NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
511650 | 2l9q | 17482 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 29.383 4.857 19.915 2 HA MET 1 HA MET 1 31.073 4.071 18.423 3 HB3 MET 1 HB2 MET 1 30.429 2.564 16.556 4 HG3 MET 1 HG2 MET 1 30.927 1.802 19.079 5 HE1 MET 1 HE1 MET 1 27.386 0.348 17.355 6 HE2 MET 1 HE2 MET 1 28.838 -0.653 17.333 7 HE3 MET 1 HE3 MET 1 27.506 -1.056 18.417 8 H SER 2 H SER 2 30.893 6.381 18.126 9 HA SER 2 HA SER 2 30.497 7.134 15.458 10 HB3 SER 2 HB2 SER 2 28.515 8.803 16.624 11 HG SER 2 HG SER 2 27.412 6.992 15.043 12 H ASP 3 H ASP 3 30.172 9.747 15.455 13 HA ASP 3 HA ASP 3 31.177 11.243 17.591 14 HB3 ASP 3 HB2 ASP 3 33.388 11.154 15.645 15 H ALA 4 H ALA 4 30.069 13.018 17.094 16 HA ALA 4 HA ALA 4 30.802 14.717 14.990 17 HB1 ALA 4 HB1 ALA 4 28.781 12.732 14.319 18 HB2 ALA 4 HB2 ALA 4 28.244 14.388 14.035 19 HB3 ALA 4 HB3 ALA 4 29.719 13.796 13.270 20 H GLY 5 H GLY 5 29.006 16.479 14.658 21 HA2 GLY 5 HA2 GLY 5 28.589 17.772 17.066 22 HA3 GLY 5 HA3 GLY 5 27.683 18.105 15.598 23 H ARG 6 H ARG 6 26.967 17.927 18.543 24 HA ARG 6 HA ARG 6 24.716 16.050 18.225 25 HB3 ARG 6 HB2 ARG 6 24.872 16.254 20.898 26 HG3 ARG 6 HG2 ARG 6 26.790 14.315 20.456 27 HD3 ARG 6 HD2 ARG 6 24.349 14.406 21.529 28 HE ARG 6 HE ARG 6 23.831 13.475 18.853 29 HH11 ARG 6 HH11 ARG 6 22.841 13.359 22.188 30 HH12 ARG 6 HH12 ARG 6 21.210 12.902 21.824 31 HH21 ARG 6 HH21 ARG 6 21.688 12.873 18.360 32 HH22 ARG 6 HH22 ARG 6 20.555 12.624 19.646 33 H LYS 7 H LYS 7 22.943 16.654 19.949 34 HA LYS 7 HA LYS 7 22.191 19.396 19.351 35 HB3 LYS 7 HB2 LYS 7 19.995 18.791 20.126 36 HG3 LYS 7 HG2 LYS 7 21.218 17.443 18.033 37 HD3 LYS 7 HD2 LYS 7 20.111 15.564 20.023 38 HE3 LYS 7 HE2 LYS 7 19.350 14.019 18.238 39 HZ1 LYS 7 HZ1 LYS 7 17.374 15.725 17.595 40 HZ2 LYS 7 HZ2 LYS 7 17.974 16.434 19.008 41 HZ3 LYS 7 HZ3 LYS 7 17.438 14.829 19.029 42 H GLY 8 H GLY 8 20.615 20.112 21.451 43 HA2 GLY 8 HA2 GLY 8 22.386 21.271 23.250 44 HA3 GLY 8 HA3 GLY 8 20.664 21.072 23.537 45 H PHE 9 H PHE 9 21.017 18.088 23.277 46 HA PHE 9 HA PHE 9 21.337 17.546 26.041 47 HB3 PHE 9 HB2 PHE 9 21.629 15.192 24.378 48 HD1 PHE 9 HD2 PHE 9 21.670 14.540 26.842 49 HD2 PHE 9 HD1 PHE 9 18.240 16.151 24.904 50 HE1 PHE 9 HE2 PHE 9 20.240 13.630 28.626 51 HE2 PHE 9 HE1 PHE 9 16.804 15.245 26.684 52 HZ PHE 9 HZ PHE 9 17.804 13.981 28.548 53 H GLY 10 H GLY 10 23.516 17.584 23.352 54 HA2 GLY 10 HA2 GLY 10 25.520 15.854 24.214 55 HA3 GLY 10 HA3 GLY 10 25.788 17.280 23.222 56 H GLU 11 H GLU 11 25.371 19.381 24.743 57 HA GLU 11 HA GLU 11 27.626 19.626 26.324 58 HB3 GLU 11 HB2 GLU 11 25.631 21.391 27.349 59 HG3 GLU 11 HG2 GLU 11 27.203 22.488 25.183 60 H LYS 12 H LYS 12 24.271 19.122 27.407 61 HA LYS 12 HA LYS 12 24.809 18.978 30.148 62 HB3 LYS 12 HB2 LYS 12 22.630 18.006 30.388 63 HG3 LYS 12 HG2 LYS 12 21.923 19.432 27.941 64 HD3 LYS 12 HD2 LYS 12 21.412 20.459 30.682 65 HE3 LYS 12 HE2 LYS 12 19.242 20.933 29.793 66 HZ1 LYS 12 HZ1 LYS 12 21.478 22.051 28.781 67 HZ2 LYS 12 HZ2 LYS 12 19.907 22.612 28.504 68 HZ3 LYS 12 HZ3 LYS 12 20.655 21.600 27.374 69 H ALA 13 H ALA 13 24.667 16.421 27.695 70 HA ALA 13 HA ALA 13 24.972 14.195 29.303 71 HB1 ALA 13 HB1 ALA 13 26.437 13.496 27.123 72 HB2 ALA 13 HB2 ALA 13 24.676 13.448 27.209 73 HB3 ALA 13 HB3 ALA 13 25.485 14.840 26.491 74 H SER 14 H SER 14 27.558 16.118 27.779 75 HA SER 14 HA SER 14 29.701 14.692 28.904 76 HB3 SER 14 HB2 SER 14 30.361 17.481 28.529 77 HG SER 14 HG SER 14 31.019 15.000 27.429 78 H GLU 15 H GLU 15 27.649 17.185 30.178 79 HA GLU 15 HA GLU 15 29.377 17.866 32.372 80 HB3 GLU 15 HB2 GLU 15 27.226 18.991 33.222 81 HG3 GLU 15 HG2 GLU 15 27.448 20.265 30.675 82 H ALA 16 H ALA 16 26.683 15.692 31.825 83 HA ALA 16 HA ALA 16 26.128 15.062 34.517 84 HB1 ALA 16 HB1 ALA 16 24.608 14.559 32.645 85 HB2 ALA 16 HB2 ALA 16 25.731 13.316 32.090 86 HB3 ALA 16 HB3 ALA 16 24.930 13.148 33.652 87 H LEU 17 H LEU 17 28.020 13.256 32.089 88 HA LEU 17 HA LEU 17 28.931 11.238 33.776 89 HB3 LEU 17 HB2 LEU 17 29.126 11.178 31.338 90 HG LEU 17 HG LEU 17 30.154 13.628 31.256 91 HD11 LEU 17 HD11 LEU 17 32.386 13.819 31.416 92 HD12 LEU 17 HD12 LEU 17 32.678 12.232 30.706 93 HD13 LEU 17 HD13 LEU 17 32.250 12.368 32.410 94 HD21 LEU 17 HD21 LEU 17 30.896 11.394 29.370 95 HD22 LEU 17 HD22 LEU 17 30.939 13.118 28.996 96 HD23 LEU 17 HD23 LEU 17 29.400 12.327 29.338 97 H LYS 18 H LYS 18 30.285 14.432 33.107 98 HA LYS 18 HA LYS 18 32.651 14.038 34.649 99 HB3 LYS 18 HB2 LYS 18 32.182 16.783 34.553 100 HG3 LYS 18 HG2 LYS 18 33.422 15.808 32.122 101 HD3 LYS 18 HD2 LYS 18 34.033 17.574 34.421 102 HE3 LYS 18 HE2 LYS 18 36.225 16.559 32.620 103 HZ1 LYS 18 HZ1 LYS 18 36.594 18.767 33.451 104 HZ2 LYS 18 HZ2 LYS 18 37.627 17.700 34.260 105 HZ3 LYS 18 HZ3 LYS 18 36.243 18.286 35.034 106 HA PRO 19 HA PRO 19 31.325 14.879 38.746 107 HB3 PRO 19 HB2 PRO 19 33.517 14.661 39.399 108 HG3 PRO 19 HG2 PRO 19 35.250 15.476 38.081 109 HD3 PRO 19 HD2 PRO 19 34.076 14.281 36.498 110 H ASP 20 H ASP 20 29.543 16.245 37.816 111 HA ASP 20 HA ASP 20 29.663 18.988 37.461 112 HB3 ASP 20 HB2 ASP 20 27.256 17.860 38.810 113 H SER 21 H SER 21 28.471 20.590 38.962 114 HA SER 21 HA SER 21 28.500 21.824 40.872 115 HB3 SER 21 HB2 SER 21 28.993 19.631 42.749 116 HG SER 21 HG SER 21 27.207 20.500 43.689 117 H GLN 22 H GLN 22 29.860 21.956 43.109 118 HA GLN 22 HA GLN 22 32.494 22.560 42.316 119 HB3 GLN 22 HB2 GLN 22 31.267 23.652 44.195 120 HG3 GLN 22 HG2 GLN 22 32.028 21.200 45.764 121 HE21 GLN 22 HE21 GLN 22 32.376 21.646 47.807 122 HE22 GLN 22 HE22 GLN 22 31.748 22.995 48.684 123 H LYS 23 H LYS 23 31.069 19.747 43.840 124 HA LYS 23 HA LYS 23 31.884 17.682 44.335 125 HB3 LYS 23 HB2 LYS 23 34.334 17.751 42.803 126 HG3 LYS 23 HG2 LYS 23 32.285 16.391 41.407 127 HD3 LYS 23 HD2 LYS 23 34.663 15.667 43.063 128 HE3 LYS 23 HE2 LYS 23 32.484 13.831 42.155 129 HZ1 LYS 23 HZ1 LYS 23 33.861 12.141 41.680 130 HZ2 LYS 23 HZ2 LYS 23 35.035 12.616 42.799 131 HZ3 LYS 23 HZ3 LYS 23 34.959 13.366 41.284 132 H SER 24 H SER 24 33.956 16.486 45.097 133 HA SER 24 HA SER 24 35.047 18.047 47.252 134 HB3 SER 24 HB2 SER 24 36.400 15.714 47.422 135 HG SER 24 HG SER 24 35.096 15.499 49.052 136 H TYR 25 H TYR 25 35.866 17.775 44.079 137 HA TYR 25 HA TYR 25 38.607 17.380 43.993 138 HB3 TYR 25 HB2 TYR 25 38.049 19.435 42.145 139 HD1 TYR 25 HD2 TYR 25 40.277 18.057 41.868 140 HD2 TYR 25 HD1 TYR 25 36.401 16.577 40.928 141 HE1 TYR 25 HE2 TYR 25 41.285 16.380 40.379 142 HE2 TYR 25 HE1 TYR 25 37.398 14.895 39.437 143 HH TYR 25 HH TYR 25 39.537 13.748 39.126 144 H ALA 26 H ALA 26 36.794 20.099 45.158 145 HA ALA 26 HA ALA 26 38.604 22.173 45.004 146 HB1 ALA 26 HB1 ALA 26 36.285 21.530 46.633 147 HB2 ALA 26 HB2 ALA 26 37.462 22.527 47.488 148 HB3 ALA 26 HB3 ALA 26 36.797 23.073 45.949 149 H GLU 27 H GLU 27 38.360 19.685 47.533 150 HA GLU 27 HA GLU 27 40.648 20.683 48.953 151 HB3 GLU 27 HB2 GLU 27 39.879 17.920 49.518 152 HG3 GLU 27 HG2 GLU 27 39.473 20.265 51.327 153 H GLN 28 H GLN 28 40.001 18.078 46.673 154 HA GLN 28 HA GLN 28 42.367 16.647 46.875 155 HB3 GLN 28 HB2 GLN 28 41.933 15.874 44.603 156 HG3 GLN 28 HG2 GLN 28 39.232 16.300 45.831 157 HE21 GLN 28 HE21 GLN 28 37.756 14.732 45.271 158 HE22 GLN 28 HE22 GLN 28 38.019 13.616 43.978 159 H GLY 29 H GLY 29 41.641 19.376 44.699 160 HA2 GLY 29 HA2 GLY 29 44.177 19.528 43.507 161 HA3 GLY 29 HA3 GLY 29 43.024 20.850 43.613 162 H LYS 30 H LYS 30 42.861 21.459 46.200 163 HA LYS 30 HA LYS 30 45.059 23.026 46.729 164 HB3 LYS 30 HB2 LYS 30 44.221 23.175 49.048 165 HG3 LYS 30 HG2 LYS 30 42.220 23.273 46.826 166 HD3 LYS 30 HD2 LYS 30 41.410 22.813 49.389 167 HE3 LYS 30 HE2 LYS 30 42.001 25.694 49.083 168 HZ1 LYS 30 HZ1 LYS 30 39.452 24.675 50.190 169 HZ2 LYS 30 HZ2 LYS 30 39.682 25.924 49.072 170 HZ3 LYS 30 HZ3 LYS 30 40.126 26.144 50.690 171 H GLU 31 H GLU 31 44.311 19.882 48.240 172 HA GLU 31 HA GLU 31 46.649 19.657 49.745 173 HB3 GLU 31 HB2 GLU 31 46.183 17.196 49.706 174 HG3 GLU 31 HG2 GLU 31 43.480 17.956 50.155 175 H TYR 32 H TYR 32 46.024 18.975 46.375 176 HA TYR 32 HA TYR 32 48.238 17.390 45.771 177 HB3 TYR 32 HB2 TYR 32 47.028 19.477 43.950 178 HD1 TYR 32 HD1 TYR 32 49.228 19.607 42.787 179 HD2 TYR 32 HD2 TYR 32 47.095 15.945 43.164 180 HE1 TYR 32 HE1 TYR 32 50.595 18.633 40.988 181 HE2 TYR 32 HE2 TYR 32 48.456 14.961 41.368 182 HH TYR 32 HH TYR 32 50.758 15.367 40.368 183 H ILE 33 H ILE 33 47.903 20.930 45.595 184 HA ILE 33 HA ILE 33 50.550 21.446 44.788 185 HB ILE 33 HB ILE 33 48.866 23.327 46.433 186 HG13 ILE 33 HG12 ILE 33 48.318 22.191 43.823 187 HG21 ILE 33 HG21 ILE 33 51.023 23.727 44.368 188 HG22 ILE 33 HG22 ILE 33 50.033 25.027 45.032 189 HG23 ILE 33 HG23 ILE 33 51.103 24.105 46.088 190 HD11 ILE 33 HD11 ILE 33 46.720 24.338 45.155 191 HD12 ILE 33 HD12 ILE 33 46.173 23.021 44.119 192 HD13 ILE 33 HD13 ILE 33 46.718 22.682 45.761 193 H THR 34 H THR 34 49.044 21.578 48.012 194 HA THR 34 HA THR 34 51.241 22.351 49.497 195 HB THR 34 HB THR 34 48.664 21.343 50.067 196 HG1 THR 34 HG1 THR 34 49.470 23.192 51.029 197 HG21 THR 34 HG21 THR 34 50.812 19.933 51.657 198 HG22 THR 34 HG22 THR 34 49.714 19.166 50.511 199 HG23 THR 34 HG23 THR 34 49.081 19.892 51.988 200 H ASP 35 H ASP 35 50.452 19.201 48.186 201 HA ASP 35 HA ASP 35 52.408 17.751 49.669 202 HB3 ASP 35 HB2 ASP 35 51.667 16.636 47.059 203 H LYS 36 H LYS 36 52.405 19.500 46.643 204 HA LYS 36 HA LYS 36 54.890 18.468 45.692 205 HB3 LYS 36 HB2 LYS 36 54.780 20.385 44.097 206 HG3 LYS 36 HG2 LYS 36 52.246 19.805 43.388 207 HD3 LYS 36 HD2 LYS 36 53.920 17.511 42.854 208 HE3 LYS 36 HE2 LYS 36 52.596 19.716 41.369 209 HZ1 LYS 36 HZ1 LYS 36 53.654 18.726 39.303 210 HZ2 LYS 36 HZ2 LYS 36 54.859 18.124 40.327 211 HZ3 LYS 36 HZ3 LYS 36 54.604 19.793 40.211 212 H ALA 37 H ALA 37 53.922 21.412 47.410 213 HA ALA 37 HA ALA 37 56.400 22.705 47.421 214 HB1 ALA 37 HB1 ALA 37 55.544 23.979 49.321 215 HB2 ALA 37 HB2 ALA 37 54.322 23.812 48.060 216 HB3 ALA 37 HB3 ALA 37 54.231 22.817 49.513 217 H ASP 38 H ASP 38 55.256 19.990 49.233 218 HA ASP 38 HA ASP 38 57.241 20.178 51.308 219 HB3 ASP 38 HB2 ASP 38 55.987 17.557 50.844 220 H LYS 39 H LYS 39 56.797 18.289 48.352 221 HA LYS 39 HA LYS 39 59.104 16.675 48.682 222 HB3 LYS 39 HB2 LYS 39 58.713 16.733 45.978 223 HG3 LYS 39 HG2 LYS 39 56.666 15.063 46.962 224 HD3 LYS 39 HD2 LYS 39 59.493 14.689 46.037 225 HE3 LYS 39 HE2 LYS 39 59.017 12.934 47.714 226 HZ1 LYS 39 HZ1 LYS 39 57.036 11.984 47.808 227 HZ2 LYS 39 HZ2 LYS 39 57.206 11.395 46.232 228 HZ3 LYS 39 HZ3 LYS 39 56.502 12.910 46.497 229 H VAL 40 H VAL 40 58.493 19.547 46.664 230 HA VAL 40 HA VAL 40 61.037 19.807 45.573 231 HB VAL 40 HB VAL 40 59.160 21.117 44.757 232 HG11 VAL 40 HG11 VAL 40 57.897 22.515 45.994 233 HG12 VAL 40 HG12 VAL 40 58.528 21.569 47.344 234 HG13 VAL 40 HG13 VAL 40 59.275 23.110 46.920 235 HG21 VAL 40 HG21 VAL 40 61.380 21.957 44.286 236 HG22 VAL 40 HG22 VAL 40 60.279 23.308 44.558 237 HG23 VAL 40 HG23 VAL 40 61.409 22.823 45.822 238 H ALA 41 H ALA 41 59.776 20.897 48.674 239 HA ALA 41 HA ALA 41 62.127 22.389 49.367 240 HB1 ALA 41 HB1 ALA 41 61.092 22.616 51.563 241 HB2 ALA 41 HB2 ALA 41 59.936 22.977 50.279 242 HB3 ALA 41 HB3 ALA 41 59.868 21.426 51.117 243 H GLY 42 H GLY 42 60.739 19.294 50.471 244 HA2 GLY 42 HA2 GLY 42 62.815 18.601 52.221 245 HA3 GLY 42 HA3 GLY 42 61.716 17.465 51.452 246 H LYS 43 H LYS 43 62.495 18.151 48.750 247 HA LYS 43 HA LYS 43 64.567 16.304 48.373 248 HB3 LYS 43 HB2 LYS 43 64.630 17.814 46.085 249 HG3 LYS 43 HG2 LYS 43 62.959 16.296 45.152 250 HD3 LYS 43 HD2 LYS 43 64.180 14.234 46.660 251 HE3 LYS 43 HE2 LYS 43 64.595 15.517 43.994 252 HZ1 LYS 43 HZ1 LYS 43 66.566 14.016 45.405 253 HZ2 LYS 43 HZ2 LYS 43 66.683 14.808 43.916 254 HZ3 LYS 43 HZ3 LYS 43 66.092 13.225 43.986 255 H VAL 44 H VAL 44 64.648 19.633 49.187 256 HA VAL 44 HA VAL 44 67.246 20.228 48.163 257 HB VAL 44 HB VAL 44 65.841 21.634 50.433 258 HG11 VAL 44 HG11 VAL 44 67.110 23.596 49.378 259 HG12 VAL 44 HG12 VAL 44 68.041 22.422 50.311 260 HG13 VAL 44 HG13 VAL 44 68.060 22.363 48.548 261 HG21 VAL 44 HG21 VAL 44 64.916 23.138 48.709 262 HG22 VAL 44 HG22 VAL 44 65.550 22.066 47.461 263 HG23 VAL 44 HG23 VAL 44 64.305 21.490 48.567 264 H GLN 45 H GLN 45 69.187 20.499 49.338 265 HA GLN 45 HA GLN 45 69.324 18.872 51.789 266 HB3 GLN 45 HB2 GLN 45 71.891 18.930 50.938 267 HG3 GLN 45 HG2 GLN 45 70.169 16.961 51.320 268 HE21 GLN 45 HE21 GLN 45 68.651 15.819 50.370 269 HE22 GLN 45 HE22 GLN 45 68.402 15.667 48.667 270 HA PRO 46 HA PRO 46 70.411 23.235 52.949 271 HB3 PRO 46 HB2 PRO 46 68.265 23.665 53.647 272 HG3 PRO 46 HG2 PRO 46 66.831 21.936 54.251 273 HD3 PRO 46 HD2 PRO 46 67.571 21.147 52.216 274 H GLU 47 H GLU 47 70.745 23.771 55.591 275 HA GLU 47 HA GLU 47 73.197 22.573 56.200 276 HB3 GLU 47 HB2 GLU 47 72.714 23.564 58.545 277 HG3 GLU 47 HG2 GLU 47 72.500 25.539 56.297 278 H ASP 48 H ASP 48 69.975 21.546 56.828 279 HA ASP 48 HA ASP 48 70.947 19.087 57.994 280 HB3 ASP 48 HB2 ASP 48 68.785 20.042 59.671 281 H ASN 49 H ASN 49 69.822 17.477 57.130 282 HA ASN 49 HA ASN 49 67.036 17.329 56.976 283 HB3 ASN 49 HB2 ASN 49 67.945 17.539 54.175 284 HD21 ASN 49 HD21 ASN 49 66.112 16.759 53.374 285 HD22 ASN 49 HD22 ASN 49 64.532 17.372 53.715 286 H LYS 50 H LYS 50 66.341 15.505 55.422 287 HA LYS 50 HA LYS 50 68.172 13.654 54.405 288 HB3 LYS 50 HB2 LYS 50 67.170 12.221 56.707 289 HG3 LYS 50 HG2 LYS 50 69.954 12.830 55.737 290 HD3 LYS 50 HD2 LYS 50 69.111 11.794 58.244 291 HE3 LYS 50 HE2 LYS 50 70.047 9.758 56.285 292 HZ1 LYS 50 HZ1 LYS 50 70.559 9.244 59.118 293 HZ2 LYS 50 HZ2 LYS 50 71.701 10.160 58.272 294 HZ3 LYS 50 HZ3 LYS 50 71.315 8.599 57.749 295 H GLY 51 H GLY 51 67.163 11.761 53.575 296 HA2 GLY 51 HA2 GLY 51 64.693 10.732 54.027 297 HA3 GLY 51 HA3 GLY 51 64.355 12.144 53.036 298 H VAL 52 H VAL 52 65.300 8.885 53.053 299 HA VAL 52 HA VAL 52 66.433 8.929 50.380 300 HB VAL 52 HB VAL 52 65.755 6.514 52.057 301 HG11 VAL 52 HG11 VAL 52 66.117 6.109 49.656 302 HG12 VAL 52 HG12 VAL 52 67.708 6.863 49.785 303 HG13 VAL 52 HG13 VAL 52 67.365 5.368 50.657 304 HG21 VAL 52 HG21 VAL 52 67.263 8.029 53.273 305 HG22 VAL 52 HG22 VAL 52 68.062 6.526 52.814 306 HG23 VAL 52 HG23 VAL 52 68.375 8.003 51.903 307 H PHE 53 H PHE 53 63.389 8.373 51.914 308 HA PHE 53 HA PHE 53 62.214 6.875 49.773 309 HB3 PHE 53 HB2 PHE 53 60.166 8.115 51.260 310 HD1 PHE 53 HD2 PHE 53 62.537 5.282 51.818 311 HD2 PHE 53 HD1 PHE 53 58.519 6.535 51.184 312 HE1 PHE 53 HE2 PHE 53 61.797 2.937 51.900 313 HE2 PHE 53 HE1 PHE 53 57.773 4.191 51.266 314 HZ PHE 53 HZ PHE 53 59.412 2.389 51.623 315 H GLN 54 H GLN 54 62.493 10.254 50.621 316 HA GLN 54 HA GLN 54 60.490 11.336 49.012 317 HB3 GLN 54 HB2 GLN 54 62.577 13.173 48.901 318 HG3 GLN 54 HG2 GLN 54 61.358 13.616 51.361 319 HE21 GLN 54 HE21 GLN 54 60.777 13.801 47.879 320 HE22 GLN 54 HE22 GLN 54 60.527 15.509 47.832 321 H GLY 55 H GLY 55 63.554 9.960 48.174 322 HA2 GLY 55 HA2 GLY 55 63.627 11.158 45.537 323 HA3 GLY 55 HA3 GLY 55 64.749 9.967 46.176 324 H VAL 56 H VAL 56 63.445 7.788 46.697 325 HA VAL 56 HA VAL 56 62.820 6.665 44.207 326 HB VAL 56 HB VAL 56 63.603 5.271 46.020 327 HG11 VAL 56 HG11 VAL 56 61.735 6.695 47.553 328 HG12 VAL 56 HG12 VAL 56 61.204 5.013 47.574 329 HG13 VAL 56 HG13 VAL 56 62.836 5.431 48.098 330 HG21 VAL 56 HG21 VAL 56 60.831 4.257 45.674 331 HG22 VAL 56 HG22 VAL 56 61.808 4.514 44.228 332 HG23 VAL 56 HG23 VAL 56 62.373 3.420 45.491 333 H HIS 57 H HIS 57 60.852 8.320 46.524 334 HA HIS 57 HA HIS 57 58.357 7.349 45.417 335 HB3 HIS 57 HB2 HIS 57 58.658 9.650 47.340 336 HD1 HIS 57 HD1 HIS 57 56.396 7.332 45.599 337 HD2 HIS 57 HD2 HIS 57 56.290 9.758 48.970 338 HE1 HIS 57 HE1 HIS 57 53.963 7.529 46.209 339 H ASP 58 H ASP 58 60.504 10.030 45.013 340 HA ASP 58 HA ASP 58 58.804 11.969 43.972 341 HB3 ASP 58 HB2 ASP 58 61.663 11.351 43.197 342 H SER 59 H SER 59 59.913 8.999 42.588 343 HA SER 59 HA SER 59 59.602 9.546 39.863 344 HB3 SER 59 HB2 SER 59 59.780 7.253 39.516 345 HG SER 59 HG SER 59 61.339 6.640 40.878 346 H ALA 60 H ALA 60 57.268 8.983 42.360 347 HA ALA 60 HA ALA 60 55.077 8.257 40.709 348 HB1 ALA 60 HB1 ALA 60 54.949 9.592 43.407 349 HB2 ALA 60 HB2 ALA 60 53.707 8.603 42.637 350 HB3 ALA 60 HB3 ALA 60 55.218 7.865 43.169 351 H GLU 61 H GLU 61 56.574 11.275 41.498 352 HA GLU 61 HA GLU 61 54.529 13.097 41.160 353 HB3 GLU 61 HB2 GLU 61 57.239 13.594 39.969 354 HG3 GLU 61 HG2 GLU 61 56.526 15.601 41.768 355 H LYS 62 H LYS 62 56.192 11.186 38.767 356 HA LYS 62 HA LYS 62 55.600 12.575 36.440 357 HB3 LYS 62 HB2 LYS 62 55.402 9.589 36.482 358 HG3 LYS 62 HG2 LYS 62 55.641 11.349 34.433 359 HD3 LYS 62 HD2 LYS 62 58.094 10.636 33.695 360 HE3 LYS 62 HE2 LYS 62 57.132 13.007 35.230 361 HZ1 LYS 62 HZ1 LYS 62 59.498 12.639 35.841 362 HZ2 LYS 62 HZ2 LYS 62 59.222 14.086 35.010 363 HZ3 LYS 62 HZ3 LYS 62 59.906 12.765 34.204 364 H GLY 63 H GLY 63 53.840 12.792 35.150 365 HA2 GLY 63 HA2 GLY 63 51.656 11.269 34.772 366 HA3 GLY 63 HA3 GLY 63 51.279 12.060 36.296 367 H LYS 64 H LYS 64 51.547 12.414 32.874 368 HA LYS 64 HA LYS 64 50.783 15.248 33.070 369 HB3 LYS 64 HB2 LYS 64 51.791 13.735 30.655 370 HG3 LYS 64 HG2 LYS 64 50.452 16.081 30.608 371 HD3 LYS 64 HD2 LYS 64 52.928 17.352 30.063 372 HE3 LYS 64 HE2 LYS 64 50.594 17.762 31.863 373 HZ1 LYS 64 HZ1 LYS 64 52.445 19.928 31.984 374 HZ2 LYS 64 HZ2 LYS 64 53.078 18.535 32.703 375 HZ3 LYS 64 HZ3 LYS 64 51.602 19.164 33.236 376 H ASP 65 H ASP 65 50.043 12.318 31.180 377 HA ASP 65 HA ASP 65 48.108 11.549 30.263 378 HB3 ASP 65 HB2 ASP 65 46.110 11.856 31.439 379 H ASN 66 H ASN 66 48.056 12.149 28.184 380 HA ASN 66 HA ASN 66 47.433 14.913 27.483 381 HB3 ASN 66 HB2 ASN 66 47.768 13.213 25.191 382 HD21 ASN 66 HD21 ASN 66 50.738 13.891 25.390 383 HD22 ASN 66 HD22 ASN 66 50.796 15.571 24.987 384 H ALA 67 H ALA 67 46.185 14.709 25.098 385 HA ALA 67 HA ALA 67 43.555 13.679 25.874 386 HB1 ALA 67 HB1 ALA 67 43.851 15.291 23.414 387 HB2 ALA 67 HB2 ALA 67 42.617 15.354 24.674 388 HB3 ALA 67 HB3 ALA 67 44.190 16.105 24.942 389 H GLU 68 H GLU 68 42.192 12.988 23.869 390 HA GLU 68 HA GLU 68 43.555 11.693 21.729 391 HB3 GLU 68 HB2 GLU 68 42.259 9.485 22.939 392 HG3 GLU 68 HG2 GLU 68 44.896 8.969 23.323 393 H GLY 69 H GLY 69 42.060 10.485 20.319 394 HA2 GLY 69 HA2 GLY 69 39.324 11.562 20.586 395 HA3 GLY 69 HA3 GLY 69 40.119 11.220 19.055 396 H GLN 70 H GLN 70 39.258 9.501 22.061 397 HA GLN 70 HA GLN 70 37.754 7.544 20.588 398 HB3 GLN 70 HB2 GLN 70 39.892 6.263 22.186 399 HG3 GLN 70 HG2 GLN 70 39.472 5.379 19.449 400 HE21 GLN 70 HE21 GLN 70 37.943 3.105 20.336 401 HE22 GLN 70 HE22 GLN 70 38.998 2.142 21.306 402 H GLY 71 H GLY 71 36.837 5.856 22.068 403 HA2 GLY 71 HA2 GLY 71 36.700 5.366 24.572 404 HA3 GLY 71 HA3 GLY 71 36.334 7.080 24.703 405 H GLU 72 H GLU 72 34.257 7.242 25.243 406 HA GLU 72 HA GLU 72 32.301 5.353 24.263 407 HB3 GLU 72 HB2 GLU 72 30.860 7.297 25.540 408 HG3 GLU 72 HG2 GLU 72 30.903 4.849 26.041 409 H SER 73 H SER 73 30.074 6.524 23.677 410 HA SER 73 HA SER 73 30.369 8.841 21.996 411 HB3 SER 73 HB2 SER 73 30.557 7.875 19.978 412 HG SER 73 HG SER 73 30.723 5.396 21.347 413 H LEU 74 H LEU 74 28.693 9.823 23.015 414 HA LEU 74 HA LEU 74 26.337 8.676 23.913 415 HB3 LEU 74 HB2 LEU 74 26.843 11.466 22.894 416 HG LEU 74 HG LEU 74 24.412 11.107 23.023 417 HD11 LEU 74 HD11 LEU 74 23.440 9.949 24.648 418 HD12 LEU 74 HD12 LEU 74 24.220 10.923 25.893 419 HD13 LEU 74 HD13 LEU 74 25.053 9.522 25.220 420 HD21 LEU 74 HD21 LEU 74 24.166 12.824 25.072 421 HD22 LEU 74 HD22 LEU 74 24.736 13.296 23.471 422 HD23 LEU 74 HD23 LEU 74 25.895 12.974 24.762 423 H ALA 75 H ALA 75 27.279 9.578 20.696 424 HA ALA 75 HA ALA 75 24.856 9.873 19.407 425 HB1 ALA 75 HB1 ALA 75 27.577 9.219 18.641 426 HB2 ALA 75 HB2 ALA 75 26.383 8.448 17.596 427 HB3 ALA 75 HB3 ALA 75 26.371 10.200 17.806 428 H ASP 76 H ASP 76 26.368 6.970 20.615 429 HA ASP 76 HA ASP 76 24.658 5.157 19.196 430 HB3 ASP 76 HB2 ASP 76 25.895 4.153 21.660 431 H GLN 77 H GLN 77 24.661 6.681 22.361 432 HA GLN 77 HA GLN 77 22.482 5.127 23.383 433 HB3 GLN 77 HB2 GLN 77 22.550 7.407 24.920 434 HG3 GLN 77 HG2 GLN 77 24.614 5.857 25.955 435 HE21 GLN 77 HE21 GLN 77 23.778 7.122 27.650 436 HE22 GLN 77 HE22 GLN 77 22.355 6.646 28.506 437 H ALA 78 H ALA 78 22.811 8.069 21.564 438 HA ALA 78 HA ALA 78 20.195 9.085 22.079 439 HB1 ALA 78 HB1 ALA 78 21.137 10.872 21.161 440 HB2 ALA 78 HB2 ALA 78 22.513 9.909 20.622 441 HB3 ALA 78 HB3 ALA 78 21.087 10.063 19.594 442 H ARG 79 H ARG 79 21.637 7.317 19.347 443 HA ARG 79 HA ARG 79 19.386 7.195 17.718 444 HB3 ARG 79 HB2 ARG 79 20.571 4.848 17.126 445 HG3 ARG 79 HG2 ARG 79 22.415 6.577 16.053 446 HD3 ARG 79 HD2 ARG 79 19.640 6.133 14.972 447 HE ARG 79 HE ARG 79 21.803 7.342 13.782 448 HH11 ARG 79 HH11 ARG 79 19.822 4.549 13.157 449 HH12 ARG 79 HH12 ARG 79 20.023 4.630 11.438 450 HH21 ARG 79 HH21 ARG 79 22.075 7.459 11.521 451 HH22 ARG 79 HH22 ARG 79 21.305 6.285 10.509 452 H ASP 80 H ASP 80 20.159 5.443 20.607 453 HA ASP 80 HA ASP 80 18.261 3.332 20.206 454 HB3 ASP 80 HB2 ASP 80 18.972 3.883 22.985 455 H TYR 81 H TYR 81 18.311 6.351 22.062 456 HA TYR 81 HA TYR 81 15.717 5.986 23.182 457 HB3 TYR 81 HB2 TYR 81 17.331 8.524 22.848 458 HD1 TYR 81 HD2 TYR 81 14.550 6.844 24.664 459 HD2 TYR 81 HD1 TYR 81 16.504 10.511 23.753 460 HE1 TYR 81 HE2 TYR 81 12.729 8.080 25.762 461 HE2 TYR 81 HE1 TYR 81 14.690 11.758 24.850 462 HH TYR 81 HH TYR 81 12.850 10.924 26.879 463 H MET 82 H MET 82 16.977 7.769 20.397 464 HA MET 82 HA MET 82 14.585 9.054 19.675 465 HB3 MET 82 HB2 MET 82 15.798 8.809 17.289 466 HG3 MET 82 HG2 MET 82 17.366 10.702 18.045 467 HE1 MET 82 HE1 MET 82 16.544 11.218 15.964 468 HE2 MET 82 HE2 MET 82 15.052 12.066 15.557 469 HE3 MET 82 HE3 MET 82 16.334 12.906 16.429 470 H GLY 83 H GLY 83 16.053 6.085 18.337 471 HA2 GLY 83 HA2 GLY 83 13.968 5.414 16.608 472 HA3 GLY 83 HA3 GLY 83 15.104 4.268 17.305 473 H ALA 84 H ALA 84 14.280 4.915 20.056 474 HA ALA 84 HA ALA 84 12.181 3.000 20.282 475 HB1 ALA 84 HB1 ALA 84 13.616 2.918 22.080 476 HB2 ALA 84 HB2 ALA 84 13.728 4.674 22.209 477 HB3 ALA 84 HB3 ALA 84 12.271 3.842 22.751 478 H ALA 85 H ALA 85 12.339 6.493 20.294 479 HA ALA 85 HA ALA 85 9.763 6.973 21.380 480 HB1 ALA 85 HB1 ALA 85 10.037 9.243 20.526 481 HB2 ALA 85 HB2 ALA 85 11.499 8.689 21.341 482 HB3 ALA 85 HB3 ALA 85 11.431 8.724 19.579 483 H LYS 86 H LYS 86 10.961 6.426 18.121 484 HA LYS 86 HA LYS 86 8.625 7.190 16.732 485 HB3 LYS 86 HB2 LYS 86 9.572 5.735 14.896 486 HG3 LYS 86 HG2 LYS 86 10.741 8.097 16.031 487 HD3 LYS 86 HD2 LYS 86 12.594 5.965 15.236 488 HE3 LYS 86 HE2 LYS 86 13.100 8.761 14.239 489 HZ1 LYS 86 HZ1 LYS 86 14.612 6.877 12.912 490 HZ2 LYS 86 HZ2 LYS 86 14.695 6.437 14.543 491 HZ3 LYS 86 HZ3 LYS 86 15.156 7.991 14.062 492 H SER 87 H SER 87 9.822 3.943 17.604 493 HA SER 87 HA SER 87 7.569 2.532 16.729 494 HB3 SER 87 HB2 SER 87 9.085 1.533 19.100 495 HG SER 87 HG SER 87 9.096 -0.343 17.709 496 H LYS 88 H LYS 88 8.336 3.958 19.871 497 HA LYS 88 HA LYS 88 6.057 2.951 21.224 498 HB3 LYS 88 HB2 LYS 88 6.580 4.839 22.852 499 HG3 LYS 88 HG2 LYS 88 8.771 3.925 23.566 500 HD3 LYS 88 HD2 LYS 88 7.743 1.383 23.276 501 HE3 LYS 88 HE2 LYS 88 6.448 3.097 25.303 502 HZ1 LYS 88 HZ1 LYS 88 6.358 0.829 25.737 503 HZ2 LYS 88 HZ2 LYS 88 7.625 1.359 26.723 504 HZ3 LYS 88 HZ3 LYS 88 7.962 0.560 25.270 505 H LEU 89 H LEU 89 6.725 5.972 19.514 506 HA LEU 89 HA LEU 89 4.287 7.251 20.172 507 HB3 LEU 89 HB2 LEU 89 6.174 7.653 17.856 508 HG LEU 89 HG LEU 89 5.252 10.060 17.962 509 HD11 LEU 89 HD11 LEU 89 3.912 9.638 16.113 510 HD12 LEU 89 HD12 LEU 89 3.366 8.082 16.737 511 HD13 LEU 89 HD13 LEU 89 5.014 8.262 16.133 512 HD21 LEU 89 HD21 LEU 89 2.846 10.166 18.492 513 HD22 LEU 89 HD22 LEU 89 3.836 9.802 19.906 514 HD23 LEU 89 HD23 LEU 89 2.928 8.517 19.109 515 H ASN 90 H ASN 90 5.323 5.636 17.163 516 HA ASN 90 HA ASN 90 2.933 5.819 15.775 517 HB3 ASN 90 HB2 ASN 90 4.377 3.274 15.413 518 HD21 ASN 90 HD21 ASN 90 4.587 6.393 13.780 519 HD22 ASN 90 HD22 ASN 90 3.773 5.895 12.341 520 H ASP 91 H ASP 91 3.816 3.729 18.401 521 HA ASP 91 HA ASP 91 1.732 1.813 18.017 522 HB3 ASP 91 HB2 ASP 91 2.461 1.837 20.740 523 H ALA 92 H ALA 92 2.093 4.755 19.928 524 HA ALA 92 HA ALA 92 -0.418 4.467 21.275 525 HB1 ALA 92 HB1 ALA 92 1.845 6.108 21.534 526 HB2 ALA 92 HB2 ALA 92 0.484 7.186 21.220 527 HB3 ALA 92 HB3 ALA 92 0.422 6.057 22.574 528 H VAL 93 H VAL 93 0.752 6.519 18.612 529 HA VAL 93 HA VAL 93 -1.545 7.964 18.103 530 HB VAL 93 HB VAL 93 0.406 6.906 16.053 531 HG11 VAL 93 HG11 VAL 93 -1.475 9.260 15.903 532 HG12 VAL 93 HG12 VAL 93 -0.328 8.755 14.659 533 HG13 VAL 93 HG13 VAL 93 -1.696 7.720 15.073 534 HG21 VAL 93 HG21 VAL 93 1.619 8.951 16.346 535 HG22 VAL 93 HG22 VAL 93 0.404 9.571 17.463 536 HG23 VAL 93 HG23 VAL 93 1.415 8.204 17.930 537 H GLU 94 H GLU 94 -0.579 4.900 16.551 538 HA GLU 94 HA GLU 94 -2.784 4.490 14.959 539 HB3 GLU 94 HB2 GLU 94 -2.072 1.971 16.090 540 HG3 GLU 94 HG2 GLU 94 -0.546 2.309 13.796 541 H TYR 95 H TYR 95 -2.434 3.889 18.407 542 HA TYR 95 HA TYR 95 -4.964 2.566 18.673 543 HB3 TYR 95 HB2 TYR 95 -3.267 3.833 20.833 544 HD1 TYR 95 HD1 TYR 95 -5.476 4.396 21.950 545 HD2 TYR 95 HD2 TYR 95 -4.289 0.405 21.076 546 HE1 TYR 95 HE1 TYR 95 -7.114 3.558 23.582 547 HE2 TYR 95 HE2 TYR 95 -5.924 -0.444 22.706 548 HH TYR 95 HH TYR 95 -7.094 0.873 24.995 549 H VAL 96 H VAL 96 -3.750 5.838 19.223 550 HA VAL 96 HA VAL 96 -6.089 6.888 20.402 551 HB VAL 96 HB VAL 96 -4.046 8.397 18.769 552 HG11 VAL 96 HG11 VAL 96 -6.239 9.520 19.353 553 HG12 VAL 96 HG12 VAL 96 -5.734 9.415 21.040 554 HG13 VAL 96 HG13 VAL 96 -4.774 10.344 19.888 555 HG21 VAL 96 HG21 VAL 96 -3.552 8.766 21.494 556 HG22 VAL 96 HG22 VAL 96 -3.792 7.031 21.291 557 HG23 VAL 96 HG23 VAL 96 -2.565 7.867 20.342 558 H SER 97 H SER 97 -4.903 7.037 17.047 559 HA SER 97 HA SER 97 -7.071 8.440 15.976 560 HB3 SER 97 HB2 SER 97 -6.022 6.536 14.072 561 HG SER 97 HG SER 97 -5.066 9.105 14.027 562 H GLY 98 H GLY 98 -6.663 5.052 16.727 563 HA2 GLY 98 HA2 GLY 98 -8.987 4.194 15.258 564 HA3 GLY 98 HA3 GLY 98 -8.047 3.227 16.386 565 H ARG 99 H ARG 99 -8.393 5.459 18.417 566 HA ARG 99 HA ARG 99 -10.898 4.449 19.488 567 HB3 ARG 99 HB2 ARG 99 -9.963 6.263 21.323 568 HG3 ARG 99 HG2 ARG 99 -8.590 4.096 22.124 569 HD3 ARG 99 HD2 ARG 99 -11.465 3.651 22.352 570 HE ARG 99 HE ARG 99 -9.258 3.508 24.054 571 HH11 ARG 99 HH11 ARG 99 -12.578 4.552 24.128 572 HH12 ARG 99 HH12 ARG 99 -12.781 4.221 25.817 573 HH21 ARG 99 HH21 ARG 99 -9.512 3.069 26.278 574 HH22 ARG 99 HH22 ARG 99 -11.036 3.378 27.038 575 H VAL 100 H VAL 100 -9.440 7.599 18.716 576 HA VAL 100 HA VAL 100 -11.515 9.270 19.423 577 HB VAL 100 HB VAL 100 -9.668 9.549 17.050 578 HG11 VAL 100 HG11 VAL 100 -11.906 11.132 17.870 579 HG12 VAL 100 HG12 VAL 100 -10.419 12.064 18.070 580 HG13 VAL 100 HG13 VAL 100 -10.820 11.366 16.500 581 HG21 VAL 100 HG21 VAL 100 -8.991 9.452 19.686 582 HG22 VAL 100 HG22 VAL 100 -8.075 10.301 18.442 583 HG23 VAL 100 HG23 VAL 100 -9.229 11.182 19.443 584 H HIS 101 H HIS 101 -11.140 7.332 16.508 585 HA HIS 101 HA HIS 101 -13.967 7.786 15.905 586 HB3 HIS 101 HB2 HIS 101 -11.924 7.838 13.694 587 HD1 HIS 101 HD1 HIS 101 -14.315 10.491 13.479 588 HD2 HIS 101 HD2 HIS 101 -14.323 6.439 12.559 589 HE1 HIS 101 HE1 HIS 101 -16.236 10.166 11.888 590 H GLY 102 H GLY 102 -14.082 5.630 16.841 591 HA2 GLY 102 HA2 GLY 102 -14.476 3.599 15.073 592 HA3 GLY 102 HA3 GLY 102 -12.778 3.443 15.495 593 H GLU 103 H GLU 103 -12.412 3.587 17.982 594 HA GLU 103 HA GLU 103 -14.141 1.555 19.153 595 HB3 GLU 103 HB2 GLU 103 -11.633 2.717 20.357 596 HG3 GLU 103 HG2 GLU 103 -13.420 0.831 21.329 597 H GLU 104 H GLU 104 -15.473 3.923 18.943 598 HA GLU 104 HA GLU 104 -16.183 4.436 21.656 599 HB3 GLU 104 HB2 GLU 104 -15.308 6.932 20.280 600 HG3 GLU 104 HG2 GLU 104 -15.777 6.028 23.056 601 H ASP 105 H ASP 105 -18.026 5.907 21.834 602 HA ASP 105 HA ASP 105 -20.024 5.397 19.996 603 HB3 ASP 105 HB2 ASP 105 -20.927 7.705 21.078 604 HA PRO 106 HA PRO 106 -19.558 8.149 16.613 605 HB3 PRO 106 HB2 PRO 106 -21.513 7.289 15.766 606 HG3 PRO 106 HG2 PRO 106 -23.297 6.764 17.161 607 HD3 PRO 106 HD2 PRO 106 -21.592 5.683 18.273 608 H THR 107 H THR 107 -21.017 9.305 19.527 609 HA THR 107 HA THR 107 -21.132 11.356 20.505 610 HB THR 107 HB THR 107 -19.151 12.383 18.489 611 HG1 THR 107 HG1 THR 107 -17.617 11.511 20.209 612 HG21 THR 107 HG21 THR 107 -20.101 13.928 20.182 613 HG22 THR 107 HG22 THR 107 -18.359 13.713 20.348 614 HG23 THR 107 HG23 THR 107 -19.458 12.886 21.450 615 H LYS 108 H LYS 108 -23.309 11.301 19.386 616 HA LYS 108 HA LYS 108 -23.539 13.310 17.264 617 HB3 LYS 108 HB2 LYS 108 -26.021 12.461 17.397 618 HG3 LYS 108 HG2 LYS 108 -24.448 10.224 16.382 619 HD3 LYS 108 HD2 LYS 108 -26.196 12.276 15.022 620 HE3 LYS 108 HE2 LYS 108 -24.581 10.795 13.660 621 HZ1 LYS 108 HZ1 LYS 108 -26.686 8.770 14.159 622 HZ2 LYS 108 HZ2 LYS 108 -25.187 8.745 14.943 623 HZ3 LYS 108 HZ3 LYS 108 -25.263 8.590 13.261 624 H LYS 109 H LYS 109 -23.738 15.325 17.989 625 HA LYS 109 HA LYS 109 -25.521 15.807 20.289 626 HB3 LYS 109 HB2 LYS 109 -24.131 17.896 20.644 627 HG3 LYS 109 HG2 LYS 109 -22.025 16.024 21.049 628 HD3 LYS 109 HD2 LYS 109 -22.967 18.001 22.456 629 HE3 LYS 109 HE2 LYS 109 -24.211 16.477 24.399 630 HZ1 LYS 109 HZ1 LYS 109 -26.159 17.774 23.852 631 HZ2 LYS 109 HZ2 LYS 109 -25.512 18.182 22.343 632 HZ3 LYS 109 HZ3 LYS 109 -24.778 18.748 23.759 Start of MODEL 2 1 H1 MET 1 H MET 1 41.470 -3.729 32.064 2 HA MET 1 HA MET 1 42.095 -3.569 34.392 3 HB3 MET 1 HB2 MET 1 44.479 -2.833 34.857 4 HG3 MET 1 HG2 MET 1 43.762 -5.509 33.785 5 HE1 MET 1 HE1 MET 1 45.064 -6.047 31.979 6 HE2 MET 1 HE2 MET 1 46.777 -6.463 31.973 7 HE3 MET 1 HE3 MET 1 45.632 -7.454 32.880 8 H SER 2 H SER 2 40.537 -1.888 33.539 9 HA SER 2 HA SER 2 41.791 0.763 33.774 10 HB3 SER 2 HB2 SER 2 40.717 1.616 31.935 11 HG SER 2 HG SER 2 41.388 0.296 30.455 12 H ASP 3 H ASP 3 39.661 2.378 33.858 13 HA ASP 3 HA ASP 3 37.669 1.317 35.684 14 HB3 ASP 3 HB2 ASP 3 39.386 3.649 36.548 15 H ALA 4 H ALA 4 35.997 1.899 34.400 16 HA ALA 4 HA ALA 4 35.114 4.577 34.410 17 HB1 ALA 4 HB1 ALA 4 35.219 5.056 31.998 18 HB2 ALA 4 HB2 ALA 4 36.820 4.929 32.728 19 HB3 ALA 4 HB3 ALA 4 36.181 3.595 31.767 20 H GLY 5 H GLY 5 33.298 4.763 32.514 21 HA2 GLY 5 HA2 GLY 5 31.366 2.791 33.226 22 HA3 GLY 5 HA3 GLY 5 31.149 4.080 32.051 23 H ARG 6 H ARG 6 33.818 2.759 30.927 24 HA ARG 6 HA ARG 6 32.698 0.382 29.699 25 HB3 ARG 6 HB2 ARG 6 33.403 1.374 27.396 26 HG3 ARG 6 HG2 ARG 6 31.006 2.851 28.057 27 HD3 ARG 6 HD2 ARG 6 31.836 0.622 26.255 28 HE ARG 6 HE ARG 6 29.222 0.761 27.243 29 HH11 ARG 6 HH11 ARG 6 30.911 0.670 24.200 30 HH12 ARG 6 HH12 ARG 6 29.611 -0.100 23.352 31 HH21 ARG 6 HH21 ARG 6 27.502 -0.254 26.139 32 HH22 ARG 6 HH22 ARG 6 27.673 -0.625 24.456 33 H LYS 7 H LYS 7 34.330 -0.622 28.166 34 HA LYS 7 HA LYS 7 36.384 -1.547 27.852 35 HB3 LYS 7 HB2 LYS 7 38.178 0.501 28.591 36 HG3 LYS 7 HG2 LYS 7 38.095 -0.997 26.504 37 HD3 LYS 7 HD2 LYS 7 35.801 0.301 25.948 38 HE3 LYS 7 HE2 LYS 7 37.548 2.322 25.544 39 HZ1 LYS 7 HZ1 LYS 7 37.529 2.477 22.998 40 HZ2 LYS 7 HZ2 LYS 7 37.385 0.792 23.028 41 HZ3 LYS 7 HZ3 LYS 7 38.729 1.538 23.734 42 H GLY 8 H GLY 8 38.674 -1.756 29.005 43 HA2 GLY 8 HA2 GLY 8 39.867 -2.298 30.906 44 HA3 GLY 8 HA3 GLY 8 38.666 -1.432 31.852 45 H PHE 9 H PHE 9 36.597 -2.564 32.241 46 HA PHE 9 HA PHE 9 37.137 -5.338 32.922 47 HB3 PHE 9 HB2 PHE 9 34.480 -4.451 33.619 48 HD1 PHE 9 HD1 PHE 9 37.786 -4.284 35.335 49 HD2 PHE 9 HD2 PHE 9 33.978 -6.164 35.062 50 HE1 PHE 9 HE1 PHE 9 38.324 -5.650 37.308 51 HE2 PHE 9 HE2 PHE 9 34.508 -7.534 37.035 52 HZ PHE 9 HZ PHE 9 36.683 -7.277 38.162 53 H GLY 10 H GLY 10 35.340 -3.500 30.616 54 HA2 GLY 10 HA2 GLY 10 33.309 -5.279 29.923 55 HA3 GLY 10 HA3 GLY 10 34.053 -4.129 28.823 56 H GLU 11 H GLU 11 36.503 -4.957 28.363 57 HA GLU 11 HA GLU 11 36.268 -7.054 26.576 58 HB3 GLU 11 HB2 GLU 11 38.952 -7.012 27.543 59 HG3 GLU 11 HG2 GLU 11 38.454 -5.240 25.310 60 H LYS 12 H LYS 12 37.662 -7.147 29.853 61 HA LYS 12 HA LYS 12 38.236 -9.885 29.903 62 HB3 LYS 12 HB2 LYS 12 38.452 -9.656 32.281 63 HG3 LYS 12 HG2 LYS 12 39.126 -6.863 31.769 64 HD3 LYS 12 HD2 LYS 12 41.131 -9.024 32.119 65 HE3 LYS 12 HE2 LYS 12 41.250 -6.329 32.232 66 HZ1 LYS 12 HZ1 LYS 12 40.757 -5.490 34.210 67 HZ2 LYS 12 HZ2 LYS 12 41.580 -6.715 35.034 68 HZ3 LYS 12 HZ3 LYS 12 39.970 -6.943 34.574 69 H ALA 13 H ALA 13 35.334 -8.122 30.927 70 HA ALA 13 HA ALA 13 33.889 -10.190 32.051 71 HB1 ALA 13 HB1 ALA 13 32.696 -8.313 32.347 72 HB2 ALA 13 HB2 ALA 13 33.247 -7.599 30.832 73 HB3 ALA 13 HB3 ALA 13 31.926 -8.768 30.828 74 H SER 14 H SER 14 33.853 -9.143 28.642 75 HA SER 14 HA SER 14 32.111 -11.147 27.725 76 HB3 SER 14 HB2 SER 14 33.944 -10.454 25.647 77 HG SER 14 HG SER 14 31.445 -10.626 25.903 78 H GLU 15 H GLU 15 35.516 -11.163 28.406 79 HA GLU 15 HA GLU 15 36.074 -13.574 26.942 80 HB3 GLU 15 HB2 GLU 15 38.236 -13.465 28.331 81 HG3 GLU 15 HG2 GLU 15 38.342 -10.891 27.100 82 H ALA 16 H ALA 16 35.245 -12.723 30.242 83 HA ALA 16 HA ALA 16 35.871 -15.190 31.456 84 HB1 ALA 16 HB1 ALA 16 35.477 -13.097 32.699 85 HB2 ALA 16 HB2 ALA 16 33.763 -13.204 32.293 86 HB3 ALA 16 HB3 ALA 16 34.508 -14.441 33.305 87 H LEU 17 H LEU 17 32.718 -13.903 30.386 88 HA LEU 17 HA LEU 17 31.208 -16.184 30.901 89 HB3 LEU 17 HB2 LEU 17 30.251 -13.994 30.376 90 HG LEU 17 HG LEU 17 31.821 -13.700 28.251 91 HD11 LEU 17 HD11 LEU 17 31.057 -14.480 26.287 92 HD12 LEU 17 HD12 LEU 17 29.367 -14.260 26.736 93 HD13 LEU 17 HD13 LEU 17 30.249 -15.681 27.296 94 HD21 LEU 17 HD21 LEU 17 30.277 -11.960 27.478 95 HD22 LEU 17 HD22 LEU 17 30.432 -11.964 29.234 96 HD23 LEU 17 HD23 LEU 17 28.999 -12.657 28.473 97 H LYS 18 H LYS 18 33.058 -15.280 28.029 98 HA LYS 18 HA LYS 18 32.222 -17.518 26.470 99 HB3 LYS 18 HB2 LYS 18 34.680 -16.684 25.457 100 HG3 LYS 18 HG2 LYS 18 32.510 -15.020 24.507 101 HD3 LYS 18 HD2 LYS 18 33.424 -17.305 22.908 102 HE3 LYS 18 HE2 LYS 18 34.089 -14.578 22.088 103 HZ1 LYS 18 HZ1 LYS 18 33.971 -15.815 20.250 104 HZ2 LYS 18 HZ2 LYS 18 32.298 -15.586 20.350 105 HZ3 LYS 18 HZ3 LYS 18 32.996 -16.998 20.967 106 HA PRO 19 HA PRO 19 34.899 -20.723 27.818 107 HB3 PRO 19 HB2 PRO 19 33.984 -22.047 26.178 108 HG3 PRO 19 HG2 PRO 19 33.458 -21.178 24.086 109 HD3 PRO 19 HD2 PRO 19 32.435 -19.613 25.436 110 H ASP 20 H ASP 20 37.101 -21.858 26.926 111 HA ASP 20 HA ASP 20 39.162 -20.087 27.525 112 HB3 ASP 20 HB2 ASP 20 39.591 -22.399 27.809 113 H SER 21 H SER 21 41.150 -19.946 25.911 114 HA SER 21 HA SER 21 40.215 -19.151 23.248 115 HB3 SER 21 HB2 SER 21 42.121 -17.215 23.946 116 HG SER 21 HG SER 21 40.499 -16.483 22.761 117 H GLN 22 H GLN 22 43.265 -18.778 25.041 118 HA GLN 22 HA GLN 22 44.626 -20.929 23.891 119 HB3 GLN 22 HB2 GLN 22 45.914 -18.730 22.548 120 HG3 GLN 22 HG2 GLN 22 44.484 -20.969 21.177 121 HE21 GLN 22 HE21 GLN 22 45.792 -21.747 19.369 122 HE22 GLN 22 HE22 GLN 22 46.778 -20.618 18.510 123 H LYS 23 H LYS 23 47.183 -20.165 23.747 124 HA LYS 23 HA LYS 23 47.748 -19.378 26.476 125 HB3 LYS 23 HB2 LYS 23 48.989 -21.245 25.623 126 HG3 LYS 23 HG2 LYS 23 49.494 -19.480 23.298 127 HD3 LYS 23 HD2 LYS 23 51.741 -19.954 24.336 128 HE3 LYS 23 HE2 LYS 23 51.639 -22.719 23.329 129 HZ1 LYS 23 HZ1 LYS 23 52.998 -21.197 25.423 130 HZ2 LYS 23 HZ2 LYS 23 53.633 -22.286 24.295 131 HZ3 LYS 23 HZ3 LYS 23 52.817 -22.862 25.660 132 H SER 24 H SER 24 46.794 -17.172 25.858 133 HA SER 24 HA SER 24 49.027 -15.372 25.427 134 HB3 SER 24 HB2 SER 24 48.431 -14.526 23.422 135 HG SER 24 HG SER 24 48.262 -16.585 22.719 136 H TYR 25 H TYR 25 47.715 -12.993 25.238 137 HA TYR 25 HA TYR 25 47.066 -12.345 27.824 138 HB3 TYR 25 HB2 TYR 25 45.545 -10.573 26.308 139 HD1 TYR 25 HD2 TYR 25 49.144 -11.356 26.932 140 HD2 TYR 25 HD1 TYR 25 46.034 -8.459 27.108 141 HE1 TYR 25 HE2 TYR 25 50.677 -9.788 28.044 142 HE2 TYR 25 HE1 TYR 25 47.559 -6.881 28.221 143 HH TYR 25 HH TYR 25 50.086 -7.546 29.764 144 H ALA 26 H ALA 26 44.978 -13.612 25.312 145 HA ALA 26 HA ALA 26 42.469 -13.082 26.327 146 HB1 ALA 26 HB1 ALA 26 42.979 -15.790 25.206 147 HB2 ALA 26 HB2 ALA 26 41.673 -14.654 24.869 148 HB3 ALA 26 HB3 ALA 26 43.275 -14.382 24.185 149 H GLU 27 H GLU 27 44.628 -15.783 27.146 150 HA GLU 27 HA GLU 27 42.802 -16.870 29.077 151 HB3 GLU 27 HB2 GLU 27 45.327 -17.919 29.619 152 HG3 GLU 27 HG2 GLU 27 43.552 -19.419 29.466 153 H GLN 28 H GLN 28 45.670 -14.829 29.155 154 HA GLN 28 HA GLN 28 46.214 -14.844 31.874 155 HB3 GLN 28 HB2 GLN 28 47.274 -12.668 31.530 156 HG3 GLN 28 HG2 GLN 28 47.705 -14.170 28.976 157 HE21 GLN 28 HE21 GLN 28 50.408 -14.613 29.602 158 HE22 GLN 28 HE22 GLN 28 51.223 -13.089 29.579 159 H GLY 29 H GLY 29 44.087 -12.611 30.085 160 HA2 GLY 29 HA2 GLY 29 43.212 -11.138 32.305 161 HA3 GLY 29 HA3 GLY 29 42.343 -11.298 30.786 162 H LYS 30 H LYS 30 41.591 -13.847 30.649 163 HA LYS 30 HA LYS 30 39.342 -14.041 32.222 164 HB3 LYS 30 HB2 LYS 30 39.273 -16.427 31.591 165 HG3 LYS 30 HG2 LYS 30 40.049 -14.445 29.491 166 HD3 LYS 30 HD2 LYS 30 40.549 -17.091 29.107 167 HE3 LYS 30 HE2 LYS 30 38.774 -18.031 27.777 168 HZ1 LYS 30 HZ1 LYS 30 37.092 -18.364 29.459 169 HZ2 LYS 30 HZ2 LYS 30 37.646 -17.030 30.337 170 HZ3 LYS 30 HZ3 LYS 30 38.623 -18.400 30.174 171 H GLU 31 H GLU 31 42.410 -15.792 32.728 172 HA GLU 31 HA GLU 31 41.713 -17.040 35.119 173 HB3 GLU 31 HB2 GLU 31 44.521 -16.159 34.892 174 HG3 GLU 31 HG2 GLU 31 43.282 -18.899 34.986 175 H TYR 32 H TYR 32 42.876 -13.797 34.490 176 HA TYR 32 HA TYR 32 43.647 -13.034 37.052 177 HB3 TYR 32 HB2 TYR 32 42.249 -11.253 35.052 178 HD1 TYR 32 HD2 TYR 32 41.490 -9.902 37.031 179 HD2 TYR 32 HD1 TYR 32 45.604 -10.598 36.196 180 HE1 TYR 32 HE2 TYR 32 42.101 -8.018 38.491 181 HE2 TYR 32 HE1 TYR 32 46.225 -8.718 37.654 182 HH TYR 32 HH TYR 32 43.787 -6.620 39.085 183 H ILE 33 H ILE 33 40.452 -12.771 35.511 184 HA ILE 33 HA ILE 33 39.148 -11.655 37.756 185 HB ILE 33 HB ILE 33 37.805 -13.332 35.645 186 HG13 ILE 33 HG12 ILE 33 39.293 -10.862 35.339 187 HG21 ILE 33 HG21 ILE 33 35.948 -11.720 36.052 188 HG22 ILE 33 HG22 ILE 33 36.355 -12.719 37.448 189 HG23 ILE 33 HG23 ILE 33 36.895 -11.043 37.377 190 HD11 ILE 33 HD11 ILE 33 37.714 -12.216 33.193 191 HD12 ILE 33 HD12 ILE 33 39.229 -11.322 33.069 192 HD13 ILE 33 HD13 ILE 33 39.206 -12.920 33.815 193 H THR 34 H THR 34 39.203 -14.989 36.502 194 HA THR 34 HA THR 34 37.612 -16.233 38.357 195 HB THR 34 HB THR 34 38.919 -18.292 37.957 196 HG1 THR 34 HG1 THR 34 41.005 -17.698 37.767 197 HG21 THR 34 HG21 THR 34 38.507 -18.454 35.590 198 HG22 THR 34 HG22 THR 34 38.538 -16.698 35.422 199 HG23 THR 34 HG23 THR 34 37.233 -17.476 36.316 200 H ASP 35 H ASP 35 41.120 -15.682 38.609 201 HA ASP 35 HA ASP 35 41.540 -16.862 41.088 202 HB3 ASP 35 HB2 ASP 35 43.063 -14.382 40.599 203 H LYS 36 H LYS 36 40.293 -13.680 40.285 204 HA LYS 36 HA LYS 36 40.397 -12.651 42.945 205 HB3 LYS 36 HB2 LYS 36 38.921 -10.865 42.052 206 HG3 LYS 36 HG2 LYS 36 40.474 -10.486 39.870 207 HD3 LYS 36 HD2 LYS 36 41.990 -10.032 42.311 208 HE3 LYS 36 HE2 LYS 36 40.729 -8.394 40.144 209 HZ1 LYS 36 HZ1 LYS 36 42.288 -6.751 41.758 210 HZ2 LYS 36 HZ2 LYS 36 41.161 -7.499 42.775 211 HZ3 LYS 36 HZ3 LYS 36 40.634 -6.614 41.432 212 H ALA 37 H ALA 37 37.873 -14.146 40.962 213 HA ALA 37 HA ALA 37 35.785 -13.844 42.850 214 HB1 ALA 37 HB1 ALA 37 35.273 -14.232 40.532 215 HB2 ALA 37 HB2 ALA 37 36.101 -15.789 40.568 216 HB3 ALA 37 HB3 ALA 37 34.617 -15.556 41.494 217 H ASP 38 H ASP 38 38.382 -16.106 42.534 218 HA ASP 38 HA ASP 38 37.189 -18.121 44.214 219 HB3 ASP 38 HB2 ASP 38 40.102 -18.206 43.910 220 H LYS 39 H LYS 39 39.613 -15.573 44.570 221 HA LYS 39 HA LYS 39 40.335 -16.213 47.234 222 HB3 LYS 39 HB2 LYS 39 40.867 -13.539 47.021 223 HG3 LYS 39 HG2 LYS 39 42.901 -14.797 45.532 224 HD3 LYS 39 HD2 LYS 39 42.777 -13.166 47.642 225 HE3 LYS 39 HE2 LYS 39 43.543 -15.833 48.827 226 HZ1 LYS 39 HZ1 LYS 39 43.605 -14.561 50.896 227 HZ2 LYS 39 HZ2 LYS 39 43.307 -13.132 50.042 228 HZ3 LYS 39 HZ3 LYS 39 44.745 -13.986 49.785 229 H VAL 40 H VAL 40 38.096 -13.814 45.868 230 HA VAL 40 HA VAL 40 37.266 -12.688 48.299 231 HB VAL 40 HB VAL 40 36.797 -11.599 46.178 232 HG11 VAL 40 HG11 VAL 40 36.142 -14.037 45.225 233 HG12 VAL 40 HG12 VAL 40 34.534 -13.354 45.484 234 HG13 VAL 40 HG13 VAL 40 35.690 -12.521 44.443 235 HG21 VAL 40 HG21 VAL 40 35.375 -11.017 48.043 236 HG22 VAL 40 HG22 VAL 40 34.422 -11.022 46.560 237 HG23 VAL 40 HG23 VAL 40 34.302 -12.371 47.689 238 H ALA 41 H ALA 41 36.121 -15.497 46.508 239 HA ALA 41 HA ALA 41 33.853 -15.945 48.205 240 HB1 ALA 41 HB1 ALA 41 33.519 -16.813 46.094 241 HB2 ALA 41 HB2 ALA 41 35.160 -17.452 45.981 242 HB3 ALA 41 HB3 ALA 41 33.969 -18.254 47.007 243 H GLY 42 H GLY 42 37.106 -17.325 47.918 244 HA2 GLY 42 HA2 GLY 42 36.734 -19.301 49.933 245 HA3 GLY 42 HA3 GLY 42 38.276 -18.755 49.289 246 H LYS 43 H LYS 43 37.833 -15.967 49.985 247 HA LYS 43 HA LYS 43 38.931 -15.989 52.587 248 HB3 LYS 43 HB2 LYS 43 38.151 -13.416 52.302 249 HG3 LYS 43 HG2 LYS 43 40.249 -12.954 51.132 250 HD3 LYS 43 HD2 LYS 43 41.490 -14.874 52.758 251 HE3 LYS 43 HE2 LYS 43 41.988 -12.446 52.582 252 HZ1 LYS 43 HZ1 LYS 43 40.575 -10.882 53.257 253 HZ2 LYS 43 HZ2 LYS 43 40.164 -11.712 54.673 254 HZ3 LYS 43 HZ3 LYS 43 39.380 -12.079 53.218 255 H VAL 44 H VAL 44 35.687 -15.885 51.416 256 HA VAL 44 HA VAL 44 34.674 -15.118 54.064 257 HB VAL 44 HB VAL 44 33.730 -13.836 52.233 258 HG11 VAL 44 HG11 VAL 44 34.069 -15.483 50.449 259 HG12 VAL 44 HG12 VAL 44 32.776 -16.477 51.125 260 HG13 VAL 44 HG13 VAL 44 32.413 -14.879 50.471 261 HG21 VAL 44 HG21 VAL 44 31.323 -15.344 52.656 262 HG22 VAL 44 HG22 VAL 44 32.264 -15.278 54.147 263 HG23 VAL 44 HG23 VAL 44 31.797 -13.785 53.332 264 H GLN 45 H GLN 45 33.659 -16.535 55.353 265 HA GLN 45 HA GLN 45 33.178 -19.238 54.286 266 HB3 GLN 45 HB2 GLN 45 34.818 -19.525 55.910 267 HG3 GLN 45 HG2 GLN 45 33.402 -17.423 57.511 268 HE21 GLN 45 HE21 GLN 45 32.895 -19.063 59.146 269 HE22 GLN 45 HE22 GLN 45 34.120 -19.496 60.286 270 HA PRO 46 HA PRO 46 29.047 -17.449 55.418 271 HB3 PRO 46 HB2 PRO 46 28.648 -16.813 53.245 272 HG3 PRO 46 HG2 PRO 46 29.755 -17.834 51.474 273 HD3 PRO 46 HD2 PRO 46 31.551 -17.338 52.831 274 H GLU 47 H GLU 47 26.845 -18.901 54.772 275 HA GLU 47 HA GLU 47 26.884 -21.006 56.614 276 HB3 GLU 47 HB2 GLU 47 24.918 -20.643 54.350 277 HG3 GLU 47 HG2 GLU 47 23.457 -21.368 56.494 278 H ASP 48 H ASP 48 27.766 -20.902 53.291 279 HA ASP 48 HA ASP 48 28.650 -23.641 53.383 280 HB3 ASP 48 HB2 ASP 48 27.187 -23.488 50.939 281 H ASN 49 H ASN 49 30.543 -23.734 52.378 282 HA ASN 49 HA ASN 49 31.071 -21.821 50.200 283 HB3 ASN 49 HB2 ASN 49 32.279 -21.248 52.303 284 HD21 ASN 49 HD21 ASN 49 34.966 -22.927 51.348 285 HD22 ASN 49 HD22 ASN 49 35.051 -24.072 52.640 286 H LYS 50 H LYS 50 33.464 -22.694 49.307 287 HA LYS 50 HA LYS 50 33.340 -25.563 48.863 288 HB3 LYS 50 HB2 LYS 50 33.182 -23.605 46.563 289 HG3 LYS 50 HG2 LYS 50 34.284 -26.102 46.487 290 HD3 LYS 50 HD2 LYS 50 31.720 -26.568 45.100 291 HE3 LYS 50 HE2 LYS 50 33.520 -28.324 46.769 292 HZ1 LYS 50 HZ1 LYS 50 32.256 -29.930 45.062 293 HZ2 LYS 50 HZ2 LYS 50 31.036 -28.795 45.349 294 HZ3 LYS 50 HZ3 LYS 50 31.723 -29.643 46.641 295 H GLY 51 H GLY 51 35.315 -26.446 48.516 296 HA2 GLY 51 HA2 GLY 51 37.589 -26.592 48.200 297 HA3 GLY 51 HA3 GLY 51 37.510 -25.040 47.382 298 H VAL 52 H VAL 52 38.543 -26.680 50.138 299 HA VAL 52 HA VAL 52 38.651 -24.332 51.843 300 HB VAL 52 HB VAL 52 39.811 -27.079 52.324 301 HG11 VAL 52 HG11 VAL 52 39.856 -26.402 54.670 302 HG12 VAL 52 HG12 VAL 52 40.841 -25.325 53.677 303 HG13 VAL 52 HG13 VAL 52 39.246 -24.809 54.228 304 HG21 VAL 52 HG21 VAL 52 37.217 -25.944 53.358 305 HG22 VAL 52 HG22 VAL 52 37.338 -27.053 51.992 306 HG23 VAL 52 HG23 VAL 52 37.842 -27.576 53.599 307 H PHE 53 H PHE 53 40.680 -26.052 49.635 308 HA PHE 53 HA PHE 53 42.990 -24.428 50.476 309 HB3 PHE 53 HB2 PHE 53 43.741 -26.519 48.664 310 HD1 PHE 53 HD2 PHE 53 43.450 -26.503 52.375 311 HD2 PHE 53 HD1 PHE 53 46.002 -26.200 48.981 312 HE1 PHE 53 HE2 PHE 53 45.414 -26.472 53.859 313 HE2 PHE 53 HE1 PHE 53 47.970 -26.170 50.459 314 HZ PHE 53 HZ PHE 53 47.676 -26.305 52.900 315 H GLN 54 H GLN 54 40.846 -25.240 47.881 316 HA GLN 54 HA GLN 54 42.303 -24.367 45.672 317 HB3 GLN 54 HB2 GLN 54 39.676 -23.610 45.151 318 HG3 GLN 54 HG2 GLN 54 39.899 -26.396 44.677 319 HE21 GLN 54 HE21 GLN 54 38.000 -25.122 43.759 320 HE22 GLN 54 HE22 GLN 54 38.184 -24.553 42.137 321 H GLY 55 H GLY 55 40.767 -22.571 48.209 322 HA2 GLY 55 HA2 GLY 55 40.996 -20.059 46.722 323 HA3 GLY 55 HA3 GLY 55 40.214 -20.273 48.281 324 H VAL 56 H VAL 56 42.704 -21.882 49.082 325 HA VAL 56 HA VAL 56 44.071 -19.671 50.291 326 HB VAL 56 HB VAL 56 44.774 -22.610 50.305 327 HG11 VAL 56 HG11 VAL 56 46.734 -21.439 50.883 328 HG12 VAL 56 HG12 VAL 56 45.841 -20.262 51.850 329 HG13 VAL 56 HG13 VAL 56 46.009 -21.924 52.417 330 HG21 VAL 56 HG21 VAL 56 43.360 -20.982 52.412 331 HG22 VAL 56 HG22 VAL 56 42.549 -22.046 51.264 332 HG23 VAL 56 HG23 VAL 56 43.679 -22.716 52.441 333 H HIS 57 H HIS 57 45.100 -22.254 48.058 334 HA HIS 57 HA HIS 57 47.654 -21.157 47.561 335 HB3 HIS 57 HB2 HIS 57 46.450 -22.777 45.409 336 HD1 HIS 57 HD1 HIS 57 48.549 -22.960 44.093 337 HD2 HIS 57 HD2 HIS 57 49.177 -23.652 48.141 338 HE1 HIS 57 HE1 HIS 57 50.952 -23.677 44.287 339 H ASP 58 H ASP 58 44.515 -20.522 46.242 340 HA ASP 58 HA ASP 58 45.217 -19.388 43.781 341 HB3 ASP 58 HB2 ASP 58 42.915 -18.651 45.601 342 H SER 59 H SER 59 45.520 -18.191 47.008 343 HA SER 59 HA SER 59 45.618 -15.426 46.467 344 HB3 SER 59 HB2 SER 59 47.153 -16.801 48.672 345 HG SER 59 HG SER 59 46.505 -14.861 49.770 346 H ALA 60 H ALA 60 47.925 -17.979 46.062 347 HA ALA 60 HA ALA 60 50.283 -16.418 45.986 348 HB1 ALA 60 HB1 ALA 60 49.840 -19.049 46.046 349 HB2 ALA 60 HB2 ALA 60 50.140 -18.858 44.318 350 HB3 ALA 60 HB3 ALA 60 51.360 -18.349 45.486 351 H GLU 61 H GLU 61 47.752 -16.989 43.694 352 HA GLU 61 HA GLU 61 49.305 -16.075 41.426 353 HB3 GLU 61 HB2 GLU 61 46.774 -16.089 40.499 354 HG3 GLU 61 HG2 GLU 61 47.457 -18.829 40.652 355 H LYS 62 H LYS 62 46.629 -14.881 43.419 356 HA LYS 62 HA LYS 62 46.064 -12.519 42.103 357 HB3 LYS 62 HB2 LYS 62 46.109 -12.315 45.045 358 HG3 LYS 62 HG2 LYS 62 43.524 -12.193 44.389 359 HD3 LYS 62 HD2 LYS 62 44.965 -9.758 43.587 360 HE3 LYS 62 HE2 LYS 62 43.554 -9.637 46.081 361 HZ1 LYS 62 HZ1 LYS 62 43.480 -7.698 44.935 362 HZ2 LYS 62 HZ2 LYS 62 42.006 -8.343 44.412 363 HZ3 LYS 62 HZ3 LYS 62 43.372 -8.444 43.420 364 H GLY 63 H GLY 63 46.852 -10.432 42.155 365 HA2 GLY 63 HA2 GLY 63 48.491 -9.055 43.683 366 HA3 GLY 63 HA3 GLY 63 49.640 -10.202 43.012 367 H LYS 64 H LYS 64 47.718 -7.391 42.419 368 HA LYS 64 HA LYS 64 49.365 -6.465 40.349 369 HB3 LYS 64 HB2 LYS 64 47.052 -6.654 38.795 370 HG3 LYS 64 HG2 LYS 64 48.530 -8.613 37.722 371 HD3 LYS 64 HD2 LYS 64 48.016 -6.049 37.104 372 HE3 LYS 64 HE2 LYS 64 51.008 -6.165 37.465 373 HZ1 LYS 64 HZ1 LYS 64 49.446 -4.631 35.782 374 HZ2 LYS 64 HZ2 LYS 64 51.078 -4.392 36.162 375 HZ3 LYS 64 HZ3 LYS 64 49.878 -3.602 37.054 376 H ASP 65 H ASP 65 48.005 -4.681 39.017 377 HA ASP 65 HA ASP 65 46.262 -3.287 40.935 378 HB3 ASP 65 HB2 ASP 65 48.536 -2.320 41.025 379 H ASN 66 H ASN 66 45.615 -1.076 39.522 380 HA ASN 66 HA ASN 66 44.556 -2.075 36.966 381 HB3 ASN 66 HB2 ASN 66 42.441 -0.824 37.464 382 HD21 ASN 66 HD21 ASN 66 40.756 -1.733 39.084 383 HD22 ASN 66 HD22 ASN 66 40.870 -3.434 39.372 384 H ALA 67 H ALA 67 43.331 0.041 35.950 385 HA ALA 67 HA ALA 67 45.049 2.385 36.232 386 HB1 ALA 67 HB1 ALA 67 45.735 2.485 34.000 387 HB2 ALA 67 HB2 ALA 67 45.969 0.795 34.450 388 HB3 ALA 67 HB3 ALA 67 44.566 1.266 33.490 389 H GLU 68 H GLU 68 44.184 3.890 34.146 390 HA GLU 68 HA GLU 68 41.397 4.353 34.882 391 HB3 GLU 68 HB2 GLU 68 41.688 6.534 33.782 392 HG3 GLU 68 HG2 GLU 68 44.195 6.393 35.325 393 H GLY 69 H GLY 69 39.758 4.722 33.305 394 HA2 GLY 69 HA2 GLY 69 40.284 3.297 30.772 395 HA3 GLY 69 HA3 GLY 69 38.733 3.309 31.599 396 H GLN 70 H GLN 70 37.888 3.976 29.504 397 HA GLN 70 HA GLN 70 38.229 6.870 29.073 398 HB3 GLN 70 HB2 GLN 70 37.878 6.551 26.710 399 HG3 GLN 70 HG2 GLN 70 39.722 4.987 26.082 400 HE21 GLN 70 HE21 GLN 70 41.602 5.538 28.587 401 HE22 GLN 70 HE22 GLN 70 42.093 7.168 28.294 402 H GLY 71 H GLY 71 36.196 7.366 27.343 403 HA2 GLY 71 HA2 GLY 71 33.858 6.888 29.053 404 HA3 GLY 71 HA3 GLY 71 34.022 8.181 27.873 405 H GLU 72 H GLU 72 32.089 7.727 26.835 406 HA GLU 72 HA GLU 72 32.202 5.423 25.043 407 HB3 GLU 72 HB2 GLU 72 29.680 6.079 26.561 408 HG3 GLU 72 HG2 GLU 72 29.510 3.472 25.926 409 H SER 73 H SER 73 30.622 5.591 23.261 410 HA SER 73 HA SER 73 30.467 8.349 22.356 411 HB3 SER 73 HB2 SER 73 31.032 7.318 20.440 412 HG SER 73 HG SER 73 31.344 5.201 20.388 413 H LEU 74 H LEU 74 28.779 9.360 23.322 414 HA LEU 74 HA LEU 74 26.324 8.284 24.023 415 HB3 LEU 74 HB2 LEU 74 27.017 11.094 23.182 416 HG LEU 74 HG LEU 74 24.568 10.843 23.147 417 HD11 LEU 74 HD11 LEU 74 25.102 9.348 25.570 418 HD12 LEU 74 HD12 LEU 74 23.660 9.382 24.555 419 HD13 LEU 74 HD13 LEU 74 23.879 10.595 25.816 420 HD21 LEU 74 HD21 LEU 74 24.186 12.517 25.125 421 HD22 LEU 74 HD22 LEU 74 25.130 12.996 23.715 422 HD23 LEU 74 HD23 LEU 74 25.948 12.507 25.201 423 H ALA 75 H ALA 75 27.500 9.292 20.918 424 HA ALA 75 HA ALA 75 25.176 9.770 19.506 425 HB1 ALA 75 HB1 ALA 75 27.905 9.019 18.867 426 HB2 ALA 75 HB2 ALA 75 26.741 8.358 17.717 427 HB3 ALA 75 HB3 ALA 75 26.797 10.095 18.014 428 H ASP 76 H ASP 76 26.474 6.741 20.652 429 HA ASP 76 HA ASP 76 24.742 5.097 19.050 430 HB3 ASP 76 HB2 ASP 76 25.871 3.916 21.499 431 H GLN 77 H GLN 77 24.739 6.367 22.335 432 HA GLN 77 HA GLN 77 22.433 4.886 23.162 433 HB3 GLN 77 HB2 GLN 77 22.568 6.991 24.899 434 HG3 GLN 77 HG2 GLN 77 24.608 5.252 25.742 435 HE21 GLN 77 HE21 GLN 77 21.998 3.415 26.217 436 HE22 GLN 77 HE22 GLN 77 21.338 4.158 27.630 437 H ALA 78 H ALA 78 22.992 7.906 21.554 438 HA ALA 78 HA ALA 78 20.477 9.109 22.103 439 HB1 ALA 78 HB1 ALA 78 21.447 10.053 19.622 440 HB2 ALA 78 HB2 ALA 78 21.535 10.836 21.201 441 HB3 ALA 78 HB3 ALA 78 22.843 9.780 20.665 442 H ARG 79 H ARG 79 21.723 7.299 19.303 443 HA ARG 79 HA ARG 79 19.388 7.414 17.756 444 HB3 ARG 79 HB2 ARG 79 20.452 5.085 16.933 445 HG3 ARG 79 HG2 ARG 79 22.251 6.597 15.737 446 HD3 ARG 79 HD2 ARG 79 19.731 7.557 14.776 447 HE ARG 79 HE ARG 79 20.838 5.316 13.410 448 HH11 ARG 79 HH11 ARG 79 21.390 8.665 14.184 449 HH12 ARG 79 HH12 ARG 79 22.373 8.961 12.788 450 HH21 ARG 79 HH21 ARG 79 22.130 5.694 11.569 451 HH22 ARG 79 HH22 ARG 79 22.792 7.270 11.299 452 H ASP 80 H ASP 80 20.248 5.448 20.479 453 HA ASP 80 HA ASP 80 18.255 3.432 20.041 454 HB3 ASP 80 HB2 ASP 80 19.061 3.673 22.805 455 H TYR 81 H TYR 81 18.469 6.419 21.889 456 HA TYR 81 HA TYR 81 15.940 6.033 23.198 457 HB3 TYR 81 HB2 TYR 81 16.764 8.786 23.181 458 HD1 TYR 81 HD1 TYR 81 14.579 7.371 24.493 459 HD2 TYR 81 HD2 TYR 81 18.595 7.945 25.778 460 HE1 TYR 81 HE1 TYR 81 13.856 7.143 26.833 461 HE2 TYR 81 HE2 TYR 81 17.883 7.717 28.122 462 HH TYR 81 HH TYR 81 15.888 7.934 29.468 463 H MET 82 H MET 82 17.111 7.707 20.347 464 HA MET 82 HA MET 82 14.739 9.198 19.855 465 HB3 MET 82 HB2 MET 82 15.824 9.077 17.413 466 HG3 MET 82 HG2 MET 82 17.624 10.769 18.395 467 HE1 MET 82 HE1 MET 82 16.919 10.962 16.144 468 HE2 MET 82 HE2 MET 82 15.228 11.002 15.645 469 HE3 MET 82 HE3 MET 82 16.152 12.501 15.749 470 H GLY 83 H GLY 83 16.057 6.263 18.302 471 HA2 GLY 83 HA2 GLY 83 13.886 5.741 16.630 472 HA3 GLY 83 HA3 GLY 83 15.010 4.528 17.228 473 H ALA 84 H ALA 84 14.328 5.026 20.032 474 HA ALA 84 HA ALA 84 12.282 3.125 20.331 475 HB1 ALA 84 HB1 ALA 84 13.512 3.134 22.222 476 HB2 ALA 84 HB2 ALA 84 13.848 4.864 22.124 477 HB3 ALA 84 HB3 ALA 84 12.298 4.301 22.751 478 H ALA 85 H ALA 85 12.240 6.659 20.680 479 HA ALA 85 HA ALA 85 9.579 6.932 21.492 480 HB1 ALA 85 HB1 ALA 85 10.760 8.875 21.761 481 HB2 ALA 85 HB2 ALA 85 11.563 8.734 20.195 482 HB3 ALA 85 HB3 ALA 85 9.877 9.245 20.280 483 H LYS 86 H LYS 86 10.983 6.466 18.324 484 HA LYS 86 HA LYS 86 8.755 7.222 16.770 485 HB3 LYS 86 HB2 LYS 86 9.822 6.030 14.953 486 HG3 LYS 86 HG2 LYS 86 12.056 6.938 14.954 487 HD3 LYS 86 HD2 LYS 86 10.163 8.775 16.424 488 HE3 LYS 86 HE2 LYS 86 12.771 9.256 15.886 489 HZ1 LYS 86 HZ1 LYS 86 12.341 9.082 13.472 490 HZ2 LYS 86 HZ2 LYS 86 12.926 10.600 13.934 491 HZ3 LYS 86 HZ3 LYS 86 11.284 10.398 13.585 492 H SER 87 H SER 87 9.863 3.977 17.755 493 HA SER 87 HA SER 87 7.666 2.574 16.726 494 HB3 SER 87 HB2 SER 87 9.044 1.606 19.200 495 HG SER 87 HG SER 87 8.978 -0.329 18.018 496 H LYS 88 H LYS 88 8.254 3.900 19.962 497 HA LYS 88 HA LYS 88 5.887 2.946 21.152 498 HB3 LYS 88 HB2 LYS 88 6.292 4.903 22.763 499 HG3 LYS 88 HG2 LYS 88 8.377 3.958 23.693 500 HD3 LYS 88 HD2 LYS 88 7.124 1.446 23.106 501 HE3 LYS 88 HE2 LYS 88 8.185 2.456 25.257 502 HZ1 LYS 88 HZ1 LYS 88 6.594 3.337 26.795 503 HZ2 LYS 88 HZ2 LYS 88 5.340 3.197 25.670 504 HZ3 LYS 88 HZ3 LYS 88 6.589 4.309 25.410 505 H LEU 89 H LEU 89 6.652 6.133 19.754 506 HA LEU 89 HA LEU 89 4.225 7.385 20.159 507 HB3 LEU 89 HB2 LEU 89 6.063 7.637 17.783 508 HG LEU 89 HG LEU 89 4.116 8.851 17.171 509 HD11 LEU 89 HD11 LEU 89 3.949 9.356 20.041 510 HD12 LEU 89 HD12 LEU 89 2.676 9.285 18.823 511 HD13 LEU 89 HD13 LEU 89 3.600 10.771 19.046 512 HD21 LEU 89 HD21 LEU 89 5.333 11.242 18.176 513 HD22 LEU 89 HD22 LEU 89 5.337 10.592 16.537 514 HD23 LEU 89 HD23 LEU 89 6.580 10.097 17.685 515 H ASN 90 H ASN 90 5.225 5.568 17.257 516 HA ASN 90 HA ASN 90 2.799 5.739 15.888 517 HB3 ASN 90 HB2 ASN 90 4.080 3.202 15.390 518 HD21 ASN 90 HD21 ASN 90 2.737 3.117 13.662 519 HD22 ASN 90 HD22 ASN 90 2.842 4.187 12.308 520 H ASP 91 H ASP 91 3.780 3.711 18.528 521 HA ASP 91 HA ASP 91 1.746 1.736 18.237 522 HB3 ASP 91 HB2 ASP 91 2.603 2.067 20.975 523 H ALA 92 H ALA 92 1.984 4.804 19.933 524 HA ALA 92 HA ALA 92 -0.535 4.462 21.297 525 HB1 ALA 92 HB1 ALA 92 0.301 7.189 21.268 526 HB2 ALA 92 HB2 ALA 92 0.290 6.046 22.612 527 HB3 ALA 92 HB3 ALA 92 1.703 6.161 21.564 528 H VAL 93 H VAL 93 0.679 6.430 18.600 529 HA VAL 93 HA VAL 93 -1.598 7.890 18.027 530 HB VAL 93 HB VAL 93 0.260 6.746 15.943 531 HG11 VAL 93 HG11 VAL 93 -1.820 7.856 15.147 532 HG12 VAL 93 HG12 VAL 93 -1.289 9.331 15.957 533 HG13 VAL 93 HG13 VAL 93 -0.339 8.662 14.628 534 HG21 VAL 93 HG21 VAL 93 1.002 9.380 16.602 535 HG22 VAL 93 HG22 VAL 93 0.840 8.506 18.125 536 HG23 VAL 93 HG23 VAL 93 1.919 7.897 16.871 537 H GLU 94 H GLU 94 -0.644 4.778 16.565 538 HA GLU 94 HA GLU 94 -2.838 4.343 14.967 539 HB3 GLU 94 HB2 GLU 94 -2.140 1.856 16.194 540 HG3 GLU 94 HG2 GLU 94 -0.646 2.152 13.847 541 H TYR 95 H TYR 95 -2.526 3.842 18.434 542 HA TYR 95 HA TYR 95 -5.065 2.542 18.714 543 HB3 TYR 95 HB2 TYR 95 -3.379 3.861 20.851 544 HD1 TYR 95 HD2 TYR 95 -5.605 4.472 21.920 545 HD2 TYR 95 HD1 TYR 95 -4.420 0.449 21.197 546 HE1 TYR 95 HE2 TYR 95 -7.262 3.694 23.562 547 HE2 TYR 95 HE1 TYR 95 -6.076 -0.340 22.836 548 HH TYR 95 HH TYR 95 -7.292 1.156 25.087 549 H VAL 96 H VAL 96 -3.837 5.820 19.180 550 HA VAL 96 HA VAL 96 -6.181 6.917 20.305 551 HB VAL 96 HB VAL 96 -4.102 8.361 18.658 552 HG11 VAL 96 HG11 VAL 96 -6.281 9.533 19.144 553 HG12 VAL 96 HG12 VAL 96 -5.848 9.453 20.853 554 HG13 VAL 96 HG13 VAL 96 -4.830 10.349 19.724 555 HG21 VAL 96 HG21 VAL 96 -3.901 7.073 21.221 556 HG22 VAL 96 HG22 VAL 96 -2.654 7.886 20.277 557 HG23 VAL 96 HG23 VAL 96 -3.665 8.813 21.385 558 H SER 97 H SER 97 -4.956 6.965 16.961 559 HA SER 97 HA SER 97 -7.102 8.350 15.825 560 HB3 SER 97 HB2 SER 97 -6.045 6.390 13.986 561 HG SER 97 HG SER 97 -5.033 8.908 13.825 562 H GLY 98 H GLY 98 -6.727 4.983 16.678 563 HA2 GLY 98 HA2 GLY 98 -9.038 4.099 15.206 564 HA3 GLY 98 HA3 GLY 98 -8.119 3.158 16.370 565 H ARG 99 H ARG 99 -8.473 5.450 18.334 566 HA ARG 99 HA ARG 99 -10.997 4.487 19.402 567 HB3 ARG 99 HB2 ARG 99 -10.069 6.342 21.199 568 HG3 ARG 99 HG2 ARG 99 -8.721 4.182 22.067 569 HD3 ARG 99 HD2 ARG 99 -11.689 4.020 22.180 570 HE ARG 99 HE ARG 99 -10.885 2.784 23.935 571 HH11 ARG 99 HH11 ARG 99 -9.220 5.838 23.818 572 HH12 ARG 99 HH12 ARG 99 -8.425 5.612 25.340 573 HH21 ARG 99 HH21 ARG 99 -9.844 2.473 25.941 574 HH22 ARG 99 HH22 ARG 99 -8.781 3.697 26.546 575 H VAL 100 H VAL 100 -9.504 7.604 18.565 576 HA VAL 100 HA VAL 100 -11.576 9.309 19.203 577 HB VAL 100 HB VAL 100 -9.699 9.511 16.844 578 HG11 VAL 100 HG11 VAL 100 -10.824 11.323 16.233 579 HG12 VAL 100 HG12 VAL 100 -11.933 11.131 17.592 580 HG13 VAL 100 HG13 VAL 100 -10.444 12.056 17.791 581 HG21 VAL 100 HG21 VAL 100 -9.303 11.178 19.235 582 HG22 VAL 100 HG22 VAL 100 -9.016 9.453 19.461 583 HG23 VAL 100 HG23 VAL 100 -8.124 10.341 18.227 584 H HIS 101 H HIS 101 -10.939 8.367 15.830 585 HA HIS 101 HA HIS 101 -12.335 7.788 14.122 586 HB3 HIS 101 HB2 HIS 101 -14.633 7.602 16.055 587 HD1 HIS 101 HD1 HIS 101 -13.155 6.589 12.775 588 HD2 HIS 101 HD2 HIS 101 -16.576 5.874 15.022 589 HE1 HIS 101 HE1 HIS 101 -14.751 5.427 11.218 590 H GLY 102 H GLY 102 -14.543 9.497 16.343 591 HA2 GLY 102 HA2 GLY 102 -15.007 11.866 16.050 592 HA3 GLY 102 HA3 GLY 102 -14.739 11.645 14.327 593 H GLU 103 H GLU 103 -16.948 12.914 14.800 594 HA GLU 103 HA GLU 103 -19.184 11.129 15.228 595 HB3 GLU 103 HB2 GLU 103 -20.328 13.424 14.358 596 HG3 GLU 103 HG2 GLU 103 -19.211 13.035 17.126 597 H GLU 104 H GLU 104 -20.088 9.946 13.690 598 HA GLU 104 HA GLU 104 -19.413 10.409 10.909 599 HB3 GLU 104 HB2 GLU 104 -20.796 8.306 10.571 600 HG3 GLU 104 HG2 GLU 104 -19.016 7.201 12.472 601 H ASP 105 H ASP 105 -20.579 11.675 9.643 602 HA ASP 105 HA ASP 105 -23.408 11.506 9.471 603 HB3 ASP 105 HB2 ASP 105 -22.408 14.166 10.480 604 HA PRO 106 HA PRO 106 -21.063 13.075 5.772 605 HB3 PRO 106 HB2 PRO 106 -20.583 10.943 5.060 606 HG3 PRO 106 HG2 PRO 106 -21.870 9.132 5.743 607 HD3 PRO 106 HD2 PRO 106 -21.450 10.115 7.786 608 H THR 107 H THR 107 -22.361 14.929 5.710 609 HA THR 107 HA THR 107 -25.043 14.641 4.552 610 HB THR 107 HB THR 107 -24.918 15.970 6.607 611 HG1 THR 107 HG1 THR 107 -26.449 17.123 5.726 612 HG21 THR 107 HG21 THR 107 -22.712 16.855 6.558 613 HG22 THR 107 HG22 THR 107 -23.804 18.236 6.452 614 HG23 THR 107 HG23 THR 107 -22.989 17.641 5.005 615 H LYS 108 H LYS 108 -25.699 16.014 2.808 616 HA LYS 108 HA LYS 108 -23.493 17.122 1.210 617 HB3 LYS 108 HB2 LYS 108 -25.772 15.751 -0.157 618 HG3 LYS 108 HG2 LYS 108 -22.883 15.693 -0.933 619 HD3 LYS 108 HD2 LYS 108 -24.509 15.929 -3.159 620 HE3 LYS 108 HE2 LYS 108 -23.725 13.272 -2.005 621 HZ1 LYS 108 HZ1 LYS 108 -23.714 14.402 -4.750 622 HZ2 LYS 108 HZ2 LYS 108 -24.758 13.214 -4.152 623 HZ3 LYS 108 HZ3 LYS 108 -23.112 12.875 -4.342 624 H LYS 109 H LYS 109 -23.980 19.243 1.570 625 HA LYS 109 HA LYS 109 -26.584 20.325 1.620 626 HB3 LYS 109 HB2 LYS 109 -23.946 21.684 1.034 627 HG3 LYS 109 HG2 LYS 109 -26.039 23.203 2.395 628 HD3 LYS 109 HD2 LYS 109 -23.669 23.799 1.279 629 HE3 LYS 109 HE2 LYS 109 -25.320 25.118 -0.737 630 HZ1 LYS 109 HZ1 LYS 109 -22.694 24.684 -0.357 631 HZ2 LYS 109 HZ2 LYS 109 -23.384 25.160 -1.825 632 HZ3 LYS 109 HZ3 LYS 109 -23.051 23.527 -1.538 Start of MODEL 3 1 H1 MET 1 H MET 1 -5.053 13.237 -28.583 2 HA MET 1 HA MET 1 -3.776 15.494 -28.427 3 HB3 MET 1 HB2 MET 1 -2.762 15.864 -26.256 4 HG3 MET 1 HG2 MET 1 -4.751 16.224 -24.807 5 HE1 MET 1 HE1 MET 1 -7.389 17.519 -26.734 6 HE2 MET 1 HE2 MET 1 -6.739 17.938 -25.150 7 HE3 MET 1 HE3 MET 1 -6.776 19.145 -26.436 8 H SER 2 H SER 2 -1.302 15.330 -27.721 9 HA SER 2 HA SER 2 0.708 14.336 -28.105 10 HB3 SER 2 HB2 SER 2 1.073 12.201 -27.235 11 HG SER 2 HG SER 2 -1.118 12.117 -25.769 12 H ASP 3 H ASP 3 1.786 12.536 -29.495 13 HA ASP 3 HA ASP 3 0.241 11.708 -31.795 14 HB3 ASP 3 HB2 ASP 3 1.806 12.849 -33.400 15 H ALA 4 H ALA 4 1.978 10.825 -33.514 16 HA ALA 4 HA ALA 4 3.511 9.209 -33.988 17 HB1 ALA 4 HB1 ALA 4 5.075 9.460 -31.529 18 HB2 ALA 4 HB2 ALA 4 5.575 9.603 -33.215 19 HB3 ALA 4 HB3 ALA 4 4.838 10.979 -32.394 20 H GLY 5 H GLY 5 4.259 7.058 -33.336 21 HA2 GLY 5 HA2 GLY 5 2.455 5.914 -31.302 22 HA3 GLY 5 HA3 GLY 5 3.075 5.045 -32.698 23 H ARG 6 H ARG 6 4.645 3.652 -32.288 24 HA ARG 6 HA ARG 6 6.321 4.104 -29.906 25 HB3 ARG 6 HB2 ARG 6 6.635 1.583 -29.971 26 HG3 ARG 6 HG2 ARG 6 3.782 2.445 -29.562 27 HD3 ARG 6 HD2 ARG 6 5.198 0.474 -27.855 28 HE ARG 6 HE ARG 6 2.514 -0.016 -28.759 29 HH11 ARG 6 HH11 ARG 6 4.496 1.673 -26.450 30 HH12 ARG 6 HH12 ARG 6 3.230 1.821 -25.276 31 HH21 ARG 6 HH21 ARG 6 0.838 0.172 -27.221 32 HH22 ARG 6 HH22 ARG 6 1.151 0.967 -25.716 33 H LYS 7 H LYS 7 8.514 3.921 -30.079 34 HA LYS 7 HA LYS 7 9.609 3.267 -32.731 35 HB3 LYS 7 HB2 LYS 7 9.690 5.644 -32.627 36 HG3 LYS 7 HG2 LYS 7 10.944 5.369 -29.901 37 HD3 LYS 7 HD2 LYS 7 11.833 7.195 -31.469 38 HE3 LYS 7 HE2 LYS 7 9.229 8.520 -30.753 39 HZ1 LYS 7 HZ1 LYS 7 11.671 9.406 -31.846 40 HZ2 LYS 7 HZ2 LYS 7 10.289 10.307 -31.475 41 HZ3 LYS 7 HZ3 LYS 7 10.449 9.597 -33.002 42 H GLY 8 H GLY 8 12.210 3.289 -32.386 43 HA2 GLY 8 HA2 GLY 8 12.827 0.957 -31.018 44 HA3 GLY 8 HA3 GLY 8 14.005 2.174 -31.485 45 H PHE 9 H PHE 9 12.816 4.267 -29.849 46 HA PHE 9 HA PHE 9 14.128 3.601 -27.374 47 HB3 PHE 9 HB2 PHE 9 12.669 6.090 -27.273 48 HD1 PHE 9 HD1 PHE 9 16.036 4.844 -28.306 49 HD2 PHE 9 HD2 PHE 9 13.759 7.265 -25.646 50 HE1 PHE 9 HE1 PHE 9 18.100 5.499 -27.139 51 HE2 PHE 9 HE2 PHE 9 15.821 7.923 -24.476 52 HZ PHE 9 HZ PHE 9 17.996 7.041 -25.222 53 H GLY 10 H GLY 10 10.892 3.657 -28.569 54 HA2 GLY 10 HA2 GLY 10 9.463 4.024 -26.179 55 HA3 GLY 10 HA3 GLY 10 8.874 3.164 -27.594 56 H GLU 11 H GLU 11 10.297 0.961 -27.810 57 HA GLU 11 HA GLU 11 9.283 -0.775 -25.910 58 HB3 GLU 11 HB2 GLU 11 9.965 -1.769 -27.908 59 HG3 GLU 11 HG2 GLU 11 12.630 -0.442 -27.515 60 H LYS 12 H LYS 12 12.452 0.789 -26.025 61 HA LYS 12 HA LYS 12 13.494 -0.542 -23.736 62 HB3 LYS 12 HB2 LYS 12 15.327 0.999 -23.874 63 HG3 LYS 12 HG2 LYS 12 14.821 1.071 -26.747 64 HD3 LYS 12 HD2 LYS 12 16.814 -0.733 -25.509 65 HE3 LYS 12 HE2 LYS 12 17.387 1.493 -27.408 66 HZ1 LYS 12 HZ1 LYS 12 18.442 -0.957 -28.183 67 HZ2 LYS 12 HZ2 LYS 12 18.680 -0.842 -26.513 68 HZ3 LYS 12 HZ3 LYS 12 19.272 0.368 -27.536 69 H ALA 13 H ALA 13 11.983 2.624 -24.249 70 HA ALA 13 HA ALA 13 12.292 3.723 -21.733 71 HB1 ALA 13 HB1 ALA 13 10.492 4.124 -23.997 72 HB2 ALA 13 HB2 ALA 13 9.787 4.575 -22.443 73 HB3 ALA 13 HB3 ALA 13 11.305 5.304 -22.969 74 H SER 14 H SER 14 9.576 1.723 -22.889 75 HA SER 14 HA SER 14 8.188 1.646 -20.451 76 HB3 SER 14 HB2 SER 14 7.567 -0.751 -21.700 77 HG SER 14 HG SER 14 5.911 0.697 -22.732 78 H GLU 15 H GLU 15 10.923 -0.147 -21.622 79 HA GLU 15 HA GLU 15 10.739 -2.233 -19.651 80 HB3 GLU 15 HB2 GLU 15 13.145 -2.675 -20.460 81 HG3 GLU 15 HG2 GLU 15 11.783 -2.885 -22.950 82 H ALA 16 H ALA 16 12.415 0.829 -19.983 83 HA ALA 16 HA ALA 16 14.232 0.524 -17.851 84 HB1 ALA 16 HB1 ALA 16 13.029 3.078 -18.909 85 HB2 ALA 16 HB2 ALA 16 14.505 2.928 -17.957 86 HB3 ALA 16 HB3 ALA 16 14.435 2.257 -19.585 87 H LEU 17 H LEU 17 11.101 2.233 -17.964 88 HA LEU 17 HA LEU 17 10.982 2.922 -15.267 89 HB3 LEU 17 HB2 LEU 17 9.504 3.853 -16.975 90 HG LEU 17 HG LEU 17 8.941 1.446 -17.951 91 HD11 LEU 17 HD11 LEU 17 7.635 1.220 -15.596 92 HD12 LEU 17 HD12 LEU 17 7.188 0.356 -17.066 93 HD13 LEU 17 HD13 LEU 17 6.348 1.844 -16.628 94 HD21 LEU 17 HD21 LEU 17 7.013 3.764 -17.875 95 HD22 LEU 17 HD22 LEU 17 7.005 2.456 -19.058 96 HD23 LEU 17 HD23 LEU 17 8.368 3.573 -18.987 97 H LYS 18 H LYS 18 9.923 -0.009 -16.926 98 HA LYS 18 HA LYS 18 8.747 -1.187 -14.601 99 HB3 LYS 18 HB2 LYS 18 9.367 -3.262 -16.351 100 HG3 LYS 18 HG2 LYS 18 6.904 -1.954 -17.108 101 HD3 LYS 18 HD2 LYS 18 6.094 -4.098 -15.808 102 HE3 LYS 18 HE2 LYS 18 7.492 -3.883 -18.437 103 HZ1 LYS 18 HZ1 LYS 18 6.308 -6.399 -17.390 104 HZ2 LYS 18 HZ2 LYS 18 7.963 -6.132 -17.615 105 HZ3 LYS 18 HZ3 LYS 18 6.922 -6.148 -18.948 106 HA PRO 19 HA PRO 19 12.199 -3.043 -12.627 107 HB3 PRO 19 HB2 PRO 19 10.729 -3.942 -11.110 108 HG3 PRO 19 HG2 PRO 19 8.651 -4.741 -11.783 109 HD3 PRO 19 HD2 PRO 19 8.621 -2.665 -12.785 110 H ASP 20 H ASP 20 13.207 -5.472 -12.457 111 HA ASP 20 HA ASP 20 13.205 -7.115 -14.717 112 HB3 ASP 20 HB2 ASP 20 15.784 -5.729 -14.886 113 H SER 21 H SER 21 15.685 -8.126 -14.854 114 HA SER 21 HA SER 21 15.930 -9.682 -12.570 115 HB3 SER 21 HB2 SER 21 18.423 -9.206 -14.102 116 HG SER 21 HG SER 21 18.369 -11.469 -14.136 117 H GLN 22 H GLN 22 18.042 -9.830 -11.263 118 HA GLN 22 HA GLN 22 18.236 -7.562 -9.628 119 HB3 GLN 22 HB2 GLN 22 20.605 -9.162 -9.403 120 HG3 GLN 22 HG2 GLN 22 19.040 -8.002 -7.636 121 HE21 GLN 22 HE21 GLN 22 18.180 -9.288 -5.538 122 HE22 GLN 22 HE22 GLN 22 16.781 -10.244 -5.874 123 H LYS 23 H LYS 23 20.761 -6.934 -9.077 124 HA LYS 23 HA LYS 23 21.470 -5.117 -11.104 125 HB3 LYS 23 HB2 LYS 23 23.746 -5.531 -9.498 126 HG3 LYS 23 HG2 LYS 23 21.477 -3.593 -9.087 127 HD3 LYS 23 HD2 LYS 23 24.250 -3.790 -7.964 128 HE3 LYS 23 HE2 LYS 23 22.632 -1.303 -8.459 129 HZ1 LYS 23 HZ1 LYS 23 23.741 -0.183 -6.828 130 HZ2 LYS 23 HZ2 LYS 23 25.046 -1.259 -6.795 131 HZ3 LYS 23 HZ3 LYS 23 23.579 -1.687 -6.070 132 H SER 24 H SER 24 21.905 -6.031 -13.064 133 HA SER 24 HA SER 24 24.188 -7.893 -13.173 134 HB3 SER 24 HB2 SER 24 22.553 -7.818 -15.584 135 HG SER 24 HG SER 24 23.565 -9.659 -15.508 136 H TYR 25 H TYR 25 24.783 -7.788 -15.827 137 HA TYR 25 HA TYR 25 26.488 -5.652 -16.075 138 HB3 TYR 25 HB2 TYR 25 25.780 -6.227 -18.707 139 HD1 TYR 25 HD1 TYR 25 27.415 -8.353 -16.096 140 HD2 TYR 25 HD2 TYR 25 27.884 -6.010 -19.617 141 HE1 TYR 25 HE1 TYR 25 29.808 -8.919 -16.147 142 HE2 TYR 25 HE2 TYR 25 30.278 -6.570 -19.678 143 HH TYR 25 HH TYR 25 32.011 -7.390 -18.386 144 H ALA 26 H ALA 26 23.095 -5.835 -16.930 145 HA ALA 26 HA ALA 26 22.791 -3.624 -18.549 146 HB1 ALA 26 HB1 ALA 26 20.482 -3.481 -17.645 147 HB2 ALA 26 HB2 ALA 26 20.952 -5.110 -18.131 148 HB3 ALA 26 HB3 ALA 26 20.930 -4.673 -16.423 149 H GLU 27 H GLU 27 22.835 -3.741 -14.999 150 HA GLU 27 HA GLU 27 22.511 -0.900 -14.738 151 HB3 GLU 27 HB2 GLU 27 23.542 -1.911 -12.333 152 HG3 GLU 27 HG2 GLU 27 20.994 -2.057 -11.770 153 H GLN 28 H GLN 28 25.193 -3.173 -14.661 154 HA GLN 28 HA GLN 28 27.194 -1.533 -13.653 155 HB3 GLN 28 HB2 GLN 28 28.774 -3.000 -14.806 156 HG3 GLN 28 HG2 GLN 28 26.493 -4.771 -14.013 157 HE21 GLN 28 HE21 GLN 28 27.111 -6.807 -13.757 158 HE22 GLN 28 HE22 GLN 28 28.744 -7.368 -13.753 159 H GLY 29 H GLY 29 26.273 -2.042 -17.060 160 HA2 GLY 29 HA2 GLY 29 28.107 -0.233 -18.171 161 HA3 GLY 29 HA3 GLY 29 26.604 -0.745 -18.924 162 H LYS 30 H LYS 30 24.670 0.272 -17.374 163 HA LYS 30 HA LYS 30 24.425 2.899 -18.163 164 HB3 LYS 30 HB2 LYS 30 22.613 3.080 -16.494 165 HG3 LYS 30 HG2 LYS 30 22.794 0.563 -18.099 166 HD3 LYS 30 HD2 LYS 30 21.265 0.653 -15.840 167 HE3 LYS 30 HE2 LYS 30 19.988 2.429 -17.531 168 HZ1 LYS 30 HZ1 LYS 30 17.831 1.078 -17.829 169 HZ2 LYS 30 HZ2 LYS 30 18.852 -0.271 -17.829 170 HZ3 LYS 30 HZ3 LYS 30 19.050 0.939 -18.995 171 H GLU 31 H GLU 31 25.237 1.776 -14.875 172 HA GLU 31 HA GLU 31 25.768 4.318 -13.817 173 HB3 GLU 31 HB2 GLU 31 26.929 3.127 -12.009 174 HG3 GLU 31 HG2 GLU 31 25.134 1.269 -11.624 175 H TYR 32 H TYR 32 27.687 2.181 -15.763 176 HA TYR 32 HA TYR 32 30.239 3.236 -15.171 177 HB3 TYR 32 HB2 TYR 32 29.325 1.977 -17.765 178 HD1 TYR 32 HD1 TYR 32 30.964 3.169 -19.114 179 HD2 TYR 32 HD2 TYR 32 32.153 0.943 -15.688 180 HE1 TYR 32 HE1 TYR 32 33.303 3.268 -19.869 181 HE2 TYR 32 HE2 TYR 32 34.495 1.038 -16.432 182 HH TYR 32 HH TYR 32 35.377 2.264 -19.573 183 H ILE 33 H ILE 33 27.893 3.993 -17.725 184 HA ILE 33 HA ILE 33 29.486 5.996 -18.954 185 HB ILE 33 HB ILE 33 26.487 5.938 -19.102 186 HG13 ILE 33 HG12 ILE 33 26.879 3.681 -19.499 187 HG21 ILE 33 HG21 ILE 33 26.792 6.840 -21.274 188 HG22 ILE 33 HG22 ILE 33 27.855 7.744 -20.196 189 HG23 ILE 33 HG23 ILE 33 28.522 6.496 -21.247 190 HD11 ILE 33 HD11 ILE 33 26.424 3.273 -21.689 191 HD12 ILE 33 HD12 ILE 33 26.054 4.995 -21.621 192 HD13 ILE 33 HD13 ILE 33 27.600 4.450 -22.270 193 H THR 34 H THR 34 26.727 6.156 -16.714 194 HA THR 34 HA THR 34 26.425 8.880 -16.503 195 HB THR 34 HB THR 34 25.595 8.495 -14.194 196 HG1 THR 34 HG1 THR 34 25.928 6.607 -13.198 197 HG21 THR 34 HG21 THR 34 24.143 8.101 -16.147 198 HG22 THR 34 HG22 THR 34 23.751 7.029 -14.804 199 HG23 THR 34 HG23 THR 34 24.666 6.418 -16.180 200 H ASP 35 H ASP 35 28.592 6.822 -14.566 201 HA ASP 35 HA ASP 35 29.704 8.815 -12.975 202 HB3 ASP 35 HB2 ASP 35 31.548 6.681 -13.861 203 H LYS 36 H LYS 36 30.464 7.843 -16.257 204 HA LYS 36 HA LYS 36 32.879 9.342 -16.466 205 HB3 LYS 36 HB2 LYS 36 32.645 8.948 -18.895 206 HG3 LYS 36 HG2 LYS 36 32.033 6.324 -18.562 207 HD3 LYS 36 HD2 LYS 36 34.669 7.011 -17.490 208 HE3 LYS 36 HE2 LYS 36 33.504 5.424 -19.729 209 HZ1 LYS 36 HZ1 LYS 36 36.362 6.199 -19.511 210 HZ2 LYS 36 HZ2 LYS 36 35.317 6.556 -20.793 211 HZ3 LYS 36 HZ3 LYS 36 35.775 4.956 -20.497 212 H ALA 37 H ALA 37 29.513 9.953 -17.389 213 HA ALA 37 HA ALA 37 29.961 12.447 -18.630 214 HB1 ALA 37 HB1 ALA 37 27.409 11.673 -17.247 215 HB2 ALA 37 HB2 ALA 37 27.625 12.707 -18.659 216 HB3 ALA 37 HB3 ALA 37 27.898 10.969 -18.788 217 H ASP 38 H ASP 38 29.639 11.493 -15.305 218 HA ASP 38 HA ASP 38 29.087 14.116 -14.291 219 HB3 ASP 38 HB2 ASP 38 30.319 12.221 -12.424 220 H LYS 39 H LYS 39 31.968 12.090 -14.607 221 HA LYS 39 HA LYS 39 33.732 13.862 -13.274 222 HB3 LYS 39 HB2 LYS 39 35.349 12.472 -14.987 223 HG3 LYS 39 HG2 LYS 39 34.707 10.634 -12.949 224 HD3 LYS 39 HD2 LYS 39 36.951 11.333 -13.860 225 HE3 LYS 39 HE2 LYS 39 36.626 13.762 -13.662 226 HZ1 LYS 39 HZ1 LYS 39 37.284 14.043 -10.932 227 HZ2 LYS 39 HZ2 LYS 39 35.846 13.162 -11.069 228 HZ3 LYS 39 HZ3 LYS 39 35.970 14.694 -11.778 229 H VAL 40 H VAL 40 33.255 13.214 -16.750 230 HA VAL 40 HA VAL 40 34.993 15.116 -17.763 231 HB VAL 40 HB VAL 40 33.926 13.460 -19.191 232 HG11 VAL 40 HG11 VAL 40 31.702 13.195 -19.462 233 HG12 VAL 40 HG12 VAL 40 31.622 14.036 -17.912 234 HG13 VAL 40 HG13 VAL 40 31.381 14.929 -19.415 235 HG21 VAL 40 HG21 VAL 40 33.284 16.297 -19.993 236 HG22 VAL 40 HG22 VAL 40 34.807 15.448 -20.261 237 HG23 VAL 40 HG23 VAL 40 33.345 14.918 -21.093 238 H ALA 41 H ALA 41 31.681 15.495 -16.626 239 HA ALA 41 HA ALA 41 31.449 18.220 -17.493 240 HB1 ALA 41 HB1 ALA 41 29.312 18.200 -16.553 241 HB2 ALA 41 HB2 ALA 41 29.555 16.540 -17.097 242 HB3 ALA 41 HB3 ALA 41 29.734 16.944 -15.390 243 H GLY 42 H GLY 42 31.699 16.695 -14.272 244 HA2 GLY 42 HA2 GLY 42 31.913 19.035 -12.779 245 HA3 GLY 42 HA3 GLY 42 32.571 17.478 -12.298 246 H LYS 43 H LYS 43 34.382 17.271 -14.551 247 HA LYS 43 HA LYS 43 36.647 18.494 -13.444 248 HB3 LYS 43 HB2 LYS 43 37.385 18.022 -16.039 249 HG3 LYS 43 HG2 LYS 43 38.083 15.786 -15.335 250 HD3 LYS 43 HD2 LYS 43 38.586 17.310 -12.863 251 HE3 LYS 43 HE2 LYS 43 40.942 16.965 -13.641 252 HZ1 LYS 43 HZ1 LYS 43 39.330 15.211 -12.450 253 HZ2 LYS 43 HZ2 LYS 43 40.968 14.917 -12.755 254 HZ3 LYS 43 HZ3 LYS 43 39.789 14.310 -13.807 255 H VAL 44 H VAL 44 34.255 19.700 -15.596 256 HA VAL 44 HA VAL 44 35.814 21.743 -16.829 257 HB VAL 44 HB VAL 44 32.820 21.737 -16.446 258 HG11 VAL 44 HG11 VAL 44 34.690 23.153 -18.325 259 HG12 VAL 44 HG12 VAL 44 32.966 22.980 -18.660 260 HG13 VAL 44 HG13 VAL 44 33.502 23.850 -17.222 261 HG21 VAL 44 HG21 VAL 44 33.573 19.616 -17.429 262 HG22 VAL 44 HG22 VAL 44 32.661 20.590 -18.583 263 HG23 VAL 44 HG23 VAL 44 34.420 20.511 -18.692 264 H GLN 45 H GLN 45 36.171 23.823 -16.239 265 HA GLN 45 HA GLN 45 35.161 24.638 -13.595 266 HB3 GLN 45 HB2 GLN 45 37.729 25.401 -14.997 267 HG3 GLN 45 HG2 GLN 45 36.359 26.605 -12.710 268 HE21 GLN 45 HE21 GLN 45 39.803 26.749 -13.294 269 HE22 GLN 45 HE22 GLN 45 40.288 26.282 -11.703 270 HA PRO 46 HA PRO 46 33.311 27.530 -16.715 271 HB3 PRO 46 HB2 PRO 46 31.353 26.328 -16.768 272 HG3 PRO 46 HG2 PRO 46 30.751 24.940 -15.003 273 HD3 PRO 46 HD2 PRO 46 32.911 24.219 -15.354 274 H GLU 47 H GLU 47 31.491 29.333 -15.819 275 HA GLU 47 HA GLU 47 33.045 31.191 -14.416 276 HB3 GLU 47 HB2 GLU 47 30.950 32.511 -14.242 277 HG3 GLU 47 HG2 GLU 47 31.015 31.251 -16.960 278 H ASP 48 H ASP 48 30.934 28.687 -13.312 279 HA ASP 48 HA ASP 48 30.396 27.919 -11.240 280 HB3 ASP 48 HB2 ASP 48 32.414 29.690 -9.935 281 H ASN 49 H ASN 49 29.844 28.748 -8.902 282 HA ASN 49 HA ASN 49 29.143 31.421 -8.463 283 HB3 ASN 49 HB2 ASN 49 26.536 30.199 -8.800 284 HD21 ASN 49 HD21 ASN 49 25.799 31.682 -11.050 285 HD22 ASN 49 HD22 ASN 49 25.921 33.362 -10.661 286 H LYS 50 H LYS 50 28.378 28.038 -7.914 287 HA LYS 50 HA LYS 50 28.033 26.844 -6.007 288 HB3 LYS 50 HB2 LYS 50 28.787 29.277 -4.403 289 HG3 LYS 50 HG2 LYS 50 28.283 26.640 -3.681 290 HD3 LYS 50 HD2 LYS 50 31.224 27.195 -3.359 291 HE3 LYS 50 HE2 LYS 50 29.571 24.696 -2.999 292 HZ1 LYS 50 HZ1 LYS 50 32.267 24.939 -3.440 293 HZ2 LYS 50 HZ2 LYS 50 31.468 23.592 -2.802 294 HZ3 LYS 50 HZ3 LYS 50 32.133 24.749 -1.763 295 H GLY 51 H GLY 51 26.425 26.475 -4.438 296 HA2 GLY 51 HA2 GLY 51 24.586 27.138 -3.085 297 HA3 GLY 51 HA3 GLY 51 24.471 28.624 -4.015 298 H VAL 52 H VAL 52 24.876 26.563 -6.392 299 HA VAL 52 HA VAL 52 22.025 26.336 -6.899 300 HB VAL 52 HB VAL 52 24.295 25.489 -8.699 301 HG11 VAL 52 HG11 VAL 52 22.655 25.694 -10.477 302 HG12 VAL 52 HG12 VAL 52 22.082 24.568 -9.245 303 HG13 VAL 52 HG13 VAL 52 21.430 26.206 -9.316 304 HG21 VAL 52 HG21 VAL 52 24.508 27.858 -8.072 305 HG22 VAL 52 HG22 VAL 52 24.105 27.657 -9.777 306 HG23 VAL 52 HG23 VAL 52 22.858 28.142 -8.627 307 H PHE 53 H PHE 53 24.667 24.332 -5.936 308 HA PHE 53 HA PHE 53 22.969 21.944 -6.245 309 HB3 PHE 53 HB2 PHE 53 25.739 21.302 -5.768 310 HD1 PHE 53 HD1 PHE 53 24.012 