NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23410 | 2jvf | 15478 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H HIS -1 H HIS -1 1.769 14.657 -0.113 2 HA HIS -1 HA HIS -1 -0.780 14.826 1.339 3 HD2 HIS -1 HD2 HIS -1 0.945 11.288 3.307 4 HE1 HIS -1 HE1 HIS -1 4.363 10.998 0.968 5 HE2 HIS -1 HE2 HIS -1 3.235 10.049 3.048 6 HB2 HIS -1 1HB HIS -1 -0.632 12.519 1.677 7 HB3 HIS -1 2HB HIS -1 -0.152 12.719 0.016 8 H MET 0 H MET 0 2.126 16.133 1.899 9 HA MET 0 HA MET 0 3.427 16.722 3.749 10 HB2 MET 0 1HB MET 0 1.217 17.767 4.313 11 HB3 MET 0 2HB MET 0 0.824 16.395 5.327 12 HG2 MET 0 1HG MET 0 1.652 18.211 6.751 13 HG3 MET 0 2HG MET 0 2.869 16.937 6.782 14 HE1 MET 0 3HE MET 0 1.861 20.229 4.648 15 HE2 MET 0 1HE MET 0 2.226 20.626 6.356 16 HE3 MET 0 2HE MET 0 3.316 21.188 5.055 17 H LYS 1 H LYS 1 1.865 14.638 6.046 18 HA LYS 1 HA LYS 1 3.640 12.300 5.497 19 HB2 LYS 1 1HB LYS 1 5.232 13.788 6.705 20 HB3 LYS 1 2HB LYS 1 4.119 13.975 8.037 21 HG2 LYS 1 1HG LYS 1 5.938 12.482 8.664 22 HG3 LYS 1 2HG LYS 1 4.419 11.609 8.713 23 HD2 LYS 1 1HD LYS 1 4.895 10.522 6.527 24 HD3 LYS 1 2HD LYS 1 6.402 11.432 6.350 25 HE2 LYS 1 1HE LYS 1 7.372 10.307 8.406 26 HE3 LYS 1 2HE LYS 1 5.829 9.498 8.714 27 HZ1 LYS 1 3HZ LYS 1 5.985 8.356 6.566 28 HZ2 LYS 1 1HZ LYS 1 7.451 9.053 6.196 29 HZ3 LYS 1 2HZ LYS 1 7.324 7.938 7.421 30 H VAL 2 H VAL 2 1.186 12.015 5.161 31 HA VAL 2 HA VAL 2 0.183 10.339 7.527 32 HB VAL 2 HB VAL 2 -1.453 12.356 5.899 33 HG11 VAL 2 1HG1 VAL 2 -2.862 10.330 6.267 34 HG12 VAL 2 2HG1 VAL 2 -2.516 10.357 8.016 35 HG13 VAL 2 3HG1 VAL 2 -3.459 11.665 7.248 36 HG21 VAL 2 3HG2 VAL 2 -2.032 13.440 8.086 37 HG22 VAL 2 1HG2 VAL 2 -0.971 12.306 8.953 38 HG23 VAL 2 2HG2 VAL 2 -0.293 13.485 7.810 39 H ASP 3 H ASP 3 1.162 8.587 6.347 40 HA ASP 3 HA ASP 3 -0.420 7.693 3.885 41 HB2 ASP 3 1HB ASP 3 2.018 6.074 4.626 42 HB3 ASP 3 2HB ASP 3 1.201 6.261 3.138 43 H ILE 4 H ILE 4 -2.153 6.531 4.376 44 HA ILE 4 HA ILE 4 -2.189 4.668 6.781 45 HB ILE 4 HB ILE 4 -4.437 5.479 4.871 46 HG12 ILE 4 1HG1 ILE 4 -5.322 6.372 7.337 47 HG13 ILE 4 2HG1 ILE 4 -3.608 6.517 7.628 48 HG21 ILE 4 1HG2 ILE 4 -4.731 3.752 7.405 49 HG22 ILE 4 2HG2 ILE 4 -6.041 4.346 6.361 50 HG23 ILE 4 3HG2 ILE 4 -4.872 3.186 5.733 51 HD11 ILE 4 3HD1 ILE 4 -4.608 8.655 6.782 52 HD12 ILE 4 1HD1 ILE 4 -3.428 8.065 5.598 53 HD13 ILE 4 2HD1 ILE 4 -5.169 7.848 5.304 54 H THR 5 H THR 5 -0.618 3.188 6.021 55 HA THR 5 HA THR 5 -1.129 1.706 3.460 56 HB THR 5 HB THR 5 1.313 1.427 5.278 57 HG1 THR 5 HG1 THR 5 0.752 3.393 3.235 58 HG21 THR 5 3HG2 THR 5 0.901 1.041 2.227 59 HG22 THR 5 1HG2 THR 5 2.466 0.953 3.058 60 HG23 THR 5 2HG2 THR 5 1.215 -0.260 3.401 61 H ILE 6 H ILE 6 -2.313 -0.120 3.467 62 HA ILE 6 HA ILE 6 -2.334 -1.933 5.947 63 HB ILE 6 HB ILE 6 -4.388 -1.877 3.678 64 HG12 ILE 6 1HG1 ILE 6 -5.913 -0.892 5.707 65 HG13 ILE 6 2HG1 ILE 6 -4.385 -0.235 6.259 66 HG21 ILE 6 1HG2 ILE 6 -4.285 -4.026 4.960 67 HG22 ILE 6 2HG2 ILE 6 -4.602 -3.157 6.476 68 HG23 ILE 6 3HG2 ILE 6 -5.825 -3.194 5.183 69 HD11 ILE 6 3HD1 ILE 6 -4.171 1.008 4.016 70 HD12 ILE 6 1HD1 ILE 6 -5.680 0.246 3.468 71 HD13 ILE 6 2HD1 ILE 6 -5.699 1.376 4.822 72 H LYS 7 H LYS 7 -0.735 -3.473 5.658 73 HA LYS 7 HA LYS 7 -0.718 -5.108 3.050 74 HB2 LYS 7 1HB LYS 7 1.327 -4.942 5.318 75 HB3 LYS 7 2HB LYS 7 1.174 -6.414 4.393 76 HG2 LYS 7 1HG LYS 7 1.512 -5.019 2.226 77 HG3 LYS 7 2HG LYS 7 1.969 -3.670 3.258 78 HD2 LYS 7 1HD LYS 7 3.751 -5.257 4.325 79 HD3 LYS 7 2HD LYS 7 3.329 -6.459 3.127 80 HE2 LYS 7 1HE LYS 7 4.473 -3.643 2.429 81 HE3 LYS 7 2HE LYS 7 5.438 -5.107 2.640 82 HZ1 LYS 7 3HZ LYS 7 5.023 -5.279 0.337 83 HZ2 LYS 7 1HZ LYS 7 3.664 -6.069 0.846 84 HZ3 LYS 7 2HZ LYS 7 3.624 -4.428 0.383 85 H ILE 8 H ILE 8 -2.379 -6.460 3.071 86 HA ILE 8 HA ILE 8 -3.045 -8.177 5.526 87 HB ILE 8 HB ILE 8 -4.372 -7.912 2.788 88 HG12 ILE 8 1HG1 ILE 8 -5.697 -7.476 5.534 89 HG13 ILE 8 2HG1 ILE 8 -4.799 -6.195 4.759 90 HG21 ILE 8 1HG2 ILE 8 -6.146 -9.563 3.613 91 HG22 ILE 8 2HG2 ILE 8 -4.569 -10.311 3.348 92 HG23 ILE 8 3HG2 ILE 8 -5.096 -9.948 5.003 93 HD11 ILE 8 3HD1 ILE 8 -7.194 -5.931 4.245 94 HD12 ILE 8 1HD1 ILE 8 -6.300 -6.251 2.742 95 HD13 ILE 8 2HD1 ILE 8 -7.274 -7.539 3.498 96 H GLN 9 H GLN 9 -1.697 -9.822 5.832 97 HA GLN 9 HA GLN 9 -0.375 -11.320 3.522 98 HB2 GLN 9 1HB GLN 9 1.053 -10.594 5.400 99 HB3 GLN 9 2HB GLN 9 0.092 -11.480 6.562 100 HG2 GLN 9 1HG GLN 9 1.449 -12.941 4.174 101 HG3 GLN 9 2HG GLN 9 2.371 -12.458 5.572 102 HE21 GLN 9 1HE2 GLN 9 0.099 -14.862 4.466 103 HE22 GLN 9 2HE2 GLN 9 0.222 -15.800 6.037 104 H ARG 10 H ARG 10 -1.813 -12.647 2.651 105 HA ARG 10 HA ARG 10 -3.882 -14.097 4.366 106 HE ARG 10 HE ARG 10 -6.501 -16.198 1.257 107 HB2 ARG 10 1HB ARG 10 -4.223 -12.466 2.119 108 HB3 ARG 10 2HB ARG 10 -3.964 -13.985 1.317 109 HG2 ARG 10 1HG ARG 10 -5.924 -14.778 3.152 110 HG3 ARG 10 2HG ARG 10 -6.212 -13.059 3.169 111 HD2 ARG 10 1HD ARG 10 -7.710 -13.823 1.504 112 HD3 ARG 10 2HD ARG 10 -6.388 -13.150 0.566 113 HH11 ARG 10 2HH1 ARG 10 -6.379 -13.775 -1.275 114 HH12 ARG 10 1HH1 ARG 10 -6.058 -15.068 -2.532 115 HH21 ARG 10 2HH2 ARG 10 -6.138 -17.590 -0.185 116 HH22 ARG 10 1HH2 ARG 10 -5.914 -17.090 -1.939 117 H ASP 11 H ASP 11 -4.595 -16.172 2.956 118 HA ASP 11 HA ASP 11 -2.507 -18.250 3.183 119 HB2 ASP 11 1HB ASP 11 -4.334 -19.749 2.345 120 HB3 ASP 11 2HB ASP 11 -4.713 -18.850 3.791 121 H GLY 12 H GLY 12 -0.879 -17.574 1.842 122 HA2 GLY 12 1HA GLY 12 0.441 -17.998 -0.200 123 HA3 GLY 12 2HA GLY 12 -1.001 -18.505 -1.039 124 H GLN 13 H GLN 13 -1.126 -15.333 0.436 125 HA GLN 13 HA GLN 13 -0.174 -13.871 -2.032 126 HB2 GLN 13 1HB GLN 13 -2.480 -14.722 -2.665 127 HB3 GLN 13 2HB GLN 13 -3.169 -13.928 -1.264 128 HG2 GLN 13 1HG GLN 13 -3.665 -12.602 -3.244 129 HG3 GLN 13 2HG GLN 13 -2.606 -11.658 -2.228 130 HE21 GLN 13 1HE2 GLN 13 -0.886 -10.713 -3.328 131 HE22 GLN 13 2HE2 GLN 13 -0.332 -11.318 -4.980 132 H GLU 14 H GLU 14 0.600 -11.926 -1.413 133 HA GLU 14 HA GLU 14 -0.530 -10.594 1.064 134 HB2 GLU 14 1HB GLU 14 1.140 -9.179 1.308 135 HB3 GLU 14 2HB GLU 14 1.943 -10.689 0.946 136 HG2 GLU 14 1HG GLU 14 2.724 -9.857 -1.248 137 HG3 GLU 14 2HG GLU 14 1.599 -8.497 -1.226 138 H ILE 15 H ILE 15 -1.820 -8.924 0.998 139 HA ILE 15 HA ILE 15 -2.504 -7.590 -1.703 140 HB ILE 15 HB ILE 15 -4.472 -8.105 0.592 141 HG12 ILE 15 1HG1 ILE 15 -5.661 -9.418 -1.497 142 HG13 ILE 15 2HG1 ILE 15 -4.007 -9.619 -2.028 143 HG21 ILE 15 1HG2 ILE 15 -4.959 -6.839 -2.183 144 HG22 ILE 15 2HG2 ILE 15 -6.208 -7.198 -0.961 145 HG23 ILE 15 3HG2 ILE 15 -4.972 -5.982 -0.624 146 HD11 ILE 15 3HD1 ILE 15 -3.487 -10.794 0.212 147 HD12 ILE 15 1HD1 ILE 15 -5.171 -10.521 0.713 148 HD13 ILE 15 2HD1 ILE 15 -4.804 -11.579 -0.673 149 H GLU 16 H GLU 16 -1.389 -5.752 -1.623 150 HA GLU 16 HA GLU 16 -1.324 -4.092 0.930 151 HB2 GLU 16 1HB GLU 16 0.839 -4.816 0.001 152 HB3 GLU 16 2HB GLU 16 0.533 -3.952 -1.495 153 HG2 GLU 16 1HG GLU 16 0.570 -1.749 -0.327 154 HG3 GLU 16 2HG GLU 16 0.540 -2.512 1.254 155 H ILE 17 H ILE 17 -2.541 -2.378 1.060 156 HA ILE 17 HA ILE 17 -3.117 -0.663 -1.399 157 HB ILE 17 HB ILE 17 -5.406 -0.093 -0.561 158 HG12 ILE 17 1HG1 ILE 17 -5.331 -2.719 1.041 159 HG13 ILE 17 2HG1 ILE 17 -5.189 -1.126 1.750 160 HG21 ILE 17 1HG2 ILE 17 -5.094 -3.003 -1.551 161 HG22 ILE 17 2HG2 ILE 17 -6.518 -1.960 -1.776 162 HG23 ILE 17 3HG2 ILE 17 -4.994 -1.562 -2.585 163 HD11 ILE 17 3HD1 ILE 17 -7.682 -2.116 0.227 164 HD12 ILE 17 1HD1 ILE 17 -7.516 -1.892 1.980 165 HD13 ILE 17 2HD1 ILE 17 -7.483 -0.476 0.901 166 H ASP 18 H ASP 18 -2.516 1.346 -1.136 167 HA ASP 18 HA ASP 18 -2.113 2.472 1.677 168 HB2 ASP 18 1HB ASP 18 -0.046 2.144 0.247 169 HB3 ASP 18 2HB ASP 18 -0.688 3.296 -0.921 170 H ILE 19 H ILE 19 -3.305 4.097 2.302 171 HA ILE 19 HA ILE 19 -4.729 5.925 0.244 172 HB ILE 19 HB ILE 19 -5.766 5.262 3.041 173 HG12 ILE 19 1HG1 ILE 19 -6.034 3.208 1.795 174 HG13 ILE 19 2HG1 ILE 19 -7.583 3.939 2.115 175 HG21 ILE 19 1HG2 ILE 19 -7.080 6.860 0.754 176 HG22 ILE 19 2HG2 ILE 19 -7.905 6.376 2.252 177 HG23 ILE 19 3HG2 ILE 19 -6.533 7.492 2.324 178 HD11 ILE 19 3HD1 ILE 19 -7.730 4.728 -0.306 179 HD12 ILE 19 1HD1 ILE 19 -6.127 4.017 -0.626 180 HD13 ILE 19 2HD1 ILE 19 -7.493 2.968 -0.194 181 H ARG 20 H ARG 20 -2.626 7.049 0.287 182 HA ARG 20 HA ARG 20 -2.020 8.614 2.757 183 HE ARG 20 HE ARG 20 1.670 7.433 -2.407 184 HB2 ARG 20 1HB ARG 20 0.041 9.268 1.778 185 HB3 ARG 20 2HB ARG 20 -0.197 7.546 1.646 186 HG2 ARG 20 1HG ARG 20 -0.744 7.727 -0.778 187 HG3 ARG 20 2HG ARG 20 -0.565 9.487 -0.719 188 HD2 ARG 20 1HD ARG 20 1.893 9.142 0.070 189 HD3 ARG 20 2HD ARG 20 1.638 7.421 -0.008 190 HH11 ARG 20 2HH1 ARG 20 1.639 10.735 -1.273 191 HH12 ARG 20 1HH1 ARG 20 1.847 11.402 -2.960 192 HH21 ARG 20 2HH2 ARG 20 1.945 8.231 -4.306 193 HH22 ARG 20 1HH2 ARG 20 2.021 10.031 -4.587 194 H VAL 21 H VAL 21 -2.583 10.570 3.268 195 HA VAL 21 HA VAL 21 -3.859 12.460 1.243 196 HB VAL 21 HB VAL 21 -6.023 12.483 2.550 197 HG11 VAL 21 1HG1 VAL 21 -5.498 9.760 1.231 198 HG12 VAL 21 2HG1 VAL 21 -7.071 10.556 1.459 199 HG13 VAL 21 3HG1 VAL 21 -5.865 11.266 0.364 200 HG21 VAL 21 3HG2 VAL 21 -5.309 11.371 4.708 201 HG22 VAL 21 1HG2 VAL 21 -6.719 10.566 3.985 202 HG23 VAL 21 2HG2 VAL 21 -5.100 9.836 3.844 203 H SER 22 H SER 22 -3.946 14.565 1.839 204 HA SER 22 HA SER 22 -3.667 15.291 4.798 205 HG SER 22 HG SER 22 -2.211 17.220 5.341 206 HB2 SER 22 1HB SER 22 -1.533 15.920 3.635 207 HB3 SER 22 2HB SER 22 -2.429 16.934 2.505 208 H THR 23 H THR 23 -5.669 15.704 5.284 209 HA THR 23 HA THR 23 -7.163 17.967 4.065 210 HB THR 23 HB THR 23 -7.725 16.525 2.287 211 HG1 THR 23 HG1 THR 23 -10.026 16.367 3.894 212 HG21 THR 23 3HG2 THR 23 -7.412 14.226 3.282 213 HG22 THR 23 1HG2 THR 23 -8.940 14.406 4.175 214 HG23 THR 23 2HG2 THR 23 -8.936 14.402 2.393 215 H GLY 24 H GLY 24 -8.092 15.079 5.889 216 HA2 GLY 24 1HA GLY 24 -9.073 15.488 8.373 217 HA3 GLY 24 2HA GLY 24 -9.851 16.891 7.656 218 H LYS 25 H LYS 25 -10.614 13.954 8.567 219 HA LYS 25 HA LYS 25 -12.608 12.812 8.397 220 HB2 LYS 25 1HB LYS 25 -13.432 15.230 6.726 221 HB3 LYS 25 2HB LYS 25 -14.540 13.905 6.887 222 HG2 LYS 25 1HG LYS 25 -13.312 15.429 9.282 223 HG3 LYS 25 2HG LYS 25 -14.873 15.769 8.547 224 HD2 LYS 25 1HD LYS 25 -15.477 13.218 9.042 225 HD3 LYS 25 2HD LYS 25 -14.029 13.184 10.033 226 HE2 LYS 25 1HE LYS 25 -14.976 15.239 11.342 227 HE3 LYS 25 2HE LYS 25 -16.469 15.049 10.395 228 HZ1 LYS 25 3HZ LYS 25 -15.246 12.810 12.065 229 HZ2 LYS 25 1HZ LYS 25 -16.609 13.663 12.524 230 HZ3 LYS 25 2HZ LYS 25 -16.481 12.597 11.222 231 H GLU 26 H GLU 26 -11.268 13.274 5.256 232 HA GLU 26 HA GLU 26 -12.337 10.703 4.224 233 HB2 GLU 26 1HB GLU 26 -10.026 12.515 3.396 234 HB3 GLU 26 2HB GLU 26 -10.100 10.918 2.720 235 HG2 GLU 26 1HG GLU 26 -12.352 13.000 2.455 236 HG3 GLU 26 2HG GLU 26 -11.133 12.637 1.258 237 H LEU 27 H LEU 27 -9.565 11.321 6.282 238 HA LEU 27 HA LEU 27 -8.594 8.561 6.407 239 HG LEU 27 HG LEU 27 -6.869 8.167 8.166 240 HB2 LEU 27 1HB LEU 27 -7.469 10.581 7.389 241 HB3 LEU 27 2HB LEU 27 -8.620 10.628 8.707 242 HD11 LEU 27 1HD1 LEU 27 -6.047 10.565 9.961 243 HD12 LEU 27 2HD1 LEU 27 -5.120 9.071 9.706 244 HD13 LEU 27 3HD1 LEU 27 -5.343 10.204 8.373 245 HD21 LEU 27 3HD2 LEU 27 -8.141 9.169 10.803 246 HD22 LEU 27 1HD2 LEU 27 -8.620 7.728 9.874 247 HD23 LEU 27 2HD2 LEU 27 -7.042 7.780 10.661 248 H GLU 28 H GLU 28 -11.050 10.080 8.439 249 HA GLU 28 HA GLU 28 -12.178 7.701 9.763 250 HB2 GLU 28 1HB GLU 28 -12.443 10.031 10.537 251 HB3 GLU 28 2HB GLU 28 -13.371 10.453 9.100 252 HG2 GLU 28 1HG GLU 28 -15.198 8.766 9.934 253 HG3 GLU 28 2HG GLU 28 -14.259 8.603 11.419 254 H ARG 29 H ARG 29 -13.419 9.328 6.763 255 HA ARG 29 HA ARG 29 -15.506 7.348 6.177 256 HE ARG 29 HE ARG 29 -14.385 10.937 2.497 257 HB2 ARG 29 1HB ARG 29 -13.898 9.195 4.327 258 HB3 ARG 29 2HB ARG 29 -15.205 8.228 3.736 259 HG2 ARG 29 1HG ARG 29 -16.903 9.445 4.804 260 HG3 ARG 29 2HG ARG 29 -15.866 10.039 6.093 261 HD2 ARG 29 1HD ARG 29 -16.518 11.903 4.488 262 HD3 ARG 29 2HD ARG 29 -14.829 11.693 4.754 263 HH11 ARG 29 2HH1 ARG 29 -17.722 10.563 2.977 264 HH12 ARG 29 1HH1 ARG 29 -18.027 10.399 1.171 265 HH21 ARG 29 2HH2 ARG 29 -14.685 10.944 0.478 266 HH22 ARG 29 1HH2 ARG 29 -16.381 10.685 -0.177 267 H ALA 30 H ALA 30 -12.113 7.394 4.888 268 HA ALA 30 HA ALA 30 -12.246 4.728 3.653 269 HB1 ALA 30 3HB ALA 30 -9.800 6.274 4.751 270 HB2 ALA 30 1HB ALA 30 -9.753 4.876 3.650 271 HB3 ALA 30 2HB ALA 30 -10.468 6.407 3.107 272 H LEU 31 H LEU 31 -11.155 5.648 6.994 273 HA LEU 31 HA LEU 31 -10.544 2.991 7.941 274 HG LEU 31 HG LEU 31 -11.459 3.234 10.918 275 HB2 LEU 31 1HB LEU 31 -9.984 5.182 9.056 276 HB3 LEU 31 2HB LEU 31 -11.667 5.388 9.493 277 HD11 LEU 31 1HD1 LEU 31 -9.093 2.542 11.538 278 HD12 LEU 31 2HD1 LEU 31 -9.446 2.210 9.834 279 HD13 LEU 31 3HD1 LEU 31 -8.444 3.614 10.273 280 HD21 LEU 31 3HD2 LEU 31 -10.262 4.396 12.783 281 HD22 LEU 31 1HD2 LEU 31 -9.609 5.606 11.652 282 HD23 LEU 31 2HD2 LEU 31 -11.361 5.508 11.951 283 H GLN 32 H GLN 32 -13.800 4.527 7.957 284 HA GLN 32 HA GLN 32 -15.248 2.265 9.134 285 HB2 GLN 32 1HB GLN 32 -16.066 4.656 8.871 286 HB3 GLN 32 2HB GLN 32 -16.199 4.413 7.133 287 HG2 GLN 32 1HG GLN 32 -17.903 2.536 7.586 288 HG3 GLN 32 2HG GLN 32 -17.767 2.856 9.303 289 HE21 GLN 32 1HE2 GLN 32 -18.949 4.177 6.259 290 HE22 GLN 32 2HE2 GLN 32 -20.071 5.379 7.101 291 H GLU 33 H GLU 33 -14.666 2.949 5.629 292 HA GLU 33 HA GLU 33 -15.875 0.364 4.756 293 HB2 GLU 33 1HB GLU 33 -15.784 2.445 3.333 294 HB3 GLU 33 2HB GLU 33 -14.048 2.245 3.173 295 HG2 GLU 33 1HG GLU 33 -15.190 1.394 1.157 296 HG3 GLU 33 2HG GLU 33 -14.408 0.044 1.956 297 H LEU 34 H LEU 34 -12.488 1.314 5.454 298 HA LEU 34 HA LEU 34 -11.256 -1.275 4.800 299 HG LEU 34 HG LEU 34 -10.272 1.516 4.321 300 HB2 LEU 34 1HB LEU 34 -10.468 0.875 6.837 301 HB3 LEU 34 2HB LEU 34 -9.454 -0.506 6.502 302 HD11 LEU 34 1HD1 LEU 34 -7.707 1.423 6.037 303 HD12 LEU 34 2HD1 LEU 34 -7.962 2.470 4.615 304 HD13 LEU 34 3HD1 LEU 34 -8.960 2.687 6.061 305 HD21 LEU 34 3HD2 LEU 34 -8.368 0.563 3.031 306 HD22 LEU 34 1HD2 LEU 34 -8.072 -0.652 4.301 307 HD23 LEU 34 2HD2 LEU 34 -9.586 -0.675 3.361 308 H GLU 35 H GLU 35 -12.672 -0.227 7.929 309 HA GLU 35 HA GLU 35 -12.348 -2.665 9.472 310 HB2 GLU 35 1HB GLU 35 -13.242 -0.317 10.139 311 HB3 GLU 35 2HB GLU 35 -14.755 -0.694 9.384 312 HG2 GLU 35 1HG GLU 35 -13.586 -2.329 11.739 313 HG3 GLU 35 2HG GLU 35 -14.559 -0.898 11.943 314 H LYS 36 H LYS 36 -15.174 -1.803 7.537 315 HA LYS 36 HA LYS 36 -16.505 -4.366 7.268 316 HB2 LYS 36 1HB LYS 36 -17.443 -2.133 6.750 317 HB3 LYS 36 2HB LYS 36 -16.267 -1.892 5.469 318 HG2 LYS 36 1HG LYS 36 -17.339 -3.761 4.139 319 HG3 LYS 36 2HG LYS 36 -18.585 -3.935 5.383 320 HD2 LYS 36 1HD LYS 36 -19.411 -1.639 5.018 321 HD3 LYS 36 2HD LYS 36 -17.946 -1.176 4.166 322 HE2 LYS 36 1HE LYS 36 -18.567 -2.868 2.294 323 HE3 LYS 36 2HE LYS 36 -20.174 -3.011 3.050 324 HZ1 LYS 36 3HZ LYS 36 -18.803 -0.424 2.196 325 HZ2 LYS 36 1HZ LYS 36 -20.030 -1.117 1.335 326 HZ3 LYS 36 2HZ LYS 36 -20.314 -0.467 2.840 327 H ALA 37 H ALA 37 -13.995 -3.048 4.957 328 HA ALA 37 HA ALA 37 -13.888 -5.431 3.291 329 HB1 ALA 37 3HB ALA 37 -13.003 -3.187 2.614 330 HB2 ALA 37 1HB ALA 37 -11.671 -3.347 3.787 331 HB3 ALA 37 2HB ALA 37 -11.780 -4.459 2.404 332 H LEU 38 H LEU 38 -11.727 -4.693 6.097 333 HA LEU 38 HA LEU 38 -10.245 -7.254 6.050 334 HG LEU 38 HG LEU 38 -8.185 -6.381 7.143 335 HB2 LEU 38 1HB LEU 38 -10.815 -5.220 8.283 336 HB3 LEU 38 2HB LEU 38 -10.129 -6.783 8.654 337 HD11 LEU 38 1HD1 LEU 38 -9.131 -3.435 7.110 338 HD12 LEU 38 2HD1 LEU 38 -7.586 -4.058 6.493 339 HD13 LEU 38 3HD1 LEU 38 -9.099 -4.508 5.689 340 HD21 LEU 38 3HD2 LEU 38 -8.642 -4.431 9.504 341 HD22 LEU 38 1HD2 LEU 38 -8.040 -6.103 9.616 342 HD23 LEU 38 2HD2 LEU 38 -7.056 -4.860 8.827 343 H ALA 39 H ALA 39 -13.315 -6.444 7.755 344 HA ALA 39 HA ALA 39 -13.769 -9.175 8.798 345 HB1 ALA 39 3HB ALA 39 -16.057 -8.308 9.294 346 HB2 ALA 39 1HB ALA 39 -14.831 -7.115 9.764 347 HB3 ALA 39 2HB ALA 39 -15.772 -6.876 8.276 348 H ARG 40 H ARG 40 -15.122 -7.583 5.858 349 HA ARG 40 HA ARG 40 -16.567 -9.905 4.842 350 HE ARG 40 HE ARG 40 -18.414 -8.803 0.225 351 HB2 ARG 40 1HB ARG 40 -16.875 -7.477 4.204 352 HB3 ARG 40 2HB ARG 40 -15.338 -7.507 3.355 353 HG2 ARG 40 1HG ARG 40 -16.337 -9.314 1.787 354 HG3 ARG 40 2HG ARG 40 -17.874 -9.129 2.637 355 HD2 ARG 40 1HD ARG 40 -17.890 -6.640 2.007 356 HD3 ARG 40 2HD ARG 40 -16.337 -6.872 1.171 357 HH11 ARG 40 2HH1 ARG 40 -17.252 -5.560 -0.250 358 HH12 ARG 40 1HH1 ARG 40 -17.933 -5.478 -1.945 359 HH21 ARG 40 2HH2 ARG 40 -19.184 -8.681 -1.690 360 HH22 ARG 40 1HH2 ARG 40 -18.986 -7.181 -2.703 361 H ALA 41 H ALA 41 -13.231 -8.909 4.006 362 HA ALA 41 HA ALA 41 -12.721 -11.282 2.251 363 HB1 ALA 41 3HB ALA 41 -11.491 -9.117 1.974 364 HB2 ALA 41 1HB ALA 41 -10.766 -9.292 3.591 365 HB3 ALA 41 2HB ALA 41 -10.355 -10.440 2.296 366 H GLY 42 H GLY 42 -12.401 -10.841 5.731 367 HA2 GLY 42 1HA GLY 42 -11.825 -12.480 7.439 368 HA3 GLY 42 2HA GLY 42 -11.671 -13.712 6.203 369 H ALA 43 H ALA 43 -10.027 -10.717 7.170 370 HA ALA 43 HA ALA 43 -7.404 -11.664 6.140 371 HB1 ALA 43 3HB ALA 43 -8.167 -9.040 7.557 372 HB2 ALA 43 1HB ALA 43 -6.716 -9.362 6.585 373 HB3 ALA 43 2HB ALA 43 -8.298 -9.361 5.801 374 H ARG 44 H ARG 44 -6.764 -13.360 7.401 375 HA ARG 44 HA ARG 44 -6.678 -13.357 10.311 376 HE ARG 44 HE ARG 44 -8.449 -15.269 6.855 377 HB2 ARG 44 1HB ARG 44 -5.366 -15.183 8.220 378 HB3 ARG 44 2HB ARG 44 -5.234 -15.497 9.925 379 HG2 ARG 44 1HG ARG 44 -7.351 -16.277 10.190 380 HG3 ARG 44 2HG ARG 44 -8.118 -15.062 9.215 381 HD2 ARG 44 1HD ARG 44 -6.502 -17.380 7.962 382 HD3 ARG 44 2HD ARG 44 -8.203 -17.560 8.401 383 HH11 ARG 44 2HH1 ARG 44 -6.643 -18.194 6.082 384 HH12 ARG 44 1HH1 ARG 44 -6.806 -17.769 4.280 385 HH21 ARG 44 2HH2 ARG 44 -8.693 -15.040 4.844 386 HH22 ARG 44 1HH2 ARG 44 -7.929 -16.259 3.676 387 H ASN 45 H ASN 45 -4.054 -12.409 8.136 388 HA ASN 45 HA ASN 45 -2.403 -11.642 10.605 389 HB2 ASN 45 1HB ASN 45 -1.276 -13.009 8.101 390 HB3 ASN 45 2HB ASN 45 -0.290 -12.147 9.266 391 HD21 ASN 45 1HD2 ASN 45 0.334 -14.656 8.760 392 HD22 ASN 45 2HD2 ASN 45 -0.087 -15.684 10.240 393 H VAL 46 H VAL 46 -2.523 -9.465 10.579 394 HA VAL 46 HA VAL 46 -2.228 -7.999 7.882 395 HB VAL 46 HB VAL 46 -4.089 -6.958 10.072 396 HG11 VAL 46 1HG1 VAL 46 -3.167 -5.258 8.380 397 HG12 VAL 46 2HG1 VAL 46 -3.879 -6.202 7.066 398 HG13 VAL 46 3HG1 VAL 46 -4.922 -5.434 8.286 399 HG21 VAL 46 3HG2 VAL 46 -5.181 -9.022 9.265 400 HG22 VAL 46 1HG2 VAL 46 -6.035 -7.634 8.579 401 HG23 VAL 46 2HG2 VAL 46 -4.892 -8.571 7.573 402 H GLN 47 H GLN 47 -0.684 -6.587 7.796 403 HA GLN 47 HA GLN 47 0.495 -5.291 10.334 404 HB2 GLN 47 1HB GLN 47 1.735 -5.585 7.539 405 HB3 GLN 47 2HB GLN 47 2.398 -4.589 8.814 406 HG2 GLN 47 1HG GLN 47 2.764 -6.600 10.271 407 HG3 GLN 47 2HG GLN 47 2.047 -7.646 9.048 408 HE21 GLN 47 1HE2 GLN 47 4.664 -8.031 10.048 409 HE22 GLN 47 2HE2 GLN 47 5.707 -7.855 8.536 410 H ILE 48 H ILE 48 -0.846 -3.584 10.646 411 HA ILE 48 HA ILE 48 -1.491 -1.685 8.312 412 HB ILE 48 HB ILE 48 -2.608 -1.692 11.158 413 HG12 ILE 48 1HG1 ILE 48 -3.920 -2.144 8.395 414 HG13 ILE 48 2HG1 ILE 48 -3.576 -3.391 9.582 415 HG21 ILE 48 1HG2 ILE 48 -4.002 0.295 10.469 416 HG22 ILE 48 2HG2 ILE 48 -2.293 0.696 10.412 417 HG23 ILE 48 3HG2 ILE 48 -3.162 0.364 8.897 418 HD11 ILE 48 3HD1 ILE 48 -5.210 -2.248 11.207 419 HD12 ILE 48 1HD1 ILE 48 -5.689 -1.171 9.875 420 HD13 ILE 48 2HD1 ILE 48 -5.944 -2.919 9.730 421 H THR 49 H THR 49 -0.022 -0.209 7.908 422 HA THR 49 HA THR 49 1.855 0.785 10.124 423 HB THR 49 HB THR 49 2.560 0.553 7.162 424 HG1 THR 49 HG1 THR 49 2.385 -1.380 8.404 425 HG21 THR 49 3HG2 THR 49 4.301 1.339 9.611 426 HG22 THR 49 1HG2 THR 49 4.901 1.036 7.964 427 HG23 THR 49 2HG2 THR 49 3.835 2.423 8.276 428 H ILE 50 H ILE 50 1.137 2.679 10.757 429 HA ILE 50 HA ILE 50 -0.068 4.630 8.704 430 HB ILE 50 HB ILE 50 -0.361 4.808 11.717 431 HG12 ILE 50 1HG1 ILE 50 -1.664 2.896 11.028 432 HG13 ILE 50 2HG1 ILE 50 -2.752 4.220 11.412 433 HG21 ILE 50 1HG2 ILE 50 -1.706 6.468 9.478 434 HG22 ILE 50 2HG2 ILE 50 -2.088 6.562 11.212 435 HG23 ILE 50 3HG2 ILE 50 -0.488 7.055 10.631 436 HD11 ILE 50 3HD1 ILE 50 -2.045 3.260 8.563 437 HD12 ILE 50 1HD1 ILE 50 -3.562 2.963 9.438 438 HD13 ILE 50 2HD1 ILE 50 -3.142 4.620 8.953 439 H SER 51 H SER 51 1.466 5.705 7.847 440 HA SER 51 HA SER 51 4.045 6.606 9.114 441 HG SER 51 HG SER 51 3.875 8.115 5.602 442 HB2 SER 51 1HB SER 51 3.993 5.857 6.793 443 HB3 SER 51 2HB SER 51 2.574 6.838 6.449 444 H ALA 52 H ALA 52 3.059 7.803 10.902 445 HA ALA 52 HA ALA 52 1.307 10.111 10.352 446 HB1 ALA 52 3HB ALA 52 2.484 9.114 13.035 447 HB2 ALA 52 1HB ALA 52 1.074 10.162 12.829 448 HB3 ALA 52 2HB ALA 52 1.009 8.480 12.266 449 H GLU 53 H GLU 53 1.462 12.197 10.960 450 HA GLU 53 HA GLU 53 3.984 13.500 10.397 451 HB2 GLU 53 1HB GLU 53 2.719 15.547 10.324 452 HB3 GLU 53 2HB GLU 53 1.828 14.268 9.548 453 HG2 GLU 53 1HG GLU 53 0.440 14.064 11.794 454 HG3 GLU 53 2HG GLU 53 1.234 15.545 12.301 455 H ASN 54 H ASN 54 2.470 13.089 13.532 456 HA ASN 54 HA ASN 54 4.920 14.088 14.870 457 HB2 ASN 54 1HB ASN 54 3.973 15.876 16.249 458 HB3 ASN 54 2HB ASN 54 3.875 16.256 14.565 459 HD21 ASN 54 1HD2 ASN 54 1.978 17.329 14.162 460 HD22 ASN 54 2HD2 ASN 54 0.411 17.035 15.083 461 H ASP 55 H ASP 55 4.832 13.970 17.204 462 HA ASP 55 HA ASP 55 4.214 11.294 18.001 463 HB2 ASP 55 1HB ASP 55 4.888 13.642 19.874 464 HB3 ASP 55 2HB ASP 55 5.013 11.934 20.260 465 H GLU 56 H GLU 56 2.340 14.219 19.022 466 HA GLU 56 HA GLU 56 0.321 12.685 20.568 467 HB2 GLU 56 1HB GLU 56 0.193 15.509 19.352 468 HB3 GLU 56 2HB GLU 56 -1.116 14.787 20.270 469 HG2 GLU 56 1HG GLU 56 0.444 14.499 22.285 470 HG3 GLU 56 2HG GLU 56 1.704 15.349 21.395 471 H GLN 57 H GLN 57 0.288 13.791 17.142 472 HA GLN 57 HA GLN 57 -2.174 12.391 16.335 473 HB2 GLN 57 1HB GLN 57 0.373 13.094 14.752 474 HB3 GLN 57 2HB GLN 57 -0.946 12.239 14.008 475 HG2 GLN 57 1HG GLN 57 -1.419 14.963 15.370 476 HG3 GLN 57 2HG GLN 57 -0.849 14.832 13.726 477 HE21 GLN 57 1HE2 GLN 57 -2.440 14.797 12.163 478 HE22 GLN 57 2HE2 GLN 57 -4.185 14.336 12.564 479 H ALA 58 H ALA 58 1.210 11.101 16.216 480 HA ALA 58 HA ALA 58 0.548 8.339 15.612 481 HB1 ALA 58 3HB ALA 58 2.816 7.841 16.485 482 HB2 ALA 58 1HB ALA 58 2.854 9.331 15.525 483 HB3 ALA 58 2HB ALA 58 2.891 9.420 17.302 484 H LYS 59 H LYS 59 0.487 9.868 18.869 485 HA LYS 59 HA LYS 59 -0.108 7.431 20.404 486 HB2 LYS 59 1HB LYS 59 0.598 9.684 21.338 487 HB3 LYS 59 2HB LYS 59 -0.973 10.340 20.979 488 HG2 LYS 59 1HG LYS 59 -0.337 8.082 23.003 489 HG3 LYS 59 2HG LYS 59 -0.632 9.768 23.380 490 HD2 LYS 59 1HD LYS 59 -3.022 9.448 22.296 491 HD3 LYS 59 2HD LYS 59 -2.674 7.719 22.335 492 HE2 LYS 59 1HE LYS 59 -2.341 7.826 24.843 493 HE3 LYS 59 2HE LYS 59 -2.761 9.557 24.814 494 HZ1 LYS 59 3HZ LYS 59 -4.913 8.434 25.129 495 HZ2 LYS 59 1HZ LYS 59 -4.935 8.549 23.462 496 HZ3 LYS 59 2HZ LYS 59 -4.478 7.168 24.162 497 H GLU 60 H GLU 60 -2.557 9.871 19.265 498 HA GLU 60 HA GLU 60 -4.745 7.905 19.708 499 HB2 GLU 60 1HB GLU 60 -4.754 10.702 18.463 500 HB3 GLU 60 2HB GLU 60 -6.178 9.687 18.428 501 HG2 GLU 60 1HG GLU 60 -4.742 10.588 21.002 502 HG3 GLU 60 2HG GLU 60 -6.249 11.215 20.371 503 H LEU 61 H LEU 61 -2.957 8.604 16.713 504 HA LEU 61 HA LEU 61 -4.621 6.749 15.096 505 HG LEU 61 HG LEU 61 -3.614 9.360 14.351 506 HB2 LEU 61 1HB LEU 61 -1.708 7.593 14.786 507 HB3 LEU 61 2HB LEU 61 -2.526 6.566 13.629 508 HD11 LEU 61 1HD1 LEU 61 -1.276 9.599 13.513 509 HD12 LEU 61 2HD1 LEU 61 -1.686 8.696 12.039 510 HD13 LEU 61 3HD1 LEU 61 -2.455 10.266 12.370 511 HD21 LEU 61 3HD2 LEU 61 -4.112 7.597 11.851 512 HD22 LEU 61 1HD2 LEU 61 -5.281 7.903 13.158 513 HD23 LEU 61 2HD2 LEU 61 -4.745 9.237 12.129 514 H LEU 62 H LEU 62 -1.739 6.085 17.159 515 HA LEU 62 HA LEU 62 -1.679 3.160 16.938 516 HG LEU 62 HG LEU 62 -1.303 3.246 20.488 517 HB2 LEU 62 1HB LEU 62 0.137 4.302 17.974 518 HB3 LEU 62 2HB LEU 62 -0.884 5.184 19.069 519 HD11 LEU 62 1HD1 LEU 62 0.023 1.115 20.187 520 HD12 LEU 62 2HD1 LEU 62 -1.190 1.346 18.929 521 HD13 LEU 62 3HD1 LEU 62 0.532 1.673 18.568 522 HD21 LEU 62 3HD2 LEU 62 1.667 3.833 19.853 523 HD22 LEU 62 1HD2 LEU 62 0.617 4.684 21.012 524 HD23 LEU 62 2HD2 LEU 62 1.102 3.006 21.325 525 H GLU 63 H GLU 63 -3.534 5.076 19.349 526 HA GLU 63 HA GLU 63 -5.046 2.656 20.173 527 HB2 GLU 63 1HB GLU 63 -5.363 5.591 20.893 528 HB3 GLU 63 2HB GLU 63 -6.472 4.333 21.440 529 HG2 GLU 63 1HG GLU 63 -4.840 3.178 22.775 530 HG3 GLU 63 2HG GLU 63 -3.485 3.998 22.010 531 H LEU 64 H LEU 64 -5.999 5.292 17.821 532 HA LEU 64 HA LEU 64 -8.598 4.126 17.130 533 HG LEU 64 HG LEU 64 -7.999 6.947 17.107 534 HB2 LEU 64 1HB LEU 64 -6.563 5.594 15.393 535 HB3 LEU 64 2HB LEU 64 -8.069 5.030 14.728 536 HD11 LEU 64 1HD1 LEU 64 -6.894 7.988 15.120 537 HD12 LEU 64 2HD1 LEU 64 -8.286 7.573 14.087 538 HD13 LEU 64 3HD1 LEU 64 -8.465 8.752 15.412 539 HD21 LEU 64 3HD2 LEU 64 -10.207 5.702 16.821 540 HD22 LEU 64 1HD2 LEU 64 -10.379 7.427 16.455 541 HD23 LEU 64 2HD2 LEU 64 -10.291 6.243 15.132 542 H ILE 65 H ILE 65 -5.400 3.108 15.849 543 HA ILE 65 HA ILE 65 -6.506 0.886 14.240 544 HB ILE 65 HB ILE 65 -3.739 0.998 15.475 545 HG12 ILE 65 1HG1 ILE 65 -4.137 1.826 12.539 546 HG13 ILE 65 2HG1 ILE 65 -4.425 3.008 13.771 547 HG21 ILE 65 1HG2 ILE 65 -4.835 -0.622 13.062 548 HG22 ILE 65 2HG2 ILE 65 -3.102 -0.511 13.449 549 HG23 ILE 65 3HG2 ILE 65 -4.212 -1.248 14.604 550 HD11 ILE 65 3HD1 ILE 65 -2.100 2.491 14.804 551 HD12 ILE 65 1HD1 ILE 65 -1.751 1.526 13.343 552 HD13 ILE 65 2HD1 ILE 65 -2.066 3.276 13.252 553 H ALA 66 H ALA 66 -5.202 0.885 17.639 554 HA ALA 66 HA ALA 66 -5.921 -1.883 18.260 555 HB1 ALA 66 3HB ALA 66 -5.684 -1.195 20.621 556 HB2 ALA 66 1HB ALA 66 -4.396 -0.437 19.659 557 HB3 ALA 66 2HB ALA 66 -5.802 0.522 20.188 558 H ARG 67 H ARG 67 -7.934 1.081 18.867 559 HA ARG 67 HA ARG 67 -10.418 -0.247 19.618 560 HE ARG 67 HE ARG 67 -9.023 4.225 21.933 561 HB2 ARG 67 1HB ARG 67 -10.062 2.334 17.980 562 HB3 ARG 67 2HB ARG 67 -11.573 1.841 18.711 563 HG2 ARG 67 1HG ARG 67 -10.810 2.239 20.981 564 HG3 ARG 67 2HG ARG 67 -9.127 2.204 20.513 565 HD2 ARG 67 1HD ARG 67 -9.654 4.336 19.028 566 HD3 ARG 67 2HD ARG 67 -11.133 4.488 19.974 567 HH11 ARG 67 2HH1 ARG 67 -9.687 6.582 19.358 568 HH12 ARG 67 1HH1 ARG 67 -8.528 7.751 20.235 569 HH21 ARG 67 2HH2 ARG 67 -7.632 5.700 22.678 570 HH22 ARG 67 1HH2 ARG 67 -7.618 7.328 21.853 571 H LEU 68 H LEU 68 -9.307 0.465 16.283 572 HA LEU 68 HA LEU 68 -11.491 -0.839 14.798 573 HG LEU 68 HG LEU 68 -9.881 -2.077 12.550 574 HB2 LEU 68 1HB LEU 68 -9.758 0.731 13.818 575 HB3 LEU 68 2HB LEU 68 -8.514 -0.430 14.158 576 HD11 LEU 68 1HD1 LEU 68 -11.899 -0.546 12.347 577 HD12 LEU 68 2HD1 LEU 68 -10.884 0.671 11.540 578 HD13 LEU 68 3HD1 LEU 68 -11.141 -0.915 10.783 579 HD21 LEU 68 3HD2 LEU 68 -7.593 -1.174 12.070 580 HD22 LEU 68 1HD2 LEU 68 -8.599 -1.267 10.612 581 HD23 LEU 68 2HD2 LEU 68 -8.307 0.307 11.390 582 H LEU 69 H LEU 69 -8.281 -2.239 15.638 583 HA LEU 69 HA LEU 69 -9.053 -4.929 14.636 584 HG LEU 69 HG LEU 69 -6.816 -2.771 14.008 585 HB2 LEU 69 1HB LEU 69 -6.568 -4.088 16.183 586 HB3 LEU 69 2HB LEU 69 -6.771 -5.583 15.293 587 HD11 LEU 69 1HD1 LEU 69 -4.572 -3.169 13.202 588 HD12 LEU 69 2HD1 LEU 69 -4.566 -3.438 14.961 589 HD13 LEU 69 3HD1 LEU 69 -4.543 -4.806 13.832 590 HD21 LEU 69 3HD2 LEU 69 -8.113 -4.327 12.592 591 HD22 LEU 69 1HD2 LEU 69 -6.578 -3.946 11.814 592 HD23 LEU 69 2HD2 LEU 69 -6.786 -5.516 12.605 593 H GLN 70 H GLN 70 -9.004 -3.612 17.961 594 HA GLN 70 HA GLN 70 -9.864 -6.150 19.271 595 HB2 GLN 70 1HB GLN 70 -10.224 -3.210 20.112 596 HB3 GLN 70 2HB GLN 70 -10.701 -4.580 21.098 597 HG2 GLN 70 1HG GLN 70 -8.317 -5.385 21.261 598 HG3 GLN 70 2HG GLN 70 -7.787 -4.100 20.198 599 HE21 GLN 70 1HE2 GLN 70 -8.885 -4.766 23.448 600 HE22 GLN 70 2HE2 GLN 70 -8.345 -3.113 24.063 601 H LYS 71 H LYS 71 -11.729 -3.559 17.602 602 HA LYS 71 HA LYS 71 -14.399 -4.713 18.183 603 HB2 LYS 71 1HB LYS 71 -14.089 -2.406 17.405 604 HB3 LYS 71 2HB LYS 71 -13.456 -2.917 15.863 605 HG2 LYS 71 1HG LYS 71 -16.299 -3.728 16.771 606 HG3 LYS 71 2HG LYS 71 -15.983 -2.129 16.117 607 HD2 LYS 71 1HD LYS 71 -15.189 -3.057 13.941 608 HD3 LYS 71 2HD LYS 71 -15.245 -4.675 14.544 609 HE2 LYS 71 1HE LYS 71 -17.151 -4.656 13.279 610 HE3 LYS 71 2HE LYS 71 -17.817 -4.436 14.900 611 HZ1 LYS 71 3HZ LYS 71 -18.824 -2.753 13.410 612 HZ2 LYS 71 1HZ LYS 71 -17.701 -1.871 14.261 613 HZ3 LYS 71 2HZ LYS 71 -17.378 -2.377 12.717 614 H LEU 72 H LEU 72 -12.183 -5.304 15.404 615 HA LEU 72 HA LEU 72 -13.869 -7.468 14.266 616 HG LEU 72 HG LEU 72 -13.496 -6.698 12.066 617 HB2 LEU 72 1HB LEU 72 -10.930 -6.673 13.805 618 HB3 LEU 72 2HB LEU 72 -11.588 -8.143 13.142 619 HD11 LEU 72 1HD1 LEU 72 -11.402 -4.457 12.534 620 HD12 LEU 72 2HD1 LEU 72 -12.819 -4.375 11.454 621 HD13 LEU 72 3HD1 LEU 72 -13.053 -4.499 13.203 622 HD21 LEU 72 3HD2 LEU 72 -12.073 -6.255 10.083 623 HD22 LEU 72 1HD2 LEU 72 -10.591 -6.470 11.045 624 HD23 LEU 72 2HD2 LEU 72 -11.692 -7.846 10.768 625 H GLY 73 H GLY 73 -11.114 -7.676 16.537 626 HA2 GLY 73 1HA GLY 73 -11.254 -9.447 18.333 627 HA3 GLY 73 2HA GLY 73 -12.020 -10.550 17.218 628 H TYR 74 H TYR 74 -8.983 -8.736 17.553 629 HA TYR 74 HA TYR 74 -7.416 -11.146 16.457 630 HD1 TYR 74 HD2 TYR 74 -5.614 -10.676 14.053 631 HD2 TYR 74 HD1 TYR 74 -8.527 -7.608 14.809 632 HE1 TYR 74 HE2 TYR 74 -6.105 -10.538 11.655 633 HE2 TYR 74 HE1 TYR 74 -9.024 -7.498 12.407 634 HH TYR 74 HH TYR 74 -7.538 -9.710 10.090 635 HB2 TYR 74 1HB TYR 74 -6.757 -8.139 16.533 636 HB3 TYR 74 2HB TYR 74 -5.576 -9.360 16.190 637 H LYS 75 H LYS 75 -6.388 -12.326 17.913 638 HA LYS 75 HA LYS 75 -5.837 -11.456 20.672 639 HB2 LYS 75 1HB LYS 75 -4.879 -13.626 21.074 640 HB3 LYS 75 2HB LYS 75 -6.408 -13.762 20.256 641 HG2 LYS 75 1HG LYS 75 -5.416 -14.456 18.162 642 HG3 LYS 75 2HG LYS 75 -3.813 -13.950 18.591 643 HD2 LYS 75 1HD LYS 75 -5.286 -16.219 20.063 644 HD3 LYS 75 2HD LYS 75 -4.311 -16.502 18.646 645 HE2 LYS 75 1HE LYS 75 -3.212 -15.279 21.286 646 HE3 LYS 75 2HE LYS 75 -3.156 -16.987 20.881 647 HZ1 LYS 75 3HZ LYS 75 -1.028 -15.923 20.208 648 HZ2 LYS 75 1HZ LYS 75 -1.806 -16.367 18.828 649 HZ3 LYS 75 2HZ LYS 75 -1.795 -14.804 19.299 650 H ASP 76 H ASP 76 -3.528 -11.751 17.950 651 HA ASP 76 HA ASP 76 -1.209 -11.337 19.907 652 HB2 ASP 76 1HB ASP 76 -1.502 -13.370 18.291 653 HB3 ASP 76 2HB ASP 76 -1.228 -12.256 16.982 654 H ILE 77 H ILE 77 -1.748 -9.051 20.082 655 HA ILE 77 HA ILE 77 -1.503 -7.338 17.618 656 HB ILE 77 HB ILE 77 -2.201 -6.474 20.473 657 HG12 ILE 77 1HG1 ILE 77 -4.295 -6.879 18.238 658 HG13 ILE 77 2HG1 ILE 77 -3.878 -8.185 19.313 659 HG21 ILE 77 1HG2 ILE 77 -1.472 -4.535 19.046 660 HG22 ILE 77 2HG2 ILE 77 -2.647 -4.986 17.787 661 HG23 ILE 77 3HG2 ILE 77 -3.202 -4.415 19.374 662 HD11 ILE 77 3HD1 ILE 77 -5.039 -5.498 20.273 663 HD12 ILE 77 1HD1 ILE 77 -5.891 -7.053 20.127 664 HD13 ILE 77 2HD1 ILE 77 -4.586 -6.874 21.319 665 H ASN 78 H ASN 78 0.605 -7.273 17.027 666 HA ASN 78 HA ASN 78 2.764 -6.630 19.097 667 HB2 ASN 78 1HB ASN 78 2.802 -8.018 16.359 668 HB3 ASN 78 2HB ASN 78 4.260 -7.509 17.164 669 HD21 ASN 78 1HD2 ASN 78 1.437 -9.014 18.695 670 HD22 ASN 78 2HD2 ASN 78 2.251 -10.614 19.005 671 H VAL 79 H VAL 79 2.841 -4.462 19.280 672 HA VAL 79 HA VAL 79 2.957 -2.646 16.950 673 HB VAL 79 HB VAL 79 1.683 -2.131 18.971 674 HG11 VAL 79 1HG1 VAL 79 4.332 -1.627 20.486 675 HG12 VAL 79 2HG1 VAL 79 2.690 -1.262 21.070 676 HG13 VAL 79 3HG1 VAL 79 3.191 -2.944 20.827 677 HG21 VAL 79 3HG2 VAL 79 3.850 -0.010 18.440 678 HG22 VAL 79 1HG2 VAL 79 2.385 -0.267 17.464 679 HG23 VAL 79 2HG2 VAL 79 2.247 0.264 19.154 680 H ARG 80 H ARG 80 4.636 -1.768 15.965 681 HA ARG 80 HA ARG 80 7.066 -1.063 17.634 682 HE ARG 80 HE ARG 80 11.698 -0.823 14.231 683 HB2 ARG 80 1HB ARG 80 7.803 -3.020 16.260 684 HB3 ARG 80 2HB ARG 80 7.412 -2.152 14.781 685 HG2 ARG 80 1HG ARG 80 9.110 -0.359 15.369 686 HG3 ARG 80 2HG ARG 80 9.487 -1.190 16.874 687 HD2 ARG 80 1HD ARG 80 10.334 -3.211 15.550 688 HD3 ARG 80 2HD ARG 80 9.873 -2.421 14.061 689 HH11 ARG 80 2HH1 ARG 80 11.618 -2.787 17.101 690 HH12 ARG 80 1HH1 ARG 80 13.290 -2.240 17.605 691 HH21 ARG 80 2HH2 ARG 80 13.575 -0.212 14.840 692 HH22 ARG 80 1HH2 ARG 80 14.321 -0.845 16.374 693 H VAL 81 H VAL 81 7.236 1.056 17.652 694 HA VAL 81 HA VAL 81 6.034 2.772 15.422 695 HB VAL 81 HB VAL 81 6.877 3.655 18.230 696 HG11 VAL 81 1HG1 VAL 81 7.018 5.538 16.606 697 HG12 VAL 81 2HG1 VAL 81 5.373 5.231 16.020 698 HG13 VAL 81 3HG1 VAL 81 5.653 5.799 17.685 699 HG21 VAL 81 3HG2 VAL 81 4.408 3.962 18.699 700 HG22 VAL 81 1HG2 VAL 81 4.018 3.178 17.149 701 HG23 VAL 81 2HG2 VAL 81 4.822 2.262 18.441 702 H ASN 82 H ASN 82 7.477 3.388 13.920 703 HA ASN 82 HA ASN 82 10.466 3.650 14.590 704 HB2 ASN 82 1HB ASN 82 9.798 2.269 12.618 705 HB3 ASN 82 2HB ASN 82 9.049 3.649 11.857 706 HD21 ASN 82 1HD2 ASN 82 10.425 4.811 10.444 707 HD22 ASN 82 2HD2 ASN 82 12.257 4.627 10.570 708 H GLY 83 H GLY 83 10.012 5.433 15.971 709 HA2 GLY 83 1HA GLY 83 10.261 7.831 16.428 710 HA3 GLY 83 2HA GLY 83 10.230 8.189 14.715 711 H THR 84 H THR 84 8.227 8.327 13.709 712 HA THR 84 HA THR 84 5.707 8.564 15.463 713 HB THR 84 HB THR 84 4.694 10.027 13.803 714 HG1 THR 84 HG1 THR 84 5.549 10.461 11.957 715 HG21 THR 84 3HG2 THR 84 5.953 11.227 15.594 716 HG22 THR 84 1HG2 THR 84 7.427 11.194 14.599 717 HG23 THR 84 2HG2 THR 84 6.011 12.107 14.044 718 H GLU 85 H GLU 85 7.108 6.544 13.080 719 HA GLU 85 HA GLU 85 4.605 6.050 11.514 720 HB2 GLU 85 1HB GLU 85 7.310 4.670 11.248 721 HB3 GLU 85 2HB GLU 85 5.998 4.633 10.093 722 HG2 GLU 85 1HG GLU 85 6.287 7.109 9.659 723 HG3 GLU 85 2HG GLU 85 7.599 7.179 10.832 724 H VAL 86 H VAL 86 3.114 4.802 12.417 725 HA VAL 86 HA VAL 86 3.855 2.805 14.585 726 HB VAL 86 HB VAL 86 1.092 3.874 13.768 727 HG11 VAL 86 1HG1 VAL 86 0.967 1.714 15.053 728 HG12 VAL 86 2HG1 VAL 86 1.946 2.414 16.365 729 HG13 VAL 86 3HG1 VAL 86 0.334 3.064 15.994 730 HG21 VAL 86 3HG2 VAL 86 2.403 5.802 14.616 731 HG22 VAL 86 1HG2 VAL 86 1.197 5.344 15.821 732 HG23 VAL 86 2HG2 VAL 86 2.906 4.902 16.056 733 H LYS 87 H LYS 87 4.498 0.870 13.600 734 HA LYS 87 HA LYS 87 2.509 -0.474 11.724 735 HB2 LYS 87 1HB LYS 87 3.921 -2.130 11.125 736 HB3 LYS 87 2HB LYS 87 4.773 -0.640 10.914 737 HG2 LYS 87 1HG LYS 87 6.443 -1.148 12.440 738 HG3 LYS 87 2HG LYS 87 5.426 -2.029 13.537 739 HD2 LYS 87 1HD LYS 87 6.314 -3.145 10.794 740 HD3 LYS 87 2HD LYS 87 7.189 -3.400 12.296 741 HE2 LYS 87 1HE LYS 87 5.085 -4.518 13.314 742 HE3 LYS 87 2HE LYS 87 4.282 -4.369 11.756 743 HZ1 LYS 87 3HZ LYS 87 6.849 -5.901 12.229 744 HZ2 LYS 87 1HZ LYS 87 5.417 -6.628 11.905 745 HZ3 LYS 87 2HZ LYS 87 6.157 -5.728 10.753 746 H ILE 88 H ILE 88 0.910 -1.514 12.590 747 HA ILE 88 HA ILE 88 1.347 -3.159 15.170 748 HB ILE 88 HB ILE 88 -1.116 -1.705 14.133 749 HG12 ILE 88 1HG1 ILE 88 0.203 -1.620 16.939 750 HG13 ILE 88 2HG1 ILE 88 0.757 -0.592 15.639 751 HG21 ILE 88 1HG2 ILE 88 -2.391 -2.679 16.118 752 HG22 ILE 88 2HG2 ILE 88 -1.997 -3.875 14.883 753 HG23 ILE 88 3HG2 ILE 88 -1.050 -3.818 16.394 754 HD11 ILE 88 3HD1 ILE 88 -1.614 0.319 15.366 755 HD12 ILE 88 1HD1 ILE 88 -2.045 -0.483 16.896 756 HD13 ILE 88 2HD1 ILE 88 -0.778 0.771 16.845 757 H GLU 89 H GLU 89 1.791 -5.108 14.688 758 HA GLU 89 HA GLU 89 0.677 -6.538 12.240 759 HB2 GLU 89 1HB GLU 89 3.107 -6.447 12.679 760 HB3 GLU 89 2HB GLU 89 2.907 -7.229 14.237 761 HG2 GLU 89 1HG GLU 89 2.101 -9.331 13.119 762 HG3 GLU 89 2HG GLU 89 2.153 -8.566 11.537 763 H VAL 90 H VAL 90 -1.269 -7.392 12.613 764 HA VAL 90 HA VAL 90 -1.887 -8.713 15.304 765 HB VAL 90 HB VAL 90 -4.261 -8.574 14.719 766 HG11 VAL 90 1HG1 VAL 90 -2.847 -5.905 15.123 767 HG12 VAL 90 2HG1 VAL 90 -4.540 -6.288 15.559 768 HG13 VAL 90 3HG1 VAL 90 -3.211 -7.116 16.363 769 HG21 VAL 90 3HG2 VAL 90 -4.217 -8.116 12.247 770 HG22 VAL 90 1HG2 VAL 90 -5.194 -6.972 13.166 771 HG23 VAL 90 2HG2 VAL 90 -3.582 -6.484 12.575 772 H ARG 91 H ARG 91 -1.870 -10.760 15.427 773 HA ARG 91 HA ARG 91 -2.304 -12.490 12.920 774 HE ARG 91 HE ARG 91 3.377 -11.627 13.391 775 HB2 ARG 91 1HB ARG 91 -0.696 -13.516 15.290 776 HB3 ARG 91 2HB ARG 91 -0.718 -14.043 13.630 777 HG2 ARG 91 1HG ARG 91 0.442 -11.786 12.996 778 HG3 ARG 91 2HG ARG 91 0.527 -11.446 14.722 779 HD2 ARG 91 1HD ARG 91 1.791 -13.799 14.930 780 HD3 ARG 91 2HD ARG 91 1.945 -13.710 13.191 781 HH11 ARG 91 2HH1 ARG 91 2.420 -12.785 16.647 782 HH12 ARG 91 1HH1 ARG 91 3.792 -11.773 17.301 783 HH21 ARG 91 2HH2 ARG 91 4.681 -10.547 14.263 784 HH22 ARG 91 1HH2 ARG 91 4.957 -10.569 16.107 785 H VAL 92 H VAL 92 -4.125 -13.623 12.877 786 HA VAL 92 HA VAL 92 -5.694 -14.305 15.343 787 HB VAL 92 HB VAL 92 -6.216 -15.093 12.420 788 HG11 VAL 92 1HG1 VAL 92 -8.593 -15.529 13.121 789 HG12 VAL 92 2HG1 VAL 92 -7.487 -16.631 13.949 790 HG13 VAL 92 3HG1 VAL 92 -8.170 -15.233 14.823 791 HG21 VAL 92 3HG2 VAL 92 -6.382 -12.624 12.723 792 HG22 VAL 92 1HG2 VAL 92 -7.983 -13.294 12.426 793 HG23 VAL 92 2HG2 VAL 92 -7.516 -12.810 14.075 Start of MODEL 2 1 H HIS -1 H HIS -1 5.510 13.923 -0.573 2 HA HIS -1 HA HIS -1 5.673 15.489 1.251 3 HD2 HIS -1 HD2 HIS -1 6.131 18.132 1.791 4 HE1 HIS -1 HE1 HIS -1 4.992 20.340 -1.562 5 HE2 HIS -1 HE2 HIS -1 6.705 20.317 0.369 6 HB2 HIS -1 1HB HIS -1 2.920 16.404 0.221 7 HB3 HIS -1 2HB HIS -1 3.510 16.792 1.817 8 H MET 0 H MET 0 5.788 13.696 2.503 9 HA MET 0 HA MET 0 3.496 11.824 2.941 10 HB2 MET 0 1HB MET 0 5.926 11.131 2.984 11 HB3 MET 0 2HB MET 0 6.162 12.033 4.472 12 HG2 MET 0 1HG MET 0 4.221 9.640 4.099 13 HG3 MET 0 2HG MET 0 5.817 9.547 4.835 14 HE1 MET 0 3HE MET 0 6.282 11.710 6.991 15 HE2 MET 0 1HE MET 0 5.396 11.002 8.373 16 HE3 MET 0 2HE MET 0 6.337 9.940 7.283 17 H LYS 1 H LYS 1 1.798 12.472 4.088 18 HA LYS 1 HA LYS 1 2.213 13.994 6.728 19 HB2 LYS 1 1HB LYS 1 -0.076 14.392 4.734 20 HB3 LYS 1 2HB LYS 1 -0.116 14.919 6.418 21 HG2 LYS 1 1HG LYS 1 1.946 16.312 6.069 22 HG3 LYS 1 2HG LYS 1 1.975 15.889 4.372 23 HD2 LYS 1 1HD LYS 1 0.045 17.135 3.834 24 HD3 LYS 1 2HD LYS 1 -0.698 16.983 5.399 25 HE2 LYS 1 1HE LYS 1 1.810 18.756 4.939 26 HE3 LYS 1 2HE LYS 1 0.158 19.344 4.735 27 HZ1 LYS 1 3HZ LYS 1 1.346 18.262 7.338 28 HZ2 LYS 1 1HZ LYS 1 0.748 19.784 7.082 29 HZ3 LYS 1 2HZ LYS 1 -0.216 18.433 7.163 30 H VAL 2 H VAL 2 -0.547 12.100 5.455 31 HA VAL 2 HA VAL 2 -0.168 10.193 7.823 32 HB VAL 2 HB VAL 2 -2.922 11.320 7.096 33 HG11 VAL 2 1HG1 VAL 2 -3.745 9.992 9.082 34 HG12 VAL 2 2HG1 VAL 2 -3.095 8.936 7.825 35 HG13 VAL 2 3HG1 VAL 2 -2.128 9.271 9.282 36 HG21 VAL 2 3HG2 VAL 2 -1.681 13.008 8.468 37 HG22 VAL 2 1HG2 VAL 2 -2.948 12.263 9.455 38 HG23 VAL 2 2HG2 VAL 2 -1.244 11.772 9.666 39 H ASP 3 H ASP 3 0.745 8.720 6.468 40 HA ASP 3 HA ASP 3 -0.806 7.735 4.033 41 HB2 ASP 3 1HB ASP 3 1.703 8.252 3.835 42 HB3 ASP 3 2HB ASP 3 2.011 6.873 4.882 43 H ILE 4 H ILE 4 -2.221 6.137 4.391 44 HA ILE 4 HA ILE 4 -1.746 4.081 6.603 45 HB ILE 4 HB ILE 4 -4.142 4.293 4.723 46 HG12 ILE 4 1HG1 ILE 4 -4.274 5.232 7.650 47 HG13 ILE 4 2HG1 ILE 4 -3.912 6.342 6.347 48 HG21 ILE 4 1HG2 ILE 4 -5.307 2.770 6.363 49 HG22 ILE 4 2HG2 ILE 4 -3.842 2.013 5.738 50 HG23 ILE 4 3HG2 ILE 4 -3.839 2.709 7.366 51 HD11 ILE 4 3HD1 ILE 4 -6.094 5.765 5.191 52 HD12 ILE 4 1HD1 ILE 4 -6.527 4.722 6.573 53 HD13 ILE 4 2HD1 ILE 4 -6.303 6.466 6.809 54 H THR 5 H THR 5 0.136 3.179 5.631 55 HA THR 5 HA THR 5 -0.094 1.734 2.970 56 HB THR 5 HB THR 5 2.224 2.327 4.841 57 HG1 THR 5 HG1 THR 5 1.646 3.810 3.082 58 HG21 THR 5 3HG2 THR 5 2.324 0.325 2.487 59 HG22 THR 5 1HG2 THR 5 3.734 1.042 3.300 60 HG23 THR 5 2HG2 THR 5 2.669 -0.063 4.195 61 H ILE 6 H ILE 6 -1.414 0.095 3.059 62 HA ILE 6 HA ILE 6 -1.458 -1.880 5.372 63 HB ILE 6 HB ILE 6 -3.236 -1.708 2.862 64 HG12 ILE 6 1HG1 ILE 6 -3.787 -0.695 5.720 65 HG13 ILE 6 2HG1 ILE 6 -3.602 0.270 4.268 66 HG21 ILE 6 1HG2 ILE 6 -3.637 -3.424 5.407 67 HG22 ILE 6 2HG2 ILE 6 -4.762 -3.326 4.027 68 HG23 ILE 6 3HG2 ILE 6 -3.183 -4.048 3.799 69 HD11 ILE 6 3HD1 ILE 6 -5.717 -0.799 3.301 70 HD12 ILE 6 1HD1 ILE 6 -5.969 -1.606 4.871 71 HD13 ILE 6 2HD1 ILE 6 -5.974 0.162 4.781 72 H LYS 7 H LYS 7 -0.303 -3.786 5.275 73 HA LYS 7 HA LYS 7 -0.342 -5.267 2.568 74 HB2 LYS 7 1HB LYS 7 1.929 -5.074 4.607 75 HB3 LYS 7 2HB LYS 7 1.715 -6.580 3.732 76 HG2 LYS 7 1HG LYS 7 2.070 -5.597 1.585 77 HG3 LYS 7 2HG LYS 7 1.938 -3.942 2.174 78 HD2 LYS 7 1HD LYS 7 4.031 -4.142 3.455 79 HD3 LYS 7 2HD LYS 7 4.147 -5.875 3.172 80 HE2 LYS 7 1HE LYS 7 4.347 -3.729 0.926 81 HE3 LYS 7 2HE LYS 7 5.725 -4.429 1.765 82 HZ1 LYS 7 3HZ LYS 7 4.380 -6.738 0.973 83 HZ2 LYS 7 1HZ LYS 7 3.978 -5.685 -0.269 84 HZ3 LYS 7 2HZ LYS 7 5.550 -6.009 0.039 85 H ILE 8 H ILE 8 -2.171 -6.426 2.824 86 HA ILE 8 HA ILE 8 -2.629 -8.000 5.407 87 HB ILE 8 HB ILE 8 -4.914 -8.555 4.452 88 HG12 ILE 8 1HG1 ILE 8 -4.572 -6.094 2.648 89 HG13 ILE 8 2HG1 ILE 8 -4.457 -7.731 2.046 90 HG21 ILE 8 1HG2 ILE 8 -4.281 -5.662 5.257 91 HG22 ILE 8 2HG2 ILE 8 -5.889 -6.415 5.327 92 HG23 ILE 8 3HG2 ILE 8 -4.575 -7.022 6.340 93 HD11 ILE 8 3HD1 ILE 8 -6.850 -8.202 2.793 94 HD12 ILE 8 1HD1 ILE 8 -6.984 -6.517 3.356 95 HD13 ILE 8 2HD1 ILE 8 -6.733 -6.854 1.637 96 H GLN 9 H GLN 9 -1.839 -9.947 5.490 97 HA GLN 9 HA GLN 9 -1.169 -11.493 3.001 98 HB2 GLN 9 1HB GLN 9 -0.643 -12.139 5.947 99 HB3 GLN 9 2HB GLN 9 -0.092 -13.089 4.580 100 HG2 GLN 9 1HG GLN 9 1.146 -10.962 3.702 101 HG3 GLN 9 2HG GLN 9 0.747 -10.186 5.213 102 HE21 GLN 9 1HE2 GLN 9 2.806 -12.549 3.709 103 HE22 GLN 9 2HE2 GLN 9 3.841 -12.784 5.210 104 H ARG 10 H ARG 10 -2.850 -12.372 2.012 105 HA ARG 10 HA ARG 10 -4.987 -13.987 3.501 106 HE ARG 10 HE ARG 10 -8.275 -13.279 0.620 107 HB2 ARG 10 1HB ARG 10 -4.694 -12.774 0.682 108 HB3 ARG 10 2HB ARG 10 -5.842 -14.039 0.949 109 HG2 ARG 10 1HG ARG 10 -5.856 -11.491 2.685 110 HG3 ARG 10 2HG ARG 10 -6.655 -11.542 1.136 111 HD2 ARG 10 1HD ARG 10 -7.287 -13.493 3.449 112 HD3 ARG 10 2HD ARG 10 -8.199 -12.010 3.136 113 HH11 ARG 10 2HH1 ARG 10 -9.103 -14.481 3.830 114 HH12 ARG 10 1HH1 ARG 10 -10.254 -15.697 3.118 115 HH21 ARG 10 2HH2 ARG 10 -9.615 -14.690 -0.101 116 HH22 ARG 10 1HH2 ARG 10 -10.481 -15.835 1.019 117 H ASP 11 H ASP 11 -3.633 -15.724 4.101 118 HA ASP 11 HA ASP 11 -2.430 -17.775 3.886 119 HB2 ASP 11 1HB ASP 11 -4.731 -18.126 1.885 120 HB3 ASP 11 2HB ASP 11 -3.698 -19.439 2.401 121 H GLY 12 H GLY 12 -0.710 -16.230 2.875 122 HA2 GLY 12 1HA GLY 12 1.337 -16.647 1.366 123 HA3 GLY 12 2HA GLY 12 0.293 -17.368 0.174 124 H GLN 13 H GLN 13 -1.778 -15.384 0.092 125 HA GLN 13 HA GLN 13 -0.415 -13.486 -1.797 126 HB2 GLN 13 1HB GLN 13 -3.359 -13.949 -0.994 127 HB3 GLN 13 2HB GLN 13 -2.901 -12.747 -2.157 128 HG2 GLN 13 1HG GLN 13 -1.920 -14.462 -3.681 129 HG3 GLN 13 2HG GLN 13 -2.244 -15.741 -2.510 130 HE21 GLN 13 1HE2 GLN 13 -3.284 -16.502 -4.605 131 HE22 GLN 13 2HE2 GLN 13 -5.060 -16.044 -4.796 132 H GLU 14 H GLU 14 0.782 -11.945 -0.604 133 HA GLU 14 HA GLU 14 -0.599 -10.171 1.348 134 HB2 GLU 14 1HB GLU 14 1.306 -8.987 1.713 135 HB3 GLU 14 2HB GLU 14 1.758 -10.678 1.599 136 HG2 GLU 14 1HG GLU 14 2.730 -10.251 -0.727 137 HG3 GLU 14 2HG GLU 14 2.307 -8.549 -0.563 138 H ILE 15 H ILE 15 -2.153 -8.934 0.728 139 HA ILE 15 HA ILE 15 -2.147 -7.630 -2.063 140 HB ILE 15 HB ILE 15 -4.497 -8.248 -0.203 141 HG12 ILE 15 1HG1 ILE 15 -3.819 -9.434 -2.982 142 HG13 ILE 15 2HG1 ILE 15 -3.378 -10.208 -1.480 143 HG21 ILE 15 1HG2 ILE 15 -4.966 -6.128 -1.490 144 HG22 ILE 15 2HG2 ILE 15 -4.564 -6.944 -3.020 145 HG23 ILE 15 3HG2 ILE 15 -5.985 -7.441 -2.075 146 HD11 ILE 15 3HD1 ILE 15 -5.424 -11.262 -2.277 147 HD12 ILE 15 1HD1 ILE 15 -5.789 -10.378 -0.773 148 HD13 ILE 15 2HD1 ILE 15 -6.286 -9.709 -2.352 149 H GLU 16 H GLU 16 -1.353 -5.641 -2.038 150 HA GLU 16 HA GLU 16 -1.428 -4.077 0.548 151 HB2 GLU 16 1HB GLU 16 0.774 -3.333 0.173 152 HB3 GLU 16 2HB GLU 16 0.671 -5.077 0.026 153 HG2 GLU 16 1HG GLU 16 0.858 -4.877 -2.509 154 HG3 GLU 16 2HG GLU 16 1.026 -3.124 -2.347 155 H ILE 17 H ILE 17 -1.676 -1.969 0.743 156 HA ILE 17 HA ILE 17 -2.593 -0.315 -1.639 157 HB ILE 17 HB ILE 17 -4.541 -0.555 0.721 158 HG12 ILE 17 1HG1 ILE 17 -6.062 -1.822 -1.145 159 HG13 ILE 17 2HG1 ILE 17 -4.516 -2.386 -1.726 160 HG21 ILE 17 1HG2 ILE 17 -4.986 0.429 -2.180 161 HG22 ILE 17 2HG2 ILE 17 -6.147 0.517 -0.834 162 HG23 ILE 17 3HG2 ILE 17 -4.671 1.491 -0.788 163 HD11 ILE 17 3HD1 ILE 17 -4.076 -3.421 0.595 164 HD12 ILE 17 1HD1 ILE 17 -5.629 -2.761 1.158 165 HD13 ILE 17 2HD1 ILE 17 -5.590 -4.000 -0.118 166 H ASP 18 H ASP 18 -1.583 1.628 -1.398 167 HA ASP 18 HA ASP 18 -1.169 2.810 1.364 168 HB2 ASP 18 1HB ASP 18 0.389 4.285 0.501 169 HB3 ASP 18 2HB ASP 18 0.781 2.716 -0.150 170 H ILE 19 H ILE 19 -2.962 3.710 2.140 171 HA ILE 19 HA ILE 19 -4.706 5.484 0.324 172 HB ILE 19 HB ILE 19 -5.548 4.598 3.115 173 HG12 ILE 19 1HG1 ILE 19 -7.318 3.198 1.682 174 HG13 ILE 19 2HG1 ILE 19 -6.099 3.232 0.420 175 HG21 ILE 19 1HG2 ILE 19 -7.142 5.856 0.786 176 HG22 ILE 19 2HG2 ILE 19 -7.814 5.347 2.352 177 HG23 ILE 19 3HG2 ILE 19 -6.662 6.682 2.285 178 HD11 ILE 19 3HD1 ILE 19 -5.677 2.129 3.298 179 HD12 ILE 19 1HD1 ILE 19 -6.054 1.149 1.862 180 HD13 ILE 19 2HD1 ILE 19 -4.503 1.994 1.969 181 H ARG 20 H ARG 20 -3.297 7.164 0.224 182 HA ARG 20 HA ARG 20 -2.179 8.487 2.627 183 HE ARG 20 HE ARG 20 -0.356 6.597 -1.948 184 HB2 ARG 20 1HB ARG 20 -0.775 9.653 1.101 185 HB3 ARG 20 2HB ARG 20 -0.868 7.975 0.678 186 HG2 ARG 20 1HG ARG 20 -2.816 8.968 -1.067 187 HG3 ARG 20 2HG ARG 20 -1.867 10.411 -0.840 188 HD2 ARG 20 1HD ARG 20 -0.759 9.474 -2.716 189 HD3 ARG 20 2HD ARG 20 0.253 8.898 -1.421 190 HH11 ARG 20 2HH1 ARG 20 -2.679 8.719 -3.411 191 HH12 ARG 20 1HH1 ARG 20 -3.331 7.377 -4.484 192 HH21 ARG 20 2HH2 ARG 20 -1.161 5.087 -3.068 193 HH22 ARG 20 1HH2 ARG 20 -2.480 5.420 -4.285 194 H VAL 21 H VAL 21 -3.585 9.552 3.864 195 HA VAL 21 HA VAL 21 -5.388 11.731 2.687 196 HB VAL 21 HB VAL 21 -7.362 10.782 3.971 197 HG11 VAL 21 1HG1 VAL 21 -7.290 10.710 1.500 198 HG12 VAL 21 2HG1 VAL 21 -6.439 9.150 1.539 199 HG13 VAL 21 3HG1 VAL 21 -8.107 9.277 2.150 200 HG21 VAL 21 3HG2 VAL 21 -6.216 9.048 5.395 201 HG22 VAL 21 1HG2 VAL 21 -7.545 8.361 4.441 202 HG23 VAL 21 2HG2 VAL 21 -5.849 8.100 3.956 203 H SER 22 H SER 22 -4.109 13.245 3.764 204 HA SER 22 HA SER 22 -4.304 13.352 6.807 205 HG SER 22 HG SER 22 -3.722 16.011 4.688 206 HB2 SER 22 1HB SER 22 -2.736 15.156 6.727 207 HB3 SER 22 2HB SER 22 -2.150 13.861 5.691 208 H THR 23 H THR 23 -6.532 13.517 6.905 209 HA THR 23 HA THR 23 -7.819 16.218 6.682 210 HB THR 23 HB THR 23 -7.920 15.597 4.356 211 HG1 THR 23 HG1 THR 23 -10.465 14.840 4.710 212 HG21 THR 23 3HG2 THR 23 -9.068 13.596 3.430 213 HG22 THR 23 1HG2 THR 23 -7.655 13.118 4.381 214 HG23 THR 23 2HG2 THR 23 -9.276 12.920 5.077 215 H GLY 24 H GLY 24 -9.981 16.223 7.463 216 HA2 GLY 24 1HA GLY 24 -10.674 14.140 9.606 217 HA3 GLY 24 2HA GLY 24 -11.546 15.635 9.348 218 H LYS 25 H LYS 25 -12.445 15.687 6.941 219 HA LYS 25 HA LYS 25 -14.311 13.344 6.552 220 HB2 LYS 25 1HB LYS 25 -13.969 15.994 5.004 221 HB3 LYS 25 2HB LYS 25 -15.077 14.734 4.505 222 HG2 LYS 25 1HG LYS 25 -16.351 14.881 6.659 223 HG3 LYS 25 2HG LYS 25 -15.228 16.094 7.267 224 HD2 LYS 25 1HD LYS 25 -15.873 17.651 5.332 225 HD3 LYS 25 2HD LYS 25 -16.962 16.422 4.730 226 HE2 LYS 25 1HE LYS 25 -18.394 17.935 5.884 227 HE3 LYS 25 2HE LYS 25 -18.297 16.530 6.936 228 HZ1 LYS 25 3HZ LYS 25 -16.592 17.740 8.298 229 HZ2 LYS 25 1HZ LYS 25 -16.605 19.022 7.281 230 HZ3 LYS 25 2HZ LYS 25 -17.933 18.683 8.189 231 H GLU 26 H GLU 26 -14.122 11.860 5.028 232 HA GLU 26 HA GLU 26 -13.256 10.533 3.250 233 HB2 GLU 26 1HB GLU 26 -10.799 12.289 2.884 234 HB3 GLU 26 2HB GLU 26 -11.123 10.792 2.050 235 HG2 GLU 26 1HG GLU 26 -13.150 11.727 0.965 236 HG3 GLU 26 2HG GLU 26 -12.957 13.268 1.852 237 H LEU 27 H LEU 27 -10.884 11.577 5.727 238 HA LEU 27 HA LEU 27 -9.616 8.949 6.060 239 HG LEU 27 HG LEU 27 -9.313 9.140 9.294 240 HB2 LEU 27 1HB LEU 27 -8.655 11.052 6.957 241 HB3 LEU 27 2HB LEU 27 -10.015 11.245 8.048 242 HD11 LEU 27 1HD1 LEU 27 -7.014 8.222 8.935 243 HD12 LEU 27 2HD1 LEU 27 -7.982 8.003 7.467 244 HD13 LEU 27 3HD1 LEU 27 -6.764 9.307 7.547 245 HD21 LEU 27 3HD2 LEU 27 -7.203 11.388 9.080 246 HD22 LEU 27 1HD2 LEU 27 -8.649 11.399 10.112 247 HD23 LEU 27 2HD2 LEU 27 -7.348 10.233 10.429 248 H GLU 28 H GLU 28 -12.313 10.314 8.048 249 HA GLU 28 HA GLU 28 -13.002 7.817 9.368 250 HB2 GLU 28 1HB GLU 28 -13.693 10.163 10.034 251 HB3 GLU 28 2HB GLU 28 -14.841 10.192 8.706 252 HG2 GLU 28 1HG GLU 28 -15.990 9.702 10.833 253 HG3 GLU 28 2HG GLU 28 -16.133 8.296 9.788 254 H ARG 29 H ARG 29 -14.154 8.974 6.228 255 HA ARG 29 HA ARG 29 -16.056 6.704 5.734 256 HE ARG 29 HE ARG 29 -15.632 10.870 2.902 257 HB2 ARG 29 1HB ARG 29 -14.781 8.640 3.706 258 HB3 ARG 29 2HB ARG 29 -15.946 7.397 3.305 259 HG2 ARG 29 1HG ARG 29 -17.613 8.474 4.942 260 HG3 ARG 29 2HG ARG 29 -16.515 9.823 5.130 261 HD2 ARG 29 1HD ARG 29 -17.754 8.870 2.454 262 HD3 ARG 29 2HD ARG 29 -18.401 10.178 3.454 263 HH11 ARG 29 2HH1 ARG 29 -18.552 10.449 1.070 264 HH12 ARG 29 1HH1 ARG 29 -17.995 11.606 -0.236 265 HH21 ARG 29 2HH2 ARG 29 -15.034 12.196 1.419 266 HH22 ARG 29 1HH2 ARG 29 -16.074 12.523 -0.033 267 H ALA 30 H ALA 30 -12.635 7.287 4.666 268 HA ALA 30 HA ALA 30 -12.220 4.601 3.542 269 HB1 ALA 30 3HB ALA 30 -10.666 6.508 3.112 270 HB2 ALA 30 1HB ALA 30 -10.219 6.577 4.834 271 HB3 ALA 30 2HB ALA 30 -9.783 5.156 3.857 272 H LEU 31 H LEU 31 -11.540 5.780 6.908 273 HA LEU 31 HA LEU 31 -10.646 3.284 8.063 274 HG LEU 31 HG LEU 31 -11.764 3.496 10.894 275 HB2 LEU 31 1HB LEU 31 -10.589 5.666 9.054 276 HB3 LEU 31 2HB LEU 31 -12.304 5.526 9.356 277 HD11 LEU 31 1HD1 LEU 31 -8.867 4.559 10.523 278 HD12 LEU 31 2HD1 LEU 31 -9.382 3.422 11.787 279 HD13 LEU 31 3HD1 LEU 31 -9.457 2.938 10.083 280 HD21 LEU 31 3HD2 LEU 31 -10.596 6.257 11.653 281 HD22 LEU 31 1HD2 LEU 31 -12.310 5.794 11.753 282 HD23 LEU 31 2HD2 LEU 31 -11.117 4.984 12.786 283 H GLN 32 H GLN 32 -14.072 4.470 7.961 284 HA GLN 32 HA GLN 32 -15.152 1.944 9.036 285 HB2 GLN 32 1HB GLN 32 -16.427 4.378 7.677 286 HB3 GLN 32 2HB GLN 32 -17.369 3.008 8.204 287 HG2 GLN 32 1HG GLN 32 -16.549 3.297 10.585 288 HG3 GLN 32 2HG GLN 32 -15.612 4.698 10.078 289 HE21 GLN 32 1HE2 GLN 32 -16.663 6.319 11.119 290 HE22 GLN 32 2HE2 GLN 32 -18.495 6.598 10.993 291 H GLU 33 H GLU 33 -14.395 2.751 5.665 292 HA GLU 33 HA GLU 33 -15.750 0.148 4.819 293 HB2 GLU 33 1HB GLU 33 -15.975 2.199 3.378 294 HB3 GLU 33 2HB GLU 33 -14.261 2.099 3.017 295 HG2 GLU 33 1HG GLU 33 -15.588 1.062 1.193 296 HG3 GLU 33 2HG GLU 33 -14.634 -0.196 1.963 297 H LEU 34 H LEU 34 -12.418 1.340 5.337 298 HA LEU 34 HA LEU 34 -11.103 -1.182 4.584 299 HG LEU 34 HG LEU 34 -10.378 1.722 4.045 300 HB2 LEU 34 1HB LEU 34 -10.212 0.994 6.545 301 HB3 LEU 34 2HB LEU 34 -9.184 -0.322 6.024 302 HD11 LEU 34 1HD1 LEU 34 -8.153 2.845 4.090 303 HD12 LEU 34 2HD1 LEU 34 -8.918 2.890 5.686 304 HD13 LEU 34 3HD1 LEU 34 -7.592 1.745 5.374 305 HD21 LEU 34 3HD2 LEU 34 -8.544 0.921 2.513 306 HD22 LEU 34 1HD2 LEU 34 -8.138 -0.362 3.679 307 HD23 LEU 34 2HD2 LEU 34 -9.723 -0.346 2.879 308 H GLU 35 H GLU 35 -12.380 -0.211 7.834 309 HA GLU 35 HA GLU 35 -11.947 -2.783 9.162 310 HB2 GLU 35 1HB GLU 35 -13.509 -2.078 10.809 311 HB3 GLU 35 2HB GLU 35 -12.710 -0.638 10.250 312 HG2 GLU 35 1HG GLU 35 -14.918 0.050 10.522 313 HG3 GLU 35 2HG GLU 35 -14.746 -0.172 8.793 314 H LYS 36 H LYS 36 -14.544 -1.804 7.017 315 HA LYS 36 HA LYS 36 -16.095 -4.284 7.085 316 HB2 LYS 36 1HB LYS 36 -16.428 -1.675 6.029 317 HB3 LYS 36 2HB LYS 36 -16.277 -2.594 4.566 318 HG2 LYS 36 1HG LYS 36 -18.200 -4.085 5.361 319 HG3 LYS 36 2HG LYS 36 -18.279 -3.167 6.859 320 HD2 LYS 36 1HD LYS 36 -18.857 -2.139 4.010 321 HD3 LYS 36 2HD LYS 36 -20.034 -2.403 5.277 322 HE2 LYS 36 1HE LYS 36 -17.957 -0.145 5.024 323 HE3 LYS 36 2HE LYS 36 -19.685 0.001 4.984 324 HZ1 LYS 36 3HZ LYS 36 -17.980 -0.610 7.435 325 HZ2 LYS 36 1HZ LYS 36 -18.972 0.663 7.218 326 HZ3 LYS 36 2HZ LYS 36 -19.596 -0.850 7.474 327 H ALA 37 H ALA 37 -13.775 -3.143 4.562 328 HA ALA 37 HA ALA 37 -13.520 -5.685 3.135 329 HB1 ALA 37 3HB ALA 37 -11.434 -3.437 3.509 330 HB2 ALA 37 1HB ALA 37 -11.395 -4.694 2.252 331 HB3 ALA 37 2HB ALA 37 -12.694 -3.481 2.251 332 H LEU 38 H LEU 38 -11.836 -4.718 6.134 333 HA LEU 38 HA LEU 38 -10.229 -7.222 6.306 334 HG LEU 38 HG LEU 38 -9.277 -4.404 6.833 335 HB2 LEU 38 1HB LEU 38 -11.137 -5.192 8.432 336 HB3 LEU 38 2HB LEU 38 -10.155 -6.576 8.836 337 HD11 LEU 38 1HD1 LEU 38 -9.523 -3.464 9.136 338 HD12 LEU 38 2HD1 LEU 38 -8.520 -4.773 9.813 339 HD13 LEU 38 3HD1 LEU 38 -7.811 -3.581 8.697 340 HD21 LEU 38 3HD2 LEU 38 -6.979 -5.390 7.173 341 HD22 LEU 38 1HD2 LEU 38 -7.677 -6.696 8.160 342 HD23 LEU 38 2HD2 LEU 38 -8.077 -6.564 6.431 343 H ALA 39 H ALA 39 -13.340 -6.360 7.949 344 HA ALA 39 HA ALA 39 -13.718 -9.052 9.087 345 HB1 ALA 39 3HB ALA 39 -15.779 -6.788 8.599 346 HB2 ALA 39 1HB ALA 39 -15.992 -8.171 9.698 347 HB3 ALA 39 2HB ALA 39 -14.750 -6.951 10.037 348 H ARG 40 H ARG 40 -15.259 -7.602 6.184 349 HA ARG 40 HA ARG 40 -16.442 -10.295 5.347 350 HE ARG 40 HE ARG 40 -15.726 -8.267 1.756 351 HB2 ARG 40 1HB ARG 40 -17.810 -8.239 5.205 352 HB3 ARG 40 2HB ARG 40 -16.597 -7.437 4.249 353 HG2 ARG 40 1HG ARG 40 -17.310 -9.840 2.736 354 HG3 ARG 40 2HG ARG 40 -18.797 -9.232 3.406 355 HD2 ARG 40 1HD ARG 40 -18.496 -8.191 1.207 356 HD3 ARG 40 2HD ARG 40 -18.323 -6.929 2.441 357 HH11 ARG 40 2HH1 ARG 40 -17.753 -5.529 0.980 358 HH12 ARG 40 1HH1 ARG 40 -16.319 -4.522 0.471 359 HH21 ARG 40 2HH2 ARG 40 -14.176 -7.177 1.013 360 HH22 ARG 40 1HH2 ARG 40 -14.388 -5.463 0.414 361 H ALA 41 H ALA 41 -14.039 -10.832 5.571 362 HA ALA 41 HA ALA 41 -13.072 -11.696 2.933 363 HB1 ALA 41 3HB ALA 41 -12.139 -9.356 2.747 364 HB2 ALA 41 1HB ALA 41 -11.232 -9.588 4.255 365 HB3 ALA 41 2HB ALA 41 -10.842 -10.563 2.818 366 H GLY 42 H GLY 42 -11.658 -11.027 6.216 367 HA2 GLY 42 1HA GLY 42 -10.678 -12.680 7.753 368 HA3 GLY 42 2HA GLY 42 -11.056 -13.960 6.627 369 H ALA 43 H ALA 43 -8.777 -11.331 7.249 370 HA ALA 43 HA ALA 43 -6.635 -12.625 5.505 371 HB1 ALA 43 3HB ALA 43 -5.342 -10.523 6.016 372 HB2 ALA 43 1HB ALA 43 -6.924 -10.179 5.285 373 HB3 ALA 43 2HB ALA 43 -6.686 -9.951 7.035 374 H ARG 44 H ARG 44 -4.596 -13.213 6.327 375 HA ARG 44 HA ARG 44 -4.734 -14.488 9.067 376 HE ARG 44 HE ARG 44 -5.497 -18.157 6.086 377 HB2 ARG 44 1HB ARG 44 -2.546 -14.762 6.933 378 HB3 ARG 44 2HB ARG 44 -2.590 -15.616 8.455 379 HG2 ARG 44 1HG ARG 44 -4.666 -15.912 6.193 380 HG3 ARG 44 2HG ARG 44 -3.313 -16.988 6.491 381 HD2 ARG 44 1HD ARG 44 -4.278 -17.588 8.778 382 HD3 ARG 44 2HD ARG 44 -5.685 -16.536 8.441 383 HH11 ARG 44 2HH1 ARG 44 -6.139 -18.792 9.458 384 HH12 ARG 44 1HH1 ARG 44 -6.857 -20.435 9.070 385 HH21 ARG 44 2HH2 ARG 44 -6.015 -20.052 5.733 386 HH22 ARG 44 1HH2 ARG 44 -6.866 -21.090 7.001 387 H ASN 45 H ASN 45 -2.175 -12.519 7.471 388 HA ASN 45 HA ASN 45 -1.622 -11.242 10.212 389 HB2 ASN 45 1HB ASN 45 0.278 -12.657 9.420 390 HB3 ASN 45 2HB ASN 45 0.411 -11.683 7.972 391 HD21 ASN 45 1HD2 ASN 45 2.276 -10.566 8.245 392 HD22 ASN 45 2HD2 ASN 45 2.779 -9.754 9.821 393 H VAL 46 H VAL 46 -2.537 -9.394 10.291 394 HA VAL 46 HA VAL 46 -2.886 -7.580 7.833 395 HB VAL 46 HB VAL 46 -4.209 -7.557 10.594 396 HG11 VAL 46 1HG1 VAL 46 -5.749 -5.760 9.705 397 HG12 VAL 46 2HG1 VAL 46 -4.077 -5.215 9.855 398 HG13 VAL 46 3HG1 VAL 46 -4.728 -5.618 8.251 399 HG21 VAL 46 3HG2 VAL 46 -5.500 -8.234 7.887 400 HG22 VAL 46 1HG2 VAL 46 -5.143 -9.386 9.193 401 HG23 VAL 46 2HG2 VAL 46 -6.335 -8.112 9.450 402 H GLN 47 H GLN 47 -0.835 -6.744 7.671 403 HA GLN 47 HA GLN 47 0.304 -5.247 10.087 404 HB2 GLN 47 1HB GLN 47 2.471 -5.320 9.045 405 HB3 GLN 47 2HB GLN 47 1.825 -6.873 9.548 406 HG2 GLN 47 1HG GLN 47 1.366 -7.491 7.172 407 HG3 GLN 47 2HG GLN 47 1.923 -5.910 6.634 408 HE21 GLN 47 1HE2 GLN 47 3.051 -8.007 5.506 409 HE22 GLN 47 2HE2 GLN 47 4.757 -8.249 6.148 410 H ILE 48 H ILE 48 -0.512 -3.343 10.123 411 HA ILE 48 HA ILE 48 -0.688 -1.638 7.566 412 HB ILE 48 HB ILE 48 -2.226 -1.354 10.203 413 HG12 ILE 48 1HG1 ILE 48 -3.457 -2.089 7.472 414 HG13 ILE 48 2HG1 ILE 48 -2.928 -3.317 8.591 415 HG21 ILE 48 1HG2 ILE 48 -1.875 0.883 9.175 416 HG22 ILE 48 2HG2 ILE 48 -2.440 0.310 7.592 417 HG23 ILE 48 3HG2 ILE 48 -3.567 0.439 8.968 418 HD11 ILE 48 3HD1 ILE 48 -5.113 -1.235 9.247 419 HD12 ILE 48 1HD1 ILE 48 -5.340 -2.963 8.912 420 HD13 ILE 48 2HD1 ILE 48 -4.487 -2.455 10.386 421 H THR 49 H THR 49 0.912 -0.209 7.372 422 HA THR 49 HA THR 49 2.259 0.993 9.847 423 HB THR 49 HB THR 49 3.238 1.035 6.947 424 HG1 THR 49 HG1 THR 49 4.960 -0.119 8.046 425 HG21 THR 49 3HG2 THR 49 5.371 1.995 7.914 426 HG22 THR 49 1HG2 THR 49 4.020 3.106 8.181 427 HG23 THR 49 2HG2 THR 49 4.611 2.099 9.523 428 H ILE 50 H ILE 50 1.177 2.681 10.526 429 HA ILE 50 HA ILE 50 0.053 4.725 8.530 430 HB ILE 50 HB ILE 50 -0.862 3.922 11.281 431 HG12 ILE 50 1HG1 ILE 50 -2.417 4.823 8.778 432 HG13 ILE 50 2HG1 ILE 50 -1.809 3.194 8.900 433 HG21 ILE 50 1HG2 ILE 50 -2.304 6.002 11.434 434 HG22 ILE 50 2HG2 ILE 50 -0.586 6.364 11.629 435 HG23 ILE 50 3HG2 ILE 50 -1.398 6.725 10.086 436 HD11 ILE 50 3HD1 ILE 50 -4.235 3.356 9.553 437 HD12 ILE 50 1HD1 ILE 50 -3.226 2.670 10.836 438 HD13 ILE 50 2HD1 ILE 50 -3.806 4.358 10.950 439 H SER 51 H SER 51 1.586 6.008 7.917 440 HA SER 51 HA SER 51 3.764 6.903 9.846 441 HG SER 51 HG SER 51 3.067 8.514 6.938 442 HB2 SER 51 1HB SER 51 5.058 7.569 8.001 443 HB3 SER 51 2HB SER 51 4.327 6.043 7.516 444 H ALA 52 H ALA 52 3.113 8.466 11.162 445 HA ALA 52 HA ALA 52 1.355 10.741 10.192 446 HB1 ALA 52 3HB ALA 52 0.822 9.327 12.236 447 HB2 ALA 52 1HB ALA 52 2.292 9.923 13.035 448 HB3 ALA 52 2HB ALA 52 0.976 11.046 12.643 449 H GLU 53 H GLU 53 1.674 12.903 10.937 450 HA GLU 53 HA GLU 53 4.341 14.004 10.411 451 HB2 GLU 53 1HB GLU 53 1.802 15.433 11.426 452 HB3 GLU 53 2HB GLU 53 3.268 16.233 10.892 453 HG2 GLU 53 1HG GLU 53 3.039 15.105 8.603 454 HG3 GLU 53 2HG GLU 53 1.472 14.477 9.106 455 H ASN 54 H ASN 54 2.849 13.369 13.538 456 HA ASN 54 HA ASN 54 5.269 14.539 14.970 457 HB2 ASN 54 1HB ASN 54 2.376 15.605 15.250 458 HB3 ASN 54 2HB ASN 54 3.358 15.533 16.678 459 HD21 ASN 54 1HD2 ASN 54 4.582 16.538 13.459 460 HD22 ASN 54 2HD2 ASN 54 4.876 18.240 14.090 461 H ASP 55 H ASP 55 5.658 13.719 17.029 462 HA ASP 55 HA ASP 55 4.998 11.080 17.608 463 HB2 ASP 55 1HB ASP 55 5.887 13.244 19.630 464 HB3 ASP 55 2HB ASP 55 5.988 11.514 19.889 465 H GLU 56 H GLU 56 3.333 13.813 19.322 466 HA GLU 56 HA GLU 56 1.310 12.108 20.619 467 HB2 GLU 56 1HB GLU 56 1.385 15.100 20.029 468 HB3 GLU 56 2HB GLU 56 -0.095 14.369 20.540 469 HG2 GLU 56 1HG GLU 56 2.059 13.458 22.394 470 HG3 GLU 56 2HG GLU 56 2.124 15.193 22.212 471 H GLN 57 H GLN 57 1.287 13.444 17.339 472 HA GLN 57 HA GLN 57 -1.478 12.523 16.627 473 HB2 GLN 57 1HB GLN 57 0.923 13.269 14.857 474 HB3 GLN 57 2HB GLN 57 -0.624 12.792 14.208 475 HG2 GLN 57 1HG GLN 57 -0.272 15.238 16.058 476 HG3 GLN 57 2HG GLN 57 -0.188 15.327 14.316 477 HE21 GLN 57 1HE2 GLN 57 -2.172 15.134 13.116 478 HE22 GLN 57 2HE2 GLN 57 -3.780 15.212 14.015 479 H ALA 58 H ALA 58 1.768 11.048 16.188 480 HA ALA 58 HA ALA 58 0.867 8.437 15.194 481 HB1 ALA 58 3HB ALA 58 3.128 7.670 15.982 482 HB2 ALA 58 1HB ALA 58 3.254 9.236 15.153 483 HB3 ALA 58 2HB ALA 58 3.328 9.155 16.928 484 H LYS 59 H LYS 59 1.365 9.489 18.610 485 HA LYS 59 HA LYS 59 0.250 7.089 19.910 486 HB2 LYS 59 1HB LYS 59 1.553 8.366 21.262 487 HB3 LYS 59 2HB LYS 59 0.953 9.904 20.734 488 HG2 LYS 59 1HG LYS 59 -0.969 8.144 22.370 489 HG3 LYS 59 2HG LYS 59 0.415 8.844 23.181 490 HD2 LYS 59 1HD LYS 59 -0.200 11.143 22.416 491 HD3 LYS 59 2HD LYS 59 -1.540 10.519 21.469 492 HE2 LYS 59 1HE LYS 59 -2.705 9.681 23.515 493 HE3 LYS 59 2HE LYS 59 -1.368 10.192 24.560 494 HZ1 LYS 59 3HZ LYS 59 -3.131 11.941 22.827 495 HZ2 LYS 59 1HZ LYS 59 -3.028 12.049 24.446 496 HZ3 LYS 59 2HZ LYS 59 -1.705 12.559 23.514 497 H GLU 60 H GLU 60 -1.538 10.131 19.093 498 HA GLU 60 HA GLU 60 -4.200 9.136 19.696 499 HB2 GLU 60 1HB GLU 60 -3.386 11.153 17.527 500 HB3 GLU 60 2HB GLU 60 -5.032 10.851 18.039 501 HG2 GLU 60 1HG GLU 60 -2.840 12.050 19.857 502 HG3 GLU 60 2HG GLU 60 -4.115 12.927 19.049 503 H LEU 61 H LEU 61 -2.520 8.877 16.511 504 HA LEU 61 HA LEU 61 -4.573 7.135 15.303 505 HG LEU 61 HG LEU 61 -3.527 9.419 14.175 506 HB2 LEU 61 1HB LEU 61 -1.624 7.573 14.610 507 HB3 LEU 61 2HB LEU 61 -2.648 6.514 13.672 508 HD11 LEU 61 1HD1 LEU 61 -2.482 10.139 12.067 509 HD12 LEU 61 2HD1 LEU 61 -1.252 9.584 13.214 510 HD13 LEU 61 3HD1 LEU 61 -1.719 8.548 11.843 511 HD21 LEU 61 3HD2 LEU 61 -5.244 7.839 13.193 512 HD22 LEU 61 1HD2 LEU 61 -4.800 9.114 12.045 513 HD23 LEU 61 2HD2 LEU 61 -4.144 7.473 11.844 514 H LEU 62 H LEU 62 -1.557 6.134 17.035 515 HA LEU 62 HA LEU 62 -1.969 3.251 17.040 516 HG LEU 62 HG LEU 62 -1.318 3.166 20.395 517 HB2 LEU 62 1HB LEU 62 0.077 4.266 17.864 518 HB3 LEU 62 2HB LEU 62 -0.780 5.207 19.059 519 HD11 LEU 62 1HD1 LEU 62 0.476 1.654 18.381 520 HD12 LEU 62 2HD1 LEU 62 -0.122 1.009 19.930 521 HD13 LEU 62 3HD1 LEU 62 -1.270 1.387 18.640 522 HD21 LEU 62 3HD2 LEU 62 1.675 3.595 19.772 523 HD22 LEU 62 1HD2 LEU 62 0.683 4.571 20.881 524 HD23 LEU 62 2HD2 LEU 62 1.012 2.870 21.259 525 H GLU 63 H GLU 63 -3.318 5.574 19.443 526 HA GLU 63 HA GLU 63 -5.027 3.580 20.793 527 HB2 GLU 63 1HB GLU 63 -5.075 6.652 20.749 528 HB3 GLU 63 2HB GLU 63 -6.239 5.714 21.669 529 HG2 GLU 63 1HG GLU 63 -4.459 4.639 23.041 530 HG3 GLU 63 2HG GLU 63 -3.196 5.412 22.085 531 H LEU 64 H LEU 64 -5.917 5.905 18.183 532 HA LEU 64 HA LEU 64 -8.631 4.931 17.786 533 HG LEU 64 HG LEU 64 -8.793 5.231 14.633 534 HB2 LEU 64 1HB LEU 64 -7.658 7.054 16.852 535 HB3 LEU 64 2HB LEU 64 -6.675 6.108 15.758 536 HD11 LEU 64 1HD1 LEU 64 -10.968 6.433 15.077 537 HD12 LEU 64 2HD1 LEU 64 -10.444 5.533 16.509 538 HD13 LEU 64 3HD1 LEU 64 -10.226 7.301 16.445 539 HD21 LEU 64 3HD2 LEU 64 -9.283 7.373 13.432 540 HD22 LEU 64 1HD2 LEU 64 -8.487 8.309 14.720 541 HD23 LEU 64 2HD2 LEU 64 -7.540 7.193 13.706 542 H ILE 65 H ILE 65 -5.650 3.714 16.140 543 HA ILE 65 HA ILE 65 -7.083 1.549 14.724 544 HB ILE 65 HB ILE 65 -4.139 1.360 15.451 545 HG12 ILE 65 1HG1 ILE 65 -4.915 2.445 12.688 546 HG13 ILE 65 2HG1 ILE 65 -4.865 3.562 14.008 547 HG21 ILE 65 1HG2 ILE 65 -5.157 -0.750 14.493 548 HG22 ILE 65 2HG2 ILE 65 -5.786 0.150 13.101 549 HG23 ILE 65 3HG2 ILE 65 -4.038 -0.062 13.306 550 HD11 ILE 65 3HD1 ILE 65 -2.486 1.840 13.065 551 HD12 ILE 65 1HD1 ILE 65 -2.632 3.609 13.031 552 HD13 ILE 65 2HD1 ILE 65 -2.455 2.776 14.582 553 H ALA 66 H ALA 66 -5.270 1.444 17.889 554 HA ALA 66 HA ALA 66 -5.851 -1.317 18.559 555 HB1 ALA 66 3HB ALA 66 -5.573 1.127 20.428 556 HB2 ALA 66 1HB ALA 66 -5.416 -0.575 20.919 557 HB3 ALA 66 2HB ALA 66 -4.236 0.136 19.800 558 H ARG 67 H ARG 67 -7.929 1.530 19.270 559 HA ARG 67 HA ARG 67 -10.240 0.078 20.344 560 HE ARG 67 HE ARG 67 -14.209 3.261 20.687 561 HB2 ARG 67 1HB ARG 67 -9.760 2.572 20.414 562 HB3 ARG 67 2HB ARG 67 -10.131 2.683 18.701 563 HG2 ARG 67 1HG ARG 67 -12.524 1.906 19.217 564 HG3 ARG 67 2HG ARG 67 -12.097 1.806 20.931 565 HD2 ARG 67 1HD ARG 67 -11.495 4.280 20.922 566 HD3 ARG 67 2HD ARG 67 -11.926 4.375 19.200 567 HH11 ARG 67 2HH1 ARG 67 -12.565 6.297 20.253 568 HH12 ARG 67 1HH1 ARG 67 -14.044 7.262 20.728 569 HH21 ARG 67 2HH2 ARG 67 -15.873 4.386 21.238 570 HH22 ARG 67 1HH2 ARG 67 -15.818 6.206 21.260 571 H LEU 68 H LEU 68 -9.420 0.732 16.908 572 HA LEU 68 HA LEU 68 -11.737 -0.629 15.666 573 HG LEU 68 HG LEU 68 -11.678 -0.847 13.309 574 HB2 LEU 68 1HB LEU 68 -10.195 1.038 14.635 575 HB3 LEU 68 2HB LEU 68 -8.939 -0.170 14.548 576 HD11 LEU 68 1HD1 LEU 68 -10.970 0.373 11.199 577 HD12 LEU 68 2HD1 LEU 68 -11.305 1.454 12.569 578 HD13 LEU 68 3HD1 LEU 68 -9.620 1.092 12.114 579 HD21 LEU 68 3HD2 LEU 68 -9.827 -2.590 13.201 580 HD22 LEU 68 1HD2 LEU 68 -10.292 -2.022 11.591 581 HD23 LEU 68 2HD2 LEU 68 -8.790 -1.432 12.340 582 H LEU 69 H LEU 69 -8.408 -1.819 16.391 583 HA LEU 69 HA LEU 69 -8.730 -4.639 15.780 584 HG LEU 69 HG LEU 69 -6.147 -2.467 16.264 585 HB2 LEU 69 1HB LEU 69 -7.181 -3.569 18.208 586 HB3 LEU 69 2HB LEU 69 -7.016 -5.147 17.477 587 HD11 LEU 69 1HD1 LEU 69 -4.681 -4.896 17.453 588 HD12 LEU 69 2HD1 LEU 69 -3.869 -3.629 16.533 589 HD13 LEU 69 3HD1 LEU 69 -4.675 -3.229 18.051 590 HD21 LEU 69 3HD2 LEU 69 -6.071 -5.254 14.967 591 HD22 LEU 69 1HD2 LEU 69 -6.902 -3.807 14.358 592 HD23 LEU 69 2HD2 LEU 69 -5.132 -3.846 14.393 593 H GLN 70 H GLN 70 -9.474 -3.083 18.935 594 HA GLN 70 HA GLN 70 -10.515 -5.448 20.270 595 HB2 GLN 70 1HB GLN 70 -11.231 -2.462 20.626 596 HB3 GLN 70 2HB GLN 70 -11.801 -3.713 21.714 597 HG2 GLN 70 1HG GLN 70 -9.502 -4.285 22.432 598 HG3 GLN 70 2HG GLN 70 -8.793 -3.187 21.261 599 HE21 GLN 70 1HE2 GLN 70 -8.540 -3.166 24.176 600 HE22 GLN 70 2HE2 GLN 70 -9.079 -1.460 24.625 601 H LYS 71 H LYS 71 -12.319 -3.020 18.293 602 HA LYS 71 HA LYS 71 -14.936 -4.410 18.355 603 HB2 LYS 71 1HB LYS 71 -14.466 -1.948 17.716 604 HB3 LYS 71 2HB LYS 71 -13.812 -2.521 16.195 605 HG2 LYS 71 1HG LYS 71 -16.237 -3.701 15.894 606 HG3 LYS 71 2HG LYS 71 -16.706 -2.710 17.252 607 HD2 LYS 71 1HD LYS 71 -17.355 -1.343 15.445 608 HD3 LYS 71 2HD LYS 71 -15.829 -0.642 15.902 609 HE2 LYS 71 1HE LYS 71 -15.876 -0.732 13.475 610 HE3 LYS 71 2HE LYS 71 -14.675 -1.906 13.973 611 HZ1 LYS 71 3HZ LYS 71 -16.385 -2.674 12.184 612 HZ2 LYS 71 1HZ LYS 71 -16.264 -3.717 13.490 613 HZ3 LYS 71 2HZ LYS 71 -17.534 -2.680 13.363 614 H LEU 72 H LEU 72 -12.281 -4.616 15.902 615 HA LEU 72 HA LEU 72 -13.564 -6.739 14.296 616 HG LEU 72 HG LEU 72 -10.736 -5.332 12.218 617 HB2 LEU 72 1HB LEU 72 -10.751 -5.579 14.566 618 HB3 LEU 72 2HB LEU 72 -10.860 -7.158 13.881 619 HD11 LEU 72 1HD1 LEU 72 -11.611 -7.591 11.577 620 HD12 LEU 72 2HD1 LEU 72 -13.271 -7.065 11.938 621 HD13 LEU 72 3HD1 LEU 72 -12.359 -6.302 10.615 622 HD21 LEU 72 3HD2 LEU 72 -12.707 -3.994 11.579 623 HD22 LEU 72 1HD2 LEU 72 -13.646 -4.626 12.950 624 HD23 LEU 72 2HD2 LEU 72 -12.219 -3.600 13.245 625 H GLY 73 H GLY 73 -11.323 -7.083 17.063 626 HA2 GLY 73 1HA GLY 73 -11.572 -8.896 18.700 627 HA3 GLY 73 2HA GLY 73 -12.459 -9.867 17.557 628 H TYR 74 H TYR 74 -9.219 -8.476 17.043 629 HA TYR 74 HA TYR 74 -8.098 -11.096 16.292 630 HD1 TYR 74 HD2 TYR 74 -6.274 -10.984 14.073 631 HD2 TYR 74 HD1 TYR 74 -8.242 -7.260 14.948 632 HE1 TYR 74 HE2 TYR 74 -6.917 -10.754 11.701 633 HE2 TYR 74 HE1 TYR 74 -8.861 -7.043 12.577 634 HH TYR 74 HH TYR 74 -8.935 -8.049 10.602 635 HB2 TYR 74 1HB TYR 74 -6.784 -8.326 16.676 636 HB3 TYR 74 2HB TYR 74 -5.841 -9.710 16.235 637 H LYS 75 H LYS 75 -5.962 -11.885 17.089 638 HA LYS 75 HA LYS 75 -6.143 -12.318 20.136 639 HB2 LYS 75 1HB LYS 75 -5.296 -14.390 18.038 640 HB3 LYS 75 2HB LYS 75 -5.317 -14.642 19.764 641 HG2 LYS 75 1HG LYS 75 -7.826 -14.099 18.045 642 HG3 LYS 75 2HG LYS 75 -7.256 -15.681 18.505 643 HD2 LYS 75 1HD LYS 75 -8.050 -15.603 20.633 644 HD3 LYS 75 2HD LYS 75 -7.580 -13.968 20.953 645 HE2 LYS 75 1HE LYS 75 -10.034 -14.661 19.166 646 HE3 LYS 75 2HE LYS 75 -10.141 -14.555 20.916 647 HZ1 LYS 75 3HZ LYS 75 -8.789 -12.190 20.087 648 HZ2 LYS 75 1HZ LYS 75 -10.019 -12.325 19.045 649 HZ3 LYS 75 2HZ LYS 75 -10.323 -12.272 20.664 650 H ASP 76 H ASP 76 -3.727 -12.541 17.438 651 HA ASP 76 HA ASP 76 -1.508 -12.080 19.478 652 HB2 ASP 76 1HB ASP 76 -1.538 -13.966 17.541 653 HB3 ASP 76 2HB ASP 76 -1.175 -12.606 16.495 654 H ILE 77 H ILE 77 -1.417 -9.906 19.862 655 HA ILE 77 HA ILE 77 -1.667 -7.916 17.534 656 HB ILE 77 HB ILE 77 -2.646 -7.664 20.407 657 HG12 ILE 77 1HG1 ILE 77 -4.233 -7.520 17.752 658 HG13 ILE 77 2HG1 ILE 77 -4.126 -8.947 18.749 659 HG21 ILE 77 1HG2 ILE 77 -1.713 -5.460 19.821 660 HG22 ILE 77 2HG2 ILE 77 -2.536 -5.454 18.249 661 HG23 ILE 77 3HG2 ILE 77 -3.467 -5.326 19.764 662 HD11 ILE 77 3HD1 ILE 77 -5.311 -7.748 20.662 663 HD12 ILE 77 1HD1 ILE 77 -5.519 -6.323 19.616 664 HD13 ILE 77 2HD1 ILE 77 -6.286 -7.857 19.189 665 H ASN 78 H ASN 78 0.312 -7.381 16.947 666 HA ASN 78 HA ASN 78 2.429 -6.724 19.067 667 HB2 ASN 78 1HB ASN 78 2.726 -8.740 17.553 668 HB3 ASN 78 2HB ASN 78 2.768 -7.680 16.157 669 HD21 ASN 78 1HD2 ASN 78 4.925 -8.202 15.572 670 HD22 ASN 78 2HD2 ASN 78 6.310 -7.849 16.738 671 H VAL 79 H VAL 79 3.036 -4.688 19.268 672 HA VAL 79 HA VAL 79 2.421 -2.602 17.099 673 HB VAL 79 HB VAL 79 2.896 -2.261 20.117 674 HG11 VAL 79 1HG1 VAL 79 2.160 -0.069 18.059 675 HG12 VAL 79 2HG1 VAL 79 2.205 0.135 19.830 676 HG13 VAL 79 3HG1 VAL 79 3.694 -0.198 18.948 677 HG21 VAL 79 3HG2 VAL 79 0.289 -1.906 18.477 678 HG22 VAL 79 1HG2 VAL 79 0.618 -3.218 19.626 679 HG23 VAL 79 2HG2 VAL 79 0.478 -1.556 20.212 680 H ARG 80 H ARG 80 4.074 -1.779 15.953 681 HA ARG 80 HA ARG 80 6.746 -1.252 17.376 682 HE ARG 80 HE ARG 80 8.588 -6.247 16.599 683 HB2 ARG 80 1HB ARG 80 6.464 -2.540 14.595 684 HB3 ARG 80 2HB ARG 80 7.806 -1.493 14.958 685 HG2 ARG 80 1HG ARG 80 8.786 -3.495 15.470 686 HG3 ARG 80 2HG ARG 80 8.294 -2.968 17.062 687 HD2 ARG 80 1HD ARG 80 6.118 -4.503 16.675 688 HD3 ARG 80 2HD ARG 80 6.932 -5.077 15.249 689 HH11 ARG 80 2HH1 ARG 80 6.586 -4.256 18.710 690 HH12 ARG 80 1HH1 ARG 80 7.148 -5.192 20.171 691 HH21 ARG 80 2HH2 ARG 80 9.150 -7.268 18.316 692 HH22 ARG 80 1HH2 ARG 80 8.518 -6.776 19.950 693 H VAL 81 H VAL 81 6.516 0.871 17.745 694 HA VAL 81 HA VAL 81 5.688 2.738 15.473 695 HB VAL 81 HB VAL 81 6.109 3.433 18.415 696 HG11 VAL 81 1HG1 VAL 81 6.558 5.425 16.955 697 HG12 VAL 81 2HG1 VAL 81 5.025 5.189 16.094 698 HG13 VAL 81 3HG1 VAL 81 5.034 5.645 17.815 699 HG21 VAL 81 3HG2 VAL 81 3.621 3.761 18.499 700 HG22 VAL 81 1HG2 VAL 81 3.460 3.206 16.816 701 HG23 VAL 81 2HG2 VAL 81 3.994 2.081 18.081 702 H ASN 82 H ASN 82 7.365 3.110 14.142 703 HA ASN 82 HA ASN 82 10.207 3.509 15.259 704 HB2 ASN 82 1HB ASN 82 9.891 1.866 13.385 705 HB3 ASN 82 2HB ASN 82 9.331 3.144 12.332 706 HD21 ASN 82 1HD2 ASN 82 10.959 3.909 10.996 707 HD22 ASN 82 2HD2 ASN 82 12.738 3.858 11.505 708 H GLY 83 H GLY 83 9.573 5.450 16.277 709 HA2 GLY 83 1HA GLY 83 9.723 7.890 16.417 710 HA3 GLY 83 2HA GLY 83 9.981 7.991 14.689 711 H THR 84 H THR 84 8.189 8.186 13.367 712 HA THR 84 HA THR 84 5.402 8.319 14.649 713 HB THR 84 HB THR 84 4.613 9.902 13.078 714 HG1 THR 84 HG1 THR 84 5.659 10.625 11.423 715 HG21 THR 84 3HG2 THR 84 5.802 11.968 13.653 716 HG22 THR 84 1HG2 THR 84 5.748 10.909 15.089 717 HG23 THR 84 2HG2 THR 84 7.249 11.064 14.149 718 H GLU 85 H GLU 85 7.179 6.299 12.672 719 HA GLU 85 HA GLU 85 4.979 5.424 10.808 720 HB2 GLU 85 1HB GLU 85 7.608 4.083 11.582 721 HB3 GLU 85 2HB GLU 85 6.500 3.461 10.377 722 HG2 GLU 85 1HG GLU 85 6.923 5.473 8.905 723 HG3 GLU 85 2HG GLU 85 8.028 6.133 10.122 724 H VAL 86 H VAL 86 3.221 4.869 12.059 725 HA VAL 86 HA VAL 86 3.473 3.058 14.451 726 HB VAL 86 HB VAL 86 0.982 4.265 13.124 727 HG11 VAL 86 1HG1 VAL 86 0.396 2.287 14.571 728 HG12 VAL 86 2HG1 VAL 86 1.234 3.023 15.954 729 HG13 VAL 86 3HG1 VAL 86 -0.212 3.795 15.256 730 HG21 VAL 86 3HG2 VAL 86 0.961 5.923 14.996 731 HG22 VAL 86 1HG2 VAL 86 2.501 5.285 15.622 732 HG23 VAL 86 2HG2 VAL 86 2.435 6.095 14.038 733 H LYS 87 H LYS 87 4.292 1.118 13.542 734 HA LYS 87 HA LYS 87 2.637 -0.387 11.539 735 HB2 LYS 87 1HB LYS 87 5.191 -0.572 11.652 736 HB3 LYS 87 2HB LYS 87 4.987 -1.522 13.116 737 HG2 LYS 87 1HG LYS 87 3.298 -3.005 11.660 738 HG3 LYS 87 2HG LYS 87 3.954 -2.156 10.271 739 HD2 LYS 87 1HD LYS 87 6.289 -3.073 10.898 740 HD3 LYS 87 2HD LYS 87 5.555 -3.899 12.283 741 HE2 LYS 87 1HE LYS 87 3.922 -5.060 10.640 742 HE3 LYS 87 2HE LYS 87 4.819 -4.347 9.296 743 HZ1 LYS 87 3HZ LYS 87 6.860 -5.603 10.433 744 HZ2 LYS 87 1HZ LYS 87 5.683 -6.488 11.237 745 HZ3 LYS 87 2HZ LYS 87 5.730 -6.496 9.597 746 H ILE 88 H ILE 88 0.716 -0.964 12.285 747 HA ILE 88 HA ILE 88 0.452 -2.565 14.887 748 HB ILE 88 HB ILE 88 -1.705 -1.507 12.994 749 HG12 ILE 88 1HG1 ILE 88 -0.701 0.421 14.014 750 HG13 ILE 88 2HG1 ILE 88 -2.251 0.154 14.760 751 HG21 ILE 88 1HG2 ILE 88 -1.942 -2.860 15.747 752 HG22 ILE 88 2HG2 ILE 88 -3.276 -2.004 14.942 753 HG23 ILE 88 3HG2 ILE 88 -2.586 -3.447 14.191 754 HD11 ILE 88 3HD1 ILE 88 0.464 -0.507 16.087 755 HD12 ILE 88 1HD1 ILE 88 -0.599 0.870 16.439 756 HD13 ILE 88 2HD1 ILE 88 -1.136 -0.776 16.839 757 H GLU 89 H GLU 89 1.155 -4.550 14.607 758 HA GLU 89 HA GLU 89 0.636 -6.134 12.035 759 HB2 GLU 89 1HB GLU 89 2.998 -5.593 12.789 760 HB3 GLU 89 2HB GLU 89 2.697 -6.418 14.299 761 HG2 GLU 89 1HG GLU 89 2.264 -8.612 12.882 762 HG3 GLU 89 2HG GLU 89 2.853 -7.698 11.491 763 H VAL 90 H VAL 90 -1.343 -7.114 12.364 764 HA VAL 90 HA VAL 90 -1.684 -8.756 14.923 765 HB VAL 90 HB VAL 90 -4.011 -8.435 15.019 766 HG11 VAL 90 1HG1 VAL 90 -2.446 -6.646 16.041 767 HG12 VAL 90 2HG1 VAL 90 -2.865 -5.612 14.675 768 HG13 VAL 90 3HG1 VAL 90 -4.138 -6.184 15.784 769 HG21 VAL 90 3HG2 VAL 90 -3.960 -6.536 12.592 770 HG22 VAL 90 1HG2 VAL 90 -4.724 -8.156 12.651 771 HG23 VAL 90 2HG2 VAL 90 -5.348 -6.859 13.655 772 H ARG 91 H ARG 91 -2.325 -10.772 14.944 773 HA ARG 91 HA ARG 91 -3.604 -11.961 12.503 774 HE ARG 91 HE ARG 91 1.235 -12.438 15.584 775 HB2 ARG 91 1HB ARG 91 -2.223 -14.067 12.489 776 HB3 ARG 91 2HB ARG 91 -1.479 -12.652 11.855 777 HG2 ARG 91 1HG ARG 91 -0.812 -13.493 14.719 778 HG3 ARG 91 2HG ARG 91 -0.085 -14.326 13.381 779 HD2 ARG 91 1HD ARG 91 1.094 -12.591 12.517 780 HD3 ARG 91 2HD ARG 91 0.110 -11.320 13.256 781 HH11 ARG 91 2HH1 ARG 91 2.547 -11.168 12.662 782 HH12 ARG 91 1HH1 ARG 91 3.839 -10.254 13.616 783 HH21 ARG 91 2HH2 ARG 91 2.700 -11.685 16.519 784 HH22 ARG 91 1HH2 ARG 91 4.066 -10.723 15.696 785 H VAL 92 H VAL 92 -4.506 -14.075 12.747 786 HA VAL 92 HA VAL 92 -6.472 -13.681 14.946 787 HB VAL 92 HB VAL 92 -6.544 -15.702 12.633 788 HG11 VAL 92 1HG1 VAL 92 -8.864 -14.671 14.416 789 HG12 VAL 92 2HG1 VAL 92 -9.030 -15.754 13.013 790 HG13 VAL 92 3HG1 VAL 92 -8.173 -16.312 14.452 791 HG21 VAL 92 3HG2 VAL 92 -6.506 -13.336 11.714 792 HG22 VAL 92 1HG2 VAL 92 -8.064 -14.111 11.439 793 HG23 VAL 92 2HG2 VAL 92 -7.892 -12.912 12.741 Start of MODEL 3 1 H HIS -1 H HIS -1 8.470 16.616 5.456 2 HA HIS -1 HA HIS -1 7.287 14.614 4.837 3 HD2 HIS -1 HD2 HIS -1 7.777 15.808 8.815 4 HE1 HIS -1 HE1 HIS -1 6.444 12.615 11.107 5 HE2 HIS -1 HE2 HIS -1 6.991 15.080 11.244 6 HB2 HIS -1 1HB HIS -1 6.549 12.999 6.401 7 HB3 HIS -1 2HB HIS -1 8.281 13.131 6.506 8 H MET 0 H MET 0 5.339 15.326 4.253 9 HA MET 0 HA MET 0 3.395 16.355 6.233 10 HB2 MET 0 1HB MET 0 4.804 18.430 5.705 11 HB3 MET 0 2HB MET 0 4.193 18.383 4.057 12 HG2 MET 0 1HG MET 0 1.823 18.699 4.965 13 HG3 MET 0 2HG MET 0 2.459 18.655 6.619 14 HE1 MET 0 3HE MET 0 0.728 21.031 5.830 15 HE2 MET 0 1HE MET 0 1.641 21.045 7.370 16 HE3 MET 0 2HE MET 0 1.692 22.468 6.287 17 H LYS 1 H LYS 1 2.440 14.448 5.472 18 HA LYS 1 HA LYS 1 0.266 14.474 3.998 19 HB2 LYS 1 1HB LYS 1 1.609 14.959 1.777 20 HB3 LYS 1 2HB LYS 1 2.121 13.293 1.824 21 HG2 LYS 1 1HG LYS 1 -0.394 12.624 1.826 22 HG3 LYS 1 2HG LYS 1 -0.804 14.337 1.775 23 HD2 LYS 1 1HD LYS 1 0.559 14.505 -0.442 24 HD3 LYS 1 2HD LYS 1 0.749 12.751 -0.373 25 HE2 LYS 1 1HE LYS 1 -1.895 12.613 -0.235 26 HE3 LYS 1 2HE LYS 1 -1.926 14.341 -0.548 27 HZ1 LYS 1 3HZ LYS 1 -2.075 12.907 -2.637 28 HZ2 LYS 1 1HZ LYS 1 -0.808 13.957 -2.709 29 HZ3 LYS 1 2HZ LYS 1 -0.540 12.375 -2.380 30 H VAL 2 H VAL 2 -0.628 12.768 5.031 31 HA VAL 2 HA VAL 2 1.035 10.606 6.072 32 HB VAL 2 HB VAL 2 -1.978 11.037 6.299 33 HG11 VAL 2 1HG1 VAL 2 -1.493 8.640 6.835 34 HG12 VAL 2 2HG1 VAL 2 -0.185 9.112 7.935 35 HG13 VAL 2 3HG1 VAL 2 -1.875 9.509 8.326 36 HG21 VAL 2 3HG2 VAL 2 -0.632 12.881 7.373 37 HG22 VAL 2 1HG2 VAL 2 -1.398 11.900 8.632 38 HG23 VAL 2 2HG2 VAL 2 0.338 11.697 8.256 39 H ASP 3 H ASP 3 1.747 9.012 4.856 40 HA ASP 3 HA ASP 3 0.159 7.522 2.821 41 HB2 ASP 3 1HB ASP 3 2.706 7.784 2.822 42 HB3 ASP 3 2HB ASP 3 2.792 6.707 4.207 43 H ILE 4 H ILE 4 -1.450 6.191 3.320 44 HA ILE 4 HA ILE 4 -1.343 4.507 5.879 45 HB ILE 4 HB ILE 4 -3.676 4.161 5.881 46 HG12 ILE 4 1HG1 ILE 4 -4.071 6.268 3.681 47 HG13 ILE 4 2HG1 ILE 4 -4.240 4.546 3.420 48 HG21 ILE 4 1HG2 ILE 4 -3.089 7.191 5.824 49 HG22 ILE 4 2HG2 ILE 4 -4.271 6.348 6.862 50 HG23 ILE 4 3HG2 ILE 4 -2.526 6.106 7.093 51 HD11 ILE 4 3HD1 ILE 4 -6.010 6.171 5.359 52 HD12 ILE 4 1HD1 ILE 4 -6.464 5.603 3.748 53 HD13 ILE 4 2HD1 ILE 4 -6.157 4.424 5.048 54 H THR 5 H THR 5 -0.072 2.951 5.243 55 HA THR 5 HA THR 5 -0.698 1.352 2.690 56 HB THR 5 HB THR 5 1.912 1.788 4.201 57 HG1 THR 5 HG1 THR 5 1.691 3.288 2.585 58 HG21 THR 5 3HG2 THR 5 1.942 -0.653 3.610 59 HG22 THR 5 1HG2 THR 5 1.406 -0.273 1.948 60 HG23 THR 5 2HG2 THR 5 2.997 0.273 2.520 61 H ILE 6 H ILE 6 -2.132 -0.114 3.098 62 HA ILE 6 HA ILE 6 -2.129 -1.617 5.772 63 HB ILE 6 HB ILE 6 -4.508 -1.395 3.867 64 HG12 ILE 6 1HG1 ILE 6 -5.293 0.170 6.021 65 HG13 ILE 6 2HG1 ILE 6 -3.601 0.604 5.967 66 HG21 ILE 6 1HG2 ILE 6 -4.255 -2.375 6.774 67 HG22 ILE 6 2HG2 ILE 6 -5.811 -2.085 5.951 68 HG23 ILE 6 3HG2 ILE 6 -4.706 -3.321 5.344 69 HD11 ILE 6 3HD1 ILE 6 -4.994 2.164 4.587 70 HD12 ILE 6 1HD1 ILE 6 -3.893 1.287 3.510 71 HD13 ILE 6 2HD1 ILE 6 -5.597 0.813 3.600 72 H LYS 7 H LYS 7 -1.185 -3.536 5.619 73 HA LYS 7 HA LYS 7 -1.296 -5.145 3.013 74 HB2 LYS 7 1HB LYS 7 0.949 -4.517 3.872 75 HB3 LYS 7 2HB LYS 7 0.633 -5.423 5.324 76 HG2 LYS 7 1HG LYS 7 0.223 -7.489 3.730 77 HG3 LYS 7 2HG LYS 7 0.933 -6.537 2.456 78 HD2 LYS 7 1HD LYS 7 2.405 -6.891 5.162 79 HD3 LYS 7 2HD LYS 7 2.421 -8.195 4.026 80 HE2 LYS 7 1HE LYS 7 3.346 -5.362 3.138 81 HE3 LYS 7 2HE LYS 7 4.419 -6.441 4.048 82 HZ1 LYS 7 3HZ LYS 7 4.725 -6.860 1.644 83 HZ2 LYS 7 1HZ LYS 7 3.979 -8.230 2.262 84 HZ3 LYS 7 2HZ LYS 7 3.165 -7.018 1.360 85 H ILE 8 H ILE 8 -2.961 -6.375 2.908 86 HA ILE 8 HA ILE 8 -4.087 -7.888 5.309 87 HB ILE 8 HB ILE 8 -5.072 -7.679 2.411 88 HG12 ILE 8 1HG1 ILE 8 -6.396 -6.566 4.950 89 HG13 ILE 8 2HG1 ILE 8 -5.324 -5.606 3.952 90 HG21 ILE 8 1HG2 ILE 8 -5.737 -9.921 3.429 91 HG22 ILE 8 2HG2 ILE 8 -6.518 -9.050 4.773 92 HG23 ILE 8 3HG2 ILE 8 -7.135 -8.891 3.118 93 HD11 ILE 8 3HD1 ILE 8 -6.851 -5.888 1.954 94 HD12 ILE 8 1HD1 ILE 8 -8.013 -6.760 2.994 95 HD13 ILE 8 2HD1 ILE 8 -7.623 -5.060 3.327 96 H GLN 9 H GLN 9 -2.706 -9.521 5.838 97 HA GLN 9 HA GLN 9 -1.153 -10.986 3.715 98 HB2 GLN 9 1HB GLN 9 -0.315 -9.949 6.039 99 HB3 GLN 9 2HB GLN 9 -0.873 -11.457 6.716 100 HG2 GLN 9 1HG GLN 9 1.205 -11.120 4.478 101 HG3 GLN 9 2HG GLN 9 1.580 -11.347 6.166 102 HE21 GLN 9 1HE2 GLN 9 2.631 -12.918 4.220 103 HE22 GLN 9 2HE2 GLN 9 1.982 -14.636 4.499 104 H ARG 10 H ARG 10 -2.296 -12.509 2.739 105 HA ARG 10 HA ARG 10 -3.482 -14.776 4.409 106 HE ARG 10 HE ARG 10 -5.511 -14.256 -1.310 107 HB2 ARG 10 1HB ARG 10 -5.262 -15.164 2.937 108 HB3 ARG 10 2HB ARG 10 -5.283 -13.446 3.250 109 HG2 ARG 10 1HG ARG 10 -4.058 -13.175 0.911 110 HG3 ARG 10 2HG ARG 10 -4.369 -14.892 0.677 111 HD2 ARG 10 1HD ARG 10 -6.928 -14.259 1.216 112 HD3 ARG 10 2HD ARG 10 -6.391 -12.580 1.011 113 HH11 ARG 10 2HH1 ARG 10 -8.366 -12.738 -0.046 114 HH12 ARG 10 1HH1 ARG 10 -9.116 -12.608 -1.712 115 HH21 ARG 10 2HH2 ARG 10 -6.334 -14.109 -3.116 116 HH22 ARG 10 1HH2 ARG 10 -7.992 -13.368 -3.397 117 H ASP 11 H ASP 11 -3.194 -16.917 3.530 118 HA ASP 11 HA ASP 11 -0.509 -17.422 2.625 119 HB2 ASP 11 1HB ASP 11 -2.951 -19.306 2.607 120 HB3 ASP 11 2HB ASP 11 -1.305 -19.822 2.280 121 H GLY 12 H GLY 12 0.368 -17.142 0.726 122 HA2 GLY 12 1HA GLY 12 0.561 -17.487 -1.767 123 HA3 GLY 12 2HA GLY 12 -1.174 -17.531 -1.914 124 H GLN 13 H GLN 13 -1.369 -14.943 -0.201 125 HA GLN 13 HA GLN 13 -0.289 -12.951 -2.234 126 HB2 GLN 13 1HB GLN 13 -3.291 -12.954 -1.529 127 HB3 GLN 13 2HB GLN 13 -2.416 -11.724 -2.400 128 HG2 GLN 13 1HG GLN 13 -3.379 -12.774 -4.183 129 HG3 GLN 13 2HG GLN 13 -1.818 -13.563 -4.193 130 HE21 GLN 13 1HE2 GLN 13 -1.944 -15.787 -4.157 131 HE22 GLN 13 2HE2 GLN 13 -3.457 -16.728 -3.707 132 H GLU 14 H GLU 14 0.867 -11.665 -0.973 133 HA GLU 14 HA GLU 14 -0.286 -10.484 1.589 134 HB2 GLU 14 1HB GLU 14 2.351 -9.665 0.247 135 HB3 GLU 14 2HB GLU 14 1.694 -9.138 1.778 136 HG2 GLU 14 1HG GLU 14 1.778 -11.820 2.347 137 HG3 GLU 14 2HG GLU 14 2.982 -11.823 1.082 138 H ILE 15 H ILE 15 -1.891 -9.079 1.169 139 HA ILE 15 HA ILE 15 -1.868 -7.408 -1.395 140 HB ILE 15 HB ILE 15 -4.108 -8.115 0.545 141 HG12 ILE 15 1HG1 ILE 15 -3.916 -9.096 -2.365 142 HG13 ILE 15 2HG1 ILE 15 -3.094 -9.968 -1.094 143 HG21 ILE 15 1HG2 ILE 15 -4.631 -5.922 -0.564 144 HG22 ILE 15 2HG2 ILE 15 -4.332 -6.631 -2.166 145 HG23 ILE 15 3HG2 ILE 15 -5.703 -7.182 -1.173 146 HD11 ILE 15 3HD1 ILE 15 -6.140 -9.501 -1.140 147 HD12 ILE 15 1HD1 ILE 15 -5.271 -11.018 -1.475 148 HD13 ILE 15 2HD1 ILE 15 -5.243 -10.325 0.164 149 H GLU 16 H GLU 16 -0.107 -6.038 -0.433 150 HA GLU 16 HA GLU 16 -0.954 -3.915 1.435 151 HB2 GLU 16 1HB GLU 16 1.043 -2.647 0.745 152 HB3 GLU 16 2HB GLU 16 1.265 -4.158 1.560 153 HG2 GLU 16 1HG GLU 16 1.374 -4.409 -1.462 154 HG3 GLU 16 2HG GLU 16 2.584 -3.338 -0.781 155 H ILE 17 H ILE 17 -2.446 -2.672 1.086 156 HA ILE 17 HA ILE 17 -2.801 -1.203 -1.603 157 HB ILE 17 HB ILE 17 -5.086 -0.555 -0.855 158 HG12 ILE 17 1HG1 ILE 17 -4.935 -2.805 1.244 159 HG13 ILE 17 2HG1 ILE 17 -4.749 -1.114 1.655 160 HG21 ILE 17 1HG2 ILE 17 -6.122 -2.721 -1.568 161 HG22 ILE 17 2HG2 ILE 17 -4.684 -2.355 -2.531 162 HG23 ILE 17 3HG2 ILE 17 -4.596 -3.575 -1.243 163 HD11 ILE 17 3HD1 ILE 17 -7.299 -2.270 0.348 164 HD12 ILE 17 1HD1 ILE 17 -7.090 -1.834 2.054 165 HD13 ILE 17 2HD1 ILE 17 -7.046 -0.565 0.805 166 H ASP 18 H ASP 18 -1.852 0.657 -1.679 167 HA ASP 18 HA ASP 18 -1.221 2.192 0.817 168 HB2 ASP 18 1HB ASP 18 0.795 2.758 -0.276 169 HB3 ASP 18 2HB ASP 18 0.558 1.039 -0.281 170 H ILE 19 H ILE 19 -2.608 3.718 1.223 171 HA ILE 19 HA ILE 19 -3.574 5.574 -1.016 172 HB ILE 19 HB ILE 19 -5.124 5.619 1.575 173 HG12 ILE 19 1HG1 ILE 19 -5.399 3.139 -0.206 174 HG13 ILE 19 2HG1 ILE 19 -4.871 3.182 1.458 175 HG21 ILE 19 1HG2 ILE 19 -7.025 6.030 0.074 176 HG22 ILE 19 2HG2 ILE 19 -5.678 7.054 -0.430 177 HG23 ILE 19 3HG2 ILE 19 -6.065 5.578 -1.354 178 HD11 ILE 19 3HD1 ILE 19 -7.163 2.405 1.446 179 HD12 ILE 19 1HD1 ILE 19 -7.168 4.017 2.195 180 HD13 ILE 19 2HD1 ILE 19 -7.733 3.805 0.516 181 H ARG 20 H ARG 20 -3.196 7.819 -0.837 182 HA ARG 20 HA ARG 20 -1.592 8.746 1.636 183 HE ARG 20 HE ARG 20 1.854 6.611 -0.220 184 HB2 ARG 20 1HB ARG 20 -1.402 9.762 -1.253 185 HB3 ARG 20 2HB ARG 20 -0.680 10.540 0.142 186 HG2 ARG 20 1HG ARG 20 1.171 9.333 -0.486 187 HG3 ARG 20 2HG ARG 20 0.471 8.229 0.674 188 HD2 ARG 20 1HD ARG 20 -0.708 7.066 -1.408 189 HD3 ARG 20 2HD ARG 20 0.370 8.062 -2.418 190 HH11 ARG 20 2HH1 ARG 20 0.155 5.749 -3.140 191 HH12 ARG 20 1HH1 ARG 20 1.060 4.139 -3.093 192 HH21 ARG 20 2HH2 ARG 20 2.684 4.916 -0.294 193 HH22 ARG 20 1HH2 ARG 20 2.318 3.717 -1.685 194 H VAL 21 H VAL 21 -2.966 9.684 3.030 195 HA VAL 21 HA VAL 21 -5.356 11.232 1.877 196 HB VAL 21 HB VAL 21 -6.643 10.544 3.920 197 HG11 VAL 21 1HG1 VAL 21 -7.307 8.348 3.010 198 HG12 VAL 21 2HG1 VAL 21 -7.024 9.528 1.722 199 HG13 VAL 21 3HG1 VAL 21 -5.811 8.267 2.037 200 HG21 VAL 21 3HG2 VAL 21 -4.811 9.849 5.472 201 HG22 VAL 21 1HG2 VAL 21 -6.031 8.577 5.267 202 HG23 VAL 21 2HG2 VAL 21 -4.457 8.449 4.443 203 H SER 22 H SER 22 -6.333 12.853 2.914 204 HA SER 22 HA SER 22 -4.652 14.660 4.728 205 HG SER 22 HG SER 22 -5.492 15.125 1.877 206 HB2 SER 22 1HB SER 22 -7.291 15.150 3.196 207 HB3 SER 22 2HB SER 22 -6.492 16.328 4.239 208 H THR 23 H THR 23 -4.816 13.724 6.636 209 HA THR 23 HA THR 23 -6.930 12.084 7.531 210 HB THR 23 HB THR 23 -5.775 11.868 9.729 211 HG1 THR 23 HG1 THR 23 -4.997 14.119 9.553 212 HG21 THR 23 3HG2 THR 23 -5.068 10.406 7.863 213 HG22 THR 23 1HG2 THR 23 -3.923 11.651 7.301 214 HG23 THR 23 2HG2 THR 23 -3.687 10.869 8.886 215 H GLY 24 H GLY 24 -8.776 13.621 7.389 216 HA2 GLY 24 1HA GLY 24 -9.654 13.506 10.344 217 HA3 GLY 24 2HA GLY 24 -10.076 14.958 9.441 218 H LYS 25 H LYS 25 -11.545 14.652 7.620 219 HA LYS 25 HA LYS 25 -13.554 12.426 7.878 220 HB2 LYS 25 1HB LYS 25 -13.294 14.660 5.780 221 HB3 LYS 25 2HB LYS 25 -14.592 13.493 5.799 222 HG2 LYS 25 1HG LYS 25 -14.075 15.535 8.059 223 HG3 LYS 25 2HG LYS 25 -15.205 15.715 6.747 224 HD2 LYS 25 1HD LYS 25 -16.770 14.850 8.131 225 HD3 LYS 25 2HD LYS 25 -16.132 13.284 7.673 226 HE2 LYS 25 1HE LYS 25 -14.543 13.407 9.744 227 HE3 LYS 25 2HE LYS 25 -15.310 14.936 10.188 228 HZ1 LYS 25 3HZ LYS 25 -17.530 13.622 10.248 229 HZ2 LYS 25 1HZ LYS 25 -16.675 12.232 9.900 230 HZ3 LYS 25 2HZ LYS 25 -16.414 12.926 11.281 231 H GLU 26 H GLU 26 -10.687 12.814 5.836 232 HA GLU 26 HA GLU 26 -11.403 10.512 4.017 233 HB2 GLU 26 1HB GLU 26 -8.709 11.919 4.424 234 HB3 GLU 26 2HB GLU 26 -8.980 10.587 3.330 235 HG2 GLU 26 1HG GLU 26 -10.566 11.918 1.944 236 HG3 GLU 26 2HG GLU 26 -10.447 13.281 3.065 237 H LEU 27 H LEU 27 -9.248 10.965 6.849 238 HA LEU 27 HA LEU 27 -8.509 8.185 7.363 239 HG LEU 27 HG LEU 27 -8.842 8.268 10.518 240 HB2 LEU 27 1HB LEU 27 -7.501 10.154 8.495 241 HB3 LEU 27 2HB LEU 27 -9.037 10.541 9.250 242 HD11 LEU 27 1HD1 LEU 27 -5.893 8.457 9.567 243 HD12 LEU 27 2HD1 LEU 27 -6.539 7.328 10.779 244 HD13 LEU 27 3HD1 LEU 27 -7.051 7.191 9.090 245 HD21 LEU 27 3HD2 LEU 27 -8.442 10.533 11.541 246 HD22 LEU 27 1HD2 LEU 27 -7.395 9.295 12.256 247 HD23 LEU 27 2HD2 LEU 27 -6.729 10.448 11.085 248 H GLU 28 H GLU 28 -11.395 9.940 8.701 249 HA GLU 28 HA GLU 28 -12.640 7.658 9.971 250 HB2 GLU 28 1HB GLU 28 -13.204 10.123 10.257 251 HB3 GLU 28 2HB GLU 28 -13.996 10.101 8.686 252 HG2 GLU 28 1HG GLU 28 -15.630 8.294 9.647 253 HG3 GLU 28 2HG GLU 28 -14.866 8.530 11.222 254 H ARG 29 H ARG 29 -13.213 8.769 6.607 255 HA ARG 29 HA ARG 29 -15.178 6.599 5.975 256 HE ARG 29 HE ARG 29 -14.115 10.968 4.408 257 HB2 ARG 29 1HB ARG 29 -13.619 8.534 4.168 258 HB3 ARG 29 2HB ARG 29 -14.783 7.382 3.550 259 HG2 ARG 29 1HG ARG 29 -16.650 8.397 4.801 260 HG3 ARG 29 2HG ARG 29 -15.596 9.489 5.666 261 HD2 ARG 29 1HD ARG 29 -15.979 9.518 2.591 262 HD3 ARG 29 2HD ARG 29 -16.867 10.554 3.730 263 HH11 ARG 29 2HH1 ARG 29 -16.046 11.498 1.551 264 HH12 ARG 29 1HH1 ARG 29 -14.896 12.774 0.913 265 HH21 ARG 29 2HH2 ARG 29 -12.820 12.389 3.629 266 HH22 ARG 29 1HH2 ARG 29 -13.149 13.238 2.051 267 H ALA 30 H ALA 30 -11.670 6.951 5.265 268 HA ALA 30 HA ALA 30 -11.388 4.260 4.028 269 HB1 ALA 30 3HB ALA 30 -9.316 6.145 5.326 270 HB2 ALA 30 1HB ALA 30 -8.928 4.661 4.420 271 HB3 ALA 30 2HB ALA 30 -9.722 6.019 3.598 272 H LEU 31 H LEU 31 -10.812 5.377 7.454 273 HA LEU 31 HA LEU 31 -10.288 2.762 8.606 274 HG LEU 31 HG LEU 31 -11.073 2.704 11.148 275 HB2 LEU 31 1HB LEU 31 -10.052 5.130 9.658 276 HB3 LEU 31 2HB LEU 31 -11.772 5.115 9.909 277 HD11 LEU 31 1HD1 LEU 31 -8.945 3.041 12.423 278 HD12 LEU 31 2HD1 LEU 31 -8.613 3.034 10.676 279 HD13 LEU 31 3HD1 LEU 31 -8.635 4.570 11.575 280 HD21 LEU 31 3HD2 LEU 31 -12.415 4.485 12.240 281 HD22 LEU 31 1HD2 LEU 31 -11.122 3.942 13.324 282 HD23 LEU 31 2HD2 LEU 31 -10.969 5.496 12.466 283 H GLN 32 H GLN 32 -13.528 4.332 8.217 284 HA GLN 32 HA GLN 32 -15.129 2.043 9.099 285 HB2 GLN 32 1HB GLN 32 -15.839 4.522 8.754 286 HB3 GLN 32 2HB GLN 32 -15.821 4.225 7.030 287 HG2 GLN 32 1HG GLN 32 -17.529 2.200 7.743 288 HG3 GLN 32 2HG GLN 32 -17.739 3.144 9.190 289 HE21 GLN 32 1HE2 GLN 32 -18.666 5.341 8.886 290 HE22 GLN 32 2HE2 GLN 32 -19.695 5.615 7.381 291 H GLU 33 H GLU 33 -14.082 2.877 5.720 292 HA GLU 33 HA GLU 33 -15.316 0.421 4.599 293 HB2 GLU 33 1HB GLU 33 -14.924 2.701 3.408 294 HB3 GLU 33 2HB GLU 33 -13.254 2.211 3.218 295 HG2 GLU 33 1HG GLU 33 -14.490 1.642 1.164 296 HG3 GLU 33 2HG GLU 33 -14.081 0.117 1.938 297 H LEU 34 H LEU 34 -11.965 1.116 5.539 298 HA LEU 34 HA LEU 34 -10.866 -1.550 4.880 299 HG LEU 34 HG LEU 34 -9.765 1.272 4.606 300 HB2 LEU 34 1HB LEU 34 -10.085 0.457 7.066 301 HB3 LEU 34 2HB LEU 34 -9.127 -0.949 6.654 302 HD11 LEU 34 1HD1 LEU 34 -7.289 0.989 6.417 303 HD12 LEU 34 2HD1 LEU 34 -7.484 2.165 5.086 304 HD13 LEU 34 3HD1 LEU 34 -8.526 2.254 6.516 305 HD21 LEU 34 3HD2 LEU 34 -7.910 0.362 3.294 306 HD22 LEU 34 1HD2 LEU 34 -7.606 -0.916 4.504 307 HD23 LEU 34 2HD2 LEU 34 -9.117 -0.899 3.558 308 H GLU 35 H GLU 35 -12.447 -0.386 7.922 309 HA GLU 35 HA GLU 35 -12.683 -2.944 9.268 310 HB2 GLU 35 1HB GLU 35 -13.235 -0.673 10.190 311 HB3 GLU 35 2HB GLU 35 -14.681 -0.613 9.210 312 HG2 GLU 35 1HG GLU 35 -15.572 -2.679 10.450 313 HG3 GLU 35 2HG GLU 35 -14.115 -2.668 11.450 314 H LYS 36 H LYS 36 -15.032 -1.564 6.888 315 HA LYS 36 HA LYS 36 -16.716 -3.953 6.616 316 HB2 LYS 36 1HB LYS 36 -16.127 -1.699 4.606 317 HB3 LYS 36 2HB LYS 36 -17.212 -3.000 4.228 318 HG2 LYS 36 1HG LYS 36 -18.754 -2.448 6.055 319 HG3 LYS 36 2HG LYS 36 -17.681 -1.223 6.696 320 HD2 LYS 36 1HD LYS 36 -18.401 -0.882 3.741 321 HD3 LYS 36 2HD LYS 36 -19.768 -0.780 4.830 322 HE2 LYS 36 1HE LYS 36 -18.840 1.086 6.087 323 HE3 LYS 36 2HE LYS 36 -17.233 0.860 5.426 324 HZ1 LYS 36 3HZ LYS 36 -17.946 1.614 3.218 325 HZ2 LYS 36 1HZ LYS 36 -19.539 1.648 3.665 326 HZ3 LYS 36 2HZ LYS 36 -18.483 2.723 4.344 327 H ALA 37 H ALA 37 -13.933 -3.069 4.468 328 HA ALA 37 HA ALA 37 -13.878 -5.602 3.005 329 HB1 ALA 37 3HB ALA 37 -12.753 -3.507 2.228 330 HB2 ALA 37 1HB ALA 37 -11.581 -3.611 3.564 331 HB3 ALA 37 2HB ALA 37 -11.597 -4.854 2.292 332 H LEU 38 H LEU 38 -12.038 -4.778 6.012 333 HA LEU 38 HA LEU 38 -10.788 -7.453 6.246 334 HG LEU 38 HG LEU 38 -9.521 -4.726 6.592 335 HB2 LEU 38 1HB LEU 38 -11.352 -5.279 8.347 336 HB3 LEU 38 2HB LEU 38 -10.473 -6.744 8.720 337 HD11 LEU 38 1HD1 LEU 38 -8.644 -5.026 9.542 338 HD12 LEU 38 2HD1 LEU 38 -7.884 -3.965 8.328 339 HD13 LEU 38 3HD1 LEU 38 -9.553 -3.664 8.842 340 HD21 LEU 38 3HD2 LEU 38 -7.297 -5.940 6.931 341 HD22 LEU 38 1HD2 LEU 38 -8.149 -7.165 7.901 342 HD23 LEU 38 2HD2 LEU 38 -8.539 -6.955 6.178 343 H ALA 39 H ALA 39 -13.772 -6.139 7.839 344 HA ALA 39 HA ALA 39 -14.471 -8.613 9.248 345 HB1 ALA 39 3HB ALA 39 -15.433 -6.341 9.805 346 HB2 ALA 39 1HB ALA 39 -16.302 -6.311 8.263 347 HB3 ALA 39 2HB ALA 39 -16.723 -7.516 9.505 348 H ARG 40 H ARG 40 -15.591 -7.483 6.010 349 HA ARG 40 HA ARG 40 -17.011 -10.129 5.530 350 HE ARG 40 HE ARG 40 -20.425 -10.246 2.236 351 HB2 ARG 40 1HB ARG 40 -17.677 -7.586 4.799 352 HB3 ARG 40 2HB ARG 40 -16.667 -7.925 3.428 353 HG2 ARG 40 1HG ARG 40 -19.137 -9.567 4.358 354 HG3 ARG 40 2HG ARG 40 -19.169 -8.268 3.174 355 HD2 ARG 40 1HD ARG 40 -17.602 -9.597 1.667 356 HD3 ARG 40 2HD ARG 40 -17.668 -10.945 2.824 357 HH11 ARG 40 2HH1 ARG 40 -17.712 -11.554 0.515 358 HH12 ARG 40 1HH1 ARG 40 -18.783 -12.451 -0.670 359 HH21 ARG 40 2HH2 ARG 40 -21.625 -11.271 0.892 360 HH22 ARG 40 1HH2 ARG 40 -20.907 -12.282 -0.440 361 H ALA 41 H ALA 41 -14.413 -10.591 6.057 362 HA ALA 41 HA ALA 41 -13.372 -12.063 3.673 363 HB1 ALA 41 3HB ALA 41 -12.556 -9.744 3.110 364 HB2 ALA 41 1HB ALA 41 -11.703 -9.654 4.664 365 HB3 ALA 41 2HB ALA 41 -11.196 -10.841 3.436 366 H GLY 42 H GLY 42 -12.062 -10.744 6.807 367 HA2 GLY 42 1HA GLY 42 -11.092 -11.937 8.666 368 HA3 GLY 42 2HA GLY 42 -11.820 -13.395 8.042 369 H ALA 43 H ALA 43 -9.019 -11.263 7.398 370 HA ALA 43 HA ALA 43 -7.420 -13.582 6.290 371 HB1 ALA 43 3HB ALA 43 -5.745 -11.804 5.717 372 HB2 ALA 43 1HB ALA 43 -7.371 -11.390 5.129 373 HB3 ALA 43 2HB ALA 43 -6.715 -10.593 6.585 374 H ARG 44 H ARG 44 -5.610 -14.460 7.159 375 HA ARG 44 HA ARG 44 -5.549 -14.768 9.990 376 HE ARG 44 HE ARG 44 -1.540 -17.388 9.337 377 HB2 ARG 44 1HB ARG 44 -3.782 -16.338 9.745 378 HB3 ARG 44 2HB ARG 44 -4.952 -16.543 8.472 379 HG2 ARG 44 1HG ARG 44 -3.356 -15.343 6.850 380 HG3 ARG 44 2HG ARG 44 -2.155 -15.227 8.109 381 HD2 ARG 44 1HD ARG 44 -3.351 -17.882 7.042 382 HD3 ARG 44 2HD ARG 44 -1.841 -17.165 6.479 383 HH11 ARG 44 2HH1 ARG 44 -1.819 -19.597 6.574 384 HH12 ARG 44 1HH1 ARG 44 -0.938 -20.888 7.511 385 HH21 ARG 44 2HH2 ARG 44 -0.545 -18.930 10.297 386 HH22 ARG 44 1HH2 ARG 44 -0.285 -20.538 9.479 387 H ASN 45 H ASN 45 -3.133 -12.824 8.212 388 HA ASN 45 HA ASN 45 -2.530 -11.481 10.869 389 HB2 ASN 45 1HB ASN 45 -0.592 -12.985 10.295 390 HB3 ASN 45 2HB ASN 45 -0.359 -12.137 8.790 391 HD21 ASN 45 1HD2 ASN 45 -0.614 -11.327 12.285 392 HD22 ASN 45 2HD2 ASN 45 0.919 -10.321 12.251 393 H VAL 46 H VAL 46 -2.727 -9.322 10.807 394 HA VAL 46 HA VAL 46 -3.148 -7.917 8.089 395 HB VAL 46 HB VAL 46 -5.006 -8.064 10.512 396 HG11 VAL 46 1HG1 VAL 46 -5.230 -5.954 8.274 397 HG12 VAL 46 2HG1 VAL 46 -6.488 -6.346 9.479 398 HG13 VAL 46 3HG1 VAL 46 -4.952 -5.664 10.013 399 