NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10470 | 1psb | 5838 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1H SER 1 9.902 5.738 -12.536 2 2H SER 1 2H SER 1 9.169 4.770 -11.437 3 3H SER 1 3H SER 1 8.268 5.855 -12.307 4 HA SER 1 HA SER 1 8.719 4.757 -14.326 5 1HB SER 1 1HB SER 1 10.133 2.601 -12.743 6 2HB SER 1 2HB SER 1 10.103 2.837 -14.506 7 HG SER 1 HG SER 1 11.950 3.658 -12.954 8 H GLU 2 H GLU 2 8.408 1.626 -13.604 9 HA GLU 2 HA GLU 2 5.690 1.645 -14.093 10 1HB GLU 2 1HB GLU 2 7.244 -0.250 -14.525 11 2HB GLU 2 2HB GLU 2 7.305 -0.590 -12.792 12 1HG GLU 2 1HG GLU 2 5.754 -2.105 -13.909 13 2HG GLU 2 2HG GLU 2 4.867 -1.060 -12.793 14 H LEU 3 H LEU 3 7.274 1.118 -10.868 15 HA LEU 3 HA LEU 3 4.790 0.783 -9.489 16 1HB LEU 3 1HB LEU 3 7.314 2.017 -8.345 17 2HB LEU 3 2HB LEU 3 5.920 1.410 -7.437 18 HG LEU 3 HG LEU 3 7.829 -0.282 -9.090 19 1HD1 LEU 3 1HD1 LEU 3 7.242 -0.171 -6.092 20 2HD1 LEU 3 2HD1 LEU 3 8.433 -1.211 -6.893 21 3HD1 LEU 3 3HD1 LEU 3 8.668 0.544 -6.858 22 1HD2 LEU 3 1HD2 LEU 3 6.623 -2.229 -8.150 23 2HD2 LEU 3 2HD2 LEU 3 5.607 -1.295 -9.253 24 3HD2 LEU 3 3HD2 LEU 3 5.406 -1.131 -7.487 25 H GLU 4 H GLU 4 6.617 3.802 -10.241 26 HA GLU 4 HA GLU 4 4.879 5.559 -8.813 27 1HB GLU 4 1HB GLU 4 6.433 6.079 -11.371 28 2HB GLU 4 2HB GLU 4 5.644 7.303 -10.376 29 1HG GLU 4 1HG GLU 4 7.065 6.748 -8.457 30 2HG GLU 4 2HG GLU 4 7.854 5.472 -9.377 31 H LYS 5 H LYS 5 4.746 4.208 -12.112 32 HA LYS 5 HA LYS 5 2.567 5.779 -13.034 33 1HB LYS 5 1HB LYS 5 4.018 4.586 -14.562 34 2HB LYS 5 2HB LYS 5 3.496 3.026 -13.923 35 1HG LYS 5 1HG LYS 5 2.432 3.536 -16.056 36 2HG LYS 5 2HG LYS 5 1.240 3.343 -14.768 37 1HD LYS 5 1HD LYS 5 0.933 5.785 -14.619 38 2HD LYS 5 2HD LYS 5 2.298 6.049 -15.721 39 1HE LYS 5 1HE LYS 5 0.183 6.345 -16.902 40 2HE LYS 5 2HE LYS 5 1.037 4.936 -17.548 41 1HZ LYS 5 1HZ LYS 5 -1.159 4.861 -15.593 42 2HZ LYS 5 2HZ LYS 5 -1.287 4.513 -17.199 43 3HZ LYS 5 3HZ LYS 5 -0.383 3.549 -16.218 44 H ALA 6 H ALA 6 2.691 2.458 -11.734 45 HA ALA 6 HA ALA 6 -0.052 1.859 -11.553 46 1HB ALA 6 1HB ALA 6 2.286 1.115 -9.739 47 2HB ALA 6 2HB ALA 6 0.712 0.299 -9.728 48 3HB ALA 6 3HB ALA 6 1.740 0.240 -11.176 49 H VAL 7 H VAL 7 2.072 3.429 -9.135 50 HA VAL 7 HA VAL 7 0.114 3.892 -7.166 51 HB VAL 7 HB VAL 7 2.805 5.099 -7.828 52 1HG1 VAL 7 1HG1 VAL 7 0.905 6.021 -5.678 53 2HG1 VAL 7 2HG1 VAL 7 2.663 6.231 -5.586 54 3HG1 VAL 7 3HG1 VAL 7 1.758 6.994 -6.904 55 1HG2 VAL 7 1HG2 VAL 7 1.715 3.459 -5.498 56 2HG2 VAL 7 2HG2 VAL 7 2.654 2.807 -6.839 57 3HG2 VAL 7 3HG2 VAL 7 3.407 3.957 -5.723 58 H VAL 8 H VAL 8 1.212 6.245 -9.744 59 HA VAL 8 HA VAL 8 -0.695 8.163 -8.828 60 HB VAL 8 HB VAL 8 -0.341 9.427 -10.813 61 1HG1 VAL 8 1HG1 VAL 8 2.050 9.869 -10.526 62 2HG1 VAL 8 2HG1 VAL 8 1.269 9.588 -8.962 63 3HG1 VAL 8 3HG1 VAL 8 2.274 8.326 -9.692 64 1HG2 VAL 8 1HG2 VAL 8 -0.196 7.665 -12.524 65 2HG2 VAL 8 2HG2 VAL 8 1.207 8.746 -12.581 66 3HG2 VAL 8 3HG2 VAL 8 1.356 7.147 -11.840 67 H ALA 9 H ALA 9 -0.992 5.450 -11.144 68 HA ALA 9 HA ALA 9 -3.624 6.104 -12.021 69 1HB ALA 9 1HB ALA 9 -2.491 3.318 -11.561 70 2HB ALA 9 2HB ALA 9 -3.904 3.758 -12.528 71 3HB ALA 9 3HB ALA 9 -2.286 4.297 -13.028 72 H LEU 10 H LEU 10 -2.578 4.152 -9.136 73 HA LEU 10 HA LEU 10 -5.193 3.733 -8.090 74 1HB LEU 10 1HB LEU 10 -2.579 4.165 -6.580 75 2HB LEU 10 2HB LEU 10 -4.073 3.608 -5.850 76 HG LEU 10 HG LEU 10 -2.556 2.087 -8.007 77 1HD1 LEU 10 1HD1 LEU 10 -1.884 0.613 -6.153 78 2HD1 LEU 10 2HD1 LEU 10 -1.326 2.267 -5.841 79 3HD1 LEU 10 3HD1 LEU 10 -2.765 1.639 -5.002 80 1HD2 LEU 10 1HD2 LEU 10 -4.899 1.281 -6.230 81 2HD2 LEU 10 2HD2 LEU 10 -4.945 1.487 -8.000 82 3HD2 LEU 10 3HD2 LEU 10 -3.976 0.190 -7.281 83 H ILE 11 H ILE 11 -2.915 6.433 -7.461 84 HA ILE 11 HA ILE 11 -4.539 7.864 -5.633 85 HB ILE 11 HB ILE 11 -2.482 8.842 -7.652 86 1HG1 ILE 11 1HG1 ILE 11 -2.354 8.429 -4.638 87 2HG1 ILE 11 2HG1 ILE 11 -1.701 7.306 -5.819 88 1HG2 ILE 11 1HG2 ILE 11 -3.979 10.737 -7.101 89 2HG2 ILE 11 2HG2 ILE 11 -3.743 10.417 -5.373 90 3HG2 ILE 11 3HG2 ILE 11 -2.397 10.959 -6.396 91 1HD1 ILE 11 1HD1 ILE 11 -0.699 10.133 -5.279 92 2HD1 ILE 11 2HD1 ILE 11 0.107 8.602 -4.961 93 3HD1 ILE 11 3HD1 ILE 11 -0.159 9.119 -6.635 94 H ASP 12 H ASP 12 -4.313 8.205 -9.213 95 HA ASP 12 HA ASP 12 -6.200 10.310 -9.398 96 1HB ASP 12 1HB ASP 12 -4.657 9.836 -11.207 97 2HB ASP 12 2HB ASP 12 -5.296 8.198 -11.400 98 H VAL 13 H VAL 13 -6.624 6.775 -9.962 99 HA VAL 13 HA VAL 13 -9.370 6.892 -10.638 100 HB VAL 13 HB VAL 13 -7.664 4.685 -9.410 101 1HG1 VAL 13 1HG1 VAL 13 -9.995 4.145 -8.860 102 2HG1 VAL 13 2HG1 VAL 13 -10.503 4.517 -10.521 103 3HG1 VAL 13 3HG1 VAL 13 -9.454 3.123 -10.197 104 1HG2 VAL 13 1HG2 VAL 13 -7.129 5.537 -11.765 105 2HG2 VAL 13 2HG2 VAL 13 -7.573 3.830 -11.663 106 3HG2 VAL 13 3HG2 VAL 13 -8.754 5.026 -12.241 107 H PHE 14 H PHE 14 -7.800 6.276 -7.449 108 HA PHE 14 HA PHE 14 -10.203 6.159 -5.943 109 1HB PHE 14 1HB PHE 14 -8.028 5.488 -5.060 110 2HB PHE 14 2HB PHE 14 -7.436 7.143 -5.168 111 HD1 PHE 14 HD1 PHE 14 -9.427 4.793 -3.182 112 HD2 PHE 14 HD2 PHE 14 -8.419 8.949 -3.723 113 HE1 PHE 14 HE1 PHE 14 -10.220 5.311 -0.871 114 HE2 PHE 14 HE2 PHE 14 -9.222 9.440 -1.467 115 HZ PHE 14 HZ PHE 14 -10.073 7.615 0.001 116 H HIS 15 H HIS 15 -8.093 8.988 -6.695 117 HA HIS 15 HA HIS 15 -9.407 10.888 -5.145 118 1HB HIS 15 1HB HIS 15 -7.241 11.262 -6.196 119 2HB HIS 15 2HB HIS 15 -7.971 11.255 -7.805 120 HD1 HIS 15 HD1 HIS 15 -9.884 13.421 -8.129 121 HD2 HIS 15 HD2 HIS 15 -6.842 13.592 -5.211 122 HE1 HIS 15 HE1 HIS 15 -9.607 15.863 -7.505 123 H GLN 16 H GLN 16 -9.998 10.110 -8.634 124 HA GLN 16 HA GLN 16 -12.077 12.106 -8.760 125 1HB GLN 16 1HB GLN 16 -11.892 9.756 -10.655 126 2HB GLN 16 2HB GLN 16 -12.609 11.347 -10.914 127 1HG GLN 16 1HG GLN 16 -9.742 10.499 -11.014 128 2HG GLN 16 2HG GLN 16 -10.650 11.484 -12.139 129 1HE2 GLN 16 1HE2 GLN 16 -7.969 12.012 -11.065 130 2HE2 GLN 16 2HE2 GLN 16 -8.087 13.533 -10.195 131 H TYR 17 H TYR 17 -12.302 8.551 -8.217 132 HA TYR 17 HA TYR 17 -15.166 8.530 -8.128 133 1HB TYR 17 1HB TYR 17 -13.057 6.714 -6.951 134 2HB TYR 17 2HB TYR 17 -14.778 6.469 -6.675 135 HD1 TYR 17 HD1 TYR 17 -15.611 4.675 -7.920 136 HD2 TYR 17 HD2 TYR 17 -12.751 7.315 -9.805 137 HE1 TYR 17 HE1 TYR 17 -15.643 3.286 -9.966 138 HE2 TYR 17 HE2 TYR 17 -12.769 5.906 -11.802 139 HH TYR 17 HH TYR 17 -14.763 2.981 -12.170 140 H SER 18 H SER 18 -12.718 9.004 -5.589 141 HA SER 18 HA SER 18 -14.435 9.464 -3.376 142 1HB SER 18 1HB SER 18 -12.046 8.968 -3.151 143 2HB SER 18 2HB SER 18 -11.630 10.497 -3.936 144 HG SER 18 HG SER 18 -13.291 10.421 -1.643 145 H GLY 19 H GLY 19 -13.878 11.518 -6.173 146 1HA GLY 19 1HA GLY 19 -14.494 14.026 -4.812 147 2HA GLY 19 2HA GLY 19 -14.367 13.707 -6.550 148 H ARG 20 H ARG 20 -16.254 11.276 -6.198 149 HA ARG 20 HA ARG 20 -18.515 12.826 -7.096 150 1HB ARG 20 1HB ARG 20 -18.348 9.839 -6.609 151 2HB ARG 20 2HB ARG 20 -19.510 10.709 -7.622 152 1HG ARG 20 1HG ARG 20 -17.485 11.509 -9.003 153 2HG ARG 20 2HG ARG 20 -16.499 10.439 -8.047 154 1HD ARG 20 1HD ARG 20 -17.098 9.382 -10.155 155 2HD ARG 20 2HD ARG 20 -17.624 8.459 -8.762 156 HE ARG 20 HE ARG 20 -19.321 10.116 -10.599 157 1HH1 ARG 20 2HH2 ARG 20 -19.287 7.688 -7.974 158 2HH1 ARG 20 1HH2 ARG 20 -20.693 6.868 -8.572 159 1HH2 ARG 20 2HH1 ARG 20 -21.322 9.208 -11.158 160 2HH2 ARG 20 1HH1 ARG 20 -21.988 7.890 -10.231 161 H GLU 21 H GLU 21 -18.071 10.527 -4.369 162 HA GLU 21 HA GLU 21 -19.821 12.213 -2.717 163 1HB GLU 21 1HB GLU 21 -20.331 9.222 -2.895 164 2HB GLU 21 2HB GLU 21 -21.081 10.374 -1.793 165 1HG GLU 21 1HG GLU 21 -22.043 11.589 -3.767 166 2HG GLU 21 2HG GLU 21 -21.358 10.352 -4.836 167 H GLY 22 H GLY 22 -18.298 12.833 -1.322 168 1HA GLY 22 1HA GLY 22 -17.024 11.628 0.702 169 2HA GLY 22 2HA GLY 22 -16.057 11.114 -0.711 170 H ASP 23 H ASP 23 -14.257 12.472 -0.344 171 HA ASP 23 HA ASP 23 -14.571 15.022 -1.563 172 1HB ASP 23 1HB ASP 23 -15.262 15.763 0.712 173 2HB ASP 23 2HB ASP 23 -13.742 15.139 1.371 174 H LYS 24 H LYS 24 -13.247 13.156 -2.606 175 HA LYS 24 HA LYS 24 -11.345 12.891 -3.764 176 1HB LYS 24 1HB LYS 24 -10.150 15.180 -2.186 177 2HB LYS 24 2HB LYS 24 -9.550 14.490 -3.696 178 1HG LYS 24 1HG LYS 24 -11.590 15.194 -4.876 179 2HG LYS 24 2HG LYS 24 -12.262 15.844 -3.365 180 1HD LYS 24 1HD LYS 24 -10.342 17.414 -3.172 181 2HD LYS 24 2HD LYS 24 -9.680 16.785 -4.684 182 1HE LYS 24 1HE LYS 24 -10.859 18.870 -5.122 183 2HE LYS 24 2HE LYS 24 -11.738 17.538 -5.891 184 1HZ LYS 24 1HZ LYS 24 -12.414 18.754 -3.297 185 2HZ LYS 24 2HZ LYS 24 -13.177 19.068 -4.724 186 3HZ LYS 24 3HZ LYS 24 -13.263 17.566 -4.055 187 H HIS 25 H HIS 25 -10.557 13.380 -0.312 188 HA HIS 25 HA HIS 25 -8.366 11.426 -0.344 189 1HB HIS 25 1HB HIS 25 -9.687 13.022 1.885 190 2HB HIS 25 2HB HIS 25 -8.233 12.039 2.056 191 HD1 HIS 25 HD1 HIS 25 -6.490 13.021 -0.357 192 HD2 HIS 25 HD2 HIS 25 -8.689 15.389 2.343 193 HE1 HIS 25 HE1 HIS 25 -5.265 15.251 -0.162 194 H LYS 26 H LYS 26 -11.759 11.082 -0.133 195 HA LYS 26 HA LYS 26 -11.582 8.647 1.485 196 1HB LYS 26 1HB LYS 26 -13.286 9.420 3.112 197 2HB LYS 26 2HB LYS 26 -11.734 10.244 3.208 198 1HG LYS 26 1HG LYS 26 -12.945 12.052 1.635 199 2HG LYS 26 2HG LYS 26 -14.400 11.351 2.341 200 1HD LYS 26 1HD LYS 26 -11.992 12.507 3.845 201 2HD LYS 26 2HD LYS 26 -13.512 13.359 3.553 202 1HE LYS 26 1HE LYS 26 -14.750 11.773 4.930 203 2HE LYS 26 2HE LYS 26 -13.294 10.770 5.156 204 1HZ LYS 26 1HZ LYS 26 -12.294 12.612 6.289 205 2HZ LYS 26 2HZ LYS 26 -13.667 13.511 6.116 206 3HZ LYS 26 3HZ LYS 26 -13.688 12.130 7.021 207 H LEU 27 H LEU 27 -12.803 7.099 0.581 208 HA LEU 27 HA LEU 27 -14.836 7.831 -1.483 209 1HB LEU 27 1HB LEU 27 -13.643 5.218 -0.461 210 2HB LEU 27 2HB LEU 27 -14.998 5.251 -1.584 211 HG LEU 27 HG LEU 27 -12.343 6.562 -2.233 212 1HD1 LEU 27 1HD1 LEU 27 -12.011 4.117 -1.788 213 2HD1 LEU 27 2HD1 LEU 27 -13.335 3.741 -2.900 214 3HD1 LEU 27 3HD1 LEU 27 -11.849 4.480 -3.519 215 1HD2 LEU 27 1HD2 LEU 27 -14.524 5.477 -4.066 216 2HD2 LEU 27 2HD2 LEU 27 -14.392 7.185 -3.611 217 3HD2 LEU 27 3HD2 LEU 27 -13.087 6.409 -4.526 218 H LYS 28 H LYS 28 -17.011 8.114 -0.777 219 HA LYS 28 HA LYS 28 -17.899 7.094 1.793 220 1HB LYS 28 1HB LYS 28 -18.795 9.094 0.410 221 2HB LYS 28 2HB LYS 28 -19.669 7.867 -0.513 222 1HG LYS 28 1HG LYS 28 -21.231 8.482 1.070 223 2HG LYS 28 2HG LYS 28 -20.497 7.115 1.919 224 1HD LYS 28 1HD LYS 28 -19.053 8.644 3.208 225 2HD LYS 28 2HD LYS 28 -19.730 10.037 2.338 226 1HE LYS 28 1HE LYS 28 -21.978 9.510 3.238 227 2HE LYS 28 2HE LYS 28 -21.312 8.098 4.090 228 1HZ LYS 28 1HZ LYS 28 -19.986 9.526 5.399 229 2HZ LYS 28 2HZ LYS 28 -20.453 10.867 4.553 230 3HZ LYS 28 3HZ LYS 28 -21.542 10.046 5.479 231 H LYS 29 H LYS 29 -19.510 5.362 2.084 232 HA LYS 29 HA LYS 29 -18.850 2.935 0.985 233 1HB LYS 29 1HB LYS 29 -21.073 2.100 1.740 234 2HB LYS 29 2HB LYS 29 -20.135 2.955 2.951 235 1HG LYS 29 1HG LYS 29 -21.489 4.989 2.640 236 2HG LYS 29 2HG LYS 29 -22.466 4.166 1.404 237 1HD LYS 29 1HD LYS 29 -23.145 2.469 3.087 238 2HD LYS 29 2HD LYS 29 -22.144 3.262 4.311 239 1HE LYS 29 1HE LYS 29 -24.514 4.557 2.878 240 2HE LYS 29 2HE LYS 29 -24.562 3.836 4.494 241 1HZ LYS 29 1HZ LYS 29 -24.277 6.174 4.625 242 2HZ LYS 29 2HZ LYS 29 -22.922 5.427 5.193 243 3HZ LYS 29 3HZ LYS 29 -22.914 6.130 3.702 244 H SER 30 H SER 30 -21.222 5.139 -0.521 245 HA SER 30 HA SER 30 -22.206 3.404 -2.542 246 1HB SER 30 1HB SER 30 -22.316 5.816 -3.668 247 2HB SER 30 2HB SER 30 -23.320 5.448 -2.252 248 HG SER 30 HG SER 30 -22.087 7.429 -2.087 249 H GLU 31 H GLU 31 -19.380 5.600 -2.351 250 HA GLU 31 HA GLU 31 -18.558 5.017 -5.082 251 1HB GLU 31 1HB GLU 31 -16.908 6.327 -2.880 252 2HB GLU 31 2HB GLU 31 -16.637 6.385 -4.635 253 1HG GLU 31 1HG GLU 31 -18.925 7.604 -3.080 254 2HG GLU 31 2HG GLU 31 -17.664 8.455 -3.983 255 H LEU 32 H LEU 32 -17.526 3.879 -1.861 256 HA LEU 32 HA LEU 32 -15.356 2.289 -2.790 257 1HB LEU 32 1HB LEU 32 -15.758 2.925 -0.466 258 2HB LEU 32 2HB LEU 32 -17.200 1.891 -0.405 259 HG LEU 32 HG LEU 32 -15.032 1.088 0.695 260 1HD1 LEU 32 1HD1 LEU 32 -16.962 -0.373 0.358 261 2HD1 LEU 32 2HD1 LEU 32 -16.353 -0.840 -1.242 262 3HD1 LEU 32 3HD1 LEU 32 -15.427 -1.240 0.212 263 1HD2 LEU 32 1HD2 LEU 32 -14.204 0.362 -2.135 264 2HD2 LEU 32 2HD2 LEU 32 -13.488 1.657 -1.149 265 3HD2 LEU 32 3HD2 LEU 32 -13.365 -0.032 -0.627 266 H LYS 33 H LYS 33 -18.824 1.497 -2.263 267 HA LYS 33 HA LYS 33 -18.845 -1.174 -3.137 268 1HB LYS 33 1HB LYS 33 -20.744 -0.127 -2.111 269 2HB LYS 33 2HB LYS 33 -20.812 1.141 -3.293 270 1HG LYS 33 1HG LYS 33 -21.559 -0.440 -5.046 271 2HG LYS 33 2HG LYS 33 -21.521 -1.772 -3.873 272 1HD LYS 33 1HD LYS 33 -23.192 -0.589 -2.483 273 2HD LYS 33 2HD LYS 33 -23.125 0.813 -3.555 274 1HE LYS 33 1HE LYS 33 -25.107 -0.376 -4.130 275 2HE LYS 33 2HE LYS 33 -23.956 -0.642 -5.447 276 1HZ LYS 33 1HZ LYS 33 -23.464 -2.795 -4.461 277 2HZ LYS 33 2HZ LYS 33 -24.550 -2.513 -3.251 278 3HZ LYS 33 3HZ LYS 33 -25.065 -2.636 -4.804 279 H GLU 34 H GLU 34 -19.400 1.826 -5.033 280 HA GLU 34 HA GLU 34 -19.811 0.461 -7.481 281 1HB GLU 34 1HB GLU 34 -20.520 2.813 -7.128 282 2HB GLU 34 2HB GLU 34 -18.853 3.313 -6.815 283 1HG GLU 34 1HG GLU 34 -18.236 2.766 -9.168 284 2HG GLU 34 2HG GLU 34 -19.937 2.371 -9.497 285 H LEU 35 H LEU 35 -16.894 2.073 -6.167 286 HA LEU 35 HA LEU 35 -15.031 1.596 -8.179 287 1HB LEU 35 1HB LEU 35 -14.683 2.992 -6.262 288 2HB LEU 35 2HB LEU 35 -14.844 1.640 -5.151 289 HG LEU 35 HG LEU 35 -12.579 2.459 -5.312 290 1HD1 LEU 35 1HD1 LEU 35 -12.957 0.020 -4.868 291 2HD1 LEU 35 2HD1 LEU 35 -12.530 -0.303 -6.569 292 3HD1 LEU 35 3HD1 LEU 35 -11.361 0.441 -5.498 293 1HD2 LEU 35 1HD2 LEU 35 -12.589 3.295 -7.626 294 2HD2 LEU 35 2HD2 LEU 35 -11.177 2.279 -7.273 295 3HD2 LEU 35 3HD2 LEU 35 -12.531 1.624 -8.228 296 H ILE 36 H ILE 36 -15.815 -0.585 -5.359 297 HA ILE 36 HA ILE 36 -14.078 -2.634 -6.263 298 HB ILE 36 HB ILE 36 -16.481 -2.681 -4.420 299 1HG1 ILE 36 1HG1 ILE 36 -13.448 -2.898 -4.049 300 2HG1 ILE 36 2HG1 ILE 36 -14.450 -1.498 -3.676 301 1HG2 ILE 36 1HG2 ILE 36 -14.656 -4.997 -5.190 302 2HG2 ILE 36 2HG2 ILE 36 -15.702 -4.980 -3.773 303 3HG2 ILE 36 3HG2 ILE 36 -16.415 -4.914 -5.380 304 1HD1 ILE 36 1HD1 ILE 36 -14.369 -4.156 -2.219 305 2HD1 ILE 36 2HD1 ILE 36 -14.011 -2.541 -1.609 306 3HD1 ILE 36 3HD1 ILE 36 -15.690 -2.983 -1.996 307 H ASN 37 H ASN 37 -17.622 -2.354 -6.764 308 HA ASN 37 HA ASN 37 -17.995 -4.668 -8.347 309 1HB ASN 37 1HB ASN 37 -19.363 -1.939 -8.328 310 2HB ASN 37 2HB ASN 37 -19.822 -3.200 -9.486 311 1HD2 ASN 37 2HD2 ASN 37 -19.701 -2.466 -5.987 312 2HD2 ASN 37 1HD2 ASN 37 -20.977 -3.621 -5.592 313 H ASN 38 H ASN 38 -17.161 -1.410 -9.351 314 HA ASN 38 HA ASN 38 -17.334 -1.863 -12.168 315 1HB ASN 38 1HB ASN 38 -17.893 0.247 -10.960 316 2HB ASN 38 2HB ASN 38 -16.170 0.452 -10.558 317 1HD2 ASN 38 1HD2 ASN 38 -18.354 -0.042 -13.383 318 2HD2 ASN 38 2HD2 ASN 38 -17.469 1.056 -14.432 319 H GLU 39 H GLU 39 -14.610 -1.571 -9.880 320 HA GLU 39 HA GLU 39 -12.678 -1.875 -12.147 321 1HB GLU 39 1HB GLU 39 -12.444 -0.501 -9.459 322 2HB GLU 39 2HB GLU 39 -11.105 -0.754 -10.574 323 1HG GLU 39 1HG GLU 39 -13.628 0.795 -11.311 324 2HG GLU 39 2HG GLU 39 -12.161 1.543 -10.678 325 H LEU 40 H LEU 40 -13.535 -3.239 -8.917 326 HA LEU 40 HA LEU 40 -11.025 -4.812 -8.956 327 1HB LEU 40 1HB LEU 40 -11.959 -3.609 -6.890 328 2HB LEU 40 2HB LEU 40 -13.207 -4.854 -6.871 329 HG LEU 40 HG LEU 40 -11.511 -6.556 -6.408 330 1HD1 LEU 40 1HD1 LEU 40 -9.196 -5.920 -5.869 331 2HD1 LEU 40 2HD1 LEU 40 -9.501 -5.527 -7.563 332 3HD1 LEU 40 3HD1 LEU 40 -9.514 -4.244 -6.329 333 1HD2 LEU 40 1HD2 LEU 40 -10.815 -5.663 -4.162 334 2HD2 LEU 40 2HD2 LEU 40 -11.371 -4.061 -4.671 335 3HD2 LEU 40 3HD2 LEU 40 -12.528 -5.397 -4.519 336 H SER 41 H SER 41 -13.652 -5.108 -10.717 337 HA SER 41 HA SER 41 -15.255 -7.110 -10.172 338 1HB SER 41 1HB SER 41 -14.111 -6.717 -12.948 339 2HB SER 41 2HB SER 41 -15.800 -6.984 -12.475 340 HG SER 41 HG SER 41 -15.825 -4.886 -11.620 341 H HIS 42 H HIS 42 -11.924 -7.639 -11.344 342 HA HIS 42 HA HIS 42 -12.465 -10.468 -12.001 343 1HB HIS 42 1HB HIS 42 -10.948 -9.025 -13.353 344 2HB HIS 42 2HB HIS 42 -9.838 -8.943 -11.986 345 HD1 HIS 42 HD1 HIS 42 -10.317 -12.260 -11.414 346 HD2 HIS 42 HD2 HIS 42 -8.961 -10.160 -14.803 347 HE1 HIS 42 HE1 HIS 42 -8.884 -13.889 -12.766 348 H PHE 43 H PHE 43 -11.228 -8.497 -9.342 349 HA PHE 43 HA PHE 43 -9.894 -10.803 -8.031 350 1HB PHE 43 1HB PHE 43 -10.038 -7.841 -7.508 351 2HB PHE 43 2HB PHE 43 -9.526 -8.964 -6.257 352 HD1 PHE 43 HD1 PHE 43 -8.743 -8.588 -9.957 353 HD2 PHE 43 HD2 PHE 43 -7.223 -8.932 -5.935 354 HE1 PHE 43 HE1 PHE 43 -6.436 -8.379 -10.807 355 HE2 PHE 43 HE2 PHE 43 -4.939 -8.540 -6.769 356 HZ PHE 43 HZ PHE 43 -4.531 -8.282 -9.225 357 H LEU 44 H LEU 44 -12.681 -8.585 -7.553 358 HA LEU 44 HA LEU 44 -13.871 -10.593 -5.684 359 1HB LEU 44 1HB LEU 44 -13.857 -7.558 -5.495 360 2HB LEU 44 2HB LEU 44 -15.263 -8.489 -4.979 361 HG LEU 44 HG LEU 44 -13.817 -9.899 -3.535 362 1HD1 LEU 44 1HD1 LEU 44 -11.635 -8.710 -2.787 363 2HD1 LEU 44 2HD1 LEU 44 -11.783 -7.729 -4.264 364 3HD1 LEU 44 3HD1 LEU 44 -11.565 -9.486 -4.366 365 1HD2 LEU 44 1HD2 LEU 44 -15.209 -8.115 -2.605 366 2HD2 LEU 44 2HD2 LEU 44 -13.677 -8.171 -1.729 367 3HD2 LEU 44 3HD2 LEU 44 -13.952 -6.905 -2.944 368 H GLU 45 H GLU 45 -15.912 -11.135 -6.173 369 HA GLU 45 HA GLU 45 -16.924 -10.379 -8.849 370 1HB GLU 45 1HB GLU 45 -18.814 -11.882 -8.338 371 2HB GLU 45 2HB GLU 45 -17.236 -12.674 -8.281 372 1HG GLU 45 1HG GLU 45 -17.254 -12.680 -5.845 373 2HG GLU 45 2HG GLU 45 -18.743 -11.713 -5.814 374 H GLU 46 H GLU 46 -19.237 -9.581 -9.007 375 HA GLU 46 HA GLU 46 -19.329 -7.034 -7.954 376 1HB GLU 46 1HB GLU 46 -21.420 -6.791 -9.041 377 2HB GLU 46 2HB GLU 46 -20.440 -7.868 -10.042 378 1HG GLU 46 1HG GLU 46 -21.614 -9.822 -8.920 379 2HG GLU 46 2HG GLU 46 -22.576 -8.632 -8.037 380 H ILE 47 H ILE 47 -20.773 -5.985 -6.651 381 HA ILE 47 HA ILE 47 -21.656 -7.503 -4.240 382 HB ILE 47 HB ILE 47 -20.204 -4.851 -3.958 383 1HG1 ILE 47 1HG1 ILE 47 -19.090 -7.606 -4.288 384 2HG1 ILE 47 2HG1 ILE 47 -18.546 -6.089 -5.021 385 1HG2 ILE 47 1HG2 ILE 47 -19.997 -5.658 -1.644 386 2HG2 ILE 47 2HG2 ILE 47 -21.690 -5.712 -2.133 387 3HG2 ILE 47 3HG2 ILE 47 -20.728 -7.201 -2.088 388 1HD1 ILE 47 1HD1 ILE 47 -18.176 -6.971 -2.125 389 2HD1 ILE 47 2HD1 ILE 47 -16.954 -6.804 -3.387 390 3HD1 ILE 47 3HD1 ILE 47 -17.768 -5.348 -2.753 391 H LYS 48 H LYS 48 -23.769 -7.334 -4.793 392 HA LYS 48 HA LYS 48 -25.120 -4.773 -5.101 393 1HB LYS 48 1HB LYS 48 -27.157 -6.067 -4.916 394 2HB LYS 48 2HB LYS 48 -26.039 -6.783 -6.083 395 1HG LYS 48 1HG LYS 48 -25.380 -8.497 -4.347 396 2HG LYS 48 2HG LYS 48 -26.585 -7.788 -3.248 397 1HD LYS 48 1HD LYS 48 -28.369 -8.275 -4.887 398 2HD LYS 48 2HD LYS 48 -27.169 -8.962 -6.002 399 1HE LYS 48 1HE LYS 48 -26.580 -10.686 -4.297 400 2HE LYS 48 2HE LYS 48 -27.789 -10.001 -3.193 401 1HZ LYS 48 1HZ LYS 48 -28.346 -11.162 -5.831 402 2HZ LYS 48 2HZ LYS 48 -28.630 -11.878 -4.375 403 3HZ LYS 48 3HZ LYS 48 -29.467 -10.525 -4.803 404 H GLU 49 H GLU 49 -24.074 -6.861 -2.478 405 HA GLU 49 HA GLU 49 -25.891 -5.999 -0.483 406 1HB GLU 49 1HB GLU 49 -23.144 -7.302 -0.301 407 2HB GLU 49 2HB GLU 49 -24.247 -7.101 1.065 408 1HG GLU 49 1HG GLU 49 -24.824 -8.732 -1.451 409 2HG GLU 49 2HG GLU 49 -24.410 -9.365 0.144 410 H GLN 50 H GLN 50 -25.875 -3.694 -0.760 411 HA GLN 50 HA GLN 50 -23.911 -1.947 0.008 412 1HB GLN 50 1HB GLN 50 -26.851 -1.919 0.135 413 2HB GLN 50 2HB GLN 50 -26.129 -0.888 1.362 414 1HG GLN 50 1HG GLN 50 -25.461 -0.760 -1.600 415 2HG GLN 50 2HG GLN 50 -26.605 0.288 -0.766 416 1HE2 GLN 50 1HE2 GLN 50 -24.049 -0.145 1.500 417 2HE2 GLN 50 2HE2 GLN 50 -23.158 1.271 0.996 418 H GLU 51 H GLU 51 -25.448 -4.285 2.094 419 HA GLU 51 HA GLU 51 -24.652 -3.243 4.650 420 1HB GLU 51 1HB GLU 51 -25.028 -6.128 3.700 421 2HB GLU 51 2HB GLU 51 -24.936 -5.586 5.381 422 1HG GLU 51 1HG GLU 51 -27.006 -4.278 5.107 423 2HG GLU 51 2HG GLU 51 -27.110 -4.737 3.401 424 H VAL 52 H VAL 52 -23.052 -5.369 2.216 425 HA VAL 52 HA VAL 52 -20.916 -6.029 4.087 426 HB VAL 52 HB VAL 52 -21.436 -6.752 1.181 427 1HG1 VAL 52 1HG1 VAL 52 -19.477 -8.312 1.494 428 2HG1 VAL 52 2HG1 VAL 52 -19.051 -6.621 1.310 429 3HG1 VAL 52 3HG1 VAL 52 -19.028 -7.365 2.919 430 1HG2 VAL 52 1HG2 VAL 52 -21.780 -8.987 2.199 431 2HG2 VAL 52 2HG2 VAL 52 -21.343 -8.352 3.791 432 3HG2 VAL 52 3HG2 VAL 52 -22.832 -7.816 2.991 433 H VAL 53 H VAL 53 -21.247 -3.936 1.146 434 HA VAL 53 HA VAL 53 -18.536 -3.157 1.053 435 HB VAL 53 HB VAL 53 -19.267 -1.254 -0.178 436 1HG1 VAL 53 1HG1 VAL 53 -19.322 -3.487 -1.240 437 2HG1 VAL 53 2HG1 VAL 53 -21.053 -3.630 -0.837 438 3HG1 VAL 53 3HG1 VAL 53 -20.504 -2.387 -1.947 439 1HG2 VAL 53 1HG2 VAL 53 -21.092 -0.324 1.043 440 2HG2 VAL 53 2HG2 VAL 53 -21.817 -0.889 -0.467 441 3HG2 VAL 53 3HG2 VAL 53 -21.961 -1.875 0.976 442 H ASP 54 H ASP 54 -21.299 -1.876 2.957 443 HA ASP 54 HA ASP 54 -19.859 0.114 4.363 444 1HB ASP 54 1HB ASP 54 -22.322 0.003 4.321 445 2HB ASP 54 2HB ASP 54 -22.283 -1.476 5.288 446 H LYS 55 H LYS 55 -20.438 -3.380 5.171 447 HA LYS 55 HA LYS 55 -19.137 -3.324 7.652 448 1HB LYS 55 1HB LYS 55 -20.509 -5.200 6.913 449 2HB LYS 55 2HB LYS 55 -19.366 -5.566 5.616 450 1HG LYS 55 1HG LYS 55 -19.117 -7.157 7.373 451 2HG LYS 55 2HG LYS 55 -17.633 -6.216 7.218 452 1HD LYS 55 1HD LYS 55 -18.376 -4.797 9.164 453 2HD LYS 55 2HD LYS 55 -19.822 -5.811 9.310 454 1HE LYS 55 1HE LYS 55 -16.909 -6.737 9.568 455 2HE LYS 55 2HE LYS 55 -18.017 -6.436 10.914 456 1HZ LYS 55 1HZ LYS 55 -18.365 -8.502 8.851 457 2HZ LYS 55 2HZ LYS 55 -17.911 -8.741 10.413 458 3HZ LYS 55 3HZ LYS 55 -19.423 -8.185 10.074 459 H VAL 56 H VAL 56 -17.693 -4.142 4.430 460 HA VAL 56 HA VAL 56 -15.105 -4.657 5.579 461 HB VAL 56 HB VAL 56 -14.233 -4.813 3.369 462 1HG1 VAL 56 1HG1 VAL 56 -15.655 -6.576 2.451 463 2HG1 VAL 56 2HG1 VAL 56 -15.592 -6.706 4.218 464 3HG1 VAL 56 3HG1 VAL 56 -17.028 -6.040 3.419 465 1HG2 VAL 56 1HG2 VAL 56 -15.581 -4.382 1.345 466 2HG2 VAL 56 2HG2 VAL 56 -16.849 -3.677 2.360 467 3HG2 VAL 56 3HG2 VAL 56 -15.259 -2.895 2.248 468 H MET 57 H MET 57 -16.653 -1.736 4.264 469 HA MET 57 HA MET 57 -14.333 -0.046 4.492 470 1HB MET 57 1HB MET 57 -16.048 0.730 3.220 471 2HB MET 57 2HB MET 57 -17.328 0.301 4.374 472 1HG MET 57 1HG MET 57 -16.772 2.111 5.846 473 2HG MET 57 2HG MET 57 -15.395 2.561 4.826 474 1HE MET 57 1HE MET 57 -16.747 2.219 1.822 475 2HE MET 57 2HE MET 57 -16.942 3.972 1.661 476 3HE MET 57 3HE MET 57 -15.528 3.333 2.478 477 H GLU 58 H GLU 58 -17.058 -0.673 6.730 478 HA GLU 58 HA GLU 58 -16.348 0.954 8.858 479 1HB GLU 58 1HB GLU 58 -18.501 -0.140 8.696 480 2HB GLU 58 2HB GLU 58 -17.763 -1.743 8.850 481 1HG GLU 58 1HG GLU 58 -17.082 -1.273 11.151 482 2HG GLU 58 2HG GLU 58 -17.625 0.402 10.988 483 H THR 59 H THR 59 -15.370 -2.340 8.152 484 HA THR 59 HA THR 59 -13.827 -3.023 10.372 485 HB THR 59 HB THR 59 -13.503 -3.610 7.407 486 HG1 THR 59 HG1 THR 59 -15.402 -4.330 8.309 487 1HG2 THR 59 1HG2 THR 59 -12.077 -5.044 9.648 488 2HG2 THR 59 2HG2 THR 59 -12.257 -5.626 7.971 489 3HG2 THR 59 3HG2 THR 59 -11.351 -4.153 8.278 490 H LEU 60 H LEU 60 -12.913 -0.872 7.636 491 HA LEU 60 HA LEU 60 -10.231 -0.411 8.894 492 1HB LEU 60 1HB LEU 60 -11.140 0.227 6.072 493 2HB LEU 60 2HB LEU 60 -9.503 0.314 6.746 494 HG LEU 60 HG LEU 60 -11.118 -2.237 6.310 495 1HD1 LEU 60 1HD1 LEU 60 -9.432 -2.703 4.599 496 2HD1 LEU 60 2HD1 LEU 60 -10.280 -1.183 4.247 497 3HD1 LEU 60 3HD1 LEU 60 -8.634 -1.147 4.923 498 1HD2 LEU 60 1HD2 LEU 60 -8.295 -1.798 7.390 499 2HD2 LEU 60 2HD2 LEU 60 -9.671 -2.468 8.287 500 3HD2 LEU 60 3HD2 LEU 60 -8.981 -3.375 6.935 501 H ASP 61 H ASP 61 -13.273 1.050 8.455 502 HA ASP 61 HA ASP 61 -12.490 3.684 7.900 503 1HB ASP 61 1HB ASP 61 -14.756 2.827 7.511 504 2HB ASP 61 2HB ASP 61 -15.030 2.760 9.265 505 H SER 62 H SER 62 -10.636 3.813 9.477 506 HA SER 62 HA SER 62 -10.760 4.387 12.128 507 1HB SER 62 1HB SER 62 -9.274 6.001 10.012 508 2HB SER 62 2HB SER 62 -8.821 5.829 11.724 509 HG SER 62 HG SER 62 -7.994 4.278 9.850 510 H ASP 63 H ASP 63 -12.116 6.457 9.565 511 HA ASP 63 HA ASP 63 -12.340 8.806 11.305 512 1HB ASP 63 1HB ASP 63 -12.067 8.593 8.695 513 2HB ASP 63 2HB ASP 63 -13.801 8.314 8.694 514 H GLY 64 H GLY 64 -14.188 6.018 10.548 515 1HA GLY 64 1HA GLY 64 -16.295 5.251 11.061 516 2HA GLY 64 2HA GLY 64 -16.209 6.304 12.478 517 H ASP 65 H ASP 65 -16.314 7.191 8.958 518 HA ASP 65 HA ASP 65 -18.771 8.805 9.532 519 1HB ASP 65 1HB ASP 65 -16.702 10.180 9.444 520 2HB ASP 65 2HB ASP 65 -16.408 9.626 7.806 521 H GLY 66 H GLY 66 -18.035 6.029 8.186 522 1HA GLY 66 1HA GLY 66 -19.155 4.778 6.677 523 2HA GLY 66 2HA GLY 66 -20.272 6.124 6.368 524 H GLU 67 H GLU 67 -16.795 6.297 6.073 525 HA GLU 67 HA GLU 67 -16.730 5.872 3.199 526 1HB GLU 67 1HB GLU 67 -15.015 7.874 3.195 527 2HB GLU 67 2HB GLU 67 -16.727 8.255 3.157 528 1HG GLU 67 1HG GLU 67 -15.440 9.670 4.710 529 2HG GLU 67 2HG GLU 67 -16.820 8.864 5.435 530 H CYS 68 H CYS 68 -14.263 5.795 2.567 531 HA CYS 68 HA CYS 68 -12.576 4.924 4.855 532 1HB CYS 68 1HB CYS 68 -13.409 3.133 2.664 533 2HB CYS 68 2HB CYS 68 -11.650 3.281 2.774 534 HG CYS 68 HG CYS 68 -13.546 2.924 5.414 535 H ASP 69 H ASP 69 -10.665 5.823 4.891 536 HA ASP 69 HA ASP 69 -10.218 8.061 3.115 537 1HB ASP 69 1HB ASP 69 -9.774 8.199 5.525 538 2HB ASP 69 2HB ASP 69 -8.528 6.937 5.382 539 H PHE 70 H PHE 70 -8.267 8.340 1.828 540 HA PHE 70 HA PHE 70 -7.555 6.266 0.180 541 1HB PHE 70 1HB PHE 70 -7.043 8.667 -0.203 542 2HB PHE 70 2HB PHE 70 -5.765 8.578 0.998 543 HD1 PHE 70 HD1 PHE 70 -6.921 6.533 -1.954 544 HD2 PHE 70 HD2 PHE 70 -3.581 8.331 0.070 545 HE1 PHE 70 HE1 PHE 70 -5.453 5.869 -3.829 546 HE2 PHE 70 HE2 PHE 70 -2.094 7.588 -1.758 547 HZ PHE 70 HZ PHE 70 -3.030 6.344 -3.719 548 H GLN 71 H GLN 71 -5.985 7.114 3.274 549 HA GLN 71 HA GLN 71 -3.875 5.238 3.260 550 1HB GLN 71 1HB GLN 71 -4.157 6.979 4.940 551 2HB GLN 71 2HB GLN 71 -5.655 6.236 5.530 552 1HG GLN 71 1HG GLN 71 -4.440 4.276 6.325 553 2HG GLN 71 2HG GLN 71 -2.937 4.869 5.577 554 1HE2 GLN 71 2HE2 GLN 71 -2.008 4.657 7.795 555 2HE2 GLN 71 1HE2 GLN 71 -2.300 5.986 8.919 556 H GLU 72 H GLU 72 -7.314 4.801 4.245 557 HA GLU 72 HA GLU 72 -6.915 2.073 5.137 558 1HB GLU 72 1HB GLU 72 -9.510 3.471 4.326 559 2HB GLU 72 2HB GLU 72 -9.351 1.997 5.268 560 1HG GLU 72 1HG GLU 72 -8.626 4.825 6.131 561 2HG GLU 72 2HG GLU 72 -9.875 3.779 6.778 562 H PHE 73 H PHE 73 -8.060 3.628 2.170 563 HA PHE 73 HA PHE 73 -8.644 1.283 0.663 564 1HB PHE 73 1HB PHE 73 -9.325 3.361 -0.149 565 2HB PHE 73 2HB PHE 73 -7.721 4.057 -0.064 566 HD1 PHE 73 HD1 PHE 73 -9.925 1.778 -1.989 567 HD2 PHE 73 HD2 PHE 73 -6.085 3.743 -1.841 568 HE1 PHE 73 HE1 PHE 73 -9.669 1.479 -4.434 569 HE2 PHE 73 HE2 PHE 73 -5.803 3.360 -4.271 570 HZ PHE 73 HZ PHE 73 -7.628 2.290 -5.593 571 H MET 74 H MET 74 -5.492 3.071 0.983 572 HA MET 74 HA MET 74 -4.037 1.204 -0.580 573 1HB MET 74 1HB MET 74 -3.116 3.083 1.621 574 2HB MET 74 2HB MET 74 -2.021 2.098 0.653 575 1HG MET 74 1HG MET 74 -3.867 4.280 -0.383 576 2HG MET 74 2HG MET 74 -2.118 4.340 -0.251 577 1HE MET 74 1HE MET 74 -0.494 2.798 -1.771 578 2HE MET 74 2HE MET 74 -1.432 1.313 -1.466 579 3HE MET 74 3HE MET 74 -1.082 1.819 -3.130 580 H ALA 75 H ALA 75 -4.715 1.224 2.907 581 HA ALA 75 HA ALA 75 -3.206 -1.109 3.551 582 1HB ALA 75 1HB ALA 75 -4.598 -1.289 5.534 583 2HB ALA 75 2HB ALA 75 -4.184 0.412 5.240 584 3HB ALA 75 3HB ALA 75 -5.807 -0.193 4.846 585 H PHE 76 H PHE 76 -6.586 -0.794 2.418 586 HA PHE 76 HA PHE 76 -7.249 -3.579 2.470 587 1HB PHE 76 1HB PHE 76 -8.949 -1.867 2.332 588 2HB PHE 76 2HB PHE 76 -8.308 -1.259 0.825 589 HD1 PHE 76 HD1 PHE 76 -8.776 -2.265 -1.283 590 HD2 PHE 76 HD2 PHE 76 -10.276 -4.022 2.383 591 HE1 PHE 76 HE1 PHE 76 -10.335 -3.658 -2.587 592 HE2 PHE 76 HE2 PHE 76 -11.761 -5.487 1.043 593 HZ PHE 76 HZ PHE 76 -11.765 -5.335 -1.455 594 H VAL 77 H VAL 77 -6.066 -1.483 -0.160 595 HA VAL 77 HA VAL 77 -5.697 -3.399 -2.188 596 HB VAL 77 HB VAL 77 -4.273 -0.829 -1.483 597 1HG1 VAL 77 1HG1 VAL 77 -3.839 -2.555 -3.959 598 2HG1 VAL 77 2HG1 VAL 77 -3.300 -0.873 -3.786 599 3HG1 VAL 77 3HG1 VAL 77 -2.610 -2.123 -2.748 600 1HG2 VAL 77 1HG2 VAL 77 -6.140 -1.548 -3.780 601 2HG2 VAL 77 2HG2 VAL 77 -6.658 -0.733 -2.295 602 3HG2 VAL 77 3HG2 VAL 77 -5.507 0.063 -3.381 603 H ALA 78 H ALA 78 -3.474 -2.506 0.530 604 HA ALA 78 HA ALA 78 -1.314 -4.011 -0.332 605 1HB ALA 78 1HB ALA 78 -2.164 -3.594 2.562 606 2HB ALA 78 2HB ALA 78 -0.553 -4.037 1.996 607 3HB ALA 78 3HB ALA 78 -1.230 -2.450 1.574 608 H MET 79 H MET 79 -3.932 -5.129 1.866 609 HA MET 79 HA MET 79 -2.848 -7.811 1.967 610 1HB MET 79 1HB MET 79 -5.061 -8.455 2.949 611 2HB MET 79 2HB MET 79 -4.063 -7.295 3.832 612 1HG MET 79 1HG MET 79 -5.479 -5.455 3.149 613 2HG MET 79 2HG MET 79 -6.484 -6.540 2.155 614 1HE MET 79 1HE MET 79 -7.350 -4.462 4.596 615 2HE MET 79 2HE MET 79 -8.493 -5.324 3.522 616 3HE MET 79 3HE MET 79 -8.673 -5.429 5.291 617 H ILE 80 H ILE 80 -5.434 -6.329 -0.025 618 HA ILE 80 HA ILE 80 -6.287 -8.716 -1.325 619 HB ILE 80 HB ILE 80 -6.126 -5.819 -2.205 620 1HG1 ILE 80 1HG1 ILE 80 -7.642 -6.562 -0.239 621 2HG1 ILE 80 2HG1 ILE 80 -8.316 -5.569 -1.528 622 1HG2 ILE 80 1HG2 ILE 80 -7.469 -8.113 -3.667 623 2HG2 ILE 80 2HG2 ILE 80 -7.800 -6.390 -3.963 624 3HG2 ILE 80 3HG2 ILE 80 -6.190 -7.041 -4.274 625 1HD1 ILE 80 1HD1 ILE 80 -8.636 -8.593 -1.397 626 2HD1 ILE 80 2HD1 ILE 80 -9.802 -7.416 -0.760 627 3HD1 ILE 80 3HD1 ILE 80 -9.467 -7.463 -2.496 628 H THR 81 H THR 81 -3.754 -6.377 -2.256 629 HA THR 81 HA THR 81 -2.848 -7.746 -4.568 630 HB THR 81 HB THR 81 -1.292 -5.924 -2.689 631 HG1 THR 81 HG1 THR 81 -3.065 -4.852 -3.426 632 1HG2 THR 81 1HG2 THR 81 0.066 -5.398 -4.663 633 2HG2 THR 81 2HG2 THR 81 0.127 -7.156 -4.376 634 3HG2 THR 81 3HG2 THR 81 -0.874 -6.504 -5.661 635 H THR 82 H THR 82 -1.800 -7.945 -1.096 636 HA THR 82 HA THR 82 0.312 -9.792 -1.572 637 HB THR 82 HB THR 82 -1.401 -9.469 0.920 638 HG1 THR 82 HG1 THR 82 -0.326 -7.570 0.269 639 1HG2 THR 82 1HG2 THR 82 0.580 -10.402 2.086 640 2HG2 THR 82 2HG2 THR 82 -0.116 -11.581 0.975 641 3HG2 THR 82 3HG2 THR 82 1.360 -10.708 0.522 642 H ALA 83 H ALA 83 -3.184 -10.432 -0.870 643 HA ALA 83 HA ALA 83 -2.978 -13.267 -0.951 644 1HB ALA 83 1HB ALA 83 -5.375 -13.220 -1.555 645 2HB ALA 83 2HB ALA 83 -5.024 -12.076 -0.239 646 3HB ALA 83 3HB ALA 83 -5.276 -11.487 -1.893 647 H CYS 84 H CYS 84 -3.491 -10.896 -3.602 648 HA CYS 84 HA CYS 84 -3.506 -12.894 -5.649 649 1HB CYS 84 1HB CYS 84 -4.458 -10.757 -6.055 650 2HB CYS 84 2HB CYS 84 -2.884 -9.941 -5.864 651 HG CYS 84 HG CYS 84 -3.732 -10.216 -8.419 652 H HIS 85 H HIS 85 -0.786 -11.206 -4.073 653 HA HIS 85 HA HIS 85 1.195 -12.164 -5.893 654 1HB HIS 85 1HB HIS 85 1.425 -10.305 -4.147 655 2HB HIS 85 2HB HIS 85 1.704 -11.583 -2.962 656 HD1 HIS 85 HD1 HIS 85 3.621 -13.480 -4.737 657 HD2 HIS 85 HD2 HIS 85 3.719 -9.276 -4.649 658 HE1 HIS 85 HE1 HIS 85 5.919 -12.780 -5.578 659 H GLU 86 H GLU 86 -0.173 -13.480 -2.851 660 HA GLU 86 HA GLU 86 1.418 -15.835 -2.698 661 1HB GLU 86 1HB GLU 86 -1.434 -15.263 -1.807 662 2HB GLU 86 2HB GLU 86 -0.606 -16.783 -1.503 663 1HG GLU 86 1HG GLU 86 1.145 -15.672 -0.223 664 2HG GLU 86 2HG GLU 86 0.519 -14.076 -0.652 665 H PHE 87 H PHE 87 -1.757 -15.263 -4.318 666 HA PHE 87 HA PHE 87 -1.942 -17.703 -5.705 667 1HB PHE 87 1HB PHE 87 -3.801 -16.387 -5.975 668 2HB PHE 87 2HB PHE 87 -2.883 -14.939 -6.296 669 HD1 PHE 87 HD1 PHE 87 -3.171 -18.354 -7.901 670 HD2 PHE 87 HD2 PHE 87 -3.020 -14.078 -8.456 671 HE1 PHE 87 HE1 PHE 87 -3.249 -18.669 -10.344 672 HE2 PHE 87 HE2 PHE 87 -3.113 -14.402 -10.907 673 HZ PHE 87 HZ PHE 87 -3.226 -16.700 -11.861 674 H PHE 88 H PHE 88 -0.262 -14.792 -6.768 675 HA PHE 88 HA PHE 88 0.569 -15.719 -9.236 676 1HB PHE 88 1HB PHE 88 0.514 -13.439 -8.263 677 2HB PHE 88 2HB PHE 88 2.082 -13.754 -7.486 678 HD1 PHE 88 HD1 PHE 88 4.120 -14.246 -8.955 679 HD2 PHE 88 HD2 PHE 88 0.393 -12.767 -10.557 680 HE1 PHE 88 HE1 PHE 88 5.282 -13.530 -11.021 681 HE2 PHE 88 HE2 PHE 88 1.585 -11.992 -12.588 682 HZ PHE 88 HZ PHE 88 4.035 -12.352 -12.813 683 H GLU 89 H GLU 89 1.996 -16.540 -6.097 684 HA GLU 89 HA GLU 89 4.518 -17.498 -6.978 685 1HB GLU 89 1HB GLU 89 2.668 -18.835 -4.954 686 2HB GLU 89 2HB GLU 89 4.407 -19.090 -5.129 687 1HG GLU 89 1HG GLU 89 3.016 -16.547 -4.207 688 2HG GLU 89 2HG GLU 89 3.993 -17.636 -3.231 689 H HIS 90 H HIS 90 1.271 -18.858 -7.379 690 HA HIS 90 HA HIS 90 2.365 -20.786 -9.380 691 1HB HIS 90 1HB HIS 90 1.666 -21.983 -7.333 692 2HB HIS 90 2HB HIS 90 0.054 -21.276 -7.481 693 HD1 HIS 90 HD1 HIS 90 -1.123 -21.900 -10.000 694 HD2 HIS 90 HD2 HIS 90 2.091 -24.216 -8.623 695 HE1 HIS 90 HE1 HIS 90 -1.185 -24.109 -11.334 696 H GLU 91 H GLU 91 2.016 -18.638 -10.583 697 HA GLU 91 HA GLU 91 -0.416 -17.525 -11.243 698 1HB GLU 91 1HB GLU 91 1.767 -18.319 -13.229 699 2HB GLU 91 2HB GLU 91 0.462 -17.158 -13.511 700 1HG GLU 91 1HG GLU 91 1.358 -15.794 -11.560 701 2HG GLU 91 2HG GLU 91 2.765 -16.875 -11.545 702 1H SER 1 1H SER 1 -10.650 -1.471 -15.136 703 2H SER 1 2H SER 1 -11.522 -2.596 -14.311 704 3H SER 1 3H SER 1 -10.854 -1.318 -13.502 705 HA SER 1 HA SER 1 -9.638 -3.299 -13.082 706 1HB SER 1 1HB SER 1 -9.345 -3.297 -16.091 707 2HB SER 1 2HB SER 1 -8.504 -4.438 -15.005 708 HG SER 1 HG SER 1 -10.505 -5.185 -14.290 709 H GLU 2 H GLU 2 -9.264 -0.231 -13.912 710 HA GLU 2 HA GLU 2 -6.561 0.124 -14.684 711 1HB GLU 2 1HB GLU 2 -8.152 1.846 -12.717 712 2HB GLU 2 2HB GLU 2 -6.753 2.344 -13.682 713 1HG GLU 2 1HG GLU 2 -9.545 1.631 -14.688 714 2HG GLU 2 2HG GLU 2 -8.789 3.216 -14.653 715 H LEU 3 H LEU 3 -7.974 0.035 -11.400 716 HA LEU 3 HA LEU 3 -5.448 0.038 -10.077 717 1HB LEU 3 1HB LEU 3 -6.675 -0.482 -8.046 718 2HB LEU 3 2HB LEU 3 -7.377 0.839 -8.997 719 HG LEU 3 HG LEU 3 -8.890 -1.229 -9.950 720 1HD1 LEU 3 1HD1 LEU 3 -8.351 -1.940 -7.036 721 2HD1 LEU 3 2HD1 LEU 3 -9.543 -2.684 -8.123 722 3HD1 LEU 3 3HD1 LEU 3 -7.814 -2.907 -8.423 723 1HD2 LEU 3 1HD2 LEU 3 -10.559 -0.474 -8.202 724 2HD2 LEU 3 2HD2 LEU 3 -9.264 0.471 -7.453 725 3HD2 LEU 3 3HD2 LEU 3 -9.784 0.839 -9.119 726 H GLU 4 H GLU 4 -7.444 -2.626 -11.359 727 HA GLU 4 HA GLU 4 -5.994 -4.745 -10.077 728 1HB GLU 4 1HB GLU 4 -7.463 -4.728 -12.737 729 2HB GLU 4 2HB GLU 4 -6.862 -6.157 -11.900 730 1HG GLU 4 1HG GLU 4 -8.289 -5.671 -9.948 731 2HG GLU 4 2HG GLU 4 -8.904 -4.213 -10.730 732 H LYS 5 H LYS 5 -5.504 -2.919 -13.109 733 HA LYS 5 HA LYS 5 -3.308 -4.426 -14.118 734 1HB LYS 5 1HB LYS 5 -4.754 -2.728 -15.320 735 2HB LYS 5 2HB LYS 5 -3.793 -1.456 -14.569 736 1HG LYS 5 1HG LYS 5 -2.747 -3.672 -16.391 737 2HG LYS 5 2HG LYS 5 -3.118 -2.011 -16.870 738 1HD LYS 5 1HD LYS 5 -1.389 -1.241 -15.129 739 2HD LYS 5 2HD LYS 5 -0.860 -2.934 -15.046 740 1HE LYS 5 1HE LYS 5 -0.903 -1.215 -17.560 741 2HE LYS 5 2HE LYS 5 0.522 -1.630 -16.594 742 1HZ LYS 5 1HZ LYS 5 0.119 -3.933 -17.091 743 2HZ LYS 5 2HZ LYS 5 -1.188 -3.543 -18.017 744 3HZ LYS 5 3HZ LYS 5 0.318 -3.055 -18.471 745 H ALA 6 H ALA 6 -3.479 -1.374 -12.243 746 HA ALA 6 HA ALA 6 -0.760 -0.964 -11.719 747 1HB ALA 6 1HB ALA 6 -1.579 0.277 -9.708 748 2HB ALA 6 2HB ALA 6 -2.543 0.627 -11.161 749 3HB ALA 6 3HB ALA 6 -3.169 -0.467 -9.920 750 H VAL 7 H VAL 7 -3.082 -2.794 -9.708 751 HA VAL 7 HA VAL 7 -1.374 -3.736 -7.712 752 HB VAL 7 HB VAL 7 -3.969 -4.650 -8.945 753 1HG1 VAL 7 1HG1 VAL 7 -2.992 -6.767 -8.205 754 2HG1 VAL 7 2HG1 VAL 7 -2.715 -6.056 -6.597 755 3HG1 VAL 7 3HG1 VAL 7 -4.358 -6.243 -7.205 756 1HG2 VAL 7 1HG2 VAL 7 -4.886 -3.884 -6.823 757 2HG2 VAL 7 2HG2 VAL 7 -3.258 -3.682 -6.146 758 3HG2 VAL 7 3HG2 VAL 7 -3.812 -2.610 -7.430 759 H VAL 8 H VAL 8 -2.235 -5.513 -10.802 760 HA VAL 8 HA VAL 8 -0.375 -7.598 -10.124 761 HB VAL 8 HB VAL 8 -0.560 -8.441 -12.340 762 1HG1 VAL 8 1HG1 VAL 8 -3.270 -7.569 -11.262 763 2HG1 VAL 8 2HG1 VAL 8 -2.947 -8.942 -12.334 764 3HG1 VAL 8 3HG1 VAL 8 -2.310 -8.945 -10.680 765 1HG2 VAL 8 1HG2 VAL 8 -0.619 -6.352 -13.670 766 2HG2 VAL 8 2HG2 VAL 8 -1.957 -7.443 -14.066 767 3HG2 VAL 8 3HG2 VAL 8 -2.248 -6.034 -13.042 768 H ALA 9 H ALA 9 0.070 -4.477 -11.813 769 HA ALA 9 HA ALA 9 2.721 -5.032 -12.705 770 1HB ALA 9 1HB ALA 9 1.658 -2.320 -11.833 771 2HB ALA 9 2HB ALA 9 3.043 -2.672 -12.870 772 3HB ALA 9 3HB ALA 9 1.405 -3.058 -13.430 773 H LEU 10 H LEU 10 1.535 -3.709 -9.549 774 HA LEU 10 HA LEU 10 4.085 -3.396 -8.319 775 1HB LEU 10 1HB LEU 10 1.569 -4.411 -6.928 776 2HB LEU 10 2HB LEU 10 2.982 -3.687 -6.174 777 HG LEU 10 HG LEU 10 0.960 -2.267 -7.942 778 1HD1 LEU 10 1HD1 LEU 10 1.554 -2.054 -4.977 779 2HD1 LEU 10 2HD1 LEU 10 0.346 -1.113 -5.877 780 3HD1 LEU 10 3HD1 LEU 10 0.145 -2.865 -5.697 781 1HD2 LEU 10 1HD2 LEU 10 3.374 -1.132 -6.486 782 2HD2 LEU 10 2HD2 LEU 10 3.166 -1.230 -8.260 783 3HD2 LEU 10 3HD2 LEU 10 2.114 -0.184 -7.300 784 H ILE 11 H ILE 11 1.922 -6.260 -8.360 785 HA ILE 11 HA ILE 11 3.629 -7.985 -6.882 786 HB ILE 11 HB ILE 11 1.544 -8.541 -9.027 787 1HG1 ILE 11 1HG1 ILE 11 1.474 -8.831 -5.989 788 2HG1 ILE 11 2HG1 ILE 11 0.866 -7.432 -6.875 789 1HG2 ILE 11 1HG2 ILE 11 1.513 -10.892 -8.234 790 2HG2 ILE 11 2HG2 ILE 11 3.044 -10.491 -8.981 791 3HG2 ILE 11 3HG2 ILE 11 2.926 -10.562 -7.215 792 1HD1 ILE 11 1HD1 ILE 11 -0.717 -8.926 -8.117 793 2HD1 ILE 11 2HD1 ILE 11 -0.226 -10.257 -7.042 794 3HD1 ILE 11 3HD1 ILE 11 -0.995 -8.813 -6.372 795 H ASP 12 H ASP 12 3.332 -7.605 -10.452 796 HA ASP 12 HA ASP 12 5.211 -9.595 -11.062 797 1HB ASP 12 1HB ASP 12 3.619 -8.728 -12.702 798 2HB ASP 12 2HB ASP 12 4.404 -7.141 -12.677 799 H VAL 13 H VAL 13 5.663 -6.034 -10.856 800 HA VAL 13 HA VAL 13 8.443 -5.968 -11.441 801 HB VAL 13 HB VAL 13 6.639 -4.172 -9.755 802 1HG1 VAL 13 1HG1 VAL 13 8.434 -2.467 -9.967 803 2HG1 VAL 13 2HG1 VAL 13 8.928 -3.811 -8.934 804 3HG1 VAL 13 3HG1 VAL 13 9.525 -3.711 -10.609 805 1HG2 VAL 13 1HG2 VAL 13 7.918 -3.801 -12.505 806 2HG2 VAL 13 2HG2 VAL 13 6.239 -4.309 -12.259 807 3HG2 VAL 13 3HG2 VAL 13 6.764 -2.710 -11.705 808 H PHE 14 H PHE 14 6.733 -6.177 -8.254 809 HA PHE 14 HA PHE 14 9.077 -6.283 -6.696 810 1HB PHE 14 1HB PHE 14 6.810 -5.969 -5.795 811 2HB PHE 14 2HB PHE 14 6.404 -7.639 -6.183 812 HD1 PHE 14 HD1 PHE 14 7.594 -9.556 -5.022 813 HD2 PHE 14 HD2 PHE 14 8.190 -5.446 -3.845 814 HE1 PHE 14 HE1 PHE 14 8.579 -10.283 -2.908 815 HE2 PHE 14 HE2 PHE 14 8.903 -6.224 -1.591 816 HZ PHE 14 HZ PHE 14 8.923 -8.650 -1.053 817 H HIS 15 H HIS 15 7.157 -9.046 -8.029 818 HA HIS 15 HA HIS 15 8.811 -11.041 -6.960 819 1HB HIS 15 1HB HIS 15 7.348 -12.422 -7.802 820 2HB HIS 15 2HB HIS 15 6.463 -11.052 -8.437 821 HD1 HIS 15 HD1 HIS 15 7.300 -10.424 -11.141 822 HD2 HIS 15 HD2 HIS 15 8.256 -14.171 -9.477 823 HE1 HIS 15 HE1 HIS 15 7.882 -11.964 -13.089 824 H GLN 16 H GLN 16 9.073 -9.275 -10.060 825 HA GLN 16 HA GLN 16 11.096 -10.774 -11.271 826 1HB GLN 16 1HB GLN 16 9.879 -8.925 -12.356 827 2HB GLN 16 2HB GLN 16 10.692 -7.762 -11.300 828 1HG GLN 16 1HG GLN 16 12.898 -8.432 -12.289 829 2HG GLN 16 2HG GLN 16 12.038 -9.549 -13.362 830 1HE2 GLN 16 1HE2 GLN 16 11.634 -6.093 -12.285 831 2HE2 GLN 16 2HE2 GLN 16 11.446 -5.478 -13.919 832 H TYR 17 H TYR 17 11.473 -8.018 -8.970 833 HA TYR 17 HA TYR 17 14.371 -8.358 -8.843 834 1HB TYR 17 1HB TYR 17 12.413 -6.768 -7.163 835 2HB TYR 17 2HB TYR 17 14.157 -6.756 -6.918 836 HD1 TYR 17 HD1 TYR 17 11.478 -5.210 -8.732 837 HD2 TYR 17 HD2 TYR 17 15.685 -6.128 -8.904 838 HE1 TYR 17 HE1 TYR 17 11.803 -3.412 -10.412 839 HE2 TYR 17 HE2 TYR 17 16.000 -4.334 -10.585 840 HH TYR 17 HH TYR 17 13.366 -2.178 -11.679 841 H SER 18 H SER 18 11.678 -9.231 -6.687 842 HA SER 18 HA SER 18 13.239 -10.271 -4.568 843 1HB SER 18 1HB SER 18 10.907 -9.566 -4.329 844 2HB SER 18 2HB SER 18 10.374 -10.905 -5.357 845 HG SER 18 HG SER 18 11.971 -11.366 -3.079 846 H GLY 19 H GLY 19 12.448 -11.758 -7.668 847 1HA GLY 19 1HA GLY 19 12.875 -14.494 -6.841 848 2HA GLY 19 2HA GLY 19 12.909 -13.826 -8.480 849 H ARG 20 H ARG 20 15.005 -11.735 -7.480 850 HA ARG 20 HA ARG 20 17.160 -13.352 -8.554 851 1HB ARG 20 1HB ARG 20 17.290 -10.487 -7.600 852 2HB ARG 20 2HB ARG 20 18.355 -11.315 -8.745 853 1HG ARG 20 1HG ARG 20 16.257 -11.609 -10.236 854 2HG ARG 20 2HG ARG 20 15.414 -10.596 -9.107 855 1HD ARG 20 1HD ARG 20 16.156 -9.294 -11.012 856 2HD ARG 20 2HD ARG 20 16.772 -8.681 -9.490 857 HE ARG 20 HE ARG 20 18.275 -10.139 -11.623 858 1HH1 ARG 20 2HH1 ARG 20 18.480 -8.345 -8.533 859 2HH1 ARG 20 1HH1 ARG 20 20.116 -7.854 -8.800 860 1HH2 ARG 20 1HH2 ARG 20 20.449 -9.593 -11.873 861 2HH2 ARG 20 2HH2 ARG 20 21.287 -8.665 -10.658 862 H GLU 21 H GLU 21 16.765 -11.463 -5.504 863 HA GLU 21 HA GLU 21 18.368 -13.511 -4.100 864 1HB GLU 21 1HB GLU 21 19.011 -10.558 -3.805 865 2HB GLU 21 2HB GLU 21 19.704 -11.901 -2.898 866 1HG GLU 21 1HG GLU 21 20.662 -12.824 -5.009 867 2HG GLU 21 2HG GLU 21 19.995 -11.451 -5.909 868 H GLY 22 H GLY 22 16.719 -14.262 -2.930 869 1HA GLY 22 1HA GLY 22 15.502 -13.414 -0.713 870 2HA GLY 22 2HA GLY 22 14.608 -12.520 -1.975 871 H ASP 23 H ASP 23 12.697 -13.805 -1.828 872 HA ASP 23 HA ASP 23 12.836 -16.416 -3.195 873 1HB ASP 23 1HB ASP 23 11.730 -16.128 -0.361 874 2HB ASP 23 2HB ASP 23 11.484 -17.529 -1.410 875 H LYS 24 H LYS 24 11.891 -14.103 -4.265 876 HA LYS 24 HA LYS 24 10.167 -13.431 -5.526 877 1HB LYS 24 1HB LYS 24 8.647 -15.866 -4.540 878 2HB LYS 24 2HB LYS 24 8.157 -14.772 -5.826 879 1HG LYS 24 1HG LYS 24 10.134 -15.365 -7.174 880 2HG LYS 24 2HG LYS 24 10.782 -16.307 -5.829 881 1HD LYS 24 1HD LYS 24 9.941 -17.964 -7.159 882 2HD LYS 24 2HD LYS 24 8.643 -17.758 -5.986 883 1HE LYS 24 1HE LYS 24 8.717 -16.618 -8.835 884 2HE LYS 24 2HE LYS 24 7.842 -18.063 -8.310 885 1HZ LYS 24 1HZ LYS 24 6.610 -16.630 -6.784 886 2HZ LYS 24 2HZ LYS 24 7.294 -15.311 -7.501 887 3HZ LYS 24 3HZ LYS 24 6.338 -16.318 -8.385 888 H HIS 25 H HIS 25 9.157 -14.182 -2.200 889 HA HIS 25 HA HIS 25 7.255 -11.891 -2.221 890 1HB HIS 25 1HB HIS 25 6.649 -14.325 -1.636 891 2HB HIS 25 2HB HIS 25 7.501 -14.039 -0.119 892 HD1 HIS 25 HD1 HIS 25 6.108 -12.611 1.685 893 HD2 HIS 25 HD2 HIS 25 4.381 -12.952 -2.140 894 HE1 HIS 25 HE1 HIS 25 3.678 -11.862 1.903 895 H LYS 26 H LYS 26 10.405 -11.954 -1.822 896 HA LYS 26 HA LYS 26 10.622 -10.471 0.753 897 1HB LYS 26 1HB LYS 26 12.281 -12.885 -0.081 898 2HB LYS 26 2HB LYS 26 12.641 -11.861 1.285 899 1HG LYS 26 1HG LYS 26 10.171 -13.647 0.939 900 2HG LYS 26 2HG LYS 26 11.612 -14.029 1.876 901 1HD LYS 26 1HD LYS 26 9.599 -11.841 2.493 902 2HD LYS 26 2HD LYS 26 9.858 -13.338 3.381 903 1HE LYS 26 1HE LYS 26 12.195 -12.631 3.901 904 2HE LYS 26 2HE LYS 26 11.881 -11.060 3.117 905 1HZ LYS 26 1HZ LYS 26 10.517 -12.083 5.476 906 2HZ LYS 26 2HZ LYS 26 11.637 -10.864 5.392 907 3HZ LYS 26 3HZ LYS 26 10.166 -10.671 4.690 908 H LEU 27 H LEU 27 11.745 -8.554 0.199 909 HA LEU 27 HA LEU 27 13.758 -8.675 -2.044 910 1HB LEU 27 1HB LEU 27 12.477 -6.360 -0.572 911 2HB LEU 27 2HB LEU 27 13.838 -6.182 -1.683 912 HG LEU 27 HG LEU 27 11.169 -7.341 -2.510 913 1HD1 LEU 27 1HD1 LEU 27 11.010 -4.947 -1.750 914 2HD1 LEU 27 2HD1 LEU 27 12.349 -4.545 -2.846 915 3HD1 LEU 27 3HD1 LEU 27 10.788 -5.078 -3.506 916 1HD2 LEU 27 1HD2 LEU 27 13.472 -6.240 -4.180 917 2HD2 LEU 27 2HD2 LEU 27 13.032 -7.957 -4.043 918 3HD2 LEU 27 3HD2 LEU 27 11.905 -6.811 -4.787 919 H LYS 28 H LYS 28 15.808 -9.174 -1.382 920 HA LYS 28 HA LYS 28 16.754 -8.362 1.282 921 1HB LYS 28 1HB LYS 28 17.349 -10.527 0.191 922 2HB LYS 28 2HB LYS 28 18.288 -9.639 -1.017 923 1HG LYS 28 1HG LYS 28 19.939 -9.050 0.508 924 2HG LYS 28 2HG LYS 28 18.835 -9.080 1.910 925 1HD LYS 28 1HD LYS 28 18.699 -11.481 1.899 926 2HD LYS 28 2HD LYS 28 19.736 -11.587 0.454 927 1HE LYS 28 1HE LYS 28 21.600 -10.540 1.735 928 2HE LYS 28 2HE LYS 28 20.549 -10.412 3.162 929 1HZ LYS 28 1HZ LYS 28 21.356 -12.913 1.855 930 2HZ LYS 28 2HZ LYS 28 21.951 -12.322 3.274 931 3HZ LYS 28 3HZ LYS 28 20.374 -12.788 3.173 932 H LYS 29 H LYS 29 18.710 -6.980 1.497 933 HA LYS 29 HA LYS 29 18.132 -4.454 0.616 934 1HB LYS 29 1HB LYS 29 20.250 -3.742 1.524 935 2HB LYS 29 2HB LYS 29 19.457 -4.907 2.573 936 1HG LYS 29 1HG LYS 29 20.970 -6.697 1.753 937 2HG LYS 29 2HG LYS 29 21.771 -5.529 0.678 938 1HD LYS 29 1HD LYS 29 22.359 -4.127 2.655 939 2HD LYS 29 2HD LYS 29 21.647 -5.341 3.727 940 1HE LYS 29 1HE LYS 29 23.995 -5.794 1.812 941 2HE LYS 29 2HE LYS 29 24.123 -5.527 3.554 942 1HZ LYS 29 1HZ LYS 29 24.221 -7.830 3.043 943 2HZ LYS 29 2HZ LYS 29 22.847 -7.521 3.899 944 3HZ LYS 29 3HZ LYS 29 22.765 -7.793 2.275 945 H SER 30 H SER 30 20.315 -6.650 -1.131 946 HA SER 30 HA SER 30 21.370 -4.802 -3.000 947 1HB SER 30 1HB SER 30 21.209 -7.133 -4.359 948 2HB SER 30 2HB SER 30 22.357 -6.917 -3.024 949 HG SER 30 HG SER 30 21.031 -8.844 -2.860 950 H GLU 31 H GLU 31 18.347 -6.750 -2.896 951 HA GLU 31 HA GLU 31 17.548 -5.948 -5.581 952 1HB GLU 31 1HB GLU 31 15.893 -7.363 -3.450 953 2HB GLU 31 2HB GLU 31 15.603 -7.291 -5.196 954 1HG GLU 31 1HG GLU 31 17.836 -8.715 -3.732 955 2HG GLU 31 2HG GLU 31 16.564 -9.430 -4.733 956 H LEU 32 H LEU 32 16.609 -5.235 -2.248 957 HA LEU 32 HA LEU 32 14.449 -3.526 -2.698 958 1HB LEU 32 1HB LEU 32 15.223 -4.534 -0.545 959 2HB LEU 32 2HB LEU 32 16.581 -3.396 -0.523 960 HG LEU 32 HG LEU 32 14.665 -2.923 0.998 961 1HD1 LEU 32 1HD1 LEU 32 14.701 -0.536 0.745 962 2HD1 LEU 32 2HD1 LEU 32 16.311 -1.194 0.417 963 3HD1 LEU 32 3HD1 LEU 32 15.277 -0.655 -0.921 964 1HD2 LEU 32 1HD2 LEU 32 12.627 -1.938 0.212 965 2HD2 LEU 32 2HD2 LEU 32 13.154 -2.045 -1.476 966 3HD2 LEU 32 3HD2 LEU 32 12.831 -3.526 -0.544 967 H LYS 33 H LYS 33 17.972 -2.752 -2.403 968 HA LYS 33 HA LYS 33 17.760 0.021 -2.804 969 1HB LYS 33 1HB LYS 33 19.751 -0.966 -2.045 970 2HB LYS 33 2HB LYS 33 19.936 -2.007 -3.442 971 1HG LYS 33 1HG LYS 33 20.415 -0.031 -4.872 972 2HG LYS 33 2HG LYS 33 20.008 1.053 -3.528 973 1HD LYS 33 1HD LYS 33 21.941 0.149 -2.234 974 2HD LYS 33 2HD LYS 33 22.361 -0.888 -3.610 975 1HE LYS 33 1HE LYS 33 22.759 1.072 -5.027 976 2HE LYS 33 2HE LYS 33 22.132 2.161 -3.778 977 1HZ LYS 33 1HZ LYS 33 23.942 1.596 -2.387 978 2HZ LYS 33 2HZ LYS 33 24.540 0.518 -3.489 979 3HZ LYS 33 3HZ LYS 33 24.502 2.131 -3.830 980 H GLU 34 H GLU 34 18.502 -2.467 -5.361 981 HA GLU 34 HA GLU 34 18.443 -0.447 -7.383 982 1HB GLU 34 1HB GLU 34 18.459 -2.286 -9.021 983 2HB GLU 34 2HB GLU 34 19.646 -2.540 -7.734 984 1HG GLU 34 1HG GLU 34 18.045 -4.091 -6.618 985 2HG GLU 34 2HG GLU 34 16.940 -3.932 -7.986 986 H LEU 35 H LEU 35 15.920 -2.672 -6.223 987 HA LEU 35 HA LEU 35 13.829 -2.067 -7.983 988 1HB LEU 35 1HB LEU 35 13.722 -3.849 -6.436 989 2HB LEU 35 2HB LEU 35 13.995 -2.797 -5.055 990 HG LEU 35 HG LEU 35 11.721 -3.870 -5.442 991 1HD1 LEU 35 1HD1 LEU 35 10.640 -2.197 -4.173 992 2HD1 LEU 35 2HD1 LEU 35 12.331 -2.165 -3.697 993 3HD1 LEU 35 3HD1 LEU 35 11.687 -0.910 -4.782 994 1HD2 LEU 35 1HD2 LEU 35 10.080 -2.790 -6.712 995 2HD2 LEU 35 2HD2 LEU 35 11.110 -1.388 -7.051 996 3HD2 LEU 35 3HD2 LEU 35 11.454 -2.949 -7.816 997 H ILE 36 H ILE 36 14.586 -0.361 -4.817 998 HA ILE 36 HA ILE 36 12.486 1.521 -5.359 999 HB ILE 36 HB ILE 36 14.783 1.816 -3.411 1000 1HG1 ILE 36 1HG1 ILE 36 11.884 0.878 -3.058 1001 2HG1 ILE 36 2HG1 ILE 36 13.319 -0.135 -2.929 1002 1HG2 ILE 36 1HG2 ILE 36 13.415 3.582 -2.396 1003 2HG2 ILE 36 2HG2 ILE 36 13.566 3.991 -4.099 1004 3HG2 ILE 36 3HG2 ILE 36 12.082 3.239 -3.513 1005 1HD1 ILE 36 1HD1 ILE 36 12.644 0.371 -0.706 1006 2HD1 ILE 36 2HD1 ILE 36 14.095 1.352 -1.015 1007 3HD1 ILE 36 3HD1 ILE 36 12.482 2.091 -1.043 1008 H ASN 37 H ASN 37 16.045 1.715 -5.937 1009 HA ASN 37 HA ASN 37 16.054 4.441 -6.833 1010 1HB ASN 37 1HB ASN 37 17.792 2.055 -7.604 1011 2HB ASN 37 2HB ASN 37 18.007 3.670 -8.307 1012 1HD2 ASN 37 2HD2 ASN 37 18.049 1.913 -5.209 1013 2HD2 ASN 37 1HD2 ASN 37 19.205 3.001 -4.452 1014 H ASN 38 H ASN 38 15.672 1.413 -8.645 1015 HA ASN 38 HA ASN 38 15.446 2.499 -11.241 1016 1HB ASN 38 1HB ASN 38 15.966 0.134 -10.706 1017 2HB ASN 38 2HB ASN 38 14.321 -0.086 -10.065 1018 1HD2 ASN 38 2HD2 ASN 38 16.261 0.477 -12.968 1019 2HD2 ASN 38 1HD2 ASN 38 15.026 -0.052 -14.104 1020 H GLU 39 H GLU 39 12.933 1.527 -8.852 1021 HA GLU 39 HA GLU 39 10.847 2.249 -10.756 1022 1HB GLU 39 1HB GLU 39 10.778 1.090 -7.962 1023 2HB GLU 39 2HB GLU 39 9.360 1.418 -8.950 1024 1HG GLU 39 1HG GLU 39 11.649 -0.414 -9.832 1025 2HG GLU 39 2HG GLU 39 10.154 -0.973 -9.082 1026 H LEU 40 H LEU 40 11.974 3.577 -7.608 1027 HA LEU 40 HA LEU 40 9.939 5.742 -7.824 1028 1HB LEU 40 1HB LEU 40 11.792 4.868 -5.588 1029 2HB LEU 40 2HB LEU 40 11.025 6.444 -5.610 1030 HG LEU 40 HG LEU 40 8.794 5.398 -5.817 1031 1HD1 LEU 40 1HD1 LEU 40 10.341 2.847 -5.160 1032 2HD1 LEU 40 2HD1 LEU 40 8.583 3.029 -5.006 1033 3HD1 LEU 40 3HD1 LEU 40 9.332 3.134 -6.599 1034 1HD2 LEU 40 1HD2 LEU 40 9.461 6.276 -3.725 1035 2HD2 LEU 40 2HD2 LEU 40 8.795 4.674 -3.370 1036 3HD2 LEU 40 3HD2 LEU 40 10.549 4.917 -3.389 1037 H SER 41 H SER 41 11.516 5.811 -9.972 1038 HA SER 41 HA SER 41 14.125 6.888 -9.678 1039 1HB SER 41 1HB SER 41 13.703 7.230 -12.225 1040 2HB SER 41 2HB SER 41 13.622 5.587 -11.564 1041 HG SER 41 HG SER 41 11.751 5.747 -12.680 1042 H HIS 42 H HIS 42 10.978 8.399 -9.863 1043 HA HIS 42 HA HIS 42 12.248 11.123 -9.924 1044 1HB HIS 42 1HB HIS 42 9.357 10.335 -10.408 1045 2HB HIS 42 2HB HIS 42 10.051 11.958 -10.514 1046 HD1 HIS 42 HD1 HIS 42 12.709 10.301 -12.063 1047 HD2 HIS 42 HD2 HIS 42 8.654 10.777 -13.093 1048 HE1 HIS 42 HE1 HIS 42 12.545 9.948 -14.594 1049 H PHE 43 H PHE 43 10.016 8.982 -8.220 1050 HA PHE 43 HA PHE 43 9.152 10.722 -6.199 1051 1HB PHE 43 1HB PHE 43 9.361 7.740 -6.519 1052 2HB PHE 43 2HB PHE 43 9.028 8.382 -4.925 1053 HD1 PHE 43 HD1 PHE 43 7.656 9.938 -8.089 1054 HD2 PHE 43 HD2 PHE 43 6.919 7.317 -4.753 1055 HE1 PHE 43 HE1 PHE 43 5.277 9.821 -8.696 1056 HE2 PHE 43 HE2 PHE 43 4.470 7.450 -5.190 1057 HZ PHE 43 HZ PHE 43 3.692 8.491 -7.320 1058 H LEU 44 H LEU 44 12.057 8.544 -6.141 1059 HA LEU 44 HA LEU 44 13.041 10.132 -3.817 1060 1HB LEU 44 1HB LEU 44 12.876 7.185 -4.195 1061 2HB LEU 44 2HB LEU 44 14.481 7.774 -3.786 1062 HG LEU 44 HG LEU 44 13.488 9.066 -1.869 1063 1HD1 LEU 44 1HD1 LEU 44 11.101 9.070 -2.554 1064 2HD1 LEU 44 2HD1 LEU 44 11.066 7.300 -2.416 1065 3HD1 LEU 44 3HD1 LEU 44 11.311 8.305 -0.975 1066 1HD2 LEU 44 1HD2 LEU 44 13.347 7.077 -0.406 1067 2HD2 LEU 44 2HD2 LEU 44 14.695 6.955 -1.546 1068 3HD2 LEU 44 3HD2 LEU 44 13.201 6.036 -1.838 1069 H GLU 45 H GLU 45 15.307 10.370 -3.678 1070 HA GLU 45 HA GLU 45 16.654 10.772 -6.274 1071 1HB GLU 45 1HB GLU 45 16.769 12.545 -4.575 1072 2HB GLU 45 2HB GLU 45 17.415 11.410 -3.386 1073 1HG GLU 45 1HG GLU 45 19.145 12.881 -4.267 1074 2HG GLU 45 2HG GLU 45 19.508 11.202 -4.640 1075 H GLU 46 H GLU 46 18.815 9.818 -6.548 1076 HA GLU 46 HA GLU 46 18.899 7.067 -6.357 1077 1HB GLU 46 1HB GLU 46 20.325 8.314 -7.888 1078 2HB GLU 46 2HB GLU 46 21.148 9.133 -6.545 1079 1HG GLU 46 1HG GLU 46 22.180 7.037 -5.821 1080 2HG GLU 46 2HG GLU 46 21.298 6.136 -7.076 1081 H ILE 47 H ILE 47 19.142 5.695 -4.753 1082 HA ILE 47 HA ILE 47 19.673 6.752 -2.071 1083 HB ILE 47 HB ILE 47 18.751 3.947 -2.674 1084 1HG1 ILE 47 1HG1 ILE 47 17.063 6.481 -2.493 1085 2HG1 ILE 47 2HG1 ILE 47 17.308 5.545 -3.986 1086 1HG2 ILE 47 1HG2 ILE 47 18.119 5.896 -0.406 1087 2HG2 ILE 47 2HG2 ILE 47 17.790 4.156 -0.446 1088 3HG2 ILE 47 3HG2 ILE 47 19.457 4.743 -0.329 1089 1HD1 ILE 47 1HD1 ILE 47 15.231 5.043 -3.148 1090 2HD1 ILE 47 2HD1 ILE 47 16.270 3.602 -3.042 1091 3HD1 ILE 47 3HD1 ILE 47 15.849 4.523 -1.564 1092 H LYS 48 H LYS 48 21.882 7.052 -2.990 1093 HA LYS 48 HA LYS 48 23.715 5.158 -3.709 1094 1HB LYS 48 1HB LYS 48 23.986 7.600 -3.777 1095 2HB LYS 48 2HB LYS 48 24.130 7.640 -2.007 1096 1HG LYS 48 1HG LYS 48 26.253 6.436 -2.106 1097 2HG LYS 48 2HG LYS 48 26.055 6.160 -3.842 1098 1HD LYS 48 1HD LYS 48 27.653 7.955 -3.363 1099 2HD LYS 48 2HD LYS 48 26.297 8.545 -4.322 1100 1HE LYS 48 1HE LYS 48 26.283 8.834 -1.286 1101 2HE LYS 48 2HE LYS 48 27.211 9.954 -2.292 1102 1HZ LYS 48 1HZ LYS 48 25.032 10.778 -1.830 1103 2HZ LYS 48 2HZ LYS 48 25.255 10.552 -3.447 1104 3HZ LYS 48 3HZ LYS 48 24.331 9.500 -2.585 1105 H GLU 49 H GLU 49 23.195 6.264 -0.359 1106 HA GLU 49 HA GLU 49 25.335 4.697 0.704 1107 1HB GLU 49 1HB GLU 49 24.730 6.839 1.626 1108 2HB GLU 49 2HB GLU 49 23.093 6.279 2.004 1109 1HG GLU 49 1HG GLU 49 24.555 6.415 3.989 1110 2HG GLU 49 2HG GLU 49 23.909 4.800 3.705 1111 H GLN 50 H GLN 50 25.183 2.512 0.586 1112 HA GLN 50 HA GLN 50 22.929 0.908 0.772 1113 1HB GLN 50 1HB GLN 50 25.263 0.257 0.065 1114 2HB GLN 50 2HB GLN 50 25.658 0.070 1.784 1115 1HG GLN 50 1HG GLN 50 23.751 -1.587 1.972 1116 2HG GLN 50 2HG GLN 50 23.473 -1.429 0.232 1117 1HE2 GLN 50 2HE2 GLN 50 25.801 -1.635 -1.028 1118 2HE2 GLN 50 1HE2 GLN 50 26.647 -3.100 -0.564 1119 H GLU 51 H GLU 51 24.792 2.366 3.459 1120 HA GLU 51 HA GLU 51 23.678 0.824 5.570 1121 1HB GLU 51 1HB GLU 51 25.542 2.510 5.768 1122 2HB GLU 51 2HB GLU 51 24.332 3.800 5.628 1123 1HG GLU 51 1HG GLU 51 23.201 2.948 7.680 1124 2HG GLU 51 2HG GLU 51 24.442 1.692 7.818 1125 H VAL 52 H VAL 52 22.325 3.533 3.647 1126 HA VAL 52 HA VAL 52 20.048 3.816 5.437 1127 HB VAL 52 HB VAL 52 20.620 5.127 2.773 1128 1HG1 VAL 52 1HG1 VAL 52 18.358 5.411 4.803 1129 2HG1 VAL 52 2HG1 VAL 52 18.753 6.676 3.638 1130 3HG1 VAL 52 3HG1 VAL 52 18.220 5.089 3.060 1131 1HG2 VAL 52 1HG2 VAL 52 22.140 5.827 4.630 1132 2HG2 VAL 52 2HG2 VAL 52 20.991 7.109 4.242 1133 3HG2 VAL 52 3HG2 VAL 52 20.743 6.101 5.675 1134 H VAL 53 H VAL 53 20.710 2.254 2.194 1135 HA VAL 53 HA VAL 53 18.018 1.549 1.801 1136 HB VAL 53 HB VAL 53 18.587 0.197 0.153 1137 1HG1 VAL 53 1HG1 VAL 53 20.236 1.276 -1.180 1138 2HG1 VAL 53 2HG1 VAL 53 19.394 2.466 -0.197 1139 3HG1 VAL 53 3HG1 VAL 53 21.038 1.967 0.232 1140 1HG2 VAL 53 1HG2 VAL 53 20.809 -0.951 -0.199 1141 2HG2 VAL 53 2HG2 VAL 53 21.195 -0.563 1.456 1142 3HG2 VAL 53 3HG2 VAL 53 19.791 -1.573 1.101 1143 H ASP 54 H ASP 54 20.623 -0.140 3.583 1144 HA ASP 54 HA ASP 54 19.105 -2.325 4.535 1145 1HB ASP 54 1HB ASP 54 21.541 -2.158 4.760 1146 2HB ASP 54 2HB ASP 54 21.360 -0.861 5.953 1147 H LYS 55 H LYS 55 19.618 0.955 6.018 1148 HA LYS 55 HA LYS 55 18.084 0.498 8.302 1149 1HB LYS 55 1HB LYS 55 19.567 2.382 8.037 1150 2HB LYS 55 2HB LYS 55 18.515 3.105 6.813 1151 1HG LYS 55 1HG LYS 55 17.351 2.508 9.541 1152 2HG LYS 55 2HG LYS 55 18.467 3.869 9.344 1153 1HD LYS 55 1HD LYS 55 17.049 4.764 7.489 1154 2HD LYS 55 2HD LYS 55 15.842 3.516 7.822 1155 1HE LYS 55 1HE LYS 55 15.578 4.336 10.129 1156 2HE LYS 55 2HE LYS 55 16.799 5.592 9.830 1157 1HZ LYS 55 1HZ LYS 55 15.385 6.461 8.110 1158 2HZ LYS 55 2HZ LYS 55 14.242 5.309 8.419 1159 3HZ LYS 55 3HZ LYS 55 14.603 6.437 9.564 1160 H VAL 56 H VAL 56 16.916 1.861 5.137 1161 HA VAL 56 HA VAL 56 14.293 2.314 6.172 1162 HB VAL 56 HB VAL 56 13.512 2.668 3.945 1163 1HG1 VAL 56 1HG1 VAL 56 14.752 4.478 5.064 1164 2HG1 VAL 56 2HG1 VAL 56 16.267 3.918 4.335 1165 3HG1 VAL 56 3HG1 VAL 56 14.969 4.528 3.306 1166 1HG2 VAL 56 1HG2 VAL 56 14.653 0.882 2.709 1167 2HG2 VAL 56 2HG2 VAL 56 14.960 2.461 1.968 1168 3HG2 VAL 56 3HG2 VAL 56 16.203 1.702 2.974 1169 H MET 57 H MET 57 15.733 -0.627 4.644 1170 HA MET 57 HA MET 57 13.152 -1.966 4.772 1171 1HB MET 57 1HB MET 57 14.236 -4.039 4.520 1172 2HB MET 57 2HB MET 57 14.742 -2.880 3.288 1173 1HG MET 57 1HG MET 57 16.915 -2.773 4.152 1174 2HG MET 57 2HG MET 57 16.469 -3.469 5.724 1175 1HE MET 57 1HE MET 57 14.928 -5.205 2.608 1176 2HE MET 57 2HE MET 57 16.349 -4.365 1.943 1177 3HE MET 57 3HE MET 57 16.312 -6.142 2.049 1178 H GLU 58 H GLU 58 15.981 -1.851 7.005 1179 HA GLU 58 HA GLU 58 15.075 -3.633 8.936 1180 1HB GLU 58 1HB GLU 58 17.311 -2.651 8.915 1181 2HB GLU 58 2HB GLU 58 16.654 -1.047 9.282 1182 1HG GLU 58 1HG GLU 58 15.907 -1.777 11.484 1183 2HG GLU 58 2HG GLU 58 16.345 -3.447 11.104 1184 H THR 59 H THR 59 14.371 -0.223 8.580 1185 HA THR 59 HA THR 59 12.802 0.363 10.817 1186 HB THR 59 HB THR 59 12.683 1.299 7.920 1187 HG1 THR 59 HG1 THR 59 14.590 1.728 8.968 1188 1HG2 THR 59 1HG2 THR 59 11.304 2.604 10.277 1189 2HG2 THR 59 2HG2 THR 59 11.601 3.359 8.689 1190 3HG2 THR 59 3HG2 THR 59 10.547 1.958 8.794 1191 H LEU 60 H LEU 60 11.856 -1.355 7.812 1192 HA LEU 60 HA LEU 60 9.049 -1.629 8.827 1193 1HB LEU 60 1HB LEU 60 10.109 -2.060 6.009 1194 2HB LEU 60 2HB LEU 60 8.423 -2.032 6.552 1195 HG LEU 60 HG LEU 60 10.314 0.364 6.569 1196 1HD1 LEU 60 1HD1 LEU 60 7.878 -0.309 4.873 1197 2HD1 LEU 60 2HD1 LEU 60 8.792 1.215 4.836 1198 3HD1 LEU 60 3HD1 LEU 60 9.576 -0.297 4.333 1199 1HD2 LEU 60 1HD2 LEU 60 8.732 0.507 8.450 1200 2HD2 LEU 60 2HD2 LEU 60 8.261 1.641 7.179 1201 3HD2 LEU 60 3HD2 LEU 60 7.379 0.108 7.371 1202 H ASP 61 H ASP 61 11.935 -3.371 8.528 1203 HA ASP 61 HA ASP 61 10.891 -5.834 7.607 1204 1HB ASP 61 1HB ASP 61 13.274 -5.215 7.428 1205 2HB ASP 61 2HB ASP 61 13.437 -5.359 9.186 1206 H SER 62 H SER 62 8.983 -5.805 8.986 1207 HA SER 62 HA SER 62 8.629 -6.601 11.593 1208 1HB SER 62 1HB SER 62 6.677 -7.872 10.656 1209 2HB SER 62 2HB SER 62 6.849 -6.270 9.898 1210 HG SER 62 HG SER 62 6.575 -7.732 8.270 1211 H ASP 63 H ASP 63 9.634 -8.580 8.848 1212 HA ASP 63 HA ASP 63 9.649 -11.081 10.187 1213 1HB ASP 63 1HB ASP 63 11.340 -10.367 7.764 1214 2HB ASP 63 2HB ASP 63 10.681 -11.943 8.204 1215 H GLY 64 H GLY 64 11.951 -8.488 10.398 1216 1HA GLY 64 1HA GLY 64 14.094 -8.309 11.145 1217 2HA GLY 64 2HA GLY 64 13.623 -9.583 12.284 1218 H ASP 65 H ASP 65 14.021 -9.700 8.733 1219 HA ASP 65 HA ASP 65 15.841 -12.058 9.074 1220 1HB ASP 65 1HB ASP 65 13.504 -12.506 8.287 1221 2HB ASP 65 2HB ASP 65 13.818 -11.490 6.869 1222 H GLY 66 H GLY 66 15.787 -8.835 8.039 1223 1HA GLY 66 1HA GLY 66 17.404 -7.628 6.991 1224 2HA GLY 66 2HA GLY 66 18.367 -9.090 6.719 1225 H GLU 67 H GLU 67 15.127 -9.467 5.629 1226 HA GLU 67 HA GLU 67 15.419 -8.089 3.110 1227 1HB GLU 67 1HB GLU 67 14.537 -10.224 1.954 1228 2HB GLU 67 2HB GLU 67 16.255 -10.185 2.385 1229 1HG GLU 67 1HG GLU 67 15.929 -11.575 4.326 1230 2HG GLU 67 2HG GLU 67 14.181 -11.585 4.069 1231 H CYS 68 H CYS 68 13.424 -7.312 2.498 1232 HA CYS 68 HA CYS 68 11.453 -7.369 4.733 1233 1HB CYS 68 1HB CYS 68 12.359 -5.313 2.798 1234 2HB CYS 68 2HB CYS 68 10.586 -5.396 2.973 1235 HG CYS 68 HG CYS 68 11.495 -3.568 4.543 1236 H ASP 69 H ASP 69 9.371 -8.061 4.532 1237 HA ASP 69 HA ASP 69 8.852 -9.844 2.324 1238 1HB ASP 69 1HB ASP 69 8.168 -10.355 4.661 1239 2HB ASP 69 2HB ASP 69 7.044 -8.979 4.627 1240 H PHE 70 H PHE 70 7.076 -9.753 0.883 1241 HA PHE 70 HA PHE 70 6.552 -7.411 -0.446 1242 1HB PHE 70 1HB PHE 70 5.925 -9.666 -1.232 1243 2HB PHE 70 2HB PHE 70 4.619 -9.707 -0.052 1244 HD1 PHE 70 HD1 PHE 70 5.985 -7.626 -2.807 1245 HD2 PHE 70 HD2 PHE 70 2.449 -8.891 -0.746 1246 HE1 PHE 70 HE1 PHE 70 4.613 -6.370 -4.446 1247 HE2 PHE 70 HE2 PHE 70 1.073 -7.527 -2.276 1248 HZ PHE 70 HZ PHE 70 2.170 -6.212 -4.121 1249 H GLN 71 H GLN 71 4.763 -8.589 2.429 1250 HA GLN 71 HA GLN 71 2.759 -6.592 2.609 1251 1HB GLN 71 1HB GLN 71 4.376 -8.112 4.688 1252 2HB GLN 71 2HB GLN 71 3.085 -7.004 5.143 1253 1HG GLN 71 1HG GLN 71 2.513 -9.215 3.142 1254 2HG GLN 71 2HG GLN 71 2.586 -9.549 4.873 1255 1HE2 GLN 71 2HE2 GLN 71 0.597 -8.006 2.342 1256 2HE2 GLN 71 1HE2 GLN 71 -0.678 -7.555 3.473 1257 H GLU 72 H GLU 72 6.196 -6.489 3.708 1258 HA GLU 72 HA GLU 72 5.812 -3.902 5.006 1259 1HB GLU 72 1HB GLU 72 8.418 -5.327 4.299 1260 2HB GLU 72 2HB GLU 72 8.180 -4.027 5.468 1261 1HG GLU 72 1HG GLU 72 7.247 -6.916 5.697 1262 2HG GLU 72 2HG GLU 72 8.353 -6.047 6.731 1263 H PHE 73 H PHE 73 7.137 -5.089 1.947 1264 HA PHE 73 HA PHE 73 7.856 -2.544 0.834 1265 1HB PHE 73 1HB PHE 73 8.585 -4.369 -0.339 1266 2HB PHE 73 2HB PHE 73 7.046 -5.210 -0.260 1267 HD1 PHE 73 HD1 PHE 73 5.284 -4.814 -1.882 1268 HD2 PHE 73 HD2 PHE 73 8.984 -2.611 -2.079 1269 HE1 PHE 73 HE1 PHE 73 4.702 -4.028 -4.165 1270 HE2 PHE 73 HE2 PHE 73 8.476 -2.000 -4.433 1271 HZ PHE 73 HZ PHE 73 6.352 -2.720 -5.486 1272 H MET 74 H MET 74 4.674 -4.267 0.869 1273 HA MET 74 HA MET 74 3.267 -2.228 -0.502 1274 1HB MET 74 1HB MET 74 2.359 -4.390 1.407 1275 2HB MET 74 2HB MET 74 1.231 -3.271 0.651 1276 1HG MET 74 1HG MET 74 3.155 -4.494 -1.251 1277 2HG MET 74 2HG MET 74 2.114 -5.646 -0.436 1278 1HE MET 74 1HE MET 74 0.121 -2.220 -2.839 1279 2HE MET 74 2HE MET 74 0.684 -2.014 -1.176 1280 3HE MET 74 3HE MET 74 1.872 -2.170 -2.501 1281 H ALA 75 H ALA 75 3.944 -2.620 2.961 1282 HA ALA 75 HA ALA 75 2.487 -0.322 3.833 1283 1HB ALA 75 1HB ALA 75 5.068 -1.399 5.037 1284 2HB ALA 75 2HB ALA 75 3.871 -0.353 5.816 1285 3HB ALA 75 3HB ALA 75 3.436 -2.016 5.371 1286 H PHE 76 H PHE 76 5.830 -0.642 2.583 1287 HA PHE 76 HA PHE 76 6.587 2.097 2.914 1288 1HB PHE 76 1HB PHE 76 8.214 0.350 2.493 1289 2HB PHE 76 2HB PHE 76 7.561 0.066 0.896 1290 HD1 PHE 76 HD1 PHE 76 8.357 1.275 -0.959 1291 HD2 PHE 76 HD2 PHE 76 9.202 2.729 3.039 1292 HE1 PHE 76 HE1 PHE 76 9.940 2.928 -1.888 1293 HE2 PHE 76 HE2 PHE 76 10.706 4.435 2.073 1294 HZ PHE 76 HZ PHE 76 11.082 4.540 -0.393 1295 H VAL 77 H VAL 77 5.276 0.321 0.092 1296 HA VAL 77 HA VAL 77 4.898 2.461 -1.692 1297 HB VAL 77 HB VAL 77 3.410 -0.132 -1.234 1298 1HG1 VAL 77 1HG1 VAL 77 2.366 0.195 -3.503 1299 2HG1 VAL 77 2HG1 VAL 77 1.744 1.328 -2.309 1300 3HG1 VAL 77 3HG1 VAL 77 2.947 1.868 -3.499 1301 1HG2 VAL 77 1HG2 VAL 77 5.271 0.776 -3.474 1302 2HG2 VAL 77 2HG2 VAL 77 5.758 -0.242 -2.108 1303 3HG2 VAL 77 3HG2 VAL 77 4.570 -0.843 -3.273 1304 H ALA 78 H ALA 78 2.691 1.261 0.921 1305 HA ALA 78 HA ALA 78 0.589 3.039 0.391 1306 1HB ALA 78 1HB ALA 78 -0.171 2.605 2.655 1307 2HB ALA 78 2HB ALA 78 0.412 1.106 1.908 1308 3HB ALA 78 3HB ALA 78 1.409 1.952 3.112 1309 H MET 79 H MET 79 3.342 3.542 2.729 1310 HA MET 79 HA MET 79 2.415 6.157 3.451 1311 1HB MET 79 1HB MET 79 4.680 6.600 4.309 1312 2HB MET 79 2HB MET 79 3.953 5.112 4.926 1313 1HG MET 79 1HG MET 79 5.353 3.755 3.565 1314 2HG MET 79 2HG MET 79 5.943 5.151 2.638 1315 1HE MET 79 1HE MET 79 7.436 4.225 6.845 1316 2HE MET 79 2HE MET 79 5.761 4.772 6.575 1317 3HE MET 79 3HE MET 79 6.291 3.178 5.964 1318 H ILE 80 H ILE 80 4.754 5.116 0.963 1319 HA ILE 80 HA ILE 80 5.558 7.688 0.060 1320 HB ILE 80 HB ILE 80 5.329 4.957 -1.252 1321 1HG1 ILE 80 1HG1 ILE 80 6.969 5.258 0.667 1322 2HG1 ILE 80 2HG1 ILE 80 7.618 4.660 -0.853 1323 1HG2 ILE 80 1HG2 ILE 80 5.278 6.543 -3.072 1324 2HG2 ILE 80 2HG2 ILE 80 6.685 7.404 -2.400 1325 3HG2 ILE 80 3HG2 ILE 80 6.842 5.739 -3.005 1326 1HD1 ILE 80 1HD1 ILE 80 7.818 7.567 0.035 1327 2HD1 ILE 80 2HD1 ILE 80 9.050 6.330 0.328 1328 3HD1 ILE 80 3HD1 ILE 80 8.653 6.795 -1.332 1329 H THR 81 H THR 81 2.992 5.527 -1.079 1330 HA THR 81 HA THR 81 2.028 7.164 -3.174 1331 HB THR 81 HB THR 81 0.750 4.919 -1.546 1332 HG1 THR 81 HG1 THR 81 2.489 4.249 -2.671 1333 1HG2 THR 81 1HG2 THR 81 -0.350 6.455 -3.874 1334 2HG2 THR 81 2HG2 THR 81 -0.571 4.689 -3.823 1335 3HG2 THR 81 3HG2 THR 81 -1.143 5.681 -2.483 1336 H THR 82 H THR 82 1.015 6.844 0.293 1337 HA THR 82 HA THR 82 -1.165 8.681 0.129 1338 HB THR 82 HB THR 82 0.598 8.010 2.517 1339 HG1 THR 82 HG1 THR 82 -0.354 6.181 1.672 1340 1HG2 THR 82 1HG2 THR 82 -0.806 10.014 2.941 1341 2HG2 THR 82 2HG2 THR 82 -2.237 9.142 2.344 1342 3HG2 THR 82 3HG2 THR 82 -1.423 8.608 3.826 1343 H ALA 83 H ALA 83 2.323 9.193 0.935 1344 HA ALA 83 HA ALA 83 2.134 11.996 1.329 1345 1HB ALA 83 1HB ALA 83 4.086 10.605 1.908 1346 2HB ALA 83 2HB ALA 83 4.467 10.396 0.187 1347 3HB ALA 83 3HB ALA 83 4.545 12.005 0.924 1348 H CYS 84 H CYS 84 2.727 10.103 -1.675 1349 HA CYS 84 HA CYS 84 2.987 12.347 -3.414 1350 1HB CYS 84 1HB CYS 84 3.638 10.153 -4.211 1351 2HB CYS 84 2HB CYS 84 1.969 9.551 -4.037 1352 HG CYS 84 HG CYS 84 2.512 9.988 -6.558 1353 H HIS 85 H HIS 85 0.085 10.417 -2.537 1354 HA HIS 85 HA HIS 85 -1.859 11.735 -4.067 1355 1HB HIS 85 1HB HIS 85 -2.273 9.689 -2.858 1356 2HB HIS 85 2HB HIS 85 -2.017 10.462 -1.304 1357 HD1 HIS 85 HD1 HIS 85 -4.800 9.517 -3.509 1358 HD2 HIS 85 HD2 HIS 85 -3.912 12.366 -0.546 1359 HE1 HIS 85 HE1 HIS 85 -7.028 10.419 -2.657 1360 H GLU 86 H GLU 86 -0.906 12.440 -0.674 1361 HA GLU 86 HA GLU 86 -2.552 14.725 -0.356 1362 1HB GLU 86 1HB GLU 86 0.133 13.929 0.868 1363 2HB GLU 86 2HB GLU 86 -0.803 15.307 1.433 1364 1HG GLU 86 1HG GLU 86 -1.865 12.445 1.389 1365 2HG GLU 86 2HG GLU 86 -1.167 13.253 2.796 1366 H PHE 87 H PHE 87 0.849 14.477 -1.476 1367 HA PHE 87 HA PHE 87 1.297 17.284 -1.692 1368 1HB PHE 87 1HB PHE 87 3.100 15.700 -1.603 1369 2HB PHE 87 2HB PHE 87 2.537 14.855 -3.032 1370 HD1 PHE 87 HD1 PHE 87 4.277 17.932 -1.868 1371 HD2 PHE 87 HD2 PHE 87 2.927 15.685 -5.292 1372 HE1 PHE 87 HE1 PHE 87 5.914 19.117 -3.292 1373 HE2 PHE 87 HE2 PHE 87 4.505 16.937 -6.727 1374 HZ PHE 87 HZ PHE 87 6.029 18.630 -5.729 1375 H PHE 88 H PHE 88 0.266 14.876 -4.054 1376 HA PHE 88 HA PHE 88 0.300 16.593 -6.347 1377 1HB PHE 88 1HB PHE 88 0.647 14.169 -6.369 1378 2HB PHE 88 2HB PHE 88 -1.003 13.901 -5.778 1379 HD1 PHE 88 HD1 PHE 88 0.782 15.617 -8.637 1380 HD2 PHE 88 HD2 PHE 88 -2.664 13.362 -7.344 1381 HE1 PHE 88 HE1 PHE 88 -0.009 15.470 -10.980 1382 HE2 PHE 88 HE2 PHE 88 -3.429 13.190 -9.691 1383 HZ PHE 88 HZ PHE 88 -2.105 14.247 -11.517 1384 H GLU 89 H GLU 89 -2.242 15.556 -4.037 1385 HA GLU 89 HA GLU 89 -4.368 16.842 -5.517 1386 1HB GLU 89 1HB GLU 89 -4.721 14.990 -3.906 1387 2HB GLU 89 2HB GLU 89 -4.275 16.063 -2.567 1388 1HG GLU 89 1HG GLU 89 -6.134 17.589 -3.159 1389 2HG GLU 89 2HG GLU 89 -6.534 16.586 -4.559 1390 H HIS 90 H HIS 90 -2.583 17.758 -2.472 1391 HA HIS 90 HA HIS 90 -3.788 20.452 -2.613 1392 1HB HIS 90 1HB HIS 90 -3.525 19.187 -0.487 1393 2HB HIS 90 2HB HIS 90 -1.773 19.261 -0.697 1394 HD1 HIS 90 HD1 HIS 90 -0.738 21.819 -0.686 1395 HD2 HIS 90 HD2 HIS 90 -4.671 21.272 0.678 1396 HE1 HIS 90 HE1 HIS 90 -1.352 23.931 0.662 1397 H GLU 91 H GLU 91 -2.740 20.596 -4.850 1398 HA GLU 91 HA GLU 91 0.045 20.861 -5.186 1399 1HB GLU 91 1HB GLU 91 -2.161 22.361 -6.675 1400 2HB GLU 91 2HB GLU 91 -0.480 22.172 -7.205 1401 1HG GLU 91 1HG GLU 91 -0.807 19.667 -7.172 1402 2HG GLU 91 2HG GLU 91 -2.527 19.936 -6.851 1403 1H LYS 62 H1 LYS 62 -35.088 -23.152 21.086 1404 2H LYS 62 H2 LYS 62 -33.753 -23.456 20.168 1405 3H LYS 62 H3 LYS 62 -34.913 -22.422 19.622 1406 HA LYS 62 HA LYS 62 -34.491 -20.901 21.402 1407 1HB LYS 62 1HB LYS 62 -32.184 -22.794 22.037 1408 2HB LYS 62 2HB LYS 62 -32.441 -21.189 22.743 1409 1HG LYS 62 1HG LYS 62 -34.645 -21.966 23.634 1410 2HG LYS 62 2HG LYS 62 -34.298 -23.596 23.017 1411 1HD LYS 62 1HD LYS 62 -32.204 -23.648 24.384 1412 2HD LYS 62 2HD LYS 62 -32.624 -22.070 25.068 1413 1HE LYS 62 1HE LYS 62 -34.284 -24.631 25.313 1414 2HE LYS 62 2HE LYS 62 -33.236 -23.952 26.568 1415 1HZ LYS 62 1HZ LYS 62 -35.615 -22.653 25.444 1416 2HZ LYS 62 2HZ LYS 62 -35.491 -23.352 26.929 1417 3HZ LYS 62 3HZ LYS 62 -34.618 -21.999 26.582 1418 H ARG 63 H ARG 63 -31.709 -22.576 19.808 1419 HA ARG 63 HA ARG 63 -30.701 -20.027 18.834 1420 1HB ARG 63 1HB ARG 63 -29.357 -22.161 19.508 1421 2HB ARG 63 2HB ARG 63 -29.656 -22.680 17.851 1422 1HG ARG 63 1HG ARG 63 -28.230 -20.184 18.865 1423 2HG ARG 63 2HG ARG 63 -27.539 -21.527 17.947 1424 1HD ARG 63 1HD ARG 63 -28.874 -20.820 15.948 1425 2HD ARG 63 2HD ARG 63 -29.536 -19.474 16.904 1426 HE ARG 63 HE ARG 63 -26.617 -19.632 16.736 1427 1HH1 ARG 63 2HH2 ARG 63 -29.593 -18.120 15.352 1428 2HH1 ARG 63 1HH2 ARG 63 -28.671 -16.670 14.923 1429 1HH2 ARG 63 2HH1 ARG 63 -25.570 -17.714 16.001 1430 2HH2 ARG 63 1HH1 ARG 63 -26.533 -16.481 15.191 1431 H LEU 64 H LEU 64 -32.822 -19.510 17.822 1432 HA LEU 64 HA LEU 64 -33.604 -20.828 15.351 1433 1HB LEU 64 1HB LEU 64 -34.203 -18.012 16.336 1434 2HB LEU 64 2HB LEU 64 -35.049 -18.869 15.044 1435 HG LEU 64 HG LEU 64 -35.049 -19.638 17.999 1436 1HD1 LEU 64 1HD1 LEU 64 -37.244 -18.538 16.199 1437 2HD1 LEU 64 2HD1 LEU 64 -37.405 -18.975 17.913 1438 3HD1 LEU 64 3HD1 LEU 64 -36.368 -17.618 17.439 1439 1HD2 LEU 64 1HD2 LEU 64 -35.226 -21.687 16.675 1440 2HD2 LEU 64 2HD2 LEU 64 -36.816 -21.273 17.321 1441 3HD2 LEU 64 3HD2 LEU 64 -36.445 -20.936 15.618 1442 H ARG 65 H ARG 65 -33.603 -19.602 13.245 1443 HA ARG 65 HA ARG 65 -30.860 -18.743 12.609 1444 1HB ARG 65 1HB ARG 65 -33.293 -19.072 10.790 1445 2HB ARG 65 2HB ARG 65 -31.639 -18.702 10.305 1446 1HG ARG 65 1HG ARG 65 -31.574 -20.934 9.929 1447 2HG ARG 65 2HG ARG 65 -31.028 -20.921 11.597 1448 1HD ARG 65 1HD ARG 65 -33.688 -21.239 12.077 1449 2HD ARG 65 2HD ARG 65 -33.708 -21.701 10.387 1450 HE ARG 65 HE ARG 65 -32.820 -23.728 10.975 1451 1HH1 ARG 65 2HH2 ARG 65 -31.921 -21.386 13.398 1452 2HH1 ARG 65 1HH2 ARG 65 -31.560 -22.508 14.677 1453 1HH2 ARG 65 2HH1 ARG 65 -32.191 -25.323 12.529 1454 2HH2 ARG 65 1HH1 ARG 65 -31.589 -24.832 14.091 1455 H ARG 66 H ARG 66 -31.725 -16.984 14.374 1456 HA ARG 66 HA ARG 66 -33.182 -14.750 13.206 1457 1HB ARG 66 1HB ARG 66 -32.764 -13.655 15.343 1458 2HB ARG 66 2HB ARG 66 -33.440 -15.276 15.537 1459 1HG ARG 66 1HG ARG 66 -31.176 -16.155 16.131 1460 2HG ARG 66 2HG ARG 66 -30.493 -14.537 15.891 1461 1HD ARG 66 1HD ARG 66 -30.867 -14.909 18.271 1462 2HD ARG 66 2HD ARG 66 -31.953 -13.659 17.685 1463 HE ARG 66 HE ARG 66 -33.786 -14.984 18.078 1464 1HH1 ARG 66 1HH2 ARG 66 -30.887 -17.039 18.373 1465 2HH1 ARG 66 2HH2 ARG 66 -31.768 -18.281 19.258 1466 1HH2 ARG 66 2HH1 ARG 66 -34.863 -16.712 19.184 1467 2HH2 ARG 66 1HH1 ARG 66 -33.944 -18.155 19.589 1468 H SER 67 H SER 67 -29.863 -15.726 13.299 1469 HA SER 67 HA SER 67 -28.682 -13.126 13.247 1470 1HB SER 67 1HB SER 67 -27.536 -15.855 12.529 1471 2HB SER 67 2HB SER 67 -26.606 -14.389 12.870 1472 HG SER 67 HG SER 67 -27.640 -14.342 14.946 1473 H ALA 68 H ALA 68 -30.306 -12.520 11.427 1474 HA ALA 68 HA ALA 68 -29.817 -13.028 8.707 1475 1HB ALA 68 1HB ALA 68 -31.671 -11.637 9.551 1476 2HB ALA 68 2HB ALA 68 -30.518 -10.376 10.045 1477 3HB ALA 68 3HB ALA 68 -30.730 -10.766 8.324 1478 H HIS 69 H HIS 69 -27.966 -11.138 11.003 1479 HA HIS 69 HA HIS 69 -26.110 -9.909 9.166 1480 1HB HIS 69 1HB HIS 69 -24.906 -9.352 11.241 1481 2HB HIS 69 2HB HIS 69 -26.621 -8.968 11.353 1482 HD1 HIS 69 HD1 HIS 69 -24.193 -11.708 12.524 1483 HD2 HIS 69 HD2 HIS 69 -28.003 -10.142 13.326 1484 HE1 HIS 69 HE1 HIS 69 -25.027 -12.867 14.668 1485 H ALA 70 H ALA 70 -26.213 -12.477 8.273 1486 HA ALA 70 HA ALA 70 -24.092 -14.147 9.399 1487 1HB ALA 70 1HB ALA 70 -25.691 -14.366 6.815 1488 2HB ALA 70 2HB ALA 70 -24.644 -15.623 7.508 1489 3HB ALA 70 3HB ALA 70 -26.115 -15.126 8.367 1490 H ARG 71 H ARG 71 -22.398 -14.967 7.769 1491 HA ARG 71 HA ARG 71 -20.840 -12.645 6.999 1492 1HB ARG 71 1HB ARG 71 -20.190 -15.591 6.716 1493 2HB ARG 71 2HB ARG 71 -19.037 -14.256 6.640 1494 1HG ARG 71 1HG ARG 71 -20.661 -14.979 9.131 1495 2HG ARG 71 2HG ARG 71 -19.062 -15.593 8.765 1496 1HD ARG 71 1HD ARG 71 -18.872 -13.752 10.350 1497 2HD ARG 71 2HD ARG 71 -18.070 -13.382 8.826 1498 HE ARG 71 HE ARG 71 -19.418 -11.584 8.551 1499 1HH1 ARG 71 2HH2 ARG 71 -21.106 -13.730 10.842 1500 2HH1 ARG 71 1HH2 ARG 71 -22.545 -12.706 10.843 1501 1HH2 ARG 71 2HH1 ARG 71 -21.298 -10.302 8.674 1502 2HH2 ARG 71 1HH1 ARG 71 -22.612 -10.805 9.725 1503 H LYS 72 H LYS 72 -22.729 -12.187 5.459 1504 HA LYS 72 HA LYS 72 -22.904 -13.273 2.864 1505 1HB LYS 72 1HB LYS 72 -23.103 -10.392 3.845 1506 2HB LYS 72 2HB LYS 72 -23.582 -10.941 2.228 1507 1HG LYS 72 1HG LYS 72 -25.225 -12.505 3.255 1508 2HG LYS 72 2HG LYS 72 -24.797 -11.893 4.867 1509 1HD LYS 72 1HD LYS 72 -25.462 -9.591 4.147 1510 2HD LYS 72 2HD LYS 72 -25.941 -10.247 2.568 1511 1HE LYS 72 1HE LYS 72 -27.615 -11.708 3.689 1512 2HE LYS 72 2HE LYS 72 -27.135 -11.045 5.265 1513 1HZ LYS 72 1HZ LYS 72 -29.067 -9.963 4.402 1514 2HZ LYS 72 2HZ LYS 72 -27.815 -8.894 4.506 1515 3HZ LYS 72 3HZ LYS 72 -28.263 -9.498 3.039 1516 H GLU 73 H GLU 73 -20.473 -11.208 4.338 1517 HA GLU 73 HA GLU 73 -18.901 -10.283 2.315 1518 1HB GLU 73 1HB GLU 73 -17.834 -11.756 4.773 1519 2HB GLU 73 2HB GLU 73 -17.006 -10.568 3.765 1520 1HG GLU 73 1HG GLU 73 -17.580 -9.235 5.514 1521 2HG GLU 73 2HG GLU 73 -18.960 -8.950 4.457 1522 H THR 74 H THR 74 -19.056 -13.686 3.412 1523 HA THR 74 HA THR 74 -16.916 -14.802 2.069 1524 HB THR 74 HB THR 74 -19.666 -16.078 2.364 1525 HG1 THR 74 HG1 THR 74 -19.245 -15.421 4.353 1526 1HG2 THR 74 1HG2 THR 74 -18.024 -17.453 1.104 1527 2HG2 THR 74 2HG2 THR 74 -16.839 -17.237 2.412 1528 3HG2 THR 74 3HG2 THR 74 -18.338 -18.140 2.707 1529 H GLU 75 H GLU 75 -20.067 -13.819 0.705 1530 HA GLU 75 HA GLU 75 -20.153 -15.248 -1.685 1531 1HB GLU 75 1HB GLU 75 -20.959 -12.394 -1.070 1532 2HB GLU 75 2HB GLU 75 -21.433 -13.242 -2.539 1533 1HG GLU 75 1HG GLU 75 -22.792 -14.803 -1.338 1534 2HG GLU 75 2HG GLU 75 -22.109 -14.340 0.224 1535 H PHE 76 H PHE 76 -18.256 -12.374 -0.859 1536 HA PHE 76 HA PHE 76 -17.146 -12.211 -3.624 1537 1HB PHE 76 1HB PHE 76 -16.613 -10.098 -1.581 1538 2HB PHE 76 2HB PHE 76 -16.848 -9.965 -3.317 1539 HD1 PHE 76 HD1 PHE 76 -18.405 -9.890 -0.031 1540 HD2 PHE 76 HD2 PHE 76 -19.254 -10.169 -4.244 1541 HE1 PHE 76 HE1 PHE 76 -20.836 -9.800 0.433 1542 HE2 PHE 76 HE2 PHE 76 -21.673 -10.006 -3.768 1543 HZ PHE 76 HZ PHE 76 -22.458 -9.710 -1.410 1544 H LEU 77 H LEU 77 -16.262 -12.238 -0.146 1545 HA LEU 77 HA LEU 77 -13.456 -12.116 -0.576 1546 1HB LEU 77 1HB LEU 77 -14.971 -13.256 1.799 1547 2HB LEU 77 2HB LEU 77 -13.247 -12.874 1.753 1548 HG LEU 77 HG LEU 77 -15.551 -10.888 1.584 1549 1HD1 LEU 77 1HD1 LEU 77 -14.967 -11.808 3.828 1550 2HD1 LEU 77 2HD1 LEU 77 -13.296 -11.257 3.600 1551 3HD1 LEU 77 3HD1 LEU 77 -14.616 -10.073 3.692 1552 1HD2 LEU 77 1HD2 LEU 77 -13.860 -10.018 0.091 1553 2HD2 LEU 77 2HD2 LEU 77 -13.787 -9.128 1.610 1554 3HD2 LEU 77 3HD2 LEU 77 -12.570 -10.378 1.267 1555 H ARG 78 H ARG 78 -15.615 -14.879 -0.898 1556 HA ARG 78 HA ARG 78 -14.005 -17.096 -0.655 1557 1HB ARG 78 1HB ARG 78 -16.330 -16.942 -1.607 1558 2HB ARG 78 2HB ARG 78 -15.575 -16.477 -3.142 1559 1HG ARG 78 1HG ARG 78 -14.188 -18.691 -2.876 1560 2HG ARG 78 2HG ARG 78 -15.276 -19.041 -1.530 1561 1HD ARG 78 1HD ARG 78 -15.814 -19.032 -4.490 1562 2HD ARG 78 2HD ARG 78 -16.242 -20.173 -3.223 1563 HE ARG 78 HE ARG 78 -18.118 -18.908 -2.613 1564 1HH1 ARG 78 2HH1 ARG 78 -16.425 -17.335 -5.331 1565 2HH1 ARG 78 1HH1 ARG 78 -17.652 -16.106 -5.518 1566 1HH2 ARG 78 1HH2 ARG 78 -19.670 -17.255 -2.886 1567 2HH2 ARG 78 2HH2 ARG 78 -19.285 -15.897 -3.923 1568 H LEU 79 H LEU 79 -13.849 -14.645 -3.330 1569 HA LEU 79 HA LEU 79 -11.873 -16.096 -4.839 1570 1HB LEU 79 1HB LEU 79 -12.754 -13.188 -4.851 1571 2HB LEU 79 2HB LEU 79 -11.460 -13.828 -5.873 1572 HG LEU 79 HG LEU 79 -12.993 -15.468 -6.887 1573 1HD1 LEU 79 1HD1 LEU 79 -15.466 -15.017 -6.701 1574 2HD1 LEU 79 2HD1 LEU 79 -14.757 -15.722 -5.250 1575 3HD1 LEU 79 3HD1 LEU 79 -15.133 -13.982 -5.298 1576 1HD2 LEU 79 1HD2 LEU 79 -12.495 -13.295 -7.956 1577 2HD2 LEU 79 2HD2 LEU 79 -14.140 -13.838 -8.320 1578 3HD2 LEU 79 3HD2 LEU 79 -13.878 -12.566 -7.112 1579 H LYS 80 H LYS 80 -11.653 -13.630 -2.257 1580 HA LYS 80 HA LYS 80 -8.808 -13.224 -2.451 1581 1HB LYS 80 1HB LYS 80 -10.428 -11.693 -1.315 1582 2HB LYS 80 2HB LYS 80 -10.580 -12.882 -0.008 1583 1HG LYS 80 1HG LYS 80 -8.119 -12.719 0.404 1584 2HG LYS 80 2HG LYS 80 -7.995 -11.525 -0.906 1585 1HD LYS 80 1HD LYS 80 -9.594 -10.055 0.294 1586 2HD LYS 80 2HD LYS 80 -9.703 -11.243 1.607 1587 1HE LYS 80 1HE LYS 80 -7.291 -10.964 2.091 1588 2HE LYS 80 2HE LYS 80 -7.137 -9.812 0.751 1589 1HZ LYS 80 1HZ LYS 80 -8.828 -9.449 3.124 1590 2HZ LYS 80 2HZ LYS 80 -7.384 -8.709 2.853 1591 3HZ LYS 80 3HZ LYS 80 -8.671 -8.379 1.881 1592 H ARG 81 H ARG 81 -10.905 -15.346 -0.433 1593 HA ARG 81 HA ARG 81 -8.802 -16.691 0.946 1594 1HB ARG 81 1HB ARG 81 -11.437 -17.944 0.101 1595 2HB ARG 81 2HB ARG 81 -10.355 -18.460 1.394 1596 1HG ARG 81 1HG ARG 81 -12.139 -16.013 1.319 1597 2HG ARG 81 2HG ARG 81 -12.181 -17.376 2.427 1598 1HD ARG 81 1HD ARG 81 -9.985 -16.640 3.378 1599 2HD ARG 81 2HD ARG 81 -10.029 -15.225 2.289 1600 HE ARG 81 HE ARG 81 -12.457 -15.372 3.765 1601 1HH1 ARG 81 2HH2 ARG 81 -9.041 -14.597 4.213 1602 2HH1 ARG 81 1HH2 ARG 81 -9.317 -13.476 5.518 1603 1HH2 ARG 81 2HH1 ARG 81 -12.839 -13.916 5.467 1604 2HH2 ARG 81 1HH1 ARG 81 -11.523 -13.083 6.246 1605 H THR 82 H THR 82 -10.308 -17.379 -2.221 1606 HA THR 82 HA THR 82 -8.850 -19.759 -2.743 1607 HB THR 82 HB THR 82 -9.849 -17.728 -4.789 1608 HG1 THR 82 HG1 THR 82 -11.491 -18.431 -3.351 1609 1HG2 THR 82 1HG2 THR 82 -8.365 -19.451 -5.768 1610 2HG2 THR 82 2HG2 THR 82 -10.052 -19.717 -6.239 1611 3HG2 THR 82 3HG2 THR 82 -9.320 -20.725 -4.976 1612 H ARG 83 H ARG 83 -8.047 -16.288 -3.565 1613 HA ARG 83 HA ARG 83 -5.585 -16.999 -4.800 1614 1HB ARG 83 1HB ARG 83 -6.553 -14.400 -3.541 1615 2HB ARG 83 2HB ARG 83 -5.041 -14.588 -4.432 1616 1HG ARG 83 1HG ARG 83 -6.372 -15.446 -6.412 1617 2HG ARG 83 2HG ARG 83 -7.836 -14.956 -5.552 1618 1HD ARG 83 1HD ARG 83 -5.524 -13.192 -6.458 1619 2HD ARG 83 2HD ARG 83 -7.136 -13.187 -7.121 1620 HE ARG 83 HE ARG 83 -6.186 -11.887 -4.680 1621 1HH1 ARG 83 2HH1 ARG 83 -9.037 -13.189 -6.278 1622 2HH1 ARG 83 1HH1 ARG 83 -10.152 -12.024 -5.616 1623 1HH2 ARG 83 2HH2 ARG 83 -7.644 -10.475 -3.608 1624 2HH2 ARG 83 1HH2 ARG 83 -9.361 -10.586 -3.917 1625 H LEU 84 H LEU 84 -6.388 -16.222 -1.387 1626 HA LEU 84 HA LEU 84 -3.677 -16.251 -0.433 1627 1HB LEU 84 1HB LEU 84 -6.325 -16.944 0.902 1628 2HB LEU 84 2HB LEU 84 -4.795 -16.937 1.772 1629 HG LEU 84 HG LEU 84 -5.837 -14.478 0.326 1630 1HD1 LEU 84 1HD1 LEU 84 -7.496 -15.123 2.008 1631 2HD1 LEU 84 2HD1 LEU 84 -6.223 -15.293 3.236 1632 3HD1 LEU 84 3HD1 LEU 84 -6.603 -13.697 2.553 1633 1HD2 LEU 84 1HD2 LEU 84 -4.298 -13.302 1.883 1634 2HD2 LEU 84 2HD2 LEU 84 -3.796 -14.858 2.573 1635 3HD2 LEU 84 3HD2 LEU 84 -3.415 -14.464 0.891 1636 H GLY 85 H GLY 85 -6.078 -18.805 -1.014 1637 1HA GLY 85 1HA GLY 85 -5.160 -21.014 0.177 1638 2HA GLY 85 2HA GLY 85 -5.799 -21.026 -1.472 1639 H LEU 86 H LEU 86 -3.613 -19.667 -2.791 1640 HA LEU 86 HA LEU 86 -1.882 -21.927 -3.236 1641 1HB LEU 86 1HB LEU 86 -1.593 -19.000 -3.979 1642 2HB LEU 86 2HB LEU 86 -0.499 -20.265 -4.520 1643 HG LEU 86 HG LEU 86 -1.886 -19.849 -6.329 1644 1HD1 LEU 86 1HD1 LEU 86 -1.448 -22.246 -5.843 1645 2HD1 LEU 86 2HD1 LEU 86 -3.079 -22.362 -5.136 1646 3HD1 LEU 86 3HD1 LEU 86 -2.878 -21.935 -6.846 1647 1HD2 LEU 86 1HD2 LEU 86 -3.765 -18.703 -5.106 1648 2HD2 LEU 86 2HD2 LEU 86 -4.273 -19.800 -6.393 1649 3HD2 LEU 86 3HD2 LEU 86 -4.414 -20.306 -4.704 1650 H GLU 87 H GLU 87 -1.637 -19.108 -1.121 1651 HA GLU 87 HA GLU 87 -0.028 -18.272 0.161 1652 1HB GLU 87 1HB GLU 87 -0.892 -20.247 1.382 1653 2HB GLU 87 2HB GLU 87 0.470 -21.206 0.783 1654 1HG GLU 87 1HG GLU 87 0.829 -20.399 3.094 1655 2HG GLU 87 2HG GLU 87 2.051 -19.741 2.008 1656 1H LYS 62 H1 LYS 62 39.988 19.387 0.818 1657 2H LYS 62 H2 LYS 62 38.706 19.940 1.696 1658 3H LYS 62 H3 LYS 62 38.960 18.320 1.541 1659 HA LYS 62 HA LYS 62 40.984 18.425 2.714 1660 1HB LYS 62 1HB LYS 62 41.614 20.704 2.084 1661 2HB LYS 62 2HB LYS 62 40.273 21.372 3.005 1662 1HG LYS 62 1HG LYS 62 42.438 21.620 4.159 1663 2HG LYS 62 2HG LYS 62 41.261 20.725 5.108 1664 1HD LYS 62 1HD LYS 62 43.479 19.736 5.305 1665 2HD LYS 62 2HD LYS 62 42.376 18.586 4.554 1666 1HE LYS 62 1HE LYS 62 43.323 19.142 2.312 1667 2HE LYS 62 2HE LYS 62 44.370 20.365 3.056 1668 1HZ LYS 62 1HZ LYS 62 45.421 18.613 4.288 1669 2HZ LYS 62 2HZ LYS 62 44.438 17.481 3.602 1670 3HZ LYS 62 3HZ LYS 62 45.508 18.317 2.670 1671 H ARG 63 H ARG 63 38.212 20.496 3.734 1672 HA ARG 63 HA ARG 63 37.274 18.425 5.558 1673 1HB ARG 63 1HB ARG 63 37.910 21.274 6.478 1674 2HB ARG 63 2HB ARG 63 36.867 20.143 7.352 1675 1HG ARG 63 1HG ARG 63 38.783 18.540 7.550 1676 2HG ARG 63 2HG ARG 63 39.824 19.725 6.749 1677 1HD ARG 63 1HD ARG 63 40.166 19.900 9.119 1678 2HD ARG 63 2HD ARG 63 39.339 21.369 8.554 1679 HE ARG 63 HE ARG 63 37.415 19.429 9.413 1680 1HH1 ARG 63 2HH2 ARG 63 39.881 21.575 10.739 1681 2HH1 ARG 63 1HH2 ARG 63 39.115 21.742 12.295 1682 1HH2 ARG 63 2HH1 ARG 63 36.386 19.637 11.442 1683 2HH2 ARG 63 1HH1 ARG 63 37.093 20.610 12.703 1684 H LEU 64 H LEU 64 34.976 19.008 6.178 1685 HA LEU 64 HA LEU 64 33.626 21.023 4.584 1686 1HB LEU 64 1HB LEU 64 33.897 19.106 2.994 1687 2HB LEU 64 2HB LEU 64 33.171 18.026 4.188 1688 HG LEU 64 HG LEU 64 31.006 19.235 3.972 1689 1HD1 LEU 64 1HD1 LEU 64 32.469 20.826 1.806 1690 2HD1 LEU 64 2HD1 LEU 64 30.717 20.842 2.085 1691 3HD1 LEU 64 3HD1 LEU 64 31.806 21.499 3.309 1692 1HD2 LEU 64 1HD2 LEU 64 31.500 17.272 2.581 1693 2HD2 LEU 64 2HD2 LEU 64 30.473 18.433 1.723 1694 3HD2 LEU 64 3HD2 LEU 64 32.202 18.322 1.331 1695 H ARG 65 H ARG 65 31.301 21.088 5.324 1696 HA ARG 65 HA ARG 65 31.077 20.509 8.156 1697 1HB ARG 65 1HB ARG 65 30.181 22.526 7.049 1698 2HB ARG 65 2HB ARG 65 28.935 21.567 6.267 1699 1HG ARG 65 1HG ARG 65 29.385 21.552 9.293 1700 2HG ARG 65 2HG ARG 65 28.468 22.840 8.523 1701 1HD ARG 65 1HD ARG 65 27.647 19.917 8.237 1702 2HD ARG 65 2HD ARG 65 27.134 20.961 9.542 1703 HE ARG 65 HE ARG 65 25.806 22.208 8.229 1704 1HH1 ARG 65 2HH2 ARG 65 27.505 19.875 6.122 1705 2HH1 ARG 65 1HH2 ARG 65 26.413 20.135 4.794 1706 1HH2 ARG 65 2HH1 ARG 65 24.504 22.607 6.451 1707 2HH2 ARG 65 1HH1 ARG 65 24.722 21.734 4.958 1708 H ARG 66 H ARG 66 31.395 18.359 8.224 1709 HA ARG 66 HA ARG 66 30.224 16.328 6.767 1710 1HB ARG 66 1HB ARG 66 31.116 14.833 8.363 1711 2HB ARG 66 2HB ARG 66 32.227 16.180 8.240 1712 1HG ARG 66 1HG ARG 66 30.263 15.570 10.499 1713 2HG ARG 66 2HG ARG 66 32.018 15.458 10.535 1714 1HD ARG 66 1HD ARG 66 30.341 17.990 10.466 1715 2HD ARG 66 2HD ARG 66 31.374 17.383 11.770 1716 HE ARG 66 HE ARG 66 32.919 17.761 9.379 1717 1HH1 ARG 66 1HH2 ARG 66 31.586 19.522 12.131 1718 2HH1 ARG 66 2HH2 ARG 66 32.434 20.999 11.772 1719 1HH2 ARG 66 2HH1 ARG 66 33.749 19.750 8.728 1720 2HH2 ARG 66 1HH1 ARG 66 33.843 21.080 9.864 1721 H SER 67 H SER 67 28.975 14.425 8.062 1722 HA SER 67 HA SER 67 26.296 15.338 7.945 1723 1HB SER 67 1HB SER 67 25.971 12.788 8.308 1724 2HB SER 67 2HB SER 67 26.895 13.324 6.896 1725 HG SER 67 HG SER 67 27.937 12.363 9.340 1726 H ALA 68 H ALA 68 27.126 16.742 10.099 1727 HA ALA 68 HA ALA 68 26.364 15.504 12.613 1728 1HB ALA 68 1HB ALA 68 26.376 18.427 11.720 1729 2HB ALA 68 2HB ALA 68 26.179 17.847 13.388 1730 3HB ALA 68 3HB ALA 68 27.706 17.569 12.527 1731 H HIS 69 H HIS 69 24.728 17.487 10.131 1732 HA HIS 69 HA HIS 69 22.134 17.365 11.445 1733 1HB HIS 69 1HB HIS 69 22.784 18.270 8.621 1734 2HB HIS 69 2HB HIS 69 21.384 18.712 9.601 1735 HD1 HIS 69 HD1 HIS 69 23.241 19.464 12.253 1736 HD2 HIS 69 HD2 HIS 69 23.624 20.755 8.267 1737 HE1 HIS 69 HE1 HIS 69 24.539 21.665 12.316 1738 H ALA 70 H ALA 70 22.891 14.766 11.165 1739 HA ALA 70 HA ALA 70 22.359 12.726 10.429 1740 1HB ALA 70 1HB ALA 70 19.919 14.004 9.119 1741 2HB ALA 70 2HB ALA 70 20.169 12.288 9.477 1742 3HB ALA 70 3HB ALA 70 20.046 13.458 10.803 1743 H ARG 71 H ARG 71 21.443 14.744 7.616 1744 HA ARG 71 HA ARG 71 22.164 14.894 5.537 1745 1HB ARG 71 1HB ARG 71 24.450 14.727 6.800 1746 2HB ARG 71 2HB ARG 71 24.577 13.148 6.045 1747 1HG ARG 71 1HG ARG 71 25.749 14.695 4.686 1748 2HG ARG 71 2HG ARG 71 24.302 14.223 3.795 1749 1HD ARG 71 1HD ARG 71 24.889 16.707 3.703 1750 2HD ARG 71 2HD ARG 71 23.250 16.350 4.207 1751 HE ARG 71 HE ARG 71 23.635 17.224 6.273 1752 1HH1 ARG 71 2HH1 ARG 71 26.799 16.731 4.737 1753 2HH1 ARG 71 1HH1 ARG 71 27.664 17.627 5.971 1754 1HH2 ARG 71 2HH2 ARG 71 24.817 18.284 7.920 1755 2HH2 ARG 71 1HH2 ARG 71 26.567 18.123 7.945 1756 H LYS 72 H LYS 72 23.062 11.595 6.525 1757 HA LYS 72 HA LYS 72 22.833 10.323 4.080 1758 1HB LYS 72 1HB LYS 72 22.427 9.213 6.889 1759 2HB LYS 72 2HB LYS 72 22.634 8.231 5.430 1760 1HG LYS 72 1HG LYS 72 24.823 9.299 5.001 1761 2HG LYS 72 2HG LYS 72 24.686 10.197 6.528 1762 1HD LYS 72 1HD LYS 72 24.527 8.075 7.790 1763 2HD LYS 72 2HD LYS 72 24.634 7.144 6.296 1764 1HE LYS 72 1HE LYS 72 26.798 9.009 7.376 1765 2HE LYS 72 2HE LYS 72 26.790 7.242 7.505 1766 1HZ LYS 72 1HZ LYS 72 26.860 7.112 5.117 1767 2HZ LYS 72 2HZ LYS 72 26.867 8.756 4.991 1768 3HZ LYS 72 3HZ LYS 72 28.133 7.978 5.698 1769 H GLU 73 H GLU 73 20.264 10.557 6.578 1770 HA GLU 73 HA GLU 73 18.307 9.132 4.974 1771 1HB GLU 73 1HB GLU 73 17.961 11.102 7.292 1772 2HB GLU 73 2HB GLU 73 16.688 10.092 6.607 1773 1HG GLU 73 1HG GLU 73 19.224 9.044 7.956 1774 2HG GLU 73 2HG GLU 73 17.625 9.151 8.697 1775 H THR 74 H THR 74 18.868 12.602 5.711 1776 HA THR 74 HA THR 74 16.636 13.611 4.411 1777 HB THR 74 HB THR 74 18.275 15.742 4.451 1778 HG1 THR 74 HG1 THR 74 20.088 14.252 4.888 1779 1HG2 THR 74 1HG2 THR 74 16.334 15.414 5.951 1780 2HG2 THR 74 2HG2 THR 74 17.279 14.278 6.943 1781 3HG2 THR 74 3HG2 THR 74 17.744 15.989 6.861 1782 H GLU 75 H GLU 75 19.916 13.013 3.008 1783 HA GLU 75 HA GLU 75 19.508 14.455 0.635 1784 1HB GLU 75 1HB GLU 75 21.071 12.861 -0.460 1785 2HB GLU 75 2HB GLU 75 21.685 13.625 1.013 1786 1HG GLU 75 1HG GLU 75 21.333 11.608 2.294 1787 2HG GLU 75 2HG GLU 75 20.492 10.826 0.966 1788 H PHE 76 H PHE 76 18.020 11.386 1.557 1789 HA PHE 76 HA PHE 76 16.729 11.248 -1.141 1790 1HB PHE 76 1HB PHE 76 16.346 9.193 0.997 1791 2HB PHE 76 2HB PHE 76 16.225 9.038 -0.749 1792 HD1 PHE 76 HD1 PHE 76 18.726 9.885 -1.888 1793 HD2 PHE 76 HD2 PHE 76 18.083 8.024 1.947 1794 HE1 PHE 76 HE1 PHE 76 21.134 9.342 -1.730 1795 HE2 PHE 76 HE2 PHE 76 20.459 7.330 1.997 1796 HZ PHE 76 HZ PHE 76 21.976 7.955 0.166 1797 H LEU 77 H LEU 77 15.945 11.181 2.383 1798 HA LEU 77 HA LEU 77 13.131 11.217 1.824 1799 1HB LEU 77 1HB LEU 77 14.604 11.698 4.434 1800 2HB LEU 77 2HB LEU 77 12.862 11.467 4.269 1801 HG LEU 77 HG LEU 77 15.018 9.403 3.679 1802 1HD1 LEU 77 1HD1 LEU 77 13.988 8.208 5.552 1803 2HD1 LEU 77 2HD1 LEU 77 14.432 9.840 6.080 1804 3HD1 LEU 77 3HD1 LEU 77 12.740 9.458 5.712 1805 1HD2 LEU 77 1HD2 LEU 77 13.253 9.007 2.038 1806 2HD2 LEU 77 2HD2 LEU 77 13.071 7.830 3.338 1807 3HD2 LEU 77 3HD2 LEU 77 11.992 9.235 3.276 1808 H ARG 78 H ARG 78 15.291 13.939 1.886 1809 HA ARG 78 HA ARG 78 13.756 15.928 3.028 1810 1HB ARG 78 1HB ARG 78 15.938 16.333 2.204 1811 2HB ARG 78 2HB ARG 78 15.499 15.998 0.526 1812 1HG ARG 78 1HG ARG 78 14.159 18.228 2.094 1813 2HG ARG 78 2HG ARG 78 15.778 18.462 1.441 1814 1HD ARG 78 1HD ARG 78 15.060 18.747 -0.685 1815 2HD ARG 78 2HD ARG 