21.748 -9.017 311 HD2 PHE 53 HD2 PHE 53 25.257 19.032 -5.986 312 HE1 PHE 53 HE1 PHE 53 23.363 19.857 -10.450 313 HE2 PHE 53 HE2 PHE 53 24.611 17.135 -7.416 314 HZ PHE 53 HZ PHE 53 23.663 17.547 -9.651 315 H GLN 54 H GLN 54 24.850 23.900 -4.091 316 HA GLN 54 HA GLN 54 25.221 22.153 -1.952 317 HB3 GLN 54 HB2 GLN 54 24.709 24.629 -0.786 318 HG3 GLN 54 HG2 GLN 54 27.382 24.638 -1.732 319 HE21 GLN 54 HE21 GLN 54 26.287 26.227 -0.006 320 HE22 GLN 54 HE22 GLN 54 26.721 25.853 1.624 321 H GLY 55 H GLY 55 22.358 23.738 -3.094 322 HA2 GLY 55 HA2 GLY 55 20.777 23.762 -0.799 323 HA3 GLY 55 HA3 GLY 55 20.164 23.587 -2.437 324 H VAL 56 H VAL 56 21.790 21.083 -2.763 325 HA VAL 56 HA VAL 56 19.800 19.220 -2.178 326 HB VAL 56 HB VAL 56 21.630 18.891 -3.840 327 HG11 VAL 56 HG11 VAL 56 23.304 19.454 -1.740 328 HG12 VAL 56 HG12 VAL 56 23.467 17.705 -1.911 329 HG13 VAL 56 HG13 VAL 56 23.792 18.761 -3.286 330 HG21 VAL 56 HG21 VAL 56 21.338 16.651 -3.794 331 HG22 VAL 56 HG22 VAL 56 21.840 16.510 -2.109 332 HG23 VAL 56 HG23 VAL 56 20.205 17.044 -2.501 333 H HIS 57 H HIS 57 22.313 20.512 -0.193 334 HA HIS 57 HA HIS 57 22.480 18.418 1.708 335 HB3 HIS 57 HB2 HIS 57 23.119 21.365 1.896 336 HD1 HIS 57 HD1 HIS 57 22.089 21.513 4.343 337 HD2 HIS 57 HD2 HIS 57 25.262 18.871 3.883 338 HE1 HIS 57 HE1 HIS 57 22.891 21.013 6.673 339 H ASP 58 H ASP 58 20.231 21.004 1.204 340 HA ASP 58 HA ASP 58 19.131 21.287 3.744 341 HB3 ASP 58 HB2 ASP 58 17.773 21.461 1.047 342 H SER 59 H SER 59 18.866 18.696 1.473 343 HA SER 59 HA SER 59 16.535 17.530 2.732 344 HB3 SER 59 HB2 SER 59 17.209 15.572 1.142 345 HG SER 59 HG SER 59 15.660 17.525 0.839 346 H ALA 60 H ALA 60 19.987 17.271 2.925 347 HA ALA 60 HA ALA 60 20.303 14.738 4.027 348 HB1 ALA 60 HB1 ALA 60 22.025 16.630 3.352 349 HB2 ALA 60 HB2 ALA 60 21.978 16.948 5.088 350 HB3 ALA 60 HB3 ALA 60 22.447 15.354 4.495 351 H GLU 61 H GLU 61 18.998 17.627 5.420 352 HA GLU 61 HA GLU 61 19.382 17.240 8.125 353 HB3 GLU 61 HB2 GLU 61 16.990 18.311 8.268 354 HG3 GLU 61 HG2 GLU 61 19.360 19.656 7.011 355 H LYS 62 H LYS 62 17.236 15.570 5.941 356 HA LYS 62 HA LYS 62 16.140 14.026 8.194 357 HB3 LYS 62 HB2 LYS 62 14.339 14.957 6.990 358 HG3 LYS 62 HG2 LYS 62 15.701 14.057 4.460 359 HD3 LYS 62 HD2 LYS 62 12.902 14.589 5.065 360 HE3 LYS 62 HE2 LYS 62 12.595 15.816 2.859 361 HZ1 LYS 62 HZ1 LYS 62 12.093 17.296 4.442 362 HZ2 LYS 62 HZ2 LYS 62 13.597 17.981 4.081 363 HZ3 LYS 62 HZ3 LYS 62 13.442 16.920 5.391 364 H GLY 63 H GLY 63 17.051 12.112 8.520 365 HA2 GLY 63 HA2 GLY 63 17.417 9.864 7.726 366 HA3 GLY 63 HA3 GLY 63 17.870 10.536 6.167 367 H LYS 64 H LYS 64 19.882 11.819 6.102 368 HA LYS 64 HA LYS 64 22.034 10.382 7.187 369 HB3 LYS 64 HB2 LYS 64 22.732 13.116 6.495 370 HG3 LYS 64 HG2 LYS 64 23.554 10.412 5.816 371 HD3 LYS 64 HD2 LYS 64 24.002 12.464 3.677 372 HE3 LYS 64 HE2 LYS 64 23.978 10.008 2.520 373 HZ1 LYS 64 HZ1 LYS 64 26.172 10.374 2.183 374 HZ2 LYS 64 HZ2 LYS 64 26.488 10.775 3.795 375 HZ3 LYS 64 HZ3 LYS 64 25.772 11.911 2.765 376 H ASP 65 H ASP 65 23.877 12.116 8.158 377 HA ASP 65 HA ASP 65 24.622 13.113 10.063 378 HB3 ASP 65 HB2 ASP 65 22.121 14.198 11.053 379 H ASN 66 H ASN 66 25.161 11.557 11.470 380 HA ASN 66 HA ASN 66 25.055 10.151 13.254 381 HB3 ASN 66 HB2 ASN 66 22.677 10.585 14.565 382 HD21 ASN 66 HD21 ASN 66 25.679 12.288 13.802 383 HD22 ASN 66 HD22 ASN 66 26.214 12.437 15.437 384 H ALA 67 H ALA 67 24.861 8.127 12.505 385 HA ALA 67 HA ALA 67 22.216 6.938 12.439 386 HB1 ALA 67 HB1 ALA 67 22.080 6.403 10.245 387 HB2 ALA 67 HB2 ALA 67 23.067 7.856 10.073 388 HB3 ALA 67 HB3 ALA 67 23.828 6.265 10.056 389 H GLU 68 H GLU 68 24.779 6.759 13.968 390 HA GLU 68 HA GLU 68 24.797 4.004 14.441 391 HB3 GLU 68 HB2 GLU 68 27.459 4.243 13.491 392 HG3 GLU 68 HG2 GLU 68 25.289 2.723 12.091 393 H GLY 69 H GLY 69 27.092 3.428 15.574 394 HA2 GLY 69 HA2 GLY 69 28.527 5.460 16.859 395 HA3 GLY 69 HA3 GLY 69 27.171 5.029 17.891 396 H GLN 70 H GLN 70 29.629 4.675 18.902 397 HA GLN 70 HA GLN 70 29.664 1.983 19.647 398 HB3 GLN 70 HB2 GLN 70 32.182 1.942 18.439 399 HG3 GLN 70 HG2 GLN 70 30.055 0.609 16.926 400 HE21 GLN 70 HE21 GLN 70 30.614 -1.932 17.843 401 HE22 GLN 70 HE22 GLN 70 32.259 -2.317 17.486 402 H GLY 71 H GLY 71 30.681 1.846 21.553 403 HA2 GLY 71 HA2 GLY 71 31.912 2.465 23.388 404 HA3 GLY 71 HA3 GLY 71 33.132 2.980 22.232 405 H GLU 72 H GLU 72 33.801 4.906 22.959 406 HA GLU 72 HA GLU 72 32.196 6.770 24.328 407 HB3 GLU 72 HB2 GLU 72 34.549 6.898 24.629 408 HG3 GLU 72 HG2 GLU 72 34.678 6.561 21.773 409 H SER 73 H SER 73 30.326 7.251 23.224 410 HA SER 73 HA SER 73 30.368 9.380 21.413 411 HB3 SER 73 HB2 SER 73 30.989 8.171 19.566 412 HG SER 73 HG SER 73 29.645 5.922 20.664 413 H LEU 74 H LEU 74 28.735 10.248 22.591 414 HA LEU 74 HA LEU 74 26.520 8.959 23.643 415 HB3 LEU 74 HB2 LEU 74 26.803 11.797 22.669 416 HG LEU 74 HG LEU 74 24.410 11.305 22.980 417 HD11 LEU 74 HD11 LEU 74 25.387 10.310 25.627 418 HD12 LEU 74 HD12 LEU 74 24.262 9.562 24.493 419 HD13 LEU 74 HD13 LEU 74 23.752 10.950 25.456 420 HD21 LEU 74 HD21 LEU 74 25.883 13.157 24.797 421 HD22 LEU 74 HD22 LEU 74 24.134 12.994 24.965 422 HD23 LEU 74 HD23 LEU 74 24.829 13.520 23.430 423 H ALA 75 H ALA 75 27.151 9.988 20.389 424 HA ALA 75 HA ALA 75 24.618 10.190 19.306 425 HB1 ALA 75 HB1 ALA 75 27.296 9.694 18.306 426 HB2 ALA 75 HB2 ALA 75 26.061 8.889 17.339 427 HB3 ALA 75 HB3 ALA 75 25.979 10.632 17.599 428 H ASP 76 H ASP 76 26.364 7.340 20.307 429 HA ASP 76 HA ASP 76 24.664 5.467 18.969 430 HB3 ASP 76 HB2 ASP 76 26.234 4.702 21.393 431 H GLN 77 H GLN 77 24.743 6.955 22.147 432 HA GLN 77 HA GLN 77 22.710 5.274 23.260 433 HB3 GLN 77 HB2 GLN 77 22.749 7.583 24.788 434 HG3 GLN 77 HG2 GLN 77 24.834 6.099 25.819 435 HE21 GLN 77 HE21 GLN 77 24.367 6.085 27.891 436 HE22 GLN 77 HE22 GLN 77 22.784 6.009 28.580 437 H ALA 78 H ALA 78 22.788 8.287 21.511 438 HA ALA 78 HA ALA 78 20.129 9.103 22.147 439 HB1 ALA 78 HB1 ALA 78 20.942 10.982 21.292 440 HB2 ALA 78 HB2 ALA 78 22.337 10.128 20.631 441 HB3 ALA 78 HB3 ALA 78 20.851 10.250 19.690 442 H ARG 79 H ARG 79 21.607 7.417 19.397 443 HA ARG 79 HA ARG 79 19.342 7.248 17.772 444 HB3 ARG 79 HB2 ARG 79 20.661 4.935 17.192 445 HG3 ARG 79 HG2 ARG 79 20.306 6.678 15.563 446 HD3 ARG 79 HD2 ARG 79 22.499 8.359 15.807 447 HE ARG 79 HE ARG 79 19.830 8.738 15.486 448 HH11 ARG 79 HH11 ARG 79 22.265 10.217 17.489 449 HH12 ARG 79 HH12 ARG 79 21.486 11.764 17.521 450 HH21 ARG 79 HH21 ARG 79 18.795 10.771 15.522 451 HH22 ARG 79 HH22 ARG 79 19.510 12.078 16.401 452 H ASP 80 H ASP 80 20.230 5.484 20.621 453 HA ASP 80 HA ASP 80 18.417 3.302 20.206 454 HB3 ASP 80 HB2 ASP 80 19.231 3.909 22.973 455 H TYR 81 H TYR 81 18.379 6.279 22.127 456 HA TYR 81 HA TYR 81 15.821 5.785 23.283 457 HB3 TYR 81 HB2 TYR 81 17.320 8.396 22.981 458 HD1 TYR 81 HD1 TYR 81 14.660 6.546 24.813 459 HD2 TYR 81 HD2 TYR 81 16.426 10.321 23.956 460 HE1 TYR 81 HE1 TYR 81 12.813 7.670 25.986 461 HE2 TYR 81 HE2 TYR 81 14.586 11.455 25.129 462 HH TYR 81 HH TYR 81 12.125 10.877 25.685 463 H MET 82 H MET 82 16.962 7.669 20.514 464 HA MET 82 HA MET 82 14.511 8.881 19.863 465 HB3 MET 82 HB2 MET 82 15.687 8.732 17.452 466 HG3 MET 82 HG2 MET 82 17.201 10.664 18.225 467 HE1 MET 82 HE1 MET 82 13.388 11.297 19.902 468 HE2 MET 82 HE2 MET 82 14.967 11.918 20.384 469 HE3 MET 82 HE3 MET 82 13.859 12.942 19.469 470 H GLY 83 H GLY 83 16.062 5.998 18.435 471 HA2 GLY 83 HA2 GLY 83 13.996 5.278 16.716 472 HA3 GLY 83 HA3 GLY 83 15.159 4.157 17.406 473 H ALA 84 H ALA 84 14.313 4.758 20.161 474 HA ALA 84 HA ALA 84 12.280 2.781 20.380 475 HB1 ALA 84 HB1 ALA 84 13.387 2.644 22.314 476 HB2 ALA 84 HB2 ALA 84 13.987 4.300 22.189 477 HB3 ALA 84 HB3 ALA 84 12.376 3.991 22.841 478 H ALA 85 H ALA 85 12.319 6.300 20.596 479 HA ALA 85 HA ALA 85 9.666 6.609 21.533 480 HB1 ALA 85 HB1 ALA 85 11.152 8.434 21.803 481 HB2 ALA 85 HB2 ALA 85 11.523 8.478 20.080 482 HB3 ALA 85 HB3 ALA 85 9.924 8.954 20.649 483 H LYS 86 H LYS 86 11.059 6.209 18.349 484 HA LYS 86 HA LYS 86 8.850 7.060 16.820 485 HB3 LYS 86 HB2 LYS 86 9.918 6.038 14.963 486 HG3 LYS 86 HG2 LYS 86 12.357 6.422 16.618 487 HD3 LYS 86 HD2 LYS 86 11.552 6.613 13.841 488 HE3 LYS 86 HE2 LYS 86 12.392 9.068 15.193 489 HZ1 LYS 86 HZ1 LYS 86 13.613 8.911 12.595 490 HZ2 LYS 86 HZ2 LYS 86 14.370 7.927 13.744 491 HZ3 LYS 86 HZ3 LYS 86 14.206 9.588 14.028 492 H SER 87 H SER 87 9.875 3.762 17.714 493 HA SER 87 HA SER 87 7.645 2.444 16.646 494 HB3 SER 87 HB2 SER 87 8.978 1.362 19.096 495 HG SER 87 HG SER 87 8.647 -0.511 18.072 496 H LYS 88 H LYS 88 8.265 3.648 19.926 497 HA LYS 88 HA LYS 88 5.871 2.730 21.083 498 HB3 LYS 88 HB2 LYS 88 6.324 4.632 22.747 499 HG3 LYS 88 HG2 LYS 88 8.382 3.608 23.654 500 HD3 LYS 88 HD2 LYS 88 7.266 1.117 23.271 501 HE3 LYS 88 HE2 LYS 88 5.897 1.722 25.317 502 HZ1 LYS 88 HZ1 LYS 88 8.476 1.134 25.131 503 HZ2 LYS 88 HZ2 LYS 88 7.699 1.412 26.607 504 HZ3 LYS 88 HZ3 LYS 88 8.593 2.648 25.878 505 H LEU 89 H LEU 89 6.717 5.933 19.774 506 HA LEU 89 HA LEU 89 4.320 7.231 20.211 507 HB3 LEU 89 HB2 LEU 89 6.166 7.505 17.843 508 HG LEU 89 HG LEU 89 4.251 8.786 17.268 509 HD11 LEU 89 HD11 LEU 89 3.780 10.661 19.197 510 HD12 LEU 89 HD12 LEU 89 4.097 9.213 20.154 511 HD13 LEU 89 HD13 LEU 89 2.823 9.203 18.935 512 HD21 LEU 89 HD21 LEU 89 5.519 10.510 16.685 513 HD22 LEU 89 HD22 LEU 89 6.747 9.954 17.822 514 HD23 LEU 89 HD23 LEU 89 5.526 11.116 18.341 515 H ASN 90 H ASN 90 5.281 5.473 17.260 516 HA ASN 90 HA ASN 90 2.864 5.741 15.894 517 HB3 ASN 90 HB2 ASN 90 4.239 3.182 15.455 518 HD21 ASN 90 HD21 ASN 90 4.786 6.232 13.827 519 HD22 ASN 90 HD22 ASN 90 3.869 5.857 12.411 520 H ASP 91 H ASP 91 3.787 3.618 18.480 521 HA ASP 91 HA ASP 91 1.703 1.706 18.132 522 HB3 ASP 91 HB2 ASP 91 2.671 2.057 20.874 523 H ALA 92 H ALA 92 2.017 4.718 19.915 524 HA ALA 92 HA ALA 92 -0.512 4.402 21.266 525 HB1 ALA 92 HB1 ALA 92 1.770 6.035 21.582 526 HB2 ALA 92 HB2 ALA 92 0.394 7.107 21.313 527 HB3 ALA 92 HB3 ALA 92 0.350 5.929 22.624 528 H VAL 93 H VAL 93 0.758 6.414 18.625 529 HA VAL 93 HA VAL 93 -1.481 7.948 18.090 530 HB VAL 93 HB VAL 93 0.352 6.813 15.978 531 HG11 VAL 93 HG11 VAL 93 -0.198 8.776 14.715 532 HG12 VAL 93 HG12 VAL 93 -1.702 8.000 15.216 533 HG13 VAL 93 HG13 VAL 93 -1.126 9.439 16.059 534 HG21 VAL 93 HG21 VAL 93 1.159 9.407 16.709 535 HG22 VAL 93 HG22 VAL 93 0.972 8.497 18.209 536 HG23 VAL 93 HG23 VAL 93 2.036 7.895 16.939 537 H GLU 94 H GLU 94 -0.604 4.853 16.542 538 HA GLU 94 HA GLU 94 -2.806 4.520 14.933 539 HB3 GLU 94 HB2 GLU 94 -2.172 1.982 16.088 540 HG3 GLU 94 HG2 GLU 94 -0.668 2.349 13.743 541 H TYR 95 H TYR 95 -2.512 3.912 18.382 542 HA TYR 95 HA TYR 95 -5.083 2.670 18.624 543 HB3 TYR 95 HB2 TYR 95 -3.364 3.886 20.795 544 HD1 TYR 95 HD1 TYR 95 -5.534 4.539 21.919 545 HD2 TYR 95 HD2 TYR 95 -4.542 0.499 21.022 546 HE1 TYR 95 HE1 TYR 95 -7.216 3.772 23.541 547 HE2 TYR 95 HE2 TYR 95 -6.221 -0.278 22.642 548 HH TYR 95 HH TYR 95 -7.415 1.370 24.988 549 H VAL 96 H VAL 96 -3.774 5.903 19.185 550 HA VAL 96 HA VAL 96 -6.092 7.026 20.337 551 HB VAL 96 HB VAL 96 -3.976 8.463 18.731 552 HG11 VAL 96 HG11 VAL 96 -6.126 9.675 19.248 553 HG12 VAL 96 HG12 VAL 96 -5.695 9.539 20.954 554 HG13 VAL 96 HG13 VAL 96 -4.655 10.438 19.850 555 HG21 VAL 96 HG21 VAL 96 -2.542 7.908 20.335 556 HG22 VAL 96 HG22 VAL 96 -3.530 8.828 21.470 557 HG23 VAL 96 HG23 VAL 96 -3.811 7.101 21.259 558 H SER 97 H SER 97 -4.862 7.133 16.996 559 HA SER 97 HA SER 97 -6.977 8.601 15.900 560 HB3 SER 97 HB2 SER 97 -5.955 6.683 13.999 561 HG SER 97 HG SER 97 -4.824 9.024 13.680 562 H GLY 98 H GLY 98 -6.673 5.207 16.662 563 HA2 GLY 98 HA2 GLY 98 -9.000 4.418 15.156 564 HA3 GLY 98 HA3 GLY 98 -8.093 3.416 16.279 565 H ARG 99 H ARG 99 -8.400 5.649 18.324 566 HA ARG 99 HA ARG 99 -10.939 4.690 19.368 567 HB3 ARG 99 HB2 ARG 99 -9.971 6.443 21.240 568 HG3 ARG 99 HG2 ARG 99 -8.606 3.937 21.559 569 HD3 ARG 99 HD2 ARG 99 -11.122 4.959 22.864 570 HE ARG 99 HE ARG 99 -9.903 2.609 23.352 571 HH11 ARG 99 HH11 ARG 99 -10.137 5.565 25.176 572 HH12 ARG 99 HH12 ARG 99 -10.049 4.776 26.715 573 HH21 ARG 99 HH21 ARG 99 -9.787 1.558 25.372 574 HH22 ARG 99 HH22 ARG 99 -9.849 2.496 26.826 575 H VAL 100 H VAL 100 -9.385 7.794 18.608 576 HA VAL 100 HA VAL 100 -11.396 9.533 19.340 577 HB VAL 100 HB VAL 100 -9.571 9.757 16.943 578 HG11 VAL 100 HG11 VAL 100 -10.651 11.624 16.422 579 HG12 VAL 100 HG12 VAL 100 -11.740 11.409 17.793 580 HG13 VAL 100 HG13 VAL 100 -10.224 12.287 17.999 581 HG21 VAL 100 HG21 VAL 100 -9.044 11.355 19.345 582 HG22 VAL 100 HG22 VAL 100 -8.852 9.615 19.565 583 HG23 VAL 100 HG23 VAL 100 -7.933 10.453 18.315 584 H HIS 101 H HIS 101 -11.112 7.599 16.409 585 HA HIS 101 HA HIS 101 -13.200 8.765 14.943 586 HB3 HIS 101 HB2 HIS 101 -12.975 5.888 14.539 587 HD1 HIS 101 HD1 HIS 101 -12.102 9.296 13.115 588 HD2 HIS 101 HD2 HIS 101 -13.381 5.544 11.871 589 HE1 HIS 101 HE1 HIS 101 -12.599 9.534 10.661 590 H GLY 102 H GLY 102 -15.022 6.866 14.284 591 HA2 GLY 102 HA2 GLY 102 -17.016 7.133 16.179 592 HA3 GLY 102 HA3 GLY 102 -17.000 5.895 14.932 593 H GLU 103 H GLU 103 -16.770 6.536 18.255 594 HA GLU 103 HA GLU 103 -16.738 3.736 18.875 595 HB3 GLU 103 HB2 GLU 103 -14.606 5.036 20.407 596 HG3 GLU 103 HG2 GLU 103 -15.157 2.573 20.360 597 H GLU 104 H GLU 104 -16.223 3.743 21.526 598 HA GLU 104 HA GLU 104 -18.029 5.792 22.628 599 HB3 GLU 104 HB2 GLU 104 -18.839 4.014 24.210 600 HG3 GLU 104 HG2 GLU 104 -19.460 2.885 21.560 601 H ASP 105 H ASP 105 -15.623 6.583 22.846 602 HA ASP 105 HA ASP 105 -15.022 6.613 25.593 603 HB3 ASP 105 HB2 ASP 105 -12.810 5.239 24.123 604 HA PRO 106 HA PRO 106 -13.297 9.964 22.841 605 HB3 PRO 106 HB2 PRO 106 -15.300 11.088 22.768 606 HG3 PRO 106 HG2 PRO 106 -16.917 10.766 24.408 607 HD3 PRO 106 HD2 PRO 106 -16.457 8.573 23.868 608 H THR 107 H THR 107 -11.786 11.591 23.418 609 HA THR 107 HA THR 107 -11.134 12.073 26.180 610 HB THR 107 HB THR 107 -8.951 10.788 24.559 611 HG1 THR 107 HG1 THR 107 -10.416 9.361 26.508 612 HG21 THR 107 HG21 THR 107 -8.478 12.175 26.620 613 HG22 THR 107 HG22 THR 107 -7.858 10.525 26.653 614 HG23 THR 107 HG23 THR 107 -9.322 10.936 27.545 615 H LYS 108 H LYS 108 -10.549 14.131 26.284 616 HA LYS 108 HA LYS 108 -8.531 15.307 24.728 617 HB3 LYS 108 HB2 LYS 108 -11.020 16.698 23.976 618 HG3 LYS 108 HG2 LYS 108 -9.780 16.375 21.673 619 HD3 LYS 108 HD2 LYS 108 -8.280 18.211 23.429 620 HE3 LYS 108 HE2 LYS 108 -8.830 19.809 21.733 621 HZ1 LYS 108 HZ1 LYS 108 -8.329 17.214 20.382 622 HZ2 LYS 108 HZ2 LYS 108 -7.138 18.152 21.132 623 HZ3 LYS 108 HZ3 LYS 108 -7.959 18.751 19.781 624 H LYS 109 H LYS 109 -8.045 17.435 25.381 625 HA LYS 109 HA LYS 109 -8.878 18.071 28.028 626 HB3 LYS 109 HB2 LYS 109 -7.421 19.986 26.231 627 HG3 LYS 109 HG2 LYS 109 -6.831 19.270 29.086 628 HD3 LYS 109 HD2 LYS 109 -5.670 21.012 27.106 629 HE3 LYS 109 HE2 LYS 109 -6.705 22.283 29.636 630 HZ1 LYS 109 HZ1 LYS 109 -5.413 24.238 28.858 631 HZ2 LYS 109 HZ2 LYS 109 -4.623 23.237 27.747 632 HZ3 LYS 109 HZ3 LYS 109 -4.450 22.961 29.409 Start of MODEL 4 1 H1 MET 1 H MET 1 0.934 48.085 36.647 2 HA MET 1 HA MET 1 -0.020 47.122 34.718 3 HB3 MET 1 HB2 MET 1 -1.941 48.344 33.606 4 HG3 MET 1 HG2 MET 1 -2.043 46.916 36.152 5 HE1 MET 1 HE1 MET 1 -5.229 49.308 34.403 6 HE2 MET 1 HE2 MET 1 -4.789 47.668 33.929 7 HE3 MET 1 HE3 MET 1 -6.151 47.936 35.016 8 H SER 2 H SER 2 2.229 47.972 34.347 9 HA SER 2 HA SER 2 2.172 49.735 32.044 10 HB3 SER 2 HB2 SER 2 2.616 50.993 34.364 11 HG SER 2 HG SER 2 5.125 51.179 34.127 12 H ASP 3 H ASP 3 4.815 50.111 31.607 13 HA ASP 3 HA ASP 3 6.275 47.648 31.983 14 HB3 ASP 3 HB2 ASP 3 6.605 47.537 29.392 15 H ALA 4 H ALA 4 6.969 50.061 32.934 16 HA ALA 4 HA ALA 4 9.544 50.469 31.910 17 HB1 ALA 4 HB1 ALA 4 8.617 51.519 30.007 18 HB2 ALA 4 HB2 ALA 4 7.485 52.455 30.983 19 HB3 ALA 4 HB3 ALA 4 9.209 52.818 31.044 20 H GLY 5 H GLY 5 10.771 51.909 33.171 21 HA2 GLY 5 HA2 GLY 5 10.843 53.729 34.792 22 HA3 GLY 5 HA3 GLY 5 9.325 53.124 35.441 23 H ARG 6 H ARG 6 9.417 51.858 37.178 24 HA ARG 6 HA ARG 6 10.257 50.647 38.911 25 HB3 ARG 6 HB2 ARG 6 11.594 48.756 38.385 26 HG3 ARG 6 HG2 ARG 6 10.011 49.468 35.925 27 HD3 ARG 6 HD2 ARG 6 10.604 46.670 36.750 28 HE ARG 6 HE ARG 6 9.346 47.772 34.563 29 HH11 ARG 6 HH11 ARG 6 12.007 45.598 35.121 30 HH12 ARG 6 HH12 ARG 6 11.774 44.727 33.642 31 HH21 ARG 6 HH21 ARG 6 9.030 46.633 32.614 32 HH22 ARG 6 HH22 ARG 6 10.081 45.317 32.215 33 H LYS 7 H LYS 7 12.533 49.956 39.941 34 HA LYS 7 HA LYS 7 14.763 51.621 39.509 35 HB3 LYS 7 HB2 LYS 7 13.229 53.369 40.342 36 HG3 LYS 7 HG2 LYS 7 13.241 52.795 43.112 37 HD3 LYS 7 HD2 LYS 7 10.868 52.777 41.258 38 HE3 LYS 7 HE2 LYS 7 11.293 52.986 44.134 39 HZ1 LYS 7 HZ1 LYS 7 9.128 54.591 43.890 40 HZ2 LYS 7 HZ2 LYS 7 10.188 55.242 42.743 41 HZ3 LYS 7 HZ3 LYS 7 10.673 55.099 44.358 42 H GLY 8 H GLY 8 15.920 51.791 41.954 43 HA2 GLY 8 HA2 GLY 8 16.849 49.217 42.441 44 HA3 GLY 8 HA3 GLY 8 17.016 50.566 43.555 45 H PHE 9 H PHE 9 14.005 50.781 43.649 46 HA PHE 9 HA PHE 9 13.639 49.147 45.949 47 HB3 PHE 9 HB2 PHE 9 11.155 50.134 44.841 48 HD1 PHE 9 HD2 PHE 9 11.749 48.627 47.250 49 HD2 PHE 9 HD1 PHE 9 11.865 52.827 46.570 50 HE1 PHE 9 HE2 PHE 9 11.341 49.023 49.643 51 HE2 PHE 9 HE1 PHE 9 11.459 53.229 48.963 52 HZ PHE 9 HZ PHE 9 11.195 51.326 50.503 53 H GLY 10 H GLY 10 12.991 48.745 42.574 54 HA2 GLY 10 HA2 GLY 10 10.923 46.878 42.610 55 HA3 GLY 10 HA3 GLY 10 12.171 46.969 41.376 56 H GLU 11 H GLU 11 14.424 46.193 42.481 57 HA GLU 11 HA GLU 11 14.279 43.437 42.636 58 HB3 GLU 11 HB2 GLU 11 16.523 44.291 44.177 59 HG3 GLU 11 HG2 GLU 11 17.064 43.967 41.354 60 H LYS 12 H LYS 12 14.628 45.739 45.331 61 HA LYS 12 HA LYS 12 14.583 43.855 47.399 62 HB3 LYS 12 HB2 LYS 12 14.150 45.691 48.878 63 HG3 LYS 12 HG2 LYS 12 15.506 47.363 46.907 64 HD3 LYS 12 HD2 LYS 12 16.831 46.179 49.287 65 HE3 LYS 12 HE2 LYS 12 16.947 48.604 47.663 66 HZ1 LYS 12 HZ1 LYS 12 17.722 49.120 50.413 67 HZ2 LYS 12 HZ2 LYS 12 16.059 49.150 50.108 68 HZ3 LYS 12 HZ3 LYS 12 17.095 50.173 49.247 69 H ALA 13 H ALA 13 11.941 45.662 45.875 70 HA ALA 13 HA ALA 13 9.836 44.891 47.491 71 HB1 ALA 13 HB1 ALA 13 9.018 46.366 46.011 72 HB2 ALA 13 HB2 ALA 13 10.125 45.854 44.736 73 HB3 ALA 13 HB3 ALA 13 8.652 44.935 45.046 74 H SER 14 H SER 14 10.998 43.251 44.546 75 HA SER 14 HA SER 14 9.217 41.084 44.680 76 HB3 SER 14 HB2 SER 14 12.001 41.001 43.502 77 HG SER 14 HG SER 14 9.667 39.501 43.245 78 H GLU 15 H GLU 15 12.198 41.742 46.335 79 HA GLU 15 HA GLU 15 12.633 39.033 47.194 80 HB3 GLU 15 HB2 GLU 15 14.278 40.205 48.788 81 HG3 GLU 15 HG2 GLU 15 15.277 41.173 46.296 82 H ALA 16 H ALA 16 11.103 41.910 48.492 83 HA ALA 16 HA ALA 16 10.812 41.023 51.156 84 HB1 ALA 16 HB1 ALA 16 10.565 43.369 50.479 85 HB2 ALA 16 HB2 ALA 16 9.074 42.958 49.630 86 HB3 ALA 16 HB3 ALA 16 9.165 42.792 51.383 87 H LEU 17 H LEU 17 8.584 40.912 48.383 88 HA LEU 17 HA LEU 17 6.499 39.589 49.764 89 HB3 LEU 17 HB2 LEU 17 6.135 40.843 47.704 90 HG LEU 17 HG LEU 17 8.266 39.767 46.540 91 HD11 LEU 17 HD11 LEU 17 6.300 38.221 45.004 92 HD12 LEU 17 HD12 LEU 17 6.692 37.562 46.592 93 HD13 LEU 17 HD13 LEU 17 7.975 37.848 45.415 94 HD21 LEU 17 HD21 LEU 17 6.988 41.642 45.677 95 HD22 LEU 17 HD22 LEU 17 5.724 40.550 45.113 96 HD23 LEU 17 HD23 LEU 17 7.332 40.491 44.387 97 H LYS 18 H LYS 18 9.206 38.440 47.811 98 HA LYS 18 HA LYS 18 8.558 35.787 47.488 99 HB3 LYS 18 HB2 LYS 18 11.327 35.949 48.201 100 HG3 LYS 18 HG2 LYS 18 10.945 36.218 45.390 101 HD3 LYS 18 HD2 LYS 18 11.377 33.602 46.756 102 HE3 LYS 18 HE2 LYS 18 11.513 34.140 44.214 103 HZ1 LYS 18 HZ1 LYS 18 12.951 35.952 44.127 104 HZ2 LYS 18 HZ2 LYS 18 13.937 34.648 43.693 105 HZ3 LYS 18 HZ3 LYS 18 14.027 35.293 45.254 106 HA PRO 19 HA PRO 19 8.230 34.632 51.823 107 HB3 PRO 19 HB2 PRO 19 6.201 33.696 51.293 108 HG3 PRO 19 HG2 PRO 19 5.768 32.902 49.151 109 HD3 PRO 19 HD2 PRO 19 6.584 34.995 48.640 110 H ASP 20 H ASP 20 8.628 32.202 52.767 111 HA ASP 20 HA ASP 20 11.400 31.819 52.671 112 HB3 ASP 20 HB2 ASP 20 11.039 29.879 54.046 113 H SER 21 H SER 21 12.017 29.226 52.401 114 HA SER 21 HA SER 21 12.447 28.871 49.698 115 HB3 SER 21 HB2 SER 21 13.571 27.001 50.316 116 HG SER 21 HG SER 21 12.901 27.285 52.989 117 H GLN 22 H GLN 22 10.840 28.881 48.244 118 HA GLN 22 HA GLN 22 8.493 27.182 48.729 119 HB3 GLN 22 HB2 GLN 22 8.309 28.857 46.374 120 HG3 GLN 22 HG2 GLN 22 6.758 29.193 48.914 121 HE21 GLN 22 HE21 GLN 22 7.287 31.244 47.196 122 HE22 GLN 22 HE22 GLN 22 5.876 31.611 46.269 123 H LYS 23 H LYS 23 7.572 26.773 46.210 124 HA LYS 23 HA LYS 23 8.925 24.531 45.335 125 HB3 LYS 23 HB2 LYS 23 7.595 25.899 43.138 126 HG3 LYS 23 HG2 LYS 23 6.510 23.567 44.671 127 HD3 LYS 23 HD2 LYS 23 6.569 24.167 41.716 128 HE3 LYS 23 HE2 LYS 23 6.275 21.797 42.368 129 HZ1 LYS 23 HZ1 LYS 23 5.203 21.764 44.393 130 HZ2 LYS 23 HZ2 LYS 23 3.944 21.367 43.337 131 HZ3 LYS 23 HZ3 LYS 23 4.067 22.938 43.951 132 H SER 24 H SER 24 10.908 24.343 44.548 133 HA SER 24 HA SER 24 12.281 26.575 43.361 134 HB3 SER 24 HB2 SER 24 13.551 23.945 43.084 135 HG SER 24 HG SER 24 14.764 25.823 43.001 136 H TYR 25 H TYR 25 10.073 24.449 42.174 137 HA TYR 25 HA TYR 25 11.061 23.509 39.769 138 HB3 TYR 25 HB2 TYR 25 8.400 24.350 39.284 139 HD1 TYR 25 HD1 TYR 25 9.687 21.563 41.413 140 HD2 TYR 25 HD2 TYR 25 8.010 22.727 37.680 141 HE1 TYR 25 HE1 TYR 25 9.540 19.200 40.749 142 HE2 TYR 25 HE2 TYR 25 7.859 20.368 37.006 143 HH TYR 25 HH TYR 25 7.701 18.016 38.560 144 H ALA 26 H ALA 26 10.164 26.741 40.675 145 HA ALA 26 HA ALA 26 9.699 27.958 38.245 146 HB1 ALA 26 HB1 ALA 26 11.320 29.210 40.451 147 HB2 ALA 26 HB2 ALA 26 10.289 30.017 39.269 148 HB3 ALA 26 HB3 ALA 26 9.569 29.008 40.525 149 H GLU 27 H GLU 27 12.835 27.361 39.811 150 HA GLU 27 HA GLU 27 14.318 28.460 37.610 151 HB3 GLU 27 HB2 GLU 27 15.772 26.673 39.422 152 HG3 GLU 27 HG2 GLU 27 16.178 29.605 39.397 153 H GLN 28 H GLN 28 13.427 25.239 38.726 154 HA GLN 28 HA GLN 28 15.051 23.687 37.103 155 HB3 GLN 28 HB2 GLN 28 13.389 21.919 37.366 156 HG3 GLN 28 HG2 GLN 28 13.289 23.492 39.916 157 HE21 GLN 28 HE21 GLN 28 14.591 20.361 38.944 158 HE22 GLN 28 HE22 GLN 28 13.545 19.414 39.941 159 H GLY 29 H GLY 29 11.764 24.878 36.404 160 HA2 GLY 29 HA2 GLY 29 11.576 23.823 33.811 161 HA3 GLY 29 HA3 GLY 29 10.663 25.199 34.416 162 H LYS 30 H LYS 30 12.447 27.133 34.810 163 HA LYS 30 HA LYS 30 12.912 28.227 32.328 164 HB3 LYS 30 HB2 LYS 30 14.451 29.793 33.460 165 HG3 LYS 30 HG2 LYS 30 11.907 29.078 34.862 166 HD3 LYS 30 HD2 LYS 30 13.937 30.275 36.229 167 HE3 LYS 30 HE2 LYS 30 12.229 32.459 35.036 168 HZ1 LYS 30 HZ1 LYS 30 12.588 33.238 37.134 169 HZ2 LYS 30 HZ2 LYS 30 14.013 33.774 36.396 170 HZ3 LYS 30 HZ3 LYS 30 14.029 32.377 37.349 171 H GLU 31 H GLU 31 15.342 26.663 34.421 172 HA GLU 31 HA GLU 31 17.477 26.804 32.630 173 HB3 GLU 31 HB2 GLU 31 18.500 25.020 33.959 174 HG3 GLU 31 HG2 GLU 31 17.493 26.064 36.317 175 H TYR 32 H TYR 32 14.799 24.575 32.820 176 HA TYR 32 HA TYR 32 15.804 22.480 31.266 177 HB3 TYR 32 HB2 TYR 32 12.934 23.425 31.303 178 HD1 TYR 32 HD1 TYR 32 12.746 22.418 29.008 179 HD2 TYR 32 HD2 TYR 32 13.884 20.129 32.410 180 HE1 TYR 32 HE1 TYR 32 12.195 20.351 27.795 181 HE2 TYR 32 HE2 TYR 32 13.337 18.055 31.205 182 HH TYR 32 HH TYR 32 13.162 17.672 28.188 183 H ILE 33 H ILE 33 13.929 25.338 30.282 184 HA ILE 33 HA ILE 33 13.928 24.747 27.521 185 HB ILE 33 HB ILE 33 13.793 27.523 28.682 186 HG13 ILE 33 HG12 ILE 33 12.020 25.271 29.122 187 HG21 ILE 33 HG21 ILE 33 12.675 26.248 26.193 188 HG22 ILE 33 HG22 ILE 33 12.251 27.865 26.752 189 HG23 ILE 33 HG23 ILE 33 13.914 27.498 26.295 190 HD11 ILE 33 HD11 ILE 33 12.817 27.074 30.761 191 HD12 ILE 33 HD12 ILE 33 11.533 28.064 30.065 192 HD13 ILE 33 HD13 ILE 33 11.141 26.535 30.851 193 H THR 34 H THR 34 15.951 26.966 29.435 194 HA THR 34 HA THR 34 17.549 28.003 27.459 195 HB THR 34 HB THR 34 19.328 28.250 29.163 196 HG1 THR 34 HG1 THR 34 19.329 26.611 30.534 197 HG21 THR 34 HG21 THR 34 17.381 29.800 29.067 198 HG22 THR 34 HG22 THR 34 18.089 29.659 30.676 199 HG23 THR 34 HG23 THR 34 16.588 28.816 30.296 200 H ASP 35 H ASP 35 18.127 25.001 29.286 201 HA ASP 35 HA ASP 35 20.507 24.242 28.077 202 HB3 ASP 35 HB2 ASP 35 18.629 22.040 28.655 203 H LYS 36 H LYS 36 17.198 23.870 26.969 204 HA LYS 36 HA LYS 36 17.818 22.134 24.790 205 HB3 LYS 36 HB2 LYS 36 15.527 22.688 24.011 206 HG3 LYS 36 HG2 LYS 36 14.446 22.267 26.454 207 HD3 LYS 36 HD2 LYS 36 15.770 19.866 25.487 208 HE3 LYS 36 HE2 LYS 36 12.967 20.884 25.778 209 HZ1 LYS 36 HZ1 LYS 36 13.818 18.899 23.944 210 HZ2 LYS 36 HZ2 LYS 36 12.259 19.491 24.228 211 HZ3 LYS 36 HZ3 LYS 36 12.854 18.202 25.147 212 H ALA 37 H ALA 37 17.329 25.625 25.116 213 HA ALA 37 HA ALA 37 17.467 26.299 22.403 214 HB1 ALA 37 HB1 ALA 37 16.726 27.816 24.221 215 HB2 ALA 37 HB2 ALA 37 18.411 27.985 24.715 216 HB3 ALA 37 HB3 ALA 37 17.900 28.548 23.126 217 H ASP 38 H ASP 38 19.936 25.398 24.654 218 HA ASP 38 HA ASP 38 22.115 26.470 23.101 219 HB3 ASP 38 HB2 ASP 38 22.738 24.360 25.052 220 H LYS 39 H LYS 39 20.645 23.301 23.637 221 HA LYS 39 HA LYS 39 22.522 21.834 22.099 222 HB3 LYS 39 HB2 LYS 39 20.237 20.338 21.968 223 HG3 LYS 39 HG2 LYS 39 21.192 19.963 24.593 224 HD3 LYS 39 HD2 LYS 39 21.408 18.627 21.952 225 HE3 LYS 39 HE2 LYS 39 22.782 16.826 23.090 226 HZ1 LYS 39 HZ1 LYS 39 23.871 18.053 21.436 227 HZ2 LYS 39 HZ2 LYS 39 24.916 18.100 22.765 228 HZ3 LYS 39 HZ3 LYS 39 23.963 19.448 22.391 229 H VAL 40 H VAL 40 19.299 23.135 21.350 230 HA VAL 40 HA VAL 40 19.159 22.209 18.703 231 HB VAL 40 HB VAL 40 17.187 23.038 19.857 232 HG11 VAL 40 HG11 VAL 40 17.865 25.883 19.502 233 HG12 VAL 40 HG12 VAL 40 16.970 25.078 20.794 234 HG13 VAL 40 HG13 VAL 40 18.734 25.043 20.786 235 HG21 VAL 40 HG21 VAL 40 16.267 24.469 18.066 236 HG22 VAL 40 HG22 VAL 40 17.894 24.657 17.411 237 HG23 VAL 40 HG23 VAL 40 17.135 23.066 17.440 238 H ALA 41 H ALA 41 20.548 25.135 20.090 239 HA ALA 41 HA ALA 41 21.107 26.352 17.556 240 HB1 ALA 41 HB1 ALA 41 21.789 26.979 20.395 241 HB2 ALA 41 HB2 ALA 41 22.626 27.810 19.084 242 HB3 ALA 41 HB3 ALA 41 20.872 27.928 19.224 243 H GLY 42 H GLY 42 22.986 24.547 19.961 244 HA2 GLY 42 HA2 GLY 42 25.478 24.815 18.610 245 HA3 GLY 42 HA3 GLY 42 25.104 23.654 19.876 246 H LYS 43 H LYS 43 22.873 22.465 18.444 247 HA LYS 43 HA LYS 43 24.282 20.468 17.027 248 HB3 LYS 43 HB2 LYS 43 21.731 20.066 16.225 249 HG3 LYS 43 HG2 LYS 43 21.349 18.740 18.243 250 HD3 LYS 43 HD2 LYS 43 24.111 18.027 18.035 251 HE3 LYS 43 HE2 LYS 43 21.461 16.954 17.321 252 HZ1 LYS 43 HZ1 LYS 43 23.920 15.896 16.034 253 HZ2 LYS 43 HZ2 LYS 43 22.658 16.678 15.224 254 HZ3 LYS 43 HZ3 LYS 43 22.383 15.189 15.979 255 H VAL 44 H VAL 44 22.891 23.475 16.069 256 HA VAL 44 HA VAL 44 23.111 22.757 13.229 257 HB VAL 44 HB VAL 44 20.974 23.735 13.839 258 HG11 VAL 44 HG11 VAL 44 22.549 26.136 14.761 259 HG12 VAL 44 HG12 VAL 44 20.790 26.001 14.709 260 HG13 VAL 44 HG13 VAL 44 21.723 24.987 15.811 261 HG21 VAL 44 HG21 VAL 44 22.557 24.526 11.754 262 HG22 VAL 44 HG22 VAL 44 20.844 24.903 11.931 263 HG23 VAL 44 HG23 VAL 44 22.062 26.067 12.454 264 H GLN 45 H GLN 45 24.474 23.818 11.853 265 HA GLN 45 HA GLN 45 26.381 25.683 13.102 266 HB3 GLN 45 HB2 GLN 45 27.692 24.837 10.890 267 HG3 GLN 45 HG2 GLN 45 28.208 24.651 13.485 268 HE21 GLN 45 HE21 GLN 45 29.607 22.440 14.196 269 HE22 GLN 45 HE22 GLN 45 28.527 21.142 14.562 270 HA PRO 46 HA PRO 46 24.042 28.071 9.884 271 HB3 PRO 46 HB2 PRO 46 22.610 28.928 11.462 272 HG3 PRO 46 HG2 PRO 46 23.216 29.025 13.705 273 HD3 PRO 46 HD2 PRO 46 23.732 26.825 13.249 274 H GLU 47 H GLU 47 24.518 30.740 9.725 275 HA GLU 47 HA GLU 47 27.126 31.624 10.177 276 HB3 GLU 47 HB2 GLU 47 28.049 30.050 8.721 277 HG3 GLU 47 HG2 GLU 47 25.583 30.420 7.094 278 H ASP 48 H ASP 48 26.861 33.747 10.173 279 HA ASP 48 HA ASP 48 25.534 35.054 7.940 280 HB3 ASP 48 HB2 ASP 48 23.744 34.574 9.622 281 H ASN 49 H ASN 49 25.389 37.603 8.867 282 HA ASN 49 HA ASN 49 27.952 38.581 8.583 283 HB3 ASN 49 HB2 ASN 49 26.085 40.177 10.262 284 HD21 ASN 49 HD21 ASN 49 28.633 40.754 10.062 285 HD22 ASN 49 HD22 ASN 49 28.925 42.026 8.929 286 H LYS 50 H LYS 50 26.321 37.486 11.461 287 HA LYS 50 HA LYS 50 27.065 37.067 13.571 288 HB3 LYS 50 HB2 LYS 50 29.861 37.695 12.654 289 HG3 LYS 50 HG2 LYS 50 29.370 37.068 15.059 290 HD3 LYS 50 HD2 LYS 50 28.917 34.371 13.778 291 HE3 LYS 50 HE2 LYS 50 28.410 34.724 16.637 292 HZ1 LYS 50 HZ1 LYS 50 30.131 32.680 16.316 293 HZ2 LYS 50 HZ2 LYS 50 29.357 32.702 14.813 294 HZ3 LYS 50 HZ3 LYS 50 28.447 32.542 16.231 295 H GLY 51 H GLY 51 27.586 38.169 15.494 296 HA2 GLY 51 HA2 GLY 51 28.703 40.827 15.400 297 HA3 GLY 51 HA3 GLY 51 26.973 40.806 15.705 298 H VAL 52 H VAL 52 30.059 40.542 17.068 299 HA VAL 52 HA VAL 52 29.652 38.955 19.314 300 HB VAL 52 HB VAL 52 31.334 41.461 19.176 301 HG11 VAL 52 HG11 VAL 52 31.540 39.043 20.968 302 HG12 VAL 52 HG12 VAL 52 32.650 40.415 20.945 303 HG13 VAL 52 HG13 VAL 52 30.975 40.642 21.452 304 HG21 VAL 52 HG21 VAL 52 32.031 38.607 18.490 305 HG22 VAL 52 HG22 VAL 52 31.893 39.952 17.357 306 HG23 VAL 52 HG23 VAL 52 33.176 39.947 18.568 307 H PHE 53 H PHE 53 28.476 42.123 18.583 308 HA PHE 53 HA PHE 53 28.019 43.203 21.086 309 HB3 PHE 53 HB2 PHE 53 25.765 43.940 19.677 310 HD1 PHE 53 HD2 PHE 53 29.435 44.465 19.243 311 HD2 PHE 53 HD1 PHE 53 25.628 46.195 20.032 312 HE1 PHE 53 HE2 PHE 53 30.500 46.663 19.538 313 HE2 PHE 53 HE1 PHE 53 26.685 48.397 20.327 314 HZ PHE 53 HZ PHE 53 29.125 48.633 20.083 315 H GLN 54 H GLN 54 26.015 40.916 19.267 316 HA GLN 54 HA GLN 54 23.880 40.812 21.099 317 HB3 GLN 54 HB2 GLN 54 23.941 38.313 19.912 318 HG3 GLN 54 HG2 GLN 54 22.751 39.969 18.014 319 HE21 GLN 54 HE21 GLN 54 22.275 38.614 21.244 320 HE22 GLN 54 HE22 GLN 54 20.853 37.715 20.850 321 H GLY 55 H GLY 55 27.014 39.337 21.085 322 HA2 GLY 55 HA2 GLY 55 26.310 37.356 23.089 323 HA3 GLY 55 HA3 GLY 55 27.903 37.618 22.393 324 H VAL 56 H VAL 56 28.674 40.028 22.966 325 HA VAL 56 HA VAL 56 29.412 40.023 25.624 326 HB VAL 56 HB VAL 56 30.584 41.391 24.015 327 HG11 VAL 56 HG11 VAL 56 28.005 42.219 23.265 328 HG12 VAL 56 HG12 VAL 56 28.844 43.659 23.844 329 HG13 VAL 56 HG13 VAL 56 29.545 42.691 22.546 330 HG21 VAL 56 HG21 VAL 56 30.949 43.339 25.333 331 HG22 VAL 56 HG22 VAL 56 29.336 43.240 26.039 332 HG23 VAL 56 HG23 VAL 56 30.551 42.029 26.445 333 H HIS 57 H HIS 57 26.506 41.268 24.152 334 HA HIS 57 HA HIS 57 25.680 42.775 26.458 335 HB3 HIS 57 HB2 HIS 57 23.418 42.671 25.124 336 HD1 HIS 57 HD1 HIS 57 23.158 45.125 25.132 337 HD2 HIS 57 HD2 HIS 57 26.723 43.960 23.342 338 HE1 HIS 57 HE1 HIS 57 24.225 47.249 24.314 339 H ASP 58 H ASP 58 25.107 39.568 25.163 340 HA ASP 58 HA ASP 58 22.978 38.926 26.964 341 HB3 ASP 58 HB2 ASP 58 24.634 36.777 25.730 342 H SER 59 H SER 59 26.431 38.847 27.107 343 HA SER 59 HA SER 59 26.910 36.888 29.006 344 HB3 SER 59 HB2 SER 59 29.010 37.864 29.319 345 HG SER 59 HG SER 59 29.353 37.764 27.255 346 H ALA 60 H ALA 60 25.494 40.036 29.377 347 HA ALA 60 HA ALA 60 25.872 40.559 32.062 348 HB1 ALA 60 HB1 ALA 60 24.714 42.315 31.335 349 HB2 ALA 60 HB2 ALA 60 24.012 41.393 30.005 350 HB3 ALA 60 HB3 ALA 60 23.260 41.352 31.600 351 H GLU 61 H GLU 61 23.815 38.189 30.549 352 HA GLU 61 HA GLU 61 22.515 37.566 33.095 353 HB3 GLU 61 HB2 GLU 61 21.689 35.762 31.078 354 HG3 GLU 61 HG2 GLU 61 20.193 36.568 32.777 355 H LYS 62 H LYS 62 23.793 35.527 30.469 356 HA LYS 62 HA LYS 62 25.802 34.269 31.947 357 HB3 LYS 62 HB2 LYS 62 23.726 32.213 31.716 358 HG3 LYS 62 HG2 LYS 62 25.309 33.040 34.134 359 HD3 LYS 62 HD2 LYS 62 23.697 30.658 33.332 360 HE3 LYS 62 HE2 LYS 62 25.580 30.365 35.602 361 HZ1 LYS 62 HZ1 LYS 62 24.107 28.660 33.752 362 HZ2 LYS 62 HZ2 LYS 62 24.366 28.485 35.415 363 HZ3 LYS 62 HZ3 LYS 62 25.586 28.065 34.321 364 H GLY 63 H GLY 63 25.889 31.746 30.947 365 HA2 GLY 63 HA2 GLY 63 25.180 30.905 28.564 366 HA3 GLY 63 HA3 GLY 63 26.158 32.282 28.081 367 H LYS 64 H LYS 64 26.269 29.275 29.958 368 HA LYS 64 HA LYS 64 28.671 28.410 28.759 369 HB3 LYS 64 HB2 LYS 64 28.917 29.569 31.539 370 HG3 LYS 64 HG2 LYS 64 31.445 28.848 30.678 371 HD3 LYS 64 HD2 LYS 64 29.519 27.723 32.684 372 HE3 LYS 64 HE2 LYS 64 30.851 25.822 32.113 373 HZ1 LYS 64 HZ1 LYS 64 32.941 27.779 31.795 374 HZ2 LYS 64 HZ2 LYS 64 32.766 26.256 31.079 375 HZ3 LYS 64 HZ3 LYS 64 33.434 26.391 32.628 376 H ASP 65 H ASP 65 28.048 26.349 28.624 377 HA ASP 65 HA ASP 65 28.063 24.633 30.829 378 HB3 ASP 65 HB2 ASP 65 25.335 25.540 29.929 379 H ASN 66 H ASN 66 28.529 22.665 30.083 380 HA ASN 66 HA ASN 66 27.283 21.366 27.946 381 HB3 ASN 66 HB2 ASN 66 29.743 21.547 26.662 382 HD21 ASN 66 HD21 ASN 66 27.816 20.441 25.626 383 HD22 ASN 66 HD22 ASN 66 26.909 21.384 24.498 384 H ALA 67 H ALA 67 30.763 21.580 28.647 385 HA ALA 67 HA ALA 67 32.240 20.084 29.522 386 HB1 ALA 67 HB1 ALA 67 30.425 20.186 31.375 387 HB2 ALA 67 HB2 ALA 67 30.012 18.567 30.810 388 HB3 ALA 67 HB3 ALA 67 31.635 18.903 31.413 389 H GLU 68 H GLU 68 32.983 17.850 29.354 390 HA GLU 68 HA GLU 68 31.562 15.799 28.096 391 HB3 GLU 68 HB2 GLU 68 31.438 17.056 26.101 392 HG3 GLU 68 HG2 GLU 68 34.392 17.599 26.236 393 H GLY 69 H GLY 69 32.909 13.963 27.542 394 HA2 GLY 69 HA2 GLY 69 35.553 13.607 27.463 395 HA3 GLY 69 HA3 GLY 69 35.316 13.919 29.177 396 H GLN 70 H GLN 70 32.573 12.578 28.829 397 HA GLN 70 HA GLN 70 33.179 10.118 29.921 398 HB3 GLN 70 HB2 GLN 70 30.833 9.508 28.827 399 HG3 GLN 70 HG2 GLN 70 30.901 11.725 30.847 400 HE21 GLN 70 HE21 GLN 70 29.612 8.458 30.321 401 HE22 GLN 70 HE22 GLN 70 27.975 8.860 30.694 402 H GLY 71 H GLY 71 33.484 8.056 29.152 403 HA2 GLY 71 HA2 GLY 71 34.631 7.825 26.545 404 HA3 GLY 71 HA3 GLY 71 34.382 6.517 27.691 405 H GLU 72 H GLU 72 31.651 6.567 28.020 406 HA GLU 72 HA GLU 72 30.727 5.031 25.922 407 HB3 GLU 72 HB2 GLU 72 29.523 4.900 27.937 408 HG3 GLU 72 HG2 GLU 72 29.785 7.767 27.995 409 H SER 73 H SER 73 30.314 5.505 23.878 410 HA SER 73 HA SER 73 30.203 8.170 22.908 411 HB3 SER 73 HB2 SER 73 30.867 6.983 21.115 412 HG SER 73 HG SER 73 31.228 5.058 22.032 413 H LEU 74 H LEU 74 28.522 9.336 23.731 414 HA LEU 74 HA LEU 74 25.928 8.500 24.201 415 HB3 LEU 74 HB2 LEU 74 26.927 11.215 23.354 416 HG LEU 74 HG LEU 74 24.515 11.251 23.107 417 HD11 LEU 74 HD11 LEU 74 23.632 9.512 24.329 418 HD12 LEU 74 HD12 LEU 74 23.215 10.897 25.338 419 HD13 LEU 74 HD13 LEU 74 24.596 9.883 25.759 420 HD21 LEU 74 HD21 LEU 74 26.015 12.946 24.680 421 HD22 LEU 74 HD22 LEU 74 24.608 12.593 25.684 422 HD23 LEU 74 HD23 LEU 74 24.391 13.260 24.066 423 H ALA 75 H ALA 75 27.469 9.348 21.201 424 HA ALA 75 HA ALA 75 25.301 9.928 19.578 425 HB1 ALA 75 HB1 ALA 75 27.082 10.194 18.263 426 HB2 ALA 75 HB2 ALA 75 28.044 9.043 19.191 427 HB3 ALA 75 HB3 ALA 75 26.954 8.466 17.931 428 H ASP 76 H ASP 76 26.561 6.788 20.589 429 HA ASP 76 HA ASP 76 24.772 5.279 18.942 430 HB3 ASP 76 HB2 ASP 76 25.911 3.999 21.354 431 H GLN 77 H GLN 77 24.711 6.538 22.202 432 HA GLN 77 HA GLN 77 22.441 5.004 23.040 433 HB3 GLN 77 HB2 GLN 77 23.843 7.413 24.185 434 HG3 GLN 77 HG2 GLN 77 21.496 7.549 24.854 435 HE21 GLN 77 HE21 GLN 77 22.923 4.583 26.185 436 HE22 GLN 77 HE22 GLN 77 21.438 3.703 26.267 437 H ALA 78 H ALA 78 22.936 8.002 21.379 438 HA ALA 78 HA ALA 78 20.400 9.170 21.893 439 HB1 ALA 78 HB1 ALA 78 22.722 9.753 20.250 440 HB2 ALA 78 HB2 ALA 78 21.207 10.168 19.448 441 HB3 ALA 78 HB3 ALA 78 21.582 10.850 21.030 442 H ARG 79 H ARG 79 21.664 7.296 19.142 443 HA ARG 79 HA ARG 79 19.308 7.318 17.617 444 HB3 ARG 79 HB2 ARG 79 20.414 5.011 16.820 445 HG3 ARG 79 HG2 ARG 79 22.101 6.404 15.487 446 HD3 ARG 79 HD2 ARG 79 19.397 5.944 15.177 447 HE ARG 79 HE ARG 79 18.422 8.002 15.272 448 HH11 ARG 79 HH11 ARG 79 21.583 8.332 13.852 449 HH12 ARG 79 HH12 ARG 79 21.382 10.011 13.474 450 HH21 ARG 79 HH21 ARG 79 18.144 10.213 14.780 451 HH22 ARG 79 HH22 ARG 79 19.426 11.080 14.003 452 H ASP 80 H ASP 80 20.260 5.436 20.370 453 HA ASP 80 HA ASP 80 18.311 3.363 20.006 454 HB3 ASP 80 HB2 ASP 80 19.333 3.867 22.731 455 H TYR 81 H TYR 81 18.517 6.340 21.897 456 HA TYR 81 HA TYR 81 16.019 5.936 23.232 457 HB3 TYR 81 HB2 TYR 81 17.595 8.493 22.872 458 HD1 TYR 81 HD2 TYR 81 15.048 6.664 24.875 459 HD2 TYR 81 HD1 TYR 81 16.852 10.412 23.980 460 HE1 TYR 81 HE2 TYR 81 13.343 7.802 26.233 461 HE2 TYR 81 HE1 TYR 81 15.154 11.561 25.338 462 HH TYR 81 HH TYR 81 13.187 10.017 27.513 463 H MET 82 H MET 82 17.086 7.747 20.396 464 HA MET 82 HA MET 82 14.659 9.103 19.916 465 HB3 MET 82 HB2 MET 82 15.698 8.938 17.440 466 HG3 MET 82 HG2 MET 82 17.333 10.799 18.179 467 HE1 MET 82 HE1 MET 82 14.527 13.030 19.869 468 HE2 MET 82 HE2 MET 82 13.221 11.891 19.535 469 HE3 MET 82 HE3 MET 82 14.653 11.357 20.417 470 H GLY 83 H GLY 83 16.006 6.182 18.361 471 HA2 GLY 83 HA2 GLY 83 13.822 5.579 16.746 472 HA3 GLY 83 HA3 GLY 83 14.969 4.397 17.359 473 H ALA 84 H ALA 84 14.296 4.988 20.162 474 HA ALA 84 HA ALA 84 12.269 3.061 20.517 475 HB1 ALA 84 HB1 ALA 84 14.061 4.560 22.174 476 HB2 ALA 84 HB2 ALA 84 12.444 4.568 22.880 477 HB3 ALA 84 HB3 ALA 84 13.237 3.036 22.513 478 H ALA 85 H ALA 85 12.240 6.598 20.691 479 HA ALA 85 HA ALA 85 9.575 6.865 21.581 480 HB1 ALA 85 HB1 ALA 85 11.706 8.602 20.750 481 HB2 ALA 85 HB2 ALA 85 10.176 9.131 20.051 482 HB3 ALA 85 HB3 ALA 85 10.329 8.941 21.798 483 H LYS 86 H LYS 86 10.994 6.438 18.413 484 HA LYS 86 HA LYS 86 8.778 7.220 16.857 485 HB3 LYS 86 HB2 LYS 86 9.851 6.024 15.036 486 HG3 LYS 86 HG2 LYS 86 12.072 6.960 15.038 487 HD3 LYS 86 HD2 LYS 86 10.263 8.831 16.562 488 HE3 LYS 86 HE2 LYS 86 12.177 9.458 14.329 489 HZ1 LYS 86 HZ1 LYS 86 10.343 10.947 15.906 490 HZ2 LYS 86 HZ2 LYS 86 11.231 11.435 14.552 491 HZ3 LYS 86 HZ3 LYS 86 11.914 11.547 16.096 492 H SER 87 H SER 87 9.868 3.959 17.810 493 HA SER 87 HA SER 87 7.673 2.576 16.751 494 HB3 SER 87 HB2 SER 87 9.013 1.560 19.223 495 HG SER 87 HG SER 87 9.153 -0.089 17.179 496 H LYS 88 H LYS 88 8.246 3.860 20.007 497 HA LYS 88 HA LYS 88 5.868 2.903 21.170 498 HB3 LYS 88 HB2 LYS 88 6.269 4.839 22.806 499 HG3 LYS 88 HG2 LYS 88 8.347 3.876 23.737 500 HD3 LYS 88 HD2 LYS 88 7.088 1.376 23.115 501 HE3 LYS 88 HE2 LYS 88 6.130 2.066 25.539 502 HZ1 LYS 88 HZ1 LYS 88 7.988 0.954 26.455 503 HZ2 LYS 88 HZ2 LYS 88 8.978 1.344 25.141 504 HZ3 LYS 88 HZ3 LYS 88 7.710 0.243 24.946 505 H LEU 89 H LEU 89 6.651 6.103 19.815 506 HA LEU 89 HA LEU 89 4.226 7.358 20.218 507 HB3 LEU 89 HB2 LEU 89 6.081 7.631 17.855 508 HG LEU 89 HG LEU 89 4.142 8.859 17.246 509 HD11 LEU 89 HD11 LEU 89 3.959 9.331 20.122 510 HD12 LEU 89 HD12 LEU 89 2.693 9.279 18.894 511 HD13 LEU 89 HD13 LEU 89 3.622 10.758 19.141 512 HD21 LEU 89 HD21 LEU 89 6.608 10.090 17.793 513 HD22 LEU 89 HD22 LEU 89 5.361 11.235 18.287 514 HD23 LEU 89 HD23 LEU 89 5.375 10.601 16.640 515 H ASN 90 H ASN 90 5.239 5.571 17.302 516 HA ASN 90 HA ASN 90 2.822 5.766 15.921 517 HB3 ASN 90 HB2 ASN 90 4.074 3.234 15.378 518 HD21 ASN 90 HD21 ASN 90 2.028 4.427 14.196 519 HD22 ASN 90 HD22 ASN 90 2.473 5.070 12.656 520 H ASP 91 H ASP 91 3.781 3.703 18.543 521 HA ASP 91 HA ASP 91 1.743 1.739 18.216 522 HB3 ASP 91 HB2 ASP 91 2.660 2.128 20.960 523 H ALA 92 H ALA 92 1.978 4.787 19.948 524 HA ALA 92 HA ALA 92 -0.551 4.436 21.292 525 HB1 ALA 92 HB1 ALA 92 1.691 6.125 21.594 526 HB2 ALA 92 HB2 ALA 92 0.293 7.160 21.300 527 HB3 ALA 92 HB3 ALA 92 0.269 6.001 22.630 528 H VAL 93 H VAL 93 0.687 6.432 18.627 529 HA VAL 93 HA VAL 93 -1.582 7.905 18.055 530 HB VAL 93 HB VAL 93 0.289 6.780 15.970 531 HG11 VAL 93 HG11 VAL 93 -1.253 9.371 16.003 532 HG12 VAL 93 HG12 VAL 93 -0.299 8.712 14.672 533 HG13 VAL 93 HG13 VAL 93 -1.787 7.907 15.178 534 HG21 VAL 93 HG21 VAL 93 1.943 7.916 16.922 535 HG22 VAL 93 HG22 VAL 93 1.033 9.406 16.665 536 HG23 VAL 93 HG23 VAL 93 0.857 8.514 18.177 537 H GLU 94 H GLU 94 -0.625 4.809 16.561 538 HA GLU 94 HA GLU 94 -2.809 4.399 14.943 539 HB3 GLU 94 HB2 GLU 94 -2.125 1.894 16.144 540 HG3 GLU 94 HG2 GLU 94 -0.612 2.209 13.816 541 H TYR 95 H TYR 95 -2.522 3.854 18.405 542 HA TYR 95 HA TYR 95 -5.067 2.557 18.652 543 HB3 TYR 95 HB2 TYR 95 -3.393 3.847 20.817 544 HD1 TYR 95 HD1 TYR 95 -5.627 4.450 21.876 545 HD2 TYR 95 HD2 TYR 95 -4.443 0.435 21.116 546 HE1 TYR 95 HE1 TYR 95 -7.298 3.657 23.497 547 HE2 TYR 95 HE2 TYR 95 -6.112 -0.370 22.733 548 HH TYR 95 HH TYR 95 -7.693 1.682 24.916 549 H VAL 96 H VAL 96 -3.834 5.828 19.168 550 HA VAL 96 HA VAL 96 -6.183 6.916 20.288 551 HB VAL 96 HB VAL 96 -4.088 8.375 18.673 552 HG11 VAL 96 HG11 VAL 96 -5.854 9.443 20.866 553 HG12 VAL 96 HG12 VAL 96 -4.819 10.352 19.762 554 HG13 VAL 96 HG13 VAL 96 -6.266 9.549 19.155 555 HG21 VAL 96 HG21 VAL 96 -2.655 7.877 20.298 556 HG22 VAL 96 HG22 VAL 96 -3.672 8.794 21.410 557 HG23 VAL 96 HG23 VAL 96 -3.911 7.057 21.224 558 H SER 97 H SER 97 -4.934 7.002 16.953 559 HA SER 97 HA SER 97 -7.067 8.408 15.819 560 HB3 SER 97 HB2 SER 97 -6.006 6.466 13.964 561 HG SER 97 HG SER 97 -6.371 8.321 13.014 562 H GLY 98 H GLY 98 -6.709 5.028 16.633 563 HA2 GLY 98 HA2 GLY 98 -9.013 4.170 15.135 564 HA3 GLY 98 HA3 GLY 98 -8.104 3.212 16.294 565 H ARG 99 H ARG 99 -8.465 5.482 18.282 566 HA ARG 99 HA ARG 99 -10.998 4.511 19.325 567 HB3 ARG 99 HB2 ARG 99 -10.081 6.347 21.146 568 HG3 ARG 99 HG2 ARG 99 -8.737 4.183 22.004 569 HD3 ARG 99 HD2 ARG 99 -11.701 3.993 22.083 570 HE ARG 99 HE ARG 99 -9.712 3.045 23.714 571 HH11 ARG 99 HH11 ARG 99 -12.508 5.082 24.110 572 HH12 ARG 99 HH12 ARG 99 -12.776 4.616 25.757 573 HH21 ARG 99 HH21 ARG 99 -10.056 2.423 25.881 574 HH22 ARG 99 HH22 ARG 99 -11.379 3.105 26.764 575 H VAL 100 H VAL 100 -9.502 7.623 18.486 576 HA VAL 100 HA VAL 100 -11.553 9.342 19.144 577 HB VAL 100 HB VAL 100 -9.432 10.207 18.400 578 HG11 VAL 100 HG11 VAL 100 -8.584 9.997 16.193 579 HG12 VAL 100 HG12 VAL 100 -9.056 8.376 16.711 580 HG13 VAL 100 HG13 VAL 100 -10.091 9.288 15.610 581 HG21 VAL 100 HG21 VAL 100 -10.180 11.938 16.838 582 HG22 VAL 100 HG22 VAL 100 -11.631 10.999 16.490 583 HG23 VAL 100 HG23 VAL 100 -11.371 11.655 18.106 584 H HIS 101 H HIS 101 -11.122 7.504 16.141 585 HA HIS 101 HA HIS 101 -12.577 6.906 14.498 586 HB3 HIS 101 HB2 HIS 101 -14.816 7.731 16.345 587 HD1 HIS 101 HD1 HIS 101 -16.585 7.812 14.531 588 HD2 HIS 101 HD2 HIS 101 -14.351 4.309 14.475 589 HE1 HIS 101 HE1 HIS 101 -17.770 6.282 12.925 590 H GLY 102 H GLY 102 -14.155 7.775 12.936 591 HA2 GLY 102 HA2 GLY 102 -15.503 9.862 12.453 592 HA3 GLY 102 HA3 GLY 102 -14.042 10.726 12.908 593 H GLU 103 H GLU 103 -12.029 9.875 11.643 594 HA GLU 103 HA GLU 103 -12.744 9.304 8.857 595 HB3 GLU 103 HB2 GLU 103 -10.546 11.195 9.033 596 HG3 GLU 103 HG2 GLU 103 -13.221 11.521 7.701 597 H GLU 104 H GLU 104 -11.716 7.484 8.372 598 HA GLU 104 HA GLU 104 -9.192 6.834 9.671 599 HB3 GLU 104 HB2 GLU 104 -9.543 4.664 8.283 600 HG3 GLU 104 HG2 GLU 104 -10.982 5.551 10.693 601 H ASP 105 H ASP 105 -7.588 5.623 8.155 602 HA ASP 105 HA ASP 105 -7.259 7.212 5.694 603 HB3 ASP 105 HB2 ASP 105 -4.702 6.535 6.311 604 HA PRO 106 HA PRO 106 -6.787 3.502 3.406 605 HB3 PRO 106 HB2 PRO 106 -6.461 4.802 1.541 606 HG3 PRO 106 HG2 PRO 106 -5.233 6.775 1.654 607 HD3 PRO 106 HD2 PRO 106 -6.672 7.102 3.425 608 H THR 107 H THR 107 -5.260 1.785 2.756 609 HA THR 107 HA THR 107 -2.802 1.719 4.361 610 HB THR 107 HB THR 107 -4.195 -0.865 4.180 611 HG1 THR 107 HG1 THR 107 -6.035 0.181 4.706 612 HG21 THR 107 HG21 THR 107 -2.086 -0.346 5.465 613 HG22 THR 107 HG22 THR 107 -3.357 -1.142 6.393 614 HG23 THR 107 HG23 THR 107 -3.084 0.590 6.577 615 H LYS 108 H LYS 108 -1.321 -0.047 3.692 616 HA LYS 108 HA LYS 108 -1.088 -0.088 0.831 617 HB3 LYS 108 HB2 LYS 108 0.613 -1.730 2.680 618 HG3 LYS 108 HG2 LYS 108 2.380 -0.625 1.117 619 HD3 LYS 108 HD2 LYS 108 0.568 -2.701 -0.094 620 HE3 LYS 108 HE2 LYS 108 2.662 -3.640 -0.913 621 HZ1 LYS 108 HZ1 LYS 108 3.291 -1.094 -1.884 622 HZ2 LYS 108 HZ2 LYS 108 1.609 -1.179 -1.726 623 HZ3 LYS 108 HZ3 LYS 108 2.430 -2.326 -2.660 624 H LYS 109 H LYS 109 -1.006 -2.764 3.190 625 HA LYS 109 HA LYS 109 -3.036 -4.270 1.941 626 HB3 LYS 109 HB2 LYS 109 -0.741 -5.925 1.459 627 HG3 LYS 109 HG2 LYS 109 -2.883 -4.762 -0.293 628 HD3 LYS 109 HD2 LYS 109 -0.468 -6.372 -1.020 629 HE3 LYS 109 HE2 LYS 109 -2.585 -6.353 -3.025 630 HZ1 LYS 109 HZ1 LYS 109 -1.434 -8.107 -3.703 631 HZ2 LYS 109 HZ2 LYS 109 -1.589 -8.893 -2.214 632 HZ3 LYS 109 HZ3 LYS 109 -0.323 -7.799 -2.464 Start of MODEL 5 1 H1 MET 1 H MET 1 54.970 -12.430 74.146 2 HA MET 1 HA MET 1 53.532 -10.722 74.880 3 HB3 MET 1 HB2 MET 1 52.219 -11.423 77.112 4 HG3 MET 1 HG2 MET 1 51.521 -11.727 74.254 5 HE1 MET 1 HE1 MET 1 48.006 -11.871 74.458 6 HE2 MET 1 HE2 MET 1 47.691 -12.247 76.151 7 HE3 MET 1 HE3 MET 1 48.702 -10.866 75.729 8 H SER 2 H SER 2 55.725 -10.002 75.340 9 HA SER 2 HA SER 2 56.128 -9.681 78.225 10 HB3 SER 2 HB2 SER 2 57.635 -11.478 77.684 11 HG SER 2 HG SER 2 58.719 -11.567 75.869 12 H ASP 3 H ASP 3 57.862 -8.811 75.234 13 HA ASP 3 HA ASP 3 57.185 -6.026 75.537 14 HB3 ASP 3 HB2 ASP 3 59.729 -5.448 75.501 15 H ALA 4 H ALA 4 56.392 -6.078 73.467 16 HA ALA 4 HA ALA 4 58.167 -5.589 71.352 17 HB1 ALA 4 HB1 ALA 4 57.039 -8.378 71.444 18 HB2 ALA 4 HB2 ALA 4 57.650 -7.627 69.970 19 HB3 ALA 4 HB3 ALA 4 58.731 -7.892 71.337 20 H GLY 5 H GLY 5 56.927 -5.779 69.146 21 HA2 GLY 5 HA2 GLY 5 54.212 -4.739 69.651 22 HA3 GLY 5 HA3 GLY 5 55.226 -4.285 68.288 23 H ARG 6 H ARG 6 52.662 -6.170 69.259 24 HA ARG 6 HA ARG 6 52.873 -7.803 66.820 25 HB3 ARG 6 HB2 ARG 6 51.475 -9.510 68.201 26 HG3 ARG 6 HG2 ARG 6 54.256 -9.365 69.242 27 HD3 ARG 6 HD2 ARG 6 52.845 -11.313 69.709 28 HE ARG 6 HE ARG 6 52.263 -11.252 66.901 29 HH11 ARG 6 HH11 ARG 6 52.510 -13.290 69.713 30 HH12 ARG 6 HH12 ARG 6 51.421 -14.489 69.101 31 HH21 ARG 6 HH21 ARG 6 50.828 -12.825 66.083 32 HH22 ARG 6 HH22 ARG 6 50.465 -14.225 67.035 33 H LYS 7 H LYS 7 51.361 -5.295 68.028 34 HA LYS 7 HA LYS 7 49.383 -4.248 67.625 35 HB3 LYS 7 HB2 LYS 7 47.967 -5.781 65.820 36 HG3 LYS 7 HG2 LYS 7 49.427 -3.375 65.769 37 HD3 LYS 7 HD2 LYS 7 50.208 -3.456 63.389 38 HE3 LYS 7 HE2 LYS 7 51.513 -4.538 65.731 39 HZ1 LYS 7 HZ1 LYS 7 52.922 -5.286 63.278 40 HZ2 LYS 7 HZ2 LYS 7 51.744 -6.347 63.866 41 HZ3 LYS 7 HZ3 LYS 7 53.062 -5.923 64.838 42 H GLY 8 H GLY 8 46.976 -4.500 67.815 43 HA2 GLY 8 HA2 GLY 8 45.090 -5.421 68.784 44 HA3 GLY 8 HA3 GLY 8 45.950 -6.947 68.913 45 H PHE 9 H PHE 9 47.698 -6.980 70.634 46 HA PHE 9 HA PHE 9 46.507 -6.041 73.101 47 HB3 PHE 9 HB2 PHE 9 49.066 -7.329 73.453 48 HD1 PHE 9 HD2 PHE 9 45.454 -8.259 73.262 49 HD2 PHE 9 HD1 PHE 9 48.990 -8.050 75.620 50 HE1 PHE 9 HE2 PHE 9 44.225 -9.192 75.179 51 HE2 PHE 9 HE1 PHE 9 47.770 -8.984 77.540 52 HZ PHE 9 HZ PHE 9 45.384 -9.556 77.322 53 H GLY 10 H GLY 10 49.107 -5.177 71.000 54 HA2 GLY 10 HA2 GLY 10 50.834 -3.853 72.744 55 HA3 GLY 10 HA3 GLY 10 50.606 -3.439 71.051 56 H GLU 11 H GLU 11 48.204 -2.403 70.815 57 HA GLU 11 HA GLU 11 48.399 0.178 71.788 58 HB3 GLU 11 HB2 GLU 11 45.633 -0.428 71.433 59 HG3 GLU 11 HG2 GLU 11 46.966 0.520 69.048 60 H LYS 12 H LYS 12 46.321 -2.444 73.008 61 HA LYS 12 HA LYS 12 45.202 -1.027 75.148 62 HB3 LYS 12 HB2 LYS 12 44.521 -3.160 76.022 63 HG3 LYS 12 HG2 LYS 12 43.536 -4.276 74.141 64 HD3 LYS 12 HD2 LYS 12 43.325 -1.508 74.614 65 HE3 LYS 12 HE2 LYS 12 42.557 -1.782 71.806 66 HZ1 LYS 12 HZ1 LYS 12 43.755 0.449 71.815 67 HZ2 LYS 12 HZ2 LYS 12 43.851 0.268 73.494 68 HZ3 LYS 12 HZ3 LYS 12 42.341 0.324 72.734 69 H ALA 13 H ALA 13 48.099 -3.071 75.001 70 HA ALA 13 HA ALA 13 48.805 -3.094 77.671 71 HB1 ALA 13 HB1 ALA 13 51.238 -2.960 76.476 72 HB2 ALA 13 HB2 ALA 13 50.258 -4.421 76.591 73 HB3 ALA 13 HB3 ALA 13 50.216 -3.445 75.123 74 H SER 14 H SER 14 49.816 -0.730 75.199 75 HA SER 14 HA SER 14 51.274 0.924 76.937 76 HB3 SER 14 HB2 SER 14 50.346 2.630 74.967 77 HG SER 14 HG SER 14 52.421 0.907 74.289 78 H GLU 15 H GLU 15 47.872 0.661 76.292 79 HA GLU 15 HA GLU 15 47.177 3.199 77.450 80 HB3 GLU 15 HB2 GLU 15 44.829 2.156 77.391 81 HG3 GLU 15 HG2 GLU 15 45.527 1.893 74.634 82 H ALA 16 H ALA 16 47.402 -0.127 78.536 83 HA ALA 16 HA ALA 16 46.033 0.163 80.983 84 HB1 ALA 16 HB1 ALA 16 48.258 -1.765 80.334 85 HB2 ALA 16 HB2 ALA 16 47.064 -1.924 81.623 86 HB3 ALA 16 HB3 ALA 16 46.558 -2.010 79.936 87 H LEU 17 H LEU 17 49.538 0.141 80.306 88 HA LEU 17 HA LEU 17 50.399 0.734 82.888 89 HB3 LEU 17 HB2 LEU 17 51.874 -0.040 81.097 90 HG LEU 17 HG LEU 17 50.916 1.754 79.386 91 HD11 LEU 17 HD11 LEU 17 51.916 3.763 79.330 92 HD12 LEU 17 HD12 LEU 17 53.478 3.118 79.833 93 HD13 LEU 17 HD13 LEU 17 52.232 3.449 81.036 94 HD21 LEU 17 HD21 LEU 17 52.385 -0.112 78.835 95 HD22 LEU 17 HD22 LEU 17 53.775 0.791 79.437 96 HD23 LEU 17 HD23 LEU 17 52.900 1.361 78.014 97 H LYS 18 H LYS 18 49.464 2.879 80.242 98 HA LYS 18 HA LYS 18 50.170 5.290 81.584 99 HB3 LYS 18 HB2 LYS 18 48.184 5.936 79.739 100 HG3 LYS 18 HG2 LYS 18 50.802 5.666 78.507 101 HD3 LYS 18 HD2 LYS 18 50.417 8.289 78.753 102 HE3 LYS 18 HE2 LYS 18 48.810 8.062 76.739 103 HZ1 LYS 18 HZ1 LYS 18 50.763 8.309 75.749 104 HZ2 LYS 18 HZ2 LYS 18 50.932 6.627 75.723 105 HZ3 LYS 18 HZ3 LYS 18 51.585 7.523 77.002 106 HA PRO 19 HA PRO 19 46.721 6.054 84.185 107 HB3 PRO 19 HB2 PRO 19 47.703 8.054 84.744 108 HG3 PRO 19 HG2 PRO 19 48.818 9.329 83.151 109 HD3 PRO 19 HD2 PRO 19 49.798 7.278 82.773 110 H ASP 20 H ASP 20 44.590 7.605 84.106 111 HA ASP 20 HA ASP 20 43.294 7.354 81.500 112 HB3 ASP 20 HB2 ASP 20 42.433 5.371 82.246 113 H SER 21 H SER 21 40.866 8.178 81.853 114 HA SER 21 HA SER 21 40.992 10.898 82.298 115 HB3 SER 21 HB2 SER 21 38.347 9.902 82.931 116 HG SER 21 HG SER 21 38.875 10.836 80.399 117 H GLN 22 H GLN 22 41.240 12.079 84.066 118 HA GLN 22 HA GLN 22 40.402 10.935 86.649 119 HB3 GLN 22 HB2 GLN 22 42.440 13.098 86.567 120 HG3 GLN 22 HG2 GLN 22 41.606 10.997 88.384 121 HE21 GLN 22 HE21 GLN 22 43.014 10.041 89.963 122 HE22 GLN 22 HE22 GLN 22 44.598 9.525 89.505 123 H LYS 23 H LYS 23 39.879 13.388 84.405 124 HA LYS 23 HA LYS 23 38.778 15.390 84.440 125 HB3 LYS 23 HB2 LYS 23 36.645 15.322 85.469 126 HG3 LYS 23 HG2 LYS 23 37.402 13.240 83.937 127 HD3 LYS 23 HD2 LYS 23 36.852 12.194 86.654 128 HE3 LYS 23 HE2 LYS 23 36.014 10.061 85.641 129 HZ1 LYS 23 HZ1 LYS 23 34.578 12.376 86.235 130 HZ2 LYS 23 HZ2 LYS 23 34.046 10.773 86.314 131 HZ3 LYS 23 HZ3 LYS 23 33.836 11.664 84.892 132 H SER 24 H SER 24 40.937 16.122 85.473 133 HA SER 24 HA SER 24 40.361 18.084 87.395 134 HB3 SER 24 HB2 SER 24 40.488 15.763 88.703 135 HG SER 24 HG SER 24 42.600 15.260 88.045 136 H TYR 25 H TYR 25 42.777 18.557 88.556 137 HA TYR 25 HA TYR 25 44.244 19.837 86.622 138 HB3 TYR 25 HB2 TYR 25 46.046 18.954 88.672 139 HD1 TYR 25 HD1 TYR 25 43.524 21.609 87.916 140 HD2 TYR 25 HD2 TYR 25 47.523 20.690 89.039 141 HE1 TYR 25 HE1 TYR 25 44.092 24.000 87.820 142 HE2 TYR 25 HE2 TYR 25 48.103 23.078 88.948 143 HH TYR 25 HH TYR 25 47.398 25.116 88.176 144 H ALA 26 H ALA 26 44.482 16.504 87.681 145 HA ALA 26 HA ALA 26 46.924 15.748 86.650 146 HB1 ALA 26 HB1 ALA 26 46.260 13.716 87.264 147 HB2 ALA 26 HB2 ALA 26 44.717 14.445 87.716 148 HB3 ALA 26 HB3 ALA 26 44.921 13.733 86.116 149 H GLU 27 H GLU 27 43.806 15.939 84.959 150 HA GLU 27 HA GLU 27 44.932 15.114 82.449 151 HB3 GLU 27 HB2 GLU 27 42.485 16.396 81.958 152 HG3 GLU 27 HG2 GLU 27 41.999 13.663 82.554 153 H GLN 28 H GLN 28 44.077 18.166 83.976 154 HA GLN 28 HA GLN 28 44.252 19.870 81.792 155 HB3 GLN 28 HB2 GLN 28 44.719 21.649 83.403 156 HG3 GLN 28 HG2 GLN 28 42.893 19.753 84.830 157 HE21 GLN 28 HE21 GLN 28 41.088 20.883 85.759 158 HE22 GLN 28 HE22 GLN 28 41.264 22.532 86.244 159 H GLY 29 H GLY 29 46.834 18.941 84.069 160 HA2 GLY 29 HA2 GLY 29 48.899 20.377 82.831 161 HA3 GLY 29 HA3 GLY 29 49.117 18.964 83.855 162 H LYS 30 H LYS 30 48.044 16.935 82.476 163 HA LYS 30 HA LYS 30 49.984 16.193 80.666 164 HB3 LYS 30 HB2 LYS 30 48.414 14.434 79.925 165 HG3 LYS 30 HG2 LYS 30 48.590 15.014 82.855 166 HD3 LYS 30 HD2 LYS 30 46.502 13.567 81.858 167 HE3 LYS 30 HE2 LYS 30 47.122 11.192 82.453 168 HZ1 LYS 30 HZ1 LYS 30 48.495 12.318 80.072 169 HZ2 LYS 30 HZ2 LYS 30 46.853 11.916 80.143 170 HZ3 LYS 30 HZ3 LYS 30 48.026 10.706 80.290 171 H GLU 31 H GLU 31 46.687 17.299 79.860 172 HA GLU 31 HA GLU 31 47.072 17.395 77.085 173 HB3 GLU 31 HB2 GLU 31 45.098 18.932 77.090 174 HG3 GLU 31 HG2 GLU 31 43.816 17.216 78.834 175 H TYR 32 H TYR 32 47.955 19.607 79.609 176 HA TYR 32 HA TYR 32 48.271 21.938 78.049 177 HB3 TYR 32 HB2 TYR 32 49.801 21.188 80.546 178 HD1 TYR 32 HD2 TYR 32 51.729 22.558 79.970 179 HD2 TYR 32 HD1 TYR 32 47.806 24.206 79.993 180 HE1 TYR 32 HE2 TYR 32 52.686 24.822 79.927 181 HE2 TYR 32 HE1 TYR 32 48.754 26.476 79.950 182 HH TYR 32 HH TYR 32 52.265 27.002 80.009 183 H ILE 33 H ILE 33 50.531 19.367 78.974 184 HA ILE 33 HA ILE 33 52.766 20.532 77.639 185 HB ILE 33 HB ILE 33 52.529 17.604 78.259 186 HG13 ILE 33 HG12 ILE 33 51.821 18.437 80.314 187 HG21 ILE 33 HG21 ILE 33 54.506 18.558 77.038 188 HG22 ILE 33 HG22 ILE 33 54.883 19.460 78.504 189 HG23 ILE 33 HG23 ILE 33 54.888 17.698 78.529 190 HD11 ILE 33 HD11 ILE 33 54.679 18.926 80.927 191 HD12 ILE 33 HD12 ILE 33 53.464 18.011 81.823 192 HD13 ILE 33 HD13 ILE 33 54.204 17.320 80.379 193 H THR 34 H THR 34 50.338 18.127 76.781 194 HA THR 34 HA THR 34 51.524 17.225 74.391 195 HB THR 34 HB THR 34 49.095 16.751 75.787 196 HG1 THR 34 HG1 THR 34 50.657 15.232 74.873 197 HG21 THR 34 HG21 THR 34 47.506 16.578 73.929 198 HG22 THR 34 HG22 THR 34 48.684 17.320 72.848 199 HG23 THR 34 HG23 THR 34 48.005 18.249 74.185 200 H ASP 35 H ASP 35 49.493 19.985 75.130 201 HA ASP 35 HA ASP 35 48.941 20.672 72.413 202 HB3 ASP 35 HB2 ASP 35 48.857 22.877 74.338 203 H LYS 36 H LYS 36 51.488 21.392 74.680 204 HA LYS 36 HA LYS 36 52.589 23.593 73.233 205 HB3 LYS 36 HB2 LYS 36 54.551 23.279 74.713 206 HG3 LYS 36 HG2 LYS 36 53.020 23.080 76.939 207 HD3 LYS 36 HD2 LYS 36 52.639 25.637 75.578 208 HE3 LYS 36 HE2 LYS 36 53.786 24.579 78.106 209 HZ1 LYS 36 HZ1 LYS 36 55.111 26.577 76.731 210 HZ2 LYS 36 HZ2 LYS 36 55.307 26.151 78.355 211 HZ3 LYS 36 HZ3 LYS 36 54.216 27.370 77.927 212 H ALA 37 H ALA 37 53.340 20.135 73.439 213 HA ALA 37 HA ALA 37 55.589 20.221 71.718 214 HB1 ALA 37 HB1 ALA 37 53.777 17.904 72.391 215 HB2 ALA 37 HB2 ALA 37 55.361 17.786 71.620 216 HB3 ALA 37 HB3 ALA 37 55.227 18.384 73.274 217 H ASP 38 H ASP 38 52.172 20.127 71.164 218 HA ASP 38 HA ASP 38 52.371 19.222 68.435 219 HB3 ASP 38 HB2 ASP 38 49.904 20.611 69.189 220 H LYS 39 H LYS 39 51.885 22.301 70.100 221 HA LYS 39 HA LYS 39 51.494 23.853 67.760 222 HB3 LYS 39 HB2 LYS 39 52.494 25.631 69.581 223 HG3 LYS 39 HG2 LYS 39 49.849 25.146 70.425 224 HD3 LYS 39 HD2 LYS 39 49.432 27.119 68.833 225 HE3 LYS 39 HE2 LYS 39 51.588 27.333 70.933 226 HZ1 LYS 39 HZ1 LYS 39 51.309 29.316 69.483 227 HZ2 LYS 39 HZ2 LYS 39 50.968 29.605 71.114 228 HZ3 LYS 39 HZ3 LYS 39 49.704 29.428 70.005 229 H VAL 40 H VAL 40 54.348 23.259 69.795 230 HA VAL 40 HA VAL 40 56.137 24.876 68.359 231 HB VAL 40 HB VAL 40 56.685 24.050 70.579 232 HG11 VAL 40 HG11 VAL 40 56.717 21.885 71.204 233 HG12 VAL 40 HG12 VAL 40 55.675 21.672 69.796 234 HG13 VAL 40 HG13 VAL 40 57.403 21.342 69.672 235 HG21 VAL 40 HG21 VAL 40 58.583 23.070 68.450 236 HG22 VAL 40 HG22 VAL 40 58.537 24.684 69.158 237 HG23 VAL 40 HG23 VAL 40 59.000 23.298 70.148 238 H ALA 41 H ALA 41 55.149 21.523 67.931 239 HA ALA 41 HA ALA 41 57.083 20.970 65.886 240 HB1 ALA 41 HB1 ALA 41 55.395 18.981 65.525 241 HB2 ALA 41 HB2 ALA 41 56.472 19.026 66.922 242 HB3 ALA 41 HB3 ALA 41 54.786 19.515 67.092 243 H GLY 42 H GLY 42 53.635 21.790 65.948 244 HA2 GLY 42 HA2 GLY 42 53.258 21.552 63.136 245 HA3 GLY 42 HA3 GLY 42 52.180 22.365 64.261 246 H LYS 43 H LYS 43 54.218 24.193 65.240 247 HA LYS 43 HA LYS 43 53.850 26.287 63.379 248 HB3 LYS 43 HB2 LYS 43 55.834 27.242 64.945 249 HG3 LYS 43 HG2 LYS 43 54.148 28.002 66.547 250 HD3 LYS 43 HD2 LYS 43 52.441 28.407 64.319 251 HE3 LYS 43 HE2 LYS 43 54.597 29.994 65.679 252 HZ1 LYS 43 HZ1 LYS 43 53.630 31.917 64.421 253 HZ2 LYS 43 HZ2 LYS 43 52.928 30.796 63.367 254 HZ3 LYS 43 HZ3 LYS 43 54.611 30.881 63.512 255 H VAL 44 H VAL 44 56.295 23.880 63.745 256 HA VAL 44 HA VAL 44 58.085 25.305 61.903 257 HB VAL 44 HB VAL 44 59.169 24.481 63.913 258 HG11 VAL 44 HG11 VAL 44 58.253 21.739 63.050 259 HG12 VAL 44 HG12 VAL 44 59.296 22.101 64.425 260 HG13 VAL 44 HG13 VAL 44 57.621 22.652 64.418 261 HG21 VAL 44 HG21 VAL 44 59.963 23.924 61.279 262 HG22 VAL 44 HG22 VAL 44 60.992 24.082 62.703 263 HG23 VAL 44 HG23 VAL 44 60.379 22.498 62.228 264 H GLN 45 H GLN 45 58.398 24.639 59.863 265 HA GLN 45 HA GLN 45 57.075 22.142 59.032 266 HB3 GLN 45 HB2 GLN 45 57.358 23.501 56.708 267 HG3 GLN 45 HG2 GLN 45 55.052 24.188 58.486 268 HE21 GLN 45 HE21 GLN 45 54.845 25.947 56.990 269 HE22 GLN 45 HE22 GLN 45 54.181 25.671 55.420 270 HA PRO 46 HA PRO 46 61.637 21.581 58.375 271 HB3 PRO 46 HB2 PRO 46 61.866 20.487 60.384 272 HG3 PRO 46 HG2 PRO 46 60.045 19.466 61.407 273 HD3 PRO 46 HD2 PRO 46 59.142 21.541 60.973 274 H GLU 47 H GLU 47 62.489 19.117 57.614 275 HA GLU 47 HA GLU 47 60.859 17.663 55.875 276 HB3 GLU 47 HB2 GLU 47 62.381 18.808 53.843 277 HG3 GLU 47 HG2 GLU 47 59.557 18.675 54.561 278 H ASP 48 H ASP 48 64.062 18.901 56.587 279 HA ASP 48 HA ASP 48 66.135 17.954 56.534 280 HB3 ASP 48 HB2 ASP 48 66.290 15.682 57.362 281 H ASN 49 H ASN 49 67.185 15.622 55.626 282 HA ASN 49 HA ASN 49 68.029 14.708 53.718 283 HB3 ASN 49 HB2 ASN 49 65.397 14.729 52.353 284 HD21 ASN 49 HD21 ASN 49 64.845 12.226 52.159 285 HD22 ASN 49 HD22 ASN 49 66.170 11.277 51.584 286 H LYS 50 H LYS 50 67.487 14.894 51.066 287 HA LYS 50 HA LYS 50 67.231 17.699 50.344 288 HB3 LYS 50 HB2 LYS 50 69.589 16.570 49.068 289 HG3 LYS 50 HG2 LYS 50 69.089 19.054 50.688 290 HD3 LYS 50 HD2 LYS 50 71.456 18.929 48.961 291 HE3 LYS 50 HE2 LYS 50 70.591 20.139 51.519 292 HZ1 LYS 50 HZ1 LYS 50 72.708 20.475 52.363 293 HZ2 LYS 50 HZ2 LYS 50 73.480 20.001 50.935 294 HZ3 LYS 50 HZ3 LYS 50 72.743 18.842 51.924 295 H GLY 51 H GLY 51 68.113 17.614 47.760 296 HA2 GLY 51 HA2 GLY 51 67.840 16.495 45.689 297 HA3 GLY 51 HA3 GLY 51 66.814 15.315 46.490 298 H VAL 52 H VAL 52 66.078 18.496 47.374 299 HA VAL 52 HA VAL 52 63.481 18.393 46.296 300 HB VAL 52 HB VAL 52 64.982 20.850 47.208 301 HG11 VAL 52 HG11 VAL 52 62.761 21.767 47.647 302 HG12 VAL 52 HG12 VAL 52 62.952 21.349 45.943 303 HG13 VAL 52 HG13 VAL 52 62.023 20.297 47.013 304 HG21 VAL 52 HG21 VAL 52 64.099 20.454 49.399 305 HG22 VAL 52 HG22 VAL 52 63.176 19.063 48.831 306 HG23 VAL 52 HG23 VAL 52 64.938 18.993 48.875 307 H PHE 53 H PHE 53 66.489 19.489 44.992 308 HA PHE 53 HA PHE 53 65.425 21.209 42.986 309 HB3 PHE 53 HB2 PHE 53 67.923 20.124 42.146 310 HD1 PHE 53 HD2 PHE 53 66.486 22.774 44.339 311 HD2 PHE 53 HD1 PHE 53 69.051 21.817 41.081 312 HE1 PHE 53 HE2 PHE 53 66.883 25.171 43.953 313 HE2 PHE 53 HE1 PHE 53 69.453 24.213 40.689 314 HZ PHE 53 HZ PHE 53 68.368 25.893 42.126 315 H GLN 54 H GLN 54 66.521 17.833 42.992 316 HA GLN 54 HA GLN 54 66.167 17.297 40.278 317 HB3 GLN 54 HB2 GLN 54 65.510 14.925 41.578 318 HG3 GLN 54 HG2 GLN 54 68.336 15.160 41.555 319 HE21 GLN 54 HE21 GLN 54 67.069 14.772 38.448 320 HE22 GLN 54 HE22 GLN 54 66.945 13.047 38.447 321 H GLY 55 H GLY 55 63.864 17.288 42.940 322 HA2 GLY 55 HA2 GLY 55 61.720 15.971 41.796 323 HA3 GLY 55 HA3 GLY 55 61.567 17.300 42.935 324 H VAL 56 H VAL 56 62.923 19.179 41.108 325 HA VAL 56 HA VAL 56 60.704 20.312 39.877 326 HB VAL 56 HB VAL 56 63.607 20.667 39.117 327 HG11 VAL 56 HG11 VAL 56 61.126 22.213 38.419 328 HG12 VAL 56 HG12 VAL 56 62.734 22.937 38.354 329 HG13 VAL 56 HG13 VAL 56 62.351 21.548 37.338 330 HG21 VAL 56 HG21 VAL 56 63.824 21.686 41.079 331 HG22 VAL 56 HG22 VAL 56 62.635 22.877 40.553 332 HG23 VAL 56 HG23 VAL 56 62.115 21.445 41.440 333 H HIS 57 H HIS 57 62.817 17.800 38.777 334 HA HIS 57 HA HIS 57 62.046 18.018 36.005 335 HB3 HIS 57 HB2 HIS 57 63.388 15.625 37.242 336 HD1 HIS 57 HD1 HIS 57 61.739 16.328 34.405 337 HD2 HIS 57 HD2 HIS 57 65.773 15.563 35.038 338 HE1 HIS 57 HE1 HIS 57 62.631 15.545 32.187 339 H ASP 58 H ASP 58 61.214 16.015 38.781 340 HA ASP 58 HA ASP 58 59.602 14.161 37.362 341 HB3 ASP 58 HB2 ASP 58 59.029 14.790 40.222 342 H SER 59 H SER 59 59.064 17.358 38.564 343 HA SER 59 HA SER 59 56.312 17.406 38.901 344 HB3 SER 59 HB2 SER 59 56.976 19.856 37.690 345 HG SER 59 HG SER 59 57.180 20.449 40.006 346 H ALA 60 H ALA 60 58.192 17.236 35.992 347 HA ALA 60 HA ALA 60 56.457 18.203 34.076 348 HB1 ALA 60 HB1 ALA 60 58.102 15.714 33.693 349 HB2 ALA 60 HB2 ALA 60 57.645 16.917 32.487 350 HB3 ALA 60 HB3 ALA 60 58.806 17.330 33.748 351 H GLU 61 H GLU 61 56.309 15.207 35.871 352 HA GLU 61 HA GLU 61 54.583 13.704 34.323 353 HB3 GLU 61 HB2 GLU 61 55.696 12.981 36.450 354 HG3 GLU 61 HG2 GLU 61 54.576 15.063 37.680 355 H LYS 62 H LYS 62 53.911 16.481 36.330 356 HA LYS 62 HA LYS 62 51.091 16.194 36.420 357 HB3 LYS 62 HB2 LYS 62 52.253 18.920 36.499 358 HG3 LYS 62 HG2 LYS 62 51.085 18.718 38.830 359 HD3 LYS 62 HD2 LYS 62 49.562 18.815 36.225 360 HE3 LYS 62 HE2 LYS 62 48.282 18.491 38.465 361 HZ1 LYS 62 HZ1 LYS 62 47.792 20.771 39.410 362 HZ2 LYS 62 HZ2 LYS 62 49.222 21.288 38.670 363 HZ3 LYS 62 HZ3 LYS 62 49.271 20.076 39.849 364 H GLY 63 H GLY 63 49.520 16.838 35.044 365 HA2 GLY 63 HA2 GLY 63 49.695 18.835 33.107 366 HA3 GLY 63 HA3 GLY 63 50.165 17.330 32.332 367 H LYS 64 H LYS 64 47.563 18.968 34.053 368 HA LYS 64 HA LYS 64 45.644 16.899 33.477 369 HB3 LYS 64 HB2 LYS 64 44.005 18.531 34.422 370 HG3 LYS 64 HG2 LYS 64 45.541 18.890 36.640 371 HD3 LYS 64 HD2 LYS 64 43.369 17.505 36.101 372 HE3 LYS 64 HE2 LYS 64 45.205 15.739 35.119 373 HZ1 LYS 64 HZ1 LYS 64 44.914 15.255 37.965 374 HZ2 LYS 64 HZ2 LYS 64 46.140 14.773 36.903 375 HZ3 LYS 64 HZ3 LYS 64 44.691 13.900 36.974 376 H ASP 65 H ASP 65 43.562 17.483 32.357 377 HA ASP 65 HA ASP 65 42.444 18.052 30.461 378 HB3 ASP 65 HB2 ASP 65 43.734 20.395 29.562 379 H ASN 66 H ASN 66 42.750 18.530 28.065 380 HA ASN 66 HA ASN 66 43.622 17.861 26.072 381 HB3 ASN 66 HB2 ASN 66 46.423 18.091 27.038 382 HD21 ASN 66 HD21 ASN 66 44.823 20.577 25.276 383 HD22 ASN 66 HD22 ASN 66 45.438 20.166 23.715 384 H ALA 67 H ALA 67 43.177 15.869 28.178 385 HA ALA 67 HA ALA 67 44.405 13.644 26.881 386 HB1 ALA 67 HB1 ALA 67 45.492 14.582 29.496 387 HB2 ALA 67 HB2 ALA 67 45.427 12.853 29.155 388 HB3 ALA 67 HB3 ALA 67 46.337 13.927 28.095 389 H GLU 68 H GLU 68 41.765 14.680 27.703 390 HA GLU 68 HA GLU 68 40.842 12.827 29.732 391 HB3 GLU 68 HB2 GLU 68 38.654 14.065 28.416 392 HG3 GLU 68 HG2 GLU 68 38.821 13.588 30.834 393 H GLY 69 H GLY 69 39.654 11.006 29.410 394 HA2 GLY 69 HA2 GLY 69 39.821 9.741 26.859 395 HA3 GLY 69 HA3 GLY 69 38.998 9.110 28.280 396 H GLN 70 H GLN 70 37.011 8.565 27.655 397 HA GLN 70 HA GLN 70 35.087 10.497 26.993 398 HB3 GLN 70 HB2 GLN 70 36.135 8.859 24.686 399 HG3 GLN 70 HG2 GLN 70 33.610 10.493 24.807 400 HE21 GLN 70 HE21 GLN 70 35.107 11.706 23.168 401 HE22 GLN 70 HE22 GLN 70 34.900 11.222 21.522 402 H GLY 71 H GLY 71 33.085 9.716 27.398 403 HA2 GLY 71 HA2 GLY 71 32.883 6.995 28.338 404 HA3 GLY 71 HA3 GLY 71 31.616 8.213 28.381 405 H GLU 72 H GLU 72 33.478 6.555 25.827 406 HA GLU 72 HA GLU 72 32.821 5.455 23.947 407 HB3 GLU 72 HB2 GLU 72 30.018 5.083 24.753 408 HG3 GLU 72 HG2 GLU 72 32.213 3.478 23.639 409 H SER 73 H SER 73 31.107 5.495 22.145 410 HA SER 73 HA SER 73 30.682 8.247 21.452 411 HB3 SER 73 HB2 SER 73 31.177 7.129 19.524 412 HG SER 73 HG SER 73 29.687 4.861 19.745 413 H LEU 74 H LEU 74 29.124 9.207 22.661 414 HA LEU 74 HA LEU 74 26.773 8.087 23.612 415 HB3 LEU 74 HB2 LEU 74 27.353 10.932 22.806 416 HG LEU 74 HG LEU 74 24.918 10.666 23.063 417 HD11 LEU 74 HD11 LEU 74 24.730 8.794 24.498 418 HD12 LEU 74 HD12 LEU 74 24.085 10.174 25.387 419 HD13 LEU 74 HD13 LEU 74 25.699 9.568 25.752 420 HD21 LEU 74 HD21 LEU 74 26.542 12.261 24.988 421 HD22 LEU 74 HD22 LEU 74 24.785 12.257 25.145 422 HD23 LEU 74 HD23 LEU 74 25.536 12.798 23.643 423 H ALA 75 H ALA 75 27.558 9.229 20.430 424 HA ALA 75 HA ALA 75 25.077 9.744 19.332 425 HB1 ALA 75 HB1 ALA 75 26.502 10.143 17.667 426 HB2 ALA 75 HB2 ALA 75 27.709 9.041 18.332 427 HB3 ALA 75 HB3 ALA 75 26.415 8.417 17.309 428 H ASP 76 H ASP 76 26.514 6.681 20.186 429 HA ASP 76 HA ASP 76 24.637 5.075 18.732 430 HB3 ASP 76 HB2 ASP 76 26.075 3.939 21.072 431 H GLN 77 H GLN 77 24.882 6.338 21.998 432 HA GLN 77 HA GLN 77 22.697 4.796 23.025 433 HB3 GLN 77 HB2 GLN 77 22.965 6.976 24.703 434 HG3 GLN 77 HG2 GLN 77 24.824 5.371 25.763 435 HE21 GLN 77 HE21 GLN 77 21.820 3.794 24.921 436 HE22 GLN 77 HE22 GLN 77 21.036 4.047 26.438 437 H ALA 78 H ALA 78 23.048 7.846 21.403 438 HA ALA 78 HA ALA 78 20.518 8.929 22.150 439 HB1 ALA 78 HB1 ALA 78 21.483 10.736 21.300 440 HB2 ALA 78 HB2 ALA 78 22.780 9.758 20.610 441 HB3 ALA 78 HB3 ALA 78 21.306 10.044 19.687 442 H ARG 79 H ARG 79 21.713 7.305 19.215 443 HA ARG 79 HA ARG 79 19.363 7.392 17.730 444 HB3 ARG 79 HB2 ARG 79 20.413 5.045 16.905 445 HG3 ARG 79 HG2 ARG 79 22.112 6.480 15.577 446 HD3 ARG 79 HD2 ARG 79 20.166 7.522 14.279 447 HE ARG 79 HE ARG 79 20.851 4.801 14.488 448 HH11 ARG 79 HH11 ARG 79 18.308 6.862 13.301 449 HH12 ARG 79 HH12 ARG 79 17.808 5.753 12.067 450 HH21 ARG 79 HH21 ARG 79 20.203 3.334 12.867 451 HH22 ARG 79 HH22 ARG 79 18.887 3.747 11.820 452 H ASP 80 H ASP 80 20.236 5.402 20.431 453 HA ASP 80 HA ASP 80 18.228 3.402 20.003 454 HB3 ASP 80 HB2 ASP 80 19.207 3.789 22.754 455 H TYR 81 H TYR 81 18.525 6.269 22.065 456 HA TYR 81 HA TYR 81 15.992 5.923 23.324 457 HB3 TYR 81 HB2 TYR 81 17.689 8.415 23.067 458 HD1 TYR 81 HD1 TYR 81 14.962 6.706 24.938 459 HD2 TYR 81 HD2 TYR 81 17.005 10.358 24.167 460 HE1 TYR 81 HE1 TYR 81 13.271 7.920 26.246 461 HE2 TYR 81 HE2 TYR 81 15.318 11.584 25.473 462 HH TYR 81 HH TYR 81 12.889 9.932 27.347 463 H MET 82 H MET 82 17.152 7.854 20.595 464 HA MET 82 HA MET 82 14.778 9.283 20.125 465 HB3 MET 82 HB2 MET 82 15.828 9.167 17.654 466 HG3 MET 82 HG2 MET 82 17.524 10.934 18.443 467 HE1 MET 82 HE1 MET 82 16.118 13.547 19.798 468 HE2 MET 82 HE2 MET 82 14.355 13.505 19.772 469 HE3 MET 82 HE3 MET 82 15.251 12.339 20.747 470 H GLY 83 H GLY 83 16.027 6.367 18.485 471 HA2 GLY 83 HA2 GLY 83 13.832 5.900 16.839 472 HA3 GLY 83 HA3 GLY 83 14.931 4.657 17.415 473 H ALA 84 H ALA 84 14.312 5.065 20.218 474 HA ALA 84 HA ALA 84 12.253 3.216 20.541 475 HB1 ALA 84 HB1 ALA 84 13.981 3.718 22.234 476 HB2 ALA 84 HB2 ALA 84 13.170 5.249 22.570 477 HB3 ALA 84 HB3 ALA 84 12.347 3.724 22.896 478 H ALA 85 H ALA 85 12.174 6.753 20.940 479 HA ALA 85 HA ALA 85 9.498 6.997 21.681 480 HB1 ALA 85 HB1 ALA 85 11.587 8.776 20.667 481 HB2 ALA 85 HB2 ALA 85 9.944 9.294 20.281 482 HB3 ALA 85 HB3 ALA 85 10.412 9.023 21.960 483 H LYS 86 H LYS 86 10.962 6.568 18.534 484 HA LYS 86 HA LYS 86 8.757 7.315 16.948 485 HB3 LYS 86 HB2 LYS 86 9.873 6.187 15.138 486 HG3 LYS 86 HG2 LYS 86 12.120 7.049 15.220 487 HD3 LYS 86 HD2 LYS 86 10.701 9.075 16.866 488 HE3 LYS 86 HE2 LYS 86 12.817 9.460 15.532 489 HZ1 LYS 86 HZ1 LYS 86 12.290 8.279 13.536 490 HZ2 LYS 86 HZ2 LYS 86 12.437 9.919 13.153 491 HZ3 LYS 86 HZ3 LYS 86 10.904 9.213 13.274 492 H SER 87 H SER 87 9.874 4.073 17.929 493 HA SER 87 HA SER 87 7.709 2.659 16.851 494 HB3 SER 87 HB2 SER 87 9.069 1.697 19.342 495 HG SER 87 HG SER 87 9.171 -0.030 17.382 496 H LYS 88 H LYS 88 8.228 3.964 20.106 497 HA LYS 88 HA LYS 88 5.847 2.985 21.245 498 HB3 LYS 88 HB2 LYS 88 6.207 4.931 22.878 499 HG3 LYS 88 HG2 LYS 88 8.283 3.998 23.838 500 HD3 LYS 88 HD2 LYS 88 7.263 1.460 23.481 501 HE3 LYS 88 HE2 LYS 88 6.433 3.684 25.336 502 HZ1 LYS 88 HZ1 LYS 88 5.785 1.598 26.724 503 HZ2 LYS 88 HZ2 LYS 88 5.557 0.885 25.206 504 HZ3 LYS 88 HZ3 LYS 88 4.679 2.268 25.631 505 H LEU 89 H LEU 89 6.610 6.186 19.884 506 HA LEU 89 HA LEU 89 4.165 7.415 20.254 507 HB3 LEU 89 HB2 LEU 89 6.043 7.697 17.911 508 HG LEU 89 HG LEU 89 4.097 8.900 17.274 509 HD11 LEU 89 HD11 LEU 89 2.625 9.310 18.903 510 HD12 LEU 89 HD12 LEU 89 3.532 10.802 19.153 511 HD13 LEU 89 HD13 LEU 89 3.876 9.385 20.145 512 HD21 LEU 89 HD21 LEU 89 5.316 10.653 16.673 513 HD22 LEU 89 HD22 LEU 89 6.543 10.162 17.842 514 HD23 LEU 89 HD23 LEU 89 5.275 11.295 18.316 515 H ASN 90 H ASN 90 5.233 5.626 17.358 516 HA ASN 90 HA ASN 90 2.829 5.786 15.948 517 HB3 ASN 90 HB2 ASN 90 4.172 3.262 15.483 518 HD21 ASN 90 HD21 ASN 90 4.000 2.837 13.389 519 HD22 ASN 90 HD22 ASN 90 3.611 3.990 12.163 520 H ASP 91 H ASP 91 3.782 3.746 18.591 521 HA ASP 91 HA ASP 91 1.771 1.758 18.250 522 HB3 ASP 91 HB2 ASP 91 2.472 1.925 20.988 523 H ALA 92 H ALA 92 1.951 4.816 19.971 524 HA ALA 92 HA ALA 92 -0.588 4.443 21.288 525 HB1 ALA 92 HB1 ALA 92 0.224 7.177 21.291 526 HB2 ALA 92 HB2 ALA 92 0.198 6.025 22.627 527 HB3 ALA 92 HB3 ALA 92 1.630 6.159 21.607 528 H VAL 93 H VAL 93 0.655 6.439 18.626 529 HA VAL 93 HA VAL 93 -1.623 7.883 18.022 530 HB VAL 93 HB VAL 93 0.283 6.772 15.964 531 HG11 VAL 93 HG11 VAL 93 -1.287 9.344 15.967 532 HG12 VAL 93 HG12 VAL 93 -0.312 8.688 14.651 533 HG13 VAL 93 HG13 VAL 93 -1.796 7.871 15.145 534 HG21 VAL 93 HG21 VAL 93 1.913 7.931 16.929 535 HG22 VAL 93 HG22 VAL 93 0.990 9.408 16.655 536 HG23 VAL 93 HG23 VAL 93 0.807 8.521 18.169 537 H GLU 94 H GLU 94 -0.614 4.792 16.553 538 HA GLU 94 HA GLU 94 -2.775 4.350 14.915 539 HB3 GLU 94 HB2 GLU 94 -2.076 1.859 16.133 540 HG3 GLU 94 HG2 GLU 94 -0.541 2.232 13.807 541 H TYR 95 H TYR 95 -2.520 3.824 18.382 542 HA TYR 95 HA TYR 95 -5.052 2.498 18.606 543 HB3 TYR 95 HB2 TYR 95 -3.419 3.817 20.784 544 HD1 TYR 95 HD1 TYR 95 -5.698 4.391 21.787 545 HD2 TYR 95 HD2 TYR 95 -4.400 0.395 21.114 546 HE1 TYR 95 HE1 TYR 95 -7.377 3.582 23.391 547 HE2 TYR 95 HE2 TYR 95 -6.077 -0.425 22.715 548 HH TYR 95 HH TYR 95 -7.600 0.148 24.243 549 H VAL 96 H VAL 96 -3.862 5.785 19.119 550 HA VAL 96 HA VAL 96 -6.238 6.850 20.210 551 HB VAL 96 HB VAL 96 -4.141 8.325 18.612 552 HG11 VAL 96 HG11 VAL 96 -5.948 9.383 20.775 553 HG12 VAL 96 HG12 VAL 96 -4.907 10.300 19.683 554 HG13 VAL 96 HG13 VAL 96 -6.337 9.477 19.057 555 HG21 VAL 96 HG21 VAL 96 -3.980 7.022 21.169 556 HG22 VAL 96 HG22 VAL 96 -2.720 7.855 20.257 557 HG23 VAL 96 HG23 VAL 96 -3.764 8.763 21.351 558 H SER 97 H SER 97 -4.951 6.938 16.889 559 HA SER 97 HA SER 97 -7.088 8.314 15.724 560 HB3 SER 97 HB2 SER 97 -5.985 6.372 13.892 561 HG SER 97 HG SER 97 -4.945 8.565 13.280 562 H GLY 98 H GLY 98 -6.701 4.941 16.555 563 HA2 GLY 98 HA2 GLY 98 -8.981 4.052 15.039 564 HA3 GLY 98 HA3 GLY 98 -8.076 3.110 16.216 565 H ARG 99 H ARG 99 -8.481 5.386 18.186 566 HA ARG 99 HA ARG 99 -11.017 4.398 19.204 567 HB3 ARG 99 HB2 ARG 99 -10.140 6.259 21.022 568 HG3 ARG 99 HG2 ARG 99 -8.791 4.111 21.912 569 HD3 ARG 99 HD2 ARG 99 -11.677 3.691 22.069 570 HE ARG 99 HE ARG 99 -9.544 3.480 23.819 571 HH11 ARG 99 HH11 ARG 99 -12.762 4.806 23.840 572 HH12 ARG 99 HH12 ARG 99 -12.994 4.559 25.538 573 HH21 ARG 99 HH21 ARG 99 -9.836 3.149 26.056 574 HH22 ARG 99 HH22 ARG 99 -11.328 3.617 26.799 575 H VAL 100 H VAL 100 -9.540 7.538 18.422 576 HA VAL 100 HA VAL 100 -11.651 9.210 19.018 577 HB VAL 100 HB VAL 100 -9.703 9.455 16.721 578 HG11 VAL 100 HG11 VAL 100 -11.987 11.043 17.411 579 HG12 VAL 100 HG12 VAL 100 -10.511 11.987 17.632 580 HG13 VAL 100 HG13 VAL 100 -10.856 11.239 16.072 581 HG21 VAL 100 HG21 VAL 100 -9.541 9.949 19.613 582 HG22 VAL 100 HG22 VAL 100 -8.262 9.627 18.442 583 HG23 VAL 100 HG23 VAL 100 -8.925 11.252 18.595 584 H HIS 101 H HIS 101 -11.037 7.477 15.978 585 HA HIS 101 HA HIS 101 -13.884 7.778 15.325 586 HB3 HIS 101 HB2 HIS 101 -12.259 7.743 12.931 587 HD1 HIS 101 HD1 HIS 101 -14.081 10.492 14.843 588 HD2 HIS 101 HD2 HIS 101 -14.293 8.374 11.275 589 HE1 HIS 101 HE1 HIS 101 -16.021 11.483 13.588 590 H GLY 102 H GLY 102 -14.380 6.291 13.330 591 HA2 GLY 102 HA2 GLY 102 -13.732 3.627 14.164 592 HA3 GLY 102 HA3 GLY 102 -14.736 4.074 12.793 593 H GLU 103 H GLU 103 -13.273 1.993 12.283 594 HA GLU 103 HA GLU 103 -10.666 2.723 11.250 595 HB3 GLU 103 HB2 GLU 103 -11.792 0.096 10.531 596 HG3 GLU 103 HG2 GLU 103 -9.236 1.221 11.048 597 H GLU 104 H GLU 104 -10.389 1.328 8.961 598 HA GLU 104 HA GLU 104 -11.363 3.024 6.996 599 HB3 GLU 104 HB2 GLU 104 -9.435 1.455 6.756 600 HG3 GLU 104 HG2 GLU 104 -11.436 -0.636 5.981 601 H ASP 105 H ASP 105 -12.903 2.677 5.298 602 HA ASP 105 HA ASP 105 -14.794 0.588 5.305 603 HB3 ASP 105 HB2 ASP 105 -15.640 1.533 7.346 604 HA PRO 106 HA PRO 106 -14.509 3.293 1.540 605 HB3 PRO 106 HB2 PRO 106 -12.741 2.083 0.711 606 HG3 PRO 106 HG2 PRO 106 -12.357 -0.105 1.400 607 HD3 PRO 106 HD2 PRO 106 -12.583 0.922 3.450 608 H THR 107 H THR 107 -15.672 2.799 -0.647 609 HA THR 107 HA THR 107 -18.258 1.514 -0.053 610 HB THR 107 HB THR 107 -19.396 3.172 -1.382 611 HG1 THR 107 HG1 THR 107 -17.883 3.695 -2.934 612 HG21 THR 107 HG21 THR 107 -19.516 4.437 0.447 613 HG22 THR 107 HG22 THR 107 -17.997 5.217 0.010 614 HG23 THR 107 HG23 THR 107 -17.987 3.769 1.016 615 H LYS 108 H LYS 108 -15.822 0.459 -1.386 616 HA LYS 108 HA LYS 108 -17.144 -0.753 -3.626 617 HB3 LYS 108 HB2 LYS 108 -14.581 0.476 -4.457 618 HG3 LYS 108 HG2 LYS 108 -17.248 0.189 -5.827 619 HD3 LYS 108 HD2 LYS 108 -14.948 0.503 -7.535 620 HE3 LYS 108 HE2 LYS 108 -17.646 1.025 -7.607 621 HZ1 LYS 108 HZ1 LYS 108 -17.258 3.559 -8.341 622 HZ2 LYS 108 HZ2 LYS 108 -16.224 3.478 -7.005 623 HZ3 LYS 108 HZ3 LYS 108 -17.865 3.105 -6.829 624 H LYS 109 H LYS 109 -16.166 -2.662 -4.280 625 HA LYS 109 HA LYS 109 -14.627 -4.034 -2.406 626 HB3 LYS 109 HB2 LYS 109 -14.882 -4.629 -5.360 627 HG3 LYS 109 HG2 LYS 109 -13.614 -6.071 -3.194 628 HD3 LYS 109 HD2 LYS 109 -15.832 -7.415 -4.732 629 HE3 LYS 109 HE2 LYS 109 -13.978 -8.838 -2.866 630 HZ1 LYS 109 HZ1 LYS 