HG21 VAL 46 3HG2 VAL 46 -6.710 -8.693 8.806 400 HG22 VAL 46 1HG2 VAL 46 -5.536 -8.471 7.485 401 HG23 VAL 46 2HG2 VAL 46 -5.328 -9.776 8.671 402 H GLN 47 H GLN 47 -1.995 -6.200 7.801 403 HA GLN 47 HA GLN 47 -0.514 -4.911 10.174 404 HB2 GLN 47 1HB GLN 47 0.378 -5.612 7.334 405 HB3 GLN 47 2HB GLN 47 1.339 -4.625 8.417 406 HG2 GLN 47 1HG GLN 47 1.471 -6.516 10.041 407 HG3 GLN 47 2HG GLN 47 0.485 -7.532 9.011 408 HE21 GLN 47 1HE2 GLN 47 2.030 -9.092 8.611 409 HE22 GLN 47 2HE2 GLN 47 3.593 -8.722 7.707 410 H ILE 48 H ILE 48 -1.511 -3.006 10.512 411 HA ILE 48 HA ILE 48 -2.167 -1.141 8.160 412 HB ILE 48 HB ILE 48 -2.973 -1.005 11.115 413 HG12 ILE 48 1HG1 ILE 48 -5.330 -1.016 10.282 414 HG13 ILE 48 2HG1 ILE 48 -4.800 -1.194 8.626 415 HG21 ILE 48 1HG2 ILE 48 -2.608 1.336 10.341 416 HG22 ILE 48 2HG2 ILE 48 -3.574 1.051 8.876 417 HG23 ILE 48 3HG2 ILE 48 -4.341 1.057 10.484 418 HD11 ILE 48 3HD1 ILE 48 -4.034 -3.531 9.105 419 HD12 ILE 48 1HD1 ILE 48 -4.329 -3.308 10.850 420 HD13 ILE 48 2HD1 ILE 48 -5.688 -3.312 9.697 421 H THR 49 H THR 49 -0.506 0.156 7.519 422 HA THR 49 HA THR 49 1.466 1.259 9.604 423 HB THR 49 HB THR 49 1.940 1.337 6.580 424 HG1 THR 49 HG1 THR 49 1.715 -0.775 7.300 425 HG21 THR 49 3HG2 THR 49 3.876 1.533 8.999 426 HG22 THR 49 1HG2 THR 49 4.351 1.564 7.286 427 HG23 THR 49 2HG2 THR 49 3.385 2.886 7.962 428 H ILE 50 H ILE 50 0.758 3.200 10.292 429 HA ILE 50 HA ILE 50 -0.352 5.212 8.228 430 HB ILE 50 HB ILE 50 -0.565 5.490 11.255 431 HG12 ILE 50 1HG1 ILE 50 -1.878 3.528 10.815 432 HG13 ILE 50 2HG1 ILE 50 -2.903 4.883 11.232 433 HG21 ILE 50 1HG2 ILE 50 -0.763 7.651 10.087 434 HG22 ILE 50 2HG2 ILE 50 -1.963 7.003 8.956 435 HG23 ILE 50 3HG2 ILE 50 -2.372 7.181 10.657 436 HD11 ILE 50 3HD1 ILE 50 -3.948 3.508 9.448 437 HD12 ILE 50 1HD1 ILE 50 -3.634 5.141 8.855 438 HD13 ILE 50 2HD1 ILE 50 -2.564 3.791 8.362 439 H SER 51 H SER 51 1.361 6.315 7.387 440 HA SER 51 HA SER 51 3.752 7.059 9.046 441 HG SER 51 HG SER 51 5.701 7.000 6.886 442 HB2 SER 51 1HB SER 51 3.724 6.324 6.534 443 HB3 SER 51 2HB SER 51 3.195 7.967 6.184 444 H ALA 52 H ALA 52 2.831 8.254 10.692 445 HA ALA 52 HA ALA 52 1.041 10.494 10.164 446 HB1 ALA 52 3HB ALA 52 0.906 10.618 12.644 447 HB2 ALA 52 1HB ALA 52 0.904 8.917 12.133 448 HB3 ALA 52 2HB ALA 52 2.372 9.636 12.822 449 H GLU 53 H GLU 53 1.140 12.644 10.789 450 HA GLU 53 HA GLU 53 3.575 14.070 10.000 451 HB2 GLU 53 1HB GLU 53 1.124 15.301 11.356 452 HB3 GLU 53 2HB GLU 53 2.300 16.135 10.375 453 HG2 GLU 53 1HG GLU 53 0.353 14.006 9.256 454 HG3 GLU 53 2HG GLU 53 0.005 15.713 9.319 455 H ASN 54 H ASN 54 2.135 13.604 13.230 456 HA ASN 54 HA ASN 54 4.677 14.668 14.555 457 HB2 ASN 54 1HB ASN 54 1.813 15.626 15.281 458 HB3 ASN 54 2HB ASN 54 3.216 15.906 16.280 459 HD21 ASN 54 1HD2 ASN 54 1.501 17.096 13.585 460 HD22 ASN 54 2HD2 ASN 54 2.720 18.439 13.220 461 H ASP 55 H ASP 55 4.922 14.030 16.803 462 HA ASP 55 HA ASP 55 4.270 11.243 17.369 463 HB2 ASP 55 1HB ASP 55 5.457 11.610 19.483 464 HB3 ASP 55 2HB ASP 55 6.359 12.214 18.115 465 H GLU 56 H GLU 56 2.887 14.196 18.919 466 HA GLU 56 HA GLU 56 0.884 12.901 20.526 467 HB2 GLU 56 1HB GLU 56 0.615 15.594 19.049 468 HB3 GLU 56 2HB GLU 56 -0.449 15.037 20.327 469 HG2 GLU 56 1HG GLU 56 1.484 15.029 21.977 470 HG3 GLU 56 2HG GLU 56 2.569 15.604 20.717 471 H GLN 57 H GLN 57 0.540 13.767 17.111 472 HA GLN 57 HA GLN 57 -2.156 12.576 16.647 473 HB2 GLN 57 1HB GLN 57 0.163 13.117 14.677 474 HB3 GLN 57 2HB GLN 57 -1.419 12.542 14.197 475 HG2 GLN 57 1HG GLN 57 -2.533 14.634 14.985 476 HG3 GLN 57 2HG GLN 57 -1.037 15.220 15.675 477 HE21 GLN 57 1HE2 GLN 57 -2.619 14.554 12.575 478 HE22 GLN 57 2HE2 GLN 57 -1.466 15.662 11.656 479 H ALA 58 H ALA 58 1.163 11.214 16.276 480 HA ALA 58 HA ALA 58 0.379 8.503 15.561 481 HB1 ALA 58 3HB ALA 58 2.672 7.885 16.286 482 HB2 ALA 58 1HB ALA 58 2.713 9.412 15.385 483 HB3 ALA 58 2HB ALA 58 2.852 9.414 17.160 484 H LYS 59 H LYS 59 0.600 9.869 18.902 485 HA LYS 59 HA LYS 59 -0.250 7.361 20.223 486 HB2 LYS 59 1HB LYS 59 0.709 9.345 21.474 487 HB3 LYS 59 2HB LYS 59 -0.787 10.201 21.253 488 HG2 LYS 59 1HG LYS 59 -1.410 7.504 22.389 489 HG3 LYS 59 2HG LYS 59 -0.045 8.138 23.243 490 HD2 LYS 59 1HD LYS 59 -2.115 8.626 24.441 491 HD3 LYS 59 2HD LYS 59 -1.278 10.093 24.014 492 HE2 LYS 59 1HE LYS 59 -3.667 10.475 23.761 493 HE3 LYS 59 2HE LYS 59 -2.929 10.584 22.187 494 HZ1 LYS 59 3HZ LYS 59 -3.783 8.250 21.725 495 HZ2 LYS 59 1HZ LYS 59 -4.631 8.195 23.141 496 HZ3 LYS 59 2HZ LYS 59 -4.962 9.376 22.017 497 H GLU 60 H GLU 60 -2.296 10.066 18.996 498 HA GLU 60 HA GLU 60 -4.891 8.786 19.625 499 HB2 GLU 60 1HB GLU 60 -4.116 10.920 17.553 500 HB3 GLU 60 2HB GLU 60 -5.762 10.357 17.754 501 HG2 GLU 60 1HG GLU 60 -4.147 11.716 20.013 502 HG3 GLU 60 2HG GLU 60 -5.328 12.505 18.979 503 H LEU 61 H LEU 61 -2.982 8.687 16.619 504 HA LEU 61 HA LEU 61 -4.663 6.702 15.239 505 HG LEU 61 HG LEU 61 -3.548 9.209 14.283 506 HB2 LEU 61 1HB LEU 61 -1.700 7.427 14.957 507 HB3 LEU 61 2HB LEU 61 -2.505 6.331 13.860 508 HD11 LEU 61 1HD1 LEU 61 -2.264 9.746 12.129 509 HD12 LEU 61 2HD1 LEU 61 -1.272 9.499 13.579 510 HD13 LEU 61 3HD1 LEU 61 -1.369 8.219 12.363 511 HD21 LEU 61 3HD2 LEU 61 -4.539 8.814 11.960 512 HD22 LEU 61 1HD2 LEU 61 -4.048 7.107 12.068 513 HD23 LEU 61 2HD2 LEU 61 -5.227 7.770 13.211 514 H LEU 62 H LEU 62 -1.692 6.078 17.231 515 HA LEU 62 HA LEU 62 -1.771 3.177 17.239 516 HG LEU 62 HG LEU 62 -1.077 3.134 20.579 517 HB2 LEU 62 1HB LEU 62 0.098 4.518 18.084 518 HB3 LEU 62 2HB LEU 62 -0.901 5.257 19.317 519 HD11 LEU 62 1HD1 LEU 62 -0.878 1.458 18.707 520 HD12 LEU 62 2HD1 LEU 62 0.822 1.943 18.457 521 HD13 LEU 62 3HD1 LEU 62 0.316 1.151 19.972 522 HD21 LEU 62 3HD2 LEU 62 1.329 3.042 21.313 523 HD22 LEU 62 1HD2 LEU 62 1.826 3.936 19.855 524 HD23 LEU 62 2HD2 LEU 62 0.793 4.716 21.078 525 H GLU 63 H GLU 63 -3.427 5.322 19.576 526 HA GLU 63 HA GLU 63 -4.923 3.208 20.957 527 HB2 GLU 63 1HB GLU 63 -4.372 5.614 21.725 528 HB3 GLU 63 2HB GLU 63 -5.641 6.196 20.658 529 HG2 GLU 63 1HG GLU 63 -7.316 4.768 22.035 530 HG3 GLU 63 2HG GLU 63 -5.988 4.289 23.086 531 H LEU 64 H LEU 64 -6.001 5.368 18.268 532 HA LEU 64 HA LEU 64 -8.603 4.158 17.809 533 HG LEU 64 HG LEU 64 -8.740 4.608 14.647 534 HB2 LEU 64 1HB LEU 64 -7.769 6.381 16.973 535 HB3 LEU 64 2HB LEU 64 -6.703 5.545 15.867 536 HD11 LEU 64 1HD1 LEU 64 -10.462 4.716 16.476 537 HD12 LEU 64 2HD1 LEU 64 -10.325 6.492 16.538 538 HD13 LEU 64 3HD1 LEU 64 -10.986 5.691 15.095 539 HD21 LEU 64 3HD2 LEU 64 -9.301 6.799 13.549 540 HD22 LEU 64 1HD2 LEU 64 -8.598 7.690 14.920 541 HD23 LEU 64 2HD2 LEU 64 -7.562 6.690 13.874 542 H ILE 65 H ILE 65 -5.488 3.196 16.245 543 HA ILE 65 HA ILE 65 -6.757 1.105 14.574 544 HB ILE 65 HB ILE 65 -3.831 1.233 15.393 545 HG12 ILE 65 1HG1 ILE 65 -4.770 2.282 12.652 546 HG13 ILE 65 2HG1 ILE 65 -4.856 3.336 14.025 547 HG21 ILE 65 1HG2 ILE 65 -3.422 -0.042 13.206 548 HG22 ILE 65 2HG2 ILE 65 -4.372 -0.983 14.360 549 HG23 ILE 65 3HG2 ILE 65 -5.176 -0.194 12.982 550 HD11 ILE 65 3HD1 ILE 65 -2.363 2.833 14.548 551 HD12 ILE 65 1HD1 ILE 65 -2.272 2.051 12.948 552 HD13 ILE 65 2HD1 ILE 65 -2.688 3.778 13.103 553 H ALA 66 H ALA 66 -5.020 0.787 17.746 554 HA ALA 66 HA ALA 66 -5.515 -2.111 18.067 555 HB1 ALA 66 3HB ALA 66 -4.979 -1.679 20.473 556 HB2 ALA 66 1HB ALA 66 -3.809 -0.870 19.409 557 HB3 ALA 66 2HB ALA 66 -5.086 0.077 20.211 558 H ARG 67 H ARG 67 -7.428 0.681 19.245 559 HA ARG 67 HA ARG 67 -9.816 -0.692 20.201 560 HE ARG 67 HE ARG 67 -13.326 3.417 20.202 561 HB2 ARG 67 1HB ARG 67 -9.152 1.670 20.555 562 HB3 ARG 67 2HB ARG 67 -9.303 2.019 18.839 563 HG2 ARG 67 1HG ARG 67 -11.792 1.751 18.974 564 HG3 ARG 67 2HG ARG 67 -11.670 1.338 20.694 565 HD2 ARG 67 1HD ARG 67 -10.544 3.555 21.174 566 HD3 ARG 67 2HD ARG 67 -10.589 3.973 19.450 567 HH11 ARG 67 2HH1 ARG 67 -10.881 5.776 21.026 568 HH12 ARG 67 1HH1 ARG 67 -12.131 7.060 21.365 569 HH21 ARG 67 2HH2 ARG 67 -14.715 4.913 20.597 570 HH22 ARG 67 1HH2 ARG 67 -14.191 6.576 21.125 571 H LEU 68 H LEU 68 -9.151 0.390 16.789 572 HA LEU 68 HA LEU 68 -11.551 -0.774 15.600 573 HG LEU 68 HG LEU 68 -10.814 -1.527 12.964 574 HB2 LEU 68 1HB LEU 68 -9.880 0.928 14.572 575 HB3 LEU 68 2HB LEU 68 -8.767 -0.386 14.358 576 HD11 LEU 68 1HD1 LEU 68 -12.558 0.115 13.580 577 HD12 LEU 68 2HD1 LEU 68 -11.580 1.468 12.978 578 HD13 LEU 68 3HD1 LEU 68 -12.232 0.265 11.850 579 HD21 LEU 68 3HD2 LEU 68 -8.702 -0.922 11.863 580 HD22 LEU 68 1HD2 LEU 68 -10.053 -0.355 10.870 581 HD23 LEU 68 2HD2 LEU 68 -9.125 0.800 11.859 582 H LEU 69 H LEU 69 -8.246 -2.255 15.769 583 HA LEU 69 HA LEU 69 -9.232 -4.804 14.621 584 HG LEU 69 HG LEU 69 -5.647 -4.651 13.587 585 HB2 LEU 69 1HB LEU 69 -6.531 -3.962 15.762 586 HB3 LEU 69 2HB LEU 69 -6.844 -5.629 15.406 587 HD11 LEU 69 1HD1 LEU 69 -6.964 -5.356 11.650 588 HD12 LEU 69 2HD1 LEU 69 -7.427 -6.424 12.985 589 HD13 LEU 69 3HD1 LEU 69 -8.501 -5.113 12.494 590 HD21 LEU 69 3HD2 LEU 69 -6.448 -2.891 12.099 591 HD22 LEU 69 1HD2 LEU 69 -7.950 -2.716 13.040 592 HD23 LEU 69 2HD2 LEU 69 -6.380 -2.278 13.768 593 H GLN 70 H GLN 70 -8.740 -3.896 18.034 594 HA GLN 70 HA GLN 70 -9.641 -6.497 19.144 595 HB2 GLN 70 1HB GLN 70 -9.792 -3.624 20.248 596 HB3 GLN 70 2HB GLN 70 -10.320 -5.027 21.160 597 HG2 GLN 70 1HG GLN 70 -8.006 -6.032 21.094 598 HG3 GLN 70 2HG GLN 70 -7.453 -4.728 20.067 599 HE21 GLN 70 1HE2 GLN 70 -8.447 -5.452 23.358 600 HE22 GLN 70 2HE2 GLN 70 -7.594 -3.954 24.015 601 H LYS 71 H LYS 71 -11.549 -3.605 18.140 602 HA LYS 71 HA LYS 71 -14.223 -4.777 18.537 603 HB2 LYS 71 1HB LYS 71 -13.705 -2.369 18.236 604 HB3 LYS 71 2HB LYS 71 -13.210 -2.610 16.588 605 HG2 LYS 71 1HG LYS 71 -16.094 -3.186 17.560 606 HG3 LYS 71 2HG LYS 71 -15.527 -1.586 17.123 607 HD2 LYS 71 1HD LYS 71 -14.812 -2.665 14.777 608 HD3 LYS 71 2HD LYS 71 -15.795 -4.019 15.278 609 HE2 LYS 71 1HE LYS 71 -17.253 -2.729 13.923 610 HE3 LYS 71 2HE LYS 71 -17.815 -2.394 15.562 611 HZ1 LYS 71 3HZ LYS 71 -15.945 -0.694 13.888 612 HZ2 LYS 71 1HZ LYS 71 -17.490 -0.309 14.140 613 HZ3 LYS 71 2HZ LYS 71 -16.409 -0.236 15.420 614 H LEU 72 H LEU 72 -12.145 -4.881 15.589 615 HA LEU 72 HA LEU 72 -13.877 -6.805 14.133 616 HG LEU 72 HG LEU 72 -12.878 -4.343 13.119 617 HB2 LEU 72 1HB LEU 72 -10.915 -6.016 13.884 618 HB3 LEU 72 2HB LEU 72 -11.639 -7.140 12.785 619 HD11 LEU 72 1HD1 LEU 72 -10.488 -4.004 12.508 620 HD12 LEU 72 2HD1 LEU 72 -10.648 -5.139 11.136 621 HD13 LEU 72 3HD1 LEU 72 -11.546 -3.599 11.156 622 HD21 LEU 72 3HD2 LEU 72 -14.315 -5.990 11.935 623 HD22 LEU 72 1HD2 LEU 72 -13.658 -4.874 10.723 624 HD23 LEU 72 2HD2 LEU 72 -12.968 -6.499 10.889 625 H GLY 73 H GLY 73 -12.112 -7.580 16.909 626 HA2 GLY 73 1HA GLY 73 -12.194 -9.890 17.827 627 HA3 GLY 73 2HA GLY 73 -12.264 -10.569 16.227 628 H TYR 74 H TYR 74 -9.640 -8.399 16.319 629 HA TYR 74 HA TYR 74 -7.787 -10.756 16.101 630 HD1 TYR 74 HD1 TYR 74 -9.471 -8.352 13.817 631 HD2 TYR 74 HD2 TYR 74 -5.522 -10.021 13.627 632 HE1 TYR 74 HE1 TYR 74 -9.889 -9.111 11.505 633 HE2 TYR 74 HE2 TYR 74 -5.936 -10.761 11.327 634 HH TYR 74 HH TYR 74 -7.512 -11.095 9.745 635 HB2 TYR 74 1HB TYR 74 -7.511 -7.743 15.548 636 HB3 TYR 74 2HB TYR 74 -6.127 -8.781 15.548 637 H LYS 75 H LYS 75 -5.743 -10.909 17.097 638 HA LYS 75 HA LYS 75 -5.981 -10.323 20.113 639 HB2 LYS 75 1HB LYS 75 -5.103 -12.897 18.681 640 HB3 LYS 75 2HB LYS 75 -5.037 -12.670 20.401 641 HG2 LYS 75 1HG LYS 75 -7.666 -12.636 18.754 642 HG3 LYS 75 2HG LYS 75 -6.970 -14.034 19.527 643 HD2 LYS 75 1HD LYS 75 -8.438 -13.513 21.207 644 HD3 LYS 75 2HD LYS 75 -7.052 -12.645 21.787 645 HE2 LYS 75 1HE LYS 75 -8.893 -11.157 22.104 646 HE3 LYS 75 2HE LYS 75 -8.032 -10.467 20.745 647 HZ1 LYS 75 3HZ LYS 75 -9.687 -11.485 19.200 648 HZ2 LYS 75 1HZ LYS 75 -10.425 -12.286 20.429 649 HZ3 LYS 75 2HZ LYS 75 -10.501 -10.641 20.341 650 H ASP 76 H ASP 76 -3.291 -11.703 18.166 651 HA ASP 76 HA ASP 76 -1.403 -10.664 20.118 652 HB2 ASP 76 1HB ASP 76 -0.777 -11.933 17.408 653 HB3 ASP 76 2HB ASP 76 0.335 -11.751 18.748 654 H ILE 77 H ILE 77 -1.884 -8.443 19.933 655 HA ILE 77 HA ILE 77 -1.337 -6.932 17.503 656 HB ILE 77 HB ILE 77 -1.992 -5.984 20.337 657 HG12 ILE 77 1HG1 ILE 77 -3.988 -5.896 17.984 658 HG13 ILE 77 2HG1 ILE 77 -3.746 -7.408 18.808 659 HG21 ILE 77 1HG2 ILE 77 -0.971 -4.060 19.095 660 HG22 ILE 77 2HG2 ILE 77 -2.111 -4.296 17.751 661 HG23 ILE 77 3HG2 ILE 77 -2.695 -3.773 19.347 662 HD11 ILE 77 3HD1 ILE 77 -4.381 -6.380 21.021 663 HD12 ILE 77 1HD1 ILE 77 -4.679 -4.820 20.207 664 HD13 ILE 77 2HD1 ILE 77 -5.664 -6.247 19.798 665 H ASN 78 H ASN 78 0.698 -6.984 16.836 666 HA ASN 78 HA ASN 78 3.063 -6.419 18.623 667 HB2 ASN 78 1HB ASN 78 2.996 -8.236 16.886 668 HB3 ASN 78 2HB ASN 78 2.835 -7.038 15.621 669 HD21 ASN 78 1HD2 ASN 78 4.763 -8.338 14.895 670 HD22 ASN 78 2HD2 ASN 78 6.390 -7.828 15.616 671 H VAL 79 H VAL 79 2.967 -4.347 19.243 672 HA VAL 79 HA VAL 79 2.392 -2.051 17.431 673 HB VAL 79 HB VAL 79 3.331 -2.130 20.361 674 HG11 VAL 79 1HG1 VAL 79 2.434 0.325 18.716 675 HG12 VAL 79 2HG1 VAL 79 2.610 0.306 20.492 676 HG13 VAL 79 3HG1 VAL 79 4.024 0.064 19.462 677 HG21 VAL 79 3HG2 VAL 79 0.969 -1.446 20.907 678 HG22 VAL 79 1HG2 VAL 79 0.519 -1.538 19.188 679 HG23 VAL 79 2HG2 VAL 79 0.991 -3.004 20.073 680 H ARG 80 H ARG 80 3.870 -1.711 15.885 681 HA ARG 80 HA ARG 80 6.875 -1.579 16.565 682 HE ARG 80 HE ARG 80 5.652 -4.382 12.798 683 HB2 ARG 80 1HB ARG 80 6.112 -3.611 15.465 684 HB3 ARG 80 2HB ARG 80 5.266 -2.726 14.208 685 HG2 ARG 80 1HG ARG 80 7.284 -2.059 13.094 686 HG3 ARG 80 2HG ARG 80 8.296 -2.400 14.483 687 HD2 ARG 80 1HD ARG 80 8.571 -4.112 12.665 688 HD3 ARG 80 2HD ARG 80 8.121 -4.796 14.236 689 HH11 ARG 80 2HH1 ARG 80 8.400 -6.523 12.568 690 HH12 ARG 80 1HH1 ARG 80 7.287 -7.943 12.221 691 HH21 ARG 80 2HH2 ARG 80 4.515 -5.984 12.454 692 HH22 ARG 80 1HH2 ARG 80 5.145 -7.665 12.455 693 H VAL 81 H VAL 81 6.546 0.677 17.060 694 HA VAL 81 HA VAL 81 5.633 2.495 14.868 695 HB VAL 81 HB VAL 81 6.501 3.281 17.679 696 HG11 VAL 81 1HG1 VAL 81 5.237 5.431 17.190 697 HG12 VAL 81 2HG1 VAL 81 6.617 5.234 16.108 698 HG13 VAL 81 3HG1 VAL 81 4.980 4.903 15.508 699 HG21 VAL 81 3HG2 VAL 81 3.632 2.884 16.556 700 HG22 VAL 81 1HG2 VAL 81 4.420 1.851 17.765 701 HG23 VAL 81 2HG2 VAL 81 4.038 3.532 18.162 702 H ASN 82 H ASN 82 6.965 3.108 13.321 703 HA ASN 82 HA ASN 82 10.002 3.305 13.745 704 HB2 ASN 82 1HB ASN 82 9.231 1.911 11.902 705 HB3 ASN 82 2HB ASN 82 8.253 3.180 11.218 706 HD21 ASN 82 1HD2 ASN 82 9.260 4.030 9.360 707 HD22 ASN 82 2HD2 ASN 82 11.091 4.129 9.246 708 H GLY 83 H GLY 83 9.574 5.118 15.181 709 HA2 GLY 83 1HA GLY 83 9.977 7.508 15.585 710 HA3 GLY 83 2HA GLY 83 9.958 7.834 13.866 711 H THR 84 H THR 84 8.030 8.369 12.904 712 HA THR 84 HA THR 84 5.494 8.569 14.623 713 HB THR 84 HB THR 84 4.545 10.164 13.146 714 HG1 THR 84 HG1 THR 84 5.277 10.661 11.261 715 HG21 THR 84 3HG2 THR 84 7.393 11.178 13.670 716 HG22 THR 84 1HG2 THR 84 5.929 12.159 13.423 717 HG23 THR 84 2HG2 THR 84 6.091 11.152 14.885 718 H GLU 85 H GLU 85 6.830 6.544 12.211 719 HA GLU 85 HA GLU 85 4.282 5.890 10.831 720 HB2 GLU 85 1HB GLU 85 7.134 4.897 10.645 721 HB3 GLU 85 2HB GLU 85 5.904 3.762 10.137 722 HG2 GLU 85 1HG GLU 85 4.963 5.345 8.540 723 HG3 GLU 85 2HG GLU 85 6.029 6.648 9.113 724 H VAL 86 H VAL 86 2.748 5.191 12.051 725 HA VAL 86 HA VAL 86 3.160 3.258 14.315 726 HB VAL 86 HB VAL 86 0.590 4.557 13.246 727 HG11 VAL 86 1HG1 VAL 86 1.071 3.146 15.959 728 HG12 VAL 86 2HG1 VAL 86 -0.411 3.998 15.454 729 HG13 VAL 86 3HG1 VAL 86 0.077 2.531 14.613 730 HG21 VAL 86 3HG2 VAL 86 2.341 5.417 15.660 731 HG22 VAL 86 1HG2 VAL 86 2.113 6.334 14.155 732 HG23 VAL 86 2HG2 VAL 86 0.746 6.093 15.248 733 H LYS 87 H LYS 87 3.880 1.380 13.304 734 HA LYS 87 HA LYS 87 2.108 0.002 11.273 735 HB2 LYS 87 1HB LYS 87 4.600 0.393 10.968 736 HB3 LYS 87 2HB LYS 87 4.900 -0.852 12.164 737 HG2 LYS 87 1HG LYS 87 3.868 -2.598 10.780 738 HG3 LYS 87 2HG LYS 87 3.131 -1.412 9.713 739 HD2 LYS 87 1HD LYS 87 5.481 -0.600 9.043 740 HD3 LYS 87 2HD LYS 87 6.172 -1.924 9.985 741 HE2 LYS 87 1HE LYS 87 4.958 -3.618 8.514 742 HE3 LYS 87 2HE LYS 87 4.154 -2.308 7.647 743 HZ1 LYS 87 3HZ LYS 87 6.398 -1.460 6.949 744 HZ2 LYS 87 1HZ LYS 87 7.151 -2.703 7.705 745 HZ3 LYS 87 2HZ LYS 87 6.178 -2.994 6.409 746 H ILE 88 H ILE 88 0.456 -0.947 12.231 747 HA ILE 88 HA ILE 88 0.849 -2.528 14.834 748 HB ILE 88 HB ILE 88 -1.762 -1.516 13.643 749 HG12 ILE 88 1HG1 ILE 88 -0.538 0.466 14.202 750 HG13 ILE 88 2HG1 ILE 88 -1.775 0.245 15.411 751 HG21 ILE 88 1HG2 ILE 88 -1.146 -2.656 16.442 752 HG22 ILE 88 2HG2 ILE 88 -2.700 -1.931 15.960 753 HG23 ILE 88 3HG2 ILE 88 -2.139 -3.415 15.183 754 HD11 ILE 88 3HD1 ILE 88 1.241 -0.368 15.812 755 HD12 ILE 88 1HD1 ILE 88 0.333 0.993 16.485 756 HD13 ILE 88 2HD1 ILE 88 -0.015 -0.650 17.049 757 H GLU 89 H GLU 89 1.356 -4.521 14.403 758 HA GLU 89 HA GLU 89 0.110 -6.048 12.053 759 HB2 GLU 89 1HB GLU 89 2.473 -5.774 11.952 760 HB3 GLU 89 2HB GLU 89 2.740 -6.320 13.586 761 HG2 GLU 89 1HG GLU 89 1.360 -8.370 11.806 762 HG3 GLU 89 2HG GLU 89 2.942 -7.923 11.244 763 H VAL 90 H VAL 90 -1.534 -7.267 12.561 764 HA VAL 90 HA VAL 90 -1.811 -8.440 15.376 765 HB VAL 90 HB VAL 90 -4.141 -7.950 15.302 766 HG11 VAL 90 1HG1 VAL 90 -2.640 -6.079 16.085 767 HG12 VAL 90 2HG1 VAL 90 -2.679 -5.387 14.462 768 HG13 VAL 90 3HG1 VAL 90 -4.173 -5.480 15.428 769 HG21 VAL 90 3HG2 VAL 90 -5.409 -6.933 13.610 770 HG22 VAL 90 1HG2 VAL 90 -4.010 -6.360 12.667 771 HG23 VAL 90 2HG2 VAL 90 -4.455 -8.072 12.671 772 H ARG 91 H ARG 91 -2.560 -10.439 15.735 773 HA ARG 91 HA ARG 91 -3.105 -12.266 13.300 774 HE ARG 91 HE ARG 91 2.206 -14.315 14.544 775 HB2 ARG 91 1HB ARG 91 -2.246 -13.031 16.151 776 HB3 ARG 91 2HB ARG 91 -2.692 -14.204 14.945 777 HG2 ARG 91 1HG ARG 91 -0.819 -13.689 13.476 778 HG3 ARG 91 2HG ARG 91 -0.488 -12.199 14.319 779 HD2 ARG 91 1HD ARG 91 0.022 -13.782 16.469 780 HD3 ARG 91 2HD ARG 91 0.046 -15.070 15.301 781 HH11 ARG 91 2HH1 ARG 91 0.719 -11.614 16.197 782 HH12 ARG 91 1HH1 ARG 91 1.909 -10.490 15.355 783 HH21 ARG 91 2HH2 ARG 91 3.695 -12.952 13.954 784 HH22 ARG 91 1HH2 ARG 91 3.491 -11.185 14.387 785 H VAL 92 H VAL 92 -4.831 -13.694 13.240 786 HA VAL 92 HA VAL 92 -7.350 -12.927 14.608 787 HB VAL 92 HB VAL 92 -6.681 -15.418 12.932 788 HG11 VAL 92 1HG1 VAL 92 -9.496 -14.476 13.822 789 HG12 VAL 92 2HG1 VAL 92 -9.154 -15.768 12.645 790 HG13 VAL 92 3HG1 VAL 92 -8.679 -15.976 14.332 791 HG21 VAL 92 3HG2 VAL 92 -7.973 -14.292 11.097 792 HG22 VAL 92 1HG2 VAL 92 -8.295 -12.887 12.140 793 HG23 VAL 92 2HG2 VAL 92 -6.639 -13.248 11.609 Start of MODEL 4 1 H HIS -1 H HIS -1 3.668 8.803 3.920 2 HA HIS -1 HA HIS -1 6.275 9.734 2.865 3 HD2 HIS -1 HD2 HIS -1 3.583 6.356 1.940 4 HE1 HIS -1 HE1 HIS -1 6.834 5.466 -0.454 5 HE2 HIS -1 HE2 HIS -1 4.605 4.537 0.432 6 HB2 HIS -1 1HB HIS -1 3.636 9.007 1.448 7 HB3 HIS -1 2HB HIS -1 5.047 9.641 0.658 8 H MET 0 H MET 0 5.102 11.284 4.801 9 HA MET 0 HA MET 0 5.057 13.646 5.132 10 HB2 MET 0 1HB MET 0 4.140 14.224 2.285 11 HB3 MET 0 2HB MET 0 4.480 15.397 3.532 12 HG2 MET 0 1HG MET 0 6.918 14.730 3.571 13 HG3 MET 0 2HG MET 0 6.602 13.508 2.324 14 HE1 MET 0 3HE MET 0 8.376 16.137 0.088 15 HE2 MET 0 1HE MET 0 8.805 15.378 1.647 16 HE3 MET 0 2HE MET 0 8.097 14.388 0.337 17 H LYS 1 H LYS 1 3.542 14.258 6.431 18 HA LYS 1 HA LYS 1 1.537 14.837 7.400 19 HB2 LYS 1 1HB LYS 1 0.967 16.169 5.501 20 HB3 LYS 1 2HB LYS 1 0.341 14.804 4.615 21 HG2 LYS 1 1HG LYS 1 -1.518 16.141 5.403 22 HG3 LYS 1 2HG LYS 1 -1.587 14.568 6.174 23 HD2 LYS 1 1HD LYS 1 -0.516 15.594 8.279 24 HD3 LYS 1 2HD LYS 1 -0.541 17.167 7.492 25 HE2 LYS 1 1HE LYS 1 -3.103 17.011 7.301 26 HE3 LYS 1 2HE LYS 1 -3.051 15.416 8.071 27 HZ1 LYS 1 3HZ LYS 1 -1.956 17.906 9.408 28 HZ2 LYS 1 1HZ LYS 1 -3.419 17.213 9.796 29 HZ3 LYS 1 2HZ LYS 1 -1.957 16.449 10.064 30 H VAL 2 H VAL 2 -0.213 12.593 5.335 31 HA VAL 2 HA VAL 2 -0.119 10.444 7.488 32 HB VAL 2 HB VAL 2 -2.800 11.618 6.528 33 HG11 VAL 2 1HG1 VAL 2 -2.270 9.283 8.497 34 HG12 VAL 2 2HG1 VAL 2 -3.865 9.989 8.142 35 HG13 VAL 2 3HG1 VAL 2 -2.980 9.130 6.874 36 HG21 VAL 2 3HG2 VAL 2 -1.821 13.074 8.328 37 HG22 VAL 2 1HG2 VAL 2 -3.233 12.199 8.940 38 HG23 VAL 2 2HG2 VAL 2 -1.584 11.662 9.375 39 H ASP 3 H ASP 3 0.930 9.074 6.074 40 HA ASP 3 HA ASP 3 -0.749 8.135 3.692 41 HB2 ASP 3 1HB ASP 3 1.811 8.767 3.302 42 HB3 ASP 3 2HB ASP 3 2.129 7.174 3.973 43 H ILE 4 H ILE 4 -0.706 5.833 3.334 44 HA ILE 4 HA ILE 4 -1.311 4.294 5.883 45 HB ILE 4 HB ILE 4 -3.579 3.661 5.192 46 HG12 ILE 4 1HG1 ILE 4 -3.529 5.992 3.186 47 HG13 ILE 4 2HG1 ILE 4 -3.570 4.300 2.755 48 HG21 ILE 4 1HG2 ILE 4 -2.963 5.534 6.897 49 HG22 ILE 4 2HG2 ILE 4 -3.459 6.697 5.671 50 HG23 ILE 4 3HG2 ILE 4 -4.642 5.520 6.314 51 HD11 ILE 4 3HD1 ILE 4 -5.825 5.850 4.158 52 HD12 ILE 4 1HD1 ILE 4 -5.835 5.142 2.531 53 HD13 ILE 4 2HD1 ILE 4 -5.848 4.077 3.960 54 H THR 5 H THR 5 0.375 3.054 5.380 55 HA THR 5 HA THR 5 0.468 1.541 2.731 56 HB THR 5 HB THR 5 2.543 1.483 4.977 57 HG1 THR 5 HG1 THR 5 2.604 3.033 2.558 58 HG21 THR 5 3HG2 THR 5 4.113 0.772 3.174 59 HG22 THR 5 1HG2 THR 5 2.797 -0.420 3.328 60 HG23 THR 5 2HG2 THR 5 2.796 0.753 1.985 61 H ILE 6 H ILE 6 -1.167 0.049 2.945 62 HA ILE 6 HA ILE 6 -1.465 -1.546 5.581 63 HB ILE 6 HB ILE 6 -3.710 -0.916 3.607 64 HG12 ILE 6 1HG1 ILE 6 -3.116 1.264 4.366 65 HG13 ILE 6 2HG1 ILE 6 -4.621 0.805 5.097 66 HG21 ILE 6 1HG2 ILE 6 -5.246 -1.504 5.524 67 HG22 ILE 6 2HG2 ILE 6 -4.236 -2.868 5.027 68 HG23 ILE 6 3HG2 ILE 6 -3.835 -1.967 6.505 69 HD11 ILE 6 3HD1 ILE 6 -3.360 0.250 7.275 70 HD12 ILE 6 1HD1 ILE 6 -1.859 0.832 6.512 71 HD13 ILE 6 2HD1 ILE 6 -3.204 1.955 6.792 72 H LYS 7 H LYS 7 -0.796 -3.636 5.314 73 HA LYS 7 HA LYS 7 -1.356 -5.067 2.628 74 HB2 LYS 7 1HB LYS 7 0.764 -5.660 4.774 75 HB3 LYS 7 2HB LYS 7 0.341 -6.817 3.534 76 HG2 LYS 7 1HG LYS 7 1.124 -5.388 1.721 77 HG3 LYS 7 2HG LYS 7 1.392 -4.023 2.799 78 HD2 LYS 7 1HD LYS 7 3.162 -5.294 4.020 79 HD3 LYS 7 2HD LYS 7 2.855 -6.755 3.093 80 HE2 LYS 7 1HE LYS 7 3.748 -4.099 1.754 81 HE3 LYS 7 2HE LYS 7 4.917 -5.238 2.432 82 HZ1 LYS 7 3HZ LYS 7 3.801 -7.036 0.860 83 HZ2 LYS 7 1HZ LYS 7 2.984 -5.780 0.142 84 HZ3 LYS 7 2HZ LYS 7 4.607 -5.811 0.066 85 H ILE 8 H ILE 8 -3.136 -6.330 2.691 86 HA ILE 8 HA ILE 8 -3.970 -7.803 5.259 87 HB ILE 8 HB ILE 8 -5.405 -7.423 2.578 88 HG12 ILE 8 1HG1 ILE 8 -6.381 -6.507 5.361 89 HG13 ILE 8 2HG1 ILE 8 -5.370 -5.487 4.359 90 HG21 ILE 8 1HG2 ILE 8 -7.413 -8.597 3.618 91 HG22 ILE 8 2HG2 ILE 8 -6.046 -9.688 3.382 92 HG23 ILE 8 3HG2 ILE 8 -6.408 -9.061 5.007 93 HD11 ILE 8 3HD1 ILE 8 -7.096 -5.523 2.497 94 HD12 ILE 8 1HD1 ILE 8 -8.187 -6.463 3.549 95 HD13 ILE 8 2HD1 ILE 8 -7.700 -4.823 4.014 96 H GLN 9 H GLN 9 -2.585 -9.540 5.510 97 HA GLN 9 HA GLN 9 -1.649 -11.070 3.055 98 HB2 GLN 9 1HB GLN 9 -0.049 -9.991 4.672 99 HB3 GLN 9 2HB GLN 9 -0.543 -11.110 5.917 100 HG2 GLN 9 1HG GLN 9 0.574 -12.075 3.183 101 HG3 GLN 9 2HG GLN 9 1.635 -11.463 4.423 102 HE21 GLN 9 1HE2 GLN 9 2.596 -13.528 4.047 103 HE22 GLN 9 2HE2 GLN 9 1.999 -14.923 5.089 104 H ARG 10 H ARG 10 -2.632 -12.868 2.529 105 HA ARG 10 HA ARG 10 -3.764 -14.747 4.709 106 HE ARG 10 HE ARG 10 -7.049 -13.889 0.765 107 HB2 ARG 10 1HB ARG 10 -4.777 -14.313 1.840 108 HB3 ARG 10 2HB ARG 10 -5.440 -15.438 3.011 109 HG2 ARG 10 1HG ARG 10 -5.950 -13.401 4.549 110 HG3 ARG 10 2HG ARG 10 -5.488 -12.351 3.225 111 HD2 ARG 10 1HD ARG 10 -7.768 -14.441 3.119 112 HD3 ARG 10 2HD ARG 10 -8.011 -12.760 3.476 113 HH11 ARG 10 2HH1 ARG 10 -8.233 -11.111 2.480 114 HH12 ARG 10 1HH1 ARG 10 -8.693 -10.276 0.915 115 HH21 ARG 10 2HH2 ARG 10 -7.536 -12.947 -0.912 116 HH22 ARG 10 1HH2 ARG 10 -8.365 -11.313 -0.939 117 H ASP 11 H ASP 11 -1.303 -15.206 4.513 118 HA ASP 11 HA ASP 11 0.346 -16.753 4.162 119 HB2 ASP 11 1HB ASP 11 -1.843 -18.346 4.607 120 HB3 ASP 11 2HB ASP 11 -1.414 -18.949 3.031 121 H GLY 12 H GLY 12 1.390 -15.504 2.648 122 HA2 GLY 12 1HA GLY 12 2.604 -15.335 0.484 123 HA3 GLY 12 2HA GLY 12 1.579 -16.570 -0.213 124 H GLN 13 H GLN 13 -0.920 -15.587 0.151 125 HA GLN 13 HA GLN 13 -1.112 -13.530 -2.010 126 HB2 GLN 13 1HB GLN 13 -2.599 -15.568 -1.715 127 HB3 GLN 13 2HB GLN 13 -3.257 -14.876 -0.241 128 HG2 GLN 13 1HG GLN 13 -4.009 -12.838 -1.727 129 HG3 GLN 13 2HG GLN 13 -3.548 -13.778 -3.124 130 HE21 GLN 13 1HE2 GLN 13 -4.740 -15.825 -3.439 131 HE22 GLN 13 2HE2 GLN 13 -6.450 -15.943 -2.776 132 H GLU 14 H GLU 14 -0.106 -11.638 -1.092 133 HA GLU 14 HA GLU 14 -1.793 -10.201 0.977 134 HB2 GLU 14 1HB GLU 14 -0.013 -8.798 1.617 135 HB3 GLU 14 2HB GLU 14 0.337 -10.495 1.786 136 HG2 GLU 14 1HG GLU 14 1.838 -10.453 -0.231 137 HG3 GLU 14 2HG GLU 14 1.551 -8.729 -0.416 138 H ILE 15 H ILE 15 -3.028 -8.692 0.577 139 HA ILE 15 HA ILE 15 -2.986 -7.243 -2.130 140 HB ILE 15 HB ILE 15 -5.478 -7.692 -0.380 141 HG12 ILE 15 1HG1 ILE 15 -6.180 -9.277 -2.397 142 HG13 ILE 15 2HG1 ILE 15 -4.464 -9.421 -2.719 143 HG21 ILE 15 1HG2 ILE 15 -5.646 -5.740 -1.949 144 HG22 ILE 15 2HG2 ILE 15 -5.189 -6.772 -3.324 145 HG23 ILE 15 3HG2 ILE 15 -6.728 -7.032 -2.474 146 HD11 ILE 15 3HD1 ILE 15 -5.530 -11.275 -1.282 147 HD12 ILE 15 1HD1 ILE 15 -4.112 -10.559 -0.524 148 HD13 ILE 15 2HD1 ILE 15 -5.731 -10.101 0.042 149 H GLU 16 H GLU 16 -2.509 -5.144 -1.991 150 HA GLU 16 HA GLU 16 -2.775 -3.717 0.655 151 HB2 GLU 16 1HB GLU 16 -0.411 -3.195 0.679 152 HB3 GLU 16 2HB GLU 16 -0.634 -4.914 0.458 153 HG2 GLU 16 1HG GLU 16 -0.178 -4.524 -2.109 154 HG3 GLU 16 2HG GLU 16 0.286 -2.877 -1.678 155 H ILE 17 H ILE 17 -2.426 -1.584 0.850 156 HA ILE 17 HA ILE 17 -2.686 0.157 -1.656 157 HB ILE 17 HB ILE 17 -4.117 1.799 -0.509 158 HG12 ILE 17 1HG1 ILE 17 -4.808 -0.272 1.652 159 HG13 ILE 17 2HG1 ILE 17 -3.612 0.984 1.916 160 HG21 ILE 17 1HG2 ILE 17 -5.486 -0.949 -0.745 161 HG22 ILE 17 2HG2 ILE 17 -6.280 0.638 -0.876 162 HG23 ILE 17 3HG2 ILE 17 -5.103 0.129 -2.104 163 HD11 ILE 17 3HD1 ILE 17 -5.752 1.754 2.838 164 HD12 ILE 17 1HD1 ILE 17 -5.323 2.786 1.457 165 HD13 ILE 17 2HD1 ILE 17 -6.582 1.533 1.280 166 H ASP 18 H ASP 18 -1.593 2.082 -1.654 167 HA ASP 18 HA ASP 18 -0.184 3.088 0.832 168 HB2 ASP 18 1HB ASP 18 1.352 1.371 -0.340 169 HB3 ASP 18 2HB ASP 18 1.407 2.424 -1.744 170 H ILE 19 H ILE 19 -0.678 5.364 0.771 171 HA ILE 19 HA ILE 19 -1.213 6.895 -1.561 172 HB ILE 19 HB ILE 19 -3.803 7.137 -1.408 173 HG12 ILE 19 1HG1 ILE 19 -3.784 4.184 -0.552 174 HG13 ILE 19 2HG1 ILE 19 -4.006 5.469 0.602 175 HG21 ILE 19 1HG2 ILE 19 -2.565 6.313 -3.437 176 HG22 ILE 19 2HG2 ILE 19 -2.777 4.643 -2.870 177 HG23 ILE 19 3HG2 ILE 19 -4.194 5.632 -3.281 178 HD11 ILE 19 3HD1 ILE 19 -6.208 4.559 -0.093 179 HD12 ILE 19 1HD1 ILE 19 -6.087 6.273 -0.549 180 HD13 ILE 19 2HD1 ILE 19 -5.909 4.998 -1.787 181 H ARG 20 H ARG 20 -0.423 8.632 -0.421 182 HA ARG 20 HA ARG 20 -1.243 9.388 2.135 183 HE ARG 20 HE ARG 20 1.345 13.527 -1.569 184 HB2 ARG 20 1HB ARG 20 0.100 11.273 2.089 185 HB3 ARG 20 2HB ARG 20 0.875 9.973 1.245 186 HG2 ARG 20 1HG ARG 20 0.221 11.098 -0.999 187 HG3 ARG 20 2HG ARG 20 -0.396 12.463 -0.054 188 HD2 ARG 20 1HD ARG 20 1.925 12.617 1.104 189 HD3 ARG 20 2HD ARG 20 2.484 11.316 0.033 190 HH11 ARG 20 2HH1 ARG 20 4.203 12.714 0.288 191 HH12 ARG 20 1HH1 ARG 20 5.242 13.860 -0.692 192 HH21 ARG 20 2HH2 ARG 20 2.557 14.850 -2.612 193 HH22 ARG 20 1HH2 ARG 20 4.331 15.018 -2.238 194 H VAL 21 H VAL 21 -2.655 10.496 3.157 195 HA VAL 21 HA VAL 21 -4.954 11.813 1.598 196 HB VAL 21 HB VAL 21 -6.477 10.659 3.273 197 HG11 VAL 21 1HG1 VAL 21 -6.650 8.576 1.952 198 HG12 VAL 21 2HG1 VAL 21 -6.323 9.956 0.885 199 HG13 VAL 21 3HG1 VAL 21 -5.017 8.821 1.289 200 HG21 VAL 21 3HG2 VAL 21 -4.746 9.846 4.971 201 HG22 VAL 21 1HG2 VAL 21 -5.847 8.583 4.391 202 HG23 VAL 21 2HG2 VAL 21 -4.182 8.662 3.775 203 H SER 22 H SER 22 -4.419 13.909 2.065 204 HA SER 22 HA SER 22 -4.087 14.970 4.812 205 HG SER 22 HG SER 22 -5.867 16.521 2.295 206 HB2 SER 22 1HB SER 22 -4.043 17.161 3.765 207 HB3 SER 22 2HB SER 22 -3.093 16.066 2.766 208 H THR 23 H THR 23 -5.777 14.240 5.910 209 HA THR 23 HA THR 23 -8.647 15.075 5.260 210 HB THR 23 HB THR 23 -9.174 12.648 5.970 211 HG1 THR 23 HG1 THR 23 -6.407 12.232 5.457 212 HG21 THR 23 3HG2 THR 23 -9.175 13.330 3.551 213 HG22 THR 23 1HG2 THR 23 -7.459 12.917 3.427 214 HG23 THR 23 2HG2 THR 23 -8.648 11.641 3.782 215 H GLY 24 H GLY 24 -10.192 15.193 6.807 216 HA2 GLY 24 1HA GLY 24 -9.349 14.996 9.794 217 HA3 GLY 24 2HA GLY 24 -10.579 16.096 9.211 218 H LYS 25 H LYS 25 -12.553 15.120 8.362 219 HA LYS 25 HA LYS 25 -13.232 12.392 9.610 220 HB2 LYS 25 1HB LYS 25 -15.488 12.945 9.863 221 HB3 LYS 25 2HB LYS 25 -14.482 14.073 10.733 222 HG2 LYS 25 1HG LYS 25 -14.914 15.858 8.957 223 HG3 LYS 25 2HG LYS 25 -15.812 14.687 8.012 224 HD2 LYS 25 1HD LYS 25 -17.476 15.953 9.093 225 HD3 LYS 25 2HD LYS 25 -17.470 14.384 9.892 226 HE2 LYS 25 1HE LYS 25 -16.068 15.444 11.814 227 HE3 LYS 25 2HE LYS 25 -16.206 17.008 11.004 228 HZ1 LYS 25 3HZ LYS 25 -18.559 15.323 11.891 229 HZ2 LYS 25 1HZ LYS 25 -18.057 16.680 12.667 230 HZ3 LYS 25 2HZ LYS 25 -18.701 16.779 11.154 231 H GLU 26 H GLU 26 -11.850 12.396 7.373 232 HA GLU 26 HA GLU 26 -13.776 11.327 5.222 233 HB2 GLU 26 1HB GLU 26 -11.090 12.736 4.778 234 HB3 GLU 26 2HB GLU 26 -12.100 12.076 3.523 235 HG2 GLU 26 1HG GLU 26 -13.345 13.980 3.361 236 HG3 GLU 26 2HG GLU 26 -13.734 14.005 5.068 237 H LEU 27 H LEU 27 -10.335 11.015 6.232 238 HA LEU 27 HA LEU 27 -10.015 8.161 5.580 239 HG LEU 27 HG LEU 27 -8.245 7.502 8.356 240 HB2 LEU 27 1HB LEU 27 -8.090 9.609 6.107 241 HB3 LEU 27 2HB LEU 27 -8.670 9.877 7.738 242 HD11 LEU 27 1HD1 LEU 27 -6.995 5.956 6.787 243 HD12 LEU 27 2HD1 LEU 27 -8.634 6.289 6.224 244 HD13 LEU 27 3HD1 LEU 27 -7.258 7.108 5.453 245 HD21 LEU 27 3HD2 LEU 27 -6.416 9.189 8.608 246 HD22 LEU 27 1HD2 LEU 27 -5.734 7.596 8.217 247 HD23 LEU 27 2HD2 LEU 27 -5.840 8.850 6.960 248 H GLU 28 H GLU 28 -11.573 9.709 8.381 249 HA GLU 28 HA GLU 28 -12.481 7.445 9.915 250 HB2 GLU 28 1HB GLU 28 -12.915 9.915 10.304 251 HB3 GLU 28 2HB GLU 28 -13.982 9.948 8.905 252 HG2 GLU 28 1HG GLU 28 -15.439 8.150 10.252 253 HG3 GLU 28 2HG GLU 28 -14.440 8.593 11.634 254 H ARG 29 H ARG 29 -13.811 8.501 6.765 255 HA ARG 29 HA ARG 29 -15.767 6.209 6.625 256 HE ARG 29 HE ARG 29 -16.789 10.190 8.383 257 HB2 ARG 29 1HB ARG 29 -15.067 8.354 4.516 258 HB3 ARG 29 2HB ARG 29 -16.179 7.038 4.258 259 HG2 ARG 29 1HG ARG 29 -17.744 8.596 4.858 260 HG3 ARG 29 2HG ARG 29 -17.466 7.890 6.422 261 HD2 ARG 29 1HD ARG 29 -15.524 9.992 6.345 262 HD3 ARG 29 2HD ARG 29 -16.787 10.696 5.402 263 HH11 ARG 29 2HH1 ARG 29 -18.943 10.703 5.737 264 HH12 ARG 29 1HH1 ARG 29 -20.336 11.105 6.869 265 HH21 ARG 29 2HH2 ARG 29 -18.135 10.619 9.530 266 HH22 ARG 29 1HH2 ARG 29 -19.893 11.038 9.074 267 H ALA 30 H ALA 30 -12.642 6.959 4.977 268 HA ALA 30 HA ALA 30 -12.528 4.358 3.562 269 HB1 ALA 30 3HB ALA 30 -10.156 6.175 4.317 270 HB2 ALA 30 1HB ALA 30 -10.145 4.837 3.151 271 HB3 ALA 30 2HB ALA 30 -11.127 6.275 2.826 272 H LEU 31 H LEU 31 -11.178 5.238 6.800 273 HA LEU 31 HA LEU 31 -10.207 2.532 7.472 274 HG LEU 31 HG LEU 31 -9.893 2.207 9.963 275 HB2 LEU 31 1HB LEU 31 -9.489 4.670 8.520 276 HB3 LEU 31 2HB LEU 31 -11.054 4.886 9.239 277 HD11 LEU 31 1HD1 LEU 31 -8.039 3.048 11.416 278 HD12 LEU 31 2HD1 LEU 31 -7.707 3.371 9.704 279 HD13 LEU 31 3HD1 LEU 31 -8.248 4.693 10.767 280 HD21 LEU 31 3HD2 LEU 31 -10.395 3.030 12.301 281 HD22 LEU 31 1HD2 LEU 31 -10.816 4.629 11.655 282 HD23 LEU 31 2HD2 LEU 31 -11.789 3.204 11.218 283 H GLN 32 H GLN 32 -13.487 4.011 7.934 284 HA GLN 32 HA GLN 32 -14.720 1.637 9.139 285 HB2 GLN 32 1HB GLN 32 -15.605 4.013 9.073 286 HB3 GLN 32 2HB GLN 32 -15.927 3.840 7.355 287 HG2 GLN 32 1HG GLN 32 -17.584 2.004 7.862 288 HG3 GLN 32 2HG GLN 32 -17.237 2.121 9.578 289 HE21 GLN 32 1HE2 GLN 32 -18.056 3.996 10.699 290 HE22 GLN 32 2HE2 GLN 32 -19.278 5.104 9.880 291 H GLU 33 H GLU 33 -14.264 2.419 5.635 292 HA GLU 33 HA GLU 33 -15.367 -0.240 4.829 293 HB2 GLU 33 1HB GLU 33 -15.402 1.701 3.246 294 HB3 GLU 33 2HB GLU 33 -13.658 1.598 3.092 295 HG2 GLU 33 1HG GLU 33 -14.743 0.416 1.185 296 HG3 GLU 33 2HG GLU 33 -13.874 -0.760 2.153 297 H LEU 34 H LEU 34 -11.955 0.853 5.438 298 HA LEU 34 HA LEU 34 -10.772 -1.810 5.037 299 HG LEU 34 HG LEU 34 -9.638 1.035 4.585 300 HB2 LEU 34 1HB LEU 34 -9.915 0.323 7.053 301 HB3 LEU 34 2HB LEU 34 -8.986 -1.111 6.695 302 HD11 LEU 34 1HD1 LEU 34 -7.293 1.809 4.893 303 HD12 LEU 34 2HD1 LEU 34 -8.180 1.951 6.416 304 HD13 LEU 34 3HD1 LEU 34 -7.026 0.614 6.187 305 HD21 LEU 34 3HD2 LEU 34 -9.128 -1.222 3.568 306 HD22 LEU 34 1HD2 LEU 34 -7.837 -0.061 3.230 307 HD23 LEU 34 2HD2 LEU 34 -7.604 -1.303 4.484 308 H GLU 35 H GLU 35 -12.238 -0.514 8.047 309 HA GLU 35 HA GLU 35 -12.218 -2.867 9.721 310 HB2 GLU 35 1HB GLU 35 -13.010 -0.473 10.259 311 HB3 GLU 35 2HB GLU 35 -14.454 -0.779 9.340 312 HG2 GLU 35 1HG GLU 35 -14.962 -2.754 11.008 313 HG3 GLU 35 2HG GLU 35 -13.650 -2.108 11.995 314 H LYS 36 H LYS 36 -14.827 -1.975 7.426 315 HA LYS 36 HA LYS 36 -16.164 -4.606 7.599 316 HB2 LYS 36 1HB LYS 36 -17.301 -2.460 6.992 317 HB3 LYS 36 2HB LYS 36 -16.472 -2.471 5.427 318 HG2 LYS 36 1HG LYS 36 -17.669 -4.586 4.774 319 HG3 LYS 36 2HG LYS 36 -18.267 -4.796 6.405 320 HD2 LYS 36 1HD LYS 36 -20.120 -4.058 5.175 321 HD3 LYS 36 2HD LYS 36 -19.703 -2.707 6.195 322 HE2 LYS 36 1HE LYS 36 -18.877 -2.971 3.204 323 HE3 LYS 36 2HE LYS 36 -20.383 -2.212 3.710 324 HZ1 LYS 36 3HZ LYS 36 -18.034 -0.812 3.431 325 HZ2 LYS 36 1HZ LYS 36 -19.219 -0.317 4.499 326 HZ3 LYS 36 2HZ LYS 36 -17.933 -1.196 5.021 327 H ALA 37 H ALA 37 -13.847 -3.400 5.048 328 HA ALA 37 HA ALA 37 -13.722 -5.790 3.435 329 HB1 ALA 37 3HB ALA 37 -11.504 -4.954 2.739 330 HB2 ALA 37 1HB ALA 37 -12.675 -3.621 2.843 331 HB3 ALA 37 2HB ALA 37 -11.462 -3.838 4.128 332 H LEU 38 H LEU 38 -11.911 -5.218 6.483 333 HA LEU 38 HA LEU 38 -10.547 -7.809 6.628 334 HG LEU 38 HG LEU 38 -8.783 -7.308 8.446 335 HB2 LEU 38 1HB LEU 38 -11.374 -5.649 8.616 336 HB3 LEU 38 2HB LEU 38 -11.069 -7.214 9.287 337 HD11 LEU 38 1HD1 LEU 38 -8.987 -5.968 6.289 338 HD12 LEU 38 2HD1 LEU 38 -9.126 -4.479 7.249 339 HD13 LEU 38 3HD1 LEU 38 -7.635 -5.444 7.299 340 HD21 LEU 38 3HD2 LEU 38 -9.353 -4.584 9.798 341 HD22 LEU 38 1HD2 LEU 38 -9.241 -6.138 10.648 342 HD23 LEU 38 2HD2 LEU 38 -7.810 -5.476 9.839 343 H ALA 39 H ALA 39 -13.853 -7.061 7.766 344 HA ALA 39 HA ALA 39 -14.481 -9.935 8.410 345 HB1 ALA 39 3HB ALA 39 -16.323 -7.463 8.153 346 HB2 ALA 39 1HB ALA 39 -16.800 -9.054 8.788 347 HB3 ALA 39 2HB ALA 39 -15.596 -8.086 9.656 348 H ARG 40 H ARG 40 -15.497 -7.742 5.756 349 HA ARG 40 HA ARG 40 -17.076 -9.579 4.160 350 HE ARG 40 HE ARG 40 -16.078 -4.591 1.789 351 HB2 ARG 40 1HB ARG 40 -16.940 -7.038 4.000 352 HB3 ARG 40 2HB ARG 40 -15.325 -7.188 3.377 353 HG2 ARG 40 1HG ARG 40 -16.758 -8.690 1.485 354 HG3 ARG 40 2HG ARG 40 -17.981 -7.544 1.975 355 HD2 ARG 40 1HD ARG 40 -15.120 -6.733 1.083 356 HD3 ARG 40 2HD ARG 40 -16.389 -6.973 -0.063 357 HH11 ARG 40 2HH1 ARG 40 -18.283 -6.178 -0.383 358 HH12 ARG 40 1HH1 ARG 40 -19.040 -4.577 -0.852 359 HH21 ARG 40 2HH2 ARG 40 -16.933 -2.828 1.268 360 HH22 ARG 40 1HH2 ARG 40 -18.293 -2.788 0.030 361 H ALA 41 H ALA 41 -13.557 -9.033 3.921 362 HA ALA 41 HA ALA 41 -13.287 -11.134 1.741 363 HB1 ALA 41 3HB ALA 41 -12.043 -8.902 1.674 364 HB2 ALA 41 1HB ALA 41 -11.113 -9.416 3.106 365 HB3 ALA 41 2HB ALA 41 -10.986 -10.321 1.576 366 H GLY 42 H GLY 42 -12.737 -11.064 5.219 367 HA2 GLY 42 1HA GLY 42 -12.173 -12.979 6.640 368 HA3 GLY 42 2HA GLY 42 -11.839 -13.946 5.222 369 H ALA 43 H ALA 43 -10.426 -11.045 6.842 370 HA ALA 43 HA ALA 43 -7.702 -11.722 5.991 371 HB1 ALA 43 3HB ALA 43 -8.769 -9.631 7.979 372 HB2 ALA 43 1HB ALA 43 -7.163 -9.658 7.230 373 HB3 ALA 43 2HB ALA 43 -8.594 -9.412 6.215 374 H ARG 44 H ARG 44 -6.617 -13.396 6.832 375 HA ARG 44 HA ARG 44 -6.657 -14.221 9.665 376 HE ARG 44 HE ARG 44 -2.289 -15.676 8.282 377 HB2 ARG 44 1HB ARG 44 -6.061 -15.733 7.693 378 HB3 ARG 44 2HB ARG 44 -4.538 -14.874 7.530 379 HG2 ARG 44 1HG ARG 44 -4.105 -15.579 10.087 380 HG3 ARG 44 2HG ARG 44 -5.509 -16.602 9.902 381 HD2 ARG 44 1HD ARG 44 -3.587 -17.992 9.546 382 HD3 ARG 44 2HD ARG 44 -4.337 -17.797 7.950 383 HH11 ARG 44 2HH1 ARG 44 -2.408 -19.166 7.777 384 HH12 ARG 44 1HH1 ARG 44 -0.804 -19.025 6.839 385 HH21 ARG 44 2HH2 ARG 44 -0.522 -15.717 7.238 386 HH22 ARG 44 1HH2 ARG 44 0.103 -17.350 6.593 387 H ASN 45 H ASN 45 -4.081 -12.376 7.871 388 HA ASN 45 HA ASN 45 -3.316 -11.123 10.495 389 HB2 ASN 45 1HB ASN 45 -0.922 -11.644 10.362 390 HB3 ASN 45 2HB ASN 45 -1.913 -13.061 10.550 391 HD21 ASN 45 1HD2 ASN 45 0.357 -11.527 8.455 392 HD22 ASN 45 2HD2 ASN 45 0.389 -12.937 7.272 393 H VAL 46 H VAL 46 -2.662 -9.074 10.385 394 HA VAL 46 HA VAL 46 -2.636 -7.787 7.598 395 HB VAL 46 HB VAL 46 -4.455 -6.744 9.836 396 HG11 VAL 46 1HG1 VAL 46 -3.697 -5.014 8.086 397 HG12 VAL 46 2HG1 VAL 46 -4.380 -6.027 6.812 398 HG13 VAL 46 3HG1 VAL 46 -5.438 -5.300 8.046 399 HG21 VAL 46 3HG2 VAL 46 -6.434 -7.523 8.461 400 HG22 VAL 46 1HG2 VAL 46 -5.326 -8.374 7.354 401 HG23 VAL 46 2HG2 VAL 46 -5.489 -8.892 9.044 402 H GLN 47 H GLN 47 -1.199 -6.252 7.379 403 HA GLN 47 HA GLN 47 0.298 -5.136 9.836 404 HB2 GLN 47 1HB GLN 47 1.281 -5.302 6.927 405 HB3 GLN 47 2HB GLN 47 2.110 -4.526 8.247 406 HG2 GLN 47 1HG GLN 47 3.241 -6.577 8.133 407 HG3 GLN 47 2HG GLN 47 2.180 -6.796 9.491 408 HE21 GLN 47 1HE2 GLN 47 2.534 -7.588 6.030 409 HE22 GLN 47 2HE2 GLN 47 1.622 -9.173 6.210 410 H ILE 48 H ILE 48 -0.868 -3.393 10.404 411 HA ILE 48 HA ILE 48 -1.879 -1.383 8.349 412 HB ILE 48 HB ILE 48 -2.302 -1.530 11.397 413 HG12 ILE 48 1HG1 ILE 48 -4.814 -1.856 10.654 414 HG13 ILE 48 2HG1 ILE 48 -4.185 -2.326 9.087 415 HG21 ILE 48 1HG2 ILE 48 -4.001 0.269 11.142 416 HG22 ILE 48 2HG2 ILE 48 -2.428 0.853 10.610 417 HG23 ILE 48 3HG2 ILE 48 -3.661 0.411 9.413 418 HD11 ILE 48 3HD1 ILE 48 -3.038 -4.303 10.150 419 HD12 ILE 48 1HD1 ILE 48 -3.409 -3.708 11.767 420 HD13 ILE 48 2HD1 ILE 48 -4.718 -4.261 10.693 421 H THR 49 H THR 49 -0.213 -0.035 7.685 422 HA THR 49 HA THR 49 1.613 1.148 9.848 423 HB THR 49 HB THR 49 2.375 0.794 6.938 424 HG1 THR 49 HG1 THR 49 2.029 -1.141 8.059 425 HG21 THR 49 3HG2 THR 49 4.711 1.091 7.845 426 HG22 THR 49 1HG2 THR 49 3.732 2.554 8.095 427 HG23 THR 49 2HG2 THR 49 4.047 1.452 9.460 428 H ILE 50 H ILE 50 0.881 3.056 10.386 429 HA ILE 50 HA ILE 50 -0.172 4.959 8.219 430 HB ILE 50 HB ILE 50 -0.520 5.509 11.173 431 HG12 ILE 50 1HG1 ILE 50 -1.724 3.439 10.843 432 HG13 ILE 50 2HG1 ILE 50 -2.806 4.788 11.142 433 HG21 ILE 50 1HG2 ILE 50 -0.719 7.521 9.778 434 HG22 ILE 50 2HG2 ILE 50 -1.833 6.714 8.656 435 HG23 ILE 50 3HG2 ILE 50 -2.344 7.065 10.320 436 HD11 ILE 50 3HD1 ILE 50 -2.365 3.602 8.324 437 HD12 ILE 50 1HD1 ILE 50 -3.668 3.121 9.438 438 HD13 ILE 50 2HD1 ILE 50 -3.617 4.782 8.831 439 H SER 51 H SER 51 1.325 6.248 7.436 440 HA SER 51 HA SER 51 3.909 6.930 8.900 441 HG SER 51 HG SER 51 4.975 8.258 5.757 442 HB2 SER 51 1HB SER 51 3.912 6.214 6.493 443 HB3 SER 51 2HB SER 51 2.931 7.624 6.076 444 H ALA 52 H ALA 52 3.203 8.257 10.571 445 HA ALA 52 HA ALA 52 1.335 10.549 10.032 446 HB1 ALA 52 3HB ALA 52 0.969 8.883 11.879 447 HB2 ALA 52 1HB ALA 52 2.468 9.410 12.673 448 HB3 ALA 52 2HB ALA 52 1.106 10.533 12.514 449 H GLU 53 H GLU 53 1.558 12.614 10.823 450 HA GLU 53 HA GLU 53 4.093 13.921 10.222 451 HB2 GLU 53 1HB GLU 53 2.881 15.999 10.469 452 HB3 GLU 53 2HB GLU 53 1.902 14.835 9.626 453 HG2 GLU 53 1HG GLU 53 0.749 14.376 11.998 454 HG3 GLU 53 2HG GLU 53 1.548 15.847 12.520 455 H ASN 54 H ASN 54 2.664 13.310 13.388 456 HA ASN 54 HA ASN 54 5.156 14.336 14.782 457 HB2 ASN 54 1HB ASN 54 2.350 15.590 15.279 458 HB3 ASN 54 2HB ASN 54 3.631 15.682 16.461 459 HD21 ASN 54 1HD2 ASN 54 2.406 17.303 13.753 460 HD22 ASN 54 2HD2 ASN 54 3.874 18.402 13.592 461 H ASP 55 H ASP 55 5.274 13.770 17.043 462 HA ASP 55 HA ASP 55 4.516 11.055 17.678 463 HB2 ASP 55 1HB ASP 55 6.480 12.302 18.609 464 HB3 ASP 55 2HB ASP 55 5.414 13.340 19.552 465 H GLU 56 H GLU 56 2.954 14.046 19.030 466 HA GLU 56 HA GLU 56 0.803 12.750 20.479 467 HB2 GLU 56 1HB GLU 56 0.852 15.492 19.071 468 HB3 GLU 56 2HB GLU 56 -0.452 14.968 20.118 469 HG2 GLU 56 1HG GLU 56 1.070 14.815 22.095 470 HG3 GLU 56 2HG GLU 56 2.466 15.230 21.104 471 H GLN 57 H GLN 57 0.794 13.731 17.083 472 HA GLN 57 HA GLN 57 -1.887 12.655 16.332 473 HB2 GLN 57 1HB GLN 57 0.634 13.317 14.681 474 HB3 GLN 57 2HB GLN 57 -0.811 12.688 13.941 475 HG2 GLN 57 1HG GLN 57 -0.857 15.298 15.594 476 HG3 GLN 57 2HG GLN 57 -0.467 15.268 13.899 477 HE21 GLN 57 1HE2 GLN 57 -2.163 15.039 12.377 478 HE22 GLN 57 2HE2 GLN 57 -3.920 14.943 12.963 479 H ALA 58 H ALA 58 1.419 11.220 16.060 480 HA ALA 58 HA ALA 58 0.579 8.563 15.207 481 HB1 ALA 58 3HB ALA 58 3.077 9.403 16.817 482 HB2 ALA 58 1HB ALA 58 2.883 7.912 15.877 483 HB3 ALA 58 2HB ALA 58 2.921 9.474 15.046 484 H LYS 59 H LYS 59 1.035 9.737 18.600 485 HA LYS 59 HA LYS 59 0.228 7.307 19.992 486 HB2 LYS 59 1HB LYS 59 1.244 9.308 21.045 487 HB3 LYS 59 2HB LYS 59 -0.180 10.268 20.758 488 HG2 LYS 59 1HG LYS 59 -0.219 7.725 22.535 489 HG3 LYS 59 2HG LYS 59 0.278 9.282 23.135 490 HD2 LYS 59 1HD LYS 59 -1.833 9.929 23.581 491 HD3 LYS 59 2HD LYS 59 -2.263 9.846 21.899 492 HE2 LYS 59 1HE LYS 59 -2.794 7.338 22.177 493 HE3 LYS 59 2HE LYS 59 -2.415 7.468 23.892 494 HZ1 LYS 59 3HZ LYS 59 -4.262 9.200 24.051 495 HZ2 LYS 59 1HZ LYS 59 -4.617 9.065 22.485 496 HZ3 LYS 59 2HZ LYS 59 -4.893 7.757 23.467 497 H GLU 60 H GLU 60 -1.969 9.983 18.962 498 HA GLU 60 HA GLU 60 -4.395 8.501 19.754 499 HB2 GLU 60 1HB GLU 60 -4.256 10.864 17.799 500 HB3 GLU 60 2HB GLU 60 -5.704 10.208 18.546 501 HG2 GLU 60 1HG GLU 60 -3.442 11.708 19.986 502 HG3 GLU 60 2HG GLU 60 -5.079 12.266 19.729 503 H LEU 61 H LEU 61 -2.867 8.779 16.536 504 HA LEU 61 HA LEU 61 -4.674 6.918 15.131 505 HG LEU 61 HG LEU 61 -3.524 9.422 14.175 506 HB2 LEU 61 1HB LEU 61 -1.704 7.553 14.688 507 HB3 LEU 61 2HB LEU 61 -2.619 6.533 13.609 508 HD11 LEU 61 1HD1 LEU 61 -1.555 8.452 12.004 509 HD12 LEU 61 2HD1 LEU 61 -2.311 10.066 12.055 510 HD13 LEU 61 3HD1 LEU 61 -1.207 9.559 13.345 511 HD21 LEU 61 3HD2 LEU 61 -5.253 7.958 13.095 512 HD22 LEU 61 1HD2 LEU 61 -4.668 9.164 11.938 513 HD23 LEU 61 2HD2 LEU 61 -4.103 7.480 11.827 514 H LEU 62 H LEU 62 -1.649 6.161 16.950 515 HA LEU 62 HA LEU 62 -1.660 3.258 16.724 516 HG LEU 62 HG LEU 62 -0.599 2.276 18.967 517 HB2 LEU 62 1HB LEU 62 0.222 4.599 17.509 518 HB3 LEU 62 2HB LEU 62 -0.655 5.245 18.846 519 HD11 LEU 62 1HD1 LEU 62 2.112 3.787 19.072 520 HD12 LEU 62 2HD1 LEU 62 1.868 2.096 19.551 521 HD13 LEU 62 3HD1 LEU 62 1.651 2.570 17.858 522 HD21 LEU 62 3HD2 LEU 62 0.142 2.683 21.312 523 HD22 LEU 62 1HD2 LEU 62 0.337 4.422 20.973 524 HD23 LEU 62 2HD2 LEU 62 -1.272 3.667 20.909 525 H GLU 63 H GLU 63 -2.948 5.076 19.461 526 HA GLU 63 HA GLU 63 -4.476 2.948 20.690 527 HB2 GLU 63 1HB GLU 63 -3.901 5.307 21.638 528 HB3 GLU 63 2HB GLU 63 -5.272 5.911 20.733 529 HG2 GLU 63 1HG GLU 63 -6.530 3.840 22.152 530 HG3 GLU 63 2HG GLU 63 -5.183 4.127 23.232 531 H LEU 64 H LEU 64 -5.739 5.314 18.287 532 HA LEU 64 HA LEU 64 -8.418 4.205 17.957 533 HG LEU 64 HG LEU 64 -8.687 6.754 15.130 534 HB2 LEU 64 1HB LEU 64 -7.700 6.403 17.176 535 HB3 LEU 64 2HB LEU 64 -6.594 5.715 16.028 536 HD11 LEU 64 1HD1 LEU 64 -8.438 3.826 14.213 537 HD12 LEU 64 2HD1 LEU 64 -9.013 5.224 13.284 538 HD13 LEU 64 3HD1 LEU 64 -7.308 5.125 13.761 539 HD21 LEU 64 3HD2 LEU 64 -10.186 4.253 16.130 540 HD22 LEU 64 1HD2 LEU 64 -10.350 5.893 16.808 541 HD23 LEU 64 2HD2 LEU 64 -10.852 5.567 15.135 542 H ILE 65 H ILE 65 -5.450 3.241 16.142 543 HA ILE 65 HA ILE 65 -6.749 1.021 14.699 544 HB ILE 65 HB ILE 65 -3.813 1.229 15.471 545 HG12 ILE 65 1HG1 ILE 65 -4.815 1.982 12.654 546 HG13 ILE 65 2HG1 ILE 65 -4.880 3.173 13.916 547 HG21 ILE 65 1HG2 ILE 65 -5.190 -0.471 13.269 548 HG22 ILE 65 2HG2 ILE 65 -3.429 -0.287 13.434 549 HG23 ILE 65 3HG2 ILE 65 -4.355 -1.071 14.716 550 HD11 ILE 65 3HD1 ILE 65 -2.735 3.511 12.903 551 HD12 ILE 65 1HD1 ILE 65 -2.397 2.756 14.452 552 HD13 ILE 65 2HD1 ILE 65 -2.303 1.781 12.962 553 H ALA 66 H ALA 66 -4.869 0.937 17.830 554 HA ALA 66 HA ALA 66 -5.411 -1.850 18.494 555 HB1 ALA 66 3HB ALA 66 -4.849 -1.145 20.822 556 HB2 ALA 66 1HB ALA 66 -3.741 -0.390 19.661 557 HB3 ALA 66 2HB ALA 66 -5.054 0.569 20.385 558 H ARG 67 H ARG 67 -7.463 0.989 19.332 559 HA ARG 67 HA ARG 67 -9.771 -0.495 20.424 560 HE ARG 67 HE ARG 67 -11.375 4.097 20.253 561 HB2 ARG 67 1HB ARG 67 -9.465 2.211 18.989 562 HB3 ARG 67 2HB ARG 67 -11.033 1.647 19.508 563 HG2 ARG 67 1HG ARG 67 -10.596 1.870 21.820 564 HG3 ARG 67 2HG ARG 67 -8.871 1.657 21.641 565 HD2 ARG 67 1HD ARG 67 -9.373 3.939 22.347 566 HD3 ARG 67 2HD ARG 67 -8.503 3.905 20.823 567 HH11 ARG 67 2HH1 ARG 67 -8.790 6.135 21.619 568 HH12 ARG 67 1HH1 ARG 67 -9.449 7.581 20.720 569 HH21 ARG 67 2HH2 ARG 67 -12.100 5.858 19.385 570 HH22 ARG 67 1HH2 ARG 67 -11.223 7.442 19.606 571 H LEU 68 H LEU 68 -9.147 0.445 16.983 572 HA LEU 68 HA LEU 68 -11.515 -0.830 15.860 573 HG LEU 68 HG LEU 68 -10.724 -1.538 13.177 574 HB2 LEU 68 1HB LEU 68 -9.887 0.927 14.824 575 HB3 LEU 68 2HB LEU 68 -8.755 -0.372 14.591 576 HD11 LEU 68 1HD1 LEU 68 -11.731 1.394 13.320 577 HD12 LEU 68 2HD1 LEU 68 -12.315 0.174 12.180 578 HD13 LEU 68 3HD1 LEU 68 -12.584 -0.050 13.905 579 HD21 LEU 68 3HD2 LEU 68 -10.042 -0.244 11.136 580 HD22 LEU 68 1HD2 LEU 68 -9.263 0.984 12.165 581 HD23 LEU 68 2HD2 LEU 68 -8.646 -0.683 12.142 582 H LEU 69 H LEU 69 -8.187 -2.210 16.089 583 HA LEU 69 HA LEU 69 -8.993 -4.844 14.950 584 HG LEU 69 HG LEU 69 -6.683 -2.699 14.427 585 HB2 LEU 69 1HB LEU 69 -6.457 -4.163 16.497 586 HB3 LEU 69 2HB LEU 69 -6.727 -5.585 15.509 587 HD11 LEU 69 1HD1 LEU 69 -4.446 -3.597 15.296 588 HD12 LEU 69 2HD1 LEU 69 -4.523 -4.824 14.008 589 HD13 LEU 69 3HD1 LEU 69 -4.479 -3.107 13.596 590 HD21 LEU 69 3HD2 LEU 69 -6.811 -5.354 12.845 591 HD22 LEU 69 1HD2 LEU 69 -8.087 -4.115 12.939 592 HD23 LEU 69 2HD2 LEU 69 -6.555 -3.733 12.147 593 H GLN 70 H GLN 70 -8.715 -3.759 18.349 594 HA GLN 70 HA GLN 70 -9.711 -6.286 19.547 595 HB2 GLN 70 1HB GLN 70 -9.906 -3.363 20.478 596 HB3 GLN 70 2HB GLN 70 -10.546 -4.702 21.413 597 HG2 GLN 70 1HG GLN 70 -8.307 -5.754 21.653 598 HG3 GLN 70 2HG GLN 70 -7.562 -4.560 20.611 599 HE21 GLN 70 1HE2 GLN 70 -7.592 -2.310 21.394 600 HE22 GLN 70 2HE2 GLN 70 -7.483 -2.077 23.231 601 H LYS 71 H LYS 71 -11.547 -3.458 18.191 602 HA LYS 71 HA LYS 71 -14.232 -4.471 18.712 603 HB2 LYS 71 1HB LYS 71 -13.672 -2.131 17.947 604 HB3 LYS 71 2HB LYS 71 -13.251 -2.751 16.365 605 HG2 LYS 71 1HG LYS 71 -15.704 -3.620 16.157 606 HG3 LYS 71 2HG LYS 71 -16.064 -2.733 17.633 607 HD2 LYS 71 1HD LYS 71 -15.386 -0.573 16.529 608 HD3 LYS 71 2HD LYS 71 -14.804 -1.442 15.109 609 HE2 LYS 71 1HE LYS 71 -17.158 -2.293 14.634 610 HE3 LYS 71 2HE LYS 71 -17.775 -1.388 16.027 611 HZ1 LYS 71 3HZ LYS 71 -17.009 0.723 14.904 612 HZ2 LYS 71 1HZ LYS 71 -16.235 -0.139 13.721 613 HZ3 LYS 71 2HZ LYS 71 -17.851 -0.146 13.752 614 H LEU 72 H LEU 72 -12.241 -5.115 15.761 615 HA LEU 72 HA LEU 72 -14.164 -7.124 14.664 616 HG LEU 72 HG LEU 72 -11.858 -6.341 11.750 617 HB2 LEU 72 1HB LEU 72 -11.164 -6.709 14.130 618 HB3 LEU 72 2HB LEU 72 -12.099 -7.960 13.359 619 HD11 LEU 72 1HD1 LEU 72 -14.710 -5.788 12.767 620 HD12 LEU 72 2HD1 LEU 72 -14.113 -5.645 11.100 621 HD13 LEU 72 3HD1 LEU 72 -14.216 -7.243 11.865 622 HD21 LEU 72 3HD2 LEU 72 -11.183 -4.406 13.218 623 HD22 LEU 72 1HD2 LEU 72 -12.261 -3.959 11.888 624 HD23 LEU 72 2HD2 LEU 72 -12.905 -4.079 13.546 625 H GLY 73 H GLY 73 -11.293 -7.482 16.739 626 HA2 GLY 73 1HA GLY 73 -11.442 -9.272 18.524 627 HA3 GLY 73 2HA GLY 73 -12.135 -10.391 17.371 628 H TYR 74 H TYR 74 -9.217 -8.321 17.233 629 HA TYR 74 HA TYR 74 -7.512 -10.768 16.527 630 HD1 TYR 74 HD1 TYR 74 -9.024 -7.514 14.665 631 HD2 TYR 74 HD2 TYR 74 -5.930 -10.377 13.825 632 HE1 TYR 74 HE1 TYR 74 -9.779 -7.653 12.336 633 HE2 TYR 74 HE2 TYR 74 -6.675 -10.464 11.469 634 HH TYR 74 HH TYR 74 -9.574 -8.755 10.409 635 HB2 TYR 74 1HB TYR 74 -7.030 -7.748 16.204 636 HB3 TYR 74 2HB TYR 74 -5.838 -8.959 15.886 637 H LYS 75 H LYS 75 -7.066 -11.657 18.507 638 HA LYS 75 HA LYS 75 -6.232 -10.084 20.842 639 HB2 LYS 75 1HB LYS 75 -6.058 -12.092 22.064 640 HB3 LYS 75 2HB LYS 75 -7.498 -12.146 21.078 641 HG2 LYS 75 1HG LYS 75 -6.317 -13.691 19.431 642 HG3 LYS 75 2HG LYS 75 -4.866 -13.661 20.408 643 HD2 LYS 75 1HD LYS 75 -7.626 -14.659 21.402 644 HD3 LYS 75 2HD LYS 75 -6.399 -15.697 20.690 645 HE2 LYS 75 1HE LYS 75 -4.754 -15.081 22.545 646 HE3 LYS 75 2HE LYS 75 -5.970 -14.042 23.287 647 HZ1 LYS 75 3HZ LYS 75 -7.457 -16.032 23.522 648 HZ2 LYS 75 1HZ LYS 75 -6.336 -17.009 22.835 649 HZ3 LYS 75 2HZ LYS 75 -6.033 -16.315 24.294 650 H ASP 76 H ASP 76 -4.120 -11.478 18.401 651 HA ASP 76 HA ASP 76 -1.691 -11.037 20.228 652 HB2 ASP 76 1HB ASP 76 -1.964 -13.325 19.218 653 HB3 ASP 76 2HB ASP 76 -1.864 -12.631 17.608 654 H ILE 77 H ILE 77 -1.134 -8.992 20.052 655 HA ILE 77 HA ILE 77 -1.326 -7.503 17.369 656 HB ILE 77 HB ILE 77 -1.761 -6.214 20.126 657 HG12 ILE 77 1HG1 ILE 77 -4.092 -7.018 18.274 658 HG13 ILE 77 2HG1 ILE 77 -3.632 -7.901 19.702 659 HG21 ILE 77 1HG2 ILE 77 -1.077 -4.707 18.133 660 HG22 ILE 77 2HG2 ILE 77 -2.596 -5.146 17.338 661 HG23 ILE 77 3HG2 ILE 77 -2.614 -4.263 18.878 662 HD11 ILE 77 3HD1 ILE 77 -5.531 -6.457 20.228 663 HD12 ILE 77 1HD1 ILE 77 -4.126 -5.906 21.167 664 HD13 ILE 77 2HD1 ILE 77 -4.661 -4.997 19.725 665 H ASN 78 H ASN 78 0.740 -7.270 16.661 666 HA ASN 78 HA ASN 78 3.006 -6.598 18.560 667 HB2 ASN 78 1HB ASN 78 3.336 -8.252 16.763 668 HB3 ASN 78 2HB ASN 78 2.935 -7.072 15.537 669 HD21 ASN 78 1HD2 ASN 78 5.086 -7.533 14.586 670 HD22 ASN 78 2HD2 ASN 78 6.555 -6.882 15.478 671 H VAL 79 H VAL 79 2.702 -4.624 19.325 672 HA VAL 79 HA VAL 79 1.900 -2.260 17.614 673 HB VAL 79 HB VAL 79 2.280 -2.575 20.651 674 HG11 VAL 79 1HG1 VAL 79 2.579 -0.170 20.070 675 HG12 VAL 79 2HG1 VAL 79 1.050 -0.162 19.160 676 HG13 VAL 79 3HG1 VAL 79 1.051 -0.407 20.921 677 HG21 VAL 79 3HG2 VAL 79 0.281 -3.861 19.868 678 HG22 VAL 79 1HG2 VAL 79 -0.234 -2.451 20.796 679 HG23 VAL 79 2HG2 VAL 79 -0.353 -2.430 19.019 680 H ARG 80 H ARG 80 3.673 -1.538 16.404 681 HA ARG 80 HA ARG 80 6.022 -0.383 18.032 682 HE ARG 80 HE ARG 80 10.152 0.009 14.699 683 HB2 ARG 80 1HB ARG 80 6.781 -2.400 16.862 684 HB3 ARG 80 2HB ARG 80 6.145 -1.827 15.325 685 HG2 ARG 80 1HG ARG 80 7.787 0.061 15.275 686 HG3 ARG 80 2HG ARG 80 8.410 -0.370 16.866 687 HD2 ARG 80 1HD ARG 80 9.276 -2.531 16.039 688 HD3 ARG 80 2HD ARG 80 8.494 -2.312 14.459 689 HH11 ARG 80 2HH1 ARG 80 10.769 -3.403 14.768 690 HH12 ARG 80 1HH1 ARG 80 12.387 -3.203 13.933 691 HH21 ARG 80 2HH2 ARG 80 11.980 0.223 13.788 692 HH22 ARG 80 1HH2 ARG 80 13.000 -1.235 13.356 693 H VAL 81 H VAL 81 5.462 1.796 18.089 694 HA VAL 81 HA VAL 81 5.097 3.229 15.476 695 HB VAL 81 HB VAL 81 3.882 4.064 17.438 696 HG11 VAL 81 1HG1 VAL 81 5.596 3.828 19.301 697 HG12 VAL 81 2HG1 VAL 81 6.578 5.102 18.540 698 HG13 VAL 81 3HG1 VAL 81 4.962 5.484 19.166 699 HG21 VAL 81 3HG2 VAL 81 4.382 5.507 15.461 700 HG22 VAL 81 1HG2 VAL 81 4.304 6.451 16.973 701 HG23 VAL 81 2HG2 VAL 81 5.881 6.064 16.240 702 H ASN 82 H ASN 82 6.795 3.518 14.213 703 HA ASN 82 HA ASN 82 9.667 3.402 15.345 704 HB2 ASN 82 1HB ASN 82 8.901 1.729 13.535 705 HB3 ASN 82 2HB ASN 82 8.817 3.057 12.413 706 HD21 ASN 82 1HD2 ASN 82 10.651 3.398 11.242 707 HD22 ASN 82 2HD2 ASN 82 12.332 2.951 11.853 708 H GLY 83 H GLY 83 9.402 5.489 16.190 709 HA2 GLY 83 1HA GLY 83 9.979 7.880 16.148 710 HA3 GLY 83 2HA GLY 83 10.098 7.861 14.399 711 H THR 84 H THR 84 8.262 8.175 13.210 712 HA THR 84 HA THR 84 5.561 8.507 14.640 713 HB THR 84 HB THR 84 4.767 10.140 13.129 714 HG1 THR 84 HG1 THR 84 5.681 10.688 11.360 715 HG21 THR 84 3HG2 THR 84 6.099 12.142 13.639 716 HG22 THR 84 1HG2 THR 84 6.054 11.081 15.078 717 HG23 THR 84 2HG2 THR 84 7.513 11.154 14.062 718 H GLU 85 H GLU 85 7.147 6.398 12.545 719 HA GLU 85 HA GLU 85 4.875 5.764 10.687 720 HB2 GLU 85 1HB GLU 85 7.315 4.106 11.485 721 HB3 GLU 85 2HB GLU 85 6.229 3.687 10.183 722 HG2 GLU 85 1HG GLU 85 7.062 5.642 8.824 723 HG3 GLU 85 2HG GLU 85 8.065 6.174 10.178 724 H VAL 86 H VAL 86 3.024 5.106 11.758 725 HA VAL 86 HA VAL 86 3.149 3.486 14.305 726 HB VAL 86 HB VAL 86 0.754 4.566 12.739 727 HG11 VAL 86 1HG1 VAL 86 -0.551 4.233 14.847 728 HG12 VAL 86 2HG1 VAL 86 0.031 2.695 14.209 729 HG13 VAL 86 3HG1 VAL 86 0.849 3.424 15.609 730 HG21 VAL 86 3HG2 VAL 86 2.014 5.738 15.311 731 HG22 VAL 86 1HG2 VAL 86 2.173 6.450 13.688 732 HG23 VAL 86 2HG2 VAL 86 0.582 6.350 14.454 733 H LYS 87 H LYS 87 3.968 1.445 13.712 734 HA LYS 87 HA LYS 87 2.588 -0.082 11.469 735 HB2 LYS 87 1HB LYS 87 5.208 0.400 11.705 736 HB3 LYS 87 2HB LYS 87 5.196 -0.914 12.838 737 HG2 LYS 87 1HG LYS 87 3.710 -1.763 10.398 738 HG3 LYS 87 2HG LYS 87 5.094 -0.867 9.883 739 HD2 LYS 87 1HD LYS 87 6.073 -2.917 9.902 740 HD3 LYS 87 2HD LYS 87 6.482 -2.484 11.557 741 HE2 LYS 87 1HE LYS 87 4.399 -3.770 12.378 742 HE3 LYS 87 2HE LYS 87 3.964 -4.115 10.705 743 HZ1 LYS 87 3HZ LYS 87 6.384 -5.161 10.589 744 HZ2 LYS 87 1HZ LYS 87 6.257 -5.284 12.231 745 HZ3 LYS 87 2HZ LYS 87 5.193 -6.070 11.251 746 H ILE 88 H ILE 88 0.797 -0.941 12.363 747 HA ILE 88 HA ILE 88 1.011 -2.549 14.978 748 HB ILE 88 HB ILE 88 -1.563 -1.544 13.715 749 HG12 ILE 88 1HG1 ILE 88 -0.426 0.478 14.309 750 HG13 ILE 88 2HG1 ILE 88 -1.729 0.209 15.437 751 HG21 ILE 88 1HG2 ILE 88 -2.560 -2.021 15.994 752 HG22 ILE 88 2HG2 ILE 88 -1.919 -3.485 15.226 753 HG23 ILE 88 3HG2 ILE 88 -1.004 -2.695 16.528 754 HD11 ILE 88 3HD1 ILE 88 1.276 -0.236 16.042 755 HD12 ILE 88 1HD1 ILE 88 0.243 1.082 16.642 756 HD13 ILE 88 2HD1 ILE 88 -0.046 -0.583 17.190 757 H GLU 89 H GLU 89 1.306 -4.597 14.602 758 HA GLU 89 HA GLU 89 0.283 -5.945 12.033 759 HB2 GLU 89 1HB GLU 89 2.592 -5.626 11.999 760 HB3 GLU 89 2HB GLU 89 2.859 -6.100 13.657 761 HG2 GLU 89 1HG GLU 89 2.357 -8.518 13.075 762 HG3 GLU 89 2HG GLU 89 2.073 -8.068 11.392 763 H VAL 90 H VAL 90 -1.458 -7.101 12.432 764 HA VAL 90 HA VAL 90 -1.676 -8.701 15.040 765 HB VAL 90 HB VAL 90 -4.131 -8.852 14.622 766 HG11 VAL 90 1HG1 VAL 90 -3.236 -7.403 16.328 767 HG12 VAL 90 2HG1 VAL 90 -2.995 -6.067 15.181 768 HG13 VAL 90 3HG1 VAL 90 -4.643 -6.621 15.604 769 HG21 VAL 90 3HG2 VAL 90 -3.816 -6.571 12.578 770 HG22 VAL 90 1HG2 VAL 90 -4.388 -8.227 12.234 771 HG23 VAL 90 2HG2 VAL 90 -5.341 -7.163 13.281 772 H ARG 91 H ARG 91 -2.276 -10.772 15.124 773 HA ARG 91 HA ARG 91 -2.868 -12.244 12.520 774 HE ARG 91 HE ARG 91 -2.161 -15.671 15.111 775 HB2 ARG 91 1HB ARG 91 -1.324 -14.058 12.921 776 HB3 ARG 91 2HB ARG 91 -0.507 -12.534 12.778 777 HG2 ARG 91 1HG ARG 91 0.623 -12.873 14.680 778 HG3 ARG 91 2HG ARG 91 -0.818 -12.845 15.635 779 HD2 ARG 91 1HD ARG 91 0.236 -15.400 14.237 780 HD3 ARG 91 2HD ARG 91 0.755 -14.901 15.822 781 HH11 ARG 91 2HH1 ARG 91 0.000 -14.975 17.736 782 HH12 ARG 91 1HH1 ARG 91 -0.784 -16.247 18.788 783 HH21 ARG 91 2HH2 ARG 91 -3.165 -16.834 16.392 784 HH22 ARG 91 1HH2 ARG 91 -2.556 -17.182 18.091 785 H VAL 92 H VAL 92 -4.545 -13.517 12.542 786 HA VAL 92 HA VAL 92 -5.856 -14.402 15.112 787 HB VAL 92 HB VAL 92 -6.656 -15.073 12.205 788 HG11 VAL 92 1HG1 VAL 92 -8.944 -15.515 13.149 789 HG12 VAL 92 2HG1 VAL 92 -7.772 -16.597 13.908 790 HG13 VAL 92 3HG1 VAL 92 -8.366 -15.172 14.794 791 HG21 VAL 92 3HG2 VAL 92 -6.767 -12.598 12.495 792 HG22 VAL 92 1HG2 VAL 92 -8.383 -13.277 12.338 793 HG23 VAL 92 2HG2 VAL 92 -7.785 -12.772 13.940 Start of MODEL 5 1 H HIS -1 H HIS -1 7.441 16.174 2.602 2 HA HIS -1 HA HIS -1 7.959 13.880 4.417 3 HD2 HIS -1 HD2 HIS -1 10.277 16.872 3.614 4 HE1 HIS -1 HE1 HIS -1 12.255 15.273 6.922 5 HE2 HIS -1 HE2 HIS -1 12.694 16.447 4.665 6 HB2 HIS -1 1HB HIS -1 7.715 16.911 4.957 7 HB3 HIS -1 2HB HIS -1 7.564 15.703 6.216 8 H MET 0 H MET 0 6.122 12.695 4.233 9 HA MET 0 HA MET 0 3.545 13.901 3.465 10 HB2 MET 0 1HB MET 0 4.444 11.657 2.678 11 HB3 MET 0 2HB MET 0 4.112 10.983 4.267 12 HG2 MET 0 1HG MET 0 2.313 10.426 2.644 13 HG3 MET 0 2HG MET 0 1.636 11.423 3.928 14 HE1 MET 0 3HE MET 0 -0.440 13.386 1.427 15 HE2 MET 0 1HE MET 0 -0.424 11.876 2.390 16 HE3 MET 0 2HE MET 0 -0.019 13.440 3.161 17 H LYS 1 H LYS 1 1.619 13.939 4.491 18 HA LYS 1 HA LYS 1 1.690 14.225 7.519 19 HB2 LYS 1 1HB LYS 1 -0.026 15.460 5.333 20 HB3 LYS 1 2HB LYS 1 -0.738 15.263 6.900 21 HG2 LYS 1 1HG LYS 1 0.123 17.487 6.666 22 HG3 LYS 1 2HG LYS 1 0.887 16.699 8.011 23 HD2 LYS 1 1HD LYS 1 2.362 16.683 5.306 24 HD3 LYS 1 2HD LYS 1 2.191 18.220 6.132 25 HE2 LYS 1 1HE LYS 1 3.284 17.287 8.227 26 HE3 LYS 1 2HE LYS 1 3.470 15.714 7.439 27 HZ1 LYS 1 3HZ LYS 1 4.874 16.731 5.712 28 HZ2 LYS 1 1HZ LYS 1 4.667 18.251 6.325 29 HZ3 LYS 1 2HZ LYS 1 5.515 17.125 7.182 30 H VAL 2 H VAL 2 -0.582 12.606 5.231 31 HA VAL 2 HA VAL 2 -0.975 10.503 7.419 32 HB VAL 2 HB VAL 2 -3.312 11.602 5.774 33 HG11 VAL 2 1HG1 VAL 2 -4.752 10.135 7.153 34 HG12 VAL 2 2HG1 VAL 2 -3.498 9.137 6.413 35 HG13 VAL 2 3HG1 VAL 2 -3.360 9.585 8.125 36 HG21 VAL 2 3HG2 VAL 2 -2.786 12.023 8.795 37 HG22 VAL 2 1HG2 VAL 2 -2.773 13.287 7.549 38 HG23 VAL 2 2HG2 VAL 2 -4.287 12.459 7.935 39 H ASP 3 H ASP 3 0.220 8.983 6.466 40 HA ASP 3 HA ASP 3 -0.550 7.987 3.647 41 HB2 ASP 3 1HB ASP 3 1.935 8.678 4.170 42 HB3 ASP 3 2HB ASP 3 2.017 7.271 5.212 43 H ILE 4 H ILE 4 -1.918 6.241 3.790 44 HA ILE 4 HA ILE 4 -1.840 4.488 6.318 45 HB ILE 4 HB ILE 4 -4.333 4.503 4.586 46 HG12 ILE 4 1HG1 ILE 4 -5.286 5.872 6.760 47 HG13 ILE 4 2HG1 ILE 4 -3.666 6.544 6.748 48 HG21 ILE 4 1HG2 ILE 4 -3.913 2.592 6.174 49 HG22 ILE 4 2HG2 ILE 4 -3.865 3.726 7.537 50 HG23 ILE 4 3HG2 ILE 4 -5.365 3.509 6.600 51 HD11 ILE 4 3HD1 ILE 4 -5.273 7.946 5.472 52 HD12 ILE 4 1HD1 ILE 4 -4.044 7.326 4.343 53 HD13 ILE 4 2HD1 ILE 4 -5.671 6.597 4.392 54 H THR 5 H THR 5 -0.469 2.919 5.769 55 HA THR 5 HA THR 5 -0.822 1.289 3.216 56 HB THR 5 HB THR 5 1.363 1.562 5.322 57 HG1 THR 5 HG1 THR 5 1.567 1.491 2.477 58 HG21 THR 5 3HG2 THR 5 1.175 -0.701 3.263 59 HG22 THR 5 1HG2 THR 5 2.697 -0.168 4.036 60 HG23 THR 5 2HG2 THR 5 1.389 -0.869 5.022 61 H ILE 6 H ILE 6 -2.448 -0.131 3.343 62 HA ILE 6 HA ILE 6 -2.706 -1.924 5.848 63 HB ILE 6 HB ILE 6 -4.836 -1.328 3.747 64 HG12 ILE 6 1HG1 ILE 6 -4.558 0.715 5.011 65 HG13 ILE 6 2HG1 ILE 6 -6.084 -0.042 5.353 66 HG21 ILE 6 1HG2 ILE 6 -6.426 -2.456 5.429 67 HG22 ILE 6 2HG2 ILE 6 -5.250 -3.536 4.673 68 HG23 ILE 6 3HG2 ILE 6 -4.998 -2.986 6.345 69 HD11 ILE 6 3HD1 ILE 6 -3.636 -0.081 7.235 70 HD12 ILE 6 1HD1 ILE 6 -5.129 0.864 7.459 71 HD13 ILE 6 2HD1 ILE 6 -5.182 -0.902 7.588 72 H LYS 7 H LYS 7 -1.290 -3.531 5.370 73 HA LYS 7 HA LYS 7 -1.543 -4.972 2.678 74 HB2 LYS 7 1HB LYS 7 0.764 -4.344 4.430 75 HB3 LYS 7 2HB LYS 7 0.692 -6.065 4.159 76 HG2 LYS 7 1HG LYS 7 0.695 -5.825 1.737 77 HG3 LYS 7 2HG LYS 7 0.364 -4.106 1.828 78 HD2 LYS 7 1HD LYS 7 2.979 -5.180 2.980 79 HD3 LYS 7 2HD LYS 7 2.798 -5.007 1.251 80 HE2 LYS 7 1HE LYS 7 2.416 -2.673 3.245 81 HE3 LYS 7 2HE LYS 7 3.909 -3.031 2.386 82 HZ1 LYS 7 3HZ LYS 7 2.930 -1.510 0.865 83 HZ2 LYS 7 1HZ LYS 7 2.281 -2.886 0.210 84 HZ3 LYS 7 2HZ LYS 7 1.399 -1.863 1.162 85 H ILE 8 H ILE 8 -3.298 -6.156 2.773 86 HA ILE 8 HA ILE 8 -3.859 -8.066 5.073 87 HB ILE 8 HB ILE 8 -5.403 -7.366 2.526 88 HG12 ILE 8 1HG1 ILE 8 -6.352 -6.901 5.428 89 HG13 ILE 8 2HG1 ILE 8 -5.332 -5.736 4.629 90 HG21 ILE 8 1HG2 ILE 8 -6.371 -9.273 4.762 91 HG22 ILE 8 2HG2 ILE 8 -7.313 -8.746 3.351 92 HG23 ILE 8 3HG2 ILE 8 -5.902 -9.776 3.114 93 HD11 ILE 8 3HD1 ILE 8 -7.019 -5.453 2.758 94 HD12 ILE 8 1HD1 ILE 8 -8.121 -6.577 3.599 95 HD13 ILE 8 2HD1 ILE 8 -7.675 -5.034 4.357 96 H GLN 9 H GLN 9 -2.388 -9.673 5.054 97 HA GLN 9 HA GLN 9 -1.430 -10.930 2.425 98 HB2 GLN 9 1HB GLN 9 -0.238 -10.783 5.252 99 HB3 GLN 9 2HB GLN 9 0.482 -11.708 3.952 100 HG2 GLN 9 1HG GLN 9 0.976 -9.716 2.622 101 HG3 GLN 9 2HG GLN 9 -0.037 -8.687 3.614 102 HE21 GLN 9 1HE2 GLN 9 3.056 -9.038 3.012 103 HE22 GLN 9 2HE2 GLN 9 3.656 -8.491 4.669 104 H ARG 10 H ARG 10 -3.137 -12.326 2.064 105 HA ARG 10 HA ARG 10 -4.088 -14.156 4.294 106 HE ARG 10 HE ARG 10 -6.477 -13.590 -1.325 107 HB2 ARG 10 1HB ARG 10 -6.019 -14.629 3.044 108 HB3 ARG 10 2HB ARG 10 -5.758 -12.903 3.140 109 HG2 ARG 10 1HG ARG 10 -4.881 -12.963 0.700 110 HG3 ARG 10 2HG ARG 10 -5.328 -14.670 0.646 111 HD2 ARG 10 1HD ARG 10 -7.736 -14.033 1.266 112 HD3 ARG 10 2HD ARG 10 -7.253 -12.319 1.239 113 HH11 ARG 10 2HH1 ARG 10 -9.326 -12.453 0.327 114 HH12 ARG 10 1HH1 ARG 10 -10.206 -12.186 -1.257 115 HH21 ARG 10 2HH2 ARG 10 -7.447 -13.272 -3.023 116 HH22 ARG 10 1HH2 ARG 10 -9.166 -12.624 -3.098 117 H ASP 11 H ASP 11 -2.028 -15.164 4.351 118 HA ASP 11 HA ASP 11 -0.709 -17.059 4.209 119 HB2 ASP 11 1HB ASP 11 -3.204 -18.026 4.514 120 HB3 ASP 11 2HB ASP 11 -2.926 -18.709 2.925 121 H GLY 12 H GLY 12 0.447 -15.707 2.679 122 HA2 GLY 12 1HA GLY 12 1.900 -15.597 0.702 123 HA3 GLY 12 2HA GLY 12 1.225 -17.100 0.124 124 H GLN 13 H GLN 13 -0.774 -14.223 0.806 125 HA GLN 13 HA GLN 13 -0.670 -13.328 -2.088 126 HB2 GLN 13 1HB GLN 13 -2.380 -15.232 -1.920 127 HB3 GLN 13 2HB GLN 13 -3.338 -14.243 -0.836 128 HG2 GLN 13 1HG GLN 13 -3.555 -12.486 -2.703 129 HG3 GLN 13 2HG GLN 13 -2.581 -13.485 -3.761 130 HE21 GLN 13 1HE2 GLN 13 -3.522 -15.599 -4.378 131 HE22 GLN 13 2HE2 GLN 13 -5.357 -15.749 -4.389 132 H GLU 14 H GLU 14 -0.077 -11.278 -1.683 133 HA GLU 14 HA GLU 14 -1.188 -9.696 0.565 134 HB2 GLU 14 1HB GLU 14 0.495 -8.026 -0.101 135 HB3 GLU 14 2HB GLU 14 1.126 -9.593 0.320 136 HG2 GLU 14 1HG GLU 14 0.811 -8.768 -2.645 137 HG3 GLU 14 2HG GLU 14 2.212 -8.315 -1.696 138 H ILE 15 H ILE 15 -3.154 -8.895 0.353 139 HA ILE 15 HA ILE 15 -3.932 -7.195 -2.077 140 HB ILE 15 HB ILE 15 -5.547 -8.179 0.341 141 HG12 ILE 15 1HG1 ILE 15 -7.086 -9.073 -1.556 142 HG13 ILE 15 2HG1 ILE 15 -5.806 -8.688 -2.693 143 HG21 ILE 15 1HG2 ILE 15 -7.554 -7.004 -0.638 144 HG22 ILE 15 2HG2 ILE 15 -6.328 -5.852 -0.114 145 HG23 ILE 15 3HG2 ILE 15 -6.512 -6.212 -1.846 146 HD11 ILE 15 3HD1 ILE 15 -5.495 -10.675 -0.331 147 HD12 ILE 15 1HD1 ILE 15 -5.895 -11.128 -2.010 148 HD13 ILE 15 2HD1 ILE 15 -4.323 -10.417 -1.647 149 H GLU 16 H GLU 16 -2.458 -5.549 -1.882 150 HA GLU 16 HA GLU 16 -2.210 -4.061 0.712 151 HB2 GLU 16 1HB GLU 16 -0.230 -3.133 -0.032 152 HB3 GLU 16 2HB GLU 16 -0.222 -4.882 -0.239 153 HG2 GLU 16 1HG GLU 16 -0.477 -4.514 -2.768 154 HG3 GLU 16 2HG GLU 16 -0.362 -2.782 -2.483 155 H ILE 17 H ILE 17 -3.497 -2.507 1.161 156 HA ILE 17 HA ILE 17 -4.477 -0.544 -1.009 157 HB ILE 17 HB ILE 17 -5.696 -1.056 1.740 158 HG12 ILE 17 1HG1 ILE 17 -6.929 -1.735 -1.009 159 HG13 ILE 17 2HG1 ILE 17 -6.073 -2.911 -0.042 160 HG21 ILE 17 1HG2 ILE 17 -6.576 0.844 -0.548 161 HG22 ILE 17 2HG2 ILE 17 -7.571 0.480 0.875 162 HG23 ILE 17 3HG2 ILE 17 -6.031 1.318 1.079 163 HD11 ILE 17 3HD1 ILE 17 -7.718 -2.592 1.878 164 HD12 ILE 17 1HD1 ILE 17 -8.686 -1.528 0.822 165 HD13 ILE 17 2HD1 ILE 17 -8.445 -3.230 0.386 166 H ASP 18 H ASP 18 -2.453 0.386 -1.057 167 HA ASP 18 HA ASP 18 -1.466 1.996 1.316 168 HB2 ASP 18 1HB ASP 18 -0.224 0.970 -1.303 169 HB3 ASP 18 2HB ASP 18 0.517 2.292 -0.442 170 H ILE 19 H ILE 19 -2.514 3.842 1.537 171 HA ILE 19 HA ILE 19 -3.058 5.607 -0.917 172 HB ILE 19 HB ILE 19 -5.273 6.189 0.070 173 HG12 ILE 19 1HG1 ILE 19 -5.052 3.731 1.908 174 HG13 ILE 19 2HG1 ILE 19 -4.688 5.344 2.477 175 HG21 ILE 19 1HG2 ILE 19 -6.465 4.183 -0.755 176 HG22 ILE 19 2HG2 ILE 19 -5.067 4.514 -1.792 177 HG23 ILE 19 3HG2 ILE 19 -4.991 3.197 -0.603 178 HD11 ILE 19 3HD1 ILE 19 -7.442 4.491 1.366 179 HD12 ILE 19 1HD1 ILE 19 -7.017 4.782 3.066 180 HD13 ILE 19 2HD1 ILE 19 -7.024 6.138 1.913 181 H ARG 20 H ARG 20 -3.189 7.774 -0.743 182 HA ARG 20 HA ARG 20 -1.892 9.079 1.742 183 HE ARG 20 HE ARG 20 0.256 7.471 -1.807 184 HB2 ARG 20 1HB ARG 20 -1.500 9.491 -1.290 185 HB3 ARG 20 2HB ARG 20 -1.341 10.865 -0.250 186 HG2 ARG 20 1HG ARG 20 0.862 9.887 -0.720 187 HG3 ARG 20 2HG ARG 20 0.496 10.000 0.980 188 HD2 ARG 20 1HD ARG 20 1.674 7.975 0.669 189 HD3 ARG 20 2HD ARG 20 0.021 7.562 1.121 190 HH11 ARG 20 2HH1 ARG 20 1.234 5.611 1.082 191 HH12 ARG 20 1HH1 ARG 20 1.493 4.134 0.038 192 HH21 ARG 20 2HH2 ARG 20 0.482 5.689 -2.852 193 HH22 ARG 20 1HH2 ARG 20 0.990 4.159 -2.009 194 H VAL 21 H VAL 21 -3.498 10.115 2.848 195 HA VAL 21 HA VAL 21 -5.353 12.045 1.386 196 HB VAL 21 HB VAL 21 -7.358 11.303 2.711 197 HG11 VAL 21 1HG1 VAL 21 -8.123 9.624 1.088 198 HG12 VAL 21 2HG1 VAL 21 -7.167 10.860 0.247 199 HG13 VAL 21 3HG1 VAL 21 -6.451 9.269 0.589 200 HG21 VAL 21 3HG2 VAL 21 -6.262 9.752 4.373 201 HG22 VAL 21 1HG2 VAL 21 -7.600 8.977 3.502 202 HG23 VAL 21 2HG2 VAL 21 -5.910 8.619 3.052 203 H SER 22 H SER 22 -3.976 13.592 2.311 204 HA SER 22 HA SER 22 -3.981 13.972 5.295 205 HG SER 22 HG SER 22 -3.219 16.826 4.932 206 HB2 SER 22 1HB SER 22 -1.948 14.446 4.005 207 HB3 SER 22 2HB SER 22 -2.782 15.640 2.999 208 H THR 23 H THR 23 -6.329 13.959 5.283 209 HA THR 23 HA THR 23 -7.546 16.722 5.498 210 HB THR 23 HB THR 23 -7.708 16.380 3.137 211 HG1 THR 23 HG1 THR 23 -10.055 16.120 2.974 212 HG21 THR 23 3HG2 THR 23 -9.091 13.660 3.595 213 HG22 THR 23 1HG2 THR 23 -8.923 14.490 2.016 214 HG23 THR 23 2HG2 THR 23 -7.491 13.907 2.878 215 H GLY 24 H GLY 24 -8.829 16.733 7.216 216 HA2 GLY 24 1HA GLY 24 -9.144 14.356 8.892 217 HA3 GLY 24 2HA GLY 24 -9.776 15.932 9.262 218 H LYS 25 H LYS 25 -10.832 13.975 6.581 219 HA LYS 25 HA LYS 25 -13.050 12.697 8.092 220 HB2 LYS 25 1HB LYS 25 -13.893 14.549 5.763 221 HB3 LYS 25 2HB LYS 25 -14.892 13.254 6.399 222 HG2 LYS 25 1HG LYS 25 -14.670 14.329 8.752 223 HG3 LYS 25 2HG LYS 25 -13.944 15.724 7.963 224 HD2 LYS 25 1HD LYS 25 -16.036 16.035 6.563 225 HD3 LYS 25 2HD LYS 25 -16.749 14.591 7.293 226 HE2 LYS 25 1HE LYS 25 -16.574 15.686 9.612 227 HE3 LYS 25 2HE LYS 25 -15.907 17.141 8.865 228 HZ1 LYS 25 3HZ LYS 25 -18.639 15.990 8.261 229 HZ2 LYS 25 1HZ LYS 25 -18.365 17.356 9.130 230 HZ3 LYS 25 2HZ LYS 25 -18.026 17.319 7.519 231 H GLU 26 H GLU 26 -11.746 13.047 4.728 232 HA GLU 26 HA GLU 26 -12.624 10.520 3.879 233 HB2 GLU 26 1HB GLU 26 -10.054 11.689 2.760 234 HB3 GLU 26 2HB GLU 26 -11.198 10.617 1.996 235 HG2 GLU 26 1HG GLU 26 -11.490 13.620 2.472 236 HG3 GLU 26 2HG GLU 26 -11.621 12.726 0.966 237 H LEU 27 H LEU 27 -9.693 10.958 5.795 238 HA LEU 27 HA LEU 27 -8.876 8.117 5.730 239 HG LEU 27 HG LEU 27 -8.847 9.391 9.266 240 HB2 LEU 27 1HB LEU 27 -7.408 8.476 7.411 241 HB3 LEU 27 2HB LEU 27 -7.405 10.013 6.597 242 HD11 LEU 27 1HD1 LEU 27 -6.334 9.281 9.435 243 HD12 LEU 27 2HD1 LEU 27 -6.221 10.940 8.792 244 HD13 LEU 27 3HD1 LEU 27 -7.007 10.635 10.359 245 HD21 LEU 27 3HD2 LEU 27 -8.336 12.142 7.951 246 HD22 LEU 27 1HD2 LEU 27 -9.929 11.363 8.080 247 HD23 LEU 27 2HD2 LEU 27 -9.075 11.866 9.546 248 H GLU 28 H GLU 28 -11.328 9.750 7.726 249 HA GLU 28 HA GLU 28 -12.101 7.348 9.300 250 HB2 GLU 28 1HB GLU 28 -12.576 9.795 9.956 251 HB3 GLU 28 2HB GLU 28 -13.771 9.849 8.674 252 HG2 GLU 28 1HG GLU 28 -14.838 7.712 9.935 253 HG3 GLU 28 2HG GLU 28 -13.830 8.209 11.286 254 H ARG 29 H ARG 29 -13.546 8.892 6.387 255 HA ARG 29 HA ARG 29 -15.516 6.835 5.731 256 HE ARG 29 HE ARG 29 -17.735 11.155 4.451 257 HB2 ARG 29 1HB ARG 29 -13.903 8.704 3.892 258 HB3 ARG 29 2HB ARG 29 -15.217 7.711 3.315 259 HG2 ARG 29 1HG ARG 29 -16.902 8.863 4.619 260 HG3 ARG 29 2HG ARG 29 -15.708 9.749 5.570 261 HD2 ARG 29 1HD ARG 29 -14.944 11.067 3.674 262 HD3 ARG 29 2HD ARG 29 -15.833 10.085 2.501 263 HH11 ARG 29 2HH1 ARG 29 -15.667 12.433 1.877 264 HH12 ARG 29 1HH1 ARG 29 -16.981 13.595 1.371 265 HH21 ARG 29 2HH2 ARG 29 -19.151 12.531 3.814 266 HH22 ARG 29 1HH2 ARG 29 -18.803 13.681 2.441 267 H ALA 30 H ALA 30 -12.101 6.985 4.565 268 HA ALA 30 HA ALA 30 -12.039 4.310 3.344 269 HB1 ALA 30 3HB ALA 30 -10.301 6.039 2.913 270 HB2 ALA 30 1HB ALA 30 -9.770 5.987 4.610 271 HB3 ALA 30 2HB ALA 30 -9.551 4.565 3.560 272 H LEU 31 H LEU 31 -11.135 5.260 6.735 273 HA LEU 31 HA LEU 31 -10.563 2.625 7.785 274 HG LEU 31 HG LEU 31 -10.806 2.457 10.298 275 HB2 LEU 31 1HB LEU 31 -10.050 4.786 8.829 276 HB3 LEU 31 2HB LEU 31 -11.726 5.095 9.159 277 HD11 LEU 31 1HD1 LEU 31 -9.398 3.445 12.115 278 HD12 LEU 31 2HD1 LEU 31 -8.645 3.656 10.523 279 HD13 LEU 31 3HD1 LEU 31 -9.445 5.036 11.315 280 HD21 LEU 31 3HD2 LEU 31 -11.926 3.349 12.357 281 HD22 LEU 31 1HD2 LEU 31 -12.122 4.943 11.596 282 HD23 LEU 31 2HD2 LEU 31 -12.981 3.527 10.941 283 H GLN 32 H GLN 32 -13.810 4.171 7.622 284 HA GLN 32 HA GLN 32 -15.326 1.922 8.750 285 HB2 GLN 32 1HB GLN 32 -16.022 4.195 6.798 286 HB3 GLN 32 2HB GLN 32 -17.242 3.133 7.444 287 HG2 GLN 32 1HG GLN 32 -17.001 3.913 9.709 288 HG3 GLN 32 2HG GLN 32 -15.455 4.685 9.389 289 HE21 GLN 32 1HE2 GLN 32 -17.038 6.166 10.635 290 HE22 GLN 32 2HE2 GLN 32 -17.472 7.567 9.553 291 H GLU 33 H GLU 33 -14.217 2.398 5.397 292 HA GLU 33 HA GLU 33 -15.594 -0.163 4.520 293 HB2 GLU 33 1HB GLU 33 -15.427 1.861 2.976 294 HB3 GLU 33 2HB GLU 33 -13.698 1.611 2.887 295 HG2 GLU 33 1HG GLU 33 -14.917 0.629 0.910 296 HG3 GLU 33 2HG GLU 33 -14.033 -0.615 1.772 297 H LEU 34 H LEU 34 -12.244 0.908 5.187 298 HA LEU 34 HA LEU 34 -10.926 -1.688 4.853 299 HG LEU 34 HG LEU 34 -10.037 1.181 4.280 300 HB2 LEU 34 1HB LEU 34 -10.316 0.602 6.794 301 HB3 LEU 34 2HB LEU 34 -9.244 -0.754 6.546 302 HD11 LEU 34 1HD1 LEU 34 -8.854 2.498 5.924 303 HD12 LEU 34 2HD1 LEU 34 -7.620 1.260 6.189 304 HD13 LEU 34 3HD1 LEU 34 -7.688 2.139 4.640 305 HD21 LEU 34 3HD2 LEU 34 -7.882 -1.023 4.370 306 HD22 LEU 34 1HD2 LEU 34 -9.319 -0.947 3.332 307 HD23 LEU 34 2HD2 LEU 34 -8.014 0.225 3.113 308 H GLU 35 H GLU 35 -12.594 -0.450 7.842 309 HA GLU 35 HA GLU 35 -12.353 -2.924 9.324 310 HB2 GLU 35 1HB GLU 35 -13.648 -2.037 10.903 311 HB3 GLU 35 2HB GLU 35 -13.246 -0.560 10.081 312 HG2 GLU 35 1HG GLU 35 -15.487 -0.343 9.132 313 HG3 GLU 35 2HG GLU 35 -15.924 -1.988 9.559 314 H LYS 36 H LYS 36 -14.654 -2.201 6.790 315 HA LYS 36 HA LYS 36 -16.252 -4.716 7.041 316 HB2 LYS 36 1HB LYS 36 -16.965 -2.455 5.985 317 HB3 LYS 36 2HB LYS 36 -16.016 -2.900 4.570 318 HG2 LYS 36 1HG LYS 36 -17.489 -5.064 4.472 319 HG3 LYS 36 2HG LYS 36 -18.479 -4.377 5.746 320 HD2 LYS 36 1HD LYS 36 -18.017 -3.193 2.916 321 HD3 LYS 36 2HD LYS 36 -19.408 -4.086 3.457 322 HE2 LYS 36 1HE LYS 36 -20.189 -1.876 3.439 323 HE3 LYS 36 2HE LYS 36 -19.943 -2.198 5.155 324 HZ1 LYS 36 3HZ LYS 36 -18.967 0.022 4.443 325 HZ2 LYS 36 1HZ LYS 36 -17.741 -0.954 4.940 326 HZ3 LYS 36 2HZ LYS 36 -17.982 -0.695 3.336 327 H ALA 37 H ALA 37 -13.537 -3.750 4.867 328 HA ALA 37 HA ALA 37 -13.072 -6.409 3.682 329 HB1 ALA 37 3HB ALA 37 -10.851 -5.449 3.050 330 HB2 ALA 37 1HB ALA 37 -12.134 -4.255 2.769 331 HB3 ALA 37 2HB ALA 37 -11.071 -4.105 4.192 332 H LEU 38 H LEU 38 -11.587 -4.988 6.641 333 HA LEU 38 HA LEU 38 -10.094 -7.357 7.525 334 HG LEU 38 HG LEU 38 -9.099 -4.367 9.640 335 HB2 LEU 38 1HB LEU 38 -11.239 -4.863 8.849 336 HB3 LEU 38 2HB LEU 38 -10.826 -6.167 9.888 337 HD11 LEU 38 1HD1 LEU 38 -8.150 -7.237 9.066 338 HD12 LEU 38 2HD1 LEU 38 -7.178 -5.937 9.811 339 HD13 LEU 38 3HD1 LEU 38 -8.585 -6.573 10.657 340 HD21 LEU 38 3HD2 LEU 38 -7.444 -4.408 7.795 341 HD22 LEU 38 1HD2 LEU 38 -8.383 -5.642 6.923 342 HD23 LEU 38 2HD2 LEU 38 -9.045 -4.011 7.159 343 H ALA 39 H ALA 39 -13.483 -6.444 8.461 344 HA ALA 39 HA ALA 39 -13.952 -9.004 9.851 345 HB1 ALA 39 3HB ALA 39 -16.332 -8.187 9.956 346 HB2 ALA 39 1HB ALA 39 -15.203 -6.884 10.358 347 HB3 ALA 39 2HB ALA 39 -15.973 -6.923 8.753 348 H ARG 40 H ARG 40 -14.625 -8.192 6.425 349 HA ARG 40 HA ARG 40 -16.000 -10.853 5.945 350 HE ARG 40 HE ARG 40 -19.620 -7.951 4.208 351 HB2 ARG 40 1HB ARG 40 -15.060 -8.624 4.050 352 HB3 ARG 40 2HB ARG 40 -15.785 -10.117 3.492 353 HG2 ARG 40 1HG ARG 40 -17.898 -9.658 4.766 354 HG3 ARG 40 2HG ARG 40 -17.221 -8.145 5.384 355 HD2 ARG 40 1HD ARG 40 -17.003 -7.213 3.083 356 HD3 ARG 40 2HD ARG 40 -17.519 -8.756 2.364 357 HH11 ARG 40 2HH1 ARG 40 -18.287 -6.868 1.186 358 HH12 ARG 40 1HH1 ARG 40 -19.894 -6.215 0.610 359 HH21 ARG 40 2HH2 ARG 40 -21.439 -7.213 3.530 360 HH22 ARG 40 1HH2 ARG 40 -21.590 -6.417 1.899 361 H ALA 41 H ALA 41 -14.158 -11.892 7.037 362 HA ALA 41 HA ALA 41 -12.300 -13.333 7.077 363 HB1 ALA 41 3HB ALA 41 -12.886 -13.725 4.090 364 HB2 ALA 41 1HB ALA 41 -11.936 -14.814 5.125 365 HB3 ALA 41 2HB ALA 41 -13.672 -14.592 5.436 366 H GLY 42 H GLY 42 -11.385 -10.868 7.292 367 HA2 GLY 42 1HA GLY 42 -9.278 -10.150 5.373 368 HA3 GLY 42 2HA GLY 42 -9.511 -9.458 6.950 369 H ALA 43 H ALA 43 -8.321 -12.436 5.542 370 HA ALA 43 HA ALA 43 -6.286 -13.570 5.671 371 HB1 ALA 43 3HB ALA 43 -5.414 -11.393 4.856 372 HB2 ALA 43 1HB ALA 43 -5.154 -10.844 6.526 373 HB3 ALA 43 2HB ALA 43 -4.202 -12.175 5.873 374 H ARG 44 H ARG 44 -4.597 -14.561 6.771 375 HA ARG 44 HA ARG 44 -4.717 -14.607 9.812 376 HE ARG 44 HE ARG 44 -5.442 -20.135 8.044 377 HB2 ARG 44 1HB ARG 44 -2.950 -16.269 7.920 378 HB3 ARG 44 2HB ARG 44 -2.930 -16.342 9.672 379 HG2 ARG 44 1HG ARG 44 -5.435 -16.987 9.632 380 HG3 ARG 44 2HG ARG 44 -5.310 -17.127 7.882 381 HD2 ARG 44 1HD ARG 44 -3.435 -18.833 8.155 382 HD3 ARG 44 2HD ARG 44 -3.550 -18.719 9.900 383 HH11 ARG 44 2HH1 ARG 44 -5.230 -18.775 11.278 384 HH12 ARG 44 1HH1 ARG 44 -6.448 -19.984 11.909 385 HH21 ARG 44 2HH2 ARG 44 -6.845 -21.430 8.819 386 HH22 ARG 44 1HH2 ARG 44 -7.328 -21.384 10.572 387 H ASN 45 H ASN 45 -2.991 -12.773 7.488 388 HA ASN 45 HA ASN 45 -1.458 -11.509 9.790 389 HB2 ASN 45 1HB ASN 45 -0.198 -12.230 7.038 390 HB3 ASN 45 2HB ASN 45 0.475 -11.011 8.087 391 HD21 ASN 45 1HD2 ASN 45 0.038 -14.465 7.755 392 HD22 ASN 45 2HD2 ASN 45 1.329 -14.829 9.023 393 H VAL 46 H VAL 46 -2.230 -9.472 9.889 394 HA VAL 46 HA VAL 46 -2.582 -7.911 7.253 395 HB VAL 46 HB VAL 46 -4.235 -7.435 9.776 396 HG11 VAL 46 1HG1 VAL 46 -3.934 -5.351 8.383 397 HG12 VAL 46 2HG1 VAL 46 -4.469 -6.213 6.931 398 HG13 VAL 46 3HG1 VAL 46 -5.599 -5.918 8.268 399 HG21 VAL 46 3HG2 VAL 46 -4.969 -9.587 8.656 400 HG22 VAL 46 1HG2 VAL 46 -6.201 -8.331 8.549 401 HG23 VAL 46 2HG2 VAL 46 -5.195 -8.703 7.129 402 H GLN 47 H GLN 47 -0.997 -6.522 7.064 403 HA GLN 47 HA GLN 47 0.359 -5.260 9.511 404 HB2 GLN 47 1HB GLN 47 1.169 -5.393 6.556 405 HB3 GLN 47 2HB GLN 47 1.987 -4.371 7.718 406 HG2 GLN 47 1HG GLN 47 2.516 -6.392 9.153 407 HG3 GLN 47 2HG GLN 47 1.742 -7.440 7.972 408 HE21 GLN 47 1HE2 GLN 47 4.390 -7.651 8.845 409 HE22 GLN 47 2HE2 GLN 47 5.413 -7.415 7.320 410 H ILE 48 H ILE 48 -0.976 -3.662 10.245 411 HA ILE 48 HA ILE 48 -1.990 -1.491 8.363 412 HB ILE 48 HB ILE 48 -2.393 -1.810 11.395 413 HG12 ILE 48 1HG1 ILE 48 -4.952 -2.016 10.439 414 HG13 ILE 48 2HG1 ILE 48 -4.143 -2.654 9.026 415 HG21 ILE 48 1HG2 ILE 48 -3.679 0.273 9.521 416 HG22 ILE 48 2HG2 ILE 48 -4.094 0.003 11.227 417 HG23 ILE 48 3HG2 ILE 48 -2.487 0.587 10.791 418 HD11 ILE 48 3HD1 ILE 48 -3.108 -4.483 10.479 419 HD12 ILE 48 1HD1 ILE 48 -3.807 -3.737 11.926 420 HD13 ILE 48 2HD1 ILE 48 -4.870 -4.439 10.682 421 H THR 49 H THR 49 -0.376 -0.116 7.774 422 HA THR 49 HA THR 49 1.514 0.964 9.946 423 HB THR 49 HB THR 49 2.339 0.613 7.036 424 HG1 THR 49 HG1 THR 49 1.976 -1.275 8.408 425 HG21 THR 49 3HG2 THR 49 4.649 1.000 8.014 426 HG22 THR 49 1HG2 THR 49 3.612 2.433 8.208 427 HG23 THR 49 2HG2 THR 49 3.917 1.364 9.596 428 H ILE 50 H ILE 50 0.701 2.877 10.461 429 HA ILE 50 HA ILE 50 -0.144 4.752 8.198 430 HB ILE 50 HB ILE 50 -2.065 4.101 9.522 431 HG12 ILE 50 1HG1 ILE 50 -1.474 7.117 9.665 432 HG13 ILE 50 2HG1 ILE 50 -1.880 6.258 8.199 433 HG21 ILE 50 1HG2 ILE 50 -1.152 3.940 11.816 434 HG22 ILE 50 2HG2 ILE 50 -0.834 5.693 11.869 435 HG23 ILE 50 3HG2 ILE 50 -2.498 5.085 11.797 436 HD11 ILE 50 3HD1 ILE 50 -4.136 5.583 9.162 437 HD12 ILE 50 1HD1 ILE 50 -3.773 6.523 10.625 438 HD13 ILE 50 2HD1 ILE 50 -3.920 7.346 9.067 439 H SER 51 H SER 51 1.204 6.325 7.781 440 HA SER 51 HA SER 51 3.330 7.143 9.794 441 HG SER 51 HG SER 51 4.338 9.409 8.362 442 HB2 SER 51 1HB SER 51 3.942 6.747 7.387 443 HB3 SER 51 2HB SER 51 3.004 8.174 6.929 444 H ALA 52 H ALA 52 2.756 8.544 11.273 445 HA ALA 52 HA ALA 52 0.808 10.810 10.894 446 HB1 ALA 52 3HB ALA 52 1.139 9.531 13.087 447 HB2 ALA 52 1HB ALA 52 2.802 10.154 13.175 448 HB3 ALA 52 2HB ALA 52 1.429 11.265 13.283 449 H GLU 53 H GLU 53 1.333 13.003 11.185 450 HA GLU 53 HA GLU 53 4.011 13.983 10.265 451 HB2 GLU 53 1HB GLU 53 3.120 16.228 10.391 452 HB3 GLU 53 2HB GLU 53 2.159 15.134 9.441 453 HG2 GLU 53 1HG GLU 53 0.434 16.278 10.439 454 HG3 GLU 53 2HG GLU 53 0.558 14.995 11.618 455 H ASN 54 H ASN 54 2.322 14.294 13.412 456 HA ASN 54 HA ASN 54 5.060 14.791 14.730 457 HB2 ASN 54 1HB ASN 54 2.180 15.532 15.565 458 HB3 ASN 54 2HB ASN 54 3.419 15.394 16.781 459 HD21 ASN 54 1HD2 ASN 54 2.257 17.471 14.321 460 HD22 ASN 54 2HD2 ASN 54 3.525 18.760 14.671 461 H ASP 55 H ASP 55 5.568 13.851 16.715 462 HA ASP 55 HA ASP 55 5.267 10.959 16.919 463 HB2 ASP 55 1HB ASP 55 6.592 11.204 19.009 464 HB3 ASP 55 2HB ASP 55 7.301 11.965 17.610 465 H GLU 56 H GLU 56 3.941 13.341 19.294 466 HA GLU 56 HA GLU 56 2.084 11.401 20.415 467 HB2 GLU 56 1HB GLU 56 2.014 14.451 20.504 468 HB3 GLU 56 2HB GLU 56 0.750 13.500 21.252 469 HG2 GLU 56 1HG GLU 56 3.736 13.171 21.978 470 HG3 GLU 56 2HG GLU 56 2.591 14.165 22.868 471 H GLN 57 H GLN 57 1.528 13.166 17.464 472 HA GLN 57 HA GLN 57 -1.304 12.168 17.162 473 HB2 GLN 57 1HB GLN 57 0.614 13.212 14.997 474 HB3 GLN 57 2HB GLN 57 -0.948 12.499 14.661 475 HG2 GLN 57 1HG GLN 57 -1.741 14.372 16.569 476 HG3 GLN 57 2HG GLN 57 -0.353 15.204 15.909 477 HE21 GLN 57 1HE2 GLN 57 -0.633 16.112 13.742 478 HE22 GLN 57 2HE2 GLN 57 -2.304 15.995 12.959 479 H ALA 58 H ALA 58 1.910 10.809 16.299 480 HA ALA 58 HA ALA 58 0.875 8.229 15.320 481 HB1 ALA 58 3HB ALA 58 3.559 8.751 16.750 482 HB2 ALA 58 1HB ALA 58 3.161 7.388 15.710 483 HB3 ALA 58 2HB ALA 58 3.273 9.008 15.025 484 H LYS 59 H LYS 59 1.631 9.265 18.689 485 HA LYS 59 HA LYS 59 0.602 6.811 19.955 486 HB2 LYS 59 1HB LYS 59 1.969 8.644 21.133 487 HB3 LYS 59 2HB LYS 59 0.515 9.618 21.186 488 HG2 LYS 59 1HG LYS 59 -0.638 7.587 22.416 489 HG3 LYS 59 2HG LYS 59 0.952 6.841 22.498 490 HD2 LYS 59 1HD LYS 59 1.837 8.833 23.766 491 HD3 LYS 59 2HD LYS 59 0.313 9.663 23.636 492 HE2 LYS 59 1HE LYS 59 0.762 6.970 25.131 493 HE3 LYS 59 2HE LYS 59 0.719 8.567 25.883 494 HZ1 LYS 59 3HZ LYS 59 -1.540 7.671 26.079 495 HZ2 LYS 59 1HZ LYS 59 -1.649 8.765 24.848 496 HZ3 LYS 59 2HZ LYS 59 -1.635 7.154 24.526 497 H GLU 60 H GLU 60 -1.260 9.875 19.237 498 HA GLU 60 HA GLU 60 -3.886 8.848 19.963 499 HB2 GLU 60 1HB GLU 60 -3.167 10.851 17.742 500 HB3 GLU 60 2HB GLU 60 -4.801 10.519 18.279 501 HG2 GLU 60 1HG GLU 60 -4.216 11.337 20.626 502 HG3 GLU 60 2HG GLU 60 -2.598 11.748 20.059 503 H LEU 61 H LEU 61 -2.319 8.569 16.742 504 HA LEU 61 HA LEU 61 -4.395 6.812 15.588 505 HG LEU 61 HG LEU 61 -2.874 9.226 14.401 506 HB2 LEU 61 1HB LEU 61 -1.443 7.164 14.849 507 HB3 LEU 61 2HB LEU 61 -2.558 6.197 13.911 508 HD11 LEU 61 1HD1 LEU 61 -1.928 7.747 11.867 509 HD12 LEU 61 2HD1 LEU 61 -2.133 9.502 12.049 510 HD13 LEU 61 3HD1 LEU 61 -0.887 8.653 12.981 511 HD21 LEU 61 3HD2 LEU 61 -4.511 7.308 12.608 512 HD22 LEU 61 1HD2 LEU 61 -5.107 8.279 13.971 513 HD23 LEU 61 2HD2 LEU 61 -4.573 9.085 12.491 514 H LEU 62 H LEU 62 -1.510 5.891 17.504 515 HA LEU 62 HA LEU 62 -2.063 2.993 17.521 516 HG LEU 62 HG LEU 62 -1.455 2.903 20.857 517 HB2 LEU 62 1HB LEU 62 0.069 3.806 18.319 518 HB3 LEU 62 2HB LEU 62 -0.672 4.854 19.495 519 HD11 LEU 62 1HD1 LEU 62 0.195 1.194 18.877 520 HD12 LEU 62 2HD1 LEU 62 -0.426 0.628 20.445 521 HD13 LEU 62 3HD1 LEU 62 -1.562 1.082 19.168 522 HD21 LEU 62 3HD2 LEU 62 0.762 2.385 21.814 523 HD22 LEU 62 1HD2 LEU 62 1.586 2.941 20.341 524 HD23 LEU 62 2HD2 LEU 62 0.692 4.097 21.361 525 H GLU 63 H GLU 63 -3.228 5.467 19.909 526 HA GLU 63 HA GLU 63 -5.110 3.760 21.283 527 HB2 GLU 63 1HB GLU 63 -5.776 6.690 20.718 528 HB3 GLU 63 2HB GLU 63 -6.318 5.685 22.044 529 HG2 GLU 63 1HG GLU 63 -3.548 6.941 21.671 530 HG3 GLU 63 2HG GLU 63 -4.763 7.376 22.837 531 H LEU 64 H LEU 64 -5.793 5.723 18.372 532 HA LEU 64 HA LEU 64 -8.539 4.816 17.917 533 HG LEU 64 HG LEU 64 -9.591 6.323 16.238 534 HB2 LEU 64 1HB LEU 64 -7.235 6.862 16.979 535 HB3 LEU 64 2HB LEU 64 -6.604 5.792 15.758 536 HD11 LEU 64 1HD1 LEU 64 -9.454 7.896 14.285 537 HD12 LEU 64 2HD1 LEU 64 -8.376 8.429 15.587 538 HD13 LEU 64 3HD1 LEU 64 -7.701 7.615 14.155 539 HD21 LEU 64 3HD2 LEU 64 -9.301 4.215 14.919 540 HD22 LEU 64 1HD2 LEU 64 -9.894 5.486 13.854 541 HD23 LEU 64 2HD2 LEU 64 -8.173 5.026 13.808 542 H ILE 65 H ILE 65 -5.535 3.540 16.315 543 HA ILE 65 HA ILE 65 -6.954 1.344 14.936 544 HB ILE 65 HB ILE 65 -3.992 1.690 15.574 545 HG12 ILE 65 1HG1 ILE 65 -5.374 1.821 12.817 546 HG13 ILE 65 2HG1 ILE 65 -5.169 3.244 13.818 547 HG21 ILE 65 1HG2 ILE 65 -5.328 -0.570 13.914 548 HG22 ILE 65 2HG2 ILE 65 -3.590 -0.213 13.836 549 HG23 ILE 65 3HG2 ILE 65 -4.294 -0.733 15.353 550 HD11 ILE 65 3HD1 ILE 65 -3.344 2.981 12.091 551 HD12 ILE 65 1HD1 ILE 65 -2.712 3.112 13.758 552 HD13 ILE 65 2HD1 ILE 65 -2.734 1.549 12.924 553 H ALA 66 H ALA 66 -5.230 1.296 18.135 554 HA ALA 66 HA ALA 66 -5.763 -1.493 18.786 555 HB1 ALA 66 3HB ALA 66 -4.200 -0.027 20.066 556 HB2 ALA 66 1HB ALA 66 -5.553 0.969 20.650 557 HB3 ALA 66 2HB ALA 66 -5.411 -0.732 21.157 558 H ARG 67 H ARG 67 -7.872 1.355 19.462 559 HA ARG 67 HA ARG 67 -10.232 -0.120 20.421 560 HE ARG 67 HE ARG 67 -12.641 3.626 20.941 561 HB2 ARG 67 1HB ARG 67 -9.944 2.567 18.949 562 HB3 ARG 67 2HB ARG 67 -11.499 1.956 19.467 563 HG2 ARG 67 1HG ARG 67 -10.850 2.006 21.870 564 HG3 ARG 67 2HG ARG 67 -9.190 2.378 21.452 565 HD2 ARG 67 1HD ARG 67 -10.179 4.444 22.170 566 HD3 ARG 67 2HD ARG 67 -9.853 4.565 20.435 567 HH11 ARG 67 2HH1 ARG 67 -10.718 6.524 20.922 568 HH12 ARG 67 1HH1 ARG 67 -12.170 7.586 20.588 569 HH21 ARG 67 2HH2 ARG 67 -14.274 4.857 20.567 570 HH22 ARG 67 1HH2 ARG 67 -14.085 6.661 20.402 571 H LEU 68 H LEU 68 -9.364 0.717 17.000 572 HA LEU 68 HA LEU 68 -11.728 -0.526 15.780 573 HG LEU 68 HG LEU 68 -10.608 -1.490 13.157 574 HB2 LEU 68 1HB LEU 68 -10.086 1.139 14.692 575 HB3 LEU 68 2HB LEU 68 -8.907 -0.147 14.626 576 HD11 LEU 68 1HD1 LEU 68 -12.341 -0.001 11.966 577 HD12 LEU 68 2HD1 LEU 68 -12.725 -0.350 13.650 578 HD13 LEU 68 3HD1 LEU 68 -12.067 1.238 13.198 579 HD21 LEU 68 3HD2 LEU 68 -8.632 -0.360 12.170 580 HD22 LEU 68 1HD2 LEU 68 -10.031 -0.230 11.087 581 HD23 LEU 68 2HD2 LEU 68 -9.526 1.173 12.056 582 H LEU 69 H LEU 69 -8.451 -1.899 16.247 583 HA LEU 69 HA LEU 69 -9.004 -4.621 15.228 584 HG LEU 69 HG LEU 69 -6.725 -2.490 14.945 585 HB2 LEU 69 1HB LEU 69 -6.903 -3.669 17.231 586 HB3 LEU 69 2HB LEU 69 -6.886 -5.211 16.405 587 HD11 LEU 69 1HD1 LEU 69 -4.793 -2.723 16.367 588 HD12 LEU 69 2HD1 LEU 69 -4.513 -4.394 15.892 589 HD13 LEU 69 3HD1 LEU 69 -4.278 -3.085 14.701 590 HD21 LEU 69 3HD2 LEU 69 -6.296 -5.321 13.839 591 HD22 LEU 69 1HD2 LEU 69 -7.608 -4.209 13.410 592 HD23 LEU 69 2HD2 LEU 69 -5.944 -3.806 12.976 593 H GLN 70 H GLN 70 -9.100 -3.367 18.614 594 HA GLN 70 HA GLN 70 -10.157 -5.784 19.892 595 HB2 GLN 70 1HB GLN 70 -9.149 -3.762 21.032 596 HB3 GLN 70 2HB GLN 70 -10.551 -2.803 20.582 597 HG2 GLN 70 1HG GLN 70 -12.020 -4.375 21.992 598 HG3 GLN 70 2HG GLN 70 -10.587 -5.282 22.443 599 HE21 GLN 70 1HE2 GLN 70 -9.207 -4.325 24.040 600 HE22 GLN 70 2HE2 GLN 70 -9.737 -2.789 24.915 601 H LYS 71 H LYS 71 -12.001 -2.967 18.514 602 HA LYS 71 HA LYS 71 -14.674 -4.105 18.807 603 HB2 LYS 71 1HB LYS 71 -14.020 -1.684 18.259 604 HB3 LYS 71 2HB LYS 71 -13.645 -2.186 16.623 605 HG2 LYS 71 1HG LYS 71 -16.175 -2.998 16.488 606 HG3 LYS 71 2HG LYS 71 -16.383 -2.240 18.048 607 HD2 LYS 71 1HD LYS 71 -17.073 -0.472 16.684 608 HD3 LYS 71 2HD LYS 71 -15.405 -0.037 16.915 609 HE2 LYS 71 1HE LYS 71 -15.778 0.288 14.556 610 HE3 LYS 71 2HE LYS 71 -14.847 -1.195 14.626 611 HZ1 LYS 71 3HZ LYS 71 -17.869 -1.120 14.436 612 HZ2 LYS 71 1HZ LYS 71 -16.876 -1.344 13.138 613 HZ3 LYS 71 2HZ LYS 71 -16.943 -2.484 14.339 614 H LEU 72 H LEU 72 -12.468 -4.429 15.989 615 HA LEU 72 HA LEU 72 -14.171 -6.295 14.447 616 HG LEU 72 HG LEU 72 -12.693 -3.917 13.520 617 HB2 LEU 72 1HB LEU 72 -11.126 -5.828 14.512 618 HB3 LEU 72 2HB LEU 72 -11.887 -6.879 13.346 619 HD11 LEU 72 1HD1 LEU 72 -11.069 -3.565 11.598 620 HD12 LEU 72 2HD1 LEU 72 -10.264 -3.950 13.131 621 HD13 LEU 72 3HD1 LEU 72 -10.412 -5.198 11.881 622 HD21 LEU 72 3HD2 LEU 72 -12.937 -6.043 11.274 623 HD22 LEU 72 1HD2 LEU 72 -14.279 -5.397 12.251 624 HD23 LEU 72 2HD2 LEU 72 -13.409 -4.339 11.133 625 H GLY 73 H GLY 73 -11.916 -6.972 17.088 626 HA2 GLY 73 1HA GLY 73 -11.934 -9.088 18.382 627 HA3 GLY 73 2HA GLY 73 -12.717 -9.923 17.067 628 H TYR 74 H TYR 74 -9.713 -8.037 16.735 629 HA TYR 74 HA TYR 74 -8.250 -10.581 15.849 630 HD1 TYR 74 HD2 TYR 74 -9.918 -7.983 13.870 631 HD2 TYR 74 HD1 TYR 74 -6.259 -10.143 13.234 632 HE1 TYR 74 HE2 TYR 74 -10.600 -8.480 11.543 633 HE2 TYR 74 HE1 TYR 74 -6.928 -10.584 10.907 634 HH TYR 74 HH TYR 74 -8.431 -10.170 9.282 635 HB2 TYR 74 1HB TYR 74 -7.788 -7.587 15.354 636 HB3 TYR 74 2HB TYR 74 -6.482 -8.703 15.186 637 H LYS 75 H LYS 75 -7.341 -11.615 17.440 638 HA LYS 75 HA LYS 75 -6.746 -10.330 20.035 639 HB2 LYS 75 1HB LYS 75 -6.497 -13.272 19.175 640 HB3 LYS 75 2HB LYS 75 -6.318 -12.690 20.819 641 HG2 LYS 75 1HG LYS 75 -8.687 -11.766 20.782 642 HG3 LYS 75 2HG LYS 75 -8.902 -12.389 19.148 643 HD2 LYS 75 1HD LYS 75 -8.414 -14.749 19.993 644 HD3 LYS 75 2HD LYS 75 -8.258 -14.115 21.635 645 HE2 LYS 75 1HE LYS 75 -10.678 -13.261 21.529 646 HE3 LYS 75 2HE LYS 75 -10.822 -13.891 19.885 647 HZ1 LYS 75 3HZ LYS 75 -11.654 -15.564 21.530 648 HZ2 LYS 75 1HZ LYS 75 -10.321 -16.174 20.789 649 HZ3 LYS 75 2HZ LYS 75 -10.208 -15.591 22.314 650 H ASP 76 H ASP 76 -4.490 -11.805 17.677 651 HA ASP 76 HA ASP 76 -2.121 -11.260 19.508 652 HB2 ASP 76 1HB ASP 76 -2.163 -13.407 18.264 653 HB3 ASP 76 2HB ASP 76 -2.299 -12.564 16.724 654 H ILE 77 H ILE 77 -1.397 -9.253 19.508 655 HA ILE 77 HA ILE 77 -1.663 -7.436 17.042 656 HB ILE 77 HB ILE 77 -2.111 -6.599 19.966 657 HG12 ILE 77 1HG1 ILE 77 -4.323 -6.848 17.818 658 HG13 ILE 77 2HG1 ILE 77 -4.038 -8.042 19.052 659 HG21 ILE 77 1HG2 ILE 77 -1.222 -4.749 18.472 660 HG22 ILE 77 2HG2 ILE 77 -2.579 -5.001 17.350 661 HG23 ILE 77 3HG2 ILE 77 -2.867 -4.402 19.001 662 HD11 ILE 77 3HD1 ILE 77 -4.546 -6.355 20.872 663 HD12 ILE 77 1HD1 ILE 77 -4.949 -5.156 19.613 664 HD13 ILE 77 2HD1 ILE 77 -5.898 -6.646 19.755 665 H ASN 78 H ASN 78 0.368 -7.327 16.295 666 HA ASN 78 HA ASN 78 2.759 -7.060 18.162 667 HB2 ASN 78 1HB ASN 78 2.668 -8.815 16.432 668 HB3 ASN 78 2HB ASN 78 2.430 -7.640 15.159 669 HD21 ASN 78 1HD2 ASN 78 4.308 -8.393 14.039 670 HD22 ASN 78 2HD2 ASN 78 5.965 -8.086 14.776 671 H VAL 79 H VAL 79 2.905 -4.986 18.824 672 HA VAL 79 HA VAL 79 2.416 -2.652 16.971 673 HB VAL 79 HB VAL 79 2.941 -2.704 19.995 674 HG11 VAL 79 1HG1 VAL 79 3.497 -0.436 19.105 675 HG12 VAL 79 2HG1 VAL 79 1.949 -0.353 18.240 676 HG13 VAL 79 3HG1 VAL 79 1.990 -0.362 20.021 677 HG21 VAL 79 3HG2 VAL 79 0.746 -3.804 19.456 678 HG22 VAL 79 1HG2 VAL 79 0.480 -2.252 20.258 679 HG23 VAL 79 2HG2 VAL 79 0.243 -2.392 18.500 680 H ARG 80 H ARG 80 4.050 -1.790 15.822 681 HA ARG 80 HA ARG 80 6.553 -0.939 17.388 682 HE ARG 80 HE ARG 80 10.451 1.093 15.204 683 HB2 ARG 80 1HB ARG 80 7.300 -2.713 15.926 684 HB3 ARG 80 2HB ARG 80 6.454 -2.058 14.543 685 HG2 ARG 80 1HG ARG 80 8.852 -1.655 14.304 686 HG3 ARG 80 2HG ARG 80 7.985 -0.137 14.363 687 HD2 ARG 80 1HD ARG 80 8.681 0.281 16.710 688 HD3 ARG 80 2HD ARG 80 9.430 -1.293 16.854 689 HH11 ARG 80 2HH1 ARG 80 11.045 -2.211 16.114 690 HH12 ARG 80 1HH1 ARG 80 12.777 -2.116 15.525 691 HH21 ARG 80 2HH2 ARG 80 12.312 1.131 14.460 692 HH22 ARG 80 1HH2 ARG 80 13.461 -0.291 14.622 693 H VAL 81 H VAL 81 5.708 1.051 17.897 694 HA VAL 81 HA VAL 81 5.002 2.993 15.662 695 HB VAL 81 HB VAL 81 5.173 3.571 18.664 696 HG11 VAL 81 1HG1 VAL 81 3.967 5.740 18.025 697 HG12 VAL 81 2HG1 VAL 81 5.596 5.662 17.340 698 HG13 VAL 81 3HG1 VAL 81 4.194 5.334 16.307 699 HG21 VAL 81 3HG2 VAL 81 2.635 3.803 18.492 700 HG22 VAL 81 1HG2 VAL 81 2.706 3.189 16.829 701 HG23 VAL 81 2HG2 VAL 81 3.165 2.139 18.185 702 H ASN 82 H ASN 82 6.760 3.482 14.462 703 HA ASN 82 HA ASN 82 9.522 3.786 15.766 704 HB2 ASN 82 1HB ASN 82 9.002 2.324 13.640 705 HB3 ASN 82 2HB ASN 82 8.815 3.829 12.769 706 HD21 ASN 82 1HD2 ASN 82 10.668 4.568 11.820 707 HD22 ASN 82 2HD2 ASN 82 12.344 3.928 12.260 708 H GLY 83 H GLY 83 8.236 5.727 16.763 709 HA2 GLY 83 1HA GLY 83 8.293 8.173 17.064 710 HA3 GLY 83 2HA GLY 83 9.247 8.348 15.606 711 H THR 84 H THR 84 8.010 7.786 13.594 712 HA THR 84 HA THR 84 5.314 9.246 13.573 713 HB THR 84 HB THR 84 5.887 9.618 11.038 714 HG1 THR 84 HG1 THR 84 7.975 8.315 11.112 715 HG21 THR 84 3HG2 THR 84 5.751 11.503 12.651 716 HG22 THR 84 1HG2 THR 84 7.390 11.145 13.257 717 HG23 THR 84 2HG2 THR 84 7.164 11.721 11.591 718 H GLU 85 H GLU 85 6.972 6.500 11.971 719 HA GLU 85 HA GLU 85 4.623 5.472 10.726 720 HB2 GLU 85 1HB GLU 85 7.105 3.822 11.439 721 HB3 GLU 85 2HB GLU 85 5.963 3.532 10.145 722 HG2 GLU 85 1HG GLU 85 7.855 4.385 9.007 723 HG3 GLU 85 2HG GLU 85 6.830 5.815 9.092 724 H VAL 86 H VAL 86 2.859 4.873 11.921 725 HA VAL 86 HA VAL 86 3.092 3.142 14.405 726 HB VAL 86 HB VAL 86 0.663 4.302 12.977 727 HG11 VAL 86 1HG1 VAL 86 -0.660 3.775 15.053 728 HG12 VAL 86 2HG1 VAL 86 -0.066 2.299 14.290 729 HG13 VAL 86 3HG1 VAL 86 0.735 2.927 15.747 730 HG21 VAL 86 3HG2 VAL 86 0.485 5.907 14.852 731 HG22 VAL 86 1HG2 VAL 86 1.950 5.253 15.610 732 HG23 VAL 86 2HG2 VAL 86 2.045 6.098 14.042 733 H LYS 87 H LYS 87 4.078 1.312 13.441 734 HA LYS 87 HA LYS 87 2.517 -0.334 11.420 735 HB2 LYS 87 1HB LYS 87 4.989 0.098 11.261 736 HB3 LYS 87 2HB LYS 87 5.267 -0.830 12.708 737 HG2 LYS 87 1HG LYS 87 3.778 -2.091 10.310 738 HG3 LYS 87 2HG LYS 87 5.507 -1.843 10.213 739 HD2 LYS 87 1HD LYS 87 5.892 -3.241 12.254 740 HD3 LYS 87 2HD LYS 87 4.154 -3.472 12.457 741 HE2 LYS 87 1HE LYS 87 4.005 -4.640 10.214 742 HE3 LYS 87 2HE LYS 87 5.731 -4.399 9.935 743 HZ1 LYS 87 3HZ LYS 87 6.268 -5.962 11.667 744 HZ2 LYS 87 1HZ LYS 87 4.852 -5.740 12.471 745 HZ3 LYS 87 2HZ LYS 87 4.859 -6.658 11.123 746 H ILE 88 H ILE 88 0.704 -0.981 12.518 747 HA ILE 88 HA ILE 88 1.085 -2.824 14.965 748 HB ILE 88 HB ILE 88 -1.420 -1.294 14.131 749 HG12 ILE 88 1HG1 ILE 88 0.314 -0.936 16.674 750 HG13 ILE 88 2HG1 ILE 88 0.525 0.052 15.252 751 HG21 ILE 88 1HG2 ILE 88 -2.025 -3.492 15.187 752 HG22 ILE 88 2HG2 ILE 88 -0.929 -3.186 16.548 753 HG23 ILE 88 3HG2 ILE 88 -2.379 -2.188 16.326 754 HD11 ILE 88 3HD1 ILE 88 -0.837 1.300 16.787 755 HD12 ILE 88 1HD1 ILE 88 -1.857 0.881 15.404 756 HD13 ILE 88 2HD1 ILE 88 -2.042 0.003 16.950 757 H GLU 89 H GLU 89 1.360 -4.769 14.247 758 HA GLU 89 HA GLU 89 -0.019 -5.794 11.716 759 HB2 GLU 89 1HB GLU 89 2.378 -5.820 11.663 760 HB3 GLU 89 2HB GLU 89 2.509 -6.598 13.232 761 HG2 GLU 89 1HG GLU 89 1.393 -8.689 12.191 762 HG3 GLU 89 2HG GLU 89 1.520 -7.938 10.614 763 H VAL 90 H VAL 90 -1.739 -7.080 11.968 764 HA VAL 90 HA VAL 90 -2.092 -8.593 14.604 765 HB VAL 90 HB VAL 90 -4.489 -8.756 14.281 766 HG11 VAL 90 1HG1 VAL 90 -3.529 -5.859 14.528 767 HG12 VAL 90 2HG1 VAL 90 -5.018 -6.575 15.229 768 HG13 VAL 90 3HG1 VAL 90 -3.432 -7.087 15.807 769 HG21 VAL 90 3HG2 VAL 90 -4.803 -8.214 11.838 770 HG22 VAL 90 1HG2 VAL 90 -5.802 -7.207 12.883 771 HG23 VAL 90 2HG2 VAL 90 -4.332 -6.517 12.160 772 H ARG 91 H ARG 91 -2.346 -10.648 14.702 773 HA ARG 91 HA ARG 91 -2.399 -12.262 12.090 774 HE ARG 91 HE ARG 91 0.751 -11.331 15.349 775 HB2 ARG 91 1HB ARG 91 -0.868 -12.843 14.706 776 HB3 ARG 91 2HB ARG 91 -1.159 -14.057 13.496 777 HG2 ARG 91 1HG ARG 91 0.993 -13.416 12.947 778 HG3 ARG 91 2HG ARG 91 0.010 -12.625 11.743 779 HD2 ARG 91 1HD ARG 91 1.783 -11.102 12.408 780 HD3 ARG 91 2HD ARG 91 0.263 -10.431 12.962 781 HH11 ARG 91 2HH1 ARG 91 3.586 -10.726 13.378 782 HH12 ARG 91 1HH1 ARG 91 4.632 -11.395 14.725 783 HH21 ARG 91 2HH2 ARG 91 1.872 -11.790 16.746 784 HH22 ARG 91 1HH2 ARG 91 3.713 -11.902 16.644 785 H VAL 92 H VAL 92 -3.519 -14.142 11.977 786 HA VAL 92 HA VAL 92 -5.361 -14.925 14.330 787 HB VAL 92 HB VAL 92 -6.218 -15.201 11.394 788 HG11 VAL 92 1HG1 VAL 92 -7.835 -15.597 14.008 789 HG12 VAL 92 2HG1 VAL 92 -8.480 -15.722 12.356 790 HG13 VAL 92 3HG1 VAL 92 -7.284 -16.896 12.922 791 HG21 VAL 92 3HG2 VAL 92 -7.199 -13.071 13.413 792 HG22 VAL 92 