78 13.990 17.367 -0.621 1816 HE ARG 78 HE ARG 78 12.203 18.665 -0.007 1817 1HH1 ARG 78 2HH2 ARG 78 15.114 20.674 0.214 1818 2HH1 ARG 78 1HH2 ARG 78 14.215 22.136 0.521 1819 1HH2 ARG 78 1HH1 ARG 78 11.094 20.426 0.492 1820 2HH2 ARG 78 2HH1 ARG 78 11.827 22.020 0.644 1821 H LEU 79 H LEU 79 13.291 14.563 -0.249 1822 HA LEU 79 HA LEU 79 11.088 16.336 -0.836 1823 1HB LEU 79 1HB LEU 79 10.620 14.721 -2.718 1824 2HB LEU 79 2HB LEU 79 12.099 15.673 -2.717 1825 HG LEU 79 HG LEU 79 13.443 13.738 -2.053 1826 1HD1 LEU 79 1HD1 LEU 79 10.776 12.252 -2.090 1827 2HD1 LEU 79 2HD1 LEU 79 12.359 11.453 -2.184 1828 3HD1 LEU 79 3HD1 LEU 79 11.951 12.363 -0.753 1829 1HD2 LEU 79 1HD2 LEU 79 13.098 14.268 -4.407 1830 2HD2 LEU 79 2HD2 LEU 79 13.216 12.520 -4.176 1831 3HD2 LEU 79 3HD2 LEU 79 11.630 13.275 -4.446 1832 H LYS 80 H LYS 80 11.258 13.308 0.950 1833 HA LYS 80 HA LYS 80 8.418 12.709 0.764 1834 1HB LYS 80 1HB LYS 80 10.128 10.972 1.249 1835 2HB LYS 80 2HB LYS 80 10.540 11.795 2.752 1836 1HG LYS 80 1HG LYS 80 9.200 9.959 3.287 1837 2HG LYS 80 2HG LYS 80 8.246 11.405 3.622 1838 1HD LYS 80 1HD LYS 80 6.943 11.092 1.579 1839 2HD LYS 80 2HD LYS 80 7.992 9.769 1.048 1840 1HE LYS 80 1HE LYS 80 6.268 9.730 3.577 1841 2HE LYS 80 2HE LYS 80 5.816 8.992 2.034 1842 1HZ LYS 80 1HZ LYS 80 7.730 7.579 2.203 1843 2HZ LYS 80 2HZ LYS 80 8.134 8.238 3.658 1844 3HZ LYS 80 3HZ LYS 80 6.735 7.390 3.502 1845 H ARG 81 H ARG 81 10.665 14.248 3.108 1846 HA ARG 81 HA ARG 81 8.728 15.114 5.000 1847 1HB ARG 81 1HB ARG 81 11.202 16.691 4.179 1848 2HB ARG 81 2HB ARG 81 10.297 16.804 5.686 1849 1HG ARG 81 1HG ARG 81 12.091 14.536 4.764 1850 2HG ARG 81 2HG ARG 81 12.302 15.613 6.138 1851 1HD ARG 81 1HD ARG 81 10.295 14.610 7.220 1852 2HD ARG 81 2HD ARG 81 10.134 13.492 5.837 1853 HE ARG 81 HE ARG 81 12.769 13.300 6.857 1854 1HH1 ARG 81 1HH2 ARG 81 9.453 12.497 7.744 1855 2HH1 ARG 81 2HH2 ARG 81 9.885 11.120 8.722 1856 1HH2 ARG 81 1HH1 ARG 81 13.366 11.494 8.124 1857 2HH2 ARG 81 2HH1 ARG 81 12.155 10.530 8.923 1858 H THR 82 H THR 82 9.862 16.677 1.984 1859 HA THR 82 HA THR 82 8.185 18.967 2.189 1860 HB THR 82 HB THR 82 9.085 17.607 -0.384 1861 HG1 THR 82 HG1 THR 82 10.810 18.018 1.124 1862 1HG2 THR 82 1HG2 THR 82 7.461 19.438 -0.742 1863 2HG2 THR 82 2HG2 THR 82 8.439 20.513 0.281 1864 3HG2 THR 82 3HG2 THR 82 9.086 19.916 -1.261 1865 H ARG 83 H ARG 83 7.549 15.762 0.605 1866 HA ARG 83 HA ARG 83 4.997 16.463 -0.380 1867 1HB ARG 83 1HB ARG 83 6.337 13.830 0.281 1868 2HB ARG 83 2HB ARG 83 4.696 13.917 -0.374 1869 1HG ARG 83 1HG ARG 83 5.357 14.825 -2.414 1870 2HG ARG 83 2HG ARG 83 6.880 15.446 -1.780 1871 1HD ARG 83 1HD ARG 83 7.211 13.593 -3.302 1872 2HD ARG 83 2HD ARG 83 7.844 13.231 -1.684 1873 HE ARG 83 HE ARG 83 5.268 12.171 -1.697 1874 1HH1 ARG 83 2HH2 ARG 83 8.231 11.737 -3.616 1875 2HH1 ARG 83 1HH2 ARG 83 7.825 10.124 -4.111 1876 1HH2 ARG 83 1HH1 ARG 83 4.899 9.872 -2.149 1877 2HH2 ARG 83 2HH1 ARG 83 5.939 9.105 -3.304 1878 H LEU 84 H LEU 84 5.938 15.138 2.833 1879 HA LEU 84 HA LEU 84 3.144 15.068 3.730 1880 1HB LEU 84 1HB LEU 84 5.861 14.922 5.055 1881 2HB LEU 84 2HB LEU 84 4.457 15.290 6.045 1882 HG LEU 84 HG LEU 84 5.070 12.914 6.063 1883 1HD1 LEU 84 1HD1 LEU 84 2.827 12.031 5.912 1884 2HD1 LEU 84 2HD1 LEU 84 2.763 13.667 6.588 1885 3HD1 LEU 84 3HD1 LEU 84 2.291 13.379 4.899 1886 1HD2 LEU 84 1HD2 LEU 84 5.783 12.632 3.716 1887 2HD2 LEU 84 2HD2 LEU 84 4.549 11.451 4.187 1888 3HD2 LEU 84 3HD2 LEU 84 4.098 12.840 3.181 1889 H GLY 85 H GLY 85 5.797 17.442 3.869 1890 1HA GLY 85 1HA GLY 85 4.674 19.343 5.567 1891 2HA GLY 85 2HA GLY 85 5.846 19.674 4.278 1892 H LEU 86 H LEU 86 4.286 18.966 2.026 1893 HA LEU 86 HA LEU 86 2.776 21.336 1.676 1894 1HB LEU 86 1HB LEU 86 3.936 20.058 -0.127 1895 2HB LEU 86 2HB LEU 86 2.698 18.799 -0.019 1896 HG LEU 86 HG LEU 86 0.983 20.329 -0.763 1897 1HD1 LEU 86 1HD1 LEU 86 1.623 22.485 0.193 1898 2HD1 LEU 86 2HD1 LEU 86 3.142 22.487 -0.737 1899 3HD1 LEU 86 3HD1 LEU 86 1.577 22.652 -1.557 1900 1HD2 LEU 86 1HD2 LEU 86 1.875 20.872 -3.049 1901 2HD2 LEU 86 2HD2 LEU 86 3.507 20.507 -2.465 1902 3HD2 LEU 86 3HD2 LEU 86 2.260 19.240 -2.511 1903 H GLU 87 H GLU 87 1.853 18.299 3.118 1904 HA GLU 87 HA GLU 87 -0.119 17.329 3.625 1905 1HB GLU 87 1HB GLU 87 -0.885 20.233 4.152 1906 2HB GLU 87 2HB GLU 87 -1.721 18.805 4.785 1907 1HG GLU 87 1HG GLU 87 0.401 18.086 5.912 1908 2HG GLU 87 2HG GLU 87 1.168 19.586 5.375 Start of MODEL 2 1 1H SER 1 1H SER 1 9.517 3.599 -11.917 2 2H SER 1 2H SER 1 10.014 2.410 -12.957 3 3H SER 1 3H SER 1 10.632 3.924 -13.090 4 HA SER 1 HA SER 1 8.554 4.789 -13.819 5 1HB SER 1 1HB SER 1 8.339 3.418 -15.941 6 2HB SER 1 2HB SER 1 10.003 3.939 -15.571 7 HG SER 1 HG SER 1 9.241 1.489 -15.989 8 H GLU 2 H GLU 2 8.316 1.288 -13.923 9 HA GLU 2 HA GLU 2 5.601 1.055 -14.281 10 1HB GLU 2 1HB GLU 2 7.203 -0.932 -12.618 11 2HB GLU 2 2HB GLU 2 5.776 -1.250 -13.619 12 1HG GLU 2 1HG GLU 2 8.618 -0.618 -14.517 13 2HG GLU 2 2HG GLU 2 7.670 -2.068 -14.819 14 H LEU 3 H LEU 3 7.247 0.936 -11.099 15 HA LEU 3 HA LEU 3 4.828 0.740 -9.579 16 1HB LEU 3 1HB LEU 3 7.507 1.915 -8.746 17 2HB LEU 3 2HB LEU 3 6.169 1.465 -7.667 18 HG LEU 3 HG LEU 3 7.837 -0.429 -9.384 19 1HD1 LEU 3 1HD1 LEU 3 8.839 0.451 -7.237 20 2HD1 LEU 3 2HD1 LEU 3 7.452 -0.217 -6.363 21 3HD1 LEU 3 3HD1 LEU 3 8.562 -1.301 -7.228 22 1HD2 LEU 3 1HD2 LEU 3 5.402 -1.016 -7.675 23 2HD2 LEU 3 2HD2 LEU 3 5.603 -1.348 -9.414 24 3HD2 LEU 3 3HD2 LEU 3 6.554 -2.248 -8.235 25 H GLU 4 H GLU 4 6.589 3.574 -10.854 26 HA GLU 4 HA GLU 4 5.098 5.545 -9.392 27 1HB GLU 4 1HB GLU 4 6.152 5.978 -12.201 28 2HB GLU 4 2HB GLU 4 5.947 7.150 -10.906 29 1HG GLU 4 1HG GLU 4 8.029 4.922 -10.973 30 2HG GLU 4 2HG GLU 4 8.307 6.593 -11.402 31 H LYS 5 H LYS 5 4.636 3.930 -12.514 32 HA LYS 5 HA LYS 5 2.365 5.432 -13.353 33 1HB LYS 5 1HB LYS 5 3.648 4.147 -14.935 34 2HB LYS 5 2HB LYS 5 3.282 2.636 -14.101 35 1HG LYS 5 1HG LYS 5 1.969 2.891 -16.131 36 2HG LYS 5 2HG LYS 5 0.925 2.783 -14.713 37 1HD LYS 5 1HD LYS 5 0.586 5.237 -14.730 38 2HD LYS 5 2HD LYS 5 1.694 5.401 -16.103 39 1HE LYS 5 1HE LYS 5 -0.943 3.847 -16.092 40 2HE LYS 5 2HE LYS 5 -0.716 5.480 -16.736 41 1HZ LYS 5 1HZ LYS 5 0.853 4.587 -18.302 42 2HZ LYS 5 2HZ LYS 5 0.603 3.059 -17.737 43 3HZ LYS 5 3HZ LYS 5 -0.626 3.878 -18.463 44 H ALA 6 H ALA 6 2.655 2.225 -11.788 45 HA ALA 6 HA ALA 6 -0.062 1.653 -11.340 46 1HB ALA 6 1HB ALA 6 1.757 0.064 -10.977 47 2HB ALA 6 2HB ALA 6 2.411 1.055 -9.664 48 3HB ALA 6 3HB ALA 6 0.843 0.252 -9.463 49 H VAL 7 H VAL 7 2.223 3.428 -9.248 50 HA VAL 7 HA VAL 7 0.460 4.012 -7.126 51 HB VAL 7 HB VAL 7 3.069 5.135 -8.160 52 1HG1 VAL 7 1HG1 VAL 7 3.286 6.422 -6.091 53 2HG1 VAL 7 2HG1 VAL 7 2.103 7.100 -7.227 54 3HG1 VAL 7 3HG1 VAL 7 1.553 6.203 -5.789 55 1HG2 VAL 7 1HG2 VAL 7 2.285 3.750 -5.557 56 2HG2 VAL 7 2HG2 VAL 7 2.939 2.900 -6.956 57 3HG2 VAL 7 3HG2 VAL 7 3.932 4.105 -6.119 58 H VAL 8 H VAL 8 1.352 6.195 -9.927 59 HA VAL 8 HA VAL 8 -0.534 8.160 -9.040 60 HB VAL 8 HB VAL 8 -0.343 9.254 -11.145 61 1HG1 VAL 8 1HG1 VAL 8 1.411 9.568 -9.457 62 2HG1 VAL 8 2HG1 VAL 8 2.367 8.258 -10.178 63 3HG1 VAL 8 3HG1 VAL 8 2.048 9.737 -11.102 64 1HG2 VAL 8 1HG2 VAL 8 1.264 6.888 -12.125 65 2HG2 VAL 8 2HG2 VAL 8 -0.326 7.386 -12.730 66 3HG2 VAL 8 3HG2 VAL 8 1.082 8.431 -12.969 67 H ALA 9 H ALA 9 -0.917 5.284 -11.138 68 HA ALA 9 HA ALA 9 -3.581 5.838 -11.939 69 1HB ALA 9 1HB ALA 9 -3.834 3.459 -12.292 70 2HB ALA 9 2HB ALA 9 -2.244 3.990 -12.872 71 3HB ALA 9 3HB ALA 9 -2.388 3.102 -11.340 72 H LEU 10 H LEU 10 -2.389 4.154 -8.926 73 HA LEU 10 HA LEU 10 -4.960 3.730 -7.793 74 1HB LEU 10 1HB LEU 10 -2.163 3.981 -6.710 75 2HB LEU 10 2HB LEU 10 -3.473 4.314 -5.584 76 HG LEU 10 HG LEU 10 -4.510 2.110 -6.131 77 1HD1 LEU 10 1HD1 LEU 10 -3.347 1.715 -8.328 78 2HD1 LEU 10 2HD1 LEU 10 -1.810 1.570 -7.443 79 3HD1 LEU 10 3HD1 LEU 10 -3.108 0.391 -7.167 80 1HD2 LEU 10 1HD2 LEU 10 -3.205 2.464 -4.112 81 2HD2 LEU 10 2HD2 LEU 10 -2.841 0.857 -4.763 82 3HD2 LEU 10 3HD2 LEU 10 -1.684 2.182 -4.993 83 H ILE 11 H ILE 11 -2.762 6.537 -7.409 84 HA ILE 11 HA ILE 11 -4.442 7.985 -5.631 85 HB ILE 11 HB ILE 11 -2.338 8.931 -7.618 86 1HG1 ILE 11 1HG1 ILE 11 -2.191 8.554 -4.596 87 2HG1 ILE 11 2HG1 ILE 11 -1.617 7.364 -5.761 88 1HG2 ILE 11 1HG2 ILE 11 -3.756 10.839 -7.095 89 2HG2 ILE 11 2HG2 ILE 11 -3.654 10.489 -5.351 90 3HG2 ILE 11 3HG2 ILE 11 -2.238 11.036 -6.257 91 1HD1 ILE 11 1HD1 ILE 11 0.284 8.620 -5.011 92 2HD1 ILE 11 2HD1 ILE 11 -0.032 9.067 -6.695 93 3HD1 ILE 11 3HD1 ILE 11 -0.481 10.163 -5.369 94 H ASP 12 H ASP 12 -4.119 8.264 -9.194 95 HA ASP 12 HA ASP 12 -6.043 10.320 -9.488 96 1HB ASP 12 1HB ASP 12 -4.336 9.792 -11.179 97 2HB ASP 12 2HB ASP 12 -5.114 8.236 -11.508 98 H VAL 13 H VAL 13 -6.369 6.756 -9.998 99 HA VAL 13 HA VAL 13 -9.089 6.785 -10.806 100 HB VAL 13 HB VAL 13 -7.409 4.651 -9.447 101 1HG1 VAL 13 1HG1 VAL 13 -10.186 4.421 -10.681 102 2HG1 VAL 13 2HG1 VAL 13 -9.138 3.047 -10.281 103 3HG1 VAL 13 3HG1 VAL 13 -9.751 4.086 -8.989 104 1HG2 VAL 13 1HG2 VAL 13 -7.280 3.747 -11.720 105 2HG2 VAL 13 2HG2 VAL 13 -8.412 4.987 -12.311 106 3HG2 VAL 13 3HG2 VAL 13 -6.782 5.443 -11.805 107 H PHE 14 H PHE 14 -7.604 6.323 -7.559 108 HA PHE 14 HA PHE 14 -9.977 6.103 -6.076 109 1HB PHE 14 1HB PHE 14 -7.758 5.749 -5.134 110 2HB PHE 14 2HB PHE 14 -7.344 7.447 -5.360 111 HD1 PHE 14 HD1 PHE 14 -9.441 5.067 -3.441 112 HD2 PHE 14 HD2 PHE 14 -8.281 9.197 -3.911 113 HE1 PHE 14 HE1 PHE 14 -10.332 5.586 -1.181 114 HE2 PHE 14 HE2 PHE 14 -9.246 9.709 -1.711 115 HZ PHE 14 HZ PHE 14 -10.203 7.883 -0.290 116 H HIS 15 H HIS 15 -8.173 9.130 -6.967 117 HA HIS 15 HA HIS 15 -10.085 10.886 -5.829 118 1HB HIS 15 1HB HIS 15 -8.110 11.312 -8.080 119 2HB HIS 15 2HB HIS 15 -9.140 12.583 -7.418 120 HD1 HIS 15 HD1 HIS 15 -8.907 12.279 -4.361 121 HD2 HIS 15 HD2 HIS 15 -5.751 11.781 -7.093 122 HE1 HIS 15 HE1 HIS 15 -6.773 12.791 -3.094 123 H GLN 16 H GLN 16 -10.081 9.369 -9.097 124 HA GLN 16 HA GLN 16 -12.109 11.013 -10.182 125 1HB GLN 16 1HB GLN 16 -11.809 8.025 -10.731 126 2HB GLN 16 2HB GLN 16 -12.697 9.210 -11.684 127 1HG GLN 16 1HG GLN 16 -9.728 8.810 -11.512 128 2HG GLN 16 2HG GLN 16 -10.769 8.921 -12.912 129 1HE2 GLN 16 1HE2 GLN 16 -8.894 10.693 -10.558 130 2HE2 GLN 16 2HE2 GLN 16 -9.071 12.279 -11.317 131 H TYR 17 H TYR 17 -12.472 8.048 -8.208 132 HA TYR 17 HA TYR 17 -15.385 8.303 -8.108 133 1HB TYR 17 1HB TYR 17 -13.428 6.644 -6.489 134 2HB TYR 17 2HB TYR 17 -15.183 6.556 -6.343 135 HD1 TYR 17 HD1 TYR 17 -12.315 5.413 -8.244 136 HD2 TYR 17 HD2 TYR 17 -16.585 5.949 -8.378 137 HE1 TYR 17 HE1 TYR 17 -12.464 3.790 -10.121 138 HE2 TYR 17 HE2 TYR 17 -16.735 4.305 -10.225 139 HH TYR 17 HH TYR 17 -15.591 2.825 -11.541 140 H SER 18 H SER 18 -12.748 8.944 -5.771 141 HA SER 18 HA SER 18 -14.408 9.739 -3.641 142 1HB SER 18 1HB SER 18 -11.539 10.537 -4.201 143 2HB SER 18 2HB SER 18 -12.356 10.582 -2.630 144 HG SER 18 HG SER 18 -11.583 8.364 -4.194 145 H GLY 19 H GLY 19 -13.480 11.613 -6.487 146 1HA GLY 19 1HA GLY 19 -13.872 14.240 -5.347 147 2HA GLY 19 2HA GLY 19 -13.906 13.767 -7.055 148 H ARG 20 H ARG 20 -15.993 11.596 -6.346 149 HA ARG 20 HA ARG 20 -18.183 13.329 -7.138 150 1HB ARG 20 1HB ARG 20 -18.247 10.333 -6.679 151 2HB ARG 20 2HB ARG 20 -19.338 11.330 -7.651 152 1HG ARG 20 1HG ARG 20 -17.275 11.940 -9.083 153 2HG ARG 20 2HG ARG 20 -16.378 10.776 -8.166 154 1HD ARG 20 1HD ARG 20 -17.155 9.882 -10.323 155 2HD ARG 20 2HD ARG 20 -17.552 8.902 -8.929 156 HE ARG 20 HE ARG 20 -19.403 10.551 -10.589 157 1HH1 ARG 20 1HH2 ARG 20 -19.092 8.280 -7.847 158 2HH1 ARG 20 2HH2 ARG 20 -20.682 7.634 -8.044 159 1HH2 ARG 20 2HH1 ARG 20 -21.552 9.834 -10.694 160 2HH2 ARG 20 1HH1 ARG 20 -22.147 8.630 -9.581 161 H GLU 21 H GLU 21 -17.646 10.984 -4.438 162 HA GLU 21 HA GLU 21 -19.159 12.798 -2.678 163 1HB GLU 21 1HB GLU 21 -19.964 9.878 -2.785 164 2HB GLU 21 2HB GLU 21 -20.636 11.179 -1.793 165 1HG GLU 21 1HG GLU 21 -21.454 12.313 -3.847 166 2HG GLU 21 2HG GLU 21 -20.898 10.928 -4.812 167 H GLY 22 H GLY 22 -17.531 13.232 -1.391 168 1HA GLY 22 1HA GLY 22 -16.639 12.356 0.800 169 2HA GLY 22 2HA GLY 22 -15.904 11.050 -0.118 170 H ASP 23 H ASP 23 -16.205 14.462 -1.052 171 HA ASP 23 HA ASP 23 -14.646 15.944 -1.833 172 1HB ASP 23 1HB ASP 23 -14.074 15.593 1.132 173 2HB ASP 23 2HB ASP 23 -13.662 17.019 0.171 174 H LYS 24 H LYS 24 -13.516 13.825 -2.911 175 HA LYS 24 HA LYS 24 -11.611 13.453 -4.038 176 1HB LYS 24 1HB LYS 24 -10.222 15.558 -2.340 177 2HB LYS 24 2HB LYS 24 -9.627 14.818 -3.822 178 1HG LYS 24 1HG LYS 24 -11.516 15.768 -5.099 179 2HG LYS 24 2HG LYS 24 -12.150 16.519 -3.618 180 1HD LYS 24 1HD LYS 24 -10.041 17.803 -3.356 181 2HD LYS 24 2HD LYS 24 -9.415 17.083 -4.851 182 1HE LYS 24 1HE LYS 24 -11.278 18.093 -6.137 183 2HE LYS 24 2HE LYS 24 -11.955 18.775 -4.643 184 1HZ LYS 24 1HZ LYS 24 -10.674 20.371 -5.853 185 2HZ LYS 24 2HZ LYS 24 -9.964 20.063 -4.399 186 3HZ LYS 24 3HZ LYS 24 -9.326 19.428 -5.780 187 H HIS 25 H HIS 25 -11.049 13.642 -0.515 188 HA HIS 25 HA HIS 25 -8.874 11.641 -0.712 189 1HB HIS 25 1HB HIS 25 -9.805 13.440 1.522 190 2HB HIS 25 2HB HIS 25 -8.471 12.284 1.622 191 HD1 HIS 25 HD1 HIS 25 -6.323 12.762 -0.074 192 HD2 HIS 25 HD2 HIS 25 -9.319 15.722 0.153 193 HE1 HIS 25 HE1 HIS 25 -5.349 14.860 -1.090 194 H LYS 26 H LYS 26 -12.301 11.498 -0.128 195 HA LYS 26 HA LYS 26 -11.920 8.875 1.178 196 1HB LYS 26 1HB LYS 26 -14.209 10.724 1.916 197 2HB LYS 26 2HB LYS 26 -13.621 9.277 2.734 198 1HG LYS 26 1HG LYS 26 -12.871 10.876 4.167 199 2HG LYS 26 2HG LYS 26 -11.443 10.706 3.148 200 1HD LYS 26 1HD LYS 26 -12.166 12.749 1.861 201 2HD LYS 26 2HD LYS 26 -13.624 12.839 2.847 202 1HE LYS 26 1HE LYS 26 -12.262 13.197 4.871 203 2HE LYS 26 2HE LYS 26 -10.772 13.028 3.919 204 1HZ LYS 26 1HZ LYS 26 -11.341 15.308 4.268 205 2HZ LYS 26 2HZ LYS 26 -11.437 14.949 2.661 206 3HZ LYS 26 3HZ LYS 26 -12.813 15.107 3.555 207 H LEU 27 H LEU 27 -13.598 7.377 0.967 208 HA LEU 27 HA LEU 27 -15.387 7.765 -1.413 209 1HB LEU 27 1HB LEU 27 -14.203 5.269 -0.133 210 2HB LEU 27 2HB LEU 27 -15.367 5.247 -1.455 211 HG LEU 27 HG LEU 27 -12.626 6.546 -1.681 212 1HD1 LEU 27 1HD1 LEU 27 -12.418 4.125 -1.156 213 2HD1 LEU 27 2HD1 LEU 27 -13.559 3.752 -2.466 214 3HD1 LEU 27 3HD1 LEU 27 -11.968 4.441 -2.844 215 1HD2 LEU 27 1HD2 LEU 27 -12.986 6.289 -4.094 216 2HD2 LEU 27 2HD2 LEU 27 -14.564 5.536 -3.814 217 3HD2 LEU 27 3HD2 LEU 27 -14.305 7.251 -3.403 218 H LYS 28 H LYS 28 -17.537 7.938 -0.844 219 HA LYS 28 HA LYS 28 -18.583 7.077 1.746 220 1HB LYS 28 1HB LYS 28 -19.853 7.845 -0.904 221 2HB LYS 28 2HB LYS 28 -20.815 7.462 0.525 222 1HG LYS 28 1HG LYS 28 -18.646 9.563 0.643 223 2HG LYS 28 2HG LYS 28 -20.251 9.901 -0.034 224 1HD LYS 28 1HD LYS 28 -21.319 9.215 2.103 225 2HD LYS 28 2HD LYS 28 -19.720 8.872 2.790 226 1HE LYS 28 1HE LYS 28 -19.100 11.299 2.309 227 2HE LYS 28 2HE LYS 28 -20.786 11.577 1.850 228 1HZ LYS 28 1HZ LYS 28 -19.835 10.663 4.476 229 2HZ LYS 28 2HZ LYS 28 -20.376 12.172 4.109 230 3HZ LYS 28 3HZ LYS 28 -21.416 10.893 4.065 231 H LYS 29 H LYS 29 -20.568 5.467 1.647 232 HA LYS 29 HA LYS 29 -19.734 2.878 0.846 233 1HB LYS 29 1HB LYS 29 -22.050 2.203 1.283 234 2HB LYS 29 2HB LYS 29 -21.437 3.247 2.548 235 1HG LYS 29 1HG LYS 29 -22.672 5.190 1.551 236 2HG LYS 29 2HG LYS 29 -23.332 4.090 0.319 237 1HD LYS 29 1HD LYS 29 -24.443 2.754 2.019 238 2HD LYS 29 2HD LYS 29 -23.665 3.664 3.320 239 1HE LYS 29 1HE LYS 29 -26.016 4.356 2.974 240 2HE LYS 29 2HE LYS 29 -24.881 5.694 2.734 241 1HZ LYS 29 1HZ LYS 29 -26.088 4.098 0.575 242 2HZ LYS 29 2HZ LYS 29 -26.587 5.595 1.055 243 3HZ LYS 29 3HZ LYS 29 -25.094 5.398 0.390 244 H SER 30 H SER 30 -21.637 5.307 -0.963 245 HA SER 30 HA SER 30 -22.328 3.691 -3.190 246 1HB SER 30 1HB SER 30 -22.244 6.153 -4.208 247 2HB SER 30 2HB SER 30 -23.455 5.745 -2.974 248 HG SER 30 HG SER 30 -22.152 7.708 -2.586 249 H GLU 31 H GLU 31 -19.562 5.975 -2.590 250 HA GLU 31 HA GLU 31 -18.425 5.446 -5.163 251 1HB GLU 31 1HB GLU 31 -16.994 6.533 -2.721 252 2HB GLU 31 2HB GLU 31 -16.501 6.669 -4.415 253 1HG GLU 31 1HG GLU 31 -18.900 7.961 -3.102 254 2HG GLU 31 2HG GLU 31 -17.482 8.760 -3.801 255 H LEU 32 H LEU 32 -17.711 4.144 -1.953 256 HA LEU 32 HA LEU 32 -15.508 2.521 -2.585 257 1HB LEU 32 1HB LEU 32 -16.281 3.162 -0.336 258 2HB LEU 32 2HB LEU 32 -17.710 2.127 -0.501 259 HG LEU 32 HG LEU 32 -15.837 1.295 0.932 260 1HD1 LEU 32 1HD1 LEU 32 -17.552 -0.240 0.071 261 2HD1 LEU 32 2HD1 LEU 32 -16.529 -0.604 -1.336 262 3HD1 LEU 32 3HD1 LEU 32 -15.970 -1.008 0.285 263 1HD2 LEU 32 1HD2 LEU 32 -14.352 0.742 -1.661 264 2HD2 LEU 32 2HD2 LEU 32 -13.948 2.031 -0.502 265 3HD2 LEU 32 3HD2 LEU 32 -13.844 0.331 -0.015 266 H LYS 33 H LYS 33 -19.032 1.745 -2.549 267 HA LYS 33 HA LYS 33 -18.872 -0.926 -3.369 268 1HB LYS 33 1HB LYS 33 -20.906 0.013 -2.629 269 2HB LYS 33 2HB LYS 33 -20.915 1.285 -3.822 270 1HG LYS 33 1HG LYS 33 -21.254 -0.463 -5.634 271 2HG LYS 33 2HG LYS 33 -21.247 -1.707 -4.376 272 1HD LYS 33 1HD LYS 33 -23.203 -0.264 -3.326 273 2HD LYS 33 2HD LYS 33 -23.271 0.505 -4.914 274 1HE LYS 33 1HE LYS 33 -23.605 -2.461 -4.266 275 2HE LYS 33 2HE LYS 33 -24.879 -1.356 -4.795 276 1HZ LYS 33 1HZ LYS 33 -23.672 -1.135 -6.882 277 2HZ LYS 33 2HZ LYS 