109 -15.156 -10.007 -5.275 631 HZ2 LYS 109 HZ2 LYS 109 -16.190 -9.678 -3.979 632 HZ3 LYS 109 HZ3 LYS 109 -14.867 -10.711 -3.763 Start of MODEL 6 1 H1 MET 1 H MET 1 0.579 -44.696 -44.838 2 HA MET 1 HA MET 1 1.438 -42.570 -45.212 3 HB3 MET 1 HB2 MET 1 0.784 -42.382 -47.475 4 HG3 MET 1 HG2 MET 1 -1.884 -41.509 -47.461 5 HE1 MET 1 HE1 MET 1 -1.398 -41.312 -49.970 6 HE2 MET 1 HE2 MET 1 0.274 -41.779 -49.659 7 HE3 MET 1 HE3 MET 1 -0.638 -42.568 -50.948 8 H SER 2 H SER 2 1.115 -42.253 -43.005 9 HA SER 2 HA SER 2 -0.548 -40.135 -42.258 10 HB3 SER 2 HB2 SER 2 -1.623 -42.422 -40.760 11 HG SER 2 HG SER 2 -2.673 -40.543 -40.486 12 H ASP 3 H ASP 3 -0.543 -39.774 -39.873 13 HA ASP 3 HA ASP 3 1.486 -41.274 -38.411 14 HB3 ASP 3 HB2 ASP 3 2.925 -39.486 -38.001 15 H ALA 4 H ALA 4 1.698 -40.237 -36.113 16 HA ALA 4 HA ALA 4 -0.408 -38.757 -35.008 17 HB1 ALA 4 HB1 ALA 4 -1.035 -41.529 -35.491 18 HB2 ALA 4 HB2 ALA 4 -1.107 -41.154 -33.767 19 HB3 ALA 4 HB3 ALA 4 -2.072 -40.225 -34.914 20 H GLY 5 H GLY 5 1.999 -41.282 -34.550 21 HA2 GLY 5 HA2 GLY 5 2.299 -41.044 -31.759 22 HA3 GLY 5 HA3 GLY 5 3.512 -41.667 -32.868 23 H ARG 6 H ARG 6 5.054 -40.628 -31.435 24 HA ARG 6 HA ARG 6 6.485 -38.958 -30.846 25 HB3 ARG 6 HB2 ARG 6 5.993 -37.093 -32.974 26 HG3 ARG 6 HG2 ARG 6 8.191 -38.941 -33.398 27 HD3 ARG 6 HD2 ARG 6 8.267 -36.039 -32.619 28 HE ARG 6 HE ARG 6 10.236 -37.827 -33.630 29 HH11 ARG 6 HH11 ARG 6 9.129 -34.529 -33.775 30 HH12 ARG 6 HH12 ARG 6 10.685 -33.890 -34.191 31 HH21 ARG 6 HH21 ARG 6 12.288 -36.997 -34.178 32 HH22 ARG 6 HH22 ARG 6 12.480 -35.294 -34.421 33 H LYS 7 H LYS 7 6.520 -36.266 -31.020 34 HA LYS 7 HA LYS 7 5.704 -34.360 -30.084 35 HB3 LYS 7 HB2 LYS 7 2.882 -34.852 -30.096 36 HG3 LYS 7 HG2 LYS 7 4.779 -33.008 -31.344 37 HD3 LYS 7 HD2 LYS 7 2.609 -32.338 -32.803 38 HE3 LYS 7 HE2 LYS 7 4.865 -34.170 -33.608 39 HZ1 LYS 7 HZ1 LYS 7 4.259 -32.835 -35.812 40 HZ2 LYS 7 HZ2 LYS 7 2.709 -32.979 -35.153 41 HZ3 LYS 7 HZ3 LYS 7 3.625 -34.364 -35.465 42 H GLY 8 H GLY 8 4.501 -33.507 -28.187 43 HA2 GLY 8 HA2 GLY 8 3.598 -33.701 -26.052 44 HA3 GLY 8 HA3 GLY 8 3.520 -35.442 -26.271 45 H PHE 9 H PHE 9 5.641 -36.599 -26.207 46 HA PHE 9 HA PHE 9 7.138 -35.642 -23.913 47 HB3 PHE 9 HB2 PHE 9 8.159 -38.097 -25.042 48 HD1 PHE 9 HD1 PHE 9 9.097 -36.675 -22.784 49 HD2 PHE 9 HD2 PHE 9 5.812 -39.368 -23.030 50 HE1 PHE 9 HE1 PHE 9 9.328 -37.168 -20.386 51 HE2 PHE 9 HE2 PHE 9 6.037 -39.866 -20.630 52 HZ PHE 9 HZ PHE 9 7.796 -38.765 -19.305 53 H GLY 10 H GLY 10 7.493 -35.876 -27.341 54 HA2 GLY 10 HA2 GLY 10 10.266 -35.952 -27.625 55 HA3 GLY 10 HA3 GLY 10 9.162 -35.187 -28.758 56 H GLU 11 H GLU 11 8.193 -33.046 -27.585 57 HA GLU 11 HA GLU 11 10.199 -31.147 -27.705 58 HB3 GLU 11 HB2 GLU 11 8.173 -30.182 -25.944 59 HG3 GLU 11 HG2 GLU 11 7.684 -29.641 -28.744 60 H LYS 12 H LYS 12 8.682 -32.509 -24.785 61 HA LYS 12 HA LYS 12 10.237 -31.127 -22.913 62 HB3 LYS 12 HB2 LYS 12 9.461 -32.719 -21.297 63 HG3 LYS 12 HG2 LYS 12 7.118 -33.041 -23.006 64 HD3 LYS 12 HD2 LYS 12 7.243 -31.212 -20.668 65 HE3 LYS 12 HE2 LYS 12 5.320 -33.338 -20.557 66 HZ1 LYS 12 HZ1 LYS 12 4.744 -31.399 -19.487 67 HZ2 LYS 12 HZ2 LYS 12 3.825 -31.285 -20.902 68 HZ3 LYS 12 HZ3 LYS 12 5.260 -30.401 -20.752 69 H ALA 13 H ALA 13 10.730 -34.295 -24.427 70 HA ALA 13 HA ALA 13 12.959 -35.150 -23.034 71 HB1 ALA 13 HB1 ALA 13 13.507 -36.064 -25.532 72 HB2 ALA 13 HB2 ALA 13 12.366 -36.816 -24.416 73 HB3 ALA 13 HB3 ALA 13 11.783 -35.713 -25.662 74 H SER 14 H SER 14 12.907 -33.235 -26.041 75 HA SER 14 HA SER 14 15.688 -32.894 -26.234 76 HB3 SER 14 HB2 SER 14 13.605 -30.947 -27.240 77 HG SER 14 HG SER 14 15.152 -30.306 -28.567 78 H GLU 15 H GLU 15 13.272 -31.267 -24.342 79 HA GLU 15 HA GLU 15 14.905 -28.981 -23.727 80 HB3 GLU 15 HB2 GLU 15 13.099 -28.653 -21.925 81 HG3 GLU 15 HG2 GLU 15 11.434 -28.743 -24.245 82 H ALA 16 H ALA 16 14.209 -32.088 -22.261 83 HA ALA 16 HA ALA 16 15.306 -31.581 -19.714 84 HB1 ALA 16 HB1 ALA 16 15.330 -33.978 -19.422 85 HB2 ALA 16 HB2 ALA 16 13.837 -33.494 -20.229 86 HB3 ALA 16 HB3 ALA 16 15.147 -34.221 -21.159 87 H LEU 17 H LEU 17 16.724 -33.291 -22.508 88 HA LEU 17 HA LEU 17 19.263 -33.679 -21.448 89 HB3 LEU 17 HB2 LEU 17 18.451 -34.747 -23.493 90 HG LEU 17 HG LEU 17 17.607 -32.432 -24.491 91 HD11 LEU 17 HD11 LEU 17 20.267 -31.972 -24.647 92 HD12 LEU 17 HD12 LEU 17 19.067 -31.242 -25.713 93 HD13 LEU 17 HD13 LEU 17 19.957 -32.671 -26.239 94 HD21 LEU 17 HD21 LEU 17 17.537 -33.514 -26.681 95 HD22 LEU 17 HD22 LEU 17 17.127 -34.647 -25.394 96 HD23 LEU 17 HD23 LEU 17 18.725 -34.698 -26.139 97 H LYS 18 H LYS 18 17.943 -30.915 -23.206 98 HA LYS 18 HA LYS 18 20.423 -29.487 -23.283 99 HB3 LYS 18 HB2 LYS 18 18.380 -27.616 -23.572 100 HG3 LYS 18 HG2 LYS 18 18.942 -28.968 -26.066 101 HD3 LYS 18 HD2 LYS 18 20.191 -26.687 -26.339 102 HE3 LYS 18 HE2 LYS 18 17.245 -27.145 -26.077 103 HZ1 LYS 18 HZ1 LYS 18 18.616 -24.582 -26.507 104 HZ2 LYS 18 HZ2 LYS 18 17.195 -24.907 -25.654 105 HZ3 LYS 18 HZ3 LYS 18 17.181 -24.898 -27.345 106 HA PRO 19 HA PRO 19 20.471 -27.476 -19.384 107 HB3 PRO 19 HB2 PRO 19 22.380 -26.397 -20.069 108 HG3 PRO 19 HG2 PRO 19 22.615 -25.647 -22.258 109 HD3 PRO 19 HD2 PRO 19 21.946 -27.818 -22.651 110 H ASP 20 H ASP 20 19.930 -25.056 -18.490 111 HA ASP 20 HA ASP 20 17.167 -24.897 -18.327 112 HB3 ASP 20 HB2 ASP 20 17.473 -22.784 -17.214 113 H SER 21 H SER 21 15.935 -22.779 -18.880 114 HA SER 21 HA SER 21 16.073 -22.499 -21.769 115 HB3 SER 21 HB2 SER 21 13.868 -22.849 -21.028 116 HG SER 21 HG SER 21 13.211 -21.016 -19.358 117 H GLN 22 H GLN 22 15.228 -20.082 -22.390 118 HA GLN 22 HA GLN 22 17.321 -18.309 -21.334 119 HB3 GLN 22 HB2 GLN 22 17.323 -17.178 -23.426 120 HG3 GLN 22 HG2 GLN 22 16.836 -19.852 -24.572 121 HE21 GLN 22 HE21 GLN 22 19.905 -19.910 -24.483 122 HE22 GLN 22 HE22 GLN 22 20.359 -18.866 -25.782 123 H LYS 23 H LYS 23 16.440 -15.876 -22.147 124 HA LYS 23 HA LYS 23 14.385 -15.325 -20.207 125 HB3 LYS 23 HB2 LYS 23 14.740 -12.929 -21.232 126 HG3 LYS 23 HG2 LYS 23 16.978 -12.743 -20.007 127 HD3 LYS 23 HD2 LYS 23 14.302 -13.092 -19.063 128 HE3 LYS 23 HE2 LYS 23 16.361 -13.862 -17.013 129 HZ1 LYS 23 HZ1 LYS 23 13.472 -14.413 -16.901 130 HZ2 LYS 23 HZ2 LYS 23 14.048 -12.875 -16.498 131 HZ3 LYS 23 HZ3 LYS 23 14.576 -14.230 -15.632 132 H SER 24 H SER 24 12.718 -16.605 -21.326 133 HA SER 24 HA SER 24 11.039 -14.889 -22.905 134 HB3 SER 24 HB2 SER 24 10.921 -16.159 -24.898 135 HG SER 24 HG SER 24 13.248 -16.442 -25.434 136 H TYR 25 H TYR 25 9.207 -16.664 -23.853 137 HA TYR 25 HA TYR 25 7.600 -17.227 -21.702 138 HB3 TYR 25 HB2 TYR 25 6.981 -19.202 -23.609 139 HD1 TYR 25 HD1 TYR 25 6.644 -15.545 -22.962 140 HD2 TYR 25 HD2 TYR 25 4.679 -19.193 -23.927 141 HE1 TYR 25 HE1 TYR 25 4.468 -14.419 -22.755 142 HE2 TYR 25 HE2 TYR 25 2.496 -18.077 -23.725 143 HH TYR 25 HH TYR 25 2.088 -14.820 -23.729 144 H ALA 26 H ALA 26 10.125 -19.210 -23.105 145 HA ALA 26 HA ALA 26 9.585 -21.685 -22.016 146 HB1 ALA 26 HB1 ALA 26 12.307 -20.420 -22.307 147 HB2 ALA 26 HB2 ALA 26 11.964 -22.145 -22.178 148 HB3 ALA 26 HB3 ALA 26 11.416 -21.239 -23.589 149 H GLU 27 H GLU 27 11.301 -18.964 -20.509 150 HA GLU 27 HA GLU 27 11.709 -20.375 -18.042 151 HB3 GLU 27 HB2 GLU 27 12.002 -17.625 -17.565 152 HG3 GLU 27 HG2 GLU 27 14.391 -18.981 -18.579 153 H GLN 28 H GLN 28 9.414 -18.014 -19.276 154 HA GLN 28 HA GLN 28 8.171 -17.258 -16.908 155 HB3 GLN 28 HB2 GLN 28 6.230 -16.689 -18.282 156 HG3 GLN 28 HG2 GLN 28 8.608 -16.157 -20.022 157 HE21 GLN 28 HE21 GLN 28 8.529 -13.905 -20.784 158 HE22 GLN 28 HE22 GLN 28 6.986 -13.213 -21.132 159 H GLY 29 H GLY 29 7.292 -19.925 -19.107 160 HA2 GLY 29 HA2 GLY 29 5.146 -20.907 -17.590 161 HA3 GLY 29 HA3 GLY 29 6.081 -21.840 -18.749 162 H LYS 30 H LYS 30 8.526 -22.031 -17.677 163 HA LYS 30 HA LYS 30 8.350 -24.080 -15.842 164 HB3 LYS 30 HB2 LYS 30 10.750 -23.698 -15.400 165 HG3 LYS 30 HG2 LYS 30 9.800 -23.515 -18.231 166 HD3 LYS 30 HD2 LYS 30 12.246 -22.529 -17.530 167 HE3 LYS 30 HE2 LYS 30 12.534 -25.224 -17.064 168 HZ1 LYS 30 HZ1 LYS 30 13.723 -24.625 -19.718 169 HZ2 LYS 30 HZ2 LYS 30 12.411 -25.662 -19.457 170 HZ3 LYS 30 HZ3 LYS 30 13.932 -26.047 -18.823 171 H GLU 31 H GLU 31 9.261 -20.704 -15.125 172 HA GLU 31 HA GLU 31 9.325 -21.005 -12.336 173 HB3 GLU 31 HB2 GLU 31 9.231 -18.729 -14.232 174 HG3 GLU 31 HG2 GLU 31 8.368 -18.496 -11.379 175 H TYR 32 H TYR 32 6.697 -20.541 -14.551 176 HA TYR 32 HA TYR 32 4.770 -19.559 -12.734 177 HB3 TYR 32 HB2 TYR 32 4.279 -21.229 -15.208 178 HD1 TYR 32 HD1 TYR 32 2.181 -22.141 -14.374 179 HD2 TYR 32 HD2 TYR 32 2.865 -17.942 -14.448 180 HE1 TYR 32 HE1 TYR 32 -0.221 -21.749 -14.031 181 HE2 TYR 32 HE2 TYR 32 0.464 -17.539 -14.105 182 HH TYR 32 HH TYR 32 -1.550 -18.457 -13.923 183 H ILE 33 H ILE 33 5.587 -22.841 -13.799 184 HA ILE 33 HA ILE 33 3.579 -24.112 -12.226 185 HB ILE 33 HB ILE 33 6.096 -25.471 -13.144 186 HG13 ILE 33 HG12 ILE 33 5.533 -24.429 -15.146 187 HG21 ILE 33 HG21 ILE 33 4.742 -27.419 -13.257 188 HG22 ILE 33 HG22 ILE 33 4.390 -26.640 -11.716 189 HG23 ILE 33 HG23 ILE 33 3.263 -26.480 -13.061 190 HD11 ILE 33 HD11 ILE 33 4.823 -26.039 -16.585 191 HD12 ILE 33 HD12 ILE 33 5.191 -27.038 -15.179 192 HD13 ILE 33 HD13 ILE 33 3.524 -26.578 -15.522 193 H THR 34 H THR 34 6.977 -23.333 -11.734 194 HA THR 34 HA THR 34 7.375 -24.834 -9.384 195 HB THR 34 HB THR 34 8.903 -23.017 -10.945 196 HG1 THR 34 HG1 THR 34 9.530 -25.116 -10.188 197 HG21 THR 34 HG21 THR 34 8.963 -22.387 -7.991 198 HG22 THR 34 HG22 THR 34 8.392 -21.310 -9.265 199 HG23 THR 34 HG23 THR 34 10.092 -21.776 -9.200 200 H ASP 35 H ASP 35 6.041 -21.644 -9.960 201 HA ASP 35 HA ASP 35 6.053 -20.828 -7.223 202 HB3 ASP 35 HB2 ASP 35 4.028 -19.580 -8.932 203 H LYS 36 H LYS 36 3.850 -22.590 -9.272 204 HA LYS 36 HA LYS 36 1.578 -22.368 -7.558 205 HB3 LYS 36 HB2 LYS 36 0.645 -24.193 -8.955 206 HG3 LYS 36 HG2 LYS 36 1.362 -22.980 -11.267 207 HD3 LYS 36 HD2 LYS 36 -0.435 -21.311 -9.684 208 HE3 LYS 36 HE2 LYS 36 -0.434 -22.837 -12.230 209 HZ1 LYS 36 HZ1 LYS 36 -2.501 -23.529 -11.119 210 HZ2 LYS 36 HZ2 LYS 36 -2.790 -22.587 -12.494 211 HZ3 LYS 36 HZ3 LYS 36 -2.948 -21.906 -10.953 212 H ALA 37 H ALA 37 4.073 -24.835 -8.059 213 HA ALA 37 HA ALA 37 3.007 -26.711 -6.226 214 HB1 ALA 37 HB1 ALA 37 4.671 -27.194 -8.044 215 HB2 ALA 37 HB2 ALA 37 5.899 -26.452 -7.019 216 HB3 ALA 37 HB3 ALA 37 5.052 -27.898 -6.472 217 H ASP 38 H ASP 38 4.935 -23.860 -5.852 218 HA ASP 38 HA ASP 38 5.881 -24.526 -3.213 219 HB3 ASP 38 HB2 ASP 38 5.918 -21.691 -3.968 220 H LYS 39 H LYS 39 3.361 -22.476 -4.605 221 HA LYS 39 HA LYS 39 2.500 -21.346 -2.153 222 HB3 LYS 39 HB2 LYS 39 0.283 -21.244 -3.749 223 HG3 LYS 39 HG2 LYS 39 1.991 -19.244 -4.762 224 HD3 LYS 39 HD2 LYS 39 -0.056 -19.305 -2.550 225 HE3 LYS 39 HE2 LYS 39 0.181 -16.723 -3.667 226 HZ1 LYS 39 HZ1 LYS 39 1.214 -16.541 -1.186 227 HZ2 LYS 39 HZ2 LYS 39 0.327 -17.976 -1.078 228 HZ3 LYS 39 HZ3 LYS 39 -0.439 -16.542 -1.544 229 H VAL 40 H VAL 40 1.290 -24.067 -4.093 230 HA VAL 40 HA VAL 40 -0.864 -24.749 -2.429 231 HB VAL 40 HB VAL 40 -0.684 -25.632 -4.686 232 HG11 VAL 40 HG11 VAL 40 1.325 -27.673 -3.994 233 HG12 VAL 40 HG12 VAL 40 1.064 -26.799 -5.505 234 HG13 VAL 40 HG13 VAL 40 1.935 -26.029 -4.179 235 HG21 VAL 40 HG21 VAL 40 -1.217 -27.998 -4.215 236 HG22 VAL 40 HG22 VAL 40 -0.631 -27.778 -2.566 237 HG23 VAL 40 HG23 VAL 40 -2.042 -26.882 -3.127 238 H ALA 41 H ALA 41 2.532 -25.679 -2.362 239 HA ALA 41 HA ALA 41 2.197 -27.629 -0.285 240 HB1 ALA 41 HB1 ALA 41 4.053 -28.124 -1.526 241 HB2 ALA 41 HB2 ALA 41 4.508 -26.433 -1.729 242 HB3 ALA 41 HB3 ALA 41 4.801 -27.246 -0.192 243 H GLY 42 H GLY 42 3.310 -24.266 -0.437 244 HA2 GLY 42 HA2 GLY 42 4.000 -24.092 2.320 245 HA3 GLY 42 HA3 GLY 42 3.760 -22.738 1.223 246 H LYS 43 H LYS 43 1.045 -23.501 0.519 247 HA LYS 43 HA LYS 43 -0.337 -22.103 2.549 248 HB3 LYS 43 HB2 LYS 43 -2.348 -23.267 1.171 249 HG3 LYS 43 HG2 LYS 43 -2.270 -21.417 -0.428 250 HD3 LYS 43 HD2 LYS 43 -1.473 -19.780 1.751 251 HE3 LYS 43 HE2 LYS 43 -3.379 -19.395 0.247 252 HZ1 LYS 43 HZ1 LYS 43 -4.166 -21.728 0.201 253 HZ2 LYS 43 HZ2 LYS 43 -5.397 -20.608 0.507 254 HZ3 LYS 43 HZ3 LYS 43 -4.761 -21.532 1.773 255 H VAL 44 H VAL 44 0.379 -25.444 2.074 256 HA VAL 44 HA VAL 44 -1.573 -26.235 4.120 257 HB VAL 44 HB VAL 44 -1.661 -27.564 2.087 258 HG11 VAL 44 HG11 VAL 44 0.220 -28.928 1.359 259 HG12 VAL 44 HG12 VAL 44 0.652 -27.216 1.350 260 HG13 VAL 44 HG13 VAL 44 1.220 -28.262 2.652 261 HG21 VAL 44 HG21 VAL 44 -1.990 -29.503 3.185 262 HG22 VAL 44 HG22 VAL 44 -0.362 -29.521 3.860 263 HG23 VAL 44 HG23 VAL 44 -1.617 -28.536 4.612 264 H GLN 45 H GLN 45 -0.955 -27.321 5.982 265 HA GLN 45 HA GLN 45 0.350 -27.643 7.823 266 HB3 GLN 45 HB2 GLN 45 2.448 -28.502 5.831 267 HG3 GLN 45 HG2 GLN 45 2.180 -30.278 8.010 268 HE21 GLN 45 HE21 GLN 45 4.270 -27.849 8.912 269 HE22 GLN 45 HE22 GLN 45 5.705 -28.433 8.152 270 HA PRO 46 HA PRO 46 2.637 -23.644 7.125 271 HB3 PRO 46 HB2 PRO 46 0.747 -22.382 7.465 272 HG3 PRO 46 HG2 PRO 46 -1.067 -23.234 8.644 273 HD3 PRO 46 HD2 PRO 46 -0.715 -24.959 7.156 274 H GLU 47 H GLU 47 3.283 -22.193 9.328 275 HA GLU 47 HA GLU 47 4.962 -24.072 10.806 276 HB3 GLU 47 HB2 GLU 47 5.576 -21.456 11.608 277 HG3 GLU 47 HG2 GLU 47 7.017 -22.664 9.308 278 H ASP 48 H ASP 48 2.015 -23.505 11.282 279 HA ASP 48 HA ASP 48 0.605 -23.423 13.065 280 HB3 ASP 48 HB2 ASP 48 1.365 -24.209 15.148 281 H ASN 49 H ASN 49 0.676 -22.262 15.518 282 HA ASN 49 HA ASN 49 0.233 -19.580 15.014 283 HB3 ASN 49 HB2 ASN 49 1.192 -20.240 17.740 284 HD21 ASN 49 HD21 ASN 49 -0.055 -19.222 19.295 285 HD22 ASN 49 HD22 ASN 49 -1.219 -18.010 18.896 286 H LYS 50 H LYS 50 1.422 -17.749 16.197 287 HA LYS 50 HA LYS 50 4.230 -17.883 15.390 288 HB3 LYS 50 HB2 LYS 50 3.056 -16.027 14.448 289 HG3 LYS 50 HG2 LYS 50 1.757 -15.884 17.022 290 HD3 LYS 50 HD2 LYS 50 1.693 -13.202 16.404 291 HE3 LYS 50 HE2 LYS 50 3.688 -13.979 18.424 292 HZ1 LYS 50 HZ1 LYS 50 1.117 -12.498 18.555 293 HZ2 LYS 50 HZ2 LYS 50 2.654 -11.805 18.420 294 HZ3 LYS 50 HZ3 LYS 50 2.225 -12.645 19.824 295 H GLY 51 H GLY 51 5.519 -18.619 16.965 296 HA2 GLY 51 HA2 GLY 51 5.783 -17.095 19.386 297 HA3 GLY 51 HA3 GLY 51 5.119 -18.697 19.665 298 H VAL 52 H VAL 52 7.933 -16.875 19.265 299 HA VAL 52 HA VAL 52 9.713 -18.797 18.234 300 HB VAL 52 HB VAL 52 10.353 -16.570 20.174 301 HG11 VAL 52 HG11 VAL 52 12.138 -18.222 19.948 302 HG12 VAL 52 HG12 VAL 52 12.097 -18.031 18.194 303 HG13 VAL 52 HG13 VAL 52 12.596 -16.685 19.218 304 HG21 VAL 52 HG21 VAL 52 10.755 -15.166 18.276 305 HG22 VAL 52 HG22 VAL 52 10.441 -16.497 17.161 306 HG23 VAL 52 HG23 VAL 52 9.128 -15.831 18.130 307 H PHE 53 H PHE 53 8.284 -18.402 21.357 308 HA PHE 53 HA PHE 53 10.095 -19.629 23.038 309 HB3 PHE 53 HB2 PHE 53 7.643 -20.593 23.910 310 HD1 PHE 53 HD1 PHE 53 9.307 -17.269 23.586 311 HD2 PHE 53 HD2 PHE 53 7.632 -20.208 26.170 312 HE1 PHE 53 HE1 PHE 53 9.974 -15.929 25.539 313 HE2 PHE 53 HE2 PHE 53 8.296 -18.872 28.126 314 HZ PHE 53 HZ PHE 53 9.467 -16.729 27.813 315 H GLN 54 H GLN 54 7.501 -21.205 21.173 316 HA GLN 54 HA GLN 54 8.060 -23.831 21.911 317 HB3 GLN 54 HB2 GLN 54 7.182 -23.993 19.273 318 HG3 GLN 54 HG2 GLN 54 4.918 -23.606 20.935 319 HE21 GLN 54 HE21 GLN 54 4.960 -24.463 18.502 320 HE22 GLN 54 HE22 GLN 54 4.764 -26.175 18.380 321 H GLY 55 H GLY 55 9.708 -21.719 19.719 322 HA2 GLY 55 HA2 GLY 55 10.987 -23.486 18.012 323 HA3 GLY 55 HA3 GLY 55 11.681 -21.971 18.569 324 H VAL 56 H VAL 56 11.554 -22.937 21.398 325 HA VAL 56 HA VAL 56 14.164 -23.822 21.686 326 HB VAL 56 HB VAL 56 12.888 -22.874 23.542 327 HG11 VAL 56 HG11 VAL 56 10.882 -23.615 24.145 328 HG12 VAL 56 HG12 VAL 56 10.956 -24.758 22.802 329 HG13 VAL 56 HG13 VAL 56 11.506 -25.243 24.406 330 HG21 VAL 56 HG21 VAL 56 13.849 -25.675 24.123 331 HG22 VAL 56 HG22 VAL 56 14.865 -24.236 24.025 332 HG23 VAL 56 HG23 VAL 56 13.658 -24.377 25.303 333 H HIS 57 H HIS 57 11.278 -25.624 20.992 334 HA HIS 57 HA HIS 57 12.312 -28.189 21.715 335 HB3 HIS 57 HB2 HIS 57 9.976 -27.366 19.980 336 HD1 HIS 57 HD1 HIS 57 11.539 -30.450 21.562 337 HD2 HIS 57 HD2 HIS 57 8.716 -29.398 18.700 338 HE1 HIS 57 HE1 HIS 57 10.826 -32.612 20.494 339 H ASP 58 H ASP 58 12.345 -26.215 18.836 340 HA ASP 58 HA ASP 58 13.413 -28.380 17.209 341 HB3 ASP 58 HB2 ASP 58 13.396 -25.645 16.103 342 H SER 59 H SER 59 14.505 -25.645 19.022 343 HA SER 59 HA SER 59 16.922 -25.054 17.796 344 HB3 SER 59 HB2 SER 59 15.850 -24.801 20.561 345 HG SER 59 HG SER 59 18.303 -23.767 20.519 346 H ALA 60 H ALA 60 16.011 -27.802 19.705 347 HA ALA 60 HA ALA 60 18.432 -28.747 20.630 348 HB1 ALA 60 HB1 ALA 60 17.376 -31.054 20.275 349 HB2 ALA 60 HB2 ALA 60 16.531 -29.913 21.324 350 HB3 ALA 60 HB3 ALA 60 15.973 -30.171 19.672 351 H GLU 61 H GLU 61 17.181 -28.718 17.374 352 HA GLU 61 HA GLU 61 19.413 -30.363 16.431 353 HB3 GLU 61 HB2 GLU 61 17.102 -29.271 14.822 354 HG3 GLU 61 HG2 GLU 61 19.392 -30.915 14.170 355 H LYS 62 H LYS 62 18.240 -27.105 16.480 356 HA LYS 62 HA LYS 62 20.180 -26.228 14.485 357 HB3 LYS 62 HB2 LYS 62 18.668 -24.161 15.914 358 HG3 LYS 62 HG2 LYS 62 18.914 -24.921 13.012 359 HD3 LYS 62 HD2 LYS 62 16.763 -23.684 13.860 360 HE3 LYS 62 HE2 LYS 62 18.046 -21.157 13.338 361 HZ1 LYS 62 HZ1 LYS 62 16.882 -21.596 15.934 362 HZ2 LYS 62 HZ2 LYS 62 15.865 -22.041 14.659 363 HZ3 LYS 62 HZ3 LYS 62 16.475 -20.466 14.743 364 H GLY 63 H GLY 63 21.093 -23.881 15.234 365 HA2 GLY 63 HA2 GLY 63 21.828 -23.414 17.866 366 HA3 GLY 63 HA3 GLY 63 23.045 -24.495 17.204 367 H LYS 64 H LYS 64 21.408 -21.407 16.585 368 HA LYS 64 HA LYS 64 23.581 -20.522 14.878 369 HB3 LYS 64 HB2 LYS 64 22.160 -18.348 14.936 370 HG3 LYS 64 HG2 LYS 64 20.265 -19.647 13.586 371 HD3 LYS 64 HD2 LYS 64 21.869 -19.664 11.632 372 HE3 LYS 64 HE2 LYS 64 21.401 -17.296 13.393 373 HZ1 LYS 64 HZ1 LYS 64 23.103 -17.383 10.986 374 HZ2 LYS 64 HZ2 LYS 64 23.372 -16.576 12.447 375 HZ3 LYS 64 HZ3 LYS 64 22.213 -15.994 11.361 376 H ASP 65 H ASP 65 24.087 -18.008 15.353 377 HA ASP 65 HA ASP 65 24.765 -17.745 18.200 378 HB3 ASP 65 HB2 ASP 65 27.007 -17.237 17.785 379 H ASN 66 H ASN 66 26.055 -15.356 18.173 380 HA ASN 66 HA ASN 66 24.548 -13.422 16.640 381 HB3 ASN 66 HB2 ASN 66 24.360 -12.691 19.448 382 HD21 ASN 66 HD21 ASN 66 21.456 -13.544 19.214 383 HD22 ASN 66 HD22 ASN 66 20.756 -12.344 18.187 384 H ALA 67 H ALA 67 25.095 -11.136 17.995 385 HA ALA 67 HA ALA 67 28.040 -11.136 18.131 386 HB1 ALA 67 HB1 ALA 67 28.086 -8.994 17.154 387 HB2 ALA 67 HB2 ALA 67 26.932 -9.924 16.197 388 HB3 ALA 67 HB3 ALA 67 26.354 -8.761 17.389 389 H GLU 68 H GLU 68 28.507 -8.659 19.142 390 HA GLU 68 HA GLU 68 27.033 -8.518 21.675 391 HB3 GLU 68 HB2 GLU 68 29.277 -8.117 22.810 392 HG3 GLU 68 HG2 GLU 68 27.972 -10.530 22.260 393 H GLY 69 H GLY 69 29.948 -6.904 20.424 394 HA2 GLY 69 HA2 GLY 69 29.802 -4.697 19.394 395 HA3 GLY 69 HA3 GLY 69 28.435 -4.368 20.448 396 H GLN 70 H GLN 70 29.924 -2.412 20.738 397 HA GLN 70 HA GLN 70 31.474 -2.870 23.177 398 HB3 GLN 70 HB2 GLN 70 33.096 -1.063 22.166 399 HG3 GLN 70 HG2 GLN 70 34.307 -3.005 20.887 400 HE21 GLN 70 HE21 GLN 70 36.095 -3.578 21.976 401 HE22 GLN 70 HE22 GLN 70 36.322 -3.357 23.674 402 H GLY 71 H GLY 71 31.924 -0.833 24.358 403 HA2 GLY 71 HA2 GLY 71 29.720 1.084 23.927 404 HA3 GLY 71 HA3 GLY 71 30.384 0.676 25.502 405 H GLU 72 H GLU 72 30.869 2.484 22.555 406 HA GLU 72 HA GLU 72 32.443 4.435 23.937 407 HB3 GLU 72 HB2 GLU 72 34.219 2.850 23.519 408 HG3 GLU 72 HG2 GLU 72 33.012 2.680 20.835 409 H SER 73 H SER 73 30.152 5.013 22.900 410 HA SER 73 HA SER 73 30.629 6.983 20.976 411 HB3 SER 73 HB2 SER 73 30.739 5.693 19.114 412 HG SER 73 HG SER 73 29.285 3.564 19.392 413 H LEU 74 H LEU 74 29.344 8.287 22.187 414 HA LEU 74 HA LEU 74 26.936 7.652 23.403 415 HB3 LEU 74 HB2 LEU 74 27.876 10.283 22.272 416 HG LEU 74 HG LEU 74 25.461 10.435 22.722 417 HD11 LEU 74 HD11 LEU 74 25.306 10.384 25.491 418 HD12 LEU 74 HD12 LEU 74 26.222 8.937 25.074 419 HD13 LEU 74 HD13 LEU 74 24.627 9.202 24.372 420 HD21 LEU 74 HD21 LEU 74 25.744 12.210 24.629 421 HD22 LEU 74 HD22 LEU 74 26.450 12.484 23.036 422 HD23 LEU 74 HD23 LEU 74 27.462 11.915 24.363 423 H ALA 75 H ALA 75 27.620 8.363 20.075 424 HA ALA 75 HA ALA 75 25.162 9.166 19.105 425 HB1 ALA 75 HB1 ALA 75 26.489 9.190 17.315 426 HB2 ALA 75 HB2 ALA 75 27.565 7.972 18.002 427 HB3 ALA 75 HB3 ALA 75 26.112 7.476 17.136 428 H ASP 76 H ASP 76 26.187 6.003 20.160 429 HA ASP 76 HA ASP 76 24.017 4.563 18.989 430 HB3 ASP 76 HB2 ASP 76 25.134 3.303 21.351 431 H GLN 77 H GLN 77 24.581 6.143 22.071 432 HA GLN 77 HA GLN 77 22.233 5.083 23.324 433 HB3 GLN 77 HB2 GLN 77 22.899 7.369 24.729 434 HG3 GLN 77 HG2 GLN 77 24.616 5.443 25.743 435 HE21 GLN 77 HE21 GLN 77 21.072 5.509 25.570 436 HE22 GLN 77 HE22 GLN 77 20.828 5.941 27.224 437 H ALA 78 H ALA 78 23.048 7.998 21.543 438 HA ALA 78 HA ALA 78 20.629 9.388 22.141 439 HB1 ALA 78 HB1 ALA 78 22.998 9.832 20.480 440 HB2 ALA 78 HB2 ALA 78 21.512 10.524 19.828 441 HB3 ALA 78 HB3 ALA 78 22.056 10.968 21.445 442 H ARG 79 H ARG 79 21.684 7.230 19.572 443 HA ARG 79 HA ARG 79 19.408 7.664 17.903 444 HB3 ARG 79 HB2 ARG 79 21.535 5.529 17.971 445 HG3 ARG 79 HG2 ARG 79 19.014 5.438 16.578 446 HD3 ARG 79 HD2 ARG 79 20.288 6.581 14.806 447 HE ARG 79 HE ARG 79 22.483 5.980 14.649 448 HH11 ARG 79 HH11 ARG 79 20.557 3.100 14.985 449 HH12 ARG 79 HH12 ARG 79 21.891 2.023 14.736 450 HH21 ARG 79 HH21 ARG 79 24.247 4.573 14.320 451 HH22 ARG 79 HH22 ARG 79 23.990 2.861 14.360 452 H ASP 80 H ASP 80 20.354 5.099 20.174 453 HA ASP 80 HA ASP 80 18.147 3.431 19.829 454 HB3 ASP 80 HB2 ASP 80 19.288 3.726 22.565 455 H TYR 81 H TYR 81 18.591 6.228 21.942 456 HA TYR 81 HA TYR 81 16.089 5.954 23.275 457 HB3 TYR 81 HB2 TYR 81 16.981 8.680 23.261 458 HD1 TYR 81 HD1 TYR 81 14.849 7.292 24.676 459 HD2 TYR 81 HD2 TYR 81 18.947 7.740 25.727 460 HE1 TYR 81 HE1 TYR 81 14.262 7.030 27.050 461 HE2 TYR 81 HE2 TYR 81 18.372 7.478 28.105 462 HH TYR 81 HH TYR 81 16.547 6.455 29.454 463 H MET 82 H MET 82 17.218 7.948 20.566 464 HA MET 82 HA MET 82 14.837 9.379 20.167 465 HB3 MET 82 HB2 MET 82 15.845 9.354 17.684 466 HG3 MET 82 HG2 MET 82 17.695 10.983 18.739 467 HE1 MET 82 HE1 MET 82 17.681 13.037 17.746 468 HE2 MET 82 HE2 MET 82 17.017 12.247 16.316 469 HE3 MET 82 HE3 MET 82 16.355 13.790 16.860 470 H GLY 83 H GLY 83 16.069 6.513 18.425 471 HA2 GLY 83 HA2 GLY 83 13.856 6.089 16.793 472 HA3 GLY 83 HA3 GLY 83 14.962 4.831 17.323 473 H ALA 84 H ALA 84 14.367 5.177 20.147 474 HA ALA 84 HA ALA 84 12.325 3.309 20.448 475 HB1 ALA 84 HB1 ALA 84 13.970 4.943 22.196 476 HB2 ALA 84 HB2 ALA 84 12.358 4.657 22.854 477 HB3 ALA 84 HB3 ALA 84 13.385 3.294 22.409 478 H ALA 85 H ALA 85 12.216 6.840 20.854 479 HA ALA 85 HA ALA 85 9.542 7.051 21.632 480 HB1 ALA 85 HB1 ALA 85 10.356 9.106 21.903 481 HB2 ALA 85 HB2 ALA 85 11.627 8.848 20.708 482 HB3 ALA 85 HB3 ALA 85 10.019 9.352 20.188 483 H LYS 86 H LYS 86 10.988 6.665 18.471 484 HA LYS 86 HA LYS 86 8.765 7.407 16.907 485 HB3 LYS 86 HB2 LYS 86 9.881 6.319 15.077 486 HG3 LYS 86 HG2 LYS 86 12.146 7.164 15.184 487 HD3 LYS 86 HD2 LYS 86 10.453 9.090 16.752 488 HE3 LYS 86 HE2 LYS 86 12.071 9.718 14.325 489 HZ1 LYS 86 HZ1 LYS 86 12.383 11.803 15.573 490 HZ2 LYS 86 HZ2 LYS 86 11.390 11.203 16.804 491 HZ3 LYS 86 HZ3 LYS 86 10.755 11.469 15.258 492 H SER 87 H SER 87 9.921 4.166 17.850 493 HA SER 87 HA SER 87 7.762 2.741 16.772 494 HB3 SER 87 HB2 SER 87 9.141 1.764 19.244 495 HG SER 87 HG SER 87 9.100 0.246 16.966 496 H LYS 88 H LYS 88 8.291 4.022 20.036 497 HA LYS 88 HA LYS 88 5.928 3.006 21.182 498 HB3 LYS 88 HB2 LYS 88 6.279 4.941 22.832 499 HG3 LYS 88 HG2 LYS 88 8.373 4.019 23.767 500 HD3 LYS 88 HD2 LYS 88 7.172 1.495 23.126 501 HE3 LYS 88 HE2 LYS 88 6.718 3.216 25.553 502 HZ1 LYS 88 HZ1 LYS 88 6.590 0.330 24.980 503 HZ2 LYS 88 HZ2 LYS 88 5.480 1.303 25.806 504 HZ3 LYS 88 HZ3 LYS 88 6.937 0.865 26.547 505 H LEU 89 H LEU 89 6.650 6.229 19.847 506 HA LEU 89 HA LEU 89 4.195 7.430 20.245 507 HB3 LEU 89 HB2 LEU 89 6.056 7.754 17.894 508 HG LEU 89 HG LEU 89 4.093 8.942 17.281 509 HD11 LEU 89 HD11 LEU 89 2.629 9.325 18.923 510 HD12 LEU 89 HD12 LEU 89 3.523 10.822 19.182 511 HD13 LEU 89 HD13 LEU 89 3.886 9.398 20.157 512 HD21 LEU 89 HD21 LEU 89 6.530 10.224 17.844 513 HD22 LEU 89 HD22 LEU 89 5.256 11.339 18.338 514 HD23 LEU 89 HD23 LEU 89 5.291 10.715 16.689 515 H ASN 90 H ASN 90 5.261 5.681 17.324 516 HA ASN 90 HA ASN 90 2.848 5.831 15.932 517 HB3 ASN 90 HB2 ASN 90 4.258 3.324 15.472 518 HD21 ASN 90 HD21 ASN 90 5.435 6.002 13.767 519 HD22 ASN 90 HD22 ASN 90 4.406 5.877 12.384 520 H ASP 91 H ASP 91 3.836 3.776 18.549 521 HA ASP 91 HA ASP 91 1.842 1.771 18.200 522 HB3 ASP 91 HB2 ASP 91 2.818 2.244 20.940 523 H ALA 92 H ALA 92 2.006 4.813 19.950 524 HA ALA 92 HA ALA 92 -0.521 4.402 21.281 525 HB1 ALA 92 HB1 ALA 92 0.258 5.978 22.631 526 HB2 ALA 92 HB2 ALA 92 1.682 6.135 21.603 527 HB3 ALA 92 HB3 ALA 92 0.266 7.144 21.306 528 H VAL 93 H VAL 93 0.685 6.438 18.630 529 HA VAL 93 HA VAL 93 -1.611 7.866 18.058 530 HB VAL 93 HB VAL 93 0.291 6.791 15.975 531 HG11 VAL 93 HG11 VAL 93 -1.803 7.878 15.180 532 HG12 VAL 93 HG12 VAL 93 -1.302 9.350 16.014 533 HG13 VAL 93 HG13 VAL 93 -0.332 8.713 14.685 534 HG21 VAL 93 HG21 VAL 93 0.812 8.523 18.193 535 HG22 VAL 93 HG22 VAL 93 1.918 7.958 16.941 536 HG23 VAL 93 HG23 VAL 93 0.977 9.426 16.687 537 H GLU 94 H GLU 94 -0.583 4.798 16.552 538 HA GLU 94 HA GLU 94 -2.752 4.350 14.922 539 HB3 GLU 94 HB2 GLU 94 -2.021 1.855 16.113 540 HG3 GLU 94 HG2 GLU 94 -0.505 2.265 13.779 541 H TYR 95 H TYR 95 -2.467 3.795 18.383 542 HA TYR 95 HA TYR 95 -4.985 2.442 18.612 543 HB3 TYR 95 HB2 TYR 95 -3.348 3.755 20.791 544 HD1 TYR 95 HD1 TYR 95 -5.594 4.307 21.847 545 HD2 TYR 95 HD2 TYR 95 -4.330 0.320 21.066 546 HE1 TYR 95 HE1 TYR 95 -7.254 3.472 23.457 547 HE2 TYR 95 HE2 TYR 95 -5.988 -0.525 22.673 548 HH TYR 95 HH TYR 95 -8.008 0.118 23.747 549 H VAL 96 H VAL 96 -3.823 5.735 19.150 550 HA VAL 96 HA VAL 96 -6.201 6.767 20.266 551 HB VAL 96 HB VAL 96 -4.130 8.278 18.668 552 HG11 VAL 96 HG11 VAL 96 -6.333 9.404 19.143 553 HG12 VAL 96 HG12 VAL 96 -5.928 9.299 20.857 554 HG13 VAL 96 HG13 VAL 96 -4.907 10.233 19.763 555 HG21 VAL 96 HG21 VAL 96 -3.937 6.950 21.211 556 HG22 VAL 96 HG22 VAL 96 -2.692 7.805 20.298 557 HG23 VAL 96 HG23 VAL 96 -3.736 8.692 21.408 558 H SER 97 H SER 97 -4.939 6.897 16.938 559 HA SER 97 HA SER 97 -7.098 8.263 15.802 560 HB3 SER 97 HB2 SER 97 -5.986 6.355 13.940 561 HG SER 97 HG SER 97 -5.251 8.299 12.988 562 H GLY 98 H GLY 98 -6.670 4.888 16.599 563 HA2 GLY 98 HA2 GLY 98 -8.949 3.988 15.087 564 HA3 GLY 98 HA3 GLY 98 -8.024 3.043 16.245 565 H ARG 99 H ARG 99 -8.442 5.293 18.244 566 HA ARG 99 HA ARG 99 -10.960 4.265 19.266 567 HB3 ARG 99 HB2 ARG 99 -10.087 6.105 21.107 568 HG3 ARG 99 HG2 ARG 99 -8.708 3.957 21.954 569 HD3 ARG 99 HD2 ARG 99 -11.663 3.697 22.032 570 HE ARG 99 HE ARG 99 -9.721 2.738 23.641 571 HH11 ARG 99 HH11 ARG 99 -12.306 5.018 24.135 572 HH12 ARG 99 HH12 ARG 99 -12.496 4.637 25.814 573 HH21 ARG 99 HH21 ARG 99 -9.964 2.228 25.851 574 HH22 ARG 99 HH22 ARG 99 -11.163 3.050 26.789 575 H VAL 100 H VAL 100 -9.518 7.423 18.500 576 HA VAL 100 HA VAL 100 -11.625 9.079 19.144 577 HB VAL 100 HB VAL 100 -9.730 9.355 16.806 578 HG11 VAL 100 HG11 VAL 100 -10.880 11.160 16.220 579 HG12 VAL 100 HG12 VAL 100 -12.001 10.921 17.561 580 HG13 VAL 100 HG13 VAL 100 -10.530 11.869 17.795 581 HG21 VAL 100 HG21 VAL 100 -8.197 10.251 18.212 582 HG22 VAL 100 HG22 VAL 100 -9.416 10.950 19.277 583 HG23 VAL 100 HG23 VAL 100 -9.026 9.235 19.391 584 H HIS 101 H HIS 101 -11.150 7.146 16.232 585 HA HIS 101 HA HIS 101 -13.854 7.917 15.349 586 HB3 HIS 101 HB2 HIS 101 -12.604 6.708 13.176 587 HD1 HIS 101 HD1 HIS 101 -15.023 8.391 13.274 588 HD2 HIS 101 HD2 HIS 101 -11.263 10.025 12.595 589 HE1 HIS 101 HE1 HIS 101 -15.441 10.586 12.121 590 H GLY 102 H GLY 102 -14.817 6.118 13.872 591 HA2 GLY 102 HA2 GLY 102 -14.234 3.462 13.971 592 HA3 GLY 102 HA3 GLY 102 -15.011 3.762 15.518 593 H GLU 103 H GLU 103 -16.670 2.287 14.833 594 HA GLU 103 HA GLU 103 -18.670 3.613 13.140 595 HB3 GLU 103 HB2 GLU 103 -17.737 1.934 11.718 596 HG3 GLU 103 HG2 GLU 103 -18.138 0.010 13.996 597 H GLU 104 H GLU 104 -20.879 2.850 13.518 598 HA GLU 104 HA GLU 104 -21.619 1.160 15.619 599 HB3 GLU 104 HB2 GLU 104 -22.326 3.767 16.679 600 HG3 GLU 104 HG2 GLU 104 -21.101 1.261 17.710 601 H ASP 105 H ASP 105 -23.952 1.477 16.252 602 HA ASP 105 HA ASP 105 -25.542 1.712 13.957 603 HB3 ASP 105 HB2 ASP 105 -27.371 1.992 15.931 604 HA PRO 106 HA PRO 106 -26.549 5.963 13.573 605 HB3 PRO 106 HB2 PRO 106 -27.909 5.387 11.814 606 HG3 PRO 106 HG2 PRO 106 -29.187 3.444 11.873 607 HD3 PRO 106 HD2 PRO 106 -27.131 2.586 12.466 608 H THR 107 H THR 107 -29.091 4.218 15.366 609 HA THR 107 HA THR 107 -30.323 4.771 17.200 610 HB THR 107 HB THR 107 -28.487 6.697 18.379 611 HG1 THR 107 HG1 THR 107 -26.695 5.327 18.468 612 HG21 THR 107 HG21 THR 107 -28.499 5.096 20.210 613 HG22 THR 107 HG22 THR 107 -29.255 3.885 19.173 614 HG23 THR 107 HG23 THR 107 -30.140 5.345 19.614 615 H LYS 108 H LYS 108 -30.849 6.899 18.667 616 HA LYS 108 HA LYS 108 -31.568 8.996 16.726 617 HB3 LYS 108 HB2 LYS 108 -33.372 9.367 18.698 618 HG3 LYS 108 HG2 LYS 108 -34.359 7.210 17.073 619 HD3 LYS 108 HD2 LYS 108 -34.826 10.188 17.154 620 HE3 LYS 108 HE2 LYS 108 -35.423 9.325 14.951 621 HZ1 LYS 108 HZ1 LYS 108 -36.983 7.337 16.497 622 HZ2 LYS 108 HZ2 LYS 108 -35.797 7.041 15.328 623 HZ3 LYS 108 HZ3 LYS 108 -37.295 7.682 14.871 624 H LYS 109 H LYS 109 -30.492 10.821 17.033 625 HA LYS 109 HA LYS 109 -29.301 12.497 18.013 626 HB3 LYS 109 HB2 LYS 109 -31.192 11.932 20.304 627 HG3 LYS 109 HG2 LYS 109 -29.355 14.209 19.734 628 HD3 LYS 109 HD2 LYS 109 -31.624 15.176 19.714 629 HE3 LYS 109 HE2 LYS 109 -32.438 15.031 22.347 630 HZ1 LYS 109 HZ1 LYS 109 -33.487 14.504 19.869 631 HZ2 LYS 109 HZ2 LYS 109 -34.334 14.548 21.331 632 HZ3 LYS 109 HZ3 LYS 109 -33.743 13.078 20.741 Start of MODEL 7 1 H1 MET 1 H MET 1 37.943 -8.463 -16.661 2 HA MET 1 HA MET 1 36.889 -9.532 -14.580 3 HB3 MET 1 HB2 MET 1 37.292 -7.385 -12.847 4 HG3 MET 1 HG2 MET 1 37.616 -10.165 -12.796 5 HE1 MET 1 HE1 MET 1 39.302 -8.246 -10.225 6 HE2 MET 1 HE2 MET 1 39.836 -9.839 -9.682 7 HE3 MET 1 HE3 MET 1 41.015 -8.661 -10.261 8 H SER 2 H SER 2 34.938 -9.145 -15.447 9 HA SER 2 HA SER 2 34.099 -6.534 -16.278 10 HB3 SER 2 HB2 SER 2 31.964 -7.615 -16.809 11 HG SER 2 HG SER 2 34.093 -8.077 -18.002 12 H ASP 3 H ASP 3 32.491 -8.750 -13.999 13 HA ASP 3 HA ASP 3 31.346 -8.381 -12.068 14 HB3 ASP 3 HB2 ASP 3 32.336 -7.003 -10.455 15 H ALA 4 H ALA 4 29.313 -7.958 -12.804 16 HA ALA 4 HA ALA 4 28.320 -5.302 -12.462 17 HB1 ALA 4 HB1 ALA 4 28.749 -6.359 -15.212 18 HB2 ALA 4 HB2 ALA 4 27.319 -5.376 -14.889 19 HB3 ALA 4 HB3 ALA 4 28.928 -4.717 -14.591 20 H GLY 5 H GLY 5 26.102 -5.251 -12.182 21 HA2 GLY 5 HA2 GLY 5 23.908 -6.224 -12.544 22 HA3 GLY 5 HA3 GLY 5 24.676 -7.804 -12.574 23 H ARG 6 H ARG 6 22.488 -7.344 -10.977 24 HA ARG 6 HA ARG 6 21.723 -7.610 -8.851 25 HB3 ARG 6 HB2 ARG 6 23.594 -8.486 -7.209 26 HG3 ARG 6 HG2 ARG 6 22.952 -10.238 -9.559 27 HD3 ARG 6 HD2 ARG 6 22.775 -11.948 -7.774 28 HE ARG 6 HE ARG 6 25.213 -10.800 -8.610 29 HH11 ARG 6 HH11 ARG 6 23.907 -12.970 -6.221 30 HH12 ARG 6 HH12 ARG 6 25.373 -13.874 -6.050 31 HH21 ARG 6 HH21 ARG 6 27.151 -11.983 -8.393 32 HH22 ARG 6 HH22 ARG 6 27.220 -13.311 -7.286 33 H LYS 7 H LYS 7 23.166 -5.080 -9.747 34 HA LYS 7 HA LYS 7 22.842 -3.646 -7.317 35 HB3 LYS 7 HB2 LYS 7 25.427 -2.842 -7.704 36 HG3 LYS 7 HG2 LYS 7 23.991 -4.190 -5.680 37 HD3 LYS 7 HD2 LYS 7 26.769 -5.144 -5.463 38 HE3 LYS 7 HE2 LYS 7 24.905 -7.176 -4.970 39 HZ1 LYS 7 HZ1 LYS 7 26.244 -7.209 -3.225 40 HZ2 LYS 7 HZ2 LYS 7 25.434 -5.870 -2.587 41 HZ3 LYS 7 HZ3 LYS 7 26.807 -5.646 -3.549 42 H GLY 8 H GLY 8 23.062 -1.348 -7.597 43 HA2 GLY 8 HA2 GLY 8 23.105 0.625 -8.802 44 HA3 GLY 8 HA3 GLY 8 23.787 -0.264 -10.156 45 H PHE 9 H PHE 9 22.129 -1.848 -11.179 46 HA PHE 9 HA PHE 9 19.801 -0.239 -11.851 47 HB3 PHE 9 HB2 PHE 9 19.920 -2.758 -13.248 48 HD1 PHE 9 HD2 PHE 9 21.052 0.784 -13.592 49 HD2 PHE 9 HD1 PHE 9 18.744 -2.420 -15.181 50 HE1 PHE 9 HE2 PHE 9 20.264 2.252 -15.402 51 HE2 PHE 9 HE1 PHE 9 17.955 -0.957 -16.994 52 HZ PHE 9 HZ PHE 9 18.713 1.384 -17.105 53 H GLY 10 H GLY 10 20.616 -3.055 -10.039 54 HA2 GLY 10 HA2 GLY 10 18.133 -4.396 -10.098 55 HA3 GLY 10 HA3 GLY 10 19.355 -4.556 -8.846 56 H GLU 11 H GLU 11 19.477 -2.248 -7.585 57 HA GLU 11 HA GLU 11 17.276 -2.190 -5.914 58 HB3 GLU 11 HB2 GLU 11 19.648 -1.135 -5.663 59 HG3 GLU 11 HG2 GLU 11 18.115 1.315 -6.487 60 H LYS 12 H LYS 12 17.873 -0.405 -8.872 61 HA LYS 12 HA LYS 12 15.597 1.324 -8.558 62 HB3 LYS 12 HB2 LYS 12 16.141 2.156 -10.749 63 HG3 LYS 12 HG2 LYS 12 18.474 2.751 -10.578 64 HD3 LYS 12 HD2 LYS 12 18.165 2.857 -7.755 65 HE3 LYS 12 HE2 LYS 12 17.767 5.204 -8.151 66 HZ1 LYS 12 HZ1 LYS 12 19.525 5.000 -10.354 67 HZ2 LYS 12 HZ2 LYS 12 19.930 3.831 -9.200 68 HZ3 LYS 12 HZ3 LYS 12 19.864 5.464 -8.764 69 H ALA 13 H ALA 13 16.364 -1.550 -10.488 70 HA ALA 13 HA ALA 13 14.071 -1.733 -12.017 71 HB1 ALA 13 HB1 ALA 13 16.161 -3.562 -11.135 72 HB2 ALA 13 HB2 ALA 13 14.615 -4.358 -11.430 73 HB3 ALA 13 HB3 ALA 13 15.375 -3.410 -12.707 74 H SER 14 H SER 14 14.634 -3.135 -8.791 75 HA SER 14 HA SER 14 12.080 -4.259 -8.484 76 HB3 SER 14 HB2 SER 14 13.847 -3.230 -6.254 77 HG SER 14 HG SER 14 12.622 -5.597 -5.866 78 H GLU 15 H GLU 15 13.248 -1.015 -8.076 79 HA GLU 15 HA GLU 15 10.971 -0.110 -6.563 80 HB3 GLU 15 HB2 GLU 15 11.973 2.189 -7.211 81 HG3 GLU 15 HG2 GLU 15 14.199 1.128 -5.831 82 H ALA 16 H ALA 16 11.979 -0.128 -9.928 83 HA ALA 16 HA ALA 16 10.009 1.630 -10.925 84 HB1 ALA 16 HB1 ALA 16 12.032 1.001 -12.174 85 HB2 ALA 16 HB2 ALA 16 11.390 -0.630 -12.367 86 HB3 ALA 16 HB3 ALA 16 10.561 0.737 -13.110 87 H LEU 17 H LEU 17 10.072 -1.885 -10.505 88 HA LEU 17 HA LEU 17 7.489 -2.280 -11.678 89 HB3 LEU 17 HB2 LEU 17 9.176 -4.034 -11.710 90 HG LEU 17 HG LEU 17 9.915 -3.529 -9.211 91 HD11 LEU 17 HD11 LEU 17 8.506 -6.024 -8.583 92 HD12 LEU 17 HD12 LEU 17 7.478 -4.595 -8.692 93 HD13 LEU 17 HD13 LEU 17 8.840 -4.620 -7.570 94 HD21 LEU 17 HD21 LEU 17 9.933 -6.240 -10.533 95 HD22 LEU 17 HD22 LEU 17 10.960 -5.765 -9.179 96 HD23 LEU 17 HD23 LEU 17 11.124 -4.956 -10.737 97 H LYS 18 H LYS 18 8.752 -1.993 -8.398 98 HA LYS 18 HA LYS 18 6.533 -2.744 -6.929 99 HB3 LYS 18 HB2 LYS 18 7.582 -0.566 -5.540 100 HG3 LYS 18 HG2 LYS 18 9.121 -3.029 -5.218 101 HD3 LYS 18 HD2 LYS 18 8.175 -2.809 -2.909 102 HE3 LYS 18 HE2 LYS 18 9.814 -0.784 -4.294 103 HZ1 LYS 18 HZ1 LYS 18 8.121 0.131 -2.350 104 HZ2 LYS 18 HZ2 LYS 18 9.540 0.886 -2.876 105 HZ3 LYS 18 HZ3 LYS 18 9.575 -0.134 -1.527 106 HA PRO 19 HA PRO 19 3.408 0.286 -7.485 107 HB3 PRO 19 HB2 PRO 19 2.146 -0.870 -5.951 108 HG3 PRO 19 HG2 PRO 19 3.126 -1.832 -4.075 109 HD3 PRO 19 HD2 PRO 19 4.529 -2.642 -5.713 110 H ASP 20 H ASP 20 2.469 2.320 -6.097 111 HA ASP 20 HA ASP 20 4.288 4.387 -6.443 112 HB3 ASP 20 HB2 ASP 20 2.675 5.666 -4.879 113 H SER 21 H SER 21 4.954 5.951 -4.662 114 HA SER 21 HA SER 21 5.475 4.880 -2.062 115 HB3 SER 21 HB2 SER 21 7.535 4.033 -2.319 116 HG SER 21 HG SER 21 7.197 4.671 -5.067 117 H GLN 22 H GLN 22 7.531 6.431 -1.214 118 HA GLN 22 HA GLN 22 6.334 8.943 -0.870 119 HB3 GLN 22 HB2 GLN 22 8.323 9.574 0.311 120 HG3 GLN 22 HG2 GLN 22 8.167 6.600 0.686 121 HE21 GLN 22 HE21 GLN 22 10.211 6.550 1.588 122 HE22 GLN 22 HE22 GLN 22 10.578 7.302 3.099 123 H LYS 23 H LYS 23 8.193 10.888 -1.184 124 HA LYS 23 HA LYS 23 7.855 11.754 -3.784 125 HB3 LYS 23 HB2 LYS 23 10.109 13.087 -3.105 126 HG3 LYS 23 HG2 LYS 23 7.807 13.903 -1.464 127 HD3 LYS 23 HD2 LYS 23 8.415 15.768 -3.465 128 HE3 LYS 23 HE2 LYS 23 9.866 15.997 -0.914 129 HZ1 LYS 23 HZ1 LYS 23 7.700 17.796 -1.542 130 HZ2 LYS 23 HZ2 LYS 23 8.898 17.724 -2.735 131 HZ3 LYS 23 HZ3 LYS 23 9.311 18.135 -1.147 132 H SER 24 H SER 24 8.578 10.914 -5.617 133 HA SER 24 HA SER 24 10.856 9.158 -5.678 134 HB3 SER 24 HB2 SER 24 10.258 9.503 -8.292 135 HG SER 24 HG SER 24 8.816 7.733 -7.993 136 H TYR 25 H TYR 25 10.582 12.435 -5.641 137 HA TYR 25 HA TYR 25 12.200 13.417 -7.651 138 HB3 TYR 25 HB2 TYR 25 12.905 14.949 -5.453 139 HD1 TYR 25 HD1 TYR 25 9.816 14.288 -7.454 140 HD2 TYR 25 HD2 TYR 25 12.695 17.139 -6.151 141 HE1 TYR 25 HE1 TYR 25 8.747 16.001 -8.859 142 HE2 TYR 25 HE2 TYR 25 11.633 18.859 -7.551 143 HH TYR 25 HH TYR 25 9.129 19.163 -8.513 144 H ALA 26 H ALA 26 13.070 11.627 -4.799 145 HA ALA 26 HA ALA 26 15.738 12.240 -4.478 146 HB1 ALA 26 HB1 ALA 26 16.006 10.087 -3.450 147 HB2 ALA 26 HB2 ALA 26 14.415 10.723 -3.026 148 HB3 ALA 26 HB3 ALA 26 14.565 9.474 -4.262 149 H GLU 27 H GLU 27 14.310 9.858 -6.697 150 HA GLU 27 HA GLU 27 16.853 9.158 -7.832 151 HB3 GLU 27 HB2 GLU 27 14.559 8.478 -9.476 152 HG3 GLU 27 HG2 GLU 27 16.556 6.883 -7.900 153 H GLN 28 H GLN 28 14.156 11.241 -8.718 154 HA GLN 28 HA GLN 28 14.822 11.825 -11.344 155 HB3 GLN 28 HB2 GLN 28 13.558 13.893 -11.061 156 HG3 GLN 28 HG2 GLN 28 12.217 11.889 -9.281 157 HE21 GLN 28 HE21 GLN 28 9.986 12.014 -9.348 158 HE22 GLN 28 HE22 GLN 28 9.152 13.381 -9.998 159 H GLY 29 H GLY 29 15.823 13.564 -8.396 160 HA2 GLY 29 HA2 GLY 29 17.454 15.459 -9.670 161 HA3 GLY 29 HA3 GLY 29 17.603 14.956 -7.994 162 H LYS 30 H LYS 30 18.403 12.417 -8.070 163 HA LYS 30 HA LYS 30 21.115 12.512 -8.530 164 HB3 LYS 30 HB2 LYS 30 21.081 10.046 -8.420 165 HG3 LYS 30 HG2 LYS 30 19.347 11.556 -6.506 166 HD3 LYS 30 HD2 LYS 30 18.941 8.893 -6.909 167 HE3 LYS 30 HE2 LYS 30 21.361 9.216 -5.276 168 HZ1 LYS 30 HZ1 LYS 30 20.627 7.176 -3.954 169 HZ2 LYS 30 HZ2 LYS 30 19.045 7.664 -4.303 170 HZ3 LYS 30 HZ3 LYS 30 20.074 8.689 -3.433 171 H GLU 31 H GLU 31 18.680 10.979 -10.638 172 HA GLU 31 HA GLU 31 20.432 10.274 -12.701 173 HB3 GLU 31 HB2 GLU 31 17.483 10.694 -12.498 174 HG3 GLU 31 HG2 GLU 31 17.960 11.593 -14.703 175 H TYR 32 H TYR 32 18.889 13.301 -11.928 176 HA TYR 32 HA TYR 32 19.134 14.605 -14.394 177 HB3 TYR 32 HB2 TYR 32 19.371 15.886 -11.665 178 HD1 TYR 32 HD2 TYR 32 20.764 17.669 -12.730 179 HD2 TYR 32 HD1 TYR 32 16.817 16.794 -14.057 180 HE1 TYR 32 HE2 TYR 32 20.674 19.842 -13.877 181 HE2 TYR 32 HE1 TYR 32 16.717 18.963 -15.209 182 HH TYR 32 HH TYR 32 18.153 20.653 -16.081 183 H ILE 33 H ILE 33 21.349 14.558 -11.609 184 HA ILE 33 HA ILE 33 23.346 16.164 -12.770 185 HB ILE 33 HB ILE 33 23.849 13.992 -10.744 186 HG13 ILE 33 HG12 ILE 33 22.154 16.330 -10.539 187 HG21 ILE 33 HG21 ILE 33 25.859 14.988 -11.573 188 HG22 ILE 33 HG22 ILE 33 25.202 16.610 -11.367 189 HG23 ILE 33 HG23 ILE 33 25.566 15.620 -9.954 190 HD11 ILE 33 HD11 ILE 33 22.862 14.514 -8.274 191 HD12 ILE 33 HD12 ILE 33 21.343 15.345 -8.607 192 HD13 ILE 33 HD13 ILE 33 21.828 13.966 -9.593 193 H THR 34 H THR 34 23.188 12.618 -12.424 194 HA THR 34 HA THR 34 25.501 11.910 -13.714 195 HB THR 34 HB THR 34 24.382 9.790 -14.345 196 HG1 THR 34 HG1 THR 34 22.102 11.302 -13.663 197 HG21 THR 34 HG21 THR 34 25.244 10.179 -12.044 198 HG22 THR 34 HG22 THR 34 23.893 9.046 -12.101 199 HG23 THR 34 HG23 THR 34 23.630 10.707 -11.569 200 H ASP 35 H ASP 35 22.320 12.447 -15.218 201 HA ASP 35 HA ASP 35 23.014 11.901 -17.851 202 HB3 ASP 35 HB2 ASP 35 21.158 14.166 -17.475 203 H LYS 36 H LYS 36 23.491 14.814 -15.948 204 HA LYS 36 HA LYS 36 24.315 16.448 -18.139 205 HB3 LYS 36 HB2 LYS 36 25.123 17.990 -16.358 206 HG3 LYS 36 HG2 LYS 36 22.793 17.857 -15.007 207 HD3 LYS 36 HD2 LYS 36 22.310 18.817 -17.698 208 HE3 LYS 36 HE2 LYS 36 22.492 19.932 -14.934 209 HZ1 LYS 36 HZ1 LYS 36 23.246 21.845 -15.779 210 HZ2 LYS 36 HZ2 LYS 36 21.679 22.033 -16.390 211 HZ3 LYS 36 HZ3 LYS 36 22.904 21.412 -17.379 212 H ALA 37 H ALA 37 26.012 14.560 -15.673 213 HA ALA 37 HA ALA 37 28.624 15.349 -16.447 214 HB1 ALA 37 HB1 ALA 37 29.203 13.122 -15.217 215 HB2 ALA 37 HB2 ALA 37 28.564 14.494 -14.309 216 HB3 ALA 37 HB3 ALA 37 27.500 13.159 -14.758 217 H ASP 38 H ASP 38 26.392 12.977 -17.635 218 HA ASP 38 HA ASP 38 28.350 11.428 -19.056 219 HB3 ASP 38 HB2 ASP 38 25.581 11.254 -20.004 220 H LYS 39 H LYS 39 26.016 13.954 -19.878 221 HA LYS 39 HA LYS 39 26.510 13.920 -22.669 222 HB3 LYS 39 HB2 LYS 39 25.652 16.470 -22.171 223 HG3 LYS 39 HG2 LYS 39 23.337 14.876 -21.958 224 HD3 LYS 39 HD2 LYS 39 24.321 15.603 -24.643 225 HE3 LYS 39 HE2 LYS 39 21.855 16.190 -23.012 226 HZ1 LYS 39 HZ1 LYS 39 22.089 16.758 -25.891 227 HZ2 LYS 39 HZ2 LYS 39 22.573 17.921 -24.761 228 HZ3 LYS 39 HZ3 LYS 39 20.976 17.365 -24.770 229 H VAL 40 H VAL 40 27.635 16.122 -20.100 230 HA VAL 40 HA VAL 40 29.270 17.739 -21.660 231 HB VAL 40 HB VAL 40 28.735 18.307 -19.357 232 HG11 VAL 40 HG11 VAL 40 29.241 15.725 -18.748 233 HG12 VAL 40 HG12 VAL 40 30.724 16.488 -18.173 234 HG13 VAL 40 HG13 VAL 40 29.160 17.021 -17.555 235 HG21 VAL 40 HG21 VAL 40 30.705 19.333 -20.320 236 HG22 VAL 40 HG22 VAL 40 30.976 19.015 -18.606 237 HG23 VAL 40 HG23 VAL 40 31.696 17.961 -19.822 238 H ALA 41 H ALA 41 29.922 14.609 -20.185 239 HA ALA 41 HA ALA 41 32.714 14.616 -20.844 240 HB1 ALA 41 HB1 ALA 41 32.374 12.077 -20.329 241 HB2 ALA 41 HB2 ALA 41 32.294 13.266 -19.029 242 HB3 ALA 41 HB3 ALA 41 30.808 12.613 -19.721 243 H GLY 42 H GLY 42 29.885 12.842 -22.106 244 HA2 GLY 42 HA2 GLY 42 31.216 11.512 -24.179 245 HA3 GLY 42 HA3 GLY 42 29.497 11.877 -24.151 246 H LYS 43 H LYS 43 29.839 14.745 -24.050 247 HA LYS 43 HA LYS 43 29.864 15.318 -26.793 248 HB3 LYS 43 HB2 LYS 43 30.375 17.746 -25.644 249 HG3 LYS 43 HG2 LYS 43 27.960 18.062 -25.445 250 HD3 LYS 43 HD2 LYS 43 28.126 16.380 -27.870 251 HE3 LYS 43 HE2 LYS 43 27.313 19.173 -27.153 252 HZ1 LYS 43 HZ1 LYS 43 27.341 18.188 -29.938 253 HZ2 LYS 43 HZ2 LYS 43 28.630 19.083 -29.308 254 HZ3 LYS 43 HZ3 LYS 43 27.082 19.764 -29.381 255 H VAL 44 H VAL 44 32.428 15.005 -24.533 256 HA VAL 44 HA VAL 44 34.356 16.662 -25.774 257 HB VAL 44 HB VAL 44 34.875 14.170 -24.149 258 HG11 VAL 44 HG11 VAL 44 36.574 16.186 -25.359 259 HG12 VAL 44 HG12 VAL 44 36.829 16.058 -23.618 260 HG13 VAL 44 HG13 VAL 44 37.001 14.632 -24.642 261 HG21 VAL 44 HG21 VAL 44 34.922 15.583 -22.195 262 HG22 VAL 44 HG22 VAL 44 34.592 17.012 -23.176 263 HG23 VAL 44 HG23 VAL 44 33.363 15.759 -23.001 264 H GLN 45 H GLN 45 35.638 16.356 -27.492 265 HA GLN 45 HA GLN 45 35.536 13.727 -28.816 266 HB3 GLN 45 HB2 GLN 45 36.357 15.389 -30.788 267 HG3 GLN 45 HG2 GLN 45 33.433 15.247 -30.174 268 HE21 GLN 45 HE21 GLN 45 34.607 17.197 -31.696 269 HE22 GLN 45 HE22 GLN 45 34.280 16.905 -33.367 270 HA PRO 46 HA PRO 46 39.918 14.408 -27.449 271 HB3 PRO 46 HB2 PRO 46 39.594 13.149 -25.554 272 HG3 PRO 46 HG2 PRO 46 37.883 11.581 -25.434 273 HD3 PRO 46 HD2 PRO 46 36.696 13.407 -26.191 274 H GLU 47 H GLU 47 41.663 12.357 -27.797 275 HA GLU 47 HA GLU 47 42.210 12.365 -30.509 276 HB3 GLU 47 HB2 GLU 47 43.388 10.027 -29.640 277 HG3 GLU 47 HG2 GLU 47 45.366 11.390 -29.096 278 H ASP 48 H ASP 48 41.409 9.343 -28.821 279 HA ASP 48 HA ASP 48 39.573 8.660 -31.010 280 HB3 ASP 48 HB2 ASP 48 41.500 6.651 -29.855 281 H ASN 49 H ASN 49 39.236 9.546 -28.195 282 HA ASN 49 HA ASN 49 37.851 9.111 -26.444 283 HB3 ASN 49 HB2 ASN 49 36.519 6.726 -27.251 284 HD21 ASN 49 HD21 ASN 49 34.759 8.573 -28.980 285 HD22 ASN 49 HD22 ASN 49 33.858 9.463 -27.805 286 H LYS 50 H LYS 50 39.059 8.493 -24.758 287 HA LYS 50 HA LYS 50 39.568 5.616 -24.435 288 HB3 LYS 50 HB2 LYS 50 41.709 6.395 -25.020 289 HG3 LYS 50 HG2 LYS 50 40.852 8.887 -23.840 290 HD3 LYS 50 HD2 LYS 50 43.431 7.672 -22.925 291 HE3 LYS 50 HE2 LYS 50 43.651 10.336 -22.302 292 HZ1 LYS 50 HZ1 LYS 50 44.883 9.165 -24.724 293 HZ2 LYS 50 HZ2 LYS 50 45.357 8.708 -23.166 294 HZ3 LYS 50 HZ3 LYS 50 45.536 10.314 -23.666 295 H GLY 51 H GLY 51 38.045 5.212 -22.909 296 HA2 GLY 51 HA2 GLY 51 38.449 6.505 -20.309 297 HA3 GLY 51 HA3 GLY 51 36.837 6.551 -21.009 298 H VAL 52 H VAL 52 38.541 3.739 -21.818 299 HA VAL 52 HA VAL 52 36.723 2.039 -20.499 300 HB VAL 52 HB VAL 52 39.463 1.321 -21.549 301 HG11 VAL 52 HG11 VAL 52 38.538 -0.927 -21.779 302 HG12 VAL 52 HG12 VAL 52 38.486 -0.385 -20.100 303 HG13 VAL 52 HG13 VAL 52 37.017 -0.378 -21.077 304 HG21 VAL 52 HG21 VAL 52 38.419 0.824 -23.647 305 HG22 VAL 52 HG22 VAL 52 36.820 1.187 -22.994 306 HG23 VAL 52 HG23 VAL 52 38.001 2.479 -23.206 307 H PHE 53 H PHE 53 39.690 3.496 -19.486 308 HA PHE 53 HA PHE 53 40.195 1.663 -17.331 309 HB3 PHE 53 HB2 PHE 53 41.615 3.938 -16.722 310 HD1 PHE 53 HD1 PHE 53 42.003 1.749 -19.719 311 HD2 PHE 53 HD2 PHE 53 43.405 2.806 -15.841 312 HE1 PHE 53 HE1 PHE 53 43.850 0.138 -19.951 313 HE2 PHE 53 HE2 PHE 53 45.252 1.198 -16.068 314 HZ PHE 53 HZ PHE 53 45.478 -0.138 -18.125 315 H GLN 54 H GLN 54 38.448 4.641 -17.772 316 HA GLN 54 HA GLN 54 38.255 5.520 -15.133 317 HB3 GLN 54 HB2 GLN 54 35.788 6.111 -16.277 318 HG3 GLN 54 HG2 GLN 54 37.661 8.038 -17.183 319 HE21 GLN 54 HE21 GLN 54 36.985 8.113 -13.833 320 HE22 GLN 54 HE22 GLN 54 35.603 9.147 -13.902 321 H GLY 55 H GLY 55 36.721 2.861 -16.744 322 HA2 GLY 55 HA2 GLY 55 34.447 2.455 -15.221 323 HA3 GLY 55 HA3 GLY 55 35.401 1.165 -15.937 324 H VAL 56 H VAL 56 37.781 1.949 -14.336 325 HA VAL 56 HA VAL 56 37.458 0.180 -12.197 326 HB VAL 56 HB VAL 56 39.649 0.862 -13.176 327 HG11 VAL 56 HG11 VAL 56 40.438 2.951 -13.094 328 HG12 VAL 56 HG12 VAL 56 38.789 3.423 -12.677 329 HG13 VAL 56 HG13 VAL 56 39.979 3.152 -11.403 330 HG21 VAL 56 HG21 VAL 56 39.959 1.450 -10.300 331 HG22 VAL 56 HG22 VAL 56 39.106 -0.040 -10.701 332 HG23 VAL 56 HG23 VAL 56 40.743 0.227 -11.299 333 H HIS 57 H HIS 57 36.678 3.531 -12.488 334 HA HIS 57 HA HIS 57 36.696 4.203 -9.731 335 HB3 HIS 57 HB2 HIS 57 35.205 5.425 -12.062 336 HD1 HIS 57 HD1 HIS 57 36.651 6.958 -8.911 337 HD2 HIS 57 HD2 HIS 57 33.032 6.618 -10.924 338 HE1 HIS 57 HE1 HIS 57 35.048 8.445 -7.669 339 H ASP 58 H ASP 58 34.443 2.554 -11.779 340 HA ASP 58 HA ASP 58 32.055 2.932 -10.404 341 HB3 ASP 58 HB2 ASP 58 33.039 0.484 -11.881 342 H SER 59 H SER 59 34.849 1.082 -9.558 343 HA SER 59 HA SER 59 33.531 -0.582 -7.622 344 HB3 SER 59 HB2 SER 59 36.285 -0.201 -8.614 345 HG SER 59 HG SER 59 37.147 -0.193 -6.703 346 H ALA 60 H ALA 60 35.003 2.556 -7.648 347 HA ALA 60 HA ALA 60 35.558 2.839 -4.904 348 HB1 ALA 60 HB1 ALA 60 34.678 5.223 -6.428 349 HB2 ALA 60 HB2 ALA 60 36.083 4.996 -5.386 350 HB3 ALA 60 HB3 ALA 60 36.090 4.351 -7.027 351 H GLU 61 H GLU 61 32.598 2.948 -6.696 352 HA GLU 61 HA GLU 61 30.968 4.515 -5.113 353 HB3 GLU 61 HB2 GLU 61 29.141 2.820 -5.824 354 HG3 GLU 61 HG2 GLU 61 29.110 3.570 -8.114 355 H LYS 62 H LYS 62 30.950 0.958 -4.911 356 HA LYS 62 HA LYS 62 30.497 1.225 -2.011 357 HB3 LYS 62 HB2 LYS 62 29.680 -1.339 -2.786 358 HG3 LYS 62 HG2 LYS 62 27.426 0.405 -2.763 359 HD3 LYS 62 HD2 LYS 62 28.011 -2.000 -1.762 360 HE3 LYS 62 HE2 LYS 62 27.738 -0.822 0.851 361 HZ1 LYS 62 HZ1 LYS 62 29.897 -2.228 1.066 362 HZ2 LYS 62 HZ2 LYS 62 29.459 -2.809 -0.461 363 HZ3 LYS 62 HZ3 LYS 62 28.407 -2.998 0.851 364 H GLY 63 H GLY 63 31.180 -0.778 -0.766 365 HA2 GLY 63 HA2 GLY 63 32.860 -2.749 -1.426 366 HA3 GLY 63 HA3 GLY 63 33.934 -1.360 -1.493 367 H LYS 64 H LYS 64 32.191 -0.165 0.733 368 HA LYS 64 HA LYS 64 33.490 -1.638 2.931 369 HB3 LYS 64 HB2 LYS 64 32.605 1.124 3.450 370 HG3 LYS 64 HG2 LYS 64 35.075 -0.484 3.983 371 HD3 LYS 64 HD2 LYS 64 35.196 2.026 5.297 372 HE3 LYS 64 HE2 LYS 64 37.076 0.510 4.729 373 HZ1 LYS 64 HZ1 LYS 64 36.109 0.761 2.148 374 HZ2 LYS 64 HZ2 LYS 64 37.500 -0.061 2.645 375 HZ3 LYS 64 HZ3 LYS 64 37.602 1.555 2.156 376 H ASP 65 H ASP 65 32.356 -1.368 5.072 377 HA ASP 65 HA ASP 65 29.623 -0.711 5.223 378 HB3 ASP 65 HB2 ASP 65 30.034 -3.691 5.275 379 H ASN 66 H ASN 66 28.904 -0.701 7.319 380 HA ASN 66 HA ASN 66 30.636 -1.947 9.343 381 HB3 ASN 66 HB2 ASN 66 30.609 0.025 10.703 382 HD21 ASN 66 HD21 ASN 66 30.449 2.469 8.747 383 HD22 ASN 66 HD22 ASN 66 31.999 2.425 7.985 384 H ALA 67 H ALA 67 29.344 -1.266 11.612 385 HA ALA 67 HA ALA 67 26.650 -2.398 11.225 386 HB1 ALA 67 HB1 ALA 67 28.822 -3.145 12.995 387 HB2 ALA 67 HB2 ALA 67 27.318 -2.857 13.870 388 HB3 ALA 67 HB3 ALA 67 27.363 -4.033 12.558 389 H GLU 68 H GLU 68 28.240 -0.834 13.994 390 HA GLU 68 HA GLU 68 26.721 1.564 13.816 391 HB3 GLU 68 HB2 GLU 68 24.992 -0.124 14.567 392 HG3 GLU 68 HG2 GLU 68 25.935 0.075 17.338 393 H GLY 69 H GLY 69 29.460 0.598 14.268 394 HA2 GLY 69 HA2 GLY 69 31.287 1.070 15.580 395 HA3 GLY 69 HA3 GLY 69 30.388 2.509 16.036 396 H GLN 70 H GLN 70 31.758 1.995 18.028 397 HA GLN 70 HA GLN 70 30.077 1.169 20.100 398 HB3 GLN 70 HB2 GLN 70 32.214 -0.837 20.099 399 HG3 GLN 70 HG2 GLN 70 29.888 -2.205 20.276 400 HE21 GLN 70 HE21 GLN 70 30.027 -0.007 22.880 401 HE22 GLN 70 HE22 GLN 70 30.999 -0.965 23.940 402 H GLY 71 H GLY 71 30.746 2.472 21.665 403 HA2 GLY 71 HA2 GLY 71 32.845 2.482 23.231 404 HA3 GLY 71 HA3 GLY 71 33.584 3.193 21.805 405 H GLU 72 H GLU 72 33.962 4.915 23.494 406 HA GLU 72 HA GLU 72 31.973 6.472 24.618 407 HB3 GLU 72 HB2 GLU 72 33.650 8.327 24.571 408 HG3 GLU 72 HG2 GLU 72 34.013 5.749 25.781 409 H SER 73 H SER 73 30.239 7.152 23.517 410 HA SER 73 HA SER 73 30.377 9.292 21.726 411 HB3 SER 73 HB2 SER 73 30.942 8.197 19.826 412 HG SER 73 HG SER 73 31.500 6.208 20.141 413 H LEU 74 H LEU 74 28.712 10.171 22.849 414 HA LEU 74 HA LEU 74 26.441 8.903 23.803 415 HB3 LEU 74 HB2 LEU 74 26.797 11.744 22.865 416 HG LEU 74 HG LEU 74 24.389 11.280 23.083 417 HD11 LEU 74 HD11 LEU 74 24.956 10.673 25.975 418 HD12 LEU 74 HD12 LEU 74 24.685 9.431 24.753 419 HD13 LEU 74 HD13 LEU 74 23.409 10.587 25.132 420 HD21 LEU 74 HD21 LEU 74 24.833 13.485 23.563 421 HD22 LEU 74 HD22 LEU 74 25.808 13.095 24.982 422 HD23 LEU 74 HD23 LEU 74 24.050 12.961 25.054 423 H ALA 75 H ALA 75 27.210 9.951 20.586 424 HA ALA 75 HA ALA 75 24.725 10.192 19.409 425 HB1 ALA 75 HB1 ALA 75 26.223 8.891 17.487 426 HB2 ALA 75 HB2 ALA 75 26.153 10.633 17.757 427 HB3 ALA 75 HB3 ALA 75 27.431 9.674 18.505 428 H ASP 76 H ASP 76 26.396 7.313 20.448 429 HA ASP 76 HA ASP 76 24.715 5.477 19.032 430 HB3 ASP 76 HB2 ASP 76 25.974 4.349 21.387 431 H GLN 77 H GLN 77 24.724 6.927 22.229 432 HA GLN 77 HA GLN 77 22.641 5.257 23.267 433 HB3 GLN 77 HB2 GLN 77 22.662 7.546 24.822 434 HG3 GLN 77 HG2 GLN 77 24.616 6.132 26.016 435 HE21 GLN 77 HE21 GLN 77 23.762 6.317 27.949 436 HE22 GLN 77 HE22 GLN 77 22.154 5.878 28.403 437 H ALA 78 H ALA 78 22.795 8.246 21.504 438 HA ALA 78 HA ALA 78 20.148 9.130 22.097 439 HB1 ALA 78 HB1 ALA 78 20.962 10.185 19.607 440 HB2 ALA 78 HB2 ALA 78 20.964 10.978 21.182 441 HB3 ALA 78 HB3 ALA 78 22.393 10.103 20.634 442 H ARG 79 H ARG 79 21.612 7.448 19.325 443 HA ARG 79 HA ARG 79 19.334 7.270 17.728 444 HB3 ARG 79 HB2 ARG 79 20.623 4.975 17.095 445 HG3 ARG 79 HG2 ARG 79 22.316 6.747 15.919 446 HD3 ARG 79 HD2 ARG 79 19.563 6.621 14.826 447 HE ARG 79 HE ARG 79 21.767 5.586 13.313 448 HH11 ARG 79 HH11 ARG 79 20.124 8.482 14.327 449 HH12 ARG 79 HH12 ARG 79 20.679 9.424 12.984 450 HH21 ARG 79 HH21 ARG 79 22.505 6.816 11.539 451 HH22 ARG 79 HH22 ARG 79 22.032 8.475 11.399 452 H ASP 80 H ASP 80 20.240 5.505 20.570 453 HA ASP 80 HA ASP 80 18.425 3.321 20.166 454 HB3 ASP 80 HB2 ASP 80 19.118 3.768 22.942 455 H TYR 81 H TYR 81 18.393 6.303 22.081 456 HA TYR 81 HA TYR 81 15.842 5.809 23.251 457 HB3 TYR 81 HB2 TYR 81 17.336 8.420 22.934 458 HD1 TYR 81 HD2 TYR 81 14.686 6.574 24.783 459 HD2 TYR 81 HD1 TYR 81 16.448 10.347 23.911 460 HE1 TYR 81 HE2 TYR 81 12.843 7.700 25.960 461 HE2 TYR 81 HE1 TYR 81 14.610 11.484 25.087 462 HH TYR 81 HH TYR 81 12.027 10.742 25.616 463 H MET 82 H MET 82 16.965 7.687 20.472 464 HA MET 82 HA MET 82 14.508 8.893 19.830 465 HB3 MET 82 HB2 MET 82 15.674 8.740 17.414 466 HG3 MET 82 HG2 MET 82 17.185 10.679 18.176 467 HE1 MET 82 HE1 MET 82 15.109 12.180 20.249 468 HE2 MET 82 HE2 MET 82 15.393 13.433 19.039 469 HE3 MET 82 HE3 MET 82 13.748 12.906 19.397 470 H GLY 83 H GLY 83 16.061 6.010 18.401 471 HA2 GLY 83 HA2 GLY 83 13.992 5.281 16.690 472 HA3 GLY 83 HA3 GLY 83 15.157 4.163 17.383 473 H ALA 84 H ALA 84 14.315 4.775 20.136 474 HA ALA 84 HA ALA 84 12.284 2.796 20.366 475 HB1 ALA 84 HB1 ALA 84 14.115 3.289 22.040 476 HB2 ALA 84 HB2 ALA 84 13.152 4.678 22.546 477 HB3 ALA 84 HB3 ALA 84 12.498 3.047 22.704 478 H ALA 85 H ALA 85 12.319 6.316 20.576 479 HA ALA 85 HA ALA 85 9.666 6.626 21.509 480 HB1 ALA 85 HB1 ALA 85 10.567 8.824 19.856 481 HB2 ALA 85 HB2 ALA 85 10.214 8.781 21.584 482 HB3 ALA 85 HB3 ALA 85 11.810 8.308 20.997 483 H LYS 86 H LYS 86 11.056 6.213 18.327 484 HA LYS 86 HA LYS 86 8.847 7.057 16.797 485 HB3 LYS 86 HB2 LYS 86 9.912 6.029 14.943 486 HG3 LYS 86 HG2 LYS 86 12.352 6.422 16.597 487 HD3 LYS 86 HD2 LYS 86 11.548 6.601 13.819 488 HE3 LYS 86 HE2 LYS 86 12.498 9.045 15.167 489 HZ1 LYS 86 HZ1 LYS 86 13.482 8.678 12.440 490 HZ2 LYS 86 HZ2 LYS 86 14.382 7.975 13.689 491 HZ3 LYS 86 HZ3 LYS 86 14.092 9.642 13.689 492 H SER 87 H SER 87 9.875 3.763 17.702 493 HA SER 87 HA SER 87 7.645 2.438 16.643 494 HB3 SER 87 HB2 SER 87 8.980 1.364 19.092 495 HG SER 87 HG SER 87 9.084 -0.445 17.453 496 H LYS 88 H LYS 88 8.268 3.660 19.914 497 HA LYS 88 HA LYS 88 5.879 2.741 21.080 498 HB3 LYS 88 HB2 LYS 88 6.330 4.650 22.736 499 HG3 LYS 88 HG2 LYS 88 8.394 3.631 23.642 500 HD3 LYS 88 HD2 LYS 88 7.278 1.137 23.265 501 HE3 LYS 88 HE2 LYS 88 7.747 2.522 25.376 502 HZ1 LYS 88 HZ1 LYS 88 5.399 3.805 24.452 503 HZ2 LYS 88 HZ2 LYS 88 6.386 4.208 25.764 504 HZ3 LYS 88 HZ3 LYS 88 5.115 3.110 25.968 505 H LEU 89 H LEU 89 6.718 5.941 19.758 506 HA LEU 89 HA LEU 89 4.322 7.239 20.195 507 HB3 LEU 89 HB2 LEU 89 6.165 7.501 17.823 508 HG LEU 89 HG LEU 89 4.247 8.773 17.237 509 HD11 LEU 89 HD11 LEU 89 3.772 10.660 19.155 510 HD12 LEU 89 HD12 LEU 89 4.088 9.219 20.119 511 HD13 LEU 89 HD13 LEU 89 2.815 9.202 18.899 512 HD21 LEU 89 HD21 LEU 89 5.515 11.113 18.295 513 HD22 LEU 89 HD22 LEU 89 5.508 10.499 16.643 514 HD23 LEU 89 HD23 LEU 89 6.738 9.951 17.782 515 H ASN 90 H ASN 90 5.275 5.469 17.249 516 HA ASN 90 HA ASN 90 2.852 5.730 15.890 517 HB3 ASN 90 HB2 ASN 90 4.071 3.174 15.332 518 HD21 ASN 90 HD21 ASN 90 3.364 2.883 13.359 519 HD22 ASN 90 HD22 ASN 90 3.241 4.088 12.126 520 H ASP 91 H ASP 91 3.787 3.615 18.480 521 HA ASP 91 HA ASP 91 1.704 1.701 18.147 522 HB3 ASP 91 HB2 ASP 91 2.718 2.089 20.879 523 H ALA 92 H ALA 92 2.022 4.723 19.904 524 HA ALA 92 HA ALA 92 -0.500 4.410 21.275 525 HB1 ALA 92 HB1 ALA 92 0.410 7.114 21.302 526 HB2 ALA 92 HB2 ALA 92 0.363 5.946 22.622 527 HB3 ALA 92 HB3 ALA 92 1.781 6.042 21.579 528 H VAL 93 H VAL 93 0.753 6.378 18.599 529 HA VAL 93 HA VAL 93 -1.494 7.916 18.077 530 HB VAL 93 HB VAL 93 0.337 6.787 15.961 531 HG11 VAL 93 HG11 VAL 93 -1.145 9.409 16.044 532 HG12 VAL 93 HG12 VAL 93 -0.225 8.742 14.694 533 HG13 VAL 93 HG13 VAL 93 -1.724 7.967 15.209 534 HG21 VAL 93 HG21 VAL 93 1.142 9.383 16.685 535 HG22 VAL 93 HG22 VAL 93 0.959 8.477 18.187 536 HG23 VAL 93 HG23 VAL 93 2.023 7.873 16.918 537 H GLU 94 H GLU 94 -0.601 4.834 16.515 538 HA GLU 94 HA GLU 94 -2.816 4.486 14.923 539 HB3 GLU 94 HB2 GLU 94 -2.147 1.947 16.054 540 HG3 GLU 94 HG2 GLU 94 -0.658 2.356 13.702 541 H TYR 95 H TYR 95 -2.483 3.884 18.368 542 HA TYR 95 HA TYR 95 -5.034 2.599 18.634 543 HB3 TYR 95 HB2 TYR 95 -3.316 3.846 20.790 544 HD1 TYR 95 HD1 TYR 95 -5.502 4.461 21.917 545 HD2 TYR 95 HD2 TYR 95 -4.422 0.440 21.038 546 HE1 TYR 95 HE1 TYR 95 -7.157 3.664 23.553 547 HE2 TYR 95 HE2 TYR 95 -6.074 -0.367 22.671 548 HH TYR 95 HH TYR 95 -7.327 0.334 24.522 549 H VAL 96 H VAL 96 -3.770 5.854 19.178 550 HA VAL 96 HA VAL 96 -6.111 6.935 20.338 551 HB VAL 96 HB VAL 96 -3.980 8.393 18.766 552 HG11 VAL 96 HG11 VAL 96 -5.838 9.446 20.891 553 HG12 VAL 96 HG12 VAL 96 -4.700 10.369 19.908 554 HG13 VAL 96 HG13 VAL 96 -6.114 9.625 19.159 555 HG21 VAL 96 HG21 VAL 96 -3.869 7.051 21.299 556 HG22 VAL 96 HG22 VAL 96 -2.589 7.894 20.428 557 HG23 VAL 96 HG23 VAL 96 -3.643 8.786 21.525 558 H SER 97 H SER 97 -4.856 7.102 17.006 559 HA SER 97 HA SER 97 -6.913 8.572 15.869 560 HB3 SER 97 HB2 SER 97 -5.914 6.433 14.129 561 HG SER 97 HG SER 97 -5.287 9.169 13.957 562 H GLY 98 H GLY 98 -6.737 5.132 16.582 563 HA2 GLY 98 HA2 GLY 98 -9.162 4.476 15.194 564 HA3 GLY 98 HA3 GLY 98 -8.280 3.434 16.299 565 H ARG 99 H ARG 99 -8.407 5.684 18.339 566 HA ARG 99 HA ARG 99 -10.913 4.835 19.510 567 HB3 ARG 99 HB2 ARG 99 -10.015 6.530 21.338 568 HG3 ARG 99 HG2 ARG 99 -8.186 4.594 21.831 569 HD3 ARG 99 HD2 ARG 99 -9.886 5.074 23.396 570 HE ARG 99 HE ARG 99 -11.760 4.630 21.252 571 HH11 ARG 99 HH11 ARG 99 -11.321 4.862 24.698 572 HH12 ARG 99 HH12 ARG 99 -12.976 5.266 25.014 573 HH21 ARG 99 HH21 ARG 99 -13.941 5.164 21.655 574 HH22 ARG 99 HH22 ARG 99 -14.465 5.437 23.282 575 H VAL 100 H VAL 100 -9.488 7.783 18.212 576 HA VAL 100 HA VAL 100 -11.324 9.676 19.018 577 HB VAL 100 HB VAL 100 -9.944 9.499 16.336 578 HG11 VAL 100 HG11 VAL 100 -11.822 11.040 16.249 579 HG12 VAL 100 HG12 VAL 100 -11.243 11.853 17.704 580 HG13 VAL 100 HG13 VAL 100 -10.298 11.926 16.217 581 HG21 VAL 100 HG21 VAL 100 -9.056 11.304 18.523 582 HG22 VAL 100 HG22 VAL 100 -8.671 9.589 18.654 583 HG23 VAL 100 HG23 VAL 100 -8.115 10.513 17.258 584 H HIS 101 H HIS 101 -11.494 7.541 16.184 585 HA HIS 101 HA HIS 101 -13.917 8.539 15.162 586 HB3 HIS 101 HB2 HIS 101 -13.599 5.706 14.656 587 HD1 HIS 101 HD1 HIS 101 -12.775 9.074 13.070 588 HD2 HIS 101 HD2 HIS 101 -14.707 5.499 12.206 589 HE1 HIS 101 HE1 HIS 101 -13.733 9.367 10.763 590 H GLY 102 H GLY 102 -15.663 6.478 14.860 591 HA2 GLY 102 HA2 GLY 102 -17.147 6.562 17.248 592 HA3 GLY 102 HA3 GLY 102 -17.471 5.502 15.884 593 H GLU 103 H GLU 103 -14.576 4.506 16.303 594 HA GLU 103 HA GLU 103 -13.563 2.734 17.307 595 HB3 GLU 103 HB2 GLU 103 -15.281 3.399 19.701 596 HG3 GLU 103 HG2 GLU 103 -14.168 1.379 20.152 597 H GLU 104 H GLU 104 -14.219 0.963 16.226 598 HA GLU 104 HA GLU 104 -15.303 -0.987 15.782 599 HB3 GLU 104 HB2 GLU 104 -16.391 -2.147 17.575 600 HG3 GLU 104 HG2 GLU 104 -14.681 -0.795 19.450 601 H ASP 105 H ASP 105 -16.541 -0.267 14.078 602 HA ASP 105 HA ASP 105 -19.356 -0.345 14.419 603 HB3 ASP 105 HB2 ASP 105 -18.368 2.331 13.458 604 HA PRO 106 HA PRO 106 -17.605 -1.412 10.243 605 HB3 PRO 106 HB2 PRO 106 -17.159 -3.573 10.884 606 HG3 PRO 106 HG2 PRO 106 -18.277 -4.548 12.675 607 HD3 PRO 106 HD2 PRO 106 -17.610 -2.571 13.653 608 H THR 107 H THR 107 -18.754 -0.373 8.740 609 HA THR 107 HA THR 107 -21.621 -1.010 8.487 610 HB THR 107 HB THR 107 -20.710 1.625 7.488 611 HG1 THR 107 HG1 THR 107 -19.706 1.642 9.503 612 HG21 THR 107 HG21 THR 107 -22.967 2.020 8.941 613 HG22 THR 107 HG22 THR 107 -23.159 0.329 8.480 614 HG23 THR 107 HG23 THR 107 -22.951 1.563 7.239 615 H LYS 108 H LYS 108 -18.624 -0.136 6.859 616 HA LYS 108 HA LYS 108 -19.769 -1.171 4.347 617 HB3 LYS 108 HB2 LYS 108 -17.515 0.795 4.328 618 HG3 LYS 108 HG2 LYS 108 -19.437 -0.272 2.411 619 HD3 LYS 108 HD2 LYS 108 -19.142 2.664 2.810 620 HE3 LYS 108 HE2 LYS 108 -19.953 2.619 0.255 621 HZ1 LYS 108 HZ1 LYS 108 -17.057 2.580 0.866 622 HZ2 LYS 108 HZ2 LYS 108 -18.051 3.870 1.325 623 HZ3 LYS 108 HZ3 LYS 108 -17.868 3.484 -0.312 624 H LYS 109 H LYS 109 -17.971 -1.858 2.789 625 HA LYS 109 HA LYS 109 -16.404 -3.855 4.097 626 HB3 LYS 109 HB2 LYS 109 -15.897 -3.119 1.253 627 HG3 LYS 109 HG2 LYS 109 -16.393 -5.677 1.107 628 HD3 LYS 109 HD2 LYS 109 -13.878 -5.293 2.575 629 HE3 LYS 109 HE2 LYS 109 -14.102 -5.890 -0.334 630 HZ1 LYS 109 HZ1 LYS 109 -12.023 -6.489 0.065 631 HZ2 LYS 109 HZ2 LYS 109 -12.584 -7.740 1.054 632 HZ3 LYS 109 HZ3 LYS 109 -12.200 -6.237 1.727 Start of MODEL 8 1 H1 MET 1 H MET 1 73.816 -18.804 67.625 2 HA MET 1 HA MET 1 75.800 -17.170 66.989 3 HB3 MET 1 HB2 MET 1 77.353 -18.442 65.486 4 HG3 MET 1 HG2 MET 1 77.411 -18.331 68.302 5 HE1 MET 1 HE1 MET 1 77.831 -21.288 70.359 6 HE2 MET 1 HE2 MET 1 78.884 -19.877 70.264 7 HE3 MET 1 HE3 MET 1 77.142 -19.690 70.067 8 H SER 2 H SER 2 74.831 -16.021 65.465 9 HA SER 2 HA SER 2 73.993 -17.238 62.987 10 HB3 SER 2 HB2 SER 2 71.995 -17.641 64.311 11 HG SER 2 HG SER 2 70.934 -15.450 64.914 12 H ASP 3 H ASP 3 72.634 -15.324 61.769 13 HA ASP 3 HA ASP 3 74.056 -12.796 62.220 14 HB3 ASP 3 HB2 ASP 3 75.273 -14.025 60.468 15 H ALA 4 H ALA 4 73.096 -11.280 60.220 16 HA ALA 4 HA ALA 4 70.216 -11.604 60.033 17 HB1 ALA 4 HB1 ALA 4 71.294 -9.072 61.243 18 HB2 ALA 4 HB2 ALA 4 69.615 -9.601 61.122 19 HB3 ALA 4 HB3 ALA 4 70.724 -10.427 62.217 20 H GLY 5 H GLY 5 69.483 -9.150 59.122 21 HA2 GLY 5 HA2 GLY 5 70.732 -7.525 57.514 22 HA3 GLY 5 HA3 GLY 5 70.982 -9.005 56.602 23 H ARG 6 H ARG 6 69.724 -8.850 54.857 24 HA ARG 6 HA ARG 6 67.308 -7.423 54.713 25 HB3 ARG 6 HB2 ARG 6 66.963 -8.782 52.591 26 HG3 ARG 6 HG2 ARG 6 68.498 -6.637 52.925 27 HD3 ARG 6 HD2 ARG 6 70.356 -8.856 52.109 28 HE ARG 6 HE ARG 6 71.358 -6.162 51.932 29 HH11 ARG 6 HH11 ARG 6 69.908 -8.816 50.208 30 HH12 ARG 6 HH12 ARG 6 70.494 -8.301 48.660 31 HH21 ARG 6 HH21 ARG 6 72.135 -5.474 49.900 32 HH22 ARG 6 HH22 ARG 6 71.760 -6.400 48.486 33 H LYS 7 H LYS 7 65.334 -8.820 53.675 34 HA LYS 7 HA LYS 7 64.627 -10.755 55.778 35 HB3 LYS 7 HB2 LYS 7 63.221 -8.770 55.800 36 HG3 LYS 7 HG2 LYS 7 61.851 -9.331 53.278 37 HD3 LYS 7 HD2 LYS 7 62.760 -6.639 53.635 38 HE3 LYS 7 HE2 LYS 7 60.235 -8.142 53.420 39 HZ1 LYS 7 HZ1 LYS 7 59.690 -6.883 55.355 40 HZ2 LYS 7 HZ2 LYS 7 58.950 -6.135 54.032 41 HZ3 LYS 7 HZ3 LYS 7 60.353 -5.470 54.706 42 H GLY 8 H GLY 8 63.560 -12.675 55.223 43 HA2 GLY 8 HA2 GLY 8 64.409 -13.929 52.864 44 HA3 GLY 8 HA3 GLY 8 63.158 -14.533 53.940 45 H PHE 9 H PHE 9 61.725 -11.863 53.426 46 HA PHE 9 HA PHE 9 60.209 -12.845 51.158 47 HB3 PHE 9 HB2 PHE 9 59.311 -10.284 52.137 48 HD1 PHE 9 HD1 PHE 9 58.786 -13.947 52.615 49 HD2 PHE 9 HD2 PHE 9 57.073 -10.171 51.654 50 HE1 PHE 9 HE1 PHE 9 56.622 -15.040 52.189 51 HE2 PHE 9 HE2 PHE 9 54.908 -11.257 51.228 52 HZ PHE 9 HZ PHE 9 54.680 -13.695 51.497 53 H GLY 10 H GLY 10 62.584 -10.438 51.837 54 HA2 GLY 10 HA2 GLY 10 62.035 -8.579 49.804 55 HA3 GLY 10 HA3 GLY 10 63.613 -8.864 50.522 56 H GLU 11 H GLU 11 64.385 -11.264 49.770 57 HA GLU 11 HA GLU 11 65.234 -10.990 47.150 58 HB3 GLU 11 HB2 GLU 11 66.042 -13.233 47.289 59 HG3 GLU 11 HG2 GLU 11 66.004 -12.505 50.185 60 H LYS 12 H LYS 12 62.503 -12.874 48.406 61 HA LYS 12 HA LYS 12 61.712 -13.943 45.909 62 HB3 LYS 12 HB2 LYS 12 59.697 -14.634 47.021 63 HG3 LYS 12 HG2 LYS 12 60.472 -15.735 49.008 64 HD3 LYS 12 HD2 LYS 12 61.786 -15.863 46.527 65 HE3 LYS 12 HE2 LYS 12 63.647 -15.639 48.838 66 HZ1 LYS 12 HZ1 LYS 12 65.143 -16.941 47.041 67 HZ2 LYS 12 HZ2 LYS 12 63.685 -17.786 46.902 68 HZ3 LYS 12 HZ3 LYS 12 64.454 -17.668 48.404 69 H ALA 13 H ALA 13 60.634 -11.111 47.752 70 HA ALA 13 HA ALA 13 58.531 -10.278 46.164 71 HB1 ALA 13 HB1 ALA 13 58.595 -8.912 47.944 72 HB2 ALA 13 HB2 ALA 13 60.352 -9.000 48.077 73 HB3 ALA 13 HB3 ALA 13 59.609 -7.901 46.914 74 H SER 14 H SER 14 61.955 -9.328 45.869 75 HA SER 14 HA SER 14 61.636 -7.748 43.571 76 HB3 SER 14 HB2 SER 14 64.206 -8.615 43.342 77 HG SER 14 HG SER 14 64.108 -6.531 43.713 78 H GLU 15 H GLU 15 61.910 -11.182 44.008 79 HA GLU 15 HA GLU 15 62.543 -11.755 41.264 80 HB3 GLU 15 HB2 GLU 15 61.893 -14.131 42.007 81 HG3 GLU 15 HG2 GLU 15 63.923 -13.576 43.936 82 H ALA 16 H ALA 16 59.646 -11.563 43.227 83 HA ALA 16 HA ALA 16 57.865 -12.806 41.429 84 HB1 ALA 16 HB1 ALA 16 57.245 -10.661 43.457 85 HB2 ALA 16 HB2 ALA 16 56.099 -11.786 42.728 86 HB3 ALA 16 HB3 ALA 16 57.359 -12.386 43.806 87 H LEU 17 H LEU 17 58.428 -9.335 42.043 88 HA LEU 17 HA LEU 17 56.790 -8.336 40.034 89 HB3 LEU 17 HB2 LEU 17 57.780 -6.970 41.805 90 HG LEU 17 HG LEU 17 60.203 -7.973 41.366 91 HD11 LEU 17 HD11 LEU 17 60.733 -5.358 40.134 92 HD12 LEU 17 HD12 LEU 17 59.962 -6.546 39.085 93 HD13 LEU 17 HD13 LEU 17 61.500 -6.924 39.861 94 HD21 LEU 17 HD21 LEU 17 59.659 -5.138 42.241 95 HD22 LEU 17 HD22 LEU 17 61.108 -6.074 42.610 96 HD23 LEU 17 HD23 LEU 17 59.543 -6.576 43.256 97 H LYS 18 H LYS 18 60.171 -9.352 39.898 98 HA LYS 18 HA LYS 18 60.525 -8.570 37.165 99 HB3 LYS 18 HB2 LYS 18 62.472 -10.475 37.741 100 HG3 LYS 18 HG2 LYS 18 63.231 -7.858 38.710 101 HD3 LYS 18 HD2 LYS 18 64.560 -8.098 36.445 102 HE3 LYS 18 HE2 LYS 18 65.739 -10.147 37.918 103 HZ1 LYS 18 HZ1 LYS 18 66.623 -7.923 37.034 104 HZ2 LYS 18 HZ2 LYS 18 67.314 -8.558 38.441 105 HZ3 LYS 18 HZ3 LYS 18 66.186 -7.301 38.545 106 HA PRO 19 HA PRO 19 59.034 -12.084 35.002 107 HB3 PRO 19 HB2 PRO 19 59.736 -11.072 33.064 108 HG3 PRO 19 HG2 PRO 19 61.730 -9.876 32.989 109 HD3 PRO 19 HD2 PRO 19 60.771 -8.933 34.858 110 H ASP 20 H ASP 20 60.107 -14.173 33.806 111 HA ASP 20 HA ASP 20 62.320 -15.423 34.961 112 HB3 ASP 20 HB2 ASP 20 60.008 -16.836 36.112 113 H SER 21 H SER 21 61.022 -15.151 32.430 114 HA SER 21 HA SER 21 61.182 -17.856 31.538 115 HB3 SER 21 HB2 SER 21 58.793 -17.576 32.501 116 HG SER 21 HG SER 21 58.335 -16.381 29.982 117 H GLN 22 H GLN 22 60.874 -18.026 29.171 118 HA GLN 22 HA GLN 22 61.419 -15.449 27.850 119 HB3 GLN 22 HB2 GLN 22 62.611 -17.034 26.141 120 HG3 GLN 22 HG2 GLN 22 64.240 -16.998 28.579 121 HE21 GLN 22 HE21 GLN 22 63.994 -14.741 25.886 122 HE22 GLN 22 HE22 GLN 22 65.474 -15.202 25.126 123 H LYS 23 H LYS 23 59.336 -18.084 28.057 124 HA LYS 23 HA LYS 23 58.376 -17.813 25.309 125 HB3 LYS 23 HB2 LYS 23 56.774 -19.683 26.146 126 HG3 LYS 23 HG2 LYS 23 59.719 -20.300 26.023 127 HD3 LYS 23 HD2 LYS 23 58.297 -22.158 26.805 128 HE3 LYS 23 HE2 LYS 23 56.857 -21.624 24.216 129 HZ1 LYS 23 HZ1 LYS 23 56.418 -23.768 24.023 130 HZ2 LYS 23 HZ2 LYS 23 55.787 -23.812 25.592 131 HZ3 LYS 23 HZ3 LYS 23 57.430 -24.120 25.333 132 H SER 24 H SER 24 58.046 -15.701 27.345 133 HA SER 24 HA SER 24 56.465 -14.152 27.885 134 HB3 SER 24 HB2 SER 24 54.060 -15.149 26.777 135 HG SER 24 HG SER 24 54.396 -13.434 25.340 136 H TYR 25 H TYR 25 56.672 -17.084 29.060 137 HA TYR 25 HA TYR 25 54.274 -17.764 30.268 138 HB3 TYR 25 HB2 TYR 25 56.463 -18.226 32.087 139 HD1 TYR 25 HD2 TYR 25 54.518 -19.417 33.088 140 HD2 TYR 25 HD1 TYR 25 56.124 -20.518 29.305 141 HE1 TYR 25 HE2 TYR 25 53.366 -21.585 33.237 142 HE2 TYR 25 HE1 TYR 25 54.976 -22.689 29.442 143 HH TYR 25 HH TYR 25 52.848 -23.471 32.170 144 H ALA 26 H ALA 26 56.486 -15.202 31.018 145 HA ALA 26 HA ALA 26 55.932 -14.645 33.661 146 HB1 ALA 26 HB1 ALA 26 56.518 -12.808 31.355 147 HB2 ALA 26 HB2 ALA 26 56.365 -12.233 33.018 148 HB3 ALA 26 HB3 ALA 26 57.624 -13.395 32.597 149 H GLU 27 H GLU 27 54.131 -13.570 30.791 150 HA GLU 27 HA GLU 27 52.138 -12.221 32.357 151 HB3 GLU 27 HB2 GLU 27 51.351 -12.879 29.631 152 HG3 GLU 27 HG2 GLU 27 51.759 -10.399 31.233 153 H GLN 28 H GLN 28 52.424 -15.326 30.726 154 HA GLN 28 HA GLN 28 49.788 -16.183 30.838 155 HB3 GLN 28 HB2 GLN 28 50.667 -18.454 30.720 156 HG3 GLN 28 HG2 GLN 28 52.608 -16.765 29.182 157 HE21 GLN 28 HE21 GLN 28 50.247 -19.412 28.983 158 HE22 GLN 28 HE22 GLN 28 51.244 -20.454 28.033 159 H GLY 29 H GLY 29 52.367 -16.695 33.244 160 HA2 GLY 29 HA2 GLY 29 50.799 -18.060 35.126 161 HA3 GLY 29 HA3 GLY 29 52.269 -17.167 35.488 162 H LYS 30 H LYS 30 51.658 -14.603 35.020 163 HA LYS 30 HA LYS 30 50.326 -13.757 37.279 164 HB3 LYS 30 HB2 LYS 30 50.189 -11.542 36.193 165 HG3 LYS 30 HG2 LYS 30 52.725 -13.100 35.886 166 HD3 LYS 30 HD2 LYS 30 52.214 -10.960 34.273 167 HE3 LYS 30 HE2 LYS 30 52.567 -9.867 36.846 168 HZ1 LYS 30 HZ1 LYS 30 54.841 -9.169 35.075 169 HZ2 LYS 30 HZ2 LYS 30 54.979 -10.182 36.421 170 HZ3 LYS 30 HZ3 LYS 30 54.527 -8.565 36.623 171 H GLU 31 H GLU 31 49.023 -13.738 33.956 172 HA GLU 31 HA GLU 31 46.419 -12.976 34.658 173 HB3 GLU 31 HB2 GLU 31 45.782 -13.917 32.433 174 HG3 GLU 31 HG2 GLU 31 48.155 -12.640 31.504 175 H TYR 32 H TYR 32 48.026 -16.049 34.762 176 HA TYR 32 HA TYR 32 45.751 -17.722 34.802 177 HB3 TYR 32 HB2 TYR 32 48.421 -18.235 36.126 178 HD1 TYR 32 HD1 TYR 32 47.484 -19.731 37.799 179 HD2 TYR 32 HD2 TYR 32 46.735 -20.344 33.656 180 HE1 TYR 32 HE1 TYR 32 46.680 -22.004 38.287 181 HE2 TYR 32 HE2 TYR 32 45.929 -22.618 34.132 182 HH TYR 32 HH TYR 32 46.470 -24.359 36.238 183 H ILE 33 H ILE 33 47.642 -16.212 37.394 184 HA ILE 33 HA ILE 33 46.086 -17.336 39.503 185 HB ILE 33 HB ILE 33 47.699 -14.818 39.775 186 HG13 ILE 33 HG12 ILE 33 49.285 -16.110 38.665 187 HG21 ILE 33 HG21 ILE 33 46.312 -15.730 41.660 188 HG22 ILE 33 HG22 ILE 33 47.377 -17.135 41.666 189 HG23 ILE 33 HG23 ILE 33 48.028 -15.534 42.016 190 HD11 ILE 33 HD11 ILE 33 49.857 -15.661 41.196 191 HD12 ILE 33 HD12 ILE 33 49.819 -17.424 41.265 192 HD13 ILE 33 HD13 ILE 33 50.922 -16.608 40.157 193 H THR 34 H THR 34 46.025 -14.296 37.725 194 HA THR 34 HA THR 34 44.175 -12.937 39.356 195 HB THR 34 HB THR 34 45.529 -12.418 36.913 196 HG1 THR 34 HG1 THR 34 44.027 -10.936 38.796 197 HG21 THR 34 HG21 THR 34 43.448 -12.996 35.759 198 HG22 THR 34 HG22 THR 34 43.783 -11.269 35.637 199 HG23 THR 34 HG23 THR 34 42.566 -11.853 36.771 200 H ASP 35 H ASP 35 43.783 -15.242 36.744 201 HA ASP 35 HA ASP 35 40.976 -14.825 36.412 202 HB3 ASP 35 HB2 ASP 35 41.983 -17.469 35.650 203 H LYS 36 H LYS 36 42.958 -16.832 38.459 204 HA LYS 36 HA LYS 36 40.875 -18.607 39.276 205 HB3 LYS 36 HB2 LYS 36 42.462 -19.269 41.060 206 HG3 LYS 36 HG2 LYS 36 44.537 -19.488 39.332 207 HD3 LYS 36 HD2 LYS 36 42.339 -21.274 38.625 208 HE3 LYS 36 HE2 LYS 36 45.127 -21.423 39.634 209 HZ1 LYS 36 HZ1 LYS 36 44.358 -24.013 39.610 210 HZ2 LYS 36 HZ2 LYS 36 43.063 -23.271 40.406 211 HZ3 LYS 36 HZ3 LYS 36 44.636 -23.096 41.004 212 H ALA 37 H ALA 37 42.335 -15.690 40.665 213 HA ALA 37 HA ALA 37 40.967 -15.659 43.096 214 HB1 ALA 37 HB1 ALA 37 42.873 -14.202 42.572 215 HB2 ALA 37 HB2 ALA 37 41.852 -13.281 41.468 216 HB3 ALA 37 HB3 ALA 37 41.496 -13.294 43.195 217 H ASP 38 H ASP 38 39.896 -14.885 39.889 218 HA ASP 38 HA ASP 38 37.559 -13.432 40.743 219 HB3 ASP 38 HB2 ASP 38 37.565 -14.542 38.017 220 H LYS 39 H LYS 39 38.279 -16.680 39.546 221 HA LYS 39 HA LYS 39 35.591 -17.571 39.454 222 HB3 LYS 39 HB2 LYS 39 37.040 -19.858 39.833 223 HG3 LYS 39 HG2 LYS 39 37.521 -19.136 37.151 224 HD3 LYS 39 HD2 LYS 39 34.986 -20.486 37.818 225 HE3 LYS 39 HE2 LYS 39 36.017 -20.548 35.582 226 HZ1 LYS 39 HZ1 LYS 39 37.987 -22.431 35.869 227 HZ2 LYS 39 HZ2 LYS 39 38.325 -21.292 37.073 228 HZ3 LYS 39 HZ3 LYS 39 38.204 -20.803 35.459 229 H VAL 40 H VAL 40 38.157 -17.948 41.883 230 HA VAL 40 HA VAL 40 36.682 -19.480 43.713 231 HB VAL 40 HB VAL 40 39.097 -19.278 43.894 232 HG11 VAL 40 HG11 VAL 40 38.784 -16.652 43.367 233 HG12 VAL 40 HG12 VAL 40 39.037 -16.597 45.113 234 HG13 VAL 40 HG13 VAL 40 40.246 -17.346 44.068 235 HG21 VAL 40 HG21 VAL 40 39.265 -18.851 46.324 236 HG22 VAL 40 HG22 VAL 40 37.632 -18.185 46.294 237 HG23 VAL 40 HG23 VAL 40 37.899 -19.883 45.904 238 H ALA 41 H ALA 41 36.957 -15.998 43.259 239 HA ALA 41 HA ALA 41 35.474 -15.337 45.622 240 HB1 ALA 41 HB1 ALA 41 36.584 -13.815 43.315 241 HB2 ALA 41 HB2 ALA 41 35.353 -13.056 44.327 242 HB3 ALA 41 HB3 ALA 41 36.866 -13.610 45.044 243 H GLY 42 H GLY 42 34.745 -15.550 42.160 244 HA2 GLY 42 HA2 GLY 42 32.062 -14.627 42.397 245 HA3 GLY 42 HA3 GLY 42 32.747 -15.477 41.020 246 H LYS 43 H LYS 43 33.560 -17.797 42.574 247 HA LYS 43 HA LYS 43 31.192 -19.323 42.340 248 HB3 LYS 43 HB2 LYS 43 32.779 -20.934 43.816 249 HG3 LYS 43 HG2 LYS 43 33.824 -21.731 41.752 250 HD3 LYS 43 HD2 LYS 43 31.347 -21.372 40.468 251 HE3 LYS 43 HE2 LYS 43 32.489 -23.484 40.590 252 HZ1 LYS 43 HZ1 LYS 43 33.538 -23.521 42.656 253 HZ2 LYS 43 HZ2 LYS 43 32.346 -24.714 42.792 254 HZ3 LYS 43 HZ3 LYS 43 32.112 -23.199 43.509 255 H VAL 44 H VAL 44 32.571 -17.514 44.934 256 HA VAL 44 HA VAL 44 30.765 -18.774 46.878 257 HB VAL 44 HB VAL 44 33.079 -18.621 47.608 258 HG11 VAL 44 HG11 VAL 44 33.749 -16.704 46.237 259 HG12 VAL 44 HG12 VAL 44 32.788 -15.639 47.264 260 HG13 VAL 44 HG13 VAL 44 34.188 -16.480 47.929 261 HG21 VAL 44 HG21 VAL 44 32.535 -18.090 49.727 262 HG22 VAL 44 HG22 VAL 44 31.929 -16.494 49.284 263 HG23 VAL 44 HG23 VAL 44 30.910 -17.916 49.065 264 H GLN 45 H GLN 45 29.279 -17.576 48.056 265 HA GLN 45 HA GLN 45 27.624 -16.026 48.285 266 HB3 GLN 45 HB2 GLN 45 29.823 -14.024 47.768 267 HG3 GLN 45 HG2 GLN 45 28.202 -13.349 49.977 268 HE21 GLN 45 HE21 GLN 45 26.507 -11.982 47.646 269 HE22 GLN 45 HE22 GLN 45 27.504 -10.625 47.259 270 HA PRO 46 HA PRO 46 27.273 -15.455 43.672 271 HB3 PRO 46 HB2 PRO 46 26.562 -17.616 43.354 272 HG3 PRO 46 HG2 PRO 46 25.614 -18.835 45.092 273 HD3 PRO 46 HD2 PRO 46 27.519 -18.067 46.139 274 H GLU 47 H GLU 47 24.777 -15.112 42.660 275 HA GLU 47 HA GLU 47 22.938 -13.683 44.199 276 HB3 GLU 47 HB2 GLU 47 24.514 -11.965 44.571 277 HG3 GLU 47 HG2 GLU 47 25.291 -12.370 41.722 278 H ASP 48 H ASP 48 24.491 -14.107 41.084 279 HA ASP 48 HA ASP 48 21.869 -13.755 39.782 280 HB3 ASP 48 HB2 ASP 48 23.141 -12.111 38.775 281 H ASN 49 H ASN 49 23.043 -16.171 41.040 282 HA ASN 49 HA ASN 49 22.905 -17.920 38.679 283 HB3 ASN 49 HB2 ASN 49 24.533 -18.872 40.963 284 HD21 ASN 49 HD21 ASN 49 24.739 -17.998 37.527 285 HD22 ASN 49 HD22 ASN 49 25.289 -19.546 36.993 286 H LYS 50 H LYS 50 22.912 -20.355 39.874 287 HA LYS 50 HA LYS 50 20.616 -20.255 41.718 288 HB3 LYS 50 HB2 LYS 50 19.782 -20.976 39.592 289 HG3 LYS 50 HG2 LYS 50 22.324 -22.271 39.319 290 HD3 LYS 50 HD2 LYS 50 20.897 -24.194 38.005 291 HE3 LYS 50 HE2 LYS 50 21.760 -24.701 40.818 292 HZ1 LYS 50 HZ1 LYS 50 21.603 -26.161 38.325 293 HZ2 LYS 50 HZ2 LYS 50 21.504 -26.723 39.918 294 HZ3 LYS 50 HZ3 LYS 50 23.016 -26.434 39.215 295 H GLY 51 H GLY 51 21.065 -21.107 43.634 296 HA2 GLY 51 HA2 GLY 51 21.669 -22.969 45.000 297 HA3 GLY 51 HA3 GLY 51 22.812 -23.466 43.761 298 H VAL 52 H VAL 52 22.421 -21.869 46.703 299 HA VAL 52 HA VAL 52 24.846 -20.283 46.491 300 HB VAL 52 HB VAL 52 23.100 -20.765 48.910 301 HG11 VAL 52 HG11 VAL 52 25.185 -18.655 48.360 302 HG12 VAL 52 HG12 