1HG2 VAL 92 -6.290 -12.778 11.913 793 HG23 VAL 92 2HG2 VAL 92 -7.935 -13.410 11.823 Start of MODEL 6 1 H HIS -1 H HIS -1 6.567 14.441 9.309 2 HA HIS -1 HA HIS -1 7.657 16.054 7.077 3 HD2 HIS -1 HD2 HIS -1 9.952 17.156 7.400 4 HE1 HIS -1 HE1 HIS -1 12.057 15.930 10.786 5 HE2 HIS -1 HE2 HIS -1 11.806 17.919 9.165 6 HB2 HIS -1 1HB HIS -1 8.730 13.484 8.387 7 HB3 HIS -1 2HB HIS -1 9.353 14.136 6.892 8 H MET 0 H MET 0 6.534 12.663 7.660 9 HA MET 0 HA MET 0 5.561 12.604 4.761 10 HB2 MET 0 1HB MET 0 7.133 10.794 5.545 11 HB3 MET 0 2HB MET 0 5.917 10.236 6.688 12 HG2 MET 0 1HG MET 0 4.369 9.639 4.819 13 HG3 MET 0 2HG MET 0 5.456 10.373 3.619 14 HE1 MET 0 3HE MET 0 4.316 7.278 3.738 15 HE2 MET 0 1HE MET 0 5.241 7.958 2.368 16 HE3 MET 0 2HE MET 0 5.761 6.422 3.129 17 H LYS 1 H LYS 1 3.487 12.995 4.433 18 HA LYS 1 HA LYS 1 1.503 13.275 6.619 19 HB2 LYS 1 1HB LYS 1 1.317 13.552 3.544 20 HB3 LYS 1 2HB LYS 1 -0.088 13.671 4.566 21 HG2 LYS 1 1HG LYS 1 1.195 15.459 5.971 22 HG3 LYS 1 2HG LYS 1 2.365 15.533 4.684 23 HD2 LYS 1 1HD LYS 1 0.794 16.445 3.112 24 HD3 LYS 1 2HD LYS 1 -0.619 15.867 3.954 25 HE2 LYS 1 1HE LYS 1 1.221 18.113 5.044 26 HE3 LYS 1 2HE LYS 1 -0.236 18.384 4.088 27 HZ1 LYS 1 3HZ LYS 1 -0.094 17.197 6.886 28 HZ2 LYS 1 1HZ LYS 1 -0.996 18.479 6.381 29 HZ3 LYS 1 2HZ LYS 1 -1.412 16.932 5.965 30 H VAL 2 H VAL 2 -0.568 12.368 6.746 31 HA VAL 2 HA VAL 2 -0.378 9.718 7.524 32 HB VAL 2 HB VAL 2 -3.025 11.136 6.951 33 HG11 VAL 2 1HG1 VAL 2 -2.433 8.861 8.967 34 HG12 VAL 2 2HG1 VAL 2 -3.986 9.716 8.781 35 HG13 VAL 2 3HG1 VAL 2 -3.383 8.700 7.472 36 HG21 VAL 2 3HG2 VAL 2 -1.381 11.168 9.578 37 HG22 VAL 2 1HG2 VAL 2 -1.630 12.560 8.502 38 HG23 VAL 2 2HG2 VAL 2 -3.006 11.863 9.352 39 H ASP 3 H ASP 3 0.430 8.429 5.871 40 HA ASP 3 HA ASP 3 -1.451 7.411 3.746 41 HB2 ASP 3 1HB ASP 3 1.489 6.712 4.312 42 HB3 ASP 3 2HB ASP 3 0.538 6.077 2.989 43 H ILE 4 H ILE 4 -2.820 5.860 4.208 44 HA ILE 4 HA ILE 4 -2.330 3.877 6.456 45 HB ILE 4 HB ILE 4 -4.765 3.554 4.684 46 HG12 ILE 4 1HG1 ILE 4 -5.009 5.920 4.974 47 HG13 ILE 4 2HG1 ILE 4 -6.249 5.020 5.800 48 HG21 ILE 4 1HG2 ILE 4 -4.293 1.916 6.488 49 HG22 ILE 4 2HG2 ILE 4 -4.368 3.198 7.714 50 HG23 ILE 4 3HG2 ILE 4 -5.822 2.767 6.786 51 HD11 ILE 4 3HD1 ILE 4 -5.481 6.985 7.158 52 HD12 ILE 4 1HD1 ILE 4 -5.156 5.473 8.023 53 HD13 ILE 4 2HD1 ILE 4 -3.826 6.337 7.197 54 H THR 5 H THR 5 -0.725 2.456 5.734 55 HA THR 5 HA THR 5 -1.011 1.081 3.015 56 HB THR 5 HB THR 5 1.249 1.088 5.074 57 HG1 THR 5 HG1 THR 5 1.188 2.219 2.431 58 HG21 THR 5 3HG2 THR 5 1.419 -1.029 3.748 59 HG22 THR 5 1HG2 THR 5 1.249 -0.119 2.226 60 HG23 THR 5 2HG2 THR 5 2.683 0.119 3.249 61 H ILE 6 H ILE 6 -2.572 -0.479 3.213 62 HA ILE 6 HA ILE 6 -2.611 -2.263 5.706 63 HB ILE 6 HB ILE 6 -4.860 -2.294 3.648 64 HG12 ILE 6 1HG1 ILE 6 -6.179 -0.860 5.435 65 HG13 ILE 6 2HG1 ILE 6 -4.607 -0.275 5.937 66 HG21 ILE 6 1HG2 ILE 6 -4.832 -2.943 6.675 67 HG22 ILE 6 2HG2 ILE 6 -6.165 -3.231 5.528 68 HG23 ILE 6 3HG2 ILE 6 -4.660 -4.152 5.387 69 HD11 ILE 6 3HD1 ILE 6 -5.791 1.228 4.239 70 HD12 ILE 6 1HD1 ILE 6 -4.237 0.697 3.630 71 HD13 ILE 6 2HD1 ILE 6 -5.716 -0.075 3.034 72 H LYS 7 H LYS 7 -0.971 -3.718 5.246 73 HA LYS 7 HA LYS 7 -1.058 -5.383 2.689 74 HB2 LYS 7 1HB LYS 7 0.883 -5.246 5.053 75 HB3 LYS 7 2HB LYS 7 0.952 -6.545 3.878 76 HG2 LYS 7 1HG LYS 7 1.386 -4.995 2.020 77 HG3 LYS 7 2HG LYS 7 1.098 -3.582 3.029 78 HD2 LYS 7 1HD LYS 7 3.103 -4.122 4.408 79 HD3 LYS 7 2HD LYS 7 3.399 -5.606 3.525 80 HE2 LYS 7 1HE LYS 7 3.392 -2.785 2.191 81 HE3 LYS 7 2HE LYS 7 4.831 -3.516 2.886 82 HZ1 LYS 7 3HZ LYS 7 5.074 -4.503 0.787 83 HZ2 LYS 7 1HZ LYS 7 3.805 -5.498 1.147 84 HZ3 LYS 7 2HZ LYS 7 3.544 -4.162 0.303 85 H ILE 8 H ILE 8 -2.898 -6.567 2.744 86 HA ILE 8 HA ILE 8 -3.772 -8.001 5.253 87 HB ILE 8 HB ILE 8 -5.185 -8.071 2.540 88 HG12 ILE 8 1HG1 ILE 8 -5.899 -6.110 4.806 89 HG13 ILE 8 2HG1 ILE 8 -4.933 -5.648 3.424 90 HG21 ILE 8 1HG2 ILE 8 -6.250 -8.530 5.420 91 HG22 ILE 8 2HG2 ILE 8 -7.211 -8.691 3.939 92 HG23 ILE 8 3HG2 ILE 8 -5.897 -9.833 4.269 93 HD11 ILE 8 3HD1 ILE 8 -7.847 -6.624 3.196 94 HD12 ILE 8 1HD1 ILE 8 -7.239 -4.966 3.007 95 HD13 ILE 8 2HD1 ILE 8 -6.778 -6.210 1.824 96 H GLN 9 H GLN 9 -2.244 -9.610 5.544 97 HA GLN 9 HA GLN 9 -1.509 -11.527 3.340 98 HB2 GLN 9 1HB GLN 9 0.182 -10.572 4.867 99 HB3 GLN 9 2HB GLN 9 -0.603 -11.297 6.256 100 HG2 GLN 9 1HG GLN 9 -0.098 -13.602 5.415 101 HG3 GLN 9 2HG GLN 9 0.578 -12.950 3.937 102 HE21 GLN 9 1HE2 GLN 9 2.775 -12.979 4.006 103 HE22 GLN 9 2HE2 GLN 9 3.758 -12.804 5.570 104 H ARG 10 H ARG 10 -2.891 -12.999 2.879 105 HA ARG 10 HA ARG 10 -3.880 -14.946 5.033 106 HE ARG 10 HE ARG 10 -7.422 -13.904 1.422 107 HB2 ARG 10 1HB ARG 10 -4.700 -14.765 2.069 108 HB3 ARG 10 2HB ARG 10 -5.017 -16.141 3.092 109 HG2 ARG 10 1HG ARG 10 -7.048 -15.096 3.429 110 HG3 ARG 10 2HG ARG 10 -6.184 -14.438 4.773 111 HD2 ARG 10 1HD ARG 10 -7.289 -12.559 3.880 112 HD3 ARG 10 2HD ARG 10 -5.636 -12.345 3.279 113 HH11 ARG 10 2HH1 ARG 10 -6.407 -10.687 2.248 114 HH12 ARG 10 1HH1 ARG 10 -7.077 -9.996 0.691 115 HH21 ARG 10 2HH2 ARG 10 -8.140 -13.098 -0.337 116 HH22 ARG 10 1HH2 ARG 10 -8.011 -11.316 -0.692 117 H ASP 11 H ASP 11 -3.414 -17.368 3.925 118 HA ASP 11 HA ASP 11 -0.595 -17.481 4.636 119 HB2 ASP 11 1HB ASP 11 -2.632 -19.176 5.105 120 HB3 ASP 11 2HB ASP 11 -2.102 -19.946 3.628 121 H GLY 12 H GLY 12 0.726 -16.637 3.219 122 HA2 GLY 12 1HA GLY 12 2.155 -16.352 1.282 123 HA3 GLY 12 2HA GLY 12 1.549 -17.838 0.584 124 H GLN 13 H GLN 13 -0.249 -14.878 1.558 125 HA GLN 13 HA GLN 13 -0.624 -14.035 -1.297 126 HB2 GLN 13 1HB GLN 13 -2.363 -16.016 -0.667 127 HB3 GLN 13 2HB GLN 13 -3.229 -14.749 0.154 128 HG2 GLN 13 1HG GLN 13 -4.234 -14.731 -1.961 129 HG3 GLN 13 2HG GLN 13 -3.091 -13.427 -2.168 130 HE21 GLN 13 1HE2 GLN 13 -0.904 -15.792 -2.588 131 HE22 GLN 13 2HE2 GLN 13 -1.296 -16.140 -4.353 132 H GLU 14 H GLU 14 0.365 -12.205 -0.438 133 HA GLU 14 HA GLU 14 -0.932 -10.416 1.449 134 HB2 GLU 14 1HB GLU 14 1.529 -10.067 -0.358 135 HB3 GLU 14 2HB GLU 14 1.047 -8.981 0.925 136 HG2 GLU 14 1HG GLU 14 2.784 -10.330 1.868 137 HG3 GLU 14 2HG GLU 14 1.300 -10.872 2.628 138 H ILE 15 H ILE 15 -2.845 -9.565 0.750 139 HA ILE 15 HA ILE 15 -3.012 -8.016 -1.871 140 HB ILE 15 HB ILE 15 -5.120 -8.798 0.195 141 HG12 ILE 15 1HG1 ILE 15 -6.220 -9.870 -1.896 142 HG13 ILE 15 2HG1 ILE 15 -4.780 -9.470 -2.807 143 HG21 ILE 15 1HG2 ILE 15 -5.780 -6.527 -0.591 144 HG22 ILE 15 2HG2 ILE 15 -5.583 -7.015 -2.288 145 HG23 ILE 15 3HG2 ILE 15 -6.871 -7.726 -1.285 146 HD11 ILE 15 3HD1 ILE 15 -4.701 -11.340 -0.340 147 HD12 ILE 15 1HD1 ILE 15 -4.954 -11.895 -2.019 148 HD13 ILE 15 2HD1 ILE 15 -3.438 -11.102 -1.563 149 H GLU 16 H GLU 16 -1.809 -6.229 -1.663 150 HA GLU 16 HA GLU 16 -2.007 -4.540 0.809 151 HB2 GLU 16 1HB GLU 16 0.147 -3.754 0.404 152 HB3 GLU 16 2HB GLU 16 0.069 -5.510 0.365 153 HG2 GLU 16 1HG GLU 16 0.328 -5.457 -2.185 154 HG3 GLU 16 2HG GLU 16 0.473 -3.692 -2.102 155 H ILE 17 H ILE 17 -2.808 -2.653 0.987 156 HA ILE 17 HA ILE 17 -3.574 -0.996 -1.498 157 HB ILE 17 HB ILE 17 -5.268 -1.457 1.023 158 HG12 ILE 17 1HG1 ILE 17 -5.915 -2.513 -1.809 159 HG13 ILE 17 2HG1 ILE 17 -5.153 -3.494 -0.581 160 HG21 ILE 17 1HG2 ILE 17 -5.664 0.815 -0.042 161 HG22 ILE 17 2HG2 ILE 17 -6.041 0.034 -1.590 162 HG23 ILE 17 3HG2 ILE 17 -7.093 -0.205 -0.174 163 HD11 ILE 17 3HD1 ILE 17 -7.124 -3.196 0.979 164 HD12 ILE 17 1HD1 ILE 17 -7.983 -2.319 -0.315 165 HD13 ILE 17 2HD1 ILE 17 -7.524 -4.019 -0.547 166 H ASP 18 H ASP 18 -2.604 0.961 -1.440 167 HA ASP 18 HA ASP 18 -1.888 2.283 1.219 168 HB2 ASP 18 1HB ASP 18 -0.691 2.507 -1.599 169 HB3 ASP 18 2HB ASP 18 -0.351 3.684 -0.346 170 H ILE 19 H ILE 19 -3.148 3.813 1.924 171 HA ILE 19 HA ILE 19 -4.744 5.623 -0.009 172 HB ILE 19 HB ILE 19 -5.521 4.588 2.762 173 HG12 ILE 19 1HG1 ILE 19 -5.710 2.728 1.243 174 HG13 ILE 19 2HG1 ILE 19 -7.298 3.250 1.734 175 HG21 ILE 19 1HG2 ILE 19 -7.814 5.539 2.342 176 HG22 ILE 19 2HG2 ILE 19 -6.566 6.781 2.479 177 HG23 ILE 19 3HG2 ILE 19 -7.205 6.345 0.875 178 HD11 ILE 19 3HD1 ILE 19 -6.011 3.823 -1.031 179 HD12 ILE 19 1HD1 ILE 19 -7.307 2.661 -0.683 180 HD13 ILE 19 2HD1 ILE 19 -7.623 4.404 -0.538 181 H ARG 20 H ARG 20 -3.773 7.601 -0.068 182 HA ARG 20 HA ARG 20 -2.564 8.875 2.378 183 HE ARG 20 HE ARG 20 0.536 10.046 1.353 184 HB2 ARG 20 1HB ARG 20 -1.474 9.113 0.222 185 HB3 ARG 20 2HB ARG 20 -2.858 9.929 -0.490 186 HG2 ARG 20 1HG ARG 20 -2.556 11.917 0.841 187 HG3 ARG 20 2HG ARG 20 -1.566 11.126 2.047 188 HD2 ARG 20 1HD ARG 20 -0.581 11.520 -0.863 189 HD3 ARG 20 2HD ARG 20 -0.384 12.746 0.413 190 HH11 ARG 20 2HH1 ARG 20 1.603 12.744 -0.599 191 HH12 ARG 20 1HH1 ARG 20 3.369 12.379 -0.262 192 HH21 ARG 20 2HH2 ARG 20 2.532 9.682 1.748 193 HH22 ARG 20 1HH2 ARG 20 3.854 10.727 1.006 194 H VAL 21 H VAL 21 -3.772 9.820 3.866 195 HA VAL 21 HA VAL 21 -6.083 11.683 3.128 196 HB VAL 21 HB VAL 21 -7.546 10.629 4.918 197 HG11 VAL 21 1HG1 VAL 21 -8.578 8.960 3.421 198 HG12 VAL 21 2HG1 VAL 21 -8.122 10.429 2.534 199 HG13 VAL 21 3HG1 VAL 21 -7.134 8.967 2.379 200 HG21 VAL 21 3HG2 VAL 21 -5.867 9.118 6.039 201 HG22 VAL 21 1HG2 VAL 21 -7.293 8.213 5.482 202 HG23 VAL 21 2HG2 VAL 21 -5.766 8.131 4.572 203 H SER 22 H SER 22 -4.190 13.049 3.751 204 HA SER 22 HA SER 22 -4.482 13.857 6.729 205 HG SER 22 HG SER 22 -1.480 15.002 7.232 206 HB2 SER 22 1HB SER 22 -2.174 13.343 6.062 207 HB3 SER 22 2HB SER 22 -2.241 14.532 4.755 208 H THR 23 H THR 23 -6.499 14.734 6.295 209 HA THR 23 HA THR 23 -6.617 17.489 5.052 210 HB THR 23 HB THR 23 -6.816 16.423 3.044 211 HG1 THR 23 HG1 THR 23 -9.599 16.488 3.448 212 HG21 THR 23 3HG2 THR 23 -8.781 14.334 4.143 213 HG22 THR 23 1HG2 THR 23 -8.452 14.605 2.416 214 HG23 THR 23 2HG2 THR 23 -7.154 14.049 3.496 215 H GLY 24 H GLY 24 -9.709 15.865 5.430 216 HA2 GLY 24 1HA GLY 24 -9.906 16.903 8.332 217 HA3 GLY 24 2HA GLY 24 -10.991 17.514 7.097 218 H LYS 25 H LYS 25 -12.929 16.471 7.070 219 HA LYS 25 HA LYS 25 -13.356 13.951 8.743 220 HB2 LYS 25 1HB LYS 25 -15.300 15.895 7.368 221 HB3 LYS 25 2HB LYS 25 -15.841 14.419 8.101 222 HG2 LYS 25 1HG LYS 25 -14.135 16.167 9.937 223 HG3 LYS 25 2HG LYS 25 -15.630 16.875 9.392 224 HD2 LYS 25 1HD LYS 25 -16.076 15.835 11.503 225 HD3 LYS 25 2HD LYS 25 -16.976 14.977 10.261 226 HE2 LYS 25 1HE LYS 25 -15.218 13.120 10.267 227 HE3 LYS 25 2HE LYS 25 -14.299 13.975 11.509 228 HZ1 LYS 25 3HZ LYS 25 -15.982 12.164 12.278 229 HZ2 LYS 25 1HZ LYS 25 -16.159 13.620 13.090 230 HZ3 LYS 25 2HZ LYS 25 -17.185 13.153 11.867 231 H GLU 26 H GLU 26 -11.914 13.018 7.194 232 HA GLU 26 HA GLU 26 -13.179 11.649 4.757 233 HB2 GLU 26 1HB GLU 26 -10.626 13.353 4.992 234 HB3 GLU 26 2HB GLU 26 -10.881 12.264 3.641 235 HG2 GLU 26 1HG GLU 26 -12.841 13.494 2.836 236 HG3 GLU 26 2HG GLU 26 -12.914 14.499 4.287 237 H LEU 27 H LEU 27 -10.113 11.619 6.708 238 HA LEU 27 HA LEU 27 -9.554 8.797 6.317 239 HG LEU 27 HG LEU 27 -9.143 9.883 9.958 240 HB2 LEU 27 1HB LEU 27 -7.963 8.867 7.968 241 HB3 LEU 27 2HB LEU 27 -7.880 10.419 7.191 242 HD11 LEU 27 1HD1 LEU 27 -7.064 10.981 10.844 243 HD12 LEU 27 2HD1 LEU 27 -6.666 9.519 9.924 244 HD13 LEU 27 3HD1 LEU 27 -6.411 11.122 9.192 245 HD21 LEU 27 3HD2 LEU 27 -10.170 11.933 8.970 246 HD22 LEU 27 1HD2 LEU 27 -9.047 12.404 10.246 247 HD23 LEU 27 2HD2 LEU 27 -8.568 12.583 8.542 248 H GLU 28 H GLU 28 -11.847 10.210 8.569 249 HA GLU 28 HA GLU 28 -12.651 7.773 10.018 250 HB2 GLU 28 1HB GLU 28 -13.245 10.129 10.633 251 HB3 GLU 28 2HB GLU 28 -14.210 10.296 9.170 252 HG2 GLU 28 1HG GLU 28 -15.785 8.449 10.070 253 HG3 GLU 28 2HG GLU 28 -14.826 8.411 11.553 254 H ARG 29 H ARG 29 -13.852 9.102 6.927 255 HA ARG 29 HA ARG 29 -15.743 6.865 6.312 256 HE ARG 29 HE ARG 29 -16.750 10.210 2.797 257 HB2 ARG 29 1HB ARG 29 -14.482 9.037 4.531 258 HB3 ARG 29 2HB ARG 29 -15.665 7.897 3.950 259 HG2 ARG 29 1HG ARG 29 -17.493 8.938 4.960 260 HG3 ARG 29 2HG ARG 29 -16.615 9.355 6.406 261 HD2 ARG 29 1HD ARG 29 -17.168 11.440 5.350 262 HD3 ARG 29 2HD ARG 29 -15.419 11.205 5.268 263 HH11 ARG 29 2HH1 ARG 29 -15.540 13.151 4.297 264 HH12 ARG 29 1HH1 ARG 29 -15.465 13.993 2.677 265 HH21 ARG 29 2HH2 ARG 29 -16.575 11.219 0.993 266 HH22 ARG 29 1HH2 ARG 29 -15.990 12.942 0.923 267 H ALA 30 H ALA 30 -12.380 7.573 5.241 268 HA ALA 30 HA ALA 30 -11.965 5.063 3.745 269 HB1 ALA 30 3HB ALA 30 -9.539 5.583 4.025 270 HB2 ALA 30 1HB ALA 30 -10.440 7.037 3.552 271 HB3 ALA 30 2HB ALA 30 -9.912 6.820 5.241 272 H LEU 31 H LEU 31 -11.162 5.761 7.222 273 HA LEU 31 HA LEU 31 -10.450 3.053 7.992 274 HG LEU 31 HG LEU 31 -10.463 2.617 10.394 275 HB2 LEU 31 1HB LEU 31 -10.049 5.182 9.244 276 HB3 LEU 31 2HB LEU 31 -11.726 5.278 9.678 277 HD11 LEU 31 1HD1 LEU 31 -9.076 3.496 12.279 278 HD12 LEU 31 2HD1 LEU 31 -8.446 4.033 10.711 279 HD13 LEU 31 3HD1 LEU 31 -9.363 5.168 11.730 280 HD21 LEU 31 3HD2 LEU 31 -11.989 4.715 12.084 281 HD22 LEU 31 1HD2 LEU 31 -12.699 3.286 11.291 282 HD23 LEU 31 2HD2 LEU 31 -11.539 3.079 12.616 283 H GLN 32 H GLN 32 -13.765 4.496 8.040 284 HA GLN 32 HA GLN 32 -15.184 2.091 8.910 285 HB2 GLN 32 1HB GLN 32 -16.026 4.486 8.875 286 HB3 GLN 32 2HB GLN 32 -16.099 4.433 7.121 287 HG2 GLN 32 1HG GLN 32 -17.821 2.585 7.257 288 HG3 GLN 32 2HG GLN 32 -17.737 2.597 9.011 289 HE21 GLN 32 1HE2 GLN 32 -18.676 4.452 10.108 290 HE22 GLN 32 2HE2 GLN 32 -19.835 5.543 9.174 291 H GLU 33 H GLU 33 -14.648 3.161 5.487 292 HA GLU 33 HA GLU 33 -15.665 0.637 4.329 293 HB2 GLU 33 1HB GLU 33 -15.572 2.817 3.113 294 HB3 GLU 33 2HB GLU 33 -13.821 2.728 3.060 295 HG2 GLU 33 1HG GLU 33 -14.813 2.059 0.894 296 HG3 GLU 33 2HG GLU 33 -13.940 0.701 1.576 297 H LEU 34 H LEU 34 -12.305 1.542 5.264 298 HA LEU 34 HA LEU 34 -11.106 -1.015 4.411 299 HG LEU 34 HG LEU 34 -10.161 1.755 3.962 300 HB2 LEU 34 1HB LEU 34 -10.179 1.030 6.493 301 HB3 LEU 34 2HB LEU 34 -9.208 -0.339 6.017 302 HD11 LEU 34 1HD1 LEU 34 -7.863 2.764 4.209 303 HD12 LEU 34 2HD1 LEU 34 -8.813 2.898 5.700 304 HD13 LEU 34 3HD1 LEU 34 -7.538 1.668 5.581 305 HD21 LEU 34 3HD2 LEU 34 -7.962 -0.412 3.830 306 HD22 LEU 34 1HD2 LEU 34 -9.469 -0.377 2.893 307 HD23 LEU 34 2HD2 LEU 34 -8.225 0.849 2.601 308 H GLU 35 H GLU 35 -12.412 -0.106 7.646 309 HA GLU 35 HA GLU 35 -12.124 -2.675 9.007 310 HB2 GLU 35 1HB GLU 35 -12.853 -0.575 10.051 311 HB3 GLU 35 2HB GLU 35 -14.332 -0.524 9.131 312 HG2 GLU 35 1HG GLU 35 -13.762 -2.914 11.008 313 HG3 GLU 35 2HG GLU 35 -14.355 -1.387 11.643 314 H LYS 36 H LYS 36 -14.946 -1.579 7.127 315 HA LYS 36 HA LYS 36 -16.255 -4.096 6.664 316 HB2 LYS 36 1HB LYS 36 -16.997 -1.649 6.168 317 HB3 LYS 36 2HB LYS 36 -16.028 -1.713 4.719 318 HG2 LYS 36 1HG LYS 36 -17.540 -3.794 4.034 319 HG3 LYS 36 2HG LYS 36 -18.533 -3.366 5.425 320 HD2 LYS 36 1HD LYS 36 -18.746 -0.957 4.417 321 HD3 LYS 36 2HD LYS 36 -17.799 -1.500 3.064 322 HE2 LYS 36 1HE LYS 36 -19.993 -1.620 2.227 323 HE3 LYS 36 2HE LYS 36 -19.593 -3.307 2.553 324 HZ1 LYS 36 3HZ LYS 36 -20.786 -3.075 4.753 325 HZ2 LYS 36 1HZ LYS 36 -21.131 -1.510 4.444 326 HZ3 LYS 36 2HZ LYS 36 -21.829 -2.692 3.533 327 H ALA 37 H ALA 37 -13.468 -2.828 4.796 328 HA ALA 37 HA ALA 37 -13.330 -5.076 2.841 329 HB1 ALA 37 3HB ALA 37 -12.261 -2.815 2.442 330 HB2 ALA 37 1HB ALA 37 -11.062 -3.192 3.705 331 HB3 ALA 37 2HB ALA 37 -11.143 -4.179 2.236 332 H LEU 38 H LEU 38 -11.567 -4.568 5.961 333 HA LEU 38 HA LEU 38 -10.281 -7.228 5.991 334 HG LEU 38 HG LEU 38 -9.384 -4.304 7.045 335 HB2 LEU 38 1HB LEU 38 -11.155 -5.492 8.372 336 HB3 LEU 38 2HB LEU 38 -10.140 -6.914 8.494 337 HD11 LEU 38 1HD1 LEU 38 -7.759 -4.028 8.925 338 HD12 LEU 38 2HD1 LEU 38 -9.415 -4.124 9.550 339 HD13 LEU 38 3HD1 LEU 38 -8.334 -5.534 9.682 340 HD21 LEU 38 3HD2 LEU 38 -7.052 -5.322 6.899 341 HD22 LEU 38 1HD2 LEU 38 -7.721 -6.884 7.439 342 HD23 LEU 38 2HD2 LEU 38 -8.230 -6.173 5.889 343 H ALA 39 H ALA 39 -13.484 -6.267 7.314 344 HA ALA 39 HA ALA 39 -14.331 -8.981 8.060 345 HB1 ALA 39 3HB ALA 39 -16.056 -6.561 7.199 346 HB2 ALA 39 1HB ALA 39 -16.606 -7.973 8.131 347 HB3 ALA 39 2HB ALA 39 -15.435 -6.847 8.841 348 H ARG 40 H ARG 40 -14.869 -7.290 4.905 349 HA ARG 40 HA ARG 40 -16.010 -9.643 3.518 350 HE ARG 40 HE ARG 40 -15.536 -4.969 2.755 351 HB2 ARG 40 1HB ARG 40 -14.485 -7.196 2.445 352 HB3 ARG 40 2HB ARG 40 -15.139 -8.423 1.388 353 HG2 ARG 40 1HG ARG 40 -17.445 -7.997 2.049 354 HG3 ARG 40 2HG ARG 40 -16.983 -6.902 3.333 355 HD2 ARG 40 1HD ARG 40 -16.339 -6.361 0.339 356 HD3 ARG 40 2HD ARG 40 -17.832 -5.832 1.132 357 HH11 ARG 40 2HH1 ARG 40 -17.267 -3.991 -0.197 358 HH12 ARG 40 1HH1 ARG 40 -16.635 -2.271 0.078 359 HH21 ARG 40 2HH2 ARG 40 -14.819 -2.982 2.780 360 HH22 ARG 40 1HH2 ARG 40 -15.471 -1.779 1.523 361 H ALA 41 H ALA 41 -12.599 -8.638 3.780 362 HA ALA 41 HA ALA 41 -11.555 -10.707 2.005 363 HB1 ALA 41 3HB ALA 41 -9.323 -9.932 2.887 364 HB2 ALA 41 1HB ALA 41 -10.381 -8.556 2.511 365 HB3 ALA 41 2HB ALA 41 -10.135 -9.055 4.202 366 H GLY 42 H GLY 42 -11.751 -10.847 5.598 367 HA2 GLY 42 1HA GLY 42 -11.461 -12.809 7.046 368 HA3 GLY 42 2HA GLY 42 -11.324 -13.823 5.626 369 H ALA 43 H ALA 43 -9.509 -11.504 7.607 370 HA ALA 43 HA ALA 43 -6.936 -12.218 6.273 371 HB1 ALA 43 3HB ALA 43 -7.621 -9.866 6.742 372 HB2 ALA 43 1HB ALA 43 -7.540 -10.171 8.489 373 HB3 ALA 43 2HB ALA 43 -6.066 -10.276 7.499 374 H ARG 44 H ARG 44 -5.221 -13.206 7.048 375 HA ARG 44 HA ARG 44 -5.314 -14.690 9.717 376 HE ARG 44 HE ARG 44 -1.194 -18.635 7.253 377 HB2 ARG 44 1HB ARG 44 -4.992 -15.948 7.631 378 HB3 ARG 44 2HB ARG 44 -3.567 -15.001 7.214 379 HG2 ARG 44 1HG ARG 44 -2.191 -15.997 8.887 380 HG3 ARG 44 2HG ARG 44 -3.545 -16.685 9.779 381 HD2 ARG 44 1HD ARG 44 -4.021 -18.362 8.058 382 HD3 ARG 44 2HD ARG 44 -3.173 -17.467 6.829 383 HH11 ARG 44 2HH1 ARG 44 -3.062 -18.978 10.147 384 HH12 ARG 44 1HH1 ARG 44 -2.113 -20.488 10.594 385 HH21 ARG 44 2HH2 ARG 44 -0.276 -20.189 7.682 386 HH22 ARG 44 1HH2 ARG 44 -0.565 -21.187 9.207 387 H ASN 45 H ASN 45 -3.001 -12.568 7.901 388 HA ASN 45 HA ASN 45 -2.271 -11.312 10.595 389 HB2 ASN 45 1HB ASN 45 -0.467 -12.929 9.868 390 HB3 ASN 45 2HB ASN 45 -0.280 -12.059 8.358 391 HD21 ASN 45 1HD2 ASN 45 1.812 -11.457 8.699 392 HD22 ASN 45 2HD2 ASN 45 2.391 -10.444 10.138 393 H VAL 46 H VAL 46 -2.812 -9.236 10.562 394 HA VAL 46 HA VAL 46 -2.964 -7.717 7.873 395 HB VAL 46 HB VAL 46 -4.264 -6.887 10.500 396 HG11 VAL 46 1HG1 VAL 46 -5.498 -5.194 9.111 397 HG12 VAL 46 2HG1 VAL 46 -3.754 -4.920 9.040 398 HG13 VAL 46 3HG1 VAL 46 -4.578 -5.692 7.667 399 HG21 VAL 46 3HG2 VAL 46 -5.451 -8.903 9.575 400 HG22 VAL 46 1HG2 VAL 46 -6.464 -7.457 9.521 401 HG23 VAL 46 2HG2 VAL 46 -5.678 -8.049 8.030 402 H GLN 47 H GLN 47 -0.997 -6.896 7.535 403 HA GLN 47 HA GLN 47 0.497 -5.387 9.762 404 HB2 GLN 47 1HB GLN 47 1.369 -6.258 6.951 405 HB3 GLN 47 2HB GLN 47 2.252 -5.072 7.899 406 HG2 GLN 47 1HG GLN 47 2.510 -6.779 9.771 407 HG3 GLN 47 2HG GLN 47 1.710 -7.985 8.787 408 HE21 GLN 47 1HE2 GLN 47 3.127 -9.216 7.620 409 HE22 GLN 47 2HE2 GLN 47 4.854 -8.725 7.258 410 H ILE 48 H ILE 48 -0.899 -3.707 10.040 411 HA ILE 48 HA ILE 48 -1.422 -1.841 7.699 412 HB ILE 48 HB ILE 48 -3.340 -2.416 9.175 413 HG12 ILE 48 1HG1 ILE 48 -2.770 0.608 9.086 414 HG13 ILE 48 2HG1 ILE 48 -3.130 -0.332 7.657 415 HG21 ILE 48 1HG2 ILE 48 -3.657 -1.303 11.366 416 HG22 ILE 48 2HG2 ILE 48 -2.173 -2.275 11.440 417 HG23 ILE 48 3HG2 ILE 48 -2.063 -0.516 11.253 418 HD11 ILE 48 3HD1 ILE 48 -5.054 0.003 10.056 419 HD12 ILE 48 1HD1 ILE 48 -5.222 0.725 8.447 420 HD13 ILE 48 2HD1 ILE 48 -5.380 -1.032 8.641 421 H THR 49 H THR 49 -0.044 -0.228 7.332 422 HA THR 49 HA THR 49 1.706 0.800 9.634 423 HB THR 49 HB THR 49 2.627 0.955 6.709 424 HG1 THR 49 HG1 THR 49 2.332 -1.197 7.604 425 HG21 THR 49 3HG2 THR 49 4.880 1.267 7.753 426 HG22 THR 49 1HG2 THR 49 3.766 2.550 8.272 427 HG23 THR 49 2HG2 THR 49 4.161 1.215 9.381 428 H ILE 50 H ILE 50 0.819 2.611 10.274 429 HA ILE 50 HA ILE 50 -0.440 4.485 8.220 430 HB ILE 50 HB ILE 50 -1.904 3.717 10.001 431 HG12 ILE 50 1HG1 ILE 50 -1.491 6.753 10.050 432 HG13 ILE 50 2HG1 ILE 50 -2.114 5.886 8.660 433 HG21 ILE 50 1HG2 ILE 50 -1.809 4.708 12.321 434 HG22 ILE 50 2HG2 ILE 50 -0.438 3.642 11.994 435 HG23 ILE 50 3HG2 ILE 50 -0.227 5.415 11.976 436 HD11 ILE 50 3HD1 ILE 50 -3.509 5.917 11.410 437 HD12 ILE 50 1HD1 ILE 50 -4.018 6.784 9.948 438 HD13 ILE 50 2HD1 ILE 50 -4.069 5.002 10.000 439 H SER 51 H SER 51 1.064 5.735 7.351 440 HA SER 51 HA SER 51 3.525 6.542 8.857 441 HG SER 51 HG SER 51 5.398 6.872 6.907 442 HB2 SER 51 1HB SER 51 3.541 5.835 6.429 443 HB3 SER 51 2HB SER 51 2.743 7.363 6.025 444 H ALA 52 H ALA 52 2.543 7.729 10.530 445 HA ALA 52 HA ALA 52 0.993 10.167 10.064 446 HB1 ALA 52 3HB ALA 52 1.040 10.302 12.587 447 HB2 ALA 52 1HB ALA 52 0.688 8.653 12.033 448 HB3 ALA 52 2HB ALA 52 2.313 9.064 12.636 449 H GLU 53 H GLU 53 1.400 12.288 10.516 450 HA GLU 53 HA GLU 53 4.200 13.193 9.918 451 HB2 GLU 53 1HB GLU 53 3.234 15.294 9.236 452 HB3 GLU 53 2HB GLU 53 2.516 13.911 8.474 453 HG2 GLU 53 1HG GLU 53 0.509 14.206 10.238 454 HG3 GLU 53 2HG GLU 53 1.200 15.799 10.521 455 H ASN 54 H ASN 54 2.405 13.188 12.845 456 HA ASN 54 HA ASN 54 4.673 14.657 14.195 457 HB2 ASN 54 1HB ASN 54 1.737 15.560 14.553 458 HB3 ASN 54 2HB ASN 54 2.982 15.943 15.710 459 HD21 ASN 54 1HD2 ASN 54 1.851 16.692 12.520 460 HD22 ASN 54 2HD2 ASN 54 2.968 18.138 12.331 461 H ASP 55 H ASP 55 4.680 14.354 16.541 462 HA ASP 55 HA ASP 55 4.381 11.546 17.276 463 HB2 ASP 55 1HB ASP 55 5.316 12.211 19.425 464 HB3 ASP 55 2HB ASP 55 6.231 12.877 18.096 465 H GLU 56 H GLU 56 2.529 14.357 18.537 466 HA GLU 56 HA GLU 56 0.635 12.785 20.100 467 HB2 GLU 56 1HB GLU 56 0.297 15.563 18.838 468 HB3 GLU 56 2HB GLU 56 -0.921 14.834 19.860 469 HG2 GLU 56 1HG GLU 56 1.950 15.510 20.783 470 HG3 GLU 56 2HG GLU 56 0.491 16.425 21.156 471 H GLN 57 H GLN 57 0.065 13.972 16.726 472 HA GLN 57 HA GLN 57 -2.313 12.389 16.272 473 HB2 GLN 57 1HB GLN 57 -0.221 13.199 14.136 474 HB3 GLN 57 2HB GLN 57 -1.802 12.524 13.834 475 HG2 GLN 57 1HG GLN 57 -2.414 14.689 13.579 476 HG3 GLN 57 2HG GLN 57 -2.767 14.564 15.280 477 HE21 GLN 57 1HE2 GLN 57 -1.582 16.669 13.190 478 HE22 GLN 57 2HE2 GLN 57 -0.386 17.516 14.304 479 H ALA 58 H ALA 58 1.075 11.274 15.786 480 HA ALA 58 HA ALA 58 0.457 8.498 15.038 481 HB1 ALA 58 3HB ALA 58 2.748 9.535 14.885 482 HB2 ALA 58 1HB ALA 58 2.848 9.622 16.653 483 HB3 ALA 58 2HB ALA 58 2.784 8.044 15.844 484 H LYS 59 H LYS 59 0.899 9.873 18.342 485 HA LYS 59 HA LYS 59 0.135 7.466 19.857 486 HB2 LYS 59 1HB LYS 59 -0.044 10.460 20.518 487 HB3 LYS 59 2HB LYS 59 -0.469 9.218 21.682 488 HG2 LYS 59 1HG LYS 59 1.791 8.325 21.794 489 HG3 LYS 59 2HG LYS 59 2.298 9.182 20.356 490 HD2 LYS 59 1HD LYS 59 3.289 10.263 22.229 491 HD3 LYS 59 2HD LYS 59 2.209 11.389 21.469 492 HE2 LYS 59 1HE LYS 59 1.209 9.737 23.903 493 HE3 LYS 59 2HE LYS 59 2.363 11.042 24.175 494 HZ1 LYS 59 3HZ LYS 59 -0.011 11.906 24.270 495 HZ2 LYS 59 1HZ LYS 59 0.890 12.663 23.128 496 HZ3 LYS 59 2HZ LYS 59 -0.204 11.550 22.665 497 H GLU 60 H GLU 60 -2.034 10.162 18.782 498 HA GLU 60 HA GLU 60 -4.563 8.931 19.613 499 HB2 GLU 60 1HB GLU 60 -3.984 10.818 17.247 500 HB3 GLU 60 2HB GLU 60 -5.591 10.402 17.809 501 HG2 GLU 60 1HG GLU 60 -5.155 11.516 20.035 502 HG3 GLU 60 2HG GLU 60 -3.518 11.923 19.522 503 H LEU 61 H LEU 61 -2.969 8.737 16.389 504 HA LEU 61 HA LEU 61 -4.880 6.827 15.237 505 HG LEU 61 HG LEU 61 -3.678 9.414 14.193 506 HB2 LEU 61 1HB LEU 61 -1.984 7.468 14.466 507 HB3 LEU 61 2HB LEU 61 -3.038 6.477 13.494 508 HD11 LEU 61 1HD1 LEU 61 -2.356 8.274 11.653 509 HD12 LEU 61 2HD1 LEU 61 -2.885 9.960 11.885 510 HD13 LEU 61 3HD1 LEU 61 -1.585 9.296 12.889 511 HD21 LEU 61 3HD2 LEU 61 -4.986 7.551 12.105 512 HD22 LEU 61 1HD2 LEU 61 -5.742 8.200 13.577 513 HD23 LEU 61 2HD2 LEU 61 -5.285 9.295 12.267 514 H LEU 62 H LEU 62 -1.798 6.139 16.915 515 HA LEU 62 HA LEU 62 -1.863 3.223 16.912 516 HG LEU 62 HG LEU 62 -1.105 3.375 20.338 517 HB2 LEU 62 1HB LEU 62 0.042 4.508 17.717 518 HB3 LEU 62 2HB LEU 62 -0.913 5.345 18.911 519 HD11 LEU 62 1HD1 LEU 62 -1.164 1.484 18.772 520 HD12 LEU 62 2HD1 LEU 62 0.472 1.853 18.162 521 HD13 LEU 62 3HD1 LEU 62 0.235 1.263 19.829 522 HD21 LEU 62 3HD2 LEU 62 0.901 4.875 20.548 523 HD22 LEU 62 1HD2 LEU 62 1.303 3.205 20.986 524 HD23 LEU 62 2HD2 LEU 62 1.809 3.854 19.407 525 H GLU 63 H GLU 63 -3.422 5.382 19.335 526 HA GLU 63 HA GLU 63 -4.939 3.236 20.654 527 HB2 GLU 63 1HB GLU 63 -5.329 6.283 20.585 528 HB3 GLU 63 2HB GLU 63 -6.361 5.238 21.531 529 HG2 GLU 63 1HG GLU 63 -3.291 5.328 21.948 530 HG3 GLU 63 2HG GLU 63 -4.426 6.343 22.818 531 H LEU 64 H LEU 64 -6.033 5.492 18.069 532 HA LEU 64 HA LEU 64 -8.703 4.389 17.726 533 HG LEU 64 HG LEU 64 -8.963 4.755 14.575 534 HB2 LEU 64 1HB LEU 64 -7.831 6.567 16.801 535 HB3 LEU 64 2HB LEU 64 -6.856 5.669 15.660 536 HD11 LEU 64 1HD1 LEU 64 -11.168 5.872 15.086 537 HD12 LEU 64 2HD1 LEU 64 -10.597 4.928 16.468 538 HD13 LEU 64 3HD1 LEU 64 -10.439 6.703 16.482 539 HD21 LEU 64 3HD2 LEU 64 -9.577 6.928 13.463 540 HD22 LEU 64 1HD2 LEU 64 -8.749 7.837 14.750 541 HD23 LEU 64 2HD2 LEU 64 -7.820 6.778 13.659 542 H ILE 65 H ILE 65 -5.728 3.357 15.951 543 HA ILE 65 HA ILE 65 -7.058 1.085 14.574 544 HB ILE 65 HB ILE 65 -4.087 1.483 15.162 545 HG12 ILE 65 1HG1 ILE 65 -5.591 1.956 12.501 546 HG13 ILE 65 2HG1 ILE 65 -5.116 3.232 13.602 547 HG21 ILE 65 1HG2 ILE 65 -5.358 -0.486 13.123 548 HG22 ILE 65 2HG2 ILE 65 -3.622 -0.295 13.480 549 HG23 ILE 65 3HG2 ILE 65 -4.679 -0.984 14.692 550 HD11 ILE 65 3HD1 ILE 65 -3.450 3.101 11.800 551 HD12 ILE 65 1HD1 ILE 65 -2.656 2.604 13.316 552 HD13 ILE 65 2HD1 ILE 65 -3.128 1.394 12.103 553 H ALA 66 H ALA 66 -5.143 1.132 17.673 554 HA ALA 66 HA ALA 66 -5.527 -1.719 18.214 555 HB1 ALA 66 3HB ALA 66 -4.993 0.627 20.173 556 HB2 ALA 66 1HB ALA 66 -4.765 -1.101 20.545 557 HB3 ALA 66 2HB ALA 66 -3.762 -0.319 19.310 558 H ARG 67 H ARG 67 -7.697 1.001 19.193 559 HA ARG 67 HA ARG 67 -9.672 -0.849 20.491 560 HE ARG 67 HE ARG 67 -9.467 2.319 24.466 561 HB2 ARG 67 1HB ARG 67 -10.308 1.892 19.279 562 HB3 ARG 67 2HB ARG 67 -11.340 0.945 20.328 563 HG2 ARG 67 1HG ARG 67 -8.796 2.457 21.060 564 HG3 ARG 67 2HG ARG 67 -10.419 2.769 21.606 565 HD2 ARG 67 1HD ARG 67 -10.416 0.650 22.980 566 HD3 ARG 67 2HD ARG 67 -8.813 0.229 22.413 567 HH11 ARG 67 2HH1 ARG 67 -7.020 1.416 22.149 568 HH12 ARG 67 1HH1 ARG 67 -5.728 2.412 23.033 569 HH21 ARG 67 2HH2 ARG 67 -7.986 3.449 25.402 570 HH22 ARG 67 1HH2 ARG 67 -6.310 3.590 24.666 571 H LEU 68 H LEU 68 -9.398 0.396 17.126 572 HA LEU 68 HA LEU 68 -11.757 -0.885 16.015 573 HG LEU 68 HG LEU 68 -10.683 -1.618 13.208 574 HB2 LEU 68 1HB LEU 68 -10.268 0.895 14.948 575 HB3 LEU 68 2HB LEU 68 -9.019 -0.307 14.726 576 HD11 LEU 68 1HD1 LEU 68 -12.555 -0.204 12.228 577 HD12 LEU 68 2HD1 LEU 68 -12.845 -0.619 13.921 578 HD13 LEU 68 3HD1 LEU 68 -12.294 1.017 13.480 579 HD21 LEU 68 3HD2 LEU 68 -9.809 1.225 12.380 580 HD22 LEU 68 1HD2 LEU 68 -8.827 -0.253 12.270 581 HD23 LEU 68 2HD2 LEU 68 -10.275 -0.076 11.260 582 H LEU 69 H LEU 69 -8.414 -2.247 16.042 583 HA LEU 69 HA LEU 69 -9.377 -4.898 15.074 584 HG LEU 69 HG LEU 69 -5.868 -4.585 13.792 585 HB2 LEU 69 1HB LEU 69 -6.639 -3.899 16.036 586 HB3 LEU 69 2HB LEU 69 -6.915 -5.568 15.663 587 HD11 LEU 69 1HD1 LEU 69 -8.797 -4.922 12.871 588 HD12 LEU 69 2HD1 LEU 69 -7.312 -5.202 11.928 589 HD13 LEU 69 3HD1 LEU 69 -7.728 -6.276 13.276 590 HD21 LEU 69 3HD2 LEU 69 -6.546 -2.204 14.096 591 HD22 LEU 69 1HD2 LEU 69 -6.647 -2.764 12.409 592 HD23 LEU 69 2HD2 LEU 69 -8.132 -2.566 13.376 593 H GLN 70 H GLN 70 -8.794 -3.776 18.386 594 HA GLN 70 HA GLN 70 -9.415 -6.421 19.635 595 HB2 GLN 70 1HB GLN 70 -9.696 -3.551 20.710 596 HB3 GLN 70 2HB GLN 70 -10.119 -4.970 21.653 597 HG2 GLN 70 1HG GLN 70 -7.796 -5.857 21.554 598 HG3 GLN 70 2HG GLN 70 -7.285 -4.558 20.497 599 HE21 GLN 70 1HE2 GLN 70 -7.250 -2.397 21.393 600 HE22 GLN 70 2HE2 GLN 70 -6.965 -2.234 23.222 601 H LYS 71 H LYS 71 -11.549 -3.637 18.772 602 HA LYS 71 HA LYS 71 -14.121 -4.903 19.321 603 HB2 LYS 71 1HB LYS 71 -13.759 -2.484 18.874 604 HB3 LYS 71 2HB LYS 71 -13.258 -2.820 17.228 605 HG2 LYS 71 1HG LYS 71 -15.593 -3.702 16.709 606 HG3 LYS 71 2HG LYS 71 -16.091 -3.312 18.354 607 HD2 LYS 71 1HD LYS 71 -15.623 -0.862 17.951 608 HD3 LYS 71 2HD LYS 71 -14.872 -1.230 16.415 609 HE2 LYS 71 1HE LYS 71 -17.024 -0.356 15.852 610 HE3 LYS 71 2HE LYS 71 -17.061 -2.067 15.462 611 HZ1 LYS 71 3HZ LYS 71 -18.222 -2.452 17.662 612 HZ2 LYS 71 1HZ LYS 71 -18.211 -0.846 17.987 613 HZ3 LYS 71 2HZ LYS 71 -19.099 -1.424 16.726 614 H LEU 72 H LEU 72 -12.277 -5.029 16.211 615 HA LEU 72 HA LEU 72 -14.181 -7.060 15.073 616 HG LEU 72 HG LEU 72 -12.913 -4.971 12.184 617 HB2 LEU 72 1HB LEU 72 -11.646 -5.638 14.093 618 HB3 LEU 72 2HB LEU 72 -12.185 -7.042 13.246 619 HD11 LEU 72 1HD1 LEU 72 -15.320 -6.685 13.075 620 HD12 LEU 72 2HD1 LEU 72 -15.221 -5.653 11.631 621 HD13 LEU 72 3HD1 LEU 72 -14.184 -7.085 11.763 622 HD21 LEU 72 3HD2 LEU 72 -14.826 -4.520 14.558 623 HD22 LEU 72 1HD2 LEU 72 -13.415 -3.511 14.149 624 HD23 LEU 72 2HD2 LEU 72 -14.809 -3.598 13.046 625 H GLY 73 H GLY 73 -12.050 -7.748 17.419 626 HA2 GLY 73 1HA GLY 73 -11.482 -9.955 18.254 627 HA3 GLY 73 2HA GLY 73 -12.191 -10.659 16.824 628 H TYR 74 H TYR 74 -9.391 -8.458 16.949 629 HA TYR 74 HA TYR 74 -7.588 -10.706 15.843 630 HD1 TYR 74 HD2 TYR 74 -9.885 -8.079 14.188 631 HD2 TYR 74 HD1 TYR 74 -6.197 -9.903 12.949 632 HE1 TYR 74 HE2 TYR 74 -10.855 -8.549 11.977 633 HE2 TYR 74 HE1 TYR 74 -7.179 -10.381 10.746 634 HH TYR 74 HH TYR 74 -10.534 -9.466 9.984 635 HB2 TYR 74 1HB TYR 74 -7.636 -7.659 15.425 636 HB3 TYR 74 2HB TYR 74 -6.275 -8.634 15.006 637 H LYS 75 H LYS 75 -6.792 -11.531 17.713 638 HA LYS 75 HA LYS 75 -6.165 -9.827 20.011 639 HB2 LYS 75 1HB LYS 75 -5.977 -11.775 21.318 640 HB3 LYS 75 2HB LYS 75 -7.359 -11.917 20.262 641 HG2 LYS 75 1HG LYS 75 -6.094 -13.504 18.757 642 HG3 LYS 75 2HG LYS 75 -4.655 -13.357 19.738 643 HD2 LYS 75 1HD LYS 75 -7.363 -14.429 20.788 644 HD3 LYS 75 2HD LYS 75 -6.094 -15.442 20.115 645 HE2 LYS 75 1HE LYS 75 -4.463 -14.649 21.915 646 HE3 LYS 75 2HE LYS 75 -5.728 -13.648 22.627 647 HZ1 LYS 75 3HZ LYS 75 -5.927 -16.648 22.309 648 HZ2 LYS 75 1HZ LYS 75 -5.642 -15.876 23.733 649 HZ3 LYS 75 2HZ LYS 75 -7.092 -15.709 22.977 650 H ASP 76 H ASP 76 -3.788 -11.549 17.938 651 HA ASP 76 HA ASP 76 -1.572 -10.903 19.915 652 HB2 ASP 76 1HB ASP 76 -1.700 -13.125 18.840 653 HB3 ASP 76 2HB ASP 76 -1.552 -12.405 17.250 654 H ILE 77 H ILE 77 -1.686 -8.705 19.882 655 HA ILE 77 HA ILE 77 -1.405 -7.120 17.336 656 HB ILE 77 HB ILE 77 -1.973 -6.239 20.213 657 HG12 ILE 77 1HG1 ILE 77 -4.015 -6.278 17.890 658 HG13 ILE 77 2HG1 ILE 77 -3.801 -7.657 18.921 659 HG21 ILE 77 1HG2 ILE 77 -2.163 -4.520 17.642 660 HG22 ILE 77 2HG2 ILE 77 -2.680 -4.012 19.264 661 HG23 ILE 77 3HG2 ILE 77 -0.974 -4.318 18.948 662 HD11 ILE 77 3HD1 ILE 77 -4.736 -4.892 19.896 663 HD12 ILE 77 1HD1 ILE 77 -5.700 -6.375 19.718 664 HD13 ILE 77 2HD1 ILE 77 -4.427 -6.297 20.958 665 H ASN 78 H ASN 78 0.631 -7.058 16.609 666 HA ASN 78 HA ASN 78 2.968 -6.565 18.532 667 HB2 ASN 78 1HB ASN 78 2.855 -7.845 15.728 668 HB3 ASN 78 2HB ASN 78 4.324 -7.533 16.617 669 HD21 ASN 78 1HD2 ASN 78 1.432 -9.481 16.614 670 HD22 ASN 78 2HD2 ASN 78 2.009 -10.636 17.903 671 H VAL 79 H VAL 79 3.107 -4.377 18.711 672 HA VAL 79 HA VAL 79 3.052 -2.616 16.301 673 HB VAL 79 HB VAL 79 1.717 -2.097 18.271 674 HG11 VAL 79 1HG1 VAL 79 4.309 -1.391 19.806 675 HG12 VAL 79 2HG1 VAL 79 2.642 -1.078 20.346 676 HG13 VAL 79 3HG1 VAL 79 3.225 -2.744 20.191 677 HG21 VAL 79 3HG2 VAL 79 2.387 -0.280 16.681 678 HG22 VAL 79 1HG2 VAL 79 2.148 0.325 18.337 679 HG23 VAL 79 2HG2 VAL 79 3.793 0.105 17.701 680 H ARG 80 H ARG 80 4.705 -1.790 15.272 681 HA ARG 80 HA ARG 80 7.229 -1.039 16.854 682 HE ARG 80 HE ARG 80 12.144 -1.270 14.259 683 HB2 ARG 80 1HB ARG 80 7.800 -2.945 15.307 684 HB3 ARG 80 2HB ARG 80 7.283 -1.982 13.928 685 HG2 ARG 80 1HG ARG 80 9.043 -0.201 14.606 686 HG3 ARG 80 2HG ARG 80 9.600 -1.276 15.875 687 HD2 ARG 80 1HD ARG 80 10.371 -2.959 14.247 688 HD3 ARG 80 2HD ARG 80 9.580 -2.171 12.902 689 HH11 ARG 80 2HH1 ARG 80 9.639 -0.294 12.032 690 HH12 ARG 80 1HH1 ARG 80 10.688 1.092 11.411 691 HH21 ARG 80 2HH2 ARG 80 13.260 0.343 13.486 692 HH22 ARG 80 1HH2 ARG 80 12.542 1.404 12.179 693 H VAL 81 H VAL 81 7.176 1.115 17.054 694 HA VAL 81 HA VAL 81 5.915 2.868 14.925 695 HB VAL 81 HB VAL 81 7.063 3.781 17.604 696 HG11 VAL 81 1HG1 VAL 81 5.719 5.872 17.174 697 HG12 VAL 81 2HG1 VAL 81 6.909 5.633 15.892 698 HG13 VAL 81 3HG1 VAL 81 5.204 5.244 15.589 699 HG21 VAL 81 3HG2 VAL 81 5.094 2.332 18.093 700 HG22 VAL 81 1HG2 VAL 81 4.631 4.021 18.336 701 HG23 VAL 81 2HG2 VAL 81 4.119 3.160 16.864 702 H ASN 82 H ASN 82 7.131 3.566 13.290 703 HA ASN 82 HA ASN 82 10.191 3.591 13.445 704 HB2 ASN 82 1HB ASN 82 8.782 2.516 11.498 705 HB3 ASN 82 2HB ASN 82 8.406 4.140 11.007 706 HD21 ASN 82 1HD2 ASN 82 9.680 4.781 9.324 707 HD22 ASN 82 2HD2 ASN 82 11.422 4.227 9.136 708 H GLY 83 H GLY 83 9.921 5.357 15.050 709 HA2 GLY 83 1HA GLY 83 10.408 7.716 15.570 710 HA3 GLY 83 2HA GLY 83 10.268 8.152 13.881 711 H THR 84 H THR 84 8.122 8.202 13.003 712 HA THR 84 HA THR 84 5.845 8.782 14.983 713 HB THR 84 HB THR 84 4.744 10.227 13.331 714 HG1 THR 84 HG1 THR 84 5.442 10.418 11.392 715 HG21 THR 84 3HG2 THR 84 6.136 12.250 13.466 716 HG22 THR 84 1HG2 THR 84 6.206 11.376 15.018 717 HG23 THR 84 2HG2 THR 84 7.576 11.291 13.880 718 H GLU 85 H GLU 85 6.801 6.868 12.193 719 HA GLU 85 HA GLU 85 4.062 6.357 11.241 720 HB2 GLU 85 1HB GLU 85 6.519 4.708 10.520 721 HB3 GLU 85 2HB GLU 85 5.053 4.880 9.598 722 HG2 GLU 85 1HG GLU 85 5.724 7.345 9.130 723 HG3 GLU 85 2HG GLU 85 7.215 7.065 10.018 724 H VAL 86 H VAL 86 2.664 4.955 12.141 725 HA VAL 86 HA VAL 86 3.667 3.010 14.263 726 HB VAL 86 HB VAL 86 0.848 4.031 13.711 727 HG11 VAL 86 1HG1 VAL 86 1.850 2.315 16.077 728 HG12 VAL 86 2HG1 VAL 86 0.228 3.037 15.912 729 HG13 VAL 86 3HG1 VAL 86 0.746 1.790 14.781 730 HG21 VAL 86 3HG2 VAL 86 2.744 4.809 16.024 731 HG22 VAL 86 1HG2 VAL 86 2.332 5.842 14.643 732 HG23 VAL 86 2HG2 VAL 86 1.072 5.368 15.783 733 H LYS 87 H LYS 87 4.345 1.137 13.335 734 HA LYS 87 HA LYS 87 2.650 -0.268 11.258 735 HB2 LYS 87 1HB LYS 87 5.321 -0.043 11.309 736 HB3 LYS 87 2HB LYS 87 5.255 -1.405 12.381 737 HG2 LYS 87 1HG LYS 87 3.508 -2.016 10.059 738 HG3 LYS 87 2HG LYS 87 4.917 -1.203 9.457 739 HD2 LYS 87 1HD LYS 87 5.524 -3.404 9.241 740 HD3 LYS 87 2HD LYS 87 6.387 -2.958 10.706 741 HE2 LYS 87 1HE LYS 87 4.627 -4.098 12.127 742 HE3 LYS 87 2HE LYS 87 3.607 -4.365 10.716 743 HZ1 LYS 87 3HZ LYS 87 5.253 -5.889 9.755 744 HZ2 LYS 87 1HZ LYS 87 6.393 -5.544 10.900 745 HZ3 LYS 87 2HZ LYS 87 5.057 -6.434 11.272 746 H ILE 88 H ILE 88 0.833 -0.928 12.345 747 HA ILE 88 HA ILE 88 1.104 -2.772 14.775 748 HB ILE 88 HB ILE 88 -1.216 -1.229 13.556 749 HG12 ILE 88 1HG1 ILE 88 -0.324 -1.430 16.509 750 HG13 ILE 88 2HG1 ILE 88 0.462 -0.337 15.396 751 HG21 ILE 88 1HG2 ILE 88 -1.508 -3.566 15.546 752 HG22 ILE 88 2HG2 ILE 88 -2.762 -2.328 15.281 753 HG23 ILE 88 3HG2 ILE 88 -2.270 -3.368 13.943 754 HD11 ILE 88 3HD1 ILE 88 -1.244 0.932 16.590 755 HD12 ILE 88 1HD1 ILE 88 -1.758 0.811 14.899 756 HD13 ILE 88 2HD1 ILE 88 -2.526 -0.207 16.151 757 H GLU 89 H GLU 89 1.604 -4.753 14.309 758 HA GLU 89 HA GLU 89 0.438 -6.217 11.893 759 HB2 GLU 89 1HB GLU 89 2.838 -6.115 12.106 760 HB3 GLU 89 2HB GLU 89 2.837 -6.762 13.731 761 HG2 GLU 89 1HG GLU 89 2.171 -8.991 12.967 762 HG3 GLU 89 2HG GLU 89 1.675 -8.400 11.397 763 H VAL 90 H VAL 90 -1.542 -6.946 12.436 764 HA VAL 90 HA VAL 90 -1.949 -8.248 15.178 765 HB VAL 90 HB VAL 90 -4.252 -8.047 15.078 766 HG11 VAL 90 1HG1 VAL 90 -4.479 -5.668 15.546 767 HG12 VAL 90 2HG1 VAL 90 -2.833 -6.144 16.012 768 HG13 VAL 90 3HG1 VAL 90 -3.093 -5.278 14.500 769 HG21 VAL 90 3HG2 VAL 90 -5.579 -6.813 13.480 770 HG22 VAL 90 1HG2 VAL 90 -4.162 -6.260 12.566 771 HG23 VAL 90 2HG2 VAL 90 -4.681 -7.968 12.509 772 H ARG 91 H ARG 91 -1.712 -10.293 15.264 773 HA ARG 91 HA ARG 91 -2.166 -12.056 12.810 774 HE ARG 91 HE ARG 91 0.232 -14.308 16.364 775 HB2 ARG 91 1HB ARG 91 0.078 -11.782 13.801 776 HB3 ARG 91 2HB ARG 91 -0.437 -12.425 15.333 777 HG2 ARG 91 1HG ARG 91 -0.502 -14.000 12.667 778 HG3 ARG 91 2HG ARG 91 0.904 -13.931 13.698 779 HD2 ARG 91 1HD ARG 91 -1.789 -15.188 14.519 780 HD3 ARG 91 2HD ARG 91 -0.355 -16.049 13.958 781 HH11 ARG 91 2HH1 ARG 91 -1.151 -17.395 15.540 782 HH12 ARG 91 1HH1 ARG 91 -0.683 -18.077 17.177 783 HH21 ARG 91 2HH2 ARG 91 0.640 -15.000 18.050 784 HH22 ARG 91 1HH2 ARG 91 0.326 -16.744 18.602 785 H VAL 92 H VAL 92 -3.760 -13.487 12.713 786 HA VAL 92 HA VAL 92 -5.475 -14.136 15.163 787 HB VAL 92 HB VAL 92 -5.931 -14.875 12.201 788 HG11 VAL 92 1HG1 VAL 92 -8.315 -15.308 12.877 789 HG12 VAL 92 2HG1 VAL 92 -7.233 -16.385 13.767 790 HG13 VAL 92 3HG1 VAL 92 -7.926 -14.960 14.577 791 HG21 VAL 92 3HG2 VAL 92 -7.677 -13.077 12.143 792 HG22 VAL 92 1HG2 VAL 92 -7.224 -12.550 13.783 793 HG23 VAL 92 2HG2 VAL 92 -6.077 -12.398 12.430 Start of MODEL 7 1 H HIS -1 H HIS -1 4.938 17.105 3.668 2 HA HIS -1 HA HIS -1 5.034 15.880 1.674 3 HD2 HIS -1 HD2 HIS -1 8.902 16.471 2.683 4 HE1 HIS -1 HE1 HIS -1 8.841 16.287 -1.485 5 HE2 HIS -1 HE2 HIS -1 10.078 17.415 0.477 6 HB2 HIS -1 1HB HIS -1 7.238 14.278 3.110 7 HB3 HIS -1 2HB HIS -1 6.408 13.651 1.705 8 H MET 0 H MET 0 5.351 13.791 4.591 9 HA MET 0 HA MET 0 2.707 12.468 3.900 10 HB2 MET 0 1HB MET 0 3.191 10.800 5.588 11 HB3 MET 0 2HB MET 0 4.525 10.942 4.468 12 HG2 MET 0 1HG MET 0 5.890 12.175 6.191 13 HG3 MET 0 2HG MET 0 4.521 12.163 7.319 14 HE1 MET 0 3HE MET 0 7.710 10.761 7.457 15 HE2 MET 0 1HE MET 0 6.623 11.241 8.796 16 HE3 MET 0 2HE MET 0 7.208 9.555 8.684 17 H LYS 1 H LYS 1 0.866 12.968 4.891 18 HA LYS 1 HA LYS 1 0.844 14.443 7.601 19 HB2 LYS 1 1HB LYS 1 -1.107 14.623 5.276 20 HB3 LYS 1 2HB LYS 1 -1.771 14.596 6.880 21 HG2 LYS 1 1HG LYS 1 -1.540 16.869 6.162 22 HG3 LYS 1 2HG LYS 1 -0.624 16.591 7.614 23 HD2 LYS 1 1HD LYS 1 0.889 16.387 4.963 24 HD3 LYS 1 2HD LYS 1 0.296 17.972 5.368 25 HE2 LYS 1 1HE LYS 1 2.104 16.308 7.259 26 HE3 LYS 1 2HE LYS 1 2.731 17.440 6.081 27 HZ1 LYS 1 3HZ LYS 1 1.596 18.000 8.705 28 HZ2 LYS 1 1HZ LYS 1 2.365 19.072 7.698 29 HZ3 LYS 1 2HZ LYS 1 0.727 18.808 7.591 30 H VAL 2 H VAL 2 -1.447 12.184 6.070 31 HA VAL 2 HA VAL 2 -0.783 10.128 8.261 32 HB VAL 2 HB VAL 2 -3.636 10.931 7.454 33 HG11 VAL 2 1HG1 VAL 2 -2.709 8.773 9.469 34 HG12 VAL 2 2HG1 VAL 2 -4.393 9.301 9.232 35 HG13 VAL 2 3HG1 VAL 2 -3.535 8.484 7.925 36 HG21 VAL 2 3HG2 VAL 2 -2.147 11.350 10.134 37 HG22 VAL 2 1HG2 VAL 2 -2.759 12.608 9.051 38 HG23 VAL 2 2HG2 VAL 2 -3.901 11.575 9.924 39 H ASP 3 H ASP 3 0.414 8.890 6.850 40 HA ASP 3 HA ASP 3 -0.747 7.953 4.238 41 HB2 ASP 3 1HB ASP 3 1.658 8.479 4.364 42 HB3 ASP 3 2HB ASP 3 1.868 7.269 5.613 43 H ILE 4 H ILE 4 -2.272 6.447 4.292 44 HA ILE 4 HA ILE 4 -2.421 4.479 6.612 45 HB ILE 4 HB ILE 4 -4.524 5.242 4.527 46 HG12 ILE 4 1HG1 ILE 4 -4.421 6.070 7.501 47 HG13 ILE 4 2HG1 ILE 4 -3.994 7.106 6.155 48 HG21 ILE 4 1HG2 ILE 4 -4.970 3.520 7.046 49 HG22 ILE 4 2HG2 ILE 4 -6.201 4.028 5.879 50 HG23 ILE 4 3HG2 ILE 4 -4.937 2.924 5.364 51 HD11 ILE 4 3HD1 ILE 4 -6.246 7.702 6.855 52 HD12 ILE 4 1HD1 ILE 4 -6.345 6.980 5.231 53 HD13 ILE 4 2HD1 ILE 4 -6.834 6.042 6.670 54 H THR 5 H THR 5 -0.667 3.184 5.939 55 HA THR 5 HA THR 5 -0.880 1.715 3.284 56 HB THR 5 HB THR 5 1.453 2.343 5.134 57 HG1 THR 5 HG1 THR 5 1.381 3.928 3.636 58 HG21 THR 5 3HG2 THR 5 2.917 1.130 3.509 59 HG22 THR 5 1HG2 THR 5 1.858 -0.013 4.367 60 HG23 THR 5 2HG2 THR 5 1.488 0.461 2.683 61 H ILE 6 H ILE 6 -2.191 0.101 3.425 62 HA ILE 6 HA ILE 6 -2.239 -1.721 5.891 63 HB ILE 6 HB ILE 6 -4.390 -1.296 3.752 64 HG12 ILE 6 1HG1 ILE 6 -4.120 0.847 4.824 65 HG13 ILE 6 2HG1 ILE 6 -5.659 0.144 5.206 66 HG21 ILE 6 1HG2 ILE 6 -5.960 -2.341 5.454 67 HG22 ILE 6 2HG2 ILE 6 -4.704 -3.451 4.892 68 HG23 ILE 6 3HG2 ILE 6 -4.562 -2.698 6.495 69 HD11 ILE 6 3HD1 ILE 6 -4.966 -0.344 7.533 70 HD12 ILE 6 1HD1 ILE 6 -3.257 0.064 7.171 71 HD13 ILE 6 2HD1 ILE 6 -4.503 1.321 7.173 72 H LYS 7 H LYS 7 -0.865 -3.416 5.487 73 HA LYS 7 HA LYS 7 -0.950 -4.754 2.729 74 HB2 LYS 7 1HB LYS 7 1.236 -3.855 3.421 75 HB3 LYS 7 2HB LYS 7 1.251 -4.920 4.810 76 HG2 LYS 7 1HG LYS 7 0.939 -6.891 3.124 77 HG3 LYS 7 2HG LYS 7 1.201 -5.765 1.819 78 HD2 LYS 7 1HD LYS 7 3.247 -6.081 4.118 79 HD3 LYS 7 2HD LYS 7 3.219 -7.233 2.823 80 HE2 LYS 7 1HE LYS 7 3.481 -4.205 2.208 81 HE3 LYS 7 2HE LYS 7 4.884 -5.156 2.685 82 HZ1 LYS 7 3HZ LYS 7 4.512 -5.096 0.163 83 HZ2 LYS 7 1HZ LYS 7 4.449 -6.674 0.701 84 HZ3 LYS 7 2HZ LYS 7 3.125 -5.767 0.274 85 H ILE 8 H ILE 8 -2.571 -6.049 2.723 86 HA ILE 8 HA ILE 8 -3.286 -7.872 5.051 87 HB ILE 8 HB ILE 8 -4.573 -7.112 2.379 88 HG12 ILE 8 1HG1 ILE 8 -5.976 -7.068 5.102 89 HG13 ILE 8 2HG1 ILE 8 -4.735 -5.869 4.841 90 HG21 ILE 8 1HG2 ILE 8 -5.164 -9.462 2.449 91 HG22 ILE 8 2HG2 ILE 8 -5.557 -9.405 4.180 92 HG23 ILE 8 3HG2 ILE 8 -6.586 -8.569 2.988 93 HD11 ILE 8 3HD1 ILE 8 -7.120 -6.178 2.907 94 HD12 ILE 8 1HD1 ILE 8 -7.030 -5.013 4.247 95 HD13 ILE 8 2HD1 ILE 8 -5.882 -4.893 2.893 96 H GLN 9 H GLN 9 -1.643 -9.329 5.262 97 HA GLN 9 HA GLN 9 -0.805 -11.142 2.975 98 HB2 GLN 9 1HB GLN 9 0.981 -10.536 4.332 99 HB3 GLN 9 2HB GLN 9 0.140 -10.858 5.822 100 HG2 GLN 9 1HG GLN 9 1.924 -12.550 5.321 101 HG3 GLN 9 2HG GLN 9 0.353 -13.259 5.582 102 HE21 GLN 9 1HE2 GLN 9 2.711 -12.658 2.935 103 HE22 GLN 9 2HE2 GLN 9 2.002 -14.042 2.019 104 H ARG 10 H ARG 10 -2.486 -12.168 2.300 105 HA ARG 10 HA ARG 10 -4.467 -13.428 4.231 106 HE ARG 10 HE ARG 10 -6.693 -15.226 0.797 107 HB2 ARG 10 1HB ARG 10 -4.856 -11.666 2.134 108 HB3 ARG 10 2HB ARG 10 -5.007 -13.125 1.234 109 HG2 ARG 10 1HG ARG 10 -6.595 -13.249 3.789 110 HG3 ARG 10 2HG ARG 10 -6.942 -11.777 2.932 111 HD2 ARG 10 1HD ARG 10 -8.596 -13.524 2.400 112 HD3 ARG 10 2HD ARG 10 -7.724 -13.038 0.960 113 HH11 ARG 10 2HH1 ARG 10 -8.112 -15.025 4.047 114 HH12 ARG 10 1HH1 ARG 10 -7.334 -16.673 4.385 115 HH21 ARG 10 2HH2 ARG 10 -5.844 -16.937 1.479 116 HH22 ARG 10 1HH2 ARG 10 -6.330 -17.613 3.104 117 H ASP 11 H ASP 11 -2.710 -15.030 4.568 118 HA ASP 11 HA ASP 11 -1.963 -17.224 4.560 119 HB2 ASP 11 1HB ASP 11 -4.335 -18.250 2.988 120 HB3 ASP 11 2HB ASP 11 -3.298 -19.113 4.080 121 H GLY 12 H GLY 12 -0.490 -16.016 3.027 122 HA2 GLY 12 1HA GLY 12 1.295 -16.673 1.405 123 HA3 GLY 12 2HA GLY 12 0.202 -17.788 0.623 124 H GLN 13 H GLN 13 -0.563 -14.373 1.369 125 HA GLN 13 HA GLN 13 0.243 -13.356 -1.300 126 HB2 GLN 13 1HB GLN 13 -1.886 -14.651 -1.880 127 HB3 GLN 13 2HB GLN 13 -2.808 -13.604 -0.824 128 HG2 GLN 13 1HG GLN 13 -2.291 -11.615 -2.267 129 HG3 GLN 13 2HG GLN 13 -1.187 -12.550 -3.255 130 HE21 GLN 13 1HE2 GLN 13 -2.102 -14.003 -4.789 131 HE22 GLN 13 2HE2 GLN 13 -3.905 -13.939 -5.174 132 H GLU 14 H GLU 14 1.264 -11.582 -0.150 133 HA GLU 14 HA GLU 14 -0.385 -9.754 1.449 134 HB2 GLU 14 1HB GLU 14 1.600 -8.117 1.160 135 HB3 GLU 14 2HB GLU 14 1.585 -9.419 2.303 136 HG2 GLU 14 1HG GLU 14 3.044 -9.614 -0.415 137 HG3 GLU 14 2HG GLU 14 3.790 -9.012 1.066 138 H ILE 15 H ILE 15 -1.888 -8.501 0.790 139 HA ILE 15 HA ILE 15 -1.613 -6.932 -1.844 140 HB ILE 15 HB ILE 15 -4.175 -7.272 -0.185 141 HG12 ILE 15 1HG1 ILE 15 -4.866 -8.625 -2.449 142 HG13 ILE 15 2HG1 ILE 15 -3.153 -8.981 -2.518 143 HG21 ILE 15 1HG2 ILE 15 -4.119 -5.200 -1.620 144 HG22 ILE 15 2HG2 ILE 15 -3.796 -6.191 -3.058 145 HG23 ILE 15 3HG2 ILE 15 -5.338 -6.347 -2.181 146 HD11 ILE 15 3HD1 ILE 15 -4.501 -10.772 -1.345 147 HD12 ILE 15 1HD1 ILE 15 -3.343 -10.070 -0.204 148 HD13 ILE 15 2HD1 ILE 15 -5.054 -9.599 -0.128 149 H GLU 16 H GLU 16 -0.199 -5.239 -1.100 150 HA GLU 16 HA GLU 16 -0.982 -3.485 1.105 151 HB2 GLU 16 1HB GLU 16 0.641 -1.806 0.214 152 HB3 GLU 16 2HB GLU 16 1.229 -3.306 0.838 153 HG2 GLU 16 1HG GLU 16 0.832 -3.160 -2.204 154 HG3 GLU 16 2HG GLU 16 2.114 -2.189 -1.497 155 H ILE 17 H ILE 17 -2.505 -2.212 1.252 156 HA ILE 17 HA ILE 17 -3.522 -0.511 -1.137 157 HB ILE 17 HB ILE 17 -4.991 -1.207 1.449 158 HG12 ILE 17 1HG1 ILE 17 -4.966 -3.220 0.117 159 HG13 ILE 17 2HG1 ILE 17 -6.579 -2.557 0.129 160 HG21 ILE 17 1HG2 ILE 17 -7.026 -0.155 0.429 161 HG22 ILE 17 2HG2 ILE 17 -5.726 1.020 0.663 162 HG23 ILE 17 3HG2 ILE 17 -6.062 0.387 -0.965 163 HD11 ILE 17 3HD1 ILE 17 -6.000 -3.422 -2.145 164 HD12 ILE 17 1HD1 ILE 17 -6.226 -1.662 -2.251 165 HD13 ILE 17 2HD1 ILE 17 -4.584 -2.356 -2.241 166 H ASP 18 H ASP 18 -2.001 1.126 -1.037 167 HA ASP 18 HA ASP 18 -1.532 2.591 1.555 168 HB2 ASP 18 1HB ASP 18 0.487 3.348 0.647 169 HB3 ASP 18 2HB ASP 18 0.366 1.632 0.390 170 H ILE 19 H ILE 19 -3.479 3.586 1.762 171 HA ILE 19 HA ILE 19 -4.241 5.718 -0.321 172 HB ILE 19 HB ILE 19 -6.503 5.743 0.713 173 HG12 ILE 19 1HG1 ILE 19 -5.785 3.053 2.037 174 HG13 ILE 19 2HG1 ILE 19 -5.931 4.560 2.910 175 HG21 ILE 19 1HG2 ILE 19 -5.969 4.635 -1.462 176 HG22 ILE 19 2HG2 ILE 19 -5.605 3.112 -0.626 177 HG23 ILE 19 3HG2 ILE 19 -7.262 3.764 -0.626 178 HD11 ILE 19 3HD1 ILE 19 -8.237 3.180 1.393 179 HD12 ILE 19 1HD1 ILE 19 -8.048 3.337 3.149 180 HD13 ILE 19 2HD1 ILE 19 -8.365 4.784 2.161 181 H ARG 20 H ARG 20 -2.595 7.020 0.371 182 HA ARG 20 HA ARG 20 -2.562 8.161 3.076 183 HE ARG 20 HE ARG 20 1.175 8.541 -2.091 184 HB2 ARG 20 1HB ARG 20 -0.595 9.387 2.428 185 HB3 ARG 20 2HB ARG 20 -0.545 7.722 1.895 186 HG2 ARG 20 1HG ARG 20 -1.210 8.595 -0.479 187 HG3 ARG 20 2HG ARG 20 -0.936 10.210 0.120 188 HD2 ARG 20 1HD ARG 20 1.339 10.013 -0.148 189 HD3 ARG 20 2HD ARG 20 1.450 8.663 0.930 190 HH11 ARG 20 2HH1 ARG 20 1.318 6.476 0.870 191 HH12 ARG 20 1HH1 ARG 20 1.206 5.037 -0.295 192 HH21 ARG 20 2HH2 ARG 20 1.145 6.735 -3.149 193 HH22 ARG 20 1HH2 ARG 20 1.173 5.139 -2.198 194 H VAL 21 H VAL 21 -3.381 9.896 3.969 195 HA VAL 21 HA VAL 21 -5.274 11.582 2.230 196 HB VAL 21 HB VAL 21 -6.858 11.556 4.041 197 HG11 VAL 21 1HG1 VAL 21 -6.106 8.690 3.255 198 HG12 VAL 21 2HG1 VAL 21 -7.684 9.205 3.887 199 HG13 VAL 21 3HG1 VAL 21 -7.110 9.819 2.319 200 HG21 VAL 21 3HG2 VAL 21 -5.117 9.576 5.635 201 HG22 VAL 21 1HG2 VAL 21 -5.454 11.259 6.092 202 HG23 VAL 21 2HG2 VAL 21 -6.778 10.081 6.038 203 H SER 22 H SER 22 -5.947 13.610 2.912 204 HA SER 22 HA SER 22 -4.009 15.188 4.706 205 HG SER 22 HG SER 22 -5.570 17.452 4.740 206 HB2 SER 22 1HB SER 22 -4.597 16.093 2.436 207 HB3 SER 22 2HB SER 22 -6.308 16.132 2.878 208 H THR 23 H THR 23 -6.323 13.279 5.623 209 HA THR 23 HA THR 23 -7.639 13.058 7.527 210 HB THR 23 HB THR 23 -7.783 14.575 9.426 211 HG1 THR 23 HG1 THR 23 -6.407 16.242 7.631 212 HG21 THR 23 3HG2 THR 23 -5.458 14.519 10.201 213 HG22 THR 23 1HG2 THR 23 -5.847 12.990 9.379 214 HG23 THR 23 2HG2 THR 23 -4.853 14.218 8.551 215 H GLY 24 H GLY 24 -8.957 16.143 8.001 216 HA2 GLY 24 1HA GLY 24 -11.317 16.786 7.664 217 HA3 GLY 24 2HA GLY 24 -10.650 16.892 6.061 218 H LYS 25 H LYS 25 -12.069 14.313 8.085 219 HA LYS 25 HA LYS 25 -13.581 12.592 7.621 220 HB2 LYS 25 1HB LYS 25 -14.759 14.520 5.564 221 HB3 LYS 25 2HB LYS 25 -15.372 12.891 5.754 222 HG2 LYS 25 1HG LYS 25 -15.760 13.302 8.231 223 HG3 LYS 25 2HG LYS 25 -15.294 14.988 8.008 224 HD2 LYS 25 1HD LYS 25 -17.154 15.348 6.396 225 HD3 LYS 25 2HD LYS 25 -17.578 13.650 6.378 226 HE2 LYS 25 1HE LYS 25 -17.727 15.391 8.951 227 HE3 LYS 25 2HE LYS 25 -19.061 15.245 7.811 228 HZ1 LYS 25 3HZ LYS 25 -17.831 12.888 9.330 229 HZ2 LYS 25 1HZ LYS 25 -19.374 13.478 9.516 230 HZ3 LYS 25 2HZ LYS 25 -18.832 12.666 8.174 231 H GLU 26 H GLU 26 -11.160 13.101 5.399 232 HA GLU 26 HA GLU 26 -11.628 10.705 3.686 233 HB2 GLU 26 1HB GLU 26 -8.903 11.836 4.447 234 HB3 GLU 26 2HB GLU 26 -9.324 10.801 3.093 235 HG2 GLU 26 1HG GLU 26 -10.795 13.050 2.393 236 HG3 GLU 26 2HG GLU 26 -9.616 13.822 3.422 237 H LEU 27 H LEU 27 -9.867 11.241 6.745 238 HA LEU 27 HA LEU 27 -9.239 8.430 7.280 239 HG LEU 27 HG LEU 27 -10.532 10.206 10.393 240 HB2 LEU 27 1HB LEU 27 -8.599 8.978 9.403 241 HB3 LEU 27 2HB LEU 27 -8.138 10.349 8.441 242 HD11 LEU 27 1HD1 LEU 27 -9.133 11.710 11.834 243 HD12 LEU 27 2HD1 LEU 27 -8.307 10.174 11.529 244 HD13 LEU 27 3HD1 LEU 27 -7.802 11.641 10.657 245 HD21 LEU 27 3HD2 LEU 27 -10.751 12.678 10.168 246 HD22 LEU 27 1HD2 LEU 27 -9.474 12.720 8.939 247 HD23 LEU 27 2HD2 LEU 27 -11.025 11.921 8.594 248 H GLU 28 H GLU 28 -12.205 10.216 8.033 249 HA GLU 28 HA GLU 28 -13.689 8.050 9.379 250 HB2 GLU 28 1HB GLU 28 -14.233 10.551 9.352 251 HB3 GLU 28 2HB GLU 28 -14.700 10.404 7.667 252 HG2 GLU 28 1HG GLU 28 -16.549 8.729 8.427 253 HG3 GLU 28 2HG GLU 28 -16.111 9.110 10.092 254 H ARG 29 H ARG 29 -13.781 9.051 5.909 255 HA ARG 29 HA ARG 29 -15.202 6.745 4.825 256 HE ARG 29 HE ARG 29 -14.311 8.960 0.534 257 HB2 ARG 29 1HB ARG 29 -12.981 8.502 3.593 258 HB3 ARG 29 2HB ARG 29 -13.873 7.333 2.656 259 HG2 ARG 29 1HG ARG 29 -15.924 8.583 2.700 260 HG3 ARG 29 2HG ARG 29 -15.450 9.508 4.107 261 HD2 ARG 29 1HD ARG 29 -15.355 10.954 2.116 262 HD3 ARG 29 2HD ARG 29 -13.801 10.807 2.918 263 HH11 ARG 29 2HH1 ARG 29 -12.686 11.834 1.631 264 HH12 ARG 29 1HH1 ARG 29 -11.370 11.693 0.373 265 HH21 ARG 29 2HH2 ARG 29 -12.869 8.890 -0.986 266 HH22 ARG 29 1HH2 ARG 29 -11.570 10.168 -1.082 267 H ALA 30 H ALA 30 -11.618 7.114 5.088 268 HA ALA 30 HA ALA 30 -10.985 4.393 4.161 269 HB1 ALA 30 3HB ALA 30 -9.332 6.318 5.927 270 HB2 ALA 30 1HB ALA 30 -8.702 4.901 5.059 271 HB3 ALA 30 2HB ALA 30 -9.343 6.287 4.149 272 H LEU 31 H LEU 31 -11.132 5.580 7.588 273 HA LEU 31 HA LEU 31 -10.644 2.989 8.831 274 HG LEU 31 HG LEU 31 -12.113 3.171 11.389 275 HB2 LEU 31 1HB LEU 31 -10.559 5.359 9.896 276 HB3 LEU 31 2HB LEU 31 -12.307 5.352 9.901 277 HD11 LEU 31 1HD1 LEU 31 -9.652 2.716 10.973 278 HD12 LEU 31 2HD1 LEU 31 -9.229 4.272 11.726 279 HD13 LEU 31 3HD1 LEU 31 -9.971 2.983 12.700 280 HD21 LEU 31 3HD2 LEU 31 -11.140 5.890 12.503 281 HD22 LEU 31 1HD2 LEU 31 -12.836 5.382 12.312 282 HD23 LEU 31 2HD2 LEU 31 -11.786 4.540 13.468 283 H GLN 32 H GLN 32 -13.823 4.447 7.858 284 HA GLN 32 HA GLN 32 -15.459 2.233 8.919 285 HB2 GLN 32 1HB GLN 32 -16.198 4.622 8.453 286 HB3 GLN 32 2HB GLN 32 -16.068 4.320 6.726 287 HG2 GLN 32 1HG GLN 32 -17.836 2.491 6.954 288 HG3 GLN 32 2HG GLN 32 -17.963 2.821 8.673 289 HE21 GLN 32 1HE2 GLN 32 -18.858 4.944 9.281 290 HE22 GLN 32 2HE2 GLN 32 -19.916 5.817 8.049 291 H GLU 33 H GLU 33 -14.266 2.854 5.544 292 HA GLU 33 HA GLU 33 -15.386 0.251 4.628 293 HB2 GLU 33 1HB GLU 33 -15.269 2.261 3.159 294 HB3 GLU 33 2HB GLU 33 -13.518 2.136 3.106 295 HG2 GLU 33 1HG GLU 33 -14.519 1.104 1.067 296 HG3 GLU 33 2HG GLU 33 -13.737 -0.165 2.002 297 H LEU 34 H LEU 34 -12.089 1.179 5.646 298 HA LEU 34 HA LEU 34 -10.856 -1.449 5.068 299 HG LEU 34 HG LEU 34 -9.732 1.362 4.738 300 HB2 LEU 34 1HB LEU 34 -10.160 0.634 7.198 301 HB3 LEU 34 2HB LEU 34 -9.188 -0.788 6.884 302 HD11 LEU 34 1HD1 LEU 34 -7.428 2.175 5.274 303 HD12 LEU 34 2HD1 LEU 34 -8.516 2.345 6.663 304 HD13 LEU 34 3HD1 LEU 34 -7.321 1.032 6.640 305 HD21 LEU 34 3HD2 LEU 34 -7.744 -1.001 4.798 306 HD22 LEU 34 1HD2 LEU 34 -9.113 -0.789 3.688 307 HD23 LEU 34 2HD2 LEU 34 -7.729 0.307 3.587 308 H GLU 35 H GLU 35 -12.556 -0.351 8.063 309 HA GLU 35 HA GLU 35 -12.585 -2.877 9.494 310 HB2 GLU 35 1HB GLU 35 -13.445 -0.541 10.231 311 HB3 GLU 35 2HB GLU 35 -14.875 -0.818 9.272 312 HG2 GLU 35 1HG GLU 35 -15.370 -2.909 10.710 313 HG3 GLU 35 2HG GLU 35 -13.952 -2.532 11.681 314 H LYS 36 H LYS 36 -14.948 -1.789 7.030 315 HA LYS 36 HA LYS 36 -16.449 -4.324 6.828 316 HB2 LYS 36 1HB LYS 36 -16.085 -2.055 4.779 317 HB3 LYS 36 2HB LYS 36 -17.190 -3.396 4.560 318 HG2 LYS 36 1HG LYS 36 -18.660 -2.708 6.362 319 HG3 LYS 36 2HG LYS 36 -17.452 -1.667 7.072 320 HD2 LYS 36 1HD LYS 36 -18.943 -0.167 6.133 321 HD3 LYS 36 2HD LYS 36 -17.564 -0.079 5.084 322 HE2 LYS 36 1HE LYS 36 -20.104 -1.766 4.453 323 HE3 LYS 36 2HE LYS 36 -19.953 -0.062 4.027 324 HZ1 LYS 36 3HZ LYS 36 -17.981 -0.579 2.578 325 HZ2 LYS 36 1HZ LYS 36 -17.928 -2.084 3.037 326 HZ3 LYS 36 2HZ LYS 36 -19.213 -1.563 2.124 327 H ALA 37 H ALA 37 -13.799 -3.127 4.652 328 HA ALA 37 HA ALA 37 -13.618 -5.594 3.098 329 HB1 ALA 37 3HB ALA 37 -11.501 -4.607 2.239 330 HB2 ALA 37 1HB ALA 37 -12.770 -3.370 2.343 331 HB3 ALA 37 2HB ALA 37 -11.478 -3.417 3.565 332 H LEU 38 H LEU 38 -11.710 -4.739 6.058 333 HA LEU 38 HA LEU 38 -10.082 -7.192 6.100 334 HG LEU 38 HG LEU 38 -9.248 -4.408 6.768 335 HB2 LEU 38 1HB LEU 38 -11.070 -5.360 8.361 336 HB3 LEU 38 2HB LEU 38 -10.001 -6.706 8.673 337 HD11 LEU 38 1HD1 LEU 38 -7.910 -3.490 8.653 338 HD12 LEU 38 2HD1 LEU 38 -9.621 -3.562 9.106 339 HD13 LEU 38 3HD1 LEU 38 -8.485 -4.776 9.748 340 HD21 LEU 38 3HD2 LEU 38 -7.511 -6.595 8.107 341 HD22 LEU 38 1HD2 LEU 38 -7.927 -6.519 6.380 342 HD23 LEU 38 2HD2 LEU 38 -6.906 -5.260 7.091 343 H ALA 39 H ALA 39 -13.268 -6.601 7.657 344 HA ALA 39 HA ALA 39 -13.587 -9.412 8.585 345 HB1 ALA 39 3HB ALA 39 -15.927 -8.695 9.076 346 HB2 ALA 39 1HB ALA 39 -14.759 -7.511 9.686 347 HB3 ALA 39 2HB ALA 39 -15.674 -7.164 8.198 348 H ARG 40 H ARG 40 -14.873 -7.709 5.658 349 HA ARG 40 HA ARG 40 -16.247 -10.110 4.664 350 HE ARG 40 HE ARG 40 -18.742 -9.591 0.526 351 HB2 ARG 40 1HB ARG 40 -16.848 -7.687 4.161 352 HB3 ARG 40 2HB ARG 40 -15.436 -7.572 3.140 353 HG2 ARG 40 1HG ARG 40 -17.333 -7.864 1.710 354 HG3 ARG 40 2HG ARG 40 -16.414 -9.359 1.603 355 HD2 ARG 40 1HD ARG 40 -18.029 -10.483 3.204 356 HD3 ARG 40 2HD ARG 40 -18.923 -8.953 3.387 357 HH11 ARG 40 2HH1 ARG 40 -20.361 -10.791 3.359 358 HH12 ARG 40 1HH1 ARG 40 -21.717 -11.522 2.372 359 HH21 ARG 40 2HH2 ARG 40 -20.295 -10.429 -0.568 360 HH22 ARG 40 1HH2 ARG 40 -21.658 -11.314 0.250 361 H ALA 41 H ALA 41 -13.028 -8.860 3.724 362 HA ALA 41 HA ALA 41 -12.505 -11.030 1.746 363 HB1 ALA 41 3HB ALA 41 -10.166 -10.154 1.792 364 HB2 ALA 41 1HB ALA 41 -11.320 -8.808 1.702 365 HB3 ALA 41 2HB ALA 41 -10.518 -9.193 3.245 366 H GLY 42 H GLY 42 -12.015 -10.942 5.253 367 HA2 GLY 42 1HA GLY 42 -11.328 -12.760 6.738 368 HA3 GLY 42 2HA GLY 42 -11.279 -13.840 5.363 369 H ALA 43 H ALA 43 -9.485 -11.138 6.802 370 HA ALA 43 HA ALA 43 -6.896 -12.001 5.549 371 HB1 ALA 43 3HB ALA 43 -7.595 -9.609 7.337 372 HB2 ALA 43 1HB ALA 43 -6.072 -9.858 6.444 373 HB3 ALA 43 2HB ALA 43 -7.591 -9.635 5.550 374 H ARG 44 H ARG 44 -5.634 -13.479 6.466 375 HA ARG 44 HA ARG 44 -5.667 -14.131 9.333 376 HE ARG 44 HE ARG 44 -3.362 -16.936 11.442 377 HB2 ARG 44 1HB ARG 44 -5.281 -15.732 7.395 378 HB3 ARG 44 2HB ARG 44 -3.661 -15.116 7.204 379 HG2 ARG 44 1HG ARG 44 -4.769 -16.312 9.835 380 HG3 ARG 44 2HG ARG 44 -4.090 -17.311 8.583 381 HD2 ARG 44 1HD ARG 44 -1.871 -16.682 8.890 382 HD3 ARG 44 2HD ARG 44 -2.247 -15.080 9.518 383 HH11 ARG 44 2HH1 ARG 44 -0.231 -15.766 10.423 384 HH12 ARG 44 1HH1 ARG 44 0.532 -16.336 11.990 385 HH21 ARG 44 2HH2 ARG 44 -2.520 -17.392 13.181 386 HH22 ARG 44 1HH2 ARG 44 -0.731 -17.181 13.514 387 H ASN 45 H ASN 45 -3.044 -12.590 7.402 388 HA ASN 45 HA ASN 45 -1.798 -11.542 10.025 389 HB2 ASN 45 1HB ASN 45 -0.532 -12.470 7.405 390 HB3 ASN 45 2HB ASN 45 0.194 -11.108 8.190 391 HD21 ASN 45 1HD2 ASN 45 1.669 -11.528 9.776 392 HD22 ASN 45 2HD2 ASN 45 1.949 -13.226 10.418 393 H VAL 46 H VAL 46 -2.583 -9.560 10.297 394 HA VAL 46 HA VAL 46 -3.118 -7.732 7.879 395 HB VAL 46 HB VAL 46 -4.255 -7.828 10.707 396 HG11 VAL 46 1HG1 VAL 46 -5.860 -6.006 9.999 397 HG12 VAL 46 2HG1 VAL 46 -4.186 -5.457 10.089 398 HG13 VAL 46 3HG1 VAL 46 -4.921 -5.777 8.497 399 HG21 VAL 46 3HG2 VAL 46 -5.244 -9.560 9.140 400 HG22 VAL 46 1HG2 VAL 46 -6.438 -8.344 9.610 401 HG23 VAL 46 2HG2 VAL 46 -5.670 -8.256 8.005 402 H GLN 47 H GLN 47 -1.083 -6.898 7.495 403 HA GLN 47 HA GLN 47 0.523 -5.525 9.677 404 HB2 GLN 47 1HB GLN 47 0.945 -5.888 6.657 405 HB3 GLN 47 2HB GLN 47 1.969 -4.892 7.653 406 HG2 GLN 47 1HG GLN 47 3.196 -6.832 7.573 407 HG3 GLN 47 2HG GLN 47 2.389 -6.984 9.126 408 HE21 GLN 47 1HE2 GLN 47 3.122 -9.170 8.844 409 HE22 GLN 47 2HE2 GLN 47 2.255 -10.291 7.652 410 H ILE 48 H ILE 48 -1.005 -3.923 10.332 411 HA ILE 48 HA ILE 48 -1.735 -1.703 8.366 412 HB ILE 48 HB ILE 48 -2.508 -2.245 11.279 413 HG12 ILE 48 1HG1 ILE 48 -4.286 -1.975 8.765 414 HG13 ILE 48 2HG1 ILE 48 -3.607 -3.496 9.246 415 HG21 ILE 48 1HG2 ILE 48 -2.308 0.230 11.114 416 HG22 ILE 48 2HG2 ILE 48 -3.262 0.255 9.616 417 HG23 ILE 48 3HG2 ILE 48 -4.015 -0.200 11.159 418 HD11 ILE 48 3HD1 ILE 48 -4.810 -3.430 11.440 419 HD12 ILE 48 1HD1 ILE 48 -5.542 -1.857 11.019 420 HD13 ILE 48 2HD1 ILE 48 -5.935 -3.307 10.073 421 H THR 49 H THR 49 -0.083 -0.355 7.868 422 HA THR 49 HA THR 49 1.732 0.642 10.127 423 HB THR 49 HB THR 49 2.603 0.349 7.218 424 HG1 THR 49 HG1 THR 49 2.275 -1.561 8.516 425 HG21 THR 49 3HG2 THR 49 4.147 1.127 9.802 426 HG22 THR 49 1HG2 THR 49 4.897 0.797 8.220 427 HG23 THR 49 2HG2 THR 49 3.820 2.196 8.416 428 H ILE 50 H ILE 50 0.874 2.512 10.661 429 HA ILE 50 HA ILE 50 -0.215 4.358 8.474 430 HB ILE 50 HB ILE 50 -0.734 4.720 11.429 431 HG12 ILE 50 1HG1 ILE 50 -1.884 2.670 10.864 432 HG13 ILE 50 2HG1 ILE 50 -3.050 3.966 11.060 433 HG21 ILE 50 1HG2 ILE 50 -0.905 6.834 10.093 434 HG22 ILE 50 2HG2 ILE 50 -2.021 6.063 8.955 435 HG23 ILE 50 3HG2 ILE 50 -2.511 6.318 10.647 436 HD11 ILE 50 3HD1 ILE 50 -2.178 2.796 8.340 437 HD12 ILE 50 1HD1 ILE 50 -3.716 2.507 9.192 438 HD13 ILE 50 2HD1 ILE 50 -3.352 4.128 8.582 439 H SER 51 H SER 51 1.306 5.668 7.712 440 HA SER 51 HA SER 51 3.710 6.398 9.469 441 HG SER 51 HG SER 51 5.943 6.419 7.021 442 HB2 SER 51 1HB SER 51 4.198 5.175 7.396 443 HB3 SER 51 2HB SER 51 3.602 6.515 6.430 444 H ALA 52 H ALA 52 3.229 8.049 10.656 445 HA ALA 52 HA ALA 52 1.592 10.367 9.617 446 HB1 ALA 52 3HB ALA 52 0.966 9.131 11.706 447 HB2 ALA 52 1HB ALA 52 2.509 9.581 12.469 448 HB3 ALA 52 2HB ALA 52 1.322 10.831 12.058 449 H GLU 53 H GLU 53 2.041 12.547 10.010 450 HA GLU 53 HA GLU 53 4.716 13.560 9.604 451 HB2 GLU 53 1HB GLU 53 3.775 15.754 9.821 452 HB3 GLU 53 2HB GLU 53 2.667 14.715 8.964 453 HG2 GLU 53 1HG GLU 53 1.276 14.479 11.135 454 HG3 GLU 53 2HG GLU 53 2.309 15.716 11.863 455 H ASN 54 H ASN 54 2.980 13.421 12.674 456 HA ASN 54 HA ASN 54 5.558 14.116 14.209 457 HB2 ASN 54 1HB ASN 54 2.764 15.407 14.553 458 HB3 ASN 54 2HB ASN 54 3.997 15.495 15.800 459 HD21 ASN 54 1HD2 ASN 54 3.436 17.784 15.477 460 HD22 ASN 54 2HD2 ASN 54 4.463 18.649 14.207 461 H ASP 55 H ASP 55 5.465 13.633 16.481 462 HA ASP 55 HA ASP 55 4.498 10.944 17.118 463 HB2 ASP 55 1HB ASP 55 5.481 11.341 19.326 464 HB3 ASP 55 2HB ASP 55 6.584 11.688 18.015 465 H GLU 56 H GLU 56 3.211 14.152 18.067 466 HA GLU 56 HA GLU 56 0.936 13.243 19.596 467 HB2 GLU 56 1HB GLU 56 -0.006 15.438 19.269 468 HB3 GLU 56 2HB GLU 56 1.710 15.559 19.516 469 HG2 GLU 56 1HG GLU 56 1.659 15.592 16.719 470 HG3 GLU 56 2HG GLU 56 0.057 16.230 17.037 471 H GLN 57 H GLN 57 1.012 13.676 16.069 472 HA GLN 57 HA GLN 57 -1.649 12.513 15.435 473 HB2 GLN 57 1HB GLN 57 0.936 12.944 13.838 474 HB3 GLN 57 2HB GLN 57 -0.348 12.003 13.149 475 HG2 GLN 57 1HG GLN 57 -1.276 14.670 14.262 476 HG3 GLN 57 2HG GLN 57 -0.122 14.793 12.961 477 HE21 GLN 57 1HE2 GLN 57 -1.337 15.243 11.064 478 HE22 GLN 57 2HE2 GLN 57 -2.928 14.373 10.761 479 H ALA 58 H ALA 58 1.612 10.955 15.494 480 HA ALA 58 HA ALA 58 0.733 8.221 15.036 481 HB1 ALA 58 3HB ALA 58 3.124 9.073 14.925 482 HB2 ALA 58 1HB ALA 58 3.141 9.188 16.702 483 HB3 ALA 58 2HB ALA 58 2.968 7.608 15.912 484 H LYS 59 H LYS 59 0.972 9.892 18.230 485 HA LYS 59 HA LYS 59 0.124 7.598 19.851 486 HB2 LYS 59 1HB LYS 59 1.164 9.735 20.750 487 HB3 LYS 59 2HB LYS 59 -0.328 10.585 20.401 488 HG2 LYS 59 1HG LYS 59 -1.503 8.764 21.974 489 HG3 LYS 59 2HG LYS 59 0.120 8.308 22.461 490 HD2 LYS 59 1HD LYS 59 0.533 10.667 23.291 491 HD3 LYS 59 2HD LYS 59 -1.035 11.174 22.647 492 HE2 LYS 59 1HE LYS 59 -2.210 9.470 24.178 493 HE3 LYS 59 2HE LYS 59 -0.651 9.037 24.875 494 HZ1 LYS 59 3HZ LYS 59 -1.780 10.817 26.211 495 HZ2 LYS 59 1HZ LYS 59 -0.388 11.439 25.574 496 HZ3 LYS 59 2HZ LYS 59 -1.841 11.816 24.910 497 H GLU 60 H GLU 60 -2.010 10.241 18.546 498 HA GLU 60 HA GLU 60 -4.491 8.901 19.429 499 HB2 GLU 60 1HB GLU 60 -5.762 10.470 18.158 500 HB3 GLU 60 2HB GLU 60 -4.521 11.295 19.069 501 HG2 GLU 60 1HG GLU 60 -3.169 11.679 16.987 502 HG3 GLU 60 2HG GLU 60 -4.296 10.727 16.024 503 H LEU 61 H LEU 61 -2.804 8.762 16.300 504 HA LEU 61 HA LEU 61 -4.668 6.878 15.010 505 HG LEU 61 HG LEU 61 -3.385 9.342 14.014 506 HB2 LEU 61 1HB LEU 61 -1.687 7.391 14.516 507 HB3 LEU 61 2HB LEU 61 -2.667 6.387 13.474 508 HD11 LEU 61 1HD1 LEU 61 -2.244 9.959 11.937 509 HD12 LEU 61 2HD1 LEU 61 -1.086 9.245 13.064 510 HD13 LEU 61 3HD1 LEU 61 -1.669 8.291 11.687 511 HD21 LEU 61 3HD2 LEU 61 -5.268 8.009 13.054 512 HD22 LEU 61 1HD2 LEU 61 -4.657 9.171 11.869 513 HD23 LEU 61 2HD2 LEU 61 -4.233 7.449 11.719 514 H LEU 62 H LEU 62 -1.676 6.144 16.889 515 HA LEU 62 HA LEU 62 -1.901 3.247 17.088 516 HG LEU 62 HG LEU 62 -1.155 3.651 20.501 517 HB2 LEU 62 1HB LEU 62 0.062 4.462 17.791 518 HB3 LEU 62 2HB LEU 62 -0.840 5.465 18.899 519 HD11 LEU 62 1HD1 LEU 62 0.479 1.879 18.561 520 HD12 LEU 62 2HD1 LEU 62 0.110 1.476 20.259 521 HD13 LEU 62 3HD1 LEU 62 -1.209 1.622 19.095 522 HD21 LEU 62 3HD2 LEU 62 0.879 5.129 20.602 523 HD22 LEU 62 1HD2 LEU 62 1.239 3.505 21.218 524 HD23 LEU 62 2HD2 LEU 62 1.786 3.979 19.590 525 H GLU 63 H GLU 63 -3.441 5.645 19.296 526 HA GLU 63 HA GLU 63 -5.027 3.627 20.753 527 HB2 GLU 63 1HB GLU 63 -5.390 6.671 20.498 528 HB3 GLU 63 2HB GLU 63 -6.421 5.658 21.492 529 HG2 GLU 63 1HG GLU 63 -4.399 4.857 22.824 530 HG3 GLU 63 2HG GLU 63 -3.370 5.930 21.879 531 H LEU 64 H LEU 64 -6.060 5.718 17.990 532 HA LEU 64 HA LEU 64 -8.701 4.505 17.643 533 HG LEU 64 HG LEU 64 -9.863 6.245 16.393 534 HB2 LEU 64 1HB LEU 64 -6.827 6.128 15.863 535 HB3 LEU 64 2HB LEU 64 -8.049 5.200 15.052 536 HD11 LEU 64 1HD1 LEU 64 -7.692 8.199 17.429 537 HD12 LEU 64 2HD1 LEU 64 -9.446 8.368 17.664 538 HD13 LEU 64 3HD1 LEU 64 -8.575 7.029 18.432 539 HD21 LEU 64 3HD2 LEU 64 -8.051 8.209 14.830 540 HD22 LEU 64 1HD2 LEU 64 -9.251 7.104 14.116 541 HD23 LEU 64 2HD2 LEU 64 -9.785 8.439 15.154 542 H ILE 65 H ILE 65 -5.658 3.451 16.051 543 HA ILE 65 HA ILE 65 -6.878 1.128 14.697 544 HB ILE 65 HB ILE 65 -3.991 1.329 15.609 545 HG12 ILE 65 1HG1 ILE 65 -4.712 1.991 12.699 546 HG13 ILE 65 2HG1 ILE 65 -4.865 3.235 13.903 547 HG21 ILE 65 1HG2 ILE 65 -3.539 -0.280 13.623 548 HG22 ILE 65 2HG2 ILE 65 -4.516 -0.982 14.911 549 HG23 ILE 65 3HG2 ILE 65 -5.301 -0.432 13.414 550 HD11 ILE 65 3HD1 ILE 65 -2.425 2.740 14.686 551 HD12 ILE 65 1HD1 ILE 65 -2.252 1.728 13.232 552 HD13 ILE 65 2HD1 ILE 65 -2.589 3.475 13.108 553 H ALA 66 H ALA 66 -5.110 1.211 17.874 554 HA ALA 66 HA ALA 66 -5.594 -1.571 18.636 555 HB1 ALA 66 3HB ALA 66 -3.935 -0.077 19.755 556 HB2 ALA 66 1HB ALA 66 -5.241 0.951 20.391 557 HB3 ALA 66 2HB ALA 66 -5.074 -0.732 20.950 558 H ARG 67 H ARG 67 -7.638 1.298 19.359 559 HA ARG 67 HA ARG 67 -9.899 -0.150 20.546 560 HE ARG 67 HE ARG 67 -13.774 3.154 21.148 561 HB2 ARG 67 1HB ARG 67 -9.365 2.324 20.657 562 HB3 ARG 67 2HB ARG 67 -9.818 2.499 18.971 563 HG2 ARG 67 1HG ARG 67 -12.199 1.829 19.557 564 HG3 ARG 67 2HG ARG 67 -11.713 1.561 21.237 565 HD2 ARG 67 1HD ARG 67 -10.961 3.992 21.403 566 HD3 ARG 67 2HD ARG 67 -11.497 4.266 19.731 567 HH11 ARG 67 2HH1 ARG 67 -11.853 6.058 21.324 568 HH12 ARG 67 1HH1 ARG 67 -13.234 7.018 22.039 569 HH21 ARG 67 2HH2 ARG 67 -15.322 4.283 21.956 570 HH22 ARG 67 1HH2 ARG 67 -15.095 6.042 22.366 571 H LEU 68 H LEU 68 -9.364 0.697 17.052 572 HA LEU 68 HA LEU 68 -11.744 -0.610 15.981 573 HG LEU 68 HG LEU 68 -10.888 -1.645 13.417 574 HB2 LEU 68 1HB LEU 68 -10.128 1.007 14.787 575 HB3 LEU 68 2HB LEU 68 -8.951 -0.275 14.730 576 HD11 LEU 68 1HD1 LEU 68 -12.409 -0.152 12.116 577 HD12 LEU 68 2HD1 LEU 68 -12.731 0.012 13.841 578 HD13 LEU 68 3HD1 LEU 68 -11.819 1.277 12.985 579 HD21 LEU 68 3HD2 LEU 68 -8.762 -1.026 12.364 580 HD22 LEU 68 1HD2 LEU 68 -10.089 -0.660 11.245 581 HD23 LEU 68 2HD2 LEU 68 -9.288 0.656 12.139 582 H LEU 69 H LEU 69 -8.446 -2.008 16.321 583 HA LEU 69 HA LEU 69 -9.308 -4.687 15.360 584 HG LEU 69 HG LEU 69 -7.040 -2.559 14.596 585 HB2 LEU 69 1HB LEU 69 -6.685 -3.912 16.722 586 HB3 LEU 69 2HB LEU 69 -6.985 -5.389 15.826 587 HD11 LEU 69 1HD1 LEU 69 -4.868 -3.002 13.656 588 HD12 LEU 69 2HD1 LEU 69 -4.749 -3.371 15.383 589 HD13 LEU 69 3HD1 LEU 69 -4.871 -4.683 14.190 590 HD21 LEU 69 3HD2 LEU 69 -7.050 -3.701 12.373 591 HD22 LEU 69 1HD2 LEU 69 -7.198 -5.291 13.158 592 HD23 LEU 69 2HD2 LEU 69 -8.503 -4.089 13.287 593 H GLN 70 H GLN 70 -8.810 -3.462 18.677 594 HA GLN 70 HA GLN 70 -9.674 -5.895 20.099 595 HB2 GLN 70 1HB GLN 70 -8.584 -3.834 21.100 596 HB3 GLN 70 2HB GLN 70 -10.046 -2.911 20.788 597 HG2 GLN 70 1HG GLN 70 -11.323 -4.481 22.364 598 HG3 GLN 70 2HG GLN 70 -9.840 -5.375 22.656 599 HE21 GLN 70 1HE2 GLN 70 -8.247 -4.360 24.010 600 HE22 GLN 70 2HE2 GLN 70 -8.680 -2.841 24.959 601 H LYS 71 H LYS 71 -11.648 -3.170 18.732 602 HA LYS 71 HA LYS 71 -14.266 -4.359 19.335 603 HB2 LYS 71 1HB LYS 71 -13.803 -1.935 18.765 604 HB3 LYS 71 2HB LYS 71 -13.472 -2.396 17.109 605 HG2 LYS 71 1HG LYS 71 -15.967 -3.351 17.082 606 HG3 LYS 71 2HG LYS 71 -16.146 -2.582 18.639 607 HD2 LYS 71 1HD LYS 71 -17.043 -1.021 17.095 608 HD3 LYS 71 2HD LYS 71 -15.488 -0.325 17.530 609 HE2 LYS 71 1HE LYS 71 -14.470 -1.230 15.363 610 HE3 LYS 71 2HE LYS 71 -15.971 -2.049 14.976 611 HZ1 LYS 71 3HZ LYS 71 -15.737 0.962 15.192 612 HZ2 LYS 71 1HZ LYS 71 -15.779 0.050 13.791 613 HZ3 LYS 71 2HZ LYS 71 -17.101 0.107 14.753 614 H LEU 72 H LEU 72 -12.387 -4.608 16.237 615 HA LEU 72 HA LEU 72 -14.210 -6.548 14.970 616 HG LEU 72 HG LEU 72 -13.132 -4.318 13.655 617 HB2 LEU 72 1HB LEU 72 -11.225 -5.954 14.578 618 HB3 LEU 72 2HB LEU 72 -12.016 -7.182 13.632 619 HD11 LEU 72 1HD1 LEU 72 -10.974 -5.444 11.744 620 HD12 LEU 72 2HD1 LEU 72 -11.799 -3.877 11.584 621 HD13 LEU 72 3HD1 LEU 72 -10.741 -4.170 12.971 622 HD21 LEU 72 3HD2 LEU 72 -13.326 -6.623 11.583 623 HD22 LEU 72 1HD2 LEU 72 -14.632 -6.115 12.678 624 HD23 LEU 72 2HD2 LEU 72 -14.063 -5.018 11.410 625 H GLY 73 H GLY 73 -11.376 -7.209 17.043 626 HA2 GLY 73 1HA GLY 73 -11.695 -9.100 18.683 627 HA3 GLY 73 2HA GLY 73 -12.450 -10.077 17.445 628 H TYR 74 H TYR 74 -9.350 -8.322 17.696 629 HA TYR 74 HA TYR 74 -7.876 -10.852 16.783 630 HD1 TYR 74 HD1 TYR 74 -6.319 -10.526 14.168 631 HD2 TYR 74 HD2 TYR 74 -8.945 -7.256 15.130 632 HE1 TYR 74 HE1 TYR 74 -7.030 -10.372 11.807 633 HE2 TYR 74 HE2 TYR 74 -9.657 -7.145 12.785 634 HH TYR 74 HH TYR 74 -9.562 -8.136 10.780 635 HB2 TYR 74 1HB TYR 74 -7.075 -7.878 16.682 636 HB3 TYR 74 2HB TYR 74 -6.012 -9.185 16.276 637 H LYS 75 H LYS 75 -6.052 -11.591 17.785 638 HA LYS 75 HA LYS 75 -5.684 -10.751 20.724 639 HB2 LYS 75 1HB LYS 75 -5.571 -13.588 19.566 640 HB3 LYS 75 2HB LYS 75 -5.285 -13.163 21.236 641 HG2 LYS 75 1HG LYS 75 -7.964 -12.859 19.734 642 HG3 LYS 75 2HG LYS 75 -7.552 -14.119 20.883 643 HD2 LYS 75 1HD LYS 75 -7.313 -12.367 22.726 644 HD3 LYS 75 2HD LYS 75 -7.744 -11.106 21.566 645 HE2 LYS 75 1HE LYS 75 -9.997 -12.222 21.155 646 HE3 LYS 75 2HE LYS 75 -9.594 -13.474 22.338 647 HZ1 LYS 75 3HZ LYS 75 -10.858 -11.620 23.425 648 HZ2 LYS 75 1HZ LYS 75 -9.337 -11.657 24.054 649 HZ3 LYS 75 2HZ LYS 75 -9.737 -10.514 22.951 650 H ASP 76 H ASP 76 -3.703 -12.066 18.005 651 HA ASP 76 HA ASP 76 -1.190 -11.705 19.702 652 HB2 ASP 76 1HB ASP 76 -1.436 -13.784 18.442 653 HB3 ASP 76 2HB ASP 76 -1.704 -12.914 16.946 654 H ILE 77 H ILE 77 -1.522 -9.478 19.936 655 HA ILE 77 HA ILE 77 -1.486 -7.658 17.531 656 HB ILE 77 HB ILE 77 -1.863 -6.988 20.501 657 HG12 ILE 77 1HG1 ILE 77 -4.167 -7.052 18.446 658 HG13 ILE 77 2HG1 ILE 77 -3.742 -8.471 19.360 659 HG21 ILE 77 1HG2 ILE 77 -1.132 -4.964 19.171 660 HG22 ILE 77 2HG2 ILE 77 -2.481 -5.208 18.036 661 HG23 ILE 77 3HG2 ILE 77 -2.792 -4.779 19.733 662 HD11 ILE 77 3HD1 ILE 77 -4.651 -5.814 20.631 663 HD12 ILE 77 1HD1 ILE 77 -5.593 -7.311 20.475 664 HD13 ILE 77 2HD1 ILE 77 -4.167 -7.272 21.537 665 H ASN 78 H ASN 78 0.489 -7.356 16.697 666 HA ASN 78 HA ASN 78 2.905 -6.995 18.556 667 HB2 ASN 78 1HB ASN 78 2.663 -7.924 15.633 668 HB3 ASN 78 2HB ASN 78 4.181 -7.571 16.415 669 HD21 ASN 78 1HD2 ASN 78 1.271 -9.486 17.225 670 HD22 ASN 78 2HD2 ASN 78 2.211 -10.957 17.770 671 H VAL 79 H VAL 79 2.600 -4.833 19.063 672 HA VAL 79 HA VAL 79 2.590 -2.736 16.972 673 HB VAL 79 HB VAL 79 1.270 -2.501 18.990 674 HG11 VAL 79 1HG1 VAL 79 2.233 -1.798 21.193 675 HG12 VAL 79 2HG1 VAL 79 2.736 -3.451 20.787 676 HG13 VAL 79 3HG1 VAL 79 3.881 -2.106 20.599 677 HG21 VAL 79 3HG2 VAL 79 3.375 -0.260 18.775 678 HG22 VAL 79 1HG2 VAL 79 1.972 -0.456 17.704 679 HG23 VAL 79 2HG2 VAL 79 1.727 -0.119 19.432 680 H ARG 80 H ARG 80 4.256 -1.944 15.991 681 HA ARG 80 HA ARG 80 6.962 -1.537 17.400 682 HE ARG 80 HE ARG 80 9.957 -3.673 15.572 683 HB2 ARG 80 1HB ARG 80 6.595 -2.886 14.650 684 HB3 ARG 80 2HB ARG 80 8.116 -2.244 15.234 685 HG2 ARG 80 1HG ARG 80 7.991 -3.850 17.260 686 HG3 ARG 80 2HG ARG 80 6.518 -4.504 16.589 687 HD2 ARG 80 1HD ARG 80 8.239 -6.036 15.991 688 HD3 ARG 80 2HD ARG 80 7.761 -5.225 14.487 689 HH11 ARG 80 2HH1 ARG 80 9.536 -6.907 14.369 690 HH12 ARG 80 1HH1 ARG 80 11.284 -7.019 13.836 691 HH21 ARG 80 2HH2 ARG 80 11.934 -3.829 14.954 692 HH22 ARG 80 1HH2 ARG 80 12.559 -5.345 14.165 693 H VAL 81 H VAL 81 6.367 0.683 17.571 694 HA VAL 81 HA VAL 81 5.861 2.229 15.108 695 HB VAL 81 HB VAL 81 4.670 2.726 17.164 696 HG11 VAL 81 1HG1 VAL 81 7.254 4.019 18.263 697 HG12 VAL 81 2HG1 VAL 81 5.639 4.084 19.003 698 HG13 VAL 81 3HG1 VAL 81 6.514 2.538 18.906 699 HG21 VAL 81 3HG2 VAL 81 6.282 5.138 16.134 700 HG22 VAL 81 1HG2 VAL 81 4.865 4.433 15.329 701 HG23 VAL 81 2HG2 VAL 81 4.691 5.179 16.933 702 H ASN 82 H ASN 82 7.334 2.999 13.770 703 HA ASN 82 HA ASN 82 10.282 3.236 14.627 704 HB2 ASN 82 1HB ASN 82 9.369 3.699 11.772 705 HB3 ASN 82 2HB ASN 82 10.963 3.387 12.370 706 HD21 ASN 82 1HD2 ASN 82 9.329 2.071 10.299 707 HD22 ASN 82 2HD2 ASN 82 9.488 0.288 10.783 708 H GLY 83 H GLY 83 9.450 5.049 16.026 709 HA2 GLY 83 1HA GLY 83 9.591 7.460 16.502 710 HA3 GLY 83 2HA GLY 83 9.985 7.791 14.831 711 H THR 84 H THR 84 8.181 7.587 13.297 712 HA THR 84 HA THR 84 5.406 8.164 14.477 713 HB THR 84 HB THR 84 4.790 9.689 12.780 714 HG1 THR 84 HG1 THR 84 5.865 10.126 11.062 715 HG21 THR 84 3HG2 THR 84 6.012 10.806 14.656 716 HG22 THR 84 1HG2 THR 84 7.527 10.701 13.725 717 HG23 THR 84 2HG2 THR 84 6.175 11.672 13.108 718 H GLU 85 H GLU 85 7.061 5.923 12.601 719 HA GLU 85 HA GLU 85 4.776 5.217 10.773 720 HB2 GLU 85 1HB GLU 85 7.290 3.577 11.297 721 HB3 GLU 85 2HB GLU 85 6.121 3.345 10.016 722 HG2 GLU 85 1HG GLU 85 6.823 5.702 9.119 723 HG3 GLU 85 2HG GLU 85 8.154 5.651 10.268 724 H VAL 86 H VAL 86 3.026 4.616 12.019 725 HA VAL 86 HA VAL 86 3.370 2.816 14.399 726 HB VAL 86 HB VAL 86 0.792 3.949 13.193 727 HG11 VAL 86 1HG1 VAL 86 -0.219 3.508 15.447 728 HG12 VAL 86 2HG1 VAL 86 0.314 1.997 14.709 729 HG13 VAL 86 3HG1 VAL 86 1.285 2.735 16.005 730 HG21 VAL 86 3HG2 VAL 86 2.269 5.833 13.989 731 HG22 VAL 86 1HG2 VAL 86 0.842 5.658 15.018 732 HG23 VAL 86 2HG2 VAL 86 2.417 5.058 15.585 733 H LYS 87 H LYS 87 4.284 0.978 13.251 734 HA LYS 87 HA LYS 87 2.438 -0.772 11.660 735 HB2 LYS 87 1HB LYS 87 4.872 -0.853 11.257 736 HB3 LYS 87 2HB LYS 87 5.140 -1.460 12.884 737 HG2 LYS 87 1HG LYS 87 3.665 -3.491 12.335 738 HG3 LYS 87 2HG LYS 87 3.516 -2.914 10.682 739 HD2 LYS 87 1HD LYS 87 5.906 -3.284 10.230 740 HD3 LYS 87 2HD LYS 87 6.292 -3.347 11.934 741 HE2 LYS 87 1HE LYS 87 6.432 -5.628 11.250 742 HE3 LYS 87 2HE LYS 87 4.976 -5.517 12.207 743 HZ1 LYS 87 3HZ LYS 87 4.420 -6.786 10.252 744 HZ2 LYS 87 1HZ LYS 87 3.755 -5.295 9.960 745 HZ3 LYS 87 2HZ LYS 87 5.160 -5.716 9.207 746 H ILE 88 H ILE 88 0.641 -1.291 12.778 747 HA ILE 88 HA ILE 88 0.998 -3.086 15.279 748 HB ILE 88 HB ILE 88 -1.478 -1.599 14.295 749 HG12 ILE 88 1HG1 ILE 88 -0.141 -1.398 17.079 750 HG13 ILE 88 2HG1 ILE 88 0.422 -0.407 15.749 751 HG21 ILE 88 1HG2 ILE 88 -2.668 -2.576 16.316 752 HG22 ILE 88 2HG2 ILE 88 -2.220 -3.813 15.138 753 HG23 ILE 88 3HG2 ILE 88 -1.265 -3.626 16.631 754 HD11 ILE 88 3HD1 ILE 88 -1.159 0.931 16.994 755 HD12 ILE 88 1HD1 ILE 88 -1.880 0.557 15.429 756 HD13 ILE 88 2HD1 ILE 88 -2.437 -0.303 16.891 757 H GLU 89 H GLU 89 1.553 -4.973 14.457 758 HA GLU 89 HA GLU 89 0.115 -6.143 12.039 759 HB2 GLU 89 1HB GLU 89 2.578 -6.157 12.082 760 HB3 GLU 89 2HB GLU 89 2.589 -7.127 13.547 761 HG2 GLU 89 1HG GLU 89 1.364 -8.993 12.279 762 HG3 GLU 89 2HG GLU 89 1.389 -8.033 10.826 763 H VAL 90 H VAL 90 -1.764 -7.063 12.553 764 HA VAL 90 HA VAL 90 -2.009 -8.699 15.133 765 HB VAL 90 HB VAL 90 -4.404 -8.628 15.004 766 HG11 VAL 90 1HG1 VAL 90 -3.206 -7.084 16.482 767 HG12 VAL 90 2HG1 VAL 90 -3.121 -5.854 15.215 768 HG13 VAL 90 3HG1 VAL 90 -4.696 -6.333 15.911 769 HG21 VAL 90 3HG2 VAL 90 -4.189 -6.535 12.761 770 HG22 VAL 90 1HG2 VAL 90 -4.965 -8.147 12.688 771 HG23 VAL 90 2HG2 VAL 90 -5.654 -6.898 13.717 772 H ARG 91 H ARG 91 -2.173 -10.771 15.083 773 HA ARG 91 HA ARG 91 -2.593 -12.211 12.410 774 HE ARG 91 HE ARG 91 2.520 -10.730 12.980 775 HB2 ARG 91 1HB ARG 91 -1.233 -13.287 14.941 776 HB3 ARG 91 2HB ARG 91 -1.487 -14.155 13.463 777 HG2 ARG 91 1HG ARG 91 0.753 -13.563 13.407 778 HG3 ARG 91 2HG ARG 91 0.004 -12.497 12.225 779 HD2 ARG 91 1HD ARG 91 0.199 -10.558 13.720 780 HD3 ARG 91 2HD ARG 91 0.525 -11.524 15.125 781 HH11 ARG 91 2HH1 ARG 91 2.047 -12.910 15.780 782 HH12 ARG 91 1HH1 ARG 91 3.860 -12.887 16.005 783 HH21 ARG 91 2HH2 ARG 91 4.344 -10.795 13.306 784 HH22 ARG 91 1HH2 ARG 91 5.136 -11.762 14.679 785 H VAL 92 H VAL 92 -4.241 -13.554 12.111 786 HA VAL 92 HA VAL 92 -6.213 -14.196 14.307 787 HB VAL 92 HB VAL 92 -6.234 -15.089 11.370 788 HG11 VAL 92 1HG1 VAL 92 -7.701 -16.580 12.769 789 HG12 VAL 92 2HG1 VAL 92 -8.537 -15.157 13.441 790 HG13 VAL 92 3HG1 VAL 92 -8.677 -15.553 11.713 791 HG21 VAL 92 3HG2 VAL 92 -6.461 -12.594 11.507 792 HG22 VAL 92 1HG2 VAL 92 -7.998 -13.310 11.024 793 HG23 VAL 92 2HG2 VAL 92 -7.773 -12.745 12.697 Start of MODEL 8 1 H HIS -1 H HIS -1 8.837 15.979 6.036 2 HA HIS -1 HA HIS -1 7.201 14.812 7.433 3 HD2 HIS -1 HD2 HIS -1 7.102 16.264 9.896 4 HE1 HIS -1 HE1 HIS -1 10.093 19.044 9.081 5 HE2 HIS -1 HE2 HIS -1 9.145 17.563 10.977 6 HB2 HIS -1 1HB HIS -1 6.515 17.542 6.197 7 HB3 HIS -1 2HB HIS -1 5.611 16.879 7.527 8 H MET 0 H MET 0 6.307 12.994 6.716 9 HA MET 0 HA MET 0 4.299 12.879 4.482 10 HB2 MET 0 1HB MET 0 6.130 11.193 4.836 11 HB3 MET 0 2HB MET 0 5.440 10.729 6.391 12 HG2 MET 0 1HG MET 0 3.447 9.801 5.315 13 HG3 MET 0 2HG MET 0 3.869 10.480 3.739 14 HE1 MET 0 3HE MET 0 6.404 9.867 2.591 15 HE2 MET 0 1HE MET 0 6.433 8.110 2.250 16 HE3 MET 0 2HE MET 0 4.939 9.046 1.958 17 H LYS 1 H LYS 1 2.122 13.077 4.789 18 HA LYS 1 HA LYS 1 1.268 13.822 7.539 19 HB2 LYS 1 1HB LYS 1 0.045 14.299 4.788 20 HB3 LYS 1 2HB LYS 1 -0.924 14.543 6.234 21 HG2 LYS 1 1HG LYS 1 0.771 16.026 7.241 22 HG3 LYS 1 2HG LYS 1 1.847 15.852 5.861 23 HD2 LYS 1 1HD LYS 1 0.132 17.004 4.395 24 HD3 LYS 1 2HD LYS 1 -0.989 17.092 5.767 25 HE2 LYS 1 1HE LYS 1 0.759 18.433 7.102 26 HE3 LYS 1 2HE LYS 1 1.858 18.367 5.743 27 HZ1 LYS 1 3HZ LYS 1 0.510 20.466 5.756 28 HZ2 LYS 1 1HZ LYS 1 0.187 19.617 4.381 29 HZ3 LYS 1 2HZ LYS 1 -0.894 19.616 5.623 30 H VAL 2 H VAL 2 -0.763 11.787 5.421 31 HA VAL 2 HA VAL 2 -1.311 10.070 7.878 32 HB VAL 2 HB VAL 2 -3.652 11.166 6.257 33 HG11 VAL 2 1HG1 VAL 2 -3.662 9.528 8.898 34 HG12 VAL 2 2HG1 VAL 2 -5.099 10.115 8.025 35 HG13 VAL 2 3HG1 VAL 2 -4.070 8.876 7.295 36 HG21 VAL 2 3HG2 VAL 2 -4.385 12.435 8.321 37 HG22 VAL 2 1HG2 VAL 2 -2.852 12.007 9.128 38 HG23 VAL 2 2HG2 VAL 2 -2.851 13.048 7.691 39 H ASP 3 H ASP 3 0.319 9.052 6.393 40 HA ASP 3 HA ASP 3 -0.824 7.661 3.975 41 HB2 ASP 3 1HB ASP 3 2.028 7.892 5.072 42 HB3 ASP 3 2HB ASP 3 1.593 6.921 3.681 43 H ILE 4 H ILE 4 -2.049 6.013 4.462 44 HA ILE 4 HA ILE 4 -1.373 4.136 6.767 45 HB ILE 4 HB ILE 4 -3.747 3.221 6.365 46 HG12 ILE 4 1HG1 ILE 4 -4.230 5.882 4.897 47 HG13 ILE 4 2HG1 ILE 4 -4.137 4.329 4.100 48 HG21 ILE 4 1HG2 ILE 4 -3.117 4.589 8.331 49 HG22 ILE 4 2HG2 ILE 4 -3.468 6.092 7.429 50 HG23 ILE 4 3HG2 ILE 4 -4.771 4.947 7.833 51 HD11 ILE 4 3HD1 ILE 4 -6.499 4.997 4.404 52 HD12 ILE 4 1HD1 ILE 4 -6.178 3.519 5.318 53 HD13 ILE 4 2HD1 ILE 4 -6.310 5.078 6.166 54 H THR 5 H THR 5 0.098 2.749 6.008 55 HA THR 5 HA THR 5 -0.296 1.164 3.462 56 HB THR 5 HB THR 5 1.931 1.528 5.476 57 HG1 THR 5 HG1 THR 5 1.986 1.183 2.644 58 HG21 THR 5 3HG2 THR 5 1.769 -0.932 3.650 59 HG22 THR 5 1HG2 THR 5 3.291 -0.261 4.302 60 HG23 THR 5 2HG2 THR 5 2.057 -0.919 5.406 61 H ILE 6 H ILE 6 -2.094 -0.044 3.620 62 HA ILE 6 HA ILE 6 -2.507 -1.852 6.085 63 HB ILE 6 HB ILE 6 -4.531 -0.799 4.037 64 HG12 ILE 6 1HG1 ILE 6 -4.200 -0.106 7.029 65 HG13 ILE 6 2HG1 ILE 6 -3.685 0.917 5.705 66 HG21 ILE 6 1HG2 ILE 6 -6.312 -1.866 5.443 67 HG22 ILE 6 2HG2 ILE 6 -5.208 -3.088 4.841 68 HG23 ILE 6 3HG2 ILE 6 -5.090 -2.557 6.536 69 HD11 ILE 6 3HD1 ILE 6 -5.823 1.728 6.590 70 HD12 ILE 6 1HD1 ILE 6 -6.039 1.181 4.904 71 HD13 ILE 6 2HD1 ILE 6 -6.624 0.187 6.267 72 H LYS 7 H LYS 7 -1.266 -3.603 5.578 73 HA LYS 7 HA LYS 7 -1.747 -4.996 2.888 74 HB2 LYS 7 1HB LYS 7 0.649 -5.596 4.637 75 HB3 LYS 7 2HB LYS 7 0.319 -6.075 3.004 76 HG2 LYS 7 1HG LYS 7 0.204 -3.369 2.580 77 HG3 LYS 7 2HG LYS 7 1.149 -3.314 4.049 78 HD2 LYS 7 1HD LYS 7 2.918 -4.806 2.954 79 HD3 LYS 7 2HD LYS 7 1.903 -4.947 1.527 80 HE2 LYS 7 1HE LYS 7 1.983 -2.234 1.482 81 HE3 LYS 7 2HE LYS 7 3.338 -2.410 2.583 82 HZ1 LYS 7 3HZ LYS 7 4.034 -4.181 0.599 83 HZ2 LYS 7 1HZ LYS 7 3.101 -3.185 -0.294 84 HZ3 LYS 7 2HZ LYS 7 4.406 -2.557 0.464 85 H ILE 8 H ILE 8 -3.224 -6.423 2.944 86 HA ILE 8 HA ILE 8 -3.928 -7.927 5.518 87 HB ILE 8 HB ILE 8 -5.586 -7.478 2.975 88 HG12 ILE 8 1HG1 ILE 8 -6.057 -6.073 5.681 89 HG13 ILE 8 2HG1 ILE 8 -5.104 -5.350 4.405 90 HG21 ILE 8 1HG2 ILE 8 -6.465 -8.580 5.739 91 HG22 ILE 8 2HG2 ILE 8 -7.556 -8.281 4.375 92 HG23 ILE 8 3HG2 ILE 8 -6.321 -9.541 4.251 93 HD11 ILE 8 3HD1 ILE 8 -7.025 -5.397 2.802 94 HD12 ILE 8 1HD1 ILE 8 -8.079 -6.096 4.064 95 HD13 ILE 8 2HD1 ILE 8 -7.396 -4.471 4.272 96 H GLN 9 H GLN 9 -2.615 -9.759 5.520 97 HA GLN 9 HA GLN 9 -2.035 -11.253 3.073 98 HB2 GLN 9 1HB GLN 9 -0.550 -11.008 5.149 99 HB3 GLN 9 2HB GLN 9 -1.507 -12.286 5.866 100 HG2 GLN 9 1HG GLN 9 -0.955 -13.699 3.691 101 HG3 GLN 9 2HG GLN 9 0.195 -12.451 3.279 102 HE21 GLN 9 1HE2 GLN 9 1.840 -12.001 5.125 103 HE22 GLN 9 2HE2 GLN 9 2.454 -13.554 5.934 104 H ARG 10 H ARG 10 -3.604 -12.285 2.080 105 HA ARG 10 HA ARG 10 -5.666 -13.985 3.584 106 HE ARG 10 HE ARG 10 -6.992 -9.388 1.461 107 HB2 ARG 10 1HB ARG 10 -5.532 -13.279 0.607 108 HB3 ARG 10 2HB ARG 10 -6.863 -14.070 1.434 109 HG2 ARG 10 1HG ARG 10 -7.356 -12.017 2.778 110 HG3 ARG 10 2HG ARG 10 -5.912 -11.229 2.161 111 HD2 ARG 10 1HD ARG 10 -6.992 -11.562 -0.259 112 HD3 ARG 10 2HD ARG 10 -8.486 -11.903 0.638 113 HH11 ARG 10 2HH1 ARG 10 -9.457 -10.574 -0.682 114 HH12 ARG 10 1HH1 ARG 10 -10.347 -8.973 -0.678 115 HH21 ARG 10 2HH2 ARG 10 -8.018 -7.578 1.435 116 HH22 ARG 10 1HH2 ARG 10 -9.529 -7.358 0.440 117 H ASP 11 H ASP 11 -3.928 -15.343 4.282 118 HA ASP 11 HA ASP 11 -2.326 -17.023 4.270 119 HB2 ASP 11 1HB ASP 11 -4.538 -18.257 2.583 120 HB3 ASP 11 2HB ASP 11 -3.051 -19.144 2.839 121 H GLY 12 H GLY 12 -0.489 -16.107 3.613 122 HA2 GLY 12 1HA GLY 12 1.459 -15.876 2.141 123 HA3 GLY 12 2HA GLY 12 0.609 -16.673 0.842 124 H GLN 13 H GLN 13 -1.613 -14.990 0.621 125 HA GLN 13 HA GLN 13 -0.416 -12.958 -1.188 126 HB2 GLN 13 1HB GLN 13 -3.325 -13.674 -0.476 127 HB3 GLN 13 2HB GLN 13 -2.918 -12.537 -1.729 128 HG2 GLN 13 1HG GLN 13 -1.850 -14.238 -3.135 129 HG3 GLN 13 2HG GLN 13 -1.814 -15.428 -1.852 130 HE21 GLN 13 1HE2 GLN 13 -4.160 -15.893 -0.910 131 HE22 GLN 13 2HE2 GLN 13 -5.361 -16.203 -2.275 132 H GLU 14 H GLU 14 0.587 -11.407 0.236 133 HA GLU 14 HA GLU 14 -0.877 -9.644 2.087 134 HB2 GLU 14 1HB GLU 14 1.715 -9.205 0.507 135 HB3 GLU 14 2HB GLU 14 1.093 -8.043 1.642 136 HG2 GLU 14 1HG GLU 14 1.797 -10.924 2.510 137 HG3 GLU 14 2HG GLU 14 2.943 -9.603 2.501 138 H ILE 15 H ILE 15 -2.820 -8.997 1.132 139 HA ILE 15 HA ILE 15 -2.822 -7.489 -1.474 140 HB ILE 15 HB ILE 15 -5.158 -8.047 0.396 141 HG12 ILE 15 1HG1 ILE 15 -4.453 -10.180 -0.380 142 HG13 ILE 15 2HG1 ILE 15 -5.878 -9.761 -1.294 143 HG21 ILE 15 1HG2 ILE 15 -5.715 -6.100 -1.041 144 HG22 ILE 15 2HG2 ILE 15 -5.195 -6.967 -2.501 145 HG23 ILE 15 3HG2 ILE 15 -6.628 -7.509 -1.603 146 HD11 ILE 15 3HD1 ILE 15 -4.293 -10.833 -2.826 147 HD12 ILE 15 1HD1 ILE 15 -4.377 -9.125 -3.303 148 HD13 ILE 15 2HD1 ILE 15 -2.982 -9.725 -2.371 149 H GLU 16 H GLU 16 -1.869 -5.645 -1.337 150 HA GLU 16 HA GLU 16 -1.969 -3.924 1.067 151 HB2 GLU 16 1HB GLU 16 0.017 -2.920 0.226 152 HB3 GLU 16 2HB GLU 16 0.086 -4.671 0.294 153 HG2 GLU 16 1HG GLU 16 -0.185 -4.741 -2.270 154 HG3 GLU 16 2HG GLU 16 -0.102 -2.971 -2.275 155 H ILE 17 H ILE 17 -3.329 -2.417 1.356 156 HA ILE 17 HA ILE 17 -4.138 -0.526 -0.943 157 HB ILE 17 HB ILE 17 -5.687 -0.831 1.675 158 HG12 ILE 17 1HG1 ILE 17 -7.574 -1.618 -0.094 159 HG13 ILE 17 2HG1 ILE 17 -6.209 -2.110 -1.076 160 HG21 ILE 17 1HG2 ILE 17 -5.826 1.454 0.636 161 HG22 ILE 17 2HG2 ILE 17 -6.363 0.747 -0.903 162 HG23 ILE 17 3HG2 ILE 17 -7.384 0.630 0.551 163 HD11 ILE 17 3HD1 ILE 17 -5.487 -3.721 0.741 164 HD12 ILE 17 1HD1 ILE 17 -6.717 -3.058 1.843 165 HD13 ILE 17 2HD1 ILE 17 -7.208 -3.957 0.387 166 H ASP 18 H ASP 18 -2.096 0.395 -0.758 167 HA ASP 18 HA ASP 18 -1.340 1.919 1.734 168 HB2 ASP 18 1HB ASP 18 0.163 1.123 -0.831 169 HB3 ASP 18 2HB ASP 18 0.814 2.264 0.323 170 H ILE 19 H ILE 19 -2.522 3.702 1.889 171 HA ILE 19 HA ILE 19 -2.592 5.710 -0.428 172 HB ILE 19 HB ILE 19 -5.029 6.069 -0.105 173 HG12 ILE 19 1HG1 ILE 19 -5.111 3.494 1.590 174 HG13 ILE 19 2HG1 ILE 19 -5.227 5.110 2.245 175 HG21 ILE 19 1HG2 ILE 19 -4.132 4.595 -1.956 176 HG22 ILE 19 2HG2 ILE 19 -4.430 3.167 -0.944 177 HG23 ILE 19 3HG2 ILE 19 -5.789 4.186 -1.477 178 HD11 ILE 19 3HD1 ILE 19 -7.501 4.234 2.046 179 HD12 ILE 19 1HD1 ILE 19 -7.335 5.552 0.862 180 HD13 ILE 19 2HD1 ILE 19 -7.288 3.852 0.326 181 H ARG 20 H ARG 20 -3.028 7.844 -0.014 182 HA ARG 20 HA ARG 20 -2.420 8.788 2.821 183 HE ARG 20 HE ARG 20 0.820 11.003 2.313 184 HB2 ARG 20 1HB ARG 20 -0.961 9.575 1.017 185 HB3 ARG 20 2HB ARG 20 -2.318 10.313 0.170 186 HG2 ARG 20 1HG ARG 20 -2.691 11.903 2.087 187 HG3 ARG 20 2HG ARG 20 -1.451 11.114 3.043 188 HD2 ARG 20 1HD ARG 20 -0.937 12.532 0.335 189 HD3 ARG 20 2HD ARG 20 -0.740 13.305 1.925 190 HH11 ARG 20 2HH1 ARG 20 0.975 13.491 -0.124 191 HH12 ARG 20 1HH1 ARG 20 2.633 12.939 -0.683 192 HH21 ARG 20 2HH2 ARG 20 2.497 10.253 1.502 193 HH22 ARG 20 1HH2 ARG 20 3.495 11.184 0.255 194 H VAL 21 H VAL 21 -4.281 8.815 3.961 195 HA VAL 21 HA VAL 21 -6.771 10.213 2.790 196 HB VAL 21 HB VAL 21 -8.125 9.267 4.561 197 HG11 VAL 21 1HG1 VAL 21 -6.694 7.081 2.940 198 HG12 VAL 21 2HG1 VAL 21 -8.293 6.942 3.706 199 HG13 VAL 21 3HG1 VAL 21 -8.047 8.091 2.377 200 HG21 VAL 21 3HG2 VAL 21 -6.528 8.817 6.405 201 HG22 VAL 21 1HG2 VAL 21 -7.392 7.333 5.977 202 HG23 VAL 21 2HG2 VAL 21 -5.708 7.569 5.446 203 H SER 22 H SER 22 -4.963 12.010 3.161 204 HA SER 22 HA SER 22 -5.271 13.276 5.903 205 HG SER 22 HG SER 22 -4.396 14.962 3.017 206 HB2 SER 22 1HB SER 22 -3.534 14.817 5.249 207 HB3 SER 22 2HB SER 22 -3.007 13.205 4.782 208 H THR 23 H THR 23 -7.555 13.401 5.536 209 HA THR 23 HA THR 23 -8.524 16.087 4.559 210 HB THR 23 HB THR 23 -8.510 15.032 2.457 211 HG1 THR 23 HG1 THR 23 -10.960 14.755 2.174 212 HG21 THR 23 3HG2 THR 23 -9.881 12.539 3.645 213 HG22 THR 23 1HG2 THR 23 -9.732 12.880 1.897 214 HG23 THR 23 2HG2 THR 23 -8.284 12.635 2.894 215 H GLY 24 H GLY 24 -9.893 16.770 6.018 216 HA2 GLY 24 1HA GLY 24 -10.824 15.199 8.314 217 HA3 GLY 24 2HA GLY 24 -11.328 16.836 7.949 218 H LYS 25 H LYS 25 -12.775 14.378 8.872 219 HA LYS 25 HA LYS 25 -14.819 13.313 8.666 220 HB2 LYS 25 1HB LYS 25 -15.704 15.338 6.547 221 HB3 LYS 25 2HB LYS 25 -16.698 14.119 7.300 222 HG2 LYS 25 1HG LYS 25 -17.309 15.843 8.650 223 HG3 LYS 25 2HG LYS 25 -15.980 15.239 9.626 224 HD2 LYS 25 1HD LYS 25 -14.448 16.989 8.592 225 HD3 LYS 25 2HD LYS 25 -15.744 17.591 7.598 226 HE2 LYS 25 1HE LYS 25 -15.792 17.556 10.715 227 HE3 LYS 25 2HE LYS 25 -15.171 18.907 9.773 228 HZ1 LYS 25 3HZ LYS 25 -17.408 19.110 8.676 229 HZ2 LYS 25 1HZ LYS 25 -17.999 17.871 9.566 230 HZ3 LYS 25 2HZ LYS 25 -17.567 19.276 10.306 231 H GLU 26 H GLU 26 -13.582 13.893 5.384 232 HA GLU 26 HA GLU 26 -14.534 11.469 4.073 233 HB2 GLU 26 1HB GLU 26 -12.003 13.141 3.674 234 HB3 GLU 26 2HB GLU 26 -12.420 11.797 2.627 235 HG2 GLU 26 1HG GLU 26 -14.617 12.968 2.027 236 HG3 GLU 26 2HG GLU 26 -14.093 14.367 2.970 237 H LEU 27 H LEU 27 -11.484 11.804 6.001 238 HA LEU 27 HA LEU 27 -10.645 9.066 5.649 239 HG LEU 27 HG LEU 27 -10.235 9.897 9.293 240 HB2 LEU 27 1HB LEU 27 -9.016 9.358 7.181 241 HB3 LEU 27 2HB LEU 27 -9.241 10.967 6.567 242 HD11 LEU 27 1HD1 LEU 27 -7.889 11.800 8.623 243 HD12 LEU 27 2HD1 LEU 27 -8.396 11.290 10.254 244 HD13 LEU 27 3HD1 LEU 27 -7.736 10.098 9.120 245 HD21 LEU 27 3HD2 LEU 27 -10.727 12.259 9.919 246 HD22 LEU 27 1HD2 LEU 27 -10.257 12.826 8.300 247 HD23 LEU 27 2HD2 LEU 27 -11.705 11.812 8.509 248 H GLU 28 H GLU 28 -13.105 10.140 7.918 249 HA GLU 28 HA GLU 28 -13.479 7.500 9.264 250 HB2 GLU 28 1HB GLU 28 -14.189 9.553 10.350 251 HB3 GLU 28 2HB GLU 28 -15.260 9.984 9.024 252 HG2 GLU 28 1HG GLU 28 -16.542 9.148 10.973 253 HG3 GLU 28 2HG GLU 28 -16.800 8.113 9.581 254 H ARG 29 H ARG 29 -14.985 8.977 6.381 255 HA ARG 29 HA ARG 29 -16.767 6.685 5.699 256 HE ARG 29 HE ARG 29 -19.348 11.259 5.707 257 HB2 ARG 29 1HB ARG 29 -15.539 8.831 3.848 258 HB3 ARG 29 2HB ARG 29 -16.622 7.577 3.314 259 HG2 ARG 29 1HG ARG 29 -18.003 9.413 3.465 260 HG3 ARG 29 2HG ARG 29 -18.459 8.458 4.860 261 HD2 ARG 29 1HD ARG 29 -17.368 9.986 6.414 262 HD3 ARG 29 2HD ARG 29 -16.395 10.732 5.183 263 HH11 ARG 29 2HH1 ARG 29 -16.639 11.974 3.647 264 HH12 ARG 29 1HH1 ARG 29 -17.459 13.440 2.929 265 HH21 ARG 29 2HH2 ARG 29 -20.273 12.907 4.849 266 HH22 ARG 29 1HH2 ARG 29 -19.430 13.916 3.590 267 H ALA 30 H ALA 30 -13.402 7.449 4.718 268 HA ALA 30 HA ALA 30 -12.880 4.888 3.330 269 HB1 ALA 30 3HB ALA 30 -10.477 5.536 3.592 270 HB2 ALA 30 1HB ALA 30 -11.451 6.900 3.010 271 HB3 ALA 30 2HB ALA 30 -10.929 6.841 4.713 272 H LEU 31 H LEU 31 -12.207 5.778 6.795 273 HA LEU 31 HA LEU 31 -11.283 3.203 7.732 274 HG LEU 31 HG LEU 31 -12.273 2.994 10.497 275 HB2 LEU 31 1HB LEU 31 -11.409 5.517 8.959 276 HB3 LEU 31 2HB LEU 31 -13.092 5.162 9.245 277 HD11 LEU 31 1HD1 LEU 31 -9.894 2.930 9.681 278 HD12 LEU 31 2HD1 LEU 31 -9.583 4.545 10.365 279 HD13 LEU 31 3HD1 LEU 31 -9.911 3.171 11.436 280 HD21 LEU 31 3HD2 LEU 31 -11.623 5.810 11.603 281 HD22 LEU 31 1HD2 LEU 31 -13.192 4.985 11.670 282 HD23 LEU 31 2HD2 LEU 31 -11.820 4.335 12.588 283 H GLN 32 H GLN 32 -14.733 4.267 7.520 284 HA GLN 32 HA GLN 32 -15.932 1.757 8.393 285 HB2 GLN 32 1HB GLN 32 -16.950 4.042 6.622 286 HB3 GLN 32 2HB GLN 32 -17.959 2.702 7.099 287 HG2 GLN 32 1HG GLN 32 -17.692 3.260 9.530 288 HG3 GLN 32 2HG GLN 32 -16.577 4.557 9.129 289 HE21 GLN 32 1HE2 GLN 32 -17.932 5.996 10.219 290 HE22 GLN 32 2HE2 GLN 32 -19.559 6.517 9.479 291 H GLU 33 H GLU 33 -15.264 2.771 4.972 292 HA GLU 33 HA GLU 33 -15.987 0.119 3.848 293 HB2 GLU 33 1HB GLU 33 -15.982 2.213 2.496 294 HB3 GLU 33 2HB GLU 33 -14.237 2.312 2.626 295 HG2 GLU 33 1HG GLU 33 -14.869 1.394 0.419 296 HG3 GLU 33 2HG GLU 33 -14.000 0.160 1.309 297 H LEU 34 H LEU 34 -12.792 1.421 4.927 298 HA LEU 34 HA LEU 34 -11.259 -1.009 4.310 299 HG LEU 34 HG LEU 34 -10.566 1.778 3.802 300 HB2 LEU 34 1HB LEU 34 -10.785 1.202 6.372 301 HB3 LEU 34 2HB LEU 34 -9.621 -0.065 6.083 302 HD11 LEU 34 1HD1 LEU 34 -8.447 3.086 4.220 303 HD12 LEU 34 2HD1 LEU 34 -9.608 3.220 5.553 304 HD13 LEU 34 3HD1 LEU 34 -8.193 2.168 5.728 305 HD21 LEU 34 3HD2 LEU 34 -9.453 -0.302 2.991 306 HD22 LEU 34 1HD2 LEU 34 -8.370 1.080 2.750 307 HD23 LEU 34 2HD2 LEU 34 -8.079 -0.048 4.094 308 H GLU 35 H GLU 35 -12.845 -0.156 7.464 309 HA GLU 35 HA GLU 35 -12.307 -2.681 8.817 310 HB2 GLU 35 1HB GLU 35 -13.312 -0.509 9.794 311 HB3 GLU 35 2HB GLU 35 -14.853 -0.966 9.096 312 HG2 GLU 35 1HG GLU 35 -14.659 -3.209 10.455 313 HG3 GLU 35 2HG GLU 35 -13.220 -2.531 11.210 314 H LYS 36 H LYS 36 -15.116 -1.845 6.772 315 HA LYS 36 HA LYS 36 -16.326 -4.519 6.626 316 HB2 LYS 36 1HB LYS 36 -17.299 -2.180 6.094 317 HB3 LYS 36 2HB LYS 36 -16.419 -2.215 4.586 318 HG2 LYS 36 1HG LYS 36 -17.851 -4.333 3.963 319 HG3 LYS 36 2HG LYS 36 -18.653 -4.155 5.512 320 HD2 LYS 36 1HD LYS 36 -20.144 -3.034 4.010 321 HD3 LYS 36 2HD LYS 36 -19.311 -1.743 4.843 322 HE2 LYS 36 1HE LYS 36 -17.601 -1.992 2.680 323 HE3 LYS 36 2HE LYS 36 -19.000 -2.713 1.922 324 HZ1 LYS 36 3HZ LYS 36 -20.137 -0.569 2.065 325 HZ2 LYS 36 1HZ LYS 36 -19.149 -0.019 3.278 326 HZ3 LYS 36 2HZ LYS 36 -18.527 -0.185 1.763 327 H ALA 37 H ALA 37 -13.898 -3.019 4.386 328 HA ALA 37 HA ALA 37 -13.545 -5.408 2.681 329 HB1 ALA 37 3HB ALA 37 -11.645 -3.034 3.167 330 HB2 ALA 37 1HB ALA 37 -11.586 -4.167 1.799 331 HB3 ALA 37 2HB ALA 37 -12.967 -3.066 1.979 332 H LEU 38 H LEU 38 -11.838 -4.497 5.694 333 HA LEU 38 HA LEU 38 -10.038 -6.812 5.752 334 HG LEU 38 HG LEU 38 -10.309 -7.230 8.970 335 HB2 LEU 38 1HB LEU 38 -9.864 -4.771 7.186 336 HB3 LEU 38 2HB LEU 38 -11.359 -5.185 8.003 337 HD11 LEU 38 1HD1 LEU 38 -7.707 -6.269 7.580 338 HD12 LEU 38 2HD1 LEU 38 -7.800 -7.539 8.820 339 HD13 LEU 38 3HD1 LEU 38 -8.580 -7.794 7.264 340 HD21 LEU 38 3HD2 LEU 38 -8.753 -4.596 9.453 341 HD22 LEU 38 1HD2 LEU 38 -10.253 -5.099 10.262 342 HD23 LEU 38 2HD2 LEU 38 -8.743 -5.986 10.555 343 H ALA 39 H ALA 39 -13.485 -6.624 6.741 344 HA ALA 39 HA ALA 39 -13.626 -9.572 7.320 345 HB1 ALA 39 3HB ALA 39 -15.879 -7.513 6.797 346 HB2 ALA 39 1HB ALA 39 -16.111 -9.179 7.377 347 HB3 ALA 39 2HB ALA 39 -15.247 -8.007 8.388 348 H ARG 40 H ARG 40 -14.477 -7.645 4.377 349 HA ARG 40 HA ARG 40 -14.948 -10.151 2.736 350 HE ARG 40 HE ARG 40 -17.408 -6.167 -0.127 351 HB2 ARG 40 1HB ARG 40 -14.593 -7.209 1.933 352 HB3 ARG 40 2HB ARG 40 -14.807 -8.470 0.768 353 HG2 ARG 40 1HG ARG 40 -17.074 -8.634 1.043 354 HG3 ARG 40 2HG ARG 40 -16.966 -8.662 2.783 355 HD2 ARG 40 1HD ARG 40 -18.254 -6.736 2.234 356 HD3 ARG 40 2HD ARG 40 -16.743 -6.196 2.903 357 HH11 ARG 40 2HH1 ARG 40 -15.754 -4.539 2.534 358 HH12 ARG 40 1HH1 ARG 40 -15.733 -2.978 1.518 359 HH21 ARG 40 2HH2 ARG 40 -17.192 -4.295 -1.165 360 HH22 ARG 40 1HH2 ARG 40 -16.398 -2.897 -0.259 361 H ALA 41 H ALA 41 -12.891 -10.880 3.815 362 HA ALA 41 HA ALA 41 -10.617 -10.898 1.805 363 HB1 ALA 41 3HB ALA 41 -10.173 -8.905 3.293 364 HB2 ALA 41 1HB ALA 41 -10.205 -9.952 4.726 365 HB3 ALA 41 2HB ALA 41 -8.931 -10.159 3.511 366 H GLY 42 H GLY 42 -11.243 -12.084 5.159 367 HA2 GLY 42 1HA GLY 42 -10.729 -14.326 6.075 368 HA3 GLY 42 2HA GLY 42 -10.417 -14.912 4.454 369 H ALA 43 H ALA 43 -9.026 -12.924 7.041 370 HA ALA 43 HA ALA 43 -6.281 -13.093 5.733 371 HB1 ALA 43 3HB ALA 43 -5.877 -10.941 6.833 372 HB2 ALA 43 1HB ALA 43 -7.444 -10.863 6.004 373 HB3 ALA 43 2HB ALA 43 -7.384 -11.057 7.775 374 H ARG 44 H ARG 44 -4.483 -13.671 6.758 375 HA ARG 44 HA ARG 44 -4.605 -14.579 9.703 376 HE ARG 44 HE ARG 44 -3.909 -19.779 9.853 377 HB2 ARG 44 1HB ARG 44 -2.876 -15.620 7.395 378 HB3 ARG 44 2HB ARG 44 -2.376 -15.809 9.066 379 HG2 ARG 44 1HG ARG 44 -4.593 -16.925 9.624 380 HG3 ARG 44 2HG ARG 44 -5.054 -16.841 7.928 381 HD2 ARG 44 1HD ARG 44 -3.276 -18.413 7.247 382 HD3 ARG 44 2HD ARG 44 -2.441 -18.237 8.768 383 HH11 ARG 44 2HH1 ARG 44 -5.285 -19.085 6.640 384 HH12 ARG 44 1HH1 ARG 44 -6.595 -20.304 6.959 385 HH21 ARG 44 2HH2 ARG 44 -5.380 -21.197 10.030 386 HH22 ARG 44 1HH2 ARG 44 -6.609 -21.451 8.710 387 H ASN 45 H ASN 45 -2.308 -12.824 7.539 388 HA ASN 45 HA ASN 45 -1.221 -11.446 10.068 389 HB2 ASN 45 1HB ASN 45 0.483 -12.718 8.765 390 HB3 ASN 45 2HB ASN 45 0.139 -11.791 7.326 391 HD21 ASN 45 1HD2 ASN 45 1.459 -9.994 7.001 392 HD22 ASN 45 2HD2 ASN 45 2.447 -9.271 8.373 393 H VAL 46 H VAL 46 -2.254 -9.616 10.414 394 HA VAL 46 HA VAL 46 -3.206 -7.846 8.071 395 HB VAL 46 HB VAL 46 -4.338 -8.415 10.861 396 HG11 VAL 46 1HG1 VAL 46 -5.412 -6.287 8.896 397 HG12 VAL 46 2HG1 VAL 46 -6.215 -6.845 10.391 398 HG13 VAL 46 3HG1 VAL 46 -4.680 -5.992 10.493 399 HG21 VAL 46 3HG2 VAL 46 -4.954 -10.105 9.098 400 