33 -22.556 -2.237 -6.360 278 3HZ LYS 33 3HZ LYS 33 -24.118 -2.695 -6.578 279 H GLU 34 H GLU 34 -19.356 1.975 -5.498 280 HA GLU 34 HA GLU 34 -19.277 0.294 -7.805 281 1HB GLU 34 1HB GLU 34 -19.269 2.334 -9.151 282 2HB GLU 34 2HB GLU 34 -20.463 2.420 -7.846 283 1HG GLU 34 1HG GLU 34 -18.821 3.772 -6.519 284 2HG GLU 34 2HG GLU 34 -17.738 3.786 -7.904 285 H LEU 35 H LEU 35 -16.770 2.237 -6.177 286 HA LEU 35 HA LEU 35 -14.614 1.918 -7.942 287 1HB LEU 35 1HB LEU 35 -14.515 3.364 -6.076 288 2HB LEU 35 2HB LEU 35 -14.861 2.079 -4.929 289 HG LEU 35 HG LEU 35 -12.566 3.048 -4.937 290 1HD1 LEU 35 1HD1 LEU 35 -12.522 0.036 -5.298 291 2HD1 LEU 35 2HD1 LEU 35 -11.464 1.047 -4.320 292 3HD1 LEU 35 3HD1 LEU 35 -13.158 0.877 -3.861 293 1HD2 LEU 35 1HD2 LEU 35 -12.211 3.106 -7.396 294 2HD2 LEU 35 2HD2 LEU 35 -10.903 2.340 -6.492 295 3HD2 LEU 35 3HD2 LEU 35 -12.061 1.339 -7.393 296 H ILE 36 H ILE 36 -15.579 -0.323 -5.211 297 HA ILE 36 HA ILE 36 -13.548 -2.209 -5.962 298 HB ILE 36 HB ILE 36 -16.054 -2.616 -4.294 299 1HG1 ILE 36 1HG1 ILE 36 -13.098 -2.179 -3.606 300 2HG1 ILE 36 2HG1 ILE 36 -14.409 -1.023 -3.368 301 1HG2 ILE 36 1HG2 ILE 36 -15.305 -4.791 -5.233 302 2HG2 ILE 36 2HG2 ILE 36 -13.640 -4.439 -4.724 303 3HG2 ILE 36 3HG2 ILE 36 -14.906 -4.703 -3.526 304 1HD1 ILE 36 1HD1 ILE 36 -13.984 -1.965 -1.247 305 2HD1 ILE 36 2HD1 ILE 36 -15.496 -2.715 -1.805 306 3HD1 ILE 36 3HD1 ILE 36 -13.963 -3.616 -1.864 307 H ASN 37 H ASN 37 -17.062 -2.156 -6.686 308 HA ASN 37 HA ASN 37 -17.236 -4.533 -8.182 309 1HB ASN 37 1HB ASN 37 -18.692 -1.869 -8.392 310 2HB ASN 37 2HB ASN 37 -19.001 -3.178 -9.544 311 1HD2 ASN 37 2HD2 ASN 37 -19.122 -2.455 -6.012 312 2HD2 ASN 37 1HD2 ASN 37 -20.426 -3.621 -5.729 313 H ASN 38 H ASN 38 -16.421 -1.256 -9.384 314 HA ASN 38 HA ASN 38 -16.132 -2.026 -12.133 315 1HB ASN 38 1HB ASN 38 -15.121 0.385 -10.543 316 2HB ASN 38 2HB ASN 38 -15.047 0.217 -12.304 317 1HD2 ASN 38 1HD2 ASN 38 -17.967 -1.206 -11.669 318 2HD2 ASN 38 2HD2 ASN 38 -18.963 0.232 -11.805 319 H GLU 39 H GLU 39 -13.759 -1.430 -9.471 320 HA GLU 39 HA GLU 39 -11.636 -1.871 -11.416 321 1HB GLU 39 1HB GLU 39 -11.579 -1.059 -8.501 322 2HB GLU 39 2HB GLU 39 -10.149 -1.286 -9.504 323 1HG GLU 39 1HG GLU 39 -12.405 0.667 -10.157 324 2HG GLU 39 2HG GLU 39 -10.848 1.105 -9.449 325 H LEU 40 H LEU 40 -12.868 -3.680 -8.592 326 HA LEU 40 HA LEU 40 -10.563 -5.546 -8.833 327 1HB LEU 40 1HB LEU 40 -12.406 -4.678 -6.663 328 2HB LEU 40 2HB LEU 40 -11.962 -6.371 -6.629 329 HG LEU 40 HG LEU 40 -9.554 -5.782 -6.695 330 1HD1 LEU 40 1HD1 LEU 40 -10.600 -2.940 -6.326 331 2HD1 LEU 40 2HD1 LEU 40 -8.912 -3.462 -6.118 332 3HD1 LEU 40 3HD1 LEU 40 -9.665 -3.543 -7.719 333 1HD2 LEU 40 1HD2 LEU 40 -11.218 -4.588 -4.450 334 2HD2 LEU 40 2HD2 LEU 40 -10.709 -6.281 -4.593 335 3HD2 LEU 40 3HD2 LEU 40 -9.494 -5.017 -4.344 336 H SER 41 H SER 41 -13.049 -5.499 -10.735 337 HA SER 41 HA SER 41 -14.884 -7.359 -10.208 338 1HB SER 41 1HB SER 41 -13.671 -7.141 -12.971 339 2HB SER 41 2HB SER 41 -15.378 -7.255 -12.512 340 HG SER 41 HG SER 41 -15.147 -5.127 -11.591 341 H HIS 42 H HIS 42 -11.572 -8.191 -11.117 342 HA HIS 42 HA HIS 42 -12.307 -11.050 -11.587 343 1HB HIS 42 1HB HIS 42 -9.667 -9.650 -12.098 344 2HB HIS 42 2HB HIS 42 -10.178 -11.241 -12.666 345 HD1 HIS 42 HD1 HIS 42 -10.240 -7.631 -13.662 346 HD2 HIS 42 HD2 HIS 42 -12.438 -11.139 -14.443 347 HE1 HIS 42 HE1 HIS 42 -11.657 -7.166 -15.737 348 H PHE 43 H PHE 43 -11.146 -8.960 -9.189 349 HA PHE 43 HA PHE 43 -9.457 -10.925 -7.756 350 1HB PHE 43 1HB PHE 43 -9.880 -7.971 -7.675 351 2HB PHE 43 2HB PHE 43 -9.538 -8.766 -6.157 352 HD1 PHE 43 HD1 PHE 43 -8.248 -9.184 -9.706 353 HD2 PHE 43 HD2 PHE 43 -7.297 -8.630 -5.539 354 HE1 PHE 43 HE1 PHE 43 -5.835 -9.306 -10.235 355 HE2 PHE 43 HE2 PHE 43 -4.879 -8.700 -6.077 356 HZ PHE 43 HZ PHE 43 -4.146 -9.112 -8.426 357 H LEU 44 H LEU 44 -12.356 -8.871 -7.239 358 HA LEU 44 HA LEU 44 -13.547 -10.914 -5.414 359 1HB LEU 44 1HB LEU 44 -13.409 -7.887 -5.210 360 2HB LEU 44 2HB LEU 44 -14.882 -8.716 -4.716 361 HG LEU 44 HG LEU 44 -13.708 -10.079 -3.114 362 1HD1 LEU 44 1HD1 LEU 44 -11.341 -9.430 -2.450 363 2HD1 LEU 44 2HD1 LEU 44 -11.462 -10.288 -3.982 364 3HD1 LEU 44 3HD1 LEU 44 -11.226 -8.525 -3.974 365 1HD2 LEU 44 1HD2 LEU 44 -13.187 -8.220 -1.510 366 2HD2 LEU 44 2HD2 LEU 44 -13.180 -7.082 -2.872 367 3HD2 LEU 44 3HD2 LEU 44 -14.675 -7.932 -2.426 368 H GLU 45 H GLU 45 -15.812 -11.163 -5.757 369 HA GLU 45 HA GLU 45 -16.674 -10.572 -8.519 370 1HB GLU 45 1HB GLU 45 -18.309 -11.699 -6.208 371 2HB GLU 45 2HB GLU 45 -18.797 -11.641 -7.899 372 1HG GLU 45 1HG GLU 45 -16.409 -13.176 -6.823 373 2HG GLU 45 2HG GLU 45 -17.964 -13.883 -7.278 374 H GLU 46 H GLU 46 -18.838 -9.500 -8.881 375 HA GLU 46 HA GLU 46 -18.790 -6.831 -7.968 376 1HB GLU 46 1HB GLU 46 -20.641 -6.502 -9.364 377 2HB GLU 46 2HB GLU 46 -19.822 -7.857 -10.130 378 1HG GLU 46 1HG GLU 46 -21.416 -9.391 -8.865 379 2HG GLU 46 2HG GLU 46 -22.202 -7.927 -8.252 380 H ILE 47 H ILE 47 -19.998 -5.766 -6.531 381 HA ILE 47 HA ILE 47 -21.028 -7.402 -4.238 382 HB ILE 47 HB ILE 47 -19.724 -4.683 -3.904 383 1HG1 ILE 47 1HG1 ILE 47 -18.477 -7.421 -4.147 384 2HG1 ILE 47 2HG1 ILE 47 -18.027 -5.933 -5.007 385 1HG2 ILE 47 1HG2 ILE 47 -21.218 -5.732 -2.123 386 2HG2 ILE 47 2HG2 ILE 47 -20.063 -7.071 -2.035 387 3HG2 ILE 47 3HG2 ILE 47 -19.558 -5.424 -1.601 388 1HD1 ILE 47 1HD1 ILE 47 -17.544 -6.527 -2.068 389 2HD1 ILE 47 2HD1 ILE 47 -16.370 -6.446 -3.390 390 3HD1 ILE 47 3HD1 ILE 47 -17.224 -4.965 -2.877 391 H LYS 48 H LYS 48 -23.145 -7.280 -4.403 392 HA LYS 48 HA LYS 48 -24.441 -4.981 -5.644 393 1HB LYS 48 1HB LYS 48 -24.909 -7.442 -6.205 394 2HB LYS 48 2HB LYS 48 -25.585 -7.615 -4.600 395 1HG LYS 48 1HG LYS 48 -27.531 -7.169 -5.644 396 2HG LYS 48 2HG LYS 48 -27.079 -5.485 -5.405 397 1HD LYS 48 1HD LYS 48 -26.770 -7.199 -7.890 398 2HD LYS 48 2HD LYS 48 -27.792 -5.766 -7.648 399 1HE LYS 48 1HE LYS 48 -25.748 -4.356 -7.450 400 2HE LYS 48 2HE LYS 48 -24.728 -5.786 -7.746 401 1HZ LYS 48 1HZ LYS 48 -25.713 -6.032 -9.865 402 2HZ LYS 48 2HZ LYS 48 -26.692 -4.723 -9.633 403 3HZ LYS 48 3HZ LYS 48 -25.057 -4.531 -9.716 404 H GLU 49 H GLU 49 -24.920 -6.862 -2.620 405 HA GLU 49 HA GLU 49 -27.035 -5.187 -1.861 406 1HB GLU 49 1HB GLU 49 -25.453 -6.984 0.035 407 2HB GLU 49 2HB GLU 49 -27.126 -6.445 0.187 408 1HG GLU 49 1HG GLU 49 -27.563 -8.509 -0.641 409 2HG GLU 49 2HG GLU 49 -27.327 -7.731 -2.205 410 H GLN 50 H GLN 50 -26.853 -3.104 -1.134 411 HA GLN 50 HA GLN 50 -24.590 -1.760 -0.394 412 1HB GLN 50 1HB GLN 50 -26.837 -0.782 -0.931 413 2HB GLN 50 2HB GLN 50 -27.329 -1.124 0.740 414 1HG GLN 50 1HG GLN 50 -25.421 0.320 1.540 415 2HG GLN 50 2HG GLN 50 -24.958 0.607 -0.144 416 1HE2 GLN 50 1HE2 GLN 50 -27.942 0.803 1.917 417 2HE2 GLN 50 2HE2 GLN 50 -28.437 2.355 1.263 418 H GLU 51 H GLU 51 -26.548 -3.817 1.733 419 HA GLU 51 HA GLU 51 -25.496 -3.021 4.241 420 1HB GLU 51 1HB GLU 51 -27.395 -4.622 3.875 421 2HB GLU 51 2HB GLU 51 -26.228 -5.839 3.315 422 1HG GLU 51 1HG GLU 51 -25.108 -5.754 5.552 423 2HG GLU 51 2HG GLU 51 -26.288 -4.543 6.080 424 H VAL 52 H VAL 52 -24.197 -5.237 1.719 425 HA VAL 52 HA VAL 52 -21.970 -6.109 3.364 426 HB VAL 52 HB VAL 52 -22.458 -6.331 0.364 427 1HG1 VAL 52 1HG1 VAL 52 -20.035 -6.434 0.884 428 2HG1 VAL 52 2HG1 VAL 52 -20.358 -7.649 2.143 429 3HG1 VAL 52 3HG1 VAL 52 -20.665 -8.005 0.434 430 1HG2 VAL 52 1HG2 VAL 52 -24.083 -7.604 1.827 431 2HG2 VAL 52 2HG2 VAL 52 -23.035 -8.657 0.869 432 3HG2 VAL 52 3HG2 VAL 52 -22.702 -8.406 2.595 433 H VAL 53 H VAL 53 -22.412 -3.719 0.674 434 HA VAL 53 HA VAL 53 -19.701 -3.025 0.554 435 HB VAL 53 HB VAL 53 -20.176 -1.382 -0.830 436 1HG1 VAL 53 1HG1 VAL 53 -22.765 -2.940 -1.051 437 2HG1 VAL 53 2HG1 VAL 53 -21.972 -2.019 -2.303 438 3HG1 VAL 53 3HG1 VAL 53 -21.174 -3.451 -1.656 439 1HG2 VAL 53 1HG2 VAL 53 -21.260 0.244 0.480 440 2HG2 VAL 53 2HG2 VAL 53 -22.279 -0.003 -0.938 441 3HG2 VAL 53 3HG2 VAL 53 -22.752 -0.704 0.595 442 H ASP 54 H ASP 54 -22.342 -1.684 2.535 443 HA ASP 54 HA ASP 54 -20.864 0.247 3.971 444 1HB ASP 54 1HB ASP 54 -23.305 0.125 4.046 445 2HB ASP 54 2HB ASP 54 -23.238 -1.448 4.859 446 H LYS 55 H LYS 55 -21.513 -3.259 4.749 447 HA LYS 55 HA LYS 55 -20.145 -3.255 7.187 448 1HB LYS 55 1HB LYS 55 -21.634 -5.068 6.320 449 2HB LYS 55 2HB LYS 55 -20.355 -5.558 5.216 450 1HG LYS 55 1HG LYS 55 -19.069 -5.511 7.747 451 2HG LYS 55 2HG LYS 55 -20.706 -6.013 8.120 452 1HD LYS 55 1HD LYS 55 -19.452 -8.009 7.743 453 2HD LYS 55 2HD LYS 55 -20.517 -7.805 6.348 454 1HE LYS 55 1HE LYS 55 -18.307 -8.511 5.604 455 2HE LYS 55 2HE LYS 55 -18.567 -6.859 5.047 456 1HZ LYS 55 1HZ LYS 55 -16.397 -7.183 5.976 457 2HZ LYS 55 2HZ LYS 55 -17.223 -6.102 6.895 458 3HZ LYS 55 3HZ LYS 55 -17.026 -7.647 7.423 459 H VAL 56 H VAL 56 -18.805 -4.085 3.900 460 HA VAL 56 HA VAL 56 -16.183 -4.568 4.960 461 HB VAL 56 HB VAL 56 -15.286 -4.390 2.738 462 1HG1 VAL 56 1HG1 VAL 56 -16.311 -6.505 3.481 463 2HG1 VAL 56 2HG1 VAL 56 -17.864 -6.020 2.748 464 3HG1 VAL 56 3HG1 VAL 56 -16.433 -6.272 1.733 465 1HG2 VAL 56 1HG2 VAL 56 -16.672 -4.019 0.764 466 2HG2 VAL 56 2HG2 VAL 56 -18.065 -3.677 1.800 467 3HG2 VAL 56 3HG2 VAL 56 -16.673 -2.578 1.790 468 H MET 57 H MET 57 -17.708 -1.507 3.695 469 HA MET 57 HA MET 57 -15.280 -0.066 3.958 470 1HB MET 57 1HB MET 57 -16.353 1.704 3.300 471 2HB MET 57 2HB MET 57 -17.678 0.611 2.928 472 1HG MET 57 1HG MET 57 -18.705 1.221 5.155 473 2HG MET 57 2HG MET 57 -17.363 2.345 5.423 474 1HE MET 57 1HE MET 57 -17.951 5.001 2.710 475 2HE MET 57 2HE MET 57 -16.719 4.112 3.605 476 3HE MET 57 3HE MET 57 -17.342 3.455 2.079 477 H GLU 58 H GLU 58 -17.936 -0.504 6.345 478 HA GLU 58 HA GLU 58 -16.962 0.985 8.486 479 1HB GLU 58 1HB GLU 58 -18.515 -1.593 8.369 480 2HB GLU 58 2HB GLU 58 -18.203 -0.710 9.867 481 1HG GLU 58 1HG GLU 58 -19.456 0.678 7.448 482 2HG GLU 58 2HG GLU 58 -20.336 -0.272 8.632 483 H THR 59 H THR 59 -16.360 -2.380 7.607 484 HA THR 59 HA THR 59 -14.617 -3.153 9.683 485 HB THR 59 HB THR 59 -14.555 -4.011 6.759 486 HG1 THR 59 HG1 THR 59 -16.526 -4.339 7.831 487 1HG2 THR 59 1HG2 THR 59 -13.321 -5.358 9.171 488 2HG2 THR 59 2HG2 THR 59 -13.585 -6.120 7.585 489 3HG2 THR 59 3HG2 THR 59 -12.484 -4.749 7.717 490 H LEU 60 H LEU 60 -13.864 -1.124 6.838 491 HA LEU 60 HA LEU 60 -10.964 -1.128 7.491 492 1HB LEU 60 1HB LEU 60 -12.522 0.388 5.364 493 2HB LEU 60 2HB LEU 60 -10.765 0.242 5.502 494 HG LEU 60 HG LEU 60 -12.633 -2.107 4.981 495 1HD1 LEU 60 1HD1 LEU 60 -10.915 -0.474 3.076 496 2HD1 LEU 60 2HD1 LEU 60 -11.818 -1.956 2.665 497 3HD1 LEU 60 3HD1 LEU 60 -12.687 -0.493 3.141 498 1HD2 LEU 60 1HD2 LEU 60 -9.605 -1.848 4.953 499 2HD2 LEU 60 2HD2 LEU 60 -10.593 -2.802 6.084 500 3HD2 LEU 60 3HD2 LEU 60 -10.532 -3.262 4.383 501 H ASP 61 H ASP 61 -13.764 0.910 7.633 502 HA ASP 61 HA ASP 61 -12.888 3.444 7.708 503 1HB ASP 61 1HB ASP 61 -15.240 2.746 7.606 504 2HB ASP 61 2HB ASP 61 -15.192 2.350 9.335 505 H SER 62 H SER 62 -10.798 2.966 8.916 506 HA SER 62 HA SER 62 -10.700 3.244 11.739 507 1HB SER 62 1HB SER 62 -8.608 4.027 9.674 508 2HB SER 62 2HB SER 62 -8.348 3.726 11.397 509 HG SER 62 HG SER 62 -9.472 1.786 9.608 510 H ASP 63 H ASP 63 -11.386 5.562 9.217 511 HA ASP 63 HA ASP 63 -10.895 7.959 10.768 512 1HB ASP 63 1HB ASP 63 -12.984 7.543 8.580 513 2HB ASP 63 2HB ASP 63 -12.283 9.067 9.118 514 H GLY 64 H GLY 64 -13.307 5.421 10.966 515 1HA GLY 64 1HA GLY 64 -15.333 5.222 11.946 516 2HA GLY 64 2HA GLY 64 -14.738 6.391 13.131 517 H ASP 65 H ASP 65 -15.271 7.083 9.643 518 HA ASP 65 HA ASP 65 -17.347 9.091 10.442 519 1HB ASP 65 1HB ASP 65 -15.056 10.021 9.916 520 2HB ASP 65 2HB ASP 65 -15.224 9.365 8.278 521 H GLY 66 H GLY 66 -17.307 6.176 9.220 522 1HA GLY 66 1HA GLY 66 -18.596 5.051 7.733 523 2HA GLY 66 2HA GLY 66 -19.395 6.548 7.222 524 H GLU 67 H GLU 67 -17.843 8.088 6.052 525 HA GLU 67 HA GLU 67 -16.951 6.881 3.666 526 1HB GLU 67 1HB GLU 67 -15.951 9.044 3.089 527 2HB GLU 67 2HB GLU 67 -17.609 9.189 3.666 528 1HG GLU 67 1HG GLU 67 -16.846 9.990 5.848 529 2HG GLU 67 2HG GLU 67 -15.153 9.753 5.392 530 H CYS 68 H CYS 68 -15.038 6.078 2.996 531 HA CYS 68 HA CYS 68 -12.987 5.568 5.128 532 1HB CYS 68 1HB CYS 68 -13.883 4.115 2.621 533 2HB CYS 68 2HB CYS 68 -12.288 3.800 3.348 534 HG CYS 68 HG CYS 68 -15.130 3.862 5.019 535 H ASP 69 H ASP 69 -11.093 6.676 5.025 536 HA ASP 69 HA ASP 69 -10.687 8.505 2.832 537 1HB ASP 69 1HB ASP 69 -10.270 9.132 5.153 538 2HB ASP 69 2HB ASP 69 -8.898 8.014 5.230 539 H PHE 70 H PHE 70 -8.562 8.644 1.717 540 HA PHE 70 HA PHE 70 -7.886 6.494 0.173 541 1HB PHE 70 1HB PHE 70 -7.149 8.831 -0.155 542 2HB PHE 70 2HB PHE 70 -6.007 8.678 1.165 543 HD1 PHE 70 HD1 PHE 70 -6.985 6.816 -1.951 544 HD2 PHE 70 HD2 PHE 70 -3.742 8.240 0.485 545 HE1 PHE 70 HE1 PHE 70 -5.402 6.274 -3.775 546 HE2 PHE 70 HE2 PHE 70 -2.142 7.566 -1.258 547 HZ PHE 70 HZ PHE 70 -2.975 6.569 -3.428 548 H GLN 71 H GLN 71 -6.582 7.168 3.410 549 HA GLN 71 HA GLN 71 -4.554 5.185 3.384 550 1HB GLN 71 1HB GLN 71 -6.161 6.006 5.843 551 2HB GLN 71 2HB GLN 71 -4.511 5.378 5.769 552 1HG GLN 71 1HG GLN 71 -5.545 8.119 5.003 553 2HG GLN 71 2HG GLN 71 -4.253 7.707 6.123 554 1HE2 GLN 71 1HE2 GLN 71 -2.463 6.214 4.842 555 2HE2 GLN 71 2HE2 GLN 71 -1.926 6.960 3.332 556 H GLU 72 H GLU 72 -7.988 4.863 4.434 557 HA GLU 72 HA GLU 72 -7.868 2.149 5.295 558 1HB GLU 72 1HB GLU 72 -10.077 3.920 4.114 559 2HB GLU 72 2HB GLU 72 -10.346 2.274 4.655 560 1HG GLU 72 1HG GLU 72 -11.011 3.713 6.335 561 2HG GLU 72 2HG GLU 72 -9.558 2.881 6.933 562 H PHE 73 H PHE 73 -8.828 3.672 2.285 563 HA PHE 73 HA PHE 73 -9.286 1.406 0.661 564 1HB PHE 73 1HB PHE 73 -9.909 3.417 -0.255 565 2HB PHE 73 2HB PHE 73 -8.422 4.235 0.159 566 HD1 PHE 73 HD1 PHE 73 -6.480 4.174 -1.355 567 HD2 PHE 73 HD2 PHE 73 -10.043 1.916 -2.264 568 HE1 PHE 73 HE1 PHE 73 -5.698 3.861 -3.692 569 HE2 PHE 73 HE2 PHE 73 -9.302 1.730 -4.632 570 HZ PHE 73 HZ PHE 73 -7.176 2.754 -5.360 571 H MET 74 H MET 74 -6.120 3.171 0.999 572 HA MET 74 HA MET 74 -4.681 1.247 -0.505 573 1HB MET 74 1HB MET 74 -3.785 3.301 1.540 574 2HB MET 74 2HB MET 74 -2.679 2.141 0.813 575 1HG MET 74 1HG MET 74 -3.823 3.044 -1.483 576 2HG MET 74 2HG MET 74 -4.048 4.461 -0.453 577 1HE MET 74 1HE MET 74 -0.042 2.631 -1.889 578 2HE MET 74 2HE MET 74 -1.037 1.739 -0.719 579 3HE MET 74 3HE MET 74 -1.663 2.082 -2.344 580 H ALA 75 H ALA 75 -5.347 1.356 2.984 581 HA ALA 75 HA ALA 75 -3.695 -0.845 3.704 582 1HB ALA 75 1HB ALA 75 -6.353 -0.027 4.951 583 2HB ALA 75 2HB ALA 75 -5.112 -1.059 5.683 584 3HB ALA 75 3HB ALA 75 -4.761 0.649 5.352 585 H PHE 76 H PHE 76 -7.060 -0.744 2.512 586 HA PHE 76 HA PHE 76 -7.547 -3.589 2.674 587 1HB PHE 76 1HB PHE 76 -9.415 -2.184 2.561 588 2HB PHE 76 2HB PHE 76 -8.815 -1.299 1.178 589 HD1 PHE 76 HD1 PHE 76 -10.707 -4.346 2.205 590 HD2 PHE 76 HD2 PHE 76 -8.995 -2.077 -1.069 591 HE1 PHE 76 HE1 PHE 76 -11.952 -5.711 0.579 592 HE2 PHE 76 HE2 PHE 76 -10.343 -3.371 -2.660 593 HZ PHE 76 HZ PHE 76 -11.775 -5.243 -1.863 594 H VAL 77 H VAL 77 -6.556 -1.450 -0.016 595 HA VAL 77 HA VAL 77 -6.106 -3.444 -1.950 596 HB VAL 77 HB VAL 77 -4.777 -0.776 -1.441 597 1HG1 VAL 77 1HG1 VAL 77 -4.527 -2.625 -3.871 598 2HG1 VAL 77 2HG1 VAL 77 -4.035 -0.921 -3.854 599 3HG1 VAL 77 3HG1 VAL 77 -3.204 -2.083 -2.816 600 1HG2 VAL 77 1HG2 VAL 77 -6.833 -1.662 -3.526 601 2HG2 VAL 77 2HG2 VAL 77 -7.225 -0.756 -2.060 602 3HG2 VAL 77 3HG2 VAL 77 -6.208 -0.015 -3.297 603 H ALA 78 H ALA 78 -3.910 -2.315 0.675 604 HA ALA 78 HA ALA 78 -1.625 -3.729 -0.136 605 1HB ALA 78 1HB ALA 78 -0.838 -3.445 2.150 606 2HB ALA 78 2HB ALA 78 -1.653 -1.967 1.611 607 3HB ALA 78 3HB ALA 78 -2.477 -3.088 2.719 608 H MET 79 H MET 79 -4.173 -4.785 2.206 609 HA MET 79 HA MET 79 -2.934 -7.380 2.508 610 1HB MET 79 1HB MET 79 -5.113 -8.121 3.475 611 2HB MET 79 2HB MET 79 -4.238 -6.831 4.308 612 1HG MET 79 1HG MET 79 -5.780 -5.177 3.456 613 2HG MET 79 2HG MET 79 -6.677 -6.409 2.535 614 1HE MET 79 1HE MET 79 -7.573 -4.186 4.874 615 2HE MET 79 2HE MET 79 -8.750 -5.114 3.889 616 3HE MET 79 3HE MET 79 -8.868 -5.119 5.665 617 H ILE 80 H ILE 80 -5.525 -6.187 0.349 618 HA ILE 80 HA ILE 80 -6.196 -8.686 -0.829 619 HB ILE 80 HB ILE 80 -6.159 -5.852 -1.890 620 1HG1 ILE 80 1HG1 ILE 80 -7.704 -6.607 0.083 621 2HG1 ILE 80 2HG1 ILE 80 -8.359 -5.653 -1.249 622 1HG2 ILE 80 1HG2 ILE 80 -7.726 -6.649 -3.664 623 2HG2 ILE 80 2HG2 ILE 80 -6.068 -7.219 -3.856 624 3HG2 ILE 80 3HG2 ILE 80 -7.305 -8.322 -3.217 625 1HD1 ILE 80 1HD1 ILE 80 -9.828 -7.510 -0.508 626 2HD1 ILE 80 2HD1 ILE 80 -9.413 -7.603 -2.225 627 3HD1 ILE 80 3HD1 ILE 80 -8.610 -8.681 -1.053 628 H THR 81 H THR 81 -3.732 -6.292 -1.821 629 HA THR 81 HA THR 81 -2.685 -7.743 -4.016 630 HB THR 81 HB THR 81 -1.289 -5.747 -2.165 631 HG1 THR 81 HG1 THR 81 -3.134 -4.880 -3.097 632 1HG2 THR 81 1HG2 THR 81 0.283 -6.996 -3.688 633 2HG2 THR 81 2HG2 THR 81 -0.659 -6.444 -5.066 634 3HG2 THR 81 3HG2 THR 81 0.159 -5.255 -4.048 635 H THR 82 H THR 82 -1.659 -7.629 -0.544 636 HA THR 82 HA THR 82 0.554 -9.379 -0.814 637 HB THR 82 HB THR 82 -1.267 -9.002 1.601 638 HG1 THR 82 HG1 THR 82 -0.364 -7.062 0.898 639 1HG2 THR 82 1HG2 THR 82 0.224 -10.976 1.837 640 2HG2 THR 82 2HG2 THR 82 1.623 -9.971 1.402 641 3HG2 THR 82 