VAL 52 24.176 -18.762 49.804 303 HG13 VAL 52 HG13 VAL 52 25.360 -20.023 49.459 304 HG21 VAL 52 HG21 VAL 52 22.018 -18.682 48.419 305 HG22 VAL 52 HG22 VAL 52 23.092 -18.390 47.050 306 HG23 VAL 52 HG23 VAL 52 21.917 -19.704 46.985 307 H PHE 53 H PHE 53 23.849 -23.387 47.641 308 HA PHE 53 HA PHE 53 25.751 -23.954 49.573 309 HB3 PHE 53 HB2 PHE 53 25.503 -26.344 48.214 310 HD1 PHE 53 HD2 PHE 53 23.070 -24.159 50.022 311 HD2 PHE 53 HD1 PHE 53 25.238 -27.821 49.936 312 HE1 PHE 53 HE2 PHE 53 22.088 -24.786 52.188 313 HE2 PHE 53 HE1 PHE 53 24.258 -28.456 52.102 314 HZ PHE 53 HZ PHE 53 22.682 -26.937 53.232 315 H GLN 54 H GLN 54 26.046 -23.947 46.074 316 HA GLN 54 HA GLN 54 28.479 -25.279 45.804 317 HB3 GLN 54 HB2 GLN 54 28.523 -23.288 43.860 318 HG3 GLN 54 HG2 GLN 54 26.841 -25.378 42.940 319 HE21 GLN 54 HE21 GLN 54 30.194 -26.072 43.324 320 HE22 GLN 54 HE22 GLN 54 30.696 -25.594 41.741 321 H GLY 55 H GLY 55 27.772 -22.090 46.962 322 HA2 GLY 55 HA2 GLY 55 30.544 -21.220 46.734 323 HA3 GLY 55 HA3 GLY 55 29.197 -20.264 47.334 324 H VAL 56 H VAL 56 28.358 -22.459 49.151 325 HA VAL 56 HA VAL 56 29.606 -21.619 51.485 326 HB VAL 56 HB VAL 56 28.278 -24.290 51.004 327 HG11 VAL 56 HG11 VAL 56 27.846 -24.230 53.434 328 HG12 VAL 56 HG12 VAL 56 29.566 -24.302 53.049 329 HG13 VAL 56 HG13 VAL 56 28.836 -22.777 53.552 330 HG21 VAL 56 HG21 VAL 56 26.836 -22.410 50.396 331 HG22 VAL 56 HG22 VAL 56 26.251 -23.220 51.850 332 HG23 VAL 56 HG23 VAL 56 27.110 -21.683 51.980 333 H HIS 57 H HIS 57 30.546 -24.073 49.200 334 HA HIS 57 HA HIS 57 32.531 -25.230 50.961 335 HB3 HIS 57 HB2 HIS 57 32.323 -25.727 47.999 336 HD1 HIS 57 HD1 HIS 57 33.054 -28.227 47.460 337 HD2 HIS 57 HD2 HIS 57 33.969 -26.867 51.277 338 HE1 HIS 57 HE1 HIS 57 34.756 -29.844 48.359 339 H ASP 58 H ASP 58 32.358 -22.824 48.463 340 HA ASP 58 HA ASP 58 35.213 -22.712 48.047 341 HB3 ASP 58 HB2 ASP 58 33.938 -20.354 47.087 342 H SER 59 H SER 59 32.876 -21.218 50.110 343 HA SER 59 HA SER 59 34.097 -18.814 50.750 344 HB3 SER 59 HB2 SER 59 32.961 -20.160 53.086 345 HG SER 59 HG SER 59 33.103 -17.781 52.258 346 H ALA 60 H ALA 60 34.972 -22.054 51.636 347 HA ALA 60 HA ALA 60 36.495 -21.683 53.907 348 HB1 ALA 60 HB1 ALA 60 36.205 -23.704 51.905 349 HB2 ALA 60 HB2 ALA 60 37.913 -23.515 52.307 350 HB3 ALA 60 HB3 ALA 60 36.739 -23.863 53.578 351 H GLU 61 H GLU 61 37.223 -20.819 50.605 352 HA GLU 61 HA GLU 61 39.928 -19.989 51.398 353 HB3 GLU 61 HB2 GLU 61 39.974 -19.617 48.754 354 HG3 GLU 61 HG2 GLU 61 40.139 -22.462 49.130 355 H LYS 62 H LYS 62 37.559 -18.774 49.032 356 HA LYS 62 HA LYS 62 36.797 -16.680 48.574 357 HB3 LYS 62 HB2 LYS 62 37.618 -15.686 51.269 358 HG3 LYS 62 HG2 LYS 62 34.981 -15.175 51.027 359 HD3 LYS 62 HD2 LYS 62 36.137 -13.056 49.661 360 HE3 LYS 62 HE2 LYS 62 36.652 -12.591 52.355 361 HZ1 LYS 62 HZ1 LYS 62 34.423 -11.517 52.282 362 HZ2 LYS 62 HZ2 LYS 62 34.202 -12.171 50.737 363 HZ3 LYS 62 HZ3 LYS 62 35.451 -11.064 51.017 364 H GLY 63 H GLY 63 37.486 -14.371 48.341 365 HA2 GLY 63 HA2 GLY 63 39.754 -13.110 48.884 366 HA3 GLY 63 HA3 GLY 63 40.345 -14.319 47.754 367 H LYS 64 H LYS 64 37.882 -11.777 48.075 368 HA LYS 64 HA LYS 64 37.223 -11.541 45.377 369 HB3 LYS 64 HB2 LYS 64 36.057 -10.466 47.347 370 HG3 LYS 64 HG2 LYS 64 37.943 -8.174 46.920 371 HD3 LYS 64 HD2 LYS 64 36.454 -8.566 49.432 372 HE3 LYS 64 HE2 LYS 64 35.905 -6.080 48.331 373 HZ1 LYS 64 HZ1 LYS 64 36.537 -6.415 50.601 374 HZ2 LYS 64 HZ2 LYS 64 37.610 -5.305 49.911 375 HZ3 LYS 64 HZ3 LYS 64 38.094 -6.907 50.158 376 H ASP 65 H ASP 65 37.668 -9.329 44.193 377 HA ASP 65 HA ASP 65 40.452 -8.503 44.430 378 HB3 ASP 65 HB2 ASP 65 39.622 -9.146 41.660 379 H ASN 66 H ASN 66 40.727 -7.018 42.175 380 HA ASN 66 HA ASN 66 38.522 -5.074 42.385 381 HB3 ASN 66 HB2 ASN 66 40.800 -3.738 41.416 382 HD21 ASN 66 HD21 ASN 66 41.297 -3.901 44.664 383 HD22 ASN 66 HD22 ASN 66 40.240 -2.634 45.178 384 H ALA 67 H ALA 67 38.687 -3.473 40.400 385 HA ALA 67 HA ALA 67 39.554 -4.531 37.915 386 HB1 ALA 67 HB1 ALA 67 37.553 -5.999 38.514 387 HB2 ALA 67 HB2 ALA 67 36.567 -4.568 38.208 388 HB3 ALA 67 HB3 ALA 67 37.558 -5.247 36.918 389 H GLU 68 H GLU 68 37.882 -3.336 36.140 390 HA GLU 68 HA GLU 68 36.978 -0.764 36.810 391 HB3 GLU 68 HB2 GLU 68 39.423 -0.346 35.223 392 HG3 GLU 68 HG2 GLU 68 39.199 1.204 37.634 393 H GLY 69 H GLY 69 36.999 0.680 34.676 394 HA2 GLY 69 HA2 GLY 69 36.942 -0.794 32.210 395 HA3 GLY 69 HA3 GLY 69 35.333 -0.461 32.835 396 H GLN 70 H GLN 70 35.199 0.700 30.731 397 HA GLN 70 HA GLN 70 35.282 3.468 31.114 398 HB3 GLN 70 HB2 GLN 70 37.224 2.970 28.965 399 HG3 GLN 70 HG2 GLN 70 37.168 4.847 31.315 400 HE21 GLN 70 HE21 GLN 70 39.318 4.574 31.896 401 HE22 GLN 70 HE22 GLN 70 40.619 5.102 30.889 402 H GLY 71 H GLY 71 35.077 4.636 28.852 403 HA2 GLY 71 HA2 GLY 71 34.357 4.329 26.541 404 HA3 GLY 71 HA3 GLY 71 33.504 2.884 27.068 405 H GLU 72 H GLU 72 32.812 5.667 25.831 406 HA GLU 72 HA GLU 72 30.191 5.797 26.866 407 HB3 GLU 72 HB2 GLU 72 31.400 6.824 28.781 408 HG3 GLU 72 HG2 GLU 72 31.923 9.171 26.987 409 H SER 73 H SER 73 28.922 6.662 25.348 410 HA SER 73 HA SER 73 29.798 8.845 23.684 411 HB3 SER 73 HB2 SER 73 29.962 7.774 21.630 412 HG SER 73 HG SER 73 30.751 5.477 22.956 413 H LEU 74 H LEU 74 28.011 9.985 24.293 414 HA LEU 74 HA LEU 74 25.424 9.066 24.618 415 HB3 LEU 74 HB2 LEU 74 26.377 11.761 23.661 416 HG LEU 74 HG LEU 74 23.993 11.670 23.228 417 HD11 LEU 74 HD11 LEU 74 22.562 11.422 25.416 418 HD12 LEU 74 HD12 LEU 74 23.932 10.443 25.939 419 HD13 LEU 74 HD13 LEU 74 23.044 10.007 24.479 420 HD21 LEU 74 HD21 LEU 74 25.288 13.550 24.736 421 HD22 LEU 74 HD22 LEU 74 23.878 13.178 25.728 422 HD23 LEU 74 HD23 LEU 74 23.667 13.720 24.063 423 H ALA 75 H ALA 75 27.163 9.781 21.693 424 HA ALA 75 HA ALA 75 25.109 10.150 19.874 425 HB1 ALA 75 HB1 ALA 75 26.945 8.657 18.465 426 HB2 ALA 75 HB2 ALA 75 26.977 10.408 18.682 427 HB3 ALA 75 HB3 ALA 75 27.908 9.369 19.760 428 H ASP 76 H ASP 76 26.411 7.147 21.196 429 HA ASP 76 HA ASP 76 24.822 5.450 19.526 430 HB3 ASP 76 HB2 ASP 76 25.889 4.472 22.132 431 H GLN 77 H GLN 77 24.449 6.921 22.677 432 HA GLN 77 HA GLN 77 22.184 5.342 23.443 433 HB3 GLN 77 HB2 GLN 77 23.392 7.886 24.520 434 HG3 GLN 77 HG2 GLN 77 20.995 7.959 24.994 435 HE21 GLN 77 HE21 GLN 77 22.428 5.161 26.648 436 HE22 GLN 77 HE22 GLN 77 20.980 4.219 26.673 437 H ALA 78 H ALA 78 22.688 8.242 21.618 438 HA ALA 78 HA ALA 78 20.075 9.326 21.853 439 HB1 ALA 78 HB1 ALA 78 22.495 9.902 20.357 440 HB2 ALA 78 HB2 ALA 78 21.034 10.188 19.410 441 HB3 ALA 78 HB3 ALA 78 21.251 10.996 20.963 442 H ARG 79 H ARG 79 21.625 7.329 19.347 443 HA ARG 79 HA ARG 79 19.398 7.138 17.651 444 HB3 ARG 79 HB2 ARG 79 20.668 4.827 17.125 445 HG3 ARG 79 HG2 ARG 79 22.412 6.303 15.856 446 HD3 ARG 79 HD2 ARG 79 20.005 5.269 15.201 447 HE ARG 79 HE ARG 79 18.522 7.018 15.240 448 HH11 ARG 79 HH11 ARG 79 21.517 8.074 13.813 449 HH12 ARG 79 HH12 ARG 79 20.882 9.600 13.294 450 HH21 ARG 79 HH21 ARG 79 17.674 9.024 14.560 451 HH22 ARG 79 HH22 ARG 79 18.697 10.140 13.721 452 H ASP 80 H ASP 80 20.210 5.491 20.593 453 HA ASP 80 HA ASP 80 18.384 3.310 20.231 454 HB3 ASP 80 HB2 ASP 80 19.074 3.941 22.998 455 H TYR 81 H TYR 81 18.316 6.414 21.914 456 HA TYR 81 HA TYR 81 15.741 5.984 23.084 457 HB3 TYR 81 HB2 TYR 81 17.231 8.583 22.662 458 HD1 TYR 81 HD2 TYR 81 14.614 6.773 24.594 459 HD2 TYR 81 HD1 TYR 81 16.324 10.533 23.574 460 HE1 TYR 81 HE2 TYR 81 12.763 7.920 25.737 461 HE2 TYR 81 HE1 TYR 81 14.478 11.689 24.715 462 HH TYR 81 HH TYR 81 12.704 10.650 26.859 463 H MET 82 H MET 82 16.949 7.645 20.213 464 HA MET 82 HA MET 82 14.512 8.850 19.458 465 HB3 MET 82 HB2 MET 82 15.747 8.567 17.084 466 HG3 MET 82 HG2 MET 82 17.240 10.550 17.811 467 HE1 MET 82 HE1 MET 82 16.407 10.806 15.633 468 HE2 MET 82 HE2 MET 82 14.920 11.621 15.150 469 HE3 MET 82 HE3 MET 82 16.200 12.528 15.956 470 H GLY 83 H GLY 83 16.096 5.899 18.220 471 HA2 GLY 83 HA2 GLY 83 14.074 5.086 16.493 472 HA3 GLY 83 HA3 GLY 83 15.217 4.002 17.272 473 H ALA 84 H ALA 84 14.309 4.738 19.967 474 HA ALA 84 HA ALA 84 12.204 2.812 20.189 475 HB1 ALA 84 HB1 ALA 84 12.291 3.473 22.635 476 HB2 ALA 84 HB2 ALA 84 13.778 2.822 21.943 477 HB3 ALA 84 HB3 ALA 84 13.609 4.560 22.192 478 H ALA 85 H ALA 85 12.372 6.261 19.969 479 HA ALA 85 HA ALA 85 9.790 6.784 21.098 480 HB1 ALA 85 HB1 ALA 85 11.955 8.348 19.893 481 HB2 ALA 85 HB2 ALA 85 10.338 8.984 19.592 482 HB3 ALA 85 HB3 ALA 85 10.892 8.732 21.247 483 H LYS 86 H LYS 86 11.069 6.218 17.876 484 HA LYS 86 HA LYS 86 8.800 7.031 16.411 485 HB3 LYS 86 HB2 LYS 86 9.759 5.537 14.614 486 HG3 LYS 86 HG2 LYS 86 10.963 7.869 15.771 487 HD3 LYS 86 HD2 LYS 86 12.777 5.672 15.088 488 HE3 LYS 86 HE2 LYS 86 13.014 6.850 13.007 489 HZ1 LYS 86 HZ1 LYS 86 12.090 8.983 13.656 490 HZ2 LYS 86 HZ2 LYS 86 13.615 9.190 12.956 491 HZ3 LYS 86 HZ3 LYS 86 13.433 9.301 14.634 492 H SER 87 H SER 87 9.870 3.759 17.348 493 HA SER 87 HA SER 87 7.603 2.408 16.411 494 HB3 SER 87 HB2 SER 87 8.971 1.348 18.833 495 HG SER 87 HG SER 87 9.076 -0.484 17.359 496 H LYS 88 H LYS 88 8.341 3.748 19.607 497 HA LYS 88 HA LYS 88 6.003 2.843 20.895 498 HB3 LYS 88 HB2 LYS 88 6.516 4.794 22.484 499 HG3 LYS 88 HG2 LYS 88 8.608 3.803 23.338 500 HD3 LYS 88 HD2 LYS 88 7.284 1.317 22.800 501 HE3 LYS 88 HE2 LYS 88 6.483 1.840 25.230 502 HZ1 LYS 88 HZ1 LYS 88 8.767 0.735 24.202 503 HZ2 LYS 88 HZ2 LYS 88 8.222 0.608 25.798 504 HZ3 LYS 88 HZ3 LYS 88 9.329 1.815 25.377 505 H LEU 89 H LEU 89 6.786 6.009 19.463 506 HA LEU 89 HA LEU 89 4.405 7.316 19.955 507 HB3 LEU 89 HB2 LEU 89 6.160 7.521 17.512 508 HG LEU 89 HG LEU 89 4.216 8.771 16.963 509 HD11 LEU 89 HD11 LEU 89 2.847 9.246 18.662 510 HD12 LEU 89 HD12 LEU 89 3.812 10.710 18.848 511 HD13 LEU 89 HD13 LEU 89 4.164 9.292 19.835 512 HD21 LEU 89 HD21 LEU 89 5.522 11.140 17.913 513 HD22 LEU 89 HD22 LEU 89 5.447 10.485 16.277 514 HD23 LEU 89 HD23 LEU 89 6.724 9.965 17.379 515 H ASN 90 H ASN 90 5.252 5.470 17.022 516 HA ASN 90 HA ASN 90 2.778 5.694 15.749 517 HB3 ASN 90 HB2 ASN 90 4.188 3.135 15.352 518 HD21 ASN 90 HD21 ASN 90 2.158 3.025 14.157 519 HD22 ASN 90 HD22 ASN 90 2.082 3.734 12.582 520 H ASP 91 H ASP 91 3.817 3.647 18.353 521 HA ASP 91 HA ASP 91 1.732 1.719 18.146 522 HB3 ASP 91 HB2 ASP 91 2.596 1.894 20.839 523 H ALA 92 H ALA 92 2.099 4.784 19.820 524 HA ALA 92 HA ALA 92 -0.371 4.498 21.284 525 HB1 ALA 92 HB1 ALA 92 0.535 6.068 22.559 526 HB2 ALA 92 HB2 ALA 92 1.910 6.149 21.459 527 HB3 ALA 92 HB3 ALA 92 0.521 7.206 21.212 528 H VAL 93 H VAL 93 0.778 6.431 18.533 529 HA VAL 93 HA VAL 93 -1.488 7.939 18.044 530 HB VAL 93 HB VAL 93 0.263 6.750 15.892 531 HG11 VAL 93 HG11 VAL 93 -1.824 7.903 15.180 532 HG12 VAL 93 HG12 VAL 93 -1.226 9.371 15.957 533 HG13 VAL 93 HG13 VAL 93 -0.348 8.672 14.596 534 HG21 VAL 93 HG21 VAL 93 0.963 8.503 18.045 535 HG22 VAL 93 HG22 VAL 93 1.981 7.867 16.753 536 HG23 VAL 93 HG23 VAL 93 1.088 9.368 16.513 537 H GLU 94 H GLU 94 -0.658 4.804 16.555 538 HA GLU 94 HA GLU 94 -2.921 4.411 15.047 539 HB3 GLU 94 HB2 GLU 94 -2.227 1.914 16.253 540 HG3 GLU 94 HG2 GLU 94 -0.821 2.170 13.850 541 H TYR 95 H TYR 95 -2.485 3.912 18.500 542 HA TYR 95 HA TYR 95 -5.037 2.667 18.882 543 HB3 TYR 95 HB2 TYR 95 -3.242 3.955 20.948 544 HD1 TYR 95 HD1 TYR 95 -5.411 4.615 22.102 545 HD2 TYR 95 HD2 TYR 95 -4.339 0.568 21.347 546 HE1 TYR 95 HE1 TYR 95 -7.020 3.877 23.809 547 HE2 TYR 95 HE2 TYR 95 -5.945 -0.183 23.051 548 HH TYR 95 HH TYR 95 -7.066 0.721 25.046 549 H VAL 96 H VAL 96 -3.723 5.921 19.292 550 HA VAL 96 HA VAL 96 -5.998 7.068 20.503 551 HB VAL 96 HB VAL 96 -3.955 8.463 18.771 552 HG11 VAL 96 HG11 VAL 96 -5.599 9.596 21.023 553 HG12 VAL 96 HG12 VAL 96 -4.598 10.470 19.863 554 HG13 VAL 96 HG13 VAL 96 -6.085 9.685 19.330 555 HG21 VAL 96 HG21 VAL 96 -2.457 7.964 20.336 556 HG22 VAL 96 HG22 VAL 96 -3.404 8.916 21.479 557 HG23 VAL 96 HG23 VAL 96 -3.683 7.180 21.331 558 H SER 97 H SER 97 -4.903 7.082 17.113 559 HA SER 97 HA SER 97 -7.062 8.512 16.056 560 HB3 SER 97 HB2 SER 97 -6.121 6.524 14.184 561 HG SER 97 HG SER 97 -5.008 8.873 13.762 562 H GLY 98 H GLY 98 -6.725 5.137 16.904 563 HA2 GLY 98 HA2 GLY 98 -9.111 4.301 15.527 564 HA3 GLY 98 HA3 GLY 98 -8.167 3.343 16.657 565 H ARG 99 H ARG 99 -8.396 5.646 18.626 566 HA ARG 99 HA ARG 99 -10.897 4.739 19.795 567 HB3 ARG 99 HB2 ARG 99 -9.859 6.578 21.550 568 HG3 ARG 99 HG2 ARG 99 -8.523 4.393 22.371 569 HD3 ARG 99 HD2 ARG 99 -11.408 4.063 22.698 570 HE ARG 99 HE ARG 99 -9.129 3.939 24.352 571 HH11 ARG 99 HH11 ARG 99 -12.500 4.808 24.437 572 HH12 ARG 99 HH12 ARG 99 -12.686 4.440 26.120 573 HH21 ARG 99 HH21 ARG 99 -9.363 3.449 26.568 574 HH22 ARG 99 HH22 ARG 99 -10.902 3.666 27.331 575 H VAL 100 H VAL 100 -9.371 7.821 18.889 576 HA VAL 100 HA VAL 100 -11.377 9.573 19.602 577 HB VAL 100 HB VAL 100 -9.593 9.727 17.167 578 HG11 VAL 100 HG11 VAL 100 -11.758 11.398 18.003 579 HG12 VAL 100 HG12 VAL 100 -10.243 12.290 18.139 580 HG13 VAL 100 HG13 VAL 100 -10.704 11.563 16.599 581 HG21 VAL 100 HG21 VAL 100 -9.015 11.431 19.468 582 HG22 VAL 100 HG22 VAL 100 -8.864 9.706 19.808 583 HG23 VAL 100 HG23 VAL 100 -7.934 10.431 18.497 584 H HIS 101 H HIS 101 -11.121 7.578 16.703 585 HA HIS 101 HA HIS 101 -13.894 8.323 16.038 586 HB3 HIS 101 HB2 HIS 101 -12.897 7.461 13.653 587 HD1 HIS 101 HD1 HIS 101 -13.858 9.081 12.054 588 HD2 HIS 101 HD2 HIS 101 -12.654 10.918 15.582 589 HE1 HIS 101 HE1 HIS 101 -14.549 11.488 11.828 590 H GLY 102 H GLY 102 -14.482 6.504 17.413 591 HA2 GLY 102 HA2 GLY 102 -14.416 3.997 15.883 592 HA3 GLY 102 HA3 GLY 102 -13.909 3.973 17.565 593 H GLU 103 H GLU 103 -15.536 2.623 18.276 594 HA GLU 103 HA GLU 103 -18.142 3.903 18.564 595 HB3 GLU 103 HB2 GLU 103 -18.539 1.097 18.038 596 HG3 GLU 103 HG2 GLU 103 -19.492 3.092 16.095 597 H GLU 104 H GLU 104 -19.539 1.944 19.804 598 HA GLU 104 HA GLU 104 -17.855 1.221 22.111 599 HB3 GLU 104 HB2 GLU 104 -20.026 1.485 23.445 600 HG3 GLU 104 HG2 GLU 104 -18.219 3.548 22.512 601 H ASP 105 H ASP 105 -19.368 -0.362 23.558 602 HA ASP 105 HA ASP 105 -20.427 -2.433 21.757 603 HB3 ASP 105 HB2 ASP 105 -18.421 -3.451 22.240 604 HA PRO 106 HA PRO 106 -23.853 -2.775 24.473 605 HB3 PRO 106 HB2 PRO 106 -24.685 -4.390 23.066 606 HG3 PRO 106 HG2 PRO 106 -23.278 -5.947 22.062 607 HD3 PRO 106 HD2 PRO 106 -22.154 -4.002 21.544 608 H THR 107 H THR 107 -24.686 -4.489 26.281 609 HA THR 107 HA THR 107 -22.592 -5.453 28.004 610 HB THR 107 HB THR 107 -24.270 -3.513 29.461 611 HG1 THR 107 HG1 THR 107 -23.818 -1.974 28.058 612 HG21 THR 107 HG21 THR 107 -21.990 -3.009 30.452 613 HG22 THR 107 HG22 THR 107 -21.369 -4.321 29.453 614 HG23 THR 107 HG23 THR 107 -22.589 -4.651 30.683 615 H LYS 108 H LYS 108 -23.488 -6.393 30.031 616 HA LYS 108 HA LYS 108 -24.899 -7.863 31.046 617 HB3 LYS 108 HB2 LYS 108 -27.385 -6.647 30.085 618 HG3 LYS 108 HG2 LYS 108 -26.174 -6.771 32.839 619 HD3 LYS 108 HD2 LYS 108 -29.073 -6.487 32.092 620 HE3 LYS 108 HE2 LYS 108 -27.477 -6.086 34.615 621 HZ1 LYS 108 HZ1 LYS 108 -29.276 -5.113 35.623 622 HZ2 LYS 108 HZ2 LYS 108 -30.385 -5.681 34.479 623 HZ3 LYS 108 HZ3 LYS 108 -29.352 -4.400 34.090 624 H LYS 109 H LYS 109 -27.141 -9.124 30.566 625 HA LYS 109 HA LYS 109 -26.603 -10.962 28.579 626 HB3 LYS 109 HB2 LYS 109 -29.367 -11.026 28.789 627 HG3 LYS 109 HG2 LYS 109 -27.360 -12.257 30.668 628 HD3 LYS 109 HD2 LYS 109 -30.038 -13.410 30.004 629 HE3 LYS 109 HE2 LYS 109 -28.239 -13.571 32.422 630 HZ1 LYS 109 HZ1 LYS 109 -29.722 -15.469 32.977 631 HZ2 LYS 109 HZ2 LYS 109 -30.779 -14.954 31.760 632 HZ3 LYS 109 HZ3 LYS 109 -30.471 -13.956 33.092 Start of MODEL 9 1 H1 MET 1 H MET 1 72.184 -14.055 44.167 2 HA MET 1 HA MET 1 74.952 -14.213 44.803 3 HB3 MET 1 HB2 MET 1 75.485 -16.259 43.552 4 HG3 MET 1 HG2 MET 1 73.985 -16.276 46.030 5 HE1 MET 1 HE1 MET 1 73.521 -20.109 46.809 6 HE2 MET 1 HE2 MET 1 74.445 -18.683 47.282 7 HE3 MET 1 HE3 MET 1 72.684 -18.664 47.374 8 H SER 2 H SER 2 74.446 -12.153 43.679 9 HA SER 2 HA SER 2 75.344 -12.243 40.995 10 HB3 SER 2 HB2 SER 2 72.729 -12.821 41.031 11 HG SER 2 HG SER 2 71.940 -10.513 40.317 12 H ASP 3 H ASP 3 74.550 -9.851 40.004 13 HA ASP 3 HA ASP 3 76.102 -8.013 41.454 14 HB3 ASP 3 HB2 ASP 3 75.595 -7.940 38.982 15 H ALA 4 H ALA 4 74.928 -5.657 41.705 16 HA ALA 4 HA ALA 4 72.465 -5.980 43.248 17 HB1 ALA 4 HB1 ALA 4 73.416 -4.657 45.123 18 HB2 ALA 4 HB2 ALA 4 74.159 -6.246 44.927 19 HB3 ALA 4 HB3 ALA 4 75.003 -4.803 44.367 20 H GLY 5 H GLY 5 71.975 -3.591 44.205 21 HA2 GLY 5 HA2 GLY 5 72.745 -1.416 42.520 22 HA3 GLY 5 HA3 GLY 5 71.157 -2.034 42.086 23 H ARG 6 H ARG 6 71.086 0.468 42.794 24 HA ARG 6 HA ARG 6 70.221 2.002 44.236 25 HB3 ARG 6 HB2 ARG 6 68.401 1.306 45.596 26 HG3 ARG 6 HG2 ARG 6 68.401 -0.879 43.551 27 HD3 ARG 6 HD2 ARG 6 66.044 0.642 43.556 28 HE ARG 6 HE ARG 6 65.594 -1.604 43.382 29 HH11 ARG 6 HH11 ARG 6 67.282 -0.978 46.361 30 HH12 ARG 6 HH12 ARG 6 67.027 -2.571 46.993 31 HH21 ARG 6 HH21 ARG 6 65.250 -3.704 44.204 32 HH22 ARG 6 HH22 ARG 6 65.871 -4.120 45.764 33 H LYS 7 H LYS 7 69.824 2.286 46.824 34 HA LYS 7 HA LYS 7 70.828 2.639 48.835 35 HB3 LYS 7 HB2 LYS 7 72.070 0.862 49.836 36 HG3 LYS 7 HG2 LYS 7 70.146 -0.375 47.877 37 HD3 LYS 7 HD2 LYS 7 70.015 -1.922 50.063 38 HE3 LYS 7 HE2 LYS 7 71.859 -2.134 47.699 39 HZ1 LYS 7 HZ1 LYS 7 71.834 -4.582 48.326 40 HZ2 LYS 7 HZ2 LYS 7 71.407 -4.076 49.881 41 HZ3 LYS 7 HZ3 LYS 7 72.874 -3.575 49.202 42 H GLY 8 H GLY 8 72.894 3.259 49.863 43 HA2 GLY 8 HA2 GLY 8 75.031 4.149 49.835 44 HA3 GLY 8 HA3 GLY 8 75.232 3.522 48.206 45 H PHE 9 H PHE 9 73.600 4.717 46.616 46 HA PHE 9 HA PHE 9 74.370 7.512 46.766 47 HB3 PHE 9 HB2 PHE 9 72.730 6.869 44.479 48 HD1 PHE 9 HD2 PHE 9 76.301 7.042 45.551 49 HD2 PHE 9 HD1 PHE 9 73.290 8.390 42.863 50 HE1 PHE 9 HE2 PHE 9 77.920 8.576 44.512 51 HE2 PHE 9 HE1 PHE 9 74.904 9.926 41.819 52 HZ PHE 9 HZ PHE 9 77.221 10.020 42.643 53 H GLY 10 H GLY 10 71.566 5.551 47.232 54 HA2 GLY 10 HA2 GLY 10 69.511 7.370 46.738 55 HA3 GLY 10 HA3 GLY 10 69.434 6.061 47.908 56 H GLU 11 H GLU 11 71.058 6.676 49.879 57 HA GLU 11 HA GLU 11 69.728 8.580 51.384 58 HB3 GLU 11 HB2 GLU 11 72.433 8.469 52.286 59 HG3 GLU 11 HG2 GLU 11 70.687 6.499 53.488 60 H LYS 12 H LYS 12 72.852 8.934 49.711 61 HA LYS 12 HA LYS 12 73.291 11.619 50.368 62 HB3 LYS 12 HB2 LYS 12 74.935 11.636 48.618 63 HG3 LYS 12 HG2 LYS 12 76.225 9.650 49.004 64 HD3 LYS 12 HD2 LYS 12 75.061 9.634 51.653 65 HE3 LYS 12 HE2 LYS 12 77.423 9.221 51.153 66 HZ1 LYS 12 HZ1 LYS 12 78.290 11.883 50.857 67 HZ2 LYS 12 HZ2 LYS 12 77.206 11.524 49.610 68 HZ3 LYS 12 HZ3 LYS 12 78.578 10.560 49.843 69 H ALA 13 H ALA 13 71.678 10.167 47.563 70 HA ALA 13 HA ALA 13 71.209 12.425 46.047 71 HB1 ALA 13 HB1 ALA 13 69.985 9.773 46.296 72 HB2 ALA 13 HB2 ALA 13 68.920 11.016 45.639 73 HB3 ALA 13 HB3 ALA 13 70.464 10.676 44.858 74 H SER 14 H SER 14 69.030 11.033 48.506 75 HA SER 14 HA SER 14 67.104 13.064 48.403 76 HB3 SER 14 HB2 SER 14 66.903 12.188 50.977 77 HG SER 14 HG SER 14 65.171 11.621 49.931 78 H GLU 15 H GLU 15 70.155 12.848 50.085 79 HA GLU 15 HA GLU 15 69.700 15.009 51.881 80 HB3 GLU 15 HB2 GLU 15 72.264 14.973 52.014 81 HG3 GLU 15 HG2 GLU 15 71.751 12.235 52.614 82 H ALA 16 H ALA 16 70.997 14.737 48.632 83 HA ALA 16 HA ALA 16 72.097 17.331 48.442 84 HB1 ALA 16 HB1 ALA 16 71.128 16.423 45.901 85 HB2 ALA 16 HB2 ALA 16 72.789 16.555 46.482 86 HB3 ALA 16 HB3 ALA 16 71.866 15.082 46.776 87 H LEU 17 H LEU 17 69.047 16.077 47.068 88 HA LEU 17 HA LEU 17 68.022 18.515 46.218 89 HB3 LEU 17 HB2 LEU 17 66.878 16.703 45.391 90 HG LEU 17 HG LEU 17 67.447 15.372 47.828 91 HD11 LEU 17 HD11 LEU 17 64.897 16.219 48.046 92 HD12 LEU 17 HD12 LEU 17 65.498 14.711 48.735 93 HD13 LEU 17 HD13 LEU 17 64.656 14.699 47.186 94 HD21 LEU 17 HD21 LEU 17 67.556 14.718 45.302 95 HD22 LEU 17 HD22 LEU 17 65.917 14.134 45.584 96 HD23 LEU 17 HD23 LEU 17 67.259 13.483 46.526 97 H LYS 18 H LYS 18 67.581 16.857 49.323 98 HA LYS 18 HA LYS 18 65.763 18.506 50.546 99 HB3 LYS 18 HB2 LYS 18 67.525 17.973 52.595 100 HG3 LYS 18 HG2 LYS 18 65.212 17.317 52.676 101 HD3 LYS 18 HD2 LYS 18 65.236 14.820 51.344 102 HE3 LYS 18 HE2 LYS 18 63.512 16.058 49.896 103 HZ1 LYS 18 HZ1 LYS 18 63.415 15.257 52.614 104 HZ2 LYS 18 HZ2 LYS 18 62.223 15.129 51.422 105 HZ3 LYS 18 HZ3 LYS 18 62.345 16.540 52.347 106 HA PRO 19 HA PRO 19 68.078 22.361 50.353 107 HB3 PRO 19 HB2 PRO 19 66.191 23.309 49.445 108 HG3 PRO 19 HG2 PRO 19 64.077 22.465 49.922 109 HD3 PRO 19 HD2 PRO 19 65.159 20.516 49.329 110 H ASP 20 H ASP 20 67.793 24.374 52.021 111 HA ASP 20 HA ASP 20 69.012 23.577 54.393 112 HB3 ASP 20 HB2 ASP 20 69.343 25.817 53.773 113 H SER 21 H SER 21 68.024 24.403 56.607 114 HA SER 21 HA SER 21 65.969 22.597 57.270 115 HB3 SER 21 HB2 SER 21 66.624 23.069 59.365 116 HG SER 21 HG SER 21 68.206 25.234 58.866 117 H GLN 22 H GLN 22 64.146 23.769 58.841 118 HA GLN 22 HA GLN 22 62.193 24.679 57.073 119 HB3 GLN 22 HB2 GLN 22 60.832 25.112 59.001 120 HG3 GLN 22 HG2 GLN 22 62.428 23.016 60.287 121 HE21 GLN 22 HE21 GLN 22 59.633 23.081 58.116 122 HE22 GLN 22 HE22 GLN 22 58.480 22.580 59.302 123 H LYS 23 H LYS 23 61.425 26.668 56.502 124 HA LYS 23 HA LYS 23 62.995 28.990 57.411 125 HB3 LYS 23 HB2 LYS 23 62.563 29.983 55.171 126 HG3 LYS 23 HG2 LYS 23 64.117 28.683 53.882 127 HD3 LYS 23 HD2 LYS 23 65.129 28.198 56.638 128 HE3 LYS 23 HE2 LYS 23 66.153 29.113 54.012 129 HZ1 LYS 23 HZ1 LYS 23 67.338 30.785 54.811 130 HZ2 LYS 23 HZ2 LYS 23 68.119 29.724 55.872 131 HZ3 LYS 23 HZ3 LYS 23 66.727 30.547 56.371 132 H SER 24 H SER 24 61.712 31.100 56.761 133 HA SER 24 HA SER 24 58.851 30.785 57.276 134 HB3 SER 24 HB2 SER 24 60.084 32.961 58.834 135 HG SER 24 HG SER 24 58.045 31.070 59.089 136 H TYR 25 H TYR 25 58.126 33.387 57.578 137 HA TYR 25 HA TYR 25 57.945 34.367 55.021 138 HB3 TYR 25 HB2 TYR 25 58.055 36.414 57.163 139 HD1 TYR 25 HD1 TYR 25 55.400 34.601 55.254 140 HD2 TYR 25 HD2 TYR 25 57.385 38.290 55.995 141 HE1 TYR 25 HE1 TYR 25 53.828 35.743 53.748 142 HE2 TYR 25 HE2 TYR 25 55.818 39.444 54.491 143 HH TYR 25 HH TYR 25 54.162 39.196 53.018 144 H ALA 26 H ALA 26 60.481 34.901 57.382 145 HA ALA 26 HA ALA 26 61.810 37.067 56.316 146 HB1 ALA 26 HB1 ALA 26 62.378 35.026 58.200 147 HB2 ALA 26 HB2 ALA 26 63.776 35.190 57.135 148 HB3 ALA 26 HB3 ALA 26 63.162 36.595 58.008 149 H GLU 27 H GLU 27 62.120 33.650 55.400 150 HA GLU 27 HA GLU 27 64.057 34.204 53.353 151 HB3 GLU 27 HB2 GLU 27 62.919 31.689 52.855 152 HG3 GLU 27 HG2 GLU 27 65.003 31.163 54.569 153 H GLN 28 H GLN 28 60.584 33.684 53.498 154 HA GLN 28 HA GLN 28 60.033 33.335 50.795 155 HB3 GLN 28 HB2 GLN 28 57.776 34.125 51.308 156 HG3 GLN 28 HG2 GLN 28 58.688 32.688 53.772 157 HE21 GLN 28 HE21 GLN 28 56.934 30.542 52.451 158 HE22 GLN 28 HE22 GLN 28 55.330 31.024 52.877 159 H GLY 29 H GLY 29 60.095 36.371 52.664 160 HA2 GLY 29 HA2 GLY 29 59.534 38.089 50.517 161 HA3 GLY 29 HA3 GLY 29 60.365 38.549 51.997 162 H LYS 30 H LYS 30 62.690 37.223 51.927 163 HA LYS 30 HA LYS 30 64.324 38.721 50.290 164 HB3 LYS 30 HB2 LYS 30 66.080 37.046 50.750 165 HG3 LYS 30 HG2 LYS 30 64.290 37.856 53.006 166 HD3 LYS 30 HD2 LYS 30 65.832 35.614 53.207 167 HE3 LYS 30 HE2 LYS 30 67.500 38.009 53.905 168 HZ1 LYS 30 HZ1 LYS 30 67.678 35.284 55.062 169 HZ2 LYS 30 HZ2 LYS 30 67.519 36.748 55.895 170 HZ3 LYS 30 HZ3 LYS 30 68.958 36.389 55.083 171 H GLU 31 H GLU 31 63.387 35.319 49.755 172 HA GLU 31 HA GLU 31 64.553 35.090 47.214 173 HB3 GLU 31 HB2 GLU 31 63.140 33.102 46.940 174 HG3 GLU 31 HG2 GLU 31 64.290 33.463 49.690 175 H TYR 32 H TYR 32 61.545 36.465 48.259 176 HA TYR 32 HA TYR 32 60.160 36.395 45.799 177 HB3 TYR 32 HB2 TYR 32 59.875 38.430 48.018 178 HD1 TYR 32 HD1 TYR 32 59.096 40.192 46.529 179 HD2 TYR 32 HD2 TYR 32 57.225 36.372 46.565 180 HE1 TYR 32 HE1 TYR 32 57.184 41.124 45.292 181 HE2 TYR 32 HE2 TYR 32 55.307 37.292 45.327 182 HH TYR 32 HH TYR 32 54.243 39.440 44.917 183 H ILE 33 H ILE 33 62.200 38.880 47.306 184 HA ILE 33 HA ILE 33 61.931 40.758 45.195 185 HB ILE 33 HB ILE 33 64.309 40.646 47.027 186 HG13 ILE 33 HG12 ILE 33 62.645 40.404 48.632 187 HG21 ILE 33 HG21 ILE 33 62.752 43.016 46.018 188 HG22 ILE 33 HG22 ILE 33 64.348 43.003 46.766 189 HG23 ILE 33 HG23 ILE 33 64.124 42.322 45.156 190 HD11 ILE 33 HD11 ILE 33 62.534 42.341 49.818 191 HD12 ILE 33 HD12 ILE 33 63.837 42.746 48.700 192 HD13 ILE 33 HD13 ILE 33 62.200 43.326 48.395 193 H THR 34 H THR 34 64.501 38.451 46.043 194 HA THR 34 HA THR 34 66.341 39.024 44.081 195 HB THR 34 HB THR 34 67.044 36.645 44.205 196 HG1 THR 34 HG1 THR 34 65.836 35.191 45.346 197 HG21 THR 34 HG21 THR 34 67.629 36.651 46.565 198 HG22 THR 34 HG22 THR 34 66.381 37.854 46.892 199 HG23 THR 34 HG23 THR 34 67.777 38.277 45.901 200 H ASP 35 H ASP 35 63.613 36.747 43.844 201 HA ASP 35 HA ASP 35 64.034 35.900 41.229 202 HB3 ASP 35 HB2 ASP 35 61.213 36.267 42.035 203 H LYS 36 H LYS 36 62.492 38.803 42.455 204 HA LYS 36 HA LYS 36 61.379 39.632 39.966 205 HB3 LYS 36 HB2 LYS 36 61.080 41.816 41.088 206 HG3 LYS 36 HG2 LYS 36 60.098 40.682 43.352 207 HD3 LYS 36 HD2 LYS 36 58.477 40.081 40.988 208 HE3 LYS 36 HE2 LYS 36 58.260 41.625 43.528 209 HZ1 LYS 36 HZ1 LYS 36 57.157 42.571 41.158 210 HZ2 LYS 36 HZ2 LYS 36 56.834 43.098 42.731 211 HZ3 LYS 36 HZ3 LYS 36 55.887 41.882 42.037 212 H ALA 37 H ALA 37 64.359 40.426 41.716 213 HA ALA 37 HA ALA 37 65.285 42.342 39.840 214 HB1 ALA 37 HB1 ALA 37 67.529 41.862 40.970 215 HB2 ALA 37 HB2 ALA 37 66.226 42.502 41.972 216 HB3 ALA 37 HB3 ALA 37 66.618 40.784 42.028 217 H ASP 38 H ASP 38 65.351 38.889 39.945 218 HA ASP 38 HA ASP 38 67.498 38.600 38.043 219 HB3 ASP 38 HB2 ASP 38 65.698 36.310 38.373 220 H LYS 39 H LYS 39 63.968 38.404 37.991 221 HA LYS 39 HA LYS 39 63.750 37.613 35.278 222 HB3 LYS 39 HB2 LYS 39 61.397 38.909 35.788 223 HG3 LYS 39 HG2 LYS 39 61.173 36.450 37.145 224 HD3 LYS 39 HD2 LYS 39 60.715 36.504 34.233 225 HE3 LYS 39 HE2 LYS 39 59.781 34.974 36.193 226 HZ1 LYS 39 HZ1 LYS 39 57.584 35.650 36.837 227 HZ2 LYS 39 HZ2 LYS 39 57.711 37.090 35.959 228 HZ3 LYS 39 HZ3 LYS 39 58.682 36.842 37.322 229 H VAL 40 H VAL 40 63.445 40.778 36.873 230 HA VAL 40 HA VAL 40 62.924 42.289 34.576 231 HB VAL 40 HB VAL 40 62.591 43.212 36.799 232 HG11 VAL 40 HG11 VAL 40 64.159 43.349 38.410 233 HG12 VAL 40 HG12 VAL 40 64.962 42.094 37.463 234 HG13 VAL 40 HG13 VAL 40 65.439 43.782 37.276 235 HG21 VAL 40 HG21 VAL 40 62.898 44.787 34.990 236 HG22 VAL 40 HG22 VAL 40 63.639 45.422 36.459 237 HG23 VAL 40 HG23 VAL 40 64.649 44.724 35.192 238 H ALA 41 H ALA 41 65.955 41.244 36.027 239 HA ALA 41 HA ALA 41 67.606 42.805 34.277 240 HB1 ALA 41 HB1 ALA 41 69.373 41.102 35.201 241 HB2 ALA 41 HB2 ALA 41 68.710 42.367 36.237 242 HB3 ALA 41 HB3 ALA 41 68.087 40.720 36.348 243 H GLY 42 H GLY 42 66.672 39.379 34.459 244 HA2 GLY 42 HA2 GLY 42 68.194 38.546 32.221 245 HA3 GLY 42 HA3 GLY 42 66.836 37.679 32.924 246 H LYS 43 H LYS 43 64.924 39.806 32.540 247 HA LYS 43 HA LYS 43 63.981 39.142 29.984 248 HB3 LYS 43 HB2 LYS 43 62.681 41.479 30.526 249 HG3 LYS 43 HG2 LYS 43 60.984 40.169 31.705 250 HD3 LYS 43 HD2 LYS 43 61.364 38.104 29.861 251 HE3 LYS 43 HE2 LYS 43 59.343 39.553 30.319 252 HZ1 LYS 43 HZ1 LYS 43 60.508 41.693 29.923 253 HZ2 LYS 43 HZ2 LYS 43 59.076 41.524 29.038 254 HZ3 LYS 43 HZ3 LYS 43 60.571 41.319 28.274 255 H VAL 44 H VAL 44 66.246 41.512 31.018 256 HA VAL 44 HA VAL 44 65.997 43.435 28.999 257 HB VAL 44 HB VAL 44 68.555 42.563 30.346 258 HG11 VAL 44 HG11 VAL 44 69.520 44.110 29.078 259 HG12 VAL 44 HG12 VAL 44 67.966 44.557 28.371 260 HG13 VAL 44 HG13 VAL 44 68.513 45.329 29.859 261 HG21 VAL 44 HG21 VAL 44 66.837 43.086 31.996 262 HG22 VAL 44 HG22 VAL 44 68.088 44.329 31.980 263 HG23 VAL 44 HG23 VAL 44 66.534 44.633 31.205 264 H GLN 45 H GLN 45 66.464 43.434 26.897 265 HA GLN 45 HA GLN 45 68.025 41.176 25.828 266 HB3 GLN 45 HB2 GLN 45 66.699 42.097 23.657 267 HG3 GLN 45 HG2 GLN 45 66.417 39.870 25.415 268 HE21 GLN 45 HE21 GLN 45 64.650 38.511 25.752 269 HE22 GLN 45 HE22 GLN 45 63.028 39.106 25.758 270 HA PRO 46 HA PRO 46 70.461 45.049 25.039 271 HB3 PRO 46 HB2 PRO 46 71.743 44.712 26.916 272 HG3 PRO 46 HG2 PRO 46 71.960 42.597 27.856 273 HD3 PRO 46 HD2 PRO 46 69.667 42.709 27.659 274 H GLU 47 H GLU 47 72.956 44.758 24.006 275 HA GLU 47 HA GLU 47 74.127 44.257 22.121 276 HB3 GLU 47 HB2 GLU 47 74.088 42.056 21.268 277 HG3 GLU 47 HG2 GLU 47 73.108 41.755 24.097 278 H ASP 48 H ASP 48 73.845 45.422 20.350 279 HA ASP 48 HA ASP 48 71.338 46.165 19.328 280 HB3 ASP 48 HB2 ASP 48 72.540 47.251 17.557 281 H ASN 49 H ASN 49 71.353 45.933 16.629 282 HA ASN 49 HA ASN 49 70.371 43.298 16.242 283 HB3 ASN 49 HB2 ASN 49 69.722 44.006 14.101 284 HD21 ASN 49 HD21 ASN 49 70.879 47.133 15.114 285 HD22 ASN 49 HD22 ASN 49 69.351 47.746 15.640 286 H LYS 50 H LYS 50 72.134 41.928 16.716 287 HA LYS 50 HA LYS 50 73.684 41.192 14.452 288 HB3 LYS 50 HB2 LYS 50 75.642 41.706 16.528 289 HG3 LYS 50 HG2 LYS 50 75.810 43.201 14.009 290 HD3 LYS 50 HD2 LYS 50 77.535 42.112 15.950 291 HE3 LYS 50 HE2 LYS 50 77.511 40.595 13.411 292 HZ1 LYS 50 HZ1 LYS 50 80.053 40.249 14.137 293 HZ2 LYS 50 HZ2 LYS 50 79.884 41.906 14.434 294 HZ3 LYS 50 HZ3 LYS 50 79.569 41.286 12.892 295 H GLY 51 H GLY 51 71.844 40.070 16.446 296 HA2 GLY 51 HA2 GLY 51 73.499 37.763 17.190 297 HA3 GLY 51 HA3 GLY 51 72.543 38.542 18.441 298 H VAL 52 H VAL 52 71.055 38.668 15.408 299 HA VAL 52 HA VAL 52 68.851 37.114 16.222 300 HB VAL 52 HB VAL 52 69.612 37.868 13.397 301 HG11 VAL 52 HG11 VAL 52 67.884 36.146 13.527 302 HG12 VAL 52 HG12 VAL 52 66.938 37.170 14.608 303 HG13 VAL 52 HG13 VAL 52 67.221 37.671 12.940 304 HG21 VAL 52 HG21 VAL 52 68.319 39.865 13.690 305 HG22 VAL 52 HG22 VAL 52 67.835 39.374 15.314 306 HG23 VAL 52 HG23 VAL 52 69.516 39.792 14.982 307 H PHE 53 H PHE 53 71.827 36.287 14.671 308 HA PHE 53 HA PHE 53 71.074 33.908 13.387 309 HB3 PHE 53 HB2 PHE 53 73.675 33.463 14.207 310 HD1 PHE 53 HD1 PHE 53 72.456 36.208 12.000 311 HD2 PHE 53 HD2 PHE 53 74.230 32.349 12.275 312 HE1 PHE 53 HE1 PHE 53 72.756 36.176 9.558 313 HE2 PHE 53 HE2 PHE 53 74.534 32.311 9.834 314 HZ PHE 53 HZ PHE 53 73.797 34.226 8.471 315 H GLN 54 H GLN 54 72.504 34.400 16.612 316 HA GLN 54 HA GLN 54 72.485 31.732 17.423 317 HB3 GLN 54 HB2 GLN 54 72.016 33.199 19.743 318 HG3 GLN 54 HG2 GLN 54 74.754 33.418 19.275 319 HE21 GLN 54 HE21 GLN 54 75.438 33.063 21.249 320 HE22 GLN 54 HE22 GLN 54 74.841 31.866 22.343 321 H GLY 55 H GLY 55 69.959 34.184 17.533 322 HA2 GLY 55 HA2 GLY 55 68.126 32.964 19.218 323 HA3 GLY 55 HA3 GLY 55 67.695 34.000 17.866 324 H VAL 56 H VAL 56 69.030 32.088 15.979 325 HA VAL 56 HA VAL 56 66.789 30.667 15.150 326 HB VAL 56 HB VAL 56 69.688 30.013 14.601 327 HG11 VAL 56 HG11 VAL 56 67.120 29.024 13.422 328 HG12 VAL 56 HG12 VAL 56 68.598 29.068 12.458 329 HG13 VAL 56 HG13 VAL 56 68.536 28.109 13.937 330 HG21 VAL 56 HG21 VAL 56 68.197 32.266 13.892 331 HG22 VAL 56 HG22 VAL 56 69.747 31.760 13.225 332 HG23 VAL 56 HG23 VAL 56 68.246 31.261 12.444 333 H HIS 57 H HIS 57 69.162 29.885 17.546 334 HA HIS 57 HA HIS 57 68.600 27.069 17.616 335 HB3 HIS 57 HB2 HIS 57 69.984 28.806 19.670 336 HD1 HIS 57 HD1 HIS 57 70.430 27.593 21.764 337 HD2 HIS 57 HD2 HIS 57 69.981 24.994 18.553 338 HE1 HIS 57 HE1 HIS 57 70.675 25.284 22.729 339 H ASP 58 H ASP 58 67.298 29.920 19.089 340 HA ASP 58 HA ASP 58 66.102 28.874 21.374 341 HB3 ASP 58 HB2 ASP 58 64.989 31.032 19.568 342 H SER 59 H SER 59 65.278 28.476 18.040 343 HA SER 59 HA SER 59 62.578 27.857 18.171 344 HB3 SER 59 HB2 SER 59 64.786 26.857 16.379 345 HG SER 59 HG SER 59 63.484 25.407 15.623 346 H ALA 60 H ALA 60 65.330 26.029 19.224 347 HA ALA 60 HA ALA 60 64.310 23.443 19.264 348 HB1 ALA 60 HB1 ALA 60 65.974 24.293 21.564 349 HB2 ALA 60 HB2 ALA 60 66.135 22.895 20.500 350 HB3 ALA 60 HB3 ALA 60 66.660 24.486 19.949 351 H GLU 61 H GLU 61 63.541 26.172 21.252 352 HA GLU 61 HA GLU 61 62.588 25.008 23.565 353 HB3 GLU 61 HB2 GLU 61 61.295 27.323 22.116 354 HG3 GLU 61 HG2 GLU 61 61.606 27.168 25.068 355 H LYS 62 H LYS 62 61.092 25.185 20.397 356 HA LYS 62 HA LYS 62 58.479 24.506 20.991 357 HB3 LYS 62 HB2 LYS 62 59.674 23.178 18.625 358 HG3 LYS 62 HG2 LYS 62 57.234 23.421 18.892 359 HD3 LYS 62 HD2 LYS 62 57.797 25.956 19.776 360 HE3 LYS 62 HE2 LYS 62 57.023 26.040 16.893 361 HZ1 LYS 62 HZ1 LYS 62 56.010 27.798 19.020 362 HZ2 LYS 62 HZ2 LYS 62 55.224 27.228 17.636 363 HZ3 LYS 62 HZ3 LYS 62 56.375 28.460 17.505 364 H GLY 63 H GLY 63 57.351 22.597 21.270 365 HA2 GLY 63 HA2 GLY 63 58.037 20.014 20.909 366 HA3 GLY 63 HA3 GLY 63 58.892 20.417 22.390 367 H LYS 64 H LYS 64 55.804 19.830 20.923 368 HA LYS 64 HA LYS 64 54.605 19.732 23.609 369 HB3 LYS 64 HB2 LYS 64 52.883 20.411 21.274 370 HG3 LYS 64 HG2 LYS 64 52.494 22.057 23.565 371 HD3 LYS 64 HD2 LYS 64 50.925 19.872 22.215 372 HE3 LYS 64 HE2 LYS 64 50.492 20.458 24.791 373 HZ1 LYS 64 HZ1 LYS 64 49.862 22.598 24.919 374 HZ2 LYS 64 HZ2 LYS 64 48.364 22.008 24.398 375 HZ3 LYS 64 HZ3 LYS 64 49.434 22.701 23.285 376 H ASP 65 H ASP 65 52.418 18.484 23.458 377 HA ASP 65 HA ASP 65 52.550 16.284 21.541 378 HB3 ASP 65 HB2 ASP 65 52.413 14.577 23.254 379 H ASN 66 H ASN 66 50.602 14.664 22.502 380 HA ASN 66 HA ASN 66 48.279 16.210 23.252 381 HB3 ASN 66 HB2 ASN 66 47.861 14.687 20.739 382 HD21 ASN 66 HD21 ASN 66 45.938 15.175 19.911 383 HD22 ASN 66 HD22 ASN 66 44.915 16.457 20.457 384 H ALA 67 H ALA 67 46.266 14.521 22.704 385 HA ALA 67 HA ALA 67 47.080 11.860 23.629 386 HB1 ALA 67 HB1 ALA 67 46.173 12.060 25.646 387 HB2 ALA 67 HB2 ALA 67 45.955 13.782 25.326 388 HB3 ALA 67 HB3 ALA 67 44.657 12.646 24.962 389 H GLU 68 H GLU 68 44.655 10.695 23.973 390 HA GLU 68 HA GLU 68 43.262 11.106 21.412 391 HB3 GLU 68 HB2 GLU 68 44.121 8.506 22.678 392 HG3 GLU 68 HG2 GLU 68 41.905 8.089 21.901 393 H GLY 69 H GLY 69 42.789 8.915 24.179 394 HA2 GLY 69 HA2 GLY 69 41.079 8.847 25.742 395 HA3 GLY 69 HA3 GLY 69 40.461 10.354 25.083 396 H GLN 70 H GLN 70 38.653 8.506 25.799 397 HA GLN 70 HA GLN 70 37.532 7.728 23.218 398 HB3 GLN 70 HB2 GLN 70 36.824 5.610 24.888 399 HG3 GLN 70 HG2 GLN 70 38.899 5.785 22.722 400 HE21 GLN 70 HE21 GLN 70 37.982 3.296 21.664 401 HE22 GLN 70 HE22 GLN 70 38.643 2.044 22.652 402 H GLY 71 H GLY 71 36.672 7.038 26.606 403 HA2 GLY 71 HA2 GLY 71 34.810 7.582 27.835 404 HA3 GLY 71 HA3 GLY 71 34.714 9.039 26.856 405 H GLU 72 H GLU 72 32.387 8.019 27.652 406 HA GLU 72 HA GLU 72 31.234 6.030 26.043 407 HB3 GLU 72 HB2 GLU 72 30.178 6.737 28.103 408 HG3 GLU 72 HG2 GLU 72 30.527 9.374 27.066 409 H SER 73 H SER 73 29.055 6.857 24.795 410 HA SER 73 HA SER 73 29.782 9.006 22.949 411 HB3 SER 73 HB2 SER 73 29.804 7.728 21.040 412 HG SER 73 HG SER 73 30.732 5.600 21.597 413 H LEU 74 H LEU 74 28.107 10.287 23.603 414 HA LEU 74 HA LEU 74 25.528 9.534 24.252 415 HB3 LEU 74 HB2 LEU 74 26.491 12.068 22.936 416 HG LEU 74 HG LEU 74 24.095 12.096 22.721 417 HD11 LEU 74 HD11 LEU 74 23.187 10.545 24.141 418 HD12 LEU 74 HD12 LEU 74 22.817 12.034 25.010 419 HD13 LEU 74 HD13 LEU 74 24.188 11.041 25.505 420 HD21 LEU 74 HD21 LEU 74 23.959 14.210 23.419 421 HD22 LEU 74 HD22 LEU 74 25.586 13.984 24.064 422 HD23 LEU 74 HD23 LEU 74 24.184 13.753 25.109 423 H ALA 75 H ALA 75 27.007 9.872 21.123 424 HA ALA 75 HA ALA 75 24.793 10.146 19.474 425 HB1 ALA 75 HB1 ALA 75 26.548 10.236 18.100 426 HB2 ALA 75 HB2 ALA 75 27.550 9.258 19.174 427 HB3 ALA 75 HB3 ALA 75 26.444 8.476 18.044 428 H ASP 76 H ASP 76 26.177 7.224 20.909 429 HA ASP 76 HA ASP 76 24.408 5.426 19.581 430 HB3 ASP 76 HB2 ASP 76 25.509 4.529 22.153 431 H GLN 77 H GLN 77 24.301 7.231 22.571 432 HA GLN 77 HA GLN 77 22.070 5.804 23.667 433 HB3 GLN 77 HB2 GLN 77 23.428 8.396 24.376 434 HG3 GLN 77 HG2 GLN 77 21.082 8.653 24.987 435 HE21 GLN 77 HE21 GLN 77 19.239 7.973 26.023 436 HE22 GLN 77 HE22 GLN 77 18.997 6.343 26.538 437 H ALA 78 H ALA 78 22.508 8.614 21.640 438 HA ALA 78 HA ALA 78 19.843 9.605 21.901 439 HB1 ALA 78 HB1 ALA 78 20.676 10.647 19.549 440 HB2 ALA 78 HB2 ALA 78 21.084 11.317 21.130 441 HB3 ALA 78 HB3 ALA 78 22.224 10.257 20.301 442 H ARG 79 H ARG 79 21.467 7.386 19.710 443 HA ARG 79 HA ARG 79 19.336 7.219 17.827 444 HB3 ARG 79 HB2 ARG 79 21.759 5.524 18.384 445 HG3 ARG 79 HG2 ARG 79 20.046 3.995 17.547 446 HD3 ARG 79 HD2 ARG 79 19.698 6.164 15.540 447 HE ARG 79 HE ARG 79 20.190 3.672 14.565 448 HH11 ARG 79 HH11 ARG 79 17.376 5.717 14.724 449 HH12 ARG 79 HH12 ARG 79 16.675 5.085 13.271 450 HH21 ARG 79 HH21 ARG 79 19.277 2.833 12.652 451 HH22 ARG 79 HH22 ARG 79 17.756 3.445 12.094 452 H ASP 80 H ASP 80 20.420 5.092 20.466 453 HA ASP 80 HA ASP 80 18.461 3.123 20.183 454 HB3 ASP 80 HB2 ASP 80 19.225 3.684 22.960 455 H TYR 81 H TYR 81 18.398 6.205 21.880 456 HA TYR 81 HA TYR 81 15.842 5.721 23.102 457 HB3 TYR 81 HB2 TYR 81 17.191 8.399 22.750 458 HD1 TYR 81 HD1 TYR 81 15.223 6.223 25.069 459 HD2 TYR 81 HD2 TYR 81 16.052 10.165 23.701 460 HE1 TYR 81 HE1 TYR 81 13.457 7.099 26.541 461 HE2 TYR 81 HE2 TYR 81 14.289 11.051 25.169 462 HH TYR 81 HH TYR 81 12.905 9.283 27.656 463 H MET 82 H MET 82 17.029 7.372 20.233 464 HA MET 82 HA MET 82 14.592 8.653 19.556 465 HB3 MET 82 HB2 MET 82 15.779 8.475 17.169 466 HG3 MET 82 HG2 MET 82 17.472 10.293 18.228 467 HE1 MET 82 HE1 MET 82 14.572 13.188 18.206 468 HE2 MET 82 HE2 MET 82 13.691 11.813 18.873 469 HE3 MET 82 HE3 MET 82 15.295 12.214 19.487 470 H GLY 83 H GLY 83 16.147 5.719 18.242 471 HA2 GLY 83 HA2 GLY 83 14.118 4.965 16.496 472 HA3 GLY 83 HA3 GLY 83 15.249 3.853 17.253 473 H ALA 84 H ALA 84 14.347 4.535 19.962 474 HA ALA 84 HA ALA 84 12.219 2.632 20.140 475 HB1 ALA 84 HB1 ALA 84 13.630 4.324 22.188 476 HB2 ALA 84 HB2 ALA 84 12.315 3.222 22.598 477 HB3 ALA 84 HB3 ALA 84 13.805 2.594 21.892 478 H ALA 85 H ALA 85 12.427 6.082 19.996 479 HA ALA 85 HA ALA 85 9.850 6.610 21.136 480 HB1 ALA 85 HB1 ALA 85 11.673 8.266 21.157 481 HB2 ALA 85 HB2 ALA 85 11.556 8.392 19.402 482 HB3 ALA 85 HB3 ALA 85 10.200 8.892 20.413 483 H LYS 86 H LYS 86 11.123 6.099 17.902 484 HA LYS 86 HA LYS 86 8.865 6.967 16.456 485 HB3 LYS 86 HB2 LYS 86 9.808 5.503 14.628 486 HG3 LYS 86 HG2 LYS 86 11.037 7.795 15.835 487 HD3 LYS 86 HD2 LYS 86 12.826 5.593 15.105 488 HE3 LYS 86 HE2 LYS 86 12.743 7.925 13.425 489 HZ1 LYS 86 HZ1 LYS 86 14.917 8.712 13.607 490 HZ2 LYS 86 HZ2 LYS 86 15.398 7.462 14.641 491 HZ3 LYS 86 HZ3 LYS 86 14.363 8.676 15.206 492 H SER 87 H SER 87 9.898 3.664 17.321 493 HA SER 87 HA SER 87 7.615 2.359 16.355 494 HB3 SER 87 HB2 SER 87 8.967 1.231 18.753 495 HG SER 87 HG SER 87 9.149 -0.472 16.957 496 H LYS 88 H LYS 88 8.368 3.623 19.579 497 HA LYS 88 HA LYS 88 6.019 2.716 20.847 498 HB3 LYS 88 HB2 LYS 88 6.553 4.627 22.476 499 HG3 LYS 88 HG2 LYS 88 8.633 3.593 23.313 500 HD3 LYS 88 HD2 LYS 88 7.280 1.135 22.717 501 HE3 LYS 88 HE2 LYS 88 6.869 2.771 25.190 502 HZ1 LYS 88 HZ1 LYS 88 5.882 0.705 25.391 503 HZ2 LYS 88 HZ2 LYS 88 7.393 0.453 26.112 504 HZ3 LYS 88 HZ3 LYS 88 7.105 -0.094 24.536 505 H LEU 89 H LEU 89 6.838 5.904 19.484 506 HA LEU 89 HA LEU 89 4.472 7.226 20.004 507 HB3 LEU 89 HB2 LEU 89 6.230 7.465 17.565 508 HG LEU 89 HG LEU 89 4.303 8.752 17.047 509 HD11 LEU 89 HD11 LEU 89 3.918 10.651 18.976 510 HD12 LEU 89 HD12 LEU 89 4.254 9.207 19.930 511 HD13 LEU 89 HD13 LEU 89 2.937 9.201 18.758 512 HD21 LEU 89 HD21 LEU 89 5.634 11.083 18.052 513 HD22 LEU 89 HD22 LEU 89 5.554 10.467 16.401 514 HD23 LEU 89 HD23 LEU 89 6.823 9.908 17.491 515 H ASN 90 H ASN 90 5.301 5.437 17.031 516 HA ASN 90 HA ASN 90 2.835 5.718 15.759 517 HB3 ASN 90 HB2 ASN 90 4.110 3.143 15.238 518 HD21 ASN 90 HD21 ASN 90 3.917 2.676 13.132 519 HD22 ASN 90 HD22 ASN 90 3.329 3.773 11.933 520 H ASP 91 H ASP 91 3.844 3.603 18.319 521 HA ASP 91 HA ASP 91 1.736 1.703 18.066 522 HB3 ASP 91 HB2 ASP 91 2.647 1.881 20.773 523 H ALA 92 H ALA 92 2.139 4.723 19.814 524 HA ALA 92 HA ALA 92 -0.338 4.436 21.264 525 HB1 ALA 92 HB1 ALA 92 0.585 5.964 22.577 526 HB2 ALA 92 HB2 ALA 92 1.962 6.057 21.479 527 HB3 ALA 92 HB3 ALA 92 0.583 7.134 21.257 528 H VAL 93 H VAL 93 0.838 6.414 18.558 529 HA VAL 93 HA VAL 93 -1.409 7.960 18.100 530 HB VAL 93 HB VAL 93 0.330 6.795 15.925 531 HG11 VAL 93 HG11 VAL 93 -1.127 9.431 16.046 532 HG12 VAL 93 HG12 VAL 93 -0.255 8.754 14.669 533 HG13 VAL 93 HG13 VAL 93 -1.741 7.991 15.235 534 HG21 VAL 93 HG21 VAL 93 1.050 8.492 18.115 535 HG22 VAL 93 HG22 VAL 93 2.062 7.871 16.811 536 HG23 VAL 93 HG23 VAL 93 1.188 9.389 16.602 537 H GLU 94 H GLU 94 -0.616 4.849 16.544 538 HA GLU 94 HA GLU 94 -2.883 4.518 15.025 539 HB3 GLU 94 HB2 GLU 94 -2.221 1.984 16.177 540 HG3 GLU 94 HG2 GLU 94 -0.808 2.277 13.781 541 H TYR 95 H TYR 95 -2.455 3.938 18.467 542 HA TYR 95 HA TYR 95 -5.024 2.716 18.822 543 HB3 TYR 95 HB2 TYR 95 -3.216 3.938 20.917 544 HD1 TYR 95 HD1 TYR 95 -5.409 4.594 22.053 545 HD2 TYR 95 HD2 TYR 95 -4.320 0.557 21.267 546 HE1 TYR 95 HE1 TYR 95 -7.028 3.835 23.742 547 HE2 TYR 95 HE2 TYR 95 -5.938 -0.214 22.953 548 HH TYR 95 HH TYR 95 -7.153 1.542 25.271 549 H VAL 96 H VAL 96 -3.670 5.943 19.302 550 HA VAL 96 HA VAL 96 -5.932 7.093 20.536 551 HB VAL 96 HB VAL 96 -3.867 8.498 18.837 552 HG11 VAL 96 HG11 VAL 96 -4.487 10.489 19.972 553 HG12 VAL 96 HG12 VAL 96 -5.984 9.737 19.415 554 HG13 VAL 96 HG13 VAL 96 -5.506 9.604 21.107 555 HG21 VAL 96 HG21 VAL 96 -3.620 7.158 21.369 556 HG22 VAL 96 HG22 VAL 96 -2.380 7.949 20.396 557 HG23 VAL 96 HG23 VAL 96 -3.321 8.887 21.555 558 H SER 97 H SER 97 -4.832 7.171 17.149 559 HA SER 97 HA SER 97 -6.971 8.647 16.121 560 HB3 SER 97 HB2 SER 97 -6.055 6.685 14.209 561 HG SER 97 HG SER 97 -5.022 8.762 13.447 562 H GLY 98 H GLY 98 -6.680 5.251 16.895 563 HA2 GLY 98 HA2 GLY 98 -9.075 4.476 15.498 564 HA3 GLY 98 HA3 GLY 98 -8.147 3.483 16.612 565 H ARG 99 H ARG 99 -8.349 5.749 18.626 566 HA ARG 99 HA ARG 99 -10.862 4.853 19.775 567 HB3 ARG 99 HB2 ARG 99 -9.807 6.656 21.558 568 HG3 ARG 99 HG2 ARG 99 -8.502 4.445 22.352 569 HD3 ARG 99 HD2 ARG 99 -11.498 4.735 22.488 570 HE ARG 99 HE ARG 99 -9.667 3.074 23.937 571 HH11 ARG 99 HH11 ARG 99 -12.669 4.826 24.120 572 HH12 ARG 99 HH12 ARG 99 -13.319 3.841 25.386 573 HH21 ARG 99 HH21 ARG 99 -10.511 1.767 25.606 574 HH22 ARG 99 HH22 ARG 99 -12.090 2.100 26.232 575 H VAL 100 H VAL 100 -9.303 7.941 18.940 576 HA VAL 100 HA VAL 100 -11.304 9.690 19.670 577 HB VAL 100 HB VAL 100 -9.479 9.882 17.270 578 HG11 VAL 100 HG11 VAL 100 -10.588 11.719 16.703 579 HG12 VAL 100 HG12 VAL 100 -11.653 11.555 18.100 580 HG13 VAL 100 HG13 VAL 100 -10.132 12.434 18.249 581 HG21 VAL 100 HG21 VAL 100 -7.940 9.973 18.909 582 HG22 VAL 100 HG22 VAL 100 -8.523 11.625 19.112 583 HG23 VAL 100 HG23 VAL 100 -9.136 10.340 20.152 584 H HIS 101 H HIS 101 -10.992 7.828 16.678 585 HA HIS 101 HA HIS 101 -12.489 7.293 15.050 586 HB3 HIS 101 HB2 HIS 101 -14.664 8.256 16.906 587 HD1 HIS 101 HD1 HIS 101 -14.151 4.977 15.089 588 HD2 HIS 101 HD2 HIS 101 -16.704 8.253 15.088 589 HE1 HIS 101 HE1 HIS 101 -16.018 4.374 13.515 590 H GLY 102 H GLY 102 -14.089 8.227 13.520 591 HA2 GLY 102 HA2 GLY 102 -15.270 10.514 13.191 592 HA3 GLY 102 HA3 GLY 102 -13.626 11.121 13.300 593 H GLU 103 H GLU 103 -15.482 8.638 11.538 594 HA GLU 103 HA GLU 103 -14.541 9.680 9.016 595 HB3 GLU 103 HB2 GLU 103 -13.968 6.784 9.325 596 HG3 GLU 103 HG2 GLU 103 -12.435 9.011 8.003 597 H GLU 104 H GLU 104 -15.813 9.061 7.288 598 HA GLU 104 HA GLU 104 -17.721 8.401 6.240 599 HB3 GLU 104 HB2 GLU 104 -18.252 5.986 7.748 600 HG3 GLU 104 HG2 GLU 104 -17.068 5.262 5.360 601 H ASP 105 H ASP 105 -20.043 7.357 6.807 602 HA ASP 105 HA ASP 105 -21.378 9.257 8.349 603 HB3 ASP 105 HB2 ASP 105 -23.146 7.194 8.356 604 HA PRO 106 HA PRO 106 -21.141 7.947 12.527 605 HB3 PRO 106 HB2 PRO 106 -22.516 9.708 13.060 606 HG3 PRO 106 HG2 PRO 106 -24.284 10.312 11.675 607 HD3 PRO 106 HD2 PRO 106 -22.582 10.210 10.125 608 H THR 107 H THR 107 -22.470 6.629 14.240 609 HA THR 107 HA THR 107 -23.977 4.423 13.118 610 HB THR 107 HB THR 107 -22.043 3.141 14.740 611 HG1 THR 107 HG1 THR 107 -20.796 4.532 12.599 612 HG21 THR 107 HG21 THR 107 -21.587 1.874 12.702 613 HG22 THR 107 HG22 THR 107 -22.416 3.100 11.743 614 HG23 THR 107 HG23 THR 107 -23.320 2.128 12.903 615 H LYS 108 H LYS 108 -24.378 2.751 14.996 616 HA LYS 108 HA LYS 108 -24.905 4.280 17.460 617 HB3 LYS 108 HB2 LYS 108 -26.658 2.040 16.469 618 HG3 LYS 108 HG2 LYS 108 -27.246 4.373 18.281 619 HD3 LYS 108 HD2 LYS 108 -28.886 2.182 17.105 620 HE3 LYS 108 HE2 LYS 108 -28.797 2.813 19.929 621 HZ1 LYS 108 HZ1 LYS 108 -31.557 2.706 19.138 622 HZ2 LYS 108 HZ2 LYS 108 -30.802 4.155 18.701 623 HZ3 LYS 108 HZ3 LYS 108 -30.808 3.660 20.318 624 H LYS 109 H LYS 109 -24.898 3.090 19.431 625 HA LYS 109 HA LYS 109 -23.899 1.674 20.912 626 HB3 LYS 109 HB2 LYS 109 -24.245 -0.601 19.011 627 HG3 LYS 109 HG2 LYS 109 -24.534 -0.143 21.928 628 HD3 LYS 109 HD2 LYS 109 -26.274 -1.908 20.274 629 HE3 LYS 109 HE2 LYS 109 -26.162 -2.762 23.033 630 HZ1 LYS 109 HZ1 LYS 109 -27.230 -4.167 21.560 631 HZ2 LYS 109 HZ2 LYS 109 -25.746 -4.945 21.788 632 HZ3 LYS 109 HZ3 LYS 109 -26.023 -4.045 20.381 Start of MODEL 10 1 H1 MET 1 H MET 1 20.612 -12.209 30.608 2 HA MET 1 HA MET 1 21.902 -11.389 28.279 3 HB3 MET 1 HB2 MET 1 23.868 -12.285 30.388 4 HG3 MET 1 HG2 MET 1 24.109 -12.300 27.634 5 HE1 MET 1 HE1 MET 1 26.775 -10.071 26.060 6 HE2 MET 1 HE2 MET 1 26.236 -11.727 26.335 7 HE3 MET 1 HE3 MET 1 25.177 -10.583 25.509 8 H SER 2 H SER 2 21.607 -13.818 30.792 9 HA SER 2 HA SER 2 21.676 -15.898 28.704 10 HB3 SER 2 HB2 SER 2 22.834 -15.875 31.471 11 HG SER 2 HG SER 2 21.783 -17.745 31.664 12 H ASP 3 H ASP 3 20.723 -15.865 32.130 13 HA ASP 3 HA ASP 3 17.956 -15.879 31.741 14 HB3 ASP 3 HB2 ASP 3 18.310 -18.603 32.556 15 H ALA 4 H ALA 4 20.665 -17.055 33.650 16 HA ALA 4 HA ALA 4 19.460 -17.512 36.089 17 HB1 ALA 4 HB1 ALA 4 21.660 -16.864 37.090 18 HB2 ALA 4 HB2 ALA 4 21.763 -18.046 35.784 19 HB3 ALA 4 HB3 ALA 4 22.175 -16.358 35.481 20 H GLY 5 H GLY 5 19.282 -16.210 38.008 21 HA2 GLY 5 HA2 GLY 5 18.333 -13.530 37.393 22 HA3 GLY 5 HA3 GLY 5 18.129 -14.386 38.915 23 H ARG 6 H ARG 6 21.309 -14.568 37.838 24 HA ARG 6 HA ARG 6 22.341 -13.131 40.014 25 HB3 ARG 6 HB2 ARG 6 24.220 -13.230 37.827 26 HG3 ARG 6 HG2 ARG 6 24.536 -15.349 39.745 27 HD3 ARG 6 HD2 ARG 6 26.590 -14.123 40.262 28 HE ARG 6 HE ARG 6 25.958 -14.917 37.618 29 HH11 ARG 6 HH11 ARG 6 28.349 -13.204 39.479 30 HH12 ARG 6 HH12 ARG 6 29.642 -13.549 38.379 31 HH21 ARG 6 HH21 ARG 6 27.652 -15.378 36.161 32 HH22 ARG 6 HH22 ARG 6 29.245 -14.784 36.492 33 H LYS 7 H LYS 7 24.320 -11.490 39.157 34 HA LYS 7 HA LYS 7 24.782 -9.344 38.558 35 HB3 LYS 7 HB2 LYS 7 23.918 -8.504 36.483 36 HG3 LYS 7 HG2 LYS 7 24.253 -10.311 34.925 37 HD3 LYS 7 HD2 LYS 7 26.008 -10.616 37.362 38 HE3 LYS 7 HE2 LYS 7 26.518 -11.327 34.474 39 HZ1 LYS 7 HZ1 LYS 7 28.669 -11.493 34.965 40 HZ2 LYS 7 HZ2 LYS 7 28.381 -12.236 36.456 41 HZ3 LYS 7 HZ3 LYS 7 28.341 -10.549 36.329 42 H GLY 8 H GLY 8 23.313 -7.180 37.850 43 HA2 GLY 8 HA2 GLY 8 21.945 -5.553 38.716 44 HA3 GLY 8 HA3 GLY 8 20.822 -6.854 39.084 45 H PHE 9 H PHE 9 20.627 -7.580 41.156 46 HA PHE 9 HA PHE 9 21.890 -5.937 43.197 47 HB3 PHE 9 HB2 PHE 9 20.147 -7.985 44.247 48 HD1 PHE 9 HD1 PHE 9 20.731 -6.831 46.293 49 HD2 PHE 9 HD2 PHE 9 18.800 -4.796 43.093 50 HE1 PHE 9 HE1 PHE 9 20.180 -4.974 47.812 51 HE2 PHE 9 HE2 PHE 9 18.248 -2.935 44.604 52 HZ PHE 9 HZ PHE 9 18.939 -3.022 46.967 53 H GLY 10 H GLY 10 22.090 -9.125 41.884 54 HA2 GLY 10 HA2 GLY 10 23.152 -10.559 44.025 55 HA3 GLY 10 HA3 GLY 10 23.498 -10.881 42.333 56 H GLU 11 H GLU 11 24.973 -8.895 41.446 57 HA GLU 11 HA GLU 11 27.519 -9.354 42.423 58 HB3 GLU 11 HB2 GLU 11 27.450 -6.718 41.330 59 HG3 GLU 11 HG2 GLU 11 27.971 -8.804 39.395 60 H LYS 12 H LYS 12 25.439 -6.530 43.042 61 HA LYS 12 HA LYS 12 27.175 -5.201 44.788 62 HB3 LYS 12 HB2 LYS 12 25.282 -3.882 45.447 63 HG3 LYS 12 HG2 LYS 12 24.186 -4.463 42.805 64 HD3 LYS 12 HD2 LYS 12 25.721 -2.010 43.475 65 HE3 LYS 12 HE2 LYS 12 23.411 -2.821 41.839 66 HZ1 LYS 12 HZ1 LYS 12 22.381 -0.688 41.884 67 HZ2 LYS 12 HZ2 LYS 12 23.515 -0.086 42.983 68 HZ3 LYS 12 HZ3 LYS 12 22.412 -1.271 43.472 69 H ALA 13 H ALA 13 24.598 -7.548 45.445 70 HA ALA 13 HA ALA 13 24.597 -7.498 48.208 71 HB1 ALA 13 HB1 ALA 13 22.951 -8.886 47.574 72 HB2 ALA 13 HB2 ALA 13 23.824 -9.433 46.143 73 HB3 ALA 13 HB3 ALA 13 24.184 -10.138 47.718 74 H SER 14 H SER 14 26.565 -9.593 46.099 75 HA SER 14 HA SER 14 28.005 -10.843 48.159 76 HB3 SER 14 HB2 SER 14 29.688 -10.685 45.885 77 HG SER 14 HG SER 14 29.491 -12.773 46.093 78 H GLU 15 H GLU 15 28.373 -7.751 46.620 79 HA GLU 15 HA GLU 15 31.059 -7.304 47.538 80 HB3 GLU 15 HB2 GLU 15 30.483 -4.890 46.864 81 HG3 GLU 15 HG2 GLU 15 29.934 -6.191 44.390 82 H ALA 16 H ALA 16 27.820 -6.516 48.647 83 HA ALA 16 HA ALA 16 28.543 -4.675 50.659 84 HB1 ALA 16 HB1 ALA 16 26.278 -4.737 49.939 85 HB2 ALA 16 HB2 ALA 16 26.130 -6.447 50.346 86 HB3 ALA 16 HB3 ALA 16 26.299 -5.247 51.627 87 H LEU 17 H LEU 17 28.147 -8.188 50.678 88 HA LEU 17 HA LEU 17 28.637 -8.421 53.498 89 HB3 LEU 17 HB2 LEU 17 27.249 -10.060 52.434 90 HG LEU 17 HG LEU 17 28.685 -9.993 50.193 91 HD11 LEU 17 HD11 LEU 17 29.557 -12.666 51.065 92 HD12 LEU 17 HD12 LEU 17 30.464 -11.306 51.726 93 HD13 LEU 17 HD13 LEU 17 30.332 -11.512 49.980 94 HD21 LEU 17 HD21 LEU 17 27.695 -12.563 50.099 95 HD22 LEU 17 HD22 LEU 17 26.798 -11.089 49.734 96 HD23 LEU 17 HD23 LEU 17 26.717 -11.794 51.350 97 H LYS 18 H LYS 18 30.516 -8.843 50.542 98 HA LYS 18 HA LYS 18 32.802 -10.025 51.539 99 HB3 LYS 18 HB2 LYS 18 33.744 -8.149 49.705 100 HG3 LYS 18 HG2 LYS 18 32.547 -10.534 48.496 101 HD3 LYS 18 HD2 LYS 18 35.088 -10.845 48.032 102 HE3 LYS 18 HE2 LYS 18 34.057 -8.322 46.835 103 HZ1 LYS 18 HZ1 LYS 18 34.653 -10.535 45.128 104 HZ2 LYS 18 HZ2 LYS 18 35.952 -10.157 46.143 105 HZ3 LYS 18 HZ3 LYS 18 35.299 -8.971 45.128 106 HA PRO 19 HA PRO 19 34.857 -7.153 54.144 107 HB3 PRO 19 HB2 PRO 19 36.543 -8.699 54.359 108 HG3 PRO 19 HG2 PRO 19 37.226 -9.989 52.549 109 HD3 PRO 19 HD2 PRO 19 34.949 -10.324 52.438 110 H ASP 20 H ASP 20 33.806 -5.360 52.886 111 HA ASP 20 HA ASP 20 34.939 -4.019 50.754 112 HB3 ASP 20 HB2 ASP 20 33.733 -2.037 51.528 113 H SER 21 H SER 21 36.249 -2.121 50.620 114 HA SER 21 HA SER 21 38.414 -2.149 52.570 115 HB3 SER 21 HB2 SER 21 39.603 -1.946 50.675 116 HG SER 21 HG SER 21 38.552 -2.161 48.874 117 H GLN 22 H GLN 22 36.955 0.541 50.755 118 HA GLN 22 HA GLN 22 36.014 1.913 53.049 119 HB3 GLN 22 HB2 GLN 22 38.025 2.674 53.756 120 HG3 GLN 22 HG2 GLN 22 38.991 2.032 51.016 121 HE21 GLN 22 HE21 GLN 22 39.467 4.191 50.349 122 HE22 GLN 22 HE22 GLN 22 40.873 4.997 50.947 123 H LYS 23 H LYS 23 37.691 3.205 50.197 124 HA LYS 23 HA LYS 23 35.294 4.678 49.473 125 HB3 LYS 23 HB2 LYS 23 37.122 5.254 47.522 126 HG3 LYS 23 HG2 LYS 23 37.877 7.150 49.062 127 HD3 LYS 23 HD2 LYS 23 35.514 6.712 47.615 128 HE3 LYS 23 HE2 LYS 23 34.967 8.208 50.177 129 HZ1 LYS 23 HZ1 LYS 23 33.469 9.189 48.860 130 HZ2 LYS 23 HZ2 LYS 23 32.615 7.732 48.969 131 HZ3 LYS 23 HZ3 LYS 23 33.612 8.031 47.635 132 H SER 24 H SER 24 33.975 2.907 48.824 133 HA SER 24 HA SER 24 34.269 2.258 46.037 134 HB3 SER 24 HB2 SER 24 34.442 -0.097 46.200 135 HG SER 24 HG SER 24 36.452 -0.077 46.799 136 H TYR 25 H TYR 25 32.449 0.250 45.772 137 HA TYR 25 HA TYR 25 30.010 1.507 45.805 138 HB3 TYR 25 HB2 TYR 25 29.330 -1.163 46.104 139 HD1 TYR 25 HD1 TYR 25 30.949 1.153 43.677 140 HD2 TYR 25 HD2 TYR 25 27.942 -1.785 44.335 141 HE1 TYR 25 HE1 TYR 25 30.038 1.592 41.435 142 HE2 TYR 25 HE2 TYR 25 27.023 -1.356 42.094 143 HH TYR 25 HH TYR 25 27.399 1.164 40.405 144 H ALA 26 H ALA 26 31.543 -0.333 48.364 145 HA ALA 26 HA ALA 26 29.431 -0.812 50.071 146 HB1 ALA 26 HB1 ALA 26 31.877 0.130 51.401 147 HB2 ALA 26 HB2 ALA 26 31.000 -1.392 51.574 148 HB3 ALA 26 HB3 ALA 26 32.111 -1.162 50.222 149 H GLU 27 H GLU 27 31.382 2.143 49.789 150 HA GLU 27 HA GLU 27 29.886 3.521 51.816 151 HB3 GLU 27 HB2 GLU 27 31.248 5.417 50.260 152 HG3 GLU 27 HG2 GLU 27 32.802 5.570 52.069 153 H GLN 28 H GLN 28 29.888 3.389 48.302 154 HA GLN 28 HA GLN 28 28.276 5.579 47.732 155 HB3 GLN 28 HB2 GLN 28 27.721 4.439 45.641 156 HG3 GLN 28 HG2 GLN 28 30.536 3.627 46.259 157 HE21 GLN 28 HE21 GLN 28 31.584 5.280 44.273 158 HE22 GLN 28 HE22 GLN 28 31.063 4.691 42.735 159 H GLY 29 H GLY 29 27.288 2.200 48.300 160 HA2 GLY 29 HA2 GLY 29 24.524 2.621 48.074 161 HA3 GLY 29 HA3 GLY 29 25.281 1.303 48.955 162 H LYS 30 H LYS 30 26.528 2.469 51.015 163 HA LYS 30 HA LYS 30 24.564 2.893 52.900 164 HB3 LYS 30 HB2 LYS 30 26.343 3.821 54.338 165 HG3 LYS 30 HG2 LYS 30 26.995 1.417 52.683 166 HD3 LYS 30 HD2 LYS 30 28.612 2.477 55.001 167 HE3 LYS 30 HE2 LYS 30 28.395 -0.146 53.694 168 HZ1 LYS 30 HZ1 LYS 30 30.634 1.034 53.012 169 HZ2 LYS 30 HZ2 LYS 30 30.586 -0.605 53.430 170 HZ3 LYS 30 HZ3 LYS 30 31.098 0.542 54.564 171 H GLU 31 H GLU 31 26.601 5.415 51.405 172 HA GLU 31 HA GLU 31 25.253 7.597 52.540 173 HB3 GLU 31 HB2 GLU 31 26.337 8.944 50.789 174 HG3 GLU 31 HG2 GLU 31 28.708 8.129 51.062 175 H TYR 32 H TYR 32 24.509 5.595 49.806 176 HA TYR 32 HA TYR 32 22.746 7.343 48.460 177 HB3 TYR 32 HB2 TYR 32 22.659 4.321 48.504 178 HD1 TYR 32 HD1 TYR 32 20.270 4.219 48.046 179 HD2 TYR 32 HD2 TYR 32 22.881 6.478 45.558 180 HE1 TYR 32 HE1 TYR 32 18.514 4.347 46.330 181 HE2 TYR 32 HE2 TYR 32 21.130 6.613 43.835 182 HH TYR 32 HH TYR 32 18.237 6.375 44.129 183 H ILE 33 H ILE 33 22.190 4.812 50.885 184 HA ILE 33 HA ILE 33 19.370 5.155 50.971 185 HB ILE 33 HB ILE 33 20.984 4.078 53.264 186 HG13 ILE 33 HG12 ILE 33 21.994 2.866 51.555 187 HG21 ILE 33 HG21 ILE 33 18.353 3.146 52.139 188 HG22 ILE 33 HG22 ILE 33 19.072 2.742 53.697 189 HG23 ILE 33 HG23 ILE 33 18.487 4.378 53.393 190 HD11 ILE 33 HD11 ILE 33 19.617 1.095 51.614 191 HD12 ILE 33 HD12 ILE 33 21.330 0.702 51.758 192 HD13 ILE 33 HD13 ILE 33 20.469 1.408 53.125 193 H THR 34 H THR 34 21.999 6.259 53.099 194 HA THR 34 HA THR 34 20.545 7.550 55.044 195 HB THR 34 HB THR 34 22.491 9.063 55.335 196 HG1 THR 34 HG1 THR 34 24.252 8.813 53.898 197 HG21 THR 34 HG21 THR 34 23.265 6.186 54.835 198 HG22 THR 34 HG22 THR 34 22.488 6.791 56.299 199 HG23 THR 34 HG23 THR 34 24.111 7.332 55.873 200 H ASP 35 H ASP 35 21.701 8.935 51.974 201 HA ASP 35 HA ASP 35 20.676 11.503 52.296 202 HB3 ASP 35 HB2 ASP 35 20.547 10.385 49.561 203 H LYS 36 H LYS 36 19.112 8.544 51.245 204 HA LYS 36 HA LYS 36 16.715 9.775 50.323 205 HB3 LYS 36 HB2 LYS 36 15.786 7.485 50.375 206 HG3 LYS 36 HG2 LYS 36 17.980 6.409 49.188 207 HD3 LYS 36 HD2 LYS 36 16.660 8.426 47.524 208 HE3 LYS 36 HE2 LYS 36 17.166 5.492 47.524 209 HZ1 LYS 36 HZ1 LYS 36 15.524 4.968 46.106 210 HZ2 LYS 36 HZ2 LYS 36 15.519 6.483 45.354 211 HZ3 LYS 36 HZ3 LYS 36 14.715 6.267 46.827 212 H ALA 37 H ALA 37 17.674 8.234 53.366 213 HA ALA 37 HA ALA 37 15.150 8.495 54.629 214 HB1 ALA 37 HB1 ALA 37 17.804 8.338 56.037 215 HB2 ALA 37 HB2 ALA 37 16.227 7.798 56.616 216 HB3 ALA 37 HB3 ALA 37 17.023 6.939 55.299 217 H ASP 38 H ASP 38 17.799 10.666 54.131 218 HA ASP 38 HA ASP 38 17.027 12.507 56.209 219 HB3 ASP 38 HB2 ASP 38 18.732 13.558 54.068 220 H LYS 39 H LYS 39 16.702 12.304 52.696 221 HA LYS 39 HA LYS 39 15.491 14.844 52.357 222 HB3 LYS 39 HB2 LYS 39 14.564 13.376 50.245 223 HG3 LYS 39 HG2 LYS 39 17.259 13.910 49.621 224 HD3 LYS 39 HD2 LYS 39 14.593 15.109 49.094 225 HE3 LYS 39 HE2 LYS 39 16.757 16.489 47.713 226 HZ1 LYS 39 HZ1 LYS 39 15.353 18.424 48.498 227 HZ2 LYS 39 HZ2 LYS 39 14.276 17.277 49.118 228 HZ3 LYS 39 HZ3 LYS 39 14.601 17.322 47.458 229 H VAL 40 H VAL 40 14.146 11.566 52.619 230 HA VAL 40 HA VAL 40 11.445 12.275 52.340 231 HB VAL 40 HB VAL 40 12.168 9.961 52.157 232 HG11 VAL 40 HG11 VAL 40 13.308 8.810 53.727 233 HG12 VAL 40 HG12 VAL 40 13.745 10.423 54.296 234 HG13 VAL 40 HG13 VAL 40 12.420 9.545 55.062 235 HG21 VAL 40 HG21 VAL 40 9.849 10.346 52.727 236 HG22 VAL 40 HG22 VAL 40 10.430 8.902 53.558 237 HG23 VAL 40 HG23 VAL 40 10.251 10.419 54.442 238 H ALA 41 H ALA 41 13.556 12.156 55.158 239 HA ALA 41 HA ALA 41 11.454 12.656 57.043 240 HB1 ALA 41 HB1 ALA 41 14.436 12.530 57.193 241 HB2 ALA 41 HB2 ALA 41 13.509 13.189 58.541 242 HB3 ALA 41 HB3 ALA 41 13.229 11.532 58.005 243 H GLY 42 H GLY 42 13.962 14.614 55.478 244 HA2 GLY 42 HA2 GLY 42 13.342 17.011 56.882 245 HA3 GLY 42 HA3 GLY 42 14.287 16.890 55.406 246 H LYS 43 H LYS 43 12.176 15.583 53.894 247 HA LYS 43 HA LYS 43 10.883 17.883 52.880 248 HB3 LYS 43 HB2 LYS 43 9.418 15.875 51.823 249 HG3 LYS 43 HG2 LYS 43 11.061 15.674 50.023 250 HD3 LYS 43 HD2 LYS 43 11.241 18.544 50.757 251 HE3 LYS 43 HE2 LYS 43 9.836 18.262 48.413 252 HZ1 LYS 43 HZ1 LYS 43 12.551 18.237 47.774 253 HZ2 LYS 43 HZ2 LYS 43 12.389 19.110 49.214 254 HZ3 LYS 43 HZ3 LYS 43 11.512 19.569 47.843 255 H VAL 44 H VAL 44 10.058 15.634 55.362 256 HA VAL 44 HA VAL 44 7.290 16.612 55.434 257 HB VAL 44 HB VAL 44 7.493 14.191 55.459 258 HG11 VAL 44 HG11 VAL 44 8.602 13.011 57.275 259 HG12 VAL 44 HG12 VAL 44 9.745 14.046 56.420 260 HG13 VAL 44 HG13 VAL 44 9.103 14.544 57.984 261 HG21 VAL 44 HG21 VAL 44 5.838 13.910 56.960 262 HG22 VAL 44 HG22 VAL 44 6.769 14.618 58.278 263 HG23 VAL 44 HG23 VAL 44 5.947 15.663 57.120 264 H GLN 45 H GLN 45 6.419 17.546 57.279 265 HA GLN 45 HA GLN 45 6.443 18.981 59.052 266 HB3 GLN 45 HB2 GLN 45 8.515 17.098 60.179 267 HG3 GLN 45 HG2 GLN 45 6.508 17.785 62.038 268 HE21 GLN 45 HE21 GLN 45 8.532 16.226 62.383 269 HE22 GLN 45 HE22 GLN 45 9.810 16.959 63.283 270 HA PRO 46 HA PRO 46 10.391 20.991 57.601 271 HB3 PRO 46 HB2 PRO 46 9.401 21.800 55.691 272 HG3 PRO 46 HG2 PRO 46 7.094 22.058 55.555 273 HD3 PRO 46 HD2 PRO 46 7.203 19.893 56.335 274 H GLU 47 H GLU 47 10.592 23.681 57.922 275 HA GLU 47 HA GLU 47 10.946 23.995 60.674 276 HB3 GLU 47 HB2 GLU 47 10.839 26.568 59.833 277 HG3 GLU 47 HG2 GLU 47 13.075 24.642 59.245 278 H ASP 48 H ASP 48 8.154 24.428 58.710 279 HA ASP 48 HA ASP 48 6.036 25.158 59.127 280 HB3 ASP 48 HB2 ASP 48 6.311 24.785 62.054 281 H ASN 49 H ASN 49 4.802 26.499 61.139 282 HA ASN 49 HA ASN 49 5.453 29.146 60.701 283 HB3 ASN 49 HB2 ASN 49 4.214 28.320 63.305 284 HD21 ASN 49 HD21 ASN 49 3.789 30.154 64.277 285 HD22 ASN 49 HD22 ASN 49 3.244 31.609 63.522 286 H LYS 50 H LYS 50 6.646 26.948 63.160 287 HA LYS 50 HA LYS 50 8.468 29.068 64.094 288 HB3 LYS 50 HB2 LYS 50 7.041 28.533 65.916 289 HG3 LYS 50 HG2 LYS 50 7.385 25.893 66.600 290 HD3 LYS 50 HD2 LYS 50 4.953 25.994 65.249 291 HE3 LYS 50 HE2 LYS 50 5.597 25.363 67.666 292 HZ1 LYS 50 HZ1 LYS 50 4.779 27.233 69.186 293 HZ2 LYS 50 HZ2 LYS 50 5.146 28.270 67.901 294 HZ3 LYS 50 HZ3 LYS 50 6.363 27.326 68.600 295 H GLY 51 H GLY 51 10.316 28.701 63.003 296 HA2 GLY 51 HA2 GLY 51 11.592 26.088 63.405 297 HA3 GLY 51 HA3 GLY 51 11.450 26.708 61.765 298 H VAL 52 H VAL 52 11.855 29.163 64.056 299 HA VAL 52 HA VAL 52 14.321 30.005 62.989 300 HB VAL 52 HB VAL 52 13.119 30.789 65.646 301 HG11 VAL 52 HG11 VAL 52 15.086 32.221 63.861 302 HG12 VAL 52 HG12 VAL 52 14.404 32.848 65.364 303 HG13 VAL 52 HG13 VAL 52 15.461 31.436 65.396 304 HG21 VAL 52 HG21 VAL 52 12.004 32.575 64.502 305 HG22 VAL 52 HG22 VAL 52 12.767 32.138 62.973 306 HG23 VAL 52 HG23 VAL 52 11.578 31.061 63.703 307 H PHE 53 H PHE 53 13.527 27.813 65.539 308 HA PHE 53 HA PHE 53 16.218 27.874 66.651 309 HB3 PHE 53 HB2 PHE 53 14.857 25.770 67.850 310 HD1 PHE 53 HD1 PHE 53 13.806 29.242 68.504 311 HD2 PHE 53 HD2 PHE 53 16.480 26.095 69.539 312 HE1 PHE 53 HE1 PHE 53 14.513 30.502 70.496 313 HE2 PHE 53 HE2 PHE 53 17.190 27.351 71.532 314 HZ PHE 53 HZ PHE 53 16.206 29.556 72.013 315 H GLN 54 H GLN 54 14.033 25.470 65.189 316 HA GLN 54 HA GLN 54 15.863 23.369 65.044 317 HB3 GLN 54 HB2 GLN 54 14.234 23.070 62.806 318 HG3 GLN 54 HG2 GLN 54 12.730 22.099 64.941 319 HE21 GLN 54 HE21 GLN 54 15.689 21.440 63.113 320 HE22 GLN 54 HE22 GLN 54 15.170 19.918 62.483 321 H GLY 55 H GLY 55 15.530 26.217 63.096 322 HA2 GLY 55 HA2 GLY 55 16.707 25.474 60.707 323 HA3 GLY 55 HA3 GLY 55 16.863 27.067 61.431 324 H VAL 56 H VAL 56 18.207 25.911 63.821 325 HA VAL 56 HA VAL 56 20.859 26.312 63.069 326 HB VAL 56 HB VAL 56 19.993 26.441 65.405 327 HG11 VAL 56 HG11 VAL 56 20.470 23.619 65.970 328 HG12 VAL 56 HG12 VAL 56 19.171 24.681 66.515 329 HG13 VAL 56 HG13 VAL 56 19.069 23.897 64.937 330 HG21 VAL 56 HG21 VAL 56 22.477 26.035 64.598 331 HG22 VAL 56 HG22 VAL 56 22.060 26.078 66.311 332 HG23 VAL 56 HG23 VAL 56 22.269 24.531 65.493 333 H HIS 57 H HIS 57 18.886 23.485 62.865 334 HA HIS 57 HA HIS 57 21.170 21.714 62.499 335 HB3 HIS 57 HB2 HIS 57 18.228 21.052 62.286 336 HD1 HIS 57 HD1 HIS 57 17.843 18.445 62.832 337 HD2 HIS 57 HD2 HIS 57 21.706 19.555 61.783 338 HE1 HIS 57 HE1 HIS 57 19.011 16.307 62.208 339 H ASP 58 H ASP 58 18.816 23.447 60.641 340 HA ASP 58 HA ASP 58 18.811 22.006 58.261 341 HB3 ASP 58 HB2 ASP 58 18.832 24.912 57.885 342 H SER 59 H SER 59 21.270 23.989 59.668 343 HA SER 59 HA SER 59 22.751 24.737 57.437 344 HB3 SER 59 HB2 SER 59 23.057 25.018 60.138 345 HG SER 59 HG SER 59 25.320 24.130 60.326 346 H ALA 60 H ALA 60 22.387 21.636 58.943 347 HA ALA 60 HA ALA 60 24.693 20.457 57.679 348 HB1 ALA 60 HB1 ALA 60 22.424 18.912 58.887 349 HB2 ALA 60 HB2 ALA 60 24.133 18.481 58.785 350 HB3 ALA 60 HB3 ALA 60 23.607 19.748 59.894 351 H GLU 61 H GLU 61 21.353 20.938 56.910 352 HA GLU 61 HA GLU 61 20.832 18.895 55.126 353 HB3 GLU 61 HB2 GLU 61 19.917 21.609 54.346 354 HG3 GLU 61 HG2 GLU 61 19.026 19.214 53.649 355 H LYS 62 H LYS 62 22.855 21.702 54.737 356 HA LYS 62 HA LYS 62 23.061 21.910 51.992 357 HB3 LYS 62 HB2 LYS 62 25.673 22.267 52.955 358 HG3 LYS 62 HG2 LYS 62 24.765 24.726 53.239 359 HD3 LYS 62 HD2 LYS 62 25.716 23.152 51.058 360 HE3 LYS 62 HE2 LYS 62 23.318 24.739 50.490 361 HZ1 LYS 62 HZ1 LYS 62 24.448 25.217 48.197 362 HZ2 LYS 62 HZ2 LYS 62 25.855 25.296 49.134 363 HZ3 LYS 62 HZ3 LYS 62 24.560 26.334 49.465 364 H GLY 63 H GLY 63 23.998 20.766 50.393 365 HA2 GLY 63 HA2 GLY 63 26.012 19.318 49.881 366 HA3 GLY 63 HA3 GLY 63 25.414 18.299 51.182 367 H LYS 64 H LYS 64 25.156 19.129 47.865 368 HA LYS 64 HA LYS 64 23.499 16.809 47.382 369 HB3 LYS 64 HB2 LYS 64 22.413 19.129 45.956 370 HG3 LYS 64 HG2 LYS 64 20.715 17.490 47.721 371 HD3 LYS 64 HD2 LYS 64 19.979 17.404 44.990 372 HE3 LYS 64 HE2 LYS 64 18.768 19.425 46.780 373 HZ1 LYS 64 HZ1 LYS 64 17.929 18.234 44.576 374 HZ2 LYS 64 HZ2 LYS 64 16.870 18.785 45.773 375 HZ3 LYS 64 HZ3 LYS 64 17.300 17.150 45.713 376 H ASP 65 H ASP 65 23.303 16.325 45.062 377 HA ASP 65 HA ASP 65 24.967 17.770 43.211 378 HB3 ASP 65 HB2 ASP 65 26.305 15.597 42.726 379 H ASN 66 H ASN 66 25.237 16.173 41.153 380 HA ASN 66 HA ASN 66 22.858 14.569 40.729 381 HB3 ASN 66 HB2 ASN 66 22.348 15.908 38.601 382 HD21 ASN 66 HD21 ASN 66 22.178 18.696 40.196 383 HD22 ASN 66 HD22 ASN 66 20.708 18.473 41.078 384 H ALA 67 H ALA 67 25.053 16.265 38.505 385 HA ALA 67 HA ALA 67 26.532 15.512 36.947 386 HB1 ALA 67 HB1 ALA 67 27.222 14.222 39.203 387 HB2 ALA 67 HB2 ALA 67 26.857 12.845 38.161 388 HB3 ALA 67 HB3 ALA 67 28.070 14.026 37.668 389 H GLU 68 H GLU 68 26.838 13.889 35.215 390 HA GLU 68 HA GLU 68 24.824 11.893 34.800 391 HB3 GLU 68 HB2 GLU 68 23.642 14.054 34.251 392 HG3 GLU 68 HG2 GLU 68 25.289 14.054 31.745 393 H GLY 69 H GLY 69 27.771 12.292 34.778 394 HA2 GLY 69 HA2 GLY 69 29.584 11.521 33.600 395 HA3 GLY 69 HA3 GLY 69 28.436 10.531 32.713 396 H GLN 70 H GLN 70 30.513 11.305 31.295 397 HA GLN 70 HA GLN 70 29.430 12.718 29.142 398 HB3 GLN 70 HB2 GLN 70 29.564 14.748 30.323 399 HG3 GLN 70 HG2 GLN 70 32.258 13.833 31.277 400 HE21 GLN 70 HE21 GLN 70 32.380 15.627 33.370 401 HE22 GLN 70 HE22 GLN 70 32.699 17.206 32.748 402 H GLY 71 H GLY 71 30.495 12.023 27.405 403 HA2 GLY 71 HA2 GLY 71 33.004 12.104 26.613 404 HA3 GLY 71 HA3 GLY 71 33.127 10.803 27.789 405 H GLU 72 H GLU 72 31.056 9.230 27.442 406 HA GLU 72 HA GLU 72 31.614 7.723 25.194 407 HB3 GLU 72 HB2 GLU 72 29.057 6.988 25.651 408 HG3 GLU 72 HG2 GLU 72 31.600 6.293 26.977 409 H SER 73 H SER 73 30.728 7.504 23.164 410 HA SER 73 HA SER 73 29.864 9.813 21.854 411 HB3 SER 73 HB2 SER 73 30.010 8.568 19.957 412 HG SER 73 HG SER 73 31.813 7.754 20.869 413 H LEU 74 H LEU 74 28.068 10.802 22.633 414 HA LEU 74 HA LEU 74 25.756 9.620 23.599 415 HB3 LEU 74 HB2 LEU 74 26.114 12.253 22.179 416 HG LEU 74 HG LEU 74 23.712 11.721 22.257 417 HD11 LEU 74 HD11 LEU 74 23.404 11.970 25.121 418 HD12 LEU 74 HD12 LEU 74 24.333 10.535 24.686 419 HD13 LEU 74 HD13 LEU 74 22.722 10.782 24.011 420 HD21 LEU 74 HD21 LEU 74 24.029 13.995 22.352 421 HD22 LEU 74 HD22 LEU 74 24.882 13.924 23.894 422 HD23 LEU 74 HD23 LEU 74 23.130 13.717 23.845 423 H ALA 75 H ALA 75 26.805 10.091 20.325 424 HA ALA 75 HA ALA 75 24.443 9.991 18.901 425 HB1 ALA 75 HB1 ALA 75 26.163 8.428 17.405 426 HB2 ALA 75 HB2 ALA 75 26.014 10.184 17.335 427 HB3 ALA 75 HB3 ALA 75 27.240 9.443 18.365 428 H ASP 76 H ASP 76 26.088 7.437 20.616 429 HA ASP 76 HA ASP 76 24.571 5.305 19.430 430 HB3 ASP 76 HB2 ASP 76 25.837 4.846 22.060 431 H GLN 77 H GLN 77 24.380 7.244 22.362 432 HA GLN 77 HA GLN 77 22.260 5.707 23.523 433 HB3 GLN 77 HB2 GLN 77 22.125 8.114 24.790 434 HG3 GLN 77 HG2 GLN 77 24.381 6.880 25.916 435 HE21 GLN 77 HE21 GLN 77 20.877 6.325 25.740 436 HE22 GLN 77 HE22 GLN 77 20.569 6.662 27.404 437 H ALA 78 H ALA 78 22.479 8.382 21.324 438 HA ALA 78 HA ALA 78 19.802 9.316 21.643 439 HB1 ALA 78 HB1 ALA 78 20.689 9.996 19.067 440 HB2 ALA 78 HB2 ALA 78 20.691 11.006 20.514 441 HB3 ALA 78 HB3 ALA 78 22.110 10.041 20.108 442 H ARG 79 H ARG 79 21.406 7.236 19.244 443 HA ARG 79 HA ARG 79 19.193 6.771 17.607 444 HB3 ARG 79 HB2 ARG 79 20.572 4.431 17.405 445 HG3 ARG 79 HG2 ARG 79 22.179 5.880 15.877 446 HD3 ARG 79 HD2 ARG 79 19.277 5.228 15.480 447 HE ARG 79 HE ARG 79 20.826 6.875 13.740 448 HH11 ARG 79 HH11 ARG 79 18.455 4.327 13.818 449 HH12 ARG 79 HH12 ARG 79 17.792 4.718 12.266 450 HH21 ARG 79 HH21 ARG 79 19.963 7.400 11.695 451 HH22 ARG 79 HH22 ARG 79 18.650 6.466 11.059 452 H ASP 80 H ASP 80 20.035 5.473 20.710 453 HA ASP 80 HA ASP 80 18.279 3.210 20.578 454 HB3 ASP 80 HB2 ASP 80 18.968 4.208 23.253 455 H TYR 81 H TYR 81 18.118 6.450 21.996 456 HA TYR 81 HA TYR 81 15.538 6.069 23.157 457 HB3 TYR 81 HB2 TYR 81 16.983 8.646 22.503 458 HD1 TYR 81 HD1 TYR 81 14.337 7.005 24.543 459 HD2 TYR 81 HD2 TYR 81 16.018 10.664 23.170 460 HE1 TYR 81 HE1 TYR 81 12.436 8.233 25.508 461 HE2 TYR 81 HE2 TYR 81 14.122 11.903 24.131 462 HH TYR 81 HH TYR 81 11.386 10.862 24.778 463 H MET 82 H MET 82 16.727 7.514 20.160 464 HA MET 82 HA MET 82 14.267 8.559 19.270 465 HB3 MET 82 HB2 MET 82 15.525 8.097 16.944 466 HG3 MET 82 HG2 MET 82 16.971 10.162 17.479 467 HE1 MET 82 HE1 MET 82 13.062 12.001 18.343 468 HE2 MET 82 HE2 MET 82 14.278 11.318 19.421 469 HE3 MET 82 HE3 MET 82 14.664 12.731 18.440 470 H GLY 83 H GLY 83 15.941 5.545 18.336 471 HA2 GLY 83 HA2 GLY 83 13.928 4.524 16.694 472 HA3 GLY 83 HA3 GLY 83 15.127 3.554 17.537 473 H ALA 84 H ALA 84 14.226 4.488 20.179 474 HA ALA 84 HA ALA 84 12.113 2.551 20.531 475 HB1 ALA 84 HB1 ALA 84 12.373 3.332 22.982 476 HB2 ALA 84 HB2 ALA 84 13.685 2.424 22.230 477 HB3 ALA 84 HB3 ALA 84 13.803 4.177 22.390 478 H ALA 85 H ALA 85 12.460 6.029 20.519 479 HA ALA 85 HA ALA 85 9.880 6.558 21.660 480 HB1 ALA 85 HB1 ALA 85 11.468 8.515 20.031 481 HB2 ALA 85 HB2 ALA 85 10.361 8.827 21.367 482 HB3 ALA 85 HB3 ALA 85 11.933 8.089 21.679 483 H LYS 86 H LYS 86 11.235 6.473 18.394 484 HA LYS 86 HA LYS 86 8.970 7.433 17.031 485 HB3 LYS 86 HB2 LYS 86 11.045 7.375 15.867 486 HG3 LYS 86 HG2 LYS 86 11.605 5.042 17.165 487 HD3 LYS 86 HD2 LYS 86 10.212 4.203 14.929 488 HE3 LYS 86 HE2 LYS 86 13.109 3.604 14.419 489 HZ1 LYS 86 HZ1 LYS 86 11.818 3.457 12.094 490 HZ2 LYS 86 HZ2 LYS 86 10.572 3.011 13.147 491 HZ3 LYS 86 HZ3 LYS 86 12.021 2.138 13.134 492 H SER 87 H SER 87 10.034 4.105 17.703 493 HA SER 87 HA SER 87 7.848 2.835 16.461 494 HB3 SER 87 HB2 SER 87 9.125 1.520 18.805 495 HG SER 87 HG SER 87 9.362 -0.102 17.072 496 H LYS 88 H LYS 88 8.422 3.794 19.825 497 HA LYS 88 HA LYS 88 6.045 2.721 20.890 498 HB3 LYS 88 HB2 LYS 88 6.457 4.515 22.700 499 HG3 LYS 88 HG2 LYS 88 8.475 3.405 23.576 500 HD3 LYS 88 HD2 LYS 88 7.265 0.974 22.814 501 HE3 LYS 88 HE2 LYS 88 6.082 1.350 25.075 502 HZ1 LYS 88 HZ1 LYS 88 8.949 1.678 25.465 503 HZ2 LYS 88 HZ2 LYS 88 8.465 0.367 24.513 504 HZ3 LYS 88 HZ3 LYS 88 7.895 0.516 26.099 505 H LEU 89 H LEU 89 6.834 6.041 19.868 506 HA LEU 89 HA LEU 89 4.418 7.259 20.400 507 HB3 LEU 89 HB2 LEU 89 6.264 7.751 18.068 508 HG LEU 89 HG LEU 89 4.332 9.035 17.574 509 HD11 LEU 89 HD11 LEU 89 2.878 9.288 19.253 510 HD12 LEU 89 HD12 LEU 89 3.799 10.741 19.638 511 HD13 LEU 89 HD13 LEU 89 4.140 9.231 20.483 512 HD21 LEU 89 HD21 LEU 89 6.794 10.209 18.253 513 HD22 LEU 89 HD22 LEU 89 5.541 11.301 18.842 514 HD23 LEU 89 HD23 LEU 89 5.569 10.825 17.143 515 H ASN 90 H ASN 90 5.404 5.760 17.318 516 HA ASN 90 HA ASN 90 2.974 6.097 15.984 517 HB3 ASN 90 HB2 ASN 90 4.423 3.621 15.331 518 HD21 ASN 90 HD21 ASN 90 5.725 5.304 13.184 519 HD22 ASN 90 HD22 ASN 90 4.457 5.584 12.044 520 H ASP 91 H ASP 91 3.960 3.778 18.371 521 HA ASP 91 HA ASP 91 1.924 1.852 17.865 522 HB3 ASP 91 HB2 ASP 91 3.057 2.147 20.603 523 H ALA 92 H ALA 92 2.161 4.717 19.883 524 HA ALA 92 HA ALA 92 -0.355 4.224 21.208 525 HB1 ALA 92 HB1 ALA 92 0.471 5.652 22.689 526 HB2 ALA 92 HB2 ALA 92 1.883 5.884 21.657 527 HB3 ALA 92 HB3 ALA 92 0.480 6.937 21.479 528 H VAL 93 H VAL 93 0.855 6.477 18.742 529 HA VAL 93 HA VAL 93 -1.425 7.989 18.338 530 HB VAL 93 HB VAL 93 0.433 7.085 16.137 531 HG11 VAL 93 HG11 VAL 93 -0.170 9.133 15.043 532 HG12 VAL 93 HG12 VAL 93 -1.651 8.275 15.476 533 HG13 VAL 93 HG13 VAL 93 -1.116 9.652 16.437 534 HG21 VAL 93 HG21 VAL 93 1.011 8.592 18.500 535 HG22 VAL 93 HG22 VAL 93 2.091 8.129 17.184 536 HG23 VAL 93 HG23 VAL 93 1.173 9.631 17.084 537 H GLU 94 H GLU 94 -0.468 5.060 16.537 538 HA GLU 94 HA GLU 94 -2.664 4.801 14.904 539 HB3 GLU 94 HB2 GLU 94 -1.960 2.195 15.846 540 HG3 GLU 94 HG2 GLU 94 -0.468 2.797 13.540 541 H TYR 95 H TYR 95 -2.347 3.920 18.293 542 HA TYR 95 HA TYR 95 -4.885 2.593 18.429 543 HB3 TYR 95 HB2 TYR 95 -3.200 3.671 20.699 544 HD1 TYR 95 HD1 TYR 95 -5.457 4.152 21.797 545 HD2 TYR 95 HD2 TYR 95 -4.200 0.239 20.696 546 HE1 TYR 95 HE1 TYR 95 -7.112 3.191 23.343 547 HE2 TYR 95 HE2 TYR 95 -5.852 -0.733 22.238 548 HH TYR 95 HH TYR 95 -7.818 1.311 24.348 549 H VAL 96 H VAL 96 -3.660 5.801 19.257 550 HA VAL 96 HA VAL 96 -6.004 6.763 20.497 551 HB VAL 96 HB VAL 96 -3.926 8.382 19.019 552 HG11 VAL 96 HG11 VAL 96 -6.102 9.497 19.620 553 HG12 VAL 96 HG12 VAL 96 -5.685 9.224 21.312 554 HG13 VAL 96 HG13 VAL 96 -4.656 10.240 20.302 555 HG21 VAL 96 HG21 VAL 96 -3.728 6.821 21.424 556 HG22 VAL 96 HG22 VAL 96 -2.479 7.737 20.579 557 HG23 VAL 96 HG23 VAL 96 -3.496 8.533 21.782 558 H SER 97 H SER 97 -4.781 7.186 17.177 559 HA SER 97 HA SER 97 -6.929 8.688 16.204 560 HB3 SER 97 HB2 SER 97 -5.877 6.939 14.160 561 HG SER 97 HG SER 97 -6.384 8.928 13.507 562 H GLY 98 H GLY 98 -6.553 5.244 16.674 563 HA2 GLY 98 HA2 GLY 98 -8.868 4.529 15.119 564 HA3 GLY 98 HA3 GLY 98 -7.948 3.466 16.174 565 H ARG 99 H ARG 99 -8.300 5.529 18.376 566 HA ARG 99 HA ARG 99 -10.823 4.456 19.337 567 HB3 ARG 99 HB2 ARG 99 -9.896 6.116 21.318 568 HG3 ARG 99 HG2 ARG 99 -8.548 3.881 21.959 569 HD3 ARG 99 HD2 ARG 99 -11.522 3.730 22.032 570 HE ARG 99 HE ARG 99 -9.612 2.463 23.482 571 HH11 ARG 99 HH11 ARG 99 -12.138 4.726 24.270 572 HH12 ARG 99 HH12 ARG 99 -12.368 4.110 25.873 573 HH21 ARG 99 HH21 ARG 99 -9.906 1.644 25.591 574 HH22 ARG 99 HH22 ARG 99 -11.098 2.357 26.624 575 H VAL 100 H VAL 100 -9.338 7.651 18.852 576 HA VAL 100 HA VAL 100 -11.423 9.267 19.658 577 HB VAL 100 HB VAL 100 -9.518 9.734 17.360 578 HG11 VAL 100 HG11 VAL 100 -10.666 11.583 16.920 579 HG12 VAL 100 HG12 VAL 100 -11.776 11.257 18.253 580 HG13 VAL 100 HG13 VAL 100 -10.290 12.163 18.542 581 HG21 VAL 100 HG21 VAL 100 -8.044 9.719 19.060 582 HG22 VAL 100 HG22 VAL 100 -8.689 11.326 19.391 583 HG23 VAL 100 HG23 VAL 100 -9.295 9.932 20.284 584 H HIS 101 H HIS 101 -10.826 8.040 16.364 585 HA HIS 101 HA HIS 101 -13.562 7.597 15.821 586 HB3 HIS 101 HB2 HIS 101 -12.848 9.671 13.927 587 HD1 HIS 101 HD1 HIS 101 -14.925 11.718 15.189 588 HD2 HIS 101 HD2 HIS 101 -15.521 7.646 14.618 589 HE1 HIS 101 HE1 HIS 101 -17.419 11.411 15.083 590 H GLY 102 H GLY 102 -10.544 8.604 14.207 591 HA2 GLY 102 HA2 GLY 102 -9.230 7.356 12.746 592 HA3 GLY 102 HA3 GLY 102 -10.425 6.071 12.812 593 H GLU 103 H GLU 103 -9.800 9.279 11.447 594 HA GLU 103 HA GLU 103 -11.213 8.438 9.024 595 HB3 GLU 103 HB2 GLU 103 -12.175 10.794 8.894 596 HG3 GLU 103 HG2 GLU 103 -13.289 9.367 11.271 597 H GLU 104 H GLU 104 -9.191 10.934 10.538 598 HA GLU 104 HA GLU 104 -7.321 12.008 9.803 599 HB3 GLU 104 HB2 GLU 104 -6.779 10.833 7.283 600 HG3 GLU 104 HG2 GLU 104 -5.244 11.453 9.282 601 H ASP 105 H ASP 105 -8.730 11.131 6.661 602 HA ASP 105 HA ASP 105 -9.553 12.388 4.952 603 HB3 ASP 105 HB2 ASP 105 -10.299 14.837 6.043 604 HA PRO 106 HA PRO 106 -6.357 15.022 3.512 605 HB3 PRO 106 HB2 PRO 106 -7.371 14.971 1.452 606 HG3 PRO 106 HG2 PRO 106 -9.688 15.018 1.253 607 HD3 PRO 106 HD2 PRO 106 -9.456 13.329 2.805 608 H THR 107 H THR 107 -5.559 17.239 3.423 609 HA THR 107 HA THR 107 -6.024 18.676 5.769 610 HB THR 107 HB THR 107 -4.910 20.603 4.319 611 HG1 THR 107 HG1 THR 107 -4.870 19.816 2.308 612 HG21 THR 107 HG21 THR 107 -2.680 19.357 4.668 613 HG22 THR 107 HG22 THR 107 -3.669 18.081 5.375 614 HG23 THR 107 HG23 THR 107 -3.673 19.695 6.084 615 H LYS 108 H LYS 108 -7.103 19.370 2.449 616 HA LYS 108 HA LYS 108 -9.237 21.043 3.591 617 HB3 LYS 108 HB2 LYS 108 -7.651 21.622 1.083 618 HG3 LYS 108 HG2 