HG22 VAL 46 1HG2 VAL 46 -6.367 -9.199 9.640 401 HG23 VAL 46 2HG2 VAL 46 -5.615 -8.809 8.073 402 H GLN 47 H GLN 47 -1.474 -6.531 7.786 403 HA GLN 47 HA GLN 47 -0.238 -5.185 10.243 404 HB2 GLN 47 1HB GLN 47 1.857 -5.099 9.151 405 HB3 GLN 47 2HB GLN 47 1.266 -6.738 9.339 406 HG2 GLN 47 1HG GLN 47 0.685 -6.778 6.841 407 HG3 GLN 47 2HG GLN 47 1.362 -5.154 6.699 408 HE21 GLN 47 1HE2 GLN 47 2.289 -7.464 5.262 409 HE22 GLN 47 2HE2 GLN 47 4.031 -7.606 5.789 410 H ILE 48 H ILE 48 -0.945 -3.272 10.566 411 HA ILE 48 HA ILE 48 -1.492 -1.352 8.239 412 HB ILE 48 HB ILE 48 -2.466 -1.196 11.143 413 HG12 ILE 48 1HG1 ILE 48 -4.796 -1.324 10.132 414 HG13 ILE 48 2HG1 ILE 48 -4.104 -1.760 8.582 415 HG21 ILE 48 1HG2 ILE 48 -2.136 1.101 10.245 416 HG22 ILE 48 2HG2 ILE 48 -3.011 0.714 8.760 417 HG23 ILE 48 3HG2 ILE 48 -3.867 0.778 10.320 418 HD11 ILE 48 3HD1 ILE 48 -3.416 -3.955 9.435 419 HD12 ILE 48 1HD1 ILE 48 -3.646 -3.462 11.130 420 HD13 ILE 48 2HD1 ILE 48 -5.051 -3.671 10.052 421 H THR 49 H THR 49 0.280 -0.157 7.803 422 HA THR 49 HA THR 49 2.017 0.906 10.114 423 HB THR 49 HB THR 49 2.966 0.685 7.227 424 HG1 THR 49 HG1 THR 49 2.450 -1.283 8.398 425 HG21 THR 49 3HG2 THR 49 5.236 0.892 8.262 426 HG22 THR 49 1HG2 THR 49 4.269 2.342 8.606 427 HG23 THR 49 2HG2 THR 49 4.513 1.114 9.874 428 H ILE 50 H ILE 50 1.340 2.871 10.661 429 HA ILE 50 HA ILE 50 0.514 4.827 8.451 430 HB ILE 50 HB ILE 50 -1.212 4.298 10.095 431 HG12 ILE 50 1HG1 ILE 50 -1.453 6.177 8.634 432 HG13 ILE 50 2HG1 ILE 50 -2.195 6.477 10.186 433 HG21 ILE 50 1HG2 ILE 50 0.326 5.987 12.152 434 HG22 ILE 50 2HG2 ILE 50 -1.351 5.420 12.296 435 HG23 ILE 50 3HG2 ILE 50 -0.030 4.242 12.243 436 HD11 ILE 50 3HD1 ILE 50 -0.034 7.933 10.726 437 HD12 ILE 50 1HD1 ILE 50 0.325 7.775 8.986 438 HD13 ILE 50 2HD1 ILE 50 -1.172 8.550 9.506 439 H SER 51 H SER 51 2.045 6.065 7.779 440 HA SER 51 HA SER 51 4.346 6.979 9.580 441 HG SER 51 HG SER 51 6.461 7.272 7.072 442 HB2 SER 51 1HB SER 51 4.779 5.968 7.287 443 HB3 SER 51 2HB SER 51 4.029 7.397 6.558 444 H ALA 52 H ALA 52 4.229 8.879 10.591 445 HA ALA 52 HA ALA 52 2.355 11.106 9.565 446 HB1 ALA 52 3HB ALA 52 2.955 10.359 12.494 447 HB2 ALA 52 1HB ALA 52 1.744 11.514 11.888 448 HB3 ALA 52 2HB ALA 52 1.532 9.786 11.586 449 H GLU 53 H GLU 53 2.827 13.286 10.529 450 HA GLU 53 HA GLU 53 5.572 14.090 9.754 451 HB2 GLU 53 1HB GLU 53 3.454 15.869 11.098 452 HB3 GLU 53 2HB GLU 53 4.882 16.415 10.257 453 HG2 GLU 53 1HG GLU 53 3.904 15.436 8.068 454 HG3 GLU 53 2HG GLU 53 2.464 15.021 8.979 455 H ASN 54 H ASN 54 3.947 13.900 12.824 456 HA ASN 54 HA ASN 54 6.534 14.406 14.397 457 HB2 ASN 54 1HB ASN 54 3.791 15.761 14.996 458 HB3 ASN 54 2HB ASN 54 5.110 15.712 16.134 459 HD21 ASN 54 1HD2 ASN 54 4.067 17.215 13.187 460 HD22 ASN 54 2HD2 ASN 54 5.402 18.482 13.231 461 H ASP 55 H ASP 55 6.173 13.725 16.781 462 HA ASP 55 HA ASP 55 5.167 10.978 16.915 463 HB2 ASP 55 1HB ASP 55 5.959 10.868 19.099 464 HB3 ASP 55 2HB ASP 55 7.103 11.878 18.262 465 H GLU 56 H GLU 56 3.694 13.951 18.324 466 HA GLU 56 HA GLU 56 1.441 12.702 19.524 467 HB2 GLU 56 1HB GLU 56 1.511 15.534 18.346 468 HB3 GLU 56 2HB GLU 56 0.253 14.940 19.405 469 HG2 GLU 56 1HG GLU 56 3.205 15.293 20.218 470 HG3 GLU 56 2HG GLU 56 1.855 16.307 20.679 471 H GLN 57 H GLN 57 1.541 13.690 16.156 472 HA GLN 57 HA GLN 57 -1.243 12.948 15.389 473 HB2 GLN 57 1HB GLN 57 1.341 12.872 13.711 474 HB3 GLN 57 2HB GLN 57 -0.268 12.640 13.059 475 HG2 GLN 57 1HG GLN 57 -0.889 15.014 13.634 476 HG3 GLN 57 2HG GLN 57 0.699 15.268 14.349 477 HE21 GLN 57 1HE2 GLN 57 0.430 17.045 12.657 478 HE22 GLN 57 2HE2 GLN 57 1.128 16.668 10.988 479 H ALA 58 H ALA 58 1.776 11.009 15.362 480 HA ALA 58 HA ALA 58 0.489 8.411 14.698 481 HB1 ALA 58 3HB ALA 58 2.779 7.551 15.463 482 HB2 ALA 58 1HB ALA 58 2.862 8.792 14.210 483 HB3 ALA 58 2HB ALA 58 3.224 9.199 15.911 484 H LYS 59 H LYS 59 1.364 9.900 17.867 485 HA LYS 59 HA LYS 59 0.563 7.612 19.513 486 HB2 LYS 59 1HB LYS 59 0.745 10.608 20.150 487 HB3 LYS 59 2HB LYS 59 0.324 9.436 21.374 488 HG2 LYS 59 1HG LYS 59 2.471 8.406 21.424 489 HG3 LYS 59 2HG LYS 59 2.837 8.835 19.772 490 HD2 LYS 59 1HD LYS 59 4.311 10.160 21.009 491 HD3 LYS 59 2HD LYS 59 3.108 11.263 20.388 492 HE2 LYS 59 1HE LYS 59 1.946 11.321 22.650 493 HE3 LYS 59 2HE LYS 59 3.185 10.216 23.290 494 HZ1 LYS 59 3HZ LYS 59 3.418 13.103 22.634 495 HZ2 LYS 59 1HZ LYS 59 4.389 12.239 23.642 496 HZ3 LYS 59 2HZ LYS 59 4.674 12.267 21.994 497 H GLU 60 H GLU 60 -1.556 10.353 18.460 498 HA GLU 60 HA GLU 60 -4.000 9.132 19.663 499 HB2 GLU 60 1HB GLU 60 -3.798 11.195 17.385 500 HB3 GLU 60 2HB GLU 60 -5.291 10.639 18.121 501 HG2 GLU 60 1HG GLU 60 -4.379 11.476 20.425 502 HG3 GLU 60 2HG GLU 60 -3.080 12.264 19.529 503 H LEU 61 H LEU 61 -2.692 8.969 16.315 504 HA LEU 61 HA LEU 61 -4.727 7.089 15.331 505 HG LEU 61 HG LEU 61 -3.645 9.571 14.117 506 HB2 LEU 61 1HB LEU 61 -1.887 7.642 14.333 507 HB3 LEU 61 2HB LEU 61 -3.020 6.619 13.478 508 HD11 LEU 61 1HD1 LEU 61 -2.957 10.099 11.794 509 HD12 LEU 61 2HD1 LEU 61 -1.591 9.417 12.692 510 HD13 LEU 61 3HD1 LEU 61 -2.478 8.406 11.524 511 HD21 LEU 61 3HD2 LEU 61 -5.689 8.205 13.580 512 HD22 LEU 61 1HD2 LEU 61 -5.336 9.319 12.253 513 HD23 LEU 61 2HD2 LEU 61 -4.923 7.595 12.095 514 H LEU 62 H LEU 62 -1.623 6.361 16.924 515 HA LEU 62 HA LEU 62 -1.784 3.469 16.994 516 HG LEU 62 HG LEU 62 -1.023 3.565 20.379 517 HB2 LEU 62 1HB LEU 62 0.163 4.693 17.771 518 HB3 LEU 62 2HB LEU 62 -0.757 5.559 18.974 519 HD11 LEU 62 1HD1 LEU 62 0.629 2.016 18.268 520 HD12 LEU 62 2HD1 LEU 62 0.239 1.443 19.912 521 HD13 LEU 62 3HD1 LEU 62 -1.059 1.701 18.751 522 HD21 LEU 62 3HD2 LEU 62 1.912 4.011 19.514 523 HD22 LEU 62 1HD2 LEU 62 0.992 5.046 20.636 524 HD23 LEU 62 2HD2 LEU 62 1.358 3.370 21.083 525 H GLU 63 H GLU 63 -3.423 5.741 19.249 526 HA GLU 63 HA GLU 63 -4.965 3.635 20.653 527 HB2 GLU 63 1HB GLU 63 -4.496 6.150 21.364 528 HB3 GLU 63 2HB GLU 63 -5.895 6.559 20.407 529 HG2 GLU 63 1HG GLU 63 -5.821 4.603 22.816 530 HG3 GLU 63 2HG GLU 63 -6.341 6.272 22.887 531 H LEU 64 H LEU 64 -5.912 5.832 17.962 532 HA LEU 64 HA LEU 64 -8.562 4.763 17.519 533 HG LEU 64 HG LEU 64 -9.749 5.997 15.716 534 HB2 LEU 64 1HB LEU 64 -7.506 6.942 16.743 535 HB3 LEU 64 2HB LEU 64 -6.697 6.067 15.469 536 HD11 LEU 64 1HD1 LEU 64 -9.096 8.413 15.740 537 HD12 LEU 64 2HD1 LEU 64 -8.087 8.183 14.292 538 HD13 LEU 64 3HD1 LEU 64 -9.856 7.996 14.191 539 HD21 LEU 64 3HD2 LEU 64 -9.637 5.748 13.190 540 HD22 LEU 64 1HD2 LEU 64 -7.860 5.739 13.268 541 HD23 LEU 64 2HD2 LEU 64 -8.803 4.420 13.999 542 H ILE 65 H ILE 65 -5.578 3.683 15.801 543 HA ILE 65 HA ILE 65 -7.060 1.586 14.261 544 HB ILE 65 HB ILE 65 -4.070 1.561 14.787 545 HG12 ILE 65 1HG1 ILE 65 -5.210 2.627 12.148 546 HG13 ILE 65 2HG1 ILE 65 -4.925 3.709 13.489 547 HG21 ILE 65 1HG2 ILE 65 -5.748 0.191 12.547 548 HG22 ILE 65 2HG2 ILE 65 -3.978 0.079 12.703 549 HG23 ILE 65 3HG2 ILE 65 -5.015 -0.638 13.926 550 HD11 ILE 65 3HD1 ILE 65 -2.936 3.598 11.913 551 HD12 ILE 65 1HD1 ILE 65 -2.507 3.182 13.590 552 HD13 ILE 65 2HD1 ILE 65 -2.665 1.907 12.373 553 H ALA 66 H ALA 66 -5.084 1.409 17.310 554 HA ALA 66 HA ALA 66 -5.423 -1.491 17.737 555 HB1 ALA 66 3HB ALA 66 -4.607 -0.966 20.044 556 HB2 ALA 66 1HB ALA 66 -3.624 -0.136 18.824 557 HB3 ALA 66 2HB ALA 66 -4.836 0.773 19.758 558 H ARG 67 H ARG 67 -7.306 1.266 19.072 559 HA ARG 67 HA ARG 67 -9.492 -0.155 20.339 560 HE ARG 67 HE ARG 67 -13.009 4.164 20.386 561 HB2 ARG 67 1HB ARG 67 -8.900 2.197 20.540 562 HB3 ARG 67 2HB ARG 67 -9.233 2.514 18.841 563 HG2 ARG 67 1HG ARG 67 -11.617 2.410 19.134 564 HG3 ARG 67 2HG ARG 67 -11.497 1.726 20.768 565 HD2 ARG 67 1HD ARG 67 -10.439 3.734 21.673 566 HD3 ARG 67 2HD ARG 67 -10.105 4.402 20.079 567 HH11 ARG 67 2HH1 ARG 67 -10.259 6.102 21.561 568 HH12 ARG 67 1HH1 ARG 67 -11.375 7.521 21.855 569 HH21 ARG 67 2HH2 ARG 67 -14.167 5.856 20.719 570 HH22 ARG 67 1HH2 ARG 67 -13.447 7.389 21.393 571 H LEU 68 H LEU 68 -9.222 0.658 16.816 572 HA LEU 68 HA LEU 68 -11.780 -0.642 16.052 573 HG LEU 68 HG LEU 68 -12.050 -1.130 13.701 574 HB2 LEU 68 1HB LEU 68 -10.548 1.063 14.708 575 HB3 LEU 68 2HB LEU 68 -9.271 -0.078 14.370 576 HD11 LEU 68 1HD1 LEU 68 -12.446 0.249 11.739 577 HD12 LEU 68 2HD1 LEU 68 -12.385 1.293 13.163 578 HD13 LEU 68 3HD1 LEU 68 -10.990 1.232 12.049 579 HD21 LEU 68 3HD2 LEU 68 -9.476 -0.896 11.995 580 HD22 LEU 68 1HD2 LEU 68 -9.957 -2.319 12.953 581 HD23 LEU 68 2HD2 LEU 68 -10.943 -1.809 11.568 582 H LEU 69 H LEU 69 -8.412 -1.885 15.908 583 HA LEU 69 HA LEU 69 -9.219 -4.587 15.032 584 HG LEU 69 HG LEU 69 -7.114 -2.473 14.066 585 HB2 LEU 69 1HB LEU 69 -6.570 -3.671 16.265 586 HB3 LEU 69 2HB LEU 69 -6.816 -5.210 15.464 587 HD11 LEU 69 1HD1 LEU 69 -4.777 -2.912 14.798 588 HD12 LEU 69 2HD1 LEU 69 -4.762 -4.460 13.922 589 HD13 LEU 69 3HD1 LEU 69 -4.919 -2.930 13.033 590 HD21 LEU 69 3HD2 LEU 69 -7.032 -5.302 12.822 591 HD22 LEU 69 1HD2 LEU 69 -8.451 -4.224 12.886 592 HD23 LEU 69 2HD2 LEU 69 -7.040 -3.759 11.927 593 H GLN 70 H GLN 70 -8.468 -3.461 18.370 594 HA GLN 70 HA GLN 70 -9.146 -6.095 19.612 595 HB2 GLN 70 1HB GLN 70 -8.977 -3.252 20.789 596 HB3 GLN 70 2HB GLN 70 -9.530 -4.628 21.709 597 HG2 GLN 70 1HG GLN 70 -7.328 -4.555 22.348 598 HG3 GLN 70 2HG GLN 70 -7.295 -5.851 21.187 599 HE21 GLN 70 1HE2 GLN 70 -6.277 -5.279 19.049 600 HE22 GLN 70 2HE2 GLN 70 -5.038 -3.911 19.070 601 H LYS 71 H LYS 71 -11.176 -3.234 18.811 602 HA LYS 71 HA LYS 71 -13.749 -4.355 19.719 603 HB2 LYS 71 1HB LYS 71 -13.423 -2.012 19.283 604 HB3 LYS 71 2HB LYS 71 -12.955 -2.259 17.625 605 HG2 LYS 71 1HG LYS 71 -15.804 -2.982 18.550 606 HG3 LYS 71 2HG LYS 71 -15.321 -1.316 18.255 607 HD2 LYS 71 1HD LYS 71 -14.449 -2.117 15.892 608 HD3 LYS 71 2HD LYS 71 -15.329 -3.610 16.196 609 HE2 LYS 71 1HE LYS 71 -17.492 -2.261 16.473 610 HE3 LYS 71 2HE LYS 71 -16.581 -0.766 16.203 611 HZ1 LYS 71 3HZ LYS 71 -15.841 -1.753 13.931 612 HZ2 LYS 71 1HZ LYS 71 -16.839 -3.007 14.177 613 HZ3 LYS 71 2HZ LYS 71 -17.437 -1.489 13.996 614 H LEU 72 H LEU 72 -12.177 -4.730 16.471 615 HA LEU 72 HA LEU 72 -14.055 -6.828 15.556 616 HG LEU 72 HG LEU 72 -11.979 -6.001 12.519 617 HB2 LEU 72 1HB LEU 72 -11.215 -5.995 14.789 618 HB3 LEU 72 2HB LEU 72 -11.689 -7.593 14.334 619 HD11 LEU 72 1HD1 LEU 72 -14.179 -6.754 11.716 620 HD12 LEU 72 2HD1 LEU 72 -13.411 -8.085 12.602 621 HD13 LEU 72 3HD1 LEU 72 -14.720 -7.148 13.361 622 HD21 LEU 72 3HD2 LEU 72 -12.647 -3.928 13.722 623 HD22 LEU 72 1HD2 LEU 72 -13.852 -4.343 12.485 624 HD23 LEU 72 2HD2 LEU 72 -14.201 -4.660 14.190 625 H GLY 73 H GLY 73 -10.960 -7.213 17.275 626 HA2 GLY 73 1HA GLY 73 -10.973 -8.759 19.264 627 HA3 GLY 73 2HA GLY 73 -11.990 -9.893 18.407 628 H TYR 74 H TYR 74 -8.930 -8.348 17.338 629 HA TYR 74 HA TYR 74 -7.772 -11.006 16.582 630 HD1 TYR 74 HD1 TYR 74 -8.520 -7.358 15.053 631 HD2 TYR 74 HD2 TYR 74 -6.137 -10.749 13.927 632 HE1 TYR 74 HE1 TYR 74 -9.395 -7.214 12.765 633 HE2 TYR 74 HE2 TYR 74 -7.007 -10.587 11.631 634 HH TYR 74 HH TYR 74 -9.375 -8.112 10.717 635 HB2 TYR 74 1HB TYR 74 -6.567 -8.165 16.511 636 HB3 TYR 74 2HB TYR 74 -5.699 -9.595 16.034 637 H LYS 75 H LYS 75 -6.355 -12.239 17.700 638 HA LYS 75 HA LYS 75 -5.919 -11.483 20.597 639 HB2 LYS 75 1HB LYS 75 -5.402 -14.237 19.406 640 HB3 LYS 75 2HB LYS 75 -5.579 -13.802 21.091 641 HG2 LYS 75 1HG LYS 75 -7.758 -13.923 18.940 642 HG3 LYS 75 2HG LYS 75 -7.582 -14.976 20.330 643 HD2 LYS 75 1HD LYS 75 -8.188 -13.084 21.886 644 HD3 LYS 75 2HD LYS 75 -8.239 -11.959 20.524 645 HE2 LYS 75 1HE LYS 75 -10.088 -13.335 19.427 646 HE3 LYS 75 2HE LYS 75 -10.105 -14.421 20.820 647 HZ1 LYS 75 3HZ LYS 75 -11.786 -12.574 21.058 648 HZ2 LYS 75 1HZ LYS 75 -10.662 -12.443 22.258 649 HZ3 LYS 75 2HZ LYS 75 -10.600 -11.442 20.961 650 H ASP 76 H ASP 76 -3.782 -12.329 17.883 651 HA ASP 76 HA ASP 76 -1.289 -11.845 19.567 652 HB2 ASP 76 1HB ASP 76 -1.214 -13.664 17.882 653 HB3 ASP 76 2HB ASP 76 -1.723 -12.542 16.626 654 H ILE 77 H ILE 77 -0.545 -9.837 19.752 655 HA ILE 77 HA ILE 77 -1.330 -7.617 17.796 656 HB ILE 77 HB ILE 77 -1.619 -7.367 20.833 657 HG12 ILE 77 1HG1 ILE 77 -3.978 -7.171 18.850 658 HG13 ILE 77 2HG1 ILE 77 -3.549 -8.691 19.584 659 HG21 ILE 77 1HG2 ILE 77 -0.934 -5.190 19.800 660 HG22 ILE 77 2HG2 ILE 77 -2.252 -5.295 18.610 661 HG23 ILE 77 3HG2 ILE 77 -2.610 -5.069 20.338 662 HD11 ILE 77 3HD1 ILE 77 -4.360 -6.247 21.259 663 HD12 ILE 77 1HD1 ILE 77 -5.368 -7.657 20.861 664 HD13 ILE 77 2HD1 ILE 77 -3.929 -7.861 21.883 665 H ASN 78 H ASN 78 0.713 -7.548 16.946 666 HA ASN 78 HA ASN 78 3.080 -6.927 18.789 667 HB2 ASN 78 1HB ASN 78 3.293 -8.833 17.212 668 HB3 ASN 78 2HB ASN 78 2.953 -7.796 15.840 669 HD21 ASN 78 1HD2 ASN 78 4.996 -8.317 14.874 670 HD22 ASN 78 2HD2 ASN 78 6.546 -7.692 15.661 671 H VAL 79 H VAL 79 3.511 -4.833 19.095 672 HA VAL 79 HA VAL 79 2.722 -2.745 16.973 673 HB VAL 79 HB VAL 79 3.000 -2.284 19.983 674 HG11 VAL 79 1HG1 VAL 79 3.462 -0.208 18.610 675 HG12 VAL 79 2HG1 VAL 79 1.905 -0.402 17.772 676 HG13 VAL 79 3HG1 VAL 79 1.959 -0.058 19.520 677 HG21 VAL 79 3HG2 VAL 79 0.405 -2.531 18.303 678 HG22 VAL 79 1HG2 VAL 79 0.938 -3.629 19.590 679 HG23 VAL 79 2HG2 VAL 79 0.483 -1.968 19.995 680 H ARG 80 H ARG 80 4.426 -2.124 15.839 681 HA ARG 80 HA ARG 80 7.128 -1.610 17.245 682 HE ARG 80 HE ARG 80 10.760 -1.391 12.792 683 HB2 ARG 80 1HB ARG 80 7.287 -3.455 15.597 684 HB3 ARG 80 2HB ARG 80 6.664 -2.422 14.321 685 HG2 ARG 80 1HG ARG 80 8.666 -0.863 14.618 686 HG3 ARG 80 2HG ARG 80 9.301 -1.920 15.872 687 HD2 ARG 80 1HD ARG 80 9.502 -3.820 14.160 688 HD3 ARG 80 2HD ARG 80 8.770 -2.792 12.948 689 HH11 ARG 80 2HH1 ARG 80 11.207 -3.797 15.261 690 HH12 ARG 80 1HH1 ARG 80 12.997 -3.439 15.385 691 HH21 ARG 80 2HH2 ARG 80 12.768 -0.962 12.998 692 HH22 ARG 80 1HH2 ARG 80 13.817 -1.910 14.143 693 H VAL 81 H VAL 81 7.199 0.520 17.671 694 HA VAL 81 HA VAL 81 6.134 2.554 15.649 695 HB VAL 81 HB VAL 81 7.089 3.144 18.495 696 HG11 VAL 81 1HG1 VAL 81 5.856 5.328 18.156 697 HG12 VAL 81 2HG1 VAL 81 7.171 5.148 16.993 698 HG13 VAL 81 3HG1 VAL 81 5.497 4.876 16.471 699 HG21 VAL 81 3HG2 VAL 81 5.066 1.769 18.759 700 HG22 VAL 81 1HG2 VAL 81 4.607 3.450 19.055 701 HG23 VAL 81 2HG2 VAL 81 4.196 2.668 17.506 702 H ASN 82 H ASN 82 7.624 2.935 14.101 703 HA ASN 82 HA ASN 82 10.619 3.027 14.786 704 HB2 ASN 82 1HB ASN 82 9.729 1.566 12.899 705 HB3 ASN 82 2HB ASN 82 9.268 2.993 12.017 706 HD21 ASN 82 1HD2 ASN 82 10.863 3.912 10.699 707 HD22 ASN 82 2HD2 ASN 82 12.619 3.366 10.821 708 H GLY 83 H GLY 83 10.173 4.958 16.046 709 HA2 GLY 83 1HA GLY 83 10.656 7.359 16.303 710 HA3 GLY 83 2HA GLY 83 10.702 7.574 14.564 711 H THR 84 H THR 84 8.795 7.853 13.474 712 HA THR 84 HA THR 84 6.158 7.921 14.937 713 HB THR 84 HB THR 84 6.755 10.230 15.105 714 HG1 THR 84 HG1 THR 84 4.837 10.985 14.262 715 HG21 THR 84 3HG2 THR 84 8.243 10.652 13.132 716 HG22 THR 84 1HG2 THR 84 6.877 10.390 12.024 717 HG23 THR 84 2HG2 THR 84 6.877 11.784 13.133 718 H GLU 85 H GLU 85 7.167 5.929 13.479 719 HA GLU 85 HA GLU 85 5.035 5.693 11.271 720 HB2 GLU 85 1HB GLU 85 7.701 4.202 11.447 721 HB3 GLU 85 2HB GLU 85 6.453 3.907 10.253 722 HG2 GLU 85 1HG GLU 85 6.829 6.262 9.331 723 HG3 GLU 85 2HG GLU 85 8.111 6.504 10.510 724 H VAL 86 H VAL 86 3.404 4.749 12.364 725 HA VAL 86 HA VAL 86 3.967 2.718 14.594 726 HB VAL 86 HB VAL 86 1.471 4.307 13.861 727 HG11 VAL 86 1HG1 VAL 86 0.333 3.319 15.871 728 HG12 VAL 86 2HG1 VAL 86 0.627 2.096 14.637 729 HG13 VAL 86 3HG1 VAL 86 1.672 2.158 16.076 730 HG21 VAL 86 3HG2 VAL 86 3.065 4.301 16.507 731 HG22 VAL 86 1HG2 VAL 86 3.322 5.469 15.203 732 HG23 VAL 86 2HG2 VAL 86 1.750 5.396 16.030 733 H LYS 87 H LYS 87 4.473 0.819 13.643 734 HA LYS 87 HA LYS 87 2.546 -0.484 11.678 735 HB2 LYS 87 1HB LYS 87 5.041 -0.827 11.400 736 HB3 LYS 87 2HB LYS 87 5.056 -1.689 12.934 737 HG2 LYS 87 1HG LYS 87 3.185 -3.250 11.887 738 HG3 LYS 87 2HG LYS 87 3.507 -2.440 10.370 739 HD2 LYS 87 1HD LYS 87 6.002 -3.234 10.623 740 HD3 LYS 87 2HD LYS 87 5.456 -4.166 12.030 741 HE2 LYS 87 1HE LYS 87 3.633 -5.226 10.461 742 HE3 LYS 87 2HE LYS 87 4.417 -4.423 9.108 743 HZ1 LYS 87 3HZ LYS 87 5.391 -6.697 10.816 744 HZ2 LYS 87 1HZ LYS 87 5.346 -6.566 9.181 745 HZ3 LYS 87 2HZ LYS 87 6.544 -5.765 10.019 746 H ILE 88 H ILE 88 0.672 -0.927 12.722 747 HA ILE 88 HA ILE 88 0.787 -2.706 15.239 748 HB ILE 88 HB ILE 88 -1.560 -1.263 13.947 749 HG12 ILE 88 1HG1 ILE 88 -0.552 -0.959 16.857 750 HG13 ILE 88 2HG1 ILE 88 0.228 -0.061 15.582 751 HG21 ILE 88 1HG2 ILE 88 -1.563 -3.242 16.338 752 HG22 ILE 88 2HG2 ILE 88 -2.917 -2.160 15.930 753 HG23 ILE 88 3HG2 ILE 88 -2.416 -3.415 14.784 754 HD11 ILE 88 3HD1 ILE 88 -1.900 1.036 14.908 755 HD12 ILE 88 1HD1 ILE 88 -2.792 0.138 16.171 756 HD13 ILE 88 2HD1 ILE 88 -1.547 1.316 16.621 757 H GLU 89 H GLU 89 1.376 -4.611 14.662 758 HA GLU 89 HA GLU 89 0.401 -6.014 12.122 759 HB2 GLU 89 1HB GLU 89 2.876 -5.629 12.552 760 HB3 GLU 89 2HB GLU 89 2.744 -6.494 14.058 761 HG2 GLU 89 1HG GLU 89 1.972 -8.582 12.618 762 HG3 GLU 89 2HG GLU 89 2.487 -7.670 11.208 763 H VAL 90 H VAL 90 -1.511 -7.014 12.630 764 HA VAL 90 HA VAL 90 -1.682 -8.579 15.261 765 HB VAL 90 HB VAL 90 -4.053 -8.352 15.326 766 HG11 VAL 90 1HG1 VAL 90 -2.758 -5.589 15.113 767 HG12 VAL 90 2HG1 VAL 90 -4.302 -5.948 15.928 768 HG13 VAL 90 3HG1 VAL 90 -2.794 -6.633 16.545 769 HG21 VAL 90 3HG2 VAL 90 -4.742 -8.134 12.972 770 HG22 VAL 90 1HG2 VAL 90 -5.385 -6.781 13.897 771 HG23 VAL 90 2HG2 VAL 90 -3.969 -6.534 12.838 772 H ARG 91 H ARG 91 -2.356 -10.616 15.335 773 HA ARG 91 HA ARG 91 -3.260 -11.983 12.746 774 HE ARG 91 HE ARG 91 2.233 -13.259 11.658 775 HB2 ARG 91 1HB ARG 91 -1.412 -13.367 14.777 776 HB3 ARG 91 2HB ARG 91 -2.115 -14.111 13.371 777 HG2 ARG 91 1HG ARG 91 -0.741 -12.834 11.828 778 HG3 ARG 91 2HG ARG 91 -0.290 -11.668 13.063 779 HD2 ARG 91 1HD ARG 91 0.897 -13.649 14.348 780 HD3 ARG 91 2HD ARG 91 0.620 -14.611 12.913 781 HH11 ARG 91 2HH1 ARG 91 1.718 -11.700 14.869 782 HH12 ARG 91 1HH1 ARG 91 3.071 -10.532 14.389 783 HH21 ARG 91 2HH2 ARG 91 3.640 -11.800 11.346 784 HH22 ARG 91 1HH2 ARG 91 3.997 -10.560 12.665 785 H VAL 92 H VAL 92 -4.698 -13.653 12.956 786 HA VAL 92 HA VAL 92 -6.825 -13.039 14.851 787 HB VAL 92 HB VAL 92 -6.629 -15.433 12.920 788 HG11 VAL 92 1HG1 VAL 92 -9.159 -15.460 12.979 789 HG12 VAL 92 2HG1 VAL 92 -8.484 -15.848 14.564 790 HG13 VAL 92 3HG1 VAL 92 -9.152 -14.228 14.263 791 HG21 VAL 92 3HG2 VAL 92 -6.509 -13.199 11.701 792 HG22 VAL 92 1HG2 VAL 92 -8.001 -14.066 11.338 793 HG23 VAL 92 2HG2 VAL 92 -8.028 -12.703 12.480 Start of MODEL 9 1 H HIS -1 H HIS -1 9.355 15.019 2.588 2 HA HIS -1 HA HIS -1 7.050 15.618 2.870 3 HD2 HIS -1 HD2 HIS -1 9.494 13.679 0.208 4 HE1 HIS -1 HE1 HIS -1 6.772 15.946 -2.000 5 HE2 HIS -1 HE2 HIS -1 9.180 15.021 -2.083 6 HB2 HIS -1 1HB HIS -1 7.698 12.718 2.079 7 HB3 HIS -1 2HB HIS -1 6.074 13.344 1.972 8 H MET 0 H MET 0 6.442 16.133 4.917 9 HA MET 0 HA MET 0 5.629 14.144 6.985 10 HB2 MET 0 1HB MET 0 6.431 16.478 7.454 11 HB3 MET 0 2HB MET 0 5.021 17.152 6.642 12 HG2 MET 0 1HG MET 0 3.523 16.090 8.396 13 HG3 MET 0 2HG MET 0 4.948 15.462 9.239 14 HE1 MET 0 3HE MET 0 6.452 18.521 10.979 15 HE2 MET 0 1HE MET 0 6.110 16.769 11.063 16 HE3 MET 0 2HE MET 0 7.113 17.423 9.728 17 H LYS 1 H LYS 1 3.956 12.777 6.569 18 HA LYS 1 HA LYS 1 1.391 13.849 5.379 19 HB2 LYS 1 1HB LYS 1 3.279 12.924 3.651 20 HB3 LYS 1 2HB LYS 1 2.648 11.375 4.110 21 HG2 LYS 1 1HG LYS 1 1.503 11.987 2.137 22 HG3 LYS 1 2HG LYS 1 0.292 12.192 3.367 23 HD2 LYS 1 1HD LYS 1 2.020 14.645 2.553 24 HD3 LYS 1 2HD LYS 1 0.881 14.035 1.401 25 HE2 LYS 1 1HE LYS 1 -0.685 15.391 2.338 26 HE3 LYS 1 2HE LYS 1 -0.843 14.182 3.590 27 HZ1 LYS 1 3HZ LYS 1 1.398 15.863 4.265 28 HZ2 LYS 1 1HZ LYS 1 0.072 16.831 3.986 29 HZ3 LYS 1 2HZ LYS 1 0.026 15.629 5.122 30 H VAL 2 H VAL 2 -0.481 13.080 6.083 31 HA VAL 2 HA VAL 2 -0.755 10.579 7.629 32 HB VAL 2 HB VAL 2 -3.036 12.058 6.236 33 HG11 VAL 2 1HG1 VAL 2 -3.611 9.715 7.038 34 HG12 VAL 2 2HG1 VAL 2 -3.110 10.156 8.685 35 HG13 VAL 2 3HG1 VAL 2 -4.504 10.961 7.919 36 HG21 VAL 2 3HG2 VAL 2 -2.026 13.699 7.771 37 HG22 VAL 2 1HG2 VAL 2 -3.538 13.136 8.470 38 HG23 VAL 2 2HG2 VAL 2 -1.985 12.529 9.108 39 H ASP 3 H ASP 3 0.212 9.022 6.425 40 HA ASP 3 HA ASP 3 -0.955 8.243 3.697 41 HB2 ASP 3 1HB ASP 3 1.511 9.404 4.097 42 HB3 ASP 3 2HB ASP 3 1.992 7.745 4.382 43 H ILE 4 H ILE 4 -1.819 6.260 3.625 44 HA ILE 4 HA ILE 4 -1.367 4.450 6.048 45 HB ILE 4 HB ILE 4 -3.700 3.915 6.162 46 HG12 ILE 4 1HG1 ILE 4 -4.326 6.216 4.214 47 HG13 ILE 4 2HG1 ILE 4 -4.416 4.518 3.808 48 HG21 ILE 4 1HG2 ILE 4 -2.621 5.768 7.548 49 HG22 ILE 4 2HG2 ILE 4 -3.268 6.967 6.418 50 HG23 ILE 4 3HG2 ILE 4 -4.378 5.958 7.379 51 HD11 ILE 4 3HD1 ILE 4 -6.683 5.329 4.312 52 HD12 ILE 4 1HD1 ILE 4 -6.218 4.159 5.571 53 HD13 ILE 4 2HD1 ILE 4 -6.188 5.906 5.916 54 H THR 5 H THR 5 -0.146 2.925 5.291 55 HA THR 5 HA THR 5 -0.796 1.542 2.629 56 HB THR 5 HB THR 5 1.835 1.455 4.180 57 HG1 THR 5 HG1 THR 5 1.377 2.829 1.700 58 HG21 THR 5 3HG2 THR 5 1.610 -0.519 2.660 59 HG22 THR 5 1HG2 THR 5 1.149 0.546 1.305 60 HG23 THR 5 2HG2 THR 5 2.780 0.634 1.998 61 H ILE 6 H ILE 6 -2.348 0.141 3.118 62 HA ILE 6 HA ILE 6 -2.226 -1.550 5.666 63 HB ILE 6 HB ILE 6 -4.643 -1.330 3.786 64 HG12 ILE 6 1HG1 ILE 6 -5.531 0.124 5.937 65 HG13 ILE 6 2HG1 ILE 6 -3.842 0.590 6.016 66 HG21 ILE 6 1HG2 ILE 6 -5.910 -2.184 5.780 67 HG22 ILE 6 2HG2 ILE 6 -4.657 -3.321 5.268 68 HG23 ILE 6 3HG2 ILE 6 -4.388 -2.306 6.701 69 HD11 ILE 6 3HD1 ILE 6 -4.019 1.381 3.560 70 HD12 ILE 6 1HD1 ILE 6 -5.725 0.906 3.565 71 HD13 ILE 6 2HD1 ILE 6 -5.154 2.205 4.637 72 H LYS 7 H LYS 7 -1.003 -3.337 5.250 73 HA LYS 7 HA LYS 7 -1.262 -4.644 2.503 74 HB2 LYS 7 1HB LYS 7 0.980 -5.304 2.490 75 HB3 LYS 7 2HB LYS 7 0.816 -3.575 2.698 76 HG2 LYS 7 1HG LYS 7 1.198 -4.015 5.274 77 HG3 LYS 7 2HG LYS 7 1.679 -5.632 4.761 78 HD2 LYS 7 1HD LYS 7 2.955 -2.943 3.928 79 HD3 LYS 7 2HD LYS 7 3.624 -4.059 5.106 80 HE2 LYS 7 1HE LYS 7 3.330 -4.583 2.063 81 HE3 LYS 7 2HE LYS 7 4.809 -4.122 2.864 82 HZ1 LYS 7 3HZ LYS 7 3.267 -6.698 3.117 83 HZ2 LYS 7 1HZ LYS 7 4.784 -6.576 2.693 84 HZ3 LYS 7 2HZ LYS 7 4.352 -6.329 4.313 85 H ILE 8 H ILE 8 -2.273 -6.355 2.350 86 HA ILE 8 HA ILE 8 -3.216 -7.752 4.898 87 HB ILE 8 HB ILE 8 -4.528 -7.521 2.123 88 HG12 ILE 8 1HG1 ILE 8 -5.309 -5.996 4.693 89 HG13 ILE 8 2HG1 ILE 8 -4.382 -5.301 3.382 90 HG21 ILE 8 1HG2 ILE 8 -6.611 -8.396 3.235 91 HG22 ILE 8 2HG2 ILE 8 -5.306 -9.572 3.378 92 HG23 ILE 8 3HG2 ILE 8 -5.739 -8.557 4.776 93 HD11 ILE 8 3HD1 ILE 8 -6.300 -5.696 1.757 94 HD12 ILE 8 1HD1 ILE 8 -7.305 -6.230 3.132 95 HD13 ILE 8 2HD1 ILE 8 -6.673 -4.572 3.085 96 H GLN 9 H GLN 9 -1.901 -9.538 5.216 97 HA GLN 9 HA GLN 9 -1.328 -11.337 2.846 98 HB2 GLN 9 1HB GLN 9 0.537 -10.473 4.416 99 HB3 GLN 9 2HB GLN 9 -0.091 -11.580 5.599 100 HG2 GLN 9 1HG GLN 9 0.176 -13.476 3.760 101 HG3 GLN 9 2HG GLN 9 1.020 -12.317 2.780 102 HE21 GLN 9 1HE2 GLN 9 2.945 -11.229 4.168 103 HE22 GLN 9 2HE2 GLN 9 3.898 -12.491 5.114 104 H ARG 10 H ARG 10 -2.191 -13.226 2.591 105 HA ARG 10 HA ARG 10 -3.991 -14.493 4.769 106 HE ARG 10 HE ARG 10 -7.457 -15.162 0.710 107 HB2 ARG 10 1HB ARG 10 -3.965 -14.761 1.703 108 HB3 ARG 10 2HB ARG 10 -5.028 -15.671 2.755 109 HG2 ARG 10 1HG ARG 10 -6.232 -13.668 3.512 110 HG3 ARG 10 2HG ARG 10 -5.030 -12.590 2.850 111 HD2 ARG 10 1HD ARG 10 -6.622 -12.318 1.214 112 HD3 ARG 10 2HD ARG 10 -5.642 -13.539 0.472 113 HH11 ARG 10 2HH1 ARG 10 -8.144 -12.404 2.691 114 HH12 ARG 10 1HH1 ARG 10 -9.898 -12.926 2.935 115 HH21 ARG 10 2HH2 ARG 10 -9.498 -15.689 0.987 116 HH22 ARG 10 1HH2 ARG 10 -10.580 -14.618 1.998 117 H ASP 11 H ASP 11 -1.420 -14.806 5.307 118 HA ASP 11 HA ASP 11 0.513 -16.057 5.392 119 HB2 ASP 11 1HB ASP 11 -1.555 -18.215 5.905 120 HB3 ASP 11 2HB ASP 11 0.139 -18.651 5.798 121 H GLY 12 H GLY 12 1.418 -15.490 3.542 122 HA2 GLY 12 1HA GLY 12 2.744 -16.632 1.619 123 HA3 GLY 12 2HA GLY 12 1.282 -17.462 1.142 124 H GLN 13 H GLN 13 -0.604 -15.882 0.683 125 HA GLN 13 HA GLN 13 0.398 -14.110 -1.525 126 HB2 GLN 13 1HB GLN 13 -1.836 -15.769 -1.330 127 HB3 GLN 13 2HB GLN 13 -2.594 -14.240 -1.006 128 HG2 GLN 13 1HG GLN 13 -0.876 -14.988 -3.475 129 HG3 GLN 13 2HG GLN 13 -2.618 -14.968 -3.433 130 HE21 GLN 13 1HE2 GLN 13 -3.631 -13.001 -3.925 131 HE22 GLN 13 2HE2 GLN 13 -2.641 -11.490 -4.294 132 H GLU 14 H GLU 14 0.608 -11.957 -1.469 133 HA GLU 14 HA GLU 14 -0.080 -10.522 1.160 134 HB2 GLU 14 1HB GLU 14 2.336 -11.598 0.555 135 HB3 GLU 14 2HB GLU 14 2.564 -10.136 -0.362 136 HG2 GLU 14 1HG GLU 14 1.746 -10.123 2.626 137 HG3 GLU 14 2HG GLU 14 3.408 -10.357 2.116 138 H ILE 15 H ILE 15 -1.526 -8.971 0.668 139 HA ILE 15 HA ILE 15 -1.354 -7.525 -2.032 140 HB ILE 15 HB ILE 15 -3.827 -7.882 -0.259 141 HG12 ILE 15 1HG1 ILE 15 -4.522 -9.347 -2.454 142 HG13 ILE 15 2HG1 ILE 15 -2.794 -9.593 -2.588 143 HG21 ILE 15 1HG2 ILE 15 -5.099 -7.097 -2.272 144 HG22 ILE 15 2HG2 ILE 15 -3.946 -5.868 -1.749 145 HG23 ILE 15 3HG2 ILE 15 -3.579 -6.864 -3.172 146 HD11 ILE 15 3HD1 ILE 15 -4.507 -10.273 -0.080 147 HD12 ILE 15 1HD1 ILE 15 -4.001 -11.438 -1.330 148 HD13 ILE 15 2HD1 ILE 15 -2.789 -10.679 -0.289 149 H GLU 16 H GLU 16 -0.159 -5.707 -1.699 150 HA GLU 16 HA GLU 16 -0.483 -3.982 0.698 151 HB2 GLU 16 1HB GLU 16 1.687 -4.482 -0.297 152 HB3 GLU 16 2HB GLU 16 1.283 -3.612 -1.765 153 HG2 GLU 16 1HG GLU 16 1.426 -1.464 -0.703 154 HG3 GLU 16 2HG GLU 16 1.070 -2.085 0.894 155 H ILE 17 H ILE 17 -2.135 -2.691 0.980 156 HA ILE 17 HA ILE 17 -3.453 -1.247 -1.390 157 HB ILE 17 HB ILE 17 -4.534 -1.818 1.404 158 HG12 ILE 17 1HG1 ILE 17 -4.447 -3.918 0.187 159 HG13 ILE 17 2HG1 ILE 17 -6.100 -3.410 0.401 160 HG21 ILE 17 1HG2 ILE 17 -5.618 0.212 0.698 161 HG22 ILE 17 2HG2 ILE 17 -5.958 -0.423 -0.932 162 HG23 ILE 17 3HG2 ILE 17 -6.791 -1.091 0.494 163 HD11 ILE 17 3HD1 ILE 17 -6.140 -2.606 -2.059 164 HD12 ILE 17 1HD1 ILE 17 -4.484 -3.247 -2.240 165 HD13 ILE 17 2HD1 ILE 17 -5.832 -4.345 -1.873 166 H ASP 18 H ASP 18 -2.273 0.530 -1.706 167 HA ASP 18 HA ASP 18 -1.224 2.162 0.590 168 HB2 ASP 18 1HB ASP 18 0.135 1.006 -1.276 169 HB3 ASP 18 2HB ASP 18 -0.476 2.224 -2.390 170 H ILE 19 H ILE 19 -2.729 3.580 1.306 171 HA ILE 19 HA ILE 19 -4.202 5.424 -0.681 172 HB ILE 19 HB ILE 19 -5.261 4.167 1.909 173 HG12 ILE 19 1HG1 ILE 19 -5.144 2.396 0.321 174 HG13 ILE 19 2HG1 ILE 19 -6.805 2.791 0.652 175 HG21 ILE 19 1HG2 ILE 19 -7.537 5.027 1.270 176 HG22 ILE 19 2HG2 ILE 19 -6.398 6.329 1.617 177 HG23 ILE 19 3HG2 ILE 19 -6.811 5.943 -0.072 178 HD11 ILE 19 3HD1 ILE 19 -6.973 3.996 -1.605 179 HD12 ILE 19 1HD1 ILE 19 -5.260 3.610 -1.921 180 HD13 ILE 19 2HD1 ILE 19 -6.455 2.304 -1.789 181 H ARG 20 H ARG 20 -4.648 7.612 0.031 182 HA ARG 20 HA ARG 20 -3.176 8.539 2.524 183 HE ARG 20 HE ARG 20 -0.341 7.948 -2.545 184 HB2 ARG 20 1HB ARG 20 -2.591 10.711 0.845 185 HB3 ARG 20 2HB ARG 20 -1.516 9.609 1.617 186 HG2 ARG 20 1HG ARG 20 -2.521 9.289 -1.281 187 HG3 ARG 20 2HG ARG 20 -1.011 10.051 -0.761 188 HD2 ARG 20 1HD ARG 20 -0.493 7.814 0.491 189 HD3 ARG 20 2HD ARG 20 -1.751 7.087 -0.466 190 HH11 ARG 20 2HH1 ARG 20 1.104 6.522 0.399 191 HH12 ARG 20 1HH1 ARG 20 1.604 5.075 -0.635 192 HH21 ARG 20 2HH2 ARG 20 0.435 6.268 -3.559 193 HH22 ARG 20 1HH2 ARG 20 1.331 4.998 -2.557 194 H VAL 21 H VAL 21 -3.908 10.305 3.550 195 HA VAL 21 HA VAL 21 -6.599 11.490 2.727 196 HB VAL 21 HB VAL 21 -7.694 10.710 4.872 197 HG11 VAL 21 1HG1 VAL 21 -8.350 9.797 2.631 198 HG12 VAL 21 2HG1 VAL 21 -7.194 8.466 2.835 199 HG13 VAL 21 3HG1 VAL 21 -8.580 8.624 3.941 200 HG21 VAL 21 3HG2 VAL 21 -7.015 8.506 5.888 201 HG22 VAL 21 1HG2 VAL 21 -5.514 8.524 4.946 202 HG23 VAL 21 2HG2 VAL 21 -5.812 9.771 6.178 203 H SER 22 H SER 22 -5.165 13.316 2.745 204 HA SER 22 HA SER 22 -3.894 14.199 5.247 205 HG SER 22 HG SER 22 -3.485 16.835 4.426 206 HB2 SER 22 1HB SER 22 -2.988 14.487 2.886 207 HB3 SER 22 2HB SER 22 -4.272 15.650 2.543 208 H THR 23 H THR 23 -6.537 14.172 5.931 209 HA THR 23 HA THR 23 -7.413 16.959 6.606 210 HB THR 23 HB THR 23 -7.670 17.107 4.197 211 HG1 THR 23 HG1 THR 23 -10.273 16.547 5.097 212 HG21 THR 23 3HG2 THR 23 -9.190 15.603 2.861 213 HG22 THR 23 1HG2 THR 23 -7.789 14.720 3.501 214 HG23 THR 23 2HG2 THR 23 -9.356 14.535 4.296 215 H GLY 24 H GLY 24 -9.442 17.089 7.572 216 HA2 GLY 24 1HA GLY 24 -10.259 14.855 9.332 217 HA3 GLY 24 2HA GLY 24 -11.112 16.377 9.171 218 H LYS 25 H LYS 25 -11.850 13.463 9.191 219 HA LYS 25 HA LYS 25 -13.533 12.130 8.471 220 HB2 LYS 25 1HB LYS 25 -14.788 14.665 7.365 221 HB3 LYS 25 2HB LYS 25 -15.573 13.099 7.232 222 HG2 LYS 25 1HG LYS 25 -15.313 12.780 9.770 223 HG3 LYS 25 2HG LYS 25 -14.735 14.433 9.883 224 HD2 LYS 25 1HD LYS 25 -16.892 15.291 8.953 225 HD3 LYS 25 2HD LYS 25 -17.493 13.665 8.677 226 HE2 LYS 25 1HE LYS 25 -16.692 14.700 11.496 227 HE3 LYS 25 2HE LYS 25 -18.306 14.940 10.842 228 HZ1 LYS 25 3HZ LYS 25 -17.587 12.644 12.202 229 HZ2 LYS 25 1HZ LYS 25 -18.803 12.632 11.069 230 HZ3 LYS 25 2HZ LYS 25 -17.297 12.108 10.733 231 H GLU 26 H GLU 26 -11.739 13.293 5.802 232 HA GLU 26 HA GLU 26 -12.441 10.910 4.124 233 HB2 GLU 26 1HB GLU 26 -9.702 12.290 4.185 234 HB3 GLU 26 2HB GLU 26 -10.260 11.108 3.020 235 HG2 GLU 26 1HG GLU 26 -11.464 13.914 3.346 236 HG3 GLU 26 2HG GLU 26 -10.343 13.426 2.079 237 H LEU 27 H LEU 27 -9.923 11.459 6.602 238 HA LEU 27 HA LEU 27 -8.983 8.728 6.877 239 HG LEU 27 HG LEU 27 -8.678 8.911 10.154 240 HB2 LEU 27 1HB LEU 27 -7.856 10.743 7.813 241 HB3 LEU 27 2HB LEU 27 -9.206 11.033 8.891 242 HD11 LEU 27 1HD1 LEU 27 -6.479 7.786 9.849 243 HD12 LEU 27 2HD1 LEU 27 -7.411 7.636 8.353 244 HD13 LEU 27 3HD1 LEU 27 -6.084 8.821 8.460 245 HD21 LEU 27 3HD2 LEU 27 -6.733 9.872 11.345 246 HD22 LEU 27 1HD2 LEU 27 -6.319 10.903 9.952 247 HD23 LEU 27 2HD2 LEU 27 -7.817 11.188 10.870 248 H GLU 28 H GLU 28 -11.733 10.233 8.598 249 HA GLU 28 HA GLU 28 -12.635 7.870 10.083 250 HB2 GLU 28 1HB GLU 28 -13.333 10.309 10.451 251 HB3 GLU 28 2HB GLU 28 -14.293 10.207 8.974 252 HG2 GLU 28 1HG GLU 28 -15.731 8.400 10.082 253 HG3 GLU 28 2HG GLU 28 -14.818 8.631 11.578 254 H ARG 29 H ARG 29 -13.860 9.070 6.884 255 HA ARG 29 HA ARG 29 -15.525 6.706 6.348 256 HE ARG 29 HE ARG 29 -16.987 11.901 4.268 257 HB2 ARG 29 1HB ARG 29 -14.355 8.850 4.475 258 HB3 ARG 29 2HB ARG 29 -15.415 7.562 3.908 259 HG2 ARG 29 1HG ARG 29 -17.166 8.286 5.631 260 HG3 ARG 29 2HG ARG 29 -16.191 9.690 6.010 261 HD2 ARG 29 1HD ARG 29 -17.151 9.117 3.094 262 HD3 ARG 29 2HD ARG 29 -18.186 9.844 4.288 263 HH11 ARG 29 2HH1 ARG 29 -15.057 9.619 2.401 264 HH12 ARG 29 1HH1 ARG 29 -13.922 10.998 1.913 265 HH21 ARG 29 2HH2 ARG 29 -15.775 13.322 3.610 266 HH22 ARG 29 1HH2 ARG 29 -14.401 12.974 2.435 267 H ALA 30 H ALA 30 -12.158 7.331 5.233 268 HA ALA 30 HA ALA 30 -11.787 4.717 3.921 269 HB1 ALA 30 3HB ALA 30 -9.702 6.580 5.242 270 HB2 ALA 30 1HB ALA 30 -9.351 5.239 4.123 271 HB3 ALA 30 2HB ALA 30 -10.255 6.657 3.552 272 H LEU 31 H LEU 31 -11.021 5.656 7.357 273 HA LEU 31 HA LEU 31 -10.282 2.975 8.264 274 HG LEU 31 HG LEU 31 -10.277 2.621 10.653 275 HB2 LEU 31 1HB LEU 31 -9.835 5.113 9.427 276 HB3 LEU 31 2HB LEU 31 -11.514 5.289 9.848 277 HD11 LEU 31 1HD1 LEU 31 -9.310 5.211 12.009 278 HD12 LEU 31 2HD1 LEU 31 -9.011 3.543 12.579 279 HD13 LEU 31 3HD1 LEU 31 -8.326 4.089 11.036 280 HD21 LEU 31 3HD2 LEU 31 -12.581 3.236 11.403 281 HD22 LEU 31 1HD2 LEU 31 -11.503 3.082 12.801 282 HD23 LEU 31 2HD2 LEU 31 -11.965 4.698 12.211 283 H GLN 32 H GLN 32 -13.599 4.474 8.267 284 HA GLN 32 HA GLN 32 -15.030 2.173 9.319 285 HB2 GLN 32 1HB GLN 32 -15.860 4.459 7.451 286 HB3 GLN 32 2HB GLN 32 -16.998 3.287 8.056 287 HG2 GLN 32 1HG GLN 32 -16.695 3.952 10.382 288 HG3 GLN 32 2HG GLN 32 -15.321 4.980 10.000 289 HE21 GLN 32 1HE2 GLN 32 -17.390 5.989 11.401 290 HE22 GLN 32 2HE2 GLN 32 -18.209 7.251 10.340 291 H GLU 33 H GLU 33 -14.502 2.972 5.812 292 HA GLU 33 HA GLU 33 -15.689 0.369 4.984 293 HB2 GLU 33 1HB GLU 33 -15.808 2.395 3.544 294 HB3 GLU 33 2HB GLU 33 -14.077 2.298 3.252 295 HG2 GLU 33 1HG GLU 33 -15.357 1.325 1.350 296 HG3 GLU 33 2HG GLU 33 -14.377 0.079 2.088 297 H LEU 34 H LEU 34 -12.259 1.353 5.492 298 HA LEU 34 HA LEU 34 -11.114 -1.247 4.670 299 HG LEU 34 HG LEU 34 -10.139 1.486 4.105 300 HB2 LEU 34 1HB LEU 34 -10.098 0.859 6.647 301 HB3 LEU 34 2HB LEU 34 -9.157 -0.546 6.208 302 HD11 LEU 34 1HD1 LEU 34 -8.683 2.655 5.744 303 HD12 LEU 34 2HD1 LEU 34 -7.429 1.411 5.574 304 HD13 LEU 34 3HD1 LEU 34 -7.837 2.468 4.197 305 HD21 LEU 34 3HD2 LEU 34 -8.338 0.515 2.668 306 HD22 LEU 34 1HD2 LEU 34 -7.925 -0.671 3.932 307 HD23 LEU 34 2HD2 LEU 34 -9.511 -0.730 3.118 308 H GLU 35 H GLU 35 -12.305 -0.215 7.896 309 HA GLU 35 HA GLU 35 -12.038 -2.741 9.322 310 HB2 GLU 35 1HB GLU 35 -12.789 -0.386 10.170 311 HB3 GLU 35 2HB GLU 35 -14.356 -0.704 9.491 312 HG2 GLU 35 1HG GLU 35 -14.607 -2.717 11.024 313 HG3 GLU 35 2HG GLU 35 -12.996 -2.407 11.686 314 H LYS 36 H LYS 36 -14.821 -1.625 7.383 315 HA LYS 36 HA LYS 36 -16.348 -4.126 7.320 316 HB2 LYS 36 1HB LYS 36 -17.132 -1.768 6.794 317 HB3 LYS 36 2HB LYS 36 -16.254 -1.805 5.286 318 HG2 LYS 36 1HG LYS 36 -18.627 -3.664 5.991 319 HG3 LYS 36 2HG LYS 36 -18.732 -2.123 5.168 320 HD2 LYS 36 1HD LYS 36 -16.876 -3.348 3.488 321 HD3 LYS 36 2HD LYS 36 -17.657 -4.769 4.133 322 HE2 LYS 36 1HE LYS 36 -18.885 -4.310 2.139 323 HE3 LYS 36 2HE LYS 36 -19.961 -3.708 3.399 324 HZ1 LYS 36 3HZ LYS 36 -19.542 -1.967 1.532 325 HZ2 LYS 36 1HZ LYS 36 -18.966 -1.392 2.976 326 HZ3 LYS 36 2HZ LYS 36 -17.930 -1.916 1.961 327 H ALA 37 H ALA 37 -13.999 -2.911 4.832 328 HA ALA 37 HA ALA 37 -14.109 -5.259 3.119 329 HB1 ALA 37 3HB ALA 37 -12.035 -4.305 2.103 330 HB2 ALA 37 1HB ALA 37 -13.231 -3.029 2.419 331 HB3 ALA 37 2HB ALA 37 -11.827 -3.217 3.495 332 H LEU 38 H LEU 38 -11.779 -4.676 5.826 333 HA LEU 38 HA LEU 38 -10.460 -7.315 5.529 334 HG LEU 38 HG LEU 38 -8.099 -5.461 7.777 335 HB2 LEU 38 1HB LEU 38 -10.532 -5.228 7.769 336 HB3 LEU 38 2HB LEU 38 -9.994 -6.830 8.160 337 HD11 LEU 38 1HD1 LEU 38 -8.233 -7.426 5.401 338 HD12 LEU 38 2HD1 LEU 38 -6.794 -6.875 6.272 339 HD13 LEU 38 3HD1 LEU 38 -7.975 -7.909 7.096 340 HD21 LEU 38 3HD2 LEU 38 -7.449 -4.460 5.594 341 HD22 LEU 38 1HD2 LEU 38 -9.001 -4.949 4.875 342 HD23 LEU 38 2HD2 LEU 38 -8.959 -3.751 6.191 343 H ALA 39 H ALA 39 -13.214 -6.360 7.640 344 HA ALA 39 HA ALA 39 -13.828 -9.043 8.666 345 HB1 ALA 39 3HB ALA 39 -16.052 -8.037 9.177 346 HB2 ALA 39 1HB ALA 39 -14.761 -6.886 9.580 347 HB3 ALA 39 2HB ALA 39 -15.718 -6.661 8.100 348 H ARG 40 H ARG 40 -15.056 -7.457 5.684 349 HA ARG 40 HA ARG 40 -16.575 -9.748 4.650 350 HE ARG 40 HE ARG 40 -18.082 -8.846 -0.095 351 HB2 ARG 40 1HB ARG 40 -16.684 -7.295 3.891 352 HB3 ARG 40 2HB ARG 40 -15.121 -7.501 3.119 353 HG2 ARG 40 1HG ARG 40 -16.218 -9.378 1.660 354 HG3 ARG 40 2HG ARG 40 -17.763 -8.926 2.384 355 HD2 ARG 40 1HD ARG 40 -17.384 -6.517 1.509 356 HD3 ARG 40 2HD ARG 40 -15.883 -7.082 0.741 357 HH11 ARG 40 2HH1 ARG 40 -16.905 -5.626 -0.695 358 HH12 ARG 40 1HH1 ARG 40 -17.748 -5.539 -2.316 359 HH21 ARG 40 2HH2 ARG 40 -19.031 -8.710 -1.944 360 HH22 ARG 40 1HH2 ARG 40 -18.889 -7.212 -2.966 361 H ALA 41 H ALA 41 -13.181 -8.855 3.995 362 HA ALA 41 HA ALA 41 -12.701 -11.156 2.186 363 HB1 ALA 41 3HB ALA 41 -10.710 -9.224 3.555 364 HB2 ALA 41 1HB ALA 41 -10.334 -10.314 2.197 365 HB3 ALA 41 2HB ALA 41 -11.488 -8.989 1.973 366 H GLY 42 H GLY 42 -11.860 -10.734 5.669 367 HA2 GLY 42 1HA GLY 42 -11.281 -12.464 7.282 368 HA3 GLY 42 2HA GLY 42 -11.687 -13.667 6.082 369 H ALA 43 H ALA 43 -9.109 -11.356 6.899 370 HA ALA 43 HA ALA 43 -7.024 -13.163 5.595 371 HB1 ALA 43 3HB ALA 43 -6.952 -10.207 6.461 372 HB2 ALA 43 1HB ALA 43 -5.618 -11.063 5.650 373 HB3 ALA 43 2HB ALA 43 -7.168 -10.820 4.811 374 H ARG 44 H ARG 44 -5.177 -13.856 6.587 375 HA ARG 44 HA ARG 44 -5.519 -14.242 9.573 376 HE ARG 44 HE ARG 44 -2.617 -18.168 8.674 377 HB2 ARG 44 1HB ARG 44 -5.504 -16.159 7.795 378 HB3 ARG 44 2HB ARG 44 -3.756 -15.980 7.769 379 HG2 ARG 44 1HG ARG 44 -3.678 -16.517 10.260 380 HG3 ARG 44 2HG ARG 44 -5.420 -16.447 10.343 381 HD2 ARG 44 1HD ARG 44 -4.978 -18.746 10.344 382 HD3 ARG 44 2HD ARG 44 -5.575 -18.422 8.705 383 HH11 ARG 44 2HH1 ARG 44 -5.020 -20.688 8.960 384 HH12 ARG 44 1HH1 ARG 44 -3.829 -21.946 8.362 385 HH21 ARG 44 2HH2 ARG 44 -1.409 -19.502 8.037 386 HH22 ARG 44 1HH2 ARG 44 -1.820 -21.286 7.823 387 H ASN 45 H ASN 45 -3.081 -12.647 7.597 388 HA ASN 45 HA ASN 45 -2.071 -11.685 10.254 389 HB2 ASN 45 1HB ASN 45 0.246 -11.740 9.919 390 HB3 ASN 45 2HB ASN 45 -0.392 -13.349 9.844 391 HD21 ASN 45 1HD2 ASN 45 -0.330 -14.445 7.779 392 HD22 ASN 45 2HD2 ASN 45 0.999 -13.915 6.619 393 H VAL 46 H VAL 46 -2.664 -9.700 10.248 394 HA VAL 46 HA VAL 46 -2.911 -8.154 7.598 395 HB VAL 46 HB VAL 46 -4.532 -7.993 10.188 396 HG11 VAL 46 1HG1 VAL 46 -6.078 -6.414 8.975 397 HG12 VAL 46 2HG1 VAL 46 -4.477 -5.713 9.206 398 HG13 VAL 46 3HG1 VAL 46 -4.934 -6.335 7.607 399 HG21 VAL 46 3HG2 VAL 46 -6.445 -8.834 8.812 400 HG22 VAL 46 1HG2 VAL 46 -5.382 -8.931 7.379 401 HG23 VAL 46 2HG2 VAL 46 -5.117 -10.001 8.775 402 H GLN 47 H GLN 47 -1.319 -6.727 7.321 403 HA GLN 47 HA GLN 47 0.052 -5.379 9.699 404 HB2 GLN 47 1HB GLN 47 0.785 -5.703 6.754 405 HB3 GLN 47 2HB GLN 47 1.771 -4.807 7.889 406 HG2 GLN 47 1HG GLN 47 2.368 -6.825 9.137 407 HG3 GLN 47 2HG GLN 47 1.112 -7.773 8.356 408 HE21 GLN 47 1HE2 GLN 47 2.336 -9.325 7.363 409 HE22 GLN 47 2HE2 GLN 47 3.668 -8.929 6.158 410 H ILE 48 H ILE 48 -1.247 -3.665 10.249 411 HA ILE 48 HA ILE 48 -2.261 -1.717 8.131 412 HB ILE 48 HB ILE 48 -2.699 -1.789 11.160 413 HG12 ILE 48 1HG1 ILE 48 -4.804 -2.274 8.950 414 HG13 ILE 48 2HG1 ILE 48 -3.878 -3.576 9.665 415 HG21 ILE 48 1HG2 ILE 48 -4.440 0.043 10.761 416 HG22 ILE 48 2HG2 ILE 48 -2.801 0.585 10.429 417 HG23 ILE 48 3HG2 ILE 48 -3.879 0.187 9.076 418 HD11 ILE 48 3HD1 ILE 48 -5.841 -1.771 11.199 419 HD12 ILE 48 1HD1 ILE 48 -6.007 -3.498 10.830 420 HD13 ILE 48 2HD1 ILE 48 -4.761 -2.958 11.979 421 H THR 49 H THR 49 -0.756 -0.288 7.405 422 HA THR 49 HA THR 49 1.293 0.879 9.338 423 HB THR 49 HB THR 49 1.340 1.525 6.356 424 HG1 THR 49 HG1 THR 49 1.316 -0.568 6.212 425 HG21 THR 49 3HG2 THR 49 3.816 1.641 6.726 426 HG22 THR 49 1HG2 THR 49 2.939 2.774 7.773 427 HG23 THR 49 2HG2 THR 49 3.580 1.266 8.453 428 H ILE 50 H ILE 50 0.729 2.788 10.248 429 HA ILE 50 HA ILE 50 -0.673 4.891 8.471 430 HB ILE 50 HB ILE 50 -0.738 4.756 11.519 431 HG12 ILE 50 1HG1 ILE 50 -2.049 2.853 10.797 432 HG13 ILE 50 2HG1 ILE 50 -3.042 4.077 11.553 433 HG21 ILE 50 1HG2 ILE 50 -2.499 6.489 11.396 434 HG22 ILE 50 2HG2 ILE 50 -1.013 7.068 10.624 435 HG23 ILE 50 3HG2 ILE 50 -2.390 6.555 9.630 436 HD11 ILE 50 3HD1 ILE 50 -4.010 4.730 9.346 437 HD12 ILE 50 1HD1 ILE 50 -2.940 3.564 8.511 438 HD13 ILE 50 2HD1 ILE 50 -4.196 2.988 9.625 439 H SER 51 H SER 51 0.925 6.178 7.676 440 HA SER 51 HA SER 51 3.252 7.166 9.317 441 HG SER 51 HG SER 51 2.950 9.824 7.282 442 HB2 SER 51 1HB SER 51 3.578 7.078 6.933 443 HB3 SER 51 2HB SER 51 2.088 7.951 6.594 444 H ALA 52 H ALA 52 2.947 8.545 10.946 445 HA ALA 52 HA ALA 52 0.602 10.426 11.071 446 HB1 ALA 52 3HB ALA 52 2.931 9.926 13.044 447 HB2 ALA 52 1HB ALA 52 1.417 10.787 13.385 448 HB3 ALA 52 2HB ALA 52 1.380 9.049 13.032 449 H GLU 53 H GLU 53 0.628 12.616 10.887 450 HA GLU 53 HA GLU 53 3.053 14.052 9.941 451 HB2 GLU 53 1HB GLU 53 0.220 15.080 10.580 452 HB3 GLU 53 2HB GLU 53 1.518 16.100 9.992 453 HG2 GLU 53 1HG GLU 53 1.822 14.452 8.015 454 HG3 GLU 53 2HG GLU 53 0.348 13.667 8.515 455 H ASN 54 H ASN 54 2.051 13.475 13.117 456 HA ASN 54 HA ASN 54 4.518 14.829 14.085 457 HB2 ASN 54 1HB ASN 54 1.753 15.854 14.996 458 HB3 ASN 54 2HB ASN 54 2.948 15.659 16.236 459 HD21 ASN 54 1HD2 ASN 54 3.117 17.058 12.934 460 HD22 ASN 54 2HD2 ASN 54 3.810 18.612 13.606 461 H ASP 55 H ASP 55 4.982 14.205 16.445 462 HA ASP 55 HA ASP 55 4.583 11.296 16.863 463 HB2 ASP 55 1HB ASP 55 6.004 11.532 18.788 464 HB3 ASP 55 2HB ASP 55 6.719 12.365 17.431 465 H GLU 56 H GLU 56 3.301 14.166 18.633 466 HA GLU 56 HA GLU 56 1.326 12.789 20.237 467 HB2 GLU 56 1HB GLU 56 1.025 15.545 18.890 468 HB3 GLU 56 2HB GLU 56 -0.058 14.906 20.115 469 HG2 GLU 56 1HG GLU 56 1.909 14.760 21.762 470 HG3 GLU 56 2HG GLU 56 2.934 15.543 20.560 471 H GLN 57 H GLN 57 0.969 13.650 16.825 472 HA GLN 57 HA GLN 57 -1.729 12.436 16.406 473 HB2 GLN 57 1HB GLN 57 0.566 12.881 14.411 474 HB3 GLN 57 2HB GLN 57 -0.984 12.233 13.957 475 HG2 GLN 57 1HG GLN 57 -0.638 15.050 15.184 476 HG3 GLN 57 2HG GLN 57 -0.629 14.706 13.470 477 HE21 GLN 57 1HE2 GLN 57 -2.701 15.264 16.138 478 HE22 GLN 57 2HE2 GLN 57 -4.232 15.017 15.137 479 H ALA 58 H ALA 58 1.610 11.047 16.035 480 HA ALA 58 HA ALA 58 0.791 8.320 15.455 481 HB1 ALA 58 3HB ALA 58 3.066 7.678 16.170 482 HB2 ALA 58 1HB ALA 58 3.164 9.204 15.277 483 HB3 ALA 58 2HB ALA 58 3.283 9.198 17.050 484 H LYS 59 H LYS 59 1.122 9.791 18.703 485 HA LYS 59 HA LYS 59 0.273 7.429 20.243 486 HB2 LYS 59 1HB LYS 59 1.343 9.499 21.157 487 HB3 LYS 59 2HB LYS 59 -0.112 10.424 20.886 488 HG2 LYS 59 1HG LYS 59 0.000 7.933 22.729 489 HG3 LYS 59 2HG LYS 59 0.446 9.523 23.274 490 HD2 LYS 59 1HD LYS 59 -1.681 10.079 23.769 491 HD3 LYS 59 2HD LYS 59 -2.165 9.932 22.098 492 HE2 LYS 59 1HE LYS 59 -2.537 7.406 22.445 493 HE3 LYS 59 2HE LYS 59 -2.119 7.591 24.148 494 HZ1 LYS 59 3HZ LYS 59 -4.348 9.192 22.803 495 HZ2 LYS 59 1HZ LYS 59 -4.620 7.750 23.662 496 HZ3 LYS 59 2HZ LYS 59 -4.054 9.119 24.416 497 H GLU 60 H GLU 60 -1.844 10.111 19.034 498 HA GLU 60 HA GLU 60 -4.358 8.720 19.757 499 HB2 GLU 60 1HB GLU 60 -3.859 11.044 17.804 500 HB3 GLU 60 2HB GLU 60 -5.455 10.463 18.239 501 HG2 GLU 60 1HG GLU 60 -3.443 11.678 20.249 502 HG3 GLU 60 2HG GLU 60 -4.821 12.505 19.540 503 H LEU 61 H LEU 61 -2.627 8.877 16.632 504 HA LEU 61 HA LEU 61 -4.470 7.104 15.161 505 HG LEU 61 HG LEU 61 -3.257 9.659 14.363 506 HB2 LEU 61 1HB LEU 61 -1.505 7.722 14.703 507 HB3 LEU 61 2HB LEU 61 -2.467 6.780 13.599 508 HD11 LEU 61 1HD1 LEU 61 -0.992 9.748 13.395 509 HD12 LEU 61 2HD1 LEU 61 -1.496 8.803 11.981 510 HD13 LEU 61 3HD1 LEU 61 -2.166 10.429 12.257 511 HD21 LEU 61 3HD2 LEU 61 -4.587 9.643 12.284 512 HD22 LEU 61 1HD2 LEU 61 -4.067 7.994 11.879 513 HD23 LEU 61 2HD2 LEU 61 -5.097 8.283 13.293 514 H LEU 62 H LEU 62 -1.572 6.227 17.130 515 HA LEU 62 HA LEU 62 -1.796 3.328 16.894 516 HG LEU 62 HG LEU 62 -1.285 2.854 20.129 517 HB2 LEU 62 1HB LEU 62 0.124 4.480 17.921 518 HB3 LEU 62 2HB LEU 62 -0.883 5.159 19.173 519 HD11 LEU 62 1HD1 LEU 62 -0.836 1.432 18.096 520 HD12 LEU 62 2HD1 LEU 62 0.870 1.957 18.097 521 HD13 LEU 62 3HD1 LEU 62 0.231 0.968 19.431 522 HD21 LEU 62 3HD2 LEU 62 1.659 3.770 19.873 523 HD22 LEU 62 1HD2 LEU 62 0.475 4.327 21.080 524 HD23 LEU 62 2HD2 LEU 62 1.040 2.646 21.108 525 H GLU 63 H GLU 63 -3.533 5.433 19.266 526 HA GLU 63 HA GLU 63 -5.277 3.204 20.183 527 HB2 GLU 63 1HB GLU 63 -5.545 6.229 20.558 528 HB3 GLU 63 2HB GLU 63 -6.853 5.139 20.959 529 HG2 GLU 63 1HG GLU 63 -5.050 3.767 22.387 530 HG3 GLU 63 2HG GLU 63 -4.075 5.218 22.255 531 H LEU 64 H LEU 64 -5.925 5.681 17.609 532 HA LEU 64 HA LEU 64 -8.508 4.556 16.837 533 HG LEU 64 HG LEU 64 -7.675 7.329 16.940 534 HB2 LEU 64 1HB LEU 64 -6.400 5.936 15.097 535 HB3 LEU 64 2HB LEU 64 -7.976 5.509 14.495 536 HD11 LEU 64 1HD1 LEU 64 -8.062 9.261 15.362 537 HD12 LEU 64 2HD1 LEU 64 -6.514 8.456 15.093 538 HD13 LEU 64 3HD1 LEU 64 -7.874 8.161 13.972 539 HD21 LEU 64 3HD2 LEU 64 -10.041 6.846 14.996 540 HD22 LEU 64 1HD2 LEU 64 -9.960 6.347 16.703 541 HD23 LEU 64 2HD2 LEU 64 -10.012 8.066 16.292 542 H ILE 65 H ILE 65 -5.306 3.339 15.806 543 HA ILE 65 HA ILE 65 -6.546 1.030 14.338 544 HB ILE 65 HB ILE 65 -3.713 0.917 15.432 545 HG12 ILE 65 1HG1 ILE 65 -4.225 1.923 12.567 546 HG13 ILE 65 2HG1 ILE 65 -4.066 3.038 13.895 547 HG21 ILE 65 1HG2 ILE 65 -3.390 -0.685 13.465 548 HG22 ILE 65 2HG2 ILE 65 -4.682 -1.228 14.541 549 HG23 ILE 65 3HG2 ILE 65 -5.091 -0.445 13.010 550 HD11 ILE 65 3HD1 ILE 65 -1.822 1.854 14.541 551 HD12 ILE 65 1HD1 ILE 65 -1.886 1.115 12.918 552 HD13 ILE 65 2HD1 ILE 65 -1.813 2.881 13.114 553 H ALA 66 H ALA 66 -4.899 1.224 17.605 554 HA ALA 66 HA ALA 66 -5.461 -1.517 18.365 555 HB1 ALA 66 3HB ALA 66 -3.764 -0.056 19.476 556 HB2 ALA 66 1HB ALA 66 -5.055 0.923 20.209 557 HB3 ALA 66 2HB ALA 66 -4.863 -0.785 20.663 558 H ARG 67 H ARG 67 -7.555 1.364 18.986 559 HA ARG 67 HA ARG 67 -9.680 -0.230 20.340 560 HE ARG 67 HE ARG 67 -8.135 3.378 23.275 561 HB2 ARG 67 1HB ARG 67 -9.967 2.532 19.049 562 HB3 ARG 67 2HB ARG 67 -11.118 1.762 20.122 563 HG2 ARG 67 1HG ARG 67 -8.314 2.791 20.870 564 HG3 ARG 67 2HG ARG 67 -9.843 3.528 21.292 565 HD2 ARG 67 1HD ARG 67 -10.430 1.592 22.780 566 HD3 ARG 67 2HD ARG 67 -8.963 0.723 22.270 567 HH11 ARG 67 2HH1 ARG 67 -9.239 0.271 24.492 568 HH12 ARG 67 1HH1 ARG 67 -8.470 0.638 26.118 569 HH21 ARG 67 2HH2 ARG 67 -7.256 3.656 24.954 570 HH22 ARG 67 1HH2 ARG 67 -7.380 2.486 26.390 571 H LEU 68 H LEU 68 -9.171 0.603 16.887 572 HA LEU 68 HA LEU 68 -11.608 -0.709 15.811 573 HG LEU 68 HG LEU 68 -11.431 -1.477 13.485 574 HB2 LEU 68 1HB LEU 68 -10.164 0.776 14.532 575 HB3 LEU 68 2HB LEU 68 -8.820 -0.337 14.581 576 HD11 LEU 68 1HD1 LEU 68 -11.544 0.674 12.447 577 HD12 LEU 68 2HD1 LEU 68 -9.801 0.676 12.032 578 HD13 LEU 68 3HD1 LEU 68 -10.925 -0.452 11.225 579 HD21 LEU 68 3HD2 LEU 68 -9.353 -2.907 13.497 580 HD22 LEU 68 1HD2 LEU 68 -9.901 -2.582 11.849 581 HD23 LEU 68 2HD2 LEU 68 -8.499 -1.700 12.505 582 H LEU 69 H LEU 69 -8.324 -1.997 16.372 583 HA LEU 69 HA LEU 69 -8.866 -4.807 15.804 584 HG LEU 69 HG LEU 69 -6.563 -2.726 15.241 585 HB2 LEU 69 1HB LEU 69 -6.749 -3.581 17.655 586 HB3 LEU 69 2HB LEU 69 -6.728 -5.223 17.054 587 HD11 LEU 69 1HD1 LEU 69 -4.387 -4.519 16.438 588 HD12 LEU 69 2HD1 LEU 69 -4.133 -3.534 14.975 589 HD13 LEU 69 3HD1 LEU 69 -4.561 -2.763 16.515 590 HD21 LEU 69 3HD2 LEU 69 -7.527 -4.396 13.874 591 HD22 LEU 69 1HD2 LEU 69 -5.799 -4.472 13.497 592 HD23 LEU 69 2HD2 LEU 69 -6.548 -5.691 14.566 593 H GLN 70 H GLN 70 -8.878 -3.182 19.001 594 HA GLN 70 HA GLN 70 -9.994 -5.433 20.548 595 HB2 GLN 70 1HB GLN 70 -8.737 -3.395 21.407 596 HB3 GLN 70 2HB GLN 70 -10.129 -2.389 21.039 597 HG2 GLN 70 1HG GLN 70 -11.496 -3.682 22.744 598 HG3 GLN 70 2HG GLN 70 -10.133 -4.769 22.997 599 HE21 GLN 70 1HE2 GLN 70 -9.441 -4.301 25.012 600 HE22 GLN 70 2HE2 GLN 70 -9.141 -2.605 25.658 601 H LYS 71 H LYS 71 -11.719 -2.714 18.885 602 HA LYS 71 HA LYS 71 -14.446 -3.569 19.487 603 HB2 LYS 71 1HB LYS 71 -13.834 -1.351 18.717 604 HB3 LYS 71 2HB LYS 71 -13.217 -1.925 17.193 605 HG2 LYS 71 1HG LYS 71 -16.196 -2.277 17.915 606 HG3 LYS 71 2HG LYS 71 -15.561 -0.728 17.386 607 HD2 LYS 71 1HD LYS 71 -14.603 -1.923 15.261 608 HD3 LYS 71 2HD LYS 71 -15.454 -3.342 15.755 609 HE2 LYS 71 1HE LYS 71 -17.051 -2.464 14.303 610 HE3 LYS 71 2HE LYS 71 -17.657 -1.799 15.820 611 HZ1 LYS 71 3HZ LYS 71 -15.911 0.164 15.085 612 HZ2 LYS 71 1HZ LYS 71 -16.142 -0.460 13.598 613 HZ3 LYS 71 2HZ LYS 71 -17.444 0.159 14.417 614 H LEU 72 H LEU 72 -12.511 -4.455 16.565 615 HA LEU 72 HA LEU 72 -14.414 -6.556 15.666 616 HG LEU 72 HG LEU 72 -12.159 -6.094 12.700 617 HB2 LEU 72 1HB LEU 72 -11.568 -5.728 14.983 618 HB3 LEU 72 2HB LEU 72 -11.884 -7.403 14.737 619 HD11 LEU 72 1HD1 LEU 72 -14.246 -7.141 11.883 620 HD12 LEU 72 2HD1 LEU 72 -13.389 -8.273 12.948 621 HD13 LEU 72 3HD1 LEU 72 -14.825 -7.407 13.541 622 HD21 LEU 72 3HD2 LEU 72 -13.115 -3.964 13.634 623 HD22 LEU 72 1HD2 LEU 72 -14.085 -4.609 12.286 624 HD23 LEU 72 2HD2 LEU 72 -14.656 -4.793 13.956 625 H GLY 73 H GLY 73 -11.757 -6.713 17.967 626 HA2 GLY 73 1HA GLY 73 -11.590 -8.399 19.766 627 HA3 GLY 73 2HA GLY 73 -12.690 -9.460 18.915 628 H TYR 74 H TYR 74 -9.629 -7.952 17.800 629 HA TYR 74 HA TYR 74 -8.563 -10.575 16.836 630 HD1 TYR 74 HD1 TYR 74 -6.771 -10.373 14.355 631 HD2 TYR 74 HD2 TYR 74 -9.183 -6.966 15.380 632 HE1 TYR 74 HE1 TYR 74 -7.468 -10.136 11.997 633 HE2 TYR 74 HE2 TYR 74 -9.845 -6.733 13.020 634 HH TYR 74 HH TYR 74 -9.703 -7.586 10.975 635 HB2 TYR 74 1HB TYR 74 -7.347 -7.745 16.938 636 HB3 TYR 74 2HB TYR 74 -6.384 -9.112 16.481 637 H LYS 75 H LYS 75 -6.881 -11.758 17.600 638 HA LYS 75 HA LYS 75 -6.359 -11.570 20.609 639 HB2 LYS 75 1HB LYS 75 -5.846 -13.926 18.714 640 HB3 LYS 75 2HB LYS 75 -5.609 -13.938 20.435 641 HG2 LYS 75 1HG LYS 75 -8.349 -13.646 19.025 642 HG3 LYS 75 2HG LYS 75 -7.659 -15.112 19.672 643 HD2 LYS 75 1HD LYS 75 -9.012 -14.631 21.467 644 HD3 LYS 75 2HD LYS 75 -7.560 -13.847 22.005 645 HE2 LYS 75 1HE LYS 75 -9.339 -12.326 22.508 646 HE3 LYS 75 2HE LYS 75 -8.505 -11.573 21.163 647 HZ1 LYS 75 3HZ LYS 75 -11.189 -12.015 21.148 648 HZ2 LYS 75 1HZ LYS 75 -10.341 -11.929 19.748 649 HZ3 LYS 75 2HZ LYS 75 -10.710 -13.397 20.394 650 H ASP 76 H ASP 76 -4.367 -12.329 17.709 651 HA ASP 76 HA ASP 76 -1.908 -12.042 19.392 652 HB2 ASP 76 1HB ASP 76 -2.444 -13.047 16.541 653 HB3 ASP 76 2HB ASP 76 -0.880 -13.130 17.341 654 H ILE 77 H ILE 77 -1.928 -9.776 19.640 655 HA ILE 77 HA ILE 77 -1.693 -8.000 17.198 656 HB ILE 77 HB ILE 77 -2.263 -7.301 20.122 657 HG12 ILE 77 1HG1 ILE 77 -4.281 -7.207 17.781 658 HG13 ILE 77 2HG1 ILE 77 -4.101 -8.630 18.768 659 HG21 ILE 77 1HG2 ILE 77 -1.237 -5.326 18.976 660 HG22 ILE 77 2HG2 ILE 77 -2.383 -5.462 17.626 661 HG23 ILE 77 3HG2 ILE 77 -2.952 -5.014 19.250 662 HD11 ILE 77 3HD1 ILE 77 -6.006 -7.307 19.582 663 HD12 ILE 77 1HD1 ILE 77 -4.760 -7.383 20.842 664 HD13 ILE 77 2HD1 ILE 77 -4.981 -5.893 19.886 665 H ASN 78 H ASN 78 0.264 -7.643 16.439 666 HA ASN 78 HA ASN 78 2.685 -7.503 18.309 667 HB2 ASN 78 1HB ASN 78 2.391 -8.241 15.332 668 HB3 ASN 78 2HB ASN 78 3.929 -8.118 16.164 669 HD21 ASN 78 1HD2 ASN 78 2.056 -10.447 15.023 670 HD22 ASN 78 2HD2 ASN 78 2.253 -11.649 16.412 671 H VAL 79 H VAL 79 3.464 -5.549 18.685 672 HA VAL 79 HA VAL 79 2.734 -3.206 17.005 673 HB VAL 79 HB VAL 79 2.399 -3.273 19.442 674 HG11 VAL 79 1HG1 VAL 79 5.460 -2.997 19.811 675 HG12 VAL 79 2HG1 VAL 79 4.224 -2.896 21.089 676 HG13 VAL 79 3HG1 VAL 79 4.509 -4.431 20.244 677 HG21 VAL 79 3HG2 VAL 79 3.089 -0.970 19.959 678 HG22 VAL 79 1HG2 VAL 79 4.292 -0.982 18.647 679 HG23 VAL 79 2HG2 VAL 79 2.555 -1.059 18.273 680 H ARG 80 H ARG 80 3.954 -2.218 15.531 681 HA ARG 80 HA ARG 80 6.964 -1.883 16.049 682 HE ARG 80 HE ARG 80 10.090 -3.060 11.721 683 HB2 ARG 80 1HB ARG 80 6.486 -3.553 14.186 684 HB3 ARG 80 2HB ARG 80 5.643 -2.298 13.301 685 HG2 ARG 80 1HG ARG 80 7.910 -0.919 13.418 686 HG3 ARG 80 2HG ARG 80 8.639 -2.398 14.031 687 HD2 ARG 80 1HD ARG 80 7.706 -3.562 11.850 688 HD3 ARG 80 2HD ARG 80 7.277 -1.963 11.266 689 HH11 ARG 80 2HH1 ARG 80 8.264 -0.152 10.644 690 HH12 ARG 80 1HH1 ARG 80 9.823 0.664 10.336 691 HH21 ARG 80 2HH2 ARG 80 11.791 -1.934 11.362 692 HH22 ARG 80 1HH2 ARG 80 11.634 -0.195 10.828 693 H VAL 81 H VAL 81 6.525 0.105 17.082 694 HA VAL 81 HA VAL 81 5.436 2.398 15.355 695 HB VAL 81 HB VAL 81 6.121 2.377 18.335 696 HG11 VAL 81 1HG1 VAL 81 5.097 4.700 18.388 697 HG12 VAL 81 2HG1 VAL 81 6.581 4.669 17.430 698 HG13 VAL 81 3HG1 VAL 81 5.007 4.705 16.610 699 HG21 VAL 81 3HG2 VAL 81 3.656 2.710 18.669 700 HG22 VAL 81 1HG2 VAL 81 3.385 2.684 16.910 701 HG23 VAL 81 2HG2 VAL 81 3.921 1.219 17.750 702 H ASN 82 H ASN 82 6.939 2.919 13.913 703 HA ASN 82 HA ASN 82 9.909 3.186 14.722 704 HB2 ASN 82 1HB ASN 82 9.266 1.557 12.929 705 HB3 ASN 82 2HB ASN 82 8.587 2.826 11.959 706 HD21 ASN 82 1HD2 ASN 82 10.398 4.706 11.645 707 HD22 ASN 82 2HD2 ASN 82 11.952 3.949 10.988 708 H GLY 83 H GLY 83 9.010 5.086 15.890 709 HA2 GLY 83 1HA GLY 83 9.085 7.498 16.157 710 HA3 GLY 83 2HA GLY 83 9.605 7.683 14.499 711 H THR 84 H THR 84 8.045 7.966 12.924 712 HA THR 84 HA THR 84 5.215 8.704 13.831 713 HB THR 84 HB THR 84 4.984 9.936 11.692 714 HG1 THR 84 HG1 THR 84 6.926 10.468 10.612 715 HG21 THR 84 3HG2 THR 84 7.375 10.960 13.342 716 HG22 THR 84 1HG2 THR 84 6.337 11.930 12.265 717 HG23 THR 84 2HG2 THR 84 5.661 11.216 13.746 718 H GLU 85 H GLU 85 6.898 6.302 11.981 719 HA GLU 85 HA GLU 85 4.501 5.333 10.426 720 HB2 GLU 85 1HB GLU 85 6.834 5.094 9.572 721 HB3 GLU 85 2HB GLU 85 7.286 4.183 10.978 722 HG2 GLU 85 1HG GLU 85 5.123 2.621 9.966 723 HG3 GLU 85 2HG GLU 85 5.826 3.270 8.498 724 H VAL 86 H VAL 86 2.888 4.756 11.772 725 HA VAL 86 HA VAL 86 3.368 2.934 14.187 726 HB VAL 86 HB VAL 86 0.811 4.340 13.238 727 HG11 VAL 86 1HG1 VAL 86 -0.162 3.771 15.406 728 HG12 VAL 86 2HG1 VAL 86 0.410 2.259 14.685 729 HG13 VAL 86 3HG1 VAL 86 1.343 3.020 15.987 730 HG21 VAL 86 3HG2 VAL 86 2.454 6.060 14.049 731 HG22 VAL 86 1HG2 VAL 86 1.111 5.896 15.190 732 HG23 VAL 86 2HG2 VAL 86 2.689 5.161 15.564 733 H LYS 87 H LYS 87 3.845 0.956 13.260 734 HA LYS 87 HA LYS 87 1.951 -0.181 11.156 735 HB2 LYS 87 1HB LYS 87 4.344 0.381 10.605 736 HB3 LYS 87 2HB LYS 87 4.878 -0.909 11.649 737 HG2 LYS 87 1HG LYS 87 3.750 -2.617 10.195 738 HG3 LYS 87 2HG LYS 87 2.877 -1.355 9.323 739 HD2 LYS 87 1HD LYS 87 5.111 -0.370 8.558 740 HD3 LYS 87 2HD LYS 87 5.949 -1.731 9.264 741 HE2 LYS 87 1HE LYS 87 4.888 -3.335 7.697 742 HE3 LYS 87 2HE LYS 87 3.691 -2.146 7.176 743 HZ1 LYS 87 3HZ LYS 87 5.483 -0.762 6.216 744 HZ2 LYS 87 1HZ LYS 87 6.657 -1.774 6.731 745 HZ3 LYS 87 2HZ LYS 87 5.604 -2.255 5.552 746 H ILE 88 H ILE 88 0.472 -1.418 12.069 747 HA ILE 88 HA ILE 88 1.216 -3.161 14.504 748 HB ILE 88 HB ILE 88 -1.565 -2.115 13.839 749 HG12 ILE 88 1HG1 ILE 88 -0.284 -0.122 14.330 750 HG13 ILE 88 2HG1 ILE 88 -1.376 -0.455 15.650 751 HG21 ILE 88 1HG2 ILE 88 -0.476 -3.422 16.423 752 HG22 ILE 88 2HG2 ILE 88 -2.089 -2.711 16.239 753 HG23 ILE 88 3HG2 ILE 88 -1.638 -4.136 15.284 754 HD11 ILE 88 3HD1 ILE 88 0.553 -1.316 17.053 755 HD12 ILE 88 1HD1 ILE 88 1.671 -1.060 15.686 756 HD13 ILE 88 2HD1 ILE 88 0.882 0.326 16.450 757 H GLU 89 H GLU 89 1.417 -5.212 14.036 758 HA GLU 89 HA GLU 89 0.018 -6.474 11.637 759 HB2 GLU 89 1HB GLU 89 2.483 -6.626 11.771 760 HB3 GLU 89 2HB GLU 89 2.396 -7.476 13.293 761 HG2 GLU 89 1HG GLU 89 1.176 -8.544 10.646 762 HG3 GLU 89 2HG GLU 89 2.803 -8.915 11.199 763 H VAL 90 H VAL 90 -1.807 -7.562 12.041 764 HA VAL 90 HA VAL 90 -2.164 -8.906 14.779 765 HB VAL 90 HB VAL 90 -4.537 -8.743 14.720 766 HG11 VAL 90 1HG1 VAL 90 -4.717 -6.501 15.503 767 HG12 VAL 90 2HG1 VAL 90 -3.042 -6.964 15.825 768 HG13 VAL 90 3HG1 VAL 90 -3.394 -5.910 14.450 769 HG21 VAL 90 3HG2 VAL 90 -4.391 -6.835 12.297 770 HG22 VAL 90 1HG2 VAL 90 -5.089 -8.484 12.295 771 HG23 VAL 90 2HG2 VAL 90 -5.832 -7.229 13.263 772 H ARG 91 H ARG 91 -2.159 -10.953 14.827 773 HA ARG 91 HA ARG 91 -2.878 -12.570 12.368 774 HE ARG 91 HE ARG 91 2.243 -14.540 11.884 775 HB2 ARG 91 1HB ARG 91 -1.164 -13.122 14.816 776 HB3 ARG 91 2HB ARG 91 -2.046 -14.492 14.179 777 HG2 ARG 91 1HG ARG 91 -1.094 -13.862 11.847 778 HG3 ARG 91 2HG ARG 91 -0.052 -12.703 12.658 779 HD2 ARG 91 1HD ARG 91 1.032 -14.515 13.979 780 HD3 ARG 91 2HD ARG 91 -0.084 -15.730 13.387 781 HH11 ARG 91 2HH1 ARG 91 -0.779 -16.182 11.402 782 HH12 ARG 91 1HH1 ARG 91 -0.293 -16.765 9.715 783 HH21 ARG 91 2HH2 ARG 91 2.757 -15.195 9.961 784 HH22 ARG 91 1HH2 ARG 91 1.556 -16.219 8.984 785 H VAL 92 H VAL 92 -4.360 -14.100 12.232 786 HA VAL 92 HA VAL 92 -6.553 -14.249 14.405 787 HB VAL 92 HB VAL 92 -6.814 -14.925 11.416 788 HG11 VAL 92 1HG1 VAL 92 -8.406 -16.295 12.793 789 HG12 VAL 92 2HG1 VAL 92 -9.015 -14.824 13.592 790 HG13 VAL 92 3HG1 VAL 92 -9.283 -15.082 11.852 791 HG21 VAL 92 3HG2 VAL 92 -8.002 -12.493 12.915 792 HG22 VAL 92 1HG2 VAL 92 -6.679 -12.430 11.727 793 HG23 VAL 92 2HG2 VAL 92 -8.294 -12.922 11.210 Start of MODEL 10 1 H HIS -1 H HIS -1 4.591 15.047 -2.149 2 HA HIS -1 HA HIS -1 5.369 14.761 0.106 3 HD2 HIS -1 HD2 HIS -1 3.820 17.835 -2.337 4 HE1 HIS -1 HE1 HIS -1 7.109 19.336 -0.250 5 HE2 HIS -1 HE2 HIS -1 5.791 19.635 -2.449 6 HB2 HIS -1 1HB HIS -1 2.758 16.337 -0.332 7 HB3 HIS -1 2HB HIS -1 3.609 16.389 1.190 8 H MET 0 H MET 0 5.360 12.962 1.329 9 HA MET 0 HA MET 0 2.951 11.495 2.177 10 HB2 MET 0 1HB MET 0 5.830 11.398 3.275 11 HB3 MET 0 2HB MET 0 4.523 10.389 3.868 12 HG2 MET 0 1HG MET 0 4.160 9.431 1.549 13 HG3 MET 0 2HG MET 0 5.580 10.318 0.970 14 HE1 MET 0 3HE MET 0 6.019 7.689 0.244 15 HE2 MET 0 1HE MET 0 6.570 6.438 1.398 16 HE3 MET 0 2HE MET 0 4.845 6.902 1.343 17 H LYS 1 H LYS 1 1.625 11.836 3.827 18 HA LYS 1 HA LYS 1 2.172 13.943 5.944 19 HB2 LYS 1 1HB LYS 1 0.513 14.591 3.526 20 HB3 LYS 1 2HB LYS 1 -0.419 14.738 4.984 21 HG2 LYS 1 1HG LYS 1 0.426 16.895 4.718 22 HG3 LYS 1 2HG LYS 1 1.395 16.230 5.988 23 HD2 LYS 1 1HD LYS 1 2.808 15.638 3.468 24 HD3 LYS 1 2HD LYS 1 2.161 17.240 3.308 25 HE2 LYS 1 1HE LYS 1 4.360 17.569 4.175 26 HE3 LYS 1 2HE LYS 1 3.298 17.897 5.553 27 HZ1 LYS 1 3HZ LYS 1 5.296 16.229 5.955 28 HZ2 LYS 1 1HZ LYS 1 3.838 15.772 6.564 29 HZ3 LYS 1 2HZ LYS 1 4.349 15.098 5.172 30 H VAL 2 H VAL 2 -0.630 12.116 4.752 31 HA VAL 2 HA VAL 2 -0.884 10.850 7.526 32 HB VAL 2 HB VAL 2 -3.292 11.976 6.009 33 HG11 VAL 2 1HG1 VAL 2 -3.334 10.501 8.734 34 HG12 VAL 2 2HG1 VAL 2 -4.719 11.239 7.897 35 HG13 VAL 2 3HG1 VAL 2 -3.926 9.829 7.194 36 HG21 VAL 2 3HG2 VAL 2 -2.184 12.822 8.776 37 HG22 VAL 2 1HG2 VAL 2 -2.080 13.787 7.290 38 HG23 VAL 2 2HG2 VAL 2 -3.666 13.455 8.007 39 H ASP 3 H ASP 3 0.477 9.505 6.125 40 HA ASP 3 HA ASP 3 -0.804 8.002 3.901 41 HB2 ASP 3 1HB ASP 3 2.053 8.218 4.986 42 HB3 ASP 3 2HB ASP 3 1.616 7.046 3.759 43 H ILE 4 H ILE 4 -2.234 6.581 4.527 44 HA ILE 4 HA ILE 4 -1.738 4.592 6.754 45 HB ILE 4 HB ILE 4 -4.156 4.999 4.924 46 HG12 ILE 4 1HG1 ILE 4 -3.925 5.557 7.950 47 HG13 ILE 4 2HG1 ILE 4 -3.727 6.796 6.724 48 HG21 ILE 4 1HG2 ILE 4 -3.844 3.029 7.301 49 HG22 ILE 4 2HG2 ILE 4 -5.373 3.365 6.447 50 HG23 ILE 4 3HG2 ILE 4 -4.049 2.599 5.584 51 HD11 ILE 4 3HD1 ILE 4 -6.335 5.239 7.262 52 HD12 ILE 4 1HD1 ILE 4 -6.013 6.958 7.553 53 HD13 ILE 4 2HD1 ILE 4 -6.108 6.343 5.885 54 H THR 5 H THR 5 -0.323 3.079 6.238 55 HA THR 5 HA THR 5 -0.286 1.751 3.463 56 HB THR 5 HB THR 5 1.955 1.851 5.542 57 HG1 THR 5 HG1 THR 5 1.956 2.914 2.942 58 HG21 THR 5 3HG2 THR 5 1.947 0.667 2.672 59 HG22 THR 5 1HG2 THR 5 3.387 0.896 3.698 60 HG23 THR 5 2HG2 THR 5 2.128 -0.260 4.179 61 H ILE 6 H ILE 6 -1.665 0.137 3.538 62 HA ILE 6 HA ILE 6 -1.731 -1.780 5.948 63 HB ILE 6 HB ILE 6 -3.971 -1.008 4.015 64 HG12 ILE 6 1HG1 ILE 6 -3.912 -0.904 7.099 65 HG13 ILE 6 2HG1 ILE 6 -3.443 0.460 6.117 66 HG21 ILE 6 1HG2 ILE 6 -4.174 -3.447 4.338 67 HG22 ILE 6 2HG2 ILE 6 -3.995 -3.309 6.104 68 HG23 ILE 6 3HG2 ILE 6 -5.445 -2.682 5.278 69 HD11 ILE 6 3HD1 ILE 6 -5.715 0.564 5.066 70 HD12 ILE 6 1HD1 ILE 6 -6.270 -0.785 6.094 71 HD13 ILE 6 2HD1 ILE 6 -5.782 0.750 6.838 72 H LYS 7 H LYS 7 -0.810 -3.719 5.484 73 HA LYS 7 HA LYS 7 -1.551 -4.861 2.788 74 HB2 LYS 7 1HB LYS 7 0.373 -6.044 2.277 75 HB3 LYS 7 2HB LYS 7 0.684 -4.321 2.390 76 HG2 LYS 7 1HG LYS 7 2.040 -4.541 4.393 77 HG3 LYS 7 2HG LYS 7 1.418 -6.153 4.694 78 HD2 LYS 7 1HD LYS 7 3.703 -6.388 3.824 79 HD3 LYS 7 2HD LYS 7 2.550 -7.080 2.706 80 HE2 LYS 7 1HE LYS 7 2.738 -4.706 1.431 81 HE3 LYS 7 2HE LYS 7 4.164 -4.436 2.386 82 HZ1 LYS 7 3HZ LYS 7 4.060 -5.826 0.004 83 HZ2 LYS 7 1HZ LYS 7 5.293 -6.088 1.093 84 HZ3 LYS 7 2HZ LYS 7 3.987 -7.126 1.037 85 H ILE 8 H ILE 8 -2.469 -6.619 2.658 86 HA ILE 8 HA ILE 8 -3.347 -7.958 5.259 87 HB ILE 8 HB ILE 8 -4.737 -7.798 2.510 88 HG12 ILE 8 1HG1 ILE 8 -5.565 -6.141 4.965 89 HG13 ILE 8 2HG1 ILE 8 -4.481 -5.530 3.727 90 HG21 ILE 8 1HG2 ILE 8 -6.826 -8.522 3.724 91 HG22 ILE 8 2HG2 ILE 8 -5.557 -9.733 3.884 92 HG23 ILE 8 3HG2 ILE 8 -5.915 -8.637 5.246 93 HD11 ILE 8 3HD1 ILE 8 -6.205 -5.787 1.938 94 HD12 ILE 8 1HD1 ILE 8 -7.383 -6.369 3.146 95 HD13 ILE 8 2HD1 ILE 8 -6.740 -4.718 3.251 96 H GLN 9 H GLN 9 -1.630 -9.580 5.354 97 HA GLN 9 HA GLN 9 -1.467 -11.520 3.066 98 HB2 GLN 9 1HB GLN 9 0.526 -12.193 3.671 99 HB3 GLN 9 2HB GLN 9 0.557 -10.617 4.368 100 HG2 GLN 9 1HG GLN 9 1.424 -11.728 6.178 101 HG3 GLN 9 2HG GLN 9 -0.255 -11.974 6.599 102 HE21 GLN 9 1HE2 GLN 9 2.456 -13.499 4.935 103 HE22 GLN 9 2HE2 GLN 9 1.876 -15.214 5.247 104 H ARG 10 H ARG 10 -2.629 -13.192 2.821 105 HA ARG 10 HA ARG 10 -4.332 -14.344 5.118 106 HE ARG 10 HE ARG 10 -7.646 -15.384 1.432 107 HB2 ARG 10 1HB ARG 10 -6.199 -14.435 3.541 108 HB3 ARG 10 2HB ARG 10 -5.646 -12.805 3.789 109 HG2 ARG 10 1HG ARG 10 -4.716 -12.569 1.611 110 HG3 ARG 10 2HG ARG 10 -4.569 -14.280 1.315 111 HD2 ARG 10 1HD ARG 10 -7.330 -12.928 1.623 112 HD3 ARG 10 2HD ARG 10 -6.486 -12.887 0.103 113 HH11 ARG 10 2HH1 ARG 10 -5.772 -14.207 -1.304 114 HH12 ARG 10 1HH1 ARG 10 -5.976 -15.819 -2.145 115 HH21 ARG 10 2HH2 ARG 10 -7.788 -17.172 0.412 116 HH22 ARG 10 1HH2 ARG 10 -7.012 -17.388 -1.210 117 H ASP 11 H ASP 11 -5.331 -16.127 2.809 118 HA ASP 11 HA ASP 11 -3.667 -18.518 3.478 119 HB2 ASP 11 1HB ASP 11 -6.144 -18.566 3.223 120 HB3 ASP 11 2HB ASP 11 -6.006 -18.087 1.538 121 H GLY 12 H GLY 12 -1.637 -17.898 2.790 122 HA2 GLY 12 1HA GLY 12 0.290 -17.996 1.323 123 HA3 GLY 12 2HA GLY 12 -0.714 -18.790 0.138 124 H GLN 13 H GLN 13 -1.434 -15.509 1.177 125 HA GLN 13 HA GLN 13 -0.439 -14.277 -1.421 126 HB2 GLN 13 1HB GLN 13 -2.545 -15.761 -1.816 127 HB3 GLN 13 2HB GLN 13 -3.444 -14.713 -0.778 128 HG2 GLN 13 1HG GLN 13 -1.992 -13.637 -3.310 129 HG3 GLN 13 2HG GLN 13 -3.520 -14.469 -3.432 130 HE21 GLN 13 1HE2 GLN 13 -2.318 -11.402 -3.223 131 HE22 GLN 13 2HE2 GLN 13 -3.849 -10.646 -2.562 132 H GLU 14 H GLU 14 -0.134 -12.076 -1.171 133 HA GLU 14 HA GLU 14 -1.641 -10.659 1.055 134 HB2 GLU 14 1HB GLU 14 0.195 -9.346 1.705 135 HB3 GLU 14 2HB GLU 14 0.596 -11.044 1.790 136 HG2 GLU 14 1HG GLU 14 2.033 -10.862 -0.267 137 HG3 GLU 14 2HG GLU 14 1.644 -9.140 -0.397 138 H ILE 15 H ILE 15 -2.727 -8.920 0.737 139 HA ILE 15 HA ILE 15 -2.577 -7.476 -1.971 140 HB ILE 15 HB ILE 15 -4.824 -7.195 0.111 141 HG12 ILE 15 1HG1 ILE 15 -6.271 -8.399 -1.729 142 HG13 ILE 15 2HG1 ILE 15 -4.770 -9.049 -2.338 143 HG21 ILE 15 1HG2 ILE 15 -4.691 -6.278 -2.842 144 HG22 ILE 15 2HG2 ILE 15 -6.093 -6.098 -1.758 145 HG23 ILE 15 3HG2 ILE 15 -4.602 -5.225 -1.414 146 HD11 ILE 15 3HD1 ILE 15 -6.066 -10.587 -0.754 147 HD12 ILE 15 1HD1 ILE 15 -4.447 -10.284 -0.114 148 HD13 ILE 15 2HD1 ILE 15 -5.846 -9.422 0.568 149 H GLU 16 H GLU 16 -1.185 -5.769 -1.856 150 HA GLU 16 HA GLU 16 -0.970 -4.203 0.735 151 HB2 GLU 16 1HB GLU 16 1.168 -3.501 0.213 152 HB3 GLU 16 2HB GLU 16 1.050 -5.255 0.095 153 HG2 GLU 16 1HG GLU 16 1.235 -5.121 -2.416 154 HG3 GLU 16 2HG GLU 16 1.258 -3.351 -2.331 155 H ILE 17 H ILE 17 -1.593 -2.270 1.019 156 HA ILE 17 HA ILE 17 -2.373 -0.442 -1.347 157 HB ILE 17 HB ILE 17 -4.021 -1.133 1.158 158 HG12 ILE 17 1HG1 ILE 17 -4.251 -2.967 -0.423 159 HG13 ILE 17 2HG1 ILE 17 -5.755 -2.114 -0.220 160 HG21 ILE 17 1HG2 ILE 17 -5.879 0.293 0.228 161 HG22 ILE 17 2HG2 ILE 17 -4.445 1.232 0.657 162 HG23 ILE 17 3HG2 ILE 17 -4.782 0.871 -1.051 163 HD11 ILE 17 3HD1 ILE 17 -5.454 -0.986 -2.482 164 HD12 ILE 17 1HD1 ILE 17 -3.888 -1.815 -2.681 165 HD13 ILE 17 2HD1 ILE 17 -5.393 -2.757 -2.617 166 H ASP 18 H ASP 18 -1.007 1.337 -1.096 167 HA ASP 18 HA ASP 18 -0.964 2.635 1.658 168 HB2 ASP 18 1HB ASP 18 1.021 3.626 1.407 169 HB3 ASP 18 2HB ASP 18 1.325 2.056 0.694 170 H ILE 19 H ILE 19 -2.187 4.279 1.992 171 HA ILE 19 HA ILE 19 -3.205 5.990 -0.340 172 HB ILE 19 HB ILE 19 -5.489 5.986 0.609 173 HG12 ILE 19 1HG1 ILE 19 -5.656 3.366 1.872 174 HG13 ILE 19 2HG1 ILE 19 -4.387 4.194 2.713 175 HG21 ILE 19 1HG2 ILE 19 -6.199 3.872 -0.489 176 HG22 ILE 19 2HG2 ILE 19 -4.971 4.740 -1.434 177 HG23 ILE 19 3HG2 ILE 19 -4.510 3.308 -0.500 178 HD11 ILE 19 3HD1 ILE 19 -6.543 4.637 3.831 179 HD12 ILE 19 1HD1 ILE 19 -5.942 6.168 3.162 180 HD13 ILE 19 2HD1 ILE 19 -7.255 5.285 2.331 181 H ARG 20 H ARG 20 -2.661 7.960 -0.033 182 HA ARG 20 HA ARG 20 -2.219 9.092 2.715 183 HE ARG 20 HE ARG 20 -0.851 8.396 -2.543 184 HB2 ARG 20 1HB ARG 20 -0.907 10.785 1.729 185 HB3 ARG 20 2HB ARG 20 -0.469 9.199 1.213 186 HG2 ARG 20 1HG ARG 20 -2.186 10.208 -0.919 187 HG3 ARG 20 2HG ARG 20 -1.204 11.550 -0.396 188 HD2 ARG 20 1HD ARG 20 0.194 10.570 -2.037 189 HD3 ARG 20 2HD ARG 20 0.905 9.970 -0.562 190 HH11 ARG 20 2HH1 ARG 20 1.327 8.063 0.358 191 HH12 ARG 20 1HH1 ARG 20 1.578 6.329 -0.254 192 HH21 ARG 20 2HH2 ARG 20 -0.574 6.336 -2.763 193 HH22 ARG 20 1HH2 ARG 20 0.648 5.491 -1.696 194 H VAL 21 H VAL 21 -3.900 9.799 3.720 195 HA VAL 21 HA VAL 21 -6.039 11.470 2.244 196 HB VAL 21 HB VAL 21 -7.735 10.603 3.803 197 HG11 VAL 21 1HG1 VAL 21 -8.103 8.435 2.638 198 HG12 VAL 21 2HG1 VAL 21 -7.529 9.668 1.498 199 HG13 VAL 21 3HG1 VAL 21 -6.412 8.415 2.081 200 HG21 VAL 21 3HG2 VAL 21 -5.718 8.426 4.670 201 HG22 VAL 21 1HG2 VAL 21 -6.376 9.698 5.717 202 HG23 VAL 21 2HG2 VAL 21 -7.459 8.468 5.045 203 H SER 22 H SER 22 -4.716 13.285 2.689 204 HA SER 22 HA SER 22 -4.064 14.191 5.378 205 HG SER 22 HG SER 22 -5.239 16.331 2.921 206 HB2 SER 22 1HB SER 22 -3.271 16.225 4.308 207 HB3 SER 22 2HB SER 22 -2.826 14.856 3.298 208 H THR 23 H THR 23 -5.892 14.010 6.500 209 HA THR 23 HA THR 23 -8.183 16.006 6.200 210 HB THR 23 HB THR 23 -9.752 14.023 6.414 211 HG1 THR 23 HG1 THR 23 -7.390 12.499 5.936 212 HG21 THR 23 3HG2 THR 23 -9.315 14.877 4.099 213 HG22 THR 23 1HG2 THR 23 -7.961 13.743 3.926 214 HG23 THR 23 2HG2 THR 23 -9.604 13.114 4.135 215 H GLY 24 H GLY 24 -9.252 16.552 8.006 216 HA2 GLY 24 1HA GLY 24 -8.273 15.775 10.737 217 HA3 GLY 24 2HA GLY 24 -9.614 16.848 10.419 218 H LYS 25 H LYS 25 -11.590 15.584 9.406 219 HA LYS 25 HA LYS 25 -11.954 12.849 10.778 220 HB2 LYS 25 1HB LYS 25 -13.966 13.402 11.685 221 HB3 LYS 25 2HB LYS 25 -13.060 14.847 11.975 222 HG2 LYS 25 1HG LYS 25 -15.305 14.364 9.932 223 HG3 LYS 25 2HG LYS 25 -15.388 15.344 11.383 224 HD2 LYS 25 1HD LYS 25 -13.693 16.975 10.284 225 HD3 LYS 25 2HD LYS 25 -13.774 15.958 8.833 226 HE2 LYS 25 1HE LYS 25 -16.351 16.340 8.792 227 HE3 LYS 25 2HE LYS 25 -16.148 17.513 10.100 228 HZ1 LYS 25 3HZ LYS 25 -16.023 18.653 7.897 229 HZ2 LYS 25 1HZ LYS 25 -14.518 18.728 8.568 230 HZ3 LYS 25 2HZ LYS 25 -14.847 17.633 7.381 231 H GLU 26 H GLU 26 -11.746 13.935 7.687 232 HA GLU 26 HA GLU 26 -13.891 12.061 6.692 233 HB2 GLU 26 1HB GLU 26 -11.959 13.642 4.963 234 HB3 GLU 26 2HB GLU 26 -13.334 12.698 4.432 235 HG2 GLU 26 1HG GLU 26 -13.428 15.335 6.004 236 HG3 GLU 26 2HG GLU 26 -14.033 15.019 4.387 237 H LEU 27 H LEU 27 -10.497 11.633 7.341 238 HA LEU 27 HA LEU 27 -10.187 9.029 6.085 239 HG LEU 27 HG LEU 27 -9.354 9.062 9.824 240 HB2 LEU 27 1HB LEU 27 -8.437 8.550 7.522 241 HB3 LEU 27 2HB LEU 27 -8.309 10.243 7.161 242 HD11 LEU 27 1HD1 LEU 27 -7.149 9.741 10.762 243 HD12 LEU 27 2HD1 LEU 27 -6.907 8.608 9.421 244 HD13 LEU 27 3HD1 LEU 27 -6.619 10.349 9.177 245 HD21 LEU 27 3HD2 LEU 27 -9.049 11.389 10.757 246 HD22 LEU 27 1HD2 LEU 27 -8.672 12.005 9.133 247 HD23 LEU 27 2HD2 LEU 27 -10.291 11.363 9.506 248 H GLU 28 H GLU 28 -12.191 9.786 8.869 249 HA GLU 28 HA GLU 28 -12.915 7.230 9.990 250 HB2 GLU 28 1HB GLU 28 -14.608 9.635 9.113 251 HB3 GLU 28 2HB GLU 28 -15.295 8.317 10.046 252 HG2 GLU 28 1HG GLU 28 -13.900 8.908 12.018 253 HG3 GLU 28 2HG GLU 28 -13.068 10.153 11.098 254 H ARG 29 H ARG 29 -14.059 8.592 6.930 255 HA ARG 29 HA ARG 29 -15.958 6.338 6.335 256 HE ARG 29 HE ARG 29 -16.647 12.344 6.055 257 HB2 ARG 29 1HB ARG 29 -15.023 8.371 4.228 258 HB3 ARG 29 2HB ARG 29 -16.388 7.291 4.162 259 HG2 ARG 29 1HG ARG 29 -17.507 9.264 4.638 260 HG3 ARG 29 2HG ARG 29 -17.339 8.629 6.261 261 HD2 ARG 29 1HD ARG 29 -15.069 10.086 6.327 262 HD3 ARG 29 2HD ARG 29 -15.592 10.745 4.813 263 HH11 ARG 29 2HH1 ARG 29 -17.007 9.505 7.978 264 HH12 ARG 29 1HH1 ARG 29 -16.802 10.497 9.535 265 HH21 ARG 29 2HH2 ARG 29 -16.404 13.365 7.804 266 HH22 ARG 29 1HH2 ARG 29 -16.681 12.474 9.403 267 H ALA 30 H ALA 30 -12.767 7.237 5.003 268 HA ALA 30 HA ALA 30 -12.353 4.797 3.380 269 HB1 ALA 30 3HB ALA 30 -11.021 6.869 3.022 270 HB2 ALA 30 1HB ALA 30 -10.312 6.742 4.655 271 HB3 ALA 30 2HB ALA 30 -9.944 5.516 3.419 272 H LEU 31 H LEU 31 -11.380 5.524 6.794 273 HA LEU 31 HA LEU 31 -10.218 2.913 7.357 274 HG LEU 31 HG LEU 31 -10.522 2.496 10.209 275 HB2 LEU 31 1HB LEU 31 -10.086 5.150 8.722 276 HB3 LEU 31 2HB LEU 31 -11.646 4.725 9.377 277 HD11 LEU 31 1HD1 LEU 31 -7.969 2.664 10.492 278 HD12 LEU 31 2HD1 LEU 31 -8.461 2.483 8.801 279 HD13 LEU 31 3HD1 LEU 31 -7.967 4.078 9.421 280 HD21 LEU 31 3HD2 LEU 31 -9.524 3.626 12.208 281 HD22 LEU 31 1HD2 LEU 31 -9.483 5.183 11.344 282 HD23 LEU 31 2HD2 LEU 31 -11.039 4.417 11.743 283 H GLN 32 H GLN 32 -13.697 3.884 7.770 284 HA GLN 32 HA GLN 32 -14.511 1.131 8.521 285 HB2 GLN 32 1HB GLN 32 -15.992 3.683 7.776 286 HB3 GLN 32 2HB GLN 32 -16.864 2.185 7.740 287 HG2 GLN 32 1HG GLN 32 -15.377 3.228 10.241 288 HG3 GLN 32 2HG GLN 32 -17.089 3.402 9.925 289 HE21 GLN 32 1HE2 GLN 32 -14.689 1.173 11.007 290 HE22 GLN 32 2HE2 GLN 32 -15.825 -0.258 11.184 291 H GLU 33 H GLU 33 -14.447 2.707 5.280 292 HA GLU 33 HA GLU 33 -15.407 0.348 3.817 293 HB2 GLU 33 1HB GLU 33 -15.145 2.723 2.929 294 HB3 GLU 33 2HB GLU 33 -13.408 2.486 2.884 295 HG2 GLU 33 1HG GLU 33 -14.285 2.154 0.632 296 HG3 GLU 33 2HG GLU 33 -13.749 0.582 1.191 297 H LEU 34 H LEU 34 -12.062 1.213 4.754 298 HA LEU 34 HA LEU 34 -10.774 -1.317 3.943 299 HG LEU 34 HG LEU 34 -9.899 1.369 3.462 300 HB2 LEU 34 1HB LEU 34 -10.075 0.787 6.067 301 HB3 LEU 34 2HB LEU 34 -9.015 -0.549 5.706 302 HD11 LEU 34 1HD1 LEU 34 -8.934 2.861 5.101 303 HD12 LEU 34 2HD1 LEU 34 -7.587 1.774 5.449 304 HD13 LEU 34 3HD1 LEU 34 -7.693 2.586 3.868 305 HD21 LEU 34 3HD2 LEU 34 -7.443 -0.489 3.756 306 HD22 LEU 34 1HD2 LEU 34 -8.849 -0.766 2.704 307 HD23 LEU 34 2HD2 LEU 34 -7.766 0.597 2.383 308 H GLU 35 H GLU 35 -12.233 -0.443 7.138 309 HA GLU 35 HA GLU 35 -11.869 -3.000 8.450 310 HB2 GLU 35 1HB GLU 35 -12.658 -0.810 9.427 311 HB3 GLU 35 2HB GLU 35 -14.261 -1.111 8.817 312 HG2 GLU 35 1HG GLU 35 -13.022 -3.356 10.483 313 HG3 GLU 35 2HG GLU 35 -13.340 -1.865 11.340 314 H LYS 36 H LYS 36 -14.771 -1.947 6.649 315 HA LYS 36 HA LYS 36 -16.263 -4.386 6.278 316 HB2 LYS 36 1HB LYS 36 -16.971 -2.094 5.657 317 HB3 LYS 36 2HB LYS 36 -15.659 -1.955 4.516 318 HG2 LYS 36 1HG LYS 36 -16.853 -3.903 3.162 319 HG3 LYS 36 2HG LYS 36 -18.254 -3.566 4.185 320 HD2 LYS 36 1HD LYS 36 -18.149 -1.110 3.476 321 HD3 LYS 36 2HD LYS 36 -16.673 -1.441 2.582 322 HE2 LYS 36 1HE LYS 36 -18.002 -3.090 1.086 323 HE3 LYS 36 2HE LYS 36 -19.489 -2.525 1.878 324 HZ1 LYS 36 3HZ LYS 36 -17.430 -0.713 0.542 325 HZ2 LYS 36 1HZ LYS 36 -18.890 -1.087 -0.168 326 HZ3 LYS 36 2HZ LYS 36 -18.750 -0.154 1.207 327 H ALA 37 H ALA 37 -13.614 -3.273 4.063 328 HA ALA 37 HA ALA 37 -13.441 -5.749 2.508 329 HB1 ALA 37 3HB ALA 37 -12.512 -3.535 1.776 330 HB2 ALA 37 1HB ALA 37 -11.269 -3.618 3.044 331 HB3 ALA 37 2HB ALA 37 -11.271 -4.804 1.719 332 H LEU 38 H LEU 38 -11.451 -4.818 5.379 333 HA LEU 38 HA LEU 38 -10.019 -7.369 5.619 334 HG LEU 38 HG LEU 38 -10.016 -7.120 8.985 335 HB2 LEU 38 1HB LEU 38 -9.268 -5.270 6.642 336 HB3 LEU 38 2HB LEU 38 -10.707 -5.164 7.636 337 HD11 LEU 38 1HD1 LEU 38 -8.717 -8.475 7.324 338 HD12 LEU 38 2HD1 LEU 38 -7.457 -7.215 7.240 339 HD13 LEU 38 3HD1 LEU 38 -7.737 -8.124 8.752 340 HD21 LEU 38 3HD2 LEU 38 -8.062 -6.039 10.117 341 HD22 LEU 38 1HD2 LEU 38 -7.755 -5.029 8.683 342 HD23 LEU 38 2HD2 LEU 38 -9.245 -4.808 9.631 343 H ALA 39 H ALA 39 -13.051 -6.365 7.326 344 HA ALA 39 HA ALA 39 -13.538 -8.913 8.685 345 HB1 ALA 39 3HB ALA 39 -15.856 -7.989 8.970 346 HB2 ALA 39 1HB ALA 39 -14.643 -6.737 9.291 347 HB3 ALA 39 2HB ALA 39 -15.528 -6.730 7.755 348 H ARG 40 H ARG 40 -14.725 -7.866 5.446 349 HA ARG 40 HA ARG 40 -16.001 -10.496 4.877 350 HE ARG 40 HE ARG 40 -15.366 -8.646 0.384 351 HB2 ARG 40 1HB ARG 40 -16.587 -8.227 3.810 352 HB3 ARG 40 2HB ARG 40 -15.120 -8.347 2.859 353 HG2 ARG 40 1HG ARG 40 -16.058 -10.579 1.864 354 HG3 ARG 40 2HG ARG 40 -17.481 -10.356 2.853 355 HD2 ARG 40 1HD ARG 40 -18.119 -9.587 0.699 356 HD3 ARG 40 2HD ARG 40 -17.936 -8.116 1.673 357 HH11 ARG 40 2HH1 ARG 40 -18.576 -7.718 -0.578 358 HH12 ARG 40 1HH1 ARG 40 -17.969 -6.864 -2.078 359 HH21 ARG 40 2HH2 ARG 40 -14.707 -7.668 -1.328 360 HH22 ARG 40 1HH2 ARG 40 -15.870 -6.842 -2.459 361 H ALA 41 H ALA 41 -12.706 -9.315 4.239 362 HA ALA 41 HA ALA 41 -11.894 -11.681 2.629 363 HB1 ALA 41 3HB ALA 41 -9.589 -10.735 2.873 364 HB2 ALA 41 1HB ALA 41 -10.754 -9.474 2.417 365 HB3 ALA 41 2HB ALA 41 -10.171 -9.580 4.095 366 H GLY 42 H GLY 42 -11.251 -10.918 6.111 367 HA2 GLY 42 1HA GLY 42 -10.750 -12.473 7.924 368 HA3 GLY 42 2HA GLY 42 -11.163 -13.794 6.859 369 H ALA 43 H ALA 43 -8.537 -11.531 7.588 370 HA ALA 43 HA ALA 43 -6.532 -13.380 6.245 371 HB1 ALA 43 3HB ALA 43 -5.215 -11.248 6.028 372 HB2 ALA 43 1HB ALA 43 -6.862 -11.098 5.380 373 HB3 ALA 43 2HB ALA 43 -6.463 -10.382 6.959 374 H ARG 44 H ARG 44 -4.315 -13.426 6.973 375 HA ARG 44 HA ARG 44 -4.278 -14.543 9.778 376 HE ARG 44 HE ARG 44 -1.808 -18.922 8.757 377 HB2 ARG 44 1HB ARG 44 -2.252 -14.696 7.475 378 HB3 ARG 44 2HB ARG 44 -1.969 -15.372 9.065 379 HG2 ARG 44 1HG ARG 44 -3.911 -16.978 8.748 380 HG3 ARG 44 2HG ARG 44 -4.206 -16.279 7.163 381 HD2 ARG 44 1HD ARG 44 -2.920 -18.223 6.692 382 HD3 ARG 44 2HD ARG 44 -1.804 -16.914 6.448 383 HH11 ARG 44 2HH1 ARG 44 -0.148 -16.132 7.368 384 HH12 ARG 44 1HH1 ARG 44 1.334 -16.504 8.352 385 HH21 ARG 44 2HH2 ARG 44 -0.066 -19.271 9.799 386 HH22 ARG 44 1HH2 ARG 44 1.392 -18.201 9.593 387 H ASN 45 H ASN 45 -1.831 -12.566 7.993 388 HA ASN 45 HA ASN 45 -1.089 -11.255 10.696 389 HB2 ASN 45 1HB ASN 45 0.926 -11.975 8.498 390 HB3 ASN 45 2HB ASN 45 1.247 -11.088 9.954 391 HD21 ASN 45 1HD2 ASN 45 2.509 -12.360 11.130 392 HD22 ASN 45 2HD2 ASN 45 2.246 -14.178 11.361 393 H VAL 46 H VAL 46 -2.166 -9.351 10.412 394 HA VAL 46 HA VAL 46 -1.950 -7.901 7.708 395 HB VAL 46 HB VAL 46 -4.042 -7.500 9.888 396 HG11 VAL 46 1HG1 VAL 46 -5.307 -6.202 8.157 397 HG12 VAL 46 2HG1 VAL 46 -3.751 -5.432 8.487 398 HG13 VAL 46 3HG1 VAL 46 -3.960 -6.378 7.001 399 HG21 VAL 46 3HG2 VAL 46 -4.289 -9.008 7.197 400 HG22 VAL 46 1HG2 VAL 46 -4.335 -9.747 8.811 401 HG23 VAL 46 2HG2 VAL 46 -5.622 -8.650 8.324 402 H GLN 47 H GLN 47 -0.480 -6.407 7.612 403 HA GLN 47 HA GLN 47 0.505 -4.796 10.043 404 HB2 GLN 47 1HB GLN 47 1.549 -5.011 7.170 405 HB3 GLN 47 2HB GLN 47 2.070 -3.770 8.293 406 HG2 GLN 47 1HG GLN 47 2.814 -5.527 9.960 407 HG3 GLN 47 2HG GLN 47 2.373 -6.795 8.831 408 HE21 GLN 47 1HE2 GLN 47 3.886 -7.274 7.209 409 HE22 GLN 47 2HE2 GLN 47 5.479 -6.356 7.069 410 H ILE 48 H ILE 48 -1.159 -3.464 10.549 411 HA ILE 48 HA ILE 48 -2.097 -1.440 8.438 412 HB ILE 48 HB ILE 48 -3.153 -1.706 11.292 413 HG12 ILE 48 1HG1 ILE 48 -4.394 -2.547 8.595 414 HG13 ILE 48 2HG1 ILE 48 -3.957 -3.573 9.944 415 HG21 ILE 48 1HG2 ILE 48 -3.178 0.691 10.486 416 HG22 ILE 48 2HG2 ILE 48 -4.050 0.219 9.019 417 HG23 ILE 48 3HG2 ILE 48 -4.816 0.068 10.611 418 HD11 ILE 48 3HD1 ILE 48 -6.362 -3.372 10.036 419 HD12 ILE 48 1HD1 ILE 48 -5.780 -2.326 11.357 420 HD13 ILE 48 2HD1 ILE 48 -6.322 -1.610 9.825 421 H THR 49 H THR 49 -0.622 0.070 8.134 422 HA THR 49 HA THR 49 0.921 1.237 10.496 423 HB THR 49 HB THR 49 1.833 1.025 7.578 424 HG1 THR 49 HG1 THR 49 1.640 -0.884 8.894 425 HG21 THR 49 3HG2 THR 49 4.124 1.616 8.498 426 HG22 THR 49 1HG2 THR 49 2.981 2.950 8.672 427 HG23 THR 49 2HG2 THR 49 3.394 1.955 10.085 428 H ILE 50 H ILE 50 0.952 3.423 10.722 429 HA ILE 50 HA ILE 50 0.111 5.112 8.369 430 HB ILE 50 HB ILE 50 -1.856 4.929 9.839 431 HG12 ILE 50 1HG1 ILE 50 -1.752 6.647 8.180 432 HG13 ILE 50 2HG1 ILE 50 -2.647 7.149 9.594 433 HG21 ILE 50 1HG2 ILE 50 -2.130 6.339 11.834 434 HG22 ILE 50 2HG2 ILE 50 -0.980 5.028 12.112 435 HG23 ILE 50 3HG2 ILE 50 -0.379 6.686 11.882 436 HD11 ILE 50 3HD1 ILE 50 -1.417 9.090 8.917 437 HD12 ILE 50 1HD1 ILE 50 -0.456 8.497 10.289 438 HD13 ILE 50 2HD1 ILE 50 0.075 8.189 8.620 439 H SER 51 H SER 51 1.731 6.297 7.797 440 HA SER 51 HA SER 51 4.017 7.016 9.687 441 HG SER 51 HG SER 51 5.091 8.984 7.687 442 HB2 SER 51 1HB SER 51 4.558 6.196 7.412 443 HB3 SER 51 2HB SER 51 3.659 7.531 6.676 444 H ALA 52 H ALA 52 3.107 8.436 11.107 445 HA ALA 52 HA ALA 52 1.306 10.646 10.217 446 HB1 ALA 52 3HB ALA 52 2.354 9.847 13.027 447 HB2 ALA 52 1HB ALA 52 0.972 10.902 12.687 448 HB3 ALA 52 2HB ALA 52 0.906 9.187 12.240 449 H GLU 53 H GLU 53 1.441 12.825 10.906 450 HA GLU 53 HA GLU 53 3.929 14.208 10.321 451 HB2 GLU 53 1HB GLU 53 1.328 15.242 11.613 452 HB3 GLU 53 2HB GLU 53 2.641 16.290 11.132 453 HG2 GLU 53 1HG GLU 53 1.147 14.482 9.115 454 HG3 GLU 53 2HG GLU 53 0.722 16.154 9.453 455 H ASN 54 H ASN 54 2.556 13.486 13.503 456 HA ASN 54 HA ASN 54 5.099 14.484 14.855 457 HB2 ASN 54 1HB ASN 54 2.263 15.447 15.691 458 HB3 ASN 54 2HB ASN 54 3.670 15.588 16.713 459 HD21 ASN 54 1HD2 ASN 54 2.044 17.108 14.112 460 HD22 ASN 54 2HD2 ASN 54 3.314 18.432 13.951 461 H ASP 55 H ASP 55 5.288 13.797 17.100 462 HA ASP 55 HA ASP 55 4.636 10.960 17.541 463 HB2 ASP 55 1HB ASP 55 5.850 11.223 19.641 464 HB3 ASP 55 2HB ASP 55 6.760 11.852 18.291 465 H GLU 56 H GLU 56 3.425 13.933 19.215 466 HA GLU 56 HA GLU 56 1.277 12.661 20.670 467 HB2 GLU 56 1HB GLU 56 1.252 15.494 19.459 468 HB3 GLU 56 2HB GLU 56 0.069 14.883 20.601 469 HG2 GLU 56 1HG GLU 56 1.974 14.478 22.305 470 HG3 GLU 56 2HG GLU 56 3.074 15.288 21.194 471 H GLN 57 H GLN 57 1.129 13.663 17.291 472 HA GLN 57 HA GLN 57 -1.657 12.715 16.721 473 HB2 GLN 57 1HB GLN 57 0.755 13.127 14.848 474 HB3 GLN 57 2HB GLN 57 -0.790 12.554 14.281 475 HG2 GLN 57 1HG GLN 57 -0.430 15.284 15.678 476 HG3 GLN 57 2HG GLN 57 -0.355 15.052 13.947 477 HE21 GLN 57 1HE2 GLN 57 -2.343 14.508 12.820 478 HE22 GLN 57 2HE2 GLN 57 -3.946 14.812 13.678 479 H ALA 58 H ALA 58 1.560 11.107 16.302 480 HA ALA 58 HA ALA 58 0.580 8.447 15.686 481 HB1 ALA 58 3HB ALA 58 3.135 9.237 17.211 482 HB2 ALA 58 1HB ALA 58 2.841 7.694 16.392 483 HB3 ALA 58 2HB ALA 58 2.960 9.185 15.440 484 H LYS 59 H LYS 59 0.709 9.933 18.939 485 HA LYS 59 HA LYS 59 0.136 7.446 20.435 486 HB2 LYS 59 1HB LYS 59 1.082 9.572 21.381 487 HB3 LYS 59 2HB LYS 59 -0.457 10.373 21.212 488 HG2 LYS 59 1HG LYS 59 0.043 7.857 22.968 489 HG3 LYS 59 2HG LYS 59 0.208 9.497 23.528 490 HD2 LYS 59 1HD LYS 59 -1.948 9.577 24.132 491 HD3 LYS 59 2HD LYS 59 -2.425 9.552 22.453 492 HE2 LYS 59 1HE LYS 59 -2.466 6.955 22.546 493 HE3 LYS 59 2HE LYS 59 -2.025 7.044 24.243 494 HZ1 LYS 59 3HZ LYS 59 -4.630 8.156 23.050 495 HZ2 LYS 59 1HZ LYS 59 -4.463 6.846 24.043 496 HZ3 LYS 59 2HZ LYS 59 -4.162 8.362 24.615 497 H GLU 60 H GLU 60 -2.265 10.054 19.575 498 HA GLU 60 HA GLU 60 -4.516 8.150 19.958 499 HB2 GLU 60 1HB GLU 60 -4.366 11.012 18.912 500 HB3 GLU 60 2HB GLU 60 -5.832 10.087 18.678 501 HG2 GLU 60 1HG GLU 60 -4.560 10.586 21.434 502 HG3 GLU 60 2HG GLU 60 -5.916 11.462 20.769 503 H LEU 61 H LEU 61 -2.698 8.875 16.980 504 HA LEU 61 HA LEU 61 -4.470 7.150 15.327 505 HG LEU 61 HG LEU 61 -3.371 9.772 14.568 506 HB2 LEU 61 1HB LEU 61 -1.543 7.952 14.985 507 HB3 LEU 61 2HB LEU 61 -2.388 6.942 13.849 508 HD11 LEU 61 1HD1 LEU 61 -1.623 8.886 12.189 509 HD12 LEU 61 2HD1 LEU 61 -2.319 10.509 12.418 510 HD13 LEU 61 3HD1 LEU 61 -1.108 9.895 13.562 511 HD21 LEU 61 3HD2 LEU 61 -4.671 9.596 12.411 512 HD22 LEU 61 1HD2 LEU 61 -4.121 7.916 12.196 513 HD23 LEU 61 2HD2 LEU 61 -5.176 8.355 13.562 514 H LEU 62 H LEU 62 -1.631 6.284 17.357 515 HA LEU 62 HA LEU 62 -1.719 3.373 17.012 516 HG LEU 62 HG LEU 62 -1.064 2.327 19.469 517 HB2 LEU 62 1HB LEU 62 0.126 4.461 18.037 518 HB3 LEU 62 2HB LEU 62 -0.812 5.290 19.218 519 HD11 LEU 62 1HD1 LEU 62 1.238 2.124 20.575 520 HD12 LEU 62 2HD1 LEU 62 1.341 2.417 18.823 521 HD13 LEU 62 3HD1 LEU 62 1.651 3.742 19.972 522 HD21 LEU 62 3HD2 LEU 62 -0.382 4.507 21.547 523 HD22 LEU 62 1HD2 LEU 62 -2.005 3.871 21.205 524 HD23 LEU 62 2HD2 LEU 62 -0.777 2.803 21.887 525 H GLU 63 H GLU 63 -3.358 5.187 19.564 526 HA GLU 63 HA GLU 63 -5.175 2.988 20.209 527 HB2 GLU 63 1HB GLU 63 -5.060 5.908 21.018 528 HB3 GLU 63 2HB GLU 63 -6.617 5.151 21.045 529 HG2 GLU 63 1HG GLU 63 -5.680 3.197 22.442 530 HG3 GLU 63 2HG GLU 63 -4.184 4.115 22.603 531 H LEU 64 H LEU 64 -5.864 5.688 17.873 532 HA LEU 64 HA LEU 64 -8.499 4.740 17.095 533 HG LEU 64 HG LEU 64 -8.582 5.238 14.079 534 HB2 LEU 64 1HB LEU 64 -7.413 6.922 16.383 535 HB3 LEU 64 2HB LEU 64 -6.430 6.004 15.261 536 HD11 LEU 64 1HD1 LEU 64 -9.927 7.361 15.896 537 HD12 LEU 64 2HD1 LEU 64 -10.680 6.577 14.488 538 HD13 LEU 64 3HD1 LEU 64 -10.264 5.611 15.909 539 HD21 LEU 64 3HD2 LEU 64 -8.047 8.279 14.232 540 HD22 LEU 64 1HD2 LEU 64 -7.201 7.106 13.190 541 HD23 LEU 64 2HD2 LEU 64 -8.920 7.446 12.921 542 H ILE 65 H ILE 65 -5.383 3.597 15.751 543 HA ILE 65 HA ILE 65 -6.670 1.467 14.103 544 HB ILE 65 HB ILE 65 -3.764 1.672 15.005 545 HG12 ILE 65 1HG1 ILE 65 -4.860 2.258 12.175 546 HG13 ILE 65 2HG1 ILE 65 -4.645 3.518 13.366 547 HG21 ILE 65 1HG2 ILE 65 -5.113 -0.218 12.930 548 HG22 ILE 65 2HG2 ILE 65 -3.347 -0.065 13.132 549 HG23 ILE 65 3HG2 ILE 65 -4.330 -0.685 14.446 550 HD11 ILE 65 3HD1 ILE 65 -2.201 3.099 13.541 551 HD12 ILE 65 1HD1 ILE 65 -2.295 1.759 12.381 552 HD13 ILE 65 2HD1 ILE 65 -2.670 3.407 11.853 553 H ALA 66 H ALA 66 -5.042 1.258 17.414 554 HA ALA 66 HA ALA 66 -5.753 -1.514 17.899 555 HB1 ALA 66 3HB ALA 66 -5.472 0.742 19.974 556 HB2 ALA 66 1HB ALA 66 -5.357 -1.003 20.284 557 HB3 ALA 66 2HB ALA 66 -4.134 -0.202 19.275 558 H ARG 67 H ARG 67 -7.744 1.377 18.729 559 HA ARG 67 HA ARG 67 -10.161 0.078 19.733 560 HE ARG 67 HE ARG 67 -9.105 4.636 22.184 561 HB2 ARG 67 1HB ARG 67 -9.791 2.644 18.071 562 HB3 ARG 67 2HB ARG 67 -11.311 2.208 18.811 563 HG2 ARG 67 1HG ARG 67 -10.531 2.570 21.077 564 HG3 ARG 67 2HG ARG 67 -8.843 2.540 20.609 565 HD2 ARG 67 1HD ARG 67 -9.194 4.653 19.229 566 HD3 ARG 67 2HD ARG 67 -10.854 4.769 19.842 567 HH11 ARG 67 2HH1 ARG 67 -9.455 6.848 19.487 568 HH12 ARG 67 1HH1 ARG 67 -8.522 8.147 20.455 569 HH21 ARG 67 2HH2 ARG 67 -7.962 6.099 23.056 570 HH22 ARG 67 1HH2 ARG 67 -7.804 7.745 22.250 571 H LEU 68 H LEU 68 -9.331 0.796 16.281 572 HA LEU 68 HA LEU 68 -11.674 -0.502 15.068 573 HG LEU 68 HG LEU 68 -10.694 -1.485 12.546 574 HB2 LEU 68 1HB LEU 68 -9.931 1.124 13.994 575 HB3 LEU 68 2HB LEU 68 -8.810 -0.205 13.977 576 HD11 LEU 68 1HD1 LEU 68 -12.056 0.167 11.157 577 HD12 LEU 68 2HD1 LEU 68 -12.569 0.123 12.848 578 HD13 LEU 68 3HD1 LEU 68 -11.572 1.473 12.234 579 HD21 LEU 68 3HD2 LEU 68 -8.486 -0.796 11.630 580 HD22 LEU 68 1HD2 LEU 68 -9.770 -0.479 10.446 581 HD23 LEU 68 2HD2 LEU 68 -9.076 0.863 11.388 582 H LEU 69 H LEU 69 -8.388 -1.809 15.642 583 HA LEU 69 HA LEU 69 -8.778 -4.562 14.705 584 HG LEU 69 HG LEU 69 -6.561 -2.384 14.484 585 HB2 LEU 69 1HB LEU 69 -6.889 -3.446 16.848 586 HB3 LEU 69 2HB LEU 69 -6.738 -5.014 16.092 587 HD11 LEU 69 1HD1 LEU 69 -4.037 -2.977 14.516 588 HD12 LEU 69 2HD1 LEU 69 -4.736 -2.296 15.998 589 HD13 LEU 69 3HD1 LEU 69 -4.403 -4.015 15.915 590 HD21 LEU 69 3HD2 LEU 69 -6.218 -5.308 13.706 591 HD22 LEU 69 1HD2 LEU 69 -7.155 -4.038 12.919 592 HD23 LEU 69 2HD2 LEU 69 -5.382 -4.014 12.820 593 H GLN 70 H GLN 70 -9.174 -3.320 18.049 594 HA GLN 70 HA GLN 70 -10.140 -5.844 19.242 595 HB2 GLN 70 1HB GLN 70 -10.691 -2.902 19.990 596 HB3 GLN 70 2HB GLN 70 -11.225 -4.264 20.959 597 HG2 GLN 70 1HG GLN 70 -8.842 -5.004 21.333 598 HG3 GLN 70 2HG GLN 70 -8.254 -3.692 20.334 599 HE21 GLN 70 1HE2 GLN 70 -8.784 -4.500 23.496 600 HE22 GLN 70 2HE2 GLN 70 -8.811 -2.774 24.141 601 H LYS 71 H LYS 71 -11.944 -3.258 17.527 602 HA LYS 71 HA LYS 71 -14.590 -4.569 17.777 603 HB2 LYS 71 1HB LYS 71 -14.031 -2.077 17.190 604 HB3 LYS 71 2HB LYS 71 -13.784 -2.594 15.552 605 HG2 LYS 71 1HG LYS 71 -16.436 -3.461 16.847 606 HG3 LYS 71 2HG LYS 71 -16.167 -1.748 16.769 607 HD2 LYS 71 1HD LYS 71 -17.416 -2.188 14.860 608 HD3 LYS 71 2HD LYS 71 -15.802 -1.886 14.243 609 HE2 LYS 71 1HE LYS 71 -15.416 -4.343 13.904 610 HE3 LYS 71 2HE LYS 71 -16.940 -4.751 14.700 611 HZ1 LYS 71 3HZ LYS 71 -18.117 -3.488 12.826 612 HZ2 LYS 71 1HZ LYS 71 -16.646 -3.093 12.162 613 HZ3 LYS 71 2HZ LYS 71 -17.094 -4.624 12.156 614 H LEU 72 H LEU 72 -12.099 -4.821 15.154 615 HA LEU 72 HA LEU 72 -13.506 -6.866 13.563 616 HG LEU 72 HG LEU 72 -10.336 -6.139 11.573 617 HB2 LEU 72 1HB LEU 72 -10.497 -6.399 14.028 618 HB3 LEU 72 2HB LEU 72 -11.074 -7.713 13.047 619 HD11 LEU 72 1HD1 LEU 72 -13.398 -5.836 11.430 620 HD12 LEU 72 2HD1 LEU 72 -12.241 -5.660 10.098 621 HD13 LEU 72 3HD1 LEU 72 -12.473 -7.247 10.853 622 HD21 LEU 72 3HD2 LEU 72 -12.091 -3.928 12.777 623 HD22 LEU 72 1HD2 LEU 72 -10.326 -4.097 12.973 624 HD23 LEU 72 2HD2 LEU 72 -11.000 -3.790 11.372 625 H GLY 73 H GLY 73 -11.553 -7.305 16.498 626 HA2 GLY 73 1HA GLY 73 -11.782 -9.294 18.007 627 HA3 GLY 73 2HA GLY 73 -12.447 -10.242 16.701 628 H TYR 74 H TYR 74 -9.429 -8.353 16.729 629 HA TYR 74 HA TYR 74 -7.818 -10.866 16.095 630 HD1 TYR 74 HD1 TYR 74 -5.487 -10.661 14.235 631 HD2 TYR 74 HD2 TYR 74 -8.706 -7.905 13.622 632 HE1 TYR 74 HE1 TYR 74 -5.518 -11.248 11.843 633 HE2 TYR 74 HE2 TYR 74 -8.776 -8.537 11.225 634 HH TYR 74 HH TYR 74 -6.733 -11.154 9.940 635 HB2 TYR 74 1HB TYR 74 -7.330 -7.845 15.760 636 HB3 TYR 74 2HB TYR 74 -5.965 -8.894 15.895 637 H LYS 75 H LYS 75 -6.020 -11.514 17.255 638 HA LYS 75 HA LYS 75 -6.289 -10.913 20.254 639 HB2 LYS 75 1HB LYS 75 -5.483 -13.500 18.815 640 HB3 LYS 75 2HB LYS 75 -5.377 -13.262 20.551 641 HG2 LYS 75 1HG LYS 75 -7.895 -12.749 20.623 642 HG3 LYS 75 2HG LYS 75 -7.980 -13.123 18.901 643 HD2 LYS 75 1HD LYS 75 -7.030 -15.449 19.395 644 HD3 LYS 75 2HD LYS 75 -7.050 -15.071 21.119 645 HE2 LYS 75 1HE LYS 75 -9.560 -14.757 21.072 646 HE3 LYS 75 2HE LYS 75 -9.585 -14.985 19.317 647 HZ1 LYS 75 3HZ LYS 75 -10.055 -17.129 20.580 648 HZ2 LYS 75 1HZ LYS 75 -8.732 -17.271 19.609 649 HZ3 LYS 75 2HZ LYS 75 -8.537 -17.084 21.223 650 H ASP 76 H ASP 76 -3.638 -11.559 17.877 651 HA ASP 76 HA ASP 76 -1.585 -10.703 20.001 652 HB2 ASP 76 1HB ASP 76 -1.106 -12.799 18.755 653 HB3 ASP 76 2HB ASP 76 -1.238 -11.934 17.230 654 H ILE 77 H ILE 77 -2.209 -8.550 20.085 655 HA ILE 77 HA ILE 77 -2.188 -6.834 17.598 656 HB ILE 77 HB ILE 77 -2.528 -5.915 20.490 657 HG12 ILE 77 1HG1 ILE 77 -4.384 -7.422 20.140 658 HG13 ILE 77 2HG1 ILE 77 -4.952 -5.777 20.197 659 HG21 ILE 77 1HG2 ILE 77 -3.612 -3.863 19.502 660 HG22 ILE 77 2HG2 ILE 77 -1.925 -4.026 18.999 661 HG23 ILE 77 3HG2 ILE 77 -3.224 -4.447 17.867 662 HD11 ILE 77 3HD1 ILE 77 -4.707 -7.509 17.643 663 HD12 ILE 77 1HD1 ILE 77 -6.197 -7.006 18.471 664 HD13 ILE 77 2HD1 ILE 77 -5.208 -5.794 17.640 665 H ASN 78 H ASN 78 -0.046 -7.200 16.949 666 HA ASN 78 HA ASN 78 2.176 -6.798 18.869 667 HB2 ASN 78 1HB ASN 78 1.697 -8.662 16.947 668 HB3 ASN 78 2HB ASN 78 2.588 -7.554 15.946 669 HD21 ASN 78 1HD2 ASN 78 2.712 -9.772 18.628 670 HD22 ASN 78 2HD2 ASN 78 4.552 -9.696 18.829 671 H VAL 79 H VAL 79 2.107 -4.633 19.261 672 HA VAL 79 HA VAL 79 2.136 -2.570 17.202 673 HB VAL 79 HB VAL 79 2.474 -2.321 20.244 674 HG11 VAL 79 1HG1 VAL 79 1.656 0.018 20.028 675 HG12 VAL 79 2HG1 VAL 79 3.182 -0.173 19.166 676 HG13 VAL 79 3HG1 VAL 79 1.657 -0.095 18.251 677 HG21 VAL 79 3HG2 VAL 79 0.259 -3.359 19.681 678 HG22 VAL 79 1HG2 VAL 79 0.019 -1.720 20.283 679 HG23 VAL 79 2HG2 VAL 79 -0.109 -2.051 18.541 680 H ARG 80 H ARG 80 3.850 -1.883 16.051 681 HA ARG 80 HA ARG 80 6.609 -1.599 17.389 682 HE ARG 80 HE ARG 80 6.469 -6.512 15.822 683 HB2 ARG 80 1HB ARG 80 5.961 -2.237 14.457 684 HB3 ARG 80 2HB ARG 80 7.565 -2.096 15.153 685 HG2 ARG 80 1HG ARG 80 7.170 -4.130 16.593 686 HG3 ARG 80 2HG ARG 80 5.497 -4.200 16.045 687 HD2 ARG 80 1HD ARG 80 6.410 -4.421 13.611 688 HD3 ARG 80 2HD ARG 80 8.007 -4.727 14.323 689 HH11 ARG 80 2HH1 ARG 80 6.343 -6.044 12.324 690 HH12 ARG 80 1HH1 ARG 80 5.430 -7.661 12.197 691 HH21 ARG 80 2HH2 ARG 80 5.338 -8.189 15.490 692 HH22 ARG 80 1HH2 ARG 80 4.996 -8.701 13.720 693 H VAL 81 H VAL 81 6.577 0.571 17.915 694 HA VAL 81 HA VAL 81 5.669 2.617 15.871 695 HB VAL 81 HB VAL 81 6.543 3.082 18.751 696 HG11 VAL 81 1HG1 VAL 81 5.532 5.386 18.453 697 HG12 VAL 81 2HG1 VAL 81 6.921 5.158 17.386 698 HG13 VAL 81 3HG1 VAL 81 5.278 5.061 16.721 699 HG21 VAL 81 3HG2 VAL 81 4.328 1.863 18.606 700 HG22 VAL 81 1HG2 VAL 81 4.097 3.520 19.179 701 HG23 VAL 81 2HG2 VAL 81 3.703 3.099 17.493 702 H ASN 82 H ASN 82 7.076 3.011 14.328 703 HA ASN 82 HA ASN 82 10.107 3.198 14.925 704 HB2 ASN 82 1HB ASN 82 9.464 1.421 13.312 705 HB3 ASN 82 2HB ASN 82 8.714 2.588 12.251 706 HD21 ASN 82 1HD2 ASN 82 10.066 2.913 10.490 707 HD22 ASN 82 2HD2 ASN 82 11.904 2.970 10.677 708 H GLY 83 H GLY 83 9.694 5.230 15.875 709 HA2 GLY 83 1HA GLY 83 9.910 7.660 15.836 710 HA3 GLY 83 2HA GLY 83 9.966 7.654 14.087 711 H THR 84 H THR 84 8.131 8.130 13.010 712 HA THR 84 HA THR 84 5.471 8.352 14.531 713 HB THR 84 HB THR 84 4.624 9.946 13.022 714 HG1 THR 84 HG1 THR 84 5.577 10.663 11.293 715 HG21 THR 84 3HG2 THR 84 7.399 10.967 13.851 716 HG22 THR 84 1HG2 THR 84 5.990 11.958 13.406 717 HG23 THR 84 2HG2 THR 84 5.947 10.956 14.881 718 H GLU 85 H GLU 85 6.952 6.211 12.412 719 HA GLU 85 HA GLU 85 4.524 5.236 10.942 720 HB2 GLU 85 1HB GLU 85 7.178 3.921 11.693 721 HB3 GLU 85 2HB GLU 85 5.852 2.973 11.059 722 HG2 GLU 85 1HG GLU 85 5.876 4.419 8.928 723 HG3 GLU 85 2HG GLU 85 7.377 5.146 9.519 724 H VAL 86 H VAL 86 2.819 4.790 12.216 725 HA VAL 86 HA VAL 86 3.067 3.148 14.767 726 HB VAL 86 HB VAL 86 0.656 4.281 13.258 727 HG11 VAL 86 1HG1 VAL 86 -0.691 3.919 15.252 728 HG12 VAL 86 2HG1 VAL 86 -0.083 2.361 14.720 729 HG13 VAL 86 3HG1 VAL 86 0.668 3.146 16.127 730 HG21 VAL 86 3HG2 VAL 86 1.967 5.371 15.846 731 HG22 VAL 86 1HG2 VAL 86 2.065 6.137 14.242 732 HG23 VAL 86 2HG2 VAL 86 0.502 6.012 15.063 733 H LYS 87 H LYS 87 4.129 1.316 13.637 734 HA LYS 87 HA LYS 87 2.524 -0.175 11.547 735 HB2 LYS 87 1HB LYS 87 4.822 0.392 11.107 736 HB3 LYS 87 2HB LYS 87 5.412 -0.409 12.544 737 HG2 LYS 87 1HG LYS 87 5.014 -2.610 11.677 738 HG3 LYS 87 2HG LYS 87 3.950 -2.075 10.399 739 HD2 LYS 87 1HD LYS 87 6.859 -1.041 10.478 740 HD3 LYS 87 2HD LYS 87 6.557 -2.677 9.928 741 HE2 LYS 87 1HE LYS 87 5.451 -2.089 7.966 742 HE3 LYS 87 2HE LYS 87 4.756 -0.629 8.610 743 HZ1 LYS 87 3HZ LYS 87 6.793 0.635 8.255 744 HZ2 LYS 87 1HZ LYS 87 7.735 -0.715 8.208 745 HZ3 LYS 87 2HZ LYS 87 6.744 -0.338 6.945 746 H ILE 88 H ILE 88 0.835 -1.113 12.623 747 HA ILE 88 HA ILE 88 1.423 -3.075 14.898 748 HB ILE 88 HB ILE 88 -1.237 -1.854 14.006 749 HG12 ILE 88 1HG1 ILE 88 0.452 -1.175 16.506 750 HG13 ILE 88 2HG1 ILE 88 0.434 -0.196 15.064 751 HG21 ILE 88 1HG2 ILE 88 -2.141 -2.781 16.180 752 HG22 ILE 88 2HG2 ILE 88 -1.582 -4.084 15.137 753 HG23 ILE 88 3HG2 ILE 88 -0.592 -3.568 16.524 754 HD11 ILE 88 3HD1 ILE 88 -2.043 -0.647 16.845 755 HD12 ILE 88 1HD1 ILE 88 -1.063 0.824 16.714 756 HD13 ILE 88 2HD1 ILE 88 -2.011 0.271 15.318 757 H GLU 89 H GLU 89 1.901 -5.035 14.198 758 HA GLU 89 HA GLU 89 0.563 -6.313 11.770 759 HB2 GLU 89 1HB GLU 89 3.060 -6.592 12.104 760 HB3 GLU 89 2HB GLU 89 2.741 -7.440 13.602 761 HG2 GLU 89 1HG GLU 89 1.276 -9.111 12.098 762 HG3 GLU 89 2HG GLU 89 2.073 -8.371 10.726 763 H VAL 90 H VAL 90 -1.472 -6.984 12.296 764 HA VAL 90 HA VAL 90 -1.979 -8.239 15.014 765 HB VAL 90 HB VAL 90 -4.337 -8.289 14.558 766 HG11 VAL 90 1HG1 VAL 90 -3.342 -5.430 14.248 767 HG12 VAL 90 2HG1 VAL 90 -4.758 -6.067 15.145 768 HG13 VAL 90 3HG1 VAL 90 -3.130 -6.362 15.743 769 HG21 VAL 90 3HG2 VAL 90 -5.454 -7.090 12.763 770 HG22 VAL 90 1HG2 VAL 90 -3.907 -6.536 12.066 771 HG23 VAL 90 2HG2 VAL 90 -4.372 -8.261 12.022 772 H ARG 91 H ARG 91 -2.358 -10.258 15.443 773 HA ARG 91 HA ARG 91 -2.792 -12.231 13.134 774 HE ARG 91 HE ARG 91 2.644 -11.729 13.198 775 HB2 ARG 91 1HB ARG 91 -1.242 -13.180 15.559 776 HB3 ARG 91 2HB ARG 91 -1.335 -13.844 13.954 777 HG2 ARG 91 1HG ARG 91 0.026 -11.863 13.061 778 HG3 ARG 91 2HG ARG 91 0.113 -11.222 14.700 779 HD2 ARG 91 1HD ARG 91 1.259 -13.388 15.466 780 HD3 ARG 91 2HD ARG 91 1.294 -13.917 13.795 781 HH11 ARG 91 2HH1 ARG 91 2.582 -12.430 16.663 782 HH12 ARG 91 1HH1 ARG 91 4.345 -11.973 16.772 783 HH21 ARG 91 2HH2 ARG 91 4.474 -11.154 13.431 784 HH22 ARG 91 1HH2 ARG 91 5.380 -11.250 15.031 785 H VAL 92 H VAL 92 -4.270 -13.802 13.330 786 HA VAL 92 HA VAL 92 -6.469 -13.313 15.216 787 HB VAL 92 HB VAL 92 -6.204 -15.724 13.313 788 HG11 VAL 92 1HG1 VAL 92 -8.099 -16.002 14.961 789 HG12 VAL 92 2HG1 VAL 92 -8.745 -14.407 14.518 790 HG13 VAL 92 3HG1 VAL 92 -8.734 -15.735 13.335 791 HG21 VAL 92 3HG2 VAL 92 -6.040 -13.591 11.956 792 HG22 VAL 92 1HG2 VAL 92 -7.534 -14.465 11.627 793 HG23 