LYS 108 -10.074 22.896 2.255 619 HD3 LYS 108 HD2 LYS 108 -8.902 24.650 0.353 620 HE3 LYS 108 HE2 LYS 108 -9.485 24.868 3.300 621 HZ1 LYS 108 HZ1 LYS 108 -8.685 26.921 3.323 622 HZ2 LYS 108 HZ2 LYS 108 -9.440 27.325 1.864 623 HZ3 LYS 108 HZ3 LYS 108 -7.917 26.587 1.853 624 H LYS 109 H LYS 109 -10.587 19.174 3.419 625 HA LYS 109 HA LYS 109 -11.933 17.640 2.362 626 HB3 LYS 109 HB2 LYS 109 -13.047 19.899 2.116 627 HG3 LYS 109 HG2 LYS 109 -11.980 19.651 -0.686 628 HD3 LYS 109 HD2 LYS 109 -14.492 20.293 -0.303 629 HE3 LYS 109 HE2 LYS 109 -13.162 22.311 1.182 630 HZ1 LYS 109 HZ1 LYS 109 -13.671 24.273 0.131 631 HZ2 LYS 109 HZ2 LYS 109 -14.803 23.569 -0.909 632 HZ3 LYS 109 HZ3 LYS 109 -13.149 23.336 -1.178 Start of MODEL 11 1 H1 MET 1 H MET 1 19.579 29.519 44.790 2 HA MET 1 HA MET 1 22.040 29.295 43.581 3 HB3 MET 1 HB2 MET 1 20.737 27.101 42.241 4 HG3 MET 1 HG2 MET 1 23.340 27.326 43.728 5 HE1 MET 1 HE1 MET 1 24.158 24.660 44.711 6 HE2 MET 1 HE2 MET 1 25.082 24.191 43.282 7 HE3 MET 1 HE3 MET 1 25.020 25.884 43.777 8 H SER 2 H SER 2 21.529 28.697 40.982 9 HA SER 2 HA SER 2 20.613 29.518 39.069 10 HB3 SER 2 HB2 SER 2 18.221 29.752 38.933 11 HG SER 2 HG SER 2 18.085 27.848 40.861 12 H ASP 3 H ASP 3 22.203 31.291 39.937 13 HA ASP 3 HA ASP 3 20.717 33.830 40.109 14 HB3 ASP 3 HB2 ASP 3 22.252 33.083 42.063 15 H ALA 4 H ALA 4 23.143 32.001 38.447 16 HA ALA 4 HA ALA 4 24.559 33.933 37.079 17 HB1 ALA 4 HB1 ALA 4 24.588 32.141 35.199 18 HB2 ALA 4 HB2 ALA 4 25.339 31.783 36.756 19 HB3 ALA 4 HB3 ALA 4 23.737 31.146 36.382 20 H GLY 5 H GLY 5 21.987 32.102 35.439 21 HA2 GLY 5 HA2 GLY 5 20.453 34.361 34.697 22 HA3 GLY 5 HA3 GLY 5 21.578 33.965 33.406 23 H ARG 6 H ARG 6 19.398 33.715 32.317 24 HA ARG 6 HA ARG 6 18.263 31.050 32.821 25 HB3 ARG 6 HB2 ARG 6 16.266 31.786 31.729 26 HG3 ARG 6 HG2 ARG 6 17.255 33.173 33.983 27 HD3 ARG 6 HD2 ARG 6 16.208 34.914 31.851 28 HE ARG 6 HE ARG 6 14.641 34.722 34.142 29 HH11 ARG 6 HH11 ARG 6 16.395 37.157 32.376 30 HH12 ARG 6 HH12 ARG 6 15.342 38.447 32.853 31 HH21 ARG 6 HH21 ARG 6 13.249 36.413 34.778 32 HH22 ARG 6 HH22 ARG 6 13.553 38.024 34.221 33 H LYS 7 H LYS 7 18.848 29.477 31.494 34 HA LYS 7 HA LYS 7 18.789 29.618 28.705 35 HB3 LYS 7 HB2 LYS 7 20.721 30.967 28.676 36 HG3 LYS 7 HG2 LYS 7 22.766 29.559 29.948 37 HD3 LYS 7 HD2 LYS 7 21.276 31.999 30.914 38 HE3 LYS 7 HE2 LYS 7 23.580 30.602 31.893 39 HZ1 LYS 7 HZ1 LYS 7 24.817 32.895 32.076 40 HZ2 LYS 7 HZ2 LYS 7 24.083 33.167 30.576 41 HZ3 LYS 7 HZ3 LYS 7 25.114 31.841 30.787 42 H GLY 8 H GLY 8 18.502 27.597 28.011 43 HA2 GLY 8 HA2 GLY 8 18.778 25.303 27.833 44 HA3 GLY 8 HA3 GLY 8 20.020 25.391 29.072 45 H PHE 9 H PHE 9 18.921 26.196 31.286 46 HA PHE 9 HA PHE 9 17.292 24.023 32.103 47 HB3 PHE 9 HB2 PHE 9 17.234 26.248 33.955 48 HD1 PHE 9 HD1 PHE 9 16.101 23.575 34.081 49 HD2 PHE 9 HD2 PHE 9 20.010 24.926 35.086 50 HE1 PHE 9 HE1 PHE 9 16.338 21.704 35.661 51 HE2 PHE 9 HE2 PHE 9 20.254 23.058 36.666 52 HZ PHE 9 HZ PHE 9 18.417 21.443 36.956 53 H GLY 10 H GLY 10 16.619 27.214 30.945 54 HA2 GLY 10 HA2 GLY 10 14.103 27.700 32.031 55 HA3 GLY 10 HA3 GLY 10 14.644 28.278 30.463 56 H GLU 11 H GLU 11 14.808 26.191 28.874 57 HA GLU 11 HA GLU 11 12.209 25.589 28.150 58 HB3 GLU 11 HB2 GLU 11 13.883 23.432 27.318 59 HG3 GLU 11 HG2 GLU 11 13.744 25.629 25.444 60 H LYS 12 H LYS 12 14.510 23.495 29.886 61 HA LYS 12 HA LYS 12 12.786 21.326 30.264 62 HB3 LYS 12 HB2 LYS 12 14.337 20.556 31.922 63 HG3 LYS 12 HG2 LYS 12 16.372 22.047 30.453 64 HD3 LYS 12 HD2 LYS 12 15.827 19.150 30.080 65 HE3 LYS 12 HE2 LYS 12 18.391 19.357 30.821 66 HZ1 LYS 12 HZ1 LYS 12 17.226 18.747 28.567 67 HZ2 LYS 12 HZ2 LYS 12 18.888 19.056 28.635 68 HZ3 LYS 12 HZ3 LYS 12 17.828 20.257 28.093 69 H ALA 13 H ALA 13 13.413 24.150 32.316 70 HA ALA 13 HA ALA 13 11.918 23.470 34.539 71 HB1 ALA 13 HB1 ALA 13 11.462 26.149 34.362 72 HB2 ALA 13 HB2 ALA 13 12.926 25.413 35.015 73 HB3 ALA 13 HB3 ALA 13 12.886 25.960 33.340 74 H SER 14 H SER 14 10.805 25.261 31.662 75 HA SER 14 HA SER 14 8.121 25.483 32.460 76 HB3 SER 14 HB2 SER 14 8.230 25.322 29.619 77 HG SER 14 HG SER 14 8.092 27.390 31.531 78 H GLU 15 H GLU 15 9.903 22.879 31.010 79 HA GLU 15 HA GLU 15 7.585 21.412 30.147 80 HB3 GLU 15 HB2 GLU 15 9.326 19.530 29.935 81 HG3 GLU 15 HG2 GLU 15 10.566 21.500 28.282 82 H ALA 16 H ALA 16 9.662 21.478 32.972 83 HA ALA 16 HA ALA 16 8.790 19.071 34.156 84 HB1 ALA 16 HB1 ALA 16 9.826 21.544 35.537 85 HB2 ALA 16 HB2 ALA 16 9.778 19.910 36.199 86 HB3 ALA 16 HB3 ALA 16 10.830 20.275 34.831 87 H LEU 17 H LEU 17 7.812 22.442 34.794 88 HA LEU 17 HA LEU 17 5.806 21.861 36.653 89 HB3 LEU 17 HB2 LEU 17 6.733 24.097 36.305 90 HG LEU 17 HG LEU 17 6.471 23.909 33.667 91 HD11 LEU 17 HD11 LEU 17 3.845 24.062 34.312 92 HD12 LEU 17 HD12 LEU 17 4.527 24.580 32.770 93 HD13 LEU 17 HD13 LEU 17 4.226 25.763 34.043 94 HD21 LEU 17 HD21 LEU 17 7.686 25.653 34.845 95 HD22 LEU 17 HD22 LEU 17 6.171 26.456 35.260 96 HD23 LEU 17 HD23 LEU 17 6.683 26.353 33.574 97 H LYS 18 H LYS 18 5.694 22.106 33.133 98 HA LYS 18 HA LYS 18 2.885 21.862 32.882 99 HB3 LYS 18 HB2 LYS 18 3.985 20.794 30.557 100 HG3 LYS 18 HG2 LYS 18 3.957 23.696 30.527 101 HD3 LYS 18 HD2 LYS 18 2.536 21.439 29.162 102 HE3 LYS 18 HE2 LYS 18 0.803 23.093 29.487 103 HZ1 LYS 18 HZ1 LYS 18 1.310 25.227 29.656 104 HZ2 LYS 18 HZ2 LYS 18 1.741 25.261 28.022 105 HZ3 LYS 18 HZ3 LYS 18 2.911 24.932 29.198 106 HA PRO 19 HA PRO 19 2.097 17.576 33.387 107 HB3 PRO 19 HB2 PRO 19 -0.101 18.017 32.877 108 HG3 PRO 19 HG2 PRO 19 -0.662 19.563 31.234 109 HD3 PRO 19 HD2 PRO 19 0.826 20.819 32.468 110 H ASP 20 H ASP 20 1.619 15.535 31.791 111 HA ASP 20 HA ASP 20 3.024 15.323 29.386 112 HB3 ASP 20 HB2 ASP 20 4.731 13.774 31.124 113 H SER 21 H SER 21 3.921 12.760 29.366 114 HA SER 21 HA SER 21 1.559 11.262 29.239 115 HB3 SER 21 HB2 SER 21 3.764 10.828 28.028 116 HG SER 21 HG SER 21 5.353 10.460 29.359 117 H GLN 22 H GLN 22 1.832 8.864 30.370 118 HA GLN 22 HA GLN 22 1.092 9.329 33.071 119 HB3 GLN 22 HB2 GLN 22 1.274 6.718 33.116 120 HG3 GLN 22 HG2 GLN 22 -0.663 7.616 31.054 121 HE21 GLN 22 HE21 GLN 22 -0.843 5.348 30.758 122 HE22 GLN 22 HE22 GLN 22 -1.697 4.374 31.902 123 H LYS 23 H LYS 23 4.094 9.000 31.584 124 HA LYS 23 HA LYS 23 5.370 8.125 34.087 125 HB3 LYS 23 HB2 LYS 23 7.407 7.970 32.404 126 HG3 LYS 23 HG2 LYS 23 6.770 5.657 31.792 127 HD3 LYS 23 HD2 LYS 23 5.906 5.776 34.595 128 HE3 LYS 23 HE2 LYS 23 8.410 4.673 33.329 129 HZ1 LYS 23 HZ1 LYS 23 7.357 3.198 35.489 130 HZ2 LYS 23 HZ2 LYS 23 7.570 4.805 35.969 131 HZ3 LYS 23 HZ3 LYS 23 8.875 3.929 35.346 132 H SER 24 H SER 24 5.142 10.240 35.013 133 HA SER 24 HA SER 24 7.091 12.172 33.935 134 HB3 SER 24 HB2 SER 24 5.468 13.769 35.394 135 HG SER 24 HG SER 24 6.073 13.748 33.032 136 H TYR 25 H TYR 25 6.475 10.062 36.378 137 HA TYR 25 HA TYR 25 7.039 11.368 38.747 138 HB3 TYR 25 HB2 TYR 25 8.404 8.860 38.775 139 HD1 TYR 25 HD1 TYR 25 4.726 9.157 38.907 140 HD2 TYR 25 HD2 TYR 25 8.347 9.145 41.141 141 HE1 TYR 25 HE1 TYR 25 3.432 8.984 40.992 142 HE2 TYR 25 HE2 TYR 25 7.063 8.972 43.232 143 HH TYR 25 HH TYR 25 4.596 8.010 43.802 144 H ALA 26 H ALA 26 9.163 10.542 36.123 145 HA ALA 26 HA ALA 26 11.651 10.568 37.311 146 HB1 ALA 26 HB1 ALA 26 11.972 11.978 34.914 147 HB2 ALA 26 HB2 ALA 26 12.160 10.244 35.174 148 HB3 ALA 26 HB3 ALA 26 10.605 10.894 34.655 149 H GLU 27 H GLU 27 9.760 13.354 36.167 150 HA GLU 27 HA GLU 27 11.718 15.252 37.070 151 HB3 GLU 27 HB2 GLU 27 9.251 16.563 36.707 152 HG3 GLU 27 HG2 GLU 27 10.196 17.371 34.619 153 H GLN 28 H GLN 28 8.660 13.980 38.271 154 HA GLN 28 HA GLN 28 8.170 15.750 40.348 155 HB3 GLN 28 HB2 GLN 28 6.882 13.958 41.387 156 HG3 GLN 28 HG2 GLN 28 6.594 13.535 38.434 157 HE21 GLN 28 HE21 GLN 28 4.216 15.033 40.393 158 HE22 GLN 28 HE22 GLN 28 3.156 13.677 40.534 159 H GLY 29 H GLY 29 10.030 12.710 40.460 160 HA2 GLY 29 HA2 GLY 29 10.793 12.892 43.154 161 HA3 GLY 29 HA3 GLY 29 11.647 11.981 41.916 162 H LYS 30 H LYS 30 12.650 13.796 40.248 163 HA LYS 30 HA LYS 30 14.931 14.737 41.465 164 HB3 LYS 30 HB2 LYS 30 15.236 16.167 39.475 165 HG3 LYS 30 HG2 LYS 30 14.229 13.383 39.055 166 HD3 LYS 30 HD2 LYS 30 14.021 15.231 37.064 167 HE3 LYS 30 HE2 LYS 30 16.539 15.474 37.161 168 HZ1 LYS 30 HZ1 LYS 30 16.663 12.942 35.671 169 HZ2 LYS 30 HZ2 LYS 30 16.768 12.915 37.359 170 HZ3 LYS 30 HZ3 LYS 30 17.902 13.786 36.456 171 H GLU 31 H GLU 31 12.066 16.673 40.591 172 HA GLU 31 HA GLU 31 12.930 19.082 41.705 173 HB3 GLU 31 HB2 GLU 31 10.273 17.935 40.987 174 HG3 GLU 31 HG2 GLU 31 9.743 19.129 43.032 175 H TYR 32 H TYR 32 11.467 16.273 43.174 176 HA TYR 32 HA TYR 32 10.611 17.378 45.593 177 HB3 TYR 32 HB2 TYR 32 11.772 14.610 45.233 178 HD1 TYR 32 HD1 TYR 32 12.405 14.724 47.660 179 HD2 TYR 32 HD2 TYR 32 8.384 15.153 46.340 180 HE1 TYR 32 HE1 TYR 32 11.614 14.242 49.938 181 HE2 TYR 32 HE2 TYR 32 7.580 14.673 48.615 182 HH TYR 32 HH TYR 32 8.148 14.266 50.720 183 H ILE 33 H ILE 33 13.736 15.894 44.760 184 HA ILE 33 HA ILE 33 14.934 16.308 47.283 185 HB ILE 33 HB ILE 33 16.430 16.175 44.672 186 HG13 ILE 33 HG12 ILE 33 14.677 14.203 45.874 187 HG21 ILE 33 HG21 ILE 33 18.102 15.002 46.104 188 HG22 ILE 33 HG22 ILE 33 17.827 16.687 46.543 189 HG23 ILE 33 HG23 ILE 33 17.104 15.397 47.502 190 HD11 ILE 33 HD11 ILE 33 14.987 14.839 43.409 191 HD12 ILE 33 HD12 ILE 33 16.379 13.757 43.460 192 HD13 ILE 33 HD13 ILE 33 14.768 13.139 43.820 193 H THR 34 H THR 34 15.213 18.133 44.236 194 HA THR 34 HA THR 34 16.961 20.104 45.006 195 HB THR 34 HB THR 34 15.859 21.585 43.358 196 HG1 THR 34 HG1 THR 34 13.712 21.145 43.531 197 HG21 THR 34 HG21 THR 34 17.438 19.789 42.658 198 HG22 THR 34 HG22 THR 34 16.258 20.214 41.418 199 HG23 THR 34 HG23 THR 34 16.050 18.742 42.366 200 H ASP 35 H ASP 35 13.419 20.160 45.367 201 HA ASP 35 HA ASP 35 13.172 22.653 46.563 202 HB3 ASP 35 HB2 ASP 35 11.389 20.558 47.635 203 H LYS 36 H LYS 36 14.063 19.558 47.961 204 HA LYS 36 HA LYS 36 13.903 20.412 50.679 205 HB3 LYS 36 HB2 LYS 36 15.169 18.329 51.155 206 HG3 LYS 36 HG2 LYS 36 13.541 16.828 49.601 207 HD3 LYS 36 HD2 LYS 36 12.029 18.124 51.718 208 HE3 LYS 36 HE2 LYS 36 13.092 15.392 51.105 209 HZ1 LYS 36 HZ1 LYS 36 13.263 15.763 53.530 210 HZ2 LYS 36 HZ2 LYS 36 12.146 14.564 53.115 211 HZ3 LYS 36 HZ3 LYS 36 11.606 16.101 53.575 212 H ALA 37 H ALA 37 16.531 20.114 48.324 213 HA ALA 37 HA ALA 37 18.598 20.882 50.116 214 HB1 ALA 37 HB1 ALA 37 19.863 21.323 47.945 215 HB2 ALA 37 HB2 ALA 37 19.290 19.678 48.229 216 HB3 ALA 37 HB3 ALA 37 18.416 20.737 47.123 217 H ASP 38 H ASP 38 16.279 22.635 48.239 218 HA ASP 38 HA ASP 38 17.712 25.135 48.314 219 HB3 ASP 38 HB2 ASP 38 14.821 25.260 47.817 220 H LYS 39 H LYS 39 15.009 23.658 50.049 221 HA LYS 39 HA LYS 39 14.380 25.931 51.621 222 HB3 LYS 39 HB2 LYS 39 13.539 23.817 53.138 223 HG3 LYS 39 HG2 LYS 39 11.658 23.996 51.048 224 HD3 LYS 39 HD2 LYS 39 10.532 25.544 52.743 225 HE3 LYS 39 HE2 LYS 39 11.453 22.756 53.349 226 HZ1 LYS 39 HZ1 LYS 39 9.700 24.467 55.020 227 HZ2 LYS 39 HZ2 LYS 39 11.104 23.653 55.497 228 HZ3 LYS 39 HZ3 LYS 39 9.709 22.778 55.114 229 H VAL 40 H VAL 40 16.321 23.026 52.274 230 HA VAL 40 HA VAL 40 17.027 23.667 54.913 231 HB VAL 40 HB VAL 40 17.356 21.428 54.027 232 HG11 VAL 40 HG11 VAL 40 19.800 22.103 52.529 233 HG12 VAL 40 HG12 VAL 40 18.553 20.903 52.188 234 HG13 VAL 40 HG13 VAL 40 18.282 22.598 51.779 235 HG21 VAL 40 HG21 VAL 40 18.713 22.069 55.925 236 HG22 VAL 40 HG22 VAL 40 19.645 21.016 54.859 237 HG23 VAL 40 HG23 VAL 40 19.936 22.757 54.855 238 H ALA 41 H ALA 41 18.481 24.531 51.823 239 HA ALA 41 HA ALA 41 20.795 25.757 52.989 240 HB1 ALA 41 HB1 ALA 41 20.924 26.751 50.578 241 HB2 ALA 41 HB2 ALA 41 21.228 25.034 50.848 242 HB3 ALA 41 HB3 ALA 41 19.662 25.566 50.234 243 H GLY 42 H GLY 42 17.719 26.917 51.661 244 HA2 GLY 42 HA2 GLY 42 18.331 29.683 51.953 245 HA3 GLY 42 HA3 GLY 42 16.732 28.995 51.702 246 H LYS 43 H LYS 43 16.855 27.289 54.055 247 HA LYS 43 HA LYS 43 15.781 29.090 55.949 248 HB3 LYS 43 HB2 LYS 43 16.247 26.883 57.440 249 HG3 LYS 43 HG2 LYS 43 14.104 25.973 56.687 250 HD3 LYS 43 HD2 LYS 43 13.473 28.834 56.579 251 HE3 LYS 43 HE2 LYS 43 12.107 26.720 57.357 252 HZ1 LYS 43 HZ1 LYS 43 12.943 27.602 60.017 253 HZ2 LYS 43 HZ2 LYS 43 13.932 26.487 59.216 254 HZ3 LYS 43 HZ3 LYS 43 12.311 26.113 59.523 255 H VAL 44 H VAL 44 18.982 27.946 55.355 256 HA VAL 44 HA VAL 44 19.914 28.972 57.945 257 HB VAL 44 HB VAL 44 20.695 26.735 57.418 258 HG11 VAL 44 HG11 VAL 44 22.123 26.286 55.495 259 HG12 VAL 44 HG12 VAL 44 20.543 26.878 54.977 260 HG13 VAL 44 HG13 VAL 44 21.939 27.956 54.956 261 HG21 VAL 44 HG21 VAL 44 22.322 28.921 58.082 262 HG22 VAL 44 HG22 VAL 44 22.614 27.217 58.433 263 HG23 VAL 44 HG23 VAL 44 23.261 27.936 56.959 264 H GLN 45 H GLN 45 21.099 30.782 58.100 265 HA GLN 45 HA GLN 45 21.882 32.113 55.593 266 HB3 GLN 45 HB2 GLN 45 21.870 34.133 57.393 267 HG3 GLN 45 HG2 GLN 45 20.227 33.343 55.256 268 HE21 GLN 45 HE21 GLN 45 18.227 35.430 55.613 269 HE22 GLN 45 HE22 GLN 45 16.952 34.722 56.537 270 HA PRO 46 HA PRO 46 25.782 31.097 57.896 271 HB3 PRO 46 HB2 PRO 46 26.092 29.178 56.672 272 HG3 PRO 46 HG2 PRO 46 25.102 28.914 54.586 273 HD3 PRO 46 HD2 PRO 46 23.268 29.578 55.813 274 H GLU 47 H GLU 47 26.709 31.756 54.601 275 HA GLU 47 HA GLU 47 27.724 34.389 55.454 276 HB3 GLU 47 HB2 GLU 47 29.176 33.682 53.205 277 HG3 GLU 47 HG2 GLU 47 30.637 32.730 55.411 278 H ASP 48 H ASP 48 25.816 32.657 53.176 279 HA ASP 48 HA ASP 48 25.569 35.050 51.483 280 HB3 ASP 48 HB2 ASP 48 26.175 33.222 50.116 281 H ASN 49 H ASN 49 23.250 35.062 50.404 282 HA ASN 49 HA ASN 49 21.298 34.836 52.601 283 HB3 ASN 49 HB2 ASN 49 20.103 36.734 51.502 284 HD21 ASN 49 HD21 ASN 49 23.380 37.720 51.031 285 HD22 ASN 49 HD22 ASN 49 23.573 38.535 52.541 286 H LYS 50 H LYS 50 18.971 34.817 51.704 287 HA LYS 50 HA LYS 50 18.660 33.485 49.154 288 HB3 LYS 50 HB2 LYS 50 17.353 31.960 51.303 289 HG3 LYS 50 HG2 LYS 50 17.658 31.421 48.755 290 HD3 LYS 50 HD2 LYS 50 19.941 29.800 49.753 291 HE3 LYS 50 HE2 LYS 50 18.908 29.396 47.551 292 HZ1 LYS 50 HZ1 LYS 50 18.200 31.424 46.744 293 HZ2 LYS 50 HZ2 LYS 50 19.589 31.145 45.821 294 HZ3 LYS 50 HZ3 LYS 50 19.644 32.218 47.128 295 H GLY 51 H GLY 51 16.113 32.529 49.399 296 HA2 GLY 51 HA2 GLY 51 14.376 34.379 50.727 297 HA3 GLY 51 HA3 GLY 51 14.500 34.714 49.007 298 H VAL 52 H VAL 52 12.939 32.902 51.380 299 HA VAL 52 HA VAL 52 12.236 30.574 49.963 300 HB VAL 52 HB VAL 52 10.607 31.982 52.082 301 HG11 VAL 52 HG11 VAL 52 9.673 29.768 52.516 302 HG12 VAL 52 HG12 VAL 52 9.362 30.276 50.854 303 HG13 VAL 52 HG13 VAL 52 10.632 29.099 51.194 304 HG21 VAL 52 HG21 VAL 52 11.763 30.653 53.708 305 HG22 VAL 52 HG22 VAL 52 12.655 29.799 52.451 306 HG23 VAL 52 HG23 VAL 52 12.965 31.510 52.745 307 H PHE 53 H PHE 53 11.104 33.834 49.767 308 HA PHE 53 HA PHE 53 8.546 33.459 48.720 309 HB3 PHE 53 HB2 PHE 53 9.432 35.708 47.419 310 HD1 PHE 53 HD2 PHE 53 8.999 34.772 51.008 311 HD2 PHE 53 HD1 PHE 53 7.744 37.214 47.757 312 HE1 PHE 53 HE2 PHE 53 7.252 35.761 52.431 313 HE2 PHE 53 HE1 PHE 53 5.995 38.209 49.173 314 HZ PHE 53 HZ PHE 53 5.746 37.481 51.513 315 H GLN 54 H GLN 54 11.624 33.899 46.983 316 HA GLN 54 HA GLN 54 10.602 33.597 44.398 317 HB3 GLN 54 HB2 GLN 54 13.177 32.562 44.285 318 HG3 GLN 54 HG2 GLN 54 13.506 35.327 44.236 319 HE21 GLN 54 HE21 GLN 54 12.180 32.630 42.374 320 HE22 GLN 54 HE22 GLN 54 13.225 32.826 41.013 321 H GLY 55 H GLY 55 11.697 31.214 46.748 322 HA2 GLY 55 HA2 GLY 55 11.883 28.953 45.168 323 HA3 GLY 55 HA3 GLY 55 11.367 28.942 46.847 324 H VAL 56 H VAL 56 9.005 30.595 46.304 325 HA VAL 56 HA VAL 56 7.089 28.629 45.975 326 HB VAL 56 HB VAL 56 6.798 31.565 45.327 327 HG11 VAL 56 HG11 VAL 56 4.820 29.344 45.664 328 HG12 VAL 56 HG12 VAL 56 4.376 31.008 46.042 329 HG13 VAL 56 HG13 VAL 56 4.903 30.583 44.414 330 HG21 VAL 56 HG21 VAL 56 7.607 31.238 47.583 331 HG22 VAL 56 HG22 VAL 56 5.916 31.737 47.625 332 HG23 VAL 56 HG23 VAL 56 6.343 30.047 47.894 333 H HIS 57 H HIS 57 8.363 30.881 43.539 334 HA HIS 57 HA HIS 57 6.876 29.509 41.443 335 HB3 HIS 57 HB2 HIS 57 8.808 31.677 40.796 336 HD1 HIS 57 HD1 HIS 57 7.739 29.816 38.726 337 HD2 HIS 57 HD2 HIS 57 5.646 33.180 39.975 338 HE1 HIS 57 HE1 HIS 57 6.153 30.357 36.850 339 H ASP 58 H ASP 58 10.081 29.715 42.742 340 HA ASP 58 HA ASP 58 11.485 28.705 40.491 341 HB3 ASP 58 HB2 ASP 58 12.411 28.282 43.314 342 H SER 59 H SER 59 9.592 27.239 42.982 343 HA SER 59 HA SER 59 10.612 24.670 43.093 344 HB3 SER 59 HB2 SER 59 8.073 24.059 43.421 345 HG SER 59 HG SER 59 8.444 24.450 45.479 346 H ALA 60 H ALA 60 7.976 25.803 40.971 347 HA ALA 60 HA ALA 60 7.770 23.444 39.464 348 HB1 ALA 60 HB1 ALA 60 7.100 25.727 37.866 349 HB2 ALA 60 HB2 ALA 60 6.037 24.526 38.599 350 HB3 ALA 60 HB3 ALA 60 6.514 25.956 39.514 351 H GLU 61 H GLU 61 9.909 26.197 39.198 352 HA GLU 61 HA GLU 61 10.822 25.713 36.563 353 HB3 GLU 61 HB2 GLU 61 12.931 26.962 37.739 354 HG3 GLU 61 HG2 GLU 61 10.391 27.995 36.596 355 H LYS 62 H LYS 62 12.284 24.954 39.724 356 HA LYS 62 HA LYS 62 13.751 23.341 40.373 357 HB3 LYS 62 HB2 LYS 62 13.233 21.850 37.818 358 HG3 LYS 62 HG2 LYS 62 12.942 20.045 39.761 359 HD3 LYS 62 HD2 LYS 62 15.510 19.714 39.523 360 HE3 LYS 62 HE2 LYS 62 13.537 19.680 37.256 361 HZ1 LYS 62 HZ1 LYS 62 16.319 19.464 37.026 362 HZ2 LYS 62 HZ2 LYS 62 15.147 19.219 35.831 363 HZ3 LYS 62 HZ3 LYS 62 15.659 17.923 36.790 364 H GLY 63 H GLY 63 15.750 24.185 40.348 365 HA2 GLY 63 HA2 GLY 63 17.222 24.079 37.787 366 HA3 GLY 63 HA3 GLY 63 17.419 25.398 38.932 367 H LYS 64 H LYS 64 17.689 21.856 38.731 368 HA LYS 64 HA LYS 64 20.345 21.771 39.618 369 HB3 LYS 64 HB2 LYS 64 19.136 20.491 41.845 370 HG3 LYS 64 HG2 LYS 64 20.257 22.427 43.101 371 HD3 LYS 64 HD2 LYS 64 22.549 21.490 41.844 372 HE3 LYS 64 HE2 LYS 64 22.638 19.888 43.694 373 HZ1 LYS 64 HZ1 LYS 64 21.403 22.348 44.765 374 HZ2 LYS 64 HZ2 LYS 64 22.931 22.377 44.043 375 HZ3 LYS 64 HZ3 LYS 64 22.665 21.429 45.417 376 H ASP 65 H ASP 65 20.612 20.227 38.062 377 HA ASP 65 HA ASP 65 20.121 17.542 38.752 378 HB3 ASP 65 HB2 ASP 65 17.810 18.410 37.948 379 H ASN 66 H ASN 66 20.256 16.224 36.409 380 HA ASN 66 HA ASN 66 22.429 17.458 34.873 381 HB3 ASN 66 HB2 ASN 66 23.695 15.336 34.926 382 HD21 ASN 66 HD21 ASN 66 25.123 16.902 35.664 383 HD22 ASN 66 HD22 ASN 66 25.375 17.193 37.348 384 H ALA 67 H ALA 67 22.910 16.185 32.853 385 HA ALA 67 HA ALA 67 21.141 14.284 31.806 386 HB1 ALA 67 HB1 ALA 67 20.138 16.985 31.752 387 HB2 ALA 67 HB2 ALA 67 20.329 16.353 30.116 388 HB3 ALA 67 HB3 ALA 67 19.341 15.480 31.288 389 H GLU 68 H GLU 68 23.272 17.009 31.175 390 HA GLU 68 HA GLU 68 23.939 16.579 28.533 391 HB3 GLU 68 HB2 GLU 68 26.351 17.271 29.755 392 HG3 GLU 68 HG2 GLU 68 24.525 19.512 29.315 393 H GLY 69 H GLY 69 25.584 15.419 27.477 394 HA2 GLY 69 HA2 GLY 69 26.038 12.799 28.544 395 HA3 GLY 69 HA3 GLY 69 26.626 13.415 27.007 396 H GLN 70 H GLN 70 28.341 11.852 28.215 397 HA GLN 70 HA GLN 70 30.616 13.433 28.618 398 HB3 GLN 70 HB2 GLN 70 29.317 12.383 31.130 399 HG3 GLN 70 HG2 GLN 70 32.162 12.912 30.574 400 HE21 GLN 70 HE21 GLN 70 32.781 12.573 33.392 401 HE22 GLN 70 HE22 GLN 70 32.597 14.129 34.120 402 H GLY 71 H GLY 71 28.990 10.375 29.220 403 HA2 GLY 71 HA2 GLY 71 31.322 8.788 29.495 404 HA3 GLY 71 HA3 GLY 71 29.718 8.200 29.084 405 H GLU 72 H GLU 72 30.316 6.776 27.500 406 HA GLU 72 HA GLU 72 32.192 7.272 25.476 407 HB3 GLU 72 HB2 GLU 72 31.297 5.330 24.368 408 HG3 GLU 72 HG2 GLU 72 30.762 4.705 27.242 409 H SER 73 H SER 73 31.063 6.781 23.059 410 HA SER 73 HA SER 73 30.253 9.303 22.192 411 HB3 SER 73 HB2 SER 73 31.060 8.091 20.427 412 HG SER 73 HG SER 73 29.636 5.766 20.656 413 H LEU 74 H LEU 74 28.499 10.203 23.151 414 HA LEU 74 HA LEU 74 26.161 8.945 23.945 415 HB3 LEU 74 HB2 LEU 74 26.596 11.771 22.997 416 HG LEU 74 HG LEU 74 24.178 11.316 23.013 417 HD11 LEU 74 HD11 LEU 74 24.836 10.241 25.709 418 HD12 LEU 74 HD12 LEU 74 23.728 9.623 24.485 419 HD13 LEU 74 HD13 LEU 74 23.274 11.021 25.460 420 HD21 LEU 74 HD21 LEU 74 23.688 13.015 24.950 421 HD22 LEU 74 HD22 LEU 74 24.556 13.525 23.502 422 HD23 LEU 74 HD23 LEU 74 25.446 13.160 24.980 423 H ALA 75 H ALA 75 27.189 9.929 20.782 424 HA ALA 75 HA ALA 75 24.809 10.160 19.402 425 HB1 ALA 75 HB1 ALA 75 27.577 9.615 18.735 426 HB2 ALA 75 HB2 ALA 75 26.456 8.809 17.637 427 HB3 ALA 75 HB3 ALA 75 26.368 10.556 17.863 428 H ASP 76 H ASP 76 26.372 7.294 20.633 429 HA ASP 76 HA ASP 76 24.751 5.454 19.130 430 HB3 ASP 76 HB2 ASP 76 26.090 4.560 21.625 431 H GLN 77 H GLN 77 24.669 6.900 22.330 432 HA GLN 77 HA GLN 77 22.534 5.252 23.292 433 HB3 GLN 77 HB2 GLN 77 22.513 7.504 24.875 434 HG3 GLN 77 HG2 GLN 77 24.459 6.130 26.101 435 HE21 GLN 77 HE21 GLN 77 22.758 7.309 27.353 436 HE22 GLN 77 HE22 GLN 77 21.451 6.373 27.985 437 H ALA 78 H ALA 78 22.778 8.218 21.513 438 HA ALA 78 HA ALA 78 20.141 9.167 22.034 439 HB1 ALA 78 HB1 ALA 78 21.074 10.972 21.141 440 HB2 ALA 78 HB2 ALA 78 22.430 10.026 20.526 441 HB3 ALA 78 HB3 ALA 78 20.963 10.193 19.562 442 H ARG 79 H ARG 79 21.613 7.435 19.295 443 HA ARG 79 HA ARG 79 19.337 7.257 17.693 444 HB3 ARG 79 HB2 ARG 79 20.653 4.934 17.119 445 HG3 ARG 79 HG2 ARG 79 22.145 6.391 15.623 446 HD3 ARG 79 HD2 ARG 79 19.406 5.668 15.490 447 HE ARG 79 HE ARG 79 19.565 8.401 15.112 448 HH11 ARG 79 HH11 ARG 79 18.608 5.611 13.264 449 HH12 ARG 79 HH12 ARG 79 17.443 6.476 12.316 450 HH21 ARG 79 HH21 ARG 79 18.036 9.552 13.871 451 HH22 ARG 79 HH22 ARG 79 17.119 8.717 12.661 452 H ASP 80 H ASP 80 20.239 5.501 20.542 453 HA ASP 80 HA ASP 80 18.419 3.319 20.146 454 HB3 ASP 80 HB2 ASP 80 19.178 3.855 22.916 455 H TYR 81 H TYR 81 18.392 6.317 22.033 456 HA TYR 81 HA TYR 81 15.842 5.830 23.214 457 HB3 TYR 81 HB2 TYR 81 17.332 8.441 22.885 458 HD1 TYR 81 HD2 TYR 81 14.708 6.585 24.758 459 HD2 TYR 81 HD1 TYR 81 16.446 10.365 23.870 460 HE1 TYR 81 HE2 TYR 81 12.871 7.702 25.953 461 HE2 TYR 81 HE1 TYR 81 14.615 11.494 25.063 462 HH TYR 81 HH TYR 81 11.765 9.974 25.917 463 H MET 82 H MET 82 16.969 7.679 20.420 464 HA MET 82 HA MET 82 14.514 8.893 19.776 465 HB3 MET 82 HB2 MET 82 15.679 8.727 17.360 466 HG3 MET 82 HG2 MET 82 17.198 10.666 18.122 467 HE1 MET 82 HE1 MET 82 14.591 13.377 19.119 468 HE2 MET 82 HE2 MET 82 16.288 12.897 19.102 469 HE3 MET 82 HE3 MET 82 15.554 13.600 17.658 470 H GLY 83 H GLY 83 16.061 6.002 18.358 471 HA2 GLY 83 HA2 GLY 83 13.987 5.269 16.654 472 HA3 GLY 83 HA3 GLY 83 15.154 4.152 17.348 473 H ALA 84 H ALA 84 14.316 4.774 20.101 474 HA ALA 84 HA ALA 84 12.283 2.799 20.340 475 HB1 ALA 84 HB1 ALA 84 12.346 3.418 22.769 476 HB2 ALA 84 HB2 ALA 84 13.903 2.956 22.078 477 HB3 ALA 84 HB3 ALA 84 13.531 4.658 22.353 478 H ALA 85 H ALA 85 12.324 6.319 20.533 479 HA ALA 85 HA ALA 85 9.675 6.638 21.477 480 HB1 ALA 85 HB1 ALA 85 11.713 8.412 20.240 481 HB2 ALA 85 HB2 ALA 85 10.038 8.967 20.284 482 HB3 ALA 85 HB3 ALA 85 10.871 8.557 21.783 483 H LYS 86 H LYS 86 11.056 6.212 18.292 484 HA LYS 86 HA LYS 86 8.844 7.055 16.763 485 HB3 LYS 86 HB2 LYS 86 9.904 6.019 14.911 486 HG3 LYS 86 HG2 LYS 86 12.350 6.412 16.556 487 HD3 LYS 86 HD2 LYS 86 11.539 6.583 13.781 488 HE3 LYS 86 HE2 LYS 86 11.554 9.040 14.521 489 HZ1 LYS 86 HZ1 LYS 86 14.139 8.266 15.357 490 HZ2 LYS 86 HZ2 LYS 86 13.360 9.754 15.554 491 HZ3 LYS 86 HZ3 LYS 86 14.268 9.455 14.159 492 H SER 87 H SER 87 9.870 3.761 17.676 493 HA SER 87 HA SER 87 7.635 2.438 16.627 494 HB3 SER 87 HB2 SER 87 8.974 1.368 19.075 495 HG SER 87 HG SER 87 7.546 0.046 17.927 496 H LYS 88 H LYS 88 8.269 3.668 19.892 497 HA LYS 88 HA LYS 88 5.882 2.756 21.068 498 HB3 LYS 88 HB2 LYS 88 6.341 4.668 22.717 499 HG3 LYS 88 HG2 LYS 88 8.404 3.648 23.621 500 HD3 LYS 88 HD2 LYS 88 7.287 1.155 23.254 501 HE3 LYS 88 HE2 LYS 88 7.749 2.582 25.354 502 HZ1 LYS 88 HZ1 LYS 88 4.917 3.034 25.606 503 HZ2 LYS 88 HZ2 LYS 88 5.658 4.034 24.460 504 HZ3 LYS 88 HZ3 LYS 88 6.215 4.021 26.057 505 H LEU 89 H LEU 89 6.722 5.952 19.737 506 HA LEU 89 HA LEU 89 4.330 7.255 20.175 507 HB3 LEU 89 HB2 LEU 89 6.165 7.507 17.797 508 HG LEU 89 HG LEU 89 4.247 8.781 17.216 509 HD11 LEU 89 HD11 LEU 89 4.103 9.236 20.096 510 HD12 LEU 89 HD12 LEU 89 2.825 9.223 18.882 511 HD13 LEU 89 HD13 LEU 89 3.788 10.677 19.131 512 HD21 LEU 89 HD21 LEU 89 5.510 10.502 16.611 513 HD22 LEU 89 HD22 LEU 89 6.745 9.953 17.744 514 HD23 LEU 89 HD23 LEU 89 5.528 11.121 18.261 515 H ASN 90 H ASN 90 5.270 5.472 17.234 516 HA ASN 90 HA ASN 90 2.842 5.733 15.882 517 HB3 ASN 90 HB2 ASN 90 4.251 3.177 15.474 518 HD21 ASN 90 HD21 ASN 90 2.631 2.784 14.004 519 HD22 ASN 90 HD22 ASN 90 2.477 3.661 12.524 520 H ASP 91 H ASP 91 3.785 3.626 18.473 521 HA ASP 91 HA ASP 91 1.703 1.709 18.152 522 HB3 ASP 91 HB2 ASP 91 2.726 2.119 20.880 523 H ALA 92 H ALA 92 2.022 4.735 19.908 524 HA ALA 92 HA ALA 92 -0.498 4.426 21.278 525 HB1 ALA 92 HB1 ALA 92 1.782 6.065 21.568 526 HB2 ALA 92 HB2 ALA 92 0.404 7.132 21.301 527 HB3 ALA 92 HB3 ALA 92 0.370 5.963 22.620 528 H VAL 93 H VAL 93 0.752 6.420 18.615 529 HA VAL 93 HA VAL 93 -1.492 7.945 18.084 530 HB VAL 93 HB VAL 93 0.331 6.801 15.967 531 HG11 VAL 93 HG11 VAL 93 -1.152 9.424 16.040 532 HG12 VAL 93 HG12 VAL 93 -0.231 8.754 14.693 533 HG13 VAL 93 HG13 VAL 93 -1.730 7.979 15.211 534 HG21 VAL 93 HG21 VAL 93 1.138 9.402 16.678 535 HG22 VAL 93 HG22 VAL 93 0.961 8.500 18.184 536 HG23 VAL 93 HG23 VAL 93 2.020 7.894 16.911 537 H GLU 94 H GLU 94 -0.617 4.843 16.552 538 HA GLU 94 HA GLU 94 -2.828 4.494 14.956 539 HB3 GLU 94 HB2 GLU 94 -2.185 1.966 16.126 540 HG3 GLU 94 HG2 GLU 94 -0.692 2.268 13.783 541 H TYR 95 H TYR 95 -2.514 3.913 18.408 542 HA TYR 95 HA TYR 95 -5.082 2.666 18.675 543 HB3 TYR 95 HB2 TYR 95 -3.352 3.900 20.827 544 HD1 TYR 95 HD1 TYR 95 -5.511 4.558 21.964 545 HD2 TYR 95 HD2 TYR 95 -4.531 0.515 21.078 546 HE1 TYR 95 HE1 TYR 95 -7.182 3.800 23.602 547 HE2 TYR 95 HE2 TYR 95 -6.200 -0.254 22.712 548 HH TYR 95 HH TYR 95 -7.481 1.612 25.046 549 H VAL 96 H VAL 96 -3.775 5.906 19.204 550 HA VAL 96 HA VAL 96 -6.089 7.033 20.361 551 HB VAL 96 HB VAL 96 -3.983 8.462 18.734 552 HG11 VAL 96 HG11 VAL 96 -4.660 10.443 19.847 553 HG12 VAL 96 HG12 VAL 96 -6.133 9.674 19.254 554 HG13 VAL 96 HG13 VAL 96 -5.696 9.549 20.958 555 HG21 VAL 96 HG21 VAL 96 -2.541 7.921 20.336 556 HG22 VAL 96 HG22 VAL 96 -3.525 8.848 21.468 557 HG23 VAL 96 HG23 VAL 96 -3.803 7.118 21.270 558 H SER 97 H SER 97 -4.876 7.119 17.013 559 HA SER 97 HA SER 97 -7.000 8.575 15.918 560 HB3 SER 97 HB2 SER 97 -5.984 6.648 14.025 561 HG SER 97 HG SER 97 -5.446 8.481 12.964 562 H GLY 98 H GLY 98 -6.685 5.188 16.703 563 HA2 GLY 98 HA2 GLY 98 -9.021 4.384 15.215 564 HA3 GLY 98 HA3 GLY 98 -8.103 3.391 16.337 565 H ARG 99 H ARG 99 -8.404 5.641 18.369 566 HA ARG 99 HA ARG 99 -10.931 4.677 19.437 567 HB3 ARG 99 HB2 ARG 99 -9.962 6.448 21.289 568 HG3 ARG 99 HG2 ARG 99 -8.577 3.953 21.613 569 HD3 ARG 99 HD2 ARG 99 -11.086 4.968 22.939 570 HE ARG 99 HE ARG 99 -9.836 2.633 23.432 571 HH11 ARG 99 HH11 ARG 99 -10.095 5.600 25.234 572 HH12 ARG 99 HH12 ARG 99 -9.988 4.824 26.780 573 HH21 ARG 99 HH21 ARG 99 -9.693 1.599 25.460 574 HH22 ARG 99 HH22 ARG 99 -9.758 2.547 26.907 575 H VAL 100 H VAL 100 -9.403 7.772 18.606 576 HA VAL 100 HA VAL 100 -11.397 9.522 19.352 577 HB VAL 100 HB VAL 100 -9.636 9.701 16.904 578 HG11 VAL 100 HG11 VAL 100 -10.047 12.119 17.031 579 HG12 VAL 100 HG12 VAL 100 -11.530 11.214 16.724 580 HG13 VAL 100 HG13 VAL 100 -11.200 11.846 18.336 581 HG21 VAL 100 HG21 VAL 100 -7.989 10.579 18.204 582 HG22 VAL 100 HG22 VAL 100 -9.121 11.260 19.373 583 HG23 VAL 100 HG23 VAL 100 -8.747 9.537 19.407 584 H HIS 101 H HIS 101 -11.287 7.366 16.610 585 HA HIS 101 HA HIS 101 -13.233 8.482 14.970 586 HB3 HIS 101 HB2 HIS 101 -12.813 5.525 15.441 587 HD1 HIS 101 HD1 HIS 101 -14.832 4.533 14.366 588 HD2 HIS 101 HD2 HIS 101 -13.210 7.627 12.117 589 HE1 HIS 101 HE1 HIS 101 -16.117 4.540 12.204 590 H GLY 102 H GLY 102 -13.557 6.650 17.933 591 HA2 GLY 102 HA2 GLY 102 -16.479 6.611 17.621 592 HA3 GLY 102 HA3 GLY 102 -15.561 5.663 18.781 593 H GLU 103 H GLU 103 -15.088 9.096 18.201 594 HA GLU 103 HA GLU 103 -16.273 9.652 20.838 595 HB3 GLU 103 HB2 GLU 103 -14.248 11.565 20.325 596 HG3 GLU 103 HG2 GLU 103 -14.540 9.322 22.282 597 H GLU 104 H GLU 104 -15.023 11.343 17.954 598 HA GLU 104 HA GLU 104 -17.535 12.577 17.411 599 HB3 GLU 104 HB2 GLU 104 -15.425 14.562 18.170 600 HG3 GLU 104 HG2 GLU 104 -17.668 15.700 18.947 601 H ASP 105 H ASP 105 -14.033 12.659 16.970 602 HA ASP 105 HA ASP 105 -12.734 12.834 15.112 603 HB3 ASP 105 HB2 ASP 105 -14.463 12.555 12.931 604 HA PRO 106 HA PRO 106 -12.993 16.954 13.633 605 HB3 PRO 106 HB2 PRO 106 -10.879 16.681 12.777 606 HG3 PRO 106 HG2 PRO 106 -10.230 14.674 11.800 607 HD3 PRO 106 HD2 PRO 106 -11.114 13.885 13.777 608 H THR 107 H THR 107 -14.133 14.431 11.469 609 HA THR 107 HA THR 107 -15.861 14.344 9.989 610 HB THR 107 HB THR 107 -16.857 17.000 10.983 611 HG1 THR 107 HG1 THR 107 -16.539 15.981 12.894 612 HG21 THR 107 HG21 THR 107 -18.353 14.479 10.268 613 HG22 THR 107 HG22 THR 107 -17.992 15.760 9.112 614 HG23 THR 107 HG23 THR 107 -19.015 16.095 10.509 615 H LYS 108 H LYS 108 -13.473 15.357 9.035 616 HA LYS 108 HA LYS 108 -14.327 17.513 7.218 617 HB3 LYS 108 HB2 LYS 108 -11.448 16.804 7.528 618 HG3 LYS 108 HG2 LYS 108 -12.567 19.563 7.601 619 HD3 LYS 108 HD2 LYS 108 -10.016 18.437 7.513 620 HE3 LYS 108 HE2 LYS 108 -10.308 19.989 4.990 621 HZ1 LYS 108 HZ1 LYS 108 -8.114 19.467 5.766 622 HZ2 LYS 108 HZ2 LYS 108 -8.422 18.561 4.372 623 HZ3 LYS 108 HZ3 LYS 108 -8.490 17.821 5.893 624 H LYS 109 H LYS 109 -11.998 14.808 7.221 625 HA LYS 109 HA LYS 109 -13.156 13.754 4.786 626 HB3 LYS 109 HB2 LYS 109 -11.526 15.537 4.066 627 HG3 LYS 109 HG2 LYS 109 -9.807 14.270 5.894 628 HD3 LYS 109 HD2 LYS 109 -8.389 14.285 3.295 629 HE3 LYS 109 HE2 LYS 109 -8.089 13.196 5.991 630 HZ1 LYS 109 HZ1 LYS 109 -8.157 11.065 5.267 631 HZ2 LYS 109 HZ2 LYS 109 -6.560 11.409 4.829 632 HZ3 LYS 109 HZ3 LYS 109 -7.785 11.459 3.665 Start of MODEL 12 1 H1 MET 1 H MET 1 53.691 22.106 16.888 2 HA MET 1 HA MET 1 55.685 22.867 16.054 3 HB3 MET 1 HB2 MET 1 56.661 24.703 17.395 4 HG3 MET 1 HG2 MET 1 54.003 24.585 16.470 5 HE1 MET 1 HE1 MET 1 52.279 23.709 18.328 6 HE2 MET 1 HE2 MET 1 51.279 25.047 18.896 7 HE3 MET 1 HE3 MET 1 51.708 24.930 17.189 8 H SER 2 H SER 2 56.879 20.953 15.939 9 HA SER 2 HA SER 2 59.285 20.921 17.431 10 HB3 SER 2 HB2 SER 2 58.736 18.459 18.272 11 HG SER 2 HG SER 2 59.162 19.613 19.973 12 H ASP 3 H ASP 3 57.341 18.222 16.174 13 HA ASP 3 HA ASP 3 58.549 18.123 13.635 14 HB3 ASP 3 HB2 ASP 3 60.467 17.466 15.257 15 H ALA 4 H ALA 4 58.478 15.483 13.006 16 HA ALA 4 HA ALA 4 56.277 14.065 14.089 17 HB1 ALA 4 HB1 ALA 4 55.768 15.784 11.690 18 HB2 ALA 4 HB2 ALA 4 54.868 14.288 11.940 19 HB3 ALA 4 HB3 ALA 4 54.787 15.577 13.141 20 H GLY 5 H GLY 5 56.098 11.995 13.243 21 HA2 GLY 5 HA2 GLY 5 56.616 10.168 11.921 22 HA3 GLY 5 HA3 GLY 5 57.394 11.259 10.783 23 H ARG 6 H ARG 6 58.741 9.090 10.962 24 HA ARG 6 HA ARG 6 60.428 8.563 13.082 25 HB3 ARG 6 HB2 ARG 6 61.883 7.456 11.497 26 HG3 ARG 6 HG2 ARG 6 59.172 6.908 11.663 27 HD3 ARG 6 HD2 ARG 6 60.112 6.950 8.804 28 HE ARG 6 HE ARG 6 58.438 5.005 9.941 29 HH11 ARG 6 HH11 ARG 6 58.535 7.218 7.256 30 HH12 ARG 6 HH12 ARG 6 57.535 6.234 6.240 31 HH21 ARG 6 HH21 ARG 6 57.121 3.700 8.615 32 HH22 ARG 6 HH22 ARG 6 56.729 4.233 7.014 33 H LYS 7 H LYS 7 62.116 9.552 13.987 34 HA LYS 7 HA LYS 7 64.039 11.085 12.656 35 HB3 LYS 7 HB2 LYS 7 62.635 13.049 14.306 36 HG3 LYS 7 HG2 LYS 7 63.479 13.157 11.417 37 HD3 LYS 7 HD2 LYS 7 63.488 15.583 11.786 38 HE3 LYS 7 HE2 LYS 7 60.786 14.705 12.696 39 HZ1 LYS 7 HZ1 LYS 7 60.112 16.201 10.907 40 HZ2 LYS 7 HZ2 LYS 7 61.733 16.504 10.531 41 HZ3 LYS 7 HZ3 LYS 7 61.108 16.990 12.026 42 H GLY 8 H GLY 8 64.923 12.824 14.549 43 HA2 GLY 8 HA2 GLY 8 66.131 11.130 16.443 44 HA3 GLY 8 HA3 GLY 8 66.148 12.887 16.490 45 H PHE 9 H PHE 9 63.062 12.639 16.465 46 HA PHE 9 HA PHE 9 62.690 13.032 19.222 47 HB3 PHE 9 HB2 PHE 9 60.265 12.179 17.868 48 HD1 PHE 9 HD1 PHE 9 62.234 15.244 18.687 49 HD2 PHE 9 HD2 PHE 9 58.541 13.153 19.015 50 HE1 PHE 9 HE1 PHE 9 61.333 17.063 20.078 51 HE2 PHE 9 HE2 PHE 9 57.634 14.968 20.405 52 HZ PHE 9 HZ PHE 9 59.028 16.927 20.938 53 H GLY 10 H GLY 10 62.662 10.169 17.265 54 HA2 GLY 10 HA2 GLY 10 61.112 8.446 18.808 55 HA3 GLY 10 HA3 GLY 10 62.475 7.949 17.813 56 H GLU 11 H GLU 11 64.654 8.852 18.968 57 HA GLU 11 HA GLU 11 65.138 7.158 21.097 58 HB3 GLU 11 HB2 GLU 11 66.860 9.419 21.358 59 HG3 GLU 11 HG2 GLU 11 67.884 7.328 19.645 60 H LYS 12 H LYS 12 64.528 10.664 21.222 61 HA LYS 12 HA LYS 12 64.614 10.931 24.006 62 HB3 LYS 12 HB2 LYS 12 63.543 13.055 23.699 63 HG3 LYS 12 HG2 LYS 12 64.749 13.074 21.041 64 HD3 LYS 12 HD2 LYS 12 65.939 14.386 23.426 65 HE3 LYS 12 HE2 LYS 12 65.154 15.970 21.105 66 HZ1 LYS 12 HZ1 LYS 12 67.907 15.842 21.440 67 HZ2 LYS 12 HZ2 LYS 12 67.240 15.835 22.993 68 HZ3 LYS 12 HZ3 LYS 12 66.866 17.087 21.918 69 H ALA 13 H ALA 13 61.883 10.279 21.840 70 HA ALA 13 HA ALA 13 59.799 10.378 23.654 71 HB1 ALA 13 HB1 ALA 13 59.022 8.330 22.046 72 HB2 ALA 13 HB2 ALA 13 58.890 10.039 21.631 73 HB3 ALA 13 HB3 ALA 13 60.266 9.097 21.057 74 H SER 14 H SER 14 61.751 7.529 22.769 75 HA SER 14 HA SER 14 60.531 5.746 24.560 76 HB3 SER 14 HB2 SER 14 63.045 4.728 24.335 77 HG SER 14 HG SER 14 61.673 4.434 22.002 78 H GLU 15 H GLU 15 62.961 8.181 25.012 79 HA GLU 15 HA GLU 15 63.864 7.174 27.555 80 HB3 GLU 15 HB2 GLU 15 64.949 9.506 27.656 81 HG3 GLU 15 HG2 GLU 15 66.079 8.549 25.210 82 H ALA 16 H ALA 16 61.548 9.534 26.400 83 HA ALA 16 HA ALA 16 61.062 10.787 28.902 84 HB1 ALA 16 HB1 ALA 16 59.260 10.621 26.489 85 HB2 ALA 16 HB2 ALA 16 59.110 11.756 27.832 86 HB3 ALA 16 HB3 ALA 16 60.507 11.841 26.757 87 H LEU 17 H LEU 17 60.035 7.816 27.498 88 HA LEU 17 HA LEU 17 57.849 7.529 29.426 89 HB3 LEU 17 HB2 LEU 17 57.275 6.957 27.170 90 HG LEU 17 HG LEU 17 59.702 6.200 26.540 91 HD11 LEU 17 HD11 LEU 17 60.362 4.174 27.155 92 HD12 LEU 17 HD12 LEU 17 58.857 3.448 26.587 93 HD13 LEU 17 HD13 LEU 17 58.960 4.102 28.222 94 HD21 LEU 17 HD21 LEU 17 58.237 6.348 24.776 95 HD22 LEU 17 HD22 LEU 17 57.070 5.247 25.510 96 HD23 LEU 17 HD23 LEU 17 58.555 4.613 24.798 97 H LYS 18 H LYS 18 60.998 6.256 28.600 98 HA LYS 18 HA LYS 18 61.120 3.899 29.980 99 HB3 LYS 18 HB2 LYS 18 62.949 5.107 28.637 100 HG3 LYS 18 HG2 LYS 18 62.946 6.799 30.892 101 HD3 LYS 18 HD2 LYS 18 65.582 5.374 30.574 102 HE3 LYS 18 HE2 LYS 18 65.440 6.694 33.015 103 HZ1 LYS 18 HZ1 LYS 18 66.906 6.918 30.560 104 HZ2 LYS 18 HZ2 LYS 18 67.447 7.057 32.156 105 HZ3 LYS 18 HZ3 LYS 18 66.772 8.396 31.373 106 HA PRO 19 HA PRO 19 60.603 4.704 34.265 107 HB3 PRO 19 HB2 PRO 19 60.722 2.433 34.585 108 HG3 PRO 19 HG2 PRO 19 62.172 1.119 33.331 109 HD3 PRO 19 HD2 PRO 19 61.142 2.299 31.639 110 H ASP 20 H ASP 20 62.241 4.604 36.360 111 HA ASP 20 HA ASP 20 64.834 5.604 36.091 112 HB3 ASP 20 HB2 ASP 20 63.485 7.960 37.055 113 H SER 21 H SER 21 65.153 7.220 38.245 114 HA SER 21 HA SER 21 64.574 5.398 40.419 115 HB3 SER 21 HB2 SER 21 66.671 6.101 40.883 116 HG SER 21 HG SER 21 67.617 7.594 39.708 117 H GLN 22 H GLN 22 63.433 8.427 39.208 118 HA GLN 22 HA GLN 22 62.359 9.632 41.446 119 HB3 GLN 22 HB2 GLN 22 60.546 10.446 39.798 120 HG3 GLN 22 HG2 GLN 22 62.252 11.697 38.379 121 HE21 GLN 22 HE21 GLN 22 63.056 13.679 39.210 122 HE22 GLN 22 HE22 GLN 22 62.612 14.218 40.790 123 H LYS 23 H LYS 23 60.195 9.678 42.295 124 HA LYS 23 HA LYS 23 58.563 7.305 41.780 125 HB3 LYS 23 HB2 LYS 23 58.275 7.244 44.390 126 HG3 LYS 23 HG2 LYS 23 60.721 6.003 44.334 127 HD3 LYS 23 HD2 LYS 23 57.918 5.199 43.768 128 HE3 LYS 23 HE2 LYS 23 59.757 2.942 43.842 129 HZ1 LYS 23 HZ1 LYS 23 57.646 2.339 43.284 130 HZ2 LYS 23 HZ2 LYS 23 58.295 2.516 41.733 131 HZ3 LYS 23 HZ3 LYS 23 57.339 3.745 42.395 132 H SER 24 H SER 24 57.173 8.844 40.755 133 HA SER 24 HA SER 24 55.224 9.938 42.552 134 HB3 SER 24 HB2 SER 24 55.789 12.108 42.551 135 HG SER 24 HG SER 24 58.038 11.787 40.942 136 H TYR 25 H TYR 25 53.829 11.585 40.897 137 HA TYR 25 HA TYR 25 52.324 9.901 39.337 138 HB3 TYR 25 HB2 TYR 25 52.456 12.600 38.219 139 HD1 TYR 25 HD1 TYR 25 50.724 11.724 36.757 140 HD2 TYR 25 HD2 TYR 25 50.231 11.701 40.982 141 HE1 TYR 25 HE1 TYR 25 48.322 11.284 36.467 142 HE2 TYR 25 HE2 TYR 25 47.827 11.260 40.705 143 HH TYR 25 HH TYR 25 46.189 10.819 39.266 144 H ALA 26 H ALA 26 55.241 11.638 38.471 145 HA ALA 26 HA ALA 26 55.206 11.484 35.719 146 HB1 ALA 26 HB1 ALA 26 57.323 12.197 35.850 147 HB2 ALA 26 HB2 ALA 26 57.039 12.252 37.590 148 HB3 ALA 26 HB3 ALA 26 57.816 10.844 36.868 149 H GLU 27 H GLU 27 56.277 9.009 38.029 150 HA GLU 27 HA GLU 27 56.913 7.118 35.962 151 HB3 GLU 27 HB2 GLU 27 56.610 5.732 38.381 152 HG3 GLU 27 HG2 GLU 27 58.574 6.014 36.558 153 H GLN 28 H GLN 28 54.196 7.725 38.109 154 HA GLN 28 HA GLN 28 52.767 5.365 37.760 155 HB3 GLN 28 HB2 GLN 28 50.783 6.650 38.382 156 HG3 GLN 28 HG2 GLN 28 53.036 7.887 39.921 157 HE21 GLN 28 HE21 GLN 28 49.989 6.075 40.114 158 HE22 GLN 28 HE22 GLN 28 49.315 7.013 41.399 159 H GLY 29 H GLY 29 52.532 8.391 35.889 160 HA2 GLY 29 HA2 GLY 29 50.607 7.494 34.055 161 HA3 GLY 29 HA3 GLY 29 51.745 8.803 33.773 162 H LYS 30 H LYS 30 54.151 7.631 33.699 163 HA LYS 30 HA LYS 30 54.372 6.601 31.152 164 HB3 LYS 30 HB2 LYS 30 56.625 5.838 31.810 165 HG3 LYS 30 HG2 LYS 30 55.720 8.519 32.774 166 HD3 LYS 30 HD2 LYS 30 58.555 7.483 32.796 167 HE3 LYS 30 HE2 LYS 30 57.369 10.164 32.822 168 HZ1 LYS 30 HZ1 LYS 30 58.241 9.510 35.223 169 HZ2 LYS 30 HZ2 LYS 30 58.457 11.056 34.572 170 HZ3 LYS 30 HZ3 LYS 30 59.722 9.935 34.524 171 H GLU 31 H GLU 31 54.524 4.726 34.185 172 HA GLU 31 HA GLU 31 54.582 2.201 32.959 173 HB3 GLU 31 HB2 GLU 31 53.933 3.194 35.700 174 HG3 GLU 31 HG2 GLU 31 52.335 1.386 35.414 175 H TYR 32 H TYR 32 51.975 4.377 33.660 176 HA TYR 32 HA TYR 32 49.838 2.531 33.582 177 HB3 TYR 32 HB2 TYR 32 49.783 5.455 32.810 178 HD1 TYR 32 HD2 TYR 32 47.919 5.180 31.263 179 HD2 TYR 32 HD1 TYR 32 47.657 3.792 35.277 180 HE1 TYR 32 HE2 TYR 32 45.480 4.973 31.026 181 HE2 TYR 32 HE1 TYR 32 45.217 3.579 35.050 182 HH TYR 32 HH TYR 32 43.406 4.590 33.628 183 H ILE 33 H ILE 33 51.308 4.570 31.074 184 HA ILE 33 HA ILE 33 49.579 3.718 28.992 185 HB ILE 33 HB ILE 33 52.375 4.718 28.529 186 HG13 ILE 33 HG12 ILE 33 51.695 6.333 30.057 187 HG21 ILE 33 HG21 ILE 33 49.833 5.312 27.030 188 HG22 ILE 33 HG22 ILE 33 51.493 5.606 26.515 189 HG23 ILE 33 HG23 ILE 33 50.889 3.953 26.645 190 HD11 ILE 33 HD11 ILE 33 51.924 7.246 27.604 191 HD12 ILE 33 HD12 ILE 33 50.211 7.606 27.827 192 HD13 ILE 33 HD13 ILE 33 51.406 8.287 28.930 193 H THR 34 H THR 34 52.893 2.790 29.887 194 HA THR 34 HA THR 34 53.460 0.995 27.883 195 HB THR 34 HB THR 34 54.921 -0.185 29.508 196 HG1 THR 34 HG1 THR 34 54.943 0.596 31.665 197 HG21 THR 34 HG21 THR 34 55.685 1.870 28.392 198 HG22 THR 34 HG22 THR 34 56.367 1.715 30.011 199 HG23 THR 34 HG23 THR 34 55.028 2.825 29.720 200 H ASP 35 H ASP 35 51.833 0.294 30.972 201 HA ASP 35 HA ASP 35 51.420 -2.429 30.588 202 HB3 ASP 35 HB2 ASP 35 49.231 -0.962 31.928 203 H LYS 36 H LYS 36 49.618 0.331 29.391 204 HA LYS 36 HA LYS 36 47.382 -1.156 28.437 205 HB3 LYS 36 HB2 LYS 36 46.832 0.907 27.189 206 HG3 LYS 36 HG2 LYS 36 47.300 2.505 29.332 207 HD3 LYS 36 HD2 LYS 36 45.181 0.551 29.834 208 HE3 LYS 36 HE2 LYS 36 45.462 3.499 29.458 209 HZ1 LYS 36 HZ1 LYS 36 42.788 2.756 30.024 210 HZ2 LYS 36 HZ2 LYS 36 43.257 2.132 28.524 211 HZ3 LYS 36 HZ3 LYS 36 43.376 3.794 28.822 212 H ALA 37 H ALA 37 50.342 0.076 26.929 213 HA ALA 37 HA ALA 37 49.708 -0.811 24.308 214 HB1 ALA 37 HB1 ALA 37 52.221 -0.531 23.962 215 HB2 ALA 37 HB2 ALA 37 51.304 0.900 24.439 216 HB3 ALA 37 HB3 ALA 37 52.266 0.030 25.634 217 H ASP 38 H ASP 38 51.045 -2.359 27.102 218 HA ASP 38 HA ASP 38 52.198 -4.572 25.670 219 HB3 ASP 38 HB2 ASP 38 51.596 -5.006 28.506 220 H LYS 39 H LYS 39 49.239 -3.971 27.508 221 HA LYS 39 HA LYS 39 48.254 -6.628 27.363 222 HB3 LYS 39 HB2 LYS 39 46.007 -5.095 27.630 223 HG3 LYS 39 HG2 LYS 39 47.216 -5.044 30.175 224 HD3 LYS 39 HD2 LYS 39 44.855 -5.664 29.430 225 HE3 LYS 39 HE2 LYS 39 46.084 -8.408 29.231 226 HZ1 LYS 39 HZ1 LYS 39 43.755 -8.660 28.107 227 HZ2 LYS 39 HZ2 LYS 39 43.358 -7.339 29.085 228 HZ3 LYS 39 HZ3 LYS 39 43.917 -8.773 29.786 229 H VAL 40 H VAL 40 47.459 -3.691 25.512 230 HA VAL 40 HA VAL 40 45.598 -4.828 23.777 231 HB VAL 40 HB VAL 40 45.902 -2.419 23.919 232 HG11 VAL 40 HG11 VAL 40 47.833 -1.316 23.561 233 HG12 VAL 40 HG12 VAL 40 48.559 -2.890 23.887 234 HG13 VAL 40 HG13 VAL 40 48.306 -2.361 22.223 235 HG21 VAL 40 HG21 VAL 40 46.466 -3.512 21.165 236 HG22 VAL 40 HG22 VAL 40 44.880 -3.288 21.903 237 HG23 VAL 40 HG23 VAL 40 45.875 -1.887 21.511 238 H ALA 41 H ALA 41 49.114 -4.733 23.612 239 HA ALA 41 HA ALA 41 49.250 -5.851 20.972 240 HB1 ALA 41 HB1 ALA 41 51.319 -5.399 23.109 241 HB2 ALA 41 HB2 ALA 41 51.690 -6.121 21.542 242 HB3 ALA 41 HB3 ALA 41 51.062 -4.475 21.629 243 H GLY 42 H GLY 42 49.884 -7.103 24.249 244 HA2 GLY 42 HA2 GLY 42 50.524 -9.728 23.472 245 HA3 GLY 42 HA3 GLY 42 49.948 -9.249 25.062 246 H LYS 43 H LYS 43 47.429 -8.190 24.110 247 HA LYS 43 HA LYS 43 45.846 -10.493 24.300 248 HB3 LYS 43 HB2 LYS 43 44.173 -8.661 23.134 249 HG3 LYS 43 HG2 LYS 43 43.566 -7.928 25.381 250 HD3 LYS 43 HD2 LYS 43 43.907 -10.594 26.234 251 HE3 LYS 43 HE2 LYS 43 41.727 -9.016 24.924 252 HZ1 LYS 43 HZ1 LYS 43 41.896 -11.823 24.885 253 HZ2 LYS 43 HZ2 LYS 43 40.628 -10.835 24.358 254 HZ3 LYS 43 HZ3 LYS 43 40.669 -11.373 25.961 255 H VAL 44 H VAL 44 47.409 -9.059 21.608 256 HA VAL 44 HA VAL 44 45.688 -10.073 19.567 257 HB VAL 44 HB VAL 44 48.593 -9.331 19.254 258 HG11 VAL 44 HG11 VAL 44 46.373 -9.956 17.434 259 HG12 VAL 44 HG12 VAL 44 47.318 -8.529 17.003 260 HG13 VAL 44 HG13 VAL 44 48.114 -10.093 17.192 261 HG21 VAL 44 HG21 VAL 44 47.726 -7.066 18.651 262 HG22 VAL 44 HG22 VAL 44 46.155 -7.559 19.281 263 HG23 VAL 44 HG23 VAL 44 47.551 -7.481 20.357 264 H GLN 45 H GLN 45 46.109 -11.791 18.113 265 HA GLN 45 HA GLN 45 46.529 -13.991 17.681 266 HB3 GLN 45 HB2 GLN 45 49.285 -13.373 18.746 267 HG3 GLN 45 HG2 GLN 45 48.520 -15.102 16.413 268 HE21 GLN 45 HE21 GLN 45 50.204 -15.653 15.235 269 HE22 GLN 45 HE22 GLN 45 51.863 -15.504 15.696 270 HA PRO 46 HA PRO 46 46.026 -15.180 22.149 271 HB3 PRO 46 HB2 PRO 46 43.789 -14.658 22.128 272 HG3 PRO 46 HG2 PRO 46 42.594 -14.583 20.136 273 HD3 PRO 46 HD2 PRO 46 44.402 -13.272 19.564 274 H GLU 47 H GLU 47 44.855 -17.576 22.667 275 HA GLU 47 HA GLU 47 45.205 -19.824 22.658 276 HB3 GLU 47 HB2 GLU 47 46.135 -20.427 20.084 277 HG3 GLU 47 HG2 GLU 47 43.211 -20.255 20.580 278 H ASP 48 H ASP 48 47.441 -17.789 22.969 279 HA ASP 48 HA ASP 48 49.613 -19.755 22.909 280 HB3 ASP 48 HB2 ASP 48 51.124 -17.738 22.240 281 H ASN 49 H ASN 49 48.010 -18.905 25.082 282 HA ASN 49 HA ASN 49 48.221 -18.277 27.257 283 HB3 ASN 49 HB2 ASN 49 51.151 -17.786 26.974 284 HD21 ASN 49 HD21 ASN 49 48.620 -19.720 28.537 285 HD22 ASN 49 HD22 ASN 49 49.226 -19.524 30.143 286 H LYS 50 H LYS 50 48.660 -16.422 28.654 287 HA LYS 50 HA LYS 50 49.746 -14.007 27.667 288 HB3 LYS 50 HB2 LYS 50 46.894 -13.468 28.009 289 HG3 LYS 50 HG2 LYS 50 47.338 -12.448 25.659 290 HD3 LYS 50 HD2 LYS 50 47.314 -11.400 28.109 291 HE3 LYS 50 HE2 LYS 50 50.007 -10.506 27.163 292 HZ1 LYS 50 HZ1 LYS 50 49.570 -9.163 28.877 293 HZ2 LYS 50 HZ2 LYS 50 49.954 -10.490 29.853 294 HZ3 LYS 50 HZ3 LYS 50 48.339 -10.149 29.487 295 H GLY 51 H GLY 51 49.725 -15.695 30.046 296 HA2 GLY 51 HA2 GLY 51 49.857 -15.388 32.319 297 HA3 GLY 51 HA3 GLY 51 49.684 -13.666 32.014 298 H VAL 52 H VAL 52 48.244 -16.397 33.335 299 HA VAL 52 HA VAL 52 45.498 -15.674 33.007 300 HB VAL 52 HB VAL 52 46.722 -17.477 35.100 301 HG11 VAL 52 HG11 VAL 52 43.901 -17.295 34.044 302 HG12 VAL 52 HG12 VAL 52 44.492 -18.470 35.220 303 HG13 VAL 52 HG13 VAL 52 44.450 -16.755 35.631 304 HG21 VAL 52 HG21 VAL 52 47.269 -18.115 32.753 305 HG22 VAL 52 HG22 VAL 52 46.305 -19.315 33.616 306 HG23 VAL 52 HG23 VAL 52 45.539 -18.250 32.436 307 H PHE 53 H PHE 53 48.021 -14.766 35.188 308 HA PHE 53 HA PHE 53 46.134 -13.595 37.086 309 HB3 PHE 53 HB2 PHE 53 48.686 -12.921 37.934 310 HD1 PHE 53 HD2 PHE 53 47.777 -16.468 38.098 311 HD2 PHE 53 HD1 PHE 53 47.421 -12.653 39.952 312 HE1 PHE 53 HE2 PHE 53 46.910 -17.542 40.133 313 HE2 PHE 53 HE1 PHE 53 46.553 -13.722 41.991 314 HZ PHE 53 HZ PHE 53 46.296 -16.170 42.084 315 H GLN 54 H GLN 54 48.553 -12.680 34.712 316 HA GLN 54 HA GLN 54 48.781 -9.964 35.302 317 HB3 GLN 54 HB2 GLN 54 48.959 -10.120 32.530 318 HG3 GLN 54 HG2 GLN 54 51.440 -10.959 33.618 319 HE21 GLN 54 HE21 GLN 54 52.792 -10.039 32.268 320 HE22 GLN 54 HE22 GLN 54 52.601 -8.492 31.523 321 H GLY 55 H GLY 55 46.224 -11.739 33.778 322 HA2 GLY 55 HA2 GLY 55 44.980 -9.502 32.497 323 HA3 GLY 55 HA3 GLY 55 44.251 -11.076 32.782 324 H VAL 56 H VAL 56 44.863 -10.853 35.699 325 HA VAL 56 HA VAL 56 42.390 -9.812 36.538 326 HB VAL 56 HB VAL 56 44.845 -10.277 38.236 327 HG11 VAL 56 HG11 VAL 56 42.686 -10.855 39.783 328 HG12 VAL 56 HG12 VAL 56 43.535 -9.307 39.783 329 HG13 VAL 56 HG13 VAL 56 42.072 -9.513 38.817 330 HG21 VAL 56 HG21 VAL 56 43.254 -12.421 38.668 331 HG22 VAL 56 HG22 VAL 56 42.933 -12.116 36.960 332 HG23 VAL 56 HG23 VAL 56 44.585 -12.396 37.511 333 H HIS 57 H HIS 57 45.481 -8.331 36.059 334 HA HIS 57 HA HIS 57 44.966 -6.022 37.687 335 HB3 HIS 57 HB2 HIS 57 46.971 -5.920 35.488 336 HD1 HIS 57 HD1 HIS 57 47.885 -3.661 35.910 337 HD2 HIS 57 HD2 HIS 57 47.189 -5.731 39.443 338 HE1 HIS 57 HE1 HIS 57 48.739 -2.167 37.744 339 H ASP 58 H ASP 58 44.326 -6.974 34.419 340 HA ASP 58 HA ASP 58 44.064 -4.507 33.159 341 HB3 ASP 58 HB2 ASP 58 42.198 -6.804 32.614 342 H SER 59 H SER 59 42.052 -6.035 35.519 343 HA SER 59 HA SER 59 39.769 -4.331 34.990 344 HB3 SER 59 HB2 SER 59 38.588 -5.677 36.435 345 HG SER 59 HG SER 59 39.427 -7.160 35.011 346 H ALA 60 H ALA 60 41.954 -4.850 37.761 347 HA ALA 60 HA ALA 60 41.090 -2.717 39.320 348 HB1 ALA 60 HB1 ALA 60 43.428 -2.822 40.308 349 HB2 ALA 60 HB2 ALA 60 42.480 -4.310 40.346 350 HB3 ALA 60 HB3 ALA 60 43.749 -4.102 39.137 351 H GLU 61 H GLU 61 43.070 -2.740 36.482 352 HA GLU 61 HA GLU 61 44.540 -0.416 36.727 353 HB3 GLU 61 HB2 GLU 61 43.367 -0.678 34.073 354 HG3 GLU 61 HG2 GLU 61 45.586 0.321 34.581 355 H LYS 62 H LYS 62 41.416 -0.621 35.011 356 HA LYS 62 HA LYS 62 39.817 0.946 34.594 357 HB3 LYS 62 HB2 LYS 62 40.265 2.389 37.125 358 HG3 LYS 62 HG2 LYS 62 38.077 1.729 35.489 359 HD3 LYS 62 HD2 LYS 62 37.301 0.908 38.214 360 HE3 LYS 62 HE2 LYS 62 35.916 -0.694 36.852 361 HZ1 LYS 62 HZ1 LYS 62 34.899 1.330 37.517 362 HZ2 LYS 62 HZ2 LYS 62 34.499 1.093 35.891 363 HZ3 LYS 62 HZ3 LYS 62 35.693 2.215 36.312 364 H GLY 63 H GLY 63 39.454 3.572 35.196 365 HA2 GLY 63 HA2 GLY 63 41.516 5.357 35.173 366 HA3 GLY 63 HA3 GLY 63 41.415 4.822 33.503 367 H LYS 64 H LYS 64 39.987 5.779 32.192 368 HA LYS 64 HA LYS 64 37.475 6.766 32.913 369 HB3 LYS 64 HB2 LYS 64 39.071 9.176 32.370 370 HG3 LYS 64 HG2 LYS 64 37.493 9.130 34.803 371 HD3 LYS 64 HD2 LYS 64 36.507 10.737 32.602 372 HE3 LYS 64 HE2 LYS 64 36.243 11.136 35.068 373 HZ1 LYS 64 HZ1 LYS 64 37.963 11.815 36.361 374 HZ2 LYS 64 HZ2 LYS 64 38.850 12.458 35.072 375 HZ3 LYS 64 HZ3 LYS 64 38.822 10.786 35.330 376 H ASP 65 H ASP 65 37.047 8.817 31.191 377 HA ASP 65 HA ASP 65 37.922 7.734 28.593 378 HB3 ASP 65 HB2 ASP 65 35.385 9.221 28.618 379 H ASN 66 H ASN 66 37.730 9.356 26.790 380 HA ASN 66 HA ASN 66 37.888 12.141 27.518 381 HB3 ASN 66 HB2 ASN 66 40.312 11.231 26.068 382 HD21 ASN 66 HD21 ASN 66 41.677 12.869 25.913 383 HD22 ASN 66 HD22 ASN 66 41.594 14.338 26.818 384 H ALA 67 H ALA 67 38.810 13.345 25.386 385 HA ALA 67 HA ALA 67 37.087 12.372 23.223 386 HB1 ALA 67 HB1 ALA 67 36.528 14.581 23.829 387 HB2 ALA 67 HB2 ALA 67 38.218 15.086 23.852 388 HB3 ALA 67 HB3 ALA 67 37.429 14.713 22.320 389 H GLU 68 H GLU 68 39.832 11.363 23.840 390 HA GLU 68 HA GLU 68 40.880 11.619 21.128 391 HB3 GLU 68 HB2 GLU 68 43.234 11.718 22.300 392 HG3 GLU 68 HG2 GLU 68 41.642 13.641 21.092 393 H GLY 69 H GLY 69 39.532 9.544 22.778 394 HA2 GLY 69 HA2 GLY 69 41.490 7.419 22.273 395 HA3 GLY 69 HA3 GLY 69 40.776 7.522 23.876 396 H GLN 70 H GLN 70 40.347 6.507 20.625 397 HA GLN 70 HA GLN 70 37.612 6.228 20.389 398 HB3 GLN 70 HB2 GLN 70 39.763 4.335 19.423 399 HG3 GLN 70 HG2 GLN 70 36.950 4.695 18.415 400 HE21 GLN 70 HE21 GLN 70 36.536 3.955 16.437 401 HE22 GLN 70 HE22 GLN 70 37.680 3.173 15.405 402 H GLY 71 H GLY 71 36.331 5.475 21.963 403 HA2 GLY 71 HA2 GLY 71 36.713 2.709 22.819 404 HA3 GLY 71 HA3 GLY 71 36.693 3.931 24.081 405 H GLU 72 H GLU 72 34.734 5.556 23.671 406 HA GLU 72 HA GLU 72 32.349 3.870 23.265 407 HB3 GLU 72 HB2 GLU 72 31.302 5.638 24.878 408 HG3 GLU 72 HG2 GLU 72 33.113 4.090 26.543 409 H SER 73 H SER 73 30.341 5.251 22.841 410 HA SER 73 HA SER 73 30.797 7.743 21.457 411 HB3 SER 73 HB2 SER 73 31.145 6.764 19.450 412 HG SER 73 HG SER 73 30.190 4.465 19.211 413 H LEU 74 H LEU 74 29.296 8.759 22.690 414 HA LEU 74 HA LEU 74 26.877 7.759 23.601 415 HB3 LEU 74 HB2 LEU 74 27.637 10.587 22.887 416 HG LEU 74 HG LEU 74 25.190 10.465 23.130 417 HD11 LEU 74 HD11 LEU 74 24.688 8.668 24.479 418 HD12 LEU 74 HD12 LEU 74 24.457 10.019 25.589 419 HD13 LEU 74 HD13 LEU 74 25.938 9.065 25.658 420 HD21 LEU 74 HD21 LEU 74 25.144 11.995 25.260 421 HD22 LEU 74 HD22 LEU 74 25.937 12.535 23.780 422 HD23 LEU 74 HD23 LEU 74 26.899 11.893 25.111 423 H ALA 75 H ALA 75 27.745 8.948 20.458 424 HA ALA 75 HA ALA 75 25.306 9.652 19.373 425 HB1 ALA 75 HB1 ALA 75 26.566 8.307 17.313 426 HB2 ALA 75 HB2 ALA 75 26.759 10.011 17.723 427 HB3 ALA 75 HB3 ALA 75 27.891 8.818 18.358 428 H ASP 76 H ASP 76 26.545 6.481 20.133 429 HA ASP 76 HA ASP 76 24.565 5.047 18.629 430 HB3 ASP 76 HB2 ASP 76 25.958 3.748 20.914 431 H GLN 77 H GLN 77 24.905 6.185 21.930 432 HA GLN 77 HA GLN 77 22.650 4.735 22.935 433 HB3 GLN 77 HB2 GLN 77 23.015 6.810 24.690 434 HG3 GLN 77 HG2 GLN 77 24.998 5.026 25.431 435 HE21 GLN 77 HE21 GLN 77 24.537 4.191 27.421 436 HE22 GLN 77 HE22 GLN 77 23.032 4.441 28.232 437 H ALA 78 H ALA 78 23.137 7.781 21.356 438 HA ALA 78 HA ALA 78 20.695 9.006 22.166 439 HB1 ALA 78 HB1 ALA 78 21.474 10.079 19.684 440 HB2 ALA 78 HB2 ALA 78 21.745 10.754 21.291 441 HB3 ALA 78 HB3 ALA 78 22.957 9.702 20.561 442 H ARG 79 H ARG 79 21.705 7.318 19.200 443 HA ARG 79 HA ARG 79 19.289 7.543 17.815 444 HB3 ARG 79 HB2 ARG 79 20.243 5.183 16.892 445 HG3 ARG 79 HG2 ARG 79 21.805 6.549 15.422 446 HD3 ARG 79 HD2 ARG 79 19.083 7.765 15.438 447 HE ARG 79 HE ARG 79 19.988 8.197 13.373 448 HH11 ARG 79 HH11 ARG 79 20.488 4.851 14.189 449 HH12 ARG 79 HH12 ARG 79 21.052 4.413 12.609 450 HH21 ARG 79 HH21 ARG 79 20.730 7.636 11.290 451 HH22 ARG 79 HH22 ARG 79 21.191 6.000 10.962 452 H ASP 80 H ASP 80 20.238 5.458 20.415 453 HA ASP 80 HA ASP 80 18.164 3.519 20.035 454 HB3 ASP 80 HB2 ASP 80 19.233 3.779 22.753 455 H TYR 81 H TYR 81 18.565 6.437 21.962 456 HA TYR 81 HA TYR 81 16.099 6.088 23.392 457 HB3 TYR 81 HB2 TYR 81 17.015 8.818 23.380 458 HD1 TYR 81 HD1 TYR 81 14.830 7.438 24.752 459 HD2 TYR 81 HD2 TYR 81 18.903 7.893 25.896 460 HE1 TYR 81 HE1 TYR 81 14.188 7.201 27.115 461 HE2 TYR 81 HE2 TYR 81 18.272 7.655 28.261 462 HH TYR 81 HH TYR 81 16.297 6.532 29.536 463 H MET 82 H MET 82 17.131 7.698 20.470 464 HA MET 82 HA MET 82 14.765 9.280 20.164 465 HB3 MET 82 HB2 MET 82 15.734 9.261 17.682 466 HG3 MET 82 HG2 MET 82 17.633 10.855 18.684 467 HE1 MET 82 HE1 MET 82 14.647 13.312 19.944 468 HE2 MET 82 HE2 MET 82 13.437 12.173 19.352 469 HE3 MET 82 HE3 MET 82 14.690 11.628 20.469 470 H GLY 83 H GLY 83 15.996 6.376 18.489 471 HA2 GLY 83 HA2 GLY 83 13.789 5.917 16.858 472 HA3 GLY 83 HA3 GLY 83 14.890 4.670 17.425 473 H ALA 84 H ALA 84 14.298 5.055 20.230 474 HA ALA 84 HA ALA 84 12.238 3.214 20.566 475 HB1 ALA 84 HB1 ALA 84 12.220 4.340 22.970 476 HB2 ALA 84 HB2 ALA 84 13.540 3.304 22.428 477 HB3 ALA 84 HB3 ALA 84 13.713 5.056 22.360 478 H ALA 85 H ALA 85 12.155 6.752 20.957 479 HA ALA 85 HA ALA 85 9.476 6.984 21.706 480 HB1 ALA 85 HB1 ALA 85 10.368 9.015 21.995 481 HB2 ALA 85 HB2 ALA 85 11.566 8.775 20.722 482 HB3 ALA 85 HB3 ALA 85 9.931 9.289 20.307 483 H LYS 86 H LYS 86 10.946 6.577 18.559 484 HA LYS 86 HA LYS 86 8.741 7.329 16.971 485 HB3 LYS 86 HB2 LYS 86 9.863 6.224 15.157 486 HG3 LYS 86 HG2 LYS 86 12.119 7.068 15.264 487 HD3 LYS 86 HD2 LYS 86 10.374 8.958 16.831 488 HE3 LYS 86 HE2 LYS 86 11.900 9.959 14.566 489 HZ1 LYS 86 HZ1 LYS 86 11.612 11.737 15.828 490 HZ2 LYS 86 HZ2 LYS 86 12.703 11.106 16.955 491 HZ3 LYS 86 HZ3 LYS 86 11.048 10.803 17.122 492 H SER 87 H SER 87 9.864 4.084 17.937 493 HA SER 87 HA SER 87 7.703 2.672 16.847 494 HB3 SER 87 HB2 SER 87 9.056 1.696 19.335 495 HG SER 87 HG SER 87 9.044 0.140 17.098 496 H LYS 88 H LYS 88 8.214 3.959 20.111 497 HA LYS 88 HA LYS 88 5.834 2.966 21.240 498 HB3 LYS 88 HB2 LYS 88 6.186 4.905 22.885 499 HG3 LYS 88 HG2 LYS 88 8.263 3.970 23.844 500 HD3 LYS 88 HD2 LYS 88 7.247 1.433 23.467 501 HE3 LYS 88 HE2 LYS 88 5.829 3.278 25.322 502 HZ1 LYS 88 HZ1 LYS 88 5.799 0.706 25.260 503 HZ2 LYS 88 HZ2 LYS 88 5.906 1.498 26.752 504 HZ3 LYS 88 HZ3 LYS 88 7.292 0.832 26.047 505 H LEU 89 H LEU 89 6.592 6.180 19.901 506 HA LEU 89 HA LEU 89 4.144 7.401 20.272 507 HB3 LEU 89 HB2 LEU 89 6.027 7.703 17.937 508 HG LEU 89 HG LEU 89 4.079 8.903 17.303 509 HD11 LEU 89 HD11 LEU 89 3.508 10.794 19.193 510 HD12 LEU 89 HD12 LEU 89 3.851 9.371 20.176 511 HD13 LEU 89 HD13 LEU 89 2.603 9.302 18.932 512 HD21 LEU 89 HD21 LEU 89 6.520 10.167 17.881 513 HD22 LEU 89 HD22 LEU 89 5.250 11.295 18.360 514 HD23 LEU 89 HD23 LEU 89 5.295 10.663 16.713 515 H ASN 90 H ASN 90 5.221 5.632 17.367 516 HA ASN 90 HA ASN 90 2.820 5.796 15.954 517 HB3 ASN 90 HB2 ASN 90 4.185 3.276 15.490 518 HD21 ASN 90 HD21 ASN 90 5.836 4.880 13.480 519 HD22 ASN 90 HD22 ASN 90 4.707 5.228 12.220 520 H ASP 91 H ASP 91 3.771 3.743 18.586 521 HA ASP 91 HA ASP 91 1.763 1.752 18.229 522 HB3 ASP 91 HB2 ASP 91 2.542 2.029 20.986 523 H ALA 92 H ALA 92 1.936 4.800 19.969 524 HA ALA 92 HA ALA 92 -0.606 4.414 21.279 525 HB1 ALA 92 HB1 ALA 92 0.175 5.988 22.630 526 HB2 ALA 92 HB2 ALA 92 1.608 6.132 21.613 527 HB3 ALA 92 HB3 ALA 92 0.202 7.149 21.302 528 H VAL 93 H VAL 93 0.639 6.429 18.631 529 HA VAL 93 HA VAL 93 -1.642 7.873 18.033 530 HB VAL 93 HB VAL 93 0.271 6.777 15.971 531 HG11 VAL 93 HG11 VAL 93 -1.807 7.876 15.152 532 HG12 VAL 93 HG12 VAL 93 -1.304 9.348 15.987 533 HG13 VAL 93 HG13 VAL 93 -0.325 8.701 14.669 534 HG21 VAL 93 HG21 VAL 93 0.970 9.409 16.681 535 HG22 VAL 93 HG22 VAL 93 0.788 8.513 18.188 536 HG23 VAL 93 HG23 VAL 93 1.898 7.933 16.946 537 H GLU 94 H GLU 94 -0.623 4.792 16.547 538 HA GLU 94 HA GLU 94 -2.781 4.354 14.901 539 HB3 GLU 94 HB2 GLU 94 -2.078 1.858 16.108 540 HG3 GLU 94 HG2 GLU 94 -0.541 2.245 13.787 541 H TYR 95 H TYR 95 -2.532 3.810 18.365 542 HA TYR 95 HA TYR 95 -5.062 2.480 18.578 543 HB3 TYR 95 HB2 TYR 95 -3.436 3.788 20.767 544 HD1 TYR 95 HD2 TYR 95 -5.720 4.351 21.764 545 HD2 TYR 95 HD1 TYR 95 -4.410 0.363 21.076 546 HE1 TYR 95 HE2 TYR 95 -7.402 3.529 23.360 547 HE2 TYR 95 HE1 TYR 95 -6.087 -0.471 22.669 548 HH TYR 95 HH TYR 95 -8.572 0.741 23.525 549 H VAL 96 H VAL 96 -3.878 5.764 19.114 550 HA VAL 96 HA VAL 96 -6.257 6.821 20.205 551 HB VAL 96 HB VAL 96 -4.161 8.307 18.620 552 HG11 VAL 96 HG11 VAL 96 -4.931 10.274 19.698 553 HG12 VAL 96 HG12 VAL 96 -6.361 9.452 19.071 554 HG13 VAL 96 HG13 VAL 96 -5.967 9.352 20.788 555 HG21 VAL 96 HG21 VAL 96 -3.789 8.730 21.361 556 HG22 VAL 96 HG22 VAL 96 -4.001 6.988 21.171 557 HG23 VAL 96 HG23 VAL 96 -2.743 7.829 20.265 558 H SER 97 H SER 97 -4.965 6.930 16.886 559 HA SER 97 HA SER 97 -7.101 8.309 15.726 560 HB3 SER 97 HB2 SER 97 -5.992 6.379 13.884 561 HG SER 97 HG SER 97 -5.250 8.303 12.915 562 H GLY 98 H GLY 98 -6.710 4.931 16.538 563 HA2 GLY 98 HA2 GLY 98 -8.984 4.046 15.012 564 HA3 GLY 98 HA3 GLY 98 -8.081 3.099 16.184 565 H ARG 99 H ARG 99 -8.496 5.363 18.168 566 HA ARG 99 HA ARG 99 -11.032 4.364 19.174 567 HB3 ARG 99 HB2 ARG 99 -10.162 6.217 21.003 568 HG3 ARG 99 HG2 ARG 99 -8.811 4.067 21.888 569 HD3 ARG 99 HD2 ARG 99 -11.810 4.035 21.872 570 HE ARG 99 HE ARG 99 -9.893 2.766 23.477 571 HH11 ARG 99 HH11 ARG 99 -12.841 4.593 23.779 572 HH12 ARG 99 HH12 ARG 99 -13.313 3.835 25.264 573 HH21 ARG 99 HH21 ARG 99 -10.502 1.762 25.431 574 HH22 ARG 99 HH22 ARG 99 -11.981 2.226 26.203 575 H VAL 100 H VAL 100 -9.561 7.512 18.412 576 HA VAL 100 HA VAL 100 -11.675 9.177 19.013 577 HB VAL 100 HB VAL 100 -9.722 9.437 16.721 578 HG11 VAL 100 HG11 VAL 100 -10.538 11.963 17.643 579 HG12 VAL 100 HG12 VAL 100 -10.877 11.222 16.078 580 HG13 VAL 100 HG13 VAL 100 -12.010 11.018 17.415 581 HG21 VAL 100 HG21 VAL 100 -9.569 9.921 19.616 582 HG22 VAL 100 HG22 VAL 100 -8.286 9.602 18.448 583 HG23 VAL 100 HG23 VAL 100 -8.950 11.227 18.606 584 H HIS 101 H HIS 101 -11.102 7.334 16.046 585 HA HIS 101 HA HIS 101 -12.452 6.785 14.299 586 HB3 HIS 101 HB2 HIS 101 -14.652 7.371 16.291 587 HD1 HIS 101 HD1 HIS 101 -13.988 5.218 13.213 588 HD2 HIS 101 HD2 HIS 101 -17.082 7.214 15.140 589 HE1 HIS 101 HE1 HIS 101 -16.020 4.858 11.775 590 H GLY 102 H GLY 102 -11.845 8.535 12.995 591 HA2 GLY 102 HA2 GLY 102 -13.654 10.861 13.043 592 HA3 GLY 102 HA3 GLY 102 -12.040 10.852 12.350 593 H GLU 103 H GLU 103 -11.854 9.000 10.587 594 HA GLU 103 HA GLU 103 -14.183 8.473 9.039 595 HB3 GLU 103 HB2 GLU 103 -14.069 10.780 8.416 596 HG3 GLU 103 HG2 GLU 103 -11.277 10.501 8.715 597 H GLU 104 H GLU 104 -13.702 7.285 7.071 598 HA GLU 104 HA GLU 104 -11.112 6.590 6.252 599 HB3 GLU 104 HB2 GLU 104 -12.036 4.112 7.419 600 HG3 GLU 104 HG2 GLU 104 -9.535 5.732 7.490 601 H ASP 105 H ASP 105 -11.119 5.243 4.455 602 HA ASP 105 HA ASP 105 -13.587 3.920 3.677 603 HB3 ASP 105 HB2 ASP 105 -13.231 5.115 1.338 604 HA PRO 106 HA PRO 106 -9.658 1.743 2.474 605 HB3 PRO 106 HB2 PRO 106 -9.579 0.603 4.467 606 HG3 PRO 106 HG2 PRO 106 -11.494 0.295 5.751 607 HD3 PRO 106 HD2 PRO 106 -11.629 2.565 5.374 608 H THR 107 H THR 107 -9.610 -0.561 1.391 609 HA THR 107 HA THR 107 -12.007 -1.007 -0.231 610 HB THR 107 HB THR 107 -9.777 -1.345 -1.961 611 HG1 THR 107 HG1 THR 107 -8.747 0.571 -1.856 612 HG21 THR 107 HG21 THR 107 -10.959 0.371 -3.294 613 HG22 THR 107 HG22 THR 107 -12.010 0.689 -1.914 614 HG23 THR 107 HG23 THR 107 -12.041 -0.888 -2.701 615 H LYS 108 H LYS 108 -11.800 -3.039 -1.552 616 HA LYS 108 HA LYS 108 -9.860 -4.990 -1.058 617 HB3 LYS 108 HB2 LYS 108 -12.062 -6.152 0.360 618 HG3 LYS 108 HG2 LYS 108 -9.526 -5.369 1.709 619 HD3 LYS 108 HD2 LYS 108 -11.533 -6.846 2.586 620 HE3 LYS 108 HE2 LYS 108 -9.795 -8.999 1.445 621 HZ1 LYS 108 HZ1 LYS 108 -12.027 -8.899 3.124 622 HZ2 LYS 108 HZ2 LYS 108 -11.199 -10.265 2.565 623 HZ3 LYS 108 HZ3 LYS 108 -12.505 -9.649 1.685 624 H LYS 109 H LYS 109 -10.200 -6.825 -2.280 625 HA LYS 109 HA LYS 109 -11.058 -8.086 -3.967 626 HB3 LYS 109 HB2 LYS 109 -13.879 -7.492 -3.423 627 HG3 LYS 109 HG2 LYS 109 -12.717 -9.583 -4.513 628 HD3 LYS 109 HD2 LYS 109 -12.898 -10.390 -1.610 629 HE3 LYS 109 HE2 LYS 109 -13.445 -12.141 -3.283 630 HZ1 LYS 109 HZ1 LYS 109 -11.330 -11.057 -4.685 631 HZ2 LYS 109 HZ2 LYS 109 -12.215 -12.441 -5.085 632 HZ3 LYS 109 HZ3 LYS 109 -10.793 -12.579 -4.178 Start of MODEL 13 1 H1 MET 1 H MET 1 41.892 38.323 22.116 2 HA MET 1 HA MET 1 43.949 38.418 23.689 3 HB3 MET 1 HB2 MET 1 43.019 35.620 24.270 4 HG3 MET 1 HG2 MET 1 45.317 37.162 24.951 5 HE1 MET 1 HE1 MET 1 46.343 35.678 27.726 6 HE2 MET 1 HE2 MET 1 45.105 35.589 28.977 7 HE3 MET 1 HE3 MET 1 44.940 34.633 27.504 8 H SER 2 H SER 2 44.256 38.580 21.276 9 HA SER 2 HA SER 2 45.570 36.135 20.350 10 HB3 SER 2 HB2 SER 2 44.610 36.783 17.997 11 HG SER 2 HG SER 2 43.584 35.003 18.376 12 H ASP 3 H ASP 3 46.750 36.695 18.173 13 HA ASP 3 HA ASP 3 47.582 39.348 17.700 14 HB3 ASP 3 HB2 ASP 3 49.780 37.767 18.990 15 H ALA 4 H ALA 4 48.272 39.398 15.666 16 HA ALA 4 HA ALA 4 50.156 37.657 14.536 17 HB1 ALA 4 HB1 ALA 4 47.493 36.609 14.583 18 HB2 ALA 4 HB2 ALA 4 47.989 36.893 12.914 19 HB3 ALA 4 HB3 ALA 4 48.971 35.872 13.963 20 H GLY 5 H GLY 5 50.572 38.104 12.284 21 HA2 GLY 5 HA2 GLY 5 49.094 39.841 10.677 22 HA3 GLY 5 HA3 GLY 5 50.200 40.827 11.620 23 H ARG 6 H ARG 6 50.474 40.942 8.964 24 HA ARG 6 HA ARG 6 52.700 39.140 8.301 25 HB3 ARG 6 HB2 ARG 6 52.259 39.559 6.002 26 HG3 ARG 6 HG2 ARG 6 50.323 38.414 7.563 27 HD3 ARG 6 HD2 ARG 6 49.217 40.777 6.169 28 HE ARG 6 HE ARG 6 47.254 38.714 6.358 29 HH11 ARG 6 HH11 ARG 6 49.708 40.079 4.301 30 HH12 ARG 6 HH12 ARG 6 48.971 39.524 2.834 31 HH21 ARG 6 HH21 ARG 6 46.273 37.978 4.434 32 HH22 ARG 6 HH22 ARG 6 47.018 38.329 2.911 33 H LYS 7 H LYS 7 53.990 40.545 6.372 34 HA LYS 7 HA LYS 7 55.599 42.115 6.030 35 HB3 LYS 7 HB2 LYS 7 54.457 44.119 7.864 36 HG3 LYS 7 HG2 LYS 7 55.849 44.088 5.394 37 HD3 LYS 7 HD2 LYS 7 53.595 44.163 4.362 38 HE3 LYS 7 HE2 LYS 7 53.081 45.967 6.486 39 HZ1 LYS 7 HZ1 LYS 7 52.500 47.930 5.523 40 HZ2 LYS 7 HZ2 LYS 7 52.274 47.261 3.987 41 HZ3 LYS 7 HZ3 LYS 7 53.839 47.551 4.561 42 H GLY 8 H GLY 8 57.221 43.571 7.232 43 HA2 GLY 8 HA2 GLY 8 58.712 43.910 8.964 44 HA3 GLY 8 HA3 GLY 8 57.589 43.086 10.035 45 H PHE 9 H PHE 9 57.474 40.661 9.713 46 HA PHE 9 HA PHE 9 60.200 39.651 9.695 47 HB3 PHE 9 HB2 PHE 9 58.205 37.618 10.153 48 HD1 PHE 9 HD1 PHE 9 60.028 40.029 12.341 49 HD2 PHE 9 HD2 PHE 9 59.584 36.007 11.021 50 HE1 PHE 9 HE1 PHE 9 61.757 39.318 13.940 51 HE2 PHE 9 HE2 PHE 9 61.311 35.289 12.620 52 HZ PHE 9 HZ PHE 9 62.399 36.945 14.083 53 H GLY 10 H GLY 10 57.387 39.644 7.697 54 HA2 GLY 10 HA2 GLY 10 57.824 37.295 6.215 55 HA3 GLY 10 HA3 GLY 10 56.941 38.706 5.652 56 H GLU 11 H GLU 11 58.687 40.651 5.365 57 HA GLU 11 HA GLU 11 60.025 40.117 3.006 58 HB3 GLU 11 HB2 GLU 11 59.649 42.376 3.425 59 HG3 GLU 11 HG2 GLU 11 60.915 41.956 6.114 60 H LYS 12 H LYS 12 61.256 40.057 6.319 61 HA LYS 12 HA LYS 12 63.959 39.536 5.593 62 HB3 LYS 12 HB2 LYS 12 64.341 39.144 7.931 63 HG3 LYS 12 HG2 LYS 12 63.401 41.070 9.010 64 HD3 LYS 12 HD2 LYS 12 63.571 42.025 6.194 65 HE3 LYS 12 HE2 LYS 12 65.010 42.832 8.720 66 HZ1 LYS 12 HZ1 LYS 12 66.207 44.080 7.357 67 HZ2 LYS 12 HZ2 LYS 12 64.804 44.922 6.931 68 HZ3 LYS 12 HZ3 LYS 12 65.308 43.597 6.008 69 H ALA 13 H ALA 13 61.267 37.482 6.647 70 HA ALA 13 HA ALA 13 62.562 35.051 6.847 71 HB1 ALA 13 HB1 ALA 13 59.808 35.936 6.429 72 HB2 ALA 13 HB2 ALA 13 60.148 34.326 5.791 73 HB3 ALA 13 HB3 ALA 13 60.451 34.683 7.492 74 H SER 14 H SER 14 60.979 36.408 3.954 75 HA SER 14 HA SER 14 61.668 34.323 2.211 76 HB3 SER 14 HB2 SER 14 61.582 36.764 0.743 77 HG SER 14 HG SER 14 59.693 35.859 -0.015 78 H GLU 15 H GLU 15 63.477 37.042 3.388 79 HA GLU 15 HA GLU 15 65.527 36.895 1.377 80 HB3 GLU 15 HB2 GLU 15 66.753 38.399 3.072 81 HG3 GLU 15 HG2 GLU 15 64.438 39.991 2.684 82 H ALA 16 H ALA 16 65.050 35.669 4.636 83 HA ALA 16 HA ALA 16 67.703 34.746 5.036 84 HB1 ALA 16 HB1 ALA 16 66.583 34.929 7.025 85 HB2 ALA 16 HB2 ALA 16 65.079 34.285 6.364 86 HB3 ALA 16 HB3 ALA 16 66.418 33.198 6.728 87 H LEU 17 H LEU 17 64.714 33.054 4.088 88 HA LEU 17 HA LEU 17 65.900 30.529 3.728 89 HB3 LEU 17 HB2 LEU 17 63.547 30.652 3.957 90 HG LEU 17 HG LEU 17 63.429 32.967 2.634 91 HD11 LEU 17 HD11 LEU 17 62.950 32.859 0.440 92 HD12 LEU 17 HD12 LEU 17 62.058 31.348 0.598 93 HD13 LEU 17 HD13 LEU 17 63.820 31.327 0.526 94 HD21 LEU 17 HD21 LEU 17 61.397 32.827 3.509 95 HD22 LEU 17 HD22 LEU 17 61.592 31.084 3.701 96 HD23 LEU 17 HD23 LEU 17 60.905 31.737 2.212 97 H LYS 18 H LYS 18 65.382 33.234 1.520 98 HA LYS 18 HA LYS 18 66.000 32.074 -0.901 99 HB3 LYS 18 HB2 LYS 18 67.244 34.564 -1.009 100 HG3 LYS 18 HG2 LYS 18 64.333 34.657 -1.307 101 HD3 LYS 18 HD2 LYS 18 66.676 35.095 -3.158 102 HE3 LYS 18 HE2 LYS 18 64.067 36.296 -3.774 103 HZ1 LYS 18 HZ1 LYS 18 64.782 36.071 -5.928 104 HZ2 LYS 18 HZ2 LYS 18 65.705 34.690 -5.612 105 HZ3 LYS 18 HZ3 LYS 18 66.263 36.210 -5.122 106 HA PRO 19 HA PRO 19 70.247 30.971 -0.916 107 HB3 PRO 19 HB2 PRO 19 69.977 30.333 -3.107 108 HG3 PRO 19 HG2 PRO 19 68.639 31.562 -4.559 109 HD3 PRO 19 HD2 PRO 19 67.188 31.329 -2.783 110 H ASP 20 H ASP 20 72.465 31.980 -1.924 111 HA ASP 20 HA ASP 20 72.859 34.740 -1.900 112 HB3 ASP 20 HB2 ASP 20 74.097 34.026 0.609 113 H SER 21 H SER 21 74.131 31.557 -1.183 114 HA SER 21 HA SER 21 76.128 30.555 -1.620 115 HB3 SER 21 HB2 SER 21 77.121 32.405 -3.627 116 HG SER 21 HG SER 21 76.284 30.304 -4.811 117 H GLN 22 H GLN 22 75.988 32.814 0.302 118 HA GLN 22 HA GLN 22 78.829 33.599 0.248 119 HB3 GLN 22 HB2 GLN 22 77.929 35.465 1.848 120 HG3 GLN 22 HG2 GLN 22 76.910 36.102 -0.814 121 HE21 GLN 22 HE21 GLN 22 80.016 36.521 0.834 122 HE22 GLN 22 HE22 GLN 22 79.873 38.229 1.042 123 H LYS 23 H LYS 23 76.466 31.810 1.844 124 HA LYS 23 HA LYS 23 78.118 31.684 4.281 125 HB3 LYS 23 HB2 LYS 23 76.055 32.565 4.983 126 HG3 LYS 23 HG2 LYS 23 73.921 31.123 4.414 127 HD3 LYS 23 HD2 LYS 23 74.037 32.648 2.125 128 HE3 LYS 23 HE2 LYS 23 72.268 32.836 3.723 129 HZ1 LYS 23 HZ1 LYS 23 74.426 33.497 5.559 130 HZ2 LYS 23 HZ2 LYS 23 72.983 32.660 5.841 131 HZ3 LYS 23 HZ3 LYS 23 72.981 34.350 5.770 132 H SER 24 H SER 24 77.340 29.475 5.484 133 HA SER 24 HA SER 24 78.325 27.394 3.752 134 HB3 SER 24 HB2 SER 24 77.327 26.562 6.382 135 HG SER 24 HG SER 24 79.526 25.837 6.492 136 H TYR 25 H TYR 25 75.340 28.692 4.214 137 HA TYR 25 HA TYR 25 73.581 26.585 4.553 138 HB3 TYR 25 HB2 TYR 25 72.715 28.498 2.508 139 HD1 TYR 25 HD2 TYR 25 72.449 27.931 6.200 140 HD2 TYR 25 HD1 TYR 25 70.429 28.270 2.472 141 HE1 TYR 25 HE2 TYR 25 70.301 27.551 7.337 142 HE2 TYR 25 HE1 TYR 25 68.273 27.891 3.598 143 HH TYR 25 HH TYR 25 68.031 27.740 7.092 144 H ALA 26 H ALA 26 75.517 27.422 1.792 145 HA ALA 26 HA ALA 26 74.205 26.173 -0.286 146 HB1 ALA 26 HB1 ALA 26 76.038 27.202 -1.106 147 HB2 ALA 26 HB2 ALA 26 77.016 26.829 0.314 148 HB3 ALA 26 HB3 ALA 26 76.755 25.601 -0.924 149 H GLU 27 H GLU 27 76.451 24.718 2.055 150 HA GLU 27 HA GLU 27 76.138 22.085 0.952 151 HB3 GLU 27 HB2 GLU 27 77.158 22.152 3.671 152 HG3 GLU 27 HG2 GLU 27 78.460 21.529 1.031 153 H GLN 28 H GLN 28 74.815 23.881 3.672 154 HA GLN 28 HA GLN 28 73.587 21.820 5.069 155 HB3 GLN 28 HB2 GLN 28 72.087 23.515 5.975 156 HG3 GLN 28 HG2 GLN 28 74.694 24.921 5.520 157 HE21 GLN 28 HE21 GLN 28 75.412 25.540 7.896 158 HE22 GLN 28 HE22 GLN 28 74.195 26.380 8.791 159 H GLY 29 H GLY 29 72.213 23.845 2.475 160 HA2 GLY 29 HA2 GLY 29 69.711 22.579 2.360 161 HA3 GLY 29 HA3 GLY 29 70.454 23.482 1.047 162 H LYS 30 H LYS 30 72.590 22.037 0.329 163 HA LYS 30 HA LYS 30 71.598 20.053 -1.305 164 HB3 LYS 30 HB2 LYS 30 73.936 19.289 -1.554 165 HG3 LYS 30 HG2 LYS 30 73.415 22.236 -1.519 166 HD3 LYS 30 HD2 LYS 30 75.948 21.277 -1.174 167 HE3 LYS 30 HE2 LYS 30 75.260 21.162 -4.055 168 HZ1 LYS 30 HZ1 LYS 30 76.728 22.962 -4.212 169 HZ2 LYS 30 HZ2 LYS 30 77.689 21.604 -4.517 170 HZ3 LYS 30 HZ3 LYS 30 77.752 22.362 -3.006 171 H GLU 31 H GLU 31 73.386 19.552 1.744 172 HA GLU 31 HA GLU 31 73.034 16.770 1.835 173 HB3 GLU 31 HB2 GLU 31 73.839 18.879 3.756 174 HG3 GLU 31 HG2 GLU 31 72.770 16.224 4.616 175 H TYR 32 H TYR 32 70.939 19.394 2.702 176 HA TYR 32 HA TYR 32 69.198 18.000 4.434 177 HB3 TYR 32 HB2 TYR 32 68.520 20.337 2.639 178 HD1 TYR 32 HD2 TYR 32 66.164 19.744 2.483 179 HD2 TYR 32 HD1 TYR 32 68.074 20.135 6.263 180 HE1 TYR 32 HE2 TYR 32 63.965 19.813 3.579 181 HE2 TYR 32 HE1 TYR 32 65.879 20.204 7.372 182 HH TYR 32 HH TYR 32 63.271 20.964 6.241 183 H ILE 33 H ILE 33 69.112 18.590 0.938 184 HA ILE 33 HA ILE 33 66.649 17.220 0.522 185 HB ILE 33 HB ILE 33 68.735 17.601 -1.607 186 HG13 ILE 33 HG12 ILE 33 68.744 19.760 -0.745 187 HG21 ILE 33 HG21 ILE 33 65.739 17.851 -1.756 188 HG22 ILE 33 HG22 ILE 33 66.883 17.720 -3.089 189 HG23 ILE 33 HG23 ILE 33 66.603 16.338 -2.032 190 HD11 ILE 33 HD11 ILE 33 67.646 19.581 -3.128 191 HD12 ILE 33 HD12 ILE 33 66.243 20.219 -2.270 192 HD13 ILE 33 HD13 ILE 33 67.759 21.121 -2.275 193 H THR 34 H THR 34 70.044 16.299 0.375 194 HA THR 34 HA THR 34 69.702 13.774 -0.829 195 HB THR 34 HB THR 34 71.871 15.261 0.244 196 HG1 THR 34 HG1 THR 34 72.589 14.373 -1.526 197 HG21 THR 34 HG21 THR 34 73.167 13.492 1.335 198 HG22 THR 34 HG22 THR 34 71.776 12.412 1.243 199 HG23 THR 34 HG23 THR 34 71.704 13.860 2.246 200 H ASP 35 H ASP 35 69.456 14.868 2.492 201 HA ASP 35 HA ASP 35 69.395 12.259 3.652 202 HB3 ASP 35 HB2 ASP 35 68.045 14.374 5.164 203 H LYS 36 H LYS 36 67.020 14.428 2.308 204 HA LYS 36 HA LYS 36 64.734 13.112 3.402 205 HB3 LYS 36 HB2 LYS 36 63.467 14.442 1.737 206 HG3 LYS 36 HG2 LYS 36 64.776 16.730 2.357 207 HD3 LYS 36 HD2 LYS 36 63.390 15.617 4.672 208 HE3 LYS 36 HE2 LYS 36 63.229 17.963 2.863 209 HZ1 LYS 36 HZ1 LYS 36 60.968 17.089 4.578 210 HZ2 LYS 36 HZ2 LYS 36 60.945 17.214 2.891 211 HZ3 LYS 36 HZ3 LYS 36 61.104 18.605 3.840 212 H ALA 37 H ALA 37 66.418 12.976 0.287 213 HA ALA 37 HA ALA 37 64.680 11.265 -1.059 214 HB1 ALA 37 HB1 ALA 37 66.345 12.310 -2.340 215 HB2 ALA 37 HB2 ALA 37 67.640 11.716 -1.297 216 HB3 ALA 37 HB3 ALA 37 66.773 10.598 -2.351 217 H ASP 38 H ASP 38 67.007 10.611 1.434 218 HA ASP 38 HA ASP 38 67.065 7.765 0.982 219 HB3 ASP 38 HB2 ASP 38 67.912 8.770 3.620 220 H LYS 39 H LYS 39 65.525 9.976 3.276 221 HA LYS 39 HA LYS 39 64.314 7.965 4.863 222 HB3 LYS 39 HB2 LYS 39 62.682 10.138 5.175 223 HG3 LYS 39 HG2 LYS 39 64.995 10.755 6.662 224 HD3 LYS 39 HD2 LYS 39 63.615 9.515 8.466 225 HE3 LYS 39 HE2 LYS 39 63.436 12.057 7.340 226 HZ1 LYS 39 HZ1 LYS 39 61.170 10.972 6.548 227 HZ2 LYS 39 HZ2 LYS 39 61.275 12.589 7.030 228 HZ3 LYS 39 HZ3 LYS 39 60.697 11.420 8.109 229 H VAL 40 H VAL 40 63.074 9.987 2.212 230 HA VAL 40 HA VAL 40 60.464 8.969 2.179 231 HB VAL 40 HB VAL 40 61.045 11.003 0.980 232 HG11 VAL 40 HG11 VAL 40 63.271 9.715 0.155 233 HG12 VAL 40 HG12 VAL 40 62.281 9.617 -1.303 234 HG13 VAL 40 HG13 VAL 40 62.649 11.187 -0.591 235 HG21 VAL 40 HG21 VAL 40 60.045 8.806 -0.829 236 HG22 VAL 40 HG22 VAL 40 59.072 9.819 0.237 237 HG23 VAL 40 HG23 VAL 40 59.890 10.532 -1.154 238 H ALA 41 H ALA 41 63.421 7.839 0.640 239 HA ALA 41 HA ALA 41 62.117 5.816 -0.918 240 HB1 ALA 41 HB1 ALA 41 64.603 4.983 -1.042 241 HB2 ALA 41 HB2 ALA 41 64.093 6.436 -1.903 242 HB3 ALA 41 HB3 ALA 41 64.944 6.576 -0.364 243 H GLY 42 H GLY 42 64.013 5.843 2.088 244 HA2 GLY 42 HA2 GLY 42 63.922 3.042 2.508 245 HA3 GLY 42 HA3 GLY 42 64.282 4.255 3.727 246 H LYS 43 H LYS 43 61.780 5.668 3.451 247 HA LYS 43 HA LYS 43 60.240 4.277 5.338 248 HB3 LYS 43 HB2 LYS 43 58.442 6.013 4.250 249 HG3 LYS 43 HG2 LYS 43 59.227 7.702 5.837 250 HD3 LYS 43 HD2 LYS 43 59.634 5.705 7.730 251 HE3 LYS 43 HE2 LYS 43 58.034 7.492 7.970 252 HZ1 LYS 43 HZ1 LYS 43 56.548 6.149 5.778 253 HZ2 LYS 43 HZ2 LYS 43 57.214 7.704 5.749 254 HZ3 LYS 43 HZ3 LYS 43 55.901 7.365 6.760 255 H VAL 44 H VAL 44 60.360 4.068 1.908 256 HA VAL 44 HA VAL 44 57.782 3.173 1.305 257 HB VAL 44 HB VAL 44 60.348 2.277 -0.012 258 HG11 VAL 44 HG11 VAL 44 59.030 1.048 -1.308 259 HG12 VAL 44 HG12 VAL 44 57.590 1.650 -0.482 260 HG13 VAL 44 HG13 VAL 44 58.250 2.530 -1.861 261 HG21 VAL 44 HG21 VAL 44 60.220 4.708 0.080 262 HG22 VAL 44 HG22 VAL 44 59.985 4.133 -1.571 263 HG23 VAL 44 HG23 VAL 44 58.599 4.660 -0.615 264 H GLN 45 H GLN 45 56.714 1.345 1.702 265 HA GLN 45 HA GLN 45 58.231 -0.932 2.794 266 HB3 GLN 45 HB2 GLN 45 55.694 -1.434 3.592 267 HG3 GLN 45 HG2 GLN 45 57.904 -1.092 4.936 268 HE21 GLN 45 HE21 GLN 45 55.466 1.479 5.127 269 HE22 GLN 45 HE22 GLN 45 56.545 2.694 5.711 270 HA PRO 46 HA PRO 46 56.415 -2.289 -1.258 271 HB3 PRO 46 HB2 PRO 46 58.376 -1.848 -2.369 272 HG3 PRO 46 HG2 PRO 46 60.404 -1.757 -1.234 273 HD3 PRO 46 HD2 PRO 46 59.140 -0.367 0.100 274 H GLU 47 H GLU 47 57.135 -4.740 -2.183 275 HA GLU 47 HA GLU 47 55.741 -6.508 -0.532 276 HB3 GLU 47 HB2 GLU 47 57.772 -7.501 -2.499 277 HG3 GLU 47 HG2 GLU 47 54.941 -8.331 -2.561 278 H ASP 48 H ASP 48 59.043 -5.539 -0.495 279 HA ASP 48 HA ASP 48 59.673 -7.681 1.430 280 HB3 ASP 48 HB2 ASP 48 62.109 -6.727 0.815 281 H ASN 49 H ASN 49 60.262 -7.153 3.456 282 HA ASN 49 HA ASN 49 60.651 -5.916 5.324 283 HB3 ASN 49 HB2 ASN 49 61.601 -3.443 4.299 284 HD21 ASN 49 HD21 ASN 49 63.942 -5.833 3.952 285 HD22 ASN 49 HD22 ASN 49 64.609 -5.765 5.544 286 H LYS 50 H LYS 50 58.745 -5.413 6.216 287 HA LYS 50 HA LYS 50 57.106 -3.298 5.039 288 HB3 LYS 50 HB2 LYS 50 55.454 -4.052 6.828 289 HG3 LYS 50 HG2 LYS 50 56.157 -6.430 5.185 290 HD3 LYS 50 HD2 LYS 50 53.631 -4.937 5.875 291 HE3 LYS 50 HE2 LYS 50 54.151 -6.453 3.548 292 HZ1 LYS 50 HZ1 LYS 50 52.720 -7.939 5.632 293 HZ2 LYS 50 HZ2 LYS 50 53.745 -8.511 4.415 294 HZ3 LYS 50 HZ3 LYS 50 52.163 -8.049 4.038 295 H GLY 51 H GLY 51 59.649 -2.805 6.509 296 HA2 GLY 51 HA2 GLY 51 60.442 -1.177 7.923 297 HA3 GLY 51 HA3 GLY 51 58.809 -0.533 7.971 298 H VAL 52 H VAL 52 58.954 -3.792 8.866 299 HA VAL 52 HA VAL 52 58.040 -3.310 11.482 300 HB VAL 52 HB VAL 52 59.293 -5.846 10.424 301 HG11 VAL 52 HG11 VAL 52 57.970 -6.956 12.152 302 HG12 VAL 52 HG12 VAL 52 59.091 -5.790 12.858 303 HG13 VAL 52 HG13 VAL 52 57.380 -5.391 12.711 304 HG21 VAL 52 HG21 VAL 52 56.377 -5.086 10.463 305 HG22 VAL 52 HG22 VAL 52 57.411 -4.970 9.040 306 HG23 VAL 52 HG23 VAL 52 57.095 -6.542 9.773 307 H PHE 53 H PHE 53 61.221 -3.559 10.152 308 HA PHE 53 HA PHE 53 62.449 -3.908 12.775 309 HB3 PHE 53 HB2 PHE 53 64.537 -3.547 11.062 310 HD1 PHE 53 HD2 PHE 53 62.162 -6.380 10.695 311 HD2 PHE 53 HD1 PHE 53 65.795 -4.961 12.400 312 HE1 PHE 53 HE2 PHE 53 62.671 -8.651 11.495 313 HE2 PHE 53 HE1 PHE 53 66.309 -7.230 