VAL 92 2HG2 VAL 92 -7.571 -13.024 12.665 Start of MODEL 11 1 H HIS -1 H HIS -1 3.222 18.329 1.132 2 HA HIS -1 HA HIS -1 4.792 16.498 -0.596 3 HD2 HIS -1 HD2 HIS -1 5.384 20.588 -0.032 4 HE1 HIS -1 HE1 HIS -1 8.168 19.366 -2.891 5 HE2 HIS -1 HE2 HIS -1 6.788 21.417 -2.148 6 HB2 HIS -1 1HB HIS -1 5.659 18.439 1.636 7 HB3 HIS -1 2HB HIS -1 6.673 17.128 1.078 8 H MET 0 H MET 0 4.746 16.837 2.979 9 HA MET 0 HA MET 0 4.401 13.887 3.291 10 HB2 MET 0 1HB MET 0 4.495 16.159 5.378 11 HB3 MET 0 2HB MET 0 4.418 14.467 5.774 12 HG2 MET 0 1HG MET 0 6.777 15.741 4.248 13 HG3 MET 0 2HG MET 0 6.735 15.300 5.955 14 HE1 MET 0 3HE MET 0 7.822 12.532 2.546 15 HE2 MET 0 1HE MET 0 6.739 13.922 2.241 16 HE3 MET 0 2HE MET 0 8.366 14.189 2.942 17 H LYS 1 H LYS 1 2.705 12.863 4.547 18 HA LYS 1 HA LYS 1 0.360 14.033 5.406 19 HB2 LYS 1 1HB LYS 1 -1.395 13.429 3.921 20 HB3 LYS 1 2HB LYS 1 -0.363 14.519 3.107 21 HG2 LYS 1 1HG LYS 1 -0.206 11.463 2.627 22 HG3 LYS 1 2HG LYS 1 -1.434 12.423 1.853 23 HD2 LYS 1 1HD LYS 1 1.610 12.777 1.448 24 HD3 LYS 1 2HD LYS 1 0.500 11.959 0.387 25 HE2 LYS 1 1HE LYS 1 0.466 13.943 -0.772 26 HE3 LYS 1 2HE LYS 1 -0.841 14.337 0.335 27 HZ1 LYS 1 3HZ LYS 1 0.901 16.152 0.373 28 HZ2 LYS 1 1HZ LYS 1 0.977 15.391 1.842 29 HZ3 LYS 1 2HZ LYS 1 2.082 15.058 0.716 30 H VAL 2 H VAL 2 -1.550 12.154 5.457 31 HA VAL 2 HA VAL 2 -0.369 10.004 7.190 32 HB VAL 2 HB VAL 2 -3.219 10.836 6.428 33 HG11 VAL 2 1HG1 VAL 2 -2.536 8.297 8.010 34 HG12 VAL 2 2HG1 VAL 2 -4.103 9.122 8.098 35 HG13 VAL 2 3HG1 VAL 2 -3.542 8.451 6.568 36 HG21 VAL 2 3HG2 VAL 2 -2.057 12.194 8.210 37 HG22 VAL 2 1HG2 VAL 2 -3.436 11.309 8.879 38 HG23 VAL 2 2HG2 VAL 2 -1.778 10.727 9.170 39 H ASP 3 H ASP 3 0.930 8.829 5.797 40 HA ASP 3 HA ASP 3 -0.312 7.175 3.588 41 HB2 ASP 3 1HB ASP 3 2.031 8.115 3.461 42 HB3 ASP 3 2HB ASP 3 2.516 7.044 4.771 43 H ILE 4 H ILE 4 -1.958 6.200 4.776 44 HA ILE 4 HA ILE 4 -1.254 4.157 6.905 45 HB ILE 4 HB ILE 4 -3.223 5.687 7.137 46 HG12 ILE 4 1HG1 ILE 4 -2.946 3.707 8.594 47 HG13 ILE 4 2HG1 ILE 4 -4.586 4.259 8.383 48 HG21 ILE 4 1HG2 ILE 4 -4.636 3.876 5.121 49 HG22 ILE 4 2HG2 ILE 4 -5.401 5.132 6.128 50 HG23 ILE 4 3HG2 ILE 4 -4.186 5.578 4.888 51 HD11 ILE 4 3HD1 ILE 4 -5.054 2.330 6.792 52 HD12 ILE 4 1HD1 ILE 4 -3.388 1.752 7.031 53 HD13 ILE 4 2HD1 ILE 4 -4.540 1.798 8.395 54 H THR 5 H THR 5 -0.381 2.433 6.180 55 HA THR 5 HA THR 5 -1.111 1.227 3.463 56 HB THR 5 HB THR 5 1.049 0.084 3.513 57 HG1 THR 5 HG1 THR 5 1.517 1.642 5.841 58 HG21 THR 5 3HG2 THR 5 2.549 2.060 3.191 59 HG22 THR 5 1HG2 THR 5 0.981 2.298 2.389 60 HG23 THR 5 2HG2 THR 5 1.332 3.126 3.919 61 H ILE 6 H ILE 6 -2.439 -0.406 3.479 62 HA ILE 6 HA ILE 6 -2.724 -2.162 5.968 63 HB ILE 6 HB ILE 6 -4.759 -2.011 3.685 64 HG12 ILE 6 1HG1 ILE 6 -6.188 -0.637 5.442 65 HG13 ILE 6 2HG1 ILE 6 -4.655 -0.178 6.150 66 HG21 ILE 6 1HG2 ILE 6 -4.827 -3.983 5.323 67 HG22 ILE 6 2HG2 ILE 6 -5.091 -2.840 6.651 68 HG23 ILE 6 3HG2 ILE 6 -6.296 -2.997 5.352 69 HD11 ILE 6 3HD1 ILE 6 -5.618 1.514 4.487 70 HD12 ILE 6 1HD1 ILE 6 -4.023 0.983 3.975 71 HD13 ILE 6 2HD1 ILE 6 -5.468 0.322 3.181 72 H LYS 7 H LYS 7 -1.035 -3.585 5.572 73 HA LYS 7 HA LYS 7 -0.884 -5.223 3.045 74 HB2 LYS 7 1HB LYS 7 0.663 -5.333 5.691 75 HB3 LYS 7 2HB LYS 7 0.910 -6.443 4.385 76 HG2 LYS 7 1HG LYS 7 2.648 -4.962 4.091 77 HG3 LYS 7 2HG LYS 7 1.527 -4.514 2.831 78 HD2 LYS 7 1HD LYS 7 0.770 -2.497 4.125 79 HD3 LYS 7 2HD LYS 7 1.658 -3.032 5.533 80 HE2 LYS 7 1HE LYS 7 2.969 -1.271 4.578 81 HE3 LYS 7 2HE LYS 7 3.865 -2.760 4.292 82 HZ1 LYS 7 3HZ LYS 7 3.284 -2.758 1.948 83 HZ2 LYS 7 1HZ LYS 7 2.020 -1.715 2.151 84 HZ3 LYS 7 2HZ LYS 7 3.577 -1.170 2.253 85 H ILE 8 H ILE 8 -2.563 -6.565 2.752 86 HA ILE 8 HA ILE 8 -3.825 -8.050 5.120 87 HB ILE 8 HB ILE 8 -4.955 -7.681 2.295 88 HG12 ILE 8 1HG1 ILE 8 -5.760 -6.146 4.838 89 HG13 ILE 8 2HG1 ILE 8 -4.779 -5.488 3.542 90 HG21 ILE 8 1HG2 ILE 8 -6.395 -8.652 4.857 91 HG22 ILE 8 2HG2 ILE 8 -7.111 -8.510 3.238 92 HG23 ILE 8 3HG2 ILE 8 -5.864 -9.722 3.534 93 HD11 ILE 8 3HD1 ILE 8 -7.733 -6.297 3.252 94 HD12 ILE 8 1HD1 ILE 8 -7.038 -4.666 3.210 95 HD13 ILE 8 2HD1 ILE 8 -6.688 -5.811 1.892 96 H GLN 9 H GLN 9 -2.763 -9.942 5.473 97 HA GLN 9 HA GLN 9 -1.569 -11.492 3.196 98 HB2 GLN 9 1HB GLN 9 -1.353 -12.080 6.173 99 HB3 GLN 9 2HB GLN 9 -0.410 -12.799 4.891 100 HG2 GLN 9 1HG GLN 9 0.510 -10.443 4.340 101 HG3 GLN 9 2HG GLN 9 -0.311 -9.831 5.747 102 HE21 GLN 9 1HE2 GLN 9 2.237 -12.079 4.750 103 HE22 GLN 9 2HE2 GLN 9 3.120 -11.937 6.358 104 H ARG 10 H ARG 10 -2.671 -13.077 2.254 105 HA ARG 10 HA ARG 10 -4.557 -14.886 3.919 106 HE ARG 10 HE ARG 10 -5.318 -13.299 -1.025 107 HB2 ARG 10 1HB ARG 10 -4.646 -14.803 0.869 108 HB3 ARG 10 2HB ARG 10 -5.713 -15.588 1.986 109 HG2 ARG 10 1HG ARG 10 -7.086 -13.782 1.570 110 HG3 ARG 10 2HG ARG 10 -6.185 -13.070 2.886 111 HD2 ARG 10 1HD ARG 10 -6.073 -11.340 1.253 112 HD3 ARG 10 2HD ARG 10 -4.532 -12.103 1.052 113 HH11 ARG 10 2HH1 ARG 10 -7.648 -10.999 0.162 114 HH12 ARG 10 1HH1 ARG 10 -8.512 -10.967 -1.451 115 HH21 ARG 10 2HH2 ARG 10 -6.265 -13.253 -2.741 116 HH22 ARG 10 1HH2 ARG 10 -7.751 -12.215 -3.047 117 H ASP 11 H ASP 11 -2.917 -16.073 4.807 118 HA ASP 11 HA ASP 11 -0.685 -17.095 4.848 119 HB2 ASP 11 1HB ASP 11 -2.882 -19.056 4.021 120 HB3 ASP 11 2HB ASP 11 -1.320 -19.552 4.644 121 H GLY 12 H GLY 12 0.254 -15.869 3.059 122 HA2 GLY 12 1HA GLY 12 2.147 -16.750 1.310 123 HA3 GLY 12 2HA GLY 12 0.790 -17.517 0.511 124 H GLN 13 H GLN 13 -1.181 -15.593 0.594 125 HA GLN 13 HA GLN 13 -0.188 -13.756 -1.592 126 HB2 GLN 13 1HB GLN 13 -2.987 -14.099 -0.387 127 HB3 GLN 13 2HB GLN 13 -2.611 -13.069 -1.751 128 HG2 GLN 13 1HG GLN 13 -1.883 -15.087 -3.103 129 HG3 GLN 13 2HG GLN 13 -2.258 -16.131 -1.732 130 HE21 GLN 13 1HE2 GLN 13 -3.594 -17.131 -3.422 131 HE22 GLN 13 2HE2 GLN 13 -5.288 -16.457 -3.680 132 H GLU 14 H GLU 14 1.074 -12.169 -0.668 133 HA GLU 14 HA GLU 14 0.069 -10.421 1.548 134 HB2 GLU 14 1HB GLU 14 2.680 -11.029 0.420 135 HB3 GLU 14 2HB GLU 14 2.455 -9.332 0.154 136 HG2 GLU 14 1HG GLU 14 2.231 -10.762 2.878 137 HG3 GLU 14 2HG GLU 14 3.616 -9.861 2.305 138 H ILE 15 H ILE 15 -1.624 -9.151 1.032 139 HA ILE 15 HA ILE 15 -1.737 -7.729 -1.678 140 HB ILE 15 HB ILE 15 -3.936 -8.111 0.387 141 HG12 ILE 15 1HG1 ILE 15 -3.437 -10.305 -0.473 142 HG13 ILE 15 2HG1 ILE 15 -4.974 -9.767 -1.090 143 HG21 ILE 15 1HG2 ILE 15 -4.164 -7.019 -2.488 144 HG22 ILE 15 2HG2 ILE 15 -5.535 -7.393 -1.413 145 HG23 ILE 15 3HG2 ILE 15 -4.403 -6.104 -0.985 146 HD11 ILE 15 3HD1 ILE 15 -3.860 -9.250 -3.356 147 HD12 ILE 15 1HD1 ILE 15 -2.323 -9.866 -2.695 148 HD13 ILE 15 2HD1 ILE 15 -3.715 -10.957 -2.877 149 H GLU 16 H GLU 16 -0.369 -6.040 -1.411 150 HA GLU 16 HA GLU 16 -0.461 -4.223 0.932 151 HB2 GLU 16 1HB GLU 16 1.127 -3.849 -1.675 152 HB3 GLU 16 2HB GLU 16 1.315 -2.965 -0.179 153 HG2 GLU 16 1HG GLU 16 1.829 -5.418 0.888 154 HG3 GLU 16 2HG GLU 16 2.105 -5.869 -0.774 155 H ILE 17 H ILE 17 -2.062 -2.788 1.133 156 HA ILE 17 HA ILE 17 -2.839 -0.984 -1.261 157 HB ILE 17 HB ILE 17 -4.587 -1.871 1.096 158 HG12 ILE 17 1HG1 ILE 17 -4.995 -2.582 -1.885 159 HG13 ILE 17 2HG1 ILE 17 -4.148 -3.635 -0.777 160 HG21 ILE 17 1HG2 ILE 17 -5.363 -0.103 -1.338 161 HG22 ILE 17 2HG2 ILE 17 -6.483 -0.675 -0.079 162 HG23 ILE 17 3HG2 ILE 17 -5.205 0.466 0.336 163 HD11 ILE 17 3HD1 ILE 17 -7.108 -2.840 -0.458 164 HD12 ILE 17 1HD1 ILE 17 -6.456 -4.424 -0.926 165 HD13 ILE 17 2HD1 ILE 17 -6.179 -3.803 0.718 166 H ASP 18 H ASP 18 -1.781 0.935 -1.017 167 HA ASP 18 HA ASP 18 -1.797 2.323 1.677 168 HB2 ASP 18 1HB ASP 18 -0.379 3.936 0.967 169 HB3 ASP 18 2HB ASP 18 0.251 2.535 0.148 170 H ILE 19 H ILE 19 -3.084 3.998 2.165 171 HA ILE 19 HA ILE 19 -4.283 5.503 -0.162 172 HB ILE 19 HB ILE 19 -6.273 6.315 0.952 173 HG12 ILE 19 1HG1 ILE 19 -5.996 4.022 2.989 174 HG13 ILE 19 2HG1 ILE 19 -5.742 5.724 3.335 175 HG21 ILE 19 1HG2 ILE 19 -6.335 4.529 -0.814 176 HG22 ILE 19 2HG2 ILE 19 -6.325 3.281 0.445 177 HG23 ILE 19 3HG2 ILE 19 -7.706 4.399 0.302 178 HD11 ILE 19 3HD1 ILE 19 -8.438 4.503 2.534 179 HD12 ILE 19 1HD1 ILE 19 -7.977 5.206 4.099 180 HD13 ILE 19 2HD1 ILE 19 -8.134 6.256 2.671 181 H ARG 20 H ARG 20 -2.452 6.655 -0.086 182 HA ARG 20 HA ARG 20 -1.600 8.230 2.199 183 HE ARG 20 HE ARG 20 0.129 6.244 -1.759 184 HB2 ARG 20 1HB ARG 20 0.046 9.208 0.788 185 HB3 ARG 20 2HB ARG 20 -0.094 7.493 0.531 186 HG2 ARG 20 1HG ARG 20 -1.526 8.052 -1.626 187 HG3 ARG 20 2HG ARG 20 -1.045 9.716 -1.375 188 HD2 ARG 20 1HD ARG 20 0.546 8.866 -2.943 189 HD3 ARG 20 2HD ARG 20 1.429 8.924 -1.403 190 HH11 ARG 20 2HH1 ARG 20 2.944 8.088 -2.654 191 HH12 ARG 20 1HH1 ARG 20 3.901 6.577 -3.061 192 HH21 ARG 20 2HH2 ARG 20 1.182 4.552 -2.365 193 HH22 ARG 20 1HH2 ARG 20 2.946 4.683 -2.869 194 H VAL 21 H VAL 21 -3.040 9.464 3.147 195 HA VAL 21 HA VAL 21 -4.890 11.273 1.503 196 HB VAL 21 HB VAL 21 -5.252 9.628 4.067 197 HG11 VAL 21 1HG1 VAL 21 -6.542 11.716 4.501 198 HG12 VAL 21 2HG1 VAL 21 -7.346 11.585 2.919 199 HG13 VAL 21 3HG1 VAL 21 -7.645 10.373 4.185 200 HG21 VAL 21 3HG2 VAL 21 -6.846 9.573 1.400 201 HG22 VAL 21 1HG2 VAL 21 -5.552 8.442 1.819 202 HG23 VAL 21 2HG2 VAL 21 -7.034 8.464 2.782 203 H SER 22 H SER 22 -4.841 13.404 1.749 204 HA SER 22 HA SER 22 -3.839 14.654 4.376 205 HG SER 22 HG SER 22 -4.807 16.490 1.624 206 HB2 SER 22 1HB SER 22 -2.998 16.540 3.159 207 HB3 SER 22 2HB SER 22 -2.404 15.124 2.300 208 H THR 23 H THR 23 -6.041 14.136 5.101 209 HA THR 23 HA THR 23 -8.017 16.394 4.554 210 HB THR 23 HB THR 23 -9.846 14.922 3.956 211 HG1 THR 23 HG1 THR 23 -8.640 13.122 5.228 212 HG21 THR 23 3HG2 THR 23 -9.278 13.956 1.797 213 HG22 THR 23 1HG2 THR 23 -8.397 15.498 1.970 214 HG23 THR 23 2HG2 THR 23 -7.539 13.952 2.177 215 H GLY 24 H GLY 24 -9.586 16.692 6.136 216 HA2 GLY 24 1HA GLY 24 -9.145 15.563 8.868 217 HA3 GLY 24 2HA GLY 24 -10.415 16.675 8.431 218 H LYS 25 H LYS 25 -12.494 15.807 7.929 219 HA LYS 25 HA LYS 25 -12.953 13.062 9.047 220 HB2 LYS 25 1HB LYS 25 -15.056 15.034 8.009 221 HB3 LYS 25 2HB LYS 25 -15.378 13.519 8.822 222 HG2 LYS 25 1HG LYS 25 -14.194 16.045 10.082 223 HG3 LYS 25 2HG LYS 25 -15.717 15.248 10.416 224 HD2 LYS 25 1HD LYS 25 -14.021 13.159 11.098 225 HD3 LYS 25 2HD LYS 25 -12.885 14.466 11.254 226 HE2 LYS 25 1HE LYS 25 -13.681 14.363 13.455 227 HE3 LYS 25 2HE LYS 25 -14.742 15.628 12.833 228 HZ1 LYS 25 3HZ LYS 25 -16.359 13.655 12.265 229 HZ2 LYS 25 1HZ LYS 25 -15.382 12.640 13.006 230 HZ3 LYS 25 2HZ LYS 25 -16.127 13.821 13.910 231 H GLU 26 H GLU 26 -12.487 13.959 5.791 232 HA GLU 26 HA GLU 26 -13.714 11.541 4.568 233 HB2 GLU 26 1HB GLU 26 -11.288 13.204 3.727 234 HB3 GLU 26 2HB GLU 26 -11.966 11.926 2.754 235 HG2 GLU 26 1HG GLU 26 -14.053 13.155 2.350 236 HG3 GLU 26 2HG GLU 26 -13.695 14.352 3.585 237 H LEU 27 H LEU 27 -10.661 12.037 6.321 238 HA LEU 27 HA LEU 27 -9.596 9.277 5.930 239 HG LEU 27 HG LEU 27 -8.179 9.163 8.835 240 HB2 LEU 27 1HB LEU 27 -8.139 11.213 6.531 241 HB3 LEU 27 2HB LEU 27 -9.002 11.426 8.037 242 HD11 LEU 27 1HD1 LEU 27 -6.431 9.209 6.274 243 HD12 LEU 27 2HD1 LEU 27 -6.266 8.067 7.631 244 HD13 LEU 27 3HD1 LEU 27 -7.723 8.035 6.631 245 HD21 LEU 27 3HD2 LEU 27 -5.885 9.952 9.332 246 HD22 LEU 27 1HD2 LEU 27 -5.955 11.142 8.005 247 HD23 LEU 27 2HD2 LEU 27 -7.010 11.315 9.428 248 H GLU 28 H GLU 28 -11.604 10.753 8.491 249 HA GLU 28 HA GLU 28 -12.160 8.353 10.098 250 HB2 GLU 28 1HB GLU 28 -12.680 10.683 10.796 251 HB3 GLU 28 2HB GLU 28 -13.846 10.853 9.494 252 HG2 GLU 28 1HG GLU 28 -15.300 9.043 10.591 253 HG3 GLU 28 2HG GLU 28 -14.153 8.986 11.932 254 H ARG 29 H ARG 29 -14.044 9.654 7.304 255 HA ARG 29 HA ARG 29 -15.773 7.274 7.059 256 HE ARG 29 HE ARG 29 -18.709 11.065 7.387 257 HB2 ARG 29 1HB ARG 29 -15.124 9.378 4.918 258 HB3 ARG 29 2HB ARG 29 -16.388 8.175 4.790 259 HG2 ARG 29 1HG ARG 29 -16.291 10.489 6.819 260 HG3 ARG 29 2HG ARG 29 -17.322 10.369 5.399 261 HD2 ARG 29 1HD ARG 29 -18.468 8.318 6.426 262 HD3 ARG 29 2HD ARG 29 -17.443 8.494 7.867 263 HH11 ARG 29 2HH1 ARG 29 -19.546 7.839 8.495 264 HH12 ARG 29 1HH1 ARG 29 -21.004 8.462 9.408 265 HH21 ARG 29 2HH2 ARG 29 -20.368 11.715 8.484 266 HH22 ARG 29 1HH2 ARG 29 -21.418 10.553 9.414 267 H ALA 30 H ALA 30 -12.737 8.015 5.253 268 HA ALA 30 HA ALA 30 -12.723 5.469 3.794 269 HB1 ALA 30 3HB ALA 30 -10.381 6.013 3.321 270 HB2 ALA 30 1HB ALA 30 -11.359 7.478 3.167 271 HB3 ALA 30 2HB ALA 30 -10.336 7.247 4.609 272 H LEU 31 H LEU 31 -11.227 6.209 7.018 273 HA LEU 31 HA LEU 31 -10.353 3.445 7.538 274 HG LEU 31 HG LEU 31 -10.681 3.279 10.571 275 HB2 LEU 31 1HB LEU 31 -9.591 5.540 8.779 276 HB3 LEU 31 2HB LEU 31 -11.162 5.609 9.546 277 HD11 LEU 31 1HD1 LEU 31 -8.891 2.436 9.045 278 HD12 LEU 31 2HD1 LEU 31 -7.827 3.801 9.470 279 HD13 LEU 31 3HD1 LEU 31 -8.240 2.571 10.684 280 HD21 LEU 31 3HD2 LEU 31 -10.402 5.369 11.892 281 HD22 LEU 31 1HD2 LEU 31 -9.142 4.199 12.323 282 HD23 LEU 31 2HD2 LEU 31 -8.745 5.584 11.276 283 H GLN 32 H GLN 32 -13.499 5.019 8.334 284 HA GLN 32 HA GLN 32 -14.880 2.669 9.371 285 HB2 GLN 32 1HB GLN 32 -15.584 5.049 9.535 286 HB3 GLN 32 2HB GLN 32 -15.866 5.129 7.802 287 HG2 GLN 32 1HG GLN 32 -17.785 3.614 7.944 288 HG3 GLN 32 2HG GLN 32 -17.430 3.187 9.606 289 HE21 GLN 32 1HE2 GLN 32 -18.315 4.478 11.183 290 HE22 GLN 32 2HE2 GLN 32 -19.236 6.032 10.836 291 H GLU 33 H GLU 33 -14.640 3.682 5.894 292 HA GLU 33 HA GLU 33 -15.893 1.188 4.914 293 HB2 GLU 33 1HB GLU 33 -15.817 3.308 3.604 294 HB3 GLU 33 2HB GLU 33 -14.083 3.125 3.387 295 HG2 GLU 33 1HG GLU 33 -15.321 2.374 1.361 296 HG3 GLU 33 2HG GLU 33 -14.453 1.017 2.054 297 H LEU 34 H LEU 34 -12.383 1.973 5.368 298 HA LEU 34 HA LEU 34 -11.357 -0.668 4.629 299 HG LEU 34 HG LEU 34 -10.162 2.063 4.226 300 HB2 LEU 34 1HB LEU 34 -10.306 1.304 6.721 301 HB3 LEU 34 2HB LEU 34 -9.434 -0.132 6.256 302 HD11 LEU 34 1HD1 LEU 34 -8.691 3.045 5.948 303 HD12 LEU 34 2HD1 LEU 34 -7.579 1.657 5.874 304 HD13 LEU 34 3HD1 LEU 34 -7.733 2.761 4.488 305 HD21 LEU 34 3HD2 LEU 34 -9.687 -0.140 3.142 306 HD22 LEU 34 1HD2 LEU 34 -8.372 1.001 2.826 307 HD23 LEU 34 2HD2 LEU 34 -8.155 -0.285 4.038 308 H GLU 35 H GLU 35 -12.557 0.360 7.849 309 HA GLU 35 HA GLU 35 -12.380 -2.198 9.231 310 HB2 GLU 35 1HB GLU 35 -12.958 0.138 10.138 311 HB3 GLU 35 2HB GLU 35 -14.559 -0.017 9.487 312 HG2 GLU 35 1HG GLU 35 -13.453 -2.142 11.447 313 HG3 GLU 35 2HG GLU 35 -14.010 -0.585 12.037 314 H LYS 36 H LYS 36 -15.201 -0.952 7.415 315 HA LYS 36 HA LYS 36 -16.761 -3.392 7.212 316 HB2 LYS 36 1HB LYS 36 -17.505 -1.062 6.738 317 HB3 LYS 36 2HB LYS 36 -16.506 -0.975 5.312 318 HG2 LYS 36 1HG LYS 36 -18.920 -2.883 5.629 319 HG3 LYS 36 2HG LYS 36 -18.976 -1.262 4.967 320 HD2 LYS 36 1HD LYS 36 -16.991 -2.245 3.315 321 HD3 LYS 36 2HD LYS 36 -17.722 -3.765 3.762 322 HE2 LYS 36 1HE LYS 36 -18.817 -3.186 1.733 323 HE3 LYS 36 2HE LYS 36 -20.031 -2.786 2.957 324 HZ1 LYS 36 3HZ LYS 36 -19.130 -0.373 2.828 325 HZ2 LYS 36 1HZ LYS 36 -18.029 -0.776 1.806 326 HZ3 LYS 36 2HZ LYS 36 -19.617 -0.840 1.312 327 H ALA 37 H ALA 37 -14.300 -2.269 4.779 328 HA ALA 37 HA ALA 37 -14.382 -4.688 3.141 329 HB1 ALA 37 3HB ALA 37 -12.241 -3.826 2.194 330 HB2 ALA 37 1HB ALA 37 -13.405 -2.501 2.403 331 HB3 ALA 37 2HB ALA 37 -12.060 -2.696 3.554 332 H LEU 38 H LEU 38 -12.129 -3.991 5.884 333 HA LEU 38 HA LEU 38 -10.824 -6.644 5.883 334 HG LEU 38 HG LEU 38 -9.564 -3.955 6.224 335 HB2 LEU 38 1HB LEU 38 -11.236 -4.581 8.120 336 HB3 LEU 38 2HB LEU 38 -10.312 -6.043 8.361 337 HD11 LEU 38 1HD1 LEU 38 -8.472 -4.280 9.100 338 HD12 LEU 38 2HD1 LEU 38 -7.818 -3.186 7.855 339 HD13 LEU 38 3HD1 LEU 38 -9.455 -2.928 8.483 340 HD21 LEU 38 3HD2 LEU 38 -7.974 -6.334 7.423 341 HD22 LEU 38 1HD2 LEU 38 -8.565 -6.203 5.749 342 HD23 LEU 38 2HD2 LEU 38 -7.304 -5.104 6.326 343 H ALA 39 H ALA 39 -13.688 -5.520 7.806 344 HA ALA 39 HA ALA 39 -14.260 -8.135 9.006 345 HB1 ALA 39 3HB ALA 39 -16.151 -5.765 8.383 346 HB2 ALA 39 1HB ALA 39 -16.482 -7.093 9.522 347 HB3 ALA 39 2HB ALA 39 -15.163 -5.951 9.848 348 H ARG 40 H ARG 40 -15.497 -6.791 5.916 349 HA ARG 40 HA ARG 40 -16.971 -9.242 5.147 350 HE ARG 40 HE ARG 40 -19.150 -8.789 0.731 351 HB2 ARG 40 1HB ARG 40 -17.254 -6.856 4.217 352 HB3 ARG 40 2HB ARG 40 -15.749 -7.071 3.335 353 HG2 ARG 40 1HG ARG 40 -16.843 -9.080 2.117 354 HG3 ARG 40 2HG ARG 40 -18.328 -8.761 3.019 355 HD2 ARG 40 1HD ARG 40 -18.360 -6.380 2.002 356 HD3 ARG 40 2HD ARG 40 -16.912 -6.820 1.065 357 HH11 ARG 40 2HH1 ARG 40 -17.901 -5.790 -0.511 358 HH12 ARG 40 1HH1 ARG 40 -18.798 -5.986 -2.095 359 HH21 ARG 40 2HH2 ARG 40 -20.153 -8.979 -1.068 360 HH22 ARG 40 1HH2 ARG 40 -20.012 -7.716 -2.372 361 H ALA 41 H ALA 41 -13.587 -8.302 4.522 362 HA ALA 41 HA ALA 41 -12.998 -10.701 2.859 363 HB1 ALA 41 3HB ALA 41 -11.784 -8.544 2.564 364 HB2 ALA 41 1HB ALA 41 -11.091 -8.674 4.196 365 HB3 ALA 41 2HB ALA 41 -10.643 -9.853 2.942 366 H GLY 42 H GLY 42 -12.042 -9.956 6.272 367 HA2 GLY 42 1HA GLY 42 -11.488 -11.471 8.064 368 HA3 GLY 42 2HA GLY 42 -12.270 -12.729 7.138 369 H ALA 43 H ALA 43 -9.178 -10.924 7.129 370 HA ALA 43 HA ALA 43 -7.732 -13.391 6.096 371 HB1 ALA 43 3HB ALA 43 -7.440 -11.225 4.903 372 HB2 ALA 43 1HB ALA 43 -6.790 -10.465 6.381 373 HB3 ALA 43 2HB ALA 43 -5.891 -11.768 5.579 374 H ARG 44 H ARG 44 -5.898 -14.262 6.980 375 HA ARG 44 HA ARG 44 -5.909 -14.563 9.880 376 HE ARG 44 HE ARG 44 -2.666 -17.935 11.555 377 HB2 ARG 44 1HB ARG 44 -5.240 -16.339 8.133 378 HB3 ARG 44 2HB ARG 44 -3.723 -15.492 7.923 379 HG2 ARG 44 1HG ARG 44 -3.363 -15.795 10.532 380 HG3 ARG 44 2HG ARG 44 -4.770 -16.868 10.488 381 HD2 ARG 44 1HD ARG 44 -3.620 -18.338 8.817 382 HD3 ARG 44 2HD ARG 44 -2.234 -17.230 8.757 383 HH11 ARG 44 2HH1 ARG 44 -1.620 -19.532 8.547 384 HH12 ARG 44 1HH1 ARG 44 -0.797 -20.852 9.523 385 HH21 ARG 44 2HH2 ARG 44 -1.724 -19.473 12.538 386 HH22 ARG 44 1HH2 ARG 44 -0.863 -20.821 11.653 387 H ASN 45 H ASN 45 -3.345 -12.990 7.876 388 HA ASN 45 HA ASN 45 -2.383 -11.597 10.441 389 HB2 ASN 45 1HB ASN 45 -0.548 -12.272 8.091 390 HB3 ASN 45 2HB ASN 45 -0.138 -11.335 9.506 391 HD21 ASN 45 1HD2 ASN 45 1.578 -13.018 9.231 392 HD22 ASN 45 2HD2 ASN 45 1.310 -14.594 10.145 393 H VAL 46 H VAL 46 -2.641 -9.444 10.370 394 HA VAL 46 HA VAL 46 -2.746 -8.027 7.664 395 HB VAL 46 HB VAL 46 -4.695 -7.252 9.880 396 HG11 VAL 46 1HG1 VAL 46 -4.527 -6.341 6.904 397 HG12 VAL 46 2HG1 VAL 46 -5.645 -5.710 8.143 398 HG13 VAL 46 3HG1 VAL 46 -3.906 -5.391 8.252 399 HG21 VAL 46 3HG2 VAL 46 -6.558 -8.055 8.396 400 HG22 VAL 46 1HG2 VAL 46 -5.371 -8.718 7.236 401 HG23 VAL 46 2HG2 VAL 46 -5.516 -9.401 8.868 402 H GLN 47 H GLN 47 -1.046 -6.745 7.669 403 HA GLN 47 HA GLN 47 0.003 -5.673 10.353 404 HB2 GLN 47 1HB GLN 47 2.195 -6.008 9.775 405 HB3 GLN 47 2HB GLN 47 1.334 -7.494 9.553 406 HG2 GLN 47 1HG GLN 47 1.418 -7.208 7.030 407 HG3 GLN 47 2HG GLN 47 2.247 -5.668 7.237 408 HE21 GLN 47 1HE2 GLN 47 2.676 -9.155 7.461 409 HE22 GLN 47 2HE2 GLN 47 4.508 -9.002 7.565 410 H ILE 48 H ILE 48 -0.871 -3.766 10.516 411 HA ILE 48 HA ILE 48 -1.182 -1.972 8.106 412 HB ILE 48 HB ILE 48 -2.292 -1.612 10.954 413 HG12 ILE 48 1HG1 ILE 48 -4.588 -2.031 9.566 414 HG13 ILE 48 2HG1 ILE 48 -3.550 -2.919 8.470 415 HG21 ILE 48 1HG2 ILE 48 -2.135 0.582 9.746 416 HG22 ILE 48 2HG2 ILE 48 -3.025 -0.109 8.367 417 HG23 ILE 48 3HG2 ILE 48 -3.818 0.098 9.955 418 HD11 ILE 48 3HD1 ILE 48 -2.913 -4.468 10.396 419 HD12 ILE 48 1HD1 ILE 48 -3.817 -3.441 11.518 420 HD13 ILE 48 2HD1 ILE 48 -4.672 -4.348 10.254 421 H THR 49 H THR 49 -0.001 -0.040 7.832 422 HA THR 49 HA THR 49 1.882 0.817 10.087 423 HB THR 49 HB THR 49 3.018 0.554 7.260 424 HG1 THR 49 HG1 THR 49 2.465 -1.407 8.421 425 HG21 THR 49 3HG2 THR 49 4.359 1.139 9.984 426 HG22 THR 49 1HG2 THR 49 5.221 0.811 8.464 427 HG23 THR 49 2HG2 THR 49 4.217 2.264 8.623 428 H ILE 50 H ILE 50 1.362 2.810 10.514 429 HA ILE 50 HA ILE 50 0.590 4.715 8.247 430 HB ILE 50 HB ILE 50 -1.197 4.163 9.823 431 HG12 ILE 50 1HG1 ILE 50 -1.465 6.104 8.470 432 HG13 ILE 50 2HG1 ILE 50 -2.159 6.381 10.046 433 HG21 ILE 50 1HG2 ILE 50 -1.425 5.167 12.043 434 HG22 ILE 50 2HG2 ILE 50 -0.080 4.019 12.000 435 HG23 ILE 50 3HG2 ILE 50 0.245 5.772 11.992 436 HD11 ILE 50 3HD1 ILE 50 0.257 7.711 8.742 437 HD12 ILE 50 1HD1 ILE 50 -1.080 8.461 9.631 438 HD13 ILE 50 2HD1 ILE 50 0.213 7.644 10.518 439 H SER 51 H SER 51 2.232 5.912 7.640 440 HA SER 51 HA SER 51 4.378 6.955 9.505 441 HG SER 51 HG SER 51 4.971 9.222 7.587 442 HB2 SER 51 1HB SER 51 4.940 6.400 7.168 443 HB3 SER 51 2HB SER 51 3.779 7.587 6.561 444 H ALA 52 H ALA 52 3.314 8.146 11.096 445 HA ALA 52 HA ALA 52 1.265 10.193 10.382 446 HB1 ALA 52 3HB ALA 52 1.040 8.729 12.399 447 HB2 ALA 52 1HB ALA 52 2.491 9.446 13.117 448 HB3 ALA 52 2HB ALA 52 1.048 10.442 12.864 449 H GLU 53 H GLU 53 1.286 12.358 10.738 450 HA GLU 53 HA GLU 53 3.746 13.825 10.173 451 HB2 GLU 53 1HB GLU 53 1.037 14.960 11.082 452 HB3 GLU 53 2HB GLU 53 2.334 15.876 10.352 453 HG2 GLU 53 1HG GLU 53 0.738 13.660 8.894 454 HG3 GLU 53 2HG GLU 53 0.462 15.388 8.755 455 H ASN 54 H ASN 54 1.962 13.511 13.230 456 HA ASN 54 HA ASN 54 4.264 14.893 14.728 457 HB2 ASN 54 1HB ASN 54 1.237 15.378 15.224 458 HB3 ASN 54 2HB ASN 54 2.508 15.892 16.309 459 HD21 ASN 54 1HD2 ASN 54 0.873 16.705 13.389 460 HD22 ASN 54 2HD2 ASN 54 1.848 18.255 13.132 461 H ASP 55 H ASP 55 4.526 14.274 16.942 462 HA ASP 55 HA ASP 55 4.185 11.438 17.522 463 HB2 ASP 55 1HB ASP 55 5.234 11.982 19.694 464 HB3 ASP 55 2HB ASP 55 6.123 12.583 18.318 465 H GLU 56 H GLU 56 2.370 14.207 18.995 466 HA GLU 56 HA GLU 56 0.464 12.545 20.438 467 HB2 GLU 56 1HB GLU 56 0.008 15.342 19.239 468 HB3 GLU 56 2HB GLU 56 -1.130 14.514 20.283 469 HG2 GLU 56 1HG GLU 56 0.694 14.377 22.114 470 HG3 GLU 56 2HG GLU 56 1.716 15.394 21.103 471 H GLN 57 H GLN 57 0.303 13.475 17.025 472 HA GLN 57 HA GLN 57 -2.277 12.081 16.432 473 HB2 GLN 57 1HB GLN 57 0.038 12.851 14.540 474 HB3 GLN 57 2HB GLN 57 -1.460 12.105 14.016 475 HG2 GLN 57 1HG GLN 57 -2.803 14.067 14.914 476 HG3 GLN 57 2HG GLN 57 -1.326 14.838 15.446 477 HE21 GLN 57 1HE2 GLN 57 -3.263 14.118 12.653 478 HE22 GLN 57 2HE2 GLN 57 -2.242 15.154 11.518 479 H ALA 58 H ALA 58 1.158 11.001 16.202 480 HA ALA 58 HA ALA 58 0.650 8.199 15.536 481 HB1 ALA 58 3HB ALA 58 2.945 7.840 16.499 482 HB2 ALA 58 1HB ALA 58 2.906 9.279 15.461 483 HB3 ALA 58 2HB ALA 58 2.915 9.448 17.229 484 H LYS 59 H LYS 59 0.766 9.677 18.826 485 HA LYS 59 HA LYS 59 -0.076 7.304 20.343 486 HB2 LYS 59 1HB LYS 59 0.827 9.436 21.345 487 HB3 LYS 59 2HB LYS 59 -0.606 10.284 20.838 488 HG2 LYS 59 1HG LYS 59 -1.700 8.151 22.385 489 HG3 LYS 59 2HG LYS 59 -0.186 8.442 23.202 490 HD2 LYS 59 1HD LYS 59 -0.759 10.850 23.529 491 HD3 LYS 59 2HD LYS 59 -2.170 10.732 22.504 492 HE2 LYS 59 1HE LYS 59 -1.856 9.205 25.189 493 HE3 LYS 59 2HE LYS 59 -2.659 10.767 25.011 494 HZ1 LYS 59 3HZ LYS 59 -4.173 9.550 23.266 495 HZ2 LYS 59 1HZ LYS 59 -3.561 8.122 23.785 496 HZ3 LYS 59 2HZ LYS 59 -4.410 9.040 24.815 497 H GLU 60 H GLU 60 -2.236 9.899 18.999 498 HA GLU 60 HA GLU 60 -4.768 8.561 19.588 499 HB2 GLU 60 1HB GLU 60 -4.104 10.528 17.310 500 HB3 GLU 60 2HB GLU 60 -5.723 9.981 17.703 501 HG2 GLU 60 1HG GLU 60 -5.499 10.997 20.043 502 HG3 GLU 60 2HG GLU 60 -3.923 11.647 19.575 503 H LEU 61 H LEU 61 -2.898 8.398 16.520 504 HA LEU 61 HA LEU 61 -4.615 6.394 15.218 505 HG LEU 61 HG LEU 61 -3.657 8.829 14.099 506 HB2 LEU 61 1HB LEU 61 -1.679 7.180 14.811 507 HB3 LEU 61 2HB LEU 61 -2.468 6.006 13.792 508 HD11 LEU 61 1HD1 LEU 61 -1.522 7.880 12.099 509 HD12 LEU 61 2HD1 LEU 61 -2.413 9.419 11.978 510 HD13 LEU 61 3HD1 LEU 61 -1.326 9.125 13.350 511 HD21 LEU 61 3HD2 LEU 61 -4.668 8.299 11.846 512 HD22 LEU 61 1HD2 LEU 61 -3.922 6.683 11.871 513 HD23 LEU 61 2HD2 LEU 61 -5.180 7.109 13.055 514 H LEU 62 H LEU 62 -1.741 5.842 17.309 515 HA LEU 62 HA LEU 62 -1.740 2.917 17.191 516 HG LEU 62 HG LEU 62 -1.134 2.714 20.501 517 HB2 LEU 62 1HB LEU 62 0.100 4.250 18.138 518 HB3 LEU 62 2HB LEU 62 -0.939 4.910 19.378 519 HD11 LEU 62 1HD1 LEU 62 0.334 0.780 19.828 520 HD12 LEU 62 2HD1 LEU 62 -0.885 1.117 18.602 521 HD13 LEU 62 3HD1 LEU 62 0.799 1.632 18.331 522 HD21 LEU 62 3HD2 LEU 62 1.794 3.528 19.917 523 HD22 LEU 62 1HD2 LEU 62 0.720 4.290 21.116 524 HD23 LEU 62 2HD2 LEU 62 1.225 2.604 21.331 525 H GLU 63 H GLU 63 -3.463 4.998 19.578 526 HA GLU 63 HA GLU 63 -5.109 2.834 20.723 527 HB2 GLU 63 1HB GLU 63 -5.377 5.896 20.670 528 HB3 GLU 63 2HB GLU 63 -6.568 4.896 21.468 529 HG2 GLU 63 1HG GLU 63 -5.040 4.074 23.149 530 HG3 GLU 63 2HG GLU 63 -3.615 4.536 22.230 531 H LEU 64 H LEU 64 -5.952 5.148 18.079 532 HA LEU 64 HA LEU 64 -8.599 4.022 17.603 533 HG LEU 64 HG LEU 64 -8.994 4.745 14.625 534 HB2 LEU 64 1HB LEU 64 -7.732 6.323 16.948 535 HB3 LEU 64 2HB LEU 64 -6.803 5.563 15.679 536 HD11 LEU 64 1HD1 LEU 64 -10.516 4.797 16.615 537 HD12 LEU 64 2HD1 LEU 64 -10.300 6.560 16.773 538 HD13 LEU 64 3HD1 LEU 64 -11.138 5.876 15.357 539 HD21 LEU 64 3HD2 LEU 64 -9.586 7.016 13.714 540 HD22 LEU 64 1HD2 LEU 64 -8.686 7.800 15.035 541 HD23 LEU 64 2HD2 LEU 64 -7.829 6.815 13.828 542 H ILE 65 H ILE 65 -5.541 3.188 15.841 543 HA ILE 65 HA ILE 65 -6.844 1.073 14.192 544 HB ILE 65 HB ILE 65 -3.881 1.332 14.876 545 HG12 ILE 65 1HG1 ILE 65 -5.206 2.152 12.214 546 HG13 ILE 65 2HG1 ILE 65 -4.887 3.290 13.502 547 HG21 ILE 65 1HG2 ILE 65 -3.475 -0.227 12.922 548 HG22 ILE 65 2HG2 ILE 65 -4.516 -1.025 14.091 549 HG23 ILE 65 3HG2 ILE 65 -5.225 -0.344 12.617 550 HD11 ILE 65 3HD1 ILE 65 -2.406 2.798 13.423 551 HD12 ILE 65 1HD1 ILE 65 -2.672 1.680 12.067 552 HD13 ILE 65 2HD1 ILE 65 -3.041 3.401 11.873 553 H ALA 66 H ALA 66 -5.100 0.906 17.401 554 HA ALA 66 HA ALA 66 -5.556 -1.932 17.895 555 HB1 ALA 66 3HB ALA 66 -4.022 -0.530 19.275 556 HB2 ALA 66 1HB ALA 66 -5.395 0.398 19.916 557 HB3 ALA 66 2HB ALA 66 -5.221 -1.331 20.305 558 H ARG 67 H ARG 67 -7.739 0.796 18.817 559 HA ARG 67 HA ARG 67 -9.998 -0.801 19.726 560 HE ARG 67 HE ARG 67 -14.139 2.152 20.085 561 HB2 ARG 67 1HB ARG 67 -9.633 1.690 19.982 562 HB3 ARG 67 2HB ARG 67 -9.973 1.916 18.275 563 HG2 ARG 67 1HG ARG 67 -12.337 1.018 18.653 564 HG3 ARG 67 2HG ARG 67 -11.963 0.789 20.367 565 HD2 ARG 67 1HD ARG 67 -11.502 3.271 20.612 566 HD3 ARG 67 2HD ARG 67 -11.822 3.505 18.878 567 HH11 ARG 67 2HH1 ARG 67 -12.634 5.290 20.073 568 HH12 ARG 67 1HH1 ARG 67 -14.216 6.143 20.407 569 HH21 ARG 67 2HH2 ARG 67 -15.924 3.150 20.469 570 HH22 ARG 67 1HH2 ARG 67 -15.981 4.963 20.621 571 H LEU 68 H LEU 68 -9.282 0.179 16.327 572 HA LEU 68 HA LEU 68 -11.533 -1.195 15.018 573 HG LEU 68 HG LEU 68 -11.348 -1.475 12.636 574 HB2 LEU 68 1HB LEU 68 -10.084 0.538 14.043 575 HB3 LEU 68 2HB LEU 68 -8.734 -0.561 13.966 576 HD11 LEU 68 1HD1 LEU 68 -9.540 0.729 11.500 577 HD12 LEU 68 2HD1 LEU 68 -10.791 -0.150 10.579 578 HD13 LEU 68 3HD1 LEU 68 -11.259 0.868 11.962 579 HD21 LEU 68 3HD2 LEU 68 -9.346 -2.991 12.497 580 HD22 LEU 68 1HD2 LEU 68 -9.780 -2.384 10.896 581 HD23 LEU 68 2HD2 LEU 68 -8.383 -1.692 11.757 582 H LEU 69 H LEU 69 -8.185 -2.409 15.573 583 HA LEU 69 HA LEU 69 -8.749 -5.155 14.636 584 HG LEU 69 HG LEU 69 -6.531 -2.973 14.141 585 HB2 LEU 69 1HB LEU 69 -6.450 -4.189 16.390 586 HB3 LEU 69 2HB LEU 69 -6.518 -5.721 15.544 587 HD11 LEU 69 1HD1 LEU 69 -4.190 -4.947 14.342 588 HD12 LEU 69 2HD1 LEU 69 -4.187 -3.323 13.636 589 HD13 LEU 69 3HD1 LEU 69 -4.393 -3.511 15.377 590 HD21 LEU 69 3HD2 LEU 69 -6.105 -4.205 12.036 591 HD22 LEU 69 1HD2 LEU 69 -6.230 -5.771 12.874 592 HD23 LEU 69 2HD2 LEU 69 -7.644 -4.712 12.721 593 H GLN 70 H GLN 70 -8.806 -3.852 17.967 594 HA GLN 70 HA GLN 70 -9.755 -6.285 19.318 595 HB2 GLN 70 1HB GLN 70 -8.878 -4.173 20.394 596 HB3 GLN 70 2HB GLN 70 -10.296 -3.293 19.845 597 HG2 GLN 70 1HG GLN 70 -11.756 -4.843 21.291 598 HG3 GLN 70 2HG GLN 70 -10.301 -5.654 21.848 599 HE21 GLN 70 1HE2 GLN 70 -9.108 -4.588 23.494 600 HE22 GLN 70 2HE2 GLN 70 -9.673 -2.979 24.193 601 H LYS 71 H LYS 71 -11.708 -3.658 17.730 602 HA LYS 71 HA LYS 71 -14.306 -4.998 17.993 603 HB2 LYS 71 1HB LYS 71 -14.043 -2.609 17.517 604 HB3 LYS 71 2HB LYS 71 -13.299 -2.904 15.967 605 HG2 LYS 71 1HG LYS 71 -16.142 -3.959 16.530 606 HG3 LYS 71 2HG LYS 71 -15.903 -2.249 16.216 607 HD2 LYS 71 1HD LYS 71 -14.989 -2.630 13.969 608 HD3 LYS 71 2HD LYS 71 -14.775 -4.323 14.247 609 HE2 LYS 71 1HE LYS 71 -16.651 -4.373 12.907 610 HE3 LYS 71 2HE LYS 71 -17.383 -4.560 14.500 611 HZ1 LYS 71 3HZ LYS 71 -17.132 -2.015 12.849 612 HZ2 LYS 71 1HZ LYS 71 -18.549 -2.779 13.186 613 HZ3 LYS 71 2HZ LYS 71 -17.727 -1.983 14.395 614 H LEU 72 H LEU 72 -12.016 -5.200 15.208 615 HA LEU 72 HA LEU 72 -13.405 -7.349 13.769 616 HG LEU 72 HG LEU 72 -10.555 -6.152 11.562 617 HB2 LEU 72 1HB LEU 72 -10.526 -6.329 13.922 618 HB3 LEU 72 2HB LEU 72 -10.752 -7.897 13.249 619 HD11 LEU 72 1HD1 LEU 72 -11.686 -8.350 11.068 620 HD12 LEU 72 2HD1 LEU 72 -13.272 -7.600 11.387 621 HD13 LEU 72 3HD1 LEU 72 -12.253 -7.023 10.049 622 HD21 LEU 72 3HD2 LEU 72 -12.422 -4.622 10.961 623 HD22 LEU 72 1HD2 LEU 72 -13.349 -5.137 12.384 624 HD23 LEU 72 2HD2 LEU 72 -11.817 -4.253 12.590 625 H GLY 73 H GLY 73 -11.082 -7.676 16.449 626 HA2 GLY 73 1HA GLY 73 -11.305 -9.563 18.090 627 HA3 GLY 73 2HA GLY 73 -11.979 -10.596 16.854 628 H TYR 74 H TYR 74 -8.965 -8.672 16.688 629 HA TYR 74 HA TYR 74 -7.395 -11.193 16.037 630 HD1 TYR 74 HD2 TYR 74 -8.511 -8.018 14.065 631 HD2 TYR 74 HD1 TYR 74 -5.333 -10.891 13.722 632 HE1 TYR 74 HE2 TYR 74 -9.064 -8.376 11.676 633 HE2 TYR 74 HE1 TYR 74 -5.879 -11.205 11.346 634 HH TYR 74 HH TYR 74 -7.462 -10.857 9.743 635 HB2 TYR 74 1HB TYR 74 -6.707 -8.199 15.869 636 HB3 TYR 74 2HB TYR 74 -5.497 -9.429 15.720 637 H LYS 75 H LYS 75 -6.410 -12.290 17.559 638 HA LYS 75 HA LYS 75 -6.187 -11.256 20.342 639 HB2 LYS 75 1HB LYS 75 -5.421 -14.004 19.207 640 HB3 LYS 75 2HB LYS 75 -5.433 -13.606 20.903 641 HG2 LYS 75 1HG LYS 75 -7.938 -13.577 19.095 642 HG3 LYS 75 2HG LYS 75 -7.445 -14.900 20.141 643 HD2 LYS 75 1HD LYS 75 -7.675 -13.362 22.187 644 HD3 LYS 75 2HD LYS 75 -8.143 -12.055 21.124 645 HE2 LYS 75 1HE LYS 75 -10.203 -12.832 22.006 646 HE3 LYS 75 2HE LYS 75 -10.179 -13.374 20.333 647 HZ1 LYS 75 3HZ LYS 75 -10.854 -15.223 21.881 648 HZ2 LYS 75 1HZ LYS 75 -9.435 -15.625 21.155 649 HZ3 LYS 75 2HZ LYS 75 -9.435 -15.107 22.708 650 H ASP 76 H ASP 76 -3.605 -12.210 18.004 651 HA ASP 76 HA ASP 76 -1.486 -11.525 20.107 652 HB2 ASP 76 1HB ASP 76 -1.265 -12.787 17.320 653 HB3 ASP 76 2HB ASP 76 0.120 -12.328 18.287 654 H ILE 77 H ILE 77 -1.323 -9.368 20.182 655 HA ILE 77 HA ILE 77 -1.351 -7.694 17.615 656 HB ILE 77 HB ILE 77 -2.016 -6.866 20.495 657 HG12 ILE 77 1HG1 ILE 77 -4.152 -7.153 18.283 658 HG13 ILE 77 2HG1 ILE 77 -3.758 -8.495 19.321 659 HG21 ILE 77 1HG2 ILE 77 -2.520 -5.293 17.880 660 HG22 ILE 77 2HG2 ILE 77 -2.956 -4.753 19.516 661 HG23 ILE 77 3HG2 ILE 77 -1.255 -4.914 19.078 662 HD11 ILE 77 3HD1 ILE 77 -4.847 -5.799 20.337 663 HD12 ILE 77 1HD1 ILE 77 -5.712 -7.347 20.228 664 HD13 ILE 77 2HD1 ILE 77 -4.366 -7.170 21.376 665 H ASN 78 H ASN 78 0.781 -7.685 17.030 666 HA ASN 78 HA ASN 78 2.931 -6.967 19.040 667 HB2 ASN 78 1HB ASN 78 3.217 -8.865 17.466 668 HB3 ASN 78 2HB ASN 78 3.103 -7.809 16.084 669 HD21 ASN 78 1HD2 ASN 78 4.825 -6.182 15.870 670 HD22 ASN 78 2HD2 ASN 78 6.464 -6.552 16.634 671 H VAL 79 H VAL 79 2.958 -4.853 19.516 672 HA VAL 79 HA VAL 79 2.552 -2.672 17.479 673 HB VAL 79 HB VAL 79 3.153 -2.607 20.487 674 HG11 VAL 79 1HG1 VAL 79 4.045 -0.497 19.546 675 HG12 VAL 79 2HG1 VAL 79 2.532 -0.202 18.649 676 HG13 VAL 79 3HG1 VAL 79 2.556 -0.161 20.432 677 HG21 VAL 79 3HG2 VAL 79 0.548 -1.941 18.928 678 HG22 VAL 79 1HG2 VAL 79 0.815 -3.400 19.904 679 HG23 VAL 79 2HG2 VAL 79 0.768 -1.818 20.691 680 H ARG 80 H ARG 80 4.124 -2.130 16.124 681 HA ARG 80 HA ARG 80 7.091 -2.292 16.986 682 HE ARG 80 HE ARG 80 6.847 -6.251 13.220 683 HB2 ARG 80 1HB ARG 80 6.149 -4.197 15.505 684 HB3 ARG 80 2HB ARG 80 5.906 -3.021 14.234 685 HG2 ARG 80 1HG ARG 80 8.436 -2.514 14.349 686 HG3 ARG 80 2HG ARG 80 8.602 -3.779 15.551 687 HD2 ARG 80 1HD ARG 80 7.730 -4.090 12.605 688 HD3 ARG 80 2HD ARG 80 9.277 -4.529 13.247 689 HH11 ARG 80 2HH1 ARG 80 9.754 -5.712 15.038 690 HH12 ARG 80 1HH1 ARG 80 9.866 -7.482 15.508 691 HH21 ARG 80 2HH2 ARG 80 6.899 -8.204 13.855 692 HH22 ARG 80 1HH2 ARG 80 8.326 -8.810 14.833 693 H VAL 81 H VAL 81 6.721 0.009 17.557 694 HA VAL 81 HA VAL 81 6.094 1.908 15.309 695 HB VAL 81 HB VAL 81 6.534 2.519 18.276 696 HG11 VAL 81 1HG1 VAL 81 5.317 4.696 17.798 697 HG12 VAL 81 2HG1 VAL 81 6.852 4.606 16.937 698 HG13 VAL 81 3HG1 VAL 81 5.342 4.329 16.056 699 HG21 VAL 81 3HG2 VAL 81 4.044 2.700 18.457 700 HG22 VAL 81 1HG2 VAL 81 3.848 2.228 16.752 701 HG23 VAL 81 2HG2 VAL 81 4.495 1.074 17.923 702 H ASN 82 H ASN 82 7.521 3.056 14.183 703 HA ASN 82 HA ASN 82 10.386 3.486 15.261 704 HB2 ASN 82 1HB ASN 82 10.257 2.067 13.188 705 HB3 ASN 82 2HB ASN 82 9.521 3.389 12.307 706 HD21 ASN 82 1HD2 ASN 82 11.028 4.585 11.137 707 HD22 ASN 82 2HD2 ASN 82 12.810 4.661 11.639 708 H GLY 83 H GLY 83 9.544 5.202 16.526 709 HA2 GLY 83 1HA GLY 83 9.452 7.591 16.958 710 HA3 GLY 83 2HA GLY 83 9.799 7.908 15.274 711 H THR 84 H THR 84 8.114 8.332 13.916 712 HA THR 84 HA THR 84 5.269 8.441 15.047 713 HB THR 84 HB THR 84 4.572 10.072 13.518 714 HG1 THR 84 HG1 THR 84 5.588 10.708 11.840 715 HG21 THR 84 3HG2 THR 84 5.800 12.106 14.108 716 HG22 THR 84 1HG2 THR 84 5.682 11.052 15.540 717 HG23 THR 84 2HG2 THR 84 7.212 11.159 14.634 718 H GLU 85 H GLU 85 7.175 6.544 12.970 719 HA GLU 85 HA GLU 85 4.967 5.657 11.131 720 HB2 GLU 85 1HB GLU 85 7.668 4.375 11.732 721 HB3 GLU 85 2HB GLU 85 6.544 3.809 10.518 722 HG2 GLU 85 1HG GLU 85 6.857 5.913 9.166 723 HG3 GLU 85 2HG GLU 85 7.910 6.583 10.415 724 H VAL 86 H VAL 86 3.302 4.981 12.365 725 HA VAL 86 HA VAL 86 3.718 3.081 14.709 726 HB VAL 86 HB VAL 86 1.247 4.596 13.759 727 HG11 VAL 86 1HG1 VAL 86 1.409 2.763 16.246 728 HG12 VAL 86 2HG1 VAL 86 0.051 3.821 15.782 729 HG13 VAL 86 3HG1 VAL 86 0.454 2.426 14.782 730 HG21 VAL 86 3HG2 VAL 86 2.971 5.989 14.965 731 HG22 VAL 86 1HG2 VAL 86 1.467 5.840 15.889 732 HG23 VAL 86 2HG2 VAL 86 2.893 4.889 16.362 733 H LYS 87 H LYS 87 4.238 1.139 13.852 734 HA LYS 87 HA LYS 87 2.264 -0.219 12.007 735 HB2 LYS 87 1HB LYS 87 4.739 -0.413 11.584 736 HB3 LYS 87 2HB LYS 87 4.895 -1.319 13.076 737 HG2 LYS 87 1HG LYS 87 3.262 -3.057 12.198 738 HG3 LYS 87 2HG LYS 87 3.095 -2.137 10.713 739 HD2 LYS 87 1HD LYS 87 5.678 -2.435 10.368 740 HD3 LYS 87 2HD LYS 87 5.656 -3.468 11.811 741 HE2 LYS 87 1HE LYS 87 3.709 -4.788 10.561 742 HE3 LYS 87 2HE LYS 87 4.212 -3.933 9.101 743 HZ1 LYS 87 3HZ LYS 87 5.715 -5.943 10.771 744 HZ2 LYS 87 1HZ LYS 87 5.462 -5.940 9.124 745 HZ3 LYS 87 2HZ LYS 87 6.591 -4.908 9.784 746 H ILE 88 H ILE 88 0.550 -1.225 12.860 747 HA ILE 88 HA ILE 88 0.986 -2.915 15.396 748 HB ILE 88 HB ILE 88 -1.752 -2.131 14.330 749 HG12 ILE 88 1HG1 ILE 88 -0.150 -0.948 16.700 750 HG13 ILE 88 2HG1 ILE 88 -0.594 -0.113 15.224 751 HG21 ILE 88 1HG2 ILE 88 -0.812 -3.580 16.920 752 HG22 ILE 88 2HG2 ILE 88 -2.490 -3.116 16.578 753 HG23 ILE 88 3HG2 ILE 88 -1.695 -4.327 15.569 754 HD11 ILE 88 3HD1 ILE 88 -2.463 -0.937 17.494 755 HD12 ILE 88 1HD1 ILE 88 -2.213 0.668 16.769 756 HD13 ILE 88 2HD1 ILE 88 -3.103 -0.586 15.878 757 H GLU 89 H GLU 89 1.611 -4.801 14.889 758 HA GLU 89 HA GLU 89 0.954 -6.155 12.228 759 HB2 GLU 89 1HB GLU 89 3.299 -5.518 12.840 760 HB3 GLU 89 2HB GLU 89 3.197 -6.458 14.311 761 HG2 GLU 89 1HG GLU 89 3.020 -8.589 12.949 762 HG3 GLU 89 2HG GLU 89 3.140 -7.661 11.455 763 H VAL 90 H VAL 90 -1.069 -7.081 12.694 764 HA VAL 90 HA VAL 90 -1.293 -8.873 15.130 765 HB VAL 90 HB VAL 90 -3.709 -9.143 14.552 766 HG11 VAL 90 1HG1 VAL 90 -4.378 -6.933 15.582 767 HG12 VAL 90 2HG1 VAL 90 -3.099 -7.811 16.416 768 HG13 VAL 90 3HG1 VAL 90 -2.681 -6.398 15.415 769 HG21 VAL 90 3HG2 VAL 90 -4.938 -7.510 13.253 770 HG22 VAL 90 1HG2 VAL 90 -3.454 -6.672 12.749 771 HG23 VAL 90 2HG2 VAL 90 -3.797 -8.333 12.183 772 H ARG 91 H ARG 91 -1.622 -10.972 15.140 773 HA ARG 91 HA ARG 91 -2.053 -12.445 12.493 774 HE ARG 91 HE ARG 91 -0.462 -15.299 17.306 775 HB2 ARG 91 1HB ARG 91 -0.406 -14.083 12.764 776 HB3 ARG 91 2HB ARG 91 0.364 -12.544 12.984 777 HG2 ARG 91 1HG ARG 91 1.412 -13.673 14.681 778 HG3 ARG 91 2HG ARG 91 0.065 -13.073 15.609 779 HD2 ARG 91 1HD ARG 91 -1.127 -15.392 14.981 780 HD3 ARG 91 2HD ARG 91 0.431 -15.941 14.430 781 HH11 ARG 91 2HH1 ARG 91 2.211 -16.339 15.331 782 HH12 ARG 91 1HH1 ARG 91 3.242 -16.706 16.802 783 HH21 ARG 91 2HH2 ARG 91 0.768 -15.528 18.909 784 HH22 ARG 91 1HH2 ARG 91 2.413 -16.315 18.750 785 H VAL 92 H VAL 92 -3.562 -13.970 12.476 786 HA VAL 92 HA VAL 92 -4.825 -14.929 15.063 787 HB VAL 92 HB VAL 92 -5.619 -15.551 12.164 788 HG11 VAL 92 1HG1 VAL 92 -7.262 -15.958 14.759 789 HG12 VAL 92 2HG1 VAL 92 -7.840 -16.235 13.101 790 HG13 VAL 92 3HG1 VAL 92 -6.562 -17.265 13.764 791 HG21 VAL 92 3HG2 VAL 92 -5.935 -13.111 12.681 792 HG22 VAL 92 1HG2 VAL 92 -7.478 -13.920 12.425 793 HG23 VAL 92 2HG2 VAL 92 -6.950 -13.508 14.079 Start of MODEL 12 1 H HIS -1 H HIS -1 5.004 20.371 2.465 2 HA HIS -1 HA HIS -1 4.895 19.021 0.526 3 HD2 HIS -1 HD2 HIS -1 7.869 20.412 3.328 4 HE1 HIS -1 HE1 HIS -1 8.818 21.850 -0.473 5 HE2 HIS -1 HE2 HIS -1 9.088 22.405 2.033 6 HB2 HIS -1 1HB HIS -1 6.929 17.998 2.609 7 HB3 HIS -1 2HB HIS -1 6.994 17.592 0.910 8 H MET 0 H MET 0 4.941 16.771 3.319 9 HA MET 0 HA MET 0 3.421 14.719 1.599 10 HB2 MET 0 1HB MET 0 5.316 14.294 3.999 11 HB3 MET 0 2HB MET 0 4.275 13.033 3.374 12 HG2 MET 0 1HG MET 0 5.356 13.167 1.103 13 HG3 MET 0 2HG MET 0 6.446 14.439 1.691 14 HE1 MET 0 3HE MET 0 7.336 11.589 0.390 15 HE2 MET 0 1HE MET 0 8.452 12.910 0.859 16 HE3 MET 0 2HE MET 0 8.744 11.242 1.437 17 H LYS 1 H LYS 1 1.867 13.386 2.713 18 HA LYS 1 HA LYS 1 0.467 14.630 5.115 19 HB2 LYS 1 1HB LYS 1 -0.859 14.079 2.386 20 HB3 LYS 1 2HB LYS 1 -1.817 14.134 3.835 21 HG2 LYS 1 1HG LYS 1 -0.028 16.477 2.956 22 HG3 LYS 1 2HG LYS 1 -1.697 16.318 2.489 23 HD2 LYS 1 1HD LYS 1 -2.548 16.983 4.504 24 HD3 LYS 1 2HD LYS 1 -1.452 16.045 5.474 25 HE2 LYS 1 1HE LYS 1 -0.602 18.710 4.117 26 HE3 LYS 1 2HE LYS 1 -1.323 18.619 5.727 27 HZ1 LYS 1 3HZ LYS 1 1.235 17.153 4.986 28 HZ2 LYS 1 1HZ LYS 1 1.159 18.477 5.975 29 HZ3 LYS 1 2HZ LYS 1 0.523 17.047 6.425 30 H VAL 2 H VAL 2 -1.648 12.845 5.362 31 HA VAL 2 HA VAL 2 -0.123 10.880 6.910 32 HB VAL 2 HB VAL 2 -3.138 11.300 6.506 33 HG11 VAL 2 1HG1 VAL 2 -2.842 8.982 7.244 34 HG12 VAL 2 2HG1 VAL 2 -1.764 9.487 8.568 35 HG13 VAL 2 3HG1 VAL 2 -3.499 9.937 8.576 36 HG21 VAL 2 3HG2 VAL 2 -1.982 13.224 7.709 37 HG22 VAL 2 1HG2 VAL 2 -3.106 12.354 8.765 38 HG23 VAL 2 2HG2 VAL 2 -1.352 12.083 8.915 39 H ASP 3 H ASP 3 0.713 9.052 6.153 40 HA ASP 3 HA ASP 3 -0.476 7.535 3.799 41 HB2 ASP 3 1HB ASP 3 1.983 8.135 3.919 42 HB3 ASP 3 2HB ASP 3 2.149 7.136 5.351 43 H ILE 4 H ILE 4 -2.057 6.155 4.328 44 HA ILE 4 HA ILE 4 -1.709 4.262 6.731 45 HB ILE 4 HB ILE 4 -4.192 4.066 5.010 46 HG12 ILE 4 1HG1 ILE 4 -4.364 6.430 5.446 47 HG13 ILE 4 2HG1 ILE 4 -5.618 5.500 6.219 48 HG21 ILE 4 1HG2 ILE 4 -5.223 3.152 7.053 49 HG22 ILE 4 2HG2 ILE 4 -3.672 2.331 6.779 50 HG23 ILE 4 3HG2 ILE 4 -3.802 3.575 8.031 51 HD11 ILE 4 3HD1 ILE 4 -4.877 7.313 7.738 52 HD12 ILE 4 1HD1 ILE 4 -4.439 5.767 8.476 53 HD13 ILE 4 2HD1 ILE 4 -3.193 6.749 7.657 54 H THR 5 H THR 5 -0.140 2.827 5.940 55 HA THR 5 HA THR 5 -0.602 1.493 3.219 56 HB THR 5 HB THR 5 1.899 1.901 4.898 57 HG1 THR 5 HG1 THR 5 1.477 3.585 3.448 58 HG21 THR 5 3HG2 THR 5 3.165 0.685 3.109 59 HG22 THR 5 1HG2 THR 5 2.121 -0.444 4.001 60 HG23 THR 5 2HG2 THR 5 1.645 0.124 2.376 61 H ILE 6 H ILE 6 -1.989 -0.079 3.418 62 HA ILE 6 HA ILE 6 -1.928 -1.979 5.812 63 HB ILE 6 HB ILE 6 -4.153 -1.691 3.717 64 HG12 ILE 6 1HG1 ILE 6 -5.405 -0.554 5.812 65 HG13 ILE 6 2HG1 ILE 6 -3.787 -0.076 6.289 66 HG21 ILE 6 1HG2 ILE 6 -4.179 -3.854 4.990 67 HG22 ILE 6 2HG2 ILE 6 -4.288 -2.981 6.520 68 HG23 ILE 6 3HG2 ILE 6 -5.601 -2.866 5.327 69 HD11 ILE 6 3HD1 ILE 6 -5.059 0.537 3.513 70 HD12 ILE 6 1HD1 ILE 6 -4.999 1.668 4.882 71 HD13 ILE 6 2HD1 ILE 6 -3.516 1.155 4.109 72 H LYS 7 H LYS 7 -0.605 -3.697 5.374 73 HA LYS 7 HA LYS 7 -0.761 -5.162 2.684 74 HB2 LYS 7 1HB LYS 7 1.029 -5.460 5.144 75 HB3 LYS 7 2HB LYS 7 1.009 -6.651 3.883 76 HG2 LYS 7 1HG LYS 7 1.435 -3.818 2.863 77 HG3 LYS 7 2HG LYS 7 2.647 -4.356 3.999 78 HD2 LYS 7 1HD LYS 7 2.952 -6.502 2.583 79 HD3 LYS 7 2HD LYS 7 1.835 -5.829 1.405 80 HE2 LYS 7 1HE LYS 7 3.481 -3.792 1.151 81 HE3 LYS 7 2HE LYS 7 4.586 -4.641 2.251 82 HZ1 LYS 7 3HZ LYS 7 4.249 -6.675 0.617 83 HZ2 LYS 7 1HZ LYS 7 3.654 -5.545 -0.498 84 HZ3 LYS 7 2HZ LYS 7 5.206 -5.441 0.047 85 H ILE 8 H ILE 8 -2.679 -6.215 2.601 86 HA ILE 8 HA ILE 8 -3.723 -7.795 4.983 87 HB ILE 8 HB ILE 8 -5.027 -7.575 2.225 88 HG12 ILE 8 1HG1 ILE 8 -5.703 -5.948 4.767 89 HG13 ILE 8 2HG1 ILE 8 -4.835 -5.315 3.376 90 HG21 ILE 8 1HG2 ILE 8 -6.252 -8.447 4.937 91 HG22 ILE 8 2HG2 ILE 8 -7.080 -8.423 3.365 92 HG23 ILE 8 3HG2 ILE 8 -5.775 -9.577 3.645 93 HD11 ILE 8 3HD1 ILE 8 -6.840 -5.731 1.882 94 HD12 ILE 8 1HD1 ILE 8 -7.774 -6.231 3.318 95 HD13 ILE 8 2HD1 ILE 8 -7.146 -4.578 3.202 96 H GLN 9 H GLN 9 -2.263 -9.453 5.263 97 HA GLN 9 HA GLN 9 -1.705 -11.396 2.972 98 HB2 GLN 9 1HB GLN 9 0.168 -10.347 4.381 99 HB3 GLN 9 2HB GLN 9 -0.413 -11.283 5.744 100 HG2 GLN 9 1HG GLN 9 -0.068 -13.413 4.329 101 HG3 GLN 9 2HG GLN 9 0.586 -12.445 3.028 102 HE21 GLN 9 1HE2 GLN 9 2.703 -11.132 3.655 103 HE22 GLN 9 2HE2 GLN 9 3.727 -12.021 4.879 104 H ARG 10 H ARG 10 -3.722 -12.263 2.829 105 HA ARG 10 HA ARG 10 -5.095 -13.482 5.168 106 HE ARG 10 HE ARG 10 -5.191 -14.132 -1.082 107 HB2 ARG 10 1HB ARG 10 -6.970 -13.951 3.875 108 HB3 ARG 10 2HB ARG 10 -6.423 -12.365 3.416 109 HG2 ARG 10 1HG ARG 10 -6.041 -14.952 1.741 110 HG3 ARG 10 2HG ARG 10 -7.335 -13.797 1.550 111 HD2 ARG 10 1HD ARG 10 -5.502 -11.971 1.030 112 HD3 ARG 10 2HD ARG 10 -4.345 -13.276 1.024 113 HH11 ARG 10 2HH1 ARG 10 -7.423 -11.766 0.107 114 HH12 ARG 10 1HH1 ARG 10 -8.231 -11.605 -1.531 115 HH21 ARG 10 2HH2 ARG 10 -5.983 -13.843 -2.902 116 HH22 ARG 10 1HH2 ARG 10 -7.459 -12.786 -3.161 117 H ASP 11 H ASP 11 -3.462 -14.771 2.649 118 HA ASP 11 HA ASP 11 -2.522 -17.030 4.263 119 HB2 ASP 11 1HB ASP 11 -4.561 -18.074 3.050 120 HB3 ASP 11 2HB ASP 11 -3.711 -17.850 1.526 121 H GLY 12 H GLY 12 -1.198 -18.060 1.652 122 HA2 GLY 12 1HA GLY 12 1.194 -16.289 1.667 123 HA3 GLY 12 2HA GLY 12 0.905 -17.548 0.492 124 H GLN 13 H GLN 13 -0.958 -14.613 1.029 125 HA GLN 13 HA GLN 13 -0.047 -13.327 -1.607 126 HB2 GLN 13 1HB GLN 13 -2.956 -14.099 -0.931 127 HB3 GLN 13 2HB GLN 13 -2.561 -12.893 -2.145 128 HG2 GLN 13 1HG GLN 13 -1.343 -14.552 -3.528 129 HG3 GLN 13 2HG GLN 13 -1.533 -15.791 -2.293 130 HE21 GLN 13 1HE2 GLN 13 -2.281 -16.437 -4.701 131 HE22 GLN 13 2HE2 GLN 13 -4.107 -16.667 -4.664 132 H GLU 14 H GLU 14 0.785 -11.567 -0.516 133 HA GLU 14 HA GLU 14 -0.956 -10.040 1.430 134 HB2 GLU 14 1HB GLU 14 0.922 -8.664 1.966 135 HB3 GLU 14 2HB GLU 14 1.202 -10.362 2.248 136 HG2 GLU 14 1HG GLU 14 2.712 -10.535 0.264 137 HG3 GLU 14 2HG GLU 14 2.356 -8.871 -0.195 138 H ILE 15 H ILE 15 -2.319 -8.622 0.742 139 HA ILE 15 HA ILE 15 -1.857 -7.093 -1.874 140 HB ILE 15 HB ILE 15 -4.423 -7.442 -0.221 141 HG12 ILE 15 1HG1 ILE 15 -5.265 -8.458 -2.483 142 HG13 ILE 15 2HG1 ILE 15 -3.590 -8.551 -2.989 143 HG21 ILE 15 1HG2 ILE 15 -4.062 -5.878 -2.870 144 HG22 ILE 15 2HG2 ILE 15 -5.614 -6.215 -2.061 145 HG23 ILE 15 3HG2 ILE 15 -4.430 -5.168 -1.286 146 HD11 ILE 15 3HD1 ILE 15 -4.588 -10.719 -2.069 147 HD12 ILE 15 1HD1 ILE 15 -3.135 -10.241 -1.185 148 HD13 ILE 15 2HD1 ILE 15 -4.739 -9.958 -0.464 149 H GLU 16 H GLU 16 -0.531 -5.385 -1.479 150 HA GLU 16 HA GLU 16 -0.833 -3.656 0.910 151 HB2 GLU 16 1HB GLU 16 0.903 -2.220 -0.078 152 HB3 GLU 16 2HB GLU 16 1.347 -3.856 0.299 153 HG2 GLU 16 1HG GLU 16 0.652 -3.069 -2.596 154 HG3 GLU 16 2HG GLU 16 2.251 -2.772 -1.923 155 H ILE 17 H ILE 17 -2.225 -2.183 1.156 156 HA ILE 17 HA ILE 17 -3.303 -0.476 -1.199 157 HB ILE 17 HB ILE 17 -4.739 -1.006 1.461 158 HG12 ILE 17 1HG1 ILE 17 -5.538 -2.142 -1.299 159 HG13 ILE 17 2HG1 ILE 17 -4.675 -3.058 -0.082 160 HG21 ILE 17 1HG2 ILE 17 -5.793 0.418 -1.089 161 HG22 ILE 17 2HG2 ILE 17 -6.692 0.178 0.429 162 HG23 ILE 17 3HG2 ILE 17 -5.288 1.241 0.400 163 HD11 ILE 17 3HD1 ILE 17 -7.029 -3.657 0.086 164 HD12 ILE 17 1HD1 ILE 17 -6.582 -2.775 1.565 165 HD13 ILE 17 2HD1 ILE 17 -7.531 -1.967 0.291 166 H ASP 18 H ASP 18 -1.819 1.230 -1.148 167 HA ASP 18 HA ASP 18 -1.194 2.550 1.490 168 HB2 ASP 18 1HB ASP 18 0.717 3.446 0.504 169 HB3 ASP 18 2HB ASP 18 0.671 1.714 0.382 170 H ILE 19 H ILE 19 -2.750 3.816 2.068 171 HA ILE 19 HA ILE 19 -4.113 5.681 0.086 172 HB ILE 19 HB ILE 19 -4.936 5.274 3.010 173 HG12 ILE 19 1HG1 ILE 19 -5.987 3.645 0.619 174 HG13 ILE 19 2HG1 ILE 19 -5.010 3.042 1.947 175 HG21 ILE 19 1HG2 ILE 19 -5.840 7.342 1.816 176 HG22 ILE 19 2HG2 ILE 19 -6.578 6.292 0.581 177 HG23 ILE 19 3HG2 ILE 19 -7.119 6.225 2.275 178 HD11 ILE 19 3HD1 ILE 19 -7.288 2.378 2.413 179 HD12 ILE 19 1HD1 ILE 19 -6.856 3.635 3.597 180 HD13 ILE 19 2HD1 ILE 19 -7.909 4.029 2.215 181 H ARG 20 H ARG 20 -3.028 7.554 -0.155 182 HA ARG 20 HA ARG 20 -1.723 8.924 2.250 183 HE ARG 20 HE ARG 20 2.647 6.984 1.110 184 HB2 ARG 20 1HB ARG 20 -1.164 9.206 -0.748 185 HB3 ARG 20 2HB ARG 20 -0.456 10.247 0.487 186 HG2 ARG 20 1HG ARG 20 0.501 8.223 1.687 187 HG3 ARG 20 2HG ARG 20 -0.190 7.173 0.463 188 HD2 ARG 20 1HD ARG 20 1.292 8.412 -1.307 189 HD3 ARG 20 2HD ARG 20 2.040 9.272 0.036 190 HH11 ARG 20 2HH1 ARG 20 1.518 6.635 -2.195 191 HH12 ARG 20 1HH1 ARG 20 1.852 4.815 -1.998 192 HH21 ARG 20 2HH2 ARG 20 2.966 5.124 1.121 193 HH22 ARG 20 1HH2 ARG 20 2.663 4.080 -0.396 194 H VAL 21 H VAL 21 -2.581 10.612 3.115 195 HA VAL 21 HA VAL 21 -3.810 12.614 3.430 196 HB VAL 21 HB VAL 21 -5.255 12.316 0.774 197 HG11 VAL 21 1HG1 VAL 21 -6.286 14.550 1.306 198 HG12 VAL 21 2HG1 VAL 21 -6.839 13.302 2.424 199 HG13 VAL 21 3HG1 VAL 21 -5.619 14.483 2.957 200 HG21 VAL 21 3HG2 VAL 21 -3.277 14.466 1.797 201 HG22 VAL 21 1HG2 VAL 21 -2.867 13.184 0.633 202 HG23 VAL 21 2HG2 VAL 21 -4.058 14.426 0.192 203 H SER 22 H SER 22 -4.587 11.773 5.172 204 HA SER 22 HA SER 22 -7.413 10.823 5.179 205 HG SER 22 HG SER 22 -6.361 9.101 3.876 206 HB2 SER 22 1HB SER 22 -5.184 8.920 6.109 207 HB3 SER 22 2HB SER 22 -6.863 8.750 6.623 208 H THR 23 H THR 23 -7.698 12.752 6.151 209 HA THR 23 HA THR 23 -6.235 13.407 8.731 210 HB THR 23 HB THR 23 -5.763 14.902 7.003 211 HG1 THR 23 HG1 THR 23 -6.744 16.844 7.981 212 HG21 THR 23 3HG2 THR 23 -8.736 15.686 6.673 213 HG22 THR 23 1HG2 THR 23 -7.337 16.478 5.909 214 HG23 THR 23 2HG2 THR 23 -7.752 14.820 5.467 215 H GLY 24 H GLY 24 -9.619 14.088 7.694 216 HA2 GLY 24 1HA GLY 24 -10.515 13.389 10.583 217 HA3 GLY 24 2HA GLY 24 -11.049 14.885 9.847 218 H LYS 25 H LYS 25 -12.635 14.745 8.161 219 HA LYS 25 HA LYS 25 -14.432 12.415 8.073 220 HB2 LYS 25 1HB LYS 25 -15.704 13.571 6.422 221 HB3 LYS 25 2HB LYS 25 -15.181 14.737 7.612 222 HG2 LYS 25 1HG LYS 25 -13.228 15.338 5.917 223 HG3 LYS 25 2HG LYS 25 -14.080 14.321 4.770 224 HD2 LYS 25 1HD LYS 25 -16.115 15.806 4.925 225 HD3 LYS 25 2HD LYS 25 -15.273 16.831 6.096 226 HE2 LYS 25 1HE LYS 25 -13.396 17.223 4.348 227 HE3 LYS 25 2HE LYS 25 -14.282 16.260 3.191 228 HZ1 LYS 25 3HZ LYS 25 -14.828 18.682 2.940 229 HZ2 LYS 25 1HZ LYS 25 -16.195 17.882 3.393 230 HZ3 LYS 25 2HZ LYS 25 -15.364 18.770 4.491 231 H GLU 26 H GLU 26 -11.959 13.404 5.619 232 HA GLU 26 HA GLU 26 -12.006 10.942 4.090 233 HB2 GLU 26 1HB GLU 26 -9.804 13.036 4.571 234 HB3 GLU 26 2HB GLU 26 -9.563 11.656 3.529 235 HG2 GLU 26 1HG GLU 26 -10.139 13.582 2.158 236 HG3 GLU 26 2HG GLU 26 -11.366 12.349 1.980 237 H LEU 27 H LEU 27 -10.425 11.465 7.200 238 HA LEU 27 HA LEU 27 -9.033 8.833 7.299 239 HG LEU 27 HG LEU 27 -9.306 8.306 10.410 240 HB2 LEU 27 1HB LEU 27 -8.429 10.775 8.805 241 HB3 LEU 27 2HB LEU 27 -9.971 10.628 9.600 242 HD11 LEU 27 1HD1 LEU 27 -6.861 7.668 10.310 243 HD12 LEU 27 2HD1 LEU 27 -7.573 7.692 8.690 244 HD13 LEU 27 3HD1 LEU 27 -6.534 9.040 9.225 245 HD21 LEU 27 3HD2 LEU 27 -7.648 9.215 12.114 246 HD22 LEU 27 1HD2 LEU 27 -7.453 10.683 11.131 247 HD23 LEU 27 2HD2 LEU 27 -9.027 10.303 11.866 248 H GLU 28 H GLU 28 -12.275 9.947 8.475 249 HA GLU 28 HA GLU 28 -13.303 7.303 9.169 250 HB2 GLU 28 1HB GLU 28 -14.867 9.726 8.094 251 HB3 GLU 28 2HB GLU 28 -15.591 8.281 8.765 252 HG2 GLU 28 1HG GLU 28 -14.566 8.726 11.015 253 HG3 GLU 28 2HG GLU 28 -13.735 10.150 10.387 254 H ARG 29 H ARG 29 -13.463 8.934 5.948 255 HA ARG 29 HA ARG 29 -14.702 6.722 4.482 256 HE ARG 29 HE ARG 29 -13.795 12.370 2.275 257 HB2 ARG 29 1HB ARG 29 -12.494 8.548 3.350 258 HB3 ARG 29 2HB ARG 29 -13.598 7.564 2.409 259 HG2 ARG 29 1HG ARG 29 -15.537 9.058 3.165 260 HG3 ARG 29 2HG ARG 29 -14.391 10.019 4.078 261 HD2 ARG 29 1HD ARG 29 -13.040 10.163 1.728 262 HD3 ARG 29 2HD ARG 29 -14.563 9.729 1.002 263 HH11 ARG 29 2HH1 ARG 29 -16.586 10.482 1.415 264 HH12 ARG 29 1HH1 ARG 29 -17.614 11.994 1.264 265 HH21 ARG 29 2HH2 ARG 29 -14.826 13.896 2.084 266 HH22 ARG 29 1HH2 ARG 29 -16.631 13.927 1.627 267 H ALA 30 H ALA 30 -11.166 7.293 4.883 268 HA ALA 30 HA ALA 30 -10.320 4.729 3.712 269 HB1 ALA 30 3HB ALA 30 -8.884 6.580 5.745 270 HB2 ALA 30 1HB ALA 30 -8.109 5.307 4.779 271 HB3 ALA 30 2HB ALA 30 -8.809 6.726 3.976 272 H LEU 31 H LEU 31 -10.644 5.569 7.218 273 HA LEU 31 HA LEU 31 -10.056 2.867 8.171 274 HG LEU 31 HG LEU 31 -11.309 2.810 10.886 275 HB2 LEU 31 1HB LEU 31 -9.931 5.144 9.433 276 HB3 LEU 31 2HB LEU 31 -11.666 5.050 9.604 277 HD11 LEU 31 1HD1 LEU 31 -8.959 2.490 11.867 278 HD12 LEU 31 2HD1 LEU 31 -9.006 2.200 10.119 279 HD13 LEU 31 3HD1 LEU 31 -8.342 3.726 10.751 280 HD21 LEU 31 3HD2 LEU 31 -10.616 3.991 12.993 281 HD22 LEU 31 1HD2 LEU 31 -9.999 5.368 12.048 282 HD23 LEU 31 2HD2 LEU 31 -11.739 4.995 12.055 283 H GLN 32 H GLN 32 -13.357 4.328 7.480 284 HA GLN 32 HA GLN 32 -14.672 1.822 8.331 285 HB2 GLN 32 1HB GLN 32 -15.595 4.357 8.195 286 HB3 GLN 32 2HB GLN 32 -16.083 3.894 6.587 287 HG2 GLN 32 1HG GLN 32 -16.867 2.564 9.272 288 HG3 GLN 32 2HG GLN 32 -17.840 3.664 8.327 289 HE21 GLN 32 1HE2 GLN 32 -17.571 0.493 9.086 290 HE22 GLN 32 2HE2 GLN 32 -18.495 -0.141 7.618 291 H GLU 33 H GLU 33 -13.729 3.029 5.049 292 HA GLU 33 HA GLU 33 -14.900 0.709 3.642 293 HB2 GLU 33 1HB GLU 33 -14.232 2.897 2.546 294 HB3 GLU 33 2HB GLU 33 -12.547 2.457 2.732 295 HG2 GLU 33 1HG GLU 33 -13.357 1.973 0.420 296 HG3 GLU 33 2HG GLU 33 -12.891 0.464 1.194 297 H LEU 34 H LEU 34 -11.635 1.210 5.008 298 HA LEU 34 HA LEU 34 -10.589 -1.487 4.484 299 HG LEU 34 HG LEU 34 -9.287 1.215 4.351 300 HB2 LEU 34 1HB LEU 34 -9.995 0.496 6.754 301 HB3 LEU 34 2HB LEU 34 -9.070 -0.970 6.512 302 HD11 LEU 34 1HD1 LEU 34 -7.064 0.816 6.460 303 HD12 LEU 34 2HD1 LEU 34 -7.106 2.028 5.152 304 HD13 LEU 34 3HD1 LEU 34 -8.274 2.116 6.465 305 HD21 LEU 34 3HD2 LEU 34 -8.637 -1.011 3.423 306 HD22 LEU 34 1HD2 LEU 34 -7.273 0.104 3.373 307 HD23 LEU 34 2HD2 LEU 34 -7.334 -1.168 4.621 308 H GLU 35 H GLU 35 -12.281 -0.336 7.503 309 HA GLU 35 HA GLU 35 -12.335 -3.025 8.665 310 HB2 GLU 35 1HB GLU 35 -13.573 -2.225 10.399 311 HB3 GLU 35 2HB GLU 35 -12.514 -0.915 9.949 312 HG2 GLU 35 1HG GLU 35 -14.206 0.510 9.906 313 HG3 GLU 35 2HG GLU 35 -15.035 -0.365 8.627 314 H LYS 36 H LYS 36 -14.791 -1.421 6.678 315 HA LYS 36 HA LYS 36 -16.746 -3.615 6.564 316 HB2 LYS 36 1HB LYS 36 -17.101 -1.201 5.991 317 HB3 LYS 36 2HB LYS 36 -16.030 -1.340 4.608 318 HG2 LYS 36 1HG LYS 36 -17.636 -2.750 3.394 319 HG3 LYS 36 2HG LYS 36 -18.603 -3.013 4.834 320 HD2 LYS 36 1HD LYS 36 -19.739 -1.353 3.397 321 HD3 LYS 36 2HD LYS 36 -19.318 -0.669 4.943 322 HE2 LYS 36 1HE LYS 36 -18.898 1.055 3.307 323 HE3 LYS 36 2HE LYS 36 -17.342 0.557 3.928 324 HZ1 LYS 36 3HZ LYS 36 -17.076 -0.899 1.876 325 HZ2 LYS 36 1HZ LYS 36 -18.499 -0.327 1.253 326 HZ3 LYS 36 2HZ LYS 36 -17.141 0.613 1.477 327 H ALA 37 H ALA 37 -14.029 -2.896 4.251 328 HA ALA 37 HA ALA 37 -14.282 -5.409 2.741 329 HB1 ALA 37 3HB ALA 37 -13.095 -3.371 1.897 330 HB2 ALA 37 1HB ALA 37 -11.848 -3.545 3.153 331 HB3 ALA 37 2HB ALA 37 -12.011 -4.779 1.880 332 H LEU 38 H LEU 38 -12.158 -4.684 5.578 333 HA LEU 38 HA LEU 38 -10.945 -7.360 5.687 334 HG LEU 38 HG LEU 38 -8.886 -7.197 7.215 335 HB2 LEU 38 1HB LEU 38 -10.147 -5.119 6.688 336 HB3 LEU 38 2HB LEU 38 -11.255 -5.368 8.016 337 HD11 LEU 38 1HD1 LEU 38 -9.149 -5.116 9.498 338 HD12 LEU 38 2HD1 LEU 38 -7.752 -6.183 9.235 339 HD13 LEU 38 3HD1 LEU 38 -8.152 -4.940 8.034 340 HD21 LEU 38 3HD2 LEU 38 -10.642 -7.316 9.766 341 HD22 LEU 38 1HD2 LEU 38 -10.493 -8.583 8.524 342 HD23 LEU 38 2HD2 LEU 38 -9.107 -8.186 9.530 343 H ALA 39 H ALA 39 -13.741 -6.045 7.614 344 HA ALA 39 HA ALA 39 -14.455 -8.570 8.936 345 HB1 ALA 39 3HB ALA 39 -15.304 -6.308 9.669 346 HB2 ALA 39 1HB ALA 39 -16.264 -6.173 8.184 347 HB3 ALA 39 2HB ALA 39 -16.639 -7.438 9.379 348 H ARG 40 H ARG 40 -15.667 -7.232 5.798 349 HA ARG 40 HA ARG 40 -17.118 -9.836 5.197 350 HE ARG 40 HE ARG 40 -20.036 -9.495 1.191 351 HB2 ARG 40 1HB ARG 40 -17.964 -7.457 4.645 352 HB3 ARG 40 2HB ARG 40 -16.709 -7.362 3.418 353 HG2 ARG 40 1HG ARG 40 -17.740 -9.356 2.228 354 HG3 ARG 40 2HG ARG 40 -18.940 -9.515 3.517 355 HD2 ARG 40 1HD ARG 40 -19.804 -7.179 3.001 356 HD3 ARG 40 2HD ARG 40 -18.599 -7.028 1.696 357 HH11 ARG 40 2HH1 ARG 40 -20.784 -6.106 1.251 358 HH12 ARG 40 1HH1 ARG 40 -22.150 -6.299 0.048 359 HH21 ARG 40 2HH2 ARG 40 -21.591 -9.691 -0.171 360 HH22 ARG 40 1HH2 ARG 40 -22.566 -8.251 -0.709 361 H ALA 41 H ALA 41 -14.565 -10.409 5.684 362 HA ALA 41 HA ALA 41 -13.654 -11.834 3.216 363 HB1 ALA 41 3HB ALA 41 -12.626 -9.603 2.749 364 HB2 ALA 41 1HB ALA 41 -11.816 -9.602 4.328 365 HB3 ALA 41 2HB ALA 41 -11.354 -10.797 3.086 366 H GLY 42 H GLY 42 -12.285 -10.813 6.408 367 HA2 GLY 42 1HA GLY 42 -11.661 -12.305 8.269 368 HA3 GLY 42 2HA GLY 42 -12.076 -13.700 7.307 369 H ALA 43 H ALA 43 -9.623 -11.145 7.564 370 HA ALA 43 HA ALA 43 -7.582 -12.766 6.067 371 HB1 ALA 43 3HB ALA 43 -7.876 -10.339 5.640 372 HB2 ALA 43 1HB ALA 43 -7.447 -9.953 7.325 373 HB3 ALA 43 2HB ALA 43 -6.234 -10.668 6.234 374 H ARG 44 H ARG 44 -6.152 -14.096 6.975 375 HA ARG 44 HA ARG 44 -5.895 -14.565 9.781 376 HE ARG 44 HE ARG 44 -1.794 -17.959 8.214 377 HB2 ARG 44 1HB ARG 44 -5.489 -16.179 7.865 378 HB3 ARG 44 2HB ARG 44 -3.913 -15.452 7.599 379 HG2 ARG 44 1HG ARG 44 -3.120 -16.204 9.850 380 HG3 ARG 44 2HG ARG 44 -4.752 -16.641 10.320 381 HD2 ARG 44 1HD ARG 44 -3.636 -18.695 9.837 382 HD3 ARG 44 2HD ARG 44 -4.836 -18.453 8.602 383 HH11 ARG 44 2HH1 ARG 44 -4.835 -18.874 6.722 384 HH12 ARG 44 1HH1 ARG 44 -3.891 -19.526 5.252 385 HH21 ARG 44 2HH2 ARG 44 -0.872 -18.753 6.457 386 HH22 ARG 44 1HH2 ARG 44 -1.981 -19.460 5.160 387 H ASN 45 H ASN 45 -3.404 -12.816 7.810 388 HA ASN 45 HA ASN 45 -2.603 -11.488 10.401 389 HB2 ASN 45 1HB ASN 45 -0.289 -11.662 10.196 390 HB3 ASN 45 2HB ASN 45 -0.952 -13.277 10.126 391 HD21 ASN 45 1HD2 ASN 45 -1.163 -14.000 7.619 392 HD22 ASN 45 2HD2 ASN 45 0.446 -13.680 6.784 393 H VAL 46 H VAL 46 -2.369 -9.399 10.305 394 HA VAL 46 HA VAL 46 -2.533 -7.987 7.552 395 HB VAL 46 HB VAL 46 -4.351 -7.318 9.928 396 HG11 VAL 46 1HG1 VAL 46 -4.287 -6.101 7.083 397 HG12 VAL 46 2HG1 VAL 46 -5.499 -5.752 8.341 398 HG13 VAL 46 3HG1 VAL 46 -3.818 -5.272 8.587 399 HG21 VAL 46 3HG2 VAL 46 -5.066 -8.616 7.211 400 HG22 VAL 46 1HG2 VAL 46 -5.161 -9.406 8.798 401 HG23 VAL 46 2HG2 VAL 46 -6.246 -8.061 8.430 402 H GLN 47 H GLN 47 -0.823 -6.749 7.324 403 HA GLN 47 HA GLN 47 0.568 -5.513 9.777 404 HB2 GLN 47 1HB GLN 47 1.900 -7.132 8.570 405 HB3 GLN 47 2HB GLN 47 1.618 -6.347 7.031 406 HG2 GLN 47 1HG GLN 47 2.919 -4.301 7.829 407 HG3 GLN 47 2HG GLN 47 3.156 -5.072 9.388 408 HE21 GLN 47 1HE2 GLN 47 3.635 -6.091 5.955 409 HE22 GLN 47 2HE2 GLN 47 5.319 -6.715 6.312 410 H ILE 48 H ILE 48 -0.246 -3.555 10.129 411 HA ILE 48 HA ILE 48 -0.725 -1.620 7.786 412 HB ILE 48 HB ILE 48 -1.760 -1.448 10.654 413 HG12 ILE 48 1HG1 ILE 48 -3.510 -1.776 8.151 414 HG13 ILE 48 2HG1 ILE 48 -2.846 -3.192 8.931 415 HG21 ILE 48 1HG2 ILE 48 -3.181 0.501 9.766 416 HG22 ILE 48 2HG2 ILE 48 -1.452 0.859 9.749 417 HG23 ILE 48 3HG2 ILE 48 -2.279 0.435 8.235 418 HD11 ILE 48 3HD1 ILE 48 -5.128 -2.798 9.785 419 HD12 ILE 48 1HD1 ILE 48 -3.960 -2.602 11.110 420 HD13 ILE 48 2HD1 ILE 48 -4.694 -1.168 10.347 421 H THR 49 H THR 49 1.018 -0.412 7.380 422 HA THR 49 HA THR 49 2.667 0.806 9.674 423 HB THR 49 HB THR 49 3.290 1.083 6.692 424 HG1 THR 49 HG1 THR 49 5.039 -0.215 7.223 425 HG21 THR 49 3HG2 THR 49 5.510 1.961 7.522 426 HG22 THR 49 1HG2 THR 49 4.201 2.970 8.154 427 HG23 THR 49 2HG2 THR 49 4.978 1.773 9.210 428 H ILE 50 H ILE 50 1.491 2.453 10.470 429 HA ILE 50 HA ILE 50 0.208 4.422 8.506 430 HB ILE 50 HB ILE 50 -1.321 3.338 10.148 431 HG12 ILE 50 1HG1 ILE 50 -2.085 5.137 8.854 432 HG13 ILE 50 2HG1 ILE 50 -2.720 5.302 10.471 433 HG21 ILE 50 1HG2 ILE 50 -1.650 4.312 12.410 434 HG22 ILE 50 2HG2 ILE 50 -0.103 3.456 12.288 435 HG23 ILE 50 3HG2 ILE 50 -0.150 5.239 12.253 436 HD11 ILE 50 3HD1 ILE 50 -0.560 7.042 9.114 437 HD12 ILE 50 1HD1 ILE 50 -2.120 7.542 9.786 438 HD13 ILE 50 2HD1 ILE 50 -0.790 7.070 10.876 439 H SER 51 H SER 51 1.567 5.956 7.975 440 HA SER 51 HA SER 51 3.821 6.798 9.857 441 HG SER 51 HG SER 51 5.710 8.030 7.287 442 HB2 SER 51 1HB SER 51 4.304 6.222 7.424 443 HB3 SER 51 2HB SER 51 3.459 7.716 6.972 444 H ALA 52 H ALA 52 3.186 8.218 11.314 445 HA ALA 52 HA ALA 52 1.161 10.384 10.760 446 HB1 ALA 52 3HB ALA 52 1.425 10.793 13.223 447 HB2 ALA 52 1HB ALA 52 1.175 9.063 12.904 448 HB3 ALA 52 2HB ALA 52 2.792 9.666 13.296 449 H GLU 53 H GLU 53 1.545 12.622 10.984 450 HA GLU 53 HA GLU 53 4.239 13.632 10.136 451 HB2 GLU 53 1HB GLU 53 1.667 15.179 10.802 452 HB3 GLU 53 2HB GLU 53 3.152 15.897 10.224 453 HG2 GLU 53 1HG GLU 53 3.028 14.522 8.088 454 HG3 GLU 53 2HG GLU 53 1.501 13.834 8.618 455 H ASN 54 H ASN 54 2.532 13.542 13.228 456 HA ASN 54 HA ASN 54 5.143 14.206 14.573 457 HB2 ASN 54 1HB ASN 54 4.256 15.854 16.164 458 HB3 ASN 54 2HB ASN 54 4.175 16.412 14.531 459 HD21 ASN 54 1HD2 ASN 54 2.272 17.494 14.156 460 HD22 ASN 54 2HD2 ASN 54 0.737 17.232 15.144 461 H ASP 55 H ASP 55 5.150 13.866 16.889 462 HA ASP 55 HA ASP 55 4.388 11.185 17.583 463 HB2 ASP 55 1HB ASP 55 5.291 13.493 19.430 464 HB3 ASP 55 2HB ASP 55 5.212 11.810 19.912 465 H GLU 56 H GLU 56 2.678 14.185 18.597 466 HA GLU 56 HA GLU 56 0.680 12.780 20.305 467 HB2 GLU 56 1HB GLU 56 0.615 15.592 19.061 468 HB3 GLU 56 2HB GLU 56 -0.654 14.943 20.085 469 HG2 GLU 56 1HG GLU 56 1.033 14.603 21.985 470 HG3 GLU 56 2HG GLU 56 2.271 15.367 20.990 471 H GLN 57 H GLN 57 0.562 13.800 16.865 472 HA GLN 57 HA GLN 57 -1.945 12.422 16.126 473 HB2 GLN 57 1HB GLN 57 0.661 12.809 14.526 474 HB3 GLN 57 2HB GLN 57 -0.766 12.044 13.866 475 HG2 GLN 57 1HG GLN 57 -2.102 14.168 14.239 476 HG3 GLN 57 2HG GLN 57 -0.630 14.954 14.816 477 HE21 GLN 57 1HE2 GLN 57 -1.356 16.353 12.951 478 HE22 GLN 57 2HE2 GLN 57 -0.658 15.908 11.301 479 H ALA 58 H ALA 58 1.410 11.072 16.277 480 HA ALA 58 HA ALA 58 0.711 8.329 15.656 481 HB1 ALA 58 3HB ALA 58 2.932 7.763 16.630 482 HB2 ALA 58 1HB ALA 58 3.059 9.247 15.669 483 HB3 ALA 58 2HB ALA 58 3.018 9.325 17.447 484 H LYS 59 H LYS 59 0.354 9.899 18.842 485 HA LYS 59 HA LYS 59 -0.319 7.407 20.316 486 HB2 LYS 59 1HB LYS 59 0.215 9.566 21.494 487 HB3 LYS 59 2HB LYS 59 -1.272 10.271 20.881 488 HG2 LYS 59 1HG LYS 59 -2.510 8.223 22.086 489 HG3 LYS 59 2HG LYS 59 -0.982 7.931 22.895 490 HD2 LYS 59 1HD LYS 59 -1.067 10.184 23.962 491 HD3 LYS 59 2HD LYS 59 -2.432 10.665 22.945 492 HE2 LYS 59 1HE LYS 59 -3.883 8.835 23.954 493 HE3 LYS 59 2HE LYS 59 -2.558 8.319 24.987 494 HZ1 LYS 59 3HZ LYS 59 -3.784 11.083 25.011 495 HZ2 LYS 59 1HZ LYS 59 -4.052 9.934 26.157 496 HZ3 LYS 59 2HZ LYS 59 -2.559 10.621 26.002 497 H GLU 60 H GLU 60 -2.666 9.859 18.950 498 HA GLU 60 HA GLU 60 -4.935 8.004 19.157 499 HB2 GLU 60 1HB GLU 60 -4.524 10.686 17.774 500 HB3 GLU 60 2HB GLU 60 -5.888 9.728 17.269 501 HG2 GLU 60 1HG GLU 60 -5.403 10.473 20.222 502 HG3 GLU 60 2HG GLU 60 -6.431 11.367 19.118 503 H LEU 61 H LEU 61 -2.745 8.512 16.371 504 HA LEU 61 HA LEU 61 -4.181 6.541 14.665 505 HG LEU 61 HG LEU 61 -3.312 9.308 14.128 506 HB2 LEU 61 1HB LEU 61 -1.318 7.635 14.563 507 HB3 LEU 61 2HB LEU 61 -1.999 6.634 13.305 508 HD11 LEU 61 1HD1 LEU 61 -2.148 10.411 12.272 509 HD12 LEU 61 2HD1 LEU 61 -0.979 9.749 13.425 510 HD13 LEU 61 3HD1 LEU 61 -1.250 8.928 11.879 511 HD21 LEU 61 3HD2 LEU 61 -4.336 9.197 11.826 512 HD22 LEU 61 1HD2 LEU 61 -3.596 7.599 11.568 513 HD23 LEU 61 2HD2 LEU 61 -4.833 7.819 12.823 514 H LEU 62 H LEU 62 -1.559 6.029 17.024 515 HA LEU 62 HA LEU 62 -1.481 3.058 16.773 516 HG LEU 62 HG LEU 62 -1.260 2.894 20.165 517 HB2 LEU 62 1HB LEU 62 0.315 4.280 17.905 518 HB3 LEU 62 2HB LEU 62 -0.798 5.044 19.010 519 HD11 LEU 62 1HD1 LEU 62 -0.827 1.242 18.339 520 HD12 LEU 62 2HD1 LEU 62 0.901 1.693 18.307 521 HD13 LEU 62 3HD1 LEU 62 0.199 0.891 19.736 522 HD21 LEU 62 3HD2 LEU 62 1.736 3.620 19.943 523 HD22 LEU 62 1HD2 LEU 62 0.541 4.410 20.997 524 HD23 LEU 62 2HD2 LEU 62 0.981 2.715 21.278 525 H GLU 63 H GLU 63 -3.390 5.177 18.986 526 HA GLU 63 HA GLU 63 -4.988 2.971 20.063 527 HB2 GLU 63 1HB GLU 63 -5.621 5.973 20.008 528 HB3 GLU 63 2HB GLU 63 -6.653 4.738 20.712 529 HG2 GLU 63 1HG GLU 63 -4.723 4.017 22.256 530 HG3 GLU 63 2HG GLU 63 -3.831 5.431 21.696 531 H LEU 64 H LEU 64 -5.995 5.312 17.446 532 HA LEU 64 HA LEU 64 -8.557 4.139 16.810 533 HG LEU 64 HG LEU 64 -7.871 6.913 16.784 534 HB2 LEU 64 1HB LEU 64 -6.459 5.511 15.052 535 HB3 LEU 64 2HB LEU 64 -7.989 5.017 14.384 536 HD11 LEU 64 1HD1 LEU 64 -6.615 7.940 14.896 537 HD12 LEU 64 2HD1 LEU 64 -7.967 7.615 13.780 538 HD13 LEU 64 3HD1 LEU 64 -8.161 8.775 15.122 539 HD21 LEU 64 3HD2 LEU 64 -10.126 5.809 16.380 540 HD22 LEU 64 1HD2 LEU 64 -10.190 7.545 16.012 541 HD23 LEU 64 2HD2 LEU 64 -10.095 6.358 14.691 542 H ILE 65 H ILE 65 -5.421 2.867 15.737 543 HA ILE 65 HA ILE 65 -6.758 0.637 14.202 544 HB ILE 65 HB ILE 65 -3.811 0.760 14.967 545 HG12 ILE 65 1HG1 ILE 65 -5.034 1.367 12.189 546 HG13 ILE 65 2HG1 ILE 65 -4.633 2.632 13.331 547 HG21 ILE 65 1HG2 ILE 65 -5.355 -1.040 12.944 548 HG22 ILE 65 2HG2 ILE 65 -3.590 -1.055 13.170 549 HG23 ILE 65 3HG2 ILE 65 -4.650 -1.581 14.475 550 HD11 ILE 65 3HD1 ILE 65 -2.226 2.018 13.348 551 HD12 ILE 65 1HD1 ILE 65 -2.525 0.673 12.218 552 HD13 ILE 65 2HD1 ILE 65 -2.808 2.343 11.697 553 H ALA 66 H ALA 66 -4.909 0.623 17.385 554 HA ALA 66 HA ALA 66 -5.734 -2.089 18.109 555 HB1 ALA 66 3HB ALA 66 -4.983 -1.437 20.403 556 HB2 ALA 66 1HB ALA 66 -3.840 -0.874 19.171 557 HB3 ALA 66 2HB ALA 66 -4.964 0.281 19.931 558 H ARG 67 H ARG 67 -7.362 0.970 18.882 559 HA ARG 67 HA ARG 67 -9.791 0.040 20.260 560 HE ARG 67 HE ARG 67 -9.316 4.518 21.295 561 HB2 ARG 67 1HB ARG 67 -8.726 2.386 20.006 562 HB3 ARG 67 2HB ARG 67 -9.241 2.382 18.329 563 HG2 ARG 67 1HG ARG 67 -11.664 2.362 19.214 564 HG3 ARG 67 2HG ARG 67 -11.025 2.534 20.844 565 HD2 ARG 67 1HD ARG 67 -10.428 4.466 18.493 566 HD3 ARG 67 2HD ARG 67 -11.691 4.742 19.688 567 HH11 ARG 67 2HH1 ARG 67 -10.276 6.623 18.682 568 HH12 ARG 67 1HH1 ARG 67 -9.061 7.908 19.234 569 HH21 ARG 67 2HH2 ARG 67 -7.953 6.115 21.909 570 HH22 ARG 67 1HH2 ARG 67 -8.068 7.698 21.011 571 H LEU 68 H LEU 68 -9.099 0.335 16.714 572 HA LEU 68 HA LEU 68 -11.685 -0.844 15.855 573 HG LEU 68 HG LEU 68 -10.750 -2.173 13.245 574 HB2 LEU 68 1HB LEU 68 -10.202 0.634 14.390 575 HB3 LEU 68 2HB LEU 68 -8.995 -0.641 14.364 576 HD11 LEU 68 1HD1 LEU 68 -12.830 -0.849 13.947 577 HD12 LEU 68 2HD1 LEU 68 -12.325 0.474 12.866 578 HD13 LEU 68 3HD1 LEU 68 -12.751 -1.125 12.216 579 HD21 LEU 68 3HD2 LEU 68 -10.420 -1.208 11.008 580 HD22 LEU 68 1HD2 LEU 68 -10.047 0.390 11.692 581 HD23 LEU 68 2HD2 LEU 68 -8.939 -0.980 11.954 582 H LEU 69 H LEU 69 -8.391 -2.282 16.151 583 HA LEU 69 HA LEU 69 -9.081 -5.017 15.407 584 HG LEU 69 HG LEU 69 -6.670 -3.097 14.907 585 HB2 LEU 69 1HB LEU 69 -6.864 -4.067 17.277 586 HB3 LEU 69 2HB LEU 69 -6.975 -5.669 16.583 587 HD11 LEU 69 1HD1 LEU 69 -4.614 -5.203 15.791 588 HD12 LEU 69 2HD1 LEU 69 -4.320 -3.976 14.540 589 HD13 LEU 69 3HD1 LEU 69 -4.643 -3.484 16.217 590 HD21 LEU 69 3HD2 LEU 69 -7.831 -4.790 13.561 591 HD22 LEU 69 1HD2 LEU 69 -6.166 -4.641 13.009 592 HD23 LEU 69 2HD2 LEU 69 -6.648 -6.041 14.016 593 H GLN 70 H GLN 70 -9.166 -3.597 18.682 594 HA GLN 70 HA GLN 70 -10.239 -5.976 20.084 595 HB2 GLN 70 1HB GLN 70 -10.502 -2.959 20.660 596 HB3 GLN 70 2HB GLN 70 -11.110 -4.197 21.742 597 HG2 GLN 70 1HG GLN 70 -8.869 -5.100 22.195 598 HG3 GLN 70 2HG GLN 70 -8.122 -4.116 20.956 599 HE21 GLN 70 1HE2 GLN 70 -8.036 -1.800 21.313 600 HE22 GLN 70 2HE2 GLN 70 -8.062 -1.189 23.061 601 H LYS 71 H LYS 71 -11.925 -3.341 18.326 602 HA LYS 71 HA LYS 71 -14.672 -4.368 18.837 603 HB2 LYS 71 1HB LYS 71 -13.989 -1.952 18.131 604 HB3 LYS 71 2HB LYS 71 -13.717 -2.580 16.524 605 HG2 LYS 71 1HG LYS 71 -16.309 -3.478 16.815 606 HG3 LYS 71 2HG LYS 71 -16.332 -2.310 18.110 607 HD2 LYS 71 1HD LYS 71 -17.199 -1.112 16.272 608 HD3 LYS 71 2HD LYS 71 -15.551 -0.505 16.378 609 HE2 LYS 71 1HE LYS 71 -14.848 -2.106 14.500 610 HE3 LYS 71 2HE LYS 71 -16.457 -2.799 14.466 611 HZ1 LYS 71 3HZ LYS 71 -17.363 -0.605 13.727 612 HZ2 LYS 71 1HZ LYS 71 -15.872 0.099 13.812 613 HZ3 LYS 71 2HZ LYS 71 -16.162 -1.100 12.713 614 H LEU 72 H LEU 72 -12.469 -4.770 16.011 615 HA LEU 72 HA LEU 72 -14.162 -6.674 14.518 616 HG LEU 72 HG LEU 72 -11.407 -5.422 12.211 617 HB2 LEU 72 1HB LEU 72 -11.193 -5.920 14.497 618 HB3 LEU 72 2HB LEU 72 -11.634 -7.384 13.699 619 HD11 LEU 72 1HD1 LEU 72 -14.195 -6.730 12.055 620 HD12 LEU 72 2HD1 LEU 72 -13.268 -6.002 10.719 621 HD13 LEU 72 3HD1 LEU 72 -12.678 -7.477 11.502 622 HD21 LEU 72 3HD2 LEU 72 -14.109 -4.434 13.328 623 HD22 LEU 72 1HD2 LEU 72 -12.537 -3.646 13.591 624 HD23 LEU 72 2HD2 LEU 72 -13.217 -3.752 11.954 625 H GLY 73 H GLY 73 -11.624 -7.358 16.934 626 HA2 GLY 73 1HA GLY 73 -11.889 -9.369 18.442 627 HA3 GLY 73 2HA GLY 73 -12.645 -10.266 17.145 628 H TYR 74 H TYR 74 -9.585 -8.420 17.339 629 HA TYR 74 HA TYR 74 -8.016 -10.993 16.646 630 HD1 TYR 74 HD1 TYR 74 -6.455 -11.263 14.225 631 HD2 TYR 74 HD2 TYR 74 -9.310 -8.053 14.065 632 HE1 TYR 74 HE1 TYR 74 -6.933 -11.791 11.870 633 HE2 TYR 74 HE2 TYR 74 -9.841 -8.658 11.735 634 HH TYR 74 HH TYR 74 -8.000 -11.198 10.019 635 HB2 TYR 74 1HB TYR 74 -7.541 -8.066 15.819 636 HB3 TYR 74 2HB TYR 74 -6.285 -9.255 15.752 637 H LYS 75 H LYS 75 -7.275 -11.703 18.536 638 HA LYS 75 HA LYS 75 -6.521 -10.045 20.810 639 HB2 LYS 75 1HB LYS 75 -6.038 -12.002 21.970 640 HB3 LYS 75 2HB LYS 75 -7.298 -12.485 20.863 641 HG2 LYS 75 1HG LYS 75 -5.368 -13.433 19.319 642 HG3 LYS 75 2HG LYS 75 -4.275 -13.038 20.633 643 HD2 LYS 75 1HD LYS 75 -5.805 -14.554 22.150 644 HD3 LYS 75 2HD LYS 75 -6.491 -15.165 20.655 645 HE2 LYS 75 1HE LYS 75 -3.491 -15.229 21.490 646 HE3 LYS 75 2HE LYS 75 -4.599 -16.601 21.547 647 HZ1 LYS 75 3HZ LYS 75 -3.429 -16.827 19.436 648 HZ2 LYS 75 1HZ LYS 75 -4.822 -16.075 18.920 649 HZ3 LYS 75 2HZ LYS 75 -3.455 -15.219 19.105 650 H ASP 76 H ASP 76 -4.377 -11.330 18.272 651 HA ASP 76 HA ASP 76 -1.916 -10.686 19.906 652 HB2 ASP 76 1HB ASP 76 -2.203 -12.013 17.178 653 HB3 ASP 76 2HB ASP 76 -0.716 -11.924 18.103 654 H ILE 77 H ILE 77 -1.744 -8.503 19.849 655 HA ILE 77 HA ILE 77 -1.619 -7.007 17.165 656 HB ILE 77 HB ILE 77 -2.233 -5.916 19.959 657 HG12 ILE 77 1HG1 ILE 77 -4.212 -6.390 17.625 658 HG13 ILE 77 2HG1 ILE 77 -4.082 -7.428 19.012 659 HG21 ILE 77 1HG2 ILE 77 -2.857 -3.786 18.804 660 HG22 ILE 77 2HG2 ILE 77 -1.189 -4.195 18.404 661 HG23 ILE 77 3HG2 ILE 77 -2.477 -4.497 17.216 662 HD11 ILE 77 3HD1 ILE 77 -6.001 -5.972 19.349 663 HD12 ILE 77 1HD1 ILE 77 -4.775 -5.568 20.570 664 HD13 ILE 77 2HD1 ILE 77 -5.025 -4.501 19.162 665 H ASN 78 H ASN 78 0.484 -7.269 16.590 666 HA ASN 78 HA ASN 78 2.738 -6.902 18.573 667 HB2 ASN 78 1HB ASN 78 2.635 -8.851 17.064 668 HB3 ASN 78 2HB ASN 78 2.630 -7.826 15.649 669 HD21 ASN 78 1HD2 ASN 78 4.478 -9.027 14.924 670 HD22 ASN 78 2HD2 ASN 78 6.112 -8.692 15.706 671 H VAL 79 H VAL 79 3.208 -4.871 19.000 672 HA VAL 79 HA VAL 79 2.884 -2.666 16.942 673 HB VAL 79 HB VAL 79 3.203 -2.501 19.995 674 HG11 VAL 79 1HG1 VAL 79 2.342 -0.284 18.012 675 HG12 VAL 79 2HG1 VAL 79 2.368 -0.149 19.789 676 HG13 VAL 79 3HG1 VAL 79 3.880 -0.342 18.901 677 HG21 VAL 79 3HG2 VAL 79 0.621 -2.317 18.295 678 HG22 VAL 79 1HG2 VAL 79 1.021 -3.584 19.467 679 HG23 VAL 79 2HG2 VAL 79 0.727 -1.936 20.032 680 H ARG 80 H ARG 80 4.631 -1.996 15.856 681 HA ARG 80 HA ARG 80 7.145 -1.289 17.500 682 HE ARG 80 HE ARG 80 11.066 -0.110 14.290 683 HB2 ARG 80 1HB ARG 80 7.737 -2.991 15.841 684 HB3 ARG 80 2HB ARG 80 7.046 -2.045 14.528 685 HG2 ARG 80 1HG ARG 80 8.725 -0.221 14.888 686 HG3 ARG 80 2HG ARG 80 9.395 -1.045 16.294 687 HD2 ARG 80 1HD ARG 80 10.200 -2.932 14.907 688 HD3 ARG 80 2HD ARG 80 9.410 -2.274 13.455 689 HH11 ARG 80 2HH1 ARG 80 11.760 -3.432 13.537 690 HH12 ARG 80 1HH1 ARG 80 13.429 -3.004 12.920 691 HH21 ARG 80 2HH2 ARG 80 12.871 0.356 13.485 692 HH22 ARG 80 1HH2 ARG 80 14.031 -0.947 12.927 693 H VAL 81 H VAL 81 6.808 0.777 18.063 694 HA VAL 81 HA VAL 81 5.882 2.844 16.014 695 HB VAL 81 HB VAL 81 6.599 3.267 18.958 696 HG11 VAL 81 1HG1 VAL 81 6.959 5.370 17.652 697 HG12 VAL 81 2HG1 VAL 81 5.351 5.236 16.911 698 HG13 VAL 81 3HG1 VAL 81 5.518 5.539 18.656 699 HG21 VAL 81 3HG2 VAL 81 3.805 3.147 17.611 700 HG22 VAL 81 1HG2 VAL 81 4.451 1.992 18.794 701 HG23 VAL 81 2HG2 VAL 81 4.117 3.656 19.289 702 H ASN 82 H ASN 82 7.437 3.211 14.562 703 HA ASN 82 HA ASN 82 10.400 3.346 15.408 704 HB2 ASN 82 1HB ASN 82 9.589 1.634 13.663 705 HB3 ASN 82 2HB ASN 82 9.229 2.940 12.581 706 HD21 ASN 82 1HD2 ASN 82 10.945 3.575 11.242 707 HD22 ASN 82 2HD2 ASN 82 12.676 3.064 11.602 708 H GLY 83 H GLY 83 9.826 5.403 16.377 709 HA2 GLY 83 1HA GLY 83 10.061 7.843 16.384 710 HA3 GLY 83 2HA GLY 83 10.257 7.864 14.645 711 H THR 84 H THR 84 8.493 8.428 13.469 712 HA THR 84 HA THR 84 5.723 8.532 14.793 713 HB THR 84 HB THR 84 4.935 10.112 13.283 714 HG1 THR 84 HG1 THR 84 5.743 10.574 11.460 715 HG21 THR 84 3HG2 THR 84 6.287 11.159 15.122 716 HG22 THR 84 1HG2 THR 84 7.708 11.171 14.053 717 HG23 THR 84 2HG2 THR 84 6.279 12.137 13.628 718 H GLU 85 H GLU 85 7.447 6.508 12.707 719 HA GLU 85 HA GLU 85 5.161 5.483 11.046 720 HB2 GLU 85 1HB GLU 85 7.841 4.252 11.819 721 HB3 GLU 85 2HB GLU 85 6.670 3.443 10.789 722 HG2 GLU 85 1HG GLU 85 6.984 5.257 9.032 723 HG3 GLU 85 2HG GLU 85 8.202 6.019 10.068 724 H VAL 86 H VAL 86 3.470 4.831 12.284 725 HA VAL 86 HA VAL 86 3.874 3.024 14.729 726 HB VAL 86 HB VAL 86 1.468 4.514 13.595 727 HG11 VAL 86 1HG1 VAL 86 1.473 2.754 16.132 728 HG12 VAL 86 2HG1 VAL 86 0.148 3.773 15.499 729 HG13 VAL 86 3HG1 VAL 86 0.651 2.352 14.597 730 HG21 VAL 86 3HG2 VAL 86 1.522 5.796 15.736 731 HG22 VAL 86 1HG2 VAL 86 2.961 4.901 16.275 732 HG23 VAL 86 2HG2 VAL 86 3.054 5.979 14.865 733 H LYS 87 H LYS 87 4.484 1.070 13.950 734 HA LYS 87 HA LYS 87 2.980 -0.153 11.613 735 HB2 LYS 87 1HB LYS 87 5.446 0.221 11.504 736 HB3 LYS 87 2HB LYS 87 5.685 -0.977 12.767 737 HG2 LYS 87 1HG LYS 87 4.728 -2.771 11.325 738 HG3 LYS 87 2HG LYS 87 4.123 -1.593 10.161 739 HD2 LYS 87 1HD LYS 87 6.495 -0.884 9.612 740 HD3 LYS 87 2HD LYS 87 7.118 -2.104 10.729 741 HE2 LYS 87 1HE LYS 87 5.997 -3.937 9.381 742 HE3 LYS 87 2HE LYS 87 5.294 -2.745 8.286 743 HZ1 LYS 87 3HZ LYS 87 7.642 -2.038 7.698 744 HZ2 LYS 87 1HZ LYS 87 8.259 -3.192 8.682 745 HZ3 LYS 87 2HZ LYS 87 7.408 -3.631 7.348 746 H ILE 88 H ILE 88 1.348 -1.333 12.110 747 HA ILE 88 HA ILE 88 1.240 -2.924 14.743 748 HB ILE 88 HB ILE 88 -1.127 -1.950 13.061 749 HG12 ILE 88 1HG1 ILE 88 -0.108 0.089 13.850 750 HG13 ILE 88 2HG1 ILE 88 -1.604 -0.196 14.698 751 HG21 ILE 88 1HG2 ILE 88 -2.476 -2.428 15.161 752 HG22 ILE 88 2HG2 ILE 88 -1.736 -3.889 14.482 753 HG23 ILE 88 3HG2 ILE 88 -1.028 -3.118 15.917 754 HD11 ILE 88 3HD1 ILE 88 -0.330 -0.957 16.753 755 HD12 ILE 88 1HD1 ILE 88 1.214 -0.705 15.887 756 HD13 ILE 88 2HD1 ILE 88 0.148 0.671 16.244 757 H GLU 89 H GLU 89 1.841 -4.951 14.305 758 HA GLU 89 HA GLU 89 0.875 -6.367 11.779 759 HB2 GLU 89 1HB GLU 89 3.249 -6.287 12.130 760 HB3 GLU 89 2HB GLU 89 3.156 -7.008 13.708 761 HG2 GLU 89 1HG GLU 89 1.879 -8.666 11.472 762 HG3 GLU 89 2HG GLU 89 3.594 -8.351 11.271 763 H VAL 90 H VAL 90 -0.989 -7.261 11.974 764 HA VAL 90 HA VAL 90 -2.119 -8.325 14.546 765 HB VAL 90 HB VAL 90 -3.150 -7.952 11.678 766 HG11 VAL 90 1HG1 VAL 90 -4.797 -9.187 13.944 767 HG12 VAL 90 2HG1 VAL 90 -5.477 -8.547 12.422 768 HG13 VAL 90 3HG1 VAL 90 -4.398 -9.945 12.390 769 HG21 VAL 90 3HG2 VAL 90 -4.166 -6.720 14.308 770 HG22 VAL 90 1HG2 VAL 90 -3.030 -5.891 13.212 771 HG23 VAL 90 2HG2 VAL 90 -4.664 -6.288 12.656 772 H ARG 91 H ARG 91 -2.324 -10.406 15.153 773 HA ARG 91 HA ARG 91 -2.435 -12.540 12.960 774 HE ARG 91 HE ARG 91 2.203 -11.646 12.998 775 HB2 ARG 91 1HB ARG 91 -1.237 -13.165 15.740 776 HB3 ARG 91 2HB ARG 91 -1.352 -14.258 14.406 777 HG2 ARG 91 1HG ARG 91 0.412 -11.725 14.430 778 HG3 ARG 91 2HG ARG 91 0.960 -13.295 14.966 779 HD2 ARG 91 1HD ARG 91 0.681 -14.306 12.734 780 HD3 ARG 91 2HD ARG 91 -0.096 -12.820 12.132 781 HH11 ARG 91 2HH1 ARG 91 1.804 -14.479 10.998 782 HH12 ARG 91 1HH1 ARG 91 3.398 -14.189 10.142 783 HH21 ARG 91 2HH2 ARG 91 4.048 -11.417 12.106 784 HH22 ARG 91 1HH2 ARG 91 4.612 -12.549 10.768 785 H VAL 92 H VAL 92 -3.973 -14.195 13.278 786 HA VAL 92 HA VAL 92 -6.113 -13.842 15.364 787 HB VAL 92 HB VAL 92 -5.663 -16.126 13.336 788 HG11 VAL 92 1HG1 VAL 92 -8.077 -16.748 13.736 789 HG12 VAL 92 2HG1 VAL 92 -7.128 -16.957 15.211 790 HG13 VAL 92 3HG1 VAL 92 -8.188 -15.541 15.038 791 HG21 VAL 92 3HG2 VAL 92 -7.544 -15.073 12.029 792 HG22 VAL 92 1HG2 VAL 92 -7.663 -13.763 13.225 793 HG23 VAL 92 2HG2 VAL 92 -6.211 -13.925 12.212 Start of MODEL 13 1 H HIS -1 H HIS -1 1.870 16.580 0.702 2 HA HIS -1 HA HIS -1 4.241 15.090 1.647 3 HD2 HIS -1 HD2 HIS -1 6.113 15.946 3.515 4 HE1 HIS -1 HE1 HIS -1 6.000 20.112 3.411 5 HE2 HIS -1 HE2 HIS -1 7.619 18.134 3.750 6 HB2 HIS -1 1HB HIS -1 2.330 17.046 3.079 7 HB3 HIS -1 2HB HIS -1 3.242 15.870 3.987 8 H MET 0 H MET 0 3.865 13.061 2.314 9 HA MET 0 HA MET 0 1.081 11.884 2.506 10 HB2 MET 0 1HB MET 0 3.871 10.663 2.957 11 HB3 MET 0 2HB MET 0 2.397 9.832 3.374 12 HG2 MET 0 1HG MET 0 2.993 8.999 1.207 13 HG3 MET 0 2HG MET 0 1.570 10.006 0.975 14 HE1 MET 0 3HE MET 0 5.088 9.213 -0.265 15 HE2 MET 0 1HE MET 0 5.849 10.794 -0.609 16 HE3 MET 0 2HE MET 0 5.588 10.278 1.084 17 H LYS 1 H LYS 1 0.304 13.336 4.066 18 HA LYS 1 HA LYS 1 1.408 13.517 6.795 19 HB2 LYS 1 1HB LYS 1 -1.373 14.347 5.765 20 HB3 LYS 1 2HB LYS 1 -0.720 14.719 7.354 21 HG2 LYS 1 1HG LYS 1 1.191 16.023 6.299 22 HG3 LYS 1 2HG LYS 1 0.555 15.656 4.709 23 HD2 LYS 1 1HD LYS 1 -0.184 17.892 5.216 24 HD3 LYS 1 2HD LYS 1 -1.564 16.839 5.191 25 HE2 LYS 1 1HE LYS 1 -1.975 18.304 7.033 26 HE3 LYS 1 2HE LYS 1 -1.551 16.771 7.785 27 HZ1 LYS 1 3HZ LYS 1 0.728 17.549 8.196 28 HZ2 LYS 1 1HZ LYS 1 0.511 18.937 7.332 29 HZ3 LYS 1 2HZ LYS 1 -0.271 18.701 8.780 30 H VAL 2 H VAL 2 -1.561 11.875 5.727 31 HA VAL 2 HA VAL 2 -1.101 9.782 7.937 32 HB VAL 2 HB VAL 2 -3.813 10.958 7.077 33 HG11 VAL 2 1HG1 VAL 2 -4.131 8.485 7.318 34 HG12 VAL 2 2HG1 VAL 2 -3.382 8.513 8.926 35 HG13 VAL 2 3HG1 VAL 2 -4.925 9.345 8.641 36 HG21 VAL 2 3HG2 VAL 2 -2.495 10.806 9.882 37 HG22 VAL 2 1HG2 VAL 2 -2.624 12.272 8.891 38 HG23 VAL 2 2HG2 VAL 2 -4.094 11.507 9.518 39 H ASP 3 H ASP 3 0.161 8.678 6.372 40 HA ASP 3 HA ASP 3 -1.442 7.280 4.171 41 HB2 ASP 3 1HB ASP 3 0.893 8.023 3.585 42 HB3 ASP 3 2HB ASP 3 1.524 6.829 4.709 43 H ILE 4 H ILE 4 -2.756 5.930 5.062 44 HA ILE 4 HA ILE 4 -1.855 4.079 7.329 45 HB ILE 4 HB ILE 4 -3.910 5.554 7.637 46 HG12 ILE 4 1HG1 ILE 4 -3.264 3.742 9.154 47 HG13 ILE 4 2HG1 ILE 4 -4.965 4.134 9.139 48 HG21 ILE 4 1HG2 ILE 4 -6.122 4.713 6.903 49 HG22 ILE 4 2HG2 ILE 4 -5.106 5.214 5.520 50 HG23 ILE 4 3HG2 ILE 4 -5.335 3.485 5.881 51 HD11 ILE 4 3HD1 ILE 4 -5.483 2.057 7.809 52 HD12 ILE 4 1HD1 ILE 4 -3.746 1.661 7.740 53 HD13 ILE 4 2HD1 ILE 4 -4.607 1.679 9.306 54 H THR 5 H THR 5 -0.835 2.524 6.441 55 HA THR 5 HA THR 5 -1.364 1.675 3.600 56 HB THR 5 HB THR 5 1.216 1.121 5.115 57 HG1 THR 5 HG1 THR 5 0.603 3.706 3.981 58 HG21 THR 5 3HG2 THR 5 0.970 0.356 2.673 59 HG22 THR 5 1HG2 THR 5 0.722 2.054 2.210 60 HG23 THR 5 2HG2 THR 5 2.268 1.555 2.906 61 H ILE 6 H ILE 6 -2.468 -0.205 3.409 62 HA ILE 6 HA ILE 6 -2.570 -2.065 5.815 63 HB ILE 6 HB ILE 6 -4.629 -2.054 3.560 64 HG12 ILE 6 1HG1 ILE 6 -6.066 -0.767 5.460 65 HG13 ILE 6 2HG1 ILE 6 -4.506 -0.153 5.964 66 HG21 ILE 6 1HG2 ILE 6 -4.821 -2.992 6.499 67 HG22 ILE 6 2HG2 ILE 6 -6.108 -3.089 5.275 68 HG23 ILE 6 3HG2 ILE 6 -4.639 -4.052 5.087 69 HD11 ILE 6 3HD1 ILE 6 -5.708 0.135 3.110 70 HD12 ILE 6 1HD1 ILE 6 -5.682 1.394 4.366 71 HD13 ILE 6 2HD1 ILE 6 -4.177 0.856 3.647 72 H LYS 7 H LYS 7 -1.159 -3.713 5.643 73 HA LYS 7 HA LYS 7 -0.867 -5.303 3.064 74 HB2 LYS 7 1HB LYS 7 0.576 -5.464 5.758 75 HB3 LYS 7 2HB LYS 7 0.767 -6.628 4.496 76 HG2 LYS 7 1HG LYS 7 2.590 -5.233 4.186 77 HG3 LYS 7 2HG LYS 7 1.538 -4.819 2.881 78 HD2 LYS 7 1HD LYS 7 1.082 -2.674 3.667 79 HD3 LYS 7 2HD LYS 7 1.187 -3.080 5.362 80 HE2 LYS 7 1HE LYS 7 3.578 -3.003 5.470 81 HE3 LYS 7 2HE LYS 7 3.782 -3.153 3.712 82 HZ1 LYS 7 3HZ LYS 7 3.923 -0.731 4.730 83 HZ2 LYS 7 1HZ LYS 7 3.132 -0.992 3.299 84 HZ3 LYS 7 2HZ LYS 7 2.258 -0.788 4.696 85 H ILE 8 H ILE 8 -2.581 -6.522 2.690 86 HA ILE 8 HA ILE 8 -4.070 -7.917 4.963 87 HB ILE 8 HB ILE 8 -4.911 -7.808 2.014 88 HG12 ILE 8 1HG1 ILE 8 -5.887 -5.933 4.258 89 HG13 ILE 8 2HG1 ILE 8 -4.814 -5.465 2.957 90 HG21 ILE 8 1HG2 ILE 8 -5.951 -9.658 3.485 91 HG22 ILE 8 2HG2 ILE 8 -6.636 -8.390 4.526 92 HG23 ILE 8 3HG2 ILE 8 -7.138 -8.538 2.825 93 HD11 ILE 8 3HD1 ILE 8 -7.099 -4.714 2.439 94 HD12 ILE 8 1HD1 ILE 8 -6.563 -5.900 1.226 95 HD13 ILE 8 2HD1 ILE 8 -7.728 -6.367 2.494 96 H GLN 9 H GLN 9 -2.849 -9.677 5.507 97 HA GLN 9 HA GLN 9 -1.785 -11.540 3.381 98 HB2 GLN 9 1HB GLN 9 -1.308 -11.459 6.387 99 HB3 GLN 9 2HB GLN 9 -0.637 -12.678 5.319 100 HG2 GLN 9 1HG GLN 9 0.530 -10.918 3.959 101 HG3 GLN 9 2HG GLN 9 -0.133 -9.654 4.981 102 HE21 GLN 9 1HE2 GLN 9 2.304 -9.442 4.735 103 HE22 GLN 9 2HE2 GLN 9 3.252 -10.092 6.202 104 H ARG 10 H ARG 10 -3.052 -13.091 2.696 105 HA ARG 10 HA ARG 10 -5.140 -14.491 4.466 106 HE ARG 10 HE ARG 10 -4.426 -11.304 1.905 107 HB2 ARG 10 1HB ARG 10 -4.556 -14.513 1.450 108 HB3 ARG 10 2HB ARG 10 -5.533 -15.746 2.185 109 HG2 ARG 10 1HG ARG 10 -6.945 -14.095 1.163 110 HG3 ARG 10 2HG ARG 10 -7.256 -14.169 2.871 111 HD2 ARG 10 1HD ARG 10 -7.355 -11.816 1.979 112 HD3 ARG 10 2HD ARG 10 -6.232 -12.028 3.293 113 HH11 ARG 10 2HH1 ARG 10 -6.957 -12.331 -0.227 114 HH12 ARG 10 1HH1 ARG 10 -5.992 -11.807 -1.698 115 HH21 ARG 10 2HH2 ARG 10 -3.395 -10.774 0.318 116 HH22 ARG 10 1HH2 ARG 10 -4.047 -10.930 -1.379 117 H ASP 11 H ASP 11 -2.819 -14.878 5.553 118 HA ASP 11 HA ASP 11 -1.169 -16.284 6.309 119 HB2 ASP 11 1HB ASP 11 -3.119 -17.968 6.497 120 HB3 ASP 11 2HB ASP 11 -2.466 -18.746 5.055 121 H GLY 12 H GLY 12 0.362 -15.222 5.153 122 HA2 GLY 12 1HA GLY 12 2.297 -15.185 3.621 123 HA3 GLY 12 2HA GLY 12 1.695 -16.588 2.776 124 H GLN 13 H GLN 13 -0.727 -15.837 1.869 125 HA GLN 13 HA GLN 13 0.014 -14.383 -0.538 126 HB2 GLN 13 1HB GLN 13 -1.685 -16.211 -0.382 127 HB3 GLN 13 2HB GLN 13 -2.768 -15.176 0.492 128 HG2 GLN 13 1HG GLN 13 -3.498 -15.347 -1.857 129 HG3 GLN 13 2HG GLN 13 -3.050 -13.694 -1.510 130 HE21 GLN 13 1HE2 GLN 13 -1.879 -16.640 -3.138 131 HE22 GLN 13 2HE2 GLN 13 -0.744 -15.681 -4.228 132 H GLU 14 H GLU 14 0.397 -12.305 -0.714 133 HA GLU 14 HA GLU 14 -0.715 -10.359 1.308 134 HB2 GLU 14 1HB GLU 14 1.696 -10.992 1.250 135 HB3 GLU 14 2HB GLU 14 1.851 -10.408 -0.399 136 HG2 GLU 14 1HG GLU 14 2.818 -8.769 1.152 137 HG3 GLU 14 2HG GLU 14 1.425 -8.033 0.389 138 H ILE 15 H ILE 15 -1.472 -8.396 0.870 139 HA ILE 15 HA ILE 15 -1.251 -7.134 -1.849 140 HB ILE 15 HB ILE 15 -3.985 -7.272 -0.492 141 HG12 ILE 15 1HG1 ILE 15 -3.434 -7.942 -3.457 142 HG13 ILE 15 2HG1 ILE 15 -3.226 -9.159 -2.238 143 HG21 ILE 15 1HG2 ILE 15 -3.169 -5.546 -2.957 144 HG22 ILE 15 2HG2 ILE 15 -4.826 -5.688 -2.319 145 HG23 ILE 15 3HG2 ILE 15 -3.570 -4.915 -1.356 146 HD11 ILE 15 3HD1 ILE 15 -5.670 -8.829 -1.480 147 HD12 ILE 15 1HD1 ILE 15 -5.885 -7.681 -2.815 148 HD13 ILE 15 2HD1 ILE 15 -5.511 -9.377 -3.172 149 H GLU 16 H GLU 16 -0.075 -5.412 -1.298 150 HA GLU 16 HA GLU 16 -0.569 -3.834 1.237 151 HB2 GLU 16 1HB GLU 16 1.716 -4.230 0.613 152 HB3 GLU 16 2HB GLU 16 1.526 -3.534 -0.983 153 HG2 GLU 16 1HG GLU 16 1.375 -1.273 -0.137 154 HG3 GLU 16 2HG GLU 16 0.894 -1.786 1.462 155 H ILE 17 H ILE 17 -1.976 -2.297 1.312 156 HA ILE 17 HA ILE 17 -2.859 -0.741 -1.222 157 HB ILE 17 HB ILE 17 -4.591 -1.171 1.268 158 HG12 ILE 17 1HG1 ILE 17 -4.777 -2.650 -1.429 159 HG13 ILE 17 2HG1 ILE 17 -4.295 -3.342 0.112 160 HG21 ILE 17 1HG2 ILE 17 -5.110 0.949 -0.065 161 HG22 ILE 17 2HG2 ILE 17 -5.349 -0.036 -1.525 162 HG23 ILE 17 3HG2 ILE 17 -6.442 -0.198 -0.127 163 HD11 ILE 17 3HD1 ILE 17 -6.602 -4.004 -0.267 164 HD12 ILE 17 1HD1 ILE 17 -6.611 -2.829 1.075 165 HD13 ILE 17 2HD1 ILE 17 -7.127 -2.337 -0.558 166 H ASP 18 H ASP 18 -1.977 1.284 -1.251 167 HA ASP 18 HA ASP 18 -1.286 2.711 1.293 168 HB2 ASP 18 1HB ASP 18 -0.063 4.255 -0.107 169 HB3 ASP 18 2HB ASP 18 0.382 2.599 -0.425 170 H ILE 19 H ILE 19 -3.008 3.589 2.333 171 HA ILE 19 HA ILE 19 -4.927 5.431 0.777 172 HB ILE 19 HB ILE 19 -5.258 4.108 3.480 173 HG12 ILE 19 1HG1 ILE 19 -5.622 2.507 1.707 174 HG13 ILE 19 2HG1 ILE 19 -7.120 2.867 2.524 175 HG21 ILE 19 1HG2 ILE 19 -6.349 6.307 3.668 176 HG22 ILE 19 2HG2 ILE 19 -7.229 6.066 2.143 177 HG23 ILE 19 3HG2 ILE 19 -7.583 5.049 3.566 178 HD11 ILE 19 3HD1 ILE 19 -7.842 4.320 0.525 179 HD12 ILE 19 1HD1 ILE 19 -6.315 3.883 -0.294 180 HD13 ILE 19 2HD1 ILE 19 -7.512 2.631 0.089 181 H ARG 20 H ARG 20 -3.506 7.043 0.498 182 HA ARG 20 HA ARG 20 -2.404 8.567 2.854 183 HE ARG 20 HE ARG 20 -0.266 6.328 -2.122 184 HB2 ARG 20 1HB ARG 20 -0.989 9.785 1.220 185 HB3 ARG 20 2HB ARG 20 -0.742 8.078 1.461 186 HG2 ARG 20 1HG ARG 20 -2.101 7.665 -0.720 187 HG3 ARG 20 2HG ARG 20 -1.966 9.385 -1.040 188 HD2 ARG 20 1HD ARG 20 0.465 9.251 -1.306 189 HD3 ARG 20 2HD ARG 20 0.603 7.817 -0.322 190 HH11 ARG 20 2HH1 ARG 20 0.149 9.595 -3.209 191 HH12 ARG 20 1HH1 ARG 20 0.196 9.066 -4.966 192 HH21 ARG 20 2HH2 ARG 20 -0.238 5.774 -3.923 193 HH22 ARG 20 1HH2 ARG 20 -0.032 6.914 -5.374 194 H VAL 21 H VAL 21 -3.524 9.956 3.759 195 HA VAL 21 HA VAL 21 -5.565 11.703 2.259 196 HB VAL 21 HB VAL 21 -5.811 10.243 4.963 197 HG11 VAL 21 1HG1 VAL 21 -7.974 11.944 3.537 198 HG12 VAL 21 2HG1 VAL 21 -8.228 10.945 4.990 199 HG13 VAL 21 3HG1 VAL 21 -7.148 12.340 5.060 200 HG21 VAL 21 3HG2 VAL 21 -7.625 8.880 3.872 201 HG22 VAL 21 1HG2 VAL 21 -7.343 9.709 2.319 202 HG23 VAL 21 2HG2 VAL 21 -6.093 8.660 3.019 203 H SER 22 H SER 22 -5.820 13.790 2.807 204 HA SER 22 HA SER 22 -4.661 14.917 5.393 205 HG SER 22 HG SER 22 -4.581 17.767 4.130 206 HB2 SER 22 1HB SER 22 -2.943 15.469 3.703 207 HB3 SER 22 2HB SER 22 -4.145 16.157 2.609 208 H THR 23 H THR 23 -6.531 15.384 6.402 209 HA THR 23 HA THR 23 -8.623 17.165 5.147 210 HB THR 23 HB THR 23 -9.028 14.845 4.227 211 HG1 THR 23 HG1 THR 23 -11.223 14.872 4.716 212 HG21 THR 23 3HG2 THR 23 -9.947 13.037 5.596 213 HG22 THR 23 1HG2 THR 23 -8.418 13.507 6.364 214 HG23 THR 23 2HG2 THR 23 -9.938 14.044 7.073 215 H GLY 24 H GLY 24 -10.672 16.851 6.689 216 HA2 GLY 24 1HA GLY 24 -9.901 17.498 9.606 217 HA3 GLY 24 2HA GLY 24 -11.497 17.756 8.933 218 H LYS 25 H LYS 25 -12.936 15.997 8.847 219 HA LYS 25 HA LYS 25 -12.185 13.547 10.449 220 HB2 LYS 25 1HB LYS 25 -14.391 13.072 10.785 221 HB3 LYS 25 2HB LYS 25 -14.346 14.817 10.845 222 HG2 LYS 25 1HG LYS 25 -15.324 14.914 8.482 223 HG3 LYS 25 2HG LYS 25 -15.232 13.163 8.396 224 HD2 LYS 25 1HD LYS 25 -16.752 13.307 10.671 225 HD3 LYS 25 2HD LYS 25 -17.206 14.859 10.013 226 HE2 LYS 25 1HE LYS 25 -17.357 12.124 8.540 227 HE3 LYS 25 2HE LYS 25 -18.697 12.835 9.402 228 HZ1 LYS 25 3HZ LYS 25 -17.299 14.017 6.955 229 HZ2 LYS 25 1HZ LYS 25 -18.844 13.437 7.002 230 HZ3 LYS 25 2HZ LYS 25 -18.468 14.841 7.795 231 H GLU 26 H GLU 26 -12.748 14.032 7.009 232 HA GLU 26 HA GLU 26 -13.875 11.598 6.394 233 HB2 GLU 26 1HB GLU 26 -12.054 13.096 4.443 234 HB3 GLU 26 2HB GLU 26 -13.312 11.958 4.030 235 HG2 GLU 26 1HG GLU 26 -13.806 14.743 5.264 236 HG3 GLU 26 2HG GLU 26 -14.140 14.222 3.621 237 H LEU 27 H LEU 27 -10.748 11.447 7.331 238 HA LEU 27 HA LEU 27 -9.867 8.820 6.236 239 HG LEU 27 HG LEU 27 -7.330 8.955 9.097 240 HB2 LEU 27 1HB LEU 27 -8.352 10.301 7.519 241 HB3 LEU 27 2HB LEU 27 -9.388 10.259 8.921 242 HD11 LEU 27 1HD1 LEU 27 -9.670 7.072 9.523 243 HD12 LEU 27 2HD1 LEU 27 -8.086 7.048 10.312 244 HD13 LEU 27 3HD1 LEU 27 -9.200 8.398 10.602 245 HD21 LEU 27 3HD2 LEU 27 -8.469 6.927 7.088 246 HD22 LEU 27 1HD2 LEU 27 -7.121 8.050 6.770 247 HD23 LEU 27 2HD2 LEU 27 -6.946 6.778 7.996 248 H GLU 28 H GLU 28 -11.905 9.788 8.978 249 HA GLU 28 HA GLU 28 -12.965 7.396 10.118 250 HB2 GLU 28 1HB GLU 28 -13.519 9.794 10.731 251 HB3 GLU 28 2HB GLU 28 -14.310 10.007 9.191 252 HG2 GLU 28 1HG GLU 28 -15.944 7.996 10.181 253 HG3 GLU 28 2HG GLU 28 -15.364 8.643 11.708 254 H ARG 29 H ARG 29 -14.231 8.865 7.149 255 HA ARG 29 HA ARG 29 -16.103 6.549 6.667 256 HE ARG 29 HE ARG 29 -17.208 11.271 4.799 257 HB2 ARG 29 1HB ARG 29 -15.567 9.008 4.900 258 HB3 ARG 29 2HB ARG 29 -16.731 7.744 4.544 259 HG2 ARG 29 1HG ARG 29 -17.711 8.255 6.987 260 HG3 ARG 29 2HG ARG 29 -16.825 9.750 6.895 261 HD2 ARG 29 1HD ARG 29 -18.944 8.765 4.867 262 HD3 ARG 29 2HD ARG 29 -19.276 9.859 6.217 263 HH11 ARG 29 2HH1 ARG 29 -20.288 9.978 3.767 264 HH12 ARG 29 1HH1 ARG 29 -20.412 11.262 2.465 265 HH21 ARG 29 2HH2 ARG 29 -17.363 12.552 3.441 266 HH22 ARG 29 1HH2 ARG 29 -18.790 12.704 2.256 267 H ALA 30 H ALA 30 -13.005 7.468 5.163 268 HA ALA 30 HA ALA 30 -12.888 5.082 3.361 269 HB1 ALA 30 3HB ALA 30 -11.494 7.114 2.944 270 HB2 ALA 30 1HB ALA 30 -10.637 6.880 4.490 271 HB3 ALA 30 2HB ALA 30 -10.459 5.691 3.180 272 H LEU 31 H LEU 31 -11.663 5.669 6.688 273 HA LEU 31 HA LEU 31 -10.582 2.983 7.164 274 HG LEU 31 HG LEU 31 -10.594 2.629 9.880 275 HB2 LEU 31 1HB LEU 31 -10.079 5.193 8.356 276 HB3 LEU 31 2HB LEU 31 -11.644 5.148 9.077 277 HD11 LEU 31 1HD1 LEU 31 -8.211 3.138 10.644 278 HD12 LEU 31 2HD1 LEU 31 -8.354 3.114 8.872 279 HD13 LEU 31 3HD1 LEU 31 -8.253 4.660 9.743 280 HD21 LEU 31 3HD2 LEU 31 -10.407 5.362 11.308 281 HD22 LEU 31 1HD2 LEU 31 -11.738 4.191 11.399 282 HD23 LEU 31 2HD2 LEU 31 -10.159 3.784 12.099 283 H GLN 32 H GLN 32 -13.911 4.240 7.776 284 HA GLN 32 HA GLN 32 -15.071 1.689 8.648 285 HB2 GLN 32 1HB GLN 32 -15.989 4.066 8.866 286 HB3 GLN 32 2HB GLN 32 -16.312 4.090 7.141 287 HG2 GLN 32 1HG GLN 32 -17.970 2.208 7.434 288 HG3 GLN 32 2HG GLN 32 -17.626 2.126 9.153 289 HE21 GLN 32 1HE2 GLN 32 -18.492 3.807 10.483 290 HE22 GLN 32 2HE2 GLN 32 -19.642 5.071 9.790 291 H GLU 33 H GLU 33 -14.490 2.850 5.306 292 HA GLU 33 HA GLU 33 -15.594 0.339 4.079 293 HB2 GLU 33 1HB GLU 33 -15.414 2.471 2.784 294 HB3 GLU 33 2HB GLU 33 -13.664 2.354 2.830 295 HG2 GLU 33 1HG GLU 33 -14.499 1.547 0.647 296 HG3 GLU 33 2HG GLU 33 -13.763 0.198 1.493 297 H LEU 34 H LEU 34 -12.303 1.294 5.182 298 HA LEU 34 HA LEU 34 -11.005 -1.256 4.537 299 HG LEU 34 HG LEU 34 -10.001 1.723 4.529 300 HB2 LEU 34 1HB LEU 34 -10.321 0.651 6.834 301 HB3 LEU 34 2HB LEU 34 -9.319 -0.684 6.325 302 HD11 LEU 34 1HD1 LEU 34 -7.657 2.450 4.961 303 HD12 LEU 34 2HD1 LEU 34 -8.562 2.384 6.474 304 HD13 LEU 34 3HD1 LEU 34 -7.411 1.092 6.090 305 HD21 LEU 34 3HD2 LEU 34 -8.138 0.846 3.062 306 HD22 LEU 34 1HD2 LEU 34 -8.024 -0.613 4.075 307 HD23 LEU 34 2HD2 LEU 34 -9.497 -0.277 3.136 308 H GLU 35 H GLU 35 -12.716 -0.440 7.623 309 HA GLU 35 HA GLU 35 -12.358 -3.098 8.794 310 HB2 GLU 35 1HB GLU 35 -13.860 -2.525 10.473 311 HB3 GLU 35 2HB GLU 35 -13.144 -1.008 10.005 312 HG2 GLU 35 1HG GLU 35 -15.287 -0.523 8.654 313 HG3 GLU 35 2HG GLU 35 -15.989 -1.976 9.321 314 H LYS 36 H LYS 36 -15.002 -1.971 6.782 315 HA LYS 36 HA LYS 36 -16.449 -4.486 6.326 316 HB2 LYS 36 1HB LYS 36 -17.326 -2.233 5.830 317 HB3 LYS 36 2HB LYS 36 -16.020 -1.916 4.703 318 HG2 LYS 36 1HG LYS 36 -16.889 -3.711 3.164 319 HG3 LYS 36 2HG LYS 36 -18.269 -3.985 4.237 320 HD2 LYS 36 1HD LYS 36 -19.129 -1.702 3.866 321 HD3 LYS 36 2HD LYS 36 -17.581 -1.151 3.241 322 HE2 LYS 36 1HE LYS 36 -17.878 -2.797 1.240 323 HE3 LYS 36 2HE LYS 36 -19.565 -3.017 1.763 324 HZ1 LYS 36 3HZ LYS 36 -19.271 -1.068 0.141 325 HZ2 LYS 36 1HZ LYS 36 -19.754 -0.459 1.611 326 HZ3 LYS 36 2HZ LYS 36 -18.173 -0.373 1.152 327 H ALA 37 H ALA 37 -13.804 -3.059 4.237 328 HA ALA 37 HA ALA 37 -13.477 -5.430 2.574 329 HB1 ALA 37 3HB ALA 37 -11.346 -4.354 1.865 330 HB2 ALA 37 1HB ALA 37 -12.638 -3.139 1.983 331 HB3 ALA 37 2HB ALA 37 -11.402 -3.250 3.259 332 H LEU 38 H LEU 38 -11.703 -4.699 5.634 333 HA LEU 38 HA LEU 38 -10.061 -7.154 5.565 334 HG LEU 38 HG LEU 38 -9.306 -4.272 6.402 335 HB2 LEU 38 1HB LEU 38 -10.981 -5.439 7.947 336 HB3 LEU 38 2HB LEU 38 -9.866 -6.776 8.109 337 HD11 LEU 38 1HD1 LEU 38 -7.713 -3.667 8.242 338 HD12 LEU 38 2HD1 LEU 38 -9.377 -3.751 8.845 339 HD13 LEU 38 3HD1 LEU 38 -8.241 -5.078 9.193 340 HD21 LEU 38 3HD2 LEU 38 -8.018 -6.159 5.479 341 HD22 LEU 38 1HD2 LEU 38 -6.903 -5.166 6.429 342 HD23 LEU 38 2HD2 LEU 38 -7.520 -6.694 7.098 343 H ALA 39 H ALA 39 -13.249 -6.656 7.161 344 HA ALA 39 HA ALA 39 -13.550 -9.525 7.913 345 HB1 ALA 39 3HB ALA 39 -15.931 -8.855 8.377 346 HB2 ALA 39 1HB ALA 39 -14.800 -7.680 9.073 347 HB3 ALA 39 2HB ALA 39 -15.668 -7.288 7.573 348 H ARG 40 H ARG 40 -14.815 -7.683 5.076 349 HA ARG 40 HA ARG 40 -15.958 -10.183 3.811 350 HE ARG 40 HE ARG 40 -19.527 -8.085 -0.067 351 HB2 ARG 40 1HB ARG 40 -16.981 -7.821 3.789 352 HB3 ARG 40 2HB ARG 40 -15.645 -7.309 2.765 353 HG2 ARG 40 1HG ARG 40 -16.418 -9.032 1.015 354 HG3 ARG 40 2HG ARG 40 -17.787 -9.426 2.048 355 HD2 ARG 40 1HD ARG 40 -18.634 -7.079 1.944 356 HD3 ARG 40 2HD ARG 40 -17.221 -6.519 1.082 357 HH11 ARG 40 2HH1 ARG 40 -16.213 -7.202 -0.646 358 HH12 ARG 40 1HH1 ARG 40 -16.383 -7.431 -2.453 359 HH21 ARG 40 2HH2 ARG 40 -19.686 -8.357 -2.116 360 HH22 ARG 40 1HH2 ARG 40 -18.268 -8.068 -3.221 361 H ALA 41 H ALA 41 -13.553 -10.892 4.199 362 HA ALA 41 HA ALA 41 -12.226 -11.312 1.538 363 HB1 ALA 41 3HB ALA 41 -10.762 -9.573 3.648 364 HB2 ALA 41 1HB ALA 41 -10.013 -10.233 2.168 365 HB3 ALA 41 2HB ALA 41 -11.326 -9.048 2.049 366 H GLY 42 H GLY 42 -11.525 -11.560 5.070 367 HA2 GLY 42 1HA GLY 42 -11.122 -13.717 6.254 368 HA3 GLY 42 2HA GLY 42 -10.896 -14.533 4.728 369 H ALA 43 H ALA 43 -9.291 -11.832 6.470 370 HA ALA 43 HA ALA 43 -6.572 -12.829 5.628 371 HB1 ALA 43 3HB ALA 43 -7.159 -10.391 5.561 372 HB2 ALA 43 1HB ALA 43 -7.326 -10.375 7.334 373 HB3 ALA 43 2HB ALA 43 -5.746 -10.717 6.587 374 H ARG 44 H ARG 44 -5.035 -13.589 6.937 375 HA ARG 44 HA ARG 44 -5.828 -14.680 9.700 376 HE ARG 44 HE ARG 44 -7.486 -18.453 7.029 377 HB2 ARG 44 1HB ARG 44 -3.604 -15.647 7.801 378 HB3 ARG 44 2HB ARG 44 -3.753 -16.129 9.464 379 HG2 ARG 44 1HG ARG 44 -4.699 -17.910 8.292 380 HG3 ARG 44 2HG ARG 44 -6.073 -17.097 9.016 381 HD2 ARG 44 1HD ARG 44 -6.705 -16.077 6.827 382 HD3 ARG 44 2HD ARG 44 -5.216 -16.597 6.082 383 HH11 ARG 44 2HH1 ARG 44 -4.700 -18.068 4.896 384 HH12 ARG 44 1HH1 ARG 44 -5.056 -19.661 4.106 385 HH21 ARG 44 2HH2 ARG 44 -7.803 -20.241 6.070 386 HH22 ARG 44 1HH2 ARG 44 -6.712 -20.801 4.725 387 H ASN 45 H ASN 45 -3.148 -12.990 8.041 388 HA ASN 45 HA ASN 45 -2.602 -11.498 10.651 389 HB2 ASN 45 1HB ASN 45 -0.552 -11.517 8.387 390 HB3 ASN 45 2HB ASN 45 -0.364 -10.932 10.012 391 HD21 ASN 45 1HD2 ASN 45 1.057 -12.972 8.257 392 HD22 ASN 45 2HD2 ASN 45 1.218 -14.403 9.418 393 H VAL 46 H VAL 46 -2.669 -9.292 10.539 394 HA VAL 46 HA VAL 46 -3.022 -7.931 7.799 395 HB VAL 46 HB VAL 46 -4.681 -7.228 10.273 396 HG11 VAL 46 1HG1 VAL 46 -4.056 -5.142 9.051 397 HG12 VAL 46 2HG1 VAL 46 -4.629 -5.826 7.512 398 HG13 VAL 46 3HG1 VAL 46 -5.775 -5.482 8.835 399 HG21 VAL 46 3HG2 VAL 46 -5.654 -8.234 7.516 400 HG22 VAL 46 1HG2 VAL 46 -5.594 -9.217 8.988 401 