13.202 314 HZ PHE 53 HZ PHE 53 64.745 -9.078 12.751 315 H GLN 54 H GLN 54 62.604 -1.595 10.069 316 HA GLN 54 HA GLN 54 64.197 0.318 11.326 317 HB3 GLN 54 HB2 GLN 54 62.486 1.768 9.679 318 HG3 GLN 54 HG2 GLN 54 64.433 0.729 7.980 319 HE21 GLN 54 HE21 GLN 54 63.633 2.680 7.089 320 HE22 GLN 54 HE22 GLN 54 64.248 4.209 7.607 321 H GLY 55 H GLY 55 60.815 -0.401 11.670 322 HA2 GLY 55 HA2 GLY 55 59.813 1.984 12.672 323 HA3 GLY 55 HA3 GLY 55 59.239 0.390 13.140 324 H VAL 56 H VAL 56 61.982 -0.273 14.172 325 HA VAL 56 HA VAL 56 61.562 0.286 16.867 326 HB VAL 56 HB VAL 56 63.054 -1.509 15.988 327 HG11 VAL 56 HG11 VAL 56 65.417 0.197 15.896 328 HG12 VAL 56 HG12 VAL 56 64.913 -1.103 14.813 329 HG13 VAL 56 HG13 VAL 56 64.267 0.525 14.599 330 HG21 VAL 56 HG21 VAL 56 63.071 -0.545 18.368 331 HG22 VAL 56 HG22 VAL 56 64.439 -1.540 17.869 332 HG23 VAL 56 HG23 VAL 56 64.592 0.217 17.900 333 H HIS 57 H HIS 57 63.001 2.213 14.388 334 HA HIS 57 HA HIS 57 64.254 4.025 16.294 335 HB3 HIS 57 HB2 HIS 57 64.119 4.156 13.274 336 HD1 HIS 57 HD1 HIS 57 66.546 5.337 15.962 337 HD2 HIS 57 HD2 HIS 57 64.546 6.736 12.600 338 HE1 HIS 57 HE1 HIS 57 67.352 7.696 15.632 339 H ASP 58 H ASP 58 61.674 4.055 13.862 340 HA ASP 58 HA ASP 58 60.894 6.715 14.110 341 HB3 ASP 58 HB2 ASP 58 58.923 4.484 13.665 342 H SER 59 H SER 59 60.410 4.037 16.241 343 HA SER 59 HA SER 59 58.199 5.101 17.685 344 HB3 SER 59 HB2 SER 59 60.127 3.237 18.999 345 HG SER 59 HG SER 59 58.244 2.358 19.754 346 H ALA 60 H ALA 60 61.695 4.999 18.324 347 HA ALA 60 HA ALA 60 61.655 6.358 20.771 348 HB1 ALA 60 HB1 ALA 60 63.821 6.245 18.676 349 HB2 ALA 60 HB2 ALA 60 64.038 6.833 20.326 350 HB3 ALA 60 HB3 ALA 60 63.610 5.146 20.041 351 H GLU 61 H GLU 61 61.335 7.509 17.522 352 HA GLU 61 HA GLU 61 62.174 10.134 17.713 353 HB3 GLU 61 HB2 GLU 61 59.639 9.444 16.262 354 HG3 GLU 61 HG2 GLU 61 62.027 10.955 15.254 355 H LYS 62 H LYS 62 58.763 9.132 18.009 356 HA LYS 62 HA LYS 62 58.223 11.533 19.574 357 HB3 LYS 62 HB2 LYS 62 56.095 9.546 18.936 358 HG3 LYS 62 HG2 LYS 62 56.300 12.478 19.282 359 HD3 LYS 62 HD2 LYS 62 55.386 11.887 16.913 360 HE3 LYS 62 HE2 LYS 62 52.895 11.565 17.026 361 HZ1 LYS 62 HZ1 LYS 62 54.817 9.712 16.864 362 HZ2 LYS 62 HZ2 LYS 62 53.167 9.379 16.700 363 HZ3 LYS 62 HZ3 LYS 62 53.935 9.128 18.185 364 H GLY 63 H GLY 63 57.185 11.477 21.617 365 HA2 GLY 63 HA2 GLY 63 57.674 8.962 23.085 366 HA3 GLY 63 HA3 GLY 63 57.796 10.565 23.797 367 H LYS 64 H LYS 64 55.427 11.671 22.735 368 HA LYS 64 HA LYS 64 53.208 11.872 23.194 369 HB3 LYS 64 HB2 LYS 64 52.235 9.334 23.714 370 HG3 LYS 64 HG2 LYS 64 52.251 9.467 20.950 371 HD3 LYS 64 HD2 LYS 64 50.202 11.036 22.403 372 HE3 LYS 64 HE2 LYS 64 49.172 8.744 21.131 373 HZ1 LYS 64 HZ1 LYS 64 48.088 10.874 21.153 374 HZ2 LYS 64 HZ2 LYS 64 48.313 10.389 19.548 375 HZ3 LYS 64 HZ3 LYS 64 49.321 11.568 20.225 376 H ASP 65 H ASP 65 51.521 11.422 24.915 377 HA ASP 65 HA ASP 65 52.751 10.743 27.495 378 HB3 ASP 65 HB2 ASP 65 50.845 13.051 27.298 379 H ASN 66 H ASN 66 50.963 10.651 29.244 380 HA ASN 66 HA ASN 66 49.037 8.730 28.357 381 HB3 ASN 66 HB2 ASN 66 49.402 10.050 31.056 382 HD21 ASN 66 HD21 ASN 66 47.773 9.785 32.381 383 HD22 ASN 66 HD22 ASN 66 46.594 8.524 32.316 384 H ALA 67 H ALA 67 47.483 9.576 27.061 385 HA ALA 67 HA ALA 67 46.168 12.065 27.706 386 HB1 ALA 67 HB1 ALA 67 45.182 11.947 25.630 387 HB2 ALA 67 HB2 ALA 67 46.672 11.040 25.360 388 HB3 ALA 67 HB3 ALA 67 45.153 10.184 25.624 389 H GLU 68 H GLU 68 44.040 12.336 28.354 390 HA GLU 68 HA GLU 68 42.501 9.949 29.054 391 HB3 GLU 68 HB2 GLU 68 41.960 11.027 31.283 392 HG3 GLU 68 HG2 GLU 68 44.407 10.590 32.190 393 H GLY 69 H GLY 69 40.881 10.343 27.622 394 HA2 GLY 69 HA2 GLY 69 39.119 12.574 28.249 395 HA3 GLY 69 HA3 GLY 69 39.788 12.565 26.624 396 H GLN 70 H GLN 70 37.363 12.510 26.235 397 HA GLN 70 HA GLN 70 35.512 11.405 25.507 398 HB3 GLN 70 HB2 GLN 70 36.855 8.801 25.215 399 HG3 GLN 70 HG2 GLN 70 34.854 10.244 23.884 400 HE21 GLN 70 HE21 GLN 70 36.306 12.074 23.085 401 HE22 GLN 70 HE22 GLN 70 36.897 11.918 21.469 402 H GLY 71 H GLY 71 34.475 8.936 25.760 403 HA2 GLY 71 HA2 GLY 71 34.807 7.634 28.220 404 HA3 GLY 71 HA3 GLY 71 33.582 8.876 28.430 405 H GLU 72 H GLU 72 32.106 8.839 26.224 406 HA GLU 72 HA GLU 72 31.475 6.210 25.298 407 HB3 GLU 72 HB2 GLU 72 29.613 7.512 27.291 408 HG3 GLU 72 HG2 GLU 72 28.899 5.887 25.135 409 H SER 73 H SER 73 30.883 6.550 23.270 410 HA SER 73 HA SER 73 30.203 9.049 22.207 411 HB3 SER 73 HB2 SER 73 30.753 7.866 20.382 412 HG SER 73 HG SER 73 29.988 5.341 21.125 413 H LEU 74 H LEU 74 28.484 10.077 23.100 414 HA LEU 74 HA LEU 74 26.096 8.968 23.964 415 HB3 LEU 74 HB2 LEU 74 26.636 11.702 22.815 416 HG LEU 74 HG LEU 74 24.203 11.335 22.862 417 HD11 LEU 74 HD11 LEU 74 23.187 11.173 25.198 418 HD12 LEU 74 HD12 LEU 74 24.771 10.595 25.714 419 HD13 LEU 74 HD13 LEU 74 23.859 9.700 24.499 420 HD21 LEU 74 HD21 LEU 74 25.537 13.272 24.693 421 HD22 LEU 74 HD22 LEU 74 23.774 13.192 24.662 422 HD23 LEU 74 HD23 LEU 74 24.667 13.560 23.185 423 H ALA 75 H ALA 75 27.167 9.696 20.744 424 HA ALA 75 HA ALA 75 24.801 9.909 19.340 425 HB1 ALA 75 HB1 ALA 75 27.551 9.225 18.725 426 HB2 ALA 75 HB2 ALA 75 26.404 8.390 17.678 427 HB3 ALA 75 HB3 ALA 75 26.379 10.150 17.786 428 H ASP 76 H ASP 76 26.265 7.084 20.771 429 HA ASP 76 HA ASP 76 24.615 5.189 19.387 430 HB3 ASP 76 HB2 ASP 76 25.688 4.225 21.905 431 H GLN 77 H GLN 77 24.491 6.887 22.458 432 HA GLN 77 HA GLN 77 22.278 5.384 23.483 433 HB3 GLN 77 HB2 GLN 77 22.275 7.738 24.893 434 HG3 GLN 77 HG2 GLN 77 24.319 6.278 26.083 435 HE21 GLN 77 HE21 GLN 77 23.468 7.518 27.746 436 HE22 GLN 77 HE22 GLN 77 21.996 7.100 28.547 437 H ALA 78 H ALA 78 22.667 8.207 21.500 438 HA ALA 78 HA ALA 78 20.035 9.248 21.859 439 HB1 ALA 78 HB1 ALA 78 21.010 10.975 20.866 440 HB2 ALA 78 HB2 ALA 78 22.404 9.984 20.434 441 HB3 ALA 78 HB3 ALA 78 21.013 10.071 19.350 442 H ARG 79 H ARG 79 21.572 7.318 19.292 443 HA ARG 79 HA ARG 79 19.377 7.087 17.601 444 HB3 ARG 79 HB2 ARG 79 20.593 4.710 17.200 445 HG3 ARG 79 HG2 ARG 79 22.374 6.080 15.877 446 HD3 ARG 79 HD2 ARG 79 19.449 5.819 15.440 447 HE ARG 79 HE ARG 79 20.575 8.005 14.328 448 HH11 ARG 79 HH11 ARG 79 19.517 4.955 13.026 449 HH12 ARG 79 HH12 ARG 79 19.108 5.610 11.475 450 HH21 ARG 79 HH21 ARG 79 20.042 8.880 12.291 451 HH22 ARG 79 HH22 ARG 79 19.410 7.843 11.057 452 H ASP 80 H ASP 80 20.060 5.517 20.615 453 HA ASP 80 HA ASP 80 18.182 3.377 20.281 454 HB3 ASP 80 HB2 ASP 80 18.696 3.957 23.046 455 H TYR 81 H TYR 81 18.164 6.500 21.953 456 HA TYR 81 HA TYR 81 15.537 6.193 23.010 457 HB3 TYR 81 HB2 TYR 81 17.153 8.715 22.575 458 HD1 TYR 81 HD1 TYR 81 14.325 7.127 24.404 459 HD2 TYR 81 HD2 TYR 81 16.289 10.747 23.334 460 HE1 TYR 81 HE1 TYR 81 12.467 8.414 25.373 461 HE2 TYR 81 HE2 TYR 81 14.436 12.044 24.301 462 HH TYR 81 HH TYR 81 12.039 10.637 26.273 463 H MET 82 H MET 82 16.881 7.807 20.163 464 HA MET 82 HA MET 82 14.511 9.039 19.289 465 HB3 MET 82 HB2 MET 82 15.799 8.653 16.961 466 HG3 MET 82 HG2 MET 82 17.341 10.594 17.657 467 HE1 MET 82 HE1 MET 82 16.467 13.126 18.034 468 HE2 MET 82 HE2 MET 82 16.620 12.823 16.303 469 HE3 MET 82 HE3 MET 82 15.197 13.656 16.931 470 H GLY 83 H GLY 83 16.026 6.000 18.180 471 HA2 GLY 83 HA2 GLY 83 13.945 5.232 16.459 472 HA3 GLY 83 HA3 GLY 83 15.124 4.143 17.176 473 H ALA 84 H ALA 84 14.394 4.709 19.910 474 HA ALA 84 HA ALA 84 12.350 2.786 20.238 475 HB1 ALA 84 HB1 ALA 84 12.480 3.353 22.628 476 HB2 ALA 84 HB2 ALA 84 14.075 3.098 21.914 477 HB3 ALA 84 HB3 ALA 84 13.501 4.736 22.230 478 H ALA 85 H ALA 85 12.362 6.293 20.892 479 HA ALA 85 HA ALA 85 9.707 6.562 21.651 480 HB1 ALA 85 HB1 ALA 85 11.537 8.501 20.253 481 HB2 ALA 85 HB2 ALA 85 9.944 8.937 20.874 482 HB3 ALA 85 HB3 ALA 85 11.202 8.381 21.980 483 H LYS 86 H LYS 86 11.111 6.279 18.460 484 HA LYS 86 HA LYS 86 8.902 7.168 16.954 485 HB3 LYS 86 HB2 LYS 86 9.969 5.632 15.161 486 HG3 LYS 86 HG2 LYS 86 11.878 7.112 14.805 487 HD3 LYS 86 HD2 LYS 86 9.841 9.009 15.807 488 HE3 LYS 86 HE2 LYS 86 9.996 9.301 13.120 489 HZ1 LYS 86 HZ1 LYS 86 10.983 10.623 15.355 490 HZ2 LYS 86 HZ2 LYS 86 10.758 11.248 13.800 491 HZ3 LYS 86 HZ3 LYS 86 12.248 10.573 14.232 492 H SER 87 H SER 87 9.949 3.847 17.727 493 HA SER 87 HA SER 87 7.732 2.552 16.611 494 HB3 SER 87 HB2 SER 87 9.111 1.424 19.022 495 HG SER 87 HG SER 87 8.631 -0.420 18.066 496 H LYS 88 H LYS 88 8.334 3.650 19.929 497 HA LYS 88 HA LYS 88 5.945 2.671 21.049 498 HB3 LYS 88 HB2 LYS 88 6.379 4.515 22.780 499 HG3 LYS 88 HG2 LYS 88 8.444 3.476 23.655 500 HD3 LYS 88 HD2 LYS 88 7.349 0.990 23.175 501 HE3 LYS 88 HE2 LYS 88 5.972 1.511 25.243 502 HZ1 LYS 88 HZ1 LYS 88 8.688 2.415 25.799 503 HZ2 LYS 88 HZ2 LYS 88 8.527 0.903 25.057 504 HZ3 LYS 88 HZ3 LYS 88 7.778 1.199 26.544 505 H LEU 89 H LEU 89 6.769 5.926 19.861 506 HA LEU 89 HA LEU 89 4.364 7.191 20.337 507 HB3 LEU 89 HB2 LEU 89 6.214 7.561 17.986 508 HG LEU 89 HG LEU 89 4.290 8.846 17.449 509 HD11 LEU 89 HD11 LEU 89 2.855 9.200 19.124 510 HD12 LEU 89 HD12 LEU 89 3.804 10.652 19.444 511 HD13 LEU 89 HD13 LEU 89 4.125 9.171 20.346 512 HD21 LEU 89 HD21 LEU 89 5.544 10.600 16.928 513 HD22 LEU 89 HD22 LEU 89 6.775 10.013 18.047 514 HD23 LEU 89 HD23 LEU 89 5.546 11.147 18.605 515 H ASN 90 H ASN 90 5.343 5.545 17.328 516 HA ASN 90 HA ASN 90 2.926 5.845 15.966 517 HB3 ASN 90 HB2 ASN 90 4.245 3.314 15.381 518 HD21 ASN 90 HD21 ASN 90 3.233 2.986 13.538 519 HD22 ASN 90 HD22 ASN 90 3.063 4.132 12.256 520 H ASP 91 H ASP 91 3.861 3.636 18.475 521 HA ASP 91 HA ASP 91 1.792 1.722 18.055 522 HB3 ASP 91 HB2 ASP 91 2.604 1.812 20.804 523 H ALA 92 H ALA 92 2.080 4.670 19.944 524 HA ALA 92 HA ALA 92 -0.449 4.289 21.277 525 HB1 ALA 92 HB1 ALA 92 0.436 6.995 21.422 526 HB2 ALA 92 HB2 ALA 92 0.397 5.773 22.691 527 HB3 ALA 92 HB3 ALA 92 1.817 5.925 21.657 528 H VAL 93 H VAL 93 0.809 6.402 18.714 529 HA VAL 93 HA VAL 93 -1.440 7.938 18.230 530 HB VAL 93 HB VAL 93 0.406 6.894 16.082 531 HG11 VAL 93 HG11 VAL 93 -1.654 8.090 15.356 532 HG12 VAL 93 HG12 VAL 93 -1.094 9.504 16.253 533 HG13 VAL 93 HG13 VAL 93 -0.157 8.896 14.888 534 HG21 VAL 93 HG21 VAL 93 1.007 8.501 18.371 535 HG22 VAL 93 HG22 VAL 93 2.081 7.954 17.084 536 HG23 VAL 93 HG23 VAL 93 1.193 9.467 16.908 537 H GLU 94 H GLU 94 -0.537 4.908 16.574 538 HA GLU 94 HA GLU 94 -2.734 4.615 14.948 539 HB3 GLU 94 HB2 GLU 94 -2.083 2.042 16.015 540 HG3 GLU 94 HG2 GLU 94 -0.576 2.503 13.688 541 H TYR 95 H TYR 95 -2.440 3.888 18.375 542 HA TYR 95 HA TYR 95 -5.004 2.619 18.568 543 HB3 TYR 95 HB2 TYR 95 -3.298 3.767 20.785 544 HD1 TYR 95 HD2 TYR 95 -5.476 4.364 21.925 545 HD2 TYR 95 HD1 TYR 95 -4.453 0.367 20.883 546 HE1 TYR 95 HE2 TYR 95 -7.154 3.524 23.515 547 HE2 TYR 95 HE1 TYR 95 -6.128 -0.482 22.470 548 HH TYR 95 HH TYR 95 -7.504 1.357 24.851 549 H VAL 96 H VAL 96 -3.720 5.839 19.245 550 HA VAL 96 HA VAL 96 -6.049 6.903 20.432 551 HB VAL 96 HB VAL 96 -3.940 8.413 18.881 552 HG11 VAL 96 HG11 VAL 96 -4.635 10.341 20.070 553 HG12 VAL 96 HG12 VAL 96 -6.103 9.587 19.444 554 HG13 VAL 96 HG13 VAL 96 -5.666 9.395 21.142 555 HG21 VAL 96 HG21 VAL 96 -3.501 8.682 21.633 556 HG22 VAL 96 HG22 VAL 96 -3.768 6.960 21.360 557 HG23 VAL 96 HG23 VAL 96 -2.504 7.809 20.469 558 H SER 97 H SER 97 -4.812 7.139 17.099 559 HA SER 97 HA SER 97 -6.935 8.630 16.053 560 HB3 SER 97 HB2 SER 97 -5.895 6.788 14.086 561 HG SER 97 HG SER 97 -6.577 8.978 13.740 562 H GLY 98 H GLY 98 -6.608 5.213 16.693 563 HA2 GLY 98 HA2 GLY 98 -8.927 4.461 15.154 564 HA3 GLY 98 HA3 GLY 98 -8.013 3.426 16.243 565 H ARG 99 H ARG 99 -8.341 5.582 18.366 566 HA ARG 99 HA ARG 99 -10.874 4.567 19.369 567 HB3 ARG 99 HB2 ARG 99 -9.923 6.259 21.304 568 HG3 ARG 99 HG2 ARG 99 -8.541 3.753 21.537 569 HD3 ARG 99 HD2 ARG 99 -11.066 4.709 22.874 570 HE ARG 99 HE ARG 99 -9.539 2.410 23.320 571 HH11 ARG 99 HH11 ARG 99 -10.884 5.084 25.098 572 HH12 ARG 99 HH12 ARG 99 -11.050 4.190 26.572 573 HH21 ARG 99 HH21 ARG 99 -9.753 1.221 25.256 574 HH22 ARG 99 HH22 ARG 99 -10.406 1.994 26.660 575 H VAL 100 H VAL 100 -9.343 7.707 18.722 576 HA VAL 100 HA VAL 100 -11.367 9.405 19.513 577 HB VAL 100 HB VAL 100 -9.542 9.726 17.127 578 HG11 VAL 100 HG11 VAL 100 -10.216 12.213 18.272 579 HG12 VAL 100 HG12 VAL 100 -10.638 11.602 16.671 580 HG13 VAL 100 HG13 VAL 100 -11.724 11.331 18.034 581 HG21 VAL 100 HG21 VAL 100 -7.919 10.442 18.519 582 HG22 VAL 100 HG22 VAL 100 -9.057 11.212 19.625 583 HG23 VAL 100 HG23 VAL 100 -8.788 9.471 19.707 584 H HIS 101 H HIS 101 -10.986 7.756 16.398 585 HA HIS 101 HA HIS 101 -13.458 8.857 15.377 586 HB3 HIS 101 HB2 HIS 101 -11.833 6.626 14.156 587 HD1 HIS 101 HD1 HIS 101 -11.776 7.981 11.384 588 HD2 HIS 101 HD2 HIS 101 -15.178 7.587 13.734 589 HE1 HIS 101 HE1 HIS 101 -13.714 8.110 9.787 590 H GLY 102 H GLY 102 -12.299 5.513 15.875 591 HA2 GLY 102 HA2 GLY 102 -13.946 4.284 17.449 592 HA3 GLY 102 HA3 GLY 102 -15.103 4.683 16.189 593 H GLU 103 H GLU 103 -12.539 2.597 17.161 594 HA GLU 103 HA GLU 103 -13.203 0.760 15.025 595 HB3 GLU 103 HB2 GLU 103 -10.573 0.523 14.700 596 HG3 GLU 103 HG2 GLU 103 -11.363 2.845 13.171 597 H GLU 104 H GLU 104 -13.960 -0.413 16.875 598 HA GLU 104 HA GLU 104 -12.023 -2.245 17.885 599 HB3 GLU 104 HB2 GLU 104 -13.373 -0.940 20.162 600 HG3 GLU 104 HG2 GLU 104 -11.234 -2.677 19.826 601 H ASP 105 H ASP 105 -13.262 -3.444 19.914 602 HA ASP 105 HA ASP 105 -15.363 -4.851 18.706 603 HB3 ASP 105 HB2 ASP 105 -15.748 -5.429 21.318 604 HA PRO 106 HA PRO 106 -19.022 -2.580 19.535 605 HB3 PRO 106 HB2 PRO 106 -20.196 -4.292 18.552 606 HG3 PRO 106 HG2 PRO 106 -19.587 -6.511 18.887 607 HD3 PRO 106 HD2 PRO 106 -17.542 -5.621 18.299 608 H THR 107 H THR 107 -18.989 -1.275 21.275 609 HA THR 107 HA THR 107 -19.645 -2.469 23.883 610 HB THR 107 HB THR 107 -17.788 -0.110 23.640 611 HG1 THR 107 HG1 THR 107 -16.221 -1.951 24.241 612 HG21 THR 107 HG21 THR 107 -17.665 -0.193 25.881 613 HG22 THR 107 HG22 THR 107 -17.551 -1.953 25.899 614 HG23 THR 107 HG23 THR 107 -19.129 -1.172 25.788 615 H LYS 108 H LYS 108 -19.276 0.710 22.299 616 HA LYS 108 HA LYS 108 -21.128 2.066 23.898 617 HB3 LYS 108 HB2 LYS 108 -20.941 2.958 21.094 618 HG3 LYS 108 HG2 LYS 108 -21.508 4.219 23.401 619 HD3 LYS 108 HD2 LYS 108 -18.555 4.471 22.934 620 HE3 LYS 108 HE2 LYS 108 -20.120 6.691 23.072 621 HZ1 LYS 108 HZ1 LYS 108 -20.852 6.167 25.315 622 HZ2 LYS 108 HZ2 LYS 108 -19.895 7.562 25.308 623 HZ3 LYS 108 HZ3 LYS 108 -19.248 6.095 25.848 624 H LYS 109 H LYS 109 -23.263 1.943 24.029 625 HA LYS 109 HA LYS 109 -25.419 1.332 23.610 626 HB3 LYS 109 HB2 LYS 109 -26.184 1.812 21.229 627 HG3 LYS 109 HG2 LYS 109 -24.611 4.098 22.370 628 HD3 LYS 109 HD2 LYS 109 -27.395 4.362 21.421 629 HE3 LYS 109 HE2 LYS 109 -25.105 6.001 21.884 630 HZ1 LYS 109 HZ1 LYS 109 -25.103 5.518 19.289 631 HZ2 LYS 109 HZ2 LYS 109 -24.693 7.027 19.933 632 HZ3 LYS 109 HZ3 LYS 109 -26.246 6.765 19.315 Start of MODEL 14 1 H1 MET 1 H MET 1 62.150 -8.955 52.451 2 HA MET 1 HA MET 1 63.452 -8.890 54.653 3 HB3 MET 1 HB2 MET 1 63.879 -6.213 54.024 4 HG3 MET 1 HG2 MET 1 65.691 -7.085 52.520 5 HE1 MET 1 HE1 MET 1 67.542 -8.798 53.136 6 HE2 MET 1 HE2 MET 1 68.493 -7.833 54.266 7 HE3 MET 1 HE3 MET 1 67.861 -9.404 54.761 8 H SER 2 H SER 2 63.969 -6.790 56.120 9 HA SER 2 HA SER 2 61.742 -5.287 57.024 10 HB3 SER 2 HB2 SER 2 62.473 -7.772 58.574 11 HG SER 2 HG SER 2 61.939 -6.786 60.340 12 H ASP 3 H ASP 3 62.838 -3.478 57.402 13 HA ASP 3 HA ASP 3 65.260 -3.642 59.076 14 HB3 ASP 3 HB2 ASP 3 65.574 -1.261 57.842 15 H ALA 4 H ALA 4 65.702 -1.246 59.949 16 HA ALA 4 HA ALA 4 63.582 -0.735 61.788 17 HB1 ALA 4 HB1 ALA 4 65.583 1.361 61.644 18 HB2 ALA 4 HB2 ALA 4 65.168 0.282 62.976 19 HB3 ALA 4 HB3 ALA 4 66.301 -0.248 61.733 20 H GLY 5 H GLY 5 63.454 1.962 62.111 21 HA2 GLY 5 HA2 GLY 5 62.065 2.793 59.647 22 HA3 GLY 5 HA3 GLY 5 61.661 3.341 61.267 23 H ARG 6 H ARG 6 61.862 5.297 59.547 24 HA ARG 6 HA ARG 6 62.916 7.244 59.019 25 HB3 ARG 6 HB2 ARG 6 64.994 7.261 61.002 26 HG3 ARG 6 HG2 ARG 6 62.442 8.647 61.531 27 HD3 ARG 6 HD2 ARG 6 65.177 9.830 61.218 28 HE ARG 6 HE ARG 6 63.958 11.590 61.991 29 HH11 ARG 6 HH11 ARG 6 62.823 8.694 63.552 30 HH12 ARG 6 HH12 ARG 6 61.715 9.530 64.589 31 HH21 ARG 6 HH21 ARG 6 62.504 12.703 63.352 32 HH22 ARG 6 HH22 ARG 6 61.534 11.810 64.473 33 H LYS 7 H LYS 7 65.363 8.209 58.911 34 HA LYS 7 HA LYS 7 67.340 8.155 57.788 35 HB3 LYS 7 HB2 LYS 7 68.194 5.532 57.702 36 HG3 LYS 7 HG2 LYS 7 69.380 7.557 58.638 37 HD3 LYS 7 HD2 LYS 7 67.556 8.049 60.317 38 HE3 LYS 7 HE2 LYS 7 68.717 5.556 61.494 39 HZ1 LYS 7 HZ1 LYS 7 67.753 7.919 62.951 40 HZ2 LYS 7 HZ2 LYS 7 69.018 6.866 63.337 41 HZ3 LYS 7 HZ3 LYS 7 67.414 6.378 63.561 42 H GLY 8 H GLY 8 68.385 7.376 55.784 43 HA2 GLY 8 HA2 GLY 8 68.350 6.550 53.624 44 HA3 GLY 8 HA3 GLY 8 66.904 5.641 54.035 45 H PHE 9 H PHE 9 64.978 7.280 54.540 46 HA PHE 9 HA PHE 9 64.610 8.732 52.057 47 HB3 PHE 9 HB2 PHE 9 62.401 8.979 53.899 48 HD1 PHE 9 HD1 PHE 9 63.442 6.556 51.255 49 HD2 PHE 9 HD2 PHE 9 60.751 9.628 52.456 50 HE1 PHE 9 HE1 PHE 9 62.219 6.308 49.135 51 HE2 PHE 9 HE2 PHE 9 59.524 9.384 50.337 52 HZ PHE 9 HZ PHE 9 60.256 7.722 48.673 53 H GLY 10 H GLY 10 65.281 9.394 55.381 54 HA2 GLY 10 HA2 GLY 10 64.292 11.985 55.658 55 HA3 GLY 10 HA3 GLY 10 65.701 11.356 56.497 56 H GLU 11 H GLU 11 67.601 11.045 54.710 57 HA GLU 11 HA GLU 11 68.590 13.579 54.211 58 HB3 GLU 11 HB2 GLU 11 69.661 11.809 52.247 59 HG3 GLU 11 HG2 GLU 11 71.139 11.875 54.733 60 H LYS 12 H LYS 12 67.078 11.348 51.882 61 HA LYS 12 HA LYS 12 67.188 13.047 49.660 62 HB3 LYS 12 HB2 LYS 12 65.585 11.585 48.637 63 HG3 LYS 12 HG2 LYS 12 66.654 9.496 50.372 64 HD3 LYS 12 HD2 LYS 12 67.539 9.958 47.575 65 HE3 LYS 12 HE2 LYS 12 66.667 7.611 49.239 66 HZ1 LYS 12 HZ1 LYS 12 66.175 7.790 46.578 67 HZ2 LYS 12 HZ2 LYS 12 66.361 6.350 47.445 68 HZ3 LYS 12 HZ3 LYS 12 67.678 7.016 46.619 69 H ALA 13 H ALA 13 64.649 12.603 52.098 70 HA ALA 13 HA ALA 13 62.676 14.220 51.036 71 HB1 ALA 13 HB1 ALA 13 61.823 13.261 52.877 72 HB2 ALA 13 HB2 ALA 13 63.376 13.246 53.713 73 HB3 ALA 13 HB3 ALA 13 62.401 14.716 53.690 74 H SER 14 H SER 14 65.271 15.187 53.282 75 HA SER 14 HA SER 14 64.620 17.919 53.341 76 HB3 SER 14 HB2 SER 14 67.355 17.842 53.762 77 HG SER 14 HG SER 14 65.338 17.194 55.651 78 H GLU 15 H GLU 15 66.379 16.000 51.042 79 HA GLU 15 HA GLU 15 67.629 18.229 49.726 80 HB3 GLU 15 HB2 GLU 15 68.045 16.442 47.922 81 HG3 GLU 15 HG2 GLU 15 69.252 15.141 50.160 82 H ALA 16 H ALA 16 64.704 16.338 49.324 83 HA ALA 16 HA ALA 16 64.006 17.230 46.741 84 HB1 ALA 16 HB1 ALA 16 63.002 15.265 47.840 85 HB2 ALA 16 HB2 ALA 16 62.156 16.344 48.951 86 HB3 ALA 16 HB3 ALA 16 61.792 16.393 47.226 87 H LEU 17 H LEU 17 62.826 18.307 49.932 88 HA LEU 17 HA LEU 17 61.241 20.412 49.031 89 HB3 LEU 17 HB2 LEU 17 61.172 19.526 51.310 90 HG LEU 17 HG LEU 17 63.817 19.638 51.545 91 HD11 LEU 17 HD11 LEU 17 64.704 21.546 52.330 92 HD12 LEU 17 HD12 LEU 17 63.269 21.952 53.271 93 HD13 LEU 17 HD13 LEU 17 63.316 22.296 51.543 94 HD21 LEU 17 HD21 LEU 17 63.513 19.462 53.965 95 HD22 LEU 17 HD22 LEU 17 62.287 18.540 53.092 96 HD23 LEU 17 HD23 LEU 17 61.875 20.100 53.808 97 H LYS 18 H LYS 18 64.676 20.329 49.847 98 HA LYS 18 HA LYS 18 65.097 23.127 49.529 99 HB3 LYS 18 HB2 LYS 18 67.544 21.878 49.065 100 HG3 LYS 18 HG2 LYS 18 66.944 22.126 51.896 101 HD3 LYS 18 HD2 LYS 18 68.861 23.252 49.902 102 HE3 LYS 18 HE2 LYS 18 69.030 24.170 52.723 103 HZ1 LYS 18 HZ1 LYS 18 70.732 25.188 51.753 104 HZ2 LYS 18 HZ2 LYS 18 69.612 26.192 50.981 105 HZ3 LYS 18 HZ3 LYS 18 70.192 24.812 50.194 106 HA PRO 19 HA PRO 19 65.555 23.600 45.191 107 HB3 PRO 19 HB2 PRO 19 66.067 25.806 45.580 108 HG3 PRO 19 HG2 PRO 19 67.369 26.433 47.402 109 HD3 PRO 19 HD2 PRO 19 65.826 25.086 48.460 110 H ASP 20 H ASP 20 67.572 23.866 43.513 111 HA ASP 20 HA ASP 20 69.896 22.372 43.921 112 HB3 ASP 20 HB2 ASP 20 68.370 20.628 42.163 113 H SER 21 H SER 21 70.435 21.290 41.500 114 HA SER 21 HA SER 21 69.808 23.379 39.531 115 HB3 SER 21 HB2 SER 21 71.956 24.036 40.316 116 HG SER 21 HG SER 21 73.609 22.124 39.973 117 H GLN 22 H GLN 22 68.329 21.454 39.056 118 HA GLN 22 HA GLN 22 69.226 20.192 36.703 119 HB3 GLN 22 HB2 GLN 22 70.461 18.793 38.337 120 HG3 GLN 22 HG2 GLN 22 67.749 17.846 39.230 121 HE21 GLN 22 HE21 GLN 22 67.773 16.167 40.683 122 HE22 GLN 22 HE22 GLN 22 69.166 15.185 40.962 123 H LYS 23 H LYS 23 67.581 18.070 36.438 124 HA LYS 23 HA LYS 23 65.105 19.172 35.893 125 HB3 LYS 23 HB2 LYS 23 65.752 17.122 34.840 126 HG3 LYS 23 HG2 LYS 23 65.318 15.150 36.810 127 HD3 LYS 23 HD2 LYS 23 67.939 15.981 35.576 128 HE3 LYS 23 HE2 LYS 23 66.909 13.219 36.174 129 HZ1 LYS 23 HZ1 LYS 23 69.735 13.988 36.123 130 HZ2 LYS 23 HZ2 LYS 23 68.926 13.834 34.645 131 HZ3 LYS 23 HZ3 LYS 23 69.009 12.517 35.703 132 H SER 24 H SER 24 63.673 20.011 37.250 133 HA SER 24 HA SER 24 63.592 19.242 40.025 134 HB3 SER 24 HB2 SER 24 61.445 20.865 39.754 135 HG SER 24 HG SER 24 63.247 22.593 39.869 136 H TYR 25 H TYR 25 62.349 17.885 37.302 137 HA TYR 25 HA TYR 25 59.693 17.311 37.822 138 HB3 TYR 25 HB2 TYR 25 60.866 14.958 36.749 139 HD1 TYR 25 HD2 TYR 25 58.244 15.156 36.682 140 HD2 TYR 25 HD1 TYR 25 60.884 17.377 34.191 141 HE1 TYR 25 HE2 TYR 25 56.417 15.515 35.075 142 HE2 TYR 25 HE1 TYR 25 59.062 17.744 32.578 143 HH TYR 25 HH TYR 25 55.767 16.834 33.291 144 H ALA 26 H ALA 26 62.561 16.056 39.325 145 HA ALA 26 HA ALA 26 61.703 13.672 40.410 146 HB1 ALA 26 HB1 ALA 26 63.818 15.545 40.908 147 HB2 ALA 26 HB2 ALA 26 63.196 14.912 42.432 148 HB3 ALA 26 HB3 ALA 26 63.777 13.804 41.187 149 H GLU 27 H GLU 27 61.273 16.943 41.737 150 HA GLU 27 HA GLU 27 59.758 15.997 43.987 151 HB3 GLU 27 HB2 GLU 27 59.469 18.829 43.288 152 HG3 GLU 27 HG2 GLU 27 60.768 18.902 45.582 153 H GLN 28 H GLN 28 59.037 17.441 40.856 154 HA GLN 28 HA GLN 28 56.347 18.019 41.187 155 HB3 GLN 28 HB2 GLN 28 56.152 17.838 38.762 156 HG3 GLN 28 HG2 GLN 28 58.933 18.832 39.266 157 HE21 GLN 28 HE21 GLN 28 55.927 20.271 38.113 158 HE22 GLN 28 HE22 GLN 28 56.499 20.633 36.524 159 H GLY 29 H GLY 29 57.801 14.990 39.992 160 HA2 GLY 29 HA2 GLY 29 55.400 13.574 39.676 161 HA3 GLY 29 HA3 GLY 29 56.982 12.848 39.916 162 H LYS 30 H LYS 30 57.695 13.488 42.402 163 HA LYS 30 HA LYS 30 56.372 11.706 44.029 164 HB3 LYS 30 HB2 LYS 30 57.491 12.821 45.926 165 HG3 LYS 30 HG2 LYS 30 59.070 12.406 43.419 166 HD3 LYS 30 HD2 LYS 30 59.955 14.137 45.328 167 HE3 LYS 30 HE2 LYS 30 61.843 12.592 46.338 168 HZ1 LYS 30 HZ1 LYS 30 60.846 12.950 48.299 169 HZ2 LYS 30 HZ2 LYS 30 59.384 12.244 47.825 170 HZ3 LYS 30 HZ3 LYS 30 59.732 13.842 47.390 171 H GLU 31 H GLU 31 56.022 15.255 44.083 172 HA GLU 31 HA GLU 31 53.969 15.343 45.984 173 HB3 GLU 31 HB2 GLU 31 53.486 17.604 45.046 174 HG3 GLU 31 HG2 GLU 31 55.618 18.635 45.484 175 H TYR 32 H TYR 32 53.918 14.676 42.572 176 HA TYR 32 HA TYR 32 51.210 15.178 42.033 177 HB3 TYR 32 HB2 TYR 32 52.943 13.051 40.760 178 HD1 TYR 32 HD2 TYR 32 50.807 11.757 40.401 179 HD2 TYR 32 HD1 TYR 32 51.407 15.658 38.813 180 HE1 TYR 32 HE2 TYR 32 48.976 11.381 38.801 181 HE2 TYR 32 HE1 TYR 32 49.578 15.293 37.210 182 HH TYR 32 HH TYR 32 48.448 13.309 36.126 183 H ILE 33 H ILE 33 52.828 12.109 42.853 184 HA ILE 33 HA ILE 33 50.568 10.494 42.935 185 HB ILE 33 HB ILE 33 52.945 10.190 44.765 186 HG13 ILE 33 HG12 ILE 33 52.813 10.144 41.878 187 HG21 ILE 33 HG21 ILE 33 52.418 7.752 44.402 188 HG22 ILE 33 HG22 ILE 33 51.234 8.659 45.342 189 HG23 ILE 33 HG23 ILE 33 50.912 8.275 43.652 190 HD11 ILE 33 HD11 ILE 33 55.116 10.260 41.952 191 HD12 ILE 33 HD12 ILE 33 54.641 11.037 43.463 192 HD13 ILE 33 HD13 ILE 33 55.215 9.368 43.470 193 H THR 34 H THR 34 52.181 12.117 45.671 194 HA THR 34 HA THR 34 50.493 11.395 47.708 195 HB THR 34 HB THR 34 51.095 13.532 48.823 196 HG1 THR 34 HG1 THR 34 51.953 14.132 46.210 197 HG21 THR 34 HG21 THR 34 52.627 11.575 48.830 198 HG22 THR 34 HG22 THR 34 53.474 13.118 48.945 199 HG23 THR 34 HG23 THR 34 53.436 12.244 47.414 200 H ASP 35 H ASP 35 50.131 14.198 45.547 201 HA ASP 35 HA ASP 35 47.801 15.251 46.640 202 HB3 ASP 35 HB2 ASP 35 47.984 15.367 43.697 203 H LYS 36 H LYS 36 48.251 12.598 44.384 204 HA LYS 36 HA LYS 36 45.493 12.309 43.721 205 HB3 LYS 36 HB2 LYS 36 46.205 10.091 42.824 206 HG3 LYS 36 HG2 LYS 36 48.230 11.141 41.423 207 HD3 LYS 36 HD2 LYS 36 46.268 12.393 40.150 208 HE3 LYS 36 HE2 LYS 36 46.650 9.429 40.478 209 HZ1 LYS 36 HZ1 LYS 36 45.283 10.441 38.118 210 HZ2 LYS 36 HZ2 LYS 36 44.364 10.371 39.535 211 HZ3 LYS 36 HZ3 LYS 36 45.095 8.970 38.932 212 H ALA 37 H ALA 37 47.652 10.731 46.043 213 HA ALA 37 HA ALA 37 45.765 8.847 46.990 214 HB1 ALA 37 HB1 ALA 37 48.322 8.878 47.280 215 HB2 ALA 37 HB2 ALA 37 48.004 9.917 48.671 216 HB3 ALA 37 HB3 ALA 37 47.333 8.287 48.616 217 H ASP 38 H ASP 38 46.289 12.202 47.654 218 HA ASP 38 HA ASP 38 44.840 12.210 50.145 219 HB3 ASP 38 HB2 ASP 38 45.126 14.783 48.767 220 H LYS 39 H LYS 39 44.210 13.219 46.805 221 HA LYS 39 HA LYS 39 41.628 14.249 47.245 222 HB3 LYS 39 HB2 LYS 39 41.557 13.340 44.654 223 HG3 LYS 39 HG2 LYS 39 43.101 15.694 44.573 224 HD3 LYS 39 HD2 LYS 39 40.561 16.578 44.407 225 HE3 LYS 39 HE2 LYS 39 42.160 16.679 42.596 226 HZ1 LYS 39 HZ1 LYS 39 42.133 14.547 41.123 227 HZ2 LYS 39 HZ2 LYS 39 41.823 13.764 42.589 228 HZ3 LYS 39 HZ3 LYS 39 43.231 14.684 42.403 229 H VAL 40 H VAL 40 42.751 11.023 46.305 230 HA VAL 40 HA VAL 40 40.162 9.902 45.992 231 HB VAL 40 HB VAL 40 42.086 8.847 44.956 232 HG11 VAL 40 HG11 VAL 40 43.152 7.652 47.411 233 HG12 VAL 40 HG12 VAL 40 43.995 8.306 46.005 234 HG13 VAL 40 HG13 VAL 40 43.414 9.390 47.270 235 HG21 VAL 40 HG21 VAL 40 40.184 7.429 45.472 236 HG22 VAL 40 HG22 VAL 40 41.685 6.520 45.648 237 HG23 VAL 40 HG23 VAL 40 40.836 7.104 47.079 238 H ALA 41 H ALA 41 42.380 10.187 48.706 239 HA ALA 41 HA ALA 41 40.877 8.474 50.442 240 HB1 ALA 41 HB1 ALA 41 42.941 10.538 51.196 241 HB2 ALA 41 HB2 ALA 41 42.397 9.168 52.167 242 HB3 ALA 41 HB3 ALA 41 43.313 8.890 50.687 243 H GLY 42 H GLY 42 40.895 11.889 49.694 244 HA2 GLY 42 HA2 GLY 42 39.171 12.540 51.945 245 HA3 GLY 42 HA3 GLY 42 39.789 13.664 50.744 246 H LYS 43 H LYS 43 38.892 11.945 48.515 247 HA LYS 43 HA LYS 43 36.252 13.029 48.272 248 HB3 LYS 43 HB2 LYS 43 36.350 11.580 46.093 249 HG3 LYS 43 HG2 LYS 43 37.772 13.214 44.949 250 HD3 LYS 43 HD2 LYS 43 36.529 15.212 46.496 251 HE3 LYS 43 HE2 LYS 43 36.532 15.164 44.081 252 HZ1 LYS 43 HZ1 LYS 43 34.563 13.465 43.328 253 HZ2 LYS 43 HZ2 LYS 43 35.410 12.548 44.468 254 HZ3 LYS 43 HZ3 LYS 43 36.220 13.188 43.128 255 H VAL 44 H VAL 44 37.625 9.918 49.047 256 HA VAL 44 HA VAL 44 35.284 8.366 48.631 257 HB VAL 44 HB VAL 44 37.456 7.293 48.738 258 HG11 VAL 44 HG11 VAL 44 38.980 7.893 50.234 259 HG12 VAL 44 HG12 VAL 44 37.797 8.930 51.033 260 HG13 VAL 44 HG13 VAL 44 37.974 7.245 51.528 261 HG21 VAL 44 HG21 VAL 44 36.045 6.315 51.188 262 HG22 VAL 44 HG22 VAL 44 35.267 6.199 49.611 263 HG23 VAL 44 HG23 VAL 44 36.809 5.392 49.895 264 H GLN 45 H GLN 45 33.546 8.052 49.878 265 HA GLN 45 HA GLN 45 32.740 9.708 51.880 266 HB3 GLN 45 HB2 GLN 45 32.001 6.790 51.909 267 HG3 GLN 45 HG2 GLN 45 29.794 8.582 51.965 268 HE21 GLN 45 HE21 GLN 45 30.148 8.366 55.050 269 HE22 GLN 45 HE22 GLN 45 29.643 6.746 55.373 270 HA PRO 46 HA PRO 46 35.712 8.504 55.049 271 HB3 PRO 46 HB2 PRO 46 36.269 10.727 55.215 272 HG3 PRO 46 HG2 PRO 46 34.737 12.391 54.675 273 HD3 PRO 46 HD2 PRO 46 34.566 11.068 52.796 274 H GLU 47 H GLU 47 35.245 9.036 57.671 275 HA GLU 47 HA GLU 47 33.192 7.127 58.307 276 HB3 GLU 47 HB2 GLU 47 33.913 7.681 60.697 277 HG3 GLU 47 HG2 GLU 47 35.153 6.086 58.783 278 H ASP 48 H ASP 48 33.775 10.265 59.871 279 HA ASP 48 HA ASP 48 31.274 11.395 59.217 280 HB3 ASP 48 HB2 ASP 48 31.429 10.292 62.028 281 H ASN 49 H ASN 49 32.625 13.174 58.866 282 HA ASN 49 HA ASN 49 33.125 14.759 61.239 283 HB3 ASN 49 HB2 ASN 49 35.492 15.143 59.807 284 HD21 ASN 49 HD21 ASN 49 35.962 12.335 61.523 285 HD22 ASN 49 HD22 ASN 49 36.321 13.021 63.069 286 H LYS 50 H LYS 50 34.369 14.928 57.912 287 HA LYS 50 HA LYS 50 32.457 16.763 56.960 288 HB3 LYS 50 HB2 LYS 50 35.072 17.989 57.861 289 HG3 LYS 50 HG2 LYS 50 33.584 20.106 57.269 290 HD3 LYS 50 HD2 LYS 50 34.666 19.404 54.773 291 HE3 LYS 50 HE2 LYS 50 36.512 20.880 55.463 292 HZ1 LYS 50 HZ1 LYS 50 35.164 22.590 55.132 293 HZ2 LYS 50 HZ2 LYS 50 34.455 22.415 56.658 294 HZ3 LYS 50 HZ3 LYS 50 33.839 21.559 55.335 295 H GLY 51 H GLY 51 32.824 17.372 54.789 296 HA2 GLY 51 HA2 GLY 51 34.859 17.432 53.142 297 HA3 GLY 51 HA3 GLY 51 34.847 15.707 53.473 298 H VAL 52 H VAL 52 31.748 16.230 53.718 299 HA VAL 52 HA VAL 52 31.189 15.368 51.031 300 HB VAL 52 HB VAL 52 29.242 16.015 53.247 301 HG11 VAL 52 HG11 VAL 52 27.694 14.602 51.994 302 HG12 VAL 52 HG12 VAL 52 28.226 15.978 51.026 303 HG13 VAL 52 HG13 VAL 52 28.909 14.377 50.737 304 HG21 VAL 52 HG21 VAL 52 30.921 14.269 53.835 305 HG22 VAL 52 HG22 VAL 52 29.258 13.683 53.806 306 HG23 VAL 52 HG23 VAL 52 30.344 13.321 52.465 307 H PHE 53 H PHE 53 31.092 18.342 52.786 308 HA PHE 53 HA PHE 53 29.188 19.750 51.280 309 HB3 PHE 53 HB2 PHE 53 30.982 21.685 52.023 310 HD1 PHE 53 HD1 PHE 53 29.066 19.299 54.162 311 HD2 PHE 53 HD2 PHE 53 29.456 23.264 52.664 312 HE1 PHE 53 HE1 PHE 53 27.116 19.991 55.494 313 HE2 PHE 53 HE2 PHE 53 27.507 23.961 53.994 314 HZ PHE 53 HZ PHE 53 26.335 22.324 55.412 315 H GLN 54 H GLN 54 32.659 19.280 50.817 316 HA GLN 54 HA GLN 54 33.070 21.071 48.725 317 HB3 GLN 54 HB2 GLN 54 34.720 18.900 48.156 318 HG3 GLN 54 HG2 GLN 54 36.053 20.339 50.133 319 HE21 GLN 54 HE21 GLN 54 37.834 19.652 49.092 320 HE22 GLN 54 HE22 GLN 54 38.292 20.152 47.503 321 H GLY 55 H GLY 55 31.544 17.946 48.759 322 HA2 GLY 55 HA2 GLY 55 31.722 17.350 46.002 323 HA3 GLY 55 HA3 GLY 55 30.526 16.706 47.117 324 H VAL 56 H VAL 56 29.537 19.380 47.833 325 HA VAL 56 HA VAL 56 27.407 19.596 46.075 326 HB VAL 56 HB VAL 56 28.586 21.796 47.779 327 HG11 VAL 56 HG11 VAL 56 25.824 22.105 47.590 328 HG12 VAL 56 HG12 VAL 56 27.060 23.105 46.825 329 HG13 VAL 56 HG13 VAL 56 26.356 21.746 45.948 330 HG21 VAL 56 HG21 VAL 56 26.939 19.426 48.376 331 HG22 VAL 56 HG22 VAL 56 28.033 20.341 49.414 332 HG23 VAL 56 HG23 VAL 56 26.401 20.937 49.109 333 H HIS 57 H HIS 57 30.467 21.383 46.095 334 HA HIS 57 HA HIS 57 29.727 22.793 43.658 335 HB3 HIS 57 HB2 HIS 57 32.459 23.017 44.826 336 HD1 HIS 57 HD1 HIS 57 33.544 24.806 43.530 337 HD2 HIS 57 HD2 HIS 57 29.436 25.378 43.787 338 HE1 HIS 57 HE1 HIS 57 33.074 26.906 42.230 339 H ASP 58 H ASP 58 32.070 20.390 44.767 340 HA ASP 58 HA ASP 58 33.580 20.140 42.441 341 HB3 ASP 58 HB2 ASP 58 32.917 17.730 44.096 342 H SER 59 H SER 59 30.369 19.075 43.151 343 HA SER 59 HA SER 59 30.081 16.985 41.319 344 HB3 SER 59 HB2 SER 59 27.611 17.800 41.303 345 HG SER 59 HG SER 59 27.509 17.194 43.646 346 H ALA 60 H ALA 60 29.533 20.471 40.905 347 HA ALA 60 HA ALA 60 29.090 20.098 38.048 348 HB1 ALA 60 HB1 ALA 60 29.194 22.846 39.022 349 HB2 ALA 60 HB2 ALA 60 27.936 22.010 38.111 350 HB3 ALA 60 HB3 ALA 60 28.014 21.841 39.865 351 H GLU 61 H GLU 61 31.752 19.941 39.679 352 HA GLU 61 HA GLU 61 33.458 21.987 38.885 353 HB3 GLU 61 HB2 GLU 61 34.008 19.061 39.376 354 HG3 GLU 61 HG2 GLU 61 35.835 19.969 38.040 355 H LYS 62 H LYS 62 33.471 18.749 37.401 356 HA LYS 62 HA LYS 62 33.087 19.584 34.759 357 HB3 LYS 62 HB2 LYS 62 35.854 18.843 34.629 358 HG3 LYS 62 HG2 LYS 62 35.539 21.585 34.025 359 HD3 LYS 62 HD2 LYS 62 35.627 20.664 31.656 360 HE3 LYS 62 HE2 LYS 62 37.587 20.902 33.597 361 HZ1 LYS 62 HZ1 LYS 62 37.375 18.194 33.023 362 HZ2 LYS 62 HZ2 LYS 62 38.608 18.975 33.877 363 HZ3 LYS 62 HZ3 LYS 62 38.751 18.747 32.207 364 H GLY 63 H GLY 63 34.465 17.819 33.265 365 HA2 GLY 63 HA2 GLY 63 34.085 15.203 34.569 366 HA3 GLY 63 HA3 GLY 63 33.332 15.537 33.017 367 H LYS 64 H LYS 64 35.157 16.665 31.498 368 HA LYS 64 HA LYS 64 37.076 16.385 30.295 369 HB3 LYS 64 HB2 LYS 64 38.204 14.600 32.428 370 HG3 LYS 64 HG2 LYS 64 40.224 16.116 31.913 371 HD3 LYS 64 HD2 LYS 64 39.339 14.303 29.679 372 HE3 LYS 64 HE2 LYS 64 41.913 13.693 30.310 373 HZ1 LYS 64 HZ1 LYS 64 42.515 14.917 28.347 374 HZ2 LYS 64 HZ2 LYS 64 41.093 15.831 28.419 375 HZ3 LYS 64 HZ3 LYS 64 41.017 14.174 28.091 376 H ASP 65 H ASP 65 36.815 13.307 32.076 377 HA ASP 65 HA ASP 65 36.940 11.871 29.540 378 HB3 ASP 65 HB2 ASP 65 37.298 9.877 30.894 379 H ASN 66 H ASN 66 34.589 13.252 29.790 380 HA ASN 66 HA ASN 66 32.671 11.116 29.641 381 HB3 ASN 66 HB2 ASN 66 31.115 12.439 31.273 382 HD21 ASN 66 HD21 ASN 66 33.324 12.042 33.611 383 HD22 ASN 66 HD22 ASN 66 33.135 10.354 33.932 384 H ALA 67 H ALA 67 31.758 11.591 27.756 385 HA ALA 67 HA ALA 67 31.682 14.132 26.574 386 HB1 ALA 67 HB1 ALA 67 31.009 12.983 24.793 387 HB2 ALA 67 HB2 ALA 67 31.070 11.534 25.796 388 HB3 ALA 67 HB3 ALA 67 29.557 12.422 25.621 389 H GLU 68 H GLU 68 29.179 14.610 25.636 390 HA GLU 68 HA GLU 68 27.963 15.944 27.840 391 HB3 GLU 68 HB2 GLU 68 26.182 16.505 26.133 392 HG3 GLU 68 HG2 GLU 68 29.056 17.060 25.460 393 H GLY 69 H GLY 69 27.497 14.181 29.269 394 HA2 GLY 69 HA2 GLY 69 25.415 13.270 30.154 395 HA3 GLY 69 HA3 GLY 69 25.017 12.765 28.517 396 H GLN 70 H GLN 70 26.761 11.261 27.536 397 HA GLN 70 HA GLN 70 27.447 9.256 29.582 398 HB3 GLN 70 HB2 GLN 70 27.337 8.266 26.844 399 HG3 GLN 70 HG2 GLN 70 27.307 6.870 28.914 400 HE21 GLN 70 HE21 GLN 70 24.226 6.024 28.752 401 HE22 GLN 70 HE22 GLN 70 23.596 6.796 30.163 402 H GLY 71 H GLY 71 29.389 8.037 29.290 403 HA2 GLY 71 HA2 GLY 71 31.577 9.639 28.397 404 HA3 GLY 71 HA3 GLY 71 31.676 7.996 29.016 405 H GLU 72 H GLU 72 30.473 6.412 27.341 406 HA GLU 72 HA GLU 72 32.174 6.255 25.119 407 HB3 GLU 72 HB2 GLU 72 29.678 4.860 24.675 408 HG3 GLU 72 HG2 GLU 72 32.105 3.480 25.671 409 H SER 73 H SER 73 30.750 5.700 22.894 410 HA SER 73 HA SER 73 30.296 8.215 21.761 411 HB3 SER 73 HB2 SER 73 29.910 7.095 19.785 412 HG SER 73 HG SER 73 31.769 6.124 20.411 413 H LEU 74 H LEU 74 28.790 9.487 22.727 414 HA LEU 74 HA LEU 74 26.354 8.726 23.804 415 HB3 LEU 74 HB2 LEU 74 27.143 11.323 22.494 416 HG LEU 74 HG LEU 74 24.692 11.271 22.730 417 HD11 LEU 74 HD11 LEU 74 23.972 11.401 25.251 418 HD12 LEU 74 HD12 LEU 74 25.412 10.411 25.487 419 HD13 LEU 74 HD13 LEU 74 24.119 9.848 24.427 420 HD21 LEU 74 HD21 LEU 74 24.625 13.238 24.447 421 HD22 LEU 74 HD22 LEU 74 25.476 13.427 22.913 422 HD23 LEU 74 HD23 LEU 74 26.381 13.088 24.389 423 H ALA 75 H ALA 75 27.263 9.191 20.488 424 HA ALA 75 HA ALA 75 24.839 9.648 19.246 425 HB1 ALA 75 HB1 ALA 75 26.117 7.885 17.543 426 HB2 ALA 75 HB2 ALA 75 26.313 9.638 17.575 427 HB3 ALA 75 HB3 ALA 75 27.433 8.608 18.468 428 H ASP 76 H ASP 76 26.056 6.717 20.694 429 HA ASP 76 HA ASP 76 24.143 4.963 19.505 430 HB3 ASP 76 HB2 ASP 76 25.231 4.133 22.097 431 H GLN 77 H GLN 77 24.278 6.871 22.447 432 HA GLN 77 HA GLN 77 21.937 5.699 23.610 433 HB3 GLN 77 HB2 GLN 77 22.259 8.161 24.823 434 HG3 GLN 77 HG2 GLN 77 24.048 6.524 26.165 435 HE21 GLN 77 HE21 GLN 77 20.935 5.201 26.348 436 HE22 GLN 77 HE22 GLN 77 20.347 6.145 27.671 437 H ALA 78 H ALA 78 22.633 8.501 21.612 438 HA ALA 78 HA ALA 78 20.051 9.690 21.871 439 HB1 ALA 78 HB1 ALA 78 21.028 10.684 19.530 440 HB2 ALA 78 HB2 ALA 78 21.381 11.335 21.130 441 HB3 ALA 78 HB3 ALA 78 22.508 10.214 20.367 442 H ARG 79 H ARG 79 21.527 7.418 19.628 443 HA ARG 79 HA ARG 79 19.365 7.459 17.756 444 HB3 ARG 79 HB2 ARG 79 21.688 5.585 18.183 445 HG3 ARG 79 HG2 ARG 79 19.313 5.097 16.624 446 HD3 ARG 79 HD2 ARG 79 21.077 6.262 15.013 447 HE ARG 79 HE ARG 79 22.915 4.931 14.794 448 HH11 ARG 79 HH11 ARG 79 20.098 2.903 15.059 449 HH12 ARG 79 HH12 ARG 79 20.967 1.434 14.760 450 HH21 ARG 79 HH21 ARG 79 24.071 3.005 14.399 451 HH22 ARG 79 HH22 ARG 79 23.226 1.493 14.385 452 H ASP 80 H ASP 80 20.380 5.221 20.323 453 HA ASP 80 HA ASP 80 18.350 3.324 19.970 454 HB3 ASP 80 HB2 ASP 80 19.351 3.902 22.720 455 H TYR 81 H TYR 81 18.466 6.252 21.953 456 HA TYR 81 HA TYR 81 15.928 5.852 23.170 457 HB3 TYR 81 HB2 TYR 81 17.300 8.512 22.787 458 HD1 TYR 81 HD2 TYR 81 15.239 6.322 24.988 459 HD2 TYR 81 HD1 TYR 81 16.409 10.291 23.997 460 HE1 TYR 81 HE2 TYR 81 13.557 7.202 26.551 461 HE2 TYR 81 HE1 TYR 81 14.729 11.181 25.558 462 HH TYR 81 HH TYR 81 12.223 9.491 26.723 463 H MET 82 H MET 82 17.033 7.672 20.347 464 HA MET 82 HA MET 82 14.564 8.915 19.768 465 HB3 MET 82 HB2 MET 82 15.690 8.847 17.347 466 HG3 MET 82 HG2 MET 82 17.353 10.671 18.325 467 HE1 MET 82 HE1 MET 82 15.176 11.406 15.430 468 HE2 MET 82 HE2 MET 82 16.299 12.610 16.059 469 HE3 MET 82 HE3 MET 82 16.725 10.898 16.100 470 H GLY 83 H GLY 83 16.118 6.067 18.274 471 HA2 GLY 83 HA2 GLY 83 14.037 5.360 16.568 472 HA3 GLY 83 HA3 GLY 83 15.214 4.235 17.229 473 H ALA 84 H ALA 84 14.393 4.791 20.001 474 HA ALA 84 HA ALA 84 12.371 2.800 20.210 475 HB1 ALA 84 HB1 ALA 84 13.579 4.631 22.276 476 HB2 ALA 84 HB2 ALA 84 12.463 3.314 22.642 477 HB3 ALA 84 HB3 ALA 84 14.037 2.965 21.927 478 H ALA 85 H ALA 85 12.397 6.313 20.476 479 HA ALA 85 HA ALA 85 9.753 6.597 21.448 480 HB1 ALA 85 HB1 ALA 85 10.533 8.656 21.713 481 HB2 ALA 85 HB2 ALA 85 11.900 8.324 20.647 482 HB3 ALA 85 HB3 ALA 85 10.374 8.898 19.972 483 H LYS 86 H LYS 86 11.112 6.249 18.245 484 HA LYS 86 HA LYS 86 8.884 7.114 16.752 485 HB3 LYS 86 HB2 LYS 86 9.935 6.128 14.869 486 HG3 LYS 86 HG2 LYS 86 12.391 6.494 16.504 487 HD3 LYS 86 HD2 LYS 86 11.559 6.725 13.740 488 HE3 LYS 86 HE2 LYS 86 12.838 9.092 15.069 489 HZ1 LYS 86 HZ1 LYS 86 13.190 9.762 12.612 490 HZ2 LYS 86 HZ2 LYS 86 13.233 8.095 12.330 491 HZ3 LYS 86 HZ3 LYS 86 14.353 8.803 13.383 492 H SER 87 H SER 87 9.934 3.806 17.583 493 HA SER 87 HA SER 87 7.698 2.495 16.520 494 HB3 SER 87 HB2 SER 87 9.062 1.378 18.935 495 HG SER 87 HG SER 87 7.510 0.282 17.424 496 H LYS 88 H LYS 88 8.350 3.658 19.808 497 HA LYS 88 HA LYS 88 5.977 2.706 20.981 498 HB3 LYS 88 HB2 LYS 88 6.439 4.584 22.669 499 HG3 LYS 88 HG2 LYS 88 8.513 3.555 23.535 500 HD3 LYS 88 HD2 LYS 88 7.405 1.064 23.119 501 HE3 LYS 88 HE2 LYS 88 7.890 2.127 25.282 502 HZ1 LYS 88 HZ1 LYS 88 7.051 4.254 25.231 503 HZ2 LYS 88 HZ2 LYS 88 5.891 3.464 26.175 504 HZ3 LYS 88 HZ3 LYS 88 5.575 3.789 24.545 505 H LEU 89 H LEU 89 6.790 5.935 19.716 506 HA LEU 89 HA LEU 89 4.394 7.215 20.201 507 HB3 LEU 89 HB2 LEU 89 6.211 7.533 17.815 508 HG LEU 89 HG LEU 89 4.282 8.810 17.280 509 HD11 LEU 89 HD11 LEU 89 3.827 10.657 19.241 510 HD12 LEU 89 HD12 LEU 89 4.159 9.196 20.171 511 HD13 LEU 89 HD13 LEU 89 2.870 9.200 18.967 512 HD21 LEU 89 HD21 LEU 89 5.534 10.548 16.704 513 HD22 LEU 89 HD22 LEU 89 6.779 9.983 17.821 514 HD23 LEU 89 HD23 LEU 89 5.556 11.133 18.368 515 H ASN 90 H ASN 90 5.324 5.506 17.212 516 HA ASN 90 HA ASN 90 2.887 5.784 15.883 517 HB3 ASN 90 HB2 ASN 90 4.224 3.239 15.351 518 HD21 ASN 90 HD21 ASN 90 5.271 6.008 13.654 519 HD22 ASN 90 HD22 ASN 90 4.213 5.859 12.296 520 H ASP 91 H ASP 91 3.857 3.624 18.421 521 HA ASP 91 HA ASP 91 1.780 1.706 18.070 522 HB3 ASP 91 HB2 ASP 91 2.661 1.883 20.807 523 H ALA 92 H ALA 92 2.098 4.691 19.890 524 HA ALA 92 HA ALA 92 -0.411 4.340 21.270 525 HB1 ALA 92 HB1 ALA 92 0.459 5.850 22.643 526 HB2 ALA 92 HB2 ALA 92 1.865 5.981 21.585 527 HB3 ALA 92 HB3 ALA 92 0.480 7.049 21.349 528 H VAL 93 H VAL 93 0.812 6.399 18.645 529 HA VAL 93 HA VAL 93 -1.441 7.927 18.165 530 HB VAL 93 HB VAL 93 0.371 6.840 16.011 531 HG11 VAL 93 HG11 VAL 93 -1.697 8.025 15.293 532 HG12 VAL 93 HG12 VAL 93 -1.123 9.454 16.155 533 HG13 VAL 93 HG13 VAL 93 -0.206 8.821 14.788 534 HG21 VAL 93 HG21 VAL 93 1.173 9.427 16.776 535 HG22 VAL 93 HG22 VAL 93 1.009 8.491 18.262 536 HG23 VAL 93 HG23 VAL 93 2.064 7.918 16.969 537 H GLU 94 H GLU 94 -0.564 4.864 16.555 538 HA GLU 94 HA GLU 94 -2.783 4.544 14.966 539 HB3 GLU 94 HB2 GLU 94 -2.120 1.991 16.073 540 HG3 GLU 94 HG2 GLU 94 -0.644 2.355 13.728 541 H TYR 95 H TYR 95 -2.442 3.884 18.402 542 HA TYR 95 HA TYR 95 -5.005 2.620 18.656 543 HB3 TYR 95 HB2 TYR 95 -3.272 3.811 20.829 544 HD1 TYR 95 HD1 TYR 95 -5.506 4.411 21.918 545 HD2 TYR 95 HD2 TYR 95 -4.338 0.409 21.066 546 HE1 TYR 95 HE1 TYR 95 -7.160 3.590 23.541 547 HE2 TYR 95 HE2 TYR 95 -5.991 -0.423 22.687 548 HH TYR 95 HH TYR 95 -7.230 1.117 25.005 549 H VAL 96 H VAL 96 -3.707 5.851 19.252 550 HA VAL 96 HA VAL 96 -6.018 6.941 20.450 551 HB VAL 96 HB VAL 96 -3.928 8.416 18.844 552 HG11 VAL 96 HG11 VAL 96 -6.074 9.611 19.395 553 HG12 VAL 96 HG12 VAL 96 -5.639 9.444 21.098 554 HG13 VAL 96 HG13 VAL 96 -4.604 10.369 20.009 555 HG21 VAL 96 HG21 VAL 96 -3.460 8.742 21.584 556 HG22 VAL 96 HG22 VAL 96 -3.728 7.015 21.349 557 HG23 VAL 96 HG23 VAL 96 -2.474 7.846 20.428 558 H SER 97 H SER 97 -4.827 7.116 17.098 559 HA SER 97 HA SER 97 -6.957 8.592 16.047 560 HB3 SER 97 HB2 SER 97 -5.964 6.690 14.113 561 HG SER 97 HG SER 97 -5.042 9.319 14.264 562 H GLY 98 H GLY 98 -6.642 5.181 16.745 563 HA2 GLY 98 HA2 GLY 98 -8.988 4.411 15.266 564 HA3 GLY 98 HA3 GLY 98 -8.077 3.401 16.380 565 H ARG 99 H ARG 99 -8.362 5.613 18.443 566 HA ARG 99 HA ARG 99 -10.895 4.658 19.500 567 HB3 ARG 99 HB2 ARG 99 -9.910 6.427 21.355 568 HG3 ARG 99 HG2 ARG 99 -8.599 4.212 22.129 569 HD3 ARG 99 HD2 ARG 99 -11.575 4.128 22.245 570 HE ARG 99 HE ARG 99 -9.666 2.926 23.757 571 HH11 ARG 99 HH11 ARG 99 -12.164 5.264 24.409 572 HH12 ARG 99 HH12 ARG 99 -12.392 4.755 26.051 573 HH21 ARG 99 HH21 ARG 99 -9.959 2.248 25.915 574 HH22 ARG 99 HH22 ARG 99 -11.137 3.040 26.906 575 H VAL 100 H VAL 100 -9.352 7.784 18.786 576 HA VAL 100 HA VAL 100 -11.396 9.491 19.505 577 HB VAL 100 HB VAL 100 -9.508 9.765 17.160 578 HG11 VAL 100 HG11 VAL 100 -10.221 12.283 18.185 579 HG12 VAL 100 HG12 VAL 100 -10.628 11.602 16.610 580 HG13 VAL 100 HG13 VAL 100 -11.725 11.389 17.976 581 HG21 VAL 100 HG21 VAL 100 -9.248 10.151 20.062 582 HG22 VAL 100 HG22 VAL 100 -8.015 9.833 18.843 583 HG23 VAL 100 HG23 VAL 100 -8.626 11.472 19.073 584 H HIS 101 H HIS 101 -11.009 7.646 16.521 585 HA HIS 101 HA HIS 101 -13.163 8.816 15.115 586 HB3 HIS 101 HB2 HIS 101 -13.011 6.310 14.057 587 HD1 HIS 101 HD1 HIS 101 -13.513 8.943 12.802 588 HD2 HIS 101 HD2 HIS 101 -9.730 7.222 12.842 589 HE1 HIS 101 HE1 HIS 101 -12.266 10.016 10.901 590 H GLY 102 H GLY 102 -15.029 8.931 16.310 591 HA2 GLY 102 HA2 GLY 102 -17.175 7.868 16.521 592 HA3 GLY 102 HA3 GLY 102 -16.346 6.347 16.815 593 H GLU 103 H GLU 103 -14.449 7.469 18.704 594 HA GLU 103 HA GLU 103 -16.280 7.867 20.976 595 HB3 GLU 103 HB2 GLU 103 -13.771 7.074 21.960 596 HG3 GLU 103 HG2 GLU 103 -15.960 5.098 21.502 597 H GLU 104 H GLU 104 -14.822 8.798 22.926 598 HA GLU 104 HA GLU 104 -13.520 11.220 21.862 599 HB3 GLU 104 HB2 GLU 104 -15.689 11.706 22.912 600 HG3 GLU 104 HG2 GLU 104 -14.451 10.632 25.438 601 H ASP 105 H ASP 105 -12.280 12.303 23.870 602 HA ASP 105 HA ASP 105 -10.742 10.223 25.258 603 HB3 ASP 105 HB2 ASP 105 -8.794 12.050 24.702 604 HA PRO 106 HA PRO 106 -10.943 12.804 28.797 605 HB3 PRO 106 HB2 PRO 106 -9.761 11.189 29.927 606 HG3 PRO 106 HG2 PRO 106 -8.032 10.028 28.895 607 HD3 PRO 106 HD2 PRO 106 -9.680 9.780 27.303 608 H THR 107 H THR 107 -9.542 14.481 30.075 609 HA THR 107 HA THR 107 -7.740 16.056 28.466 610 HB THR 107 HB THR 107 -10.075 17.639 29.407 611 HG1 THR 107 HG1 THR 107 -11.265 16.200 28.286 612 HG21 THR 107 HG21 THR 107 -9.042 19.201 28.202 613 HG22 THR 107 HG22 THR 107 -9.164 18.202 26.754 614 HG23 THR 107 HG23 THR 107 -7.771 18.039 27.822 615 H LYS 108 H LYS 108 -9.783 15.933 31.360 616 HA LYS 108 HA LYS 108 -9.376 16.455 33.537 617 HB3 LYS 108 HB2 LYS 108 -6.438 16.662 33.037 618 HG3 LYS 108 HG2 LYS 108 -6.944 14.778 34.999 619 HD3 LYS 108 HD2 LYS 108 -6.178 17.672 35.002 620 HE3 LYS 108 HE2 LYS 108 -6.408 15.910 37.442 621 HZ1 LYS 108 HZ1 LYS 108 -5.645 18.762 37.402 622 HZ2 LYS 108 HZ2 LYS 108 -4.478 17.546 37.258 623 HZ3 LYS 108 HZ3 LYS 108 -5.445 17.631 38.644 624 H LYS 109 H LYS 109 -8.462 18.171 34.986 625 HA LYS 109 HA LYS 109 -8.328 20.713 33.510 626 HB3 LYS 109 HB2 LYS 109 -8.807 20.890 36.389 627 HG3 LYS 109 HG2 LYS 109 -9.613 22.236 33.988 628 HD3 LYS 109 HD2 LYS 109 -11.924 22.727 35.340 629 HE3 LYS 109 HE2 LYS 109 -11.449 22.239 32.863 630 HZ1 LYS 109 HZ1 LYS 109 -12.657 19.636 33.210 631 HZ2 LYS 109 HZ2 LYS 109 -11.039 19.725 33.696 632 HZ3 LYS 109 HZ3 LYS 109 -11.471 20.143 32.114 Start of MODEL 15 1 H1 MET 1 H MET 1 28.071 26.429 19.239 2 HA MET 1 HA MET 1 28.178 24.739 20.758 3 HB3 MET 1 HB2 MET 1 31.021 24.478 19.765 4 HG3 MET 1 HG2 MET 1 30.296 23.169 21.852 5 HE1 MET 1 HE1 MET 1 29.319 20.034 22.291 6 HE2 MET 1 HE2 MET 1 29.324 21.632 23.036 7 HE3 MET 1 HE3 MET 1 27.793 20.820 22.698 8 H SER 2 H SER 2 30.622 27.193 20.876 9 HA SER 2 HA SER 2 30.944 26.719 23.768 10 HB3 SER 2 HB2 SER 2 33.116 27.939 23.547 11 HG SER 2 HG SER 2 33.179 25.834 21.694 12 H ASP 3 H ASP 3 31.604 29.497 21.648 13 HA ASP 3 HA ASP 3 29.458 31.094 22.455 14 HB3 ASP 3 HB2 ASP 3 31.678 32.382 23.811 15 H ALA 4 H ALA 4 30.456 33.617 22.405 16 HA ALA 4 HA ALA 4 30.925 34.111 19.720 17 HB1 ALA 4 HB1 ALA 4 30.582 35.646 22.028 18 HB2 ALA 4 HB2 ALA 4 32.116 36.174 21.334 19 HB3 ALA 4 HB3 ALA 4 30.647 36.218 20.361 20 H GLY 5 H GLY 5 32.925 35.413 18.938 21 HA2 GLY 5 HA2 GLY 5 35.085 33.705 18.696 22 HA3 GLY 5 HA3 GLY 5 35.162 35.437 18.411 23 H ARG 6 H ARG 6 36.289 32.906 20.295 24 HA ARG 6 HA ARG 6 37.519 34.809 22.162 25 HB3 ARG 6 HB2 ARG 6 37.316 32.877 23.884 26 HG3 ARG 6 HG2 ARG 6 34.627 34.008 23.342 27 HD3 ARG 6 HD2 ARG 6 34.633 34.397 25.704 28 HE ARG 6 HE ARG 6 34.778 31.866 24.781 29 HH11 ARG 6 HH11 ARG 6 35.995 33.421 27.647 30 HH12 ARG 6 HH12 ARG 6 35.893 31.994 28.623 31 HH21 ARG 6 HH21 ARG 6 34.637 29.980 26.056 32 HH22 ARG 6 HH22 ARG 6 35.121 30.036 27.718 33 H LYS 7 H LYS 7 38.109 32.851 19.738 34 HA LYS 7 HA LYS 7 40.471 31.561 20.918 35 HB3 LYS 7 HB2 LYS 7 38.944 30.078 19.694 36 HG3 LYS 7 HG2 LYS 7 39.655 30.970 17.028 37 HD3 LYS 7 HD2 LYS 7 36.844 30.780 17.904 38 HE3 LYS 7 HE2 LYS 7 38.437 30.327 15.559 39 HZ1 LYS 7 HZ1 LYS 7 37.883 28.245 14.904 40 HZ2 LYS 7 HZ2 LYS 7 36.465 28.190 15.825 41 HZ3 LYS 7 HZ3 LYS 7 37.966 27.949 16.568 42 H GLY 8 H GLY 8 42.120 31.272 18.807 43 HA2 GLY 8 HA2 GLY 8 43.444 33.730 18.649 44 HA3 GLY 8 HA3 GLY 8 43.749 32.350 17.603 45 H PHE 9 H PHE 9 40.793 32.543 16.811 46 HA PHE 9 HA PHE 9 41.210 34.021 14.434 47 HB3 PHE 9 HB2 PHE 9 38.405 33.630 15.052 48 HD1 PHE 9 HD2 PHE 9 40.922 31.393 13.469 49 HD2 PHE 9 HD1 PHE 9 37.690 34.107 12.908 50 HE1 PHE 9 HE2 PHE 9 40.908 30.875 11.065 51 HE2 PHE 9 HE1 PHE 9 37.671 33.591 10.502 52 HZ PHE 9 HZ PHE 9 39.283 31.975 9.577 53 H GLY 10 H GLY 10 39.989 34.856 17.565 54 HA2 GLY 10 HA2 GLY 10 38.410 37.074 16.982 55 HA3 GLY 10 HA3 GLY 10 39.330 36.860 18.464 56 H GLU 11 H GLU 11 41.874 37.078 17.842 57 HA GLU 11 HA GLU 11 42.343 39.785 17.523 58 HB3 GLU 11 HB2 GLU 11 44.624 38.372 16.555 59 HG3 GLU 11 HG2 GLU 11 44.634 38.849 19.407 60 H LYS 12 H LYS 12 42.746 37.218 15.087 61 HA LYS 12 HA LYS 12 43.520 38.875 12.969 62 HB3 LYS 12 HB2 LYS 12 43.016 37.026 11.521 63 HG3 LYS 12 HG2 LYS 12 44.081 35.151 12.571 64 HD3 LYS 12 HD2 LYS 12 45.207 37.734 13.655 65 HE3 LYS 12 HE2 LYS 12 46.191 35.683 14.641 66 HZ1 LYS 12 HZ1 LYS 12 47.588 34.951 12.240 67 HZ2 LYS 12 HZ2 LYS 12 45.931 34.614 12.168 68 HZ3 LYS 12 HZ3 LYS 12 46.871 33.967 13.416 69 H ALA 13 H ALA 13 40.303 37.760 13.964 70 HA ALA 13 HA ALA 13 38.783 38.769 11.890 71 HB1 ALA 13 HB1 ALA 13 37.139 39.180 14.014 72 HB2 ALA 13 HB2 ALA 13 37.390 37.623 13.224 73 HB3 ALA 13 HB3 ALA 13 38.294 38.027 14.683 74 H SER 14 H SER 14 39.631 40.418 14.934 75 HA SER 14 HA SER 14 38.406 42.865 14.309 76 HB3 SER 14 HB2 SER 14 40.424 43.619 15.976 77 HG SER 14 HG SER 14 38.387 43.884 16.681 78 H GLU 15 H GLU 15 41.458 41.496 13.381 79 HA GLU 15 HA GLU 15 42.615 43.981 12.510 80 HB3 GLU 15 HB2 GLU 15 44.272 42.373 11.377 81 HG3 GLU 15 HG2 GLU 15 44.512 41.466 14.073 82 H ALA 16 H ALA 16 40.817 41.347 11.051 83 HA ALA 16 HA ALA 16 41.273 42.016 8.348 84 HB1 ALA 16 HB1 ALA 16 40.390 39.842 9.091 85 HB2 ALA 16 HB2 ALA 16 38.874 40.628 9.536 86 HB3 ALA 16 HB3 ALA 16 39.386 40.587 7.848 87 H LEU 17 H LEU 17 38.555 42.791 10.518 88 HA LEU 17 HA LEU 17 37.134 44.361 8.662 89 HB3 LEU 17 HB2 LEU 17 36.126 43.432 10.683 90 HG LEU 17 HG LEU 17 38.168 44.210 12.193 91 HD11 LEU 17 HD11 LEU 17 36.307 46.260 13.165 92 HD12 LEU 17 HD12 LEU 17 37.126 46.652 11.653 93 HD13 LEU 17 HD13 LEU 17 38.070 46.263 13.092 94 HD21 LEU 17 HD21 LEU 17 36.380 42.718 12.891 95 HD22 LEU 17 HD22 LEU 17 35.295 44.092 13.107 96 HD23 LEU 17 HD23 LEU 17 36.711 43.915 14.143 97 H LYS 18 H LYS 18 39.591 45.172 11.065 98 HA LYS 18 HA LYS 18 39.425 47.966 10.865 99 HB3 LYS 18 HB2 LYS 18 42.105 47.399 11.378 100 HG3 LYS 18 HG2 LYS 18 40.327 47.193 13.705 101 HD3 LYS 18 HD2 LYS 18 42.346 49.314 13.017 102 HE3 LYS 18 HE2 LYS 18 41.782 48.107 15.702 103 HZ1 LYS 18 HZ1 LYS 18 42.265 50.731 16.001 104 HZ2 LYS 18 HZ2 LYS 18 43.234 50.375 14.662 105 HZ3 LYS 18 HZ3 LYS 18 43.446 49.524 16.108 106 HA PRO 19 HA PRO 19 41.327 49.031 7.057 107 HB3 PRO 19 HB2 PRO 19 41.050 51.235 7.643 108 HG3 PRO 19 HG2 PRO 19 41.359 51.941 9.837 109 HD3 PRO 19 HD2 PRO 19 39.951 50.151 10.192 110 H ASP 20 H ASP 20 43.676 49.962 6.305 111 HA ASP 20 HA ASP 20 45.808 48.452 7.600 112 HB3 ASP 20 HB2 ASP 20 45.434 46.765 6.113 113 H SER 21 H SER 21 45.524 49.935 4.385 114 HA SER 21 HA SER 21 46.554 51.732 3.437 115 HB3 SER 21 HB2 SER 21 47.786 53.090 5.595 116 HG SER 21 HG SER 21 45.417 54.121 5.170 117 H GLN 22 H GLN 22 48.670 51.325 6.262 118 HA GLN 22 HA GLN 22 51.045 51.432 4.772 119 HB3 GLN 22 HB2 GLN 22 51.377 49.919 7.210 120 HG3 GLN 22 HG2 GLN 22 52.053 52.711 7.420 121 HE21 GLN 22 HE21 GLN 22 54.779 51.969 6.396 122 HE22 GLN 22 HE22 GLN 22 55.459 50.994 7.648 123 H LYS 23 H LYS 23 52.657 49.378 5.505 124 HA LYS 23 HA LYS 23 52.245 47.451 3.571 125 HB3 LYS 23 HB2 LYS 23 54.421 47.720 4.520 126 HG3 LYS 23 HG2 LYS 23 53.489 46.563 7.127 127 HD3 LYS 23 HD2 LYS 23 55.763 48.272 7.277 128 HE3 LYS 23 HE2 LYS 23 56.183 45.366 7.372 129 HZ1 LYS 23 HZ1 LYS 23 57.709 46.923 8.390 130 HZ2 LYS 23 HZ2 LYS 23 57.010 45.941 9.575 131 HZ3 LYS 23 HZ3 LYS 23 56.480 47.535 9.379 132 H SER 24 H SER 24 50.463 46.237 3.420 133 HA SER 24 HA SER 24 49.081 45.256 5.749 134 HB3 SER 24 HB2 SER 24 47.883 43.951 3.704 135 HG SER 24 HG SER 24 46.798 45.420 5.004 136 H TYR 25 H TYR 25 51.804 44.268 4.192 137 HA TYR 25 HA TYR 25 51.578 41.542 3.802 138 HB3 TYR 25 HB2 TYR 25 54.112 41.818 4.876 139 HD1 TYR 25 HD1 TYR 25 52.132 42.824 1.886 140 HD2 TYR 25 HD2 TYR 25 55.666 40.968 3.359 141 HE1 TYR 25 HE1 TYR 25 52.699 42.107 -0.397 142 HE2 TYR 25 HE2 TYR 25 56.244 40.249 1.079 143 HH TYR 25 HH TYR 25 54.357 41.278 -1.708 144 H ALA 26 H ALA 26 51.732 43.338 6.774 145 HA ALA 26 HA ALA 26 52.565 41.445 8.596 146 HB1 ALA 26 HB1 ALA 26 51.924 42.934 10.141 147 HB2 ALA 26 HB2 ALA 26 51.542 43.969 8.765 148 HB3 ALA 26 HB3 ALA 26 50.274 43.008 9.525 149 H GLU 27 H GLU 27 49.277 41.955 7.342 150 HA GLU 27 HA GLU 27 48.202 39.738 8.816 151 HB3 GLU 27 HB2 GLU 27 46.624 40.618 6.526 152 HG3 GLU 27 HG2 GLU 27 46.258 40.439 9.479 153 H GLN 28 H GLN 28 49.296 40.314 5.519 154 HA GLN 28 HA GLN 28 48.353 38.021 4.277 155 HB3 GLN 28 HB2 GLN 28 50.158 38.319 2.663 156 HG3 GLN 28 HG2 GLN 28 49.418 41.085 3.550 157 HE21 GLN 28 HE21 GLN 28 48.320 41.918 1.265 158 HE22 GLN 28 HE22 GLN 28 49.455 41.849 -0.034 159 H GLY 29 H GLY 29 51.486 38.491 5.915 160 HA2 GLY 29 HA2 GLY 29 52.432 35.873 5.565 161 HA3 GLY 29 HA3 GLY 29 52.957 36.984 6.822 162 H LYS 30 H LYS 30 50.847 37.312 8.415 163 HA LYS 30 HA LYS 30 50.814 35.105 10.058 164 HB3 LYS 30 HB2 LYS 30 48.823 36.101 11.126 165 HG3 LYS 30 HG2 LYS 30 51.050 37.932 10.330 166 HD3 LYS 30 HD2 LYS 30 48.593 38.946 10.922 167 HE3 LYS 30 HE2 LYS 30 49.233 37.828 13.294 168 HZ1 LYS 30 HZ1 LYS 30 51.013 39.908 13.138 169 HZ2 LYS 30 HZ2 LYS 30 50.574 39.061 14.535 170 HZ3 LYS 30 HZ3 LYS 30 49.773 40.495 14.128 171 H GLU 31 H GLU 31 48.248 36.063 7.773 172 HA GLU 31 HA GLU 31 46.629 33.807 8.170 173 HB3 GLU 31 HB2 GLU 31 46.875 35.869 6.025 174 HG3 GLU 31 HG2 GLU 31 46.407 33.861 4.742 175 H TYR 32 H TYR 32 49.474 34.305 6.235 176 HA TYR 32 HA TYR 32 49.195 32.171 4.433 177 HB3 TYR 32 HB2 TYR 32 51.774 33.267 5.570 178 HD1 TYR 32 HD2 TYR 32 52.735 30.960 5.242 179 HD2 TYR 32 HD1 TYR 32 51.115 33.232 2.031 180 HE1 TYR 32 HE2 TYR 32 53.930 29.531 3.636 181 HE2 TYR 32 HE1 TYR 32 52.303 31.808 0.415 182 HH TYR 32 HH TYR 32 54.196 30.325 0.312 183 H ILE 33 H ILE 33 50.980 32.325 7.515 184 HA ILE 33 HA ILE 33 51.836 29.686 7.602 185 HB ILE 33 HB ILE 33 51.008 31.288 10.020 186 HG13 ILE 33 HG12 ILE 33 53.041 31.839 8.045 187 HG21 ILE 33 HG21 ILE 33 51.512 29.049 10.616 188 HG22 ILE 33 HG22 ILE 33 52.942 29.026 9.584 189 HG23 ILE 33 HG23 ILE 33 52.924 30.015 11.043 190 HD11 ILE 33 HD11 ILE 33 53.152 33.931 9.004 191 HD12 ILE 33 HD12 ILE 33 51.500 33.431 9.370 192 HD13 ILE 33 HD13 ILE 33 52.748 33.330 10.612 193 H THR 34 H THR 34 48.936 31.074 9.145 194 HA THR 34 HA THR 34 47.856 28.806 10.247 195 HB THR 34 HB THR 34 45.624 29.855 9.959 196 HG1 THR 34 HG1 THR 34 47.108 31.469 8.192 197 HG21 THR 34 HG21 THR 34 47.156 30.528 11.793 198 HG22 THR 34 HG22 THR 34 46.069 31.824 11.291 199 HG23 THR 34 HG23 THR 34 47.754 31.835 10.771 200 H ASP 35 H ASP 35 47.342 30.008 6.936 201 HA ASP 35 HA ASP 35 45.601 28.029 6.054 202 HB3 ASP 35 HB2 ASP 35 47.595 28.935 4.077 203 H LYS 36 H LYS 36 49.102 28.009 6.329 204 HA LYS 36 HA LYS 36 49.494 25.576 4.896 205 HB3 LYS 36 HB2 LYS 36 51.764 25.630 5.937 206 HG3 LYS 36 HG2 LYS 36 52.203 28.165 5.201 207 HD3 LYS 36 HD2 LYS 36 52.007 27.152 2.759 208 HE3 LYS 36 HE2 LYS 36 53.909 26.338 4.941 209 HZ1 LYS 36 HZ1 LYS 36 54.728 24.787 3.610 210 HZ2 LYS 36 HZ2 LYS 36 55.133 25.993 2.496 211 HZ3 LYS 36 HZ3 LYS 36 53.655 25.184 2.363 212 H ALA 37 H ALA 37 49.208 26.402 8.329 213 HA ALA 37 HA ALA 37 49.694 23.798 9.318 214 HB1 ALA 37 HB1 ALA 37 49.660 26.102 10.538 215 HB2 ALA 37 HB2 ALA 37 47.954 25.731 10.784 216 HB3 ALA 37 HB3 ALA 37 49.191 24.638 11.404 217 H ASP 38 H ASP 38 46.876 25.354 8.014 218 HA ASP 38 HA ASP 38 44.985 23.472 9.067 219 HB3 ASP 38 HB2 ASP 38 44.196 24.923 6.642 220 H LYS 39 H LYS 39 46.664 23.914 5.987 221 HA LYS 39 HA LYS 39 45.346 21.810 4.620 222 HB3 LYS 39 HB2 LYS 39 47.765 22.015 3.361 223 HG3 LYS 39 HG2 LYS 39 46.317 24.276 2.509 224 HD3 LYS 39 HD2 LYS 39 46.133 21.458 1.455 225 HE3 LYS 39 HE2 LYS 39 46.219 24.020 -0.107 226 HZ1 LYS 39 HZ1 LYS 39 46.537 21.755 -1.150 227 HZ2 LYS 39 HZ2 LYS 39 45.332 22.731 -1.828 228 HZ3 LYS 39 HZ3 LYS 39 44.908 21.459 -0.797 229 H VAL 40 H VAL 40 48.590 21.985 6.091 230 HA VAL 40 HA VAL 40 49.371 19.361 5.653 231 HB VAL 40 HB VAL 40 50.924 21.037 6.488 232 HG11 VAL 40 HG11 VAL 40 50.678 22.224 8.389 233 HG12 VAL 40 HG12 VAL 40 48.979 21.788 8.203 234 HG13 VAL 40 HG13 VAL 40 50.017 20.856 9.284 235 HG21 VAL 40 HG21 VAL 40 50.597 18.699 8.366 236 HG22 VAL 40 HG22 VAL 40 51.501 18.714 6.852 237 HG23 VAL 40 HG23 VAL 40 52.051 19.686 8.217 238 H ALA 41 H ALA 41 47.362 20.708 8.212 239 HA ALA 41 HA ALA 41 47.240 18.270 9.719 240 HB1 ALA 41 HB1 ALA 41 46.963 20.509 10.739 241 HB2 ALA 41 HB2 ALA 41 45.426 20.673 9.889 242 HB3 ALA 41 HB3 ALA 41 45.632 19.410 11.102 243 H GLY 42 H GLY 42 44.859 20.050 7.738 244 HA2 GLY 42 HA2 GLY 42 42.808 18.163 7.867 245 HA3 GLY 42 HA3 GLY 42 43.029 19.319 6.562 246 H LYS 43 H LYS 43 45.618 18.302 5.760 247 HA LYS 43 HA LYS 43 44.813 16.405 3.862 248 HB3 LYS 43 HB2 LYS 43 47.525 16.045 4.008 249 HG3 LYS 43 HG2 LYS 43 47.756 17.808 2.333 250 HD3 LYS 43 HD2 LYS 43 45.283 16.894 1.268 251 HE3 LYS 43 HE2 LYS 43 47.789 15.384 0.796 252 HZ1 LYS 43 HZ1 LYS 43 45.459 16.201 -0.656 253 HZ2 LYS 43 HZ2 LYS 43 46.530 14.929 -0.965 254 HZ3 LYS 43 HZ3 LYS 43 46.888 16.488 -1.518 255 H VAL 44 H VAL 44 45.758 16.047 7.140 256 HA VAL 44 HA VAL 44 46.680 13.354 7.015 257 HB VAL 44 HB VAL 44 45.494 14.757 9.412 258 HG11 VAL 44 HG11 VAL 44 46.991 13.226 10.661 259 HG12 VAL 44 HG12 VAL 44 45.744 12.383 9.740 260 HG13 VAL 44 HG13 VAL 44 47.401 12.436 9.138 261 HG21 VAL 44 HG21 VAL 44 47.739 15.485 9.961 262 HG22 VAL 44 HG22 VAL 44 48.371 14.726 8.499 263 HG23 VAL 44 HG23 VAL 44 47.279 16.106 8.376 264 H GLN 45 H GLN 45 45.600 11.465 7.167 265 HA GLN 45 HA GLN 45 42.664 11.615 7.348 266 HB3 GLN 45 HB2 GLN 45 43.099 9.198 6.211 267 HG3 GLN 45 HG2 GLN 45 41.844 11.390 5.393 268 HE21 GLN 45 HE21 GLN 45 41.720 12.354 3.146 269 HE22 GLN 45 HE22 GLN 45 43.177 13.038 2.521 270 HA PRO 46 HA PRO 46 44.132 9.292 11.082 271 HB3 PRO 46 HB2 PRO 46 43.995 11.178 12.388 272 HG3 PRO 46 HG2 PRO 46 42.629 12.959 11.782 273 HD3 PRO 46 HD2 PRO 46 43.764 12.638 9.801 274 H GLU 47 H GLU 47 42.266 8.597 12.930 275 HA GLU 47 HA GLU 47 40.873 6.506 11.705 276 HB3 GLU 47 HB2 GLU 47 39.757 6.208 13.872 277 HG3 GLU 47 HG2 GLU 47 42.621 6.436 13.583 278 H ASP 48 H ASP 48 40.041 9.817 12.139 279 HA ASP 48 HA ASP 48 38.244 11.057 11.499 280 HB3 ASP 48 HB2 ASP 48 36.748 9.071 10.021 281 H ASN 49 H ASN 49 38.160 9.332 13.893 282 HA ASN 49 HA ASN 49 36.707 8.645 15.508 283 HB3 ASN 49 HB2 ASN 49 34.414 10.192 14.549 284 HD21 ASN 49 HD21 ASN 49 33.325 10.956 16.253 285 HD22 ASN 49 HD22 ASN 49 33.882 10.896 17.887 286 H LYS 50 H LYS 50 34.040 8.191 15.664 287 HA LYS 50 HA LYS 50 33.390 6.412 13.419 288 HB3 LYS 50 HB2 LYS 50 32.545 5.316 15.976 289 HG3 LYS 50 HG2 LYS 50 32.658 4.082 13.808 290 HD3 LYS 50 HD2 LYS 50 34.867 4.953 13.093 291 HE3 LYS 50 HE2 LYS 50 36.574 3.118 14.375 292 HZ1 LYS 50 HZ1 LYS 50 37.826 4.982 14.829 293 HZ2 LYS 50 HZ2 LYS 50 36.481 5.977 15.076 294 HZ3 LYS 50 HZ3 LYS 50 36.906 5.505 13.508 295 H GLY 51 H GLY 51 31.044 5.350 14.347 296 HA2 GLY 51 HA2 GLY 51 29.116 6.560 15.649 297 HA3 GLY 51 HA3 GLY 51 29.336 7.730 14.357 298 H VAL 52 H VAL 52 27.413 5.311 15.305 299 HA VAL 52 HA VAL 52 27.120 3.638 13.081 300 HB VAL 52 HB VAL 52 24.944 4.528 14.977 301 HG11 VAL 52 HG11 VAL 52 23.875 2.412 14.395 302 HG12 VAL 52 HG12 VAL 52 24.103 3.421 12.965 303 HG13 VAL 52 HG13 VAL 52 25.180 2.057 13.265 304 HG21 VAL 52 HG21 VAL 52 26.818 2.172 15.183 305 HG22 VAL 52 HG22 VAL 52 26.903 3.638 16.161 306 HG23 VAL 52 HG23 VAL 52 25.508 2.566 16.298 307 H PHE 53 H PHE 53 26.139 6.912 13.609 308 HA PHE 53 HA PHE 53 24.512 6.859 11.159 309 HB3 PHE 53 HB2 PHE 53 24.369 9.373 12.544 310 HD1 PHE 53 HD2 PHE 53 22.581 6.102 12.338 311 HD2 PHE 53 HD1 PHE 53 22.412 10.325 11.838 312 HE1 PHE 53 HE2 PHE 53 20.266 5.910 11.527 313 HE2 PHE 53 HE1 PHE 53 20.097 10.141 11.027 314 HZ PHE 53 HZ PHE 53 19.020 7.931 10.869 315 H GLN 54 H GLN 54 26.902 8.891 12.847 316 HA GLN 54 HA GLN 54 27.435 10.632 10.728 317 HB3 GLN 54 HB2 GLN 54 29.840 10.406 12.104 318 HG3 GLN 54 HG2 GLN 54 28.138 12.119 13.593 319 HE21 GLN 54 HE21 GLN 54 29.766 13.286 14.319 320 HE22 GLN 54 HE22 GLN 54 30.996 14.024 13.356 321 H GLY 55 H GLY 55 28.476 7.378 11.313 322 HA2 GLY 55 HA2 GLY 55 30.756 7.385 9.612 323 HA3 GLY 55 HA3 GLY 55 29.879 5.965 10.158 324 H VAL 56 H VAL 56 27.379 7.296 8.976 325 HA VAL 56 HA VAL 56 27.331 5.872 6.563 326 HB VAL 56 HB VAL 56 25.572 8.183 7.400 327 HG11 VAL 56 HG11 VAL 56 24.062 6.542 5.820 328 HG12 VAL 56 HG12 VAL 56 24.836 8.036 5.288 329 HG13 VAL 56 HG13 VAL 56 25.632 6.485 5.020 330 HG21 VAL 56 HG21 VAL 56 25.581 6.328 9.007 331 HG22 VAL 56 HG22 VAL 56 24.027 6.475 8.186 332 HG23 VAL 56 HG23 VAL 56 25.159 5.210 7.710 333 H HIS 57 H HIS 57 28.291 9.141 7.305 334 HA HIS 57 HA HIS 57 28.434 9.874 4.488 335 HB3 HIS 57 HB2 HIS 57 29.356 11.557 6.813 336 HD1 HIS 57 HD1 HIS 57 30.506 13.487 5.802 337 HD2 HIS 57 HD2 HIS 57 27.363 12.160 3.430 338 HE1 HIS 57 HE1 HIS 57 30.428 15.064 3.845 339 H ASP 58 H ASP 58 30.628 9.563 7.270 340 HA ASP 58 HA ASP 58 33.005 10.113 5.881 341 HB3 ASP 58 HB2 ASP 58 33.438 8.200 7.999 342 H SER 59 H SER 59 31.031 7.278 6.029 343 HA SER 59 HA SER 59 32.867 5.283 5.395 344 HB3 SER 59 HB2 SER 59 30.634 4.469 4.046 345 HG SER 59 HG SER 59 30.077 3.479 6.022 346 H ALA 60 H ALA 60 31.580 7.833 3.453 347 HA ALA 60 HA ALA 60 31.814 6.861 0.883 348 HB1 ALA 60 HB1 ALA 60 32.041 9.135 0.153 349 HB2 ALA 60 HB2 ALA 60 30.927 9.094 1.520 350 HB3 ALA 60 HB3 ALA 60 32.588 9.642 1.752 351 H GLU 61 H GLU 61 34.326 7.774 3.124 352 HA GLU 61 HA GLU 61 36.331 6.985 1.115 353 HB3 GLU 61 HB2 GLU 61 36.624 9.321 1.324 354 HG3 GLU 61 HG2 GLU 61 36.684 9.066 4.319 355 H LYS 62 H LYS 62 35.724 7.391 4.595 356 HA LYS 62 HA LYS 62 37.861 5.677 5.384 357 HB3 LYS 62 HB2 LYS 62 35.491 6.228 7.132 358 HG3 LYS 62 HG2 LYS 62 37.517 4.948 7.935 359 HD3 LYS 62 HD2 LYS 62 38.967 7.396 8.524 360 HE3 LYS 62 HE2 LYS 62 39.514 4.754 8.528 361 HZ1 LYS 62 HZ1 LYS 62 41.423 5.002 6.624 362 HZ2 LYS 62 HZ2 LYS 62 40.069 5.678 5.867 363 HZ3 LYS 62 HZ3 LYS 62 40.000 4.099 6.469 364 H GLY 63 H GLY 63 37.633 3.625 6.494 365 HA2 GLY 63 HA2 GLY 63 36.003 1.802 5.046 366 HA3 GLY 63 HA3 GLY 63 36.986 1.419 6.452 367 H LYS 64 H LYS 64 35.753 3.222 8.269 368 HA LYS 64 HA LYS 64 34.035 3.319 9.759 369 HB3 LYS 64 HB2 LYS 64 31.871 2.307 8.141 370 HG3 LYS 64 HG2 LYS 64 31.767 4.060 9.953 371 HD3 LYS 64 HD2 LYS 64 32.012 6.341 8.339 372 HE3 LYS 64 HE2 LYS 64 32.599 5.621 10.883 373 HZ1 LYS 64 HZ1 LYS 64 34.686 4.833 10.875 374 HZ2 LYS 64 HZ2 LYS 64 35.126 6.462 10.770 375 HZ3 LYS 64 HZ3 LYS 64 35.070 5.510 9.374 376 H ASP 65 H ASP 65 31.846 1.803 10.271 377 HA ASP 65 HA ASP 65 31.160 -0.158 11.197 378 HB3 ASP 65 HB2 ASP 65 31.633 -2.206 10.055 379 H ASN 66 H ASN 66 33.504 1.287 12.226 380 HA ASN 66 HA ASN 66 34.946 1.067 13.976 381 HB3 ASN 66 HB2 ASN 66 34.826 -1.679 14.663 382 HD21 ASN 66 HD21 ASN 66 35.958 0.103 16.040 383 HD22 ASN 66 HD22 ASN 66 35.028 0.669 17.381 384 H ALA 67 H ALA 67 35.144 -2.239 12.688 385 HA ALA 67 HA ALA 67 36.903 -3.449 11.890 386 HB1 ALA 67 HB1 ALA 67 38.235 -2.404 10.151 387 HB2 ALA 67 HB2 ALA 67 36.539 -1.952 9.978 388 HB3 ALA 67 HB3 ALA 67 37.690 -0.807 10.667 389 H GLU 68 H GLU 68 37.195 -2.090 14.498 390 HA GLU 68 HA GLU 68 39.847 -2.795 15.065 391 HB3 GLU 68 HB2 GLU 68 39.654 0.145 15.408 392 HG3 GLU 68 HG2 GLU 68 41.850 -1.756 14.641 393 H GLY 69 H GLY 69 37.481 -3.422 16.246 394 HA2 GLY 69 HA2 GLY 69 37.104 -3.776 18.578 395 HA3 GLY 69 HA3 GLY 69 37.820 -2.203 18.899 396 H GLN 70 H GLN 70 36.222 -1.177 19.966 397 HA GLN 70 HA GLN 70 33.779 -0.624 18.456 398 HB3 GLN 70 HB2 GLN 70 33.820 -1.571 21.327 399 HG3 GLN 70 HG2 GLN 70 31.536 -0.606 19.627 400 HE21 GLN 70 HE21 GLN 70 29.570 -0.396 21.198 401 HE22 GLN 70 HE22 GLN 70 29.153 -1.856 22.023 402 H GLY 71 H GLY 71 34.803 0.050 21.798 403 HA2 GLY 71 HA2 GLY 71 35.471 2.051 22.764 404 HA3 GLY 71 HA3 GLY 71 35.422 2.800 21.175 405 H GLU 72 H GLU 72 34.498 4.112 23.434 406 HA GLU 72 HA GLU 72 31.681 3.828 23.758 407 HB3 GLU 72 HB2 GLU 72 32.217 6.374 24.604 408 HG3 GLU 72 HG2 GLU 72 32.999 4.024 26.290 409 H SER 73 H SER 73 30.132 5.606 23.295 410 HA SER 73 HA SER 73 30.583 7.592 21.380 411 HB3 SER 73 HB2 SER 73 30.802 6.319 19.522 412 HG SER 73 HG SER 73 29.884 4.111 19.492 413 H LEU 74 H LEU 74 29.199 8.838 22.542 414 HA LEU 74 HA LEU 74 26.785 8.096 23.682 415 HB3 LEU 74 HB2 LEU 74 27.642 10.765 22.575 416 HG LEU 74 HG LEU 74 25.208 10.810 22.942 417 HD11 LEU 74 HD11 LEU 74 26.005 9.795 25.650 418 HD12 LEU 74 HD12 LEU 74 24.782 9.167 24.545 419 HD13 LEU 74 HD13 LEU 74 24.502 10.684 25.400 420 HD21 LEU 74 HD21 LEU 74 25.346 12.597 24.854 421 HD22 LEU 74 HD22 LEU 74 26.091 12.901 23.284 422 HD23 LEU 74 HD23 LEU 74 27.085 12.380 24.646 423 H ALA 75 H ALA 75 27.544 8.829 20.376 424 HA ALA 75 HA ALA 75 25.086 9.519 19.322 425 HB1 ALA 75 HB1 ALA 75 26.177 7.868 17.393 426 HB2 ALA 75 HB2 ALA 75 26.470 9.598 17.578 427 HB3 ALA 75 HB3 ALA 75 27.577 8.434 18.304 428 H ASP 76 H ASP 76 26.220 6.409 20.422 429 HA ASP 76 HA ASP 76 24.160 4.867 19.184 430 HB3 ASP 76 HB2 ASP 76 25.526 3.919 21.663 431 H GLN 77 H GLN 77 24.541 6.485 22.275 432 HA GLN 77 HA GLN 77 22.203 5.319 23.454 433 HB3 GLN 77 HB2 GLN 77 22.713 7.641 24.866 434 HG3 GLN 77 HG2 GLN 77 24.480 5.799 25.950 435 HE21 GLN 77 HE21 GLN 77 22.324 4.127 27.108 436 HE22 GLN 77 HE22 GLN 77 21.472 5.171 28.189 437 H ALA 78 H ALA 78 22.941 8.259 21.683 438 HA ALA 78 HA ALA 78 20.440 9.537 22.190 439 HB1 ALA 78 HB1 ALA 78 21.808 11.182 21.528 440 HB2 ALA 78 HB2 ALA 78 22.844 10.086 20.613 441 HB3 ALA 78 HB3 ALA 78 21.352 10.697 19.896 442 H ARG 79 H ARG 79 21.683 7.420 19.670 443 HA ARG 79 HA ARG 79 19.437 7.735 17.931 444 HB3 ARG 79 HB2 ARG 79 21.676 5.722 18.060 445 HG3 ARG 79 HG2 ARG 79 19.205 5.493 16.597 446 HD3 ARG 79 HD2 ARG 79 21.622 6.214 15.092 447 HE ARG 79 HE ARG 79 21.782 4.173 14.080 448 HH11 ARG 79 HH11 ARG 79 18.421 4.884 14.650 449 HH12 ARG 79 HH12 ARG 79 17.846 3.498 13.783 450 HH21 ARG 79 HH21 ARG 79 21.037 2.347 12.936 451 HH22 ARG 79 HH22 ARG 79 19.335 2.056 12.810 452 H ASP 80 H ASP 80 20.461 5.220 20.223 453 HA ASP 80 HA ASP 80 18.332 3.453 19.814 454 HB3 ASP 80 HB2 ASP 80 19.472 3.765 22.556 455 H TYR 81 H TYR 81 18.657 6.188 22.037 456 HA TYR 81 HA TYR 81 16.155 5.795 23.320 457 HB3 TYR 81 HB2 TYR 81 17.626 8.420 23.090 458 HD1 TYR 81 HD2 TYR 81 15.548 6.153 25.193 459 HD2 TYR 81 HD1 TYR 81 16.865 10.134 24.473 460 HE1 TYR 81 HE2 TYR 81 13.966 6.976 26.886 461 HE2 TYR 81 HE1 TYR 81 15.287 10.968 26.165 462 HH TYR 81 HH TYR 81 12.838 8.972 27.536 463 H MET 82 H MET 82 17.223 7.878 20.658 464 HA MET 82 HA MET 82 14.789 9.231 20.277 465 HB3 MET 82 HB2 MET 82 15.815 9.307 17.804 466 HG3 MET 82 HG2 MET 82 17.567 11.005 18.850 467 HE1 MET 82 HE1 MET 82 13.521 11.601 19.923 468 HE2 MET 82 HE2 MET 82 14.961 12.098 20.812 469 HE3 MET 82 HE3 MET 82 14.051 13.283 19.872 470 H GLY 83 H GLY 83 16.149 6.460 18.481 471 HA2 GLY 83 HA2 GLY 83 13.968 5.986 16.819 472 HA3 GLY 83 HA3 GLY 83 15.121 4.761 17.329 473 H ALA 84 H ALA 84 14.490 5.013 20.153 474 HA ALA 84 HA ALA 84 12.528 3.055 20.395 475 HB1 ALA 84 HB1 ALA 84 13.224 5.045 22.544 476 HB2 ALA 84 HB2 ALA 84 12.642 3.392 22.743 477 HB3 ALA 84 HB3 ALA 84 14.259 3.687 22.104 478 H ALA 85 H ALA 85 12.259 6.568 20.900 479 HA ALA 85 HA ALA 85 9.573 6.647 21.647 480 HB1 ALA 85 HB1 ALA 85 9.968 8.995 20.244 481 HB2 ALA 85 HB2 ALA 85 10.285 8.735 21.960 482 HB3 ALA 85 HB3 ALA 85 11.587 8.551 20.785 483 H LYS 86 H LYS 86 11.057 6.711 18.437 484 HA LYS 86 HA LYS 86 8.864 7.307 16.873 485 HB3 LYS 86 HB2 LYS 86 9.992 6.142 15.060 486 HG3 LYS 86 HG2 LYS 86 12.190 7.127 15.115 487 HD3 LYS 86 HD2 LYS 86 11.007 9.284 16.607 488 HE3 LYS 86 HE2 LYS 86 11.673 8.675 13.756 489 HZ1 LYS 86 HZ1 LYS 86 10.193 10.132 13.027 490 HZ2 LYS 86 HZ2 LYS 86 10.993 11.340 13.900 491 HZ3 LYS 86 HZ3 LYS 86 9.688 10.518 14.596 492 H SER 87 H SER 87 9.982 4.041 17.772 493 HA SER 87 HA SER 87 7.880 2.614 16.641 494 HB3 SER 87 HB2 SER 87 9.141 1.730 19.221 495 HG SER 87 HG SER 87 7.943 0.134 18.421 496 H LYS 88 H LYS 88 8.197 3.914 19.929 497 HA LYS 88 HA LYS 88 5.761 2.944 20.927 498 HB3 LYS 88 HB2 LYS 88 5.994 4.862 22.579 499 HG3 LYS 88 HG2 LYS 88 8.157 4.065 23.552 500 HD3 LYS 88 HD2 LYS 88 7.231 1.510 23.374 501 HE3 LYS 88 HE2 LYS 88 5.530 3.264 25.005 502 HZ1 LYS 88 HZ1 LYS 88 5.604 1.095 25.732 503 HZ2 LYS 88 HZ2 LYS 88 6.742 1.827 26.747 504 HZ3 LYS 88 HZ3 LYS 88 7.256 0.916 25.417 505 H LEU 89 H LEU 89 6.558 5.840 19.104 506 HA LEU 89 HA LEU 89 4.160 7.245 19.457 507 HB3 LEU 89 HB2 LEU 89 5.290 7.528 16.795 508 HG LEU 89 HG LEU 89 4.752 9.331 19.088 509 HD11 LEU 89 HD11 LEU 89 7.240 9.502 18.154 510 HD12 LEU 89 HD12 LEU 89 6.298 10.920 18.615 511 HD13 LEU 89 HD13 LEU 89 6.421 10.457 16.918 512 HD21 LEU 89 HD21 LEU 89 3.217 10.101 17.681 513 HD22 LEU 89 HD22 LEU 89 3.670 8.818 16.558 514 HD23 LEU 89 HD23 LEU 89 4.433 10.406 16.440 515 H ASN 90 H ASN 90 5.138 5.140 16.747 516 HA ASN 90 HA ASN 90 2.704 5.195 15.382 517 HB3 ASN 90 HB2 ASN 90 4.139 2.633 15.241 518 HD21 ASN 90 HD21 ASN 90 3.906 1.811 13.261 519 HD22 ASN 90 HD22 ASN 90 3.248 2.658 11.908 520 H ASP 91 H ASP 91 3.694 3.416 18.193 521 HA ASP 91 HA ASP 91 1.587 1.476 18.083 522 HB3 ASP 91 HB2 ASP 91 2.565 1.847 20.752 523 H ALA 92 H ALA 92 2.078 4.583 19.666 524 HA ALA 92 HA ALA 92 -0.380 4.435 21.157 525 HB1 ALA 92 HB1 ALA 92 1.945 5.994 21.271 526 HB2 ALA 92 HB2 ALA 92 0.627 7.112 20.914 527 HB3 ALA 92 HB3 ALA 92 0.542 6.073 22.337 528 H VAL 93 H VAL 93 0.771 6.289 18.347 529 HA VAL 93 HA VAL 93 -1.473 7.802 17.825 530 HB VAL 93 HB VAL 93 0.291 6.508 15.741 531 HG11 VAL 93 HG11 VAL 93 -0.383 8.288 14.286 532 HG12 VAL 93 HG12 VAL 93 -1.838 7.521 14.926 533 HG13 VAL 93 HG13 VAL 93 -1.295 9.067 15.581 534 HG21 VAL 93 HG21 VAL 93 1.953 7.804 16.436 535 HG22 VAL 93 HG22 VAL 93 0.943 9.235 16.233 536 HG23 VAL 93 HG23 VAL 93 0.948 8.372 17.770 537 H GLU 94 H GLU 94 -0.725 4.599 16.439 538 HA GLU 94 HA GLU 94 -3.014 4.202 14.971 539 HB3 GLU 94 HB2 GLU 94 -2.375 1.727 16.237 540 HG3 GLU 94 HG2 GLU 94 -0.936 1.836 13.866 541 H TYR 95 H TYR 95 -2.543 3.804 18.434 542 HA TYR 95 HA TYR 95 -5.120 2.633 18.888 543 HB3 TYR 95 HB2 TYR 95 -3.272 3.947 20.890 544 HD1 TYR 95 HD1 TYR 95 -5.399 4.692 22.059 545 HD2 TYR 95 HD2 TYR 95 -4.447 0.597 21.396 546 HE1 TYR 95 HE1 TYR 95 -7.002 4.042 23.807 547 HE2 TYR 95 HE2 TYR 95 -6.049 -0.064 23.141 548 HH TYR 95 HH TYR 95 -8.217 1.052 24.169 549 H VAL 96 H VAL 96 -3.726 5.867 19.169 550 HA VAL 96 HA VAL 96 -5.956 7.109 20.371 551 HB VAL 96 HB VAL 96 -3.919 8.404 18.558 552 HG11 VAL 96 HG11 VAL 96 -4.502 10.452 19.578 553 HG12 VAL 96 HG12 VAL 96 -6.030 9.670 19.169 554 HG13 VAL 96 HG13 VAL 96 -5.443 9.648 20.833 555 HG21 VAL 96 HG21 VAL 96 -3.631 7.206 21.168 556 HG22 VAL 96 HG22 VAL 96 -2.400 7.869 20.095 557 HG23 VAL 96 HG23 VAL 96 -3.258 8.929 21.212 558 H SER 97 H SER 97 -4.913 6.982 16.967 559 HA SER 97 HA SER 97 -7.055 8.423 15.894 560 HB3 SER 97 HB2 SER 97 -6.184 6.351 14.080 561 HG SER 97 HG SER 97 -5.253 8.285 13.078 562 H GLY 98 H GLY 98 -6.780 5.075 16.855 563 HA2 GLY 98 HA2 GLY 98 -9.205 4.244 15.539 564 HA3 GLY 98 HA3 GLY 98 -8.263 3.304 16.688 565 H ARG 99 H ARG 99 -8.412 5.677 18.580 566 HA ARG 99 HA ARG 99 -10.915 4.867 19.816 567 HB3 ARG 99 HB2 ARG 99 -9.812 6.740 21.490 568 HG3 ARG 99 HG2 ARG 99 -8.513 4.554 22.367 569 HD3 ARG 99 HD2 ARG 99 -11.478 4.537 22.630 570 HE ARG 99 HE ARG 99 -9.336 3.668 24.234 571 HH11 ARG 99 HH11 ARG 99 -12.418 5.267 24.482 572 HH12 ARG 99 HH12 ARG 99 -12.723 4.713 26.095 573 HH21 ARG 99 HH21 ARG 99 -9.727 2.932 26.357 574 HH22 ARG 99 HH22 ARG 99 -11.191 3.385 27.161 575 H VAL 100 H VAL 100 -9.336 7.881 18.782 576 HA VAL 100 HA VAL 100 -11.293 9.700 19.464 577 HB VAL 100 HB VAL 100 -9.543 9.732 17.000 578 HG11 VAL 100 HG11 VAL 100 -11.658 11.478 17.809 579 HG12 VAL 100 HG12 VAL 100 -10.122 12.340 17.892 580 HG13 VAL 100 HG13 VAL 100 -10.623 11.572 16.386 581 HG21 VAL 100 HG21 VAL 100 -7.850 10.452 18.280 582 HG22 VAL 100 HG22 VAL 100 -8.897 11.498 19.238 583 HG23 VAL 100 HG23 VAL 100 -8.771 9.783 19.627 584 H HIS 101 H HIS 101 -11.147 7.563 16.669 585 HA HIS 101 HA HIS 101 -12.706 6.945 15.133 586 HB3 HIS 101 HB2 HIS 101 -14.781 8.240 16.899 587 HD1 HIS 101 HD1 HIS 101 -14.100 5.297 14.589 588 HD2 HIS 101 HD2 HIS 101 -17.255 7.600 16.003 589 HE1 HIS 101 HE1 HIS 101 -16.130 4.492 13.343 590 H GLY 102 H GLY 102 -14.290 7.802 13.538 591 HA2 GLY 102 HA2 GLY 102 -15.379 9.998 12.862 592 HA3 GLY 102 HA3 GLY 102 -13.772 10.672 13.084 593 H GLU 103 H GLU 103 -15.813 8.703 11.065 594 HA GLU 103 HA GLU 103 -14.403 9.348 8.718 595 HB3 GLU 103 HB2 GLU 103 -14.121 6.433 9.089 596 HG3 GLU 103 HG2 GLU 103 -13.298 7.522 7.073 597 H GLU 104 H GLU 104 -15.344 8.391 6.804 598 HA GLU 104 HA GLU 104 -17.763 6.812 7.189 599 HB3 GLU 104 HB2 GLU 104 -18.936 8.482 5.581 600 HG3 GLU 104 HG2 GLU 104 -19.524 10.034 7.503 601 H ASP 105 H ASP 105 -18.823 6.579 4.843 602 HA ASP 105 HA ASP 105 -16.915 6.491 2.692 603 HB3 ASP 105 HB2 ASP 105 -17.423 3.925 2.441 604 HA PRO 106 HA PRO 106 -21.388 6.952 1.525 605 HB3 PRO 106 HB2 PRO 106 -21.281 9.240 1.711 606 HG3 PRO 106 HG2 PRO 106 -19.249 10.362 1.564 607 HD3 PRO 106 HD2 PRO 106 -18.702 8.747 3.116 608 H THR 107 H THR 107 -22.185 7.373 -0.849 609 HA THR 107 HA THR 107 -20.519 6.732 -3.026 610 HB THR 107 HB THR 107 -20.435 4.519 -1.892 611 HG1 THR 107 HG1 THR 107 -20.462 4.879 -4.292 612 HG21 THR 107 HG21 THR 107 -23.287 4.079 -2.676 613 HG22 THR 107 HG22 THR 107 -22.914 4.815 -1.118 614 HG23 THR 107 HG23 THR 107 -22.301 3.207 -1.503 615 H LYS 108 H LYS 108 -21.831 6.113 -4.996 616 HA LYS 108 HA LYS 108 -24.600 7.086 -4.794 617 HB3 LYS 108 HB2 LYS 108 -23.150 8.902 -5.631 618 HG3 LYS 108 HG2 LYS 108 -22.459 6.905 -7.757 619 HD3 LYS 108 HD2 LYS 108 -21.337 9.427 -8.356 620 HE3 LYS 108 HE2 LYS 108 -22.777 9.166 -10.422 621 HZ1 LYS 108 HZ1 LYS 108 -21.465 7.464 -11.275 622 HZ2 LYS 108 HZ2 LYS 108 -21.345 6.661 -9.791 623 HZ3 LYS 108 HZ3 LYS 108 -20.509 8.111 -10.037 624 H LYS 109 H LYS 109 -25.418 6.846 -7.353 625 HA LYS 109 HA LYS 109 -25.547 3.982 -7.672 626 HB3 LYS 109 HB2 LYS 109 -27.507 5.554 -7.954 627 HG3 LYS 109 HG2 LYS 109 -25.855 6.822 -9.813 628 HD3 LYS 109 HD2 LYS 109 -26.788 4.897 -11.313 629 HE3 LYS 109 HE2 LYS 109 -28.932 6.233 -12.367 630 HZ1 LYS 109 HZ1 LYS 109 -30.073 4.340 -11.891 631 HZ2 LYS 109 HZ2 LYS 109 -29.477 4.220 -10.313 632 HZ3 LYS 109 HZ3 LYS 109 -28.502 3.767 -11.622 Start of MODEL 16 1 H1 MET 1 H MET 1 15.319 2.891 12.418 2 HA MET 1 HA MET 1 14.594 3.673 14.620 3 HB3 MET 1 HB2 MET 1 13.583 2.006 16.147 4 HG3 MET 1 HG2 MET 1 12.289 3.297 14.067 5 HE1 MET 1 HE1 MET 1 9.679 2.944 13.571 