HG23 VAL 46 2HG2 VAL 46 -6.671 -7.823 8.933 402 H GLN 47 H GLN 47 -1.119 -6.977 7.582 403 HA GLN 47 HA GLN 47 0.384 -5.940 10.079 404 HB2 GLN 47 1HB GLN 47 1.526 -6.736 7.347 405 HB3 GLN 47 2HB GLN 47 2.420 -5.974 8.645 406 HG2 GLN 47 1HG GLN 47 1.646 -8.014 10.159 407 HG3 GLN 47 2HG GLN 47 1.115 -8.763 8.665 408 HE21 GLN 47 1HE2 GLN 47 2.628 -10.437 8.641 409 HE22 GLN 47 2HE2 GLN 47 4.443 -10.139 8.712 410 H ILE 48 H ILE 48 -0.931 -4.117 10.236 411 HA ILE 48 HA ILE 48 -1.212 -2.276 7.854 412 HB ILE 48 HB ILE 48 -3.159 -3.139 9.223 413 HG12 ILE 48 1HG1 ILE 48 -3.071 -0.091 9.168 414 HG13 ILE 48 2HG1 ILE 48 -3.209 -1.062 7.721 415 HG21 ILE 48 1HG2 ILE 48 -3.758 -2.089 11.401 416 HG22 ILE 48 2HG2 ILE 48 -2.172 -2.861 11.553 417 HG23 ILE 48 3HG2 ILE 48 -2.269 -1.106 11.366 418 HD11 ILE 48 3HD1 ILE 48 -5.338 -2.189 8.722 419 HD12 ILE 48 1HD1 ILE 48 -5.278 -0.954 10.004 420 HD13 ILE 48 2HD1 ILE 48 -5.493 -0.473 8.309 421 H THR 49 H THR 49 -0.353 -0.176 7.737 422 HA THR 49 HA THR 49 1.484 0.618 10.047 423 HB THR 49 HB THR 49 2.366 0.558 7.098 424 HG1 THR 49 HG1 THR 49 2.087 -1.453 8.364 425 HG21 THR 49 3HG2 THR 49 3.975 1.196 9.666 426 HG22 THR 49 1HG2 THR 49 4.700 0.893 8.070 427 HG23 THR 49 2HG2 THR 49 3.649 2.304 8.319 428 H ILE 50 H ILE 50 1.270 2.631 10.653 429 HA ILE 50 HA ILE 50 -0.045 4.622 8.736 430 HB ILE 50 HB ILE 50 -1.334 4.018 10.751 431 HG12 ILE 50 1HG1 ILE 50 -2.066 5.826 9.443 432 HG13 ILE 50 2HG1 ILE 50 -2.267 6.236 11.119 433 HG21 ILE 50 1HG2 ILE 50 0.462 4.043 12.499 434 HG22 ILE 50 2HG2 ILE 50 0.508 5.816 12.410 435 HG23 ILE 50 3HG2 ILE 50 -0.976 4.977 12.935 436 HD11 ILE 50 3HD1 ILE 50 0.019 7.612 10.846 437 HD12 ILE 50 1HD1 ILE 50 -0.238 7.388 9.102 438 HD13 ILE 50 2HD1 ILE 50 -1.437 8.262 10.055 439 H SER 51 H SER 51 1.421 5.807 7.761 440 HA SER 51 HA SER 51 4.049 6.590 9.013 441 HG SER 51 HG SER 51 5.581 7.311 7.005 442 HB2 SER 51 1HB SER 51 3.775 6.143 6.526 443 HB3 SER 51 2HB SER 51 2.790 7.608 6.405 444 H ALA 52 H ALA 52 3.752 7.839 10.755 445 HA ALA 52 HA ALA 52 1.711 10.074 10.801 446 HB1 ALA 52 3HB ALA 52 2.021 9.947 13.271 447 HB2 ALA 52 1HB ALA 52 1.737 8.322 12.616 448 HB3 ALA 52 2HB ALA 52 3.381 8.825 13.086 449 H GLU 53 H GLU 53 2.119 12.147 11.182 450 HA GLU 53 HA GLU 53 4.693 13.339 10.541 451 HB2 GLU 53 1HB GLU 53 2.164 14.632 11.739 452 HB3 GLU 53 2HB GLU 53 3.537 15.521 11.101 453 HG2 GLU 53 1HG GLU 53 3.157 14.542 8.799 454 HG3 GLU 53 2HG GLU 53 1.777 13.629 9.396 455 H ASN 54 H ASN 54 3.254 12.909 13.757 456 HA ASN 54 HA ASN 54 5.797 13.925 15.091 457 HB2 ASN 54 1HB ASN 54 3.006 15.200 15.613 458 HB3 ASN 54 2HB ASN 54 4.346 15.367 16.716 459 HD21 ASN 54 1HD2 ASN 54 3.182 16.424 13.620 460 HD22 ASN 54 2HD2 ASN 54 4.488 17.711 13.458 461 H ASP 55 H ASP 55 5.630 13.673 17.567 462 HA ASP 55 HA ASP 55 5.110 10.868 18.213 463 HB2 ASP 55 1HB ASP 55 5.859 11.471 20.490 464 HB3 ASP 55 2HB ASP 55 6.968 11.944 19.230 465 H GLU 56 H GLU 56 3.423 13.704 19.691 466 HA GLU 56 HA GLU 56 1.209 12.131 20.720 467 HB2 GLU 56 1HB GLU 56 1.135 15.103 19.935 468 HB3 GLU 56 2HB GLU 56 -0.156 14.262 20.773 469 HG2 GLU 56 1HG GLU 56 1.568 13.633 22.637 470 HG3 GLU 56 2HG GLU 56 2.684 14.758 21.868 471 H GLN 57 H GLN 57 1.426 13.439 17.473 472 HA GLN 57 HA GLN 57 -1.180 12.452 16.410 473 HB2 GLN 57 1HB GLN 57 1.538 12.991 15.072 474 HB3 GLN 57 2HB GLN 57 0.221 12.312 14.170 475 HG2 GLN 57 1HG GLN 57 -0.100 15.004 15.634 476 HG3 GLN 57 2HG GLN 57 0.593 14.885 14.030 477 HE21 GLN 57 1HE2 GLN 57 -0.812 14.595 12.263 478 HE22 GLN 57 2HE2 GLN 57 -2.631 14.524 12.518 479 H ALA 58 H ALA 58 2.099 10.883 16.362 480 HA ALA 58 HA ALA 58 1.253 8.283 15.432 481 HB1 ALA 58 3HB ALA 58 3.468 7.532 16.366 482 HB2 ALA 58 1HB ALA 58 3.628 9.078 15.520 483 HB3 ALA 58 2HB ALA 58 3.606 9.040 17.296 484 H LYS 59 H LYS 59 1.100 9.465 18.799 485 HA LYS 59 HA LYS 59 0.266 6.876 19.996 486 HB2 LYS 59 1HB LYS 59 1.080 8.651 21.455 487 HB3 LYS 59 2HB LYS 59 -0.152 9.784 20.921 488 HG2 LYS 59 1HG LYS 59 -1.970 8.443 21.935 489 HG3 LYS 59 2HG LYS 59 -0.887 7.132 22.346 490 HD2 LYS 59 1HD LYS 59 0.209 8.415 24.096 491 HD3 LYS 59 2HD LYS 59 -0.387 9.943 23.477 492 HE2 LYS 59 1HE LYS 59 -1.594 9.354 25.544 493 HE3 LYS 59 2HE LYS 59 -2.701 9.499 24.185 494 HZ1 LYS 59 3HZ LYS 59 -1.684 6.759 24.950 495 HZ2 LYS 59 1HZ LYS 59 -3.046 7.388 25.650 496 HZ3 LYS 59 2HZ LYS 59 -2.958 7.077 24.044 497 H GLU 60 H GLU 60 -1.930 9.678 19.147 498 HA GLU 60 HA GLU 60 -4.268 7.920 19.224 499 HB2 GLU 60 1HB GLU 60 -3.790 10.797 18.395 500 HB3 GLU 60 2HB GLU 60 -5.209 10.048 17.716 501 HG2 GLU 60 1HG GLU 60 -4.638 10.075 20.746 502 HG3 GLU 60 2HG GLU 60 -5.646 11.235 19.903 503 H LEU 61 H LEU 61 -2.276 8.687 16.373 504 HA LEU 61 HA LEU 61 -3.980 7.124 14.512 505 HG LEU 61 HG LEU 61 -2.834 9.811 14.237 506 HB2 LEU 61 1HB LEU 61 -1.009 7.912 14.430 507 HB3 LEU 61 2HB LEU 61 -1.811 7.146 13.095 508 HD11 LEU 61 1HD1 LEU 61 -0.469 10.119 13.531 509 HD12 LEU 61 2HD1 LEU 61 -0.824 9.465 11.927 510 HD13 LEU 61 3HD1 LEU 61 -1.576 10.986 12.455 511 HD21 LEU 61 3HD2 LEU 61 -4.494 8.605 12.787 512 HD22 LEU 61 1HD2 LEU 61 -3.907 10.071 11.985 513 HD23 LEU 61 2HD2 LEU 61 -3.293 8.480 11.483 514 H LEU 62 H LEU 62 -1.196 6.012 16.510 515 HA LEU 62 HA LEU 62 -1.525 3.121 16.003 516 HG LEU 62 HG LEU 62 -1.229 2.773 19.501 517 HB2 LEU 62 1HB LEU 62 0.429 3.970 17.188 518 HB3 LEU 62 2HB LEU 62 -0.533 4.804 18.364 519 HD11 LEU 62 1HD1 LEU 62 -1.284 1.098 17.674 520 HD12 LEU 62 2HD1 LEU 62 0.477 1.200 17.471 521 HD13 LEU 62 3HD1 LEU 62 -0.216 0.540 18.970 522 HD21 LEU 62 3HD2 LEU 62 0.860 3.919 20.208 523 HD22 LEU 62 1HD2 LEU 62 0.986 2.174 20.470 524 HD23 LEU 62 2HD2 LEU 62 1.828 2.927 19.091 525 H GLU 63 H GLU 63 -2.970 5.085 18.651 526 HA GLU 63 HA GLU 63 -4.580 2.852 19.602 527 HB2 GLU 63 1HB GLU 63 -4.748 5.835 20.310 528 HB3 GLU 63 2HB GLU 63 -5.628 4.561 21.140 529 HG2 GLU 63 1HG GLU 63 -3.500 3.420 21.822 530 HG3 GLU 63 2HG GLU 63 -2.548 4.602 20.947 531 H LEU 64 H LEU 64 -5.633 5.533 17.456 532 HA LEU 64 HA LEU 64 -8.369 4.619 16.972 533 HG LEU 64 HG LEU 64 -9.199 5.377 14.606 534 HB2 LEU 64 1HB LEU 64 -7.504 6.769 16.297 535 HB3 LEU 64 2HB LEU 64 -6.313 6.072 15.243 536 HD11 LEU 64 1HD1 LEU 64 -8.036 8.183 14.030 537 HD12 LEU 64 2HD1 LEU 64 -9.573 7.534 13.405 538 HD13 LEU 64 3HD1 LEU 64 -9.371 7.814 15.145 539 HD21 LEU 64 3HD2 LEU 64 -7.325 4.506 13.152 540 HD22 LEU 64 1HD2 LEU 64 -8.341 5.628 12.243 541 HD23 LEU 64 2HD2 LEU 64 -6.762 6.164 12.848 542 H ILE 65 H ILE 65 -5.340 3.432 15.427 543 HA ILE 65 HA ILE 65 -6.710 1.274 13.891 544 HB ILE 65 HB ILE 65 -3.775 1.585 14.696 545 HG12 ILE 65 1HG1 ILE 65 -5.189 1.797 11.947 546 HG13 ILE 65 2HG1 ILE 65 -4.735 3.174 12.931 547 HG21 ILE 65 1HG2 ILE 65 -4.351 -0.924 14.434 548 HG22 ILE 65 2HG2 ILE 65 -4.892 -0.566 12.775 549 HG23 ILE 65 3HG2 ILE 65 -3.196 -0.327 13.263 550 HD11 ILE 65 3HD1 ILE 65 -3.076 2.830 11.152 551 HD12 ILE 65 1HD1 ILE 65 -2.289 2.587 12.726 552 HD13 ILE 65 2HD1 ILE 65 -2.709 1.195 11.689 553 H ALA 66 H ALA 66 -5.154 1.197 17.162 554 HA ALA 66 HA ALA 66 -5.912 -1.575 17.748 555 HB1 ALA 66 3HB ALA 66 -4.247 -0.269 19.127 556 HB2 ALA 66 1HB ALA 66 -5.569 0.749 19.760 557 HB3 ALA 66 2HB ALA 66 -5.523 -0.985 20.137 558 H ARG 67 H ARG 67 -7.803 1.405 18.548 559 HA ARG 67 HA ARG 67 -10.286 0.080 19.369 560 HE ARG 67 HE ARG 67 -10.214 5.111 19.004 561 HB2 ARG 67 1HB ARG 67 -9.705 2.788 18.028 562 HB3 ARG 67 2HB ARG 67 -11.343 2.243 18.180 563 HG2 ARG 67 1HG ARG 67 -11.507 3.177 20.194 564 HG3 ARG 67 2HG ARG 67 -10.535 1.890 20.828 565 HD2 ARG 67 1HD ARG 67 -9.608 3.953 21.642 566 HD3 ARG 67 2HD ARG 67 -8.442 3.327 20.484 567 HH11 ARG 67 2HH1 ARG 67 -7.824 5.440 21.532 568 HH12 ARG 67 1HH1 ARG 67 -7.330 7.125 20.922 569 HH21 ARG 67 2HH2 ARG 67 -9.618 7.002 18.371 570 HH22 ARG 67 1HH2 ARG 67 -8.308 7.938 19.263 571 H LEU 68 H LEU 68 -9.227 0.812 15.970 572 HA LEU 68 HA LEU 68 -11.571 -0.385 14.676 573 HG LEU 68 HG LEU 68 -10.617 -1.284 12.127 574 HB2 LEU 68 1HB LEU 68 -9.750 1.219 13.700 575 HB3 LEU 68 2HB LEU 68 -8.692 -0.157 13.632 576 HD11 LEU 68 1HD1 LEU 68 -11.941 0.553 10.851 577 HD12 LEU 68 2HD1 LEU 68 -12.474 0.301 12.523 578 HD13 LEU 68 3HD1 LEU 68 -11.461 1.700 12.103 579 HD21 LEU 68 3HD2 LEU 68 -8.412 -0.577 11.205 580 HD22 LEU 68 1HD2 LEU 68 -9.713 -0.143 10.077 581 HD23 LEU 68 2HD2 LEU 68 -8.965 1.105 11.099 582 H LEU 69 H LEU 69 -8.306 -1.895 15.183 583 HA LEU 69 HA LEU 69 -9.279 -4.554 14.252 584 HG LEU 69 HG LEU 69 -5.666 -4.461 13.330 585 HB2 LEU 69 1HB LEU 69 -6.622 -3.592 15.399 586 HB3 LEU 69 2HB LEU 69 -6.928 -5.284 15.181 587 HD11 LEU 69 1HD1 LEU 69 -6.918 -5.362 11.429 588 HD12 LEU 69 2HD1 LEU 69 -7.406 -6.283 12.861 589 HD13 LEU 69 3HD1 LEU 69 -8.487 -5.042 12.201 590 HD21 LEU 69 3HD2 LEU 69 -6.363 -2.848 11.667 591 HD22 LEU 69 1HD2 LEU 69 -7.940 -2.605 12.461 592 HD23 LEU 69 2HD2 LEU 69 -6.446 -2.082 13.276 593 H GLN 70 H GLN 70 -9.049 -3.273 17.552 594 HA GLN 70 HA GLN 70 -9.982 -5.797 18.843 595 HB2 GLN 70 1HB GLN 70 -10.267 -2.852 19.690 596 HB3 GLN 70 2HB GLN 70 -10.832 -4.198 20.662 597 HG2 GLN 70 1HG GLN 70 -8.508 -5.123 20.890 598 HG3 GLN 70 2HG GLN 70 -7.878 -3.885 19.824 599 HE21 GLN 70 1HE2 GLN 70 -9.173 -4.406 23.045 600 HE22 GLN 70 2HE2 GLN 70 -8.526 -2.788 23.652 601 H LYS 71 H LYS 71 -11.767 -3.050 17.346 602 HA LYS 71 HA LYS 71 -14.474 -4.177 17.745 603 HB2 LYS 71 1HB LYS 71 -14.000 -1.800 17.295 604 HB3 LYS 71 2HB LYS 71 -13.396 -2.140 15.700 605 HG2 LYS 71 1HG LYS 71 -16.312 -2.792 16.506 606 HG3 LYS 71 2HG LYS 71 -15.801 -1.177 16.047 607 HD2 LYS 71 1HD LYS 71 -14.895 -2.183 13.798 608 HD3 LYS 71 2HD LYS 71 -15.655 -3.683 14.264 609 HE2 LYS 71 1HE LYS 71 -17.238 -2.705 12.823 610 HE3 LYS 71 2HE LYS 71 -17.939 -2.431 14.420 611 HZ1 LYS 71 3HZ LYS 71 -16.278 -0.459 12.807 612 HZ2 LYS 71 1HZ LYS 71 -17.873 -0.342 12.934 613 HZ3 LYS 71 2HZ LYS 71 -16.928 -0.071 14.285 614 H LEU 72 H LEU 72 -12.181 -4.636 14.975 615 HA LEU 72 HA LEU 72 -13.884 -6.687 13.658 616 HG LEU 72 HG LEU 72 -11.190 -5.976 11.086 617 HB2 LEU 72 1HB LEU 72 -10.838 -6.227 13.550 618 HB3 LEU 72 2HB LEU 72 -11.617 -7.532 12.706 619 HD11 LEU 72 1HD1 LEU 72 -13.493 -7.024 10.936 620 HD12 LEU 72 2HD1 LEU 72 -14.191 -5.538 11.634 621 HD13 LEU 72 3HD1 LEU 72 -13.351 -5.482 10.072 622 HD21 LEU 72 3HD2 LEU 72 -10.819 -3.934 12.458 623 HD22 LEU 72 1HD2 LEU 72 -11.807 -3.606 11.033 624 HD23 LEU 72 2HD2 LEU 72 -12.578 -3.712 12.633 625 H GLY 73 H GLY 73 -11.434 -7.055 16.214 626 HA2 GLY 73 1HA GLY 73 -11.613 -8.952 17.857 627 HA3 GLY 73 2HA GLY 73 -12.352 -9.967 16.644 628 H TYR 74 H TYR 74 -9.315 -8.066 16.581 629 HA TYR 74 HA TYR 74 -7.736 -10.609 15.873 630 HD1 TYR 74 HD2 TYR 74 -9.384 -8.151 13.773 631 HD2 TYR 74 HD1 TYR 74 -5.493 -9.895 13.281 632 HE1 TYR 74 HE2 TYR 74 -9.937 -8.755 11.448 633 HE2 TYR 74 HE1 TYR 74 -6.053 -10.496 10.962 634 HH TYR 74 HH TYR 74 -9.278 -9.899 9.636 635 HB2 TYR 74 1HB TYR 74 -7.246 -7.616 15.367 636 HB3 TYR 74 2HB TYR 74 -5.955 -8.773 15.292 637 H LYS 75 H LYS 75 -7.086 -11.550 17.684 638 HA LYS 75 HA LYS 75 -6.715 -10.114 20.207 639 HB2 LYS 75 1HB LYS 75 -6.514 -12.221 21.282 640 HB3 LYS 75 2HB LYS 75 -7.756 -12.329 20.058 641 HG2 LYS 75 1HG LYS 75 -5.982 -13.511 18.519 642 HG3 LYS 75 2HG LYS 75 -4.884 -13.461 19.876 643 HD2 LYS 75 1HD LYS 75 -5.776 -15.643 19.788 644 HD3 LYS 75 2HD LYS 75 -6.400 -14.905 21.255 645 HE2 LYS 75 1HE LYS 75 -8.656 -14.579 20.241 646 HE3 LYS 75 2HE LYS 75 -8.057 -14.959 18.628 647 HZ1 LYS 75 3HZ LYS 75 -9.140 -16.953 19.659 648 HZ2 LYS 75 1HZ LYS 75 -7.549 -17.257 19.385 649 HZ3 LYS 75 2HZ LYS 75 -8.067 -16.944 20.909 650 H ASP 76 H ASP 76 -4.149 -11.423 18.088 651 HA ASP 76 HA ASP 76 -2.070 -10.713 20.228 652 HB2 ASP 76 1HB ASP 76 -2.057 -13.040 19.328 653 HB3 ASP 76 2HB ASP 76 -1.768 -12.435 17.711 654 H ILE 77 H ILE 77 -1.177 -8.804 20.031 655 HA ILE 77 HA ILE 77 -1.156 -7.260 17.364 656 HB ILE 77 HB ILE 77 -2.053 -6.264 20.126 657 HG12 ILE 77 1HG1 ILE 77 -3.755 -6.539 17.556 658 HG13 ILE 77 2HG1 ILE 77 -3.794 -7.663 18.885 659 HG21 ILE 77 1HG2 ILE 77 -2.525 -4.046 19.081 660 HG22 ILE 77 2HG2 ILE 77 -0.821 -4.438 18.880 661 HG23 ILE 77 3HG2 ILE 77 -1.932 -4.619 17.510 662 HD11 ILE 77 3HD1 ILE 77 -5.713 -6.212 19.127 663 HD12 ILE 77 1HD1 ILE 77 -4.600 -5.832 20.460 664 HD13 ILE 77 2HD1 ILE 77 -4.728 -4.738 19.054 665 H ASN 78 H ASN 78 0.981 -7.238 16.916 666 HA ASN 78 HA ASN 78 3.022 -6.436 19.051 667 HB2 ASN 78 1HB ASN 78 3.161 -8.021 16.537 668 HB3 ASN 78 2HB ASN 78 4.290 -6.701 16.439 669 HD21 ASN 78 1HD2 ASN 78 5.395 -8.889 16.229 670 HD22 ASN 78 2HD2 ASN 78 6.308 -9.301 17.787 671 H VAL 79 H VAL 79 3.767 -4.401 19.227 672 HA VAL 79 HA VAL 79 2.933 -2.307 17.121 673 HB VAL 79 HB VAL 79 3.354 -1.954 20.136 674 HG11 VAL 79 1HG1 VAL 79 2.491 0.136 18.021 675 HG12 VAL 79 2HG1 VAL 79 2.446 0.379 19.786 676 HG13 VAL 79 3HG1 VAL 79 3.994 0.158 18.968 677 HG21 VAL 79 3HG2 VAL 79 0.881 -1.457 20.199 678 HG22 VAL 79 1HG2 VAL 79 0.744 -1.829 18.461 679 HG23 VAL 79 2HG2 VAL 79 1.172 -3.104 19.624 680 H ARG 80 H ARG 80 4.601 -1.895 15.801 681 HA ARG 80 HA ARG 80 7.369 -1.310 17.028 682 HE ARG 80 HE ARG 80 10.664 -1.215 12.281 683 HB2 ARG 80 1HB ARG 80 7.360 -3.135 15.366 684 HB3 ARG 80 2HB ARG 80 6.637 -2.088 14.153 685 HG2 ARG 80 1HG ARG 80 8.651 -0.574 14.206 686 HG3 ARG 80 2HG ARG 80 9.375 -1.523 15.495 687 HD2 ARG 80 1HD ARG 80 9.559 -3.532 13.927 688 HD3 ARG 80 2HD ARG 80 8.725 -2.630 12.681 689 HH11 ARG 80 2HH1 ARG 80 11.288 -3.252 15.025 690 HH12 ARG 80 1HH1 ARG 80 13.056 -2.782 15.063 691 HH21 ARG 80 2HH2 ARG 80 12.653 -0.674 12.365 692 HH22 ARG 80 1HH2 ARG 80 13.770 -1.395 13.607 693 H VAL 81 H VAL 81 7.448 0.800 17.519 694 HA VAL 81 HA VAL 81 6.392 2.946 15.630 695 HB VAL 81 HB VAL 81 7.774 3.264 18.349 696 HG11 VAL 81 1HG1 VAL 81 6.289 5.374 16.623 697 HG12 VAL 81 2HG1 VAL 81 6.882 5.633 18.280 698 HG13 VAL 81 3HG1 VAL 81 8.028 5.339 16.973 699 HG21 VAL 81 3HG2 VAL 81 5.538 3.843 19.289 700 HG22 VAL 81 1HG2 VAL 81 4.751 3.536 17.727 701 HG23 VAL 81 2HG2 VAL 81 5.489 2.201 18.635 702 H ASN 82 H ASN 82 7.660 3.357 13.906 703 HA ASN 82 HA ASN 82 10.709 3.140 14.054 704 HB2 ASN 82 1HB ASN 82 9.278 2.029 12.225 705 HB3 ASN 82 2HB ASN 82 8.812 3.617 11.664 706 HD21 ASN 82 1HD2 ASN 82 10.183 4.485 10.098 707 HD22 ASN 82 2HD2 ASN 82 11.850 3.791 9.756 708 H GLY 83 H GLY 83 10.582 4.976 15.595 709 HA2 GLY 83 1HA GLY 83 11.131 7.328 16.063 710 HA3 GLY 83 2HA GLY 83 11.020 7.725 14.361 711 H THR 84 H THR 84 8.906 7.865 13.470 712 HA THR 84 HA THR 84 6.589 8.440 15.405 713 HB THR 84 HB THR 84 5.549 10.004 13.858 714 HG1 THR 84 HG1 THR 84 6.220 10.278 11.920 715 HG21 THR 84 3HG2 THR 84 7.068 11.026 15.569 716 HG22 THR 84 1HG2 THR 84 8.422 10.952 14.411 717 HG23 THR 84 2HG2 THR 84 7.013 11.974 14.058 718 H GLU 85 H GLU 85 7.455 6.997 12.251 719 HA GLU 85 HA GLU 85 4.748 6.301 11.454 720 HB2 GLU 85 1HB GLU 85 7.296 4.862 10.526 721 HB3 GLU 85 2HB GLU 85 5.743 4.923 9.721 722 HG2 GLU 85 1HG GLU 85 6.123 7.505 9.414 723 HG3 GLU 85 2HG GLU 85 7.740 7.265 10.060 724 H VAL 86 H VAL 86 3.432 4.734 12.241 725 HA VAL 86 HA VAL 86 4.673 2.656 14.124 726 HB VAL 86 HB VAL 86 1.742 3.447 14.290 727 HG11 VAL 86 1HG1 VAL 86 3.701 2.048 16.250 728 HG12 VAL 86 2HG1 VAL 86 2.030 2.498 16.628 729 HG13 VAL 86 3HG1 VAL 86 2.353 1.275 15.391 730 HG21 VAL 86 3HG2 VAL 86 2.381 4.867 16.316 731 HG22 VAL 86 1HG2 VAL 86 4.093 4.726 15.835 732 HG23 VAL 86 2HG2 VAL 86 2.931 5.547 14.782 733 H LYS 87 H LYS 87 4.809 0.711 13.387 734 HA LYS 87 HA LYS 87 2.848 -0.429 11.315 735 HB2 LYS 87 1HB LYS 87 5.187 -0.535 10.703 736 HB3 LYS 87 2HB LYS 87 5.644 -1.331 12.182 737 HG2 LYS 87 1HG LYS 87 3.518 -2.720 10.451 738 HG3 LYS 87 2HG LYS 87 5.126 -2.588 9.766 739 HD2 LYS 87 1HD LYS 87 6.150 -3.743 11.764 740 HD3 LYS 87 2HD LYS 87 4.596 -3.763 12.567 741 HE2 LYS 87 1HE LYS 87 4.976 -5.972 11.740 742 HE3 LYS 87 2HE LYS 87 3.630 -5.304 10.839 743 HZ1 LYS 87 3HZ LYS 87 5.133 -6.438 9.330 744 HZ2 LYS 87 1HZ LYS 87 5.335 -4.830 8.985 745 HZ3 LYS 87 2HZ LYS 87 6.472 -5.642 9.873 746 H ILE 88 H ILE 88 1.078 -1.255 12.260 747 HA ILE 88 HA ILE 88 1.283 -2.614 14.984 748 HB ILE 88 HB ILE 88 -1.286 -1.806 13.536 749 HG12 ILE 88 1HG1 ILE 88 -1.525 -0.068 15.451 750 HG13 ILE 88 2HG1 ILE 88 0.193 -0.268 15.764 751 HG21 ILE 88 1HG2 ILE 88 -0.830 -2.534 16.514 752 HG22 ILE 88 2HG2 ILE 88 -2.391 -2.269 15.694 753 HG23 ILE 88 3HG2 ILE 88 -1.402 -3.682 15.302 754 HD11 ILE 88 3HD1 ILE 88 0.741 0.771 13.592 755 HD12 ILE 88 1HD1 ILE 88 -0.924 0.621 13.013 756 HD13 ILE 88 2HD1 ILE 88 -0.519 1.767 14.318 757 H GLU 89 H GLU 89 1.661 -4.679 14.826 758 HA GLU 89 HA GLU 89 1.110 -6.275 12.280 759 HB2 GLU 89 1HB GLU 89 3.430 -5.875 13.297 760 HB3 GLU 89 2HB GLU 89 2.904 -6.693 14.730 761 HG2 GLU 89 1HG GLU 89 2.537 -8.834 13.376 762 HG3 GLU 89 2HG GLU 89 3.190 -8.020 11.955 763 H VAL 90 H VAL 90 -1.093 -6.833 12.592 764 HA VAL 90 HA VAL 90 -1.817 -8.233 15.189 765 HB VAL 90 HB VAL 90 -4.031 -7.685 15.009 766 HG11 VAL 90 1HG1 VAL 90 -4.064 -5.263 15.218 767 HG12 VAL 90 2HG1 VAL 90 -2.462 -5.825 15.761 768 HG13 VAL 90 3HG1 VAL 90 -2.642 -5.094 14.156 769 HG21 VAL 90 3HG2 VAL 90 -3.810 -6.194 12.329 770 HG22 VAL 90 1HG2 VAL 90 -4.357 -7.884 12.435 771 HG23 VAL 90 2HG2 VAL 90 -5.251 -6.636 13.284 772 H ARG 91 H ARG 91 -2.744 -10.186 15.339 773 HA ARG 91 HA ARG 91 -3.723 -11.612 12.863 774 HE ARG 91 HE ARG 91 0.785 -11.873 16.536 775 HB2 ARG 91 1HB ARG 91 -2.392 -13.718 13.367 776 HB3 ARG 91 2HB ARG 91 -1.569 -12.387 12.638 777 HG2 ARG 91 1HG ARG 91 -1.347 -12.516 15.655 778 HG3 ARG 91 2HG ARG 91 -0.585 -13.841 14.796 779 HD2 ARG 91 1HD ARG 91 0.865 -12.406 13.504 780 HD3 ARG 91 2HD ARG 91 0.022 -10.929 14.021 781 HH11 ARG 91 2HH1 ARG 91 2.701 -11.445 13.683 782 HH12 ARG 91 1HH1 ARG 91 3.933 -10.455 14.629 783 HH21 ARG 91 2HH2 ARG 91 2.184 -11.156 17.543 784 HH22 ARG 91 1HH2 ARG 91 3.799 -10.575 16.823 785 H VAL 92 H VAL 92 -4.945 -13.447 13.133 786 HA VAL 92 HA VAL 92 -6.851 -13.123 15.423 787 HB VAL 92 HB VAL 92 -7.021 -15.125 13.082 788 HG11 VAL 92 1HG1 VAL 92 -9.492 -15.148 13.541 789 HG12 VAL 92 2HG1 VAL 92 -8.607 -15.700 14.967 790 HG13 VAL 92 3HG1 VAL 92 -9.277 -14.051 14.923 791 HG21 VAL 92 3HG2 VAL 92 -6.995 -12.825 12.107 792 HG22 VAL 92 1HG2 VAL 92 -8.612 -13.512 11.970 793 HG23 VAL 92 2HG2 VAL 92 -8.273 -12.295 13.225 Start of MODEL 14 1 H HIS -1 H HIS -1 -1.455 21.327 7.473 2 HA HIS -1 HA HIS -1 -0.370 18.945 8.843 3 HD2 HIS -1 HD2 HIS -1 -1.453 16.944 10.137 4 HE1 HIS -1 HE1 HIS -1 -4.421 14.868 8.070 5 HE2 HIS -1 HE2 HIS -1 -2.660 14.582 9.948 6 HB2 HIS -1 1HB HIS -1 -2.824 19.502 9.254 7 HB3 HIS -1 2HB HIS -1 -3.121 19.437 7.529 8 H MET 0 H MET 0 1.217 18.223 7.514 9 HA MET 0 HA MET 0 0.590 17.816 4.528 10 HB2 MET 0 1HB MET 0 2.103 19.798 5.093 11 HB3 MET 0 2HB MET 0 3.278 18.672 5.750 12 HG2 MET 0 1HG MET 0 3.473 17.577 3.432 13 HG3 MET 0 2HG MET 0 2.246 18.700 2.821 14 HE1 MET 0 3HE MET 0 6.682 19.600 3.588 15 HE2 MET 0 1HE MET 0 5.760 18.536 4.696 16 HE3 MET 0 2HE MET 0 5.937 18.097 2.966 17 H LYS 1 H LYS 1 0.263 15.685 4.436 18 HA LYS 1 HA LYS 1 1.043 13.485 3.935 19 HB2 LYS 1 1HB LYS 1 3.420 14.185 3.883 20 HB3 LYS 1 2HB LYS 1 3.543 13.950 5.599 21 HG2 LYS 1 1HG LYS 1 2.561 11.427 4.645 22 HG3 LYS 1 2HG LYS 1 3.687 11.941 3.418 23 HD2 LYS 1 1HD LYS 1 4.907 10.585 4.989 24 HD3 LYS 1 2HD LYS 1 5.502 12.226 5.210 25 HE2 LYS 1 1HE LYS 1 4.154 12.517 7.299 26 HE3 LYS 1 2HE LYS 1 3.250 11.056 6.987 27 HZ1 LYS 1 3HZ LYS 1 6.243 10.963 7.410 28 HZ2 LYS 1 1HZ LYS 1 5.166 10.826 8.643 29 HZ3 LYS 1 2HZ LYS 1 5.194 9.679 7.460 30 H VAL 2 H VAL 2 -0.826 12.726 4.898 31 HA VAL 2 HA VAL 2 -0.174 10.984 7.336 32 HB VAL 2 HB VAL 2 -2.882 11.586 6.055 33 HG11 VAL 2 1HG1 VAL 2 -2.923 9.173 6.407 34 HG12 VAL 2 2HG1 VAL 2 -2.271 9.339 8.063 35 HG13 VAL 2 3HG1 VAL 2 -3.899 9.952 7.652 36 HG21 VAL 2 3HG2 VAL 2 -1.920 11.824 8.986 37 HG22 VAL 2 1HG2 VAL 2 -2.084 13.179 7.846 38 HG23 VAL 2 2HG2 VAL 2 -3.524 12.269 8.350 39 H ASP 3 H ASP 3 1.150 9.590 6.561 40 HA ASP 3 HA ASP 3 0.909 8.230 3.825 41 HB2 ASP 3 1HB ASP 3 2.985 9.317 4.215 42 HB3 ASP 3 2HB ASP 3 3.113 8.804 5.882 43 H ILE 4 H ILE 4 -0.451 6.511 3.965 44 HA ILE 4 HA ILE 4 -0.154 4.624 6.349 45 HB ILE 4 HB ILE 4 -2.471 4.178 6.536 46 HG12 ILE 4 1HG1 ILE 4 -3.931 6.333 5.374 47 HG13 ILE 4 2HG1 ILE 4 -2.851 5.884 4.088 48 HG21 ILE 4 1HG2 ILE 4 -1.926 7.172 6.832 49 HG22 ILE 4 2HG2 ILE 4 -3.172 6.236 7.706 50 HG23 ILE 4 3HG2 ILE 4 -1.441 5.914 7.967 51 HD11 ILE 4 3HD1 ILE 4 -3.710 3.536 4.094 52 HD12 ILE 4 1HD1 ILE 4 -4.660 3.841 5.578 53 HD13 ILE 4 2HD1 ILE 4 -5.096 4.647 4.063 54 H THR 5 H THR 5 0.291 2.683 5.908 55 HA THR 5 HA THR 5 -0.192 1.532 3.082 56 HB THR 5 HB THR 5 2.295 1.164 4.842 57 HG1 THR 5 HG1 THR 5 2.060 2.526 2.318 58 HG21 THR 5 3HG2 THR 5 1.919 -0.826 3.321 59 HG22 THR 5 1HG2 THR 5 1.766 0.265 1.925 60 HG23 THR 5 2HG2 THR 5 3.312 0.138 2.788 61 H ILE 6 H ILE 6 -1.823 0.186 3.396 62 HA ILE 6 HA ILE 6 -1.998 -1.528 5.925 63 HB ILE 6 HB ILE 6 -4.211 -0.770 3.966 64 HG12 ILE 6 1HG1 ILE 6 -3.520 1.344 4.858 65 HG13 ILE 6 2HG1 ILE 6 -5.056 0.909 5.557 66 HG21 ILE 6 1HG2 ILE 6 -4.805 -2.769 5.294 67 HG22 ILE 6 2HG2 ILE 6 -4.398 -1.947 6.811 68 HG23 ILE 6 3HG2 ILE 6 -5.783 -1.399 5.835 69 HD11 ILE 6 3HD1 ILE 6 -3.622 1.933 7.300 70 HD12 ILE 6 1HD1 ILE 6 -3.834 0.215 7.711 71 HD13 ILE 6 2HD1 ILE 6 -2.306 0.782 6.989 72 H LYS 7 H LYS 7 -0.817 -3.341 5.422 73 HA LYS 7 HA LYS 7 -1.346 -4.889 2.831 74 HB2 LYS 7 1HB LYS 7 0.776 -5.166 5.017 75 HB3 LYS 7 2HB LYS 7 0.551 -6.385 3.798 76 HG2 LYS 7 1HG LYS 7 1.083 -4.794 1.974 77 HG3 LYS 7 2HG LYS 7 1.231 -3.458 3.097 78 HD2 LYS 7 1HD LYS 7 3.332 -4.132 3.915 79 HD3 LYS 7 2HD LYS 7 2.925 -5.823 3.892 80 HE2 LYS 7 1HE LYS 7 4.598 -5.800 2.296 81 HE3 LYS 7 2HE LYS 7 3.143 -5.865 1.337 82 HZ1 LYS 7 3HZ LYS 7 3.303 -3.276 1.175 83 HZ2 LYS 7 1HZ LYS 7 4.823 -3.379 1.803 84 HZ3 LYS 7 2HZ LYS 7 4.430 -4.084 0.342 85 H ILE 8 H ILE 8 -3.146 -6.058 2.969 86 HA ILE 8 HA ILE 8 -3.926 -7.529 5.523 87 HB ILE 8 HB ILE 8 -5.550 -6.953 2.983 88 HG12 ILE 8 1HG1 ILE 8 -5.723 -5.450 5.673 89 HG13 ILE 8 2HG1 ILE 8 -4.910 -4.840 4.249 90 HG21 ILE 8 1HG2 ILE 8 -7.562 -7.585 4.356 91 HG22 ILE 8 2HG2 ILE 8 -6.417 -8.929 4.307 92 HG23 ILE 8 3HG2 ILE 8 -6.522 -7.904 5.763 93 HD11 ILE 8 3HD1 ILE 8 -7.944 -5.348 4.421 94 HD12 ILE 8 1HD1 ILE 8 -7.095 -3.793 4.360 95 HD13 ILE 8 2HD1 ILE 8 -7.076 -4.860 2.937 96 H GLN 9 H GLN 9 -2.774 -9.514 5.566 97 HA GLN 9 HA GLN 9 -2.390 -11.142 3.150 98 HB2 GLN 9 1HB GLN 9 -1.913 -11.961 6.047 99 HB3 GLN 9 2HB GLN 9 -1.553 -12.974 4.669 100 HG2 GLN 9 1HG GLN 9 -0.037 -11.274 3.701 101 HG3 GLN 9 2HG GLN 9 -0.317 -10.201 5.088 102 HE21 GLN 9 1HE2 GLN 9 2.027 -10.213 5.196 103 HE22 GLN 9 2HE2 GLN 9 2.839 -11.658 5.998 104 H ARG 10 H ARG 10 -3.924 -12.148 2.148 105 HA ARG 10 HA ARG 10 -5.735 -14.140 3.687 106 HE ARG 10 HE ARG 10 -8.657 -11.773 0.443 107 HB2 ARG 10 1HB ARG 10 -6.280 -12.735 1.011 108 HB3 ARG 10 2HB ARG 10 -7.203 -14.085 1.619 109 HG2 ARG 10 1HG ARG 10 -8.532 -12.764 2.925 110 HG3 ARG 10 2HG ARG 10 -7.159 -12.169 3.802 111 HD2 ARG 10 1HD ARG 10 -8.233 -10.239 2.982 112 HD3 ARG 10 2HD ARG 10 -6.749 -10.381 2.022 113 HH11 ARG 10 2HH1 ARG 10 -8.584 -8.550 1.745 114 HH12 ARG 10 1HH1 ARG 10 -9.674 -7.902 0.426 115 HH21 ARG 10 2HH2 ARG 10 -9.849 -11.005 -1.067 116 HH22 ARG 10 1HH2 ARG 10 -10.327 -9.250 -1.107 117 H ASP 11 H ASP 11 -4.111 -15.623 3.804 118 HA ASP 11 HA ASP 11 -2.562 -17.283 3.204 119 HB2 ASP 11 1HB ASP 11 -4.862 -17.786 1.251 120 HB3 ASP 11 2HB ASP 11 -3.457 -18.835 1.276 121 H GLY 12 H GLY 12 -0.868 -15.892 2.800 122 HA2 GLY 12 1HA GLY 12 1.140 -15.411 1.454 123 HA3 GLY 12 2HA GLY 12 0.381 -16.094 0.038 124 H GLN 13 H GLN 13 -1.945 -14.476 0.033 125 HA GLN 13 HA GLN 13 -0.872 -12.253 -1.581 126 HB2 GLN 13 1HB GLN 13 -3.774 -12.895 -0.777 127 HB3 GLN 13 2HB GLN 13 -3.311 -11.782 -2.045 128 HG2 GLN 13 1HG GLN 13 -2.443 -13.578 -3.479 129 HG3 GLN 13 2HG GLN 13 -2.536 -14.772 -2.200 130 HE21 GLN 13 1HE2 GLN 13 -4.769 -15.239 -1.334 131 HE22 GLN 13 2HE2 GLN 13 -6.091 -15.237 -2.622 132 H GLU 14 H GLU 14 0.132 -10.670 -0.267 133 HA GLU 14 HA GLU 14 -1.381 -9.157 1.813 134 HB2 GLU 14 1HB GLU 14 1.276 -8.532 0.391 135 HB3 GLU 14 2HB GLU 14 0.484 -7.380 1.447 136 HG2 GLU 14 1HG GLU 14 0.378 -9.142 3.269 137 HG3 GLU 14 2HG GLU 14 1.407 -10.198 2.284 138 H ILE 15 H ILE 15 -3.276 -8.477 1.085 139 HA ILE 15 HA ILE 15 -3.622 -6.973 -1.491 140 HB ILE 15 HB ILE 15 -5.629 -7.425 0.762 141 HG12 ILE 15 1HG1 ILE 15 -5.077 -9.612 -0.072 142 HG13 ILE 15 2HG1 ILE 15 -6.664 -9.183 -0.648 143 HG21 ILE 15 1HG2 ILE 15 -6.332 -5.488 -0.626 144 HG22 ILE 15 2HG2 ILE 15 -6.160 -6.443 -2.114 145 HG23 ILE 15 3HG2 ILE 15 -7.409 -6.862 -0.918 146 HD11 ILE 15 3HD1 ILE 15 -5.432 -10.348 -2.441 147 HD12 ILE 15 1HD1 ILE 15 -5.670 -8.664 -2.964 148 HD13 ILE 15 2HD1 ILE 15 -4.083 -9.198 -2.349 149 H GLU 16 H GLU 16 -2.314 -5.280 -1.352 150 HA GLU 16 HA GLU 16 -2.095 -3.567 1.007 151 HB2 GLU 16 1HB GLU 16 -0.204 -4.451 -0.168 152 HB3 GLU 16 2HB GLU 16 -0.614 -3.629 -1.665 153 HG2 GLU 16 1HG GLU 16 -0.009 -1.454 -0.818 154 HG3 GLU 16 2HG GLU 16 -0.161 -1.935 0.867 155 H ILE 17 H ILE 17 -3.323 -1.918 1.436 156 HA ILE 17 HA ILE 17 -4.168 0.055 -0.785 157 HB ILE 17 HB ILE 17 -5.359 -0.211 2.009 158 HG12 ILE 17 1HG1 ILE 17 -7.524 -0.546 0.421 159 HG13 ILE 17 2HG1 ILE 17 -6.368 -1.019 -0.794 160 HG21 ILE 17 1HG2 ILE 17 -6.995 1.549 1.283 161 HG22 ILE 17 2HG2 ILE 17 -5.350 2.188 1.317 162 HG23 ILE 17 3HG2 ILE 17 -6.103 1.775 -0.241 163 HD11 ILE 17 3HD1 ILE 17 -7.412 -2.949 0.554 164 HD12 ILE 17 1HD1 ILE 17 -5.643 -2.976 0.608 165 HD13 ILE 17 2HD1 ILE 17 -6.559 -2.366 2.003 166 H ASP 18 H ASP 18 -2.245 0.978 -1.076 167 HA ASP 18 HA ASP 18 -0.890 2.500 1.192 168 HB2 ASP 18 1HB ASP 18 0.450 0.954 -0.315 169 HB3 ASP 18 2HB ASP 18 0.086 1.996 -1.689 170 H ILE 19 H ILE 19 -1.766 4.466 1.530 171 HA ILE 19 HA ILE 19 -2.082 6.328 -0.840 172 HB ILE 19 HB ILE 19 -4.093 7.446 -0.180 173 HG12 ILE 19 1HG1 ILE 19 -5.754 6.063 1.409 174 HG13 ILE 19 2HG1 ILE 19 -4.279 5.468 2.129 175 HG21 ILE 19 1HG2 ILE 19 -4.652 4.452 -0.548 176 HG22 ILE 19 2HG2 ILE 19 -5.739 5.799 -0.963 177 HG23 ILE 19 3HG2 ILE 19 -4.212 5.585 -1.842 178 HD11 ILE 19 3HD1 ILE 19 -5.099 8.468 1.881 179 HD12 ILE 19 1HD1 ILE 19 -5.242 7.474 3.345 180 HD13 ILE 19 2HD1 ILE 19 -3.638 7.888 2.717 181 H ARG 20 H ARG 20 -1.648 8.426 -0.535 182 HA ARG 20 HA ARG 20 -0.110 9.152 2.026 183 HE ARG 20 HE ARG 20 3.707 7.231 2.156 184 HB2 ARG 20 1HB ARG 20 1.136 7.923 0.094 185 HB3 ARG 20 2HB ARG 20 1.006 9.386 -0.850 186 HG2 ARG 20 1HG ARG 20 2.504 10.581 0.622 187 HG3 ARG 20 2HG ARG 20 2.248 9.492 1.976 188 HD2 ARG 20 1HD ARG 20 3.692 8.633 -0.640 189 HD3 ARG 20 2HD ARG 20 4.509 9.239 0.782 190 HH11 ARG 20 2HH1 ARG 20 3.097 6.785 -1.301 191 HH12 ARG 20 1HH1 ARG 20 2.592 5.032 -0.908 192 HH21 ARG 20 2HH2 ARG 20 3.176 5.465 2.412 193 HH22 ARG 20 1HH2 ARG 20 2.619 4.317 1.048 194 H VAL 21 H VAL 21 -1.859 10.528 2.517 195 HA VAL 21 HA VAL 21 -2.239 13.015 0.736 196 HB VAL 21 HB VAL 21 -4.470 11.146 1.771 197 HG11 VAL 21 1HG1 VAL 21 -4.860 13.811 0.240 198 HG12 VAL 21 2HG1 VAL 21 -6.139 12.628 0.589 199 HG13 VAL 21 3HG1 VAL 21 -5.368 13.476 1.915 200 HG21 VAL 21 3HG2 VAL 21 -3.492 10.258 -0.342 201 HG22 VAL 21 1HG2 VAL 21 -5.109 10.882 -0.667 202 HG23 VAL 21 2HG2 VAL 21 -3.677 11.834 -1.142 203 H SER 22 H SER 22 -3.210 14.822 1.919 204 HA SER 22 HA SER 22 -2.578 14.812 4.926 205 HG SER 22 HG SER 22 -1.305 16.290 2.647 206 HB2 SER 22 1HB SER 22 -3.304 17.249 3.229 207 HB3 SER 22 2HB SER 22 -2.763 17.213 4.909 208 H THR 23 H THR 23 -4.232 13.371 5.319 209 HA THR 23 HA THR 23 -6.899 13.631 4.300 210 HB THR 23 HB THR 23 -7.460 11.625 5.630 211 HG1 THR 23 HG1 THR 23 -6.075 12.459 7.412 212 HG21 THR 23 3HG2 THR 23 -5.821 9.991 4.810 213 HG22 THR 23 1HG2 THR 23 -6.151 11.193 3.539 214 HG23 THR 23 2HG2 THR 23 -4.636 11.259 4.470 215 H GLY 24 H GLY 24 -8.727 14.513 4.992 216 HA2 GLY 24 1HA GLY 24 -9.129 15.533 7.865 217 HA3 GLY 24 2HA GLY 24 -10.178 15.816 6.490 218 H LYS 25 H LYS 25 -11.853 14.397 6.107 219 HA LYS 25 HA LYS 25 -12.192 11.918 7.909 220 HB2 LYS 25 1HB LYS 25 -14.285 13.402 6.215 221 HB3 LYS 25 2HB LYS 25 -14.565 11.874 7.030 222 HG2 LYS 25 1HG LYS 25 -14.114 12.904 9.282 223 HG3 LYS 25 2HG LYS 25 -13.783 14.445 8.519 224 HD2 LYS 25 1HD LYS 25 -16.017 14.691 9.270 225 HD3 LYS 25 2HD LYS 25 -16.152 14.461 7.549 226 HE2 LYS 25 1HE LYS 25 -17.923 13.139 8.472 227 HE3 LYS 25 2HE LYS 25 -16.720 11.951 7.981 228 HZ1 LYS 25 3HZ LYS 25 -16.848 12.948 10.844 229 HZ2 LYS 25 1HZ LYS 25 -17.565 11.540 10.296 230 HZ3 LYS 25 2HZ LYS 25 -15.979 11.652 10.250 231 H GLU 26 H GLU 26 -10.428 12.213 5.450 232 HA GLU 26 HA GLU 26 -11.526 10.288 3.468 233 HB2 GLU 26 1HB GLU 26 -8.726 11.528 3.714 234 HB3 GLU 26 2HB GLU 26 -9.285 10.614 2.342 235 HG2 GLU 26 1HG GLU 26 -10.559 12.356 1.444 236 HG3 GLU 26 2HG GLU 26 -11.128 12.921 3.004 237 H LEU 27 H LEU 27 -8.797 10.028 5.768 238 HA LEU 27 HA LEU 27 -8.446 7.101 5.634 239 HG LEU 27 HG LEU 27 -7.898 6.723 8.840 240 HB2 LEU 27 1HB LEU 27 -6.773 8.629 6.691 241 HB3 LEU 27 2HB LEU 27 -7.922 9.065 7.938 242 HD11 LEU 27 1HD1 LEU 27 -5.759 6.152 6.682 243 HD12 LEU 27 2HD1 LEU 27 -6.143 5.082 8.051 244 HD13 LEU 27 3HD1 LEU 27 -7.359 5.386 6.803 245 HD21 LEU 27 3HD2 LEU 27 -5.592 6.809 9.794 246 HD22 LEU 27 1HD2 LEU 27 -5.080 7.959 8.539 247 HD23 LEU 27 2HD2 LEU 27 -6.302 8.432 9.745 248 H GLU 28 H GLU 28 -10.757 9.094 7.496 249 HA GLU 28 HA GLU 28 -12.056 6.918 8.971 250 HB2 GLU 28 1HB GLU 28 -12.264 9.491 9.321 251 HB3 GLU 28 2HB GLU 28 -13.355 9.507 7.948 252 HG2 GLU 28 1HG GLU 28 -14.696 7.616 9.384 253 HG3 GLU 28 2HG GLU 28 -13.736 8.229 10.726 254 H ARG 29 H ARG 29 -13.100 8.376 5.816 255 HA ARG 29 HA ARG 29 -15.111 6.326 5.198 256 HE ARG 29 HE ARG 29 -16.876 11.462 3.309 257 HB2 ARG 29 1HB ARG 29 -13.513 8.211 3.360 258 HB3 ARG 29 2HB ARG 29 -14.730 7.105 2.748 259 HG2 ARG 29 1HG ARG 29 -16.478 8.151 4.277 260 HG3 ARG 29 2HG ARG 29 -15.291 9.330 4.810 261 HD2 ARG 29 1HD ARG 29 -14.998 10.194 2.477 262 HD3 ARG 29 2HD ARG 29 -16.064 8.978 1.815 263 HH11 ARG 29 2HH1 ARG 29 -18.008 8.319 2.341 264 HH12 ARG 29 1HH1 ARG 29 -19.760 8.843 2.384 265 HH21 ARG 29 2HH2 ARG 29 -18.871 12.037 3.324 266 HH22 ARG 29 1HH2 ARG 29 -20.200 10.857 2.922 267 H ALA 30 H ALA 30 -11.653 6.335 4.244 268 HA ALA 30 HA ALA 30 -11.647 3.690 2.949 269 HB1 ALA 30 3HB ALA 30 -9.392 5.134 4.494 270 HB2 ALA 30 1HB ALA 30 -9.184 3.765 3.379 271 HB3 ALA 30 2HB ALA 30 -9.754 5.332 2.762 272 H LEU 31 H LEU 31 -10.924 4.505 6.411 273 HA LEU 31 HA LEU 31 -10.739 1.791 7.427 274 HG LEU 31 HG LEU 31 -10.655 1.543 9.788 275 HB2 LEU 31 1HB LEU 31 -10.036 3.930 8.500 276 HB3 LEU 31 2HB LEU 31 -11.685 4.297 8.907 277 HD11 LEU 31 1HD1 LEU 31 -8.660 2.904 10.208 278 HD12 LEU 31 2HD1 LEU 31 -9.616 4.177 11.009 279 HD13 LEU 31 3HD1 LEU 31 -9.443 2.573 11.767 280 HD21 LEU 31 3HD2 LEU 31 -12.291 3.725 11.258 281 HD22 LEU 31 1HD2 LEU 31 -12.956 2.273 10.469 282 HD23 LEU 31 2HD2 LEU 31 -11.911 2.102 11.887 283 H GLN 32 H GLN 32 -13.745 3.790 7.109 284 HA GLN 32 HA GLN 32 -15.660 1.871 8.154 285 HB2 GLN 32 1HB GLN 32 -15.825 4.083 6.036 286 HB3 GLN 32 2HB GLN 32 -17.234 3.175 6.493 287 HG2 GLN 32 1HG GLN 32 -17.221 3.981 8.783 288 HG3 GLN 32 2HG GLN 32 -15.596 4.636 8.636 289 HE21 GLN 32 1HE2 GLN 32 -17.127 6.309 9.645 290 HE22 GLN 32 2HE2 GLN 32 -17.464 7.649 8.456 291 H GLU 33 H GLU 33 -14.676 2.224 4.701 292 HA GLU 33 HA GLU 33 -16.059 -0.293 3.891 293 HB2 GLU 33 1HB GLU 33 -15.631 1.639 2.335 294 HB3 GLU 33 2HB GLU 33 -13.915 1.302 2.382 295 HG2 GLU 33 1HG GLU 33 -14.944 0.359 0.310 296 HG3 GLU 33 2HG GLU 33 -14.307 -0.951 1.284 297 H LEU 34 H LEU 34 -12.624 0.387 4.755 298 HA LEU 34 HA LEU 34 -11.694 -2.344 4.246 299 HG LEU 34 HG LEU 34 -10.421 0.252 3.498 300 HB2 LEU 34 1HB LEU 34 -10.553 -0.150 6.050 301 HB3 LEU 34 2HB LEU 34 -9.731 -1.675 5.801 302 HD11 LEU 34 1HD1 LEU 34 -7.751 -0.132 5.012 303 HD12 LEU 34 2HD1 LEU 34 -7.986 0.866 3.557 304 HD13 LEU 34 3HD1 LEU 34 -8.799 1.306 5.069 305 HD21 LEU 34 3HD2 LEU 34 -8.582 -2.232 3.559 306 HD22 LEU 34 1HD2 LEU 34 -10.131 -2.104 2.692 307 HD23 LEU 34 2HD2 LEU 34 -8.769 -1.103 2.197 308 H GLU 35 H GLU 35 -12.998 -1.052 7.364 309 HA GLU 35 HA GLU 35 -12.676 -3.563 8.865 310 HB2 GLU 35 1HB GLU 35 -13.303 -1.295 9.828 311 HB3 GLU 35 2HB GLU 35 -14.874 -1.398 9.058 312 HG2 GLU 35 1HG GLU 35 -15.323 -3.553 10.454 313 HG3 GLU 35 2HG GLU 35 -13.793 -3.274 11.274 314 H LYS 36 H LYS 36 -15.473 -2.450 6.965 315 HA LYS 36 HA LYS 36 -17.067 -4.895 6.877 316 HB2 LYS 36 1HB LYS 36 -17.907 -2.666 6.254 317 HB3 LYS 36 2HB LYS 36 -16.662 -2.462 5.044 318 HG2 LYS 36 1HG LYS 36 -17.752 -4.339 3.664 319 HG3 LYS 36 2HG LYS 36 -19.114 -4.315 4.789 320 HD2 LYS 36 1HD LYS 36 -19.575 -1.912 4.247 321 HD3 LYS 36 2HD LYS 36 -18.029 -1.761 3.422 322 HE2 LYS 36 1HE LYS 36 -18.815 -3.486 1.678 323 HE3 LYS 36 2HE LYS 36 -20.448 -3.388 2.381 324 HZ1 LYS 36 3HZ LYS 36 -18.780 -1.049 1.339 325 HZ2 LYS 36 1HZ LYS 36 -20.067 -1.680 0.526 326 HZ3 LYS 36 2HZ LYS 36 -20.301 -0.869 1.955 327 H ALA 37 H ALA 37 -14.718 -3.849 4.314 328 HA ALA 37 HA ALA 37 -14.795 -6.372 2.850 329 HB1 ALA 37 3HB ALA 37 -12.778 -5.449 1.683 330 HB2 ALA 37 1HB ALA 37 -14.014 -4.190 1.900 331 HB3 ALA 37 2HB ALA 37 -12.583 -4.220 2.953 332 H LEU 38 H LEU 38 -12.478 -5.422 5.439 333 HA LEU 38 HA LEU 38 -10.916 -7.933 5.332 334 HG LEU 38 HG LEU 38 -8.929 -7.834 6.767 335 HB2 LEU 38 1HB LEU 38 -10.210 -5.667 6.233 336 HB3 LEU 38 2HB LEU 38 -11.188 -5.929 7.657 337 HD11 LEU 38 1HD1 LEU 38 -7.433 -6.618 8.333 338 HD12 LEU 38 2HD1 LEU 38 -7.992 -5.525 7.060 339 HD13 LEU 38 3HD1 LEU 38 -8.703 -5.425 8.692 340 HD21 LEU 38 3HD2 LEU 38 -8.813 -8.430 9.246 341 HD22 LEU 38 1HD2 LEU 38 -10.235 -7.406 9.548 342 HD23 LEU 38 2HD2 LEU 38 -10.371 -8.869 8.547 343 H ALA 39 H ALA 39 -13.632 -6.948 7.572 344 HA ALA 39 HA ALA 39 -13.743 -9.541 8.967 345 HB1 ALA 39 3HB ALA 39 -15.903 -7.358 8.623 346 HB2 ALA 39 1HB ALA 39 -15.924 -8.668 9.829 347 HB3 ALA 39 2HB ALA 39 -14.669 -7.416 9.901 348 H ARG 40 H ARG 40 -15.591 -8.397 6.110 349 HA ARG 40 HA ARG 40 -17.010 -10.967 5.679 350 HE ARG 40 HE ARG 40 -15.866 -8.393 1.323 351 HB2 ARG 40 1HB ARG 40 -17.813 -8.798 4.868 352 HB3 ARG 40 2HB ARG 40 -16.419 -8.562 3.849 353 HG2 ARG 40 1HG ARG 40 -18.256 -10.995 3.402 354 HG3 ARG 40 2HG ARG 40 -18.797 -9.411 2.903 355 HD2 ARG 40 1HD ARG 40 -16.175 -10.723 1.917 356 HD3 ARG 40 2HD ARG 40 -17.673 -10.802 1.047 357 HH11 ARG 40 2HH1 ARG 40 -19.041 -9.402 0.359 358 HH12 ARG 40 1HH1 ARG 40 -19.292 -7.921 -0.687 359 HH21 ARG 40 2HH2 ARG 40 -16.169 -6.711 0.135 360 HH22 ARG 40 1HH2 ARG 40 -17.716 -6.479 -0.790 361 H ALA 41 H ALA 41 -13.833 -9.876 4.497 362 HA ALA 41 HA ALA 41 -13.429 -12.303 2.777 363 HB1 ALA 41 3HB ALA 41 -12.344 -10.117 2.221 364 HB2 ALA 41 1HB ALA 41 -11.393 -10.183 3.725 365 HB3 ALA 41 2HB ALA 41 -11.131 -11.396 2.449 366 H GLY 42 H GLY 42 -12.157 -11.409 6.031 367 HA2 GLY 42 1HA GLY 42 -11.486 -13.050 7.761 368 HA3 GLY 42 2HA GLY 42 -11.533 -14.342 6.587 369 H ALA 43 H ALA 43 -9.659 -11.415 7.351 370 HA ALA 43 HA ALA 43 -7.121 -12.680 6.253 371 HB1 ALA 43 3HB ALA 43 -7.807 -10.363 5.583 372 HB2 ALA 43 1HB ALA 43 -7.644 -9.818 7.275 373 HB3 ALA 43 2HB ALA 43 -6.218 -10.392 6.377 374 H ARG 44 H ARG 44 -5.529 -13.439 7.424 375 HA ARG 44 HA ARG 44 -5.716 -13.317 10.455 376 HE ARG 44 HE ARG 44 -2.095 -18.196 7.911 377 HB2 ARG 44 1HB ARG 44 -4.392 -15.279 10.626 378 HB3 ARG 44 2HB ARG 44 -5.818 -15.520 9.639 379 HG2 ARG 44 1HG ARG 44 -4.338 -15.511 7.555 380 HG3 ARG 44 2HG ARG 44 -2.917 -15.266 8.571 381 HD2 ARG 44 1HD ARG 44 -3.338 -17.389 9.810 382 HD3 ARG 44 2HD ARG 44 -4.843 -17.677 8.977 383 HH11 ARG 44 2HH1 ARG 44 -5.366 -17.589 6.873 384 HH12 ARG 44 1HH1 ARG 44 -5.086 -18.422 5.247 385 HH21 ARG 44 2HH2 ARG 44 -1.864 -19.283 6.142 386 HH22 ARG 44 1HH2 ARG 44 -3.254 -19.402 4.930 387 H ASN 45 H ASN 45 -3.171 -12.607 8.052 388 HA ASN 45 HA ASN 45 -1.516 -11.414 10.357 389 HB2 ASN 45 1HB ASN 45 -0.520 -12.429 7.684 390 HB3 ASN 45 2HB ASN 45 0.461 -11.517 8.812 391 HD21 ASN 45 1HD2 ASN 45 0.750 -14.241 7.785 392 HD22 ASN 45 2HD2 ASN 45 0.935 -15.233 9.332 393 H VAL 46 H VAL 46 -2.164 -9.352 10.477 394 HA VAL 46 HA VAL 46 -2.647 -7.755 7.859 395 HB VAL 46 HB VAL 46 -4.127 -7.219 10.472 396 HG11 VAL 46 1HG1 VAL 46 -5.582 -5.789 9.175 397 HG12 VAL 46 2HG1 VAL 46 -3.929 -5.300 8.818 398 HG13 VAL 46 3HG1 VAL 46 -4.821 -6.274 7.631 399 HG21 VAL 46 3HG2 VAL 46 -6.177 -8.250 9.457 400 HG22 VAL 46 1HG2 VAL 46 -5.230 -8.789 8.043 401 HG23 VAL 46 2HG2 VAL 46 -4.918 -9.470 9.652 402 H GLN 47 H GLN 47 -0.940 -6.464 7.560 403 HA GLN 47 HA GLN 47 0.478 -5.141 9.938 404 HB2 GLN 47 1HB GLN 47 1.357 -5.118 7.011 405 HB3 GLN 47 2HB GLN 47 2.196 -4.392 8.354 406 HG2 GLN 47 1HG GLN 47 2.503 -6.736 9.371 407 HG3 GLN 47 2HG GLN 47 1.766 -7.428 7.935 408 HE21 GLN 47 1HE2 GLN 47 3.128 -7.557 5.975 409 HE22 GLN 47 2HE2 GLN 47 4.886 -7.066 6.129 410 H ILE 48 H ILE 48 -0.833 -3.484 10.536 411 HA ILE 48 HA ILE 48 -1.758 -1.391 8.494 412 HB ILE 48 HB ILE 48 -2.420 -1.946 11.431 413 HG12 ILE 48 1HG1 ILE 48 -4.459 -1.688 9.140 414 HG13 ILE 48 2HG1 ILE 48 -3.552 -3.170 9.312 415 HG21 ILE 48 1HG2 ILE 48 -4.033 0.005 11.381 416 HG22 ILE 48 2HG2 ILE 48 -2.342 0.504 11.293 417 HG23 ILE 48 3HG2 ILE 48 -3.331 0.536 9.833 418 HD11 ILE 48 3HD1 ILE 48 -5.719 -3.376 10.499 419 HD12 ILE 48 1HD1 ILE 48 -4.380 -3.500 11.663 420 HD13 ILE 48 2HD1 ILE 48 -5.328 -1.994 11.545 421 H THR 49 H THR 49 0.057 -0.205 7.923 422 HA THR 49 HA THR 49 1.811 0.896 10.141 423 HB THR 49 HB THR 49 2.309 0.802 7.130 424 HG1 THR 49 HG1 THR 49 3.781 -0.782 7.760 425 HG21 THR 49 3HG2 THR 49 4.720 1.298 7.738 426 HG22 THR 49 1HG2 THR 49 3.677 2.654 8.203 427 HG23 THR 49 2HG2 THR 49 4.255 1.518 9.444 428 H ILE 50 H ILE 50 1.359 2.760 10.947 429 HA ILE 50 HA ILE 50 0.194 5.021 9.217 430 HB ILE 50 HB ILE 50 -0.345 4.126 12.036 431 HG12 ILE 50 1HG1 ILE 50 -2.566 5.129 11.629 432 HG13 ILE 50 2HG1 ILE 50 -2.032 5.892 10.154 433 HG21 ILE 50 1HG2 ILE 50 -1.002 6.326 12.927 434 HG22 ILE 50 2HG2 ILE 50 0.736 6.259 12.669 435 HG23 ILE 50 3HG2 ILE 50 -0.286 7.163 11.525 436 HD11 ILE 50 3HD1 ILE 50 -1.834 3.654 9.020 437 HD12 ILE 50 1HD1 ILE 50 -2.173 2.819 10.549 438 HD13 ILE 50 2HD1 ILE 50 -3.436 3.809 9.771 439 H SER 51 H SER 51 1.771 6.143 8.349 440 HA SER 51 HA SER 51 4.172 7.073 10.027 441 HG SER 51 HG SER 51 5.091 7.689 6.341 442 HB2 SER 51 1HB SER 51 5.023 5.975 8.174 443 HB3 SER 51 2HB SER 51 3.705 6.392 7.103 444 H ALA 52 H ALA 52 3.441 8.787 11.122 445 HA ALA 52 HA ALA 52 1.799 10.981 9.725 446 HB1 ALA 52 3HB ALA 52 0.956 9.988 11.895 447 HB2 ALA 52 1HB ALA 52 2.409 10.628 12.727 448 HB3 ALA 52 2HB ALA 52 1.246 11.728 11.955 449 H GLU 53 H GLU 53 2.308 13.268 10.669 450 HA GLU 53 HA GLU 53 5.027 14.148 9.901 451 HB2 GLU 53 1HB GLU 53 2.836 15.590 11.512 452 HB3 GLU 53 2HB GLU 53 4.321 16.347 10.971 453 HG2 GLU 53 1HG GLU 53 3.717 16.051 8.575 454 HG3 GLU 53 2HG GLU 53 2.262 15.155 8.991 455 H ASN 54 H ASN 54 3.567 13.540 13.059 456 HA ASN 54 HA ASN 54 6.262 13.074 14.300 457 HB2 ASN 54 1HB ASN 54 4.322 15.225 15.451 458 HB3 ASN 54 2HB ASN 54 5.519 14.434 16.439 459 HD21 ASN 54 1HD2 ASN 54 5.178 16.780 13.879 460 HD22 ASN 54 2HD2 ASN 54 6.924 17.331 14.046 461 H ASP 55 H ASP 55 6.081 11.861 16.353 462 HA ASP 55 HA ASP 55 3.628 10.141 16.539 463 HB2 ASP 55 1HB ASP 55 6.016 9.288 16.785 464 HB3 ASP 55 2HB ASP 55 6.091 10.078 18.358 465 H GLU 56 H GLU 56 2.892 12.624 16.907 466 HA GLU 56 HA GLU 56 1.371 12.251 19.532 467 HB2 GLU 56 1HB GLU 56 1.644 14.934 18.087 468 HB3 GLU 56 2HB GLU 56 0.473 14.587 19.348 469 HG2 GLU 56 1HG GLU 56 3.531 14.561 19.707 470 HG3 GLU 56 2HG GLU 56 2.435 15.818 20.262 471 H GLN 57 H GLN 57 1.015 13.327 16.134 472 HA GLN 57 HA GLN 57 -1.746 12.460 15.663 473 HB2 GLN 57 1HB GLN 57 0.725 12.615 13.840 474 HB3 GLN 57 2HB GLN 57 -0.879 12.249 13.221 475 HG2 GLN 57 1HG GLN 57 -1.710 14.504 13.834 476 HG3 GLN 57 2HG GLN 57 -0.191 14.889 14.641 477 HE21 GLN 57 1HE2 GLN 57 -0.016 16.700 13.216 478 HE22 GLN 57 2HE2 GLN 57 0.520 16.467 11.461 479 H ALA 58 H ALA 58 1.290 10.568 15.022 480 HA ALA 58 HA ALA 58 -0.137 8.047 14.438 481 HB1 ALA 58 3HB ALA 58 2.179 8.509 13.597 482 HB2 ALA 58 1HB ALA 58 2.815 8.429 15.262 483 HB3 ALA 58 2HB ALA 58 2.089 7.006 14.502 484 H LYS 59 H LYS 59 1.246 9.246 17.472 485 HA LYS 59 HA LYS 59 0.582 7.031 19.257 486 HB2 LYS 59 1HB LYS 59 2.135 8.840 19.753 487 HB3 LYS 59 2HB LYS 59 0.897 10.059 19.516 488 HG2 LYS 59 1HG LYS 59 -0.278 9.244 21.634 489 HG3 LYS 59 2HG LYS 59 1.092 8.157 21.927 490 HD2 LYS 59 1HD LYS 59 2.688 10.133 21.862 491 HD3 LYS 59 2HD LYS 59 1.373 11.191 21.393 492 HE2 LYS 59 1HE LYS 59 0.214 10.728 23.649 493 HE3 LYS 59 2HE LYS 59 1.682 9.865 24.159 494 HZ1 LYS 59 3HZ LYS 59 1.864 12.359 24.699 495 HZ2 LYS 59 1HZ LYS 59 2.953 12.022 23.483 496 HZ3 LYS 59 2HZ LYS 59 1.617 12.735 23.095 497 H GLU 60 H GLU 60 -1.538 9.902 18.462 498 HA GLU 60 HA GLU 60 -3.900 8.699 19.837 499 HB2 GLU 60 1HB GLU 60 -3.796 10.981 17.780 500 HB3 GLU 60 2HB GLU 60 -5.253 10.424 18.586 501 HG2 GLU 60 1HG GLU 60 -4.089 10.937 20.872 502 HG3 GLU 60 2HG GLU 60 -2.825 11.747 19.946 503 H LEU 61 H LEU 61 -2.969 8.700 16.353 504 HA LEU 61 HA LEU 61 -5.187 6.976 15.477 505 HG LEU 61 HG LEU 61 -4.094 9.341 14.094 506 HB2 LEU 61 1HB LEU 61 -2.385 7.415 14.341 507 HB3 LEU 61 2HB LEU 61 -3.533 6.362 13.545 508 HD11 LEU 61 1HD1 LEU 61 -3.565 9.711 11.677 509 HD12 LEU 61 2HD1 LEU 61 -2.147 9.091 12.543 510 HD13 LEU 61 3HD1 LEU 61 -3.089 8.005 11.489 511 HD21 LEU 61 3HD2 LEU 61 -6.196 8.006 13.752 512 HD22 LEU 61 1HD2 LEU 61 -5.903 9.045 12.353 513 HD23 LEU 61 2HD2 LEU 61 -5.542 7.302 12.255 514 H LEU 62 H LEU 62 -2.022 5.966 16.815 515 HA LEU 62 HA LEU 62 -2.320 3.088 16.822 516 HG LEU 62 HG LEU 62 -1.326 2.294 19.344 517 HB2 LEU 62 1HB LEU 62 -0.311 4.123 17.458 518 HB3 LEU 62 2HB LEU 62 -1.001 5.184 18.619 519 HD11 LEU 62 1HD1 LEU 62 1.079 2.104 20.152 520 HD12 LEU 62 2HD1 LEU 62 1.019 2.249 18.387 521 HD13 LEU 62 3HD1 LEU 62 1.467 3.657 19.372 522 HD21 LEU 62 3HD2 LEU 62 -0.340 4.751 20.937 523 HD22 LEU 62 1HD2 LEU 62 -1.989 4.106 20.946 524 HD23 LEU 62 2HD2 LEU 62 -0.671 3.138 21.617 525 H GLU 63 H GLU 63 -3.518 5.240 19.375 526 HA GLU 63 HA GLU 63 -5.233 3.318 20.731 527 HB2 GLU 63 1HB GLU 63 -4.488 5.692 21.488 528 HB3 GLU 63 2HB GLU 63 -5.836 6.329 20.573 529 HG2 GLU 63 1HG GLU 63 -6.041 4.291 22.909 530 HG3 GLU 63 2HG GLU 63 -6.240 6.023 23.070 531 H LEU 64 H LEU 64 -6.246 5.564 18.121 532 HA LEU 64 HA LEU 64 -8.940 4.513 17.714 533 HG LEU 64 HG LEU 64 -10.161 5.682 15.924 534 HB2 LEU 64 1HB LEU 64 -7.891 6.630 16.778 535 HB3 LEU 64 2HB LEU 64 -7.116 5.668 15.546 536 HD11 LEU 64 1HD1 LEU 64 -10.291 7.481 14.187 537 HD12 LEU 64 2HD1 LEU 64 -9.389 8.051 15.602 538 HD13 LEU 64 3HD1 LEU 64 -8.516 7.584 14.123 539 HD21 LEU 64 3HD2 LEU 64 -8.403 4.999 13.460 540 HD22 LEU 64 1HD2 LEU 64 -9.419 3.863 14.378 541 HD23 LEU 64 2HD2 LEU 64 -10.176 5.135 13.423 542 H ILE 65 H ILE 65 -5.925 3.359 16.112 543 HA ILE 65 HA ILE 65 -7.175 1.037 14.793 544 HB ILE 65 HB ILE 65 -4.264 1.257 15.680 545 HG12 ILE 65 1HG1 ILE 65 -5.163 1.776 12.778 546 HG13 ILE 65 2HG1 ILE 65 -5.191 3.084 13.920 547 HG21 ILE 65 1HG2 ILE 65 -3.836 -0.464 13.829 548 HG22 ILE 65 2HG2 ILE 65 -4.896 -1.101 15.089 549 HG23 ILE 65 3HG2 ILE 65 -5.587 -0.576 13.544 550 HD11 ILE 65 3HD1 ILE 65 -3.022 3.091 12.722 551 HD12 ILE 65 1HD1 ILE 65 -2.745 2.812 14.449 552 HD13 ILE 65 2HD1 ILE 65 -2.635 1.461 13.303 553 H ALA 66 H ALA 66 -5.545 1.199 18.055 554 HA ALA 66 HA ALA 66 -6.157 -1.523 18.889 555 HB1 ALA 66 3HB ALA 66 -4.611 0.001 20.125 556 HB2 ALA 66 1HB ALA 66 -5.979 1.035 20.608 557 HB3 ALA 66 2HB ALA 66 -5.868 -0.632 21.210 558 H ARG 67 H ARG 67 -8.251 1.390 19.359 559 HA ARG 67 HA ARG 67 -10.635 -0.013 20.324 560 HE ARG 67 HE ARG 67 -12.627 3.785 22.652 561 HB2 ARG 67 1HB ARG 67 -10.208 2.622 18.800 562 HB3 ARG 67 2HB ARG 67 -11.832 2.031 19.075 563 HG2 ARG 67 1HG ARG 67 -11.465 1.948 21.548 564 HG3 ARG 67 2HG ARG 67 -9.824 2.559 21.360 565 HD2 ARG 67 1HD ARG 67 -10.509 4.715 20.592 566 HD3 ARG 67 2HD ARG 67 -12.122 4.195 20.138 567 HH11 ARG 67 2HH1 ARG 67 -10.015 6.056 22.028 568 HH12 ARG 67 1HH1 ARG 67 -10.709 7.213 23.249 569 HH21 ARG 67 2HH2 ARG 67 -13.201 5.062 24.152 570 HH22 ARG 67 1HH2 ARG 67 -12.322 6.632 24.442 571 H LEU 68 H LEU 68 -9.798 0.636 16.879 572 HA LEU 68 HA LEU 68 -11.971 -0.929 15.671 573 HG LEU 68 HG LEU 68 -9.948 -2.292 13.423 574 HB2 LEU 68 1HB LEU 68 -10.551 0.595 14.360 575 HB3 LEU 68 2HB LEU 68 -9.112 -0.308 14.763 576 HD11 LEU 68 1HD1 LEU 68 -12.159 -0.331 12.489 577 HD12 LEU 68 2HD1 LEU 68 -11.788 -1.901 11.750 578 HD13 LEU 68 3HD1 LEU 68 -12.414 -1.837 13.402 579 HD21 LEU 68 3HD2 LEU 68 -8.320 -0.637 12.475 580 HD22 LEU 68 1HD2 LEU 68 -9.394 -1.295 11.225 581 HD23 LEU 68 2HD2 LEU 68 -9.673 0.341 11.854 582 H LEU 69 H LEU 69 -8.676 -2.091 16.478 583 HA LEU 69 HA LEU 69 -9.281 -4.875 15.712 584 HG LEU 69 HG LEU 69 -6.871 -2.714 15.129 585 HB2 LEU 69 1HB LEU 69 -6.942 -3.795 17.376 586 HB3 LEU 69 2HB LEU 69 -7.013 -5.385 16.656 587 HD11 LEU 69 1HD1 LEU 69 -4.599 -3.572 14.469 588 HD12 LEU 69 2HD1 LEU 69 -4.764 -3.356 16.227 589 HD13 LEU 69 3HD1 LEU 69 -4.826 -4.982 15.533 590 HD21 LEU 69 3HD2 LEU 69 -6.596 -4.018 13.030 591 HD22 LEU 69 1HD2 LEU 69 -6.967 -5.523 13.893 592 HD23 LEU 69 2HD2 LEU 69 -8.203 -4.259 13.724 593 H GLN 70 H GLN 70 -9.204 -3.408 18.982 594 HA GLN 70 HA GLN 70 -9.981 -5.911 20.406 595 HB2 GLN 70 1HB GLN 70 -10.265 -2.938 21.158 596 HB3 GLN 70 2HB GLN 70 -10.724 -4.248 22.230 597 HG2 GLN 70 1HG GLN 70 -8.372 -5.110 22.330 598 HG3 GLN 70 2HG GLN 70 -7.855 -3.946 21.129 599 HE21 GLN 70 1HE2 GLN 70 -8.816 -4.257 24.491 600 HE22 GLN 70 2HE2 GLN 70 -8.140 -2.592 24.914 601 H LYS 71 H LYS 71 -11.954 -3.288 18.925 602 HA LYS 71 HA LYS 71 -14.593 -4.461 19.564 603 HB2 LYS 71 1HB LYS 71 -14.176 -2.087 18.846 604 HB3 LYS 71 2HB LYS 71 -13.662 -2.648 17.271 605 HG2 LYS 71 1HG LYS 71 -16.133 -3.664 17.052 606 HG3 LYS 71 2HG LYS 71 -16.487 -2.759 18.507 607 HD2 LYS 71 1HD LYS 71 -17.196 -1.364 16.704 608 HD3 LYS 71 2HD LYS 71 -15.720 -0.604 17.289 609 HE2 LYS 71 1HE LYS 71 -14.412 -1.759 15.368 610 HE3 LYS 71 2HE LYS 71 -15.897 -2.520 14.833 611 HZ1 LYS 71 3HZ LYS 71 -16.845 -0.286 14.374 612 HZ2 LYS 71 1HZ LYS 71 -15.438 0.472 14.850 613 HZ3 LYS 71 2HZ LYS 71 -15.474 -0.550 13.530 614 H LEU 72 H LEU 72 -12.546 -4.895 16.592 615 HA LEU 72 HA LEU 72 -14.259 -7.015 15.433 616 HG LEU 72 HG LEU 72 -13.041 -4.682 14.021 617 HB2 LEU 72 1HB LEU 72 -11.292 -6.325 15.028 618 HB3 LEU 72 2HB LEU 72 -12.068 -7.604 14.134 619 HD11 LEU 72 1HD1 LEU 72 -10.708 -4.898 13.120 620 HD12 LEU 72 2HD1 LEU 72 -11.229 -6.215 12.035 621 HD13 LEU 72 3HD1 LEU 72 -11.862 -4.567 11.818 622 HD21 LEU 72 3HD2 LEU 72 -14.832 -6.307 13.346 623 HD22 LEU 72 1HD2 LEU 72 -14.222 -5.484 11.907 624 HD23 LEU 72 2HD2 LEU 72 -13.705 -7.148 12.255 625 H GLY 73 H GLY 73 -11.389 -7.336 17.554 626 HA2 GLY 73 1HA GLY 73 -11.586 -9.039 19.399 627 HA3 GLY 73 2HA GLY 73 -12.410 -10.145 18.326 628 H TYR 74 H TYR 74 -9.280 -8.433 18.474 629 HA TYR 74 HA TYR 74 -7.880 -10.996 17.525 630 HD1 TYR 74 HD2 TYR 74 -7.999 -11.225 15.168 631 HD2 TYR 74 HD1 TYR 74 -8.053 -6.940 15.370 632 HE1 TYR 74 HE2 TYR 74 -9.116 -11.128 12.978 633 HE2 TYR 74 HE1 TYR 74 -9.149 -6.854 13.167 634 HH TYR 74 HH TYR 74 -10.024 -9.827 11.442 635 HB2 TYR 74 1HB TYR 74 -7.028 -8.073 17.148 636 HB3 TYR 74 2HB TYR 74 -6.147 -9.459 16.573 637 H LYS 75 H LYS 75 -6.516 -11.955 18.820 638 HA LYS 75 HA LYS 75 -5.690 -10.658 21.410 639 HB2 LYS 75 1HB LYS 75 -5.164 -12.819 22.258 640 HB3 LYS 75 2HB LYS 75 -6.768 -12.770 21.564 641 HG2 LYS 75 1HG LYS 75 -5.877 -14.028 19.491 642 HG3 LYS 75 2HG LYS 75 -4.286 -14.039 20.222 643 HD2 LYS 75 1HD LYS 75 -5.194 -16.193 20.636 644 HD3 LYS 75 2HD LYS 75 -5.160 -15.371 22.189 645 HE2 LYS 75 1HE LYS 75 -7.672 -14.868 21.968 646 HE3 LYS 75 2HE LYS 75 -7.690 -15.656 20.388 647 HZ1 LYS 75 3HZ LYS 75 -6.914 -17.030 22.972 648 HZ2 LYS 75 1HZ LYS 75 -8.345 -17.253 22.193 649 HZ3 LYS 75 2HZ LYS 75 -6.939 -17.765 21.510 650 H ASP 76 H ASP 76 -3.785 -11.934 18.631 651 HA ASP 76 HA ASP 76 -1.245 -11.024 20.086 652 HB2 ASP 76 1HB ASP 76 -1.170 -13.373 19.323 653 HB3 ASP 76 2HB ASP 76 -1.465 -12.876 17.665 654 H ILE 77 H ILE 77 -1.149 -8.949 19.754 655 HA ILE 77 HA ILE 77 -1.273 -7.798 16.907 656 HB ILE 77 HB ILE 77 -2.197 -6.303 19.416 657 HG12 ILE 77 1HG1 ILE 77 -4.006 -7.294 17.113 658 HG13 ILE 77 2HG1 ILE 77 -3.856 -8.131 18.640 659 HG21 ILE 77 1HG2 ILE 77 -2.899 -4.509 17.797 660 HG22 ILE 77 2HG2 ILE 77 -1.174 -4.835 17.610 661 HG23 ILE 77 3HG2 ILE 77 -2.325 -5.486 16.422 662 HD11 ILE 77 3HD1 ILE 77 -4.703 -6.120 19.910 663 HD12 ILE 77 1HD1 ILE 77 -4.981 -5.278 18.361 664 HD13 ILE 77 2HD1 ILE 77 -5.871 -6.765 18.744 665 H ASN 78 H ASN 78 0.811 -7.610 16.438 666 HA ASN 78 HA ASN 78 2.936 -6.874 18.468 667 HB2 ASN 78 1HB ASN 78 3.455 -8.606 16.925 668 HB3 ASN 78 2HB ASN 78 2.985 -7.684 15.525 669 HD21 ASN 78 1HD2 ASN 78 5.007 -8.028 14.541 670 HD22 ASN 78 2HD2 ASN 78 6.551 -7.312 15.255 671 H VAL 79 H VAL 79 2.187 -4.908 19.109 672 HA VAL 79 HA VAL 79 1.953 -2.519 17.368 673 HB VAL 79 HB VAL 79 2.172 -2.808 20.427 674 HG11 VAL 79 1HG1 VAL 79 1.199 -0.508 20.620 675 HG12 VAL 79 2HG1 VAL 79 2.784 -0.462 19.842 676 HG13 VAL 79 3HG1 VAL 79 1.317 -0.286 18.859 677 HG21 VAL 79 3HG2 VAL 79 -0.353 -2.378 18.682 678 HG22 VAL 79 1HG2 VAL 79 0.069 -3.869 19.549 679 HG23 VAL 79 2HG2 VAL 79 -0.313 -2.404 20.460 680 H ARG 80 H ARG 80 3.756 -1.799 16.318 681 HA ARG 80 HA ARG 80 6.324 -1.358 17.938 682 HE ARG 80 HE ARG 80 10.319 -4.706 16.664 683 HB2 ARG 80 1HB ARG 80 5.854 -3.130 15.599 684 HB3 ARG 80 2HB ARG 80 7.090 -1.956 15.220 685 HG2 ARG 80 1HG ARG 80 8.407 -2.567 17.242 686 HG3 ARG 80 2HG ARG 80 7.125 -3.632 17.814 687 HD2 ARG 80 1HD ARG 80 7.440 -5.185 15.872 688 HD3 ARG 80 2HD ARG 80 8.577 -4.077 15.127 689 HH11 ARG 80 2HH1 ARG 80 7.298 -6.149 17.804 690 HH12 ARG 80 1HH1 ARG 80 8.206 -7.060 19.094 691 HH21 ARG 80 2HH2 ARG 80 11.249 -5.809 18.131 692 HH22 ARG 80 1HH2 ARG 80 10.302 -6.888 19.250 693 H VAL 81 H VAL 81 6.603 0.662 18.215 694 HA VAL 81 HA VAL 81 6.006 2.763 16.113 695 HB VAL 81 HB VAL 81 7.055 3.022 18.992 696 HG11 VAL 81 1HG1 VAL 81 6.471 5.472 18.842 697 HG12 VAL 81 2HG1 VAL 81 7.763 5.039 17.719 698 HG13 VAL 81 3HG1 VAL 81 6.119 5.305 17.118 699 HG21 VAL 81 3HG2 VAL 81 4.193 3.612 17.970 700 HG22 VAL 81 1HG2 VAL 81 4.659 2.233 18.989 701 HG23 VAL 81 2HG2 VAL 81 4.797 3.884 19.614 702 H ASN 82 H ASN 82 7.554 2.812 14.501 703 HA ASN 82 HA ASN 82 10.528 2.947 15.308 704 HB2 ASN 82 1HB ASN 82 9.809 1.244 13.576 705 HB3 ASN 82 2HB ASN 82 9.252 2.531 12.528 706 HD21 ASN 82 1HD2 ASN 82 10.976 3.942 11.539 707 HD22 ASN 82 2HD2 ASN 82 12.676 3.252 11.541 708 H GLY 83 H GLY 83 10.017 5.085 16.269 709 HA2 GLY 83 1HA GLY 83 10.344 7.494 16.151 710 HA3 GLY 83 2HA GLY 83 10.731 7.352 14.448 711 H THR 84 H THR 84 9.095 7.700 12.959 712 HA THR 84 HA THR 84 6.393 8.758 13.952 713 HB THR 84 HB THR 84 5.983 9.758 11.835 714 HG1 THR 84 HG1 THR 84 8.235 8.281 10.905 715 HG21 THR 84 3HG2 THR 84 8.861 10.577 12.505 716 HG22 THR 84 1HG2 THR 84 7.630 11.538 11.646 717 HG23 THR 84 2HG2 THR 84 7.414 11.151 13.371 718 H GLU 85 H GLU 85 7.819 6.043 12.398 719 HA GLU 85 HA GLU 85 5.410 5.297 10.809 720 HB2 GLU 85 1HB GLU 85 8.076 3.783 10.976 721 HB3 GLU 85 2HB GLU 85 6.853 3.695 9.735 722 HG2 GLU 85 1HG GLU 85 8.531 4.968 8.677 723 HG3 GLU 85 2HG GLU 85 7.457 6.254 9.220 724 H VAL 86 H VAL 86 3.882 4.538 12.183 725 HA VAL 86 HA VAL 86 4.580 2.502 14.336 726 HB VAL 86 HB VAL 86 2.087 4.241 13.941 727 HG11 VAL 86 1HG1 VAL 86 2.834 2.379 16.305 728 HG12 VAL 86 2HG1 VAL 86 1.503 3.564 16.301 729 HG13 VAL 86 3HG1 VAL 86 1.455 2.185 15.194 730 HG21 VAL 86 3HG2 VAL 86 2.978 5.458 16.027 731 HG22 VAL 86 1HG2 VAL 86 4.463 4.496 15.908 732 HG23 VAL 86 2HG2 VAL 86 4.048 5.634 14.626 733 H LYS 87 H LYS 87 4.597 0.503 13.569 734 HA LYS 87 HA LYS 87 2.406 -0.449 11.679 735 HB2 LYS 87 1HB LYS 87 3.546 -2.342 11.091 736 HB3 LYS 87 2HB LYS 87 4.543 -0.951 10.802 737 HG2 LYS 87 1HG LYS 87 6.104 -1.483 12.563 738 HG3 LYS 87 2HG LYS 87 5.034 -2.619 13.349 739 HD2 LYS 87 1HD LYS 87 6.153 -3.091 10.501 740 HD3 LYS 87 2HD LYS 87 6.980 -3.624 11.958 741 HE2 LYS 87 1HE LYS 87 5.016 -5.054 12.643 742 HE3 LYS 87 2HE LYS 87 4.086 -4.495 11.262 743 HZ1 LYS 87 3HZ LYS 87 6.704 -5.937 10.855 744 HZ2 LYS 87 1HZ LYS 87 5.239 -6.728 10.949 745 HZ3 LYS 87 2HZ LYS 87 5.503 -5.674 9.732 746 H ILE 88 H ILE 88 0.655 -1.122 12.571 747 HA ILE 88 HA ILE 88 0.686 -2.680 15.218 748 HB ILE 88 HB ILE 88 -1.718 -1.544 13.709 749 HG12 ILE 88 1HG1 ILE 88 -0.460 0.416 14.364 750 HG13 ILE 88 2HG1 ILE 88 -1.913 0.280 15.320 751 HG21 ILE 88 1HG2 ILE 88 -2.347 -3.395 15.214 752 HG22 ILE 88 2HG2 ILE 88 -1.476 -2.660 16.576 753 HG23 ILE 88 3HG2 ILE 88 -2.922 -1.876 15.923 754 HD11 ILE 88 3HD1 ILE 88 -0.557 -0.528 17.308 755 HD12 ILE 88 1HD1 ILE 88 0.935 -0.390 16.330 756 HD13 ILE 88 2HD1 ILE 88 -0.028 1.055 16.718 757 H GLU 89 H GLU 89 1.304 -4.689 14.633 758 HA GLU 89 HA GLU 89 0.203 -6.009 12.129 759 HB2 GLU 89 1HB GLU 89 2.540 -5.781 12.253 760 HB3 GLU 89 2HB GLU 89 2.655 -6.470 13.850 761 HG2 GLU 89 1HG GLU 89 1.828 -8.734 12.828 762 HG3 GLU 89 2HG GLU 89 1.935 -7.994 11.242 763 H VAL 90 H VAL 90 -1.665 -6.975 12.476 764 HA VAL 90 HA VAL 90 -2.400 -8.580 14.924 765 HB VAL 90 HB VAL 90 -3.734 -8.373 12.171 766 HG11 VAL 90 1HG1 VAL 90 -4.884 -9.732 14.679 767 HG12 VAL 90 2HG1 VAL 90 -5.812 -9.353 13.202 768 HG13 VAL 90 3HG1 VAL 90 -4.478 -10.508 13.133 769 HG21 VAL 90 3HG2 VAL 90 -5.454 -6.967 13.252 770 HG22 VAL 90 1HG2 VAL 90 -4.685 -7.152 14.848 771 HG23 VAL 90 2HG2 VAL 90 -3.876 -6.223 13.560 772 H ARG 91 H ARG 91 -2.038 -10.720 15.227 773 HA ARG 91 HA ARG 91 -1.301 -12.537 12.833 774 HE ARG 91 HE ARG 91 3.649 -10.355 13.972 775 HB2 ARG 91 1HB ARG 91 -0.119 -12.376 15.675 776 HB3 ARG 91 2HB ARG 91 0.174 -13.738 14.625 777 HG2 ARG 91 1HG ARG 91 1.414 -12.402 12.998 778 HG3 ARG 91 2HG ARG 91 0.921 -10.882 13.740 779 HD2 ARG 91 1HD ARG 91 2.174 -11.328 15.812 780 HD3 ARG 91 2HD ARG 91 2.580 -12.951 15.335 781 HH11 ARG 91 2HH1 ARG 91 3.992 -13.805 14.293 782 HH12 ARG 91 1HH1 ARG 91 5.508 -13.782 13.259 783 HH21 ARG 91 2HH2 ARG 91 5.185 -10.357 12.880 784 HH22 ARG 91 1HH2 ARG 91 6.178 -11.864 12.458 785 H VAL 92 H VAL 92 -3.451 -13.330 12.670 786 HA VAL 92 HA VAL 92 -4.691 -14.711 15.060 787 HB VAL 92 HB VAL 92 -5.842 -14.850 12.236 788 HG11 VAL 92 1HG1 VAL 92 -6.847 -16.452 13.887 789 HG12 VAL 92 2HG1 VAL 92 -7.208 -15.103 14.993 790 HG13 VAL 92 3HG1 VAL 92 -8.010 -15.210 13.408 791 HG21 VAL 92 3HG2 VAL 92 -6.415 -12.642 14.306 792 HG22 VAL 92 1HG2 VAL 92 -5.682 -12.420 12.708 793 HG23 VAL 92 2HG2 VAL 92 -7.362 -12.934 12.818 Start of MODEL 15 1 H HIS -1 H HIS -1 7.445 16.413 2.909 2 HA HIS -1 HA HIS -1 7.917 15.509 5.118 3 HD2 HIS -1 HD2 HIS -1 9.523 16.504 6.644 4 HE1 HIS -1 HE1 HIS -1 8.736 20.008 8.762 5 HE2 HIS -1 HE2 HIS -1 10.628 18.343 8.228 6 HB2 HIS -1 1HB HIS -1 5.795 17.602 5.879 7 HB3 HIS -1 2HB HIS -1 6.176 16.257 6.938 8 H MET 0 H MET 0 6.818 13.711 5.783 9 HA MET 0 HA MET 0 4.629 12.681 4.023 10 HB2 MET 0 1HB MET 0 6.692 11.389 4.841 11 HB3 MET 0 2HB MET 0 6.007 11.388 6.458 12 HG2 MET 0 1HG MET 0 4.019 10.037 5.556 13 HG3 MET 0 2HG MET 0 4.776 10.050 3.949 14 HE1 MET 0 3HE MET 0 5.534 6.380 5.259 15 HE2 MET 0 1HE MET 0 4.050 7.365 5.259 16 HE3 MET 0 2HE MET 0 5.081 7.309 3.801 17 H LYS 1 H LYS 1 2.569 13.289 4.413 18 HA LYS 1 HA LYS 1 1.675 14.254 7.110 19 HB2 LYS 1 1HB LYS 1 0.105 14.147 4.479 20 HB3 LYS 1 2HB LYS 1 -0.396 14.954 5.947 21 HG2 LYS 1 1HG LYS 1 2.010 15.808 4.207 22 HG3 LYS 1 2HG LYS 1 0.403 16.484 4.183 23 HD2 LYS 1 1HD LYS 1 1.326 18.059 5.549 24 HD3 LYS 1 2HD LYS 1 0.776 16.959 6.804 25 HE2 LYS 1 1HE LYS 1 3.129 15.917 6.882 26 HE3 LYS 1 2HE LYS 1 3.642 17.029 5.608 27 HZ1 LYS 1 3HZ LYS 1 4.156 17.971 7.875 28 HZ2 LYS 1 1HZ LYS 1 2.963 18.915 7.221 29 HZ3 LYS 1 2HZ LYS 1 2.606 17.791 8.376 30 H VAL 2 H VAL 2 -1.028 12.732 5.689 31 HA VAL 2 HA VAL 2 -0.767 10.367 7.651 32 HB VAL 2 HB VAL 2 -3.361 11.712 6.757 33 HG11 VAL 2 1HG1 VAL 2 -2.863 9.388 8.753 34 HG12 VAL 2 2HG1 VAL 2 -4.423 10.204 8.504 35 HG13 VAL 2 3HG1 VAL 2 -3.703 9.262 7.191 36 HG21 VAL 2 3HG2 VAL 2 -1.981 11.756 9.538 37 HG22 VAL 2 1HG2 VAL 2 -2.188 13.153 8.460 38 HG23 VAL 2 2HG2 VAL 2 -3.611 12.388 9.184 39 H ASP 3 H ASP 3 0.428 9.277 6.143 40 HA ASP 3 HA ASP 3 -0.962 8.023 3.743 41 HB2 ASP 3 1HB ASP 3 1.477 8.686 3.599 42 HB3 ASP 3 2HB ASP 3 1.837 7.611 4.940 43 H ILE 4 H ILE 4 -2.395 6.455 4.296 44 HA ILE 4 HA ILE 4 -1.600 4.537 6.508 45 HB ILE 4 HB ILE 4 -3.803 5.480 6.950 46 HG12 ILE 4 1HG1 ILE 4 -3.619 2.436 6.554 47 HG13 ILE 4 2HG1 ILE 4 -2.992 3.344 7.912 48 HG21 ILE 4 1HG2 ILE 4 -4.693 5.582 4.591 49 HG22 ILE 4 2HG2 ILE 4 -4.824 3.809 4.583 50 HG23 ILE 4 3HG2 ILE 4 -5.809 4.766 5.713 51 HD11 ILE 4 3HD1 ILE 4 -5.974 2.929 7.249 52 HD12 ILE 4 1HD1 ILE 4 -5.073 2.330 8.656 53 HD13 ILE 4 2HD1 ILE 4 -5.415 4.067 8.498 54 H THR 5 H THR 5 -0.416 3.032 5.707 55 HA THR 5 HA THR 5 -0.894 1.922 2.876 56 HB THR 5 HB THR 5 1.794 2.338 4.276 57 HG1 THR 5 HG1 THR 5 1.224 4.132 3.024 58 HG21 THR 5 3HG2 THR 5 2.807 1.294 2.205 59 HG22 THR 5 1HG2 THR 5 1.914 0.079 3.158 60 HG23 THR 5 2HG2 THR 5 1.197 0.766 1.671 61 H ILE 6 H ILE 6 -1.745 0.013 2.901 62 HA ILE 6 HA ILE 6 -1.553 -1.734 5.423 63 HB ILE 6 HB ILE 6 -3.947 -1.727 3.510 64 HG12 ILE 6 1HG1 ILE 6 -5.098 -0.696 5.771 65 HG13 ILE 6 2HG1 ILE 6 -3.502 -0.012 6.010 66 HG21 ILE 6 1HG2 ILE 6 -3.609 -3.843 4.832 67 HG22 ILE 6 2HG2 ILE 6 -3.608 -2.920 6.345 68 HG23 ILE 6 3HG2 ILE 6 -5.077 -3.003 5.336 69 HD11 ILE 6 3HD1 ILE 6 -5.064 1.544 4.826 70 HD12 ILE 6 1HD1 ILE 6 -3.721 1.157 3.733 71 HD13 ILE 6 2HD1 ILE 6 -5.305 0.372 3.519 72 H LYS 7 H LYS 7 -0.625 -3.636 5.121 73 HA LYS 7 HA LYS 7 -0.848 -5.064 2.396 74 HB2 LYS 7 1HB LYS 7 1.457 -5.265 4.415 75 HB3 LYS 7 2HB LYS 7 1.025 -6.613 3.405 76 HG2 LYS 7 1HG LYS 7 2.609 -5.691 2.046 77 HG3 LYS 7 2HG LYS 7 1.209 -5.007 1.348 78 HD2 LYS 7 1HD LYS 7 1.712 -2.926 3.008 79 HD3 LYS 7 2HD LYS 7 3.306 -3.639 3.118 80 HE2 LYS 7 1HE LYS 7 1.879 -2.544 0.589 81 HE3 LYS 7 2HE LYS 7 3.252 -1.824 1.416 82 HZ1 LYS 7 3HZ LYS 7 3.185 -4.328 -0.256 83 HZ2 LYS 7 1HZ LYS 7 4.115 -3.040 -0.513 84 HZ3 LYS 7 2HZ LYS 7 4.477 -4.082 0.754 85 H ILE 8 H ILE 8 -2.680 -6.168 2.572 86 HA ILE 8 HA ILE 8 -3.469 -7.581 5.135 87 HB ILE 8 HB ILE 8 -4.922 -7.596 2.446 88 HG12 ILE 8 1HG1 ILE 8 -5.621 -5.963 4.969 89 HG13 ILE 8 2HG1 ILE 8 -4.831 -5.308 3.543 90 HG21 ILE 8 1HG2 ILE 8 -5.464 -9.608 3.869 91 HG22 ILE 8 2HG2 ILE 8 -5.842 -8.546 5.241 92 HG23 ILE 8 3HG2 ILE 8 -6.860 -8.531 3.781 93 HD11 ILE 8 3HD1 ILE 8 -6.808 -5.857 2.095 94 HD12 ILE 8 1HD1 ILE 8 -7.698 -6.414 3.543 95 HD13 ILE 8 2HD1 ILE 8 -7.184 -4.721 3.409 96 H GLN 9 H GLN 9 -1.993 -9.119 5.479 97 HA GLN 9 HA GLN 9 -0.789 -10.772 3.271 98 HB2 GLN 9 1HB GLN 9 0.578 -9.578 4.901 99 HB3 GLN 9 2HB GLN 9 -0.157 -10.415 6.248 100 HG2 GLN 9 1HG GLN 9 0.826 -12.612 5.403 101 HG3 GLN 9 2HG GLN 9 1.533 -11.782 4.031 102 HE21 GLN 9 1HE2 GLN 9 3.128 -10.007 4.592 103 HE22 GLN 9 2HE2 GLN 9 4.187 -10.378 6.065 104 H ARG 10 H ARG 10 -2.429 -12.021 2.613 105 HA ARG 10 HA ARG 10 -3.669 -14.138 4.428 106 HE ARG 10 HE ARG 10 -7.262 -10.443 1.560 107 HB2 ARG 10 1HB ARG 10 -4.086 -13.600 1.415 108 HB3 ARG 10 2HB ARG 10 -4.974 -14.763 2.381 109 HG2 ARG 10 1HG ARG 10 -6.006 -12.893 3.745 110 HG3 ARG 10 2HG ARG 10 -5.036 -11.714 2.877 111 HD2 ARG 10 1HD ARG 10 -6.124 -12.369 0.695 112 HD3 ARG 10 2HD ARG 10 -7.200 -13.471 1.525 113 HH11 ARG 10 2HH1 ARG 10 -8.506 -13.273 3.148 114 HH12 ARG 10 1HH1 ARG 10 -9.849 -12.341 3.958 115 HH21 ARG 10 2HH2 ARG 10 -8.813 -9.400 2.458 116 HH22 ARG 10 1HH2 ARG 10 -9.999 -10.236 3.555 117 H ASP 11 H ASP 11 -3.064 -16.322 4.215 118 HA ASP 11 HA ASP 11 -0.445 -16.942 3.479 119 HB2 ASP 11 1HB ASP 11 -2.774 -18.905 3.895 120 HB3 ASP 11 2HB ASP 11 -1.079 -19.337 3.904 121 H GLY 12 H GLY 12 0.030 -16.382 1.438 122 HA2 GLY 12 1HA GLY 12 0.369 -17.640 -0.970 123 HA3 GLY 12 2HA GLY 12 -1.375 -17.673 -0.964 124 H GLN 13 H GLN 13 -1.484 -14.856 0.289 125 HA GLN 13 HA GLN 13 -0.669 -13.207 -2.146 126 HB2 GLN 13 1HB GLN 13 -3.615 -13.540 -1.266 127 HB3 GLN 13 2HB GLN 13 -3.050 -12.275 -2.338 128 HG2 GLN 13 1HG GLN 13 -2.282 -14.035 -4.021 129 HG3 GLN 13 2HG GLN 13 -2.909 -15.292 -2.970 130 HE21 GLN 13 1HE2 GLN 13 -3.746 -13.312 -5.529 131 HE22 GLN 13 2HE2 GLN 13 -5.561 -13.610 -5.404 132 H GLU 14 H GLU 14 0.242 -11.370 -1.322 133 HA GLU 14 HA GLU 14 -0.948 -10.018 1.133 134 HB2 GLU 14 1HB GLU 14 1.439 -9.069 -0.531 135 HB3 GLU 14 2HB GLU 14 0.718 -8.231 0.823 136 HG2 GLU 14 1HG GLU 14 1.167 -10.581 2.135 137 HG3 GLU 14 2HG GLU 14 2.354 -10.812 0.872 138 H ILE 15 H ILE 15 -2.877 -9.235 0.673 139 HA ILE 15 HA ILE 15 -3.512 -7.889 -1.998 140 HB ILE 15 HB ILE 15 -5.339 -8.490 0.376 141 HG12 ILE 15 1HG1 ILE 15 -4.714 -10.610 -0.635 142 HG13 ILE 15 2HG1 ILE 15 -6.394 -10.255 -0.953 143 HG21 ILE 15 1HG2 ILE 15 -7.266 -7.973 -1.152 144 HG22 ILE 15 2HG2 ILE 15 -6.254 -6.548 -0.860 145 HG23 ILE 15 3HG2 ILE 15 -6.132 -7.417 -2.405 146 HD11 ILE 15 3HD1 ILE 15 -5.333 -11.258 -2.965 147 HD12 ILE 15 1HD1 ILE 15 -5.803 -9.592 -3.355 148 HD13 ILE 15 2HD1 ILE 15 -4.096 -9.983 -3.018 149 H GLU 16 H GLU 16 -2.339 -6.069 -1.945 150 HA GLU 16 HA GLU 16 -2.357 -4.317 0.503 151 HB2 GLU 16 1HB GLU 16 -0.124 -3.768 -0.027 152 HB3 GLU 16 2HB GLU 16 -0.344 -5.514 -0.010 153 HG2 GLU 16 1HG GLU 16 -0.024 -5.716 -2.418 154 HG3 GLU 16 2HG GLU 16 -0.184 -3.972 -2.679 155 H ILE 17 H ILE 17 -2.196 -2.182 0.548 156 HA ILE 17 HA ILE 17 -2.636 -0.521 -1.922 157 HB ILE 17 HB ILE 17 -4.575 0.775 -1.135 158 HG12 ILE 17 1HG1 ILE 17 -5.459 -1.458 0.773 159 HG13 ILE 17 2HG1 ILE 17 -4.473 -0.145 1.368 160 HG21 ILE 17 1HG2 ILE 17 -4.849 -0.986 -2.888 161 HG22 ILE 17 2HG2 ILE 17 -5.332 -2.159 -1.646 162 HG23 ILE 17 3HG2 ILE 17 -6.340 -0.727 -1.958 163 HD11 ILE 17 3HD1 ILE 17 -6.151 1.572 0.648 164 HD12 ILE 17 1HD1 ILE 17 -7.204 0.299 -0.017 165 HD13 ILE 17 2HD1 ILE 17 -6.889 0.377 1.728 166 H ASP 18 H ASP 18 -1.544 1.353 -1.840 167 HA ASP 18 HA ASP 18 -1.043 2.713 0.836 168 HB2 ASP 18 1HB ASP 18 0.646 4.015 -0.235 169 HB3 ASP 18 2HB ASP 18 0.954 2.316 -0.487 170 H ILE 19 H ILE 19 -2.581 4.109 1.440 171 HA ILE 19 HA ILE 19 -3.652 6.053 -0.658 172 HB ILE 19 HB ILE 19 -5.851 6.223 0.198 173 HG12 ILE 19 1HG1 ILE 19 -6.444 3.772 1.598 174 HG13 ILE 19 2HG1 ILE 19 -5.012 4.369 2.380 175 HG21 ILE 19 1HG2 ILE 19 -5.431 4.770 -1.756 176 HG22 ILE 19 2HG2 ILE 19 -5.271 3.355 -0.702 177 HG23 ILE 19 3HG2 ILE 19 -6.833 4.204 -0.820 178 HD11 ILE 19 3HD1 ILE 19 -7.099 5.255 3.471 179 HD12 ILE 19 1HD1 ILE 19 -6.165 6.612 2.800 180 HD13 ILE 19 2HD1 ILE 19 -7.618 6.017 1.951 181 H ARG 20 H ARG 20 -3.221 8.022 -0.232 182 HA ARG 20 HA ARG 20 -2.468 8.835 2.604 183 HE ARG 20 HE ARG 20 1.888 11.061 -0.220 184 HB2 ARG 20 1HB ARG 20 -0.401 9.836 1.876 185 HB3 ARG 20 2HB ARG 20 -0.493 8.142 1.488 186 HG2 ARG 20 1HG ARG 20 -1.074 8.776 -0.943 187 HG3 ARG 20 2HG ARG 20 -0.723 10.449 -0.554 188 HD2 ARG 20 1HD ARG 20 1.226 8.035 -0.248 189 HD3 ARG 20 2HD ARG 20 1.165 9.075 -1.643 190 HH11 ARG 20 2HH1 ARG 20 2.601 7.927 1.307 191 HH12 ARG 20 1HH1 ARG 20 4.288 8.510 1.677 192 HH21 ARG 20 2HH2 ARG 20 3.761 11.626 0.379 193 HH22 ARG 20 1HH2 ARG 20 4.861 10.482 1.277 194 H VAL 21 H VAL 21 -3.349 10.497 3.382 195 HA VAL 21 HA VAL 21 -4.617 12.630 1.587 196 HB VAL 21 HB VAL 21 -6.795 12.413 2.710 197 HG11 VAL 21 1HG1 VAL 21 -7.673 10.404 1.601 198 HG12 VAL 21 2HG1 VAL 21 -6.488 11.215 0.555 199 HG13 VAL 21 3HG1 VAL 21 -6.036 9.736 1.426 200 HG21 VAL 21 3HG2 VAL 21 -5.831 9.818 4.071 201 HG22 VAL 21 1HG2 VAL 21 -6.133 11.355 4.915 202 HG23 VAL 21 2HG2 VAL 21 -7.474 10.499 4.124 203 H SER 22 H SER 22 -5.707 14.374 2.937 204 HA SER 22 HA SER 22 -4.607 14.840 5.704 205 HG SER 22 HG SER 22 -2.685 14.637 4.320 206 HB2 SER 22 1HB SER 22 -3.810 16.780 3.439 207 HB3 SER 22 2HB SER 22 -3.634 17.112 5.166 208 H THR 23 H THR 23 -6.702 14.743 6.344 209 HA THR 23 HA THR 23 -8.717 16.873 5.740 210 HB THR 23 HB THR 23 -8.799 15.823 3.587 211 HG1 THR 23 HG1 THR 23 -11.060 14.974 3.670 212 HG21 THR 23 3HG2 THR 23 -8.029 13.420 4.291 213 HG22 THR 23 1HG2 THR 23 -9.742 13.124 4.692 214 HG23 THR 23 2HG2 THR 23 -9.275 13.591 3.034 215 H GLY 24 H GLY 24 -8.579 13.454 6.809 216 HA2 GLY 24 1HA GLY 24 -9.450 12.694 9.077 217 HA3 GLY 24 2HA GLY 24 -10.474 14.107 9.168 218 H LYS 25 H LYS 25 -12.040 14.217 7.135 219 HA LYS 25 HA LYS 25 -13.815 11.921 7.496 220 HB2 LYS 25 1HB LYS 25 -14.074 14.316 5.596 221 HB3 LYS 25 2HB LYS 25 -15.321 13.092 5.786 222 HG2 LYS 25 1HG LYS 25 -15.568 13.547 8.215 223 HG3 LYS 25 2HG LYS 25 -14.270 14.726 8.175 224 HD2 LYS 25 1HD LYS 25 -15.569 16.154 6.545 225 HD3 LYS 25 2HD LYS 25 -16.882 14.967 6.534 226 HE2 LYS 25 1HE LYS 25 -17.208 15.309 9.052 227 HE3 LYS 25 2HE LYS 25 -15.891 16.482 9.066 228 HZ1 LYS 25 3HZ LYS 25 -18.453 16.785 7.483 229 HZ2 LYS 25 1HZ LYS 25 -18.041 17.669 8.806 230 HZ3 LYS 25 2HZ LYS 25 -17.207 17.848 7.399 231 H GLU 26 H GLU 26 -12.059 12.643 4.328 232 HA GLU 26 HA GLU 26 -12.905 10.181 3.094 233 HB2 GLU 26 1HB GLU 26 -10.231 11.651 2.739 234 HB3 GLU 26 2HB GLU 26 -10.786 10.367 1.715 235 HG2 GLU 26 1HG GLU 26 -11.158 12.551 0.624 236 HG3 GLU 26 2HG GLU 26 -12.644 11.665 0.805 237 H LEU 27 H LEU 27 -10.308 10.567 5.446 238 HA LEU 27 HA LEU 27 -9.383 7.740 5.459 239 HG LEU 27 HG LEU 27 -8.550 7.278 8.177 240 HB2 LEU 27 1HB LEU 27 -8.097 9.777 6.435 241 HB3 LEU 27 2HB LEU 27 -9.258 9.790 7.735 242 HD11 LEU 27 1HD1 LEU 27 -7.308 6.887 6.018 243 HD12 LEU 27 2HD1 LEU 27 -6.151 8.176 6.423 244 HD13 LEU 27 3HD1 LEU 27 -6.227 6.695 7.407 245 HD21 LEU 27 3HD2 LEU 27 -6.578 9.594 8.680 246 HD22 LEU 27 1HD2 LEU 27 -7.950 9.127 9.706 247 HD23 LEU 27 2HD2 LEU 27 -6.572 8.028 9.530 248 H GLU 28 H GLU 28 -11.905 9.491 7.431 249 HA GLU 28 HA GLU 28 -12.905 7.201 8.897 250 HB2 GLU 28 1HB GLU 28 -14.512 9.591 7.818 251 HB3 GLU 28 2HB GLU 28 -15.141 8.410 8.940 252 HG2 GLU 28 1HG GLU 28 -13.515 9.063 10.706 253 HG3 GLU 28 2HG GLU 28 -12.715 10.193 9.618 254 H ARG 29 H ARG 29 -13.916 8.181 5.616 255 HA ARG 29 HA ARG 29 -15.689 5.817 5.151 256 HE ARG 29 HE ARG 29 -15.315 10.172 4.619 257 HB2 ARG 29 1HB ARG 29 -14.447 7.903 3.268 258 HB3 ARG 29 2HB ARG 29 -15.091 6.431 2.609 259 HG2 ARG 29 1HG ARG 29 -16.844 7.949 2.370 260 HG3 ARG 29 2HG ARG 29 -17.338 6.815 3.598 261 HD2 ARG 29 1HD ARG 29 -18.107 9.045 4.285 262 HD3 ARG 29 2HD ARG 29 -16.867 8.520 5.396 263 HH11 ARG 29 2HH1 ARG 29 -18.024 10.200 2.394 264 HH12 ARG 29 1HH1 ARG 29 -17.352 11.696 1.567 265 HH21 ARG 29 2HH2 ARG 29 -14.637 11.700 3.661 266 HH22 ARG 29 1HH2 ARG 29 -15.388 12.520 2.253 267 H ALA 30 H ALA 30 -12.227 6.356 4.201 268 HA ALA 30 HA ALA 30 -11.817 3.636 3.170 269 HB1 ALA 30 3HB ALA 30 -10.288 5.563 2.694 270 HB2 ALA 30 1HB ALA 30 -9.761 5.587 4.395 271 HB3 ALA 30 2HB ALA 30 -9.399 4.180 3.365 272 H LEU 31 H LEU 31 -11.214 4.858 6.498 273 HA LEU 31 HA LEU 31 -10.456 2.356 7.802 274 HG LEU 31 HG LEU 31 -10.892 2.397 10.292 275 HB2 LEU 31 1HB LEU 31 -10.192 4.625 8.682 276 HB3 LEU 31 2HB LEU 31 -11.906 4.854 8.827 277 HD11 LEU 31 1HD1 LEU 31 -9.838 3.703 12.152 278 HD12 LEU 31 2HD1 LEU 31 -8.925 3.870 10.637 279 HD13 LEU 31 3HD1 LEU 31 -9.971 5.202 11.193 280 HD21 LEU 31 3HD2 LEU 31 -12.646 4.805 11.140 281 HD22 LEU 31 1HD2 LEU 31 -13.229 3.204 10.623 282 HD23 LEU 31 2HD2 LEU 31 -12.328 3.372 12.141 283 H GLN 32 H GLN 32 -13.808 3.720 7.473 284 HA GLN 32 HA GLN 32 -15.154 1.363 8.577 285 HB2 GLN 32 1HB GLN 32 -16.014 3.737 8.451 286 HB3 GLN 32 2HB GLN 32 -16.196 3.588 6.710 287 HG2 GLN 32 1HG GLN 32 -17.896 1.763 7.033 288 HG3 GLN 32 2HG GLN 32 -17.660 1.783 8.772 289 HE21 GLN 32 1HE2 GLN 32 -18.514 3.605 9.943 290 HE22 GLN 32 2HE2 GLN 32 -19.770 4.693 9.138 291 H GLU 33 H GLU 33 -14.443 2.141 5.114 292 HA GLU 33 HA GLU 33 -15.562 -0.406 4.104 293 HB2 GLU 33 1HB GLU 33 -15.156 1.580 2.651 294 HB3 GLU 33 2HB GLU 33 -13.421 1.378 2.825 295 HG2 GLU 33 1HG GLU 33 -14.244 0.444 0.647 296 HG3 GLU 33 2HG GLU 33 -13.513 -0.826 1.613 297 H LEU 34 H LEU 34 -12.155 0.402 5.041 298 HA LEU 34 HA LEU 34 -11.065 -2.291 4.692 299 HG LEU 34 HG LEU 34 -9.760 0.182 4.026 300 HB2 LEU 34 1HB LEU 34 -10.298 -0.012 6.595 301 HB3 LEU 34 2HB LEU 34 -9.398 -1.505 6.573 302 HD11 LEU 34 1HD1 LEU 34 -7.501 1.119 4.480 303 HD12 LEU 34 2HD1 LEU 34 -8.618 1.551 5.783 304 HD13 LEU 34 3HD1 LEU 34 -7.416 0.260 6.041 305 HD21 LEU 34 3HD2 LEU 34 -9.066 -2.200 3.592 306 HD22 LEU 34 1HD2 LEU 34 -7.726 -1.101 3.248 307 HD23 LEU 34 2HD2 LEU 34 -7.725 -2.046 4.753 308 H GLU 35 H GLU 35 -12.562 -0.953 7.709 309 HA GLU 35 HA GLU 35 -12.436 -3.457 9.176 310 HB2 GLU 35 1HB GLU 35 -13.517 -2.414 10.854 311 HB3 GLU 35 2HB GLU 35 -13.037 -1.005 9.963 312 HG2 GLU 35 1HG GLU 35 -15.421 -0.935 8.955 313 HG3 GLU 35 2HG GLU 35 -15.860 -2.245 10.030 314 H LYS 36 H LYS 36 -15.063 -2.349 7.073 315 HA LYS 36 HA LYS 36 -16.744 -4.770 7.245 316 HB2 LYS 36 1HB LYS 36 -17.395 -2.392 6.445 317 HB3 LYS 36 2HB LYS 36 -16.504 -2.696 4.977 318 HG2 LYS 36 1HG LYS 36 -18.211 -4.860 4.807 319 HG3 LYS 36 2HG LYS 36 -19.120 -3.945 5.991 320 HD2 LYS 36 1HD LYS 36 -20.076 -3.140 3.985 321 HD3 LYS 36 2HD LYS 36 -18.900 -1.882 4.338 322 HE2 LYS 36 1HE LYS 36 -17.226 -3.286 2.777 323 HE3 LYS 36 2HE LYS 36 -18.641 -4.213 2.294 324 HZ1 LYS 36 3HZ LYS 36 -17.860 -1.449 1.606 325 HZ2 LYS 36 1HZ LYS 36 -18.804 -2.454 0.743 326 HZ3 LYS 36 2HZ LYS 36 -19.474 -1.561 1.974 327 H ALA 37 H ALA 37 -14.378 -3.826 4.653 328 HA ALA 37 HA ALA 37 -14.578 -6.374 3.186 329 HB1 ALA 37 3HB ALA 37 -13.889 -4.187 2.165 330 HB2 ALA 37 1HB ALA 37 -12.410 -4.172 3.148 331 HB3 ALA 37 2HB ALA 37 -12.643 -5.424 1.904 332 H LEU 38 H LEU 38 -12.271 -5.445 5.821 333 HA LEU 38 HA LEU 38 -10.766 -7.989 5.644 334 HG LEU 38 HG LEU 38 -8.804 -6.577 8.591 335 HB2 LEU 38 1HB LEU 38 -10.174 -5.653 6.809 336 HB3 LEU 38 2HB LEU 38 -11.073 -6.261 8.160 337 HD11 LEU 38 1HD1 LEU 38 -9.554 -9.417 7.660 338 HD12 LEU 38 2HD1 LEU 38 -8.441 -8.964 8.977 339 HD13 LEU 38 3HD1 LEU 38 -10.184 -8.673 9.136 340 HD21 LEU 38 3HD2 LEU 38 -8.366 -7.939 5.858 341 HD22 LEU 38 1HD2 LEU 38 -7.903 -6.275 6.283 342 HD23 LEU 38 2HD2 LEU 38 -7.121 -7.638 7.094 343 H ALA 39 H ALA 39 -13.448 -6.965 7.874 344 HA ALA 39 HA ALA 39 -13.731 -9.563 9.201 345 HB1 ALA 39 3HB ALA 39 -14.550 -7.423 10.183 346 HB2 ALA 39 1HB ALA 39 -15.766 -7.257 8.898 347 HB3 ALA 39 2HB ALA 39 -15.876 -8.592 10.069 348 H ARG 40 H ARG 40 -15.680 -8.248 6.446 349 HA ARG 40 HA ARG 40 -16.987 -10.974 6.022 350 HE ARG 40 HE ARG 40 -16.853 -9.634 2.317 351 HB2 ARG 40 1HB ARG 40 -18.265 -8.796 5.844 352 HB3 ARG 40 2HB ARG 40 -17.251 -8.317 4.509 353 HG2 ARG 40 1HG ARG 40 -18.370 -10.966 3.829 354 HG3 ARG 40 2HG ARG 40 -19.651 -10.054 4.572 355 HD2 ARG 40 1HD ARG 40 -19.776 -9.704 2.164 356 HD3 ARG 40 2HD ARG 40 -19.298 -8.157 2.903 357 HH11 ARG 40 2HH1 ARG 40 -19.390 -8.099 0.490 358 HH12 ARG 40 1HH1 ARG 40 -18.261 -7.692 -0.894 359 HH21 ARG 40 2HH2 ARG 40 -15.625 -9.184 0.760 360 HH22 ARG 40 1HH2 ARG 40 -16.192 -8.290 -0.729 361 H ALA 41 H ALA 41 -14.561 -11.542 5.944 362 HA ALA 41 HA ALA 41 -13.895 -12.620 3.283 363 HB1 ALA 41 3HB ALA 41 -11.791 -11.387 2.766 364 HB2 ALA 41 1HB ALA 41 -13.145 -10.252 2.795 365 HB3 ALA 41 2HB ALA 41 -12.044 -10.309 4.181 366 H GLY 42 H GLY 42 -12.183 -11.602 6.316 367 HA2 GLY 42 1HA GLY 42 -11.245 -13.163 7.969 368 HA3 GLY 42 2HA GLY 42 -11.461 -14.497 6.868 369 H ALA 43 H ALA 43 -9.439 -11.592 7.311 370 HA ALA 43 HA ALA 43 -7.066 -12.963 6.002 371 HB1 ALA 43 3HB ALA 43 -7.237 -10.156 7.250 372 HB2 ALA 43 1HB ALA 43 -5.927 -10.799 6.244 373 HB3 ALA 43 2HB ALA 43 -7.537 -10.545 5.537 374 H ARG 44 H ARG 44 -5.546 -14.029 7.064 375 HA ARG 44 HA ARG 44 -5.498 -14.239 10.036 376 HE ARG 44 HE ARG 44 -3.149 -18.129 7.389 377 HB2 ARG 44 1HB ARG 44 -4.009 -15.608 7.735 378 HB3 ARG 44 2HB ARG 44 -3.384 -15.781 9.343 379 HG2 ARG 44 1HG ARG 44 -5.244 -16.955 10.205 380 HG3 ARG 44 2HG ARG 44 -6.359 -16.362 8.993 381 HD2 ARG 44 1HD ARG 44 -5.852 -18.792 8.641 382 HD3 ARG 44 2HD ARG 44 -5.514 -17.789 7.260 383 HH11 ARG 44 2HH1 ARG 44 -4.662 -19.576 10.184 384 HH12 ARG 44 1HH1 ARG 44 -3.173 -20.580 10.564 385 HH21 ARG 44 2HH2 ARG 44 -1.546 -19.334 7.761 386 HH22 ARG 44 1HH2 ARG 44 -1.472 -20.412 9.258 387 H ASN 45 H ASN 45 -3.146 -12.762 7.748 388 HA ASN 45 HA ASN 45 -1.739 -11.540 10.191 389 HB2 ASN 45 1HB ASN 45 -0.437 -12.209 7.489 390 HB3 ASN 45 2HB ASN 45 0.340 -11.434 8.842 391 HD21 ASN 45 1HD2 ASN 45 -0.536 -14.460 7.479 392 HD22 ASN 45 2HD2 ASN 45 0.282 -15.440 8.808 393 H VAL 46 H VAL 46 -1.835 -9.308 10.261 394 HA VAL 46 HA VAL 46 -2.383 -7.771 7.639 395 HB VAL 46 HB VAL 46 -3.880 -7.040 10.188 396 HG11 VAL 46 1HG1 VAL 46 -4.482 -6.344 7.237 397 HG12 VAL 46 2HG1 VAL 46 -5.345 -5.739 8.673 398 HG13 VAL 46 3HG1 VAL 46 -3.663 -5.265 8.383 399 HG21 VAL 46 3HG2 VAL 46 -5.977 -8.059 9.258 400 HG22 VAL 46 1HG2 VAL 46 -5.040 -8.795 7.927 401 HG23 VAL 46 2HG2 VAL 46 -4.774 -9.302 9.607 402 H GLN 47 H GLN 47 -0.699 -6.481 7.313 403 HA GLN 47 HA GLN 47 0.653 -4.943 9.606 404 HB2 GLN 47 1HB GLN 47 1.319 -5.142 6.615 405 HB3 GLN 47 2HB GLN 47 2.132 -4.061 7.725 406 HG2 GLN 47 1HG GLN 47 3.023 -5.958 9.063 407 HG3 GLN 47 2HG GLN 47 2.166 -7.131 8.074 408 HE21 GLN 47 1HE2 GLN 47 3.037 -7.542 5.907 409 HE22 GLN 47 2HE2 GLN 47 4.702 -6.903 5.488 410 H ILE 48 H ILE 48 -0.675 -3.239 10.199 411 HA ILE 48 HA ILE 48 -1.676 -1.323 7.995 412 HB ILE 48 HB ILE 48 -2.462 -1.392 10.956 413 HG12 ILE 48 1HG1 ILE 48 -4.286 -2.074 8.554 414 HG13 ILE 48 2HG1 ILE 48 -3.422 -3.296 9.466 415 HG21 ILE 48 1HG2 ILE 48 -3.574 0.378 8.654 416 HG22 ILE 48 2HG2 ILE 48 -4.170 0.368 10.334 417 HG23 ILE 48 3HG2 ILE 48 -2.547 0.955 9.980 418 HD11 ILE 48 3HD1 ILE 48 -4.578 -2.629 11.600 419 HD12 ILE 48 1HD1 ILE 48 -5.547 -1.434 10.699 420 HD13 ILE 48 2HD1 ILE 48 -5.709 -3.165 10.334 421 H THR 49 H THR 49 -0.228 0.248 7.547 422 HA THR 49 HA THR 49 1.556 1.378 9.752 423 HB THR 49 HB THR 49 2.165 0.802 6.853 424 HG1 THR 49 HG1 THR 49 4.001 1.299 8.941 425 HG21 THR 49 3HG2 THR 49 4.089 2.492 6.884 426 HG22 THR 49 1HG2 THR 49 2.490 3.230 6.633 427 HG23 THR 49 2HG2 THR 49 3.268 3.326 8.226 428 H ILE 50 H ILE 50 1.012 3.327 10.427 429 HA ILE 50 HA ILE 50 -0.248 5.227 8.424 430 HB ILE 50 HB ILE 50 -1.987 4.318 9.974 431 HG12 ILE 50 1HG1 ILE 50 -1.677 7.369 9.972 432 HG13 ILE 50 2HG1 ILE 50 -2.142 6.419 8.572 433 HG21 ILE 50 1HG2 ILE 50 -0.765 4.343 12.159 434 HG22 ILE 50 2HG2 ILE 50 -0.699 6.122 12.134 435 HG23 ILE 50 3HG2 ILE 50 -2.258 5.281 12.265 436 HD11 ILE 50 3HD1 ILE 50 -4.171 7.358 9.626 437 HD12 ILE 50 1HD1 ILE 50 -4.213 5.584 9.739 438 HD13 ILE 50 2HD1 ILE 50 -3.807 6.555 11.169 439 H SER 51 H SER 51 0.853 7.032 8.072 440 HA SER 51 HA SER 51 3.167 7.756 9.828 441 HG SER 51 HG SER 51 1.816 10.289 7.564 442 HB2 SER 51 1HB SER 51 3.806 9.356 8.152 443 HB3 SER 51 2HB SER 51 3.341 7.858 7.363 444 H ALA 52 H ALA 52 3.305 9.280 11.311 445 HA ALA 52 HA ALA 52 1.018 11.237 11.790 446 HB1 ALA 52 3HB ALA 52 3.331 10.297 13.628 447 HB2 ALA 52 1HB ALA 52 1.892 11.202 14.115 448 HB3 ALA 52 2HB ALA 52 1.739 9.527 13.546 449 H GLU 53 H GLU 53 1.296 13.392 12.238 450 HA GLU 53 HA GLU 53 3.580 14.955 11.300 451 HB2 GLU 53 1HB GLU 53 1.424 15.739 13.354 452 HB3 GLU 53 2HB GLU 53 2.520 16.858 12.578 453 HG2 GLU 53 1HG GLU 53 0.333 15.248 11.100 454 HG3 GLU 53 2HG GLU 53 0.237 16.934 11.581 455 H ASN 54 H ASN 54 3.010 13.580 14.507 456 HA ASN 54 HA ASN 54 5.761 14.272 15.408 457 HB2 ASN 54 1HB ASN 54 4.089 16.343 15.928 458 HB3 ASN 54 2HB ASN 54 3.469 15.331 17.205 459 HD21 ASN 54 1HD2 ASN 54 6.214 17.152 16.064 460 HD22 ASN 54 2HD2 ASN 54 7.083 17.135 17.694 461 H ASP 55 H ASP 55 5.984 13.505 17.871 462 HA ASP 55 HA ASP 55 5.450 10.596 17.897 463 HB2 ASP 55 1HB ASP 55 7.521 11.744 18.810 464 HB3 ASP 55 2HB ASP 55 6.563 12.473 20.093 465 H GLU 56 H GLU 56 4.077 13.255 19.983 466 HA GLU 56 HA GLU 56 2.053 11.567 21.270 467 HB2 GLU 56 1HB GLU 56 2.039 14.605 20.797 468 HB3 GLU 56 2HB GLU 56 0.809 13.755 21.715 469 HG2 GLU 56 1HG GLU 56 2.577 12.893 23.337 470 HG3 GLU 56 2HG GLU 56 3.804 13.814 22.475 471 H GLN 57 H GLN 57 1.843 13.262 18.187 472 HA GLN 57 HA GLN 57 -0.943 12.364 17.521 473 HB2 GLN 57 1HB GLN 57 1.389 13.356 15.781 474 HB3 GLN 57 2HB GLN 57 -0.106 12.804 15.071 475 HG2 GLN 57 1HG GLN 57 0.004 15.116 17.117 476 HG3 GLN 57 2HG GLN 57 0.117 15.356 15.391 477 HE21 GLN 57 1HE2 GLN 57 -1.809 14.932 14.098 478 HE22 GLN 57 2HE2 GLN 57 -3.440 14.869 14.959 479 H ALA 58 H ALA 58 2.302 10.894 16.896 480 HA ALA 58 HA ALA 58 1.287 8.435 15.672 481 HB1 ALA 58 3HB ALA 58 3.708 9.150 15.637 482 HB2 ALA 58 1HB ALA 58 3.838 8.864 17.382 483 HB3 ALA 58 2HB ALA 58 3.544 7.512 16.290 484 H LYS 59 H LYS 59 1.810 9.151 19.167 485 HA LYS 59 HA LYS 59 0.575 6.704 20.243 486 HB2 LYS 59 1HB LYS 59 1.801 8.245 21.704 487 HB3 LYS 59 2HB LYS 59 0.691 9.559 21.353 488 HG2 LYS 59 1HG LYS 59 -1.213 8.251 22.421 489 HG3 LYS 59 2HG LYS 59 -0.099 6.973 22.860 490 HD2 LYS 59 1HD LYS 59 1.053 8.430 24.478 491 HD3 LYS 59 2HD LYS 59 0.408 9.883 23.737 492 HE2 LYS 59 1HE LYS 59 -0.761 9.510 25.857 493 HE3 LYS 59 2HE LYS 59 -1.880 9.454 24.504 494 HZ1 LYS 59 3HZ LYS 59 -2.290 7.558 26.075 495 HZ2 LYS 59 1HZ LYS 59 -1.904 6.966 24.597 496 HZ3 LYS 59 2HZ LYS 59 -0.772 6.950 25.795 497 H GLU 60 H GLU 60 -1.119 9.855 19.545 498 HA GLU 60 HA GLU 60 -3.739 8.671 20.071 499 HB2 GLU 60 1HB GLU 60 -3.167 11.249 18.542 500 HB3 GLU 60 2HB GLU 60 -4.746 10.718 19.097 501 HG2 GLU 60 1HG GLU 60 -2.375 11.464 20.918 502 HG3 GLU 60 2HG GLU 60 -3.846 12.385 20.677 503 H LEU 61 H LEU 61 -2.106 8.904 16.921 504 HA LEU 61 HA LEU 61 -4.268 7.486 15.436 505 HG LEU 61 HG LEU 61 -2.512 9.918 14.624 506 HB2 LEU 61 1HB LEU 61 -1.261 7.682 14.874 507 HB3 LEU 61 2HB LEU 61 -2.418 6.959 13.780 508 HD11 LEU 61 1HD1 LEU 61 -1.399 8.615 12.049 509 HD12 LEU 61 2HD1 LEU 61 -1.553 10.366 12.345 510 HD13 LEU 61 3HD1 LEU 61 -0.457 9.390 13.337 511 HD21 LEU 61 3HD2 LEU 61 -4.069 10.194 12.669 512 HD22 LEU 61 1HD2 LEU 61 -4.067 8.437 12.394 513 HD23 LEU 61 2HD2 LEU 61 -4.766 9.112 13.885 514 H LEU 62 H LEU 62 -1.433 6.205 17.244 515 HA LEU 62 HA LEU 62 -2.101 3.349 16.969 516 HG LEU 62 HG LEU 62 -1.313 3.088 20.360 517 HB2 LEU 62 1HB LEU 62 0.076 3.967 17.748 518 HB3 LEU 62 2HB LEU 62 -0.542 5.006 18.993 519 HD11 LEU 62 1HD1 LEU 62 -1.697 1.335 18.608 520 HD12 LEU 62 2HD1 LEU 62 0.042 1.308 18.219 521 HD13 LEU 62 3HD1 LEU 62 -0.534 0.755 19.811 522 HD21 LEU 62 3HD2 LEU 62 0.949 4.104 20.693 523 HD22 LEU 62 1HD2 LEU 62 0.978 2.372 21.054 524 HD23 LEU 62 2HD2 LEU 62 1.664 2.971 19.520 525 H GLU 63 H GLU 63 -3.076 5.582 19.635 526 HA GLU 63 HA GLU 63 -5.091 3.842 20.789 527 HB2 GLU 63 1HB GLU 63 -4.372 6.774 20.942 528 HB3 GLU 63 2HB GLU 63 -6.037 6.479 21.234 529 HG2 GLU 63 1HG GLU 63 -4.976 6.455 23.369 530 HG3 GLU 63 2HG GLU 63 -5.411 4.775 23.069 531 H LEU 64 H LEU 64 -5.559 5.973 17.964 532 HA LEU 64 HA LEU 64 -8.387 5.218 17.520 533 HG LEU 64 HG LEU 64 -8.247 5.200 14.316 534 HB2 LEU 64 1HB LEU 64 -7.280 7.191 16.474 535 HB3 LEU 64 2HB LEU 64 -6.230 6.131 15.566 536 HD11 LEU 64 1HD1 LEU 64 -9.777 7.478 15.759 537 HD12 LEU 64 2HD1 LEU 64 -10.396 6.525 14.389 538 HD13 LEU 64 3HD1 LEU 64 -10.084 5.733 15.941 539 HD21 LEU 64 3HD2 LEU 64 -6.818 7.003 13.341 540 HD22 LEU 64 1HD2 LEU 64 -8.513 7.230 12.870 541 HD23 LEU 64 2HD2 LEU 64 -7.800 8.256 14.141 542 H ILE 65 H ILE 65 -5.429 3.801 15.953 543 HA ILE 65 HA ILE 65 -6.945 1.605 14.691 544 HB ILE 65 HB ILE 65 -3.952 1.806 15.195 545 HG12 ILE 65 1HG1 ILE 65 -5.458 2.159 12.522 546 HG13 ILE 65 2HG1 ILE 65 -5.036 3.506 13.560 547 HG21 ILE 65 1HG2 ILE 65 -3.703 -0.070 13.444 548 HG22 ILE 65 2HG2 ILE 65 -4.513 -0.620 14.896 549 HG23 ILE 65 3HG2 ILE 65 -5.468 -0.271 13.438 550 HD11 ILE 65 3HD1 ILE 65 -2.915 1.621 12.319 551 HD12 ILE 65 1HD1 ILE 65 -3.344 3.238 11.756 552 HD13 ILE 65 2HD1 ILE 65 -2.589 3.024 13.356 553 H ALA 66 H ALA 66 -5.116 1.579 17.835 554 HA ALA 66 HA ALA 66 -5.670 -1.192 18.560 555 HB1 ALA 66 3HB ALA 66 -4.065 0.271 19.788 556 HB2 ALA 66 1HB ALA 66 -5.393 1.299 20.371 557 HB3 ALA 66 2HB ALA 66 -5.271 -0.395 20.906 558 H ARG 67 H ARG 67 -7.767 1.657 19.122 559 HA ARG 67 HA ARG 67 -10.035 0.090 20.265 560 HE ARG 67 HE ARG 67 -9.130 2.834 24.214 561 HB2 ARG 67 1HB ARG 67 -9.711 2.950 19.217 562 HB3 ARG 67 2HB ARG 67 -11.312 2.311 19.422 563 HG2 ARG 67 1HG ARG 67 -10.676 3.601 21.365 564 HG3 ARG 67 2HG ARG 67 -11.072 1.957 21.815 565 HD2 ARG 67 1HD ARG 67 -8.806 1.360 22.326 566 HD3 ARG 67 2HD ARG 67 -8.093 2.647 21.417 567 HH11 ARG 67 2HH1 ARG 67 -8.282 4.741 21.412 568 HH12 ARG 67 1HH1 ARG 67 -8.086 6.256 22.422 569 HH21 ARG 67 2HH2 ARG 67 -8.812 4.567 25.328 570 HH22 ARG 67 1HH2 ARG 67 -8.356 6.135 24.519 571 H LEU 68 H LEU 68 -9.362 1.137 16.874 572 HA LEU 68 HA LEU 68 -11.649 -0.198 15.609 573 HG LEU 68 HG LEU 68 -10.144 -1.329 13.079 574 HB2 LEU 68 1HB LEU 68 -10.056 1.422 14.489 575 HB3 LEU 68 2HB LEU 68 -8.783 0.229 14.602 576 HD11 LEU 68 1HD1 LEU 68 -12.428 -0.398 13.350 577 HD12 LEU 68 2HD1 LEU 68 -11.904 1.196 12.758 578 HD13 LEU 68 3HD1 LEU 68 -11.935 -0.200 11.668 579 HD21 LEU 68 3HD2 LEU 68 -8.236 0.002 12.213 580 HD22 LEU 68 1HD2 LEU 68 -9.531 -0.072 11.002 581 HD23 LEU 68 2HD2 LEU 68 -9.289 1.410 11.954 582 H LEU 69 H LEU 69 -8.382 -1.555 16.245 583 HA LEU 69 HA LEU 69 -9.071 -4.303 15.400 584 HG LEU 69 HG LEU 69 -6.664 -2.277 14.843 585 HB2 LEU 69 1HB LEU 69 -6.770 -3.303 17.154 586 HB3 LEU 69 2HB LEU 69 -6.871 -4.902 16.455 587 HD11 LEU 69 1HD1 LEU 69 -4.355 -3.052 14.321 588 HD12 LEU 69 2HD1 LEU 69 -4.590 -2.844 16.068 589 HD13 LEU 69 3HD1 LEU 69 -4.573 -4.479 15.364 590 HD21 LEU 69 3HD2 LEU 69 -6.253 -3.712 12.836 591 HD22 LEU 69 1HD2 LEU 69 -6.651 -5.162 13.780 592 HD23 LEU 69 2HD2 LEU 69 -7.891 -3.919 13.462 593 H GLN 70 H GLN 70 -9.147 -2.861 18.690 594 HA GLN 70 HA GLN 70 -10.268 -5.260 20.026 595 HB2 GLN 70 1HB GLN 70 -10.544 -2.259 20.654 596 HB3 GLN 70 2HB GLN 70 -11.204 -3.516 21.682 597 HG2 GLN 70 1HG GLN 70 -8.953 -4.465 22.142 598 HG3 GLN 70 2HG GLN 70 -8.193 -3.344 21.028 599 HE21 GLN 70 1HE2 GLN 70 -8.385 -3.773 24.171 600 HE22 GLN 70 2HE2 GLN 70 -8.358 -2.003 24.682 601 H LYS 71 H LYS 71 -11.991 -2.484 18.450 602 HA LYS 71 HA LYS 71 -14.710 -3.530 18.658 603 HB2 LYS 71 1HB LYS 71 -14.060 -1.202 17.942 604 HB3 LYS 71 2HB LYS 71 -13.382 -1.840 16.461 605 HG2 LYS 71 1HG LYS 71 -15.834 -2.729 15.934 606 HG3 LYS 71 2HG LYS 71 -16.357 -1.702 17.266 607 HD2 LYS 71 1HD LYS 71 -15.298 0.312 16.088 608 HD3 LYS 71 2HD LYS 71 -14.715 -0.757 14.811 609 HE2 LYS 71 1HE LYS 71 -17.160 -1.407 14.286 610 HE3 LYS 71 2HE LYS 71 -17.703 -0.191 15.456 611 HZ1 LYS 71 3HZ LYS 71 -17.490 0.749 13.089 612 HZ2 LYS 71 1HZ LYS 71 -16.368 1.513 14.055 613 HZ3 LYS 71 2HZ LYS 71 -15.954 0.288 13.017 614 H LEU 72 H LEU 72 -12.378 -4.111 15.956 615 HA LEU 72 HA LEU 72 -14.053 -6.144 14.614 616 HG LEU 72 HG LEU 72 -12.873 -3.925 13.365 617 HB2 LEU 72 1HB LEU 72 -11.051 -5.507 14.525 618 HB3 LEU 72 2HB LEU 72 -11.735 -6.778 13.549 619 HD11 LEU 72 1HD1 LEU 72 -11.362 -3.454 11.480 620 HD12 LEU 72 2HD1 LEU 72 -10.400 -3.797 12.925 621 HD13 LEU 72 3HD1 LEU 72 -10.558 -5.029 11.645 622 HD21 LEU 72 3HD2 LEU 72 -12.830 -6.303 11.371 623 HD22 LEU 72 1HD2 LEU 72 -14.241 -5.783 12.323 624 HD23 LEU 72 2HD2 LEU 72 -13.582 -4.723 11.073 625 H GLY 73 H GLY 73 -11.390 -6.634 16.993 626 HA2 GLY 73 1HA GLY 73 -11.741 -8.330 18.793 627 HA3 GLY 73 2HA GLY 73 -12.726 -9.302 17.729 628 H TYR 74 H TYR 74 -9.387 -8.182 18.156 629 HA TYR 74 HA TYR 74 -8.390 -10.834 16.963 630 HD1 TYR 74 HD2 TYR 74 -8.344 -10.813 14.516 631 HD2 TYR 74 HD1 TYR 74 -7.870 -6.617 15.292 632 HE1 TYR 74 HE2 TYR 74 -9.416 -10.280 12.355 633 HE2 TYR 74 HE1 TYR 74 -8.937 -6.101 13.145 634 HH TYR 74 HH TYR 74 -10.008 -6.914 11.398 635 HB2 TYR 74 1HB TYR 74 -6.981 -8.106 16.872 636 HB3 TYR 74 2HB TYR 74 -6.383 -9.586 16.178 637 H LYS 75 H LYS 75 -6.769 -11.922 17.843 638 HA LYS 75 HA LYS 75 -6.116 -11.484 20.714 639 HB2 LYS 75 1HB LYS 75 -5.013 -13.628 20.678 640 HB3 LYS 75 2HB LYS 75 -6.607 -13.714 19.964 641 HG2 LYS 75 1HG LYS 75 -5.401 -13.644 17.604 642 HG3 LYS 75 2HG LYS 75 -3.899 -13.758 18.481 643 HD2 LYS 75 1HD LYS 75 -4.333 -15.900 17.731 644 HD3 LYS 75 2HD LYS 75 -4.563 -15.969 19.467 645 HE2 LYS 75 1HE LYS 75 -7.012 -16.112 19.278 646 HE3 LYS 75 2HE LYS 75 -7.009 -15.519 17.612 647 HZ1 LYS 75 3HZ LYS 75 -7.220 -18.031 17.719 648 HZ2 LYS 75 1HZ LYS 75 -5.906 -17.517 16.857 649 HZ3 LYS 75 2HZ LYS 75 -5.702 -18.126 18.375 650 H ASP 76 H ASP 76 -3.807 -11.742 17.912 651 HA ASP 76 HA ASP 76 -1.672 -10.612 19.753 652 HB2 ASP 76 1HB ASP 76 -1.434 -11.984 17.035 653 HB3 ASP 76 2HB ASP 76 -0.095 -11.517 18.065 654 H ILE 77 H ILE 77 -2.517 -8.472 19.631 655 HA ILE 77 HA ILE 77 -2.211 -6.905 17.035 656 HB ILE 77 HB ILE 77 -3.207 -6.069 19.798 657 HG12 ILE 77 1HG1 ILE 77 -4.853 -6.315 17.185 658 HG13 ILE 77 2HG1 ILE 77 -4.691 -7.652 18.298 659 HG21 ILE 77 1HG2 ILE 77 -3.984 -3.908 18.673 660 HG22 ILE 77 2HG2 ILE 77 -2.227 -4.061 18.728 661 HG23 ILE 77 3HG2 ILE 77 -3.088 -4.386 17.212 662 HD11 ILE 77 3HD1 ILE 77 -5.728 -6.332 20.170 663 HD12 ILE 77 1HD1 ILE 77 -5.994 -4.963 19.057 664 HD13 ILE 77 2HD1 ILE 77 -6.806 -6.519 18.774 665 H ASN 78 H ASN 78 -0.062 -6.914 16.616 666 HA ASN 78 HA ASN 78 1.958 -6.367 18.802 667 HB2 ASN 78 1HB ASN 78 2.430 -7.233 15.896 668 HB3 ASN 78 2HB ASN 78 3.662 -7.034 17.107 669 HD21 ASN 78 1HD2 ASN 78 0.932 -9.025 16.228 670 HD22 ASN 78 2HD2 ASN 78 1.412 -10.366 17.376 671 H VAL 79 H VAL 79 2.087 -4.241 19.238 672 HA VAL 79 HA VAL 79 2.202 -2.105 17.244 673 HB VAL 79 HB VAL 79 1.331 -1.804 19.505 674 HG11 VAL 79 1HG1 VAL 79 2.777 -1.413 21.497 675 HG12 VAL 79 2HG1 VAL 79 3.012 -3.073 20.912 676 HG13 VAL 79 3HG1 VAL 79 4.237 -1.835 20.568 677 HG21 VAL 79 3HG2 VAL 79 2.151 0.455 19.902 678 HG22 VAL 79 1HG2 VAL 79 3.666 0.131 19.034 679 HG23 VAL 79 2HG2 VAL 79 2.121 0.188 18.145 680 H ARG 80 H ARG 80 3.771 -1.557 15.949 681 HA ARG 80 HA ARG 80 6.729 -2.102 16.592 682 HE ARG 80 HE ARG 80 9.251 -4.734 13.222 683 HB2 ARG 80 1HB ARG 80 5.416 -3.916 15.275 684 HB3 ARG 80 2HB ARG 80 5.195 -2.754 13.986 685 HG2 ARG 80 1HG ARG 80 7.712 -2.618 13.688 686 HG3 ARG 80 2HG ARG 80 7.918 -3.745 15.039 687 HD2 ARG 80 1HD ARG 80 6.474 -5.471 13.712 688 HD3 ARG 80 2HD ARG 80 6.479 -4.345 12.348 689 HH11 ARG 80 2HH1 ARG 80 6.690 -6.612 11.570 690 HH12 ARG 80 1HH1 ARG 80 7.976 -7.694 10.866 691 HH21 ARG 80 2HH2 ARG 80 10.583 -6.009 12.318 692 HH22 ARG 80 1HH2 ARG 80 10.028 -7.359 11.229 693 H VAL 81 H VAL 81 6.445 0.256 17.139 694 HA VAL 81 HA VAL 81 5.800 2.132 14.935 695 HB VAL 81 HB VAL 81 6.550 2.698 17.842 696 HG11 VAL 81 1HG1 VAL 81 5.588 5.021 17.456 697 HG12 VAL 81 2HG1 VAL 81 7.071 4.759 16.539 698 HG13 VAL 81 3HG1 VAL 81 5.506 4.694 15.708 699 HG21 VAL 81 3HG2 VAL 81 4.116 3.147 18.149 700 HG22 VAL 81 1HG2 VAL 81 3.795 2.875 16.420 701 HG23 VAL 81 2HG2 VAL 81 4.294 1.528 17.449 702 H ASN 82 H ASN 82 7.098 2.902 13.508 703 HA ASN 82 HA ASN 82 10.152 2.956 13.845 704 HB2 ASN 82 1HB ASN 82 9.191 1.571 12.049 705 HB3 ASN 82 2HB ASN 82 8.179 2.880 11.481 706 HD21 ASN 82 1HD2 ASN 82 8.988 2.496 9.462 707 HD22 ASN 82 2HD2 ASN 82 10.676 3.119 8.994 708 H GLY 83 H GLY 83 9.539 4.760 15.372 709 HA2 GLY 83 1HA GLY 83 9.767 7.126 15.898 710 HA3 GLY 83 2HA GLY 83 10.064 7.494 14.214 711 H THR 84 H THR 84 8.406 8.243 13.009 712 HA THR 84 HA THR 84 5.649 8.653 14.276 713 HB THR 84 HB THR 84 5.212 10.286 12.476 714 HG1 THR 84 HG1 THR 84 6.885 11.007 11.220 715 HG21 THR 84 3HG2 THR 84 7.786 11.005 14.003 716 HG22 THR 84 1HG2 THR 84 6.603 12.145 13.306 717 HG23 THR 84 2HG2 THR 84 6.143 11.102 14.674 718 H GLU 85 H GLU 85 7.142 6.518 12.076 719 HA GLU 85 HA GLU 85 4.661 5.895 10.435 720 HB2 GLU 85 1HB GLU 85 6.869 5.946 9.402 721 HB3 GLU 85 2HB GLU 85 7.518 4.737 10.481 722 HG2 GLU 85 1HG GLU 85 5.236 4.246 8.452 723 HG3 GLU 85 2HG GLU 85 6.925 4.059 8.074 724 H VAL 86 H VAL 86 3.146 5.105 11.753 725 HA VAL 86 HA VAL 86 3.784 3.238 14.054 726 HB VAL 86 HB VAL 86 1.238 4.694 13.171 727 HG11 VAL 86 1HG1 VAL 86 0.186 4.094 15.345 728 HG12 VAL 86 2HG1 VAL 86 0.496 2.643 14.392 729 HG13 VAL 86 3HG1 VAL 86 1.557 3.038 15.765 730 HG21 VAL 86 3HG2 VAL 86 3.000 6.205 14.157 731 HG22 VAL 86 1HG2 VAL 86 1.559 6.103 15.177 732 HG23 VAL 86 2HG2 VAL 86 3.031 5.213 15.636 733 H LYS 87 H LYS 87 4.328 1.268 13.087 734 HA LYS 87 HA LYS 87 2.336 -0.065 11.237 735 HB2 LYS 87 1HB LYS 87 4.815 -0.111 10.786 736 HB3 LYS 87 2HB LYS 87 5.034 -1.177 12.151 737 HG2 LYS 87 1HG LYS 87 3.578 -2.910 11.143 738 HG3 LYS 87 2HG LYS 87 3.077 -1.856 9.838 739 HD2 LYS 87 1HD LYS 87 6.043 -2.687 10.229 740 HD3 LYS 87 2HD LYS 87 4.875 -3.696 9.414 741 HE2 LYS 87 1HE LYS 87 5.883 -2.652 7.614 742 HE3 LYS 87 2HE LYS 87 4.366 -1.784 7.758 743 HZ1 LYS 87 3HZ LYS 87 5.493 0.144 8.687 744 HZ2 LYS 87 1HZ LYS 87 6.799 -0.647 9.158 745 HZ3 LYS 87 2HZ LYS 87 6.564 -0.334 7.564 746 H ILE 88 H ILE 88 0.631 -0.960 12.235 747 HA ILE 88 HA ILE 88 1.093 -2.554 14.840 748 HB ILE 88 HB ILE 88 -1.479 -1.265 13.869 749 HG12 ILE 88 1HG1 ILE 88 0.068 -0.620 16.479 750 HG13 ILE 88 2HG1 ILE 88 0.514 0.176 14.992 751 HG21 ILE 88 1HG2 ILE 88 -0.912 -2.926 16.439 752 HG22 ILE 88 2HG2 ILE 88 -2.404 -2.012 16.124 753 HG23 ILE 88 3HG2 ILE 88 -1.981 -3.398 15.102 754 HD11 ILE 88 3HD1 ILE 88 -2.281 0.371 16.249 755 HD12 ILE 88 1HD1 ILE 88 -1.022 1.627 16.147 756 HD13 ILE 88 2HD1 ILE 88 -1.806 1.060 14.667 757 H GLU 89 H GLU 89 1.235 -4.556 14.587 758 HA GLU 89 HA GLU 89 0.528 -5.848 11.927 759 HB2 GLU 89 1HB GLU 89 2.871 -5.263 12.627 760 HB3 GLU 89 2HB GLU 89 2.766 -6.384 13.962 761 HG2 GLU 89 1HG GLU 89 2.490 -8.310 12.301 762 HG3 GLU 89 2HG GLU 89 2.519 -7.159 10.972 763 H VAL 90 H VAL 90 -1.326 -6.915 12.137 764 HA VAL 90 HA VAL 90 -2.196 -8.284 14.669 765 HB VAL 90 HB VAL 90 -3.551 -8.222 11.928 766 HG11 VAL 90 1HG1 VAL 90 -4.455 -10.157 13.206 767 HG12 VAL 90 2HG1 VAL 90 -4.755 -9.121 14.619 768 HG13 VAL 90 3HG1 VAL 90 -5.674 -8.884 13.108 769 HG21 VAL 90 3HG2 VAL 90 -4.304 -6.582 14.446 770 HG22 VAL 90 1HG2 VAL 90 -3.456 -5.907 13.035 771 HG23 VAL 90 2HG2 VAL 90 -5.103 -6.526 12.856 772 H ARG 91 H ARG 91 -1.811 -10.355 15.156 773 HA ARG 91 HA ARG 91 -1.740 -12.424 12.875 774 HE ARG 91 HE ARG 91 1.972 -11.346 14.813 775 HB2 ARG 91 1HB ARG 91 -0.053 -12.310 15.399 776 HB3 ARG 91 2HB ARG 91 -0.806 -13.842 15.126 777 HG2 ARG 91 1HG ARG 91 1.344 -13.990 14.120 778 HG3 ARG 91 2HG ARG 91 0.179 -13.964 12.812 779 HD2 ARG 91 1HD ARG 91 2.023 -12.718 12.106 780 HD3 ARG 91 2HD ARG 91 0.722 -11.550 12.344 781 HH11 ARG 91 2HH1 ARG 91 3.344 -11.276 11.585 782 HH12 ARG 91 1HH1 ARG 91 4.447 -9.880 12.125 783 HH21 ARG 91 2HH2 ARG 91 3.338 -9.834 15.268 784 HH22 ARG 91 1HH2 ARG 91 4.459 -9.214 13.932 785 H VAL 92 H VAL 92 -3.533 -13.558 12.732 786 HA VAL 92 HA VAL 92 -5.470 -13.822 15.077 787 HB VAL 92 HB VAL 92 -5.868 -14.700 12.158 788 HG11 VAL 92 1HG1 VAL 92 -7.976 -14.181 14.367 789 HG12 VAL 92 2HG1 VAL 92 -8.314 -14.656 12.687 790 HG13 VAL 92 3HG1 VAL 92 -7.491 -15.786 13.770 791 HG21 VAL 92 3HG2 VAL 92 -7.283 -12.612 11.853 792 HG22 VAL 92 1HG2 VAL 92 -6.754 -12.034 13.454 793 HG23 VAL 92 2HG2 VAL 92 -5.589 -12.210 12.133 Start of MODEL 16 1 H HIS -1 H HIS -1 6.619 14.517 -0.615 2 HA HIS -1 HA HIS -1 8.154 13.438 0.916 3 HD2 HIS -1 HD2 HIS -1 10.604 15.572 1.065 4 HE1 HIS -1 HE1 HIS -1 9.060 17.934 -2.010 5 HE2 HIS -1 HE2 HIS -1 11.285 17.037 -1.062 6 HB2 HIS -1 1HB HIS -1 6.835 16.067 1.840 7 HB3 HIS -1 2HB HIS -1 8.310 15.434 2.534 8 H MET 0 H MET 0 5.795 14.708 3.284 9 HA MET 0 HA MET 0 5.301 11.870 4.310 10 HB2 MET 0 1HB MET 0 6.187 14.159 6.191 11 HB3 MET 0 2HB MET 0 5.562 12.600 6.683 12 HG2 MET 0 1HG MET 0 7.882 12.380 6.980 13 HG3 MET 0 2HG MET 0 7.604 11.492 5.475 14 HE1 MET 0 3HE MET 0 11.116 13.731 5.531 15 HE2 MET 0 1HE MET 0 10.182 13.434 7.025 16 HE3 MET 0 2HE MET 0 10.481 12.093 5.876 17 H LYS 1 H LYS 1 3.134 11.585 4.622 18 HA LYS 1 HA LYS 1 1.522 13.938 5.611 19 HB2 LYS 1 1HB LYS 1 1.297 13.724 3.039 20 HB3 LYS 1 2HB LYS 1 0.605 12.143 3.287 21 HG2 LYS 1 1HG LYS 1 -1.271 13.505 2.897 22 HG3 LYS 1 2HG LYS 1 -1.335 13.350 4.625 23 HD2 LYS 1 1HD LYS 1 -0.348 15.811 3.031 24 HD3 LYS 1 2HD LYS 1 -1.866 15.618 3.892 25 HE2 LYS 1 1HE LYS 1 -0.298 15.162 6.037 26 HE3 LYS 1 2HE LYS 1 0.962 15.943 5.077 27 HZ1 LYS 1 3HZ LYS 1 -0.417 17.992 5.046 28 HZ2 LYS 1 1HZ LYS 1 -1.682 17.192 5.790 29 HZ3 LYS 1 2HZ LYS 1 -0.227 17.408 6.598 30 H VAL 2 H VAL 2 -0.707 11.597 5.231 31 HA VAL 2 HA VAL 2 0.140 10.101 7.778 32 HB VAL 2 HB VAL 2 -2.792 10.720 7.161 33 HG11 VAL 2 1HG1 VAL 2 -3.242 9.817 9.431 34 HG12 VAL 2 2HG1 VAL 2 -2.496 8.601 8.387 35 HG13 VAL 2 3HG1 VAL 2 -1.516 9.423 9.633 36 HG21 VAL 2 3HG2 VAL 2 -1.717 12.857 7.958 37 HG22 VAL 2 1HG2 VAL 2 -2.773 12.209 9.216 38 HG23 VAL 2 2HG2 VAL 2 -1.004 12.013 9.346 39 H ASP 3 H ASP 3 1.201 8.738 6.381 40 HA ASP 3 HA ASP 3 -0.069 7.644 3.953 41 HB2 ASP 3 1HB ASP 3 2.593 6.887 5.296 42 HB3 ASP 3 2HB ASP 3 2.084 6.356 3.723 43 H ILE 4 H ILE 4 -1.812 6.430 4.593 44 HA ILE 4 HA ILE 4 -1.636 4.306 6.699 45 HB ILE 4 HB ILE 4 -3.874 5.221 4.845 46 HG12 ILE 4 1HG1 ILE 4 -4.039 5.922 7.808 47 HG13 ILE 4 2HG1 ILE 4 -2.884 6.816 6.855 48 HG21 ILE 4 1HG2 ILE 4 -5.555 4.159 6.374 49 HG22 ILE 4 2HG2 ILE 4 -4.500 2.972 5.602 50 HG23 ILE 4 3HG2 ILE 4 -4.240 3.404 7.303 51 HD11 ILE 4 3HD1 ILE 4 -4.630 7.592 5.271 52 HD12 ILE 4 1HD1 ILE 4 -5.873 6.641 6.130 53 HD13 ILE 4 2HD1 ILE 4 -5.055 8.004 6.943 54 H THR 5 H THR 5 -0.311 2.687 5.934 55 HA THR 5 HA THR 5 -0.884 1.384 3.203 56 HB THR 5 HB THR 5 1.702 1.310 4.817 57 HG1 THR 5 HG1 THR 5 0.945 3.309 3.789 58 HG21 THR 5 3HG2 THR 5 2.706 0.454 2.672 59 HG22 THR 5 1HG2 THR 5 1.509 -0.700 3.306 60 HG23 THR 5 2HG2 THR 5 1.094 0.359 1.932 61 H ILE 6 H ILE 6 -2.361 -0.104 3.594 62 HA ILE 6 HA ILE 6 -2.187 -1.903 6.072 63 HB ILE 6 HB ILE 6 -4.559 -1.466 4.192 64 HG12 ILE 6 1HG1 ILE 6 -3.957 -0.276 6.979 65 HG13 ILE 6 2HG1 ILE 6 -4.067 0.593 5.463 66 HG21 ILE 6 1HG2 ILE 6 -4.569 -3.744 5.320 67 HG22 ILE 6 2HG2 ILE 6 -4.481 -2.969 6.905 68 HG23 ILE 6 3HG2 ILE 6 -5.904 -2.734 5.861 69 HD11 ILE 6 3HD1 ILE 6 -6.421 -0.688 6.973 70 HD12 ILE 6 1HD1 ILE 6 -6.133 1.030 6.627 71 HD13 ILE 6 2HD1 ILE 6 -6.549 -0.090 5.302 72 H LYS 7 H LYS 7 -0.917 -3.579 5.687 73 HA LYS 7 HA LYS 7 -0.964 -5.146 3.064 74 HB2 LYS 7 1HB LYS 7 0.824 -5.100 5.544 75 HB3 LYS 7 2HB LYS 7 0.869 -6.469 4.493 76 HG2 LYS 7 1HG LYS 7 1.153 -3.819 3.028 77 HG3 LYS 7 2HG LYS 7 2.389 -4.101 4.235 78 HD2 LYS 7 1HD LYS 7 2.822 -6.427 3.215 79 HD3 LYS 7 2HD LYS 7 1.629 -6.060 1.982 80 HE2 LYS 7 1HE LYS 7 3.133 -4.030 1.268 81 HE3 LYS 7 2HE LYS 7 4.339 -4.611 2.429 82 HZ1 LYS 7 3HZ LYS 7 3.764 -6.958 1.093 83 HZ2 LYS 7 1HZ LYS 7 3.401 -5.854 -0.121 84 HZ3 LYS 7 2HZ LYS 7 4.921 -5.893 0.498 85 H ILE 8 H ILE 8 -2.799 -6.286 2.998 86 HA ILE 8 HA ILE 8 -3.829 -7.867 5.383 87 HB ILE 8 HB ILE 8 -5.008 -7.491 2.579 88 HG12 ILE 8 1HG1 ILE 8 -5.735 -5.969 5.161 89 HG13 ILE 8 2HG1 ILE 8 -4.891 -5.314 3.766 90 HG21 ILE 8 1HG2 ILE 8 -6.442 -8.508 5.117 91 HG22 ILE 8 2HG2 ILE 8 -7.134 -8.374 3.483 92 HG23 ILE 8 3HG2 ILE 8 -5.855 -9.549 3.790 93 HD11 ILE 8 3HD1 ILE 8 -7.162 -4.526 3.613 94 HD12 ILE 8 1HD1 ILE 8 -6.957 -5.726 2.314 95 HD13 ILE 8 2HD1 ILE 8 -7.846 -6.153 3.802 96 H GLN 9 H GLN 9 -2.396 -9.577 5.653 97 HA GLN 9 HA GLN 9 -1.239 -11.002 3.259 98 HB2 GLN 9 1HB GLN 9 0.171 -10.005 5.018 99 HB3 GLN 9 2HB GLN 9 -0.535 -11.060 6.229 100 HG2 GLN 9 1HG GLN 9 0.405 -13.081 4.917 101 HG3 GLN 9 2HG GLN 9 1.158 -11.961 3.788 102 HE21 GLN 9 1HE2 GLN 9 3.002 -10.757 4.538 103 HE22 GLN 9 2HE2 GLN 9 3.809 -11.237 6.141 104 H ARG 10 H ARG 10 -2.542 -12.510 2.450 105 HA ARG 10 HA ARG 10 -3.918 -14.588 4.263 106 HE ARG 10 HE ARG 10 -8.742 -12.981 2.709 107 HB2 ARG 10 1HB ARG 10 -4.647 -13.439 1.509 108 HB3 ARG 10 2HB ARG 10 -5.575 -14.666 2.340 109 HG2 ARG 10 1HG ARG 10 -6.271 -13.111 4.102 110 HG3 ARG 10 2HG ARG 10 -5.109 -11.898 3.588 111 HD2 ARG 10 1HD ARG 10 -7.179 -11.105 2.781 112 HD3 ARG 10 2HD ARG 10 -6.328 -11.628 1.359 113 HH11 ARG 10 2HH1 ARG 10 -6.434 -13.317 0.160 114 HH12 ARG 10 1HH1 ARG 10 -7.589 -14.295 -0.872 115 HH21 ARG 10 2HH2 ARG 10 -10.068 -13.900 1.523 116 HH22 ARG 10 1HH2 ARG 10 -9.599 -14.610 -0.104 117 H ASP 11 H ASP 11 -1.867 -15.853 4.150 118 HA ASP 11 HA ASP 11 -0.445 -17.556 3.273 119 HB2 ASP 11 1HB ASP 11 -3.193 -18.523 2.303 120 HB3 ASP 11 2HB ASP 11 -1.751 -19.519 2.300 121 H GLY 12 H GLY 12 0.442 -15.801 1.834 122 HA2 GLY 12 1HA GLY 12 1.681 -15.616 -0.348 123 HA3 GLY 12 2HA GLY 12 0.573 -16.736 -1.097 124 H GLN 13 H GLN 13 -1.875 -15.307 -0.197 125 HA GLN 13 HA GLN 13 -1.942 -13.135 -2.323 126 HB2 GLN 13 1HB GLN 13 -4.098 -14.345 -0.500 127 HB3 GLN 13 2HB GLN 13 -4.436 -13.009 -1.562 128 HG2 GLN 13 1HG GLN 13 -3.419 -15.774 -2.531 129 HG3 GLN 13 2HG GLN 13 -5.098 -15.314 -2.421 130 HE21 GLN 13 1HE2 GLN 13 -2.341 -15.141 -4.436 131 HE22 GLN 13 2HE2 GLN 13 -3.189 -14.143 -5.736 132 H GLU 14 H GLU 14 -0.341 -11.835 -1.198 133 HA GLU 14 HA GLU 14 -1.254 -10.307 1.227 134 HB2 GLU 14 1HB GLU 14 1.081 -11.161 0.971 135 HB3 GLU 14 2HB GLU 14 1.356 -10.023 -0.345 136 HG2 GLU 14 1HG GLU 14 0.985 -8.089 1.189 137 HG3 GLU 14 2HG GLU 14 0.503 -9.145 2.513 138 H ILE 15 H ILE 15 -2.799 -8.896 0.877 139 HA ILE 15 HA ILE 15 -2.834 -7.193 -1.663 140 HB ILE 15 HB ILE 15 -5.070 -7.463 0.394 141 HG12 ILE 15 1HG1 ILE 15 -4.941 -8.865 -2.353 142 HG13 ILE 15 2HG1 ILE 15 -4.531 -9.669 -0.857 143 HG21 ILE 15 1HG2 ILE 15 -6.504 -6.387 -1.354 144 HG22 ILE 15 2HG2 ILE 15 -5.124 -5.338 -1.028 145 HG23 ILE 15 3HG2 ILE 15 -5.136 -6.334 -2.494 146 HD11 ILE 15 3HD1 ILE 15 -6.858 -9.239 0.074 147 HD12 ILE 15 1HD1 ILE 15 -7.327 -8.542 -1.498 148 HD13 ILE 15 2HD1 ILE 15 -6.845 -10.248 -1.396 149 H GLU 16 H GLU 16 -1.509 -5.521 -1.394 150 HA GLU 16 HA GLU 16 -1.448 -3.925 1.166 151 HB2 GLU 16 1HB GLU 16 0.672 -3.075 0.465 152 HB3 GLU 16 2HB GLU 16 0.589 -4.822 0.470 153 HG2 GLU 16 1HG GLU 16 0.365 -4.714 -2.149 154 HG3 GLU 16 2HG GLU 16 0.758 -2.997 -2.015 155 H ILE 17 H ILE 17 -2.596 -2.196 1.397 156 HA ILE 17 HA ILE 17 -3.328 -0.436 -1.033 157 HB ILE 17 HB ILE 17 -5.049 -0.655 1.498 158 HG12 ILE 17 1HG1 ILE 17 -6.704 -1.884 -0.270 159 HG13 ILE 17 2HG1 ILE 17 -5.204 -2.402 -1.013 160 HG21 ILE 17 1HG2 ILE 17 -6.802 0.418 0.070 161 HG22 ILE 17 2HG2 ILE 17 -5.355 1.430 0.127 162 HG23 ILE 17 3HG2 ILE 17 -5.687 0.449 -1.320 163 HD11 ILE 17 3HD1 ILE 17 -6.011 -2.878 1.957 164 HD12 ILE 17 1HD1 ILE 17 -6.140 -4.074 0.648 165 HD13 ILE 17 2HD1 ILE 17 -4.545 -3.527 1.190 166 H ASP 18 H ASP 18 -1.965 1.318 -0.975 167 HA ASP 18 HA ASP 18 -1.476 2.767 1.629 168 HB2 ASP 18 1HB ASP 18 0.317 3.909 0.545 169 HB3 ASP 18 2HB ASP 18 0.488 2.184 0.360 170 H ILE 19 H ILE 19 -2.692 4.432 2.215 171 HA ILE 19 HA ILE 19 -3.633 6.414 0.072 172 HB ILE 19 HB ILE 19 -5.738 6.885 1.179 173 HG12 ILE 19 1HG1 ILE 19 -5.302 4.423 2.979 174 HG13 ILE 19 2HG1 ILE 19 -5.206 6.102 3.497 175 HG21 ILE 19 1HG2 ILE 19 -5.586 3.906 0.418 176 HG22 ILE 19 2HG2 ILE 19 -7.003 4.973 0.285 177 HG23 ILE 19 3HG2 ILE 19 -5.590 5.236 -0.754 178 HD11 ILE 19 3HD1 ILE 19 -7.615 6.509 2.986 179 HD12 ILE 19 1HD1 ILE 19 -7.794 4.805 2.484 180 HD13 ILE 19 2HD1 ILE 19 -7.375 5.197 4.163 181 H ARG 20 H ARG 20 -2.889 8.378 0.318 182 HA ARG 20 HA ARG 20 -1.775 9.324 3.001 183 HE ARG 20 HE ARG 20 2.760 9.225 1.616 184 HB2 ARG 20 1HB ARG 20 -1.475 10.361 0.115 185 HB3 ARG 20 2HB ARG 20 -1.088 11.375 1.486 186 HG2 ARG 20 1HG ARG 20 0.519 9.677 2.385 187 HG3 ARG 20 2HG ARG 20 0.246 8.642 0.987 188 HD2 ARG 20 1HD ARG 20 1.192 10.328 -0.571 189 HD3 ARG 20 2HD ARG 20 1.170 11.583 0.693 190 HH11 ARG 20 2HH1 ARG 20 3.091 12.165 -0.209 191 HH12 ARG 20 1HH1 ARG 20 4.798 12.406 0.420 192 HH21 ARG 20 2HH2 ARG 20 4.474 9.455 2.240 193 HH22 ARG 20 1HH2 ARG 20 5.586 10.892 1.841 194 H VAL 21 H VAL 21 -3.242 10.266 4.309 195 HA VAL 21 HA VAL 21 -5.290 12.272 3.161 196 HB VAL 21 HB VAL 21 -5.753 10.206 5.400 197 HG11 VAL 21 1HG1 VAL 21 -7.754 12.209 4.136 198 HG12 VAL 21 2HG1 VAL 21 -8.203 10.883 5.230 199 HG13 VAL 21 3HG1 VAL 21 -7.192 12.198 5.829 200 HG21 VAL 21 3HG2 VAL 21 -7.424 9.125 3.834 201 HG22 VAL 21 1HG2 VAL 21 -6.937 10.245 2.534 202 HG23 VAL 21 2HG2 VAL 21 -5.790 9.047 3.170 203 H SER 22 H SER 22 -5.732 14.145 4.364 204 HA SER 22 HA SER 22 -5.173 14.231 7.228 205 HG SER 22 HG SER 22 -4.374 16.985 5.398 206 HB2 SER 22 1HB SER 22 -3.595 16.001 7.555 207 HB3 SER 22 2HB SER 22 -2.836 14.864 6.456 208 H THR 23 H THR 23 -7.175 14.854 7.689 209 HA THR 23 HA THR 23 -8.159 17.572 7.050 210 HB THR 23 HB THR 23 -8.513 16.709 4.818 211 HG1 THR 23 HG1 THR 23 -10.546 17.509 6.458 212 HG21 THR 23 3HG2 THR 23 -10.375 14.546 5.983 213 HG22 THR 23 1HG2 THR 23 -10.174 14.951 4.251 214 HG23 THR 23 2HG2 THR 23 -8.816 14.274 5.172 215 H GLY 24 H GLY 24 -9.259 14.424 8.373 216 HA2 GLY 24 1HA GLY 24 -10.886 14.053 10.190 217 HA3 GLY 24 2HA GLY 24 -11.024 15.782 10.416 218 H LYS 25 H LYS 25 -12.191 13.090 8.494 219 HA LYS 25 HA LYS 25 -14.617 13.533 7.964 220 HB2 LYS 25 1HB LYS 25 -15.211 14.793 5.853 221 HB3 LYS 25 2HB LYS 25 -14.747 15.772 7.214 222 HG2 LYS 25 1HG LYS 25 -12.441 16.065 6.245 223 HG3 LYS 25 2HG LYS 25 -12.879 15.152 4.818 224 HD2 LYS 25 1HD LYS 25 -14.429 17.674 5.703 225 HD3 LYS 25 2HD LYS 25 -12.923 17.769 4.795 226 HE2 LYS 25 1HE LYS 25 -13.927 16.323 2.932 227 HE3 LYS 25 2HE LYS 25 -15.452 16.275 3.797 228 HZ1 LYS 25 3HZ LYS 25 -15.446 18.141 2.162 229 HZ2 LYS 25 1HZ LYS 25 -15.501 18.795 3.674 230 HZ3 LYS 25 2HZ LYS 25 -14.095 18.799 2.831 231 H GLU 26 H GLU 26 -12.178 13.308 5.360 232 HA GLU 26 HA GLU 26 -13.600 10.919 4.243 233 HB2 GLU 26 1HB GLU 26 -10.939 12.022 3.220 234 HB3 GLU 26 2HB GLU 26 -12.031 10.909 2.429 235 HG2 GLU 26 1HG GLU 26 -12.356 13.918 2.756 236 HG3 GLU 26 2HG GLU 26 -12.405 12.954 1.294 237 H LEU 27 H LEU 27 -10.946 11.219 6.403 238 HA LEU 27 HA LEU 27 -9.939 8.408 6.337 239 HG LEU 27 HG LEU 27 -8.055 9.381 9.555 240 HB2 LEU 27 1HB LEU 27 -8.682 10.217 7.470 241 HB3 LEU 27 2HB LEU 27 -9.991 10.518 8.582 242 HD11 LEU 27 1HD1 LEU 27 -9.117 7.864 11.037 243 HD12 LEU 27 2HD1 LEU 27 -10.332 9.084 10.614 244 HD13 LEU 27 3HD1 LEU 27 -10.404 7.462 9.889 245 HD21 LEU 27 3HD2 LEU 27 -7.497 6.992 9.147 246 HD22 LEU 27 1HD2 LEU 27 -8.732 6.899 7.869 247 HD23 LEU 27 2HD2 LEU 27 -7.316 7.955 7.665 248 H GLU 28 H GLU 28 -12.443 10.033 8.442 249 HA GLU 28 HA GLU 28 -13.455 7.680 9.627 250 HB2 GLU 28 1HB GLU 28 -15.032 10.239 8.912 251 HB3 GLU 28 2HB GLU 28 -15.480 9.048 10.111 252 HG2 GLU 28 1HG GLU 28 -14.520 10.608 11.528 253 HG3 GLU 28 2HG GLU 28 -13.109 9.609 11.260 254 H ARG 29 H ARG 29 -14.438 8.868 6.479 255 HA ARG 29 HA ARG 29 -16.329 6.581 5.895 256 HE ARG 29 HE ARG 29 -16.102 11.432 2.956 257 HB2 ARG 29 1HB ARG 29 -15.002 8.708 4.098 258 HB3 ARG 29 2HB ARG 29 -15.879 7.354 3.417 259 HG2 ARG 29 1HG ARG 29 -17.970 7.960 4.535 260 HG3 ARG 29 2HG ARG 29 -17.191 9.220 5.476 261 HD2 ARG 29 1HD ARG 29 -17.137 9.320 2.384 262 HD3 ARG 29 2HD ARG 29 -18.581 9.808 3.224 263 HH11 ARG 29 2HH1 ARG 29 -18.646 10.813 5.248 264 HH12 ARG 29 1HH1 ARG 29 -18.630 12.537 5.871 265 HH21 ARG 29 2HH2 ARG 29 -16.098 13.376 3.651 266 HH22 ARG 29 1HH2 ARG 29 -17.305 13.906 4.940 267 H ALA 30 H ALA 30 -12.917 7.259 4.822 268 HA ALA 30 HA ALA 30 -12.619 4.676 3.486 269 HB1 ALA 30 3HB ALA 30 -10.424 6.577 4.540 270 HB2 ALA 30 1HB ALA 30 -10.218 5.299 3.319 271 HB3 ALA 30 2HB ALA 30 -11.240 6.706 2.965 272 H LEU 31 H LEU 31 -11.536 5.565 6.809 273 HA LEU 31 HA LEU 31 -10.405 2.942 7.515 274 HG LEU 31 HG LEU 31 -11.078 2.839 10.481 275 HB2 LEU 31 1HB LEU 31 -9.977 5.124 8.724 276 HB3 LEU 31 2HB LEU 31 -11.626 5.134 9.281 277 HD11 LEU 31 1HD1 LEU 31 -8.938 2.230 9.356 278 HD12 LEU 31 2HD1 LEU 31 -8.191 3.778 9.835 279 HD13 LEU 31 3HD1 LEU 31 -8.596 2.570 11.060 280 HD21 LEU 31 3HD2 LEU 31 -11.341 5.013 11.699 281 HD22 LEU 31 1HD2 LEU 31 -10.072 4.009 12.424 282 HD23 LEU 31 2HD2 LEU 31 -9.626 5.398 11.401 283 H GLN 32 H GLN 32 -13.848 4.110 7.840 284 HA GLN 32 HA GLN 32 -14.751 1.575 9.063 285 HB2 GLN 32 1HB GLN 32 -15.849 3.981 9.091 286 HB3 GLN 32 2HB GLN 32 -16.576 3.537 7.568 287 HG2 GLN 32 1HG GLN 32 -16.846 1.954 10.241 288 HG3 GLN 32 2HG GLN 32 -17.938 3.207 9.702 289 HE21 GLN 32 1HE2 GLN 32 -17.501 -0.173 9.677 290 HE22 GLN 32 2HE2 GLN 32 -18.820 -0.433 8.415 291 H GLU 33 H GLU 33 -14.827 2.677 5.598 292 HA GLU 33 HA GLU 33 -15.789 0.026 4.664 293 HB2 GLU 33 1HB GLU 33 -16.167 2.044 3.338 294 HB3 GLU 33 2HB GLU 33 -14.450 2.193 3.014 295 HG2 GLU 33 1HG GLU 33 -15.601 1.185 1.072 296 HG3 GLU 33 2HG GLU 33 -14.494 0.003 1.736 297 H LEU 34 H LEU 34 -12.433 1.220 5.223 298 HA LEU 34 HA LEU 34 -11.186 -1.313 4.333 299 HG LEU 34 HG LEU 34 -10.468 1.323 3.562 300 HB2 LEU 34 1HB LEU 34 -10.191 0.920 6.163 301 HB3 LEU 34 2HB LEU 34 -9.184 -0.441 5.737 302 HD11 LEU 34 1HD1 LEU 34 -9.098 2.792 5.044 303 HD12 LEU 34 2HD1 LEU 34 -7.678 1.757 4.800 304 HD13 LEU 34 3HD1 LEU 34 -8.388 2.629 3.429 305 HD21 LEU 34 3HD2 LEU 34 -9.603 -0.871 2.721 306 HD22 LEU 34 1HD2 LEU 34 -8.602 0.458 2.124 307 HD23 LEU 34 2HD2 LEU 34 -8.014 -0.562 3.459 308 H GLU 35 H GLU 35 -12.215 -0.337 7.622 309 HA GLU 35 HA GLU 35 -11.904 -2.808 9.123 310 HB2 GLU 35 1HB GLU 35 -12.674 -0.660 10.019 311 HB3 GLU 35 2HB GLU 35 -14.087 -0.669 9.012 312 HG2 GLU 35 1HG GLU 35 -14.768 -2.913 10.318 313 HG3 GLU 35 2HG GLU 35 -13.576 -2.361 11.495 314 H LYS 36 H LYS 36 -14.765 -1.864 7.204 315 HA LYS 36 HA LYS 36 -16.105 -4.433 7.008 316 HB2 LYS 36 1HB LYS 36 -16.965 -2.067 6.574 317 HB3 LYS 36 2HB LYS 36 -16.039 -2.053 5.079 318 HG2 LYS 36 1HG LYS 36 -17.452 -3.851 4.119 319 HG3 LYS 36 2HG LYS 36 -18.388 -3.981 5.619 320 HD2 LYS 36 1HD LYS 36 -19.221 -1.651 5.410 321 HD3 LYS 36 2HD LYS 36 -18.018 -1.276 4.200 322 HE2 LYS 36 1HE LYS 36 -19.271 -3.149 2.714 323 HE3 LYS 36 2HE LYS 36 -20.617 -2.899 3.834 324 HZ1 LYS 36 3HZ LYS 36 -20.641 -1.235 1.886 325 HZ2 LYS 36 1HZ LYS 36 -20.450 -0.429 3.316 326 HZ3 LYS 36 2HZ LYS 36 -19.138 -0.679 2.357 327 H ALA 37 H ALA 37 -13.732 -3.060 4.608 328 HA ALA 37 HA ALA 37 -13.603 -5.337 2.850 329 HB1 ALA 37 3HB ALA 37 -11.449 -4.378 2.091 330 HB2 ALA 37 1HB ALA 37 -12.602 -3.061 2.393 331 HB3 ALA 37 2HB ALA 37 -11.314 -3.416 3.575 332 H LEU 38 H LEU 38 -11.832 -5.002 5.932 333 HA LEU 38 HA LEU 38 -10.366 -7.557 5.690 334 HG LEU 38 HG LEU 38 -10.417 -8.302 8.759 335 HB2 LEU 38 1HB LEU 38 -9.810 -5.675 7.287 336 HB3 LEU 38 2HB LEU 38 -11.283 -6.002 8.176 337 HD11 LEU 38 1HD1 LEU 38 -7.767 -7.357 7.445 338 HD12 LEU 38 2HD1 LEU 38 -7.984 -8.831 8.422 339 HD13 LEU 38 3HD1 LEU 38 -8.795 -8.693 6.861 340 HD21 LEU 38 3HD2 LEU 38 -10.105 -6.387 10.329 341 HD22 LEU 38 1HD2 LEU 38 -8.699 -7.462 10.408 342 HD23 LEU 38 2HD2 LEU 38 -8.585 -5.927 9.521 343 H ALA 39 H ALA 39 -13.628 -6.833 7.010 344 HA ALA 39 HA ALA 39 -14.370 -9.684 7.453 345 HB1 ALA 39 3HB ALA 39 -16.142 -7.178 7.092 346 HB2 ALA 39 1HB ALA 39 -16.697 -8.767 7.662 347 HB3 ALA 39 2HB ALA 39 -15.541 -7.838 8.633 348 H ARG 40 H ARG 40 -14.864 -7.542 4.595 349 HA ARG 40 HA ARG 40 -16.046 -9.573 2.823 350 HE ARG 40 HE ARG 40 -16.286 -3.599 1.541 351 HB2 ARG 40 1HB ARG 40 -14.049 -7.401 1.981 352 HB3 ARG 40 2HB ARG 40 -15.076 -8.313 0.905 353 HG2 ARG 40 1HG ARG 40 -17.137 -7.168 1.769 354 HG3 ARG 40 2HG ARG 40 -16.180 -6.284 2.946 355 HD2 ARG 40 1HD ARG 40 -14.744 -5.364 0.967 356 HD3 ARG 40 2HD ARG 40 -15.851 -6.105 -0.136 357 HH11 ARG 40 2HH1 ARG 40 -17.884 -5.865 -0.579 358 HH12 ARG 40 1HH1 ARG 40 -18.941 -4.524 -1.245 359 HH21 ARG 40 2HH2 ARG 40 -17.448 -2.227 0.859 360 HH22 ARG 40 1HH2 ARG 40 -18.693 -2.541 -0.476 361 H ALA 41 H ALA 41 -12.592 -8.882 3.359 362 HA ALA 41 HA ALA 41 -11.637 -11.007 1.522 363 HB1 ALA 41 3HB ALA 41 -10.118 -9.319 3.627 364 HB2 ALA 41 1HB ALA 41 -9.376 -10.246 2.305 365 HB3 ALA 41 2HB ALA 41 -10.408 -8.853 1.934 366 H GLY 42 H GLY 42 -11.648 -10.906 5.142 367 HA2 GLY 42 1HA GLY 42 -11.299 -12.759 6.702 368 HA3 GLY 42 2HA GLY 42 -11.292 -13.886 5.365 369 H ALA 43 H ALA 43 -9.281 -11.599 7.150 370 HA ALA 43 HA ALA 43 -6.814 -13.263 6.367 371 HB1 ALA 43 3HB ALA 43 -5.494 -11.225 6.175 372 HB2 ALA 43 1HB ALA 43 -6.970 -10.995 5.211 373 HB3 ALA 43 2HB ALA 43 -6.815 -10.210 6.796 374 H ARG 44 H ARG 44 -5.841 -14.172 7.983 375 HA ARG 44 HA ARG 44 -6.168 -13.313 10.824 376 HE ARG 44 HE ARG 44 -1.649 -17.784 9.643 377 HB2 ARG 44 1HB ARG 44 -4.889 -15.184 11.493 378 HB3 ARG 44 2HB ARG 44 -6.042 -15.692 10.283 379 HG2 ARG 44 1HG ARG 44 -4.123 -15.676 8.538 380 HG3 ARG 44 2HG ARG 44 -3.010 -15.253 9.831 381 HD2 ARG 44 1HD ARG 44 -3.587 -17.383 11.065 382 HD3 ARG 44 2HD ARG 44 -4.689 -17.863 9.791 383 HH11 ARG 44 2HH1 ARG 44 -4.542 -18.107 7.737 384 HH12 ARG 44 1HH1 ARG 44 -3.598 -18.731 6.268 385 HH21 ARG 44 2HH2 ARG 44 -0.628 -18.597 8.022 386 HH22 ARG 44 1HH2 ARG 44 -1.519 -19.019 6.461 387 H ASN 45 H ASN 45 -3.442 -12.964 8.510 388 HA ASN 45 HA ASN 45 -1.838 -11.462 10.650 389 HB2 ASN 45 1HB ASN 45 -1.051 -12.555 7.871 390 HB3 ASN 45 2HB ASN 45 -0.011 -11.526 8.838 391 HD21 ASN 45 1HD2 ASN 45 1.384 -13.413 8.403 392 HD22 ASN 45 2HD2 ASN 45 1.317 -14.748 9.680 393 H VAL 46 H VAL 46 -2.379 -9.321 10.721 394 HA VAL 46 HA VAL 46 -2.694 -7.792 8.063 395 HB VAL 46 HB VAL 46 -4.111 -6.941 10.609 396 HG11 VAL 46 1HG1 VAL 46 -4.784 -6.369 7.643 397 HG12 VAL 46 2HG1 VAL 46 -5.568 -5.654 9.073 398 HG13 VAL 46 3HG1 VAL 46 -3.884 -5.263 8.693 399 HG21 VAL 46 3HG2 VAL 46 -6.250 -7.943 9.806 400 HG22 VAL 46 1HG2 VAL 46 -5.394 -8.747 8.458 401 HG23 VAL 46 2HG2 VAL 46 -5.066 -9.208 10.141 402 H GLN 47 H GLN 47 -0.859 -6.787 7.749 403 HA GLN 47 HA GLN 47 0.756 -5.429 9.984 404 HB2 GLN 47 1HB GLN 47 1.365 -6.489 7.217 405 HB3 GLN 47 2HB GLN 47 2.140 -4.981 7.584 406 HG2 GLN 47 1HG GLN 47 2.359 -7.418 9.447 407 HG3 GLN 47 2HG GLN 47 3.419 -7.156 8.084 408 HE21 GLN 47 1HE2 GLN 47 4.423 -7.403 10.559 409 HE22 GLN 47 2HE2 GLN 47 5.167 -5.782 11.024 410 H ILE 48 H ILE 48 -0.343 -3.597 10.522 411 HA ILE 48 HA ILE 48 -1.303 -1.684 8.315 412 HB ILE 48 HB ILE 48 -1.975 -1.753 11.304 413 HG12 ILE 48 1HG1 ILE 48 -3.853 -2.343 8.926 414 HG13 ILE 48 2HG1 ILE 48 -2.989 -3.599 9.792 415 HG21 ILE 48 1HG2 ILE 48 -3.018 0.139 9.073 416 HG22 ILE 48 2HG2 ILE 48 -3.702 0.046 10.716 417 HG23 ILE 48 3HG2 ILE 48 -2.043 0.602 10.480 418 HD11 ILE 48 3HD1 ILE 48 -5.246 -3.502 10.679 419 HD12 ILE 48 1HD1 ILE 48 -4.129 -2.973 11.957 420 HD13 ILE 48 2HD1 ILE 48 -5.107 -1.774 11.060 421 H THR 49 H THR 49 0.284 -0.342 7.711 422 HA THR 49 HA THR 49 2.103 0.928 9.841 423 HB THR 49 HB THR 49 2.563 1.034 6.809 424 HG1 THR 49 HG1 THR 49 2.624 -1.057 7.900 425 HG21 THR 49 3HG2 THR 49 3.766 2.836 8.125 426 HG22 THR 49 1HG2 THR 49 4.481 1.600 9.180 427 HG23 THR 49 2HG2 THR 49 4.909 1.668 7.454 428 H ILE 50 H ILE 50 1.309 2.848 10.509 429 HA ILE 50 HA ILE 50 0.286 4.780 8.335 430 HB ILE 50 HB ILE 50 -0.092 5.476 11.249 431 HG12 ILE 50 1HG1 ILE 50 -1.242 3.392 11.248 432 HG13 ILE 50 2HG1 ILE 50 -2.362 4.738 11.326 433 HG21 ILE 50 1HG2 ILE 50 -0.340 7.279 9.564 434 HG22 ILE 50 2HG2 ILE 50 -1.506 6.315 8.639 435 HG23 ILE 50 3HG2 ILE 50 -1.931 6.908 10.253 436 HD11 ILE 50 3HD1 ILE 50 -3.287 2.938 9.877 437 HD12 ILE 50 1HD1 ILE 50 -2.973 4.382 8.900 438 HD13 ILE 50 2HD1 ILE 50 -1.863 2.995 8.813 439 H SER 51 H SER 51 2.060 5.780 7.562 440 HA SER 51 HA SER 51 4.250 6.757 9.474 441 HG SER 51 HG SER 51 6.455 7.449 6.949 442 HB2 SER 51 1HB SER 51 4.897 5.718 7.253 443 HB3 SER 51 2HB SER 51 4.291 7.182 6.460 444 H ALA 52 H ALA 52 3.542 8.401 10.640 445 HA ALA 52 HA ALA 52 1.574 10.415 9.558 446 HB1 ALA 52 3HB ALA 52 2.724 9.948 12.409 447 HB2 ALA 52 1HB ALA 52 1.315 10.945 12.000 448 HB3 ALA 52 2HB ALA 52 1.254 9.196 11.753 449 H GLU 53 H GLU 53 1.732 12.696 10.284 450 HA GLU 53 HA GLU 53 4.240 14.032 9.359 451 HB2 GLU 53 1HB GLU 53 1.741 15.212 10.715 452 HB3 GLU 53 2HB GLU 53 3.059 16.165 10.078 453 HG2 GLU 53 1HG GLU 53 2.579 15.528 7.756 454 HG3 GLU 53 2HG GLU 53 1.452 14.274 8.263 455 H ASN 54 H ASN 54 2.722 13.533 12.538 456 HA ASN 54 HA ASN 54 5.264 14.557 13.934 457 HB2 ASN 54 1HB ASN 54 2.361 15.294 14.754 458 HB3 ASN 54 2HB ASN 54 3.807 15.717 15.638 459 HD21 ASN 54 1HD2 ASN 54 1.828 16.621 12.972 460 HD22 ASN 54 2HD2 ASN 54 2.812 18.124 12.578 461 H ASP 55 H ASP 55 5.653 13.733 16.002 462 HA ASP 55 HA ASP 55 4.718 11.078 16.820 463 HB2 ASP 55 1HB ASP 55 6.044 11.510 18.836 464 HB3 ASP 55 2HB ASP 55 6.939 11.901 17.391 465 H GLU 56 H GLU 56 3.574 14.335 17.793 466 HA GLU 56 HA GLU 56 1.486 13.529 19.636 467 HB2 GLU 56 1HB GLU 56 1.390 15.839 17.601 468 HB3 GLU 56 2HB GLU 56 0.283 15.625 18.943 469 HG2 GLU 56 1HG GLU 56 2.222 15.897 20.594 470 HG3 GLU 56 2HG GLU 56 3.310 16.191 19.241 471 H GLN 57 H GLN 57 1.284 13.497 16.068 472 HA GLN 57 HA GLN 57 -1.541 12.502 15.909 473 HB2 GLN 57 1HB GLN 57 0.785 12.384 13.875 474 HB3 GLN 57 2HB GLN 57 -0.780 11.679 13.552 475 HG2 GLN 57 1HG GLN 57 -1.905 13.901 13.771 476 HG3 GLN 57 2HG GLN 57 -0.347 14.670 14.082 477 HE21 GLN 57 1HE2 GLN 57 -1.730 15.644 12.089 478 HE22 GLN 57 2HE2 GLN 57 -0.900 15.228 10.490 479 H ALA 58 H ALA 58 1.618 10.834 16.106 480 HA ALA 58 HA ALA 58 0.729 8.147 15.540 481 HB1 ALA 58 3HB ALA 58 3.015 9.083 17.396 482 HB2 ALA 58 1HB ALA 58 2.847 7.460 16.698 483 HB3 ALA 58 2HB ALA 58 3.119 8.851 15.631 484 H LYS 59 H LYS 59 0.377 9.882 18.632 485 HA LYS 59 HA LYS 59 -0.332 7.542 20.296 486 HB2 LYS 59 1HB LYS 59 0.402 9.764 21.233 487 HB3 LYS 59 2HB LYS 59 -1.102 10.491 20.685 488 HG2 LYS 59 1HG LYS 59 -2.366 8.730 22.142 489 HG3 LYS 59 2HG LYS 59 -0.818 8.210 22.775 490 HD2 LYS 59 1HD LYS 59 -0.431 10.472 23.779 491 HD3 LYS 59 2HD LYS 59 -1.865 11.117 22.966 492 HE2 LYS 59 1HE LYS 59 -3.350 9.448 24.211 493 HE3 LYS 59 2HE LYS 59 -1.952 8.792 25.039 494 HZ1 LYS 59 3HZ LYS 59 -2.890 11.662 25.210 495 HZ2 LYS 59 1HZ LYS 59 -3.021 10.554 26.420 496 HZ3 LYS 59 2HZ LYS 59 -1.537 11.115 25.962 497 H GLU 60 H GLU 60 -2.641 9.952 18.820 498 HA GLU 60 HA GLU 60 -4.969 8.214 19.411 499 HB2 GLU 60 1HB GLU 60 -4.759 10.664 17.571 500 HB3 GLU 60 2HB GLU 60 -6.217 9.701 17.703 501 HG2 GLU 60 1HG GLU 60 -6.211 10.066 20.260 502 HG3 GLU 60 2HG GLU 60 -4.901 11.225 20.034 503 H LEU 61 H LEU 61 -2.956 8.386 16.487 504 HA LEU 61 HA LEU 61 -4.450 6.370 14.928 505 HG LEU 61 HG LEU 61 -3.047 8.893 14.053 506 HB2 LEU 61 1HB LEU 61 -1.460 7.059 14.990 507 HB3 LEU 61 2HB LEU 61 -2.151 5.948 13.831 508 HD11 LEU 61 1HD1 LEU 61 -0.659 8.836 13.486 509 HD12 LEU 61 2HD1 LEU 61 -0.919 7.622 12.220 510 HD13 LEU 61 3HD1 LEU 61 -1.578 9.271 12.037 511 HD21 LEU 61 3HD2 LEU 61 -4.761 7.484 12.918 512 HD22 LEU 61 1HD2 LEU 61 -3.950 8.502 11.720 513 HD23 LEU 61 2HD2 LEU 61 -3.539 6.775 11.846 514 H LEU 62 H LEU 62 -1.784 5.858 17.310 515 HA LEU 62 HA LEU 62 -1.847 2.944 17.346 516 HG LEU 62 HG LEU 62 -1.458 2.872 20.671 517 HB2 LEU 62 1HB LEU 62 -0.028 4.265 18.316 518 HB3 LEU 62 2HB LEU 62 -1.105 5.034 19.457 519 HD11 LEU 62 1HD1 LEU 62 -1.101 1.179 18.917 520 HD12 LEU 62 2HD1 LEU 62 0.559 1.749 18.623 521 HD13 LEU 62 3HD1 LEU 62 0.141 0.929 20.153 522 HD21 LEU 62 3HD2 LEU 62 0.312 4.465 21.400 523 HD22 LEU 62 1HD2 LEU 62 0.814 2.792 21.701 524 HD23 LEU 62 2HD2 LEU 62 1.502 3.690 20.324 525 H GLU 63 H GLU 63 -3.634 5.154 19.537 526 HA GLU 63 HA GLU 63 -5.187 3.013 20.831 527 HB2 GLU 63 1HB GLU 63 -5.641 6.055 20.711 528 HB3 GLU 63 2HB GLU 63 -6.601 4.969 21.696 529 HG2 GLU 63 1HG GLU 63 -4.610 4.271 23.038 530 HG3 GLU 63 2HG GLU 63 -3.538 5.220 22.016 531 H LEU 64 H LEU 64 -6.154 5.170 18.104 532 HA LEU 64 HA LEU 64 -8.822 4.056 17.730 533 HG LEU 64 HG LEU 64 -8.873 4.444 14.485 534 HB2 LEU 64 1HB LEU 64 -8.000 6.231 16.835 535 HB3 LEU 64 2HB LEU 64 -6.922 5.386 15.747 536 HD11 LEU 64 1HD1 LEU 64 -10.637 6.183 16.348 537 HD12 LEU 64 2HD1 LEU 64 -11.186 5.342 14.877 538 HD13 LEU 64 3HD1 LEU 64 -10.642 4.399 16.273 539 HD21 LEU 64 3HD2 LEU 64 -7.827 6.594 13.762 540 HD22 LEU 64 1HD2 LEU 64 -9.574 6.652 13.460 541 HD23 LEU 64 2HD2 LEU 64 -8.890 7.520 14.850 542 H ILE 65 H ILE 65 -5.774 2.985 16.076 543 HA ILE 65 HA ILE 65 -7.125 0.856 14.522 544 HB ILE 65 HB ILE 65 -4.188 0.999 15.316 545 HG12 ILE 65 1HG1 ILE 65 -5.303 1.738 12.537 546 HG13 ILE 65 2HG1 ILE 65 -5.149 2.937 13.800 547 HG21 ILE 65 1HG2 ILE 65 -4.786 -1.351 14.572 548 HG22 ILE 65 2HG2 ILE 65 -5.536 -0.707 13.096 549 HG23 ILE 65 3HG2 ILE 65 -3.780 -0.595 13.344 550 HD11 ILE 65 3HD1 ILE 65 -2.755 1.309 12.708 551 HD12 ILE 65 1HD1 ILE 65 -3.152 3.017 12.431 552 HD13 ILE 65 2HD1 ILE 65 -2.678 2.479 14.046 553 H ALA 66 H ALA 66 -5.268 0.616 17.659 554 HA ALA 66 HA ALA 66 -5.795 -2.230 18.076 555 HB1 ALA 66 3HB ALA 66 -4.032 -0.951 19.306 556 HB2 ALA 66 1HB ALA 66 -5.268 0.013 20.150 557 HB3 ALA 66 2HB ALA 66 -5.134 -1.737 20.456 558 H ARG 67 H ARG 67 -7.743 0.574 19.256 559 HA ARG 67 HA ARG 67 -10.061 -0.865 20.311 560 HE ARG 67 HE ARG 67 -14.035 2.641 19.995 561 HB2 ARG 67 1HB ARG 67 -9.620 1.582 20.543 562 HB3 ARG 67 2HB ARG 67 -9.750 1.805 18.810 563 HG2 ARG 67 1HG ARG 67 -12.235 1.093 18.969 564 HG3 ARG 67 2HG ARG 67 -12.061 1.085 20.728 565 HD2 ARG 67 1HD ARG 67 -11.389 3.527 20.684 566 HD3 ARG 67 2HD ARG 67 -11.405 3.506 18.908 567 HH11 ARG 67 2HH1 ARG 67 -12.153 5.509 19.376 568 HH12 ARG 67 1HH1 ARG 67 -13.649 6.547 19.210 569 HH21 ARG 67 2HH2 ARG 67 -15.713 3.859 19.812 570 HH22 ARG 67 1HH2 ARG 67 -15.553 5.637 19.454 571 H LEU 68 H LEU 68 -9.544 0.197 16.888 572 HA LEU 68 HA LEU 68 -11.942 -0.962 15.738 573 HG LEU 68 HG LEU 68 -11.142 -1.625 13.009 574 HB2 LEU 68 1HB LEU 68 -10.274 0.761 14.747 575 HB3 LEU 68 2HB LEU 68 -9.160 -0.547 14.482 576 HD11 LEU 68 1HD1 LEU 68 -11.984 1.365 13.081 577 HD12 LEU 68 2HD1 LEU 68 -12.647 0.128 12.011 578 HD13 LEU 68 3HD1 LEU 68 -12.934 0.007 13.743 579 HD21 LEU 68 3HD2 LEU 68 -10.362 -0.346 11.011 580 HD22 LEU 68 1HD2 LEU 68 -9.655 0.905 12.060 581 HD23 LEU 68 2HD2 LEU 68 -8.981 -0.739 12.053 582 H LEU 69 H LEU 69 -8.671 -2.458 15.795 583 HA LEU 69 HA LEU 69 -9.681 -5.052 14.731 584 HG LEU 69 HG LEU 69 -6.131 -4.650 13.534 585 HB2 LEU 69 1HB LEU 69 -6.952 -4.092 15.741 586 HB3 LEU 69 2HB LEU 69 -7.223 -5.765 15.379 587 HD11 LEU 69 1HD1 LEU 69 -8.967 -5.455 12.606 588 HD12 LEU 69 2HD1 LEU 69 -7.451 -5.525 11.674 589 HD13 LEU 69 3HD1 LEU 69 -7.698 -6.611 13.045 590 HD21 LEU 69 3HD2 LEU 69 -8.627 -2.961 13.020 591 HD22 LEU 69 1HD2 LEU 69 -7.072 -2.365 13.669 592 HD23 LEU 69 2HD2 LEU 69 -7.160 -3.041 12.024 593 H GLN 70 H GLN 70 -8.988 -4.044 18.103 594 HA GLN 70 HA GLN 70 -9.691 -6.618 19.351 595 HB2 GLN 70 1HB GLN 70 -8.552 -4.654 20.449 596 HB3 GLN 70 2HB GLN 70 -10.045 -3.725 20.350 597 HG2 GLN 70 1HG GLN 70 -11.158 -5.467 21.878 598 HG3 GLN 70 2HG GLN 70 -9.638 -6.343 21.959 599 HE21 GLN 70 1HE2 GLN 70 -7.967 -5.419 23.301 600 HE22 GLN 70 2HE2 GLN 70 -8.351 -3.976 24.383 601 H LYS 71 H LYS 71 -11.825 -3.912 18.269 602 HA LYS 71 HA LYS 71 -14.381 -5.171 18.994 603 HB2 LYS 71 1HB LYS 71 -14.032 -2.738 18.277 604 HB3 LYS 71 2HB LYS 71 -13.790 -3.294 16.636 605 HG2 LYS 71 1HG LYS 71 -16.233 -4.372 16.846 606 HG3 LYS 71 2HG LYS 71 -16.354 -3.481 18.343 607 HD2 LYS 71 1HD LYS 71 -17.459 -2.181 16.669 608 HD3 LYS 71 2HD LYS 71 -15.984 -1.302 17.061 609 HE2 LYS 71 1HE LYS 71 -14.874 -2.191 14.950 610 HE3 LYS 71 2HE LYS 71 -16.275 -3.193 14.595 611 HZ1 LYS 71 3HZ LYS 71 -16.051 -0.845 13.477 612 HZ2 LYS 71 1HZ LYS 71 -17.563 -1.251 14.035 613 HZ3 LYS 71 2HZ LYS 71 -16.601 -0.211 14.896 614 H LEU 72 H LEU 72 -12.557 -5.481 15.895 615 HA LEU 72 HA LEU 72 -14.473 -7.442 14.732 616 HG LEU 72 HG LEU 72 -12.596 -5.968 11.803 617 HB2 LEU 72 1HB LEU 72 -11.683 -6.466 13.947 618 HB3 LEU 72 2HB LEU 72 -12.252 -7.937 13.237 619 HD11 LEU 72 1HD1 LEU 72 -13.992 -8.028 11.475 620 HD12 LEU 72 2HD1 LEU 72 -15.266 -7.345 12.514 621 HD13 LEU 72 3HD1 LEU 72 -14.843 -6.555 10.978 622 HD21 LEU 72 3HD2 LEU 72 -13.224 -4.211 13.446 623 HD22 LEU 72 1HD2 LEU 72 -14.484 -4.370 12.201 624 HD23 LEU 72 2HD2 LEU 72 -14.751 -5.055 13.812 625 H GLY 73 H GLY 73 -11.377 -7.959 16.409 626 HA2 GLY 73 1HA GLY 73 -11.702 -9.855 18.116 627 HA3 GLY 73 2HA GLY 73 -12.127 -10.935 16.796 628 H TYR 74 H TYR 74 -9.456 -8.651 17.401 629 HA TYR 74 HA TYR 74 -7.421 -10.860 16.727 630 HD1 TYR 74 HD1 TYR 74 -9.502 -8.340 14.616 631 HD2 TYR 74 HD2 TYR 74 -5.658 -10.141 13.942 632 HE1 TYR 74 HE1 TYR 74 -10.195 -8.996 12.345 633 HE2 TYR 74 HE2 TYR 74 -6.356 -10.762 11.671 634 HH TYR 74 HH TYR 74 -8.038 -10.790 10.153 635 HB2 TYR 74 1HB TYR 74 -7.393 -7.846 16.132 636 HB3 TYR 74 2HB TYR 74 -6.019 -8.896 15.956 637 H LYS 75 H LYS 75 -6.804 -11.550 18.702 638 HA LYS 75 HA LYS 75 -6.230 -9.720 20.985 639 HB2 LYS 75 1HB LYS 75 -5.723 -11.636 22.294 640 HB3 LYS 75 2HB LYS 75 -7.160 -11.966 21.357 641 HG2 LYS 75 1HG LYS 75 -5.632 -13.338 19.706 642 HG3 LYS 75 2HG LYS 75 -4.303 -13.021 20.782 643 HD2 LYS 75 1HD LYS 75 -4.970 -15.178 21.332 644 HD3 LYS 75 2HD LYS 75 -5.525 -14.195 22.683 645 HE2 LYS 75 1HE LYS 75 -7.903 -14.212 21.694 646 HE3 LYS 75 2HE LYS 75 -7.311 -15.136 20.310 647 HZ1 LYS 75 3HZ LYS 75 -7.196 -16.091 23.178 648 HZ2 LYS 75 1HZ LYS 75 -8.211 -16.685 22.022 649 HZ3 LYS 75 2HZ LYS 75 -6.589 -16.926 21.907 650 H ASP 76 H ASP 76 -4.066 -11.206 18.574 651 HA ASP 76 HA ASP 76 -1.648 -10.718 20.312 652 HB2 ASP 76 1HB ASP 76 -1.898 -11.916 17.514 653 HB3 ASP 76 2HB ASP 76 -0.447 -11.933 18.507 654 H ILE 77 H ILE 77 -1.997 -8.427 20.287 655 HA ILE 77 HA ILE 77 -1.556 -6.857 17.756 656 HB ILE 77 HB ILE 77 -2.238 -5.940 20.595 657 HG12 ILE 77 1HG1 ILE 77 -4.218 -6.076 18.220 658 HG13 ILE 77 2HG1 ILE 77 -4.029 -7.411 19.318 659 HG21 ILE 77 1HG2 ILE 77 -2.926 -3.747 19.582 660 HG22 ILE 77 2HG2 ILE 77 -1.221 -4.055 19.254 661 HG23 ILE 77 3HG2 ILE 77 -2.429 -4.307 17.973 662 HD11 ILE 77 3HD1 ILE 77 -5.955 -6.068 20.020 663 HD12 ILE 77 1HD1 ILE 77 -4.708 -6.000 21.285 664 HD13 ILE 77 2HD1 ILE 77 -4.963 -4.607 20.200 665 H ASN 78 H ASN 78 0.561 -6.904 17.165 666 HA ASN 78 HA ASN 78 2.742 -6.223 19.233 667 HB2 ASN 78 1HB ASN 78 2.936 -7.782 16.590 668 HB3 ASN 78 2HB ASN 78 4.295 -7.397 17.615 669 HD21 ASN 78 1HD2 ASN 78 3.728 -8.124 20.102 670 HD22 ASN 78 2HD2 ASN 78 3.210 -9.888 20.119 671 H VAL 79 H VAL 79 3.113 -4.071 19.134 672 HA VAL 79 HA VAL 79 3.264 -2.693 16.487 673 HB VAL 79 HB VAL 79 1.737 -1.885 18.202 674 HG11 VAL 79 1HG1 VAL 79 2.484 -0.489 20.138 675 HG12 VAL 79 2HG1 VAL 79 3.013 -2.169 20.344 676 HG13 VAL 79 3HG1 VAL 79 4.182 -0.930 19.838 677 HG21 VAL 79 3HG2 VAL 79 2.147 0.505 17.835 678 HG22 VAL 79 1HG2 VAL 79 3.863 0.223 17.491 679 HG23 VAL 79 2HG2 VAL 79 2.622 -0.382 16.373 680 H ARG 80 H ARG 80 4.915 -1.825 15.568 681 HA ARG 80 HA ARG 80 7.411 -1.053 17.201 682 HE ARG 80 HE ARG 80 10.608 -1.089 14.405 683 HB2 ARG 80 1HB ARG 80 7.190 -1.591 14.180 684 HB3 ARG 80 2HB ARG 80 8.433 -0.559 14.852 685 HG2 ARG 80 1HG ARG 80 9.253 -2.435 16.356 686 HG3 ARG 80 2HG ARG 80 8.018 -3.484 15.690 687 HD2 ARG 80 1HD ARG 80 10.120 -4.007 14.628 688 HD3 ARG 80 2HD ARG 80 9.044 -3.322 13.401 689 HH11 ARG 80 2HH1 ARG 80 11.305 -4.074 12.778 690 HH12 ARG 80 1HH1 ARG 80 12.739 -3.350 11.900 691 HH21 ARG 80 2HH2 ARG 80 12.191 -0.253 13.323 692 HH22 ARG 80 1HH2 ARG 80 13.216 -1.306 12.248 693 H VAL 81 H VAL 81 7.042 0.928 17.932 694 HA VAL 81 HA VAL 81 5.785 3.098 16.201 695 HB VAL 81 HB VAL 81 6.939 3.339 19.024 696 HG11 VAL 81 1HG1 VAL 81 7.064 5.543 17.800 697 HG12 VAL 81 2HG1 VAL 81 5.344 5.426 17.369 698 HG13 VAL 81 3HG1 VAL 81 5.838 5.601 19.071 699 HG21 VAL 81 3HG2 VAL 81 4.773 2.020 19.006 700 HG22 VAL 81 1HG2 VAL 81 4.555 3.597 19.776 701 HG23 VAL 81 2HG2 VAL 81 3.970 3.331 18.113 702 H ASN 82 H ASN 82 7.144 3.391 14.524 703 HA ASN 82 HA ASN 82 10.201 3.456 15.018 704 HB2 ASN 82 1HB ASN 82 9.168 1.417 13.867 705 HB3 ASN 82 2HB ASN 82 8.758 2.415 12.503 706 HD21 ASN 82 1HD2 ASN 82 10.322 2.524 10.926 707 HD22 ASN 82 2HD2 ASN 82 12.105 2.170 11.255 708 H GLY 83 H GLY 83 10.114 5.684 15.402 709 HA2 GLY 83 1HA GLY 83 10.709 7.947 14.649 710 HA3 GLY 83 2HA GLY 83 10.434 7.507 12.977 711 H THR 84 H THR 84 8.498 7.939 12.096 712 HA THR 84 HA THR 84 6.130 8.699 13.893 713 HB THR 84 HB THR 84 5.138 10.123 12.319 714 HG1 THR 84 HG1 THR 84 5.796 10.477 10.349 715 HG21 THR 84 3HG2 THR 84 6.669 12.056 12.139 716 HG22 THR 84 1HG2 THR 84 6.856 11.281 13.739 717 HG23 THR 84 2HG2 THR 84 8.076 11.018 12.471 718 H GLU 85 H GLU 85 7.197 6.103 12.242 719 HA GLU 85 HA GLU 85 4.692 5.109 10.990 720 HB2 GLU 85 1HB GLU 85 7.077 3.639 12.197 721 HB3 GLU 85 2HB GLU 85 5.705 2.791 11.528 722 HG2 GLU 85 1HG GLU 85 6.188 3.815 9.239 723 HG3 GLU 85 2HG GLU 85 7.647 4.548 9.917 724 H VAL 86 H VAL 86 2.900 4.713 12.101 725 HA VAL 86 HA VAL 86 3.099 3.088 14.731 726 HB VAL 86 HB VAL 86 0.655 4.307 13.321 727 HG11 VAL 86 1HG1 VAL 86 -0.097 2.135 14.243 728 HG12 VAL 86 2HG1 VAL 86 0.666 2.478 15.818 729 HG13 VAL 86 3HG1 VAL 86 -0.722 3.441 15.249 730 HG21 VAL 86 3HG2 VAL 86 0.387 5.587 15.475 731 HG22 VAL 86 1HG2 VAL 86 1.864 4.843 16.130 732 HG23 VAL 86 2HG2 VAL 86 1.959 5.938 14.733 733 H LYS 87 H LYS 87 4.206 1.380 13.792 734 HA LYS 87 HA LYS 87 2.859 -0.249 11.579 735 HB2 LYS 87 1HB LYS 87 5.135 0.158 11.138 736 HB3 LYS 87 2HB LYS 87 5.675 -0.227 12.752 737 HG2 LYS 87 1HG LYS 87 5.482 -2.558 12.496 738 HG3 LYS 87 2HG LYS 87 4.309 -2.491 11.217 739 HD2 LYS 87 1HD LYS 87 7.231 -1.528 10.777 740 HD3 LYS 87 2HD LYS 87 6.762 -3.209 10.676 741 HE2 LYS 87 1HE LYS 87 6.118 -2.986 8.518 742 HE3 LYS 87 2HE LYS 87 4.772 -2.057 9.051 743 HZ1 LYS 87 3HZ LYS 87 7.308 -0.998 7.899 744 HZ2 LYS 87 1HZ LYS 87 5.755 -0.454 7.714 745 HZ3 LYS 87 2HZ LYS 87 6.633 -0.019 9.021 746 H ILE 88 H ILE 88 1.054 -0.988 12.683 747 HA ILE 88 HA ILE 88 1.518 -2.859 15.080 748 HB ILE 88 HB ILE 88 -1.131 -1.796 14.000 749 HG12 ILE 88 1HG1 ILE 88 0.221 -0.962 16.654 750 HG13 ILE 88 2HG1 ILE 88 0.415 -0.042 15.179 751 HG21 ILE 88 1HG2 ILE 88 -0.578 -3.304 16.661 752 HG22 ILE 88 2HG2 ILE 88 -2.162 -2.758 16.057 753 HG23 ILE 88 3HG2 ILE 88 -1.297 -4.051 15.224 754 HD11 ILE 88 3HD1 ILE 88 -2.280 -0.517 16.602 755 HD12 ILE 88 1HD1 ILE 88 -1.367 0.996 16.467 756 HD13 ILE 88 2HD1 ILE 88 -2.084 0.277 15.014 757 H GLU 89 H GLU 89 1.913 -4.890 14.535 758 HA GLU 89 HA GLU 89 0.446 -6.215 12.208 759 HB2 GLU 89 1HB GLU 89 2.925 -6.640 12.463 760 HB3 GLU 89 2HB GLU 89 2.616 -7.460 13.981 761 HG2 GLU 89 1HG GLU 89 1.120 -9.144 12.761 762 HG3 GLU 89 2HG GLU 89 1.337 -8.272 11.258 763 H VAL 90 H VAL 90 -1.519 -6.871 12.760 764 HA VAL 90 HA VAL 90 -2.049 -7.962 15.576 765 HB VAL 90 HB VAL 90 -4.362 -7.737 15.337 766 HG11 VAL 90 1HG1 VAL 90 -3.227 -4.994 14.602 767 HG12 VAL 90 2HG1 VAL 90 -4.661 -5.355 15.587 768 HG13 VAL 90 3HG1 VAL 90 -3.041 -5.746 16.202 769 HG21 VAL 90 3HG2 VAL 90 -5.619 -6.802 13.584 770 HG22 VAL 90 1HG2 VAL 90 -4.201 -6.181 12.698 771 HG23 VAL 90 2HG2 VAL 90 -4.578 -7.926 12.740 772 H ARG 91 H ARG 91 -2.484 -10.017 15.914 773 HA ARG 91 HA ARG 91 -3.510 -11.764 13.617 774 HE ARG 91 HE ARG 91 2.071 -11.678 13.149 775 HB2 ARG 91 1HB ARG 91 -1.281 -12.422 15.604 776 HB3 ARG 91 2HB ARG 91 -2.155 -13.697 14.804 777 HG2 ARG 91 1HG ARG 91 -1.445 -13.002 12.602 778 HG3 ARG 91 2HG ARG 91 -0.822 -11.470 13.142 779 HD2 ARG 91 1HD ARG 91 0.471 -13.988 14.379 780 HD3 ARG 91 2HD ARG 91 0.740 -13.673 12.688 781 HH11 ARG 91 2HH1 ARG 91 0.605 -12.700 16.169 782 HH12 ARG 91 1HH1 ARG 91 1.619 -11.433 17.050 783 HH21 ARG 91 2HH2 ARG 91 3.087 -10.424 14.149 784 HH22 ARG 91 1HH2 ARG 91 2.926 -10.237 16.007 785 H VAL 92 H VAL 92 -4.697 -13.628 14.170 786 HA VAL 92 HA VAL 92 -6.791 -12.963 16.233 787 HB VAL 92 HB VAL 92 -6.704 -15.314 14.246 788 HG11 VAL 92 1HG1 VAL 92 -9.091 -14.239 15.910 789 HG12 VAL 92 2HG1 VAL 92 -9.191 -15.502 14.658 790 HG13 VAL 92 3HG1 VAL 92 -8.288 -15.808 16.145 791 HG21 VAL 92 3HG2 VAL 92 -6.882 -13.095 13.028 792 HG22 VAL 92 1HG2 VAL 92 -8.376 -14.030 12.883 793 HG23 VAL 92 2HG2 VAL 92 -8.291 -12.658 14.013 Start of MODEL 17 1 H HIS -1 H HIS -1 3.049 15.611 -1.089 2 HA HIS -1 HA HIS -1 2.754 13.232 -1.037 3 HD2 HIS -1 HD2 HIS -1 5.702 16.168 -2.235 4 HE1 HIS -1 HE1 HIS -1 4.833 13.685 -5.475 5 HE2 HIS -1 HE2 HIS -1 5.669 16.059 -4.905 6 HB2 HIS -1 1HB HIS -1 5.532 14.328 -0.279 7 HB3 HIS -1 2HB HIS -1 5.267 12.679 -0.790 8 H MET 0 H MET 0 4.498 14.181 1.968 9 HA MET 0 HA MET 0 3.489 11.589 3.273 10 HB2 MET 0 1HB MET 0 5.975 11.848 3.006 11 HB3 MET 0 2HB MET 0 5.940 13.318 3.977 12 HG2 MET 0 1HG MET 0 5.097 11.968 5.962 13 HG3 MET 0 2HG MET 0 5.122 10.497 4.971 14 HE1 MET 0 3HE MET 0 6.429 9.798 7.153 15 HE2 MET 0 1HE MET 0 8.145 10.179 7.477 16 HE3 MET 0 2HE MET 0 6.869 11.384 7.845 17 H LYS 1 H LYS 1 1.710 11.952 4.475 18 HA LYS 1 HA LYS 1 1.787 14.182 6.536 19 HB2 LYS 1 1HB LYS 1 -0.660 13.886 4.707 20 HB3 LYS 1 2HB LYS 1 -0.642 14.706 6.250 21 HG2 LYS 1 1HG LYS 1 -0.393 16.534 4.959 22 HG3 LYS 1 2HG LYS 1 1.298 16.223 5.287 23 HD2 LYS 1 1HD LYS 1 1.594 15.154 3.035 24 HD3 LYS 1 2HD LYS 1 -0.134 15.159 2.748 25 HE2 LYS 1 1HE LYS 1 -0.079 17.762 2.877 26 HE3 LYS 1 2HE LYS 1 1.686 17.662 2.995 27 HZ1 LYS 1 3HZ LYS 1 0.974 17.849 0.597 28 HZ2 LYS 1 1HZ LYS 1 1.662 16.363 0.823 29 HZ3 LYS 1 2HZ LYS 1 0.039 16.498 0.737 30 H VAL 2 H VAL 2 -1.102 12.260 5.988 31 HA VAL 2 HA VAL 2 -0.334 10.465 8.380 32 HB VAL 2 HB VAL 2 -3.152 11.310 7.486 33 HG11 VAL 2 1HG1 VAL 2 -3.912 10.224 9.638 34 HG12 VAL 2 2HG1 VAL 2 -3.138 9.058 8.558 35 HG13 VAL 2 3HG1 VAL 2 -2.243 9.681 9.953 36 HG21 VAL 2 3HG2 VAL 2 -3.315 12.607 9.636 37 HG22 VAL 2 1HG2 VAL 2 -1.606 12.257 10.001 38 HG23 VAL 2 2HG2 VAL 2 -2.038 13.268 8.608 39 H ASP 3 H ASP 3 0.816 9.147 6.960 40 HA ASP 3 HA ASP 3 -0.402 8.223 4.431 41 HB2 ASP 3 1HB ASP 3 2.364 7.866 5.660 42 HB3 ASP 3 2HB ASP 3 1.905 7.131 4.141 43 H ILE 4 H ILE 4 -2.004 6.828 4.823 44 HA ILE 4 HA ILE 4 -1.787 4.561 6.659 45 HB ILE 4 HB ILE 4 -4.008 4.695 4.572 46 HG12 ILE 4 1HG1 ILE 4 -4.043 7.014 5.173 47 HG13 ILE 4 2HG1 ILE 4 -5.472 6.158 5.665 48 HG21 ILE 4 1HG2 ILE 4 -4.095 3.914 7.551 49 HG22 ILE 4 2HG2 ILE 4 -5.416 3.746 6.367 50 HG23 ILE 4 3HG2 ILE 4 -3.937 2.781 6.194 51 HD11 ILE 4 3HD1 ILE 4 -3.194 7.025 7.547 52 HD12 ILE 4 1HD1 ILE 4 -4.775 7.827 7.368 53 HD13 ILE 4 2HD1 ILE 4 -4.695 6.197 8.070 54 H THR 5 H THR 5 -0.345 2.935 6.049 55 HA THR 5 HA THR 5 -0.732 1.590 3.302 56 HB THR 5 HB THR 5 1.543 1.279 5.330 57 HG1 THR 5 HG1 THR 5 1.265 3.295 4.132 58 HG21 THR 5 3HG2 THR 5 1.339 0.276 2.408 59 HG22 THR 5 1HG2 THR 5 2.765 0.168 3.466 60 HG23 THR 5 2HG2 THR 5 1.300 -0.771 3.854 61 H ILE 6 H ILE 6 -2.496 0.328 3.549 62 HA ILE 6 HA ILE 6 -2.995 -1.359 6.039 63 HB ILE 6 HB ILE 6 -4.611 -1.074 3.454 64 HG12 ILE 6 1HG1 ILE 6 -4.674 1.057 4.691 65 HG13 ILE 6 2HG1 ILE 6 -6.225 0.298 4.504 66 HG21 ILE 6 1HG2 ILE 6 -5.426 -2.584 6.010 67 HG22 ILE 6 2HG2 ILE 6 -6.531 -2.185 4.669 68 HG23 ILE 6 3HG2 ILE 6 -5.158 -3.256 4.385 69 HD11 ILE 6 3HD1 ILE 6 -6.065 1.281 6.772 70 HD12 ILE 6 1HD1 ILE 6 -6.164 -0.481 6.942 71 HD13 ILE 6 2HD1 ILE 6 -4.599 0.349 7.121 72 H LYS 7 H LYS 7 -1.453 -3.067 6.044 73 HA LYS 7 HA LYS 7 -1.242 -4.807 3.547 74 HB2 LYS 7 1HB LYS 7 0.430 -5.190 6.047 75 HB3 LYS 7 2HB LYS 7 0.607 -5.928 4.476 76 HG2 LYS 7 1HG LYS 7 0.838 -3.285 3.713 77 HG3 LYS 7 2HG LYS 7 1.334 -3.105 5.386 78 HD2 LYS 7 1HD LYS 7 3.149 -4.884 5.017 79 HD3 LYS 7 2HD LYS 7 2.564 -5.110 3.371 80 HE2 LYS 7 1HE LYS 7 3.046 -2.523 3.008 81 HE3 LYS 7 2HE LYS 7 3.944 -2.585 4.533 82 HZ1 LYS 7 3HZ LYS 7 5.250 -4.551 3.399 83 HZ2 LYS 7 1HZ LYS 7 4.394 -4.225 2.019 84 HZ3 LYS 7 2HZ LYS 7 5.425 -3.104 2.576 85 H ILE 8 H ILE 8 -2.924 -6.121 3.374 86 HA ILE 8 HA ILE 8 -3.922 -7.750 5.794 87 HB ILE 8 HB ILE 8 -5.219 -7.208 3.080 88 HG12 ILE 8 1HG1 ILE 8 -6.418 -6.561 5.850 89 HG13 ILE 8 2HG1 ILE 8 -5.300 -5.449 5.106 90 HG21 ILE 8 1HG2 ILE 8 -7.241 -8.519 3.968 91 HG22 ILE 8 2HG2 ILE 8 -5.832 -9.545 3.694 92 HG23 ILE 8 3HG2 ILE 8 -6.249 -9.048 5.346 93 HD11 ILE 8 3HD1 ILE 8 -7.664 -4.808 4.591 94 HD12 ILE 8 1HD1 ILE 8 -6.762 -5.156 3.098 95 HD13 ILE 8 2HD1 ILE 8 -7.924 -6.341 3.732 96 H GLN 9 H GLN 9 -2.564 -9.458 6.039 97 HA GLN 9 HA GLN 9 -1.718 -11.085 3.630 98 HB2 GLN 9 1HB GLN 9 -0.152 -10.238 5.564 99 HB3 GLN 9 2HB GLN 9 -0.783 -11.573 6.499 100 HG2 GLN 9 1HG GLN 9 0.498 -11.843 3.704 101 HG3 GLN 9 2HG GLN 9 1.434 -11.874 5.177 102 HE21 GLN 9 1HE2 GLN 9 1.796 -13.749 3.523 103 HE22 GLN 9 2HE2 GLN 9 1.146 -15.334 4.221 104 H ARG 10 H ARG 10 -2.852 -12.707 3.021 105 HA ARG 10 HA ARG 10 -4.156 -14.606 5.029 106 HE ARG 10 HE ARG 10 -8.481 -14.195 0.263 107 HB2 ARG 10 1HB ARG 10 -6.228 -14.728 3.872 108 HB3 ARG 10 2HB ARG 10 -5.916 -13.017 4.075 109 HG2 ARG 10 1HG ARG 10 -4.964 -13.121 1.589 110 HG3 ARG 10 2HG ARG 10 -5.685 -14.720 1.538 111 HD2 ARG 10 1HD ARG 10 -7.902 -13.333 2.364 112 HD3 ARG 10 2HD ARG 10 -7.088 -11.985 1.606 113 HH11 ARG 10 2HH1 ARG 10 -5.625 -12.321 -0.248 114 HH12 ARG 10 1HH1 ARG 10 -5.460 -12.926 -1.979 115 HH21 ARG 10 2HH2 ARG 10 -8.312 -14.777 -1.731 116 HH22 ARG 10 1HH2 ARG 10 -6.916 -14.183 -2.749 117 H ASP 11 H ASP 11 -3.659 -16.705 4.572 118 HA ASP 11 HA ASP 11 -2.718 -18.619 3.456 119 HB2 ASP 11 1HB ASP 11 -4.750 -17.554 1.412 120 HB3 ASP 11 2HB ASP 11 -4.240 -19.221 1.588 121 H GLY 12 H GLY 12 -0.734 -16.878 3.087 122 HA2 GLY 12 1HA GLY 12 1.296 -16.553 1.746 123 HA3 GLY 12 2HA GLY 12 0.664 -17.632 0.528 124 H GLN 13 H GLN 13 -1.256 -14.835 1.421 125 HA GLN 13 HA GLN 13 -0.304 -13.264 -1.055 126 HB2 GLN 13 1HB GLN 13 -3.166 -13.953 -0.142 127 HB3 GLN 13 2HB GLN 13 -2.829 -12.780 -1.376 128 HG2 GLN 13 1HG GLN 13 -2.009 -14.409 -2.959 129 HG3 GLN 13 2HG GLN 13 -1.803 -15.653 -1.748 130 HE21 GLN 13 1HE2 GLN 13 -3.547 -16.938 -1.217 131 HE22 GLN 13 2HE2 GLN 13 -5.162 -16.794 -2.092 132 H GLU 14 H GLU 14 0.854 -11.848 0.459 133 HA GLU 14 HA GLU 14 -0.642 -10.015 2.147 134 HB2 GLU 14 1HB GLU 14 1.696 -8.657 1.883 135 HB3 GLU 14 2HB GLU 14 1.320 -9.838 3.075 136 HG2 GLU 14 1HG GLU 14 2.886 -10.477 0.492 137 HG3 GLU 14 2HG GLU 14 3.614 -10.072 2.039 138 H ILE 15 H ILE 15 -2.194 -8.861 1.298 139 HA ILE 15 HA ILE 15 -1.797 -7.180 -1.203 140 HB ILE 15 HB ILE 15 -4.240 -7.885 0.510 141 HG12 ILE 15 1HG1 ILE 15 -5.144 -8.600 -1.818 142 HG13 ILE 15 2HG1 ILE 15 -3.541 -8.315 -2.475 143 HG21 ILE 15 1HG2 ILE 15 -4.589 -5.489 -0.084 144 HG22 ILE 15 2HG2 ILE 15 -4.257 -5.828 -1.797 145 HG23 ILE 15 3HG2 ILE 15 -5.695 -6.513 -0.994 146 HD11 ILE 15 3HD1 ILE 15 -4.145 -10.367 -0.233 147 HD12 ILE 15 1HD1 ILE 15 -4.068 -10.744 -1.981 148 HD13 ILE 15 2HD1 ILE 15 -2.617 -10.198 -1.131 149 H GLU 16 H GLU 16 -0.521 -5.490 -0.793 150 HA GLU 16 HA GLU 16 -1.010 -3.741 1.637 151 HB2 GLU 16 1HB GLU 16 1.141 -2.789 1.375 152 HB3 GLU 16 2HB GLU 16 1.145 -4.531 1.596 153 HG2 GLU 16 1HG GLU 16 1.735 -4.844 -0.862 154 HG3 GLU 16 2HG GLU 16 1.765 -3.083 -1.065 155 H ILE 17 H ILE 17 -2.295 -2.174 1.446 156 HA ILE 17 HA ILE 17 -2.648 -0.645 -1.204 157 HB ILE 17 HB ILE 17 -4.595 -0.920 1.139 158 HG12 ILE 17 1HG1 ILE 17 -4.486 -3.079 0.062 159 HG13 ILE 17 2HG1 ILE 17 -6.028 -2.331 -0.259 160 HG21 ILE 17 1HG2 ILE 17 -6.329 0.109 -0.365 161 HG22 ILE 17 2HG2 ILE 17 -5.011 1.231 0.002 162 HG23 ILE 17 3HG2 ILE 17 -5.078 0.442 -1.586 163 HD11 ILE 17 3HD1 ILE 17 -5.210 -3.478 -2.304 164 HD12 ILE 17 1HD1 ILE 17 -5.215 -1.733 -2.635 165 HD13 ILE 17 2HD1 ILE 17 -3.682 -2.570 -2.277 166 H ASP 18 H ASP 18 -1.511 1.189 -1.218 167 HA ASP 18 HA ASP 18 -1.118 2.976 1.170 168 HB2 ASP 18 1HB ASP 18 0.523 2.793 -0.788 169 HB3 ASP 18 2HB ASP 18 -0.654 3.561 -1.834 170 H ILE 19 H ILE 19 -2.818 4.108 1.915 171 HA ILE 19 HA ILE 19 -4.631 5.586 -0.028 172 HB ILE 19 HB ILE 19 -5.846 3.525 0.466 173 HG12 ILE 19 1HG1 ILE 19 -8.049 4.453 1.186 174 HG13 ILE 19 2HG1 ILE 19 -7.278 5.935 1.727 175 HG21 ILE 19 1HG2 ILE 19 -6.776 2.926 2.649 176 HG22 ILE 19 2HG2 ILE 19 -5.022 3.079 2.834 177 HG23 ILE 19 3HG2 ILE 19 -6.086 4.381 3.419 178 HD11 ILE 19 3HD1 ILE 19 -6.625 6.487 -0.654 179 HD12 ILE 19 1HD1 ILE 19 -7.287 4.929 -1.215 180 HD13 ILE 19 2HD1 ILE 19 -8.365 6.174 -0.541 181 H ARG 20 H ARG 20 -2.682 6.750 0.845 182 HA ARG 20 HA ARG 20 -2.669 7.943 3.397 183 HE ARG 20 HE ARG 20 0.752 7.283 -0.050 184 HB2 ARG 20 1HB ARG 20 -0.875 9.408 2.610 185 HB3 ARG 20 2HB ARG 20 -0.692 7.746 2.095 186 HG2 ARG 20 1HG ARG 20 -1.438 8.368 -0.253 187 HG3 ARG 20 2HG ARG 20 -1.693 10.024 0.269 188 HD2 ARG 20 1HD ARG 20 0.488 10.029 -0.768 189 HD3 ARG 20 2HD ARG 20 0.773 10.137 0.976 190 HH11 ARG 20 2HH1 ARG 20 2.772 10.029 0.746 191 HH12 ARG 20 1HH1 ARG 20 4.192 8.937 1.019 192 HH21 ARG 20 2HH2 ARG 20 2.440 6.139 0.061 193 HH22 ARG 20 1HH2 ARG 20 4.071 6.892 0.526 194 H VAL 21 H VAL 21 -3.094 9.820 4.396 195 HA VAL 21 HA VAL 21 -5.469 11.358 3.205 196 HB VAL 21 HB VAL 21 -4.928 10.239 6.005 197 HG11 VAL 21 1HG1 VAL 21 -6.046 12.496 6.316 198 HG12 VAL 21 2HG1 VAL 21 -7.381 11.962 5.258 199 HG13 VAL 21 3HG1 VAL 21 -7.072 11.147 6.803 200 HG21 VAL 21 3HG2 VAL 21 -5.901 8.613 4.320 201 HG22 VAL 21 1HG2 VAL 21 -7.078 8.964 5.587 202 HG23 VAL 21 2HG2 VAL 21 -7.244 9.727 3.994 203 H SER 22 H SER 22 -5.153 13.409 2.875 204 HA SER 22 HA SER 22 -4.111 15.094 5.172 205 HG SER 22 HG SER 22 -4.265 16.239 1.948 206 HB2 SER 22 1HB SER 22 -2.778 16.598 3.873 207 HB3 SER 22 2HB SER 22 -2.231 14.976 3.454 208 H THR 23 H THR 23 -6.268 15.346 5.657 209 HA THR 23 HA THR 23 -7.849 17.394 4.160 210 HB THR 23 HB THR 23 -8.351 15.772 2.589 211 HG1 THR 23 HG1 THR 23 -10.591 15.486 2.882 212 HG21 THR 23 3HG2 THR 23 -7.736 13.630 3.725 213 HG22 THR 23 1HG2 THR 23 -9.236 13.689 4.684 214 HG23 THR 23 2HG2 THR 23 -9.296 13.532 2.909 215 H GLY 24 H GLY 24 -8.874 14.754 6.353 216 HA2 GLY 24 1HA GLY 24 -9.272 15.280 8.861 217 HA3 GLY 24 2HA GLY 24 -9.697 16.919 8.420 218 H LYS 25 H LYS 25 -11.079 14.276 9.478 219 HA LYS 25 HA LYS 25 -13.226 13.358 9.549 220 HB2 LYS 25 1HB LYS 25 -14.265 15.611 7.758 221 HB3 LYS 25 2HB LYS 25 -15.250 14.353 8.481 222 HG2 LYS 25 1HG LYS 25 -14.520 15.097 10.805 223 HG3 LYS 25 2HG LYS 25 -13.593 16.409 10.070 224 HD2 LYS 25 1HD LYS 25 -15.729 17.300 8.998 225 HD3 LYS 25 2HD LYS 25 -16.647 15.997 9.760 226 HE2 LYS 25 1HE LYS 25 -15.916 16.846 12.071 227 HE3 LYS 25 2HE LYS 25 -15.020 18.157 11.296 228 HZ1 LYS 25 3HZ LYS 25 -17.180 18.919 10.264 229 HZ2 LYS 25 1HZ LYS 25 -18.001 17.718 11.018 230 HZ3 LYS 25 2HZ LYS 25 -17.310 18.918 11.904 231 H GLU 26 H GLU 26 -12.164 14.014 6.255 232 HA GLU 26 HA GLU 26 -13.585 11.614 5.125 233 HB2 GLU 26 1HB GLU 26 -11.375 13.108 3.663 234 HB3 GLU 26 2HB GLU 26 -12.637 12.098 3.025 235 HG2 GLU 26 1HG GLU 26 -14.210 14.113 4.146 236 HG3 GLU 26 2HG GLU 26 -12.741 15.016 3.937 237 H LEU 27 H LEU 27 -12.693 10.555 6.903 238 HA LEU 27 HA LEU 27 -10.280 8.761 6.515 239 HG LEU 27 HG LEU 27 -9.600 8.930 9.826 240 HB2 LEU 27 1HB LEU 27 -9.294 10.820 7.405 241 HB3 LEU 27 2HB LEU 27 -10.507 10.955 8.657 242 HD11 LEU 27 1HD1 LEU 27 -7.282 8.959 7.782 243 HD12 LEU 27 2HD1 LEU 27 -7.448 7.896 9.190 244 HD13 LEU 27 3HD1 LEU 27 -8.563 7.721 7.826 245 HD21 LEU 27 3HD2 LEU 27 -7.482 11.105 9.228 246 HD22 LEU 27 1HD2 LEU 27 -8.779 11.215 10.443 247 HD23 LEU 27 2HD2 LEU 27 -7.486 10.016 10.634 248 H GLU 28 H GLU 28 -12.744 9.787 8.981 249 HA GLU 28 HA GLU 28 -13.230 7.120 10.118 250 HB2 GLU 28 1HB GLU 28 -13.894 9.319 11.139 251 HB3 GLU 28 2HB GLU 28 -15.100 9.558 9.883 252 HG2 GLU 28 1HG GLU 28 -16.330 7.459 10.719 253 HG3 GLU 28 2HG GLU 28 -15.107 7.267 11.977 254 H ARG 29 H ARG 29 -14.895 8.770 7.428 255 HA ARG 29 HA ARG 29 -16.616 6.583 6.481 256 HE ARG 29 HE ARG 29 -17.016 9.848 2.981 257 HB2 ARG 29 1HB ARG 29 -15.196 8.898 5.015 258 HB3 ARG 29 2HB ARG 29 -16.257 7.797 4.178 259 HG2 ARG 29 1HG ARG 29 -18.239 8.600 5.144 260 HG3 ARG 29 2HG ARG 29 -17.472 9.124 6.621 261 HD2 ARG 29 1HD ARG 29 -18.241 11.069 5.302 262 HD3 ARG 29 2HD ARG 29 -16.501 11.103 5.610 263 HH11 ARG 29 2HH1 ARG 29 -16.941 13.051 4.426 264 HH12 ARG 29 1HH1 ARG 29 -16.008 13.657 2.932 265 HH21 ARG 29 2HH2 ARG 29 -16.000 10.742 1.334 266 HH22 ARG 29 1HH2 ARG 29 -15.559 12.533 1.461 267 H ALA 30 H ALA 30 -13.230 7.297 5.521 268 HA ALA 30 HA ALA 30 -12.898 4.904 3.791 269 HB1 ALA 30 3HB ALA 30 -10.786 6.715 5.142 270 HB2 ALA 30 1HB ALA 30 -10.475 5.527 3.855 271 HB3 ALA 30 2HB ALA 30 -11.484 6.947 3.519 272 H LEU 31 H LEU 31 -11.919 5.517 7.218 273 HA LEU 31 HA LEU 31 -10.859 2.907 7.901 274 HG LEU 31 HG LEU 31 -10.932 2.424 10.369 275 HB2 LEU 31 1HB LEU 31 -10.671 4.987 9.180 276 HB3 LEU 31 2HB LEU 31 -12.359 4.982 9.577 277 HD11 LEU 31 1HD1 LEU 31 -9.063 4.003 10.765 278 HD12 LEU 31 2HD1 LEU 31 -10.122 5.091 11.696 279 HD13 LEU 31 3HD1 LEU 31 -9.737 3.465 12.318 280 HD21 LEU 31 3HD2 LEU 31 -12.160 2.856 12.541 281 HD22 LEU 31 1HD2 LEU 31 -12.726 4.420 11.916 282 HD23 LEU 31 2HD2 LEU 31 -13.258 2.903 11.147 283 H GLN 32 H GLN 32 -14.348 3.895 8.034 284 HA GLN 32 HA GLN 32 -15.302 1.238 8.856 285 HB2 GLN 32 1HB GLN 32 -16.476 3.484 9.140 286 HB3 GLN 32 2HB GLN 32 -16.817 3.501 7.414 287 HG2 GLN 32 1HG GLN 32 -18.132 1.340 7.698 288 HG3 GLN 32 2HG GLN 32 -17.792 1.330 9.420 289 HE21 GLN 32 1HE2 GLN 32 -18.701 3.179 10.679 290 HE22 GLN 32 2HE2 GLN 32 -20.248 3.946 10.029 291 H GLU 33 H GLU 33 -15.135 2.655 5.517 292 HA GLU 33 HA GLU 33 -15.997 0.168 4.152 293 HB2 GLU 33 1HB GLU 33 -16.122 2.460 3.152 294 HB3 GLU 33 2HB GLU 33 -14.373 2.532 3.072 295 HG2 GLU 33 1HG GLU 33 -15.305 1.986 0.853 296 HG3 GLU 33 2HG GLU 33 -14.356 0.618 1.417 297 H LEU 34 H LEU 34 -12.708 1.364 4.996 298 HA LEU 34 HA LEU 34 -11.255 -1.010 4.056 299 HG LEU 34 HG LEU 34 -10.574 1.879 3.818 300 HB2 LEU 34 1HB LEU 34 -10.574 0.986 6.278 301 HB3 LEU 34 2HB LEU 34 -9.466 -0.254 5.746 302 HD11 LEU 34 1HD1 LEU 34 -8.532 3.162 4.154 303 HD12 LEU 34 2HD1 LEU 34 -9.289 2.927 5.731 304 HD13 LEU 34 3HD1 LEU 34 -7.864 1.956 5.286 305 HD21 LEU 34 3HD2 LEU 34 -9.714 -0.057 2.574 306 HD22 LEU 34 1HD2 LEU 34 -8.516 1.237 2.442 307 HD23 LEU 34 2HD2 LEU 34 -8.235 -0.125 3.554 308 H GLU 35 H GLU 35 -12.708 -0.456 7.359 309 HA GLU 35 HA GLU 35 -11.974 -3.105 8.325 310 HB2 GLU 35 1HB GLU 35 -12.964 -2.630 10.232 311 HB3 GLU 35 2HB GLU 35 -12.884 -0.999 9.631 312 HG2 GLU 35 1HG GLU 35 -15.336 -1.037 9.109 313 HG3 GLU 35 2HG GLU 35 -15.438 -2.739 9.541 314 H LYS 36 H LYS 36 -14.933 -2.158 6.663 315 HA LYS 36 HA LYS 36 -16.153 -4.788 6.227 316 HB2 LYS 36 1HB LYS 36 -17.324 -2.707 5.793 317 HB3 LYS 36 2HB LYS 36 -16.088 -2.149 4.688 318 HG2 LYS 36 1HG LYS 36 -16.743 -3.973 3.037 319 HG3 LYS 36 2HG LYS 36 -18.092 -4.420 4.088 320 HD2 LYS 36 1HD LYS 36 -19.127 -2.185 3.837 321 HD3 LYS 36 2HD LYS 36 -17.637 -1.501 3.203 322 HE2 LYS 36 1HE LYS 36 -17.818 -2.967 1.125 323 HE3 LYS 36 2HE LYS 36 -19.432 -3.501 1.662 324 HZ1 LYS 36 3HZ LYS 36 -19.495 -1.407 0.193 325 HZ2 LYS 36 1HZ LYS 36 -20.053 -1.017 1.713 326 HZ3 LYS 36 2HZ LYS 36 -18.528 -0.618 1.262 327 H ALA 37 H ALA 37 -13.790 -3.149 3.966 328 HA ALA 37 HA ALA 37 -13.326 -5.520 2.316 329 HB1 ALA 37 3HB ALA 37 -11.337 -4.235 1.495 330 HB2 ALA 37 1HB ALA 37 -12.767 -3.194 1.624 331 HB3 ALA 37 2HB ALA 37 -11.485 -3.098 2.856 332 H LEU 38 H LEU 38 -11.440 -4.473 5.176 333 HA LEU 38 HA LEU 38 -9.528 -6.662 5.373 334 HG LEU 38 HG LEU 38 -8.095 -6.174 7.597 335 HB2 LEU 38 1HB LEU 38 -9.628 -4.454 6.605 336 HB3 LEU 38 2HB LEU 38 -10.965 -5.043 7.566 337 HD11 LEU 38 1HD1 LEU 38 -7.917 -4.920 9.791 338 HD12 LEU 38 2HD1 LEU 38 -8.190 -3.814 8.435 339 HD13 LEU 38 3HD1 LEU 38 -9.526 -4.220 9.534 340 HD21 LEU 38 3HD2 LEU 38 -10.530 -6.773 9.418 341 HD22 LEU 38 1HD2 LEU 38 -9.567 -7.933 8.467 342 HD23 LEU 38 2HD2 LEU 38 -8.847 -7.135 9.874 343 H ALA 39 H ALA 39 -12.796 -6.535 6.900 344 HA ALA 39 HA ALA 39 -12.786 -9.377 7.726 345 HB1 ALA 39 3HB ALA 39 -14.186 -7.630 8.836 346 HB2 ALA 39 1HB ALA 39 -15.130 -7.391 7.348 347 HB3 ALA 39 2HB ALA 39 -15.210 -8.942 8.219 348 H ARG 40 H ARG 40 -14.390 -7.834 4.867 349 HA ARG 40 HA ARG 40 -15.476 -10.399 3.873 350 HE ARG 40 HE ARG 40 -19.285 -7.159 4.205 351 HB2 ARG 40 1HB ARG 40 -15.146 -7.685 2.461 352 HB3 ARG 40 2HB ARG 40 -15.941 -9.070 1.733 353 HG2 ARG 40 1HG ARG 40 -17.605 -9.143 3.667 354 HG3 ARG 40 2HG ARG 40 -16.868 -7.679 4.325 355 HD2 ARG 40 1HD ARG 40 -17.440 -6.430 2.175 356 HD3 ARG 40 2HD ARG 40 -18.161 -7.921 1.526 357 HH11 ARG 40 2HH1 ARG 40 -19.688 -6.669 0.786 358 HH12 ARG 40 1HH1 ARG 40 -21.454 -6.231 0.981 359 HH21 ARG 40 2HH2 ARG 40 -21.284 -6.641 4.394 360 HH22 ARG 40 1HH2 ARG 40 -22.289 -6.201 2.943 361 H ALA 41 H ALA 41 -12.350 -8.908 3.130 362 HA ALA 41 HA ALA 41 -11.649 -10.792 0.944 363 HB1 ALA 41 3HB ALA 41 -9.846 -9.211 2.902 364 HB2 ALA 41 1HB ALA 41 -9.315 -9.979 1.385 365 HB3 ALA 41 2HB ALA 41 -10.456 -8.623 1.337 366 H GLY 42 H GLY 42 -11.736 -11.340 4.396 367 HA2 GLY 42 1HA GLY 42 -11.405 -13.474 5.547 368 HA3 GLY 42 2HA GLY 42 -10.818 -14.187 4.063 369 H ALA 43 H ALA 43 -9.734 -11.622 6.314 370 HA ALA 43 HA ALA 43 -6.918 -12.032 5.803 371 HB1 ALA 43 3HB ALA 43 -8.010 -9.888 6.554 372 HB2 ALA 43 1HB ALA 43 -8.317 -10.601 8.157 373 HB3 ALA 43 2HB ALA 43 -6.651 -10.346 7.600 374 H ARG 44 H ARG 44 -5.198 -12.688 7.107 375 HA ARG 44 HA ARG 44 -5.841 -14.275 9.639 376 HE ARG 44 HE ARG 44 -6.076 -19.246 8.597 377 HB2 ARG 44 1HB ARG 44 -4.719 -15.476 7.295 378 HB3 ARG 44 2HB ARG 44 -3.324 -15.157 8.265 379 HG2 ARG 44 1HG ARG 44 -3.978 -17.332 8.941 380 HG3 ARG 44 2HG ARG 44 -4.521 -16.326 10.253 381 HD2 ARG 44 1HD ARG 44 -6.551 -17.359 10.037 382 HD3 ARG 44 2HD ARG 44 -6.881 -16.314 8.692 383 HH11 ARG 44 2HH1 ARG 44 -6.655 -16.428 6.604 384 HH12 ARG 44 1HH1 ARG 44 -6.485 -17.447 5.057 385 HH21 ARG 44 2HH2 ARG 44 -5.991 -20.324 6.857 386 HH22 ARG 44 1HH2 ARG 44 -6.075 -19.507 5.215 387 H ASN 45 H ASN 45 -3.172 -12.483 8.063 388 HA ASN 45 HA ASN 45 -2.449 -11.374 10.832 389 HB2 ASN 45 1HB ASN 45 -0.729 -13.028 10.167 390 HB3 ASN 45 2HB ASN 45 -0.456 -12.213 8.643 391 HD21 ASN 45 1HD2 ASN 45 1.510 -11.210 8.817 392 HD22 ASN 45 2HD2 ASN 45 2.116 -10.333 10.326 393 H VAL 46 H VAL 46 -3.049 -9.306 10.810 394 HA VAL 46 HA VAL 46 -2.933 -7.699 8.175 395 HB VAL 46 HB VAL 46 -4.774 -7.126 10.548 396 HG11 VAL 46 1HG1 VAL 46 -4.588 -5.785 7.758 397 HG12 VAL 46 2HG1 VAL 46 -5.855 -5.469 8.968 398 HG13 VAL 46 3HG1 VAL 46 -4.179 -5.040 9.320 399 HG21 VAL 46 3HG2 VAL 46 -6.662 -7.784 9.011 400 HG22 VAL 46 1HG2 VAL 46 -5.484 -8.314 7.781 401 HG23 VAL 46 2HG2 VAL 46 -5.599 -9.150 9.349 402 H GLN 47 H GLN 47 -1.275 -6.335 8.113 403 HA GLN 47 HA GLN 47 -0.330 -4.994 10.696 404 HB2 GLN 47 1HB GLN 47 1.931 -5.007 10.203 405 HB3 GLN 47 2HB GLN 47 1.299 -6.637 10.212 406 HG2 GLN 47 1HG GLN 47 1.358 -6.602 7.619 407 HG3 GLN 47 2HG GLN 47 2.165 -5.040 7.723 408 HE21 GLN 47 1HE2 GLN 47 2.572 -8.426 8.138 409 HE22 GLN 47 2HE2 GLN 47 4.309 -8.361 8.668 410 H ILE 48 H ILE 48 -1.329 -3.177 10.634 411 HA ILE 48 HA ILE 48 -1.394 -1.466 8.113 412 HB ILE 48 HB ILE 48 -2.695 -0.990 10.842 413 HG12 ILE 48 1HG1 ILE 48 -4.037 -1.641 8.134 414 HG13 ILE 48 2HG1 ILE 48 -3.689 -2.841 9.346 415 HG21 ILE 48 1HG2 ILE 48 -2.771 0.754 8.280 416 HG22 ILE 48 2HG2 ILE 48 -3.883 0.969 9.661 417 HG23 ILE 48 3HG2 ILE 48 -2.150 1.218 9.865 418 HD11 ILE 48 3HD1 ILE 48 -5.625 -0.485 9.800 419 HD12 ILE 48 1HD1 ILE 48 -6.047 -2.187 9.526 420 HD13 ILE 48 2HD1 ILE 48 -5.197 -1.718 11.013 421 H THR 49 H THR 49 0.283 -0.204 7.719 422 HA THR 49 HA THR 49 2.056 0.827 9.995 423 HB THR 49 HB THR 49 2.918 0.584 7.079 424 HG1 THR 49 HG1 THR 49 4.386 -0.912 8.096 425 HG21 THR 49 3HG2 THR 49 4.111 2.461 8.315 426 HG22 THR 49 1HG2 THR 49 4.528 1.346 9.631 427 HG23 THR 49 2HG2 THR 49 5.219 1.115 8.007 428 H ILE 50 H ILE 50 1.256 2.690 10.578 429 HA ILE 50 HA ILE 50 0.278 4.673 8.459 430 HB ILE 50 HB ILE 50 -1.401 3.910 10.112 431 HG12 ILE 50 1HG1 ILE 50 -0.900 6.933 10.174 432 HG13 ILE 50 2HG1 ILE 50 -1.468 6.065 8.760 433 HG21 ILE 50 1HG2 ILE 50 -1.479 4.874 12.432 434 HG22 ILE 50 2HG2 ILE 50 -0.081 3.821 12.230 435 HG23 ILE 50 3HG2 ILE 50 0.114 5.600 12.216 436 HD11 ILE 50 3HD1 ILE 50 -3.537 5.294 9.956 437 HD12 ILE 50 1HD1 ILE 50 -3.018 6.116 11.440 438 HD13 ILE 50 2HD1 ILE 50 -3.399 7.071 10.004 439 H SER 51 H SER 51 1.799 6.049 7.872 440 HA SER 51 HA SER 51 3.976 6.874 9.873 441 HG SER 51 HG SER 51 5.983 7.365 8.981 442 HB2 SER 51 1HB SER 51 4.709 5.859 7.714 443 HB3 SER 51 2HB SER 51 4.069 7.258 6.852 444 H ALA 52 H ALA 52 3.395 8.500 11.051 445 HA ALA 52 HA ALA 52 1.565 10.687 10.005 446 HB1 ALA 52 3HB ALA 52 1.104 11.025 12.411 447 HB2 ALA 52 1HB ALA 52 0.984 9.304 12.014 448 HB3 ALA 52 2HB ALA 52 2.412 9.921 12.880 449 H GLU 53 H GLU 53 1.774 12.863 10.563 450 HA GLU 53 HA GLU 53 4.323 14.145 10.157 451 HB2 GLU 53 1HB GLU 53 1.604 15.175 11.189 452 HB3 GLU 53 2HB GLU 53 2.952 16.262 10.951 453 HG2 GLU 53 1HG GLU 53 3.078 15.851 8.547 454 HG3 GLU 53 2HG GLU 53 2.087 14.411 8.669 455 H ASN 54 H ASN 54 2.673 13.718 13.267 456 HA ASN 54 HA ASN 54 5.271 14.518 14.718 457 HB2 ASN 54 1HB ASN 54 2.434 15.536 15.403 458 HB3 ASN 54 2HB ASN 54 3.789 15.635 16.521 459 HD21 ASN 54 1HD2 ASN 54 2.871 17.922 16.331 460 HD22 ASN 54 2HD2 ASN 54 3.786 18.926 15.080 461 H ASP 55 H ASP 55 5.454 13.768 16.931 462 HA ASP 55 HA ASP 55 4.669 11.006 17.431 463 HB2 ASP 55 1HB ASP 55 5.748 11.338 19.627 464 HB3 ASP 55 2HB ASP 55 6.746 11.844 18.288 465 H GLU 56 H GLU 56 3.278 14.033 18.786 466 HA GLU 56 HA GLU 56 1.079 12.916 20.268 467 HB2 GLU 56 1HB GLU 56 0.012 15.061 20.088 468 HB3 GLU 56 2HB GLU 56 1.731 15.310 20.235 469 HG2 GLU 56 1HG GLU 56 1.700 15.532 17.567 470 HG3 GLU 56 2HG GLU 56 -0.036 15.726 17.741 471 H GLN 57 H GLN 57 1.158 13.391 16.772 472 HA GLN 57 HA GLN 57 -1.564 12.299 16.177 473 HB2 GLN 57 1HB GLN 57 0.902 12.562 14.345 474 HB3 GLN 57 2HB GLN 57 -0.672 12.037 13.804 475 HG2 GLN 57 1HG GLN 57 -0.087 14.843 14.960 476 HG3 GLN 57 2HG GLN 57 -0.129 14.434 13.261 477 HE21 GLN 57 1HE2 GLN 57 -2.067 15.516 15.798 478 HE22 GLN 57 2HE2 GLN 57 -3.642 15.321 14.861 479 H ALA 58 H ALA 58 1.727 10.843 15.932 480 HA ALA 58 HA ALA 58 0.964 8.093 15.419 481 HB1 ALA 58 3HB ALA 58 3.263 7.593 16.370 482 HB2 ALA 58 1HB ALA 58 3.292 8.975 15.258 483 HB3 ALA 58 2HB ALA 58 3.349 9.231 17.021 484 H LYS 59 H LYS 59 1.212 9.664 18.644 485 HA LYS 59 HA LYS 59 0.492 7.335 20.266 486 HB2 LYS 59 1HB LYS 59 1.545 9.287 21.214 487 HB3 LYS 59 2HB LYS 59 0.297 10.369 20.689 488 HG2 LYS 59 1HG LYS 59 -0.744 8.190 22.528 489 HG3 LYS 59 2HG LYS 59 0.536 9.142 23.252 490 HD2 LYS 59 1HD LYS 59 -0.632 11.251 22.915 491 HD3 LYS 59 2HD LYS 59 -1.828 10.557 21.856 492 HE2 LYS 59 1HE LYS 59 -1.577 9.702 24.836 493 HE3 LYS 59 2HE LYS 59 -2.528 11.094 24.314 494 HZ1 LYS 59 3HZ LYS 59 -3.640 9.383 22.658 495 HZ2 LYS 59 1HZ LYS 59 -3.057 8.179 23.585 496 HZ3 LYS 59 2HZ LYS 59 -4.103 9.254 24.231 497 H GLU 60 H GLU 60 -1.796 9.860 19.029 498 HA GLU 60 HA GLU 60 -4.167 8.238 19.911 499 HB2 GLU 60 1HB GLU 60 -4.024 10.769 18.172 500 HB3 GLU 60 2HB GLU 60 -5.514 9.898 18.494 501 HG2 GLU 60 1HG GLU 60 -5.122 10.162 21.019 502 HG3 GLU 60 2HG GLU 60 -3.743 11.215 20.642 503 H LEU 61 H LEU 61 -2.536 8.566 16.737 504 HA LEU 61 HA LEU 61 -4.416 6.802 15.308 505 HG LEU 61 HG LEU 61 -3.057 9.447 14.554 506 HB2 LEU 61 1HB LEU 61 -1.472 7.396 14.725 507 HB3 LEU 61 2HB LEU 61 -2.538 6.552 13.629 508 HD11 LEU 61 1HD1 LEU 61 -0.922 9.288 13.315 509 HD12 LEU 61 2HD1 LEU 61 -1.715 8.433 11.970 510 HD13 LEU 61 3HD1 LEU 61 -2.138 10.131 12.341 511 HD21 LEU 61 3HD2 LEU 61 -4.602 9.563 12.585 512 HD22 LEU 61 1HD2 LEU 61 -4.359 7.831 12.265 513 HD23 LEU 61 2HD2 LEU 61 -5.150 8.366 13.766 514 H LEU 62 H LEU 62 -1.396 5.913 17.034 515 HA LEU 62 HA LEU 62 -1.540 3.002 16.925 516 HG LEU 62 HG LEU 62 -1.213 3.067 20.394 517 HB2 LEU 62 1HB LEU 62 0.347 4.131 17.950 518 HB3 LEU 62 2HB LEU 62 -0.673 5.056 19.019 519 HD11 LEU 62 1HD1 LEU 62 -0.920 1.219 18.752 520 HD12 LEU 62 2HD1 LEU 62 0.830 1.570 18.627 521 HD13 LEU 62 3HD1 LEU 62 0.134 0.958 20.148 522 HD21 LEU 62 3HD2 LEU 62 1.034 2.900 21.474 523 HD22 LEU 62 1HD2 LEU 62 1.802 3.624 20.037 524 HD23 LEU 62 2HD2 LEU 62 0.660 4.573 21.023 525 H GLU 63 H GLU 63 -3.167 5.116 19.332 526 HA GLU 63 HA GLU 63 -4.750 2.969 20.536 527 HB2 GLU 63 1HB GLU 63 -5.054 6.030 20.613 528 HB3 GLU 63 2HB GLU 63 -6.072 4.951 21.544 529 HG2 GLU 63 1HG GLU 63 -4.114 4.026 22.800 530 HG3 GLU 63 2HG GLU 63 -2.995 4.926 21.789 531 H LEU 64 H LEU 64 -5.814 5.384 18.078 532 HA LEU 64 HA LEU 64 -8.473 4.287 17.597 533 HG LEU 64 HG LEU 64 -8.372 4.822 14.364 534 HB2 LEU 64 1HB LEU 64 -7.708 6.510 16.859 535 HB3 LEU 64 2HB LEU 64 -6.528 5.787 15.792 536 HD11 LEU 64 1HD1 LEU 64 -10.246 4.683 16.036 537 HD12 LEU 64 2HD1 LEU 64 -10.285 6.460 16.172 538 HD13 LEU 64 3HD1 LEU 64 -10.724 5.661 14.641 539 HD21 LEU 64 3HD2 LEU 64 -8.517 7.881 14.794 540 HD22 LEU 64 1HD2 LEU 64 -7.303 7.021 13.814 541 HD23 LEU 64 2HD2 LEU 64 -9.007 7.000 13.325 542 H ILE 65 H ILE 65 -5.410 3.329 15.900 543 HA ILE 65 HA ILE 65 -6.752 1.171 14.363 544 HB ILE 65 HB ILE 65 -3.779 1.489 14.961 545 HG12 ILE 65 1HG1 ILE 65 -5.243 2.079 12.300 546 HG13 ILE 65 2HG1 ILE 65 -4.913 3.318 13.493 547 HG21 ILE 65 1HG2 ILE 65 -5.217 -0.435 12.984 548 HG22 ILE 65 2HG2 ILE 65 -3.458 -0.166 12.996 549 HG23 ILE 65 3HG2 ILE 65 -4.233 -0.893 14.391 550 HD11 ILE 65 3HD1 ILE 65 -2.438 2.916 13.353 551 HD12 ILE 65 1HD1 ILE 65 -2.688 1.672 12.114 552 HD13 ILE 65 2HD1 ILE 65 -3.144 3.348 11.771 553 H ALA 66 H ALA 66 -4.904 0.988 17.493 554 HA ALA 66 HA ALA 66 -5.422 -1.846 18.025 555 HB1 ALA 66 3HB ALA 66 -3.792 -0.499 19.333 556 HB2 ALA 66 1HB ALA 66 -5.100 0.507 20.000 557 HB3 ALA 66 2HB ALA 66 -4.998 -1.221 20.420 558 H ARG 67 H ARG 67 -7.450 0.969 19.024 559 HA ARG 67 HA ARG 67 -9.721 -0.554 20.036 560 HE ARG 67 HE ARG 67 -13.844 1.185 21.673 561 HB2 ARG 67 1HB ARG 67 -9.205 1.945 20.318 562 HB3 ARG 67 2HB ARG 67 -9.693 2.199 18.662 563 HG2 ARG 67 1HG ARG 67 -11.505 2.890 20.033 564 HG3 ARG 67 2HG ARG 67 -12.058 1.416 19.264 565 HD2 ARG 67 1HD ARG 67 -11.697 0.099 21.333 566 HD3 ARG 67 2HD ARG 67 -10.848 1.399 22.133 567 HH11 ARG 67 2HH1 ARG 67 -11.297 3.328 22.692 568 HH12 ARG 67 1HH1 ARG 67 -12.465 4.407 23.595 569 HH21 ARG 67 2HH2 ARG 67 -15.142 2.441 22.686 570 HH22 ARG 67 1HH2 ARG 67 -14.535 3.914 23.566 571 H LEU 68 H LEU 68 -9.231 0.607 16.643 572 HA LEU 68 HA LEU 68 -11.547 -0.644 15.390 573 HG LEU 68 HG LEU 68 -9.804 -1.712 12.804 574 HB2 LEU 68 1HB LEU 68 -10.057 0.998 14.274 575 HB3 LEU 68 2HB LEU 68 -8.695 -0.093 14.395 576 HD11 LEU 68 1HD1 LEU 68 -11.893 0.548 12.446 577 HD12 LEU 68 2HD1 LEU 68 -11.683 -0.855 11.388 578 HD13 LEU 68 3HD1 LEU 68 -12.209 -1.100 13.052 579 HD21 LEU 68 3HD2 LEU 68 -8.090 -0.098 12.012 580 HD22 LEU 68 1HD2 LEU 68 -9.335 -0.340 10.771 581 HD23 LEU 68 2HD2 LEU 68 -9.337 1.146 11.751 582 H LEU 69 H LEU 69 -8.273 -2.087 15.696 583 HA LEU 69 HA LEU 69 -9.129 -4.697 14.595 584 HG LEU 69 HG LEU 69 -6.897 -2.573 13.933 585 HB2 LEU 69 1HB LEU 69 -6.548 -3.963 16.070 586 HB3 LEU 69 2HB LEU 69 -6.799 -5.421 15.134 587 HD11 LEU 69 1HD1 LEU 69 -4.619 -3.124 14.801 588 HD12 LEU 69 2HD1 LEU 69 -4.567 -4.561 13.774 589 HD13 LEU 69 3HD1 LEU 69 -4.649 -2.969 13.031 590 HD21 LEU 69 3HD2 LEU 69 -8.182 -4.136 12.516 591 HD22 LEU 69 1HD2 LEU 69 -6.669 -3.715 11.710 592 HD23 LEU 69 2HD2 LEU 69 -6.841 -5.305 12.492 593 H GLN 70 H GLN 70 -8.586 -3.706 17.997 594 HA GLN 70 HA GLN 70 -9.417 -6.244 19.269 595 HB2 GLN 70 1HB GLN 70 -9.643 -3.318 20.202 596 HB3 GLN 70 2HB GLN 70 -10.047 -4.682 21.224 597 HG2 GLN 70 1HG GLN 70 -7.734 -5.540 21.199 598 HG3 GLN 70 2HG GLN 70 -7.231 -4.347 20.010 599 HE21 GLN 70 1HE2 GLN 70 -6.140 -4.770 22.647 600 HE22 GLN 70 2HE2 GLN 70 -6.316 -3.126 23.462 601 H LYS 71 H LYS 71 -11.416 -3.423 18.239 602 HA LYS 71 HA LYS 71 -14.045 -4.559 18.922 603 HB2 LYS 71 1HB LYS 71 -13.563 -2.141 18.416 604 HB3 LYS 71 2HB LYS 71 -13.190 -2.552 16.760 605 HG2 LYS 71 1HG LYS 71 -15.758 -3.459 16.705 606 HG3 LYS 71 2HG LYS 71 -15.910 -2.557 18.192 607 HD2 LYS 71 1HD LYS 71 -16.656 -1.076 16.489 608 HD3 LYS 71 2HD LYS 71 -15.072 -0.448 16.931 609 HE2 LYS 71 1HE LYS 71 -14.052 -1.612 14.865 610 HE3 LYS 71 2HE LYS 71 -15.605 -2.324 14.494 611 HZ1 LYS 71 3HZ LYS 71 -16.522 0.025 14.261 612 HZ2 LYS 71 1HZ LYS 71 -14.992 0.629 14.416 613 HZ3 LYS 71 2HZ LYS 71 -15.384 -0.344 13.136 614 H LEU 72 H LEU 72 -12.210 -4.822 15.822 615 HA LEU 72 HA LEU 72 -14.186 -6.507 14.445 616 HG LEU 72 HG LEU 72 -12.830 -4.219 13.367 617 HB2 LEU 72 1HB LEU 72 -11.155 -6.164 14.086 618 HB3 LEU 72 2HB LEU 72 -12.079 -7.188 13.025 619 HD11 LEU 72 1HD1 LEU 72 -11.447 -3.785 11.305 620 HD12 LEU 72 2HD1 LEU 72 -10.463 -4.297 12.674 621 HD13 LEU 72 3HD1 LEU 72 -10.825 -5.450 11.365 622 HD21 LEU 72 3HD2 LEU 72 -13.886 -4.545 11.109 623 HD22 LEU 72 1HD2 LEU 72 -13.390 -6.254 11.091 624 HD23 LEU 72 2HD2 LEU 72 -14.579 -5.666 12.281 625 H GLY 73 H GLY 73 -11.292 -7.584 16.285 626 HA2 GLY 73 1HA GLY 73 -11.929 -9.637 17.744 627 HA3 GLY 73 2HA GLY 73 -12.411 -10.470 16.272 628 H TYR 74 H TYR 74 -9.605 -8.824 17.676 629 HA TYR 74 HA TYR 74 -7.723 -10.893 16.400 630 HD1 TYR 74 HD1 TYR 74 -5.825 -10.201 14.180 631 HD2 TYR 74 HD2 TYR 74 -9.336 -7.750 14.510 632 HE1 TYR 74 HE1 TYR 74 -6.282 -10.526 11.784 633 HE2 TYR 74 HE2 TYR 74 -9.800 -8.098 12.127 634 HH TYR 74 HH TYR 74 -9.217 -9.235 10.287 635 HB2 TYR 74 1HB TYR 74 -7.609 -7.809 16.381 636 HB3 TYR 74 2HB TYR 74 -6.182 -8.757 16.183 637 H LYS 75 H LYS 75 -5.997 -11.564 17.534 638 HA LYS 75 HA LYS 75 -5.917 -10.745 20.494 639 HB2 LYS 75 1HB LYS 75 -5.694 -12.941 21.192 640 HB3 LYS 75 2HB LYS 75 -6.946 -12.987 19.977 641 HG2 LYS 75 1HG LYS 75 -4.984 -13.723 18.310 642 HG3 LYS 75 2HG LYS 75 -4.031 -13.952 19.767 643 HD2 LYS 75 1HD LYS 75 -5.977 -15.540 20.580 644 HD3 LYS 75 2HD LYS 75 -6.600 -15.447 18.943 645 HE2 LYS 75 1HE LYS 75 -3.855 -16.556 19.861 646 HE3 LYS 75 2HE LYS 75 -5.214 -17.492 19.240 647 HZ1 LYS 75 3HZ LYS 75 -4.871 -16.093 17.048 648 HZ2 LYS 75 1HZ LYS 75 -3.449 -15.558 17.724 649 HZ3 LYS 75 2HZ LYS 75 -3.646 -17.171 17.383 650 H ASP 76 H ASP 76 -3.620 -11.959 17.957 651 HA ASP 76 HA ASP 76 -1.321 -11.515 19.824 652 HB2 ASP 76 1HB ASP 76 -1.224 -12.258 16.853 653 HB3 ASP 76 2HB ASP 76 0.091 -12.349 17.984 654 H ILE 77 H ILE 77 -1.645 -9.207 20.102 655 HA ILE 77 HA ILE 77 -1.357 -7.409 17.730 656 HB ILE 77 HB ILE 77 -1.834 -6.681 20.664 657 HG12 ILE 77 1HG1 ILE 77 -4.014 -6.694 18.471 658 HG13 ILE 77 2HG1 ILE 77 -3.692 -8.117 19.418 659 HG21 ILE 77 1HG2 ILE 77 -2.641 -4.450 19.811 660 HG22 ILE 77 2HG2 ILE 77 -0.956 -4.710 19.359 661 HG23 ILE 77 3HG2 ILE 77 -2.235 -4.914 18.142 662 HD11 ILE 77 3HD1 ILE 77 -4.624 -5.427 20.591 663 HD12 ILE 77 1HD1 ILE 77 -5.561 -6.932 20.429 664 HD13 ILE 77 2HD1 ILE 77 -4.193 -6.863 21.562 665 H ASN 78 H ASN 78 0.659 -7.365 16.970 666 HA ASN 78 HA ASN 78 3.054 -6.957 18.837 667 HB2 ASN 78 1HB ASN 78 2.863 -7.997 15.948 668 HB3 ASN 78 2HB ASN 78 4.372 -7.733 16.784 669 HD21 ASN 78 1HD2 ASN 78 4.552 -8.990 18.956 670 HD22 ASN 78 2HD2 ASN 78 3.794 -10.666 18.902 671 H VAL 79 H VAL 79 3.185 -4.845 19.177 672 HA VAL 79 HA VAL 79 2.897 -2.809 16.973 673 HB VAL 79 HB VAL 79 3.289 -2.446 19.999 674 HG11 VAL 79 1HG1 VAL 79 2.483 -0.319 17.898 675 HG12 VAL 79 2HG1 VAL 79 2.484 -0.087 19.665 676 HG13 VAL 79 3HG1 VAL 79 4.004 -0.366 18.815 677 HG21 VAL 79 3HG2 VAL 79 0.688 -2.302 18.322 678 HG22 VAL 79 1HG2 VAL 79 1.079 -3.505 19.564 679 HG23 VAL 79 2HG2 VAL 79 0.826 -1.820 20.032 680 H ARG 80 H ARG 80 4.539 -1.847 15.967 681 HA ARG 80 HA ARG 80 7.092 -1.255 17.505 682 HE ARG 80 HE ARG 80 9.701 -6.027 16.141 683 HB2 ARG 80 1HB ARG 80 7.141 -2.438 14.668 684 HB3 ARG 80 2HB ARG 80 8.437 -1.429 15.279 685 HG2 ARG 80 1HG ARG 80 8.753 -3.017 17.255 686 HG3 ARG 80 2HG ARG 80 7.536 -4.081 16.567 687 HD2 ARG 80 1HD ARG 80 8.900 -4.410 14.496 688 HD3 ARG 80 2HD ARG 80 10.087 -3.230 14.992 689 HH11 ARG 80 2HH1 ARG 80 11.433 -3.033 16.489 690 HH12 ARG 80 1HH1 ARG 80 12.750 -3.822 17.482 691 HH21 ARG 80 2HH2 ARG 80 11.204 -6.893 17.258 692 HH22 ARG 80 1HH2 ARG 80 12.599 -5.912 17.891 693 H VAL 81 H VAL 81 7.540 0.807 17.497 694 HA VAL 81 HA VAL 81 6.287 2.674 15.402 695 HB VAL 81 HB VAL 81 6.834 3.284 18.354 696 HG11 VAL 81 1HG1 VAL 81 5.643 5.089 16.134 697 HG12 VAL 81 2HG1 VAL 81 5.610 5.473 17.875 698 HG13 VAL 81 3HG1 VAL 81 7.152 5.349 17.026 699 HG21 VAL 81 3HG2 VAL 81 4.306 3.534 18.538 700 HG22 VAL 81 1HG2 VAL 81 4.138 2.890 16.882 701 HG23 VAL 81 2HG2 VAL 81 4.797 1.874 18.175 702 H ASN 82 H ASN 82 7.891 3.158 14.005 703 HA ASN 82 HA ASN 82 10.729 3.749 15.056 704 HB2 ASN 82 1HB ASN 82 10.461 2.082 13.165 705 HB3 ASN 82 2HB ASN 82 9.870 3.362 12.128 706 HD21 ASN 82 1HD2 ASN 82 11.468 4.445 10.966 707 HD22 ASN 82 2HD2 ASN 82 13.253 4.368 11.460 708 H GLY 83 H GLY 83 10.031 5.656 16.073 709 HA2 GLY 83 1HA GLY 83 9.977 8.093 16.189 710 HA3 GLY 83 2HA GLY 83 10.184 8.194 14.453 711 H THR 84 H THR 84 8.363 8.303 13.182 712 HA THR 84 HA THR 84 5.596 8.324 14.522 713 HB THR 84 HB THR 84 4.719 9.822 12.909 714 HG1 THR 84 HG1 THR 84 5.785 10.648 11.273 715 HG21 THR 84 3HG2 THR 84 5.823 11.957 13.397 716 HG22 THR 84 1HG2 THR 84 5.801 10.953 14.869 717 HG23 THR 84 2HG2 THR 84 7.303 11.131 13.931 718 H GLU 85 H GLU 85 7.430 6.315 12.597 719 HA GLU 85 HA GLU 85 5.256 5.330 10.746 720 HB2 GLU 85 1HB GLU 85 7.970 4.135 11.478 721 HB3 GLU 85 2HB GLU 85 6.921 3.514 10.228 722 HG2 GLU 85 1HG GLU 85 7.305 5.520 8.797 723 HG3 GLU 85 2HG GLU 85 8.208 6.326 10.096 724 H VAL 86 H VAL 86 3.576 4.658 12.047 725 HA VAL 86 HA VAL 86 4.065 2.779 14.405 726 HB VAL 86 HB VAL 86 1.642 4.389 13.461 727 HG11 VAL 86 1HG1 VAL 86 1.794 2.663 16.019 728 HG12 VAL 86 2HG1 VAL 86 0.498 3.820 15.612 729 HG13 VAL 86 3HG1 VAL 86 0.730 2.387 14.615 730 HG21 VAL 86 3HG2 VAL 86 1.923 5.773 15.471 731 HG22 VAL 86 1HG2 VAL 86 3.329 4.829 15.999 732 HG23 VAL 86 2HG2 VAL 86 3.416 5.812 14.518 733 H LYS 87 H LYS 87 4.391 0.718 13.602 734 HA LYS 87 HA LYS 87 2.293 -0.434 11.716 735 HB2 LYS 87 1HB LYS 87 3.554 -2.238 11.165 736 HB3 LYS 87 2HB LYS 87 4.503 -0.811 10.910 737 HG2 LYS 87 1HG LYS 87 6.109 -1.326 12.536 738 HG3 LYS 87 2HG LYS 87 5.043 -2.268 13.542 739 HD2 LYS 87 1HD LYS 87 5.944 -3.238 10.748 740 HD3 LYS 87 2HD LYS 87 6.855 -3.574 12.214 741 HE2 LYS 87 1HE LYS 87 4.913 -4.805 13.243 742 HE3 LYS 87 2HE LYS 87 3.878 -4.389 11.888 743 HZ1 LYS 87 3HZ LYS 87 5.096 -5.837 10.417 744 HZ2 LYS 87 1HZ LYS 87 6.421 -5.934 11.405 745 HZ3 LYS 87 2HZ LYS 87 5.028 -6.729 11.805 746 H ILE 88 H ILE 88 0.548 -1.189 12.620 747 HA ILE 88 HA ILE 88 0.723 -2.741 15.270 748 HB ILE 88 HB ILE 88 -1.850 -1.847 13.902 749 HG12 ILE 88 1HG1 ILE 88 -0.813 0.266 14.293 750 HG13 ILE 88 2HG1 ILE 88 -2.054 0.039 15.499 751 HG21 ILE 88 1HG2 ILE 88 -2.842 -2.120 16.213 752 HG22 ILE 88 2HG2 ILE 88 -2.162 -3.633 15.598 753 HG23 ILE 88 3HG2 ILE 88 -1.276 -2.702 16.819 754 HD11 ILE 88 3HD1 ILE 88 0.983 -0.290 16.007 755 HD12 ILE 88 1HD1 ILE 88 -0.045 1.068 16.509 756 HD13 ILE 88 2HD1 ILE 88 -0.289 -0.534 17.234 757 H GLU 89 H GLU 89 1.437 -4.748 14.673 758 HA GLU 89 HA GLU 89 0.170 -6.238 12.349 759 HB2 GLU 89 1HB GLU 89 2.548 -6.147 12.416 760 HB3 GLU 89 2HB GLU 89 2.652 -6.778 14.047 761 HG2 GLU 89 1HG GLU 89 1.946 -9.022 13.327 762 HG3 GLU 89 2HG GLU 89 1.396 -8.445 11.771 763 H VAL 90 H VAL 90 -1.606 -7.321 12.727 764 HA VAL 90 HA VAL 90 -2.059 -8.648 15.454 765 HB VAL 90 HB VAL 90 -4.418 -8.288 15.206 766 HG11 VAL 90 1HG1 VAL 90 -4.477 -5.909 15.852 767 HG12 VAL 90 2HG1 VAL 90 -3.019 -6.679 16.503 768 HG13 VAL 90 3HG1 VAL 90 -2.888 -5.642 15.079 769 HG21 VAL 90 3HG2 VAL 90 -3.926 -6.425 12.806 770 HG22 VAL 90 1HG2 VAL 90 -4.679 -8.020 12.695 771 HG23 VAL 90 2HG2 VAL 90 -5.481 -6.755 13.622 772 H ARG 91 H ARG 91 -2.292 -10.735 15.530 773 HA ARG 91 HA ARG 91 -3.308 -12.253 13.054 774 HE ARG 91 HE ARG 91 -0.154 -14.470 16.214 775 HB2 ARG 91 1HB ARG 91 -2.123 -13.646 15.474 776 HB3 ARG 91 2HB ARG 91 -2.539 -14.334 13.934 777 HG2 ARG 91 1HG ARG 91 -0.761 -12.922 12.803 778 HG3 ARG 91 2HG ARG 91 -0.266 -12.278 14.351 779 HD2 ARG 91 1HD ARG 91 -0.151 -15.268 13.543 780 HD3 ARG 91 2HD ARG 91 1.183 -14.114 13.481 781 HH11 ARG 91 2HH1 ARG 91 2.589 -15.294 14.241 782 HH12 ARG 91 1HH1 ARG 91 3.571 -15.765 15.712 783 HH21 ARG 91 2HH2 ARG 91 0.923 -15.002 17.827 784 HH22 ARG 91 1HH2 ARG 91 2.660 -15.596 17.658 785 H VAL 92 H VAL 92 -5.107 -13.470 13.065 786 HA VAL 92 HA VAL 92 -7.323 -12.761 14.771 787 HB VAL 92 HB VAL 92 -7.099 -15.209 12.925 788 HG11 VAL 92 1HG1 VAL 92 -9.101 -15.523 14.400 789 HG12 VAL 92 2HG1 VAL 92 -9.664 -13.872 14.046 790 HG13 VAL 92 3HG1 VAL 92 -9.632 -15.110 12.769 791 HG21 VAL 92 3HG2 VAL 92 -6.787 -12.996 11.685 792 HG22 VAL 92 1HG2 VAL 92 -8.271 -13.823 11.204 793 HG23 VAL 92 2HG2 VAL 92 -8.347 -12.436 12.314 Start of MODEL 18 1 H HIS -1 H HIS -1 7.556 16.809 4.791 2 HA HIS -1 HA HIS -1 5.679 16.337 3.324 3 HD2 HIS -1 HD2 HIS -1 9.206 14.463 5.022 4 HE1 HIS -1 HE1 HIS -1 9.533 14.243 0.868 5 HE2 HIS -1 HE2 HIS -1 10.963 14.327 3.014 6 HB2 HIS -1 1HB HIS -1 6.548 14.062 5.216 7 HB3 HIS -1 2HB HIS -1 5.674 13.810 3.727 8 H MET 0 H MET 0 3.897 17.658 4.163 9 HA MET 0 HA MET 0 2.042 16.498 6.189 10 HB2 MET 0 1HB MET 0 1.798 18.975 4.389 11 HB3 MET 0 2HB MET 0 0.593 18.497 5.564 12 HG2 MET 0 1HG MET 0 2.281 18.660 7.449 13 HG3 MET 0 2HG MET 0 3.510 19.181 6.292 14 HE1 MET 0 3HE MET 0 0.818 20.238 8.699 15 HE2 MET 0 1HE MET 0 0.018 21.667 7.978 16 HE3 MET 0 2HE MET 0 -0.310 20.033 7.326 17 H LYS 1 H LYS 1 1.989 14.452 4.881 18 HA LYS 1 HA LYS 1 -0.858 14.211 4.006 19 HB2 LYS 1 1HB LYS 1 0.316 14.781 1.868 20 HB3 LYS 1 2HB LYS 1 1.329 13.357 1.999 21 HG2 LYS 1 1HG LYS 1 -0.528 11.843 1.579 22 HG3 LYS 1 2HG LYS 1 -1.737 13.035 2.012 23 HD2 LYS 1 1HD LYS 1 -1.123 14.451 -0.020 24 HD3 LYS 1 2HD LYS 1 0.102 13.282 -0.454 25 HE2 LYS 1 1HE LYS 1 -1.810 12.922 -1.896 26 HE3 LYS 1 2HE LYS 1 -1.645 11.511 -0.863 27 HZ1 LYS 1 3HZ LYS 1 -3.405 13.482 0.364 28 HZ2 LYS 1 1HZ LYS 1 -3.984 13.032 -1.114 29 HZ3 LYS 1 2HZ LYS 1 -3.699 11.894 0.039 30 H VAL 2 H VAL 2 -1.635 12.464 4.996 31 HA VAL 2 HA VAL 2 0.280 10.792 6.638 32 HB VAL 2 HB VAL 2 -2.796 10.947 6.672 33 HG11 VAL 2 1HG1 VAL 2 -2.667 9.840 8.924 34 HG12 VAL 2 2HG1 VAL 2 -2.010 8.784 7.668 35 HG13 VAL 2 3HG1 VAL 2 -0.901 9.655 8.750 36 HG21 VAL 2 3HG2 VAL 2 -0.805 12.314 8.611 37 HG22 VAL 2 1HG2 VAL 2 -1.843 13.140 7.429 38 HG23 VAL 2 2HG2 VAL 2 -2.578 12.286 8.787 39 H ASP 3 H ASP 3 1.077 9.005 5.624 40 HA ASP 3 HA ASP 3 -0.494 7.334 3.682 41 HB2 ASP 3 1HB ASP 3 2.035 7.568 3.565 42 HB3 ASP 3 2HB ASP 3 2.171 6.670 5.071 43 H ILE 4 H ILE 4 -2.155 6.107 4.421 44 HA ILE 4 HA ILE 4 -1.711 4.394 6.940 45 HB ILE 4 HB ILE 4 -4.442 4.822 5.623 46 HG12 ILE 4 1HG1 ILE 4 -4.860 6.159 7.966 47 HG13 ILE 4 2HG1 ILE 4 -3.170 6.561 7.784 48 HG21 ILE 4 1HG2 ILE 4 -5.311 3.871 7.765 49 HG22 ILE 4 2HG2 ILE 4 -4.176 2.756 6.992 50 HG23 ILE 4 3HG2 ILE 4 -3.653 3.707 8.397 51 HD11 ILE 4 3HD1 ILE 4 -5.294 7.081 5.586 52 HD12 ILE 4 1HD1 ILE 4 -4.772 8.287 6.789 53 HD13 ILE 4 2HD1 ILE 4 -3.625 7.667 5.593 54 H THR 5 H THR 5 -0.260 3.065 5.698 55 HA THR 5 HA THR 5 -1.303 1.583 3.315 56 HB THR 5 HB THR 5 1.381 1.442 4.757 57 HG1 THR 5 HG1 THR 5 1.218 3.235 3.432 58 HG21 THR 5 3HG2 THR 5 0.990 -0.854 3.752 59 HG22 THR 5 1HG2 THR 5 0.527 -0.094 2.203 60 HG23 THR 5 2HG2 THR 5 2.188 0.064 2.812 61 H ILE 6 H ILE 6 -2.620 -0.017 3.439 62 HA ILE 6 HA ILE 6 -2.750 -1.861 5.901 63 HB ILE 6 HB ILE 6 -4.804 -1.740 3.639 64 HG12 ILE 6 1HG1 ILE 6 -4.911 0.484 4.549 65 HG13 ILE 6 2HG1 ILE 6 -6.352 -0.420 4.913 66 HG21 ILE 6 1HG2 ILE 6 -4.865 -3.850 4.955 67 HG22 ILE 6 2HG2 ILE 6 -5.070 -2.935 6.466 68 HG23 ILE 6 3HG2 ILE 6 -6.336 -2.905 5.217 69 HD11 ILE 6 3HD1 ILE 6 -5.595 -0.701 7.321 70 HD12 ILE 6 1HD1 ILE 6 -4.090 0.180 6.920 71 HD13 ILE 6 2HD1 ILE 6 -5.666 1.003 6.839 72 H LYS 7 H LYS 7 -1.336 -3.550 5.564 73 HA LYS 7 HA LYS 7 -1.425 -4.983 2.851 74 HB2 LYS 7 1HB LYS 7 0.782 -4.139 3.428 75 HB3 LYS 7 2HB LYS 7 0.778 -5.040 4.935 76 HG2 LYS 7 1HG LYS 7 0.499 -7.193 3.527 77 HG3 LYS 7 2HG LYS 7 0.647 -6.247 2.078 78 HD2 LYS 7 1HD LYS 7 2.854 -6.263 4.261 79 HD3 LYS 7 2HD LYS 7 2.783 -7.508 3.053 80 HE2 LYS 7 1HE LYS 7 2.937 -4.504 2.236 81 HE3 LYS 7 2HE LYS 7 4.367 -5.464 2.602 82 HZ1 LYS 7 3HZ LYS 7 3.555 -5.528 0.105 83 HZ2 LYS 7 1HZ LYS 7 3.865 -7.051 0.836 84 HZ3 LYS 7 2HZ LYS 7 2.345 -6.525 0.638 85 H ILE 8 H ILE 8 -2.880 -6.519 2.827 86 HA ILE 8 HA ILE 8 -3.576 -8.122 5.335 87 HB ILE 8 HB ILE 8 -4.904 -8.397 2.605 88 HG12 ILE 8 1HG1 ILE 8 -6.056 -6.823 4.990 89 HG13 ILE 8 2HG1 ILE 8 -5.268 -6.068 3.621 90 HG21 ILE 8 1HG2 ILE 8 -6.701 -9.628 3.853 91 HG22 ILE 8 2HG2 ILE 8 -5.145 -10.410 4.133 92 HG23 ILE 8 3HG2 ILE 8 -5.844 -9.378 5.393 93 HD11 ILE 8 3HD1 ILE 8 -7.888 -7.677 3.451 94 HD12 ILE 8 1HD1 ILE 8 -7.647 -5.940 3.179 95 HD13 ILE 8 2HD1 ILE 8 -6.979 -7.113 2.024 96 H GLN 9 H GLN 9 -2.161 -9.709 5.720 97 HA GLN 9 HA GLN 9 -0.497 -10.911 3.444 98 HB2 GLN 9 1HB GLN 9 0.568 -9.623 5.308 99 HB3 GLN 9 2HB GLN 9 -0.019 -10.795 6.475 100 HG2 GLN 9 1HG GLN 9 1.400 -12.599 5.378 101 HG3 GLN 9 2HG GLN 9 1.881 -11.468 4.121 102 HE21 GLN 9 1HE2 GLN 9 2.076 -11.954 7.638 103 HE22 GLN 9 2HE2 GLN 9 3.600 -10.955 7.807 104 H ARG 10 H ARG 10 -1.925 -12.471 2.628 105 HA ARG 10 HA ARG 10 -3.124 -14.553 4.534 106 HE ARG 10 HE ARG 10 -6.711 -14.495 1.309 107 HB2 ARG 10 1HB ARG 10 -3.675 -13.980 1.571 108 HB3 ARG 10 2HB ARG 10 -4.406 -15.270 2.486 109 HG2 ARG 10 1HG ARG 10 -4.771 -12.720 3.953 110 HG3 ARG 10 2HG ARG 10 -5.254 -12.472 2.306 111 HD2 ARG 10 1HD ARG 10 -6.320 -14.801 4.070 112 HD3 ARG 10 2HD ARG 10 -7.048 -13.191 4.014 113 HH11 ARG 10 2HH1 ARG 10 -8.939 -14.040 3.996 114 HH12 ARG 10 1HH1 ARG 10 -10.384 -14.180 2.907 115 HH21 ARG 10 2HH2 ARG 10 -8.425 -14.823 0.139 116 HH22 ARG 10 1HH2 ARG 10 -10.089 -14.718 0.881 117 H ASP 11 H ASP 11 -0.963 -15.280 4.962 118 HA ASP 11 HA ASP 11 0.821 -16.829 4.829 119 HB2 ASP 11 1HB ASP 11 -1.303 -18.554 3.454 120 HB3 ASP 11 2HB ASP 11 0.179 -19.147 4.181 121 H GLY 12 H GLY 12 1.656 -15.122 3.261 122 HA2 GLY 12 1HA GLY 12 3.411 -15.087 1.400 123 HA3 GLY 12 2HA GLY 12 2.597 -16.410 0.607 124 H GLN 13 H GLN 13 -0.090 -15.423 0.614 125 HA GLN 13 HA GLN 13 0.152 -13.562 -1.725 126 HB2 GLN 13 1HB GLN 13 -1.458 -15.607 -1.419 127 HB3 GLN 13 2HB GLN 13 -2.478 -14.560 -0.477 128 HG2 GLN 13 1HG GLN 13 -1.578 -13.998 -3.400 129 HG3 GLN 13 2HG GLN 13 -2.997 -14.919 -3.002 130 HE21 GLN 13 1HE2 GLN 13 -4.874 -13.810 -2.368 131 HE22 GLN 13 2HE2 GLN 13 -4.960 -11.982 -2.603 132 H GLU 14 H GLU 14 0.766 -11.577 -1.148 133 HA GLU 14 HA GLU 14 -0.368 -10.225 1.302 134 HB2 GLU 14 1HB GLU 14 1.676 -8.950 1.372 135 HB3 GLU 14 2HB GLU 14 1.958 -10.669 1.408 136 HG2 GLU 14 1HG GLU 14 2.785 -10.664 -0.940 137 HG3 GLU 14 2HG GLU 14 2.417 -8.943 -1.126 138 H ILE 15 H ILE 15 -2.168 -9.153 0.770 139 HA ILE 15 HA ILE 15 -2.322 -7.409 -1.686 140 HB ILE 15 HB ILE 15 -4.425 -7.655 0.524 141 HG12 ILE 15 1HG1 ILE 15 -5.641 -9.044 -1.487 142 HG13 ILE 15 2HG1 ILE 15 -3.995 -9.472 -1.903 143 HG21 ILE 15 1HG2 ILE 15 -4.653 -6.607 -2.369 144 HG22 ILE 15 2HG2 ILE 15 -5.999 -6.755 -1.204 145 HG23 ILE 15 3HG2 ILE 15 -4.683 -5.624 -0.888 146 HD11 ILE 15 3HD1 ILE 15 -5.182 -11.140 -0.358 147 HD12 ILE 15 1HD1 ILE 15 -3.703 -10.524 0.393 148 HD13 ILE 15 2HD1 ILE 15 -5.295 -9.898 0.898 149 H GLU 16 H GLU 16 -0.735 -5.827 -1.323 150 HA GLU 16 HA GLU 16 -0.981 -3.936 1.019 151 HB2 GLU 16 1HB GLU 16 0.940 -2.736 0.151 152 HB3 GLU 16 2HB GLU 16 1.236 -4.403 0.531 153 HG2 GLU 16 1HG GLU 16 1.271 -4.992 -1.950 154 HG3 GLU 16 2HG GLU 16 0.898 -3.320 -2.356 155 H ILE 17 H ILE 17 -2.309 -2.338 1.038 156 HA ILE 17 HA ILE 17 -2.707 -0.651 -1.507 157 HB ILE 17 HB ILE 17 -5.020 -0.087 -0.857 158 HG12 ILE 17 1HG1 ILE 17 -4.934 -2.487 1.073 159 HG13 ILE 17 2HG1 ILE 17 -4.910 -0.805 1.573 160 HG21 ILE 17 1HG2 ILE 17 -6.055 -2.086 -1.887 161 HG22 ILE 17 2HG2 ILE 17 -4.512 -1.729 -2.677 162 HG23 ILE 17 3HG2 ILE 17 -4.619 -3.072 -1.521 163 HD11 ILE 17 3HD1 ILE 17 -7.200 -1.658 1.800 164 HD12 ILE 17 1HD1 ILE 17 -7.180 -0.405 0.533 165 HD13 ILE 17 2HD1 ILE 17 -7.266 -2.131 0.090 166 H ASP 18 H ASP 18 -1.981 1.309 -1.360 167 HA ASP 18 HA ASP 18 -1.269 2.496 1.288 168 HB2 ASP 18 1HB ASP 18 0.260 3.836 0.039 169 HB3 ASP 18 2HB ASP 18 0.444 2.155 -0.361 170 H ILE 19 H ILE 19 -3.151 3.336 2.172 171 HA ILE 19 HA ILE 19 -4.880 5.241 0.566 172 HB ILE 19 HB ILE 19 -5.221 4.126 3.388 173 HG12 ILE 19 1HG1 ILE 19 -6.915 3.551 0.864 174 HG13 ILE 19 2HG1 ILE 19 -5.548 2.556 1.310 175 HG21 ILE 19 1HG2 ILE 19 -7.149 5.976 1.812 176 HG22 ILE 19 2HG2 ILE 19 -7.574 5.117 3.309 177 HG23 ILE 19 3HG2 ILE 19 -6.324 6.351 3.341 178 HD11 ILE 19 3HD1 ILE 19 -6.592 1.934 3.494 179 HD12 ILE 19 1HD1 ILE 19 -8.032 2.908 3.104 180 HD13 ILE 19 2HD1 ILE 19 -7.620 1.497 2.113 181 H ARG 20 H ARG 20 -3.499 6.928 0.223 182 HA ARG 20 HA ARG 20 -2.171 8.360 2.505 183 HE ARG 20 HE ARG 20 1.424 8.710 -0.791 184 HB2 ARG 20 1HB ARG 20 -1.895 8.556 -0.533 185 HB3 ARG 20 2HB ARG 20 -0.985 9.562 0.577 186 HG2 ARG 20 1HG ARG 20 0.393 7.817 1.381 187 HG3 ARG 20 2HG ARG 20 -0.836 6.607 1.216 188 HD2 ARG 20 1HD ARG 20 0.756 5.974 -0.320 189 HD3 ARG 20 2HD ARG 20 -0.586 6.576 -1.293 190 HH11 ARG 20 2HH1 ARG 20 1.098 5.696 -2.654 191 HH12 ARG 20 1HH1 ARG 20 2.418 6.254 -3.793 192 HH21 ARG 20 2HH2 ARG 20 2.882 9.247 -2.166 193 HH22 ARG 20 1HH2 ARG 20 3.350 8.132 -3.533 194 H VAL 21 H VAL 21 -3.234 9.852 3.594 195 HA VAL 21 HA VAL 21 -5.515 11.417 2.254 196 HB VAL 21 HB VAL 21 -5.081 10.389 5.118 197 HG11 VAL 21 1HG1 VAL 21 -7.430 11.168 5.651 198 HG12 VAL 21 2HG1 VAL 21 -6.344 12.531 5.362 199 HG13 VAL 21 3HG1 VAL 21 -7.492 12.029 4.098 200 HG21 VAL 21 3HG2 VAL 21 -7.108 8.967 4.638 201 HG22 VAL 21 1HG2 VAL 21 -7.232 9.656 3.000 202 HG23 VAL 21 2HG2 VAL 21 -5.841 8.642 3.446 203 H SER 22 H SER 22 -5.754 13.583 2.502 204 HA SER 22 HA SER 22 -4.093 15.174 4.412 205 HG SER 22 HG SER 22 -3.923 17.576 2.552 206 HB2 SER 22 1HB SER 22 -2.458 15.136 2.573 207 HB3 SER 22 2HB SER 22 -3.680 15.612 1.383 208 H THR 23 H THR 23 -6.149 15.471 5.292 209 HA THR 23 HA THR 23 -7.625 17.863 4.334 210 HB THR 23 HB THR 23 -8.551 16.568 2.621 211 HG1 THR 23 HG1 THR 23 -10.113 17.758 3.605 212 HG21 THR 23 3HG2 THR 23 -8.095 14.213 3.416 213 HG22 THR 23 1HG2 THR 23 -9.487 14.328 4.519 214 HG23 THR 23 2HG2 THR 23 -9.701 14.465 2.750 215 H GLY 24 H GLY 24 -8.730 15.028 6.229 216 HA2 GLY 24 1HA GLY 24 -8.924 16.012 8.894 217 HA3 GLY 24 2HA GLY 24 -10.149 16.967 8.072 218 H LYS 25 H LYS 25 -11.514 15.421 6.520 219 HA LYS 25 HA LYS 25 -12.480 12.985 8.139 220 HB2 LYS 25 1HB LYS 25 -13.868 14.565 5.897 221 HB3 LYS 25 2HB LYS 25 -14.456 13.021 6.476 222 HG2 LYS 25 1HG LYS 25 -14.150 15.487 8.304 223 HG3 LYS 25 2HG LYS 25 -15.620 15.062 7.439 224 HD2 LYS 25 1HD LYS 25 -15.649 12.788 8.623 225 HD3 LYS 25 2HD LYS 25 -14.243 13.276 9.563 226 HE2 LYS 25 1HE LYS 25 -15.559 15.232 10.546 227 HE3 LYS 25 2HE LYS 25 -16.968 14.764 9.577 228 HZ1 LYS 25 3HZ LYS 25 -15.664 13.001 11.679 229 HZ2 LYS 25 1HZ LYS 25 -17.218 13.588 11.737 230 HZ3 LYS 25 2HZ LYS 25 -16.697 12.414 10.674 231 H GLU 26 H GLU 26 -13.087 12.428 4.803 232 HA GLU 26 HA GLU 26 -12.503 10.712 3.497 233 HB2 GLU 26 1HB GLU 26 -11.075 12.813 3.203 234 HB3 GLU 26 2HB GLU 26 -9.744 11.925 3.940 235 HG2 GLU 26 1HG GLU 26 -10.031 10.180 2.062 236 HG3 GLU 26 2HG GLU 26 -11.291 11.227 1.375 237 H LEU 27 H LEU 27 -10.178 10.579 6.016 238 HA LEU 27 HA LEU 27 -9.573 7.651 5.877 239 HG LEU 27 HG LEU 27 -9.109 7.500 9.215 240 HB2 LEU 27 1HB LEU 27 -7.922 9.139 6.889 241 HB3 LEU 27 2HB LEU 27 -9.069 9.718 8.078 242 HD11 LEU 27 1HD1 LEU 27 -8.688 5.919 7.339 243 HD12 LEU 27 2HD1 LEU 27 -7.069 6.596 7.071 244 HD13 LEU 27 3HD1 LEU 27 -7.435 5.703 8.568 245 HD21 LEU 27 3HD2 LEU 27 -6.778 7.573 10.116 246 HD22 LEU 27 1HD2 LEU 27 -6.241 8.556 8.734 247 HD23 LEU 27 2HD2 LEU 27 -7.411 9.215 9.902 248 H GLU 28 H GLU 28 -11.791 9.591 7.978 249 HA GLU 28 HA GLU 28 -13.117 7.430 9.351 250 HB2 GLU 28 1HB GLU 28 -13.315 9.921 9.762 251 HB3 GLU 28 2HB GLU 28 -14.320 10.079 8.326 252 HG2 GLU 28 1HG GLU 28 -16.090 8.598 9.433 253 HG3 GLU 28 2HG GLU 28 -15.042 8.409 10.842 254 H ARG 29 H ARG 29 -13.857 8.585 6.090 255 HA ARG 29 HA ARG 29 -16.111 6.666 5.554 256 HE ARG 29 HE ARG 29 -17.327 11.929 3.478 257 HB2 ARG 29 1HB ARG 29 -14.390 8.351 3.628 258 HB3 ARG 29 2HB ARG 29 -15.697 7.304 3.109 259 HG2 ARG 29 1HG ARG 29 -17.365 8.617 4.467 260 HG3 ARG 29 2HG ARG 29 -16.090 9.688 5.030 261 HD2 ARG 29 1HD ARG 29 -15.593 10.432 2.686 262 HD3 ARG 29 2HD ARG 29 -16.776 9.337 2.016 263 HH11 ARG 29 2HH1 ARG 29 -18.797 8.988 2.369 264 HH12 ARG 29 1HH1 ARG 29 -20.462 9.745 2.303 265 HH21 ARG 29 2HH2 ARG 29 -19.231 12.749 3.461 266 HH22 ARG 29 1HH2 ARG 29 -20.671 11.774 2.923 267 H ALA 30 H ALA 30 -12.623 6.684 4.567 268 HA ALA 30 HA ALA 30 -12.623 3.963 3.471 269 HB1 ALA 30 3HB ALA 30 -10.146 4.161 3.645 270 HB2 ALA 30 1HB ALA 30 -10.840 5.673 3.025 271 HB3 ALA 30 2HB ALA 30 -10.297 5.574 4.719 272 H LEU 31 H LEU 31 -11.887 5.003 6.838 273 HA LEU 31 HA LEU 31 -11.311 2.428 8.015 274 HG LEU 31 HG LEU 31 -12.292 2.609 10.754 275 HB2 LEU 31 1HB LEU 31 -11.159 4.856 9.001 276 HB3 LEU 31 2HB LEU 31 -12.872 4.744 9.305 277 HD11 LEU 31 1HD1 LEU 31 -9.956 2.202 9.915 278 HD12 LEU 31 2HD1 LEU 31 -9.447 3.823 10.445 279 HD13 LEU 31 3HD1 LEU 31 -9.907 2.598 11.645 280 HD21 LEU 31 3HD2 LEU 31 -12.925 4.821 11.748 281 HD22 LEU 31 1HD2 LEU 31 -11.667 4.035 12.718 282 HD23 LEU 31 2HD2 LEU 31 -11.239 5.385 11.635 283 H GLN 32 H GLN 32 -14.565 3.860 7.552 284 HA GLN 32 HA GLN 32 -16.122 1.637 8.682 285 HB2 GLN 32 1HB GLN 32 -16.882 4.041 8.236 286 HB3 GLN 32 2HB GLN 32 -16.846 3.706 6.511 287 HG2 GLN 32 1HG GLN 32 -18.598 1.823 6.947 288 HG3 GLN 32 2HG GLN 32 -18.652 2.334 8.623 289 HE21 GLN 32 1HE2 GLN 32 -19.434 3.323 5.325 290 HE22 GLN 32 2HE2 GLN 32 -20.585 4.652 5.893 291 H GLU 33 H GLU 33 -15.169 2.253 5.248 292 HA GLU 33 HA GLU 33 -16.176 -0.362 4.280 293 HB2 GLU 33 1HB GLU 33 -15.895 1.628 2.799 294 HB3 GLU 33 2HB GLU 33 -14.149 1.501 2.948 295 HG2 GLU 33 1HG GLU 33 -14.946 0.510 0.799 296 HG3 GLU 33 2HG GLU 33 -14.190 -0.736 1.779 297 H LEU 34 H LEU 34 -12.898 0.620 5.430 298 HA LEU 34 HA LEU 34 -11.639 -2.004 5.050 299 HG LEU 34 HG LEU 34 -10.445 0.705 4.632 300 HB2 LEU 34 1HB LEU 34 -11.072 0.197 7.101 301 HB3 LEU 34 2HB LEU 34 -10.094 -1.247 6.991 302 HD11 LEU 34 1HD1 LEU 34 -9.320 1.814 6.578 303 HD12 LEU 34 2HD1 LEU 34 -8.164 0.466 6.710 304 HD13 LEU 34 3HD1 LEU 34 -8.150 1.526 5.282 305 HD21 LEU 34 3HD2 LEU 34 -8.437 -1.613 5.068 306 HD22 LEU 34 1HD2 LEU 34 -9.751 -1.588 3.869 307 HD23 LEU 34 2HD2 LEU 34 -8.404 -0.456 3.712 308 H GLU 35 H GLU 35 -13.410 -0.862 8.002 309 HA GLU 35 HA GLU 35 -13.357 -3.375 9.471 310 HB2 GLU 35 1HB GLU 35 -14.168 -1.157 10.325 311 HB3 GLU 35 2HB GLU 35 -15.570 -1.225 9.280 312 HG2 GLU 35 1HG GLU 35 -16.485 -3.192 10.510 313 HG3 GLU 35 2HG GLU 35 -14.996 -3.372 11.423 314 H LYS 36 H LYS 36 -15.786 -2.317 7.109 315 HA LYS 36 HA LYS 36 -17.301 -4.814 6.823 316 HB2 LYS 36 1HB LYS 36 -18.142 -2.607 6.154 317 HB3 LYS 36 2HB LYS 36 -16.789 -2.337 5.076 318 HG2 LYS 36 1HG LYS 36 -17.588 -4.074 3.498 319 HG3 LYS 36 2HG LYS 36 -18.993 -4.410 4.526 320 HD2 LYS 36 1HD LYS 36 -19.882 -2.100 4.178 321 HD3 LYS 36 2HD LYS 36 -18.342 -1.544 3.566 322 HE2 LYS 36 1HE LYS 36 -19.625 -1.632 1.634 323 HE3 LYS 36 2HE LYS 36 -18.524 -2.978 1.511 324 HZ1 LYS 36 3HZ LYS 36 -21.405 -3.192 2.431 325 HZ2 LYS 36 1HZ LYS 36 -20.844 -3.701 0.966 326 HZ3 LYS 36 2HZ LYS 36 -20.375 -4.468 2.351 327 H ALA 37 H ALA 37 -14.625 -3.643 4.654 328 HA ALA 37 HA ALA 37 -14.473 -6.117 3.127 329 HB1 ALA 37 3HB ALA 37 -13.646 -3.918 2.309 330 HB2 ALA 37 1HB ALA 37 -12.347 -3.915 3.527 331 HB3 ALA 37 2HB ALA 37 -12.352 -5.133 2.228 332 H LEU 38 H LEU 38 -12.476 -5.217 6.019 333 HA LEU 38 HA LEU 38 -10.842 -7.690 5.934 334 HG LEU 38 HG LEU 38 -10.142 -4.583 6.671 335 HB2 LEU 38 1HB LEU 38 -11.467 -5.900 8.348 336 HB3 LEU 38 2HB LEU 38 -10.270 -7.177 8.322 337 HD11 LEU 38 1HD1 LEU 38 -8.470 -5.504 9.101 338 HD12 LEU 38 2HD1 LEU 38 -8.249 -3.999 8.180 339 HD13 LEU 38 3HD1 LEU 38 -9.734 -4.249 9.111 340 HD21 LEU 38 3HD2 LEU 38 -9.039 -6.319 5.350 341 HD22 LEU 38 1HD2 LEU 38 -7.798 -5.283 6.069 342 HD23 LEU 38 2HD2 LEU 38 -8.115 -6.896 6.752 343 H ALA 39 H ALA 39 -13.951 -7.006 7.600 344 HA ALA 39 HA ALA 39 -14.236 -9.759 8.719 345 HB1 ALA 39 3HB ALA 39 -15.427 -7.787 9.691 346 HB2 ALA 39 1HB ALA 39 -16.307 -7.526 8.169 347 HB3 ALA 39 2HB ALA 39 -16.600 -8.996 9.128 348 H ARG 40 H ARG 40 -15.679 -8.190 5.790 349 HA ARG 40 HA ARG 40 -17.025 -10.643 4.902 350 HE ARG 40 HE ARG 40 -19.201 -10.066 0.434 351 HB2 ARG 40 1HB ARG 40 -17.753 -8.313 4.454 352 HB3 ARG 40 2HB ARG 40 -16.403 -8.032 3.388 353 HG2 ARG 40 1HG ARG 40 -18.387 -10.330 2.814 354 HG3 ARG 40 2HG ARG 40 -18.876 -8.667 2.524 355 HD2 ARG 40 1HD ARG 40 -16.927 -8.304 0.963 356 HD3 ARG 40 2HD ARG 40 -16.390 -9.978 1.231 357 HH11 ARG 40 2HH1 ARG 40 -16.102 -9.377 -0.988 358 HH12 ARG 40 1HH1 ARG 40 -16.677 -9.843 -2.661 359 HH21 ARG 40 2HH2 ARG 40 -19.835 -10.557 -1.482 360 HH22 ARG 40 1HH2 ARG 40 -18.701 -10.473 -2.903 361 H ALA 41 H ALA 41 -13.843 -9.406 3.895 362 HA ALA 41 HA ALA 41 -13.366 -11.664 1.964 363 HB1 ALA 41 3HB ALA 41 -12.199 -9.452 1.720 364 HB2 ALA 41 1HB ALA 41 -11.374 -9.697 3.278 365 HB3 ALA 41 2HB ALA 41 -11.027 -10.771 1.905 366 H GLY 42 H GLY 42 -12.704 -11.219 5.420 367 HA2 GLY 42 1HA GLY 42 -12.170 -13.024 7.020 368 HA3 GLY 42 2HA GLY 42 -11.787 -14.115 5.709 369 H ALA 43 H ALA 43 -10.582 -11.034 7.096 370 HA ALA 43 HA ALA 43 -7.830 -11.518 6.167 371 HB1 ALA 43 3HB ALA 43 -8.972 -9.306 6.198 372 HB2 ALA 43 1HB ALA 43 -9.000 -9.333 7.990 373 HB3 ALA 43 2HB ALA 43 -7.462 -9.306 7.111 374 H ARG 44 H ARG 44 -7.197 -13.452 7.235 375 HA ARG 44 HA ARG 44 -6.883 -13.740 10.079 376 HE ARG 44 HE ARG 44 -3.187 -18.064 10.869 377 HB2 ARG 44 1HB ARG 44 -6.845 -15.522 8.263 378 HB3 ARG 44 2HB ARG 44 -5.173 -15.142 7.949 379 HG2 ARG 44 1HG ARG 44 -6.334 -16.109 10.669 380 HG3 ARG 44 2HG ARG 44 -5.770 -17.186 9.437 381 HD2 ARG 44 1HD ARG 44 -3.611 -15.199 10.190 382 HD3 ARG 44 2HD ARG 44 -4.251 -16.025 11.573 383 HH11 ARG 44 2HH1 ARG 44 -3.395 -15.978 8.115 384 HH12 ARG 44 1HH1 ARG 44 -2.549 -17.253 7.054 385 HH21 ARG 44 2HH2 ARG 44 -1.995 -19.322 9.669 386 HH22 ARG 44 1HH2 ARG 44 -1.574 -18.819 7.943 387 H ASN 45 H ASN 45 -4.490 -12.296 7.895 388 HA ASN 45 HA ASN 45 -3.086 -11.199 10.325 389 HB2 ASN 45 1HB ASN 45 -1.592 -13.002 9.486 390 HB3 ASN 45 2HB ASN 45 -1.522 -12.238 7.911 391 HD21 ASN 45 1HD2 ASN 45 0.632 -12.836 9.929 392 HD22 ASN 45 2HD2 ASN 45 1.474 -11.189 10.076 393 H VAL 46 H VAL 46 -2.992 -9.052 10.234 394 HA VAL 46 HA VAL 46 -3.062 -7.591 7.562 395 HB VAL 46 HB VAL 46 -4.771 -6.600 9.908 396 HG11 VAL 46 1HG1 VAL 46 -3.913 -4.790 8.325 397 HG12 VAL 46 2HG1 VAL 46 -4.670 -5.630 6.959 398 HG13 VAL 46 3HG1 VAL 46 -5.676 -4.946 8.261 399 HG21 VAL 46 3HG2 VAL 46 -5.824 -7.886 7.318 400 HG22 VAL 46 1HG2 VAL 46 -5.925 -8.611 8.942 401 HG23 VAL 46 2HG2 VAL 46 -6.815 -7.132 8.601 402 H GLN 47 H GLN 47 -1.259 -6.406 7.519 403 HA GLN 47 HA GLN 47 -0.249 -5.158 10.123 404 HB2 GLN 47 1HB GLN 47 1.916 -4.945 9.396 405 HB3 GLN 47 2HB GLN 47 1.416 -6.622 9.336 406 HG2 GLN 47 1HG GLN 47 1.196 -6.424 6.777 407 HG3 GLN 47 2HG GLN 47 1.802 -4.772 6.905 408 HE21 GLN 47 1HE2 GLN 47 2.724 -8.154 7.350 409 HE22 GLN 47 2HE2 GLN 47 4.516 -7.794 7.253 410 H ILE 48 H ILE 48 -0.879 -3.261 10.457 411 HA ILE 48 HA ILE 48 -1.513 -1.349 8.144 412 HB ILE 48 HB ILE 48 -2.431 -1.232 11.065 413 HG12 ILE 48 1HG1 ILE 48 -3.995 -1.814 8.465 414 HG13 ILE 48 2HG1 ILE 48 -3.553 -2.998 9.666 415 HG21 ILE 48 1HG2 ILE 48 -3.815 0.778 10.310 416 HG22 ILE 48 2HG2 ILE 48 -2.083 1.083 10.196 417 HG23 ILE 48 3HG2 ILE 48 -2.995 0.730 8.728 418 HD11 ILE 48 3HD1 ILE 48 -5.920 -2.429 9.949 419 HD12 ILE 48 1HD1 ILE 48 -5.012 -1.936 11.394 420 HD13 ILE 48 2HD1 ILE 48 -5.543 -0.715 10.203 421 H THR 49 H THR 49 0.086 -0.015 7.669 422 HA THR 49 HA THR 49 2.079 0.869 9.840 423 HB THR 49 HB THR 49 2.692 0.711 6.843 424 HG1 THR 49 HG1 THR 49 2.416 -1.282 8.013 425 HG21 THR 49 3HG2 THR 49 4.498 1.253 9.308 426 HG22 THR 49 1HG2 THR 49 5.079 0.995 7.646 427 HG23 THR 49 2HG2 THR 49 4.097 2.425 8.031 428 H ILE 50 H ILE 50 1.400 2.745 10.535 429 HA ILE 50 HA ILE 50 0.236 4.742 8.559 430 HB ILE 50 HB ILE 50 -1.292 3.967 10.276 431 HG12 ILE 50 1HG1 ILE 50 -0.820 6.990 10.489 432 HG13 ILE 50 2HG1 ILE 50 -1.381 6.224 9.024 433 HG21 ILE 50 1HG2 ILE 50 0.420 5.546 12.318 434 HG22 ILE 50 2HG2 ILE 50 -1.201 4.922 12.636 435 HG23 ILE 50 3HG2 ILE 50 0.115 3.786 12.300 436 HD11 ILE 50 3HD1 ILE 50 -3.428 5.310 10.192 437 HD12 ILE 50 1HD1 ILE 50 -2.919 6.100 11.702 438 HD13 ILE 50 2HD1 ILE 50 -3.332 7.085 10.281 439 H SER 51 H SER 51 1.433 6.354 7.919 440 HA SER 51 HA SER 51 4.004 7.071 9.390 441 HG SER 51 HG SER 51 5.711 7.716 7.308 442 HB2 SER 51 1HB SER 51 3.975 6.574 6.900 443 HB3 SER 51 2HB SER 51 3.040 8.053 6.656 444 H ALA 52 H ALA 52 3.589 8.383 11.055 445 HA ALA 52 HA ALA 52 1.592 10.649 10.859 446 HB1 ALA 52 3HB ALA 52 3.097 9.402 13.262 447 HB2 ALA 52 1HB ALA 52 1.721 10.519 13.352 448 HB3 ALA 52 2HB ALA 52 1.503 8.896 12.673 449 H GLU 53 H GLU 53 1.966 12.734 11.686 450 HA GLU 53 HA GLU 53 4.428 14.087 10.893 451 HB2 GLU 53 1HB GLU 53 2.220 15.116 12.771 452 HB3 GLU 53 2HB GLU 53 3.412 16.119 11.983 453 HG2 GLU 53 1HG GLU 53 2.411 15.797 9.765 454 HG3 GLU 53 2HG GLU 53 1.365 14.501 10.333 455 H ASN 54 H ASN 54 3.411 13.041 14.126 456 HA ASN 54 HA ASN 54 6.095 13.786 15.331 457 HB2 ASN 54 1HB ASN 54 4.455 15.835 15.420 458 HB3 ASN 54 2HB ASN 54 3.423 14.885 16.464 459 HD21 ASN 54 1HD2 ASN 54 6.496 16.566 16.258 460 HD22 ASN 54 2HD2 ASN 54 6.712 16.616 18.088 461 H ASP 55 H ASP 55 6.210 13.062 17.658 462 HA ASP 55 HA ASP 55 5.387 10.263 18.078 463 HB2 ASP 55 1HB ASP 55 7.477 11.265 19.008 464 HB3 ASP 55 2HB ASP 55 6.537 12.301 20.079 465 H GLU 56 H GLU 56 4.029 13.346 19.454 466 HA GLU 56 HA GLU 56 1.809 12.010 20.856 467 HB2 GLU 56 1HB GLU 56 1.979 14.920 19.891 468 HB3 GLU 56 2HB GLU 56 0.638 14.251 20.802 469 HG2 GLU 56 1HG GLU 56 2.504 13.494 22.592 470 HG3 GLU 56 2HG GLU 56 3.520 14.672 21.778 471 H GLN 57 H GLN 57 1.876 13.266 17.523 472 HA GLN 57 HA GLN 57 -0.875 12.401 16.790 473 HB2 GLN 57 1HB GLN 57 1.644 12.945 15.118 474 HB3 GLN 57 2HB GLN 57 0.191 12.353 14.364 475 HG2 GLN 57 1HG GLN 57 0.207 14.973 15.996 476 HG3 GLN 57 2HG GLN 57 0.572 14.908 14.289 477 HE21 GLN 57 1HE2 GLN 57 -1.160 15.255 12.934 478 HE22 GLN 57 2HE2 GLN 57 -2.895 14.972 13.499 479 H ALA 58 H ALA 58 2.269 10.678 16.430 480 HA ALA 58 HA ALA 58 1.222 8.060 15.611 481 HB1 ALA 58 3HB ALA 58 3.724 8.905 17.221 482 HB2 ALA 58 1HB ALA 58 3.459 7.278 16.589 483 HB3 ALA 58 2HB ALA 58 3.624 8.639 15.465 484 H LYS 59 H LYS 59 1.706 9.326 18.967 485 HA LYS 59 HA LYS 59 0.599 6.990 20.319 486 HB2 LYS 59 1HB LYS 59 2.010 8.882 21.290 487 HB3 LYS 59 2HB LYS 59 0.606 9.915 21.269 488 HG2 LYS 59 1HG LYS 59 0.499 7.213 22.741 489 HG3 LYS 59 2HG LYS 59 1.440 8.490 23.448 490 HD2 LYS 59 1HD LYS 59 -1.535 8.998 22.714 491 HD3 LYS 59 2HD LYS 59 -1.094 8.120 24.145 492 HE2 LYS 59 1HE LYS 59 -1.418 10.326 24.914 493 HE3 LYS 59 2HE LYS 59 0.334 10.099 24.959 494 HZ1 LYS 59 3HZ LYS 59 -0.156 12.283 23.870 495 HZ2 LYS 59 1HZ LYS 59 0.274 11.289 22.623 496 HZ3 LYS 59 2HZ LYS 59 -1.318 11.612 22.894 497 H GLU 60 H GLU 60 -1.223 9.969 19.308 498 HA GLU 60 HA GLU 60 -3.817 8.884 20.216 499 HB2 GLU 60 1HB GLU 60 -3.514 10.998 18.018 500 HB3 GLU 60 2HB GLU 60 -4.930 10.635 18.990 501 HG2 GLU 60 1HG GLU 60 -2.394 12.098 19.855 502 HG3 GLU 60 2HG GLU 60 -4.033 12.692 19.845 503 H LEU 61 H LEU 61 -2.339 8.849 16.951 504 HA LEU 61 HA LEU 61 -4.416 7.251 15.616 505 HG LEU 61 HG LEU 61 -2.780 9.650 14.706 506 HB2 LEU 61 1HB LEU 61 -1.408 7.481 15.060 507 HB3 LEU 61 2HB LEU 61 -2.517 6.663 13.984 508 HD11 LEU 61 1HD1 LEU 61 -1.486 8.366 12.219 509 HD12 LEU 61 2HD1 LEU 61 -1.766 10.107 12.473 510 HD13 LEU 61 3HD1 LEU 61 -0.643 9.232 13.528 511 HD21 LEU 61 3HD2 LEU 61 -4.267 9.779 12.695 512 HD22 LEU 61 1HD2 LEU 61 -4.141 8.020 12.454 513 HD23 LEU 61 2HD2 LEU 61 -4.944 8.675 13.900 514 H LEU 62 H LEU 62 -1.679 6.132 17.580 515 HA LEU 62 HA LEU 62 -2.007 3.241 17.216 516 HG LEU 62 HG LEU 62 -1.414 2.712 20.511 517 HB2 LEU 62 1HB LEU 62 -0.045 4.286 18.258 518 HB3 LEU 62 2HB LEU 62 -1.007 4.938 19.565 519 HD11 LEU 62 1HD1 LEU 62 -0.203 0.665 19.628 520 HD12 LEU 62 2HD1 LEU 62 -1.429 1.242 18.494 521 HD13 LEU 62 3HD1 LEU 62 0.293 1.581 18.181 522 HD21 LEU 62 3HD2 LEU 62 0.961 2.266 21.229 523 HD22 LEU 62 1HD2 LEU 62 1.574 3.219 19.855 524 HD23 LEU 62 2HD2 LEU 62 0.648 4.012 21.150 525 H GLU 63 H GLU 63 -3.637 5.345 19.683 526 HA GLU 63 HA GLU 63 -5.509 3.311 20.615 527 HB2 GLU 63 1HB GLU 63 -5.172 5.584 21.707 528 HB3 GLU 63 2HB GLU 63 -6.105 6.322 20.426 529 HG2 GLU 63 1HG GLU 63 -7.622 4.002 21.607 530 HG3 GLU 63 2HG GLU 63 -7.041 5.056 22.875 531 H LEU 64 H LEU 64 -6.100 5.718 17.991 532 HA LEU 64 HA LEU 64 -8.695 4.736 17.184 533 HG LEU 64 HG LEU 64 -9.473 6.874 16.190 534 HB2 LEU 64 1HB LEU 64 -6.477 6.320 15.766 535 HB3 LEU 64 2HB LEU 64 -7.789 5.726 14.800 536 HD11 LEU 64 1HD1 LEU 64 -8.323 7.150 18.394 537 HD12 LEU 64 2HD1 LEU 64 -7.092 8.202 17.666 538 HD13 LEU 64 3HD1 LEU 64 -8.787 8.734 17.768 539 HD21 LEU 64 3HD2 LEU 64 -8.963 9.173 15.305 540 HD22 LEU 64 1HD2 LEU 64 -7.255 8.731 15.077 541 HD23 LEU 64 2HD2 LEU 64 -8.523 7.942 14.106 542 H ILE 65 H ILE 65 -5.606 3.592 15.886 543 HA ILE 65 HA ILE 65 -6.930 1.471 14.214 544 HB ILE 65 HB ILE 65 -4.004 1.373 15.036 545 HG12 ILE 65 1HG1 ILE 65 -4.991 2.555 12.365 546 HG13 ILE 65 2HG1 ILE 65 -4.545 3.554 13.727 547 HG21 ILE 65 1HG2 ILE 65 -5.072 -0.759 14.059 548 HG22 ILE 65 2HG2 ILE 65 -5.495 0.130 12.598 549 HG23 ILE 65 3HG2 ILE 65 -3.790 -0.158 13.023 550 HD11 ILE 65 3HD1 ILE 65 -2.533 1.554 12.479 551 HD12 ILE 65 1HD1 ILE 65 -2.663 3.264 12.067 552 HD13 ILE 65 2HD1 ILE 65 -2.199 2.777 13.717 553 H ALA 66 H ALA 66 -5.146 1.253 17.412 554 HA ALA 66 HA ALA 66 -5.686 -1.580 17.834 555 HB1 ALA 66 3HB ALA 66 -5.178 0.623 19.926 556 HB2 ALA 66 1HB ALA 66 -4.995 -1.131 20.174 557 HB3 ALA 66 2HB ALA 66 -3.928 -0.283 19.041 558 H ARG 67 H ARG 67 -7.706 1.184 18.853 559 HA ARG 67 HA ARG 67 -9.905 -0.302 20.136 560 HE ARG 67 HE ARG 67 -13.486 4.046 20.393 561 HB2 ARG 67 1HB ARG 67 -9.348 2.062 20.364 562 HB3 ARG 67 2HB ARG 67 -9.683 2.390 18.663 563 HG2 ARG 67 1HG ARG 67 -12.100 2.225 18.994 564 HG3 ARG 67 2HG ARG 67 -11.896 1.582 20.639 565 HD2 ARG 67 1HD ARG 67 -10.760 3.657 21.402 566 HD3 ARG 67 2HD ARG 67 -10.657 4.287 19.757 567 HH11 ARG 67 2HH1 ARG 67 -10.660 6.033 21.336 568 HH12 ARG 67 1HH1 ARG 67 -11.748 7.301 22.006 569 HH21 ARG 67 2HH2 ARG 67 -14.630 5.635 21.101 570 HH22 ARG 67 1HH2 ARG 67 -13.841 7.133 21.788 571 H LEU 68 H LEU 68 -9.453 0.536 16.663 572 HA LEU 68 HA LEU 68 -11.916 -0.782 15.649 573 HG LEU 68 HG LEU 68 -11.207 -1.797 13.125 574 HB2 LEU 68 1HB LEU 68 -10.444 0.911 14.370 575 HB3 LEU 68 2HB LEU 68 -9.204 -0.300 14.275 576 HD11 LEU 68 1HD1 LEU 68 -13.012 -0.119 13.445 577 HD12 LEU 68 2HD1 LEU 68 -12.073 1.118 12.577 578 HD13 LEU 68 3HD1 LEU 68 -12.683 -0.312 11.719 579 HD21 LEU 68 3HD2 LEU 68 -9.604 0.358 11.627 580 HD22 LEU 68 1HD2 LEU 68 -9.066 -1.289 12.009 581 HD23 LEU 68 2HD2 LEU 68 -10.420 -1.040 10.890 582 H LEU 69 H LEU 69 -8.530 -1.911 15.902 583 HA LEU 69 HA LEU 69 -8.928 -4.656 15.017 584 HG LEU 69 HG LEU 69 -6.805 -2.404 14.566 585 HB2 LEU 69 1HB LEU 69 -6.808 -3.505 16.905 586 HB3 LEU 69 2HB LEU 69 -6.710 -5.065 16.135 587 HD11 LEU 69 1HD1 LEU 69 -4.281 -2.957 14.216 588 HD12 LEU 69 2HD1 LEU 69 -4.776 -2.317 15.793 589 HD13 LEU 69 3HD1 LEU 69 -4.435 -4.033 15.624 590 HD21 LEU 69 3HD2 LEU 69 -5.909 -3.831 12.651 591 HD22 LEU 69 1HD2 LEU 69 -6.356 -5.263 13.604 592 HD23 LEU 69 2HD2 LEU 69 -7.601 -4.120 13.090 593 H GLN 70 H GLN 70 -8.790 -3.493 18.450 594 HA GLN 70 HA GLN 70 -9.586 -6.085 19.630 595 HB2 GLN 70 1HB GLN 70 -8.302 -4.399 20.849 596 HB3 GLN 70 2HB GLN 70 -9.583 -3.211 20.707 597 HG2 GLN 70 1HG GLN 70 -9.535 -4.092 22.965 598 HG3 GLN 70 2HG GLN 70 -11.047 -4.557 22.227 599 HE21 GLN 70 1HE2 GLN 70 -11.289 -6.859 21.678 600 HE22 GLN 70 2HE2 GLN 70 -10.244 -8.066 22.607 601 H LYS 71 H LYS 71 -11.594 -3.380 18.436 602 HA LYS 71 HA LYS 71 -14.189 -4.609 19.267 603 HB2 LYS 71 1HB LYS 71 -13.771 -2.113 18.624 604 HB3 LYS 71 2HB LYS 71 -13.706 -2.641 16.956 605 HG2 LYS 71 1HG LYS 71 -16.145 -3.639 17.382 606 HG3 LYS 71 2HG LYS 71 -16.077 -2.828 18.931 607 HD2 LYS 71 1HD LYS 71 -17.245 -1.277 17.563 608 HD3 LYS 71 2HD LYS 71 -15.642 -0.609 17.706 609 HE2 LYS 71 1HE LYS 71 -16.173 -0.295 15.387 610 HE3 LYS 71 2HE LYS 71 -15.051 -1.629 15.371 611 HZ1 LYS 71 3HZ LYS 71 -17.121 -2.028 13.995 612 HZ2 LYS 71 1HZ LYS 71 -16.932 -3.195 15.143 613 HZ3 LYS 71 2HZ LYS 71 -18.061 -2.001 15.349 614 H LEU 72 H LEU 72 -12.263 -4.810 16.218 615 HA LEU 72 HA LEU 72 -14.072 -6.639 14.832 616 HG LEU 72 HG LEU 72 -11.622 -6.341 12.007 617 HB2 LEU 72 1HB LEU 72 -11.498 -5.431 14.241 618 HB3 LEU 72 2HB LEU 72 -11.168 -7.104 14.237 619 HD11 LEU 72 1HD1 LEU 72 -12.346 -8.695 12.514 620 HD12 LEU 72 2HD1 LEU 72 -13.991 -8.123 12.863 621 HD13 LEU 72 3HD1 LEU 72 -13.322 -7.961 11.222 622 HD21 LEU 72 3HD2 LEU 72 -13.122 -4.396 12.566 623 HD22 LEU 72 1HD2 LEU 72 -13.756 -5.389 11.233 624 HD23 LEU 72 2HD2 LEU 72 -14.471 -5.519 12.855 625 H GLY 73 H GLY 73 -11.312 -7.435 16.910 626 HA2 GLY 73 1HA GLY 73 -11.525 -9.477 18.422 627 HA3 GLY 73 2HA GLY 73 -12.310 -10.360 17.129 628 H TYR 74 H TYR 74 -9.278 -8.503 17.485 629 HA TYR 74 HA TYR 74 -7.703 -10.811 16.209 630 HD1 TYR 74 HD2 TYR 74 -6.373 -10.330 13.787 631 HD2 TYR 74 HD1 TYR 74 -8.670 -6.892 14.930 632 HE1 TYR 74 HE2 TYR 74 -7.025 -9.962 11.433 633 HE2 TYR 74 HE1 TYR 74 -9.304 -6.532 12.595 634 HH TYR 74 HH TYR 74 -9.185 -7.295 10.523 635 HB2 TYR 74 1HB TYR 74 -7.057 -7.819 16.530 636 HB3 TYR 74 2HB TYR 74 -5.905 -8.994 15.990 637 H LYS 75 H LYS 75 -6.975 -12.155 17.728 638 HA LYS 75 HA LYS 75 -6.439 -11.526 20.511 639 HB2 LYS 75 1HB LYS 75 -5.759 -13.776 20.783 640 HB3 LYS 75 2HB LYS 75 -7.001 -13.803 19.558 641 HG2 LYS 75 1HG LYS 75 -4.962 -13.785 17.821 642 HG3 LYS 75 2HG LYS 75 -3.955 -14.133 19.212 643 HD2 LYS 75 1HD LYS 75 -5.438 -16.244 19.633 644 HD3 LYS 75 2HD LYS 75 -6.275 -15.861 18.130 645 HE2 LYS 75 1HE LYS 75 -3.746 -15.806 17.076 646 HE3 LYS 75 2HE LYS 75 -3.307 -16.662 18.549 647 HZ1 LYS 75 3HZ LYS 75 -5.250 -18.284 17.884 648 HZ2 LYS 75 1HZ LYS 75 -5.236 -17.537 16.412 649 HZ3 LYS 75 2HZ LYS 75 -3.909 -18.357 16.928 650 H ASP 76 H ASP 76 -4.141 -11.410 17.854 651 HA ASP 76 HA ASP 76 -1.823 -10.745 19.761 652 HB2 ASP 76 1HB ASP 76 -1.444 -12.828 18.505 653 HB3 ASP 76 2HB ASP 76 -1.945 -12.087 17.000 654 H ILE 77 H ILE 77 -1.472 -8.638 19.737 655 HA ILE 77 HA ILE 77 -1.991 -6.928 17.228 656 HB ILE 77 HB ILE 77 -2.636 -6.162 20.126 657 HG12 ILE 77 1HG1 ILE 77 -4.726 -6.125 17.865 658 HG13 ILE 77 2HG1 ILE 77 -4.366 -7.641 18.646 659 HG21 ILE 77 1HG2 ILE 77 -3.527 -3.972 19.195 660 HG22 ILE 77 2HG2 ILE 77 -1.784 -4.139 18.940 661 HG23 ILE 77 3HG2 ILE 77 -2.910 -4.410 17.586 662 HD11 ILE 77 3HD1 ILE 77 -4.995 -6.722 20.897 663 HD12 ILE 77 1HD1 ILE 77 -5.430 -5.165 20.137 664 HD13 ILE 77 2HD1 ILE 77 -6.317 -6.652 19.719 665 H ASN 78 H ASN 78 0.081 -6.994 16.587 666 HA ASN 78 HA ASN 78 2.299 -6.832 18.618 667 HB2 ASN 78 1HB ASN 78 1.665 -8.769 16.951 668 HB3 ASN 78 2HB ASN 78 2.416 -7.800 15.706 669 HD21 ASN 78 1HD2 ASN 78 3.055 -10.408 17.051 670 HD22 ASN 78 2HD2 ASN 78 4.823 -10.207 17.520 671 H VAL 79 H VAL 79 2.789 -4.755 18.927 672 HA VAL 79 HA VAL 79 2.836 -2.751 16.711 673 HB VAL 79 HB VAL 79 3.110 -2.304 19.740 674 HG11 VAL 79 1HG1 VAL 79 2.214 0.001 19.279 675 HG12 VAL 79 2HG1 VAL 79 3.733 -0.257 18.421 676 HG13 VAL 79 3HG1 VAL 79 2.199 -0.328 17.531 677 HG21 VAL 79 3HG2 VAL 79 0.921 -3.474 19.344 678 HG22 VAL 79 1HG2 VAL 79 0.667 -1.801 19.842 679 HG23 VAL 79 2HG2 VAL 79 0.468 -2.263 18.136 680 H ARG 80 H ARG 80 4.653 -1.980 15.750 681 HA ARG 80 HA ARG 80 6.985 -1.189 17.557 682 HE ARG 80 HE ARG 80 8.466 -5.680 14.592 683 HB2 ARG 80 1HB ARG 80 7.224 -2.941 15.064 684 HB3 ARG 80 2HB ARG 80 8.474 -1.749 15.306 685 HG2 ARG 80 1HG ARG 80 9.204 -2.615 17.410 686 HG3 ARG 80 2HG ARG 80 7.770 -3.552 17.668 687 HD2 ARG 80 1HD ARG 80 9.968 -4.133 15.589 688 HD3 ARG 80 2HD ARG 80 9.749 -4.987 17.092 689 HH11 ARG 80 2HH1 ARG 80 7.467 -5.402 17.927 690 HH12 ARG 80 1HH1 ARG 80 6.168 -6.687 17.675 691 HH21 ARG 80 2HH2 ARG 80 7.008 -7.188 14.430 692 HH22 ARG 80 1HH2 ARG 80 5.947 -7.562 15.881 693 H VAL 81 H VAL 81 7.267 0.958 17.434 694 HA VAL 81 HA VAL 81 6.445 2.465 14.989 695 HB VAL 81 HB VAL 81 5.712 3.212 17.214 696 HG11 VAL 81 1HG1 VAL 81 7.824 2.868 18.614 697 HG12 VAL 81 2HG1 VAL 81 8.589 4.216 17.742 698 HG13 VAL 81 3HG1 VAL 81 7.156 4.509 18.747 699 HG21 VAL 81 3HG2 VAL 81 7.413 5.295 15.722 700 HG22 VAL 81 1HG2 VAL 81 5.780 4.779 15.253 701 HG23 VAL 81 2HG2 VAL 81 6.032 5.625 16.798 702 H ASN 82 H ASN 82 7.788 3.012 13.417 703 HA ASN 82 HA ASN 82 10.841 3.079 13.880 704 HB2 ASN 82 1HB ASN 82 10.031 1.595 12.054 705 HB3 ASN 82 2HB ASN 82 9.285 2.945 11.233 706 HD21 ASN 82 1HD2 ASN 82 10.567 3.711 9.563 707 HD22 ASN 82 2HD2 ASN 82 12.413 3.586 9.612 708 H GLY 83 H GLY 83 10.685 5.006 15.082 709 HA2 GLY 83 1HA GLY 83 11.068 7.421 15.255 710 HA3 GLY 83 2HA GLY 83 10.839 7.604 13.528 711 H THR 84 H THR 84 8.769 7.931 12.758 712 HA THR 84 HA THR 84 6.439 8.186 14.760 713 HB THR 84 HB THR 84 5.346 9.820 13.398 714 HG1 THR 84 HG1 THR 84 6.005 10.480 11.517 715 HG21 THR 84 3HG2 THR 84 6.750 11.817 13.602 716 HG22 THR 84 1HG2 THR 84 6.955 10.793 15.050 717 HG23 THR 84 2HG2 THR 84 8.218 10.835 13.794 718 H GLU 85 H GLU 85 7.539 6.185 12.271 719 HA GLU 85 HA GLU 85 4.913 5.632 10.952 720 HB2 GLU 85 1HB GLU 85 7.536 4.061 10.845 721 HB3 GLU 85 2HB GLU 85 6.141 3.735 9.848 722 HG2 GLU 85 1HG GLU 85 6.389 5.950 8.695 723 HG3 GLU 85 2HG GLU 85 7.787 6.344 9.705 724 H VAL 86 H VAL 86 3.410 4.756 12.291 725 HA VAL 86 HA VAL 86 4.154 2.697 14.416 726 HB VAL 86 HB VAL 86 1.582 4.225 13.872 727 HG11 VAL 86 1HG1 VAL 86 1.990 2.090 16.066 728 HG12 VAL 86 2HG1 VAL 86 0.634 3.249 15.987 729 HG13 VAL 86 3HG1 VAL 86 0.823 2.044 14.716 730 HG21 VAL 86 3HG2 VAL 86 3.384 5.532 15.004 731 HG22 VAL 86 1HG2 VAL 86 2.011 5.262 16.089 732 HG23 VAL 86 2HG2 VAL 86 3.498 4.304 16.289 733 H LYS 87 H LYS 87 4.659 0.836 13.470 734 HA LYS 87 HA LYS 87 2.844 -0.456 11.396 735 HB2 LYS 87 1HB LYS 87 5.290 -0.250 11.023 736 HB3 LYS 87 2HB LYS 87 5.639 -1.249 12.407 737 HG2 LYS 87 1HG LYS 87 3.781 -2.380 10.225 738 HG3 LYS 87 2HG LYS 87 5.463 -2.143 9.809 739 HD2 LYS 87 1HD LYS 87 6.213 -3.595 11.718 740 HD3 LYS 87 2HD LYS 87 4.538 -3.803 12.242 741 HE2 LYS 87 1HE LYS 87 3.987 -4.856 9.963 742 HE3 LYS 87 2HE LYS 87 5.662 -4.718 9.472 743 HZ1 LYS 87 3HZ LYS 87 5.047 -6.099 12.052 744 HZ2 LYS 87 1HZ LYS 87 4.748 -6.968 10.711 745 HZ3 LYS 87 2HZ LYS 87 6.284 -6.423 11.003 746 H ILE 88 H ILE 88 1.069 -1.134 12.470 747 HA ILE 88 HA ILE 88 1.373 -3.022 14.877 748 HB ILE 88 HB ILE 88 -1.201 -1.789 13.769 749 HG12 ILE 88 1HG1 ILE 88 0.226 -0.963 16.381 750 HG13 ILE 88 2HG1 ILE 88 0.480 -0.129 14.875 751 HG21 ILE 88 1HG2 ILE 88 -0.652 -3.423 16.358 752 HG22 ILE 88 2HG2 ILE 88 -2.189 -2.606 15.996 753 HG23 ILE 88 3HG2 ILE 88 -1.639 -3.940 14.976 754 HD11 ILE 88 3HD1 ILE 88 -1.991 0.385 14.690 755 HD12 ILE 88 1HD1 ILE 88 -2.237 -0.306 16.315 756 HD13 ILE 88 2HD1 ILE 88 -1.205 1.124 16.093 757 H GLU 89 H GLU 89 1.724 -5.049 14.226 758 HA GLU 89 HA GLU 89 0.232 -6.213 11.819 759 HB2 GLU 89 1HB GLU 89 2.641 -6.471 11.796 760 HB3 GLU 89 2HB GLU 89 2.627 -7.379 13.308 761 HG2 GLU 89 1HG GLU 89 1.411 -9.265 12.239 762 HG3 GLU 89 2HG GLU 89 1.006 -8.325 10.831 763 H VAL 90 H VAL 90 -1.671 -6.994 12.273 764 HA VAL 90 HA VAL 90 -2.133 -8.373 14.936 765 HB VAL 90 HB VAL 90 -4.558 -8.501 14.313 766 HG11 VAL 90 1HG1 VAL 90 -3.758 -6.987 16.010 767 HG12 VAL 90 2HG1 VAL 90 -3.347 -5.746 14.799 768 HG13 VAL 90 3HG1 VAL 90 -5.052 -6.216 15.107 769 HG21 VAL 90 3HG2 VAL 90 -4.063 -6.255 12.282 770 HG22 VAL 90 1HG2 VAL 90 -4.400 -7.954 11.831 771 HG23 VAL 90 2HG2 VAL 90 -5.602 -7.032 12.724 772 H ARG 91 H ARG 91 -2.643 -10.383 15.176 773 HA ARG 91 HA ARG 91 -3.054 -12.178 12.701 774 HE ARG 91 HE ARG 91 0.961 -12.259 15.619 775 HB2 ARG 91 1HB ARG 91 -1.386 -12.976 15.155 776 HB3 ARG 91 2HB ARG 91 -1.780 -14.007 13.798 777 HG2 ARG 91 1HG ARG 91 -0.500 -12.509 12.245 778 HG3 ARG 91 2HG ARG 91 -0.124 -11.399 13.539 779 HD2 ARG 91 1HD ARG 91 0.814 -14.342 13.474 780 HD3 ARG 91 2HD ARG 91 1.768 -12.949 12.913 781 HH11 ARG 91 2HH1 ARG 91 3.047 -14.585 14.067 782 HH12 ARG 91 1HH1 ARG 91 3.997 -14.881 15.607 783 HH21 ARG 91 2HH2 ARG 91 1.963 -12.715 17.394 784 HH22 ARG 91 1HH2 ARG 91 3.411 -13.846 17.381 785 H VAL 92 H VAL 92 -4.947 -13.207 12.770 786 HA VAL 92 HA VAL 92 -6.785 -13.004 15.044 787 HB VAL 92 HB VAL 92 -7.034 -14.741 12.527 788 HG11 VAL 92 1HG1 VAL 92 -8.607 -15.686 14.245 789 HG12 VAL 92 2HG1 VAL 92 -9.277 -14.065 14.560 790 HG13 VAL 92 3HG1 VAL 92 -9.512 -14.851 12.982 791 HG21 VAL 92 3HG2 VAL 92 -8.613 -12.976 11.709 792 HG22 VAL 92 1HG2 VAL 92 -8.404 -12.043 13.204 793 HG23 VAL 92 2HG2 VAL 92 -7.048 -12.245 12.072 Start of MODEL 19 1 H HIS -1 H HIS -1 2.404 14.960 0.089 2 HA HIS -1 HA HIS -1 3.556 17.034 0.391 3 HD2 HIS -1 HD2 HIS -1 4.144 19.647 -0.754 4 HE1 HIS -1 HE1 HIS -1 1.361 20.033 -3.836 5 HE2 HIS -1 HE2 HIS -1 3.784 20.639 -3.206 6 HB2 HIS -1 1HB HIS -1 0.706 18.195 0.529 7 HB3 HIS -1 2HB HIS -1 2.101 19.046 1.144 8 H MET 0 H MET 0 0.534 16.453 2.253 9 HA MET 0 HA MET 0 2.073 16.659 4.849 10 HB2 MET 0 1HB MET 0 -0.926 16.133 4.342 11 HB3 MET 0 2HB MET 0 -0.181 16.211 5.928 12 HG2 MET 0 1HG MET 0 -1.156 18.346 5.632 13 HG3 MET 0 2HG MET 0 0.582 18.609 5.450 14 HE1 MET 0 3HE MET 0 -1.207 21.128 2.927 15 HE2 MET 0 1HE MET 0 -1.705 20.606 4.565 16 HE3 MET 0 2HE MET 0 0.012 20.994 4.233 17 H LYS 1 H LYS 1 2.446 15.029 6.263 18 HA LYS 1 HA LYS 1 2.457 12.167 5.239 19 HB2 LYS 1 1HB LYS 1 3.315 13.116 8.009 20 HB3 LYS 1 2HB LYS 1 3.508 11.516 7.361 21 HG2 LYS 1 1HG LYS 1 5.151 12.422 5.623 22 HG3 LYS 1 2HG LYS 1 4.949 14.036 6.315 23 HD2 LYS 1 1HD LYS 1 5.581 12.969 8.637 24 HD3 LYS 1 2HD LYS 1 6.010 11.508 7.762 25 HE2 LYS 1 1HE LYS 1 7.775 12.821 6.453 26 HE3 LYS 1 2HE LYS 1 7.286 14.306 7.282 27 HZ1 LYS 1 3HZ LYS 1 7.836 13.185 9.460 28 HZ2 LYS 1 1HZ LYS 1 8.332 11.837 8.687 29 HZ3 LYS 1 2HZ LYS 1 9.177 13.242 8.510 30 H VAL 2 H VAL 2 0.114 11.981 5.063 31 HA VAL 2 HA VAL 2 -0.734 10.479 7.596 32 HB VAL 2 HB VAL 2 -2.816 11.925 5.882 33 HG11 VAL 2 1HG1 VAL 2 -4.416 11.264 7.714 34 HG12 VAL 2 2HG1 VAL 2 -3.629 9.817 7.071 35 HG13 VAL 2 3HG1 VAL 2 -3.098 10.487 8.627 36 HG21 VAL 2 3HG2 VAL 2 -3.283 13.455 7.818 37 HG22 VAL 2 1HG2 VAL 2 -1.885 12.787 8.703 38 HG23 VAL 2 2HG2 VAL 2 -1.641 13.699 7.201 39 H ASP 3 H ASP 3 0.414 8.818 6.484 40 HA ASP 3 HA ASP 3 -0.870 7.661 3.963 41 HB2 ASP 3 1HB ASP 3 1.659 7.918 4.107 42 HB3 ASP 3 2HB ASP 3 1.668 6.727 5.413 43 H ILE 4 H ILE 4 -2.090 5.863 4.024 44 HA ILE 4 HA ILE 4 -1.915 4.020 6.446 45 HB ILE 4 HB ILE 4 -4.050 2.989 6.002 46 HG12 ILE 4 1HG1 ILE 4 -5.826 4.819 4.893 47 HG13 ILE 4 2HG1 ILE 4 -4.463 5.059 3.835 48 HG21 ILE 4 1HG2 ILE 4 -4.281 5.928 6.828 49 HG22 ILE 4 2HG2 ILE 4 -5.428 4.626 7.234 50 HG23 ILE 4 3HG2 ILE 4 -3.772 4.572 7.861 51 HD11 ILE 4 3HD1 ILE 4 -5.750 2.292 4.424 52 HD12 ILE 4 1HD1 ILE 4 -6.131 3.300 3.025 53 HD13 ILE 4 2HD1 ILE 4 -4.512 2.605 3.195 54 H THR 5 H THR 5 -0.386 2.688 5.838 55 HA THR 5 HA THR 5 -0.568 1.272 3.115 56 HB THR 5 HB THR 5 1.789 1.739 5.000 57 HG1 THR 5 HG1 THR 5 1.432 3.431 3.496 58 HG21 THR 5 3HG2 THR 5 1.706 -0.022 2.451 59 HG22 THR 5 1HG2 THR 5 3.175 0.494 3.304 60 HG23 THR 5 2HG2 THR 5 2.032 -0.621 4.096 61 H ILE 6 H ILE 6 -1.981 -0.275 3.329 62 HA ILE 6 HA ILE 6 -2.084 -2.007 5.871 63 HB ILE 6 HB ILE 6 -4.305 -1.676 3.804 64 HG12 ILE 6 1HG1 ILE 6 -4.036 0.542 4.684 65 HG13 ILE 6 2HG1 ILE 6 -5.530 -0.163 5.229 66 HG21 ILE 6 1HG2 ILE 6 -4.558 -3.748 5.118 67 HG22 ILE 6 2HG2 ILE 6 -4.387 -2.860 6.648 68 HG23 ILE 6 3HG2 ILE 6 -5.806 -2.595 5.609 69 HD11 ILE 6 3HD1 ILE 6 -4.466 1.107 7.088 70 HD12 ILE 6 1HD1 ILE 6 -4.475 -0.609 7.521 71 HD13 ILE 6 2HD1 ILE 6 -2.968 0.159 6.943 72 H LYS 7 H LYS 7 -0.892 -3.815 5.502 73 HA LYS 7 HA LYS 7 -1.138 -5.235 2.779 74 HB2 LYS 7 1HB LYS 7 1.118 -4.291 3.558 75 HB3 LYS 7 2HB LYS 7 1.158 -5.613 4.703 76 HG2 LYS 7 1HG LYS 7 0.919 -7.248 2.759 77 HG3 LYS 7 2HG LYS 7 1.097 -5.898 1.640 78 HD2 LYS 7 1HD LYS 7 3.175 -6.568 3.868 79 HD3 LYS 7 2HD LYS 7 3.203 -7.324 2.306 80 HE2 LYS 7 1HE LYS 7 4.869 -5.600 2.255 81 HE3 LYS 7 2HE LYS 7 3.593 -5.140 1.134 82 HZ1 LYS 7 3HZ LYS 7 4.387 -3.275 2.667 83 HZ2 LYS 7 1HZ LYS 7 2.805 -3.464 2.541 84 HZ3 LYS 7 2HZ LYS 7 3.577 -4.008 3.946 85 H ILE 8 H ILE 8 -2.457 -6.882 2.853 86 HA ILE 8 HA ILE 8 -2.911 -8.467 5.435 87 HB ILE 8 HB ILE 8 -4.516 -8.698 2.848 88 HG12 ILE 8 1HG1 ILE 8 -5.407 -7.250 5.421 89 HG13 ILE 8 2HG1 ILE 8 -4.762 -6.412 4.022 90 HG21 ILE 8 1HG2 ILE 8 -5.177 -9.760 5.691 91 HG22 ILE 8 2HG2 ILE 8 -6.150 -9.996 4.218 92 HG23 ILE 8 3HG2 ILE 8 -4.567 -10.766 4.367 93 HD11 ILE 8 3HD1 ILE 8 -6.647 -7.310 2.574 94 HD12 ILE 8 1HD1 ILE 8 -7.384 -8.016 4.038 95 HD13 ILE 8 2HD1 ILE 8 -7.179 -6.258 3.907 96 H GLN 9 H GLN 9 -1.478 -10.062 5.674 97 HA GLN 9 HA GLN 9 -0.133 -11.466 3.325 98 HB2 GLN 9 1HB GLN 9 0.278 -11.906 6.344 99 HB3 GLN 9 2HB GLN 9 1.150 -12.681 5.054 100 HG2 GLN 9 1HG GLN 9 2.645 -11.034 5.827 101 HG3 GLN 9 2HG GLN 9 2.059 -10.414 4.310 102 HE21 GLN 9 1HE2 GLN 9 1.101 -10.161 7.765 103 HE22 GLN 9 2HE2 GLN 9 0.839 -8.343 7.627 104 H ARG 10 H ARG 10 -2.045 -12.371 2.454 105 HA ARG 10 HA ARG 10 -3.824 -14.029 4.213 106 HE ARG 10 HE ARG 10 -6.170 -16.242 1.404 107 HB2 ARG 10 1HB ARG 10 -4.501 -12.144 2.513 108 HB3 ARG 10 2HB ARG 10 -4.241 -13.324 1.263 109 HG2 ARG 10 1HG ARG 10 -5.960 -14.624 3.282 110 HG3 ARG 10 2HG ARG 10 -6.499 -12.970 3.174 111 HD2 ARG 10 1HD ARG 10 -7.835 -14.161 1.615 112 HD3 ARG 10 2HD ARG 10 -6.719 -13.250 0.615 113 HH11 ARG 10 2HH1 ARG 10 -6.152 -13.867 -1.162 114 HH12 ARG 10 1HH1 ARG 10 -5.134 -15.030 -2.179 115 HH21 ARG 10 2HH2 ARG 10 -5.250 -17.396 0.280 116 HH22 ARG 10 1HH2 ARG 10 -4.707 -16.950 -1.448 117 H ASP 11 H ASP 11 -2.890 -15.974 4.569 118 HA ASP 11 HA ASP 11 -2.474 -18.239 4.249 119 HB2 ASP 11 1HB ASP 11 -3.357 -18.240 1.351 120 HB3 ASP 11 2HB ASP 11 -3.244 -19.589 2.458 121 H GLY 12 H GLY 12 -1.569 -17.131 1.278 122 HA2 GLY 12 1HA GLY 12 1.176 -16.471 2.078 123 HA3 GLY 12 2HA GLY 12 1.307 -17.773 0.899 124 H GLN 13 H GLN 13 -0.745 -14.855 1.177 125 HA GLN 13 HA GLN 13 0.351 -13.766 -1.472 126 HB2 GLN 13 1HB GLN 13 -2.594 -14.439 -0.840 127 HB3 GLN 13 2HB GLN 13 -2.166 -13.248 -2.039 128 HG2 GLN 13 1HG GLN 13 -0.690 -15.036 -3.218 129 HG3 GLN 13 2HG GLN 13 -1.358 -16.225 -2.124 130 HE21 GLN 13 1HE2 GLN 13 -1.823 -14.681 -5.052 131 HE22 GLN 13 2HE2 GLN 13 -3.519 -15.323 -5.356 132 H GLU 14 H GLU 14 1.352 -12.115 -0.337 133 HA GLU 14 HA GLU 14 0.194 -10.293 1.417 134 HB2 GLU 14 1HB GLU 14 2.555 -9.801 -0.494 135 HB3 GLU 14 2HB GLU 14 2.147 -8.839 0.902 136 HG2 GLU 14 1HG GLU 14 3.801 -10.179 1.844 137 HG3 GLU 14 2HG GLU 14 2.379 -11.101 2.309 138 H ILE 15 H ILE 15 -1.695 -9.300 0.980 139 HA ILE 15 HA ILE 15 -2.138 -7.819 -1.641 140 HB ILE 15 HB ILE 15 -4.085 -8.376 0.640 141 HG12 ILE 15 1HG1 ILE 15 -4.118 -9.690 -2.155 142 HG13 ILE 15 2HG1 ILE 15 -3.240 -10.407 -0.827 143 HG21 ILE 15 1HG2 ILE 15 -4.832 -6.341 -0.584 144 HG22 ILE 15 2HG2 ILE 15 -4.630 -7.150 -2.154 145 HG23 ILE 15 3HG2 ILE 15 -5.898 -7.676 -1.024 146 HD11 ILE 15 3HD1 ILE 15 -5.412 -11.495 -0.916 147 HD12 ILE 15 1HD1 ILE 15 -5.369 -10.522 0.574 148 HD13 ILE 15 2HD1 ILE 15 -6.289 -9.952 -0.842 149 H GLU 16 H GLU 16 -0.897 -6.016 -1.561 150 HA GLU 16 HA GLU 16 -0.792 -4.135 0.744 151 HB2 GLU 16 1HB GLU 16 1.119 -4.667 -0.884 152 HB3 GLU 16 2HB GLU 16 0.245 -3.799 -2.127 153 HG2 GLU 16 1HG GLU 16 1.669 -2.099 -1.425 154 HG3 GLU 16 2HG GLU 16 0.328 -1.712 -0.393 155 H ILE 17 H ILE 17 -2.331 -2.669 1.182 156 HA ILE 17 HA ILE 17 -3.555 -0.996 -1.116 157 HB ILE 17 HB ILE 17 -4.700 -1.412 1.676 158 HG12 ILE 17 1HG1 ILE 17 -5.061 -3.485 0.489 159 HG13 ILE 17 2HG1 ILE 17 -6.576 -2.655 0.726 160 HG21 ILE 17 1HG2 ILE 17 -5.300 0.843 0.842 161 HG22 ILE 17 2HG2 ILE 17 -5.933 0.160 -0.670 162 HG23 ILE 17 3HG2 ILE 17 -6.737 -0.191 0.880 163 HD11 ILE 17 3HD1 ILE 17 -6.553 -1.923 -1.736 164 HD12 ILE 17 1HD1 ILE 17 -5.020 -2.806 -1.953 165 HD13 ILE 17 2HD1 ILE 17 -6.503 -3.689 -1.537 166 H ASP 18 H ASP 18 -1.725 0.306 -1.261 167 HA ASP 18 HA ASP 18 -0.886 1.986 1.102 168 HB2 ASP 18 1HB ASP 18 1.179 2.302 -0.142 169 HB3 ASP 18 2HB ASP 18 0.815 0.616 0.110 170 H ILE 19 H ILE 19 -2.195 3.723 1.284 171 HA ILE 19 HA ILE 19 -2.180 5.750 -0.946 172 HB ILE 19 HB ILE 19 -4.616 6.194 -0.954 173 HG12 ILE 19 1HG1 ILE 19 -6.081 3.960 -0.399 174 HG13 ILE 19 2HG1 ILE 19 -4.855 3.706 0.817 175 HG21 ILE 19 1HG2 ILE 19 -5.251 4.503 -2.583 176 HG22 ILE 19 2HG2 ILE 19 -3.535 4.909 -2.799 177 HG23 ILE 19 3HG2 ILE 19 -3.989 3.389 -2.004 178 HD11 ILE 19 3HD1 ILE 19 -6.907 4.995 1.639 179 HD12 ILE 19 1HD1 ILE 19 -5.419 5.943 1.851 180 HD13 ILE 19 2HD1 ILE 19 -6.533 6.310 0.507 181 H ARG 20 H ARG 20 -2.482 7.861 -0.385 182 HA ARG 20 HA ARG 20 -2.352 8.416 2.610 183 HE ARG 20 HE ARG 20 0.183 13.492 -0.946 184 HB2 ARG 20 1HB ARG 20 -0.941 10.193 2.329 185 HB3 ARG 20 2HB ARG 20 -0.253 8.912 1.385 186 HG2 ARG 20 1HG ARG 20 -0.592 10.031 -0.709 187 HG3 ARG 20 2HG ARG 20 -1.998 10.889 -0.166 188 HD2 ARG 20 1HD ARG 20 -0.115 12.084 1.541 189 HD3 ARG 20 2HD ARG 20 0.947 11.575 0.262 190 HH11 ARG 20 2HH1 ARG 20 -2.438 12.502 1.098 191 HH12 ARG 20 1HH1 ARG 20 -3.245 14.147 0.998 192 HH21 ARG 20 2HH2 ARG 20 -0.796 15.312 -1.131 193 HH22 ARG 20 1HH2 ARG 20 -2.404 15.582 -0.306 194 H VAL 21 H VAL 21 -3.445 9.986 3.595 195 HA VAL 21 HA VAL 21 -5.913 11.145 2.159 196 HB VAL 21 HB VAL 21 -7.255 10.201 4.114 197 HG11 VAL 21 1HG1 VAL 21 -6.070 8.100 2.216 198 HG12 VAL 21 2HG1 VAL 21 -7.646 8.009 3.046 199 HG13 VAL 21 3HG1 VAL 21 -7.362 9.230 1.786 200 HG21 VAL 21 3HG2 VAL 21 -4.887 8.282 4.577 201 HG22 VAL 21 1HG2 VAL 21 -5.496 9.494 5.726 202 HG23 VAL 21 2HG2 VAL 21 -6.517 8.118 5.263 203 H SER 22 H SER 22 -5.774 13.346 2.543 204 HA SER 22 HA SER 22 -4.237 14.194 5.080 205 HG SER 22 HG SER 22 -4.830 16.053 2.162 206 HB2 SER 22 1HB SER 22 -3.177 16.048 3.865 207 HB3 SER 22 2HB SER 22 -2.691 14.482 3.237 208 H THR 23 H THR 23 -6.173 14.401 6.101 209 HA THR 23 HA THR 23 -7.349 17.066 6.272 210 HB THR 23 HB THR 23 -8.484 16.863 4.217 211 HG1 THR 23 HG1 THR 23 -9.827 17.519 5.948 212 HG21 THR 23 3HG2 THR 23 -8.329 14.467 3.688 213 HG22 THR 23 1HG2 THR 23 -9.465 14.057 4.981 214 HG23 THR 23 2HG2 THR 23 -10.012 15.001 3.559 215 H GLY 24 H GLY 24 -8.251 13.658 6.815 216 HA2 GLY 24 1HA GLY 24 -9.021 13.038 9.298 217 HA3 GLY 24 2HA GLY 24 -9.884 14.562 9.293 218 H LYS 25 H LYS 25 -11.165 14.690 6.941 219 HA LYS 25 HA LYS 25 -13.344 12.670 7.181 220 HB2 LYS 25 1HB LYS 25 -12.846 15.039 5.300 221 HB3 LYS 25 2HB LYS 25 -14.145 13.935 4.952 222 HG2 LYS 25 1HG LYS 25 -13.921 15.184 7.758 223 HG3 LYS 25 2HG LYS 25 -14.623 16.093 6.438 224 HD2 LYS 25 1HD LYS 25 -16.444 14.587 6.105 225 HD3 LYS 25 2HD LYS 25 -15.708 13.253 6.952 226 HE2 LYS 25 1HE LYS 25 -16.501 15.865 8.451 227 HE3 LYS 25 2HE LYS 25 -17.671 14.588 8.113 228 HZ1 LYS 25 3HZ LYS 25 -15.113 14.108 9.662 229 HZ2 LYS 25 1HZ LYS 25 -16.635 14.064 10.300 230 HZ3 LYS 25 2HZ LYS 25 -16.152 12.932 9.233 231 H GLU 26 H GLU 26 -10.899 13.062 4.551 232 HA GLU 26 HA GLU 26 -11.470 10.566 3.142 233 HB2 GLU 26 1HB GLU 26 -8.761 11.943 3.641 234 HB3 GLU 26 2HB GLU 26 -8.994 10.559 2.593 235 HG2 GLU 26 1HG GLU 26 -10.428 11.828 1.034 236 HG3 GLU 26 2HG GLU 26 -10.306 13.274 2.027 237 H LEU 27 H LEU 27 -9.451 11.044 6.071 238 HA LEU 27 HA LEU 27 -8.666 8.190 6.334 239 HG LEU 27 HG LEU 27 -8.372 8.220 9.537 240 HB2 LEU 27 1HB LEU 27 -7.320 10.068 7.300 241 HB3 LEU 27 2HB LEU 27 -8.631 10.467 8.393 242 HD11 LEU 27 1HD1 LEU 27 -5.857 7.877 7.756 243 HD12 LEU 27 2HD1 LEU 27 -6.318 6.846 9.130 244 HD13 LEU 27 3HD1 LEU 27 -7.327 6.872 7.681 245 HD21 LEU 27 3HD2 LEU 27 -6.260 8.803 10.727 246 HD22 LEU 27 1HD2 LEU 27 -5.797 9.929 9.431 247 HD23 LEU 27 2HD2 LEU 27 -7.230 10.257 10.435 248 H GLU 28 H GLU 28 -11.219 10.094 8.014 249 HA GLU 28 HA GLU 28 -12.578 7.944 9.408 250 HB2 GLU 28 1HB GLU 28 -12.932 10.430 9.628 251 HB3 GLU 28 2HB GLU 28 -13.648 10.477 8.025 252 HG2 GLU 28 1HG GLU 28 -15.548 8.937 8.922 253 HG3 GLU 28 2HG GLU 28 -14.830 9.091 10.529 254 H ARG 29 H ARG 29 -13.275 9.087 6.053 255 HA ARG 29 HA ARG 29 -15.157 6.909 5.382 256 HE ARG 29 HE ARG 29 -16.916 11.946 3.212 257 HB2 ARG 29 1HB ARG 29 -13.487 8.787 3.599 258 HB3 ARG 29 2HB ARG 29 -14.597 7.598 2.944 259 HG2 ARG 29 1HG ARG 29 -16.521 8.638 4.236 260 HG3 ARG 29 2HG ARG 29 -15.438 9.870 4.863 261 HD2 ARG 29 1HD ARG 29 -14.952 10.707 2.551 262 HD3 ARG 29 2HD ARG 29 -15.936 9.460 1.821 263 HH11 ARG 29 2HH1 ARG 29 -17.906 8.779 2.221 264 HH12 ARG 29 1HH1 ARG 29 -19.676 9.248 2.172 265 HH21 ARG 29 2HH2 ARG 29 -18.928 12.467 3.154 266 HH22 ARG 29 1HH2 ARG 29 -20.200 11.252 2.691 267 H ALA 30 H ALA 30 -11.616 7.101 4.646 268 HA ALA 30 HA ALA 30 -11.412 4.401 3.522 269 HB1 ALA 30 3HB ALA 30 -8.944 4.717 3.927 270 HB2 ALA 30 1HB ALA 30 -9.677 6.148 3.173 271 HB3 ALA 30 2HB ALA 30 -9.282 6.162 4.908 272 H LEU 31 H LEU 31 -10.733 5.436 6.947 273 HA LEU 31 HA LEU 31 -10.215 2.713 7.913 274 HG LEU 31 HG LEU 31 -11.104 2.986 10.814 275 HB2 LEU 31 1HB LEU 31 -9.463 4.868 9.009 276 HB3 LEU 31 2HB LEU 31 -11.123 5.208 9.442 277 HD11 LEU 31 1HD1 LEU 31 -9.086 1.884 9.812 278 HD12 LEU 31 2HD1 LEU 31 -8.046 3.223 10.361 279 HD13 LEU 31 3HD1 LEU 31 -8.837 2.155 11.544 280 HD21 LEU 31 3HD2 LEU 31 -10.959 5.246 11.865 281 HD22 LEU 31 1HD2 LEU 31 -9.975 4.058 12.737 282 HD23 LEU 31 2HD2 LEU 31 -9.188 5.251 11.668 283 H GLN 32 H GLN 32 -13.332 4.537 7.837 284 HA GLN 32 HA GLN 32 -15.036 2.495 9.038 285 HB2 GLN 32 1HB GLN 32 -15.681 4.873 8.541 286 HB3 GLN 32 2HB GLN 32 -15.575 4.564 6.816 287 HG2 GLN 32 1HG GLN 32 -17.463 2.821 7.092 288 HG3 GLN 32 2HG GLN 32 -17.605 3.293 8.776 289 HE21 GLN 32 1HE2 GLN 32 -18.364 5.549 9.159 290 HE22 GLN 32 2HE2 GLN 32 -19.345 6.342 7.814 291 H GLU 33 H GLU 33 -14.199 2.874 5.518 292 HA GLU 33 HA GLU 33 -15.317 0.204 4.873 293 HB2 GLU 33 1HB GLU 33 -15.268 1.967 3.171 294 HB3 GLU 33 2HB GLU 33 -13.514 1.901 3.121 295 HG2 GLU 33 1HG GLU 33 -14.517 0.634 1.218 296 HG3 GLU 33 2HG GLU 33 -13.597 -0.461 2.222 297 H LEU 34 H LEU 34 -11.910 1.123 5.743 298 HA LEU 34 HA LEU 34 -10.823 -1.581 5.466 299 HG LEU 34 HG LEU 34 -9.456 1.325 5.422 300 HB2 LEU 34 1HB LEU 34 -10.113 0.388 7.698 301 HB3 LEU 34 2HB LEU 34 -9.232 -1.073 7.327 302 HD11 LEU 34 1HD1 LEU 34 -8.090 1.763 7.499 303 HD12 LEU 34 2HD1 LEU 34 -7.114 0.313 7.166 304 HD13 LEU 34 3HD1 LEU 34 -7.069 1.707 6.062 305 HD21 LEU 34 3HD2 LEU 34 -7.797 -1.269 5.149 306 HD22 LEU 34 1HD2 LEU 34 -9.148 -0.774 4.101 307 HD23 LEU 34 2HD2 LEU 34 -7.652 0.166 4.099 308 H GLU 35 H GLU 35 -12.514 -0.279 8.335 309 HA GLU 35 HA GLU 35 -12.713 -2.696 9.935 310 HB2 GLU 35 1HB GLU 35 -13.419 -0.184 10.386 311 HB3 GLU 35 2HB GLU 35 -14.943 -0.589 9.654 312 HG2 GLU 35 1HG GLU 35 -13.740 -1.889 12.188 313 HG3 GLU 35 2HG GLU 35 -14.952 -0.631 12.147 314 H LYS 36 H LYS 36 -15.028 -1.559 7.475 315 HA LYS 36 HA LYS 36 -16.666 -4.009 7.319 316 HB2 LYS 36 1HB LYS 36 -16.173 -1.767 5.278 317 HB3 LYS 36 2HB LYS 36 -17.359 -3.005 5.035 318 HG2 LYS 36 1HG LYS 36 -18.863 -2.203 6.720 319 HG3 LYS 36 2HG LYS 36 -17.603 -1.402 7.619 320 HD2 LYS 36 1HD LYS 36 -18.940 0.341 6.592 321 HD3 LYS 36 2HD LYS 36 -17.323 0.366 5.976 322 HE2 LYS 36 1HE LYS 36 -18.429 0.729 3.978 323 HE3 LYS 36 2HE LYS 36 -18.207 -0.997 3.878 324 HZ1 LYS 36 3HZ LYS 36 -20.572 -0.392 3.437 325 HZ2 LYS 36 1HZ LYS 36 -20.511 -1.281 4.831 326 HZ3 LYS 36 2HZ LYS 36 -20.709 0.347 4.902 327 H ALA 37 H ALA 37 -13.932 -2.989 5.118 328 HA ALA 37 HA ALA 37 -13.815 -5.388 3.504 329 HB1 ALA 37 3HB ALA 37 -11.555 -3.441 4.256 330 HB2 ALA 37 1HB ALA 37 -11.574 -4.541 2.858 331 HB3 ALA 37 2HB ALA 37 -12.737 -3.202 2.948 332 H LEU 38 H LEU 38 -12.019 -4.802 6.592 333 HA LEU 38 HA LEU 38 -10.582 -7.348 6.615 334 HG LEU 38 HG LEU 38 -8.686 -6.731 8.178 335 HB2 LEU 38 1HB LEU 38 -11.382 -5.341 8.775 336 HB3 LEU 38 2HB LEU 38 -10.870 -6.922 9.284 337 HD11 LEU 38 1HD1 LEU 38 -7.805 -4.634 7.229 338 HD12 LEU 38 2HD1 LEU 38 -9.200 -5.154 6.271 339 HD13 LEU 38 3HD1 LEU 38 -9.368 -3.821 7.436 340 HD21 LEU 38 3HD2 LEU 38 -7.712 -5.035 9.728 341 HD22 LEU 38 1HD2 LEU 38 -9.335 -4.357 10.028 342 HD23 LEU 38 2HD2 LEU 38 -8.942 -6.018 10.537 343 H ALA 39 H ALA 39 -13.854 -6.714 7.904 344 HA ALA 39 HA ALA 39 -14.417 -9.607 8.448 345 HB1 ALA 39 3HB ALA 39 -16.349 -7.210 8.185 346 HB2 ALA 39 1HB ALA 39 -16.734 -8.812 8.861 347 HB3 ALA 39 2HB ALA 39 -15.571 -7.760 9.690 348 H ARG 40 H ARG 40 -15.410 -7.428 5.718 349 HA ARG 40 HA ARG 40 -16.820 -9.456 4.169 350 HE ARG 40 HE ARG 40 -16.436 -3.973 2.780 351 HB2 ARG 40 1HB ARG 40 -15.512 -6.774 3.499 352 HB3 ARG 40 2HB ARG 40 -16.012 -7.758 2.171 353 HG2 ARG 40 1HG ARG 40 -18.257 -7.454 2.472 354 HG3 ARG 40 2HG ARG 40 -18.180 -7.518 4.210 355 HD2 ARG 40 1HD ARG 40 -18.971 -5.296 3.498 356 HD3 ARG 40 2HD ARG 40 -17.551 -5.254 4.483 357 HH11 ARG 40 2HH1 ARG 40 -18.869 -5.830 1.201 358 HH12 ARG 40 1HH1 ARG 40 -18.657 -4.895 -0.367 359 HH21 ARG 40 2HH2 ARG 40 -16.340 -2.837 1.186 360 HH22 ARG 40 1HH2 ARG 40 -17.211 -3.256 -0.384 361 H ALA 41 H ALA 41 -13.373 -8.603 3.788 362 HA ALA 41 HA ALA 41 -12.967 -10.797 1.741 363 HB1 ALA 41 3HB ALA 41 -10.960 -8.882 3.107 364 HB2 ALA 41 1HB ALA 41 -10.613 -9.949 1.728 365 HB3 ALA 41 2HB ALA 41 -11.768 -8.615 1.540 366 H GLY 42 H GLY 42 -12.737 -10.726 5.216 367 HA2 GLY 42 1HA GLY 42 -12.075 -12.529 6.741 368 HA3 GLY 42 2HA GLY 42 -11.693 -13.545 5.366 369 H ALA 43 H ALA 43 -10.470 -10.560 6.904 370 HA ALA 43 HA ALA 43 -7.748 -11.003 5.815 371 HB1 ALA 43 3HB ALA 43 -8.899 -8.800 5.905 372 HB2 ALA 43 1HB ALA 43 -8.799 -8.829 7.691 373 HB3 ALA 43 2HB ALA 43 -7.324 -8.764 6.698 374 H ARG 44 H ARG 44 -7.155 -12.915 6.800 375 HA ARG 44 HA ARG 44 -6.853 -13.534 9.540 376 HE ARG 44 HE ARG 44 -3.145 -17.945 9.294 377 HB2 ARG 44 1HB ARG 44 -6.691 -15.054 7.510 378 HB3 ARG 44 2HB ARG 44 -5.081 -14.424 7.178 379 HG2 ARG 44 1HG ARG 44 -4.365 -15.352 9.515 380 HG3 ARG 44 2HG ARG 44 -5.959 -16.095 9.627 381 HD2 ARG 44 1HD ARG 44 -5.437 -17.330 7.370 382 HD3 ARG 44 2HD ARG 44 -3.859 -16.588 7.395 383 HH11 ARG 44 2HH1 ARG 44 -6.456 -18.627 8.498 384 HH12 ARG 44 1HH1 ARG 44 -6.459 -20.173 9.477 385 HH21 ARG 44 2HH2 ARG 44 -3.162 -19.708 10.372 386 HH22 ARG 44 1HH2 ARG 44 -4.664 -20.732 10.487 387 H ASN 45 H ASN 45 -4.364 -11.813 7.671 388 HA ASN 45 HA ASN 45 -2.678 -11.426 10.210 389 HB2 ASN 45 1HB ASN 45 -1.473 -12.365 7.551 390 HB3 ASN 45 2HB ASN 45 -0.587 -12.008 9.015 391 HD21 ASN 45 1HD2 ASN 45 -1.370 -14.484 7.198 392 HD22 ASN 45 2HD2 ASN 45 -1.311 -15.754 8.536 393 H VAL 46 H VAL 46 -2.884 -9.205 10.314 394 HA VAL 46 HA VAL 46 -2.607 -7.585 7.697 395 HB VAL 46 HB VAL 46 -4.430 -6.749 10.004 396 HG11 VAL 46 1HG1 VAL 46 -4.358 -5.861 7.034 397 HG12 VAL 46 2HG1 VAL 46 -5.454 -5.243 8.296 398 HG13 VAL 46 3HG1 VAL 46 -3.719 -4.918 8.392 399 HG21 VAL 46 3HG2 VAL 46 -5.276 -8.323 7.501 400 HG22 VAL 46 1HG2 VAL 46 -5.451 -8.843 9.188 401 HG23 VAL 46 2HG2 VAL 46 -6.407 -7.479 8.601 402 H GLN 47 H GLN 47 -0.842 -6.393 7.718 403 HA GLN 47 HA GLN 47 0.088 -5.022 10.291 404 HB2 GLN 47 1HB GLN 47 2.124 -4.293 9.260 405 HB3 GLN 47 2HB GLN 47 1.950 -6.025 9.316 406 HG2 GLN 47 1HG GLN 47 2.730 -6.019 7.204 407 HG3 GLN 47 2HG GLN 47 1.091 -5.692 6.758 408 HE21 GLN 47 1HE2 GLN 47 0.876 -2.920 7.019 409 HE22 GLN 47 2HE2 GLN 47 2.124 -2.174 5.897 410 H ILE 48 H ILE 48 -0.946 -3.265 10.729 411 HA ILE 48 HA ILE 48 -1.878 -1.343 8.524 412 HB ILE 48 HB ILE 48 -2.458 -1.310 11.550 413 HG12 ILE 48 1HG1 ILE 48 -4.947 -1.544 10.635 414 HG13 ILE 48 2HG1 ILE 48 -4.215 -2.202 9.186 415 HG21 ILE 48 1HG2 ILE 48 -4.078 0.566 11.008 416 HG22 ILE 48 2HG2 ILE 48 -2.397 1.006 10.703 417 HG23 ILE 48 3HG2 ILE 48 -3.455 0.614 9.349 418 HD11 ILE 48 3HD1 ILE 48 -3.833 -3.329 12.061 419 HD12 ILE 48 1HD1 ILE 48 -4.958 -3.971 10.838 420 HD13 ILE 48 2HD1 ILE 48 -3.215 -4.092 10.585 421 H THR 49 H THR 49 -0.051 -0.220 7.857 422 HA THR 49 HA THR 49 1.791 0.943 9.998 423 HB THR 49 HB THR 49 2.402 0.610 7.025 424 HG1 THR 49 HG1 THR 49 3.929 -0.838 7.865 425 HG21 THR 49 3HG2 THR 49 4.211 1.591 9.361 426 HG22 THR 49 1HG2 THR 49 4.756 1.280 7.695 427 HG23 THR 49 2HG2 THR 49 3.627 2.605 8.025 428 H ILE 50 H ILE 50 0.999 2.757 10.645 429 HA ILE 50 HA ILE 50 -0.170 4.705 8.621 430 HB ILE 50 HB ILE 50 -1.676 3.913 10.466 431 HG12 ILE 50 1HG1 ILE 50 -1.402 6.957 10.253 432 HG13 ILE 50 2HG1 ILE 50 -1.970 5.948 8.939 433 HG21 ILE 50 1HG2 ILE 50 -0.059 5.852 12.265 434 HG22 ILE 50 2HG2 ILE 50 -1.614 5.135 12.691 435 HG23 ILE 50 3HG2 ILE 50 -0.208 4.084 12.460 436 HD11 ILE 50 3HD1 ILE 50 -3.910 5.105 10.263 437 HD12 ILE 50 1HD1 ILE 50 -3.423 6.118 11.643 438 HD13 ILE 50 2HD1 ILE 50 -3.916 6.877 10.111 439 H SER 51 H SER 51 1.096 6.262 7.963 440 HA SER 51 HA SER 51 3.527 7.108 9.664 441 HG SER 51 HG SER 51 5.501 7.697 6.995 442 HB2 SER 51 1HB SER 51 3.915 6.177 7.333 443 HB3 SER 51 2HB SER 51 3.168 7.646 6.681 444 H ALA 52 H ALA 52 2.900 8.682 10.970 445 HA ALA 52 HA ALA 52 1.100 10.959 10.050 446 HB1 ALA 52 3HB ALA 52 0.641 9.646 12.164 447 HB2 ALA 52 1HB ALA 52 2.183 10.218 12.849 448 HB3 ALA 52 2HB ALA 52 0.882 11.370 12.488 449 H GLU 53 H GLU 53 1.576 13.184 10.765 450 HA GLU 53 HA GLU 53 4.379 14.074 10.193 451 HB2 GLU 53 1HB GLU 53 1.949 15.752 11.013 452 HB3 GLU 53 2HB GLU 53 3.528 16.399 10.623 453 HG2 GLU 53 1HG GLU 53 3.374 15.330 8.304 454 HG3 GLU 53 2HG GLU 53 1.711 14.849 8.674 455 H ASN 54 H ASN 54 2.467 13.947 13.174 456 HA ASN 54 HA ASN 54 4.979 14.772 14.763 457 HB2 ASN 54 1HB ASN 54 2.058 14.959 15.714 458 HB3 ASN 54 2HB ASN 54 3.446 15.390 16.666 459 HD21 ASN 54 1HD2 ASN 54 4.837 17.173 15.558 460 HD22 ASN 54 2HD2 ASN 54 3.799 18.517 14.834 461 H ASP 55 H ASP 55 5.560 13.624 16.604 462 HA ASP 55 HA ASP 55 4.929 10.767 16.884 463 HB2 ASP 55 1HB ASP 55 7.072 12.015 17.611 464 HB3 ASP 55 2HB ASP 55 6.187 12.624 19.003 465 H GLU 56 H GLU 56 3.765 13.578 18.870 466 HA GLU 56 HA GLU 56 1.731 12.210 20.366 467 HB2 GLU 56 1HB GLU 56 1.640 15.085 19.306 468 HB3 GLU 56 2HB GLU 56 0.515 14.426 20.471 469 HG2 GLU 56 1HG GLU 56 3.547 14.726 20.986 470 HG3 GLU 56 2HG GLU 56 2.285 15.802 21.561 471 H GLN 57 H GLN 57 1.433 13.245 16.992 472 HA GLN 57 HA GLN 57 -1.448 12.484 16.639 473 HB2 GLN 57 1HB GLN 57 0.833 12.785 14.585 474 HB3 GLN 57 2HB GLN 57 -0.769 12.239 14.149 475 HG2 GLN 57 1HG GLN 57 -1.791 14.395 14.911 476 HG3 GLN 57 2HG GLN 57 -0.208 15.010 15.355 477 HE21 GLN 57 1HE2 GLN 57 0.432 16.446 13.725 478 HE22 GLN 57 2HE2 GLN 57 0.031 16.177 11.949 479 H ALA 58 H ALA 58 1.621 10.734 15.888 480 HA ALA 58 HA ALA 58 0.393 8.145 15.219 481 HB1 ALA 58 3HB ALA 58 2.745 7.320 15.504 482 HB2 ALA 58 1HB ALA 58 2.691 8.794 14.549 483 HB3 ALA 58 2HB ALA 58 3.220 8.854 16.252 484 H LYS 59 H LYS 59 1.606 9.315 18.372 485 HA LYS 59 HA LYS 59 0.873 7.090 20.112 486 HB2 LYS 59 1HB LYS 59 2.293 9.089 20.624 487 HB3 LYS 59 2HB LYS 59 0.908 10.138 20.412 488 HG2 LYS 59 1HG LYS 59 -0.161 9.037 22.493 489 HG3 LYS 59 2HG LYS 59 1.372 8.183 22.743 490 HD2 LYS 59 1HD LYS 59 2.604 10.430 22.718 491 HD3 LYS 59 2HD LYS 59 1.081 11.251 22.401 492 HE2 LYS 59 1HE LYS 59 0.159 10.460 24.636 493 HE3 LYS 59 2HE LYS 59 1.729 9.705 25.002 494 HZ1 LYS 59 3HZ LYS 59 1.636 12.160 25.798 495 HZ2 LYS 59 1HZ LYS 59 2.781 11.990 24.591 496 HZ3 LYS 59 2HZ LYS 59 1.431 12.640 24.209 497 H GLU 60 H GLU 60 -1.235 9.925 19.237 498 HA GLU 60 HA GLU 60 -3.696 8.797 20.434 499 HB2 GLU 60 1HB GLU 60 -3.337 10.958 18.267 500 HB3 GLU 60 2HB GLU 60 -4.880 10.525 18.983 501 HG2 GLU 60 1HG GLU 60 -3.976 11.186 21.299 502 HG3 GLU 60 2HG GLU 60 -2.496 11.743 20.520 503 H LEU 61 H LEU 61 -2.559 8.737 17.026 504 HA LEU 61 HA LEU 61 -4.727 7.053 15.986 505 HG LEU 61 HG LEU 61 -3.403 9.454 14.812 506 HB2 LEU 61 1HB LEU 61 -1.832 7.368 15.031 507 HB3 LEU 61 2HB LEU 61 -3.033 6.472 14.136 508 HD11 LEU 61 1HD1 LEU 61 -2.238 8.228 12.226 509 HD12 LEU 61 2HD1 LEU 61 -2.623 9.945 12.495 510 HD13 LEU 61 3HD1 LEU 61 -1.343 9.170 13.442 511 HD21 LEU 61 3HD2 LEU 61 -5.544 8.283 14.206 512 HD22 LEU 61 1HD2 LEU 61 -5.062 9.408 12.928 513 HD23 LEU 61 2HD2 LEU 61 -4.808 7.661 12.712 514 H LEU 62 H LEU 62 -1.715 5.983 17.637 515 HA LEU 62 HA LEU 62 -2.132 3.119 17.355 516 HG LEU 62 HG LEU 62 -1.224 2.534 20.542 517 HB2 LEU 62 1HB LEU 62 -0.044 4.122 18.186 518 HB3 LEU 62 2HB LEU 62 -0.851 4.770 19.594 519 HD11 LEU 62 1HD1 LEU 62 0.152 1.425 18.010 520 HD12 LEU 62 2HD1 LEU 62 -0.153 0.475 19.493 521 HD13 LEU 62 3HD1 LEU 62 -1.509 1.103 18.556 522 HD21 LEU 62 3HD2 LEU 62 1.150 1.970 21.051 523 HD22 LEU 62 1HD2 LEU 62 1.714 2.921 19.653 524 HD23 LEU 62 2HD2 LEU 62 0.929 3.727 21.033 525 H GLU 63 H GLU 63 -3.405 5.193 20.008 526 HA GLU 63 HA GLU 63 -5.240 3.229 21.228 527 HB2 GLU 63 1HB GLU 63 -4.850 5.130 22.507 528 HB3 GLU 63 2HB GLU 63 -5.016 6.255 21.178 529 HG2 GLU 63 1HG GLU 63 -6.823 6.587 22.776 530 HG3 GLU 63 2HG GLU 63 -7.450 6.160 21.208 531 H LEU 64 H LEU 64 -5.986 5.637 18.678 532 HA LEU 64 HA LEU 64 -8.680 4.706 18.204 533 HG LEU 64 HG LEU 64 -8.788 7.602 15.747 534 HB2 LEU 64 1HB LEU 64 -7.476 6.936 17.556 535 HB3 LEU 64 2HB LEU 64 -6.886 6.099 16.151 536 HD11 LEU 64 1HD1 LEU 64 -8.474 5.614 14.223 537 HD12 LEU 64 2HD1 LEU 64 -9.708 4.729 15.153 538 HD13 LEU 64 3HD1 LEU 64 -10.145 6.210 14.281 539 HD21 LEU 64 3HD2 LEU 64 -10.000 7.310 17.947 540 HD22 LEU 64 1HD2 LEU 64 -11.083 7.196 16.543 541 HD23 LEU 64 2HD2 LEU 64 -10.591 5.721 17.403 542 H ILE 65 H ILE 65 -5.760 3.664 16.381 543 HA ILE 65 HA ILE 65 -7.286 1.650 14.787 544 HB ILE 65 HB ILE 65 -4.302 1.545 15.318 545 HG12 ILE 65 1HG1 ILE 65 -5.455 2.723 12.721 546 HG13 ILE 65 2HG1 ILE 65 -5.047 3.746 14.076 547 HG21 ILE 65 1HG2 ILE 65 -4.228 0.088 13.238 548 HG22 ILE 65 2HG2 ILE 65 -5.369 -0.580 14.376 549 HG23 ILE 65 3HG2 ILE 65 -5.978 0.319 12.985 550 HD11 ILE 65 3HD1 ILE 65 -2.960 1.827 12.806 551 HD12 ILE 65 1HD1 ILE 65 -3.140 3.534 12.411 552 HD13 ILE 65 2HD1 ILE 65 -2.656 3.036 14.056 553 H ALA 66 H ALA 66 -5.217 1.239 17.809 554 HA ALA 66 HA ALA 66 -5.687 -1.650 18.052 555 HB1 ALA 66 3HB ALA 66 -5.014 0.404 20.246 556 HB2 ALA 66 1HB ALA 66 -4.857 -1.363 20.383 557 HB3 ALA 66 2HB ALA 66 -3.841 -0.471 19.231 558 H ARG 67 H ARG 67 -7.571 1.029 19.465 559 HA ARG 67 HA ARG 67 -9.662 -0.594 20.746 560 HE ARG 67 HE ARG 67 -13.201 3.024 22.256 561 HB2 ARG 67 1HB ARG 67 -8.991 1.833 21.101 562 HB3 ARG 67 2HB ARG 67 -9.685 2.253 19.546 563 HG2 ARG 67 1HG ARG 67 -11.963 1.805 20.348 564 HG3 ARG 67 2HG ARG 67 -11.368 1.004 21.818 565 HD2 ARG 67 1HD ARG 67 -10.278 3.094 22.609 566 HD3 ARG 67 2HD ARG 67 -10.705 3.951 21.125 567 HH11 ARG 67 2HH1 ARG 67 -10.579 5.237 23.211 568 HH12 ARG 67 1HH1 ARG 67 -11.792 6.322 24.051 569 HH21 ARG 67 2HH2 ARG 67 -14.479 4.334 23.230 570 HH22 ARG 67 1HH2 ARG 67 -13.857 5.831 24.066 571 H LEU 68 H LEU 68 -9.421 0.586 17.353 572 HA LEU 68 HA LEU 68 -11.954 -0.640 16.405 573 HG LEU 68 HG LEU 68 -12.006 -1.019 13.938 574 HB2 LEU 68 1HB LEU 68 -10.636 1.210 15.247 575 HB3 LEU 68 2HB LEU 68 -9.389 0.062 14.864 576 HD11 LEU 68 1HD1 LEU 68 -11.283 1.790 12.904 577 HD12 LEU 68 2HD1 LEU 68 -12.483 0.702 12.174 578 HD13 LEU 68 3HD1 LEU 68 -12.751 1.336 13.809 579 HD21 LEU 68 3HD2 LEU 68 -9.740 -1.723 13.063 580 HD22 LEU 68 1HD2 LEU 68 -10.835 -1.194 11.768 581 HD23 LEU 68 2HD2 LEU 68 -9.530 -0.119 12.323 582 H LEU 69 H LEU 69 -8.557 -1.813 16.306 583 HA LEU 69 HA LEU 69 -9.032 -4.459 15.117 584 HG LEU 69 HG LEU 69 -6.922 -2.185 14.899 585 HB2 LEU 69 1HB LEU 69 -6.843 -3.592 17.077 586 HB3 LEU 69 2HB LEU 69 -6.799 -5.027 16.080 587 HD11 LEU 69 1HD1 LEU 69 -4.521 -3.871 15.755 588 HD12 LEU 69 2HD1 LEU 69 -4.381 -2.700 14.428 589 HD13 LEU 69 3HD1 LEU 69 -4.863 -2.179 16.046 590 HD21 LEU 69 3HD2 LEU 69 -7.748 -3.864 13.305 591 HD22 LEU 69 1HD2 LEU 69 -6.214 -3.162 12.793 592 HD23 LEU 69 2HD2 LEU 69 -6.244 -4.804 13.489 593 H GLN 70 H GLN 70 -8.902 -3.650 18.611 594 HA GLN 70 HA GLN 70 -9.769 -6.226 19.720 595 HB2 GLN 70 1HB GLN 70 -10.368 -3.326 20.589 596 HB3 GLN 70 2HB GLN 70 -10.783 -4.720 21.562 597 HG2 GLN 70 1HG GLN 70 -8.438 -5.330 21.932 598 HG3 GLN 70 2HG GLN 70 -7.867 -4.170 20.739 599 HE21 GLN 70 1HE2 GLN 70 -6.667 -3.963 23.003 600 HE22 GLN 70 2HE2 GLN 70 -7.272 -2.473 23.908 601 H LYS 71 H LYS 71 -11.769 -3.535 18.470 602 HA LYS 71 HA LYS 71 -14.356 -4.995 18.762 603 HB2 LYS 71 1HB LYS 71 -13.978 -2.449 18.834 604 HB3 LYS 71 2HB LYS 71 -13.670 -2.483 17.127 605 HG2 LYS 71 1HG LYS 71 -16.260 -3.838 17.557 606 HG3 LYS 71 2HG LYS 71 -16.222 -2.498 18.656 607 HD2 LYS 71 1HD LYS 71 -17.299 -1.807 16.572 608 HD3 LYS 71 2HD LYS 71 -15.836 -0.882 16.813 609 HE2 LYS 71 1HE LYS 71 -16.084 -1.474 14.434 610 HE3 LYS 71 2HE LYS 71 -14.615 -2.191 15.063 611 HZ1 LYS 71 3HZ LYS 71 -15.769 -4.388 15.190 612 HZ2 LYS 71 1HZ LYS 71 -17.204 -3.715 14.705 613 HZ3 LYS 71 2HZ LYS 71 -15.928 -3.730 13.651 614 H LEU 72 H LEU 72 -12.005 -5.006 16.087 615 HA LEU 72 HA LEU 72 -13.809 -6.643 14.315 616 HG LEU 72 HG LEU 72 -10.992 -5.597 11.977 617 HB2 LEU 72 1HB LEU 72 -10.772 -6.188 14.322 618 HB3 LEU 72 2HB LEU 72 -11.462 -7.466 13.374 619 HD11 LEU 72 1HD1 LEU 72 -13.104 -5.410 10.738 620 HD12 LEU 72 2HD1 LEU 72 -12.958 -7.061 11.364 621 HD13 LEU 72 3HD1 LEU 72 -14.056 -5.893 12.146 622 HD21 LEU 72 3HD2 LEU 72 -12.995 -3.887 13.547 623 HD22 LEU 72 1HD2 LEU 72 -11.219 -3.715 13.562 624 HD23 LEU 72 2HD2 LEU 72 -12.119 -3.433 12.065 625 H GLY 73 H GLY 73 -11.098 -7.606 16.487 626 HA2 GLY 73 1HA GLY 73 -11.554 -9.645 17.975 627 HA3 GLY 73 2HA GLY 73 -12.306 -10.458 16.616 628 H TYR 74 H TYR 74 -9.227 -9.207 17.799 629 HA TYR 74 HA TYR 74 -7.725 -11.342 16.165 630 HD1 TYR 74 HD1 TYR 74 -5.871 -10.705 13.883 631 HD2 TYR 74 HD2 TYR 74 -8.731 -7.630 14.810 632 HE1 TYR 74 HE1 TYR 74 -6.435 -10.509 11.499 633 HE2 TYR 74 HE2 TYR 74 -9.297 -7.465 12.412 634 HH TYR 74 HH TYR 74 -7.903 -9.660 10.000 635 HB2 TYR 74 1HB TYR 74 -7.020 -8.355 16.519 636 HB3 TYR 74 2HB TYR 74 -5.824 -9.537 16.082 637 H LYS 75 H LYS 75 -6.464 -12.614 17.357 638 HA LYS 75 HA LYS 75 -6.144 -12.149 20.280 639 HB2 LYS 75 1HB LYS 75 -5.367 -14.312 20.520 640 HB3 LYS 75 2HB LYS 75 -6.601 -14.428 19.290 641 HG2 LYS 75 1HG LYS 75 -4.767 -14.571 17.496 642 HG3 LYS 75 2HG LYS 75 -3.560 -14.368 18.754 643 HD2 LYS 75 1HD LYS 75 -4.461 -16.508 19.892 644 HD3 LYS 75 2HD LYS 75 -5.418 -16.780 18.424 645 HE2 LYS 75 1HE LYS 75 -3.227 -16.639 17.042 646 HE3 LYS 75 2HE LYS 75 -2.319 -16.407 18.529 647 HZ1 LYS 75 3HZ LYS 75 -2.356 -18.812 17.952 648 HZ2 LYS 75 1HZ LYS 75 -3.229 -18.612 19.332 649 HZ3 LYS 75 2HZ LYS 75 -4.006 -18.837 17.904 650 H ASP 76 H ASP 76 -3.805 -11.944 17.581 651 HA ASP 76 HA ASP 76 -1.567 -11.195 19.544 652 HB2 ASP 76 1HB ASP 76 -1.561 -12.015 16.577 653 HB3 ASP 76 2HB ASP 76 -0.195 -11.217 17.309 654 H ILE 77 H ILE 77 -1.280 -9.058 19.800 655 HA ILE 77 HA ILE 77 -1.884 -7.145 17.471 656 HB ILE 77 HB ILE 77 -2.156 -6.392 20.433 657 HG12 ILE 77 1HG1 ILE 77 -4.005 -7.927 20.081 658 HG13 ILE 77 2HG1 ILE 77 -4.540 -6.300 20.392 659 HG21 ILE 77 1HG2 ILE 77 -1.625 -4.444 18.992 660 HG22 ILE 77 2HG2 ILE 77 -3.007 -4.803 17.930 661 HG23 ILE 77 3HG2 ILE 77 -3.276 -4.299 19.615 662 HD11 ILE 77 3HD1 ILE 77 -4.588 -7.697 17.634 663 HD12 ILE 77 1HD1 ILE 77 -5.979 -7.355 18.681 664 HD13 ILE 77 2HD1 ILE 77 -5.107 -6.010 17.914 665 H ASN 78 H ASN 78 0.286 -7.327 16.756 666 HA ASN 78 HA ASN 78 2.531 -6.698 18.735 667 HB2 ASN 78 1HB ASN 78 2.576 -8.808 17.438 668 HB3 ASN 78 2HB ASN 78 2.585 -7.927 15.922 669 HD21 ASN 78 1HD2 ASN 78 4.628 -8.815 15.296 670 HD22 ASN 78 2HD2 ASN 78 6.143 -8.396 16.260 671 H VAL 79 H VAL 79 2.352 -4.455 18.946 672 HA VAL 79 HA VAL 79 2.675 -2.682 16.568 673 HB VAL 79 HB VAL 79 1.225 -1.987 18.385 674 HG11 VAL 79 1HG1 VAL 79 3.692 -1.523 20.189 675 HG12 VAL 79 2HG1 VAL 79 1.995 -1.120 20.554 676 HG13 VAL 79 3HG1 VAL 79 2.496 -2.815 20.430 677 HG21 VAL 79 3HG2 VAL 79 2.065 0.392 18.556 678 HG22 VAL 79 1HG2 VAL 79 3.632 -0.120 17.920 679 HG23 VAL 79 2HG2 VAL 79 2.180 -0.262 16.901 680 H ARG 80 H ARG 80 4.486 -2.033 15.710 681 HA ARG 80 HA ARG 80 7.012 -1.743 17.435 682 HE ARG 80 HE ARG 80 9.835 -0.110 15.975 683 HB2 ARG 80 1HB ARG 80 7.184 -3.793 16.069 684 HB3 ARG 80 2HB ARG 80 6.972 -2.898 14.585 685 HG2 ARG 80 1HG ARG 80 9.306 -2.370 16.563 686 HG3 ARG 80 2HG ARG 80 9.365 -3.611 15.359 687 HD2 ARG 80 1HD ARG 80 10.102 -2.220 13.786 688 HD3 ARG 80 2HD ARG 80 8.595 -1.308 13.808 689 HH11 ARG 80 2HH1 ARG 80 11.056 -0.727 12.760 690 HH12 ARG 80 1HH1 ARG 80 12.161 0.732 12.867 691 HH21 ARG 80 2HH2 ARG 80 10.996 1.564 15.946 692 HH22 ARG 80 1HH2 ARG 80 12.132 1.913 14.557 693 H VAL 81 H VAL 81 7.125 0.374 17.684 694 HA VAL 81 HA VAL 81 6.113 2.294 15.604 695 HB VAL 81 HB VAL 81 7.217 2.935 18.398 696 HG11 VAL 81 1HG1 VAL 81 7.101 4.972 16.946 697 HG12 VAL 81 2HG1 VAL 81 5.426 4.615 16.502 698 HG13 VAL 81 3HG1 VAL 81 5.840 5.061 18.173 699 HG21 VAL 81 3HG2 VAL 81 4.821 3.125 19.175 700 HG22 VAL 81 1HG2 VAL 81 4.260 2.443 17.629 701 HG23 VAL 81 2HG2 VAL 81 5.237 1.466 18.743 702 H ASN 82 H ASN 82 7.372 3.431 14.217 703 HA ASN 82 HA ASN 82 10.373 3.839 14.838 704 HB2 ASN 82 1HB ASN 82 9.712 2.336 12.772 705 HB3 ASN 82 2HB ASN 82 9.169 3.798 12.010 706 HD21 ASN 82 1HD2 ASN 82 10.702 4.639 10.670 707 HD22 ASN 82 2HD2 ASN 82 12.515 4.497 11.005 708 H GLY 83 H GLY 83 9.363 5.521 16.205 709 HA2 GLY 83 1HA GLY 83 9.023 7.863 16.687 710 HA3 GLY 83 2HA GLY 83 9.565 8.266 15.074 711 H THR 84 H THR 84 7.987 8.389 13.445 712 HA THR 84 HA THR 84 5.126 8.822 14.426 713 HB THR 84 HB THR 84 4.608 10.399 12.905 714 HG1 THR 84 HG1 THR 84 5.376 10.646 11.019 715 HG21 THR 84 3HG2 THR 84 6.147 12.271 13.038 716 HG22 THR 84 1HG2 THR 84 6.299 11.361 14.564 717 HG23 THR 84 2HG2 THR 84 7.543 11.203 13.310 718 H GLU 85 H GLU 85 6.890 6.561 12.651 719 HA GLU 85 HA GLU 85 4.522 5.567 11.023 720 HB2 GLU 85 1HB GLU 85 7.296 4.378 11.405 721 HB3 GLU 85 2HB GLU 85 6.072 3.708 10.352 722 HG2 GLU 85 1HG GLU 85 6.243 5.623 8.791 723 HG3 GLU 85 2HG GLU 85 7.295 6.510 9.897 724 H VAL 86 H VAL 86 3.027 4.592 12.263 725 HA VAL 86 HA VAL 86 3.848 2.623 14.509 726 HB VAL 86 HB VAL 86 1.325 4.271 14.022 727 HG11 VAL 86 1HG1 VAL 86 1.517 1.941 16.036 728 HG12 VAL 86 2HG1 VAL 86 0.217 3.163 15.972 729 HG13 VAL 86 3HG1 VAL 86 0.425 2.038 14.631 730 HG21 VAL 86 3HG2 VAL 86 1.728 5.138 16.268 731 HG22 VAL 86 1HG2 VAL 86 3.018 3.962 16.584 732 HG23 VAL 86 2HG2 VAL 86 3.269 5.238 15.384 733 H LYS 87 H LYS 87 4.371 0.769 13.403 734 HA LYS 87 HA LYS 87 2.293 -0.459 11.551 735 HB2 LYS 87 1HB LYS 87 3.701 -2.166 10.926 736 HB3 LYS 87 2HB LYS 87 4.519 -0.654 10.718 737 HG2 LYS 87 1HG LYS 87 6.279 -1.219 12.046 738 HG3 LYS 87 2HG LYS 87 5.305 -1.840 13.335 739 HD2 LYS 87 1HD LYS 87 5.858 -3.455 10.760 740 HD3 LYS 87 2HD LYS 87 6.914 -3.485 12.161 741 HE2 LYS 87 1HE LYS 87 4.970 -4.336 13.625 742 HE3 LYS 87 2HE LYS 87 3.933 -4.348 12.212 743 HZ1 LYS 87 3HZ LYS 87 6.503 -5.953 12.436 744 HZ2 LYS 87 1HZ LYS 87 5.040 -6.655 12.557 745 HZ3 LYS 87 2HZ LYS 87 5.510 -5.992 11.139 746 H ILE 88 H ILE 88 0.535 -1.000 12.774 747 HA ILE 88 HA ILE 88 0.967 -2.939 15.096 748 HB ILE 88 HB ILE 88 -1.714 -1.906 14.134 749 HG12 ILE 88 1HG1 ILE 88 -0.334 -0.905 16.708 750 HG13 ILE 88 2HG1 ILE 88 0.040 -0.133 15.191 751 HG21 ILE 88 1HG2 ILE 88 -1.888 -4.022 15.459 752 HG22 ILE 88 2HG2 ILE 88 -0.808 -3.392 16.717 753 HG23 ILE 88 3HG2 ILE 88 -2.422 -2.689 16.497 754 HD11 ILE 88 3HD1 ILE 88 -2.385 0.356 14.754 755 HD12 ILE 88 1HD1 ILE 88 -2.811 -0.325 16.347 756 HD13 ILE 88 2HD1 ILE 88 -1.782 1.123 16.227 757 H GLU 89 H GLU 89 1.485 -4.853 14.461 758 HA GLU 89 HA GLU 89 0.367 -6.263 12.008 759 HB2 GLU 89 1HB GLU 89 2.743 -6.280 12.346 760 HB3 GLU 89 2HB GLU 89 2.599 -6.743 14.030 761 HG2 GLU 89 1HG GLU 89 1.562 -9.028 13.048 762 HG3 GLU 89 2HG GLU 89 2.324 -8.519 11.539 763 H VAL 90 H VAL 90 -1.654 -6.958 12.390 764 HA VAL 90 HA VAL 90 -2.240 -8.421 14.996 765 HB VAL 90 HB VAL 90 -4.578 -8.257 14.656 766 HG11 VAL 90 1HG1 VAL 90 -3.351 -6.482 15.951 767 HG12 VAL 90 2HG1 VAL 90 -3.361 -5.459 14.496 768 HG13 VAL 90 3HG1 VAL 90 -4.897 -5.958 15.264 769 HG21 VAL 90 3HG2 VAL 90 -5.731 -6.901 13.023 770 HG22 VAL 90 1HG2 VAL 90 -4.204 -6.328 12.290 771 HG23 VAL 90 2HG2 VAL 90 -4.725 -8.025 12.116 772 H ARG 91 H ARG 91 -2.528 -10.470 15.069 773 HA ARG 91 HA ARG 91 -2.974 -12.081 12.460 774 HE ARG 91 HE ARG 91 2.619 -11.319 13.553 775 HB2 ARG 91 1HB ARG 91 -0.901 -12.699 14.625 776 HB3 ARG 91 2HB ARG 91 -1.374 -13.835 13.375 777 HG2 ARG 91 1HG ARG 91 -0.607 -12.269 11.584 778 HG3 ARG 91 2HG ARG 91 -0.136 -11.066 12.757 779 HD2 ARG 91 1HD ARG 91 1.142 -13.904 12.751 780 HD3 ARG 91 2HD ARG 91 1.688 -12.636 11.694 781 HH11 ARG 91 2HH1 ARG 91 0.989 -14.116 14.812 782 HH12 ARG 91 1HH1 ARG 91 1.339 -13.569 16.538 783 HH21 ARG 91 2HH2 ARG 91 3.155 -10.903 15.345 784 HH22 ARG 91 1HH2 ARG 91 2.676 -11.952 16.810 785 H VAL 92 H VAL 92 -4.567 -13.468 12.499 786 HA VAL 92 HA VAL 92 -6.090 -14.068 15.017 787 HB VAL 92 HB VAL 92 -6.550 -15.195 12.181 788 HG11 VAL 92 1HG1 VAL 92 -7.752 -16.547 13.961 789 HG12 VAL 92 2HG1 VAL 92 -8.515 -15.064 14.579 790 HG13 VAL 92 3HG1 VAL 92 -8.898 -15.658 12.947 791 HG21 VAL 92 3HG2 VAL 92 -8.403 -13.506 11.947 792 HG22 VAL 92 1HG2 VAL 92 -7.948 -12.762 13.498 793 HG23 VAL 92 2HG2 VAL 92 -6.836 -12.717 12.111 Start of MODEL 20 1 H HIS -1 H HIS -1 7.397 17.263 6.021 2 HA HIS -1 HA HIS -1 8.158 15.020 6.504 3 HD2 HIS -1 HD2 HIS -1 7.296 18.753 8.633 4 HE1 HIS -1 HE1 HIS -1 11.293 17.715 9.233 5 HE2 HIS -1 HE2 HIS -1 9.709 19.751 9.201 6 HB2 HIS -1 1HB HIS -1 6.244 16.286 8.567 7 HB3 HIS -1 2HB HIS -1 7.326 14.972 8.938 8 H MET 0 H MET 0 7.367 13.369 5.226 9 HA MET 0 HA MET 0 6.273 11.359 4.769 10 HB2 MET 0 1HB MET 0 5.019 11.538 7.557 11 HB3 MET 0 2HB MET 0 4.910 10.151 6.498 12 HG2 MET 0 1HG MET 0 7.440 9.901 6.521 13 HG3 MET 0 2HG MET 0 7.543 11.272 7.652 14 HE1 MET 0 3HE MET 0 8.827 9.584 9.388 15 HE2 MET 0 1HE MET 0 8.140 8.004 9.866 16 HE3 MET 0 2HE MET 0 8.645 8.279 8.170 17 H LYS 1 H LYS 1 3.780 13.390 6.176 18 HA LYS 1 HA LYS 1 1.604 13.873 5.577 19 HB2 LYS 1 1HB LYS 1 2.551 14.123 3.145 20 HB3 LYS 1 2HB LYS 1 1.734 12.613 2.845 21 HG2 LYS 1 1HG LYS 1 -0.079 13.874 2.315 22 HG3 LYS 1 2HG LYS 1 -0.389 13.984 4.022 23 HD2 LYS 1 1HD LYS 1 1.205 16.018 2.323 24 HD3 LYS 1 2HD LYS 1 -0.476 16.198 2.725 25 HE2 LYS 1 1HE LYS 1 1.827 16.200 4.805 26 HE3 LYS 1 2HE LYS 1 1.139 17.638 4.073 27 HZ1 LYS 1 3HZ LYS 1 -1.159 16.730 5.086 28 HZ2 LYS 1 1HZ LYS 1 -0.175 15.782 6.049 29 HZ3 LYS 1 2HZ LYS 1 -0.056 17.376 6.137 30 H VAL 2 H VAL 2 -0.169 12.948 6.415 31 HA VAL 2 HA VAL 2 -0.219 10.382 7.432 32 HB VAL 2 HB VAL 2 -2.502 12.310 6.868 33 HG11 VAL 2 1HG1 VAL 2 -2.929 9.697 8.459 34 HG12 VAL 2 2HG1 VAL 2 -4.037 11.089 8.391 35 HG13 VAL 2 3HG1 VAL 2 -3.719 10.148 6.936 36 HG21 VAL 2 3HG2 VAL 2 -2.413 12.658 9.343 37 HG22 VAL 2 1HG2 VAL 2 -1.216 11.354 9.530 38 HG23 VAL 2 2HG2 VAL 2 -0.785 12.849 8.690 39 H ASP 3 H ASP 3 0.138 8.630 6.415 40 HA ASP 3 HA ASP 3 -1.475 7.686 3.989 41 HB2 ASP 3 1HB ASP 3 1.027 8.217 3.901 42 HB3 ASP 3 2HB ASP 3 1.326 6.988 5.108 43 H ILE 4 H ILE 4 -3.011 6.173 4.567 44 HA ILE 4 HA ILE 4 -2.344 4.171 6.800 45 HB ILE 4 HB ILE 4 -4.649 3.292 6.682 46 HG12 ILE 4 1HG1 ILE 4 -5.557 5.980 5.502 47 HG13 ILE 4 2HG1 ILE 4 -5.399 4.525 4.539 48 HG21 ILE 4 1HG2 ILE 4 -3.839 4.578 8.613 49 HG22 ILE 4 2HG2 ILE 4 -4.287 6.122 7.832 50 HG23 ILE 4 3HG2 ILE 4 -5.536 4.963 8.341 51 HD11 ILE 4 3HD1 ILE 4 -7.771 4.731 5.274 52 HD12 ILE 4 1HD1 ILE 4 -7.054 3.303 6.047 53 HD13 ILE 4 2HD1 ILE 4 -7.298 4.803 6.972 54 H THR 5 H THR 5 -0.827 3.101 5.682 55 HA THR 5 HA THR 5 -1.550 1.630 3.138 56 HB THR 5 HB THR 5 1.060 1.920 4.685 57 HG1 THR 5 HG1 THR 5 0.533 3.629 3.170 58 HG21 THR 5 3HG2 THR 5 2.132 0.609 2.820 59 HG22 THR 5 1HG2 THR 5 1.078 -0.440 3.798 60 HG23 THR 5 2HG2 THR 5 0.533 0.146 2.200 61 H ILE 6 H ILE 6 -2.943 0.103 3.426 62 HA ILE 6 HA ILE 6 -2.930 -1.680 5.919 63 HB ILE 6 HB ILE 6 -5.106 -1.401 3.790 64 HG12 ILE 6 1HG1 ILE 6 -5.079 0.739 4.844 65 HG13 ILE 6 2HG1 ILE 6 -6.470 -0.143 5.427 66 HG21 ILE 6 1HG2 ILE 6 -6.620 -2.552 5.418 67 HG22 ILE 6 2HG2 ILE 6 -5.262 -3.589 4.968 68 HG23 ILE 6 3HG2 ILE 6 -5.265 -2.780 6.551 69 HD11 ILE 6 3HD1 ILE 6 -5.476 1.109 7.295 70 HD12 ILE 6 1HD1 ILE 6 -5.212 -0.617 7.625 71 HD13 ILE 6 2HD1 ILE 6 -3.874 0.394 7.003 72 H LYS 7 H LYS 7 -1.552 -3.348 5.618 73 HA LYS 7 HA LYS 7 -1.536 -4.890 2.975 74 HB2 LYS 7 1HB LYS 7 0.470 -4.525 5.242 75 HB3 LYS 7 2HB LYS 7 0.487 -6.055 4.384 76 HG2 LYS 7 1HG LYS 7 0.735 -4.986 2.238 77 HG3 LYS 7 2HG LYS 7 0.521 -3.363 2.911 78 HD2 LYS 7 1HD LYS 7 2.707 -3.545 4.130 79 HD3 LYS 7 2HD LYS 7 2.925 -5.207 3.562 80 HE2 LYS 7 1HE LYS 7 2.844 -4.421 1.141 81 HE3 LYS 7 2HE LYS 7 2.542 -2.773 1.654 82 HZ1 LYS 7 3HZ LYS 7 5.077 -4.284 2.232 83 HZ2 LYS 7 1HZ LYS 7 4.853 -3.112 1.087 84 HZ3 LYS 7 2HZ LYS 7 4.784 -2.720 2.687 85 H ILE 8 H ILE 8 -3.269 -6.104 2.919 86 HA ILE 8 HA ILE 8 -4.012 -8.000 5.204 87 HB ILE 8 HB ILE 8 -5.303 -7.566 2.459 88 HG12 ILE 8 1HG1 ILE 8 -6.655 -7.088 5.179 89 HG13 ILE 8 2HG1 ILE 8 -5.707 -5.830 4.407 90 HG21 ILE 8 1HG2 ILE 8 -6.171 -9.500 4.706 91 HG22 ILE 8 2HG2 ILE 8 -7.134 -9.158 3.248 92 HG23 ILE 8 3HG2 ILE 8 -5.572 -9.968 3.102 93 HD11 ILE 8 3HD1 ILE 8 -8.093 -5.509 3.831 94 HD12 ILE 8 1HD1 ILE 8 -7.172 -5.883 2.356 95 HD13 ILE 8 2HD1 ILE 8 -8.193 -7.130 3.111 96 H GLN 9 H GLN 9 -2.243 -9.376 5.353 97 HA GLN 9 HA GLN 9 -1.403 -10.964 2.889 98 HB2 GLN 9 1HB GLN 9 0.301 -9.950 4.474 99 HB3 GLN 9 2HB GLN 9 -0.162 -11.121 5.679 100 HG2 GLN 9 1HG GLN 9 0.797 -11.808 2.830 101 HG3 GLN 9 2HG GLN 9 1.894 -11.628 4.180 102 HE21 GLN 9 1HE2 GLN 9 1.937 -13.768 2.675 103 HE22 GLN 9 2HE2 GLN 9 1.469 -15.213 3.735 104 H ARG 10 H ARG 10 -3.097 -12.139 2.462 105 HA ARG 10 HA ARG 10 -4.335 -13.988 4.586 106 HE ARG 10 HE ARG 10 -5.083 -14.804 0.655 107 HB2 ARG 10 1HB ARG 10 -6.444 -13.928 3.397 108 HB3 ARG 10 2HB ARG 10 -5.929 -12.342 3.871 109 HG2 ARG 10 1HG ARG 10 -6.512 -11.641 1.821 110 HG3 ARG 10 2HG ARG 10 -5.026 -12.300 1.209 111 HD2 ARG 10 1HD ARG 10 -7.756 -13.770 1.303 112 HD3 ARG 10 2HD ARG 10 -7.138 -12.849 -0.084 113 HH11 ARG 10 2HH1 ARG 10 -8.192 -14.744 -0.886 114 HH12 ARG 10 1HH1 ARG 10 -7.882 -16.335 -1.747 115 HH21 ARG 10 2HH2 ARG 10 -4.766 -16.658 -0.315 116 HH22 ARG 10 1HH2 ARG 10 -6.052 -17.352 -1.380 117 H ASP 11 H ASP 11 -3.898 -16.071 4.300 118 HA ASP 11 HA ASP 11 -2.880 -18.035 3.289 119 HB2 ASP 11 1HB ASP 11 -5.425 -17.920 3.429 120 HB3 ASP 11 2HB ASP 11 -5.475 -17.447 1.756 121 H GLY 12 H GLY 12 -0.962 -17.006 2.405 122 HA2 GLY 12 1HA GLY 12 0.706 -16.826 0.658 123 HA3 GLY 12 2HA GLY 12 -0.313 -17.815 -0.354 124 H GLN 13 H GLN 13 -1.524 -14.696 0.764 125 HA GLN 13 HA GLN 13 -0.798 -13.375 -1.903 126 HB2 GLN 13 1HB GLN 13 -3.009 -14.677 -1.951 127 HB3 GLN 13 2HB GLN 13 -3.646 -13.568 -0.748 128 HG2 GLN 13 1HG GLN 13 -3.363 -11.637 -2.345 129 HG3 GLN 13 2HG GLN 13 -2.603 -12.686 -3.525 130 HE21 GLN 13 1HE2 GLN 13 -3.996 -13.566 -5.009 131 HE22 GLN 13 2HE2 GLN 13 -5.827 -13.605 -4.790 132 H GLU 14 H GLU 14 0.543 -11.837 -0.894 133 HA GLU 14 HA GLU 14 -0.283 -9.937 1.085 134 HB2 GLU 14 1HB GLU 14 1.841 -9.778 -1.145 135 HB3 GLU 14 2HB GLU 14 1.683 -8.590 0.120 136 HG2 GLU 14 1HG GLU 14 3.515 -10.068 0.678 137 HG3 GLU 14 2HG GLU 14 2.266 -10.255 1.886 138 H ILE 15 H ILE 15 -2.218 -8.844 0.737 139 HA ILE 15 HA ILE 15 -2.596 -7.231 -1.842 140 HB ILE 15 HB ILE 15 -4.647 -7.723 0.363 141 HG12 ILE 15 1HG1 ILE 15 -4.533 -9.227 -2.319 142 HG13 ILE 15 2HG1 ILE 15 -3.926 -9.895 -0.816 143 HG21 ILE 15 1HG2 ILE 15 -5.077 -5.686 -1.133 144 HG22 ILE 15 2HG2 ILE 15 -5.061 -6.749 -2.556 145 HG23 ILE 15 3HG2 ILE 15 -6.324 -6.922 -1.315 146 HD11 ILE 15 3HD1 ILE 15 -6.162 -10.783 -1.155 147 HD12 ILE 15 1HD1 ILE 15 -6.216 -9.697 0.254 148 HD13 ILE 15 2HD1 ILE 15 -6.873 -9.165 -1.318 149 H GLU 16 H GLU 16 -1.306 -5.419 -1.549 150 HA GLU 16 HA GLU 16 -1.602 -3.795 0.977 151 HB2 GLU 16 1HB GLU 16 0.363 -2.740 0.582 152 HB3 GLU 16 2HB GLU 16 0.606 -4.443 0.213 153 HG2 GLU 16 1HG GLU 16 0.622 -3.854 -2.283 154 HG3 GLU 16 2HG GLU 16 0.532 -2.146 -1.833 155 H ILE 17 H ILE 17 -2.985 -2.249 1.174 156 HA ILE 17 HA ILE 17 -3.807 -0.558 -1.266 157 HB ILE 17 HB ILE 17 -5.427 -0.819 1.318 158 HG12 ILE 17 1HG1 ILE 17 -7.131 -2.003 -0.425 159 HG13 ILE 17 2HG1 ILE 17 -5.664 -2.454 -1.269 160 HG21 ILE 17 1HG2 ILE 17 -7.245 0.268 -0.098 161 HG22 ILE 17 2HG2 ILE 17 -5.834 1.302 0.113 162 HG23 ILE 17 3HG2 ILE 17 -6.085 0.447 -1.428 163 HD11 ILE 17 3HD1 ILE 17 -6.313 -3.109 1.708 164 HD12 ILE 17 1HD1 ILE 17 -6.506 -4.228 0.341 165 HD13 ILE 17 2HD1 ILE 17 -4.886 -3.700 0.827 166 H ASP 18 H ASP 18 -2.087 0.890 -1.203 167 HA ASP 18 HA ASP 18 -1.652 2.627 1.210 168 HB2 ASP 18 1HB ASP 18 0.197 3.573 -0.018 169 HB3 ASP 18 2HB ASP 18 0.297 1.834 0.041 170 H ILE 19 H ILE 19 -3.184 4.110 1.596 171 HA ILE 19 HA ILE 19 -3.884 6.037 -0.666 172 HB ILE 19 HB ILE 19 -6.155 6.399 -0.015 173 HG12 ILE 19 1HG1 ILE 19 -7.282 4.317 1.317 174 HG13 ILE 19 2HG1 ILE 19 -5.740 4.273 2.141 175 HG21 ILE 19 1HG2 ILE 19 -5.633 4.850 -1.867 176 HG22 ILE 19 2HG2 ILE 19 -5.644 3.472 -0.754 177 HG23 ILE 19 3HG2 ILE 19 -7.141 4.388 -1.053 178 HD11 ILE 19 3HD1 ILE 19 -6.099 6.703 2.872 179 HD12 ILE 19 1HD1 ILE 19 -7.596 6.770 1.906 180 HD13 ILE 19 2HD1 ILE 19 -7.489 5.700 3.313 181 H ARG 20 H ARG 20 -3.675 8.063 -0.317 182 HA ARG 20 HA ARG 20 -2.402 8.887 2.339 183 HE ARG 20 HE ARG 20 1.686 10.514 -0.664 184 HB2 ARG 20 1HB ARG 20 -1.785 9.676 -0.573 185 HB3 ARG 20 2HB ARG 20 -1.089 10.492 0.820 186 HG2 ARG 20 1HG ARG 20 -0.086 8.413 1.684 187 HG3 ARG 20 2HG ARG 20 -0.846 7.435 0.466 188 HD2 ARG 20 1HD ARG 20 1.429 7.597 -0.184 189 HD3 ARG 20 2HD ARG 20 0.514 8.528 -1.342 190 HH11 ARG 20 2HH1 ARG 20 2.183 8.081 1.892 191 HH12 ARG 20 1HH1 ARG 20 3.294 9.259 2.755 192 HH21 ARG 20 2HH2 ARG 20 3.002 11.693 0.387 193 HH22 ARG 20 1HH2 ARG 20 3.671 11.151 2.008 194 H VAL 21 H VAL 21 -3.343 10.353 3.514 195 HA VAL 21 HA VAL 21 -5.606 12.078 2.376 196 HB VAL 21 HB VAL 21 -7.140 11.127 4.166 197 HG11 VAL 21 1HG1 VAL 21 -7.456 10.631 1.742 198 HG12 VAL 21 2HG1 VAL 21 -6.419 9.195 1.887 199 HG13 VAL 21 3HG1 VAL 21 -7.965 9.277 2.768 200 HG21 VAL 21 3HG2 VAL 21 -5.234 8.704 4.248 201 HG22 VAL 21 1HG2 VAL 21 -5.549 9.829 5.584 202 HG23 VAL 21 2HG2 VAL 21 -6.859 8.803 4.973 203 H SER 22 H SER 22 -4.564 13.922 2.910 204 HA SER 22 HA SER 22 -3.812 14.538 5.786 205 HG SER 22 HG SER 22 -3.789 17.417 5.105 206 HB2 SER 22 1HB SER 22 -2.382 15.254 3.887 207 HB3 SER 22 2HB SER 22 -3.704 16.177 3.165 208 H THR 23 H THR 23 -6.156 14.008 6.293 209 HA THR 23 HA THR 23 -8.012 16.385 6.441 210 HB THR 23 HB THR 23 -8.200 15.796 4.085 211 HG1 THR 23 HG1 THR 23 -10.453 15.228 4.008 212 HG21 THR 23 3HG2 THR 23 -7.440 13.468 3.967 213 HG22 THR 23 1HG2 THR 23 -8.794 12.892 4.952 214 HG23 THR 23 2HG2 THR 23 -9.073 13.534 3.303 215 H GLY 24 H GLY 24 -10.148 15.799 7.182 216 HA2 GLY 24 1HA GLY 24 -10.247 13.468 9.179 217 HA3 GLY 24 2HA GLY 24 -10.818 15.048 9.683 218 H LYS 25 H LYS 25 -12.311 12.674 9.604 219 HA LYS 25 HA LYS 25 -14.373 11.774 9.011 220 HB2 LYS 25 1HB LYS 25 -15.066 14.274 7.427 221 HB3 LYS 25 2HB LYS 25 -16.130 12.901 7.706 222 HG2 LYS 25 1HG LYS 25 -15.987 13.206 10.195 223 HG3 LYS 25 2HG LYS 25 -14.902 14.580 9.972 224 HD2 LYS 25 1HD LYS 25 -16.761 15.771 8.617 225 HD3 LYS 25 2HD LYS 25 -17.798 14.391 8.911 226 HE2 LYS 25 1HE LYS 25 -18.491 16.013 10.524 227 HE3 LYS 25 2HE LYS 25 -17.626 14.785 11.442 228 HZ1 LYS 25 3HZ LYS 25 -15.612 16.262 11.392 229 HZ2 LYS 25 1HZ LYS 25 -16.389 17.385 10.491 230 HZ3 LYS 25 2HZ LYS 25 -16.865 17.105 12.044 231 H GLU 26 H GLU 26 -12.801 13.057 6.090 232 HA GLU 26 HA GLU 26 -13.375 10.766 4.313 233 HB2 GLU 26 1HB GLU 26 -11.003 12.701 4.458 234 HB3 GLU 26 2HB GLU 26 -11.211 11.544 3.158 235 HG2 GLU 26 1HG GLU 26 -13.317 12.694 2.403 236 HG3 GLU 26 2HG GLU 26 -13.218 13.824 3.757 237 H LEU 27 H LEU 27 -10.523 11.317 6.465 238 HA LEU 27 HA LEU 27 -9.317 8.660 6.221 239 HG LEU 27 HG LEU 27 -8.539 8.600 9.495 240 HB2 LEU 27 1HB LEU 27 -8.103 10.565 7.152 241 HB3 LEU 27 2HB LEU 27 -9.264 10.768 8.445 242 HD11 LEU 27 1HD1 LEU 27 -6.447 7.471 8.780 243 HD12 LEU 27 2HD1 LEU 27 -7.622 7.396 7.458 244 HD13 LEU 27 3HD1 LEU 27 -6.272 8.559 7.390 245 HD21 LEU 27 3HD2 LEU 27 -6.331 9.490 10.317 246 HD22 LEU 27 1HD2 LEU 27 -6.304 10.670 8.983 247 HD23 LEU 27 2HD2 LEU 27 -7.560 10.767 10.236 248 H GLU 28 H GLU 28 -11.708 9.748 8.631 249 HA GLU 28 HA GLU 28 -12.280 7.243 10.024 250 HB2 GLU 28 1HB GLU 28 -12.995 9.497 10.760 251 HB3 GLU 28 2HB GLU 28 -13.929 9.711 9.288 252 HG2 GLU 28 1HG GLU 28 -15.540 7.871 10.066 253 HG3 GLU 28 2HG GLU 28 -14.675 7.840 11.607 254 H ARG 29 H ARG 29 -14.040 8.569 7.158 255 HA ARG 29 HA ARG 29 -15.610 6.147 6.628 256 HE ARG 29 HE ARG 29 -18.018 8.127 3.516 257 HB2 ARG 29 1HB ARG 29 -14.786 8.498 4.822 258 HB3 ARG 29 2HB ARG 29 -15.854 7.223 4.273 259 HG2 ARG 29 1HG ARG 29 -17.570 7.769 6.011 260 HG3 ARG 29 2HG ARG 29 -16.487 8.915 6.770 261 HD2 ARG 29 1HD ARG 29 -18.032 10.227 5.500 262 HD3 ARG 29 2HD ARG 29 -16.455 10.348 4.701 263 HH11 ARG 29 2HH1 ARG 29 -17.862 11.595 3.485 264 HH12 ARG 29 1HH1 ARG 29 -18.578 11.701 1.804 265 HH21 ARG 29 2HH2 ARG 29 -18.842 8.269 1.612 266 HH22 ARG 29 1HH2 ARG 29 -19.106 9.883 0.812 267 H ALA 30 H ALA 30 -12.485 7.118 5.075 268 HA ALA 30 HA ALA 30 -12.189 4.664 3.477 269 HB1 ALA 30 3HB ALA 30 -10.900 6.775 3.055 270 HB2 ALA 30 1HB ALA 30 -10.022 6.565 4.590 271 HB3 ALA 30 2HB ALA 30 -9.817 5.386 3.269 272 H LEU 31 H LEU 31 -10.875 5.386 6.773 273 HA LEU 31 HA LEU 31 -9.821 2.689 7.269 274 HG LEU 31 HG LEU 31 -10.089 2.443 10.256 275 HB2 LEU 31 1HB LEU 31 -9.283 4.869 8.545 276 HB3 LEU 31 2HB LEU 31 -10.854 4.746 9.298 277 HD11 LEU 31 1HD1 LEU 31 -8.148 1.944 8.751 278 HD12 LEU 31 2HD1 LEU 31 -7.315 3.430 9.277 279 HD13 LEU 31 3HD1 LEU 31 -7.573 2.100 10.418 280 HD21 LEU 31 3HD2 LEU 31 -8.779 3.517 12.100 281 HD22 LEU 31 1HD2 LEU 31 -8.501 4.963 11.099 282 HD23 LEU 31 2HD2 LEU 31 -10.145 4.544 11.633 283 H GLN 32 H GLN 32 -13.147 4.002 7.984 284 HA GLN 32 HA GLN 32 -14.205 1.513 9.072 285 HB2 GLN 32 1HB GLN 32 -15.155 3.868 9.258 286 HB3 GLN 32 2HB GLN 32 -15.686 3.759 7.584 287 HG2 GLN 32 1HG GLN 32 -17.108 1.729 8.238 288 HG3 GLN 32 2HG GLN 32 -16.607 1.899 9.906 289 HE21 GLN 32 1HE2 GLN 32 -17.159 4.124 10.886 290 HE22 GLN 32 2HE2 GLN 32 -18.744 4.853 10.301 291 H GLU 33 H GLU 33 -14.241 2.569 5.580 292 HA GLU 33 HA GLU 33 -15.414 -0.041 4.735 293 HB2 GLU 33 1HB GLU 33 -15.546 2.138 3.371 294 HB3 GLU 33 2HB GLU 33 -13.889 1.837 2.881 295 HG2 GLU 33 1HG GLU 33 -15.432 0.963 1.148 296 HG3 GLU 33 2HG GLU 33 -14.630 -0.417 1.879 297 H LEU 34 H LEU 34 -12.022 1.048 5.006 298 HA LEU 34 HA LEU 34 -10.917 -1.562 4.155 299 HG LEU 34 HG LEU 34 -10.219 0.985 3.168 300 HB2 LEU 34 1HB LEU 34 -9.689 0.735 5.755 301 HB3 LEU 34 2HB LEU 34 -8.777 -0.690 5.318 302 HD11 LEU 34 1HD1 LEU 34 -8.137 2.210 2.724 303 HD12 LEU 34 2HD1 LEU 34 -8.678 2.507 4.383 304 HD13 LEU 34 3HD1 LEU 34 -7.308 1.416 4.074 305 HD21 LEU 34 3HD2 LEU 34 -9.461 -1.337 2.466 306 HD22 LEU 34 1HD2 LEU 34 -8.628 -0.049 1.597 307 HD23 LEU 34 2HD2 LEU 34 -7.788 -0.915 2.909 308 H GLU 35 H GLU 35 -11.723 -0.433 7.481 309 HA GLU 35 HA GLU 35 -11.422 -2.863 9.018 310 HB2 GLU 35 1HB GLU 35 -12.095 -0.738 9.886 311 HB3 GLU 35 2HB GLU 35 -13.532 -0.681 8.910 312 HG2 GLU 35 1HG GLU 35 -14.311 -2.844 10.299 313 HG3 GLU 35 2HG GLU 35 -13.065 -2.336 11.438 314 H LYS 36 H LYS 36 -14.300 -1.954 7.059 315 HA LYS 36 HA LYS 36 -15.692 -4.523 7.201 316 HB2 LYS 36 1HB LYS 36 -15.863 -2.269 5.119 317 HB3 LYS 36 2HB LYS 36 -16.931 -3.642 5.099 318 HG2 LYS 36 1HG LYS 36 -18.046 -3.037 7.172 319 HG3 LYS 36 2HG LYS 36 -16.748 -1.971 7.669 320 HD2 LYS 36 1HD LYS 36 -18.540 -0.536 7.009 321 HD3 LYS 36 2HD LYS 36 -17.250 -0.359 5.845 322 HE2 LYS 36 1HE LYS 36 -18.565 -2.075 4.318 323 HE3 LYS 36 2HE LYS 36 -19.910 -1.906 5.457 324 HZ1 LYS 36 3HZ LYS 36 -18.676 0.132 3.608 325 HZ2 LYS 36 1HZ LYS 36 -20.278 -0.167 3.837 326 HZ3 LYS 36 2HZ LYS 36 -19.433 0.700 4.974 327 H ALA 37 H ALA 37 -13.651 -3.353 4.434 328 HA ALA 37 HA ALA 37 -13.516 -5.893 3.001 329 HB1 ALA 37 3HB ALA 37 -11.427 -3.628 3.164 330 HB2 ALA 37 1HB ALA 37 -11.499 -4.891 1.915 331 HB3 ALA 37 2HB ALA 37 -12.807 -3.697 2.043 332 H LEU 38 H LEU 38 -11.320 -4.789 5.643 333 HA LEU 38 HA LEU 38 -9.534 -7.081 5.739 334 HG LEU 38 HG LEU 38 -7.836 -6.527 7.820 335 HB2 LEU 38 1HB LEU 38 -9.293 -4.840 6.775 336 HB3 LEU 38 2HB LEU 38 -10.586 -5.163 7.915 337 HD11 LEU 38 1HD1 LEU 38 -7.471 -5.034 9.920 338 HD12 LEU 38 2HD1 LEU 38 -7.692 -4.109 8.423 339 HD13 LEU 38 3HD1 LEU 38 -9.027 -4.256 9.584 340 HD21 LEU 38 3HD2 LEU 38 -8.399 -7.257 10.213 341 HD22 LEU 38 1HD2 LEU 38 -10.093 -6.777 9.922 342 HD23 LEU 38 2HD2 LEU 38 -9.345 -8.085 8.969 343 H ALA 39 H ALA 39 -12.555 -6.660 7.670 344 HA ALA 39 HA ALA 39 -12.579 -9.456 8.695 345 HB1 ALA 39 3HB ALA 39 -14.901 -8.857 9.462 346 HB2 ALA 39 1HB ALA 39 -13.725 -7.603 9.887 347 HB3 ALA 39 2HB ALA 39 -14.835 -7.346 8.520 348 H ARG 40 H ARG 40 -14.404 -7.943 6.008 349 HA ARG 40 HA ARG 40 -15.789 -10.361 5.080 350 HE ARG 40 HE ARG 40 -18.391 -8.890 0.837 351 HB2 ARG 40 1HB ARG 40 -16.352 -7.915 4.675 352 HB3 ARG 40 2HB ARG 40 -14.954 -7.787 3.617 353 HG2 ARG 40 1HG ARG 40 -16.085 -9.482 2.044 354 HG3 ARG 40 2HG ARG 40 -17.481 -9.500 3.134 355 HD2 ARG 40 1HD ARG 40 -17.692 -6.949 2.858 356 HD3 ARG 40 2HD ARG 40 -16.317 -6.985 1.733 357 HH11 ARG 40 2HH1 ARG 40 -17.738 -5.463 0.910 358 HH12 ARG 40 1HH1 ARG 40 -18.854 -5.145 -0.500 359 HH21 ARG 40 2HH2 ARG 40 -19.667 -8.483 -0.751 360 HH22 ARG 40 1HH2 ARG 40 -19.889 -6.789 -1.380 361 H ALA 41 H ALA 41 -12.556 -9.163 4.177 362 HA ALA 41 HA ALA 41 -11.966 -11.208 2.139 363 HB1 ALA 41 3HB ALA 41 -10.085 -9.601 4.004 364 HB2 ALA 41 1HB ALA 41 -9.570 -10.503 2.560 365 HB3 ALA 41 2HB ALA 41 -10.646 -9.104 2.390 366 H GLY 42 H GLY 42 -11.808 -11.489 5.670 367 HA2 GLY 42 1HA GLY 42 -11.411 -13.466 7.032 368 HA3 GLY 42 2HA GLY 42 -11.435 -14.416 5.563 369 H ALA 43 H ALA 43 -9.305 -12.182 7.308 370 HA ALA 43 HA ALA 43 -6.898 -13.417 5.970 371 HB1 ALA 43 3HB ALA 43 -7.289 -10.752 7.472 372 HB2 ALA 43 1HB ALA 43 -5.889 -11.212 6.464 373 HB3 ALA 43 2HB ALA 43 -7.493 -11.003 5.721 374 H ARG 44 H ARG 44 -5.119 -14.164 6.917 375 HA ARG 44 HA ARG 44 -5.158 -14.829 9.880 376 HE ARG 44 HE ARG 44 -5.689 -19.789 7.871 377 HB2 ARG 44 1HB ARG 44 -3.112 -15.712 7.764 378 HB3 ARG 44 2HB ARG 44 -3.157 -16.216 9.444 379 HG2 ARG 44 1HG ARG 44 -5.530 -17.212 9.000 380 HG3 ARG 44 2HG ARG 44 -5.271 -16.856 7.299 381 HD2 ARG 44 1HD ARG 44 -3.002 -18.276 7.585 382 HD3 ARG 44 2HD ARG 44 -3.693 -18.808 9.101 383 HH11 ARG 44 2HH1 ARG 44 -2.959 -18.983 5.788 384 HH12 ARG 44 1HH1 ARG 44 -3.828 -19.864 4.392 385 HH21 ARG 44 2HH2 ARG 44 -6.465 -20.819 6.170 386 HH22 ARG 44 1HH2 ARG 44 -5.483 -20.767 4.607 387 H ASN 45 H ASN 45 -2.983 -12.953 7.665 388 HA ASN 45 HA ASN 45 -1.624 -11.768 10.162 389 HB2 ASN 45 1HB ASN 45 -0.273 -12.300 7.444 390 HB3 ASN 45 2HB ASN 45 0.496 -11.709 8.889 391 HD21 ASN 45 1HD2 ASN 45 -0.124 -14.428 7.054 392 HD22 ASN 45 2HD2 ASN 45 0.487 -15.627 8.306 393 H VAL 46 H VAL 46 -2.673 -9.783 10.263 394 HA VAL 46 HA VAL 46 -2.934 -8.156 7.658 395 HB VAL 46 HB VAL 46 -4.493 -7.695 10.227 396 HG11 VAL 46 1HG1 VAL 46 -5.027 -6.616 7.374 397 HG12 VAL 46 2HG1 VAL 46 -5.911 -6.241 8.873 398 HG13 VAL 46 3HG1 VAL 46 -4.264 -5.673 8.675 399 HG21 VAL 46 3HG2 VAL 46 -6.488 -8.685 9.096 400 HG22 VAL 46 1HG2 VAL 46 -5.490 -9.121 7.682 401 HG23 VAL 46 2HG2 VAL 46 -5.221 -9.904 9.257 402 H GLN 47 H GLN 47 -1.442 -6.676 7.396 403 HA GLN 47 HA GLN 47 0.132 -5.582 9.794 404 HB2 GLN 47 1HB GLN 47 1.210 -7.110 8.120 405 HB3 GLN 47 2HB GLN 47 0.928 -5.930 6.857 406 HG2 GLN 47 1HG GLN 47 2.380 -4.262 8.122 407 HG3 GLN 47 2HG GLN 47 2.565 -5.438 9.420 408 HE21 GLN 47 1HE2 GLN 47 4.037 -7.247 9.061 409 HE22 GLN 47 2HE2 GLN 47 5.105 -7.218 7.559 410 H ILE 48 H ILE 48 -1.031 -3.777 10.404 411 HA ILE 48 HA ILE 48 -1.865 -1.698 8.352 412 HB ILE 48 HB ILE 48 -2.318 -1.732 11.396 413 HG12 ILE 48 1HG1 ILE 48 -4.860 -1.982 10.533 414 HG13 ILE 48 2HG1 ILE 48 -4.133 -2.695 9.108 415 HG21 ILE 48 1HG2 ILE 48 -3.982 0.104 10.981 416 HG22 ILE 48 2HG2 ILE 48 -2.343 0.589 10.548 417 HG23 ILE 48 3HG2 ILE 48 -3.496 0.167 9.272 418 HD11 ILE 48 3HD1 ILE 48 -3.686 -3.670 12.033 419 HD12 ILE 48 1HD1 ILE 48 -4.843 -4.385 10.882 420 HD13 ILE 48 2HD1 ILE 48 -3.104 -4.509 10.584 421 H THR 49 H THR 49 -0.269 -0.307 7.727 422 HA THR 49 HA THR 49 1.695 0.754 9.846 423 HB THR 49 HB THR 49 2.368 0.445 6.879 424 HG1 THR 49 HG1 THR 49 2.153 -1.467 8.240 425 HG21 THR 49 3HG2 THR 49 4.711 0.944 7.650 426 HG22 THR 49 1HG2 THR 49 3.652 2.309 8.061 427 HG23 THR 49 2HG2 THR 49 4.155 1.155 9.320 428 H ILE 50 H ILE 50 0.929 2.652 10.409 429 HA ILE 50 HA ILE 50 -0.086 4.526 8.250 430 HB ILE 50 HB ILE 50 -1.703 4.145 9.978 431 HG12 ILE 50 1HG1 ILE 50 -2.013 6.029 8.571 432 HG13 ILE 50 2HG1 ILE 50 -2.532 6.419 10.192 433 HG21 ILE 50 1HG2 ILE 50 -0.388 4.039 12.033 434 HG22 ILE 50 2HG2 ILE 50 0.047 5.771 11.905 435 HG23 ILE 50 3HG2 ILE 50 -1.642 5.283 12.173 436 HD11 ILE 50 3HD1 ILE 50 -1.441 8.413 9.447 437 HD12 ILE 50 1HD1 ILE 50 -0.132 7.648 10.377 438 HD13 ILE 50 2HD1 ILE 50 -0.165 7.536 8.603 439 H SER 51 H SER 51 1.356 5.784 7.433 440 HA SER 51 HA SER 51 3.910 6.547 8.939 441 HG SER 51 HG SER 51 5.724 6.821 7.367 442 HB2 SER 51 1HB SER 51 3.968 5.737 6.495 443 HB3 SER 51 2HB SER 51 3.249 7.283 6.047 444 H ALA 52 H ALA 52 3.221 7.981 10.494 445 HA ALA 52 HA ALA 52 1.389 10.260 9.824 446 HB1 ALA 52 3HB ALA 52 1.141 8.844 11.911 447 HB2 ALA 52 1HB ALA 52 2.685 9.470 12.518 448 HB3 ALA 52 2HB ALA 52 1.319 10.568 12.282 449 H GLU 53 H GLU 53 1.759 12.444 10.344 450 HA GLU 53 HA GLU 53 4.440 13.493 9.542 451 HB2 GLU 53 1HB GLU 53 1.911 14.991 10.434 452 HB3 GLU 53 2HB GLU 53 3.293 15.736 9.695 453 HG2 GLU 53 1HG GLU 53 2.774 15.007 7.529 454 HG3 GLU 53 2HG GLU 53 2.019 13.517 8.054 455 H ASN 54 H ASN 54 2.586 13.527 12.552 456 HA ASN 54 HA ASN 54 5.004 14.731 14.050 457 HB2 ASN 54 1HB ASN 54 2.005 15.368 14.537 458 HB3 ASN 54 2HB ASN 54 3.310 15.867 15.583 459 HD21 ASN 54 1HD2 ASN 54 1.877 16.474 12.443 460 HD22 ASN 54 2HD2 ASN 54 2.741 18.089 12.269 461 H ASP 55 H ASP 55 5.163 14.225 16.268 462 HA ASP 55 HA ASP 55 4.576 11.520 17.241 463 HB2 ASP 55 1HB ASP 55 5.357 12.410 19.436 464 HB3 ASP 55 2HB ASP 55 6.489 12.649 18.131 465 H GLU 56 H GLU 56 3.088 14.618 18.304 466 HA GLU 56 HA GLU 56 0.804 13.545 19.626 467 HB2 GLU 56 1HB GLU 56 1.122 16.162 18.087 468 HB3 GLU 56 2HB GLU 56 -0.413 15.772 18.808 469 HG2 GLU 56 1HG GLU 56 2.228 15.971 20.409 470 HG3 GLU 56 2HG GLU 56 1.008 17.225 20.270 471 H GLN 57 H GLN 57 1.105 13.661 16.158 472 HA GLN 57 HA GLN 57 -1.680 12.590 15.591 473 HB2 GLN 57 1HB GLN 57 0.834 12.644 13.820 474 HB3 GLN 57 2HB GLN 57 -0.671 11.892 13.349 475 HG2 GLN 57 1HG GLN 57 -1.880 14.085 13.494 476 HG3 GLN 57 2HG GLN 57 -0.393 14.888 13.988 477 HE21 GLN 57 1HE2 GLN 57 -1.131 16.107 11.977 478 HE22 GLN 57 2HE2 GLN 57 -0.360 15.538 10.399 479 H ALA 58 H ALA 58 1.633 11.107 15.651 480 HA ALA 58 HA ALA 58 0.861 8.356 15.294 481 HB1 ALA 58 3HB ALA 58 3.194 9.231 15.116 482 HB2 ALA 58 1HB ALA 58 3.234 9.559 16.867 483 HB3 ALA 58 2HB ALA 58 3.143 7.889 16.275 484 H LYS 59 H LYS 59 1.181 10.005 18.468 485 HA LYS 59 HA LYS 59 0.363 7.686 20.078 486 HB2 LYS 59 1HB LYS 59 -0.105 9.199 21.939 487 HB3 LYS 59 2HB LYS 59 1.471 9.405 21.236 488 HG2 LYS 59 1HG LYS 59 1.171 11.586 20.750 489 HG3 LYS 59 2HG LYS 59 -0.332 11.334 19.942 490 HD2 LYS 59 1HD LYS 59 -0.556 11.186 22.961 491 HD3 LYS 59 2HD LYS 59 0.056 12.709 22.386 492 HE2 LYS 59 1HE LYS 59 -2.614 11.435 21.483 493 HE3 LYS 59 2HE LYS 59 -2.444 12.693 22.712 494 HZ1 LYS 59 3HZ LYS 59 -1.610 14.287 21.030 495 HZ2 LYS 59 1HZ LYS 59 -1.521 13.121 19.858 496 HZ3 LYS 59 2HZ LYS 59 -2.986 13.566 20.309 497 H GLU 60 H GLU 60 -1.827 10.225 18.777 498 HA GLU 60 HA GLU 60 -4.229 8.711 19.803 499 HB2 GLU 60 1HB GLU 60 -5.646 10.413 18.895 500 HB3 GLU 60 2HB GLU 60 -4.401 11.046 19.941 501 HG2 GLU 60 1HG GLU 60 -3.126 11.708 17.681 502 HG3 GLU 60 2HG GLU 60 -4.657 11.393 16.891 503 H LEU 61 H LEU 61 -2.629 8.982 16.642 504 HA LEU 61 HA LEU 61 -4.504 7.171 15.239 505 HG LEU 61 HG LEU 61 -3.189 9.703 14.258 506 HB2 LEU 61 1HB LEU 61 -1.542 7.747 14.746 507 HB3 LEU 61 2HB LEU 61 -2.506 6.749 13.685 508 HD11 LEU 61 1HD1 LEU 61 -2.141 10.172 12.025 509 HD12 LEU 61 2HD1 LEU 61 -0.951 9.472 13.145 510 HD13 LEU 61 3HD1 LEU 61 -1.677 8.459 11.881 511 HD21 LEU 61 3HD2 LEU 61 -4.578 9.519 12.159 512 HD22 LEU 61 1HD2 LEU 61 -4.219 7.779 12.051 513 HD23 LEU 61 2HD2 LEU 61 -5.170 8.425 13.414 514 H LEU 62 H LEU 62 -1.578 6.340 17.174 515 HA LEU 62 HA LEU 62 -1.819 3.432 17.135 516 HG LEU 62 HG LEU 62 -1.409 3.393 20.546 517 HB2 LEU 62 1HB LEU 62 0.095 4.583 18.122 518 HB3 LEU 62 2HB LEU 62 -0.920 5.453 19.244 519 HD11 LEU 62 1HD1 LEU 62 -1.163 1.594 18.855 520 HD12 LEU 62 2HD1 LEU 62 0.570 1.971 18.639 521 HD13 LEU 62 3HD1 LEU 62 -0.035 1.316 20.182 522 HD21 LEU 62 3HD2 LEU 62 0.871 3.196 21.553 523 HD22 LEU 62 1HD2 LEU 62 1.594 3.967 20.119 524 HD23 LEU 62 2HD2 LEU 62 0.494 4.886 21.172 525 H GLU 63 H GLU 63 -3.434 5.667 19.426 526 HA GLU 63 HA GLU 63 -5.172 3.597 20.557 527 HB2 GLU 63 1HB GLU 63 -4.484 6.213 21.262 528 HB3 GLU 63 2HB GLU 63 -6.108 6.478 20.716 529 HG2 GLU 63 1HG GLU 63 -5.328 4.271 22.791 530 HG3 GLU 63 2HG GLU 63 -5.594 5.938 23.246 531 H LEU 64 H LEU 64 -5.924 5.943 17.916 532 HA LEU 64 HA LEU 64 -8.600 5.001 17.277 533 HG LEU 64 HG LEU 64 -8.516 5.227 14.163 534 HB2 LEU 64 1HB LEU 64 -7.464 7.090 16.393 535 HB3 LEU 64 2HB LEU 64 -6.433 6.070 15.416 536 HD11 LEU 64 1HD1 LEU 64 -9.907 7.533 15.698 537 HD12 LEU 64 2HD1 LEU 64 -10.602 6.635 14.326 538 HD13 LEU 64 3HD1 LEU 64 -10.284 5.798 15.852 539 HD21 LEU 64 3HD2 LEU 64 -7.927 8.260 14.050 540 HD22 LEU 64 1HD2 LEU 64 -7.036 6.975 13.194 541 HD23 LEU 64 2HD2 LEU 64 -8.725 7.302 12.778 542 H ILE 65 H ILE 65 -5.510 3.731 15.893 543 HA ILE 65 HA ILE 65 -6.859 1.538 14.387 544 HB ILE 65 HB ILE 65 -3.940 1.823 15.227 545 HG12 ILE 65 1HG1 ILE 65 -5.122 2.114 12.388 546 HG13 ILE 65 2HG1 ILE 65 -4.918 3.488 13.451 547 HG21 ILE 65 1HG2 ILE 65 -3.475 -0.035 13.487 548 HG22 ILE 65 2HG2 ILE 65 -4.382 -0.597 14.873 549 HG23 ILE 65 3HG2 ILE 65 -5.228 -0.291 13.337 550 HD11 ILE 65 3HD1 ILE 65 -2.984 3.243 11.863 551 HD12 ILE 65 1HD1 ILE 65 -2.453 3.192 13.567 552 HD13 ILE 65 2HD1 ILE 65 -2.529 1.706 12.604 553 H ALA 66 H ALA 66 -5.295 1.564 17.676 554 HA ALA 66 HA ALA 66 -5.901 -1.200 18.383 555 HB1 ALA 66 3HB ALA 66 -5.559 -0.428 20.731 556 HB2 ALA 66 1HB ALA 66 -4.322 0.250 19.652 557 HB3 ALA 66 2HB ALA 66 -5.667 1.269 20.218 558 H ARG 67 H ARG 67 -7.996 1.695 18.995 559 HA ARG 67 HA ARG 67 -10.387 0.351 19.954 560 HE ARG 67 HE ARG 67 -9.426 4.951 21.693 561 HB2 ARG 67 1HB ARG 67 -10.153 2.767 18.052 562 HB3 ARG 67 2HB ARG 67 -11.686 2.238 18.714 563 HG2 ARG 67 1HG ARG 67 -10.894 2.652 21.063 564 HG3 ARG 67 2HG ARG 67 -9.303 3.047 20.451 565 HD2 ARG 67 1HD ARG 67 -10.421 4.978 19.060 566 HD3 ARG 67 2HD ARG 67 -11.907 4.647 19.992 567 HH11 ARG 67 2HH1 ARG 67 -11.925 6.820 20.107 568 HH12 ARG 67 1HH1 ARG 67 -11.534 8.302 21.117 569 HH21 ARG 67 2HH2 ARG 67 -9.077 6.580 22.835 570 HH22 ARG 67 1HH2 ARG 67 -10.036 8.153 22.654 571 H LEU 68 H LEU 68 -9.498 0.890 16.536 572 HA LEU 68 HA LEU 68 -11.768 -0.459 15.275 573 HG LEU 68 HG LEU 68 -11.003 -1.223 12.807 574 HB2 LEU 68 1HB LEU 68 -9.931 1.207 14.324 575 HB3 LEU 68 2HB LEU 68 -8.876 -0.156 14.267 576 HD11 LEU 68 1HD1 LEU 68 -12.405 0.845 13.130 577 HD12 LEU 68 2HD1 LEU 68 -11.148 1.841 12.345 578 HD13 LEU 68 3HD1 LEU 68 -12.033 0.618 11.428 579 HD21 LEU 68 3HD2 LEU 68 -8.844 0.688 11.702 580 HD22 LEU 68 1HD2 LEU 68 -8.655 -1.058 11.982 581 HD23 LEU 68 2HD2 LEU 68 -9.780 -0.481 10.736 582 H LEU 69 H LEU 69 -8.503 -1.710 16.034 583 HA LEU 69 HA LEU 69 -8.952 -4.535 15.249 584 HG LEU 69 HG LEU 69 -6.708 -2.382 14.796 585 HB2 LEU 69 1HB LEU 69 -6.948 -3.281 17.202 586 HB3 LEU 69 2HB LEU 69 -6.848 -4.911 16.572 587 HD11 LEU 69 1HD1 LEU 69 -4.802 -2.382 16.251 588 HD12 LEU 69 2HD1 LEU 69 -4.499 -4.104 16.044 589 HD13 LEU 69 3HD1 LEU 69 -4.241 -2.988 14.676 590 HD21 LEU 69 3HD2 LEU 69 -6.400 -5.343 14.091 591 HD22 LEU 69 1HD2 LEU 69 -7.509 -4.157 13.393 592 HD23 LEU 69 2HD2 LEU 69 -5.777 -4.023 13.074 593 H GLN 70 H GLN 70 -9.223 -2.998 18.503 594 HA GLN 70 HA GLN 70 -10.167 -5.400 19.924 595 HB2 GLN 70 1HB GLN 70 -10.651 -2.398 20.424 596 HB3 GLN 70 2HB GLN 70 -11.226 -3.645 21.515 597 HG2 GLN 70 1HG GLN 70 -8.893 -4.424 21.997 598 HG3 GLN 70 2HG GLN 70 -8.238 -3.310 20.816 599 HE21 GLN 70 1HE2 GLN 70 -9.361 -3.548 24.069 600 HE22 GLN 70 2HE2 GLN 70 -8.997 -1.778 24.445 601 H LYS 71 H LYS 71 -12.071 -2.837 18.239 602 HA LYS 71 HA LYS 71 -14.716 -4.123 18.414 603 HB2 LYS 71 1HB LYS 71 -14.276 -1.730 17.769 604 HB3 LYS 71 2HB LYS 71 -13.473 -2.261 16.308 605 HG2 LYS 71 1HG LYS 71 -15.771 -3.364 15.622 606 HG3 LYS 71 2HG LYS 71 -16.485 -2.473 16.964 607 HD2 LYS 71 1HD LYS 71 -15.661 -0.291 15.946 608 HD3 LYS 71 2HD LYS 71 -14.800 -1.194 14.702 609 HE2 LYS 71 1HE LYS 71 -17.071 -2.181 13.923 610 HE3 LYS 71 2HE LYS 71 -17.889 -1.071 15.036 611 HZ1 LYS 71 3HZ LYS 71 -16.792 0.833 13.788 612 HZ2 LYS 71 1HZ LYS 71 -15.888 -0.231 12.905 613 HZ3 LYS 71 2HZ LYS 71 -17.481 -0.160 12.635 614 H LEU 72 H LEU 72 -12.256 -4.435 15.765 615 HA LEU 72 HA LEU 72 -13.697 -6.460 14.231 616 HG LEU 72 HG LEU 72 -12.372 -4.139 13.224 617 HB2 LEU 72 1HB LEU 72 -10.702 -5.821 14.470 618 HB3 LEU 72 2HB LEU 72 -11.289 -7.012 13.349 619 HD11 LEU 72 1HD1 LEU 72 -9.913 -3.946 13.044 620 HD12 LEU 72 2HD1 LEU 72 -9.843 -5.245 11.828 621 HD13 LEU 72 3HD1 LEU 72 -10.638 -3.694 11.451 622 HD21 LEU 72 3HD2 LEU 72 -12.161 -6.398 11.114 623 HD22 LEU 72 1HD2 LEU 72 -13.658 -5.867 11.920 624 HD23 LEU 72 2HD2 LEU 72 -12.808 -4.775 10.815 625 H GLY 73 H GLY 73 -11.230 -7.048 16.780 626 HA2 GLY 73 1HA GLY 73 -11.587 -8.952 18.378 627 HA3 GLY 73 2HA GLY 73 -12.409 -9.873 17.143 628 H TYR 74 H TYR 74 -9.221 -8.514 17.905 629 HA TYR 74 HA TYR 74 -7.877 -11.027 16.730 630 HD1 TYR 74 HD1 TYR 74 -5.944 -10.859 14.326 631 HD2 TYR 74 HD2 TYR 74 -9.001 -7.850 14.645 632 HE1 TYR 74 HE1 TYR 74 -6.561 -11.220 11.959 633 HE2 TYR 74 HE2 TYR 74 -9.622 -8.249 12.294 634 HH TYR 74 HH TYR 74 -9.298 -9.537 10.495 635 HB2 TYR 74 1HB TYR 74 -7.138 -8.047 16.390 636 HB3 TYR 74 2HB TYR 74 -5.949 -9.297 16.214 637 H LYS 75 H LYS 75 -6.513 -12.047 18.026 638 HA LYS 75 HA LYS 75 -5.874 -10.939 20.739 639 HB2 LYS 75 1HB LYS 75 -5.331 -13.051 21.454 640 HB3 LYS 75 2HB LYS 75 -6.657 -13.329 20.351 641 HG2 LYS 75 1HG LYS 75 -4.877 -14.007 18.551 642 HG3 LYS 75 2HG LYS 75 -3.661 -13.760 19.796 643 HD2 LYS 75 1HD LYS 75 -4.862 -15.542 21.239 644 HD3 LYS 75 2HD LYS 75 -5.844 -15.909 19.808 645 HE2 LYS 75 1HE LYS 75 -3.611 -16.238 18.475 646 HE3 LYS 75 2HE LYS 75 -2.720 -15.969 19.954 647 HZ1 LYS 75 3HZ LYS 75 -3.112 -18.386 19.628 648 HZ2 LYS 75 1HZ LYS 75 -3.963 -17.921 20.961 649 HZ3 LYS 75 2HZ LYS 75 -4.743 -18.176 19.535 650 H ASP 76 H ASP 76 -3.778 -11.834 17.920 651 HA ASP 76 HA ASP 76 -1.338 -11.281 19.610 652 HB2 ASP 76 1HB ASP 76 -1.560 -12.338 16.749 653 HB3 ASP 76 2HB ASP 76 -0.083 -12.245 17.679 654 H ILE 77 H ILE 77 -1.729 -9.014 19.773 655 HA ILE 77 HA ILE 77 -1.586 -7.301 17.303 656 HB ILE 77 HB ILE 77 -1.995 -6.398 20.191 657 HG12 ILE 77 1HG1 ILE 77 -4.156 -7.006 18.055 658 HG13 ILE 77 2HG1 ILE 77 -3.826 -7.992 19.451 659 HG21 ILE 77 1HG2 ILE 77 -2.876 -4.286 19.187 660 HG22 ILE 77 2HG2 ILE 77 -1.243 -4.564 18.589 661 HG23 ILE 77 3HG2 ILE 77 -2.634 -4.916 17.541 662 HD11 ILE 77 3HD1 ILE 77 -4.555 -6.119 21.001 663 HD12 ILE 77 1HD1 ILE 77 -5.000 -5.146 19.570 664 HD13 ILE 77 2HD1 ILE 77 -5.826 -6.679 19.893 665 H ASN 78 H ASN 78 0.428 -7.348 16.499 666 HA ASN 78 HA ASN 78 2.897 -6.987 18.205 667 HB2 ASN 78 1HB ASN 78 2.721 -8.765 16.506 668 HB3 ASN 78 2HB ASN 78 2.412 -7.607 15.235 669 HD21 ASN 78 1HD2 ASN 78 4.217 -8.586 14.099 670 HD22 ASN 78 2HD2 ASN 78 5.917 -8.258 14.726 671 H VAL 79 H VAL 79 2.816 -4.899 18.889 672 HA VAL 79 HA VAL 79 2.492 -2.571 17.016 673 HB VAL 79 HB VAL 79 2.938 -2.613 20.056 674 HG11 VAL 79 1HG1 VAL 79 1.973 -0.273 18.267 675 HG12 VAL 79 2HG1 VAL 79 1.996 -0.270 20.048 676 HG13 VAL 79 3HG1 VAL 79 3.513 -0.357 19.150 677 HG21 VAL 79 3HG2 VAL 79 0.258 -2.296 18.538 678 HG22 VAL 79 1HG2 VAL 79 0.751 -3.712 19.494 679 HG23 VAL 79 2HG2 VAL 79 0.488 -2.162 20.296 680 H ARG 80 H ARG 80 4.191 -1.754 15.934 681 HA ARG 80 HA ARG 80 6.693 -1.037 17.581 682 HE ARG 80 HE ARG 80 10.668 0.133 13.599 683 HB2 ARG 80 1HB ARG 80 7.253 -2.729 15.804 684 HB3 ARG 80 2HB ARG 80 6.626 -1.647 14.569 685 HG2 ARG 80 1HG ARG 80 8.369 0.113 15.304 686 HG3 ARG 80 2HG ARG 80 9.037 -1.059 16.429 687 HD2 ARG 80 1HD ARG 80 9.604 -2.604 14.450 688 HD3 ARG 80 2HD ARG 80 8.839 -1.462 13.364 689 HH11 ARG 80 2HH1 ARG 80 11.205 -2.541 15.747 690 HH12 ARG 80 1HH1 ARG 80 12.907 -1.971 16.120 691 HH21 ARG 80 2HH2 ARG 80 12.483 0.781 14.075 692 HH22 ARG 80 1HH2 ARG 80 13.606 -0.156 15.182 693 H VAL 81 H VAL 81 6.511 1.062 18.066 694 HA VAL 81 HA VAL 81 5.476 3.089 16.011 695 HB VAL 81 HB VAL 81 6.325 3.600 18.906 696 HG11 VAL 81 1HG1 VAL 81 5.267 5.882 18.554 697 HG12 VAL 81 2HG1 VAL 81 6.673 5.649 17.511 698 HG13 VAL 81 3HG1 VAL 81 5.042 5.515 16.826 699 HG21 VAL 81 3HG2 VAL 81 3.875 4.041 19.335 700 HG22 VAL 81 1HG2 VAL 81 3.474 3.510 17.683 701 HG23 VAL 81 2HG2 VAL 81 4.140 2.358 18.856 702 H ASN 82 H ASN 82 6.971 3.283 14.472 703 HA ASN 82 HA ASN 82 9.975 3.240 15.103 704 HB2 ASN 82 1HB ASN 82 8.854 1.607 13.429 705 HB3 ASN 82 2HB ASN 82 8.446 2.963 12.434 706 HD21 ASN 82 1HD2 ASN 82 9.827 2.788 10.671 707 HD22 ASN 82 2HD2 ASN 82 11.636 2.514 10.864 708 H GLY 83 H GLY 83 9.483 5.365 16.112 709 HA2 GLY 83 1HA GLY 83 9.937 7.783 16.066 710 HA3 GLY 83 2HA GLY 83 10.059 7.762 14.319 711 H THR 84 H THR 84 8.277 8.269 13.159 712 HA THR 84 HA THR 84 5.586 8.699 14.575 713 HB THR 84 HB THR 84 4.874 10.238 12.903 714 HG1 THR 84 HG1 THR 84 5.808 10.498 11.089 715 HG21 THR 84 3HG2 THR 84 6.199 11.277 14.773 716 HG22 THR 84 1HG2 THR 84 7.671 11.157 13.778 717 HG23 THR 84 2HG2 THR 84 6.326 12.190 13.245 718 H GLU 85 H GLU 85 7.097 6.604 12.358 719 HA GLU 85 HA GLU 85 4.676 5.671 10.869 720 HB2 GLU 85 1HB GLU 85 6.930 5.409 9.911 721 HB3 GLU 85 2HB GLU 85 7.487 4.561 11.325 722 HG2 GLU 85 1HG GLU 85 5.390 2.852 10.483 723 HG3 GLU 85 2HG GLU 85 5.926 3.517 8.950 724 H VAL 86 H VAL 86 3.069 4.780 11.961 725 HA VAL 86 HA VAL 86 3.571 3.083 14.489 726 HB VAL 86 HB VAL 86 1.086 4.537 13.523 727 HG11 VAL 86 1HG1 VAL 86 1.331 2.769 16.041 728 HG12 VAL 86 2HG1 VAL 86 -0.055 3.807 15.606 729 HG13 VAL 86 3HG1 VAL 86 0.343 2.412 14.599 730 HG21 VAL 86 3HG2 VAL 86 1.286 5.871 15.592 731 HG22 VAL 86 1HG2 VAL 86 2.757 4.993 16.071 732 HG23 VAL 86 2HG2 VAL 86 2.763 6.032 14.629 733 H LYS 87 H LYS 87 4.156 1.193 13.738 734 HA LYS 87 HA LYS 87 2.597 -0.281 11.558 735 HB2 LYS 87 1HB LYS 87 5.049 0.027 11.361 736 HB3 LYS 87 2HB LYS 87 5.339 -0.795 12.867 737 HG2 LYS 87 1HG LYS 87 3.934 -2.167 10.472 738 HG3 LYS 87 2HG LYS 87 5.676 -2.005 10.568 739 HD2 LYS 87 1HD LYS 87 5.701 -3.272 12.781 740 HD3 LYS 87 2HD LYS 87 3.960 -3.511 12.653 741 HE2 LYS 87 1HE LYS 87 4.286 -4.716 10.439 742 HE3 LYS 87 2HE LYS 87 6.019 -4.529 10.551 743 HZ1 LYS 87 3HZ LYS 87 6.111 -6.130 12.314 744 HZ2 LYS 87 1HZ LYS 87 4.605 -5.788 12.871 745 HZ3 LYS 87 2HZ LYS 87 4.764 -6.713 11.527 746 H ILE 88 H ILE 88 0.779 -1.023 12.541 747 HA ILE 88 HA ILE 88 1.084 -2.780 15.065 748 HB ILE 88 HB ILE 88 -1.439 -1.326 14.158 749 HG12 ILE 88 1HG1 ILE 88 0.127 -0.769 16.766 750 HG13 ILE 88 2HG1 ILE 88 0.513 0.095 15.303 751 HG21 ILE 88 1HG2 ILE 88 -0.882 -3.090 16.654 752 HG22 ILE 88 2HG2 ILE 88 -2.368 -2.152 16.397 753 HG23 ILE 88 3HG2 ILE 88 -1.970 -3.494 15.312 754 HD11 ILE 88 3HD1 ILE 88 -1.805 0.985 15.093 755 HD12 ILE 88 1HD1 ILE 88 -2.285 0.160 16.603 756 HD13 ILE 88 2HD1 ILE 88 -1.045 1.432 16.623 757 H GLU 89 H GLU 89 1.383 -4.732 14.325 758 HA GLU 89 HA GLU 89 -0.154 -5.805 11.907 759 HB2 GLU 89 1HB GLU 89 2.258 -5.848 11.758 760 HB3 GLU 89 2HB GLU 89 2.424 -6.625 13.322 761 HG2 GLU 89 1HG GLU 89 1.213 -8.707 12.306 762 HG3 GLU 89 2HG GLU 89 1.340 -7.929 10.728 763 H VAL 90 H VAL 90 -1.875 -7.027 12.292 764 HA VAL 90 HA VAL 90 -2.178 -8.379 15.022 765 HB VAL 90 HB VAL 90 -4.536 -8.575 14.747 766 HG11 VAL 90 1HG1 VAL 90 -3.709 -5.640 14.593 767 HG12 VAL 90 2HG1 VAL 90 -5.067 -6.359 15.519 768 HG13 VAL 90 3HG1 VAL 90 -3.395 -6.665 16.001 769 HG21 VAL 90 3HG2 VAL 90 -4.426 -6.653 12.342 770 HG22 VAL 90 1HG2 VAL 90 -4.869 -8.385 12.279 771 HG23 VAL 90 2HG2 VAL 90 -5.892 -7.260 13.161 772 H ARG 91 H ARG 91 -2.095 -10.412 15.181 773 HA ARG 91 HA ARG 91 -2.692 -12.227 12.775 774 HE ARG 91 HE ARG 91 1.854 -13.769 13.719 775 HB2 ARG 91 1HB ARG 91 -0.458 -12.347 14.892 776 HB3 ARG 91 2HB ARG 91 -0.909 -13.762 13.981 777 HG2 ARG 91 1HG ARG 91 0.001 -12.994 11.981 778 HG3 ARG 91 2HG ARG 91 -0.490 -11.351 12.219 779 HD2 ARG 91 1HD ARG 91 1.812 -11.203 12.187 780 HD3 ARG 91 2HD ARG 91 1.400 -10.978 13.891 781 HH11 ARG 91 2HH1 ARG 91 3.874 -10.971 12.788 782 HH12 ARG 91 1HH1 ARG 91 5.367 -12.004 12.998 783 HH21 ARG 91 2HH2 ARG 91 3.615 -14.788 13.960 784 HH22 ARG 91 1HH2 ARG 91 5.235 -14.016 13.636 785 H VAL 92 H VAL 92 -3.685 -14.146 13.107 786 HA VAL 92 HA VAL 92 -5.729 -14.097 15.333 787 HB VAL 92 HB VAL 92 -5.553 -15.949 12.876 788 HG11 VAL 92 1HG1 VAL 92 -7.998 -16.394 13.271 789 HG12 VAL 92 2HG1 VAL 92 -7.053 -16.921 14.671 790 HG13 VAL 92 3HG1 VAL 92 -7.969 -15.399 14.746 791 HG21 VAL 92 3HG2 VAL 92 -7.262 -13.387 13.244 792 HG22 VAL 92 1HG2 VAL 92 -5.884 -13.558 12.136 793 HG23 VAL 92 2HG2 VAL 92 -7.353 -14.497 11.857
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