6 HE2 MET 1 HE2 MET 1 9.087 1.507 12.736 7 HE3 MET 1 HE3 MET 1 9.127 1.550 14.499 8 H SER 2 H SER 2 16.977 2.651 13.337 9 HA SER 2 HA SER 2 18.650 2.362 15.558 10 HB3 SER 2 HB2 SER 2 17.882 0.165 15.940 11 HG SER 2 HG SER 2 18.128 -0.302 13.150 12 H ASP 3 H ASP 3 20.507 3.190 14.889 13 HA ASP 3 HA ASP 3 21.959 2.283 12.660 14 HB3 ASP 3 HB2 ASP 3 20.962 5.066 12.165 15 H ALA 4 H ALA 4 23.328 2.297 14.598 16 HA ALA 4 HA ALA 4 24.920 4.720 14.675 17 HB1 ALA 4 HB1 ALA 4 23.998 5.498 16.547 18 HB2 ALA 4 HB2 ALA 4 23.087 4.009 16.806 19 HB3 ALA 4 HB3 ALA 4 24.752 4.135 17.374 20 H GLY 5 H GLY 5 26.746 4.282 16.480 21 HA2 GLY 5 HA2 GLY 5 28.338 2.216 15.471 22 HA3 GLY 5 HA3 GLY 5 28.625 3.064 16.984 23 H ARG 6 H ARG 6 29.373 0.526 16.965 24 HA ARG 6 HA ARG 6 27.448 -0.725 18.767 25 HB3 ARG 6 HB2 ARG 6 27.499 -2.853 17.662 26 HG3 ARG 6 HG2 ARG 6 27.007 -0.660 15.665 27 HD3 ARG 6 HD2 ARG 6 25.709 -3.292 15.369 28 HE ARG 6 HE ARG 6 26.408 -1.104 13.632 29 HH11 ARG 6 HH11 ARG 6 25.442 -4.443 13.812 30 HH12 ARG 6 HH12 ARG 6 24.777 -4.473 12.212 31 HH21 ARG 6 HH21 ARG 6 25.535 -1.130 11.524 32 HH22 ARG 6 HH22 ARG 6 24.833 -2.589 10.912 33 H LYS 7 H LYS 7 28.461 -1.356 20.547 34 HA LYS 7 HA LYS 7 30.823 -2.851 20.637 35 HB3 LYS 7 HB2 LYS 7 32.049 -0.932 19.952 36 HG3 LYS 7 HG2 LYS 7 31.862 1.088 21.718 37 HD3 LYS 7 HD2 LYS 7 29.878 1.167 19.516 38 HE3 LYS 7 HE2 LYS 7 31.052 3.073 20.962 39 HZ1 LYS 7 HZ1 LYS 7 32.751 3.034 18.543 40 HZ2 LYS 7 HZ2 LYS 7 33.272 2.361 20.004 41 HZ3 LYS 7 HZ3 LYS 7 32.901 4.008 19.917 42 H GLY 8 H GLY 8 31.420 -3.440 22.771 43 HA2 GLY 8 HA2 GLY 8 31.138 -3.704 25.047 44 HA3 GLY 8 HA3 GLY 8 30.182 -2.231 25.055 45 H PHE 9 H PHE 9 27.938 -2.432 24.192 46 HA PHE 9 HA PHE 9 26.658 -4.676 25.449 47 HB3 PHE 9 HB2 PHE 9 24.871 -3.076 23.836 48 HD1 PHE 9 HD1 PHE 9 26.045 -2.442 27.294 49 HD2 PHE 9 HD2 PHE 9 23.035 -4.137 24.809 50 HE1 PHE 9 HE1 PHE 9 24.630 -2.820 29.271 51 HE2 PHE 9 HE2 PHE 9 21.614 -4.516 26.781 52 HZ PHE 9 HZ PHE 9 22.410 -3.857 29.017 53 H GLY 10 H GLY 10 27.606 -3.814 22.239 54 HA2 GLY 10 HA2 GLY 10 25.818 -5.297 20.698 55 HA3 GLY 10 HA3 GLY 10 27.480 -4.950 20.248 56 H GLU 11 H GLU 11 29.032 -6.339 21.850 57 HA GLU 11 HA GLU 11 28.948 -8.939 20.914 58 HB3 GLU 11 HB2 GLU 11 30.228 -8.958 23.464 59 HG3 GLU 11 HG2 GLU 11 31.987 -8.363 21.244 60 H LYS 12 H LYS 12 27.959 -7.765 24.127 61 HA LYS 12 HA LYS 12 27.072 -10.221 25.131 62 HB3 LYS 12 HB2 LYS 12 25.941 -8.960 26.834 63 HG3 LYS 12 HG2 LYS 12 27.596 -7.407 27.610 64 HD3 LYS 12 HD2 LYS 12 29.437 -9.224 26.216 65 HE3 LYS 12 HE2 LYS 12 28.841 -9.375 29.117 66 HZ1 LYS 12 HZ1 LYS 12 30.694 -10.580 28.084 67 HZ2 LYS 12 HZ2 LYS 12 31.224 -9.481 29.255 68 HZ3 LYS 12 HZ3 LYS 12 31.386 -9.110 27.612 69 H ALA 13 H ALA 13 25.316 -7.674 23.398 70 HA ALA 13 HA ALA 13 22.746 -8.676 23.547 71 HB1 ALA 13 HB1 ALA 13 22.768 -7.639 21.039 72 HB2 ALA 13 HB2 ALA 13 22.622 -6.684 22.515 73 HB3 ALA 13 HB3 ALA 13 24.195 -6.874 21.741 74 H SER 14 H SER 14 25.167 -9.335 21.014 75 HA SER 14 HA SER 14 23.604 -11.167 19.569 76 HB3 SER 14 HB2 SER 14 26.537 -11.598 19.588 77 HG SER 14 HG SER 14 24.881 -10.836 17.435 78 H GLU 15 H GLU 15 25.512 -11.508 22.450 79 HA GLU 15 HA GLU 15 25.639 -14.378 22.354 80 HB3 GLU 15 HB2 GLU 15 26.351 -14.050 24.804 81 HG3 GLU 15 HG2 GLU 15 28.305 -12.407 23.520 82 H ALA 16 H ALA 16 23.558 -11.962 23.810 83 HA ALA 16 HA ALA 16 22.158 -13.658 25.577 84 HB1 ALA 16 HB1 ALA 16 20.504 -11.900 25.697 85 HB2 ALA 16 HB2 ALA 16 22.121 -11.195 25.707 86 HB3 ALA 16 HB3 ALA 16 21.150 -11.153 24.236 87 H LEU 17 H LEU 17 21.212 -12.437 22.359 88 HA LEU 17 HA LEU 17 18.859 -13.892 22.095 89 HB3 LEU 17 HB2 LEU 17 19.517 -12.062 20.610 90 HG LEU 17 HG LEU 17 21.940 -13.094 20.240 91 HD11 LEU 17 HD11 LEU 17 22.194 -14.552 18.555 92 HD12 LEU 17 HD12 LEU 17 20.914 -13.819 17.589 93 HD13 LEU 17 HD13 LEU 17 20.507 -14.947 18.880 94 HD21 LEU 17 HD21 LEU 17 22.149 -11.650 18.279 95 HD22 LEU 17 HD22 LEU 17 21.205 -10.872 19.552 96 HD23 LEU 17 HD23 LEU 17 20.391 -11.567 18.148 97 H LYS 18 H LYS 18 22.181 -14.795 21.298 98 HA LYS 18 HA LYS 18 21.469 -17.314 20.146 99 HB3 LYS 18 HB2 LYS 18 24.128 -17.495 20.957 100 HG3 LYS 18 HG2 LYS 18 23.881 -16.125 18.422 101 HD3 LYS 18 HD2 LYS 18 24.385 -19.022 18.524 102 HE3 LYS 18 HE2 LYS 18 25.481 -16.586 17.248 103 HZ1 LYS 18 HZ1 LYS 18 27.587 -17.134 17.623 104 HZ2 LYS 18 HZ2 LYS 18 27.332 -18.504 16.664 105 HZ3 LYS 18 HZ3 LYS 18 27.176 -18.607 18.345 106 HA PRO 19 HA PRO 19 21.174 -19.917 23.665 107 HB3 PRO 19 HB2 PRO 19 20.860 -21.676 22.221 108 HG3 PRO 19 HG2 PRO 19 22.043 -21.815 20.224 109 HD3 PRO 19 HD2 PRO 19 21.267 -19.651 20.075 110 H ASP 20 H ASP 20 22.713 -21.701 24.843 111 HA ASP 20 HA ASP 20 25.407 -20.616 25.160 112 HB3 ASP 20 HB2 ASP 20 24.597 -19.410 26.926 113 H SER 21 H SER 21 26.602 -22.022 26.889 114 HA SER 21 HA SER 21 26.752 -24.631 25.896 115 HB3 SER 21 HB2 SER 21 27.808 -24.689 28.508 116 HG SER 21 HG SER 21 29.081 -23.994 26.066 117 H GLN 22 H GLN 22 24.950 -25.868 25.960 118 HA GLN 22 HA GLN 22 24.188 -27.005 28.475 119 HB3 GLN 22 HB2 GLN 22 21.732 -26.070 27.245 120 HG3 GLN 22 HG2 GLN 22 22.928 -26.202 29.934 121 HE21 GLN 22 HE21 GLN 22 23.363 -24.069 30.504 122 HE22 GLN 22 HE22 GLN 22 22.103 -22.933 30.836 123 H LYS 23 H LYS 23 21.841 -28.214 27.851 124 HA LYS 23 HA LYS 23 22.690 -30.188 25.948 125 HB3 LYS 23 HB2 LYS 23 20.713 -31.406 26.585 126 HG3 LYS 23 HG2 LYS 23 21.031 -30.315 29.245 127 HD3 LYS 23 HD2 LYS 23 20.644 -32.765 28.101 128 HE3 LYS 23 HE2 LYS 23 23.288 -33.101 29.407 129 HZ1 LYS 23 HZ1 LYS 23 23.403 -34.960 27.885 130 HZ2 LYS 23 HZ2 LYS 23 21.963 -34.483 27.136 131 HZ3 LYS 23 HZ3 LYS 23 21.947 -35.008 28.744 132 H SER 24 H SER 24 20.431 -31.007 24.677 133 HA SER 24 HA SER 24 19.091 -30.650 22.870 134 HB3 SER 24 HB2 SER 24 18.816 -27.837 22.714 135 HG SER 24 HG SER 24 16.722 -28.360 23.547 136 H TYR 25 H TYR 25 22.169 -29.935 23.074 137 HA TYR 25 HA TYR 25 22.852 -28.165 21.061 138 HB3 TYR 25 HB2 TYR 25 24.583 -30.510 21.089 139 HD1 TYR 25 HD2 TYR 25 24.381 -27.250 22.915 140 HD2 TYR 25 HD1 TYR 25 26.464 -29.646 20.081 141 HE1 TYR 25 HE2 TYR 25 26.073 -25.481 22.672 142 HE2 TYR 25 HE1 TYR 25 28.163 -27.885 19.832 143 HH TYR 25 HH TYR 25 28.185 -25.048 21.893 144 H ALA 26 H ALA 26 21.595 -31.394 20.830 145 HA ALA 26 HA ALA 26 22.369 -32.184 18.305 146 HB1 ALA 26 HB1 ALA 26 20.997 -33.877 18.733 147 HB2 ALA 26 HB2 ALA 26 20.504 -33.037 20.202 148 HB3 ALA 26 HB3 ALA 26 19.592 -32.814 18.711 149 H GLU 27 H GLU 27 19.602 -30.133 19.189 150 HA GLU 27 HA GLU 27 18.841 -29.712 16.451 151 HB3 GLU 27 HB2 GLU 27 17.681 -27.710 18.054 152 HG3 GLU 27 HG2 GLU 27 16.523 -30.408 17.401 153 H GLN 28 H GLN 28 20.651 -27.940 18.894 154 HA GLN 28 HA GLN 28 20.828 -25.457 17.663 155 HB3 GLN 28 HB2 GLN 28 22.850 -25.106 18.981 156 HG3 GLN 28 HG2 GLN 28 21.093 -26.862 20.660 157 HE21 GLN 28 HE21 GLN 28 20.701 -25.682 22.762 158 HE22 GLN 28 HE22 GLN 28 22.064 -24.896 23.474 159 H GLY 29 H GLY 29 23.059 -28.225 17.369 160 HA2 GLY 29 HA2 GLY 29 24.805 -27.045 15.516 161 HA3 GLY 29 HA3 GLY 29 24.577 -28.774 15.737 162 H LYS 30 H LYS 30 22.072 -29.256 14.922 163 HA LYS 30 HA LYS 30 22.228 -29.408 12.175 164 HB3 LYS 30 HB2 LYS 30 19.802 -29.878 12.208 165 HG3 LYS 30 HG2 LYS 30 21.502 -31.118 14.334 166 HD3 LYS 30 HD2 LYS 30 18.781 -31.051 14.589 167 HE3 LYS 30 HE2 LYS 30 19.545 -33.533 13.057 168 HZ1 LYS 30 HZ1 LYS 30 16.865 -33.594 13.598 169 HZ2 LYS 30 HZ2 LYS 30 17.566 -33.161 15.076 170 HZ3 LYS 30 HZ3 LYS 30 18.050 -34.582 14.294 171 H GLU 31 H GLU 31 20.232 -27.101 14.029 172 HA GLU 31 HA GLU 31 19.388 -25.598 11.817 173 HB3 GLU 31 HB2 GLU 31 18.758 -23.880 13.438 174 HG3 GLU 31 HG2 GLU 31 17.579 -25.344 15.167 175 H TYR 32 H TYR 32 22.338 -25.566 13.638 176 HA TYR 32 HA TYR 32 23.247 -22.984 12.941 177 HB3 TYR 32 HB2 TYR 32 24.925 -25.425 13.551 178 HD1 TYR 32 HD1 TYR 32 26.823 -24.657 12.236 179 HD2 TYR 32 HD2 TYR 32 25.078 -22.170 15.215 180 HE1 TYR 32 HE1 TYR 32 28.798 -23.192 12.162 181 HE2 TYR 32 HE2 TYR 32 27.047 -20.699 15.148 182 HH TYR 32 HH TYR 32 28.887 -20.169 13.292 183 H ILE 33 H ILE 33 23.800 -26.171 11.479 184 HA ILE 33 HA ILE 33 25.476 -25.215 9.396 185 HB ILE 33 HB ILE 33 23.820 -27.711 9.182 186 HG13 ILE 33 HG12 ILE 33 24.648 -28.049 11.328 187 HG21 ILE 33 HG21 ILE 33 26.664 -27.196 8.348 188 HG22 ILE 33 HG22 ILE 33 25.616 -28.531 7.868 189 HG23 ILE 33 HG23 ILE 33 25.278 -26.896 7.299 190 HD11 ILE 33 HD11 ILE 33 25.682 -29.668 9.530 191 HD12 ILE 33 HD12 ILE 33 27.184 -28.905 10.053 192 HD13 ILE 33 HD13 ILE 33 26.164 -29.738 11.226 193 H THR 34 H THR 34 22.036 -26.112 9.493 194 HA THR 34 HA THR 34 21.353 -25.722 6.859 195 HB THR 34 HB THR 34 19.073 -25.142 7.654 196 HG1 THR 34 HG1 THR 34 18.715 -24.656 9.727 197 HG21 THR 34 HG21 THR 34 20.359 -27.411 9.178 198 HG22 THR 34 HG22 THR 34 19.798 -27.490 7.508 199 HG23 THR 34 HG23 THR 34 18.642 -27.240 8.815 200 H ASP 35 H ASP 35 21.359 -23.273 9.443 201 HA ASP 35 HA ASP 35 20.513 -21.101 7.923 202 HB3 ASP 35 HB2 ASP 35 22.571 -20.533 9.968 203 H LYS 36 H LYS 36 23.691 -22.547 8.247 204 HA LYS 36 HA LYS 36 25.115 -20.455 6.940 205 HB3 LYS 36 HB2 LYS 36 26.950 -22.104 6.791 206 HG3 LYS 36 HG2 LYS 36 26.639 -22.903 9.368 207 HD3 LYS 36 HD2 LYS 36 27.282 -20.056 9.137 208 HE3 LYS 36 HE2 LYS 36 28.542 -22.568 10.133 209 HZ1 LYS 36 HZ1 LYS 36 30.037 -20.626 8.846 210 HZ2 LYS 36 HZ2 LYS 36 30.609 -21.875 9.833 211 HZ3 LYS 36 HZ3 LYS 36 30.265 -20.360 10.502 212 H ALA 37 H ALA 37 23.770 -23.554 5.871 213 HA ALA 37 HA ALA 37 24.729 -23.532 3.249 214 HB1 ALA 37 HB1 ALA 37 23.382 -25.333 2.886 215 HB2 ALA 37 HB2 ALA 37 23.379 -25.325 4.650 216 HB3 ALA 37 HB3 ALA 37 22.020 -24.634 3.762 217 H ASP 38 H ASP 38 22.173 -21.731 4.739 218 HA ASP 38 HA ASP 38 20.894 -20.995 2.264 219 HB3 ASP 38 HB2 ASP 38 20.370 -19.295 4.597 220 H LYS 39 H LYS 39 23.116 -19.491 4.564 221 HA LYS 39 HA LYS 39 23.188 -16.955 3.300 222 HB3 LYS 39 HB2 LYS 39 25.599 -17.132 4.579 223 HG3 LYS 39 HG2 LYS 39 23.722 -16.720 6.639 224 HD3 LYS 39 HD2 LYS 39 24.915 -14.621 4.839 225 HE3 LYS 39 HE2 LYS 39 23.632 -14.674 7.461 226 HZ1 LYS 39 HZ1 LYS 39 25.122 -13.545 8.693 227 HZ2 LYS 39 HZ2 LYS 39 25.826 -12.767 7.365 228 HZ3 LYS 39 HZ3 LYS 39 26.247 -14.363 7.731 229 H VAL 40 H VAL 40 25.344 -19.776 3.143 230 HA VAL 40 HA VAL 40 27.220 -18.681 1.366 231 HB VAL 40 HB VAL 40 27.701 -20.710 2.616 232 HG11 VAL 40 HG11 VAL 40 25.192 -21.507 2.024 233 HG12 VAL 40 HG12 VAL 40 26.114 -22.470 0.869 234 HG13 VAL 40 HG13 VAL 40 26.461 -22.592 2.593 235 HG21 VAL 40 HG21 VAL 40 28.959 -20.342 0.581 236 HG22 VAL 40 HG22 VAL 40 28.660 -22.068 0.792 237 HG23 VAL 40 HG23 VAL 40 27.709 -21.143 -0.370 238 H ALA 41 H ALA 41 24.178 -20.370 0.816 239 HA ALA 41 HA ALA 41 24.524 -20.549 -2.026 240 HB1 ALA 41 HB1 ALA 41 21.982 -21.052 -1.875 241 HB2 ALA 41 HB2 ALA 41 23.136 -22.211 -1.211 242 HB3 ALA 41 HB3 ALA 41 22.275 -21.108 -0.137 243 H GLY 42 H GLY 42 22.735 -18.422 0.176 244 HA2 GLY 42 HA2 GLY 42 21.483 -16.905 -1.885 245 HA3 GLY 42 HA3 GLY 42 21.623 -16.443 -0.194 246 H LYS 43 H LYS 43 24.527 -16.608 -0.162 247 HA LYS 43 HA LYS 43 25.119 -13.955 -0.934 248 HB3 LYS 43 HB2 LYS 43 27.578 -15.033 -0.611 249 HG3 LYS 43 HG2 LYS 43 27.412 -14.585 1.789 250 HD3 LYS 43 HD2 LYS 43 25.869 -12.311 1.119 251 HE3 LYS 43 HE2 LYS 43 27.962 -12.379 2.433 252 HZ1 LYS 43 HZ1 LYS 43 30.058 -12.284 1.096 253 HZ2 LYS 43 HZ2 LYS 43 29.182 -12.881 -0.222 254 HZ3 LYS 43 HZ3 LYS 43 29.339 -13.813 1.181 255 H VAL 44 H VAL 44 25.288 -16.975 -2.598 256 HA VAL 44 HA VAL 44 26.914 -15.795 -4.740 257 HB VAL 44 HB VAL 44 27.702 -17.956 -3.968 258 HG11 VAL 44 HG11 VAL 44 25.579 -18.814 -3.101 259 HG12 VAL 44 HG12 VAL 44 24.988 -19.013 -4.751 260 HG13 VAL 44 HG13 VAL 44 26.353 -19.973 -4.179 261 HG21 VAL 44 HG21 VAL 44 26.690 -19.004 -6.441 262 HG22 VAL 44 HG22 VAL 44 27.088 -17.296 -6.625 263 HG23 VAL 44 HG23 VAL 44 28.312 -18.430 -6.053 264 H GLN 45 H GLN 45 26.075 -15.309 -6.680 265 HA GLN 45 HA GLN 45 23.428 -14.876 -7.147 266 HB3 GLN 45 HB2 GLN 45 24.928 -13.933 -8.685 267 HG3 GLN 45 HG2 GLN 45 26.049 -16.668 -8.915 268 HE21 GLN 45 HE21 GLN 45 24.981 -17.123 -10.974 269 HE22 GLN 45 HE22 GLN 45 25.688 -16.517 -12.429 270 HA PRO 46 HA PRO 46 22.006 -19.154 -7.218 271 HB3 PRO 46 HB2 PRO 46 20.470 -18.555 -5.618 272 HG3 PRO 46 HG2 PRO 46 19.696 -16.366 -5.460 273 HD3 PRO 46 HD2 PRO 46 21.967 -15.981 -5.515 274 H GLU 47 H GLU 47 19.646 -19.818 -8.386 275 HA GLU 47 HA GLU 47 20.210 -19.292 -11.202 276 HB3 GLU 47 HB2 GLU 47 18.071 -21.121 -10.946 277 HG3 GLU 47 HG2 GLU 47 20.934 -21.941 -11.265 278 H ASP 48 H ASP 48 17.930 -18.506 -8.754 279 HA ASP 48 HA ASP 48 16.229 -17.201 -10.774 280 HB3 ASP 48 HB2 ASP 48 15.099 -18.063 -8.139 281 H ASN 49 H ASN 49 15.309 -15.191 -10.191 282 HA ASN 49 HA ASN 49 16.964 -13.410 -8.887 283 HB3 ASN 49 HB2 ASN 49 14.761 -12.016 -8.681 284 HD21 ASN 49 HD21 ASN 49 14.613 -10.472 -10.231 285 HD22 ASN 49 HD22 ASN 49 15.498 -10.513 -11.716 286 H LYS 50 H LYS 50 13.740 -14.196 -7.605 287 HA LYS 50 HA LYS 50 12.953 -14.402 -5.481 288 HB3 LYS 50 HB2 LYS 50 15.673 -15.216 -4.528 289 HG3 LYS 50 HG2 LYS 50 13.345 -15.312 -3.249 290 HD3 LYS 50 HD2 LYS 50 13.538 -18.029 -4.543 291 HE3 LYS 50 HE2 LYS 50 11.205 -16.945 -3.020 292 HZ1 LYS 50 HZ1 LYS 50 10.472 -19.005 -3.265 293 HZ2 LYS 50 HZ2 LYS 50 11.879 -19.659 -2.594 294 HZ3 LYS 50 HZ3 LYS 50 11.801 -19.345 -4.256 295 H GLY 51 H GLY 51 14.445 -11.926 -6.387 296 HA2 GLY 51 HA2 GLY 51 14.825 -9.852 -5.466 297 HA3 GLY 51 HA3 GLY 51 14.203 -10.485 -3.949 298 H VAL 52 H VAL 52 16.898 -9.294 -5.500 299 HA VAL 52 HA VAL 52 18.884 -10.780 -4.021 300 HB VAL 52 HB VAL 52 19.281 -8.229 -5.587 301 HG11 VAL 52 HG11 VAL 52 21.209 -10.428 -4.847 302 HG12 VAL 52 HG12 VAL 52 21.590 -8.959 -5.747 303 HG13 VAL 52 HG13 VAL 52 21.102 -8.856 -4.055 304 HG21 VAL 52 HG21 VAL 52 18.213 -9.953 -6.976 305 HG22 VAL 52 HG22 VAL 52 19.865 -9.619 -7.490 306 HG23 VAL 52 HG23 VAL 52 19.508 -11.076 -6.563 307 H PHE 53 H PHE 53 17.031 -7.895 -3.605 308 HA PHE 53 HA PHE 53 18.649 -6.408 -1.903 309 HB3 PHE 53 HB2 PHE 53 16.107 -6.009 -0.899 310 HD1 PHE 53 HD1 PHE 53 17.915 -5.394 -4.100 311 HD2 PHE 53 HD2 PHE 53 15.830 -3.732 -0.784 312 HE1 PHE 53 HE1 PHE 53 18.420 -3.131 -4.922 313 HE2 PHE 53 HE2 PHE 53 16.332 -1.466 -1.599 314 HZ PHE 53 HZ PHE 53 17.627 -1.163 -3.672 315 H GLN 54 H GLN 54 16.777 -9.284 -1.292 316 HA GLN 54 HA GLN 54 16.608 -9.199 1.490 317 HB3 GLN 54 HB2 GLN 54 16.994 -11.884 0.869 318 HG3 GLN 54 HG2 GLN 54 14.311 -11.385 0.324 319 HE21 GLN 54 HE21 GLN 54 13.330 -12.968 1.352 320 HE22 GLN 54 HE22 GLN 54 13.850 -13.701 2.827 321 H GLY 55 H GLY 55 19.207 -10.368 -0.611 322 HA2 GLY 55 HA2 GLY 55 20.827 -11.203 1.635 323 HA3 GLY 55 HA3 GLY 55 21.293 -11.233 -0.058 324 H VAL 56 H VAL 56 21.057 -8.655 -0.842 325 HA VAL 56 HA VAL 56 23.414 -7.469 -0.005 326 HB VAL 56 HB VAL 56 21.004 -6.018 -1.107 327 HG11 VAL 56 HG11 VAL 56 23.807 -5.257 -0.578 328 HG12 VAL 56 HG12 VAL 56 23.131 -4.732 -2.120 329 HG13 VAL 56 HG13 VAL 56 22.348 -4.269 -0.610 330 HG21 VAL 56 HG21 VAL 56 22.568 -8.060 -2.279 331 HG22 VAL 56 HG22 VAL 56 21.325 -7.066 -3.039 332 HG23 VAL 56 HG23 VAL 56 23.009 -6.544 -3.064 333 H HIS 57 H HIS 57 20.094 -6.734 1.037 334 HA HIS 57 HA HIS 57 20.713 -4.651 2.796 335 HB3 HIS 57 HB2 HIS 57 18.476 -6.612 3.279 336 HD1 HIS 57 HD1 HIS 57 19.227 -2.876 3.138 337 HD2 HIS 57 HD2 HIS 57 16.991 -5.629 5.299 338 HE1 HIS 57 HE1 HIS 57 18.087 -1.546 4.943 339 H ASP 58 H ASP 58 20.740 -8.138 3.244 340 HA ASP 58 HA ASP 58 21.003 -8.182 6.043 341 HB3 ASP 58 HB2 ASP 58 22.356 -10.249 4.361 342 H SER 59 H SER 59 23.253 -7.464 3.518 343 HA SER 59 HA SER 59 25.612 -7.892 5.108 344 HB3 SER 59 HB2 SER 59 26.841 -7.157 3.225 345 HG SER 59 HG SER 59 25.654 -8.137 1.429 346 H ALA 60 H ALA 60 23.818 -5.053 3.953 347 HA ALA 60 HA ALA 60 25.489 -3.172 5.298 348 HB1 ALA 60 HB1 ALA 60 22.668 -2.655 4.402 349 HB2 ALA 60 HB2 ALA 60 24.008 -1.515 4.534 350 HB3 ALA 60 HB3 ALA 60 24.018 -2.744 3.269 351 H GLU 61 H GLU 61 22.733 -5.065 6.203 352 HA GLU 61 HA GLU 61 21.903 -3.476 8.416 353 HB3 GLU 61 HB2 GLU 61 20.974 -5.909 9.076 354 HG3 GLU 61 HG2 GLU 61 19.863 -4.318 6.775 355 H LYS 62 H LYS 62 23.546 -6.645 8.343 356 HA LYS 62 HA LYS 62 25.129 -5.816 10.666 357 HB3 LYS 62 HB2 LYS 62 24.740 -8.023 11.735 358 HG3 LYS 62 HG2 LYS 62 21.972 -7.387 11.631 359 HD3 LYS 62 HD2 LYS 62 23.613 -6.197 13.756 360 HE3 LYS 62 HE2 LYS 62 22.119 -7.606 15.153 361 HZ1 LYS 62 HZ1 LYS 62 21.291 -5.469 14.712 362 HZ2 LYS 62 HZ2 LYS 62 19.999 -6.513 14.390 363 HZ3 LYS 62 HZ3 LYS 62 20.888 -5.847 13.113 364 H GLY 63 H GLY 63 24.681 -8.913 8.967 365 HA2 GLY 63 HA2 GLY 63 26.150 -10.201 7.757 366 HA3 GLY 63 HA3 GLY 63 27.037 -8.723 7.412 367 H LYS 64 H LYS 64 26.496 -9.669 10.703 368 HA LYS 64 HA LYS 64 28.729 -11.289 11.141 369 HB3 LYS 64 HB2 LYS 64 29.493 -8.676 12.255 370 HG3 LYS 64 HG2 LYS 64 31.218 -10.385 10.522 371 HD3 LYS 64 HD2 LYS 64 31.921 -8.166 11.571 372 HE3 LYS 64 HE2 LYS 64 32.078 -9.880 14.046 373 HZ1 LYS 64 HZ1 LYS 64 32.910 -8.005 15.104 374 HZ2 LYS 64 HZ2 LYS 64 32.421 -6.952 13.874 375 HZ3 LYS 64 HZ3 LYS 64 33.727 -7.999 13.622 376 H ASP 65 H ASP 65 29.491 -10.988 13.582 377 HA ASP 65 HA ASP 65 27.096 -11.273 15.142 378 HB3 ASP 65 HB2 ASP 65 28.504 -12.028 16.896 379 H ASN 66 H ASN 66 26.580 -8.909 14.522 380 HA ASN 66 HA ASN 66 27.765 -7.079 16.499 381 HB3 ASN 66 HB2 ASN 66 26.763 -5.273 15.040 382 HD21 ASN 66 HD21 ASN 66 29.150 -5.475 15.802 383 HD22 ASN 66 HD22 ASN 66 30.302 -5.634 14.525 384 H ALA 67 H ALA 67 25.973 -5.184 16.845 385 HA ALA 67 HA ALA 67 23.276 -5.988 17.086 386 HB1 ALA 67 HB1 ALA 67 24.943 -7.042 19.086 387 HB2 ALA 67 HB2 ALA 67 24.026 -5.737 19.840 388 HB3 ALA 67 HB3 ALA 67 23.181 -7.056 19.029 389 H GLU 68 H GLU 68 22.367 -4.516 19.173 390 HA GLU 68 HA GLU 68 22.324 -1.925 18.225 391 HB3 GLU 68 HB2 GLU 68 21.783 -1.493 20.834 392 HG3 GLU 68 HG2 GLU 68 20.193 -1.323 18.914 393 H GLY 69 H GLY 69 24.022 -2.952 21.198 394 HA2 GLY 69 HA2 GLY 69 26.035 -2.262 22.080 395 HA3 GLY 69 HA3 GLY 69 26.402 -1.530 20.525 396 H GLN 70 H GLN 70 26.592 -0.653 23.451 397 HA GLN 70 HA GLN 70 26.124 2.090 23.002 398 HB3 GLN 70 HB2 GLN 70 24.402 1.915 25.149 399 HG3 GLN 70 HG2 GLN 70 24.214 2.663 22.368 400 HE21 GLN 70 HE21 GLN 70 21.929 1.265 24.674 401 HE22 GLN 70 HE22 GLN 70 20.704 0.904 23.512 402 H GLY 71 H GLY 71 27.281 3.299 24.417 403 HA2 GLY 71 HA2 GLY 71 27.819 3.341 26.952 404 HA3 GLY 71 HA3 GLY 71 28.626 1.827 26.576 405 H GLU 72 H GLU 72 29.652 4.448 27.566 406 HA GLU 72 HA GLU 72 31.483 5.770 27.297 407 HB3 GLU 72 HB2 GLU 72 33.198 4.768 25.554 408 HG3 GLU 72 HG2 GLU 72 33.046 4.569 28.206 409 H SER 73 H SER 73 29.097 6.054 25.517 410 HA SER 73 HA SER 73 29.994 8.210 23.965 411 HB3 SER 73 HB2 SER 73 29.519 5.646 22.429 412 HG SER 73 HG SER 73 30.258 7.573 20.821 413 H LEU 74 H LEU 74 28.280 9.480 24.151 414 HA LEU 74 HA LEU 74 25.660 8.535 24.641 415 HB3 LEU 74 HB2 LEU 74 26.718 11.242 23.859 416 HG LEU 74 HG LEU 74 24.355 11.243 23.258 417 HD11 LEU 74 HD11 LEU 74 24.129 9.773 25.777 418 HD12 LEU 74 HD12 LEU 74 23.080 9.771 24.360 419 HD13 LEU 74 HD13 LEU 74 22.925 11.045 25.569 420 HD21 LEU 74 HD21 LEU 74 24.425 12.677 25.866 421 HD22 LEU 74 HD22 LEU 74 23.856 13.226 24.291 422 HD23 LEU 74 HD23 LEU 74 25.586 13.127 24.616 423 H ALA 75 H ALA 75 27.415 9.236 21.746 424 HA ALA 75 HA ALA 75 25.425 9.814 19.924 425 HB1 ALA 75 HB1 ALA 75 27.127 8.128 18.532 426 HB2 ALA 75 HB2 ALA 75 27.288 9.877 18.708 427 HB3 ALA 75 HB3 ALA 75 28.133 8.796 19.818 428 H ASP 76 H ASP 76 26.498 6.631 21.065 429 HA ASP 76 HA ASP 76 24.685 5.172 19.418 430 HB3 ASP 76 HB2 ASP 76 25.682 3.950 21.934 431 H GLN 77 H GLN 77 24.532 6.571 22.610 432 HA GLN 77 HA GLN 77 22.169 5.173 23.418 433 HB3 GLN 77 HB2 GLN 77 23.650 7.561 24.496 434 HG3 GLN 77 HG2 GLN 77 20.936 6.666 25.181 435 HE21 GLN 77 HE21 GLN 77 20.721 5.358 26.872 436 HE22 GLN 77 HE22 GLN 77 21.448 5.599 28.422 437 H ALA 78 H ALA 78 22.850 8.053 21.619 438 HA ALA 78 HA ALA 78 20.348 9.344 21.953 439 HB1 ALA 78 HB1 ALA 78 22.761 9.751 20.410 440 HB2 ALA 78 HB2 ALA 78 21.315 10.132 19.474 441 HB3 ALA 78 HB3 ALA 78 21.599 10.930 21.021 442 H ARG 79 H ARG 79 21.638 7.257 19.374 443 HA ARG 79 HA ARG 79 19.341 7.275 17.760 444 HB3 ARG 79 HB2 ARG 79 20.400 4.886 17.142 445 HG3 ARG 79 HG2 ARG 79 22.150 6.140 15.767 446 HD3 ARG 79 HD2 ARG 79 19.482 5.711 15.379 447 HE ARG 79 HE ARG 79 18.470 7.753 15.456 448 HH11 ARG 79 HH11 ARG 79 21.655 8.138 14.100 449 HH12 ARG 79 HH12 ARG 79 21.432 9.813 13.721 450 HH21 ARG 79 HH21 ARG 79 18.166 9.958 14.962 451 HH22 ARG 79 HH22 ARG 79 19.448 10.848 14.214 452 H ASP 80 H ASP 80 20.128 5.526 20.647 453 HA ASP 80 HA ASP 80 18.145 3.483 20.333 454 HB3 ASP 80 HB2 ASP 80 19.051 4.173 23.063 455 H TYR 81 H TYR 81 18.282 6.642 21.864 456 HA TYR 81 HA TYR 81 15.727 6.367 23.152 457 HB3 TYR 81 HB2 TYR 81 16.568 9.112 22.823 458 HD1 TYR 81 HD1 TYR 81 14.289 7.833 24.172 459 HD2 TYR 81 HD2 TYR 81 18.206 8.661 25.611 460 HE1 TYR 81 HE1 TYR 81 13.420 7.917 26.471 461 HE2 TYR 81 HE2 TYR 81 17.347 8.745 27.915 462 HH TYR 81 HH TYR 81 14.163 7.721 28.730 463 H MET 82 H MET 82 16.925 7.604 20.119 464 HA MET 82 HA MET 82 14.508 8.998 19.436 465 HB3 MET 82 HB2 MET 82 15.734 8.742 17.063 466 HG3 MET 82 HG2 MET 82 17.318 10.667 17.936 467 HE1 MET 82 HE1 MET 82 16.957 11.260 15.816 468 HE2 MET 82 HE2 MET 82 15.539 12.001 15.073 469 HE3 MET 82 HE3 MET 82 16.531 12.929 16.200 470 H GLY 83 H GLY 83 16.089 6.050 18.184 471 HA2 GLY 83 HA2 GLY 83 14.058 5.250 16.455 472 HA3 GLY 83 HA3 GLY 83 15.208 4.162 17.220 473 H ALA 84 H ALA 84 14.305 4.890 19.926 474 HA ALA 84 HA ALA 84 12.215 2.949 20.151 475 HB1 ALA 84 HB1 ALA 84 14.055 3.304 21.824 476 HB2 ALA 84 HB2 ALA 84 13.221 4.777 22.322 477 HB3 ALA 84 HB3 ALA 84 12.429 3.210 22.503 478 H ALA 85 H ALA 85 12.355 6.400 19.934 479 HA ALA 85 HA ALA 85 9.771 6.902 21.065 480 HB1 ALA 85 HB1 ALA 85 11.009 8.838 19.186 481 HB2 ALA 85 HB2 ALA 85 10.207 9.115 20.733 482 HB3 ALA 85 HB3 ALA 85 11.855 8.491 20.695 483 H LYS 86 H LYS 86 11.045 6.350 17.839 484 HA LYS 86 HA LYS 86 8.763 7.135 16.383 485 HB3 LYS 86 HB2 LYS 86 9.732 5.654 14.583 486 HG3 LYS 86 HG2 LYS 86 10.912 7.998 15.733 487 HD3 LYS 86 HD2 LYS 86 12.752 5.822 15.051 488 HE3 LYS 86 HE2 LYS 86 12.616 8.114 13.324 489 HZ1 LYS 86 HZ1 LYS 86 14.205 8.938 15.114 490 HZ2 LYS 86 HZ2 LYS 86 14.747 8.991 13.513 491 HZ3 LYS 86 HZ3 LYS 86 15.282 7.763 14.547 492 H SER 87 H SER 87 9.873 3.875 17.315 493 HA SER 87 HA SER 87 7.618 2.499 16.387 494 HB3 SER 87 HB2 SER 87 8.992 1.449 18.806 495 HG SER 87 HG SER 87 8.049 -0.180 17.860 496 H LYS 88 H LYS 88 8.349 3.849 19.580 497 HA LYS 88 HA LYS 88 6.025 2.919 20.876 498 HB3 LYS 88 HB2 LYS 88 6.518 4.880 22.458 499 HG3 LYS 88 HG2 LYS 88 8.623 3.912 23.312 500 HD3 LYS 88 HD2 LYS 88 7.325 1.411 22.781 501 HE3 LYS 88 HE2 LYS 88 7.295 3.283 25.146 502 HZ1 LYS 88 HZ1 LYS 88 6.944 0.458 25.591 503 HZ2 LYS 88 HZ2 LYS 88 5.642 1.187 24.796 504 HZ3 LYS 88 HZ3 LYS 88 6.148 1.772 26.300 505 H LEU 89 H LEU 89 6.768 6.095 19.440 506 HA LEU 89 HA LEU 89 4.373 7.374 19.936 507 HB3 LEU 89 HB2 LEU 89 6.119 7.595 17.488 508 HG LEU 89 HG LEU 89 4.161 8.822 16.940 509 HD11 LEU 89 HD11 LEU 89 4.104 9.346 19.812 510 HD12 LEU 89 HD12 LEU 89 2.786 9.281 18.640 511 HD13 LEU 89 HD13 LEU 89 3.733 10.759 18.823 512 HD21 LEU 89 HD21 LEU 89 5.370 10.549 16.251 513 HD22 LEU 89 HD22 LEU 89 6.654 10.046 17.351 514 HD23 LEU 89 HD23 LEU 89 5.438 11.208 17.886 515 H ASN 90 H ASN 90 5.233 5.534 17.004 516 HA ASN 90 HA ASN 90 2.753 5.728 15.737 517 HB3 ASN 90 HB2 ASN 90 4.196 3.186 15.340 518 HD21 ASN 90 HD21 ASN 90 2.186 3.012 14.142 519 HD22 ASN 90 HD22 ASN 90 2.080 3.725 12.572 520 H ASP 91 H ASP 91 3.825 3.696 18.339 521 HA ASP 91 HA ASP 91 1.765 1.740 18.140 522 HB3 ASP 91 HB2 ASP 91 2.778 2.127 20.835 523 H ALA 92 H ALA 92 2.095 4.813 19.810 524 HA ALA 92 HA ALA 92 -0.369 4.497 21.278 525 HB1 ALA 92 HB1 ALA 92 0.522 6.077 22.551 526 HB2 ALA 92 HB2 ALA 92 1.892 6.180 21.444 527 HB3 ALA 92 HB3 ALA 92 0.484 7.215 21.204 528 H VAL 93 H VAL 93 0.750 6.442 18.523 529 HA VAL 93 HA VAL 93 -1.537 7.919 18.038 530 HB VAL 93 HB VAL 93 0.224 6.750 15.883 531 HG11 VAL 93 HG11 VAL 93 -0.412 8.669 14.589 532 HG12 VAL 93 HG12 VAL 93 -1.877 7.874 15.170 533 HG13 VAL 93 HG13 VAL 93 -1.302 9.347 15.950 534 HG21 VAL 93 HG21 VAL 93 1.015 9.379 16.500 535 HG22 VAL 93 HG22 VAL 93 0.907 8.514 18.033 536 HG23 VAL 93 HG23 VAL 93 1.929 7.890 16.738 537 H GLU 94 H GLU 94 -0.669 4.793 16.550 538 HA GLU 94 HA GLU 94 -2.930 4.369 15.047 539 HB3 GLU 94 HB2 GLU 94 -2.202 1.881 16.254 540 HG3 GLU 94 HG2 GLU 94 -0.802 2.151 13.849 541 H TYR 95 H TYR 95 -2.479 3.878 18.499 542 HA TYR 95 HA TYR 95 -5.015 2.601 18.890 543 HB3 TYR 95 HB2 TYR 95 -3.228 3.914 20.947 544 HD1 TYR 95 HD1 TYR 95 -5.355 4.566 22.147 545 HD2 TYR 95 HD2 TYR 95 -4.339 0.517 21.323 546 HE1 TYR 95 HE1 TYR 95 -6.951 3.822 23.863 547 HE2 TYR 95 HE2 TYR 95 -5.933 -0.238 23.037 548 HH TYR 95 HH TYR 95 -7.052 1.467 25.385 549 H VAL 96 H VAL 96 -3.743 5.872 19.292 550 HA VAL 96 HA VAL 96 -6.031 6.991 20.506 551 HB VAL 96 HB VAL 96 -4.011 8.412 18.768 552 HG11 VAL 96 HG11 VAL 96 -5.662 9.524 21.026 553 HG12 VAL 96 HG12 VAL 96 -4.679 10.411 19.858 554 HG13 VAL 96 HG13 VAL 96 -6.158 9.604 19.335 555 HG21 VAL 96 HG21 VAL 96 -3.716 7.133 21.325 556 HG22 VAL 96 HG22 VAL 96 -2.501 7.935 20.329 557 HG23 VAL 96 HG23 VAL 96 -3.460 8.872 21.474 558 H SER 97 H SER 97 -4.944 7.012 17.114 559 HA SER 97 HA SER 97 -7.131 8.407 16.064 560 HB3 SER 97 HB2 SER 97 -6.154 6.449 14.182 561 HG SER 97 HG SER 97 -5.382 9.155 14.302 562 H GLY 98 H GLY 98 -6.732 5.047 16.920 563 HA2 GLY 98 HA2 GLY 98 -9.107 4.169 15.540 564 HA3 GLY 98 HA3 GLY 98 -8.133 3.219 16.651 565 H ARG 99 H ARG 99 -8.395 5.513 18.636 566 HA ARG 99 HA ARG 99 -10.866 4.538 19.821 567 HB3 ARG 99 HB2 ARG 99 -9.856 6.369 21.592 568 HG3 ARG 99 HG2 ARG 99 -8.421 3.904 21.925 569 HD3 ARG 99 HD2 ARG 99 -10.895 4.914 23.318 570 HE ARG 99 HE ARG 99 -9.454 2.633 23.821 571 HH11 ARG 99 HH11 ARG 99 -10.211 5.553 25.558 572 HH12 ARG 99 HH12 ARG 99 -10.162 4.795 27.114 573 HH21 ARG 99 HH21 ARG 99 -9.384 1.623 25.865 574 HH22 ARG 99 HH22 ARG 99 -9.689 2.560 27.288 575 H VAL 100 H VAL 100 -9.419 7.635 18.859 576 HA VAL 100 HA VAL 100 -11.414 9.371 19.636 577 HB VAL 100 HB VAL 100 -9.746 9.518 17.121 578 HG11 VAL 100 HG11 VAL 100 -10.190 11.932 17.206 579 HG12 VAL 100 HG12 VAL 100 -11.669 10.997 16.978 580 HG13 VAL 100 HG13 VAL 100 -11.288 11.673 18.561 581 HG21 VAL 100 HG21 VAL 100 -8.088 10.536 18.338 582 HG22 VAL 100 HG22 VAL 100 -9.197 11.089 19.594 583 HG23 VAL 100 HG23 VAL 100 -8.708 9.396 19.533 584 H HIS 101 H HIS 101 -11.352 7.172 16.921 585 HA HIS 101 HA HIS 101 -12.957 6.506 15.450 586 HB3 HIS 101 HB2 HIS 101 -14.960 7.979 17.160 587 HD1 HIS 101 HD1 HIS 101 -14.495 4.704 15.260 588 HD2 HIS 101 HD2 HIS 101 -17.393 7.564 16.086 589 HE1 HIS 101 HE1 HIS 101 -16.554 3.951 14.027 590 H GLY 102 H GLY 102 -14.464 7.296 13.785 591 HA2 GLY 102 HA2 GLY 102 -15.412 9.009 12.472 592 HA3 GLY 102 HA3 GLY 102 -14.534 10.196 13.429 593 H GLU 103 H GLU 103 -12.065 8.437 13.061 594 HA GLU 103 HA GLU 103 -11.397 8.289 10.351 595 HB3 GLU 103 HB2 GLU 103 -11.584 10.650 10.183 596 HG3 GLU 103 HG2 GLU 103 -9.730 10.968 12.527 597 H GLU 104 H GLU 104 -9.615 7.077 10.181 598 HA GLU 104 HA GLU 104 -7.719 7.062 12.433 599 HB3 GLU 104 HB2 GLU 104 -8.770 4.668 10.919 600 HG3 GLU 104 HG2 GLU 104 -6.870 4.635 13.245 601 H ASP 105 H ASP 105 -7.871 5.355 9.320 602 HA ASP 105 HA ASP 105 -6.439 5.268 7.554 603 HB3 ASP 105 HB2 ASP 105 -5.357 7.934 8.463 604 HA PRO 106 HA PRO 106 -3.075 3.983 10.523 605 HB3 PRO 106 HB2 PRO 106 -4.206 2.087 11.160 606 HG3 PRO 106 HG2 PRO 106 -5.855 1.162 9.806 607 HD3 PRO 106 HD2 PRO 106 -6.556 3.359 9.841 608 H THR 107 H THR 107 -1.011 2.994 9.989 609 HA THR 107 HA THR 107 -0.286 2.126 7.424 610 HB THR 107 HB THR 107 1.210 4.453 7.266 611 HG1 THR 107 HG1 THR 107 -1.445 5.349 7.478 612 HG21 THR 107 HG21 THR 107 -0.923 4.844 5.534 613 HG22 THR 107 HG22 THR 107 -0.871 3.096 5.765 614 HG23 THR 107 HG23 THR 107 0.558 3.953 5.187 615 H LYS 108 H LYS 108 1.681 1.192 7.503 616 HA LYS 108 HA LYS 108 3.695 2.103 9.374 617 HB3 LYS 108 HB2 LYS 108 3.045 -0.795 9.599 618 HG3 LYS 108 HG2 LYS 108 3.434 0.524 12.088 619 HD3 LYS 108 HD2 LYS 108 4.763 -1.560 10.441 620 HE3 LYS 108 HE2 LYS 108 6.376 0.198 11.785 621 HZ1 LYS 108 HZ1 LYS 108 5.304 -1.626 13.703 622 HZ2 LYS 108 HZ2 LYS 108 6.281 -0.265 13.942 623 HZ3 LYS 108 HZ3 LYS 108 6.987 -1.761 13.585 624 H LYS 109 H LYS 109 5.713 0.743 9.182 625 HA LYS 109 HA LYS 109 7.425 0.058 7.843 626 HB3 LYS 109 HB2 LYS 109 6.033 -1.688 6.057 627 HG3 LYS 109 HG2 LYS 109 7.096 -2.881 8.506 628 HD3 LYS 109 HD2 LYS 109 8.570 -3.431 6.115 629 HE3 LYS 109 HE2 LYS 109 6.939 -4.836 8.117 630 HZ1 LYS 109 HZ1 LYS 109 5.851 -6.075 6.633 631 HZ2 LYS 109 HZ2 LYS 109 7.339 -6.826 6.346 632 HZ3 LYS 109 HZ3 LYS 109 6.815 -5.575 5.335 Start of MODEL 17 1 H1 MET 1 H MET 1 -32.384 2.273 66.064 2 HA MET 1 HA MET 1 -31.077 3.364 63.681 3 HB3 MET 1 HB2 MET 1 -33.378 2.259 62.754 4 HG3 MET 1 HG2 MET 1 -30.647 1.210 63.136 5 HE1 MET 1 HE1 MET 1 -29.878 -1.084 63.663 6 HE2 MET 1 HE2 MET 1 -30.463 -2.484 62.763 7 HE3 MET 1 HE3 MET 1 -29.818 -1.087 61.900 8 H SER 2 H SER 2 -31.442 5.570 64.454 9 HA SER 2 HA SER 2 -33.622 6.796 63.194 10 HB3 SER 2 HB2 SER 2 -34.531 5.684 65.476 11 HG SER 2 HG SER 2 -34.720 7.632 66.897 12 H ASP 3 H ASP 3 -33.912 9.150 64.424 13 HA ASP 3 HA ASP 3 -31.154 10.164 64.629 14 HB3 ASP 3 HB2 ASP 3 -31.795 12.123 63.544 15 H ALA 4 H ALA 4 -30.654 10.436 66.708 16 HA ALA 4 HA ALA 4 -32.677 11.244 68.632 17 HB1 ALA 4 HB1 ALA 4 -31.058 10.769 70.318 18 HB2 ALA 4 HB2 ALA 4 -30.990 9.467 69.130 19 HB3 ALA 4 HB3 ALA 4 -29.752 10.724 69.132 20 H GLY 5 H GLY 5 -31.425 12.780 70.426 21 HA2 GLY 5 HA2 GLY 5 -31.257 15.320 69.039 22 HA3 GLY 5 HA3 GLY 5 -31.277 15.078 70.779 23 H ARG 6 H ARG 6 -29.583 16.927 69.781 24 HA ARG 6 HA ARG 6 -26.994 15.880 69.192 25 HB3 ARG 6 HB2 ARG 6 -26.293 18.289 69.726 26 HG3 ARG 6 HG2 ARG 6 -28.466 18.001 67.664 27 HD3 ARG 6 HD2 ARG 6 -26.244 19.586 66.862 28 HE ARG 6 HE ARG 6 -28.967 19.758 66.622 29 HH11 ARG 6 HH11 ARG 6 -26.395 21.955 67.440 30 HH12 ARG 6 HH12 ARG 6 -27.204 23.347 66.802 31 HH21 ARG 6 HH21 ARG 6 -30.044 21.583 65.777 32 HH22 ARG 6 HH22 ARG 6 -29.281 23.135 65.857 33 H LYS 7 H LYS 7 -25.073 16.538 70.579 34 HA LYS 7 HA LYS 7 -23.875 16.310 72.499 35 HB3 LYS 7 HB2 LYS 7 -24.755 17.220 74.528 36 HG3 LYS 7 HG2 LYS 7 -24.908 18.659 72.155 37 HD3 LYS 7 HD2 LYS 7 -27.408 18.949 73.805 38 HE3 LYS 7 HE2 LYS 7 -27.254 20.872 71.708 39 HZ1 LYS 7 HZ1 LYS 7 -27.062 21.728 74.481 40 HZ2 LYS 7 HZ2 LYS 7 -28.384 20.743 74.099 41 HZ3 LYS 7 HZ3 LYS 7 -28.150 22.201 73.274 42 H GLY 8 H GLY 8 -23.629 14.961 74.458 43 HA2 GLY 8 HA2 GLY 8 -23.708 12.900 75.464 44 HA3 GLY 8 HA3 GLY 8 -25.452 13.025 75.288 45 H PHE 9 H PHE 9 -26.482 11.812 73.780 46 HA PHE 9 HA PHE 9 -24.961 9.691 72.556 47 HB3 PHE 9 HB2 PHE 9 -27.719 9.788 71.701 48 HD1 PHE 9 HD2 PHE 9 -25.868 8.323 74.595 49 HD2 PHE 9 HD1 PHE 9 -27.956 7.640 70.951 50 HE1 PHE 9 HE2 PHE 9 -25.588 5.897 74.894 51 HE2 PHE 9 HE1 PHE 9 -27.680 5.213 71.243 52 HZ PHE 9 HZ PHE 9 -26.493 4.339 73.216 53 H GLY 10 H GLY 10 -26.308 12.723 71.589 54 HA2 GLY 10 HA2 GLY 10 -26.675 12.336 68.853 55 HA3 GLY 10 HA3 GLY 10 -26.238 13.865 69.600 56 H GLU 11 H GLU 11 -23.768 13.635 70.464 57 HA GLU 11 HA GLU 11 -22.161 13.862 68.226 58 HB3 GLU 11 HB2 GLU 11 -20.534 12.976 70.396 59 HG3 GLU 11 HG2 GLU 11 -20.889 15.843 70.260 60 H LYS 12 H LYS 12 -22.394 11.090 70.449 61 HA LYS 12 HA LYS 12 -20.600 9.418 69.102 62 HB3 LYS 12 HB2 LYS 12 -21.534 7.614 70.384 63 HG3 LYS 12 HG2 LYS 12 -21.574 8.453 72.633 64 HD3 LYS 12 HD2 LYS 12 -19.714 10.135 70.952 65 HE3 LYS 12 HE2 LYS 12 -18.686 9.158 73.463 66 HZ1 LYS 12 HZ1 LYS 12 -19.007 11.799 72.179 67 HZ2 LYS 12 HZ2 LYS 12 -17.585 10.926 72.454 68 HZ3 LYS 12 HZ3 LYS 12 -18.393 11.653 73.749 69 H ALA 13 H ALA 13 -24.117 9.761 68.780 70 HA ALA 13 HA ALA 13 -24.638 7.710 67.003 71 HB1 ALA 13 HB1 ALA 13 -26.611 8.626 67.555 72 HB2 ALA 13 HB2 ALA 13 -25.930 10.245 67.722 73 HB3 ALA 13 HB3 ALA 13 -26.350 9.625 66.125 74 H SER 14 H SER 14 -23.799 11.084 66.210 75 HA SER 14 HA SER 14 -23.746 10.739 63.423 76 HB3 SER 14 HB2 SER 14 -22.073 12.719 64.979 77 HG SER 14 HG SER 14 -22.322 13.951 63.131 78 H GLU 15 H GLU 15 -21.422 10.006 65.896 79 HA GLU 15 HA GLU 15 -19.189 9.749 64.103 80 HB3 GLU 15 HB2 GLU 15 -18.164 8.583 66.154 81 HG3 GLU 15 HG2 GLU 15 -18.862 11.086 67.337 82 H ALA 16 H ALA 16 -21.594 7.620 65.511 83 HA ALA 16 HA ALA 16 -20.378 5.162 64.847 84 HB1 ALA 16 HB1 ALA 16 -22.549 4.170 65.237 85 HB2 ALA 16 HB2 ALA 16 -22.220 5.391 66.467 86 HB3 ALA 16 HB3 ALA 16 -23.321 5.753 65.138 87 H LEU 17 H LEU 17 -22.917 7.025 63.177 88 HA LEU 17 HA LEU 17 -23.153 5.311 60.965 89 HB3 LEU 17 HB2 LEU 17 -24.819 7.001 61.544 90 HG LEU 17 HG LEU 17 -22.963 8.870 61.891 91 HD11 LEU 17 HD11 LEU 17 -23.945 9.921 59.334 92 HD12 LEU 17 HD12 LEU 17 -22.766 8.617 59.202 93 HD13 LEU 17 HD13 LEU 17 -22.366 10.081 60.100 94 HD21 LEU 17 HD21 LEU 17 -24.747 10.539 61.704 95 HD22 LEU 17 HD22 LEU 17 -25.309 9.070 62.504 96 HD23 LEU 17 HD23 LEU 17 -25.737 9.377 60.820 97 H LYS 18 H LYS 18 -21.089 8.113 61.556 98 HA LYS 18 HA LYS 18 -20.020 8.337 58.961 99 HB3 LYS 18 HB2 LYS 18 -18.006 9.168 60.700 100 HG3 LYS 18 HG2 LYS 18 -20.086 11.172 60.296 101 HD3 LYS 18 HD2 LYS 18 -17.469 11.173 58.890 102 HE3 LYS 18 HE2 LYS 18 -19.430 13.043 59.481 103 HZ1 LYS 18 HZ1 LYS 18 -18.914 13.826 61.492 104 HZ2 LYS 18 HZ2 LYS 18 -17.588 14.557 60.737 105 HZ3 LYS 18 HZ3 LYS 18 -17.399 13.071 61.524 106 HA PRO 19 HA PRO 19 -17.104 5.079 58.603 107 HB3 PRO 19 HB2 PRO 19 -16.532 5.943 56.552 108 HG3 PRO 19 HG2 PRO 19 -16.413 8.239 56.209 109 HD3 PRO 19 HD2 PRO 19 -18.489 8.093 57.200 110 H ASP 20 H ASP 20 -14.483 4.851 58.769 111 HA ASP 20 HA ASP 20 -13.105 6.305 60.716 112 HB3 ASP 20 HB2 ASP 20 -13.737 3.760 62.045 113 H SER 21 H SER 21 -12.654 5.004 58.210 114 HA SER 21 HA SER 21 -10.918 2.744 58.824 115 HB3 SER 21 HB2 SER 21 -12.539 2.963 56.781 116 HG SER 21 HG SER 21 -11.767 4.041 55.079 117 H GLN 22 H GLN 22 -8.932 2.947 56.994 118 HA GLN 22 HA GLN 22 -7.127 4.738 58.252 119 HB3 GLN 22 HB2 GLN 22 -6.458 3.603 55.588 120 HG3 GLN 22 HG2 GLN 22 -5.077 4.253 58.072 121 HE21 GLN 22 HE21 GLN 22 -5.530 2.088 59.079 122 HE22 GLN 22 HE22 GLN 22 -4.378 0.834 58.788 123 H LYS 23 H LYS 23 -9.416 5.189 55.828 124 HA LYS 23 HA LYS 23 -9.911 6.909 54.424 125 HB3 LYS 23 HB2 LYS 23 -8.032 8.885 55.381 126 HG3 LYS 23 HG2 LYS 23 -10.929 8.759 56.120 127 HD3 LYS 23 HD2 LYS 23 -10.375 11.275 55.275 128 HE3 LYS 23 HE2 LYS 23 -9.989 11.798 57.716 129 HZ1 LYS 23 HZ1 LYS 23 -12.189 11.868 57.668 130 HZ2 LYS 23 HZ2 LYS 23 -12.233 10.241 58.123 131 HZ3 LYS 23 HZ3 LYS 23 -12.272 10.661 56.486 132 H SER 24 H SER 24 -8.897 8.536 52.844 133 HA SER 24 HA SER 24 -6.858 7.133 51.377 134 HB3 SER 24 HB2 SER 24 -7.556 9.818 50.424 135 HG SER 24 HG SER 24 -7.948 8.633 48.547 136 H TYR 25 H TYR 25 -6.727 9.225 53.908 137 HA TYR 25 HA TYR 25 -4.834 11.140 53.293 138 HB3 TYR 25 HB2 TYR 25 -4.328 9.967 55.903 139 HD1 TYR 25 HD1 TYR 25 -2.818 12.039 55.358 140 HD2 TYR 25 HD2 TYR 25 -7.009 12.251 56.061 141 HE1 TYR 25 HE1 TYR 25 -2.597 14.423 55.918 142 HE2 TYR 25 HE2 TYR 25 -6.800 14.636 56.622 143 HH TYR 25 HH TYR 25 -5.374 16.312 57.036 144 H ALA 26 H ALA 26 -4.439 7.714 53.735 145 HA ALA 26 HA ALA 26 -1.751 7.472 54.307 146 HB1 ALA 26 HB1 ALA 26 -2.653 5.408 54.274 147 HB2 ALA 26 HB2 ALA 26 -3.760 5.795 52.958 148 HB3 ALA 26 HB3 ALA 26 -2.077 5.403 52.607 149 H GLU 27 H GLU 27 -3.270 7.853 51.114 150 HA GLU 27 HA GLU 27 -0.745 7.900 49.746 151 HB3 GLU 27 HB2 GLU 27 -2.821 9.045 48.154 152 HG3 GLU 27 HG2 GLU 27 -2.568 6.305 47.550 153 H GLN 28 H GLN 28 -3.065 10.283 50.894 154 HA GLN 28 HA GLN 28 -2.108 12.552 49.609 155 HB3 GLN 28 HB2 GLN 28 -3.133 13.832 51.414 156 HG3 GLN 28 HG2 GLN 28 -4.857 11.403 51.084 157 HE21 GLN 28 HE21 GLN 28 -5.848 14.294 49.684 158 HE22 GLN 28 HE22 GLN 28 -6.912 14.831 50.932 159 H GLY 29 H GLY 29 -1.167 11.264 52.797 160 HA2 GLY 29 HA2 GLY 29 0.787 13.196 53.369 161 HA3 GLY 29 HA3 GLY 29 0.728 11.580 54.055 162 H LYS 30 H LYS 30 1.200 9.934 51.998 163 HA LYS 30 HA LYS 30 3.936 9.935 51.688 164 HB3 LYS 30 HB2 LYS 30 3.585 8.323 49.848 165 HG3 LYS 30 HG2 LYS 30 1.897 8.045 52.302 166 HD3 LYS 30 HD2 LYS 30 1.209 6.754 49.999 167 HE3 LYS 30 HE2 LYS 30 3.444 5.304 51.268 168 HZ1 LYS 30 HZ1 LYS 30 0.846 4.106 50.967 169 HZ2 LYS 30 HZ2 LYS 30 2.203 3.547 51.808 170 HZ3 LYS 30 HZ3 LYS 30 2.066 3.272 50.144 171 H GLU 31 H GLU 31 1.553 10.917 49.219 172 HA GLU 31 HA GLU 31 3.431 11.844 47.352 173 HB3 GLU 31 HB2 GLU 31 0.506 12.274 47.785 174 HG3 GLU 31 HG2 GLU 31 1.242 14.463 47.028 175 H TYR 32 H TYR 32 2.082 13.302 50.196 176 HA TYR 32 HA TYR 32 2.621 16.007 49.594 177 HB3 TYR 32 HB2 TYR 32 2.556 14.713 52.326 178 HD1 TYR 32 HD2 TYR 32 4.045 16.361 53.321 179 HD2 TYR 32 HD1 TYR 32 0.568 17.564 51.186 180 HE1 TYR 32 HE2 TYR 32 4.246 18.618 54.279 181 HE2 TYR 32 HE1 TYR 32 0.759 19.825 52.137 182 HH TYR 32 HH TYR 32 2.531 20.574 54.754 183 H ILE 33 H ILE 33 4.507 13.526 51.286 184 HA ILE 33 HA ILE 33 6.703 15.245 51.865 185 HB ILE 33 HB ILE 33 6.924 12.256 51.660 186 HG13 ILE 33 HG12 ILE 33 4.988 12.358 52.943 187 HG21 ILE 33 HG21 ILE 33 8.586 12.482 53.342 188 HG22 ILE 33 HG22 ILE 33 8.918 13.713 52.125 189 HG23 ILE 33 HG23 ILE 33 8.142 14.162 53.645 190 HD11 ILE 33 HD11 ILE 33 5.514 11.678 55.048 191 HD12 ILE 33 HD12 ILE 33 7.093 11.516 54.276 192 HD13 ILE 33 HD13 ILE 33 6.738 12.930 55.267 193 H THR 34 H THR 34 5.935 13.014 49.252 194 HA THR 34 HA THR 34 8.468 12.988 48.017 195 HB THR 34 HB THR 34 5.901 11.900 47.468 196 HG1 THR 34 HG1 THR 34 8.537 11.548 46.497 197 HG21 THR 34 HG21 THR 34 7.133 13.296 45.088 198 HG22 THR 34 HG22 THR 34 5.597 13.711 45.847 199 HG23 THR 34 HG23 THR 34 5.787 12.158 45.034 200 H ASP 35 H ASP 35 5.757 15.201 47.818 201 HA ASP 35 HA ASP 35 6.718 16.630 45.539 202 HB3 ASP 35 HB2 ASP 35 4.974 18.125 47.359 203 H LYS 36 H LYS 36 7.198 16.851 48.985 204 HA LYS 36 HA LYS 36 8.324 19.474 48.981 205 HB3 LYS 36 HB2 LYS 36 9.074 18.899 51.272 206 HG3 LYS 36 HG2 LYS 36 6.651 17.914 51.971 207 HD3 LYS 36 HD2 LYS 36 6.483 20.712 51.161 208 HE3 LYS 36 HE2 LYS 36 6.201 19.053 53.606 209 HZ1 LYS 36 HZ1 LYS 36 6.078 21.907 54.072 210 HZ2 LYS 36 HZ2 LYS 36 7.641 21.289 53.883 211 HZ3 LYS 36 HZ3 LYS 36 6.625 20.666 55.084 212 H ALA 37 H ALA 37 9.673 16.198 48.969 213 HA ALA 37 HA ALA 37 12.377 16.887 49.173 214 HB1 ALA 37 HB1 ALA 37 11.139 14.526 47.762 215 HB2 ALA 37 HB2 ALA 37 12.833 14.674 48.226 216 HB3 ALA 37 HB3 ALA 37 11.583 14.607 49.467 217 H ASP 38 H ASP 38 10.174 17.093 46.514 218 HA ASP 38 HA ASP 38 12.217 17.274 44.489 219 HB3 ASP 38 HB2 ASP 38 9.569 18.337 43.809 220 H LYS 39 H LYS 39 10.118 19.515 46.239 221 HA LYS 39 HA LYS 39 10.911 21.839 44.826 222 HB3 LYS 39 HB2 LYS 39 10.129 22.778 47.273 223 HG3 LYS 39 HG2 LYS 39 7.731 22.080 45.969 224 HD3 LYS 39 HD2 LYS 39 9.088 24.631 45.314 225 HE3 LYS 39 HE2 LYS 39 6.407 23.843 46.444 226 HZ1 LYS 39 HZ1 LYS 39 7.307 26.559 45.657 227 HZ2 LYS 39 HZ2 LYS 39 7.165 26.036 47.259 228 HZ3 LYS 39 HZ3 LYS 39 5.792 26.129 46.275 229 H VAL 40 H VAL 40 11.935 20.453 47.935 230 HA VAL 40 HA VAL 40 13.797 22.445 48.605 231 HB VAL 40 HB VAL 40 13.025 20.832 50.253 232 HG11 VAL 40 HG11 VAL 40 13.298 18.950 48.337 233 HG12 VAL 40 HG12 VAL 40 14.748 18.644 49.295 234 HG13 VAL 40 HG13 VAL 40 13.159 18.590 50.058 235 HG21 VAL 40 HG21 VAL 40 15.203 20.237 51.256 236 HG22 VAL 40 HG22 VAL 40 15.995 20.674 49.742 237 HG23 VAL 40 HG23 VAL 40 15.149 21.904 50.682 238 H ALA 41 H ALA 41 14.088 19.525 46.659 239 HA ALA 41 HA ALA 41 16.933 19.731 46.357 240 HB1 ALA 41 HB1 ALA 41 14.795 17.991 45.231 241 HB2 ALA 41 HB2 ALA 41 16.354 18.062 44.408 242 HB3 ALA 41 HB3 ALA 41 16.269 17.554 46.095 243 H GLY 42 H GLY 42 14.114 20.553 44.371 244 HA2 GLY 42 HA2 GLY 42 15.624 21.400 42.109 245 HA3 GLY 42 HA3 GLY 42 13.932 21.757 42.419 246 H LYS 43 H LYS 43 14.440 23.031 44.982 247 HA LYS 43 HA LYS 43 14.832 25.679 44.079 248 HB3 LYS 43 HB2 LYS 43 15.137 25.924 46.753 249 HG3 LYS 43 HG2 LYS 43 12.704 26.070 46.974 250 HD3 LYS 43 HD2 LYS 43 12.748 27.312 44.406 251 HE3 LYS 43 HE2 LYS 43 12.712 28.073 47.256 252 HZ1 LYS 43 HZ1 LYS 43 13.511 30.157 47.057 253 HZ2 LYS 43 HZ2 LYS 43 13.068 30.311 45.433 254 HZ3 LYS 43 HZ3 LYS 43 14.472 29.465 45.849 255 H VAL 44 H VAL 44 16.997 23.250 45.224 256 HA VAL 44 HA VAL 44 19.154 25.215 45.557 257 HB VAL 44 HB VAL 44 18.916 23.669 47.414 258 HG11 VAL 44 HG11 VAL 44 19.388 21.477 45.397 259 HG12 VAL 44 HG12 VAL 44 19.241 21.269 47.143 260 HG13 VAL 44 HG13 VAL 44 17.859 21.825 46.200 261 HG21 VAL 44 HG21 VAL 44 21.125 23.703 47.661 262 HG22 VAL 44 HG22 VAL 44 21.323 22.433 46.453 263 HG23 VAL 44 HG23 VAL 44 21.269 24.123 45.953 264 H GLN 45 H GLN 45 20.805 25.354 44.158 265 HA GLN 45 HA GLN 45 20.896 23.388 41.966 266 HB3 GLN 45 HB2 GLN 45 21.674 26.309 41.959 267 HG3 GLN 45 HG2 GLN 45 22.322 24.160 40.105 268 HE21 GLN 45 HE21 GLN 45 21.609 23.852 38.130 269 HE22 GLN 45 HE22 GLN 45 20.732 24.989 37.169 270 HA PRO 46 HA PRO 46 24.858 22.986 44.352 271 HB3 PRO 46 HB2 PRO 46 24.036 21.209 45.555 272 HG3 PRO 46 HG2 PRO 46 22.269 19.930 44.750 273 HD3 PRO 46 HD2 PRO 46 21.384 22.041 44.481 274 H GLU 47 H GLU 47 26.533 20.969 43.646 275 HA GLU 47 HA GLU 47 27.636 21.835 41.235 276 HB3 GLU 47 HB2 GLU 47 28.981 19.677 41.381 277 HG3 GLU 47 HG2 GLU 47 29.031 20.987 44.055 278 H ASP 48 H ASP 48 25.137 19.554 41.860 279 HA ASP 48 HA ASP 48 25.028 18.922 38.989 280 HB3 ASP 48 HB2 ASP 48 24.027 16.838 40.833 281 H ASN 49 H ASN 49 22.747 17.638 38.714 282 HA ASN 49 HA ASN 49 20.557 18.419 40.264 283 HB3 ASN 49 HB2 ASN 49 21.230 20.268 37.977 284 HD21 ASN 49 HD21 ASN 49 19.671 21.127 36.809 285 HD22 ASN 49 HD22 ASN 49 17.978 21.018 37.141 286 H LYS 50 H LYS 50 20.931 18.626 36.734 287 HA LYS 50 HA LYS 50 19.855 15.988 36.330 288 HB3 LYS 50 HB2 LYS 50 18.166 17.898 34.903 289 HG3 LYS 50 HG2 LYS 50 17.675 15.485 36.618 290 HD3 LYS 50 HD2 LYS 50 15.285 15.820 35.585 291 HE3 LYS 50 HE2 LYS 50 16.511 16.654 38.091 292 HZ1 LYS 50 HZ1 LYS 50 15.233 18.359 38.680 293 HZ2 LYS 50 HZ2 LYS 50 13.832 17.661 38.038 294 HZ3 LYS 50 HZ3 LYS 50 14.868 18.554 37.040 295 H GLY 51 H GLY 51 19.032 16.154 33.730 296 HA2 GLY 51 HA2 GLY 51 20.077 17.550 31.773 297 HA3 GLY 51 HA3 GLY 51 21.554 16.830 32.397 298 H VAL 52 H VAL 52 19.593 14.462 33.075 299 HA VAL 52 HA VAL 52 20.173 13.036 30.613 300 HB VAL 52 HB VAL 52 18.893 12.002 33.146 301 HG11 VAL 52 HG11 VAL 52 20.167 10.545 30.832 302 HG12 VAL 52 HG12 VAL 52 19.528 9.799 32.298 303 HG13 VAL 52 HG13 VAL 52 18.440 10.625 31.182 304 HG21 VAL 52 HG21 VAL 52 21.771 11.765 32.283 305 HG22 VAL 52 HG22 VAL 52 21.184 12.936 33.464 306 HG23 VAL 52 HG23 VAL 52 21.060 11.208 33.798 307 H PHE 53 H PHE 53 17.477 14.486 32.215 308 HA PHE 53 HA PHE 53 15.562 13.113 30.482 309 HB3 PHE 53 HB2 PHE 53 14.140 14.934 32.022 310 HD1 PHE 53 HD2 PHE 53 15.843 11.782 33.064 311 HD2 PHE 53 HD1 PHE 53 12.194 13.728 32.059 312 HE1 PHE 53 HE2 PHE 53 14.606 9.716 33.571 313 HE2 PHE 53 HE1 PHE 53 10.951 11.666 32.566 314 HZ PHE 53 HZ PHE 53 12.158 9.657 33.322 315 H GLN 54 H GLN 54 17.143 16.165 30.905 316 HA GLN 54 HA GLN 54 15.413 17.884 29.570 317 HB3 GLN 54 HB2 GLN 54 17.970 18.712 28.830 318 HG3 GLN 54 HG2 GLN 54 17.465 19.642 31.460 319 HE21 GLN 54 HE21 GLN 54 16.348 20.297 28.151 320 HE22 GLN 54 HE22 GLN 54 17.080 21.857 28.031 321 H GLY 55 H GLY 55 17.466 15.378 28.337 322 HA2 GLY 55 HA2 GLY 55 17.619 16.285 25.647 323 HA3 GLY 55 HA3 GLY 55 17.910 14.643 26.203 324 H VAL 56 H VAL 56 15.109 14.795 27.458 325 HA VAL 56 HA VAL 56 13.751 13.415 25.422 326 HB VAL 56 HB VAL 56 12.596 14.771 27.863 327 HG11 VAL 56 HG11 VAL 56 10.962 12.686 27.371 328 HG12 VAL 56 HG12 VAL 56 10.667 14.323 26.779 329 HG13 VAL 56 HG13 VAL 56 11.414 13.124 25.724 330 HG21 VAL 56 HG21 VAL 56 14.291 12.505 27.592 331 HG22 VAL 56 HG22 VAL 56 13.556 13.162 29.054 332 HG23 VAL 56 HG23 VAL 56 12.696 11.951 28.104 333 H HIS 57 H HIS 57 13.525 16.771 26.528 334 HA HIS 57 HA HIS 57 11.344 17.589 25.003 335 HB3 HIS 57 HB2 HIS 57 13.786 19.228 25.721 336 HD1 HIS 57 HD1 HIS 57 13.269 21.796 25.875 337 HD2 HIS 57 HD2 HIS 57 10.314 19.521 24.046 338 HE1 HIS 57 HE1 HIS 57 11.782 23.447 24.696 339 H ASP 58 H ASP 58 14.610 16.915 24.062 340 HA ASP 58 HA ASP 58 14.501 18.317 21.561 341 HB3 ASP 58 HB2 ASP 58 16.412 16.072 21.929 342 H SER 59 H SER 59 13.563 15.190 22.700 343 HA SER 59 HA SER 59 13.638 13.692 20.355 344 HB3 SER 59 HB2 SER 59 11.272 13.215 22.044 345 HG SER 59 HG SER 59 13.520 11.548 21.731 346 H ALA 60 H ALA 60 10.979 15.671 21.650 347 HA ALA 60 HA ALA 60 9.151 15.225 19.584 348 HB1 ALA 60 HB1 ALA 60 7.867 16.492 20.875 349 HB2 ALA 60 HB2 ALA 60 9.265 16.799 21.906 350 HB3 ALA 60 HB3 ALA 60 8.889 17.899 20.580 351 H GLU 61 H GLU 61 11.966 17.243 19.725 352 HA GLU 61 HA GLU 61 11.221 18.822 17.419 353 HB3 GLU 61 HB2 GLU 61 13.901 19.270 17.793 354 HG3 GLU 61 HG2 GLU 61 12.111 20.982 17.729 355 H LYS 62 H LYS 62 14.135 16.868 18.048 356 HA LYS 62 HA LYS 62 14.661 16.468 15.288 357 HB3 LYS 62 HB2 LYS 62 15.999 14.453 16.697 358 HG3 LYS 62 HG2 LYS 62 16.797 16.316 15.023 359 HD3 LYS 62 HD2 LYS 62 17.950 17.411 17.562 360 HE3 LYS 62 HE2 LYS 62 17.528 18.589 14.816 361 HZ1 LYS 62 HZ1 LYS 62 17.655 20.344 16.354 362 HZ2 LYS 62 HZ2 LYS 62 19.210 20.214 15.703 363 HZ3 LYS 62 HZ3 LYS 62 18.884 19.601 17.247 364 H GLY 63 H GLY 63 15.002 14.157 14.429 365 HA2 GLY 63 HA2 GLY 63 13.147 12.169 15.402 366 HA3 GLY 63 HA3 GLY 63 12.651 12.923 13.894 367 H LYS 64 H LYS 64 15.262 11.105 15.434 368 HA LYS 64 HA LYS 64 16.316 10.359 12.814 369 HB3 LYS 64 HB2 LYS 64 18.174 9.355 14.079 370 HG3 LYS 64 HG2 LYS 64 18.754 11.521 15.492 371 HD3 LYS 64 HD2 LYS 64 18.931 12.528 12.913 372 HE3 LYS 64 HE2 LYS 64 21.211 11.423 12.960 373 HZ1 LYS 64 HZ1 LYS 64 21.730 13.287 14.004 374 HZ2 LYS 64 HZ2 LYS 64 21.340 12.577 15.488 375 HZ3 LYS 64 HZ3 LYS 64 20.164 13.435 14.626 376 H ASP 65 H ASP 65 17.224 7.920 12.966 377 HA ASP 65 HA ASP 65 15.255 6.124 14.123 378 HB3 ASP 65 HB2 ASP 65 14.378 6.821 11.860 379 H ASN 66 H ASN 66 15.867 3.806 13.727 380 HA ASN 66 HA ASN 66 17.372 2.108 13.894 381 HB3 ASN 66 HB2 ASN 66 19.574 3.521 12.533 382 HD21 ASN 66 HD21 ASN 66 18.231 1.869 10.195 383 HD22 ASN 66 HD22 ASN 66 18.844 0.280 10.494 384 H ALA 67 H ALA 67 19.495 1.500 14.840 385 HA ALA 67 HA ALA 67 21.165 3.344 16.144 386 HB1 ALA 67 HB1 ALA 67 18.825 3.382 17.415 387 HB2 ALA 67 HB2 ALA 67 19.559 2.006 18.239 388 HB3 ALA 67 HB3 ALA 67 20.365 3.573 18.255 389 H GLU 68 H GLU 68 22.055 1.990 18.316 390 HA GLU 68 HA GLU 68 22.332 -0.820 17.801 391 HB3 GLU 68 HB2 GLU 68 25.025 0.196 17.802 392 HG3 GLU 68 HG2 GLU 68 23.383 -1.639 16.167 393 H GLY 69 H GLY 69 23.613 2.037 19.458 394 HA2 GLY 69 HA2 GLY 69 24.316 2.354 21.619 395 HA3 GLY 69 HA3 GLY 69 23.137 1.118 22.032 396 H GLN 70 H GLN 70 24.880 0.807 23.730 397 HA GLN 70 HA GLN 70 26.467 -0.542 24.644 398 HB3 GLN 70 HB2 GLN 70 26.842 -2.693 23.694 399 HG3 GLN 70 HG2 GLN 70 24.122 -2.020 22.631 400 HE21 GLN 70 HE21 GLN 70 22.685 -3.769 22.749 401 HE22 GLN 70 HE22 GLN 70 23.252 -5.397 22.861 402 H GLY 71 H GLY 71 28.144 0.919 24.711 403 HA2 GLY 71 HA2 GLY 71 30.579 0.657 24.042 404 HA3 GLY 71 HA3 GLY 71 29.988 0.899 22.405 405 H GLU 72 H GLU 72 31.920 2.553 23.222 406 HA GLU 72 HA GLU 72 31.136 4.876 24.579 407 HB3 GLU 72 HB2 GLU 72 33.489 4.210 24.060 408 HG3 GLU 72 HG2 GLU 72 33.543 5.649 21.530 409 H SER 73 H SER 73 31.645 7.044 23.033 410 HA SER 73 HA SER 73 30.682 8.533 21.608 411 HB3 SER 73 HB2 SER 73 30.404 7.878 19.421 412 HG SER 73 HG SER 73 31.872 6.328 19.029 413 H LEU 74 H LEU 74 29.073 9.392 22.827 414 HA LEU 74 HA LEU 74 26.739 8.166 23.677 415 HB3 LEU 74 HB2 LEU 74 27.253 11.060 23.015 416 HG LEU 74 HG LEU 74 24.823 10.716 23.208 417 HD11 LEU 74 HD11 LEU 74 25.669 9.242 25.631 418 HD12 LEU 74 HD12 LEU 74 24.329 8.940 24.525 419 HD13 LEU 74 HD13 LEU 74 24.197 10.205 25.746 420 HD21 LEU 74 HD21 LEU 74 25.349 12.834 23.898 421 HD22 LEU 74 HD22 LEU 74 26.370 12.271 25.222 422 HD23 LEU 74 HD23 LEU 74 24.614 12.199 25.369 423 H ALA 75 H ALA 75 27.552 9.474 20.567 424 HA ALA 75 HA ALA 75 25.079 9.970 19.444 425 HB1 ALA 75 HB1 ALA 75 26.524 10.485 17.829 426 HB2 ALA 75 HB2 ALA 75 27.748 9.386 18.468 427 HB3 ALA 75 HB3 ALA 75 26.493 8.775 17.391 428 H ASP 76 H ASP 76 26.585 6.913 20.188 429 HA ASP 76 HA ASP 76 24.758 5.335 18.631 430 HB3 ASP 76 HB2 ASP 76 26.071 3.920 20.812 431 H GLN 77 H GLN 77 24.996 6.393 21.974 432 HA GLN 77 HA GLN 77 22.847 4.745 22.906 433 HB3 GLN 77 HB2 GLN 77 23.081 6.804 24.728 434 HG3 GLN 77 HG2 GLN 77 25.132 5.007 25.379 435 HE21 GLN 77 HE21 GLN 77 24.896 5.107 27.483 436 HE22 GLN 77 HE22 GLN 77 23.405 5.044 28.353 437 H ALA 78 H ALA 78 23.131 7.899 21.485 438 HA ALA 78 HA ALA 78 20.588 8.889 22.318 439 HB1 ALA 78 HB1 ALA 78 21.552 10.752 21.593 440 HB2 ALA 78 HB2 ALA 78 22.815 9.836 20.770 441 HB3 ALA 78 HB3 ALA 78 21.299 10.188 19.941 442 H ARG 79 H ARG 79 21.780 7.461 19.283 443 HA ARG 79 HA ARG 79 19.406 7.597 17.833 444 HB3 ARG 79 HB2 ARG 79 20.493 5.343 16.831 445 HG3 ARG 79 HG2 ARG 79 22.286 7.356 15.999 446 HD3 ARG 79 HD2 ARG 79 19.705 6.895 14.598 447 HE ARG 79 HE ARG 79 21.111 7.709 13.000 448 HH11 ARG 79 HH11 ARG 79 22.871 5.453 14.984 449 HH12 ARG 79 HH12 ARG 79 24.304 5.515 14.009 450 HH21 ARG 79 HH21 ARG 79 22.991 7.797 11.710 451 HH22 ARG 79 HH22 ARG 79 24.371 6.848 12.149 452 H ASP 80 H ASP 80 20.366 5.457 20.384 453 HA ASP 80 HA ASP 80 18.397 3.443 19.851 454 HB3 ASP 80 HB2 ASP 80 19.558 3.786 22.577 455 H TYR 81 H TYR 81 18.665 6.175 22.090 456 HA TYR 81 HA TYR 81 16.163 5.685 23.366 457 HB3 TYR 81 HB2 TYR 81 17.795 8.232 23.252 458 HD1 TYR 81 HD1 TYR 81 15.158 6.317 25.055 459 HD2 TYR 81 HD2 TYR 81 17.084 10.072 24.501 460 HE1 TYR 81 HE1 TYR 81 13.464 7.390 26.480 461 HE2 TYR 81 HE2 TYR 81 15.396 11.154 25.926 462 HH TYR 81 HH TYR 81 13.141 9.347 27.801 463 H MET 82 H MET 82 17.234 7.812 20.750 464 HA MET 82 HA MET 82 14.822 9.219 20.417 465 HB3 MET 82 HB2 MET 82 15.830 9.291 17.929 466 HG3 MET 82 HG2 MET 82 17.499 11.042 18.809 467 HE1 MET 82 HE1 MET 82 16.391 13.441 20.225 468 HE2 MET 82 HE2 MET 82 16.848 13.561 18.526 469 HE3 MET 82 HE3 MET 82 15.298 14.204 19.070 470 H GLY 83 H GLY 83 16.105 6.447 18.564 471 HA2 GLY 83 HA2 GLY 83 13.892 6.043 16.926 472 HA3 GLY 83 HA3 GLY 83 15.031 4.789 17.399 473 H ALA 84 H ALA 84 14.438 5.026 20.241 474 HA ALA 84 HA ALA 84 12.447 3.092 20.480 475 HB1 ALA 84 HB1 ALA 84 14.090 3.432 22.214 476 HB2 ALA 84 HB2 ALA 84 13.457 5.045 22.544 477 HB3 ALA 84 HB3 ALA 84 12.472 3.623 22.893 478 H ALA 85 H ALA 85 12.247 6.605 20.986 479 HA ALA 85 HA ALA 85 9.576 6.728 21.792 480 HB1 ALA 85 HB1 ALA 85 10.336 8.799 22.103 481 HB2 ALA 85 HB2 ALA 85 11.606 8.600 20.895 482 HB3 ALA 85 HB3 ALA 85 9.981 9.074 20.397 483 H LYS 86 H LYS 86 11.003 6.799 18.555 484 HA LYS 86 HA LYS 86 8.785 7.427 17.039 485 HB3 LYS 86 HB2 LYS 86 9.872 6.298 15.191 486 HG3 LYS 86 HG2 LYS 86 12.095 7.224 15.238 487 HD3 LYS 86 HD2 LYS 86 10.206 9.006 16.776 488 HE3 LYS 86 HE2 LYS 86 11.397 10.795 15.481 489 HZ1 LYS 86 HZ1 LYS 86 13.037 9.201 17.375 490 HZ2 LYS 86 HZ2 LYS 86 11.965 10.443 17.780 491 HZ3 LYS 86 HZ3 LYS 86 13.372 10.792 16.907 492 H SER 87 H SER 87 9.892 4.149 17.907 493 HA SER 87 HA SER 87 7.726 2.770 16.803 494 HB3 SER 87 HB2 SER 87 9.071 1.764 19.288 495 HG SER 87 HG SER 87 8.727 -0.142 18.347 496 H LYS 88 H LYS 88 8.217 4.032 20.079 497 HA LYS 88 HA LYS 88 5.873 3.025 21.234 498 HB3 LYS 88 HB2 LYS 88 6.149 4.927 22.863 499 HG3 LYS 88 HG2 LYS 88 8.489 4.302 23.595 500 HD3 LYS 88 HD2 LYS 88 7.555 1.685 23.498 501 HE3 LYS 88 HE2 LYS 88 7.028 3.948 25.412 502 HZ1 LYS 88 HZ1 LYS 88 6.716 1.099 26.106 503 HZ2 LYS 88 HZ2 LYS 88 5.405 1.984 25.508 504 HZ3 LYS 88 HZ3 LYS 88 6.165 2.462 26.942 505 H LEU 89 H LEU 89 6.476 5.961 19.381 506 HA LEU 89 HA LEU 89 4.006 7.223 19.843 507 HB3 LEU 89 HB2 LEU 89 4.988 7.736 17.190 508 HG LEU 89 HG LEU 89 5.165 9.959 17.800 509 HD11 LEU 89 HD11 LEU 89 2.901 8.657 18.453 510 HD12 LEU 89 HD12 LEU 89 3.102 10.405 18.582 511 HD13 LEU 89 HD13 LEU 89 3.302 9.386 20.008 512 HD21 LEU 89 HD21 LEU 89 5.782 10.805 19.890 513 HD22 LEU 89 HD22 LEU 89 6.788 9.370 19.692 514 HD23 LEU 89 HD23 LEU 89 5.359 9.310 20.725 515 H ASN 90 H ASN 90 5.070 5.268 17.055 516 HA ASN 90 HA ASN 90 2.679 5.236 15.658 517 HB3 ASN 90 HB2 ASN 90 4.101 2.674 15.576 518 HD21 ASN 90 HD21 ASN 90 5.118 5.140 13.460 519 HD22 ASN 90 HD22 ASN 90 4.093 4.741 12.127 520 H ASP 91 H ASP 91 3.597 3.493 18.518 521 HA ASP 91 HA ASP 91 1.527 1.528 18.380 522 HB3 ASP 91 HB2 ASP 91 2.469 2.118 21.070 523 H ALA 92 H ALA 92 1.880 4.684 19.906 524 HA ALA 92 HA ALA 92 -0.658 4.519 21.262 525 HB1 ALA 92 HB1 ALA 92 0.209 6.155 22.481 526 HB2 ALA 92 HB2 ALA 92 1.639 6.143 21.447 527 HB3 ALA 92 HB3 ALA 92 0.284 7.207 21.067 528 H VAL 93 H VAL 93 0.631 6.298 18.468 529 HA VAL 93 HA VAL 93 -1.584 7.798 17.795 530 HB VAL 93 HB VAL 93 0.233 6.451 15.796 531 HG11 VAL 93 HG11 VAL 93 -1.825 7.584 14.940 532 HG12 VAL 93 HG12 VAL 93 -1.203 9.092 15.610 533 HG13 VAL 93 HG13 VAL 93 -0.313 8.259 14.335 534 HG21 VAL 93 HG21 VAL 93 1.055 9.100 16.276 535 HG22 VAL 93 HG22 VAL 93 0.865 8.335 17.854 536 HG23 VAL 93 HG23 VAL 93 1.926 7.612 16.646 537 H GLU 94 H GLU 94 -0.762 4.562 16.535 538 HA GLU 94 HA GLU 94 -2.974 4.120 14.963 539 HB3 GLU 94 HB2 GLU 94 -2.377 1.688 16.347 540 HG3 GLU 94 HG2 GLU 94 -0.877 1.773 13.987 541 H TYR 95 H TYR 95 -2.677 3.814 18.455 542 HA TYR 95 HA TYR 95 -5.270 2.646 18.810 543 HB3 TYR 95 HB2 TYR 95 -3.520 4.019 20.861 544 HD1 TYR 95 HD1 TYR 95 -5.617 4.817 21.982 545 HD2 TYR 95 HD2 TYR 95 -4.822 0.687 21.336 546 HE1 TYR 95 HE1 TYR 95 -7.306 4.234 23.672 547 HE2 TYR 95 HE2 TYR 95 -6.510 0.093 23.023 548 HH TYR 95 HH TYR 95 -7.624 2.020 25.268 549 H VAL 96 H VAL 96 -3.902 5.893 19.073 550 HA VAL 96 HA VAL 96 -6.198 7.154 20.125 551 HB VAL 96 HB VAL 96 -4.073 8.414 18.388 552 HG11 VAL 96 HG11 VAL 96 -6.212 9.686 18.855 553 HG12 VAL 96 HG12 VAL 96 -5.718 9.706 20.549 554 HG13 VAL 96 HG13 VAL 96 -4.713 10.484 19.326 555 HG21 VAL 96 HG21 VAL 96 -3.903 7.266 21.026 556 HG22 VAL 96 HG22 VAL 96 -2.627 7.946 20.015 557 HG23 VAL 96 HG23 VAL 96 -3.568 8.998 21.073 558 H SER 97 H SER 97 -4.976 6.941 16.786 559 HA SER 97 HA SER 97 -7.078 8.339 15.573 560 HB3 SER 97 HB2 SER 97 -6.076 6.263 13.837 561 HG SER 97 HG SER 97 -4.924 8.588 13.367 562 H GLY 98 H GLY 98 -6.816 5.036 16.652 563 HA2 GLY 98 HA2 GLY 98 -9.152 4.140 15.208 564 HA3 GLY 98 HA3 GLY 98 -8.246 3.223 16.403 565 H ARG 99 H ARG 99 -8.517 5.606 18.269 566 HA ARG 99 HA ARG 99 -11.069 4.766 19.388 567 HB3 ARG 99 HB2 ARG 99 -10.066 6.622 21.133 568 HG3 ARG 99 HG2 ARG 99 -8.730 4.123 21.609 569 HD3 ARG 99 HD2 ARG 99 -11.216 5.269 22.868 570 HE ARG 99 HE ARG 99 -9.527 3.078 23.609 571 HH11 ARG 99 HH11 ARG 99 -11.555 5.632 24.827 572 HH12 ARG 99 HH12 ARG 99 -11.904 4.821 26.318 573 HH21 ARG 99 HH21 ARG 99 -9.978 2.002 25.569 574 HH22 ARG 99 HH22 ARG 99 -11.005 2.757 26.739 575 H VAL 100 H VAL 100 -9.482 7.724 18.264 576 HA VAL 100 HA VAL 100 -11.365 9.616 18.930 577 HB VAL 100 HB VAL 100 -9.140 10.015 17.795 578 HG11 VAL 100 HG11 VAL 100 -9.938 8.396 15.869 579 HG12 VAL 100 HG12 VAL 100 -10.549 9.901 15.179 580 HG13 VAL 100 HG13 VAL 100 -8.832 9.731 15.549 581 HG21 VAL 100 HG21 VAL 100 -11.620 11.435 16.848 582 HG22 VAL 100 HG22 VAL 100 -10.572 11.873 18.197 583 HG23 VAL 100 HG23 VAL 100 -9.986 12.023 16.540 584 H HIS 101 H HIS 101 -11.464 7.242 16.360 585 HA HIS 101 HA HIS 101 -13.454 8.251 14.735 586 HB3 HIS 101 HB2 HIS 101 -13.332 5.335 15.472 587 HD1 HIS 101 HD1 HIS 101 -15.166 4.322 14.168 588 HD2 HIS 101 HD2 HIS 101 -13.320 7.409 12.088 589 HE1 HIS 101 HE1 HIS 101 -16.285 4.379 11.917 590 H GLY 102 H GLY 102 -13.706 6.830 17.913 591 HA2 GLY 102 HA2 GLY 102 -16.426 6.189 17.965 592 HA3 GLY 102 HA3 GLY 102 -15.470 6.648 19.367 593 H GLU 103 H GLU 103 -14.849 9.288 18.106 594 HA GLU 103 HA GLU 103 -17.441 10.563 18.676 595 HB3 GLU 103 HB2 GLU 103 -14.710 11.820 18.940 596 HG3 GLU 103 HG2 GLU 103 -17.413 12.619 19.987 597 H GLU 104 H GLU 104 -18.008 12.459 17.481 598 HA GLU 104 HA GLU 104 -17.667 12.232 14.722 599 HB3 GLU 104 HB2 GLU 104 -18.279 14.946 15.362 600 HG3 GLU 104 HG2 GLU 104 -19.508 12.713 14.023 601 H ASP 105 H ASP 105 -15.720 12.345 13.785 602 HA ASP 105 HA ASP 105 -14.363 14.825 13.590 603 HB3 ASP 105 HB2 ASP 105 -12.172 13.515 14.538 604 HA PRO 106 HA PRO 106 -12.816 12.974 9.928 605 HB3 PRO 106 HB2 PRO 106 -11.927 15.021 9.380 606 HG3 PRO 106 HG2 PRO 106 -10.973 16.387 11.004 607 HD3 PRO 106 HD2 PRO 106 -12.981 15.896 12.027 608 H THR 107 H THR 107 -11.895 11.085 9.422 609 HA THR 107 HA THR 107 -9.367 10.263 10.520 610 HB THR 107 HB THR 107 -11.648 8.403 11.122 611 HG1 THR 107 HG1 THR 107 -12.234 10.064 12.401 612 HG21 THR 107 HG21 THR 107 -9.746 7.191 11.442 613 HG22 THR 107 HG22 THR 107 -9.822 7.969 13.022 614 HG23 THR 107 HG23 THR 107 -8.762 8.616 11.771 615 H LYS 108 H LYS 108 -8.645 8.180 9.634 616 HA LYS 108 HA LYS 108 -10.074 6.811 7.622 617 HB3 LYS 108 HB2 LYS 108 -7.889 8.554 6.496 618 HG3 LYS 108 HG2 LYS 108 -8.656 6.509 5.240 619 HD3 LYS 108 HD2 LYS 108 -11.157 8.174 4.946 620 HE3 LYS 108 HE2 LYS 108 -10.847 5.434 3.828 621 HZ1 LYS 108 HZ1 LYS 108 -12.117 7.242 2.129 622 HZ2 LYS 108 HZ2 LYS 108 -12.714 7.526 3.685 623 HZ3 LYS 108 HZ3 LYS 108 -12.815 5.978 3.011 624 H LYS 109 H LYS 109 -8.541 6.091 9.844 625 HA LYS 109 HA LYS 109 -6.946 4.044 8.798 626 HB3 LYS 109 HB2 LYS 109 -5.306 5.653 8.187 627 HG3 LYS 109 HG2 LYS 109 -6.151 7.039 10.582 628 HD3 LYS 109 HD2 LYS 109 -3.925 6.039 11.313 629 HE3 LYS 109 HE2 LYS 109 -3.090 6.861 8.823 630 HZ1 LYS 109 HZ1 LYS 109 -3.015 9.171 9.663 631 HZ2 LYS 109 HZ2 LYS 109 -1.505 8.590 9.169 632 HZ3 LYS 109 HZ3 LYS 109 -1.874 8.692 10.816 Start of MODEL 18 1 H1 MET 1 H MET 1 28.302 -54.260 80.589 2 HA MET 1 HA MET 1 30.085 -55.171 79.063 3 HB3 MET 1 HB2 MET 1 29.455 -56.870 77.504 4 HG3 MET 1 HG2 MET 1 29.390 -57.376 80.266 5 HE1 MET 1 HE1 MET 1 27.453 -61.046 80.303 6 HE2 MET 1 HE2 MET 1 29.056 -60.548 79.760 7 HE3 MET 1 HE3 MET 1 28.504 -60.129 81.383 8 H SER 2 H SER 2 30.217 -53.189 78.173 9 HA SER 2 HA SER 2 28.790 -52.605 75.808 10 HB3 SER 2 HB2 SER 2 26.951 -51.610 76.623 11 HG SER 2 HG SER 2 26.597 -51.428 78.815 12 H ASP 3 H ASP 3 29.165 -50.150 75.227 13 HA ASP 3 HA ASP 3 31.348 -48.791 76.389 14 HB3 ASP 3 HB2 ASP 3 32.227 -49.793 73.741 15 H ALA 4 H ALA 4 32.266 -47.127 74.708 16 HA ALA 4 HA ALA 4 30.673 -46.401 72.490 17 HB1 ALA 4 HB1 ALA 4 29.200 -45.904 74.581 18 HB2 ALA 4 HB2 ALA 4 30.238 -44.487 74.741 19 HB3 ALA 4 HB3 ALA 4 29.294 -44.726 73.271 20 H GLY 5 H GLY 5 31.077 -43.891 72.026 21 HA2 GLY 5 HA2 GLY 5 33.007 -42.285 72.828 22 HA3 GLY 5 HA3 GLY 5 33.984 -43.595 72.181 23 H ARG 6 H ARG 6 34.032 -40.926 71.241 24 HA ARG 6 HA ARG 6 32.464 -40.704 68.856 25 HB3 ARG 6 HB2 ARG 6 33.632 -38.671 68.460 26 HG3 ARG 6 HG2 ARG 6 33.754 -38.820 71.448 27 HD3 ARG 6 HD2 ARG 6 32.716 -36.648 69.644 28 HE ARG 6 HE ARG 6 32.139 -35.930 71.747 29 HH11 ARG 6 HH11 ARG 6 35.394 -37.166 71.788 30 HH12 ARG 6 HH12 ARG 6 35.730 -36.595 73.390 31 HH21 ARG 6 HH21 ARG 6 32.569 -35.175 73.857 32 HH22 ARG 6 HH22 ARG 6 34.121 -35.466 74.566 33 H LYS 7 H LYS 7 33.261 -40.699 66.691 34 HA LYS 7 HA LYS 7 35.666 -42.360 66.311 35 HB3 LYS 7 HB2 LYS 7 33.650 -42.437 64.172 36 HG3 LYS 7 HG2 LYS 7 35.096 -44.581 65.713 37 HD3 LYS 7 HD2 LYS 7 34.361 -45.777 63.438 38 HE3 LYS 7 HE2 LYS 7 32.117 -45.874 65.266 39 HZ1 LYS 7 HZ1 LYS 7 32.380 -48.024 64.857 40 HZ2 LYS 7 HZ2 LYS 7 33.977 -48.024 65.414 41 HZ3 LYS 7 HZ3 LYS 7 33.644 -47.621 63.806 42 H GLY 8 H GLY 8 36.343 -42.202 63.852 43 HA2 GLY 8 HA2 GLY 8 36.986 -39.417 63.429 44 HA3 GLY 8 HA3 GLY 8 37.572 -40.781 62.489 45 H PHE 9 H PHE 9 34.651 -41.643 62.222 46 HA PHE 9 HA PHE 9 34.168 -40.114 59.798 47 HB3 PHE 9 HB2 PHE 9 32.133 -42.079 60.376 48 HD1 PHE 9 HD2 PHE 9 32.003 -40.502 58.173 49 HD2 PHE 9 HD1 PHE 9 34.596 -43.830 58.737 50 HE1 PHE 9 HE2 PHE 9 32.187 -40.768 55.733 51 HE2 PHE 9 HE1 PHE 9 34.785 -44.102 56.299 52 HZ PHE 9 HZ PHE 9 33.578 -42.570 54.793 53 H GLY 10 H GLY 10 32.961 -40.361 63.025 54 HA2 GLY 10 HA2 GLY 10 30.347 -39.438 62.733 55 HA3 GLY 10 HA3 GLY 10 31.350 -39.179 64.152 56 H GLU 11 H GLU 11 33.239 -37.484 63.479 57 HA GLU 11 HA GLU 11 32.036 -34.994 63.431 58 HB3 GLU 11 HB2 GLU 11 34.624 -34.750 62.253 59 HG3 GLU 11 HG2 GLU 11 34.599 -34.552 65.140 60 H LYS 12 H LYS 12 33.634 -36.678 60.730 61 HA LYS 12 HA LYS 12 33.131 -34.741 58.773 62 HB3 LYS 12 HB2 LYS 12 33.669 -36.431 57.159 63 HG3 LYS 12 HG2 LYS 12 35.291 -37.659 59.251 64 HD3 LYS 12 HD2 LYS 12 36.352 -35.804 57.187 65 HE3 LYS 12 HE2 LYS 12 37.975 -37.642 56.910 66 HZ1 LYS 12 HZ1 LYS 12 39.100 -36.683 58.537 67 HZ2 LYS 12 HZ2 LYS 12 38.224 -37.543 59.701 68 HZ3 LYS 12 HZ3 LYS 12 37.671 -36.036 59.170 69 H ALA 13 H ALA 13 31.239 -37.581 59.742 70 HA ALA 13 HA ALA 13 29.246 -37.506 57.832 71 HB1 ALA 13 HB1 ALA 13 29.509 -38.571 60.552 72 HB2 ALA 13 HB2 ALA 13 27.850 -38.267 60.034 73 HB3 ALA 13 HB3 ALA 13 28.889 -39.332 59.087 74 H SER 14 H SER 14 29.244 -35.877 61.004 75 HA SER 14 HA SER 14 26.788 -34.559 60.673 76 HB3 SER 14 HB2 SER 14 28.927 -33.231 62.266 77 HG SER 14 HG SER 14 26.210 -33.930 62.630 78 H GLU 15 H GLU 15 29.980 -33.835 59.514 79 HA GLU 15 HA GLU 15 29.423 -31.092 58.867 80 HB3 GLU 15 HB2 GLU 15 31.589 -31.368 57.506 81 HG3 GLU 15 HG2 GLU 15 32.564 -32.141 60.071 82 H ALA 16 H ALA 16 29.366 -34.173 57.180 83 HA ALA 16 HA ALA 16 29.084 -33.168 54.559 84 HB1 ALA 16 HB1 ALA 16 27.985 -35.780 55.573 85 HB2 ALA 16 HB2 ALA 16 28.474 -35.377 53.927 86 HB3 ALA 16 HB3 ALA 16 29.688 -35.520 55.198 87 H LEU 17 H LEU 17 26.723 -34.011 57.053 88 HA LEU 17 HA LEU 17 24.463 -33.486 55.362 89 HB3 LEU 17 HB2 LEU 17 24.229 -35.097 57.118 90 HG LEU 17 HG LEU 17 25.823 -33.725 58.750 91 HD11 LEU 17 HD11 LEU 17 24.839 -32.295 60.185 92 HD12 LEU 17 HD12 LEU 17 23.315 -33.183 60.197 93 HD13 LEU 17 HD13 LEU 17 23.689 -32.090 58.864 94 HD21 LEU 17 HD21 LEU 17 23.895 -35.878 59.049 95 HD22 LEU 17 HD22 LEU 17 24.221 -35.041 60.568 96 HD23 LEU 17 HD23 LEU 17 25.549 -35.747 59.647 97 H LYS 18 H LYS 18 26.216 -31.751 57.884 98 HA LYS 18 HA LYS 18 24.529 -29.611 58.320 99 HB3 LYS 18 HB2 LYS 18 27.077 -28.484 58.309 100 HG3 LYS 18 HG2 LYS 18 26.478 -29.990 60.736 101 HD3 LYS 18 HD2 LYS 18 26.646 -27.039 60.113 102 HE3 LYS 18 HE2 LYS 18 25.622 -28.223 62.368 103 HZ1 LYS 18 HZ1 LYS 18 27.505 -27.512 63.985 104 HZ2 LYS 18 HZ2 LYS 18 28.522 -27.874 62.683 105 HZ3 LYS 18 HZ3 LYS 18 27.508 -29.069 63.323 106 HA PRO 19 HA PRO 19 24.417 -27.139 54.697 107 HB3 PRO 19 HB2 PRO 19 23.097 -25.662 55.860 108 HG3 PRO 19 HG2 PRO 19 23.506 -25.195 58.101 109 HD3 PRO 19 HD2 PRO 19 23.518 -27.500 58.165 110 H ASP 20 H ASP 20 25.521 -24.879 53.908 111 HA ASP 20 HA ASP 20 28.181 -24.352 54.578 112 HB3 ASP 20 HB2 ASP 20 28.494 -25.635 51.996 113 H SER 21 H SER 21 29.319 -23.567 52.250 114 HA SER 21 HA SER 21 28.097 -21.158 51.667 115 HB3 SER 21 HB2 SER 21 29.843 -20.795 50.238 116 HG SER 21 HG SER 21 30.642 -22.050 52.124 117 H GLN 22 H GLN 22 26.046 -21.021 50.983 118 HA GLN 22 HA GLN 22 25.203 -22.709 48.728 119 HB3 GLN 22 HB2 GLN 22 23.130 -21.124 50.056 120 HG3 GLN 22 HG2 GLN 22 23.493 -24.020 49.371 121 HE21 GLN 22 HE21 GLN 22 23.086 -24.747 51.523 122 HE22 GLN 22 HE22 GLN 22 21.479 -24.742 52.155 123 H LYS 23 H LYS 23 23.111 -21.299 47.733 124 HA LYS 23 HA LYS 23 24.325 -18.770 46.830 125 HB3 LYS 23 HB2 LYS 23 24.518 -20.202 44.972 126 HG3 LYS 23 HG2 LYS 23 22.264 -21.285 44.115 127 HD3 LYS 23 HD2 LYS 23 23.273 -23.010 46.204 128 HE3 LYS 23 HE2 LYS 23 24.108 -24.277 44.226 129 HZ1 LYS 23 HZ1 LYS 23 21.359 -23.457 43.598 130 HZ2 LYS 23 HZ2 LYS 23 21.667 -24.217 45.077 131 HZ3 LYS 23 HZ3 LYS 23 22.037 -25.006 43.628 132 H SER 24 H SER 24 22.905 -18.205 48.821 133 HA SER 24 HA SER 24 20.539 -16.937 47.802 134 HB3 SER 24 HB2 SER 24 18.900 -18.005 49.140 135 HG SER 24 HG SER 24 18.981 -20.081 48.390 136 H TYR 25 H TYR 25 19.280 -16.227 50.109 137 HA TYR 25 HA TYR 25 20.718 -14.094 51.063 138 HB3 TYR 25 HB2 TYR 25 18.959 -15.242 53.102 139 HD1 TYR 25 HD1 TYR 25 18.685 -12.761 50.314 140 HD2 TYR 25 HD2 TYR 25 18.700 -13.442 54.514 141 HE1 TYR 25 HE1 TYR 25 18.247 -10.370 50.697 142 HE2 TYR 25 HE2 TYR 25 18.263 -11.055 54.908 143 HH TYR 25 HH TYR 25 18.529 -8.706 52.451 144 H ALA 26 H ALA 26 20.742 -17.410 52.195 145 HA ALA 26 HA ALA 26 21.947 -17.166 54.662 146 HB1 ALA 26 HB1 ALA 26 21.479 -19.252 52.791 147 HB2 ALA 26 HB2 ALA 26 23.140 -19.388 53.370 148 HB3 ALA 26 HB3 ALA 26 21.803 -19.374 54.519 149 H GLU 27 H GLU 27 23.507 -17.288 51.474 150 HA GLU 27 HA GLU 27 26.146 -17.004 52.573 151 HB3 GLU 27 HB2 GLU 27 26.225 -16.311 49.856 152 HG3 GLU 27 HG2 GLU 27 26.437 -19.175 50.477 153 H GLN 28 H GLN 28 23.753 -14.879 51.111 154 HA GLN 28 HA GLN 28 25.303 -12.614 50.694 155 HB3 GLN 28 HB2 GLN 28 23.218 -11.343 50.829 156 HG3 GLN 28 HG2 GLN 28 22.455 -13.982 49.639 157 HE21 GLN 28 HE21 GLN 28 20.582 -13.807 48.659 158 HE22 GLN 28 HE22 GLN 28 19.861 -12.347 48.084 159 H GLY 29 H GLY 29 23.414 -13.483 53.590 160 HA2 GLY 29 HA2 GLY 29 24.140 -11.260 55.138 161 HA3 GLY 29 HA3 GLY 29 23.601 -12.807 55.774 162 H LYS 30 H LYS 30 25.544 -14.536 55.133 163 HA LYS 30 HA LYS 30 27.489 -14.175 57.052 164 HB3 LYS 30 HB2 LYS 30 28.742 -15.974 55.913 165 HG3 LYS 30 HG2 LYS 30 25.775 -16.275 56.163 166 HD3 LYS 30 HD2 LYS 30 27.181 -17.843 54.429 167 HE3 LYS 30 HE2 LYS 30 27.112 -19.270 57.088 168 HZ1 LYS 30 HZ1 LYS 30 28.553 -20.621 55.109 169 HZ2 LYS 30 HZ2 LYS 30 27.028 -20.261 54.472 170 HZ3 LYS 30 HZ3 LYS 30 27.157 -21.130 55.917 171 H GLU 31 H GLU 31 27.925 -13.768 53.533 172 HA GLU 31 HA GLU 31 30.533 -12.749 53.670 173 HB3 GLU 31 HB2 GLU 31 30.047 -11.837 51.383 174 HG3 GLU 31 HG2 GLU 31 28.848 -14.483 51.141 175 H TYR 32 H TYR 32 27.445 -11.247 54.169 176 HA TYR 32 HA TYR 32 28.207 -8.557 53.781 177 HB3 TYR 32 HB2 TYR 32 26.057 -9.598 55.634 178 HD1 TYR 32 HD2 TYR 32 26.177 -7.671 57.115 179 HD2 TYR 32 HD1 TYR 32 25.656 -7.176 52.921 180 HE1 TYR 32 HE2 TYR 32 25.513 -5.331 57.479 181 HE2 TYR 32 HE1 TYR 32 24.992 -4.835 53.274 182 HH TYR 32 HH TYR 32 23.910 -3.527 55.387 183 H ILE 33 H ILE 33 28.112 -10.611 56.668 184 HA ILE 33 HA ILE 33 29.012 -8.564 58.439 185 HB ILE 33 HB ILE 33 29.330 -11.502 58.979 186 HG13 ILE 33 HG12 ILE 33 27.121 -11.534 58.246 187 HG21 ILE 33 HG21 ILE 33 29.037 -10.888 61.256 188 HG22 ILE 33 HG22 ILE 33 30.190 -9.749 60.561 189 HG23 ILE 33 HG23 ILE 33 28.514 -9.263 60.818 190 HD11 ILE 33 HD11 ILE 33 27.396 -11.964 60.831 191 HD12 ILE 33 HD12 ILE 33 26.370 -10.533 60.932 192 HD13 ILE 33 HD13 ILE 33 25.812 -11.955 60.052 193 H THR 34 H THR 34 30.582 -11.141 56.621 194 HA THR 34 HA THR 34 33.129 -10.946 57.807 195 HB THR 34 HB THR 34 31.960 -12.426 55.683 196 HG1 THR 34 HG1 THR 34 33.119 -13.627 57.022 197 HG21 THR 34 HG21 THR 34 33.022 -10.850 54.139 198 HG22 THR 34 HG22 THR 34 33.785 -12.438 54.050 199 HG23 THR 34 HG23 THR 34 34.579 -11.127 54.922 200 H ASP 35 H ASP 35 31.580 -9.156 55.221 201 HA ASP 35 HA ASP 35 33.954 -7.852 54.311 202 HB3 ASP 35 HB2 ASP 35 31.439 -6.428 53.833 203 H LYS 36 H LYS 36 31.564 -7.216 56.767 204 HA LYS 36 HA LYS 36 32.254 -4.476 57.179 205 HB3 LYS 36 HB2 LYS 36 30.936 -4.702 59.264 206 HG3 LYS 36 HG2 LYS 36 28.887 -5.947 58.005 207 HD3 LYS 36 HD2 LYS 36 29.392 -3.289 56.902 208 HE3 LYS 36 HE2 LYS 36 27.311 -4.722 58.463 209 HZ1 LYS 36 HZ1 LYS 36 26.271 -2.861 59.244 210 HZ2 LYS 36 HZ2 LYS 36 27.037 -1.819 58.155 211 HZ3 LYS 36 HZ3 LYS 36 27.884 -2.415 59.493 212 H ALA 37 H ALA 37 33.126 -7.521 58.771 213 HA ALA 37 HA ALA 37 34.725 -6.347 60.794 214 HB1 ALA 37 HB1 ALA 37 34.923 -9.138 59.671 215 HB2 ALA 37 HB2 ALA 37 35.514 -8.580 61.237 216 HB3 ALA 37 HB3 ALA 37 33.781 -8.630 60.915 217 H ASP 38 H ASP 38 35.290 -7.100 57.469 218 HA ASP 38 HA ASP 38 38.165 -7.081 57.670 219 HB3 ASP 38 HB2 ASP 38 36.981 -6.611 55.019 220 H LYS 39 H LYS 39 35.646 -4.843 56.598 221 HA LYS 39 HA LYS 39 37.410 -2.809 55.713 222 HB3 LYS 39 HB2 LYS 39 35.124 -1.464 56.385 223 HG3 LYS 39 HG2 LYS 39 34.497 -2.796 53.982 224 HD3 LYS 39 HD2 LYS 39 36.070 -0.272 53.987 225 HE3 LYS 39 HE2 LYS 39 33.805 -1.488 52.524 226 HZ1 LYS 39 HZ1 LYS 39 32.654 0.413 53.235 227 HZ2 LYS 39 HZ2 LYS 39 33.234 0.806 51.695 228 HZ3 LYS 39 HZ3 LYS 39 34.008 1.414 53.071 229 H VAL 40 H VAL 40 35.555 -3.204 58.726 230 HA VAL 40 HA VAL 40 36.419 -0.880 60.007 231 HB VAL 40 HB VAL 40 34.565 -2.195 60.872 232 HG11 VAL 40 HG11 VAL 40 36.271 -4.233 62.140 233 HG12 VAL 40 HG12 VAL 40 34.654 -4.373 61.447 234 HG13 VAL 40 HG13 VAL 40 36.071 -4.382 60.395 235 HG21 VAL 40 HG21 VAL 40 36.865 -1.994 62.813 236 HG22 VAL 40 HG22 VAL 40 35.705 -0.723 62.426 237 HG23 VAL 40 HG23 VAL 40 35.169 -2.181 63.262 238 H ALA 41 H ALA 41 37.894 -4.072 59.795 239 HA ALA 41 HA ALA 41 39.982 -3.488 61.672 240 HB1 ALA 41 HB1 ALA 41 40.939 -5.620 60.953 241 HB2 ALA 41 HB2 ALA 41 39.220 -5.776 61.317 242 HB3 ALA 41 HB3 ALA 41 39.763 -5.707 59.640 243 H GLY 42 H GLY 42 39.817 -3.765 58.124 244 HA2 GLY 42 HA2 GLY 42 42.523 -3.153 57.636 245 HA3 GLY 42 HA3 GLY 42 41.212 -2.984 56.478 246 H LYS 43 H LYS 43 39.703 -1.096 58.058 247 HA LYS 43 HA LYS 43 40.794 1.302 57.103 248 HB3 LYS 43 HB2 LYS 43 39.107 2.129 59.093 249 HG3 LYS 43 HG2 LYS 43 37.302 2.124 57.446 250 HD3 LYS 43 HD2 LYS 43 39.207 2.882 55.508 251 HE3 LYS 43 HE2 LYS 43 38.714 5.163 56.888 252 HZ1 LYS 43 HZ1 LYS 43 37.226 3.687 54.849 253 HZ2 LYS 43 HZ2 LYS 43 37.953 5.214 54.766 254 HZ3 LYS 43 HZ3 LYS 43 36.466 5.025 55.552 255 H VAL 44 H VAL 44 41.431 -0.478 59.967 256 HA VAL 44 HA VAL 44 42.454 1.741 61.491 257 HB VAL 44 HB VAL 44 43.072 -1.144 62.061 258 HG11 VAL 44 HG11 VAL 44 43.250 1.408 63.469 259 HG12 VAL 44 HG12 VAL 44 42.480 0.131 64.411 260 HG13 VAL 44 HG13 VAL 44 44.101 -0.109 63.757 261 HG21 VAL 44 HG21 VAL 44 40.458 0.263 62.248 262 HG22 VAL 44 HG22 VAL 44 40.808 -1.424 61.874 263 HG23 VAL 44 HG23 VAL 44 40.902 -0.853 63.540 264 H GLN 45 H GLN 45 44.698 1.841 62.240 265 HA GLN 45 HA GLN 45 46.869 2.276 61.639 266 HB3 GLN 45 HB2 GLN 45 48.204 0.324 61.508 267 HG3 GLN 45 HG2 GLN 45 47.434 -1.098 63.205 268 HE21 GLN 45 HE21 GLN 45 48.586 0.304 64.474 269 HE22 GLN 45 HE22 GLN 45 47.865 1.622 65.324 270 HA PRO 46 HA PRO 46 45.947 2.648 57.103 271 HB3 PRO 46 HB2 PRO 46 44.829 4.631 57.416 272 HG3 PRO 46 HG2 PRO 46 45.215 5.942 59.298 273 HD3 PRO 46 HD2 PRO 46 44.866 3.897 60.303 274 H GLU 47 H GLU 47 47.445 4.404 55.672 275 HA GLU 47 HA GLU 47 49.923 3.139 55.456 276 HB3 GLU 47 HB2 GLU 47 49.877 5.907 54.485 277 HG3 GLU 47 HG2 GLU 47 49.770 3.664 52.595 278 H ASP 48 H ASP 48 48.885 5.689 57.519 279 HA ASP 48 HA ASP 48 51.493 6.758 58.058 280 HB3 ASP 48 HB2 ASP 48 49.040 7.062 59.788 281 H ASN 49 H ASN 49 52.235 4.392 58.378 282 HA ASN 49 HA ASN 49 52.768 4.046 61.155 283 HB3 ASN 49 HB2 ASN 49 51.495 1.580 60.161 284 HD21 ASN 49 HD21 ASN 49 49.645 3.225 62.395 285 HD22 ASN 49 HD22 ASN 49 50.307 2.546 63.839 286 H LYS 50 H LYS 50 53.607 1.470 61.268 287 HA LYS 50 HA LYS 50 55.811 1.482 59.346 288 HB3 LYS 50 HB2 LYS 50 56.526 1.338 61.622 289 HG3 LYS 50 HG2 LYS 50 54.193 -0.237 62.015 290 HD3 LYS 50 HD2 LYS 50 56.363 -1.571 63.485 291 HE3 LYS 50 HE2 LYS 50 54.109 -2.817 61.943 292 HZ1 LYS 50 HZ1 LYS 50 56.033 -3.920 63.444 293 HZ2 LYS 50 HZ2 LYS 50 54.511 -4.612 63.195 294 HZ3 LYS 50 HZ3 LYS 50 54.813 -3.716 64.598 295 H GLY 51 H GLY 51 55.329 0.439 57.510 296 HA2 GLY 51 HA2 GLY 51 54.201 -2.280 57.762 297 HA3 GLY 51 HA3 GLY 51 53.650 -1.171 56.515 298 H VAL 52 H VAL 52 56.951 -0.851 57.175 299 HA VAL 52 HA VAL 52 57.775 -1.551 54.604 300 HB VAL 52 HB VAL 52 59.478 -1.542 57.100 301 HG11 VAL 52 HG11 VAL 52 61.327 -1.084 55.575 302 HG12 VAL 52 HG12 VAL 52 60.548 -2.618 55.181 303 HG13 VAL 52 HG13 VAL 52 60.227 -1.187 54.199 304 HG21 VAL 52 HG21 VAL 52 58.835 0.701 55.187 305 HG22 VAL 52 HG22 VAL 52 58.258 0.557 56.847 306 HG23 VAL 52 HG23 VAL 52 59.979 0.785 56.528 307 H PHE 53 H PHE 53 57.241 -3.507 57.408 308 HA PHE 53 HA PHE 53 58.824 -5.736 56.576 309 HB3 PHE 53 HB2 PHE 53 56.731 -6.589 58.308 310 HD1 PHE 53 HD2 PHE 53 59.755 -4.684 59.287 311 HD2 PHE 53 HD1 PHE 53 57.969 -8.511 58.768 312 HE1 PHE 53 HE2 PHE 53 61.696 -5.733 60.377 313 HE2 PHE 53 HE1 PHE 53 59.904 -9.567 59.858 314 HZ PHE 53 HZ PHE 53 61.773 -8.178 60.663 315 H GLN 54 H GLN 54 55.316 -5.121 56.616 316 HA GLN 54 HA GLN 54 54.531 -7.492 55.364 317 HB3 GLN 54 HB2 GLN 54 52.692 -5.584 54.521 318 HG3 GLN 54 HG2 GLN 54 52.035 -6.316 57.181 319 HE21 GLN 54 HE21 GLN 54 49.967 -7.014 57.218 320 HE22 GLN 54 HE22 GLN 54 49.025 -7.330 55.805 321 H GLY 55 H GLY 55 55.567 -4.405 54.010 322 HA2 GLY 55 HA2 GLY 55 54.851 -4.735 51.358 323 HA3 GLY 55 HA3 GLY 55 56.274 -3.855 51.896 324 H VAL 56 H VAL 56 57.408 -6.304 53.138 325 HA VAL 56 HA VAL 56 59.104 -7.122 51.122 326 HB VAL 56 HB VAL 56 58.254 -8.729 53.535 327 HG11 VAL 56 HG11 VAL 56 60.526 -9.770 53.244 328 HG12 VAL 56 HG12 VAL 56 59.336 -10.204 52.017 329 HG13 VAL 56 HG13 VAL 56 60.586 -9.014 51.654 330 HG21 VAL 56 HG21 VAL 56 59.218 -6.378 53.857 331 HG22 VAL 56 HG22 VAL 56 59.979 -7.703 54.737 332 HG23 VAL 56 HG23 VAL 56 60.737 -7.064 53.279 333 H HIS 57 H HIS 57 55.932 -8.337 51.964 334 HA HIS 57 HA HIS 57 56.164 -10.557 50.092 335 HB3 HIS 57 HB2 HIS 57 53.720 -9.766 51.676 336 HD1 HIS 57 HD1 HIS 57 55.556 -12.963 50.700 337 HD2 HIS 57 HD2 HIS 57 51.749 -11.300 50.668 338 HE1 HIS 57 HE1 HIS 57 54.049 -14.753 49.782 339 H ASP 58 H ASP 58 54.816 -7.374 50.298 340 HA ASP 58 HA ASP 58 52.880 -7.574 48.254 341 HB3 ASP 58 HB2 ASP 58 54.384 -5.277 49.478 342 H SER 59 H SER 59 56.326 -7.283 48.199 343 HA SER 59 HA SER 59 56.787 -6.118 45.727 344 HB3 SER 59 HB2 SER 59 58.339 -8.382 47.010 345 HG SER 59 HG SER 59 60.042 -7.602 45.758 346 H ALA 60 H ALA 60 55.598 -9.288 46.500 347 HA ALA 60 HA ALA 60 56.140 -10.562 44.037 348 HB1 ALA 60 HB1 ALA 60 55.355 -11.531 46.335 349 HB2 ALA 60 HB2 ALA 60 53.744 -11.287 45.659 350 HB3 ALA 60 HB3 ALA 60 54.900 -12.328 44.828 351 H GLU 61 H GLU 61 53.605 -8.410 45.098 352 HA GLU 61 HA GLU 61 51.611 -8.903 43.255 353 HB3 GLU 61 HB2 GLU 61 52.506 -6.200 44.271 354 HG3 GLU 61 HG2 GLU 61 49.767 -7.073 43.380 355 H LYS 62 H LYS 62 54.137 -6.406 42.903 356 HA LYS 62 HA LYS 62 55.098 -5.462 41.070 357 HB3 LYS 62 HB2 LYS 62 55.192 -7.080 39.012 358 HG3 LYS 62 HG2 LYS 62 56.487 -7.882 41.610 359 HD3 LYS 62 HD2 LYS 62 56.482 -9.420 39.462 360 HE3 LYS 62 HE2 LYS 62 58.921 -7.787 38.889 361 HZ1 LYS 62 HZ1 LYS 62 57.944 -10.148 37.925 362 HZ2 LYS 62 HZ2 LYS 62 59.151 -9.203 37.210 363 HZ3 LYS 62 HZ3 LYS 62 57.542 -9.030 36.719 364 H GLY 63 H GLY 63 53.706 -3.803 40.615 365 HA2 GLY 63 HA2 GLY 63 51.452 -4.383 38.810 366 HA3 GLY 63 HA3 GLY 63 51.601 -2.953 39.820 367 H LYS 64 H LYS 64 52.096 -4.268 36.743 368 HA LYS 64 HA LYS 64 53.262 -1.742 35.840 369 HB3 LYS 64 HB2 LYS 64 54.320 -4.430 34.950 370 HG3 LYS 64 HG2 LYS 64 56.262 -2.838 34.248 371 HD3 LYS 64 HD2 LYS 64 53.842 -2.647 32.503 372 HE3 LYS 64 HE2 LYS 64 56.688 -2.484 32.201 373 HZ1 LYS 64 HZ1 LYS 64 56.851 -3.909 30.219 374 HZ2 LYS 64 HZ2 LYS 64 55.346 -4.586 30.587 375 HZ3 LYS 64 HZ3 LYS 64 56.652 -4.805 31.641 376 H ASP 65 H ASP 65 51.752 -0.978 34.517 377 HA ASP 65 HA ASP 65 51.129 -2.169 32.068 378 HB3 ASP 65 HB2 ASP 65 49.758 -3.783 33.054 379 H ASN 66 H ASN 66 48.879 -1.102 31.240 380 HA ASN 66 HA ASN 66 48.683 1.642 32.224 381 HB3 ASN 66 HB2 ASN 66 49.396 0.881 29.387 382 HD21 ASN 66 HD21 ASN 66 48.959 3.782 31.389 383 HD22 ASN 66 HD22 ASN 66 48.146 4.702 30.175 384 H ALA 67 H ALA 67 47.567 0.010 29.268 385 HA ALA 67 HA ALA 67 45.486 -0.417 28.450 386 HB1 ALA 67 HB1 ALA 67 44.515 -0.233 31.295 387 HB2 ALA 67 HB2 ALA 67 43.765 -1.095 29.952 388 HB3 ALA 67 HB3 ALA 67 45.299 -1.660 30.617 389 H GLU 68 H GLU 68 42.987 0.489 28.999 390 HA GLU 68 HA GLU 68 41.593 2.267 28.737 391 HB3 GLU 68 HB2 GLU 68 43.422 4.298 29.811 392 HG3 GLU 68 HG2 GLU 68 40.674 3.310 30.475 393 H GLY 69 H GLY 69 41.316 4.317 27.553 394 HA2 GLY 69 HA2 GLY 69 42.941 5.886 26.188 395 HA3 GLY 69 HA3 GLY 69 43.161 4.392 25.287 396 H GLN 70 H GLN 70 40.231 3.786 25.975 397 HA GLN 70 HA GLN 70 39.161 5.096 23.610 398 HB3 GLN 70 HB2 GLN 70 37.379 3.309 25.106 399 HG3 GLN 70 HG2 GLN 70 38.319 3.594 22.292 400 HE21 GLN 70 HE21 GLN 70 38.040 2.032 20.788 401 HE22 GLN 70 HE22 GLN 70 37.628 0.394 21.158 402 H GLY 71 H GLY 71 36.633 5.528 23.876 403 HA2 GLY 71 HA2 GLY 71 36.134 6.952 26.394 404 HA3 GLY 71 HA3 GLY 71 36.054 7.858 24.890 405 H GLU 72 H GLU 72 33.900 8.359 24.947 406 HA GLU 72 HA GLU 72 32.064 6.080 24.638 407 HB3 GLU 72 HB2 GLU 72 30.392 7.875 25.708 408 HG3 GLU 72 HG2 GLU 72 31.418 5.514 26.574 409 H SER 73 H SER 73 29.824 7.064 23.841 410 HA SER 73 HA SER 73 30.132 9.262 21.988 411 HB3 SER 73 HB2 SER 73 29.981 8.116 19.986 412 HG SER 73 HG SER 73 31.168 5.997 21.404 413 H LEU 74 H LEU 74 28.417 10.317 22.858 414 HA LEU 74 HA LEU 74 26.046 9.231 23.795 415 HB3 LEU 74 HB2 LEU 74 26.559 11.918 22.531 416 HG LEU 74 HG LEU 74 24.128 11.541 22.621 417 HD11 LEU 74 HD11 LEU 74 23.186 10.435 24.291 418 HD12 LEU 74 HD12 LEU 74 23.736 11.656 25.438 419 HD13 LEU 74 HD13 LEU 74 24.763 10.271 25.065 420 HD21 LEU 74 HD21 LEU 74 24.590 13.779 22.849 421 HD22 LEU 74 HD22 LEU 74 25.468 13.557 24.363 422 HD23 LEU 74 HD23 LEU 74 23.706 13.468 24.344 423 H ALA 75 H ALA 75 27.076 9.831 20.536 424 HA ALA 75 HA ALA 75 24.690 9.975 19.155 425 HB1 ALA 75 HB1 ALA 75 27.437 9.279 18.533 426 HB2 ALA 75 HB2 ALA 75 26.281 8.396 17.536 427 HB3 ALA 75 HB3 ALA 75 26.248 10.160 17.573 428 H ASP 76 H ASP 76 26.187 7.218 20.682 429 HA ASP 76 HA ASP 76 24.533 5.259 19.397 430 HB3 ASP 76 HB2 ASP 76 25.687 4.488 21.973 431 H GLN 77 H GLN 77 24.420 7.097 22.385 432 HA GLN 77 HA GLN 77 22.236 5.623 23.505 433 HB3 GLN 77 HB2 GLN 77 22.230 8.073 24.770 434 HG3 GLN 77 HG2 GLN 77 24.252 6.637 26.045 435 HE21 GLN 77 HE21 GLN 77 20.962 5.448 25.935 436 HE22 GLN 77 HE22 GLN 77 20.457 6.142 27.434 437 H ALA 78 H ALA 78 22.567 8.328 21.360 438 HA ALA 78 HA ALA 78 19.943 9.384 21.694 439 HB1 ALA 78 HB1 ALA 78 20.875 11.029 20.539 440 HB2 ALA 78 HB2 ALA 78 22.272 10.017 20.173 441 HB3 ALA 78 HB3 ALA 78 20.870 10.004 19.104 442 H ARG 79 H ARG 79 21.415 7.260 19.246 443 HA ARG 79 HA ARG 79 19.145 6.905 17.657 444 HB3 ARG 79 HB2 ARG 79 20.413 4.532 17.349 445 HG3 ARG 79 HG2 ARG 79 22.072 5.889 15.842 446 HD3 ARG 79 HD2 ARG 79 19.347 5.032 15.570 447 HE ARG 79 HE ARG 79 19.762 7.650 14.544 448 HH11 ARG 79 HH11 ARG 79 18.333 4.567 13.791 449 HH12 ARG 79 HH12 ARG 79 17.142 5.233 12.723 450 HH21 ARG 79 HH21 ARG 79 18.199 8.539 13.141 451 HH22 ARG 79 HH22 ARG 79 17.067 7.492 12.355 452 H ASP 80 H ASP 80 20.013 5.532 20.718 453 HA ASP 80 HA ASP 80 18.182 3.330 20.601 454 HB3 ASP 80 HB2 ASP 80 18.844 4.144 23.297 455 H TYR 81 H TYR 81 18.103 6.616 21.854 456 HA TYR 81 HA TYR 81 15.550 6.290 23.133 457 HB3 TYR 81 HB2 TYR 81 16.190 9.044 22.607 458 HD1 TYR 81 HD2 TYR 81 14.030 7.759 24.080 459 HD2 TYR 81 HD1 TYR 81 17.927 8.849 25.393 460 HE1 TYR 81 HE2 TYR 81 13.196 7.934 26.386 461 HE2 TYR 81 HE1 TYR 81 17.105 9.028 27.705 462 HH TYR 81 HH TYR 81 14.614 9.514 28.739 463 H MET 82 H MET 82 16.716 7.349 20.020 464 HA MET 82 HA MET 82 14.254 8.555 19.191 465 HB3 MET 82 HB2 MET 82 15.479 8.116 16.857 466 HG3 MET 82 HG2 MET 82 17.047 10.128 17.544 467 HE1 MET 82 HE1 MET 82 14.107 11.547 19.017 468 HE2 MET 82 HE2 MET 82 15.059 12.761 18.163 469 HE3 MET 82 HE3 MET 82 13.385 12.460 17.692 470 H GLY 83 H GLY 83 15.925 5.537 18.267 471 HA2 GLY 83 HA2 GLY 83 13.908 4.507 16.635 472 HA3 GLY 83 HA3 GLY 83 15.109 3.543 17.480 473 H ALA 84 H ALA 84 14.217 4.488 20.120 474 HA ALA 84 HA ALA 84 12.105 2.554 20.488 475 HB1 ALA 84 HB1 ALA 84 13.502 4.320 22.496 476 HB2 ALA 84 HB2 ALA 84 12.411 2.986 22.874 477 HB3 ALA 84 HB3 ALA 84 13.951 2.667 22.079 478 H ALA 85 H ALA 85 12.451 6.033 20.456 479 HA ALA 85 HA ALA 85 9.878 6.569 21.604 480 HB1 ALA 85 HB1 ALA 85 11.336 8.316 21.958 481 HB2 ALA 85 HB2 ALA 85 12.009 8.225 20.328 482 HB3 ALA 85 HB3 ALA 85 10.402 8.907 20.582 483 H LYS 86 H LYS 86 11.220 6.466 18.334 484 HA LYS 86 HA LYS 86 8.951 7.418 16.975 485 HB3 LYS 86 HB2 LYS 86 11.023 7.353 15.803 486 HG3 LYS 86 HG2 LYS 86 11.585 5.027 17.111 487 HD3 LYS 86 HD2 LYS 86 10.180 4.175 14.889 488 HE3 LYS 86 HE2 LYS 86 13.076 4.407 14.276 489 HZ1 LYS 86 HZ1 LYS 86 12.033 2.392 12.658 490 HZ2 LYS 86 HZ2 LYS 86 11.780 1.916 14.261 491 HZ3 LYS 86 HZ3 LYS 86 13.340 2.294 13.728 492 H SER 87 H SER 87 10.015 4.094 17.661 493 HA SER 87 HA SER 87 7.822 2.818 16.434 494 HB3 SER 87 HB2 SER 87 9.032 1.457 18.764 495 HG SER 87 HG SER 87 8.978 -0.210 17.392 496 H LYS 88 H LYS 88 8.412 3.794 19.791 497 HA LYS 88 HA LYS 88 6.038 2.729 20.871 498 HB3 LYS 88 HB2 LYS 88 6.458 4.532 22.669 499 HG3 LYS 88 HG2 LYS 88 8.480 3.426 23.544 500 HD3 LYS 88 HD2 LYS 88 7.315 0.979 22.867 501 HE3 LYS 88 HE2 LYS 88 7.916 2.033 25.123 502 HZ1 LYS 88 HZ1 LYS 88 5.897 2.907 26.275 503 HZ2 LYS 88 HZ2 LYS 88 5.166 3.078 24.760 504 HZ3 LYS 88 HZ3 LYS 88 6.564 3.955 25.127 505 H LEU 89 H LEU 89 6.825 6.042 19.828 506 HA LEU 89 HA LEU 89 4.411 7.264 20.364 507 HB3 LEU 89 HB2 LEU 89 6.248 7.743 18.021 508 HG LEU 89 HG LEU 89 4.315 9.026 17.530 509 HD11 LEU 89 HD11 LEU 89 4.136 9.239 20.437 510 HD12 LEU 89 HD12 LEU 89 2.868 9.286 19.214 511 HD13 LEU 89 HD13 LEU 89 3.788 10.744 19.586 512 HD21 LEU 89 HD21 LEU 89 5.527 11.299 18.779 513 HD22 LEU 89 HD22 LEU 89 5.552 10.814 17.085 514 HD23 LEU 89 HD23 LEU 89 6.781 10.204 18.194 515 H ASN 90 H ASN 90 5.384 5.749 17.285 516 HA ASN 90 HA ASN 90 2.948 6.079 15.961 517 HB3 ASN 90 HB2 ASN 90 4.313 3.598 15.256 518 HD21 ASN 90 HD21 ASN 90 3.160 3.344 13.471 519 HD22 ASN 90 HD22 ASN 90 2.981 4.517 12.216 520 H ASP 91 H ASP 91 3.943 3.773 18.356 521 HA ASP 91 HA ASP 91 1.904 1.846 17.869 522 HB3 ASP 91 HB2 ASP 91 2.941 2.062 20.622 523 H ALA 92 H ALA 92 2.151 4.720 19.872 524 HA ALA 92 HA ALA 92 -0.358 4.235 21.210 525 HB1 ALA 92 HB1 ALA 92 1.882 5.896 21.640 526 HB2 ALA 92 HB2 ALA 92 0.479 6.950 21.462 527 HB3 ALA 92 HB3 ALA 92 0.473 5.674 22.678 528 H VAL 93 H VAL 93 0.839 6.478 18.728 529 HA VAL 93 HA VAL 93 -1.440 7.988 18.325 530 HB VAL 93 HB VAL 93 0.407 7.070 16.121 531 HG11 VAL 93 HG11 VAL 93 -0.201 9.111 15.017 532 HG12 VAL 93 HG12 VAL 93 -1.680 8.257 15.461 533 HG13 VAL 93 HG13 VAL 93 -1.141 9.640 16.413 534 HG21 VAL 93 HG21 VAL 93 0.997 8.591 18.472 535 HG22 VAL 93 HG22 VAL 93 2.071 8.119 17.155 536 HG23 VAL 93 HG23 VAL 93 1.152 9.620 17.049 537 H GLU 94 H GLU 94 -0.495 5.047 16.537 538 HA GLU 94 HA GLU 94 -2.698 4.781 14.916 539 HB3 GLU 94 HB2 GLU 94 -1.992 2.179 15.870 540 HG3 GLU 94 HG2 GLU 94 -0.511 2.765 13.553 541 H TYR 95 H TYR 95 -2.366 3.917 18.308 542 HA TYR 95 HA TYR 95 -4.904 2.594 18.465 543 HB3 TYR 95 HB2 TYR 95 -3.202 3.682 20.716 544 HD1 TYR 95 HD2 TYR 95 -5.381 4.187 21.897 545 HD2 TYR 95 HD1 TYR 95 -4.294 0.259 20.679 546 HE1 TYR 95 HE2 TYR 95 -7.030 3.253 23.463 547 HE2 TYR 95 HE1 TYR 95 -5.941 -0.688 22.241 548 HH TYR 95 HH TYR 95 -7.075 0.071 24.403 549 H VAL 96 H VAL 96 -3.673 5.807 19.267 550 HA VAL 96 HA VAL 96 -6.010 6.778 20.513 551 HB VAL 96 HB VAL 96 -3.943 8.389 19.013 552 HG11 VAL 96 HG11 VAL 96 -5.677 9.239 21.320 553 HG12 VAL 96 HG12 VAL 96 -4.663 10.253 20.290 554 HG13 VAL 96 HG13 VAL 96 -6.118 9.502 19.633 555 HG21 VAL 96 HG21 VAL 96 -3.725 6.839 21.426 556 HG22 VAL 96 HG22 VAL 96 -2.483 7.746 20.563 557 HG23 VAL 96 HG23 VAL 96 -3.486 8.552 21.770 558 H SER 97 H SER 97 -4.805 7.173 17.185 559 HA SER 97 HA SER 97 -6.965 8.667 16.217 560 HB3 SER 97 HB2 SER 97 -5.907 6.928 14.168 561 HG SER 97 HG SER 97 -5.350 9.655 14.721 562 H GLY 98 H GLY 98 -6.569 5.233 16.713 563 HA2 GLY 98 HA2 GLY 98 -8.886 4.504 15.161 564 HA3 GLY 98 HA3 GLY 98 -7.946 3.442 16.198 565 H ARG 99 H ARG 99 -8.296 5.501 18.411 566 HA ARG 99 HA ARG 99 -10.801 4.398 19.390 567 HB3 ARG 99 HB2 ARG 99 -9.868 6.025 21.387 568 HG3 ARG 99 HG2 ARG 99 -8.436 3.539 21.505 569 HD3 ARG 99 HD2 ARG 99 -10.968 4.390 22.899 570 HE ARG 99 HE ARG 99 -9.509 2.074 23.211 571 HH11 ARG 99 HH11 ARG 99 -10.456 4.763 25.209 572 HH12 ARG 99 HH12 ARG 99 -10.491 3.834 26.670 573 HH21 ARG 99 HH21 ARG 99 -9.551 0.840 25.129 574 HH22 ARG 99 HH22 ARG 99 -9.974 1.602 26.624 575 H VAL 100 H VAL 100 -9.334 7.591 18.864 576 HA VAL 100 HA VAL 100 -11.383 9.216 19.739 577 HB VAL 100 HB VAL 100 -9.581 9.669 17.356 578 HG11 VAL 100 HG11 VAL 100 -10.713 11.543 16.987 579 HG12 VAL 100 HG12 VAL 100 -11.787 11.196 18.342 580 HG13 VAL 100 HG13 VAL 100 -10.293 12.094 18.607 581 HG21 VAL 100 HG21 VAL 100 -7.951 10.288 18.767 582 HG22 VAL 100 HG22 VAL 100 -9.071 11.099 19.863 583 HG23 VAL 100 HG23 VAL 100 -8.848 9.353 19.963 584 H HIS 101 H HIS 101 -10.971 7.775 16.517 585 HA HIS 101 HA HIS 101 -13.314 8.912 15.403 586 HB3 HIS 101 HB2 HIS 101 -12.812 6.509 14.042 587 HD1 HIS 101 HD1 HIS 101 -14.275 8.672 12.909 588 HD2 HIS 101 HD2 HIS 101 -10.124 8.699 12.731 589 HE1 HIS 101 HE1 HIS 101 -13.694 10.247 11.037 590 H GLY 102 H GLY 102 -14.909 7.120 14.341 591 HA2 GLY 102 HA2 GLY 102 -15.662 5.007 16.132 592 HA3 GLY 102 HA3 GLY 102 -16.722 6.402 16.261 593 H GLU 103 H GLU 103 -16.758 3.495 15.054 594 HA GLU 103 HA GLU 103 -17.842 4.218 12.422 595 HB3 GLU 103 HB2 GLU 103 -17.475 1.386 13.309 596 HG3 GLU 103 HG2 GLU 103 -16.955 2.725 10.665 597 H GLU 104 H GLU 104 -18.647 2.664 15.468 598 HA GLU 104 HA GLU 104 -20.631 2.089 16.421 599 HB3 GLU 104 HB2 GLU 104 -22.527 3.395 14.742 600 HG3 GLU 104 HG2 GLU 104 -21.349 3.982 17.428 601 H ASP 105 H ASP 105 -23.052 1.390 15.659 602 HA ASP 105 HA ASP 105 -22.878 -0.262 13.257 603 HB3 ASP 105 HB2 ASP 105 -24.063 -2.011 15.022 604 HA PRO 106 HA PRO 106 -27.124 0.705 12.740 605 HB3 PRO 106 HB2 PRO 106 -27.063 -0.496 10.782 606 HG3 PRO 106 HG2 PRO 106 -25.845 -2.471 10.624 607 HD3 PRO 106 HD2 PRO 106 -24.243 -1.089 11.535 608 H THR 107 H THR 107 -29.202 0.445 13.600 609 HA THR 107 HA THR 107 -29.319 -1.297 15.966 610 HB THR 107 HB THR 107 -31.355 0.830 15.555 611 HG1 THR 107 HG1 THR 107 -29.977 2.454 16.027 612 HG21 THR 107 HG21 THR 107 -31.765 0.068 17.623 613 HG22 THR 107 HG22 THR 107 -30.339 0.980 18.111 614 HG23 THR 107 HG23 THR 107 -30.199 -0.735 17.728 615 H LYS 108 H LYS 108 -31.411 -2.262 16.501 616 HA LYS 108 HA LYS 108 -33.207 -2.667 14.228 617 HB3 LYS 108 HB2 LYS 108 -32.560 -5.104 15.782 618 HG3 LYS 108 HG2 LYS 108 -32.347 -5.792 13.189 619 HD3 LYS 108 HD2 LYS 108 -35.078 -5.431 14.359 620 HE3 LYS 108 HE2 LYS 108 -33.675 -7.366 12.591 621 HZ1 LYS 108 HZ1 LYS 108 -35.445 -8.994 13.012 622 HZ2 LYS 108 HZ2 LYS 108 -35.964 -8.085 14.340 623 HZ3 LYS 108 HZ3 LYS 108 -34.428 -8.795 14.351 624 H LYS 109 H LYS 109 -35.313 -3.322 14.791 625 HA LYS 109 HA LYS 109 -36.365 -2.238 17.120 626 HB3 LYS 109 HB2 LYS 109 -37.517 -4.429 15.382 627 HG3 LYS 109 HG2 LYS 109 -38.744 -2.732 17.516 628 HD3 LYS 109 HD2 LYS 109 -40.879 -3.885 16.266 629 HE3 LYS 109 HE2 LYS 109 -39.702 -1.133 16.147 630 HZ1 LYS 109 HZ1 LYS 109 -42.152 -2.088 14.787 631 HZ2 LYS 109 HZ2 LYS 109 -40.884 -1.175 14.138 632 HZ3 LYS 109 HZ3 LYS 109 -41.949 -0.473 15.249 Start of MODEL 19 1 H1 MET 1 H MET 1 43.045 13.685 47.773 2 HA MET 1 HA MET 1 43.388 16.465 48.613 3 HB3 MET 1 HB2 MET 1 43.194 15.936 50.957 4 HG3 MET 1 HG2 MET 1 40.989 15.644 49.191 5 HE1 MET 1 HE1 MET 1 38.693 15.638 50.771 6 HE2 MET 1 HE2 MET 1 38.225 14.257 49.780 7 HE3 MET 1 HE3 MET 1 38.138 14.151 51.540 8 H SER 2 H SER 2 45.218 15.485 47.067 9 HA SER 2 HA SER 2 47.425 14.984 46.835 10 HB3 SER 2 HB2 SER 2 48.917 15.564 48.697 11 HG SER 2 HG SER 2 46.734 17.284 48.193 12 H ASP 3 H ASP 3 49.293 13.697 48.272 13 HA ASP 3 HA ASP 3 50.021 11.636 48.904 14 HB3 ASP 3 HB2 ASP 3 47.265 11.174 50.042 15 H ALA 4 H ALA 4 50.360 10.539 47.053 16 HA ALA 4 HA ALA 4 48.076 9.072 45.902 17 HB1 ALA 4 HB1 ALA 4 50.604 9.785 44.435 18 HB2 ALA 4 HB2 ALA 4 49.079 9.203 43.764 19 HB3 ALA 4 HB3 ALA 4 49.177 10.823 44.455 20 H GLY 5 H GLY 5 49.332 7.252 44.346 21 HA2 GLY 5 HA2 GLY 5 50.501 5.265 44.342 22 HA3 GLY 5 HA3 GLY 5 51.469 5.893 45.668 23 H ARG 6 H ARG 6 50.127 3.238 45.129 24 HA ARG 6 HA ARG 6 49.037 1.610 46.286 25 HB3 ARG 6 HB2 ARG 6 49.395 1.530 48.637 26 HG3 ARG 6 HG2 ARG 6 51.644 3.178 47.498 27 HD3 ARG 6 HD2 ARG 6 52.200 1.101 49.484 28 HE ARG 6 HE ARG 6 53.491 3.368 48.609 29 HH11 ARG 6 HH11 ARG 6 52.604 1.993 51.681 30 HH12 ARG 6 HH12 ARG 6 53.946 2.688 52.527 31 HH21 ARG 6 HH21 ARG 6 55.263 4.289 49.712 32 HH22 ARG 6 HH22 ARG 6 55.457 3.995 51.405 33 H LYS 7 H LYS 7 47.348 1.459 48.350 34 HA LYS 7 HA LYS 7 45.205 1.812 49.030 35 HB3 LYS 7 HB2 LYS 7 44.384 4.036 49.215 36 HG3 LYS 7 HG2 LYS 7 47.187 4.893 49.247 37 HD3 LYS 7 HD2 LYS 7 44.988 5.749 50.473 38 HE3 LYS 7 HE2 LYS 7 46.171 4.298 52.764 39 HZ1 LYS 7 HZ1 LYS 7 43.737 4.237 53.341 40 HZ2 LYS 7 HZ2 LYS 7 43.465 5.213 51.987 41 HZ3 LYS 7 HZ3 LYS 7 44.432 5.778 53.253 42 H GLY 8 H GLY 8 43.087 3.206 47.946 43 HA2 GLY 8 HA2 GLY 8 42.164 1.546 45.942 44 HA3 GLY 8 HA3 GLY 8 41.537 3.158 46.250 45 H PHE 9 H PHE 9 43.852 4.636 45.601 46 HA PHE 9 HA PHE 9 43.572 4.725 42.758 47 HB3 PHE 9 HB2 PHE 9 45.829 6.248 43.717 48 HD1 PHE 9 HD2 PHE 9 42.166 6.919 43.495 49 HD2 PHE 9 HD1 PHE 9 46.045 7.622 41.892 50 HE1 PHE 9 HE2 PHE 9 41.208 8.517 41.889 51 HE2 PHE 9 HE1 PHE 9 45.094 9.223 40.283 52 HZ PHE 9 HZ PHE 9 42.672 9.670 40.280 53 H GLY 10 H GLY 10 45.754 3.190 44.942 54 HA2 GLY 10 HA2 GLY 10 48.094 2.981 43.492 55 HA3 GLY 10 HA3 GLY 10 47.487 1.729 44.566 56 H GLU 11 H GLU 11 45.387 0.657 43.400 57 HA GLU 11 HA GLU 11 46.385 -1.025 41.448 58 HB3 GLU 11 HB2 GLU 11 43.575 -0.751 41.029 59 HG3 GLU 11 HG2 GLU 11 44.303 -2.786 42.950 60 H LYS 12 H LYS 12 44.257 1.793 40.981 61 HA LYS 12 HA LYS 12 44.129 1.686 38.194 62 HB3 LYS 12 HB2 LYS 12 43.340 3.951 38.276 63 HG3 LYS 12 HG2 LYS 12 41.652 3.928 39.979 64 HD3 LYS 12 HD2 LYS 12 42.020 1.017 39.402 65 HE3 LYS 12 HE2 LYS 12 39.627 2.761 38.906 66 HZ1 LYS 12 HZ1 LYS 12 40.090 -0.132 39.283 67 HZ2 LYS 12 HZ2 LYS 12 39.309 0.655 38.005 68 HZ3 LYS 12 HZ3 LYS 12 38.557 0.549 39.517 69 H ALA 13 H ALA 13 46.414 3.374 40.316 70 HA ALA 13 HA ALA 13 47.859 4.791 38.434 71 HB1 ALA 13 HB1 ALA 13 49.801 4.019 40.199 72 HB2 ALA 13 HB2 ALA 13 48.699 5.379 40.422 73 HB3 ALA 13 HB3 ALA 13 48.328 3.815 41.147 74 H SER 14 H SER 14 48.519 1.493 39.618 75 HA SER 14 HA SER 14 50.708 0.995 37.930 76 HB3 SER 14 HB2 SER 14 49.008 -1.322 38.633 77 HG SER 14 HG SER 14 50.975 -2.018 38.325 78 H GLU 15 H GLU 15 47.281 0.862 37.386 79 HA GLU 15 HA GLU 15 47.448 -0.706 34.983 80 HB3 GLU 15 HB2 GLU 15 45.034 0.140 34.716 81 HG3 GLU 15 HG2 GLU 15 44.825 -1.069 37.295 82 H ALA 16 H ALA 16 47.355 2.701 35.809 83 HA ALA 16 HA ALA 16 46.849 3.718 33.227 84 HB1 ALA 16 HB1 ALA 16 46.615 5.033 35.301 85 HB2 ALA 16 HB2 ALA 16 48.371 5.043 35.468 86 HB3 ALA 16 HB3 ALA 16 47.613 5.842 34.092 87 H LEU 17 H LEU 17 49.922 3.380 35.010 88 HA LEU 17 HA LEU 17 51.604 4.233 32.949 89 HB3 LEU 17 HB2 LEU 17 52.312 3.999 35.278 90 HG LEU 17 HG LEU 17 51.253 1.567 35.466 91 HD11 LEU 17 HD11 LEU 17 52.559 -0.173 34.911 92 HD12 LEU 17 HD12 LEU 17 54.046 0.664 35.351 93 HD13 LEU 17 HD13 LEU 17 53.289 0.974 33.789 94 HD21 LEU 17 HD21 LEU 17 52.637 1.226 37.454 95 HD22 LEU 17 HD22 LEU 17 52.104 2.901 37.318 96 HD23 LEU 17 HD23 LEU 17 53.759 2.463 36.887 97 H LYS 18 H LYS 18 50.361 1.020 33.730 98 HA LYS 18 HA LYS 18 51.860 -0.292 31.665 99 HB3 LYS 18 HB2 LYS 18 49.883 -1.063 33.716 100 HG3 LYS 18 HG2 LYS 18 49.999 -2.428 31.066 101 HD3 LYS 18 HD2 LYS 18 50.278 -3.722 33.642 102 HE3 LYS 18 HE2 LYS 18 48.558 -5.494 33.085 103 HZ1 LYS 18 HZ1 LYS 18 47.996 -2.854 34.180 104 HZ2 LYS 18 HZ2 LYS 18 47.845 -4.377 34.897 105 HZ3 LYS 18 HZ3 LYS 18 46.655 -3.824 33.829 106 HA PRO 19 HA PRO 19 49.219 0.582 28.249 107 HB3 PRO 19 HB2 PRO 19 50.978 -0.069 26.921 108 HG3 PRO 19 HG2 PRO 19 52.416 -1.770 27.585 109 HD3 PRO 19 HD2 PRO 19 52.430 -0.474 29.491 110 H ASP 20 H ASP 20 47.925 -1.005 26.585 111 HA ASP 20 HA ASP 20 46.709 -3.318 27.555 112 HB3 ASP 20 HB2 ASP 20 44.534 -1.415 27.783 113 H SER 21 H SER 21 46.422 -0.391 25.653 114 HA SER 21 HA SER 21 45.514 -1.959 23.386 115 HB3 SER 21 HB2 SER 21 43.881 0.396 23.421 116 HG SER 21 HG SER 21 42.428 -1.043 22.826 117 H GLN 22 H GLN 22 45.065 -0.192 21.505 118 HA GLN 22 HA GLN 22 47.619 1.043 21.100 119 HB3 GLN 22 HB2 GLN 22 45.346 1.646 19.280 120 HG3 GLN 22 HG2 GLN 22 48.240 1.220 19.080 121 HE21 GLN 22 HE21 GLN 22 48.011 -1.146 18.639 122 HE22 GLN 22 HE22 GLN 22 47.793 -1.626 16.992 123 H LYS 23 H LYS 23 44.756 2.028 22.571 124 HA LYS 23 HA LYS 23 45.647 4.825 22.491 125 HB3 LYS 23 HB2 LYS 23 43.106 5.375 22.582 126 HG3 LYS 23 HG2 LYS 23 44.144 4.325 19.962 127 HD3 LYS 23 HD2 LYS 23 41.723 5.470 20.599 128 HE3 LYS 23 HE2 LYS 23 42.095 7.675 19.189 129 HZ1 LYS 23 HZ1 LYS 23 41.112 7.932 21.250 130 HZ2 LYS 23 HZ2 LYS 23 42.535 8.831 21.422 131 HZ3 LYS 23 HZ3 LYS 23 42.429 7.281 22.092 132 H SER 24 H SER 24 46.412 4.954 24.534 133 HA SER 24 HA SER 24 45.037 3.758 26.759 134 HB3 SER 24 HB2 SER 24 46.850 5.379 27.939 135 HG SER 24 HG SER 24 48.075 3.582 28.067 136 H TYR 25 H TYR 25 44.441 6.458 24.981 137 HA TYR 25 HA TYR 25 43.987 8.520 26.764 138 HB3 TYR 25 HB2 TYR 25 41.874 8.730 24.988 139 HD1 TYR 25 HD1 TYR 25 45.435 8.760 23.912 140 HD2 TYR 25 HD2 TYR 25 42.083 11.053 25.183 141 HE1 TYR 25 HE1 TYR 25 46.656 10.828 23.384 142 HE2 TYR 25 HE2 TYR 25 43.295 13.127 24.656 143 HH TYR 25 HH TYR 25 46.359 13.093 22.988 144 H ALA 26 H ALA 26 42.187 5.590 26.271 145 HA ALA 26 HA ALA 26 39.702 6.208 27.291 146 HB1 ALA 26 HB1 ALA 26 40.754 3.641 28.237 147 HB2 ALA 26 HB2 ALA 26 39.339 3.995 27.244 148 HB3 ALA 26 HB3 ALA 26 40.937 3.917 26.505 149 H GLU 27 H GLU 27 42.615 5.255 29.093 150 HA GLU 27 HA GLU 27 41.321 5.543 31.642 151 HB3 GLU 27 HB2 GLU 27 44.179 5.615 31.857 152 HG3 GLU 27 HG2 GLU 27 41.985 4.071 32.858 153 H GLN 28 H GLN 28 43.488 7.478 29.652 154 HA GLN 28 HA GLN 28 44.203 9.445 31.469 155 HB3 GLN 28 HB2 GLN 28 44.589 10.891 29.543 156 HG3 GLN 28 HG2 GLN 28 45.208 8.118 28.594 157 HE21 GLN 28 HE21 GLN 28 47.789 10.054 29.458 158 HE22 GLN 28 HE22 GLN 28 48.191 10.671 27.894 159 H GLY 29 H GLY 29 41.409 9.429 29.253 160 HA2 GLY 29 HA2 GLY 29 40.312 11.871 30.090 161 HA3 GLY 29 HA3 GLY 29 39.417 10.565 29.326 162 H LYS 30 H LYS 30 39.417 8.566 31.088 163 HA LYS 30 HA LYS 30 37.435 9.181 32.895 164 HB3 LYS 30 HB2 LYS 30 37.995 7.053 34.019 165 HG3 LYS 30 HG2 LYS 30 38.019 7.105 31.028 166 HD3 LYS 30 HD2 LYS 30 39.193 5.047 32.375 167 HE3 LYS 30 HE2 LYS 30 36.243 4.546 32.222 168 HZ1 LYS 30 HZ1 LYS 30 37.848 2.822 31.027 169 HZ2 LYS 30 HZ2 LYS 30 36.480 2.341 31.896 170 HZ3 LYS 30 HZ3 LYS 30 38.008 2.267 32.616 171 H GLU 31 H GLU 31 40.897 8.755 33.643 172 HA GLU 31 HA GLU 31 40.738 9.468 36.342 173 HB3 GLU 31 HB2 GLU 31 43.153 9.833 36.220 174 HG3 GLU 31 HG2 GLU 31 43.698 7.715 34.702 175 H TYR 32 H TYR 32 40.859 11.414 33.458 176 HA TYR 32 HA TYR 32 41.676 13.855 34.568 177 HB3 TYR 32 HB2 TYR 32 39.742 13.481 32.274 178 HD1 TYR 32 HD1 TYR 32 38.752 15.697 32.957 179 HD2 TYR 32 HD2 TYR 32 42.843 15.261 31.871 180 HE1 TYR 32 HE1 TYR 32 38.905 18.123 32.586 181 HE2 TYR 32 HE2 TYR 32 43.008 17.687 31.498 182 HH TYR 32 HH TYR 32 41.871 19.739 32.197 183 H ILE 33 H ILE 33 38.378 12.666 33.916 184 HA ILE 33 HA ILE 33 36.980 14.808 35.007 185 HB ILE 33 HB ILE 33 36.074 11.936 35.155 186 HG13 ILE 33 HG12 ILE 33 36.693 13.563 32.846 187 HG21 ILE 33 HG21 ILE 33 34.602 13.363 36.349 188 HG22 ILE 33 HG22 ILE 33 34.636 14.576 35.072 189 HG23 ILE 33 HG23 ILE 33 33.834 13.030 34.797 190 HD11 ILE 33 HD11 ILE 33 35.395 10.879 32.726 191 HD12 ILE 33 HD12 ILE 33 36.607 11.588 31.659 192 HD13 ILE 33 HD13 ILE 33 37.062 11.047 33.274 193 H THR 34 H THR 34 37.810 11.719 36.589 194 HA THR 34 HA THR 34 36.794 12.188 39.093 195 HB THR 34 HB THR 34 38.598 10.702 39.973 196 HG1 THR 34 HG1 THR 34 39.510 10.728 37.270 197 HG21 THR 34 HG21 THR 34 37.369 9.730 37.391 198 HG22 THR 34 HG22 THR 34 36.532 9.800 38.941 199 HG23 THR 34 HG23 THR 34 37.922 8.733 38.735 200 H ASP 35 H ASP 35 40.032 13.077 37.915 201 HA ASP 35 HA ASP 35 41.009 14.228 40.249 202 HB3 ASP 35 HB2 ASP 35 41.768 15.599 37.750 203 H LYS 36 H LYS 36 38.900 15.557 37.776 204 HA LYS 36 HA LYS 36 39.006 18.247 38.713 205 HB3 LYS 36 HB2 LYS 36 36.994 18.558 37.270 206 HG3 LYS 36 HG2 LYS 36 38.152 17.406 35.149 207 HD3 LYS 36 HD2 LYS 36 39.821 19.459 35.364 208 HE3 LYS 36 HE2 LYS 36 36.838 19.548 34.999 209 HZ1 LYS 36 HZ1 LYS 36 38.326 21.750 35.534 210 HZ2 LYS 36 HZ2 LYS 36 36.865 21.739 34.681 211 HZ3 LYS 36 HZ3 LYS 36 38.334 21.706 33.842 212 H ALA 37 H ALA 37 36.767 15.547 39.206 213 HA ALA 37 HA ALA 37 34.933 17.020 40.808 214 HB1 ALA 37 HB1 ALA 37 34.042 15.118 39.784 215 HB2 ALA 37 HB2 ALA 37 35.372 14.092 40.323 216 HB3 ALA 37 HB3 ALA 37 34.176 14.670 41.483 217 H ASP 38 H ASP 38 37.924 15.402 41.437 218 HA ASP 38 HA ASP 38 37.512 15.171 44.281 219 HB3 ASP 38 HB2 ASP 38 40.281 15.073 43.309 220 H LYS 39 H LYS 39 39.267 17.325 42.097 221 HA LYS 39 HA LYS 39 40.507 18.869 44.126 222 HB3 LYS 39 HB2 LYS 39 40.334 20.578 41.999 223 HG3 LYS 39 HG2 LYS 39 42.373 18.762 41.299 224 HD3 LYS 39 HD2 LYS 39 42.720 21.109 43.135 225 HE3 LYS 39 HE2 LYS 39 44.367 19.551 41.291 226 HZ1 LYS 39 HZ1 LYS 39 45.697 21.746 40.909 227 HZ2 LYS 39 HZ2 LYS 39 44.168 22.464 41.003 228 HZ3 LYS 39 HZ3 LYS 39 44.478 21.284 39.829 229 H VAL 40 H VAL 40 37.574 19.373 42.182 230 HA VAL 40 HA VAL 40 36.859 21.859 43.272 231 HB VAL 40 HB VAL 40 35.833 21.036 41.228 232 HG11 VAL 40 HG11 VAL 40 34.742 19.075 41.002 233 HG12 VAL 40 HG12 VAL 40 35.661 18.631 42.442 234 HG13 VAL 40 HG13 VAL 40 33.993 19.185 42.595 235 HG21 VAL 40 HG21 VAL 40 34.602 22.696 42.482 236 HG22 VAL 40 HG22 VAL 40 33.475 21.559 41.744 237 HG23 VAL 40 HG23 VAL 40 33.848 21.441 43.463 238 H ALA 41 H ALA 41 36.182 18.562 44.313 239 HA ALA 41 HA ALA 41 34.366 19.343 46.390 240 HB1 ALA 41 HB1 ALA 41 33.916 17.201 45.729 241 HB2 ALA 41 HB2 ALA 41 35.617 16.793 45.506 242 HB3 ALA 41 HB3 ALA 41 34.938 16.882 47.131 243 H GLY 42 H GLY 42 37.781 18.402 46.241 244 HA2 GLY 42 HA2 GLY 42 38.199 18.485 49.057 245 HA3 GLY 42 HA3 GLY 42 39.450 18.489 47.823 246 H LYS 43 H LYS 43 38.448 20.875 46.497 247 HA LYS 43 HA LYS 43 39.887 22.819 47.958 248 HB3 LYS 43 HB2 LYS 43 38.474 24.325 46.214 249 HG3 LYS 43 HG2 LYS 43 40.202 23.921 44.529 250 HD3 LYS 43 HD2 LYS 43 41.861 23.776 46.937 251 HE3 LYS 43 HE2 LYS 43 41.564 26.335 45.579 252 HZ1 LYS 43 HZ1 LYS 43 43.951 24.623 45.482 253 HZ2 LYS 43 HZ2 LYS 43 43.491 25.316 46.955 254 HZ3 LYS 43 HZ3 LYS 43 43.844 26.305 45.628 255 H VAL 44 H VAL 44 36.580 21.835 47.995 256 HA VAL 44 HA VAL 44 35.807 24.221 49.524 257 HB VAL 44 HB VAL 44 34.321 23.701 47.678 258 HG11 VAL 44 HG11 VAL 44 33.897 21.033 49.020 259 HG12 VAL 44 HG12 VAL 44 33.055 21.621 47.584 260 HG13 VAL 44 HG13 VAL 44 34.789 21.301 47.522 261 HG21 VAL 44 HG21 VAL 44 32.442 22.831 49.660 262 HG22 VAL 44 HG22 VAL 44 33.548 24.016 50.359 263 HG23 VAL 44 HG23 VAL 44 32.620 24.419 48.914 264 H GLN 45 H GLN 45 35.372 24.127 51.645 265 HA GLN 45 HA GLN 45 35.410 21.474 52.924 266 HB3 GLN 45 HB2 GLN 45 36.284 24.150 54.025 267 HG3 GLN 45 HG2 GLN 45 35.677 21.638 55.372 268 HE21 GLN 45 HE21 GLN 45 36.891 20.534 56.815 269 HE22 GLN 45 HE22 GLN 45 38.593 20.749 57.016 270 HA PRO 46 HA PRO 46 31.188 23.278 53.608 271 HB3 PRO 46 HB2 PRO 46 30.322 22.111 51.827 272 HG3 PRO 46 HG2 PRO 46 31.365 20.191 51.032 273 HD3 PRO 46 HD2 PRO 46 33.170 21.622 51.098 274 H GLU 47 H GLU 47 29.333 21.686 54.791 275 HA GLU 47 HA GLU 47 30.178 21.574 57.460 276 HB3 GLU 47 HB2 GLU 47 28.034 20.489 57.917 277 HG3 GLU 47 HG2 GLU 47 27.911 22.670 55.857 278 H ASP 48 H ASP 48 30.429 19.287 54.903 279 HA ASP 48 HA ASP 48 30.828 17.016 56.662 280 HB3 ASP 48 HB2 ASP 48 31.006 15.698 54.688 281 H ASN 49 H ASN 49 32.864 15.630 55.530 282 HA ASN 49 HA ASN 49 35.215 17.382 55.684 283 HB3 ASN 49 HB2 ASN 49 36.009 15.006 56.916 284 HD21 ASN 49 HD21 ASN 49 34.219 16.896 59.091 285 HD22 ASN 49 HD22 ASN 49 35.499 17.929 59.620 286 H LYS 50 H LYS 50 34.769 13.859 55.496 287 HA LYS 50 HA LYS 50 36.157 13.915 52.895 288 HB3 LYS 50 HB2 LYS 50 37.522 12.955 54.741 289 HG3 LYS 50 HG2 LYS 50 35.540 10.692 54.745 290 HD3 LYS 50 HD2 LYS 50 38.146 10.522 55.272 291 HE3 LYS 50 HE2 LYS 50 37.065 10.989 58.021 292 HZ1 LYS 50 HZ1 LYS 50 39.824 11.491 57.174 293 HZ2 LYS 50 HZ2 LYS 50 39.313 9.883 57.311 294 HZ3 LYS 50 HZ3 LYS 50 39.239 10.912 58.652 295 H GLY 51 H GLY 51 35.840 11.297 52.149 296 HA2 GLY 51 HA2 GLY 51 33.382 10.084 52.450 297 HA3 GLY 51 HA3 GLY 51 33.147 11.302 51.205 298 H VAL 52 H VAL 52 34.123 8.149 51.847 299 HA VAL 52 HA VAL 52 35.792 7.871 49.488 300 HB VAL 52 HB VAL 52 34.774 5.681 51.298 301 HG11 VAL 52 HG11 VAL 52 37.154 5.781 49.448 302 HG12 VAL 52 HG12 VAL 52 36.650 4.407 50.434 303 HG13 VAL 52 HG13 VAL 52 35.629 4.964 49.106 304 HG21 VAL 52 HG21 VAL 52 35.998 7.386 52.583 305 HG22 VAL 52 HG22 VAL 52 36.872 5.856 52.509 306 HG23 VAL 52 HG23 VAL 52 37.370 7.206 51.491 307 H PHE 53 H PHE 53 32.493 7.443 50.412 308 HA PHE 53 HA PHE 53 31.594 5.526 48.633 309 HB3 PHE 53 HB2 PHE 53 29.546 7.382 48.645 310 HD1 PHE 53 HD1 PHE 53 31.301 5.102 51.003 311 HD2 PHE 53 HD2 PHE 53 27.606 6.289 49.259 312 HE1 PHE 53 HE1 PHE 53 30.179 3.205 52.097 313 HE2 PHE 53 HE2 PHE 53 26.477 4.396 50.351 314 HZ PHE 53 HZ PHE 53 27.763 2.851 51.773 315 H GLN 54 H GLN 54 32.557 8.816 48.035 316 HA GLN 54 HA GLN 54 31.333 9.272 45.573 317 HB3 GLN 54 HB2 GLN 54 33.820 10.508 45.386 318 HG3 GLN 54 HG2 GLN 54 32.253 12.241 46.900 319 HE21 GLN 54 HE21 GLN 54 31.529 11.141 43.626 320 HE22 GLN 54 HE22 GLN 54 32.188 12.524 42.824 321 H GLY 55 H GLY 55 34.026 7.259 46.417 322 HA2 GLY 55 HA2 GLY 55 34.664 6.858 43.569 323 HA3 GLY 55 HA3 GLY 55 35.715 6.439 44.914 324 H VAL 56 H VAL 56 33.689 5.150 46.493 325 HA VAL 56 HA VAL 56 33.934 2.525 45.608 326 HB VAL 56 HB VAL 56 31.808 3.654 47.435 327 HG11 VAL 56 HG11 VAL 56 30.967 1.576 47.084 328 HG12 VAL 56 HG12 VAL 56 32.526 0.901 46.612 329 HG13 VAL 56 HG13 VAL 56 32.158 1.163 48.318 330 HG21 VAL 56 HG21 VAL 56 34.574 3.558 47.779 331 HG22 VAL 56 HG22 VAL 56 33.356 3.829 49.026 332 HG23 VAL 56 HG23 VAL 56 33.947 2.197 48.710 333 H HIS 57 H HIS 57 31.626 4.960 44.750 334 HA HIS 57 HA HIS 57 29.693 3.123 43.658 335 HB3 HIS 57 HB2 HIS 57 29.775 6.031 42.943 336 HD1 HIS 57 HD1 HIS 57 28.286 3.920 41.321 337 HD2 HIS 57 HD2 HIS 57 26.647 5.889 44.591 338 HE1 HIS 57 HE1 HIS 57 25.795 3.770 41.016 339 H ASP 58 H ASP 58 32.497 4.822 42.539 340 HA ASP 58 HA ASP 58 31.923 4.709 39.755 341 HB3 ASP 58 HB2 ASP 58 34.753 4.683 40.656 342 H SER 59 H SER 59 33.160 2.440 42.053 343 HA SER 59 HA SER 59 34.438 0.703 40.183 344 HB3 SER 59 HB2 SER 59 34.896 -0.673 41.992 345 HG SER 59 HG SER 59 35.396 1.649 42.438 346 H ALA 60 H ALA 60 31.399 0.388 42.027 347 HA ALA 60 HA ALA 60 30.463 -1.919 40.790 348 HB1 ALA 60 HB1 ALA 60 28.434 -1.521 41.832 349 HB2 ALA 60 HB2 ALA 60 29.565 -0.624 42.847 350 HB3 ALA 60 HB3 ALA 60 28.573 0.230 41.662 351 H GLU 61 H GLU 61 30.554 1.347 39.643 352 HA GLU 61 HA GLU 61 28.518 1.409 37.780 353 HB3 GLU 61 HB2 GLU 61 30.769 2.637 36.574 354 HG3 GLU 61 HG2 GLU 61 28.801 3.976 38.405 355 H LYS 62 H LYS 62 31.904 0.783 36.864 356 HA LYS 62 HA LYS 62 31.061 -0.583 34.471 357 HB3 LYS 62 HB2 LYS 62 33.502 -0.878 34.089 358 HG3 LYS 62 HG2 LYS 62 32.275 1.761 34.562 359 HD3 LYS 62 HD2 LYS 62 34.701 2.546 33.658 360 HE3 LYS 62 HE2 LYS 62 34.477 2.441 36.603 361 HZ1 LYS 62 HZ1 LYS 62 35.954 4.024 35.811 362 HZ2 LYS 62 HZ2 LYS 62 34.568 4.937 36.135 363 HZ3 LYS 62 HZ3 LYS 62 34.943 4.503 34.544 364 H GLY 63 H GLY 63 31.181 -2.748 34.017 365 HA2 GLY 63 HA2 GLY 63 32.311 -4.897 34.736 366 HA3 GLY 63 HA3 GLY 63 31.704 -4.500 36.336 367 H LYS 64 H LYS 64 30.706 -5.259 33.029 368 HA LYS 64 HA LYS 64 28.612 -6.964 33.962 369 HB3 LYS 64 HB2 LYS 64 27.143 -5.233 32.293 370 HG3 LYS 64 HG2 LYS 64 26.813 -6.481 34.767 371 HD3 LYS 64 HD2 LYS 64 25.859 -3.670 35.077 372 HE3 LYS 64 HE2 LYS 64 26.528 -5.950 36.925 373 HZ1 LYS 64 HZ1 LYS 64 25.503 -3.313 37.784 374 HZ2 LYS 64 HZ2 LYS 64 27.154 -3.681 37.806 375 HZ3 LYS 64 HZ3 LYS 64 26.073 -4.579 38.749 376 H ASP 65 H ASP 65 27.172 -7.593 31.957 377 HA ASP 65 HA ASP 65 29.005 -8.519 29.951 378 HB3 ASP 65 HB2 ASP 65 26.129 -8.882 29.443 379 H ASN 66 H ASN 66 27.611 -8.527 27.622 380 HA ASN 66 HA ASN 66 28.224 -6.108 26.447 381 HB3 ASN 66 HB2 ASN 66 25.954 -7.405 25.150 382 HD21 ASN 66 HD21 ASN 66 28.395 -8.937 23.848 383 HD22 ASN 66 HD22 ASN 66 28.991 -7.759 22.733 384 H ALA 67 H ALA 67 27.305 -4.160 26.378 385 HA ALA 67 HA ALA 67 24.553 -3.638 26.334 386 HB1 ALA 67 HB1 ALA 67 25.464 -2.654 28.951 387 HB2 ALA 67 HB2 ALA 67 23.898 -3.300 28.459 388 HB3 ALA 67 HB3 ALA 67 25.224 -4.398 28.839 389 H GLU 68 H GLU 68 27.766 -2.514 27.206 390 HA GLU 68 HA GLU 68 28.887 -0.587 26.751 391 HB3 GLU 68 HB2 GLU 68 27.295 0.815 24.930 392 HG3 GLU 68 HG2 GLU 68 29.146 -1.305 23.957 393 H GLY 69 H GLY 69 28.799 1.779 27.011 394 HA2 GLY 69 HA2 GLY 69 26.914 3.515 27.584 395 HA3 GLY 69 HA3 GLY 69 26.751 2.470 28.988 396 H GLN 70 H GLN 70 27.357 4.012 30.482 397 HA GLN 70 HA GLN 70 28.735 5.341 31.717 398 HB3 GLN 70 HB2 GLN 70 31.015 4.519 32.025 399 HG3 GLN 70 HG2 GLN 70 28.965 3.178 32.862 400 HE21 GLN 70 HE21 GLN 70 31.045 1.532 30.500 401 HE22 GLN 70 HE22 GLN 70 29.857 0.381 30.002 402 H GLY 71 H GLY 71 28.068 6.694 29.552 403 HA2 GLY 71 HA2 GLY 71 28.822 8.704 28.619 404 HA3 GLY 71 HA3 GLY 71 30.473 8.230 28.985 405 H GLU 72 H GLU 72 31.706 7.689 27.317 406 HA GLU 72 HA GLU 72 32.358 7.196 25.192 407 HB3 GLU 72 HB2 GLU 72 30.072 5.492 24.536 408 HG3 GLU 72 HG2 GLU 72 32.795 5.507 24.019 409 H SER 73 H SER 73 31.124 6.716 22.837 410 HA SER 73 HA SER 73 30.314 9.250 21.991 411 HB3 SER 73 HB2 SER 73 30.833 8.216 20.067 412 HG SER 73 HG SER 73 31.740 6.426 20.886 413 H LEU 74 H LEU 74 28.602 10.157 23.021 414 HA LEU 74 HA LEU 74 26.281 8.915 23.885 415 HB3 LEU 74 HB2 LEU 74 26.701 11.741 22.927 416 HG LEU 74 HG LEU 74 24.282 11.296 23.035 417 HD11 LEU 74 HD11 LEU 74 23.979 9.563 24.541 418 HD12 LEU 74 HD12 LEU 74 23.405 10.967 25.442 419 HD13 LEU 74 HD13 LEU 74 25.009 10.306 25.764 420 HD21 LEU 74 HD21 LEU 74 24.707 13.505 23.507 421 HD22 LEU 74 HD22 LEU 74 25.628 13.132 24.963 422 HD23 LEU 74 HD23 LEU 74 23.869 13.004 24.976 423 H ALA 75 H ALA 75 27.207 9.911 20.693 424 HA ALA 75 HA ALA 75 24.783 10.154 19.396 425 HB1 ALA 75 HB1 ALA 75 26.291 10.559 17.809 426 HB2 ALA 75 HB2 ALA 75 27.525 9.603 18.630 427 HB3 ALA 75 HB3 ALA 75 26.361 8.813 17.565 428 H ASP 76 H ASP 76 26.379 7.279 20.556 429 HA ASP 76 HA ASP 76 24.725 5.443 19.096 430 HB3 ASP 76 HB2 ASP 76 26.036 4.470 21.551 431 H GLN 77 H GLN 77 24.686 6.905 22.289 432 HA GLN 77 HA GLN 77 22.566 5.258 23.290 433 HB3 GLN 77 HB2 GLN 77 22.570 7.532 24.851 434 HG3 GLN 77 HG2 GLN 77 24.588 6.071 25.978 435 HE21 GLN 77 HE21 GLN 77 21.276 5.019 25.272 436 HE22 GLN 77 HE22 GLN 77 20.686 5.213 26.884 437 H ALA 78 H ALA 78 22.785 8.236 21.516 438 HA ALA 78 HA ALA 78 20.144 9.163 22.057 439 HB1 ALA 78 HB1 ALA 78 21.043 10.981 21.160 440 HB2 ALA 78 HB2 ALA 78 22.420 10.056 20.562 441 HB3 ALA 78 HB3 ALA 78 20.962 10.199 19.581 442 H ARG 79 H ARG 79 21.611 7.460 19.296 443 HA ARG 79 HA ARG 79 19.333 7.279 17.703 444 HB3 ARG 79 HB2 ARG 79 20.630 4.977 17.085 445 HG3 ARG 79 HG2 ARG 79 22.242 6.559 15.741 446 HD3 ARG 79 HD2 ARG 79 20.038 5.281 15.086 447 HE ARG 79 HE ARG 79 18.951 7.806 15.691 448 HH11 ARG 79 HH11 ARG 79 18.879 5.352 13.222 449 HH12 ARG 79 HH12 ARG 79 17.273 5.741 12.698 450 HH21 ARG 79 HH21 ARG 79 16.837 8.327 15.012 451 HH22 ARG 79 HH22 ARG 79 16.113 7.434 13.718 452 H ASP 80 H ASP 80 20.243 5.515 20.545 453 HA ASP 80 HA ASP 80 18.427 3.331 20.145 454 HB3 ASP 80 HB2 ASP 80 19.181 3.853 22.917 455 H TYR 81 H TYR 81 18.396 6.319 22.046 456 HA TYR 81 HA TYR 81 15.849 5.823 23.227 457 HB3 TYR 81 HB2 TYR 81 17.336 8.439 22.903 458 HD1 TYR 81 HD1 TYR 81 14.705 6.580 24.770 459 HD2 TYR 81 HD2 TYR 81 16.444 10.361 23.883 460 HE1 TYR 81 HE1 TYR 81 12.867 7.698 25.960 461 HE2 TYR 81 HE2 TYR 81 14.610 11.489 25.071 462 HH TYR 81 HH TYR 81 12.388 9.800 27.051 463 H MET 82 H MET 82 16.967 7.692 20.440 464 HA MET 82 HA MET 82 14.507 8.897 19.802 465 HB3 MET 82 HB2 MET 82 15.670 8.743 17.384 466 HG3 MET 82 HG2 MET 82 17.180 10.684 18.146 467 HE1 MET 82 HE1 MET 82 15.640 12.527 19.916 468 HE2 MET 82 HE2 MET 82 15.065 13.616 18.653 469 HE3 MET 82 HE3 MET 82 13.908 12.733 19.649 470 H GLY 83 H GLY 83 16.060 6.015 18.374 471 HA2 GLY 83 HA2 GLY 83 13.989 5.281 16.669 472 HA3 GLY 83 HA3 GLY 83 15.156 4.166 17.360 473 H ALA 84 H ALA 84 14.318 4.779 20.114 474 HA ALA 84 HA ALA 84 12.288 2.799 20.348 475 HB1 ALA 84 HB1 ALA 84 12.582 2.955 22.647 476 HB2 ALA 84 HB2 ALA 84 14.162 3.415 22.011 477 HB3 ALA 84 HB3 ALA 84 13.044 4.657 22.573 478 H ALA 85 H ALA 85 12.323 6.319 20.550 479 HA ALA 85 HA ALA 85 9.672 6.629 21.492 480 HB1 ALA 85 HB1 ALA 85 11.065 8.667 19.793 481 HB2 ALA 85 HB2 ALA 85 9.949 8.914 21.137 482 HB3 ALA 85 HB3 ALA 85 11.588 8.344 21.445 483 H LYS 86 H LYS 86 11.056 6.215 18.307 484 HA LYS 86 HA LYS 86 8.843 7.057 16.780 485 HB3 LYS 86 HB2 LYS 86 9.906 6.028 14.926 486 HG3 LYS 86 HG2 LYS 86 12.350 6.422 16.574 487 HD3 LYS 86 HD2 LYS 86 11.540 6.599 13.798 488 HE3 LYS 86 HE2 LYS 86 13.080 8.919 14.960 489 HZ1 LYS 86 HZ1 LYS 86 13.476 9.626 12.809 490 HZ2 LYS 86 HZ2 LYS 86 12.300 8.616 12.134 491 HZ3 LYS 86 HZ3 LYS 86 13.755 7.960 12.697 492 H SER 87 H SER 87 9.874 3.765 17.686 493 HA SER 87 HA SER 87 7.642 2.440 16.631 494 HB3 SER 87 HB2 SER 87 8.982 1.368 19.079 495 HG SER 87 HG SER 87 8.872 -0.524 17.863 496 H LYS 88 H LYS 88 8.271 3.661 19.901 497 HA LYS 88 HA LYS 88 5.883 2.744 21.072 498 HB3 LYS 88 HB2 LYS 88 6.338 4.654 22.725 499 HG3 LYS 88 HG2 LYS 88 8.400 3.635 23.631 500 HD3 LYS 88 HD2 LYS 88 7.081 1.170 22.992 501 HE3 LYS 88 HE2 LYS 88 8.177 1.954 25.150 502 HZ1 LYS 88 HZ1 LYS 88 6.133 3.846 25.028 503 HZ2 LYS 88 HZ2 LYS 88 7.283 3.634 26.250 504 HZ3 LYS 88 HZ3 LYS 88 5.794 2.837 26.341 505 H LEU 89 H LEU 89 6.721 5.945 19.750 506 HA LEU 89 HA LEU 89 4.326 7.243 20.189 507 HB3 LEU 89 HB2 LEU 89 6.163 7.505 17.812 508 HG LEU 89 HG LEU 89 4.244 8.780 17.236 509 HD11 LEU 89 HD11 LEU 89 4.099 9.223 20.119 510 HD12 LEU 89 HD12 LEU 89 2.820 9.210 18.904 511 HD13 LEU 89 HD13 LEU 89 3.780 10.667 19.157 512 HD21 LEU 89 HD21 LEU 89 6.739 9.952 17.774 513 HD22 LEU 89 HD22 LEU 89 5.520 11.117 18.292 514 HD23 LEU 89 HD23 LEU 89 5.507 10.503 16.637 515 H ASN 90 H ASN 90 5.274 5.470 17.243 516 HA ASN 90 HA ASN 90 2.848 5.731 15.889 517 HB3 ASN 90 HB2 ASN 90 4.038 3.181 15.302 518 HD21 ASN 90 HD21 ASN 90 5.714 5.688 13.828 519 HD22 ASN 90 HD22 ASN 90 4.728 5.860 12.420 520 H ASP 91 H ASP 91 3.789 3.617 18.477 521 HA ASP 91 HA ASP 91 1.708 1.701 18.147 522 HB3 ASP 91 HB2 ASP 91 2.517 1.864 20.883 523 H ALA 92 H ALA 92 2.022 4.721 19.910 524 HA ALA 92 HA ALA 92 -0.499 4.407 21.277 525 HB1 ALA 92 HB1 ALA 92 0.365 5.940 22.625 526 HB2 ALA 92 HB2 ALA 92 1.780 6.046 21.576 527 HB3 ALA 92 HB3 ALA 92 0.401 7.113 21.309 528 H VAL 93 H VAL 93 0.754 6.408 18.621 529 HA VAL 93 HA VAL 93 -1.491 7.934 18.091 530 HB VAL 93 HB VAL 93 0.336 6.797 15.974 531 HG11 VAL 93 HG11 VAL 93 -1.723 7.977 15.217 532 HG12 VAL 93 HG12 VAL 93 -1.147 9.421 16.052 533 HG13 VAL 93 HG13 VAL 93 -0.225 8.753 14.705 534 HG21 VAL 93 HG21 VAL 93 2.022 7.887 16.923 535 HG22 VAL 93 HG22 VAL 93 1.142 9.397 16.693 536 HG23 VAL 93 HG23 VAL 93 0.961 8.491 18.196 537 H GLU 94 H GLU 94 -0.612 4.836 16.551 538 HA GLU 94 HA GLU 94 -2.820 4.491 14.951 539 HB3 GLU 94 HB2 GLU 94 -2.175 1.959 16.115 540 HG3 GLU 94 HG2 GLU 94 -0.680 2.272 13.776 541 H TYR 95 H TYR 95 -2.511 3.900 18.404 542 HA TYR 95 HA TYR 95 -5.078 2.652 18.660 543 HB3 TYR 95 HB2 TYR 95 -3.359 3.881 20.824 544 HD1 TYR 95 HD1 TYR 95 -5.604 4.509 21.878 545 HD2 TYR 95 HD2 TYR 95 -4.437 0.488 21.125 546 HE1 TYR 95 HE1 TYR 95 -7.275 3.725 23.503 547 HE2 TYR 95 HE2 TYR 95 -6.106 -0.307 22.746 548 HH TYR 95 HH TYR 95 -8.002 0.331 23.899 549 H VAL 96 H VAL 96 -3.773 5.890 19.202 550 HA VAL 96 HA VAL 96 -6.089 7.013 20.359 551 HB VAL 96 HB VAL 96 -3.979 8.445 18.740 552 HG11 VAL 96 HG11 VAL 96 -5.707 9.525 20.958 553 HG12 VAL 96 HG12 VAL 96 -4.658 10.426 19.861 554 HG13 VAL 96 HG13 VAL 96 -6.125 9.662 19.250 555 HG21 VAL 96 HG21 VAL 96 -3.807 7.095 21.273 556 HG22 VAL 96 HG22 VAL 96 -2.541 7.903 20.348 557 HG23 VAL 96 HG23 VAL 96 -3.531 8.825 21.478 558 H SER 97 H SER 97 -4.870 7.115 17.014 559 HA SER 97 HA SER 97 -6.984 8.577 15.915 560 HB3 SER 97 HB2 SER 97 -5.984 6.633 14.029 561 HG SER 97 HG SER 97 -6.643 8.963 13.815 562 H GLY 98 H GLY 98 -6.690 5.181 16.685 563 HA2 GLY 98 HA2 GLY 98 -9.028 4.390 15.202 564 HA3 GLY 98 HA3 GLY 98 -8.130 3.401 16.344 565 H ARG 99 H ARG 99 -8.422 5.655 18.359 566 HA ARG 99 HA ARG 99 -10.966 4.732 19.415 567 HB3 ARG 99 HB2 ARG 99 -9.991 6.535 21.241 568 HG3 ARG 99 HG2 ARG 99 -8.695 4.331 22.072 569 HD3 ARG 99 HD2 ARG 99 -11.652 4.171 22.197 570 HE ARG 99 HE ARG 99 -9.602 3.330 23.844 571 HH11 ARG 99 HH11 ARG 99 -12.529 5.190 24.155 572 HH12 ARG 99 HH12 ARG 99 -12.801 4.731 25.803 573 HH21 ARG 99 HH21 ARG 99 -9.950 2.717 26.015 574 HH22 ARG 99 HH22 ARG 99 -11.334 3.324 26.860 575 H VAL 100 H VAL 100 -9.407 7.837 18.651 576 HA VAL 100 HA VAL 100 -11.449 9.566 19.317 577 HB VAL 100 HB VAL 100 -9.541 9.784 16.985 578 HG11 VAL 100 HG11 VAL 100 -10.252 12.325 17.952 579 HG12 VAL 100 HG12 VAL 100 -10.650 11.614 16.386 580 HG13 VAL 100 HG13 VAL 100 -11.757 11.434 17.746 581 HG21 VAL 100 HG21 VAL 100 -8.667 11.526 18.867 582 HG22 VAL 100 HG22 VAL 100 -9.306 10.234 19.882 583 HG23 VAL 100 HG23 VAL 100 -8.063 9.880 18.682 584 H HIS 101 H HIS 101 -11.060 7.630 16.397 585 HA HIS 101 HA HIS 101 -12.504 7.072 14.729 586 HB3 HIS 101 HB2 HIS 101 -14.718 8.182 16.453 587 HD1 HIS 101 HD1 HIS 101 -16.939 7.713 15.472 588 HD2 HIS 101 HD2 HIS 101 -13.986 5.283 13.849 589 HE1 HIS 101 HE1 HIS 101 -18.079 6.386 13.665 590 H GLY 102 H GLY 102 -11.279 9.075 13.858 591 HA2 GLY 102 HA2 GLY 102 -12.782 10.457 12.077 592 HA3 GLY 102 HA3 GLY 102 -12.879 11.456 13.520 593 H GLU 103 H GLU 103 -10.116 9.553 12.399 594 HA GLU 103 HA GLU 103 -8.718 11.718 11.227 595 HB3 GLU 103 HB2 GLU 103 -7.021 11.220 13.436 596 HG3 GLU 103 HG2 GLU 103 -8.667 13.701 13.187 597 H GLU 104 H GLU 104 -6.332 11.150 10.943 598 HA GLU 104 HA GLU 104 -5.375 8.545 11.333 599 HB3 GLU 104 HB2 GLU 104 -5.591 8.336 8.559 600 HG3 GLU 104 HG2 GLU 104 -7.550 6.673 9.367 601 H ASP 105 H ASP 105 -3.405 8.098 10.006 602 HA ASP 105 HA ASP 105 -2.229 10.409 8.694 603 HB3 ASP 105 HB2 ASP 105 -0.122 9.779 10.273 604 HA PRO 106 HA PRO 106 -0.191 7.415 6.222 605 HB3 PRO 106 HB2 PRO 106 0.692 9.154 5.008 606 HG3 PRO 106 HG2 PRO 106 1.398 11.109 6.051 607 HD3 PRO 106 HD2 PRO 106 -0.701 10.899 6.980 608 H THR 107 H THR 107 2.274 6.527 5.956 609 HA THR 107 HA THR 107 3.644 6.102 8.440 610 HB THR 107 HB THR 107 1.828 4.532 8.806 611 HG1 THR 107 HG1 THR 107 3.120 2.724 9.160 612 HG21 THR 107 HG21 THR 107 1.495 2.617 7.282 613 HG22 THR 107 HG22 THR 107 2.647 3.335 6.155 614 HG23 THR 107 HG23 THR 107 1.129 4.160 6.509 615 H LYS 108 H LYS 108 5.530 4.669 8.182 616 HA LYS 108 HA LYS 108 6.324 4.141 5.422 617 HB3 LYS 108 HB2 LYS 108 7.112 6.435 5.972 618 HG3 LYS 108 HG2 LYS 108 7.778 5.388 8.448 619 HD3 LYS 108 HD2 LYS 108 10.357 6.369 7.367 620 HE3 LYS 108 HE2 LYS 108 9.708 4.163 9.317 621 HZ1 LYS 108 HZ1 LYS 108 11.896 3.872 9.154 622 HZ2 LYS 108 HZ2 LYS 108 12.052 5.322 10.012 623 HZ3 LYS 108 HZ3 LYS 108 12.140 5.324 8.322 624 H LYS 109 H LYS 109 8.786 3.263 5.617 625 HA LYS 109 HA LYS 109 8.535 0.845 7.136 626 HB3 LYS 109 HB2 LYS 109 10.904 1.885 5.571 627 HG3 LYS 109 HG2 LYS 109 10.540 -0.964 5.539 628 HD3 LYS 109 HD2 LYS 109 12.788 0.749 6.601 629 HE3 LYS 109 HE2 LYS 109 12.650 -2.115 5.671 630 HZ1 LYS 109 HZ1 LYS 109 15.032 -0.451 6.286 631 HZ2 LYS 109 HZ2 LYS 109 14.644 -1.138 4.790 632 HZ3 LYS 109 HZ3 LYS 109 15.055 -2.132 6.096 Start of MODEL 20 1 H1 MET 1 H MET 1 55.007 -31.217 59.466 2 HA MET 1 HA MET 1 54.246 -32.215 61.833 3 HB3 MET 1 HB2 MET 1 53.077 -30.341 63.013 4 HG3 MET 1 HG2 MET 1 55.939 -30.751 62.909 5 HE1 MET 1 HE1 MET 1 54.683 -28.706 65.576 6 HE2 MET 1 HE2 MET 1 55.473 -27.135 65.456 7 HE3 MET 1 HE3 MET 1 53.965 -27.432 64.591 8 H SER 2 H SER 2 52.786 -33.385 60.711 9 HA SER 2 HA SER 2 50.218 -32.354 60.234 10 HB3 SER 2 HB2 SER 2 50.599 -31.347 58.238 11 HG SER 2 HG SER 2 52.430 -31.813 56.954 12 H ASP 3 H ASP 3 48.990 -34.002 58.658 13 HA ASP 3 HA ASP 3 49.937 -36.654 58.504 14 HB3 ASP 3 HB2 ASP 3 49.774 -36.916 60.821 15 H ALA 4 H ALA 4 47.868 -38.204 58.340 16 HA ALA 4 HA ALA 4 45.520 -36.931 57.273 17 HB1 ALA 4 HB1 ALA 4 46.030 -36.888 55.117 18 HB2 ALA 4 HB2 ALA 4 47.658 -37.451 55.500 19 HB3 ALA 4 HB3 ALA 4 46.383 -38.616 55.147 20 H GLY 5 H GLY 5 44.199 -38.798 56.035 21 HA2 GLY 5 HA2 GLY 5 44.604 -41.423 57.183 22 HA3 GLY 5 HA3 GLY 5 43.228 -40.553 57.845 23 H ARG 6 H ARG 6 42.631 -42.858 56.701 24 HA ARG 6 HA ARG 6 41.398 -43.886 55.087 25 HB3 ARG 6 HB2 ARG 6 40.297 -41.595 53.748 26 HG3 ARG 6 HG2 ARG 6 38.743 -42.848 55.904 27 HD3 ARG 6 HD2 ARG 6 37.071 -43.006 54.186 28 HE ARG 6 HE ARG 6 38.264 -40.512 54.723 29 HH11 ARG 6 HH11 ARG 6 36.054 -42.033 52.503 30 HH12 ARG 6 HH12 ARG 6 35.176 -40.577 52.175 31 HH21 ARG 6 HH21 ARG 6 37.116 -38.587 54.297 32 HH22 ARG 6 HH22 ARG 6 35.781 -38.617 53.196 33 H LYS 7 H LYS 7 40.731 -43.476 52.547 34 HA LYS 7 HA LYS 7 43.056 -42.516 51.075 35 HB3 LYS 7 HB2 LYS 7 42.780 -44.805 49.737 36 HG3 LYS 7 HG2 LYS 7 44.422 -45.799 51.605 37 HD3 LYS 7 HD2 LYS 7 44.702 -44.620 49.157 38 HE3 LYS 7 HE2 LYS 7 45.940 -42.882 51.223 39 HZ1 LYS 7 HZ1 LYS 7 47.943 -43.427 50.296 40 HZ2 LYS 7 HZ2 LYS 7 47.469 -42.180 49.257 41 HZ3 LYS 7 HZ3 LYS 7 47.290 -43.793 48.779 42 H GLY 8 H GLY 8 42.671 -42.385 48.748 43 HA2 GLY 8 HA2 GLY 8 40.124 -41.309 48.161 44 HA3 GLY 8 HA3 GLY 8 41.386 -41.656 46.989 45 H PHE 9 H PHE 9 41.400 -44.524 47.899 46 HA PHE 9 HA PHE 9 39.381 -45.428 46.049 47 HB3 PHE 9 HB2 PHE 9 40.668 -47.569 47.497 48 HD1 PHE 9 HD1 PHE 9 41.810 -45.729 44.480 49 HD2 PHE 9 HD2 PHE 9 39.829 -49.162 46.031 50 HE1 PHE 9 HE1 PHE 9 41.740 -46.706 42.222 51 HE2 PHE 9 HE2 PHE 9 39.758 -50.144 43.777 52 HZ PHE 9 HZ PHE 9 40.714 -48.917 41.869 53 H GLY 10 H GLY 10 39.724 -45.123 49.469 54 HA2 GLY 10 HA2 GLY 10 37.945 -47.111 50.348 55 HA3 GLY 10 HA3 GLY 10 38.325 -45.630 51.215 56 H GLU 11 H GLU 11 37.299 -43.638 49.835 57 HA GLU 11 HA GLU 11 34.589 -43.666 50.376 58 HB3 GLU 11 HB2 GLU 11 35.513 -41.544 50.125 59 HG3 GLU 11 HG2 GLU 11 36.631 -42.477 47.500 60 H LYS 12 H LYS 12 36.252 -44.371 47.335 61 HA LYS 12 HA LYS 12 33.880 -44.695 45.797 62 HB3 LYS 12 HB2 LYS 12 35.310 -45.541 44.068 63 HG3 LYS 12 HG2 LYS 12 37.384 -43.821 45.187 64 HD3 LYS 12 HD2 LYS 12 35.640 -43.017 42.931 65 HE3 LYS 12 HE2 LYS 12 38.619 -43.330 42.949 66 HZ1 LYS 12 HZ1 LYS 12 38.557 -41.998 41.164 67 HZ2 LYS 12 HZ2 LYS 12 37.331 -41.015 41.788 68 HZ3 LYS 12 HZ3 LYS 12 36.941 -42.484 41.045 69 H ALA 13 H ALA 13 36.059 -46.961 47.439 70 HA ALA 13 HA ALA 13 34.971 -49.362 46.614 71 HB1 ALA 13 HB1 ALA 13 36.743 -49.896 47.868 72 HB2 ALA 13 HB2 ALA 13 36.587 -48.452 48.869 73 HB3 ALA 13 HB3 ALA 13 35.614 -49.879 49.223 74 H SER 14 H SER 14 34.050 -47.455 49.484 75 HA SER 14 HA SER 14 31.956 -49.133 50.310 76 HB3 SER 14 HB2 SER 14 31.539 -46.286 50.880 77 HG SER 14 HG SER 14 32.273 -48.345 52.667 78 H GLU 15 H GLU 15 32.129 -46.676 47.861 79 HA GLU 15 HA GLU 15 29.283 -46.375 47.583 80 HB3 GLU 15 HB2 GLU 15 30.011 -45.214 45.400 81 HG3 GLU 15 HG2 GLU 15 31.477 -43.634 47.257 82 H ALA 16 H ALA 16 31.813 -48.273 46.069 83 HA ALA 16 HA ALA 16 30.354 -49.171 43.832 84 HB1 ALA 16 HB1 ALA 16 32.595 -50.583 45.274 85 HB2 ALA 16 HB2 ALA 16 32.048 -50.889 43.625 86 HB3 ALA 16 HB3 ALA 16 32.800 -49.348 44.032 87 H LEU 17 H LEU 17 31.025 -50.809 46.930 88 HA LEU 17 HA LEU 17 29.463 -53.070 46.485 89 HB3 LEU 17 HB2 LEU 17 31.072 -52.856 48.315 90 HG LEU 17 HG LEU 17 30.103 -50.489 49.033 91 HD11 LEU 17 HD11 LEU 17 28.004 -52.025 49.794 92 HD12 LEU 17 HD12 LEU 17 28.416 -50.468 50.511 93 HD13 LEU 17 HD13 LEU 17 28.940 -51.961 51.288 94 HD21 LEU 17 HD21 LEU 17 32.159 -51.496 49.859 95 HD22 LEU 17 HD22 LEU 17 31.230 -52.536 50.940 96 HD23 LEU 17 HD23 LEU 17 31.233 -50.788 51.183 97 H LYS 18 H LYS 18 28.580 -49.922 47.821 98 HA LYS 18 HA LYS 18 25.888 -50.681 48.431 99 HB3 LYS 18 HB2 LYS 18 25.936 -47.906 48.200 100 HG3 LYS 18 HG2 LYS 18 26.891 -48.774 50.789 101 HD3 LYS 18 HD2 LYS 18 24.535 -47.387 49.608 102 HE3 LYS 18 HE2 LYS 18 24.627 -48.566 52.383 103 HZ1 LYS 18 HZ1 LYS 18 22.268 -47.375 52.232 104 HZ2 LYS 18 HZ2 LYS 18 23.173 -46.288 51.307 105 HZ3 LYS 18 HZ3 LYS 18 23.630 -46.627 52.900 106 HA PRO 19 HA PRO 19 23.849 -50.048 44.598 107 HB3 PRO 19 HB2 PRO 19 21.877 -50.531 45.674 108 HG3 PRO 19 HG2 PRO 19 21.479 -49.783 47.840 109 HD3 PRO 19 HD2 PRO 19 23.562 -50.727 48.123 110 H ASP 20 H ASP 20 22.332 -48.175 43.540 111 HA ASP 20 HA ASP 20 22.927 -45.491 44.033 112 HB3 ASP 20 HB2 ASP 20 24.418 -46.059 41.580 113 H SER 21 H SER 21 22.805 -44.280 41.654 114 HA SER 21 HA SER 21 21.417 -43.704 39.946 115 HB3 SER 21 HB2 SER 21 20.134 -46.056 39.144 116 HG SER 21 HG SER 21 22.682 -45.503 38.160 117 H GLN 22 H GLN 22 19.144 -43.455 39.372 118 HA GLN 22 HA GLN 22 17.027 -44.572 40.823 119 HB3 GLN 22 HB2 GLN 22 17.191 -41.799 41.778 120 HG3 GLN 22 HG2 GLN 22 16.373 -44.442 42.855 121 HE21 GLN 22 HE21 GLN 22 17.270 -41.209 43.981 122 HE22 GLN 22 HE22 GLN 22 17.540 -41.666 45.625 123 H LYS 23 H LYS 23 15.158 -42.610 40.876 124 HA LYS 23 HA LYS 23 14.849 -42.024 38.042 125 HB3 LYS 23 HB2 LYS 23 12.977 -43.067 39.203 126 HG3 LYS 23 HG2 LYS 23 13.276 -40.764 41.063 127 HD3 LYS 23 HD2 LYS 23 10.901 -41.340 41.832 128 HE3 LYS 23 HE2 LYS 23 10.960 -39.966 39.165 129 HZ1 LYS 23 HZ1 LYS 23 9.235 -40.006 41.443 130 HZ2 LYS 23 HZ2 LYS 23 8.948 -39.410 39.887 131 HZ3 LYS 23 HZ3 LYS 23 9.706 -38.432 41.040 132 H SER 24 H SER 24 13.330 -39.834 37.909 133 HA SER 24 HA SER 24 13.319 -37.556 37.926 134 HB3 SER 24 HB2 SER 24 15.050 -36.843 40.052 135 HG SER 24 HG SER 24 12.315 -37.198 40.481 136 H TYR 25 H TYR 25 15.758 -39.400 37.099 137 HA TYR 25 HA TYR 25 18.094 -37.924 37.103 138 HB3 TYR 25 HB2 TYR 25 17.670 -39.301 34.566 139 HD1 TYR 25 HD2 TYR 25 19.133 -39.790 37.977 140 HD2 TYR 25 HD1 TYR 25 19.765 -39.820 33.770 141 HE1 TYR 25 HE2 TYR 25 21.509 -40.309 38.343 142 HE2 TYR 25 HE1 TYR 25 22.143 -40.341 34.123 143 HH TYR 25 HH TYR 25 23.825 -40.245 35.762 144 H ALA 26 H ALA 26 15.218 -37.496 35.201 145 HA ALA 26 HA ALA 26 16.116 -36.033 33.043 146 HB1 ALA 26 HB1 ALA 26 13.769 -34.754 33.752 147 HB2 ALA 26 HB2 ALA 26 13.917 -36.180 32.722 148 HB3 ALA 26 HB3 ALA 26 13.600 -36.367 34.448 149 H GLU 27 H GLU 27 15.300 -34.840 36.291 150 HA GLU 27 HA GLU 27 16.043 -32.138 35.655 151 HB3 GLU 27 HB2 GLU 27 15.986 -32.691 38.489 152 HG3 GLU 27 HG2 GLU 27 14.352 -31.078 36.581 153 H GLN 28 H GLN 28 17.538 -34.876 37.288 154 HA GLN 28 HA GLN 28 19.721 -33.616 38.451 155 HB3 GLN 28 HB2 GLN 28 20.830 -35.788 38.385 156 HG3 GLN 28 HG2 GLN 28 17.914 -36.395 38.725 157 HE21 GLN 28 HE21 GLN 28 17.802 -37.521 40.989 158 HE22 GLN 28 HE22 GLN 28 18.935 -38.806 41.203 159 H GLY 29 H GLY 29 19.504 -35.085 35.210 160 HA2 GLY 29 HA2 GLY 29 22.099 -34.427 34.374 161 HA3 GLY 29 HA3 GLY 29 20.737 -34.734 33.307 162 H LYS 30 H LYS 30 19.042 -32.708 33.740 163 HA LYS 30 HA LYS 30 20.028 -30.614 32.243 164 HB3 LYS 30 HB2 LYS 30 18.087 -29.314 33.050 165 HG3 LYS 30 HG2 LYS 30 17.654 -32.190 32.343 166 HD3 LYS 30 HD2 LYS 30 15.788 -30.827 33.794 167 HE3 LYS 30 HE2 LYS 30 15.561 -30.025 30.958 168 HZ1 LYS 30 HZ1 LYS 30 13.211 -30.849 32.573 169 HZ2 LYS 30 HZ2 LYS 30 13.677 -31.463 31.070 170 HZ3 LYS 30 HZ3 LYS 30 13.117 -29.872 31.195 171 H GLU 31 H GLU 31 19.530 -30.601 35.778 172 HA GLU 31 HA GLU 31 20.731 -28.112 36.241 173 HB3 GLU 31 HB2 GLU 31 20.911 -28.849 38.591 174 HG3 GLU 31 HG2 GLU 31 18.354 -29.532 37.177 175 H TYR 32 H TYR 32 22.090 -31.263 35.737 176 HA TYR 32 HA TYR 32 24.633 -30.824 36.883 177 HB3 TYR 32 HB2 TYR 32 23.965 -32.645 34.564 178 HD1 TYR 32 HD1 TYR 32 26.216 -32.564 33.644 179 HD2 TYR 32 HD2 TYR 32 25.556 -33.580 37.723 180 HE1 TYR 32 HE1 TYR 32 28.517 -33.418 33.798 181 HE2 TYR 32 HE2 TYR 32 27.856 -34.435 37.888 182 HH TYR 32 HH TYR 32 30.024 -34.432 35.075 183 H ILE 33 H ILE 33 23.402 -30.398 33.586 184 HA ILE 33 HA ILE 33 25.899 -29.522 32.518 185 HB ILE 33 HB ILE 33 23.235 -28.856 31.303 186 HG13 ILE 33 HG12 ILE 33 22.857 -31.117 31.712 187 HG21 ILE 33 HG21 ILE 33 25.814 -29.694 29.997 188 HG22 ILE 33 HG22 ILE 33 24.401 -28.966 29.235 189 HG23 ILE 33 HG23 ILE 33 25.397 -28.015 30.337 190 HD11 ILE 33 HD11 ILE 33 22.836 -32.177 29.703 191 HD12 ILE 33 HD12 ILE 33 23.138 -30.525 29.161 192 HD13 ILE 33 HD13 ILE 33 24.474 -31.670 29.290 193 H THR 34 H THR 34 23.050 -27.907 33.816 194 HA THR 34 HA THR 34 23.726 -25.280 33.058 195 HB THR 34 HB THR 34 21.662 -26.516 34.570 196 HG1 THR 34 HG1 THR 34 20.738 -25.051 33.366 197 HG21 THR 34 HG21 THR 34 22.848 -25.789 36.586 198 HG22 THR 34 HG22 THR 34 21.349 -24.886 36.370 199 HG23 THR 34 HG23 THR 34 22.894 -24.139 35.967 200 H ASP 35 H ASP 35 24.661 -27.270 35.788 201 HA ASP 35 HA ASP 35 25.843 -25.151 37.297 202 HB3 ASP 35 HB2 ASP 35 26.914 -27.831 37.791 203 H LYS 36 H LYS 36 26.935 -27.316 34.794 204 HA LYS 36 HA LYS 36 29.727 -26.865 35.180 205 HB3 LYS 36 HB2 LYS 36 29.965 -27.921 32.951 206 HG3 LYS 36 HG2 LYS 36 28.293 -29.958 33.579 207 HD3 LYS 36 HD2 LYS 36 30.596 -29.845 35.372 208 HE3 LYS 36 HE2 LYS 36 29.482 -31.591 33.244 209 HZ1 LYS 36 HZ1 LYS 36 31.434 -32.829 32.989 210 HZ2 LYS 36 HZ2 LYS 36 32.242 -32.002 34.223 211 HZ3 LYS 36 HZ3 LYS 36 31.920 -31.225 32.756 212 H ALA 37 H ALA 37 27.278 -25.524 32.998 213 HA ALA 37 HA ALA 37 28.931 -23.914 31.438 214 HB1 ALA 37 HB1 ALA 37 26.252 -22.870 32.169 215 HB2 ALA 37 HB2 ALA 37 27.021 -23.016 30.587 216 HB3 ALA 37 HB3 ALA 37 26.331 -24.438 31.367 217 H ASP 38 H ASP 38 27.772 -23.483 34.689 218 HA ASP 38 HA ASP 38 28.447 -20.682 34.816 219 HB3 ASP 38 HB2 ASP 38 28.159 -22.153 37.353 220 H LYS 39 H LYS 39 29.855 -23.726 35.946 221 HA LYS 39 HA LYS 39 32.031 -22.554 37.331 222 HB3 LYS 39 HB2 LYS 39 32.945 -25.032 36.627 223 HG3 LYS 39 HG2 LYS 39 31.103 -25.508 38.704 224 HD3 LYS 39 HD2 LYS 39 33.144 -25.399 40.112 225 HE3 LYS 39 HE2 LYS 39 33.332 -26.831 37.470 226 HZ1 LYS 39 HZ1 LYS 39 35.279 -26.618 39.555 227 HZ2 LYS 39 HZ2 LYS 39 35.422 -27.298 38.013 228 HZ3 LYS 39 HZ3 LYS 39 34.806 -28.220 39.289 229 H VAL 40 H VAL 40 31.734 -23.950 34.078 230 HA VAL 40 HA VAL 40 34.405 -23.578 33.296 231 HB VAL 40 HB VAL 40 32.910 -25.020 32.032 232 HG11 VAL 40 HG11 VAL 40 30.934 -24.405 31.137 233 HG12 VAL 40 HG12 VAL 40 31.032 -23.105 32.326 234 HG13 VAL 40 HG13 VAL 40 31.526 -22.814 30.659 235 HG21 VAL 40 HG21 VAL 40 33.939 -22.682 30.430 236 HG22 VAL 40 HG22 VAL 40 34.829 -24.144 30.856 237 HG23 VAL 40 HG23 VAL 40 33.457 -24.236 29.751 238 H ALA 41 H ALA 41 31.605 -21.446 33.161 239 HA ALA 41 HA ALA 41 32.938 -19.406 31.648 240 HB1 ALA 41 HB1 ALA 41 30.672 -19.279 31.331 241 HB2 ALA 41 HB2 ALA 41 30.304 -19.658 33.013 242 HB3 ALA 41 HB3 ALA 41 30.891 -18.053 32.578 243 H GLY 42 H GLY 42 32.160 -19.914 35.070 244 HA2 GLY 42 HA2 GLY 42 33.183 -17.405 35.946 245 HA3 GLY 42 HA3 GLY 42 32.840 -18.796 36.963 246 H LYS 43 H LYS 43 34.608 -20.582 35.501 247 HA LYS 43 HA LYS 43 36.989 -20.113 36.949 248 HB3 LYS 43 HB2 LYS 43 37.772 -21.934 35.113 249 HG3 LYS 43 HG2 LYS 43 36.915 -23.707 36.565 250 HD3 LYS 43 HD2 LYS 43 37.625 -22.074 38.760 251 HE3 LYS 43 HE2 LYS 43 38.372 -24.436 37.917 252 HZ1 LYS 43 HZ1 LYS 43 40.354 -24.529 36.755 253 HZ2 LYS 43 HZ2 LYS 43 40.733 -22.905 37.033 254 HZ3 LYS 43 HZ3 LYS 43 39.515 -23.313 35.932 255 H VAL 44 H VAL 44 35.920 -19.134 33.817 256 HA VAL 44 HA VAL 44 38.636 -18.313 33.059 257 HB VAL 44 HB VAL 44 37.462 -19.577 31.351 258 HG11 VAL 44 HG11 VAL 44 35.375 -17.401 31.450 259 HG12 VAL 44 HG12 VAL 44 35.413 -18.756 30.319 260 HG13 VAL 44 HG13 VAL 44 35.172 -19.049 32.041 261 HG21 VAL 44 HG21 VAL 44 38.617 -17.042 31.009 262 HG22 VAL 44 HG22 VAL 44 38.467 -18.328 29.811 263 HG23 VAL 44 HG23 VAL 44 37.216 -17.091 29.940 264 H GLN 45 H GLN 45 39.227 -16.227 32.991 265 HA GLN 45 HA GLN 45 37.151 -14.211 33.539 266 HB3 GLN 45 HB2 GLN 45 39.391 -12.928 34.271 267 HG3 GLN 45 HG2 GLN 45 39.012 -13.590 36.577 268 HE21 GLN 45 HE21 GLN 45 36.164 -14.257 37.052 269 HE22 GLN 45 HE22 GLN 45 35.284 -12.850 36.572 270 HA PRO 46 HA PRO 46 38.861 -13.329 29.313 271 HB3 PRO 46 HB2 PRO 46 37.135 -14.455 28.300 272 HG3 PRO 46 HG2 PRO 46 35.114 -14.796 29.400 273 HD3 PRO 46 HD2 PRO 46 36.578 -15.528 31.022 274 H GLU 47 H GLU 47 36.167 -11.698 30.981 275 HA GLU 47 HA GLU 47 36.317 -9.217 29.795 276 HB3 GLU 47 HB2 GLU 47 35.723 -8.538 32.365 277 HG3 GLU 47 HG2 GLU 47 34.031 -9.700 30.200 278 H ASP 48 H ASP 48 37.569 -9.656 33.085 279 HA ASP 48 HA ASP 48 40.222 -8.952 32.608 280 HB3 ASP 48 HB2 ASP 48 39.649 -6.795 31.892 281 H ASN 49 H ASN 49 40.557 -10.483 34.201 282 HA ASN 49 HA ASN 49 40.817 -9.586 36.831 283 HB3 ASN 49 HB2 ASN 49 38.789 -11.670 37.077 284 HD21 ASN 49 HD21 ASN 49 39.059 -8.150 37.461 285 HD22 ASN 49 HD22 ASN 49 38.840 -8.151 39.173 286 H LYS 50 H LYS 50 42.254 -11.054 34.828 287 HA LYS 50 HA LYS 50 42.619 -13.649 36.176 288 HB3 LYS 50 HB2 LYS 50 41.974 -13.644 33.724 289 HG3 LYS 50 HG2 LYS 50 44.677 -13.333 32.782 290 HD3 LYS 50 HD2 LYS 50 41.936 -12.399 32.051 291 HE3 LYS 50 HE2 LYS 50 43.820 -11.594 30.066 292 HZ1 LYS 50 HZ1 LYS 50 42.102 -10.228 29.857 293 HZ2 LYS 50 HZ2 LYS 50 42.682 -9.361 31.189 294 HZ3 LYS 50 HZ3 LYS 50 41.528 -10.580 31.409 295 H GLY 51 H GLY 51 43.888 -10.631 36.055 296 HA2 GLY 51 HA2 GLY 51 45.953 -10.596 37.568 297 HA3 GLY 51 HA3 GLY 51 46.672 -11.570 36.294 298 H VAL 52 H VAL 52 46.683 -8.585 37.499 299 HA VAL 52 HA VAL 52 46.315 -6.890 35.282 300 HB VAL 52 HB VAL 52 48.170 -6.454 37.628 301 HG11 VAL 52 HG11 VAL 52 47.849 -4.080 37.150 302 HG12 VAL 52 HG12 VAL 52 48.557 -4.918 35.767 303 HG13 VAL 52 HG13 VAL 52 46.847 -4.490 35.759 304 HG21 VAL 52 HG21 VAL 52 45.823 -7.010 38.262 305 HG22 VAL 52 HG22 VAL 52 46.337 -5.395 38.752 306 HG23 VAL 52 HG23 VAL 52 45.293 -5.600 37.345 307 H PHE 53 H PHE 53 48.906 -8.990 36.189 308 HA PHE 53 HA PHE 53 50.637 -7.810 34.125 309 HB3 PHE 53 HB2 PHE 53 52.192 -9.662 35.428 310 HD1 PHE 53 HD1 PHE 53 53.163 -7.703 33.891 311 HD2 PHE 53 HD2 PHE 53 51.901 -7.284 37.934 312 HE1 PHE 53 HE1 PHE 53 54.587 -5.709 34.126 313 HE2 PHE 53 HE2 PHE 53 53.322 -5.290 38.176 314 HZ PHE 53 HZ PHE 53 54.667 -4.500 36.270 315 H GLN 54 H GLN 54 49.642 -10.977 35.417 316 HA GLN 54 HA GLN 54 50.680 -12.556 33.374 317 HB3 GLN 54 HB2 GLN 54 48.339 -13.843 34.164 318 HG3 GLN 54 HG2 GLN 54 50.227 -14.483 36.110 319 HE21 GLN 54 HE21 GLN 54 49.782 -14.980 32.623 320 HE22 GLN 54 HE22 GLN 54 49.498 -16.680 32.729 321 H GLY 55 H GLY 55 47.876 -10.527 33.433 322 HA2 GLY 55 HA2 GLY 55 46.266 -11.650 31.478 323 HA3 GLY 55 HA3 GLY 55 46.409 -9.924 31.772 324 H VAL 56 H VAL 56 49.327 -10.041 31.117 325 HA VAL 56 HA VAL 56 49.221 -9.215 28.472 326 HB VAL 56 HB VAL 56 51.112 -8.696 29.933 327 HG11 VAL 56 HG11 VAL 56 52.220 -10.243 31.080 328 HG12 VAL 56 HG12 VAL 56 51.110 -11.453 30.433 329 HG13 VAL 56 HG13 VAL 56 52.631 -11.115 29.603 330 HG21 VAL 56 HG21 VAL 56 52.613 -8.533 28.238 331 HG22 VAL 56 HG22 VAL 56 52.437 -10.224 27.770 332 HG23 VAL 56 HG23 VAL 56 51.217 -9.046 27.288 333 H HIS 57 H HIS 57 49.439 -12.420 29.787 334 HA HIS 57 HA HIS 57 50.176 -13.600 27.235 335 HB3 HIS 57 HB2 HIS 57 49.443 -14.969 29.831 336 HD1 HIS 57 HD1 HIS 57 50.810 -15.455 26.360 337 HD2 HIS 57 HD2 HIS 57 49.912 -17.692 29.744 338 HE1 HIS 57 HE1 HIS 57 50.992 -17.858 25.644 339 H ASP 58 H ASP 58 47.463 -13.904 29.532 340 HA ASP 58 HA ASP 58 45.802 -15.456 27.928 341 HB3 ASP 58 HB2 ASP 58 44.351 -13.493 29.538 342 H SER 59 H SER 59 46.564 -12.090 27.751 343 HA SER 59 HA SER 59 44.367 -11.026 26.457 344 HB3 SER 59 HB2 SER 59 46.304 -9.653 25.222 345 HG SER 59 HG SER 59 46.484 -8.982 27.802 346 H ALA 60 H ALA 60 46.839 -13.154 25.231 347 HA ALA 60 HA ALA 60 46.102 -12.782 22.464 348 HB1 ALA 60 HB1 ALA 60 48.351 -13.300 22.698 349 HB2 ALA 60 HB2 ALA 60 48.042 -14.551 23.902 350 HB3 ALA 60 HB3 ALA 60 47.643 -14.839 22.208 351 H GLU 61 H GLU 61 45.347 -14.990 25.064 352 HA GLU 61 HA GLU 61 44.328 -17.160 23.688 353 HB3 GLU 61 HB2 GLU 61 43.189 -15.961 26.219 354 HG3 GLU 61 HG2 GLU 61 43.338 -18.880 25.636 355 H LYS 62 H LYS 62 42.233 -14.659 25.122 356 HA LYS 62 HA LYS 62 40.450 -14.958 22.793 357 HB3 LYS 62 HB2 LYS 62 38.889 -13.911 24.825 358 HG3 LYS 62 HG2 LYS 62 38.882 -16.829 24.780 359 HD3 LYS 62 HD2 LYS 62 36.820 -14.872 23.789 360 HE3 LYS 62 HE2 LYS 62 36.813 -17.575 23.687 361 HZ1 LYS 62 HZ1 LYS 62 36.469 -18.419 25.696 362 HZ2 LYS 62 HZ2 LYS 62 34.940 -17.699 25.676 363 HZ3 LYS 62 HZ3 LYS 62 36.243 -16.896 26.395 364 H GLY 63 H GLY 63 41.497 -12.692 25.333 365 HA2 GLY 63 HA2 GLY 63 41.953 -10.437 25.199 366 HA3 GLY 63 HA3 GLY 63 41.802 -10.563 23.453 367 H LYS 64 H LYS 64 39.385 -11.320 25.927 368 HA LYS 64 HA LYS 64 37.375 -9.842 24.535 369 HB3 LYS 64 HB2 LYS 64 37.123 -10.802 27.373 370 HG3 LYS 64 HG2 LYS 64 35.018 -11.390 25.434 371 HD3 LYS 64 HD2 LYS 64 35.233 -10.279 28.213 372 HE3 LYS 64 HE2 LYS 64 33.208 -9.602 26.363 373 HZ1 LYS 64 HZ1 LYS 64 32.514 -11.987 27.462 374 HZ2 LYS 64 HZ2 LYS 64 31.440 -10.851 26.819 375 HZ3 LYS 64 HZ3 LYS 64 31.753 -10.872 28.481 376 H ASP 65 H ASP 65 39.589 -9.153 27.106 377 HA ASP 65 HA ASP 65 38.347 -7.088 28.455 378 HB3 ASP 65 HB2 ASP 65 41.267 -7.012 27.708 379 H ASN 66 H ASN 66 37.331 -5.400 27.603 380 HA ASN 66 HA ASN 66 38.549 -4.046 25.288 381 HB3 ASN 66 HB2 ASN 66 35.971 -3.083 25.452 382 HD21 ASN 66 HD21 ASN 66 36.339 -6.418 24.517 383 HD22 ASN 66 HD22 ASN 66 36.447 -6.134 22.815 384 H ALA 67 H ALA 67 37.343 -3.666 28.528 385 HA ALA 67 HA ALA 67 37.095 -0.886 28.662 386 HB1 ALA 67 HB1 ALA 67 37.554 -1.206 31.118 387 HB2 ALA 67 HB2 ALA 67 36.245 -2.185 30.453 388 HB3 ALA 67 HB3 ALA 67 37.821 -2.914 30.763 389 H GLU 68 H GLU 68 38.520 0.728 28.626 390 HA GLU 68 HA GLU 68 41.078 0.687 29.761 391 HB3 GLU 68 HB2 GLU 68 41.483 0.787 26.830 392 HG3 GLU 68 HG2 GLU 68 43.054 -0.709 28.904 393 H GLY 69 H GLY 69 38.957 2.005 27.287 394 HA2 GLY 69 HA2 GLY 69 39.151 4.639 28.278 395 HA3 GLY 69 HA3 GLY 69 40.208 4.475 26.883 396 H GLN 70 H GLN 70 39.215 5.506 25.267 397 HA GLN 70 HA GLN 70 37.668 6.058 23.696 398 HB3 GLN 70 HB2 GLN 70 35.858 3.809 24.110 399 HG3 GLN 70 HG2 GLN 70 36.411 5.208 21.978 400 HE21 GLN 70 HE21 GLN 70 38.265 5.905 21.149 401 HE22 GLN 70 HE22 GLN 70 39.559 4.902 20.603 402 H GLY 71 H GLY 71 36.697 7.845 24.533 403 HA2 GLY 71 HA2 GLY 71 35.009 8.023 26.714 404 HA3 GLY 71 HA3 GLY 71 34.966 9.121 25.341 405 H GLU 72 H GLU 72 32.754 8.156 26.969 406 HA GLU 72 HA GLU 72 31.299 6.198 25.497 407 HB3 GLU 72 HB2 GLU 72 29.354 7.378 26.890 408 HG3 GLU 72 HG2 GLU 72 31.469 5.868 28.392 409 H SER 73 H SER 73 30.827 6.636 23.425 410 HA SER 73 HA SER 73 30.228 9.239 22.451 411 HB3 SER 73 HB2 SER 73 30.981 8.036 20.678 412 HG SER 73 HG SER 73 31.409 6.096 21.515 413 H LEU 74 H LEU 74 28.478 10.181 23.380 414 HA LEU 74 HA LEU 74 26.110 8.978 24.166 415 HB3 LEU 74 HB2 LEU 74 26.594 11.777 23.158 416 HG LEU 74 HG LEU 74 24.169 11.350 23.167 417 HD11 LEU 74 HD11 LEU 74 23.480 11.206 25.823 418 HD12 LEU 74 HD12 LEU 74 24.832 10.081 25.700 419 HD13 LEU 74 HD13 LEU 74 23.420 9.877 24.665 420 HD21 LEU 74 HD21 LEU 74 25.451 13.229 25.091 421 HD22 LEU 74 HD22 LEU 74 23.691 13.104 25.065 422 HD23 LEU 74 HD23 LEU 74 24.566 13.565 23.604 423 H ALA 75 H ALA 75 27.189 9.890 20.996 424 HA ALA 75 HA ALA 75 24.828 10.116 19.584 425 HB1 ALA 75 HB1 ALA 75 26.480 8.720 17.862 426 HB2 ALA 75 HB2 ALA 75 26.410 10.471 18.057 427 HB3 ALA 75 HB3 ALA 75 27.598 9.530 18.957 428 H ASP 76 H ASP 76 26.350 7.258 20.885 429 HA ASP 76 HA ASP 76 24.749 5.400 19.395 430 HB3 ASP 76 HB2 ASP 76 25.879 4.388 21.892 431 H GLN 77 H GLN 77 24.566 6.958 22.532 432 HA GLN 77 HA GLN 77 22.404 5.341 23.491 433 HB3 GLN 77 HB2 GLN 77 22.288 7.574 25.031 434 HG3 GLN 77 HG2 GLN 77 22.649 5.547 26.120 435 HE21 GLN 77 HE21 GLN 77 25.986 6.085 25.134 436 HE22 GLN 77 HE22 GLN 77 26.264 4.485 24.547 437 H ALA 78 H ALA 78 22.702 8.277 21.649 438 HA ALA 78 HA ALA 78 20.045 9.216 22.032 439 HB1 ALA 78 HB1 ALA 78 22.380 10.018 20.550 440 HB2 ALA 78 HB2 ALA 78 20.928 10.171 19.561 441 HB3 ALA 78 HB3 ALA 78 21.022 10.991 21.120 442 H ARG 79 H ARG 79 21.612 7.398 19.403 443 HA ARG 79 HA ARG 79 19.393 7.155 17.733 444 HB3 ARG 79 HB2 ARG 79 20.708 4.833 17.250 445 HG3 ARG 79 HG2 ARG 79 22.425 6.683 16.110 446 HD3 ARG 79 HD2 ARG 79 21.084 4.750 15.114 447 HE ARG 79 HE ARG 79 18.836 5.170 15.103 448 HH11 ARG 79 HH11 ARG 79 20.528 8.030 14.070 449 HH12 ARG 79 HH12 ARG 79 19.087 8.881 13.627 450 HH21 ARG 79 HH21 ARG 79 16.930 6.280 14.522 451 HH22 ARG 79 HH22 ARG 79 17.039 7.886 13.885 452 H ASP 80 H ASP 80 20.197 5.505 20.674 453 HA ASP 80 HA ASP 80 18.395 3.308 20.294 454 HB3 ASP 80 HB2 ASP 80 19.081 3.978 23.065 455 H TYR 81 H TYR 81 18.298 6.369 22.073 456 HA TYR 81 HA TYR 81 15.708 5.919 23.178 457 HB3 TYR 81 HB2 TYR 81 17.208 8.521 22.807 458 HD1 TYR 81 HD2 TYR 81 14.516 6.732 24.651 459 HD2 TYR 81 HD1 TYR 81 16.284 10.477 23.684 460 HE1 TYR 81 HE2 TYR 81 12.636 7.891 25.733 461 HE2 TYR 81 HE1 TYR 81 14.411 11.649 24.765 462 HH TYR 81 HH TYR 81 11.868 9.870 26.461 463 H MET 82 H MET 82 16.929 7.673 20.361 464 HA MET 82 HA MET 82 14.497 8.854 19.588 465 HB3 MET 82 HB2 MET 82 15.747 8.604 17.223 466 HG3 MET 82 HG2 MET 82 17.233 10.575 17.963 467 HE1 MET 82 HE1 MET 82 15.278 11.007 15.350 468 HE2 MET 82 HE2 MET 82 15.405 12.685 15.878 469 HE3 MET 82 HE3 MET 82 16.741 11.567 16.163 470 H GLY 83 H GLY 83 16.098 5.919 18.331 471 HA2 GLY 83 HA2 GLY 83 14.089 5.117 16.581 472 HA3 GLY 83 HA3 GLY 83 15.228 4.029 17.360 473 H ALA 84 H ALA 84 14.301 4.731 20.054 474 HA ALA 84 HA ALA 84 12.195 2.804 20.241 475 HB1 ALA 84 HB1 ALA 84 12.260 3.559 22.709 476 HB2 ALA 84 HB2 ALA 84 13.661 2.724 22.037 477 HB3 ALA 84 HB3 ALA 84 13.687 4.477 22.224 478 H ALA 85 H ALA 85 12.362 6.254 20.062 479 HA ALA 85 HA ALA 85 9.771 6.762 21.178 480 HB1 ALA 85 HB1 ALA 85 10.717 8.768 21.314 481 HB2 ALA 85 HB2 ALA 85 11.983 8.321 20.170 482 HB3 ALA 85 HB3 ALA 85 10.440 8.940 19.582 483 H LYS 86 H LYS 86 11.073 6.234 17.960 484 HA LYS 86 HA LYS 86 8.814 7.059 16.488 485 HB3 LYS 86 HB2 LYS 86 9.786 5.588 14.681 486 HG3 LYS 86 HG2 LYS 86 10.982 7.907 15.874 487 HD3 LYS 86 HD2 LYS 86 12.800 5.719 15.176 488 HE3 LYS 86 HE2 LYS 86 12.844 7.162 13.109 489 HZ1 LYS 86 HZ1 LYS 86 13.050 9.342 13.307 490 HZ2 LYS 86 HZ2 LYS 86 14.498 9.169 14.163 491 HZ3 LYS 86 HZ3 LYS 86 13.025 9.211 14.993 492 H SER 87 H SER 87 9.880 3.779 17.394 493 HA SER 87 HA SER 87 7.621 2.436 16.428 494 HB3 SER 87 HB2 SER 87 8.974 1.352 18.846 495 HG SER 87 HG SER 87 8.751 -0.501 17.740 496 H LYS 88 H LYS 88 8.336 3.743 19.643 497 HA LYS 88 HA LYS 88 5.990 2.820 20.904 498 HB3 LYS 88 HB2 LYS 88 6.489 4.754 22.517 499 HG3 LYS 88 HG2 LYS 88 8.578 3.755 23.377 500 HD3 LYS 88 HD2 LYS 88 7.259 1.274 22.800 501 HE3 LYS 88 HE2 LYS 88 6.709 2.847 25.262 502 HZ1 LYS 88 HZ1 LYS 88 7.213 0.730 26.296 503 HZ2 LYS 88 HZ2 LYS 88 7.651 0.069 24.802 504 HZ3 LYS 88 HZ3 LYS 88 6.047 0.525 25.086 505 H LEU 89 H LEU 89 6.779 6.002 19.513 506 HA LEU 89 HA LEU 89 4.395 7.301 20.003 507 HB3 LEU 89 HB2 LEU 89 6.165 7.536 17.574 508 HG LEU 89 HG LEU 89 4.226 8.791 17.027 509 HD11 LEU 89 HD11 LEU 89 2.844 9.246 18.723 510 HD12 LEU 89 HD12 LEU 89 3.806 10.709 18.931 511 HD13 LEU 89 HD13 LEU 89 4.152 9.279 19.905 512 HD21 LEU 89 HD21 LEU 89 5.462 10.512 16.369 513 HD22 LEU 89 HD22 LEU 89 6.728 9.983 17.475 514 HD23 LEU 89 HD23 LEU 89 5.521 11.151 18.012 515 H ASN 90 H ASN 90 5.263 5.490 17.056 516 HA ASN 90 HA ASN 90 2.799 5.726 15.768 517 HB3 ASN 90 HB2 ASN 90 4.181 3.169 15.331 518 HD21 ASN 90 HD21 ASN 90 4.992 5.879 13.412 519 HD22 ASN 90 HD22 ASN 90 3.885 5.580 12.120 520 H ASP 91 H ASP 91 3.821 3.652 18.356 521 HA ASP 91 HA ASP 91 1.738 1.723 18.112 522 HB3 ASP 91 HB2 ASP 91 2.673 1.996 20.824 523 H ALA 92 H ALA 92 2.091 4.770 19.825 524 HA ALA 92 HA ALA 92 -0.389 4.466 21.265 525 HB1 ALA 92 HB1 ALA 92 0.506 6.022 22.566 526 HB2 ALA 92 HB2 ALA 92 1.890 6.118 21.477 527 HB3 ALA 92 HB3 ALA 92 0.501 7.176 21.232 528 H VAL 93 H VAL 93 0.778 6.432 18.546 529 HA VAL 93 HA VAL 93 -1.486 7.943 18.059 530 HB VAL 93 HB VAL 93 0.282 6.780 15.906 531 HG11 VAL 93 HG11 VAL 93 -1.212 9.396 15.991 532 HG12 VAL 93 HG12 VAL 93 -0.321 8.717 14.627 533 HG13 VAL 93 HG13 VAL 93 -1.801 7.940 15.190 534 HG21 VAL 93 HG21 VAL 93 0.966 8.509 18.082 535 HG22 VAL 93 HG22 VAL 93 1.994 7.887 16.791 536 HG23 VAL 93 HG23 VAL 93 1.100 9.392 16.562 537 H GLU 94 H GLU 94 -0.642 4.826 16.540 538 HA GLU 94 HA GLU 94 -2.894 4.449 15.011 539 HB3 GLU 94 HB2 GLU 94 -2.206 1.937 16.192 540 HG3 GLU 94 HG2 GLU 94 -0.781 2.267 13.792 541 H TYR 95 H TYR 95 -2.480 3.910 18.460 542 HA TYR 95 HA TYR 95 -5.035 2.658 18.812 543 HB3 TYR 95 HB2 TYR 95 -3.256 3.924 20.904 544 HD1 TYR 95 HD2 TYR 95 -5.433 4.571 22.050 545 HD2 TYR 95 HD1 TYR 95 -4.357 0.532 21.253 546 HE1 TYR 95 HE2 TYR 95 -7.051 3.814 23.739 547 HE2 TYR 95 HE1 TYR 95 -5.975 -0.237 22.939 548 HH TYR 95 HH TYR 95 -7.084 1.251 25.238 549 H VAL 96 H VAL 96 -3.728 5.908 19.266 550 HA VAL 96 HA VAL 96 -6.014 7.040 20.474 551 HB VAL 96 HB VAL 96 -3.958 8.457 18.773 552 HG11 VAL 96 HG11 VAL 96 -6.093 9.671 19.330 553 HG12 VAL 96 HG12 VAL 96 -5.620 9.564 21.026 554 HG13 VAL 96 HG13 VAL 96 -4.611 10.449 19.881 555 HG21 VAL 96 HG21 VAL 96 -3.704 7.144 21.318 556 HG22 VAL 96 HG22 VAL 96 -2.469 7.941 20.345 557 HG23 VAL 96 HG23 VAL 96 -3.429 8.877 21.491 558 H SER 97 H SER 97 -4.893 7.094 17.092 559 HA SER 97 HA SER 97 -7.046 8.532 16.038 560 HB3 SER 97 HB2 SER 97 -6.089 6.568 14.149 561 HG SER 97 HG SER 97 -5.410 8.435 13.100 562 H GLY 98 H GLY 98 -6.712 5.149 16.848 563 HA2 GLY 98 HA2 GLY 98 -9.087 4.327 15.445 564 HA3 GLY 98 HA3 GLY 98 -8.150 3.356 16.571 565 H ARG 99 H ARG 99 -8.394 5.637 18.564 566 HA ARG 99 HA ARG 99 -10.903 4.715 19.705 567 HB3 ARG 99 HB2 ARG 99 -9.880 6.534 21.486 568 HG3 ARG 99 HG2 ARG 99 -8.549 4.343 22.294 569 HD3 ARG 99 HD2 ARG 99 -11.443 4.019 22.588 570 HE ARG 99 HE ARG 99 -9.334 3.520 24.197 571 HH11 ARG 99 HH11 ARG 99 -12.120 5.587 24.502 572 HH12 ARG 99 HH12 ARG 99 -12.189 5.459 26.228 573 HH21 ARG 99 HH21 ARG 99 -9.414 3.346 26.471 574 HH22 ARG 99 HH22 ARG 99 -10.649 4.186 27.348 575 H VAL 100 H VAL 100 -9.374 7.809 18.847 576 HA VAL 100 HA VAL 100 -11.388 9.550 19.564 577 HB VAL 100 HB VAL 100 -9.585 9.735 17.146 578 HG11 VAL 100 HG11 VAL 100 -11.759 11.394 17.983 579 HG12 VAL 100 HG12 VAL 100 -10.246 12.287 18.142 580 HG13 VAL 100 HG13 VAL 100 -10.694 11.577 16.591 581 HG21 VAL 100 HG21 VAL 100 -8.856 9.665 19.771 582 HG22 VAL 100 HG22 VAL 100 -7.942 10.462 18.492 583 HG23 VAL 100 HG23 VAL 100 -9.047 11.397 19.499 584 H HIS 101 H HIS 101 -11.073 7.660 16.590 585 HA HIS 101 HA HIS 101 -13.153 8.741 15.114 586 HB3 HIS 101 HB2 HIS 101 -13.337 6.274 14.232 587 HD1 HIS 101 HD1 HIS 101 -10.365 5.640 13.217 588 HD2 HIS 101 HD2 HIS 101 -12.276 9.329 13.184 589 HE1 HIS 101 HE1 HIS 101 -9.211 6.978 11.429 590 H GLY 102 H GLY 102 -15.288 8.810 15.367 591 HA2 GLY 102 HA2 GLY 102 -17.139 7.012 15.928 592 HA3 GLY 102 HA3 GLY 102 -16.487 7.265 17.540 593 H GLU 103 H GLU 103 -15.955 10.143 16.833 594 HA GLU 103 HA GLU 103 -18.638 11.225 16.546 595 HB3 GLU 103 HB2 GLU 103 -17.920 12.681 18.693 596 HG3 GLU 103 HG2 GLU 103 -19.046 10.245 19.716 597 H GLU 104 H GLU 104 -17.738 12.101 14.624 598 HA GLU 104 HA GLU 104 -15.434 13.620 14.401 599 HB3 GLU 104 HB2 GLU 104 -17.596 14.720 12.804 600 HG3 GLU 104 HG2 GLU 104 -15.129 14.620 12.240 601 H ASP 105 H ASP 105 -15.082 15.899 14.324 602 HA ASP 105 HA ASP 105 -16.311 17.289 16.498 603 HB3 ASP 105 HB2 ASP 105 -14.875 19.226 15.332 604 HA PRO 106 HA PRO 106 -19.491 19.563 14.512 605 HB3 PRO 106 HB2 PRO 106 -19.901 20.576 16.534 606 HG3 PRO 106 HG2 PRO 106 -18.158 21.174 17.951 607 HD3 PRO 106 HD2 PRO 106 -17.576 18.990 17.509 608 H THR 107 H THR 107 -19.985 21.414 13.132 609 HA THR 107 HA THR 107 -17.926 23.120 12.149 610 HB THR 107 HB THR 107 -18.579 21.842 9.742 611 HG1 THR 107 HG1 THR 107 -18.911 19.836 10.335 612 HG21 THR 107 HG21 THR 107 -16.158 22.153 11.449 613 HG22 THR 107 HG22 THR 107 -16.470 22.737 9.815 614 HG23 THR 107 HG23 THR 107 -16.078 21.039 10.084 615 H LYS 108 H LYS 108 -18.689 24.626 10.574 616 HA LYS 108 HA LYS 108 -21.530 24.523 9.907 617 HB3 LYS 108 HB2 LYS 108 -21.375 25.740 12.053 618 HG3 LYS 108 HG2 LYS 108 -19.051 26.804 11.199 619 HD3 LYS 108 HD2 LYS 108 -20.443 28.229 9.585 620 HE3 LYS 108 HE2 LYS 108 -20.828 30.285 11.575 621 HZ1 LYS 108 HZ1 LYS 108 -23.150 29.267 10.237 622 HZ2 LYS 108 HZ2 LYS 108 -21.881 29.595 9.170 623 HZ3 LYS 108 HZ3 LYS 108 -22.467 30.814 10.186 624 H LYS 109 H LYS 109 -22.128 26.325 8.390 625 HA LYS 109 HA LYS 109 -20.442 26.321 6.159 626 HB3 LYS 109 HB2 LYS 109 -22.420 28.529 6.537 627 HG3 LYS 109 HG2 LYS 109 -22.448 26.645 4.247 628 HD3 LYS 109 HD2 LYS 109 -23.202 29.436 4.860 629 HE3 LYS 109 HE2 LYS 109 -21.861 28.612 2.330 630 HZ1 LYS 109 HZ1 LYS 109 -23.769 29.180 1.265 631 HZ2 LYS 109 HZ2 LYS 109 -23.120 30.729 1.459 632 HZ3 LYS 109 HZ3 LYS 109 -24.323 30.181 2.513
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