3HG2 THR 82 0.721 -9.658 2.901 642 H ALA 83 H ALA 83 -2.906 -10.125 -0.034 643 HA ALA 83 HA ALA 83 -2.570 -12.933 0.154 644 1HB ALA 83 1HB ALA 83 -4.590 -11.757 0.884 645 2HB ALA 83 2HB ALA 83 -4.973 -11.331 -0.802 646 3HB ALA 83 3HB ALA 83 -4.996 -13.029 -0.286 647 H CYS 84 H CYS 84 -3.357 -10.877 -2.730 648 HA CYS 84 HA CYS 84 -3.495 -12.998 -4.600 649 1HB CYS 84 1HB CYS 84 -4.149 -10.784 -5.251 650 2HB CYS 84 2HB CYS 84 -2.506 -10.145 -4.981 651 HG CYS 84 HG CYS 84 -3.485 -12.475 -7.101 652 H HIS 85 H HIS 85 -0.614 -11.057 -3.674 653 HA HIS 85 HA HIS 85 1.314 -12.380 -5.193 654 1HB HIS 85 1HB HIS 85 1.609 -10.282 -3.872 655 2HB HIS 85 2HB HIS 85 1.662 -11.231 -2.390 656 HD1 HIS 85 HD1 HIS 85 3.724 -13.387 -2.761 657 HD2 HIS 85 HD2 HIS 85 3.957 -9.677 -4.739 658 HE1 HIS 85 HE1 HIS 85 6.127 -13.089 -3.463 659 H GLU 86 H GLU 86 0.302 -13.134 -1.847 660 HA GLU 86 HA GLU 86 2.019 -15.256 -1.258 661 1HB GLU 86 1HB GLU 86 -0.884 -14.798 -0.461 662 2HB GLU 86 2HB GLU 86 0.065 -16.145 0.147 663 1HG GLU 86 1HG GLU 86 1.708 -14.670 1.165 664 2HG GLU 86 2HG GLU 86 0.879 -13.240 0.543 665 H PHE 87 H PHE 87 -0.848 -15.343 -3.342 666 HA PHE 87 HA PHE 87 -0.567 -18.331 -3.521 667 1HB PHE 87 1HB PHE 87 -3.044 -16.692 -4.029 668 2HB PHE 87 2HB PHE 87 -2.894 -18.438 -3.859 669 HD1 PHE 87 HD1 PHE 87 -1.425 -19.037 -1.516 670 HD2 PHE 87 HD2 PHE 87 -4.139 -15.742 -2.122 671 HE1 PHE 87 HE1 PHE 87 -1.527 -18.667 0.923 672 HE2 PHE 87 HE2 PHE 87 -4.228 -15.372 0.319 673 HZ PHE 87 HZ PHE 87 -2.859 -16.781 1.849 674 H PHE 88 H PHE 88 -0.266 -15.421 -5.331 675 HA PHE 88 HA PHE 88 -0.489 -16.794 -7.931 676 1HB PHE 88 1HB PHE 88 -1.351 -14.538 -7.617 677 2HB PHE 88 2HB PHE 88 0.251 -13.960 -7.118 678 HD1 PHE 88 HD1 PHE 88 1.854 -13.253 -8.735 679 HD2 PHE 88 HD2 PHE 88 -1.576 -15.537 -9.997 680 HE1 PHE 88 HE1 PHE 88 2.406 -12.765 -11.094 681 HE2 PHE 88 HE2 PHE 88 -1.013 -15.060 -12.368 682 HZ PHE 88 HZ PHE 88 0.968 -13.659 -12.921 683 H GLU 89 H GLU 89 2.066 -15.519 -5.734 684 HA GLU 89 HA GLU 89 4.175 -16.376 -7.648 685 1HB GLU 89 1HB GLU 89 4.332 -15.059 -4.900 686 2HB GLU 89 2HB GLU 89 5.716 -15.479 -5.912 687 1HG GLU 89 1HG GLU 89 3.487 -13.524 -6.666 688 2HG GLU 89 2HG GLU 89 5.116 -13.093 -6.140 689 H HIS 90 H HIS 90 3.462 -16.970 -4.177 690 HA HIS 90 HA HIS 90 4.579 -19.695 -4.304 691 1HB HIS 90 1HB HIS 90 5.008 -18.736 -2.279 692 2HB HIS 90 2HB HIS 90 3.487 -17.872 -2.201 693 HD1 HIS 90 HD1 HIS 90 1.432 -19.105 -1.189 694 HD2 HIS 90 HD2 HIS 90 5.037 -21.260 -1.242 695 HE1 HIS 90 HE1 HIS 90 1.165 -21.047 0.499 696 H GLU 91 H GLU 91 3.305 -20.103 -6.203 697 HA GLU 91 HA GLU 91 0.427 -20.710 -5.774 698 1HB GLU 91 1HB GLU 91 1.255 -19.292 -7.684 699 2HB GLU 91 2HB GLU 91 2.068 -20.718 -8.345 700 1HG GLU 91 1HG GLU 91 -0.149 -21.852 -8.525 701 2HG GLU 91 2HG GLU 91 -0.918 -20.436 -7.778 702 1H SER 1 1H SER 1 -9.969 -4.583 -14.956 703 2H SER 1 2H SER 1 -8.327 -4.591 -14.759 704 3H SER 1 3H SER 1 -9.307 -4.393 -13.456 705 HA SER 1 HA SER 1 -9.099 -2.554 -15.728 706 1HB SER 1 1HB SER 1 -11.299 -2.582 -14.424 707 2HB SER 1 2HB SER 1 -10.321 -2.098 -13.015 708 HG SER 1 HG SER 1 -11.119 -0.231 -13.967 709 H GLU 2 H GLU 2 -8.664 -0.314 -14.236 710 HA GLU 2 HA GLU 2 -5.906 -0.144 -14.389 711 1HB GLU 2 1HB GLU 2 -7.724 1.623 -12.692 712 2HB GLU 2 2HB GLU 2 -6.089 2.018 -13.244 713 1HG GLU 2 1HG GLU 2 -6.868 1.826 -15.610 714 2HG GLU 2 2HG GLU 2 -8.518 1.529 -15.030 715 H LEU 3 H LEU 3 -7.770 -0.374 -11.279 716 HA LEU 3 HA LEU 3 -5.374 -0.389 -9.711 717 1HB LEU 3 1HB LEU 3 -8.030 -1.601 -8.911 718 2HB LEU 3 2HB LEU 3 -6.671 -1.163 -7.860 719 HG LEU 3 HG LEU 3 -8.487 0.731 -9.394 720 1HD1 LEU 3 1HD1 LEU 3 -8.878 1.631 -7.141 721 2HD1 LEU 3 2HD1 LEU 3 -9.309 -0.089 -7.225 722 3HD1 LEU 3 3HD1 LEU 3 -7.790 0.413 -6.448 723 1HD2 LEU 3 1HD2 LEU 3 -7.103 2.568 -8.387 724 2HD2 LEU 3 2HD2 LEU 3 -5.858 1.358 -8.021 725 3HD2 LEU 3 3HD2 LEU 3 -6.316 1.708 -9.711 726 H GLU 4 H GLU 4 -7.274 -3.134 -11.055 727 HA GLU 4 HA GLU 4 -5.688 -5.197 -9.865 728 1HB GLU 4 1HB GLU 4 -7.244 -5.114 -12.468 729 2HB GLU 4 2HB GLU 4 -6.468 -6.568 -11.823 730 1HG GLU 4 1HG GLU 4 -7.786 -6.466 -9.777 731 2HG GLU 4 2HG GLU 4 -8.518 -4.946 -10.268 732 H LYS 5 H LYS 5 -5.307 -3.289 -12.860 733 HA LYS 5 HA LYS 5 -3.104 -4.729 -13.929 734 1HB LYS 5 1HB LYS 5 -4.644 -2.902 -14.975 735 2HB LYS 5 2HB LYS 5 -3.467 -1.749 -14.346 736 1HG LYS 5 1HG LYS 5 -2.977 -4.046 -16.299 737 2HG LYS 5 2HG LYS 5 -3.069 -2.322 -16.673 738 1HD LYS 5 1HD LYS 5 -1.025 -1.980 -15.161 739 2HD LYS 5 2HD LYS 5 -0.912 -3.746 -15.048 740 1HE LYS 5 1HE LYS 5 0.622 -3.014 -16.731 741 2HE LYS 5 2HE LYS 5 -0.690 -3.908 -17.514 742 1HZ LYS 5 1HZ LYS 5 -0.109 -1.902 -18.677 743 2HZ LYS 5 2HZ LYS 5 -1.657 -1.807 -18.127 744 3HZ LYS 5 3HZ LYS 5 -0.458 -0.979 -17.358 745 H ALA 6 H ALA 6 -3.246 -1.724 -11.994 746 HA ALA 6 HA ALA 6 -0.522 -1.275 -11.511 747 1HB ALA 6 1HB ALA 6 -2.961 -0.807 -9.747 748 2HB ALA 6 2HB ALA 6 -1.379 -0.063 -9.480 749 3HB ALA 6 3HB ALA 6 -2.303 0.303 -10.955 750 H VAL 7 H VAL 7 -2.828 -3.214 -9.581 751 HA VAL 7 HA VAL 7 -1.055 -4.108 -7.583 752 HB VAL 7 HB VAL 7 -3.672 -5.063 -8.743 753 1HG1 VAL 7 1HG1 VAL 7 -2.726 -7.169 -8.146 754 2HG1 VAL 7 2HG1 VAL 7 -2.141 -6.529 -6.596 755 3HG1 VAL 7 3HG1 VAL 7 -3.879 -6.677 -6.897 756 1HG2 VAL 7 1HG2 VAL 7 -2.850 -4.066 -5.989 757 2HG2 VAL 7 2HG2 VAL 7 -3.568 -3.056 -7.245 758 3HG2 VAL 7 3HG2 VAL 7 -4.507 -4.385 -6.543 759 H VAL 8 H VAL 8 -1.989 -5.892 -10.635 760 HA VAL 8 HA VAL 8 -0.106 -7.967 -9.998 761 HB VAL 8 HB VAL 8 -0.399 -8.855 -12.185 762 1HG1 VAL 8 1HG1 VAL 8 -2.792 -9.317 -12.071 763 2HG1 VAL 8 2HG1 VAL 8 -2.082 -9.301 -10.448 764 3HG1 VAL 8 3HG1 VAL 8 -3.049 -7.923 -11.006 765 1HG2 VAL 8 1HG2 VAL 8 -2.038 -6.402 -12.870 766 2HG2 VAL 8 2HG2 VAL 8 -0.468 -6.829 -13.576 767 3HG2 VAL 8 3HG2 VAL 8 -1.881 -7.858 -13.861 768 H ALA 9 H ALA 9 0.244 -4.897 -11.778 769 HA ALA 9 HA ALA 9 2.865 -5.382 -12.768 770 1HB ALA 9 1HB ALA 9 3.100 -2.960 -12.866 771 2HB ALA 9 2HB ALA 9 1.505 -3.457 -13.465 772 3HB ALA 9 3HB ALA 9 1.669 -2.736 -11.850 773 H LEU 10 H LEU 10 1.781 -4.008 -9.587 774 HA LEU 10 HA LEU 10 4.353 -3.667 -8.447 775 1HB LEU 10 1HB LEU 10 1.560 -4.013 -7.422 776 2HB LEU 10 2HB LEU 10 2.821 -4.548 -6.319 777 HG LEU 10 HG LEU 10 3.927 -2.347 -6.468 778 1HD1 LEU 10 1HD1 LEU 10 2.707 -0.435 -7.417 779 2HD1 LEU 10 2HD1 LEU 10 2.990 -1.624 -8.703 780 3HD1 LEU 10 3HD1 LEU 10 1.390 -1.502 -7.938 781 1HD2 LEU 10 1HD2 LEU 10 0.999 -2.390 -5.624 782 2HD2 LEU 10 2HD2 LEU 10 2.396 -2.882 -4.638 783 3HD2 LEU 10 3HD2 LEU 10 2.194 -1.184 -5.107 784 H ILE 11 H ILE 11 2.195 -6.534 -8.323 785 HA ILE 11 HA ILE 11 3.982 -8.153 -6.819 786 HB ILE 11 HB ILE 11 1.737 -8.876 -8.730 787 1HG1 ILE 11 1HG1 ILE 11 1.910 -8.760 -5.675 788 2HG1 ILE 11 2HG1 ILE 11 1.170 -7.525 -6.685 789 1HG2 ILE 11 1HG2 ILE 11 1.727 -11.114 -7.683 790 2HG2 ILE 11 2HG2 ILE 11 3.243 -10.826 -8.524 791 3HG2 ILE 11 3HG2 ILE 11 3.174 -10.706 -6.755 792 1HD1 ILE 11 1HD1 ILE 11 -0.585 -8.861 -5.809 793 2HD1 ILE 11 2HD1 ILE 11 -0.458 -9.233 -7.539 794 3HD1 ILE 11 3HD1 ILE 11 0.175 -10.368 -6.319 795 H ASP 12 H ASP 12 3.539 -7.994 -10.389 796 HA ASP 12 HA ASP 12 5.487 -9.953 -11.009 797 1HB ASP 12 1HB ASP 12 3.778 -9.158 -12.597 798 2HB ASP 12 2HB ASP 12 4.563 -7.572 -12.675 799 H VAL 13 H VAL 13 5.801 -6.350 -10.929 800 HA VAL 13 HA VAL 13 8.552 -6.280 -11.655 801 HB VAL 13 HB VAL 13 6.815 -4.369 -10.031 802 1HG1 VAL 13 1HG1 VAL 13 9.149 -3.918 -9.387 803 2HG1 VAL 13 2HG1 VAL 13 9.636 -3.942 -11.098 804 3HG1 VAL 13 3HG1 VAL 13 8.568 -2.664 -10.488 805 1HG2 VAL 13 1HG2 VAL 13 7.967 -4.228 -12.861 806 2HG2 VAL 13 2HG2 VAL 13 6.325 -4.792 -12.518 807 3HG2 VAL 13 3HG2 VAL 13 6.774 -3.125 -12.131 808 H PHE 14 H PHE 14 6.967 -6.335 -8.416 809 HA PHE 14 HA PHE 14 9.308 -6.430 -6.872 810 1HB PHE 14 1HB PHE 14 7.051 -6.197 -5.945 811 2HB PHE 14 2HB PHE 14 6.664 -7.855 -6.398 812 HD1 PHE 14 HD1 PHE 14 8.440 -5.706 -4.013 813 HD2 PHE 14 HD2 PHE 14 7.752 -9.791 -5.252 814 HE1 PHE 14 HE1 PHE 14 9.237 -6.529 -1.810 815 HE2 PHE 14 HE2 PHE 14 8.588 -10.585 -3.108 816 HZ PHE 14 HZ PHE 14 9.257 -8.956 -1.322 817 H HIS 15 H HIS 15 7.494 -9.200 -8.346 818 HA HIS 15 HA HIS 15 9.174 -11.264 -7.490 819 1HB HIS 15 1HB HIS 15 7.069 -11.747 -8.488 820 2HB HIS 15 2HB HIS 15 7.555 -11.050 -10.030 821 HD1 HIS 15 HD1 HIS 15 10.365 -13.083 -8.780 822 HD2 HIS 15 HD2 HIS 15 6.861 -13.529 -11.057 823 HE1 HIS 15 HE1 HIS 15 10.663 -15.199 -10.166 824 H GLN 16 H GLN 16 9.528 -9.215 -10.459 825 HA GLN 16 HA GLN 16 11.726 -10.546 -11.583 826 1HB GLN 16 1HB GLN 16 11.247 -7.536 -11.510 827 2HB GLN 16 2HB GLN 16 12.438 -8.354 -12.516 828 1HG GLN 16 1HG GLN 16 10.709 -9.574 -13.716 829 2HG GLN 16 2HG GLN 16 9.455 -8.915 -12.662 830 1HE2 GLN 16 1HE2 GLN 16 8.251 -7.779 -14.272 831 2HE2 GLN 16 2HE2 GLN 16 8.971 -6.441 -15.156 832 H TYR 17 H TYR 17 11.833 -7.967 -9.082 833 HA TYR 17 HA TYR 17 14.729 -8.222 -8.780 834 1HB TYR 17 1HB TYR 17 12.637 -6.809 -7.110 835 2HB TYR 17 2HB TYR 17 14.372 -6.735 -6.811 836 HD1 TYR 17 HD1 TYR 17 15.923 -5.680 -8.464 837 HD2 TYR 17 HD2 TYR 17 11.648 -5.485 -8.880 838 HE1 TYR 17 HE1 TYR 17 16.152 -3.796 -10.082 839 HE2 TYR 17 HE2 TYR 17 11.882 -3.696 -10.566 840 HH TYR 17 HH TYR 17 13.324 -2.280 -11.653 841 H SER 18 H SER 18 12.002 -9.174 -6.612 842 HA SER 18 HA SER 18 13.668 -10.312 -4.595 843 1HB SER 18 1HB SER 18 11.567 -11.427 -3.831 844 2HB SER 18 2HB SER 18 11.406 -9.672 -4.052 845 HG SER 18 HG SER 18 10.326 -10.043 -5.942 846 H GLY 19 H GLY 19 12.535 -11.665 -7.635 847 1HA GLY 19 1HA GLY 19 12.893 -14.431 -7.148 848 2HA GLY 19 2HA GLY 19 13.109 -13.591 -8.695 849 H ARG 20 H ARG 20 15.262 -11.775 -7.614 850 HA ARG 20 HA ARG 20 17.412 -13.610 -8.278 851 1HB ARG 20 1HB ARG 20 17.664 -10.725 -7.409 852 2HB ARG 20 2HB ARG 20 18.816 -11.722 -8.297 853 1HG ARG 20 1HG ARG 20 16.462 -11.822 -9.876 854 2HG ARG 20 2HG ARG 20 16.473 -10.179 -9.239 855 1HD ARG 20 1HD ARG 20 18.634 -11.581 -10.852 856 2HD ARG 20 2HD ARG 20 17.660 -10.211 -11.374 857 HE ARG 20 HE ARG 20 20.059 -10.223 -9.716 858 1HH1 ARG 20 1HH1 ARG 20 17.148 -8.337 -10.403 859 2HH1 ARG 20 2HH1 ARG 20 17.892 -6.804 -9.991 860 1HH2 ARG 20 2HH2 ARG 20 20.977 -8.278 -9.066 861 2HH2 ARG 20 1HH2 ARG 20 20.080 -6.787 -9.124 862 H GLU 21 H GLU 21 16.642 -11.603 -5.369 863 HA GLU 21 HA GLU 21 17.936 -13.665 -3.688 864 1HB GLU 21 1HB GLU 21 18.724 -10.750 -3.475 865 2HB GLU 21 2HB GLU 21 19.195 -12.064 -2.394 866 1HG GLU 21 1HG GLU 21 20.325 -13.206 -4.322 867 2HG GLU 21 2HG GLU 21 19.912 -11.828 -5.357 868 H GLY 22 H GLY 22 16.254 -14.284 -2.645 869 1HA GLY 22 1HA GLY 22 15.008 -13.911 -0.569 870 2HA GLY 22 2HA GLY 22 14.432 -12.380 -1.216 871 H ASP 23 H ASP 23 14.809 -15.486 -2.870 872 HA ASP 23 HA ASP 23 13.378 -16.481 -4.363 873 1HB ASP 23 1HB ASP 23 13.856 -17.887 -2.401 874 2HB ASP 23 2HB ASP 23 12.407 -17.263 -1.593 875 H LYS 24 H LYS 24 12.353 -14.201 -4.846 876 HA LYS 24 HA LYS 24 10.531 -13.338 -5.874 877 1HB LYS 24 1HB LYS 24 8.873 -15.750 -5.143 878 2HB LYS 24 2HB LYS 24 8.679 -14.640 -6.495 879 1HG LYS 24 1HG LYS 24 10.788 -15.545 -7.499 880 2HG LYS 24 2HG LYS 24 10.909 -16.697 -6.153 881 1HD LYS 24 1HD LYS 24 8.564 -17.490 -6.718 882 2HD LYS 24 2HD LYS 24 8.652 -16.532 -8.199 883 1HE LYS 24 1HE LYS 24 10.546 -18.799 -7.376 884 2HE LYS 24 2HE LYS 24 9.227 -18.926 -8.551 885 1HZ LYS 24 1HZ LYS 24 11.580 -17.194 -8.823 886 2HZ LYS 24 2HZ LYS 24 11.327 -18.617 -9.613 887 3HZ LYS 24 3HZ LYS 24 10.345 -17.329 -9.912 888 H HIS 25 H HIS 25 10.549 -13.857 -2.536 889 HA HIS 25 HA HIS 25 7.858 -12.582 -2.109 890 1HB HIS 25 1HB HIS 25 9.269 -14.770 -0.565 891 2HB HIS 25 2HB HIS 25 7.872 -13.870 0.040 892 HD1 HIS 25 HD1 HIS 25 8.742 -16.274 -2.844 893 HD2 HIS 25 HD2 HIS 25 5.474 -14.403 -0.970 894 HE1 HIS 25 HE1 HIS 25 6.625 -17.219 -3.935 895 H LYS 26 H LYS 26 11.281 -12.395 -1.387 896 HA LYS 26 HA LYS 26 10.696 -10.004 0.235 897 1HB LYS 26 1HB LYS 26 12.991 -11.888 0.852 898 2HB LYS 26 2HB LYS 26 12.395 -10.505 1.789 899 1HG LYS 26 1HG LYS 26 10.220 -11.874 2.106 900 2HG LYS 26 2HG LYS 26 11.127 -13.248 1.450 901 1HD LYS 26 1HD LYS 26 12.861 -12.925 3.218 902 2HD LYS 26 2HD LYS 26 11.924 -11.556 3.871 903 1HE LYS 26 1HE LYS 26 10.007 -13.192 4.223 904 2HE LYS 26 2HE LYS 26 11.142 -14.487 3.754 905 1HZ LYS 26 1HZ LYS 26 12.549 -13.781 5.564 906 2HZ LYS 26 2HZ LYS 26 11.448 -12.639 6.012 907 3HZ LYS 26 3HZ LYS 26 11.055 -14.237 6.107 908 H LEU 27 H LEU 27 12.415 -8.427 0.186 909 HA LEU 27 HA LEU 27 14.245 -8.637 -2.202 910 1HB LEU 27 1HB LEU 27 13.121 -6.235 -0.711 911 2HB LEU 27 2HB LEU 27 14.344 -6.136 -1.980 912 HG LEU 27 HG LEU 27 11.585 -7.321 -2.435 913 1HD1 LEU 27 1HD1 LEU 27 12.609 -4.488 -2.901 914 2HD1 LEU 27 2HD1 LEU 27 11.025 -5.103 -3.430 915 3HD1 LEU 27 3HD1 LEU 27 11.390 -4.965 -1.698 916 1HD2 LEU 27 1HD2 LEU 27 13.322 -7.924 -4.135 917 2HD2 LEU 27 2HD2 LEU 27 12.056 -6.878 -4.796 918 3HD2 LEU 27 3HD2 LEU 27 13.645 -6.197 -4.387 919 H LYS 28 H LYS 28 16.247 -9.304 -1.475 920 HA LYS 28 HA LYS 28 17.250 -8.537 1.144 921 1HB LYS 28 1HB LYS 28 17.914 -10.554 -0.138 922 2HB LYS 28 2HB LYS 28 18.807 -9.529 -1.270 923 1HG LYS 28 1HG LYS 28 20.404 -8.917 0.378 924 2HG LYS 28 2HG LYS 28 19.319 -9.358 1.726 925 1HD LYS 28 1HD LYS 28 19.501 -11.718 1.179 926 2HD LYS 28 2HD LYS 28 20.495 -11.348 -0.244 927 1HE LYS 28 1HE LYS 28 21.934 -12.100 1.568 928 2HE LYS 28 2HE LYS 28 22.258 -10.391 1.242 929 1HZ LYS 28 1HZ LYS 28 22.097 -10.868 3.580 930 2HZ LYS 28 2HZ LYS 28 20.884 -9.849 3.131 931 3HZ LYS 28 3HZ LYS 28 20.563 -11.442 3.407 932 H LYS 29 H LYS 29 19.254 -7.052 1.349 933 HA LYS 29 HA LYS 29 18.529 -4.496 0.645 934 1HB LYS 29 1HB LYS 29 20.728 -3.756 1.396 935 2HB LYS 29 2HB LYS 29 20.074 -4.986 2.445 936 1HG LYS 29 1HG LYS 29 21.550 -6.711 1.406 937 2HG LYS 29 2HG LYS 29 22.208 -5.477 0.327 938 1HD LYS 29 1HD LYS 29 23.735 -5.845 2.161 939 2HD LYS 29 2HD LYS 29 23.112 -4.196 2.163 940 1HE LYS 29 1HE LYS 29 23.256 -5.131 4.441 941 2HE LYS 29 2HE LYS 29 21.596 -4.714 4.023 942 1HZ LYS 29 1HZ LYS 29 21.746 -6.826 5.092 943 2HZ LYS 29 2HZ LYS 29 21.199 -7.022 3.552 944 3HZ LYS 29 3HZ LYS 29 22.758 -7.410 3.928 945 H SER 30 H SER 30 20.643 -6.675 -1.124 946 HA SER 30 HA SER 30 21.813 -5.039 -3.061 947 1HB SER 30 1HB SER 30 21.585 -7.491 -4.221 948 2HB SER 30 2HB SER 30 22.695 -7.192 -2.870 949 HG SER 30 HG SER 30 21.223 -9.034 -2.581 950 H GLU 31 H GLU 31 18.616 -6.673 -2.869 951 HA GLU 31 HA GLU 31 17.918 -5.962 -5.640 952 1HB GLU 31 1HB GLU 31 16.157 -7.208 -3.485 953 2HB GLU 31 2HB GLU 31 15.925 -7.217 -5.239 954 1HG GLU 31 1HG GLU 31 18.057 -8.662 -3.634 955 2HG GLU 31 2HG GLU 31 16.754 -9.395 -4.573 956 H LEU 32 H LEU 32 17.048 -5.140 -2.303 957 HA LEU 32 HA LEU 32 14.921 -3.440 -2.803 958 1HB LEU 32 1HB LEU 32 15.599 -4.332 -0.607 959 2HB LEU 32 2HB LEU 32 16.992 -3.235 -0.572 960 HG LEU 32 HG LEU 32 14.984 -2.618 0.831 961 1HD1 LEU 32 1HD1 LEU 32 15.128 -0.263 0.499 962 2HD1 LEU 32 2HD1 LEU 32 16.731 -0.985 0.299 963 3HD1 LEU 32 3HD1 LEU 32 15.807 -0.448 -1.118 964 1HD2 LEU 32 1HD2 LEU 32 13.672 -1.831 -1.775 965 2HD2 LEU 32 2HD2 LEU 32 13.221 -3.222 -0.764 966 3HD2 LEU 32 3HD2 LEU 32 13.059 -1.573 -0.136 967 H LYS 33 H LYS 33 18.442 -2.574 -2.538 968 HA LYS 33 HA LYS 33 18.065 0.172 -2.908 969 1HB LYS 33 1HB LYS 33 20.368 0.324 -3.598 970 2HB LYS 33 2HB LYS 33 20.128 -0.837 -2.282 971 1HG LYS 33 1HG LYS 33 20.239 -2.684 -3.943 972 2HG LYS 33 2HG LYS 33 20.839 -1.521 -5.137 973 1HD LYS 33 1HD LYS 33 22.089 -2.283 -2.463 974 2HD LYS 33 2HD LYS 33 22.682 -2.712 -4.069 975 1HE LYS 33 1HE LYS 33 22.597 0.099 -2.860 976 2HE LYS 33 2HE LYS 33 24.026 -0.900 -3.131 977 1HZ LYS 33 1HZ LYS 33 23.765 0.718 -4.833 978 2HZ LYS 33 2HZ LYS 33 23.594 -0.789 -5.477 979 3HZ LYS 33 3HZ LYS 33 22.266 0.157 -5.226 980 H GLU 34 H GLU 34 18.754 -2.205 -5.502 981 HA GLU 34 HA GLU 34 18.580 -0.180 -7.526 982 1HB GLU 34 1HB GLU 34 18.540 -2.064 -9.157 983 2HB GLU 34 2HB GLU 34 19.877 -2.151 -8.002 984 1HG GLU 34 1HG GLU 34 18.686 -3.867 -6.700 985 2HG GLU 34 2HG GLU 34 17.295 -3.765 -7.780 986 H LEU 35 H LEU 35 16.195 -2.483 -6.211 987 HA LEU 35 HA LEU 35 14.022 -1.953 -7.918 988 1HB LEU 35 1HB LEU 35 13.968 -3.710 -6.344 989 2HB LEU 35 2HB LEU 35 14.277 -2.651 -4.985 990 HG LEU 35 HG LEU 35 12.006 -3.634 -5.157 991 1HD1 LEU 35 1HD1 LEU 35 11.791 -0.616 -5.118 992 2HD1 LEU 35 2HD1 LEU 35 10.879 -1.816 -4.206 993 3HD1 LEU 35 3HD1 LEU 35 12.580 -1.545 -3.821 994 1HD2 LEU 35 1HD2 LEU 35 11.656 -3.326 -7.599 995 2HD2 LEU 35 2HD2 LEU 35 10.325 -2.730 -6.604 996 3HD2 LEU 35 3HD2 LEU 35 11.471 -1.583 -7.324 997 H ILE 36 H ILE 36 14.926 -0.187 -4.847 998 HA ILE 36 HA ILE 36 12.848 1.745 -5.232 999 HB ILE 36 HB ILE 36 15.441 2.096 -3.693 1000 1HG1 ILE 36 1HG1 ILE 36 14.070 0.162 -2.875 1001 2HG1 ILE 36 2HG1 ILE 36 14.346 1.448 -1.709 1002 1HG2 ILE 36 1HG2 ILE 36 14.468 4.268 -4.055 1003 2HG2 ILE 36 2HG2 ILE 36 12.833 3.665 -3.759 1004 3HG2 ILE 36 3HG2 ILE 36 13.977 3.795 -2.419 1005 1HD1 ILE 36 1HD1 ILE 36 12.064 2.234 -2.018 1006 2HD1 ILE 36 2HD1 ILE 36 11.768 1.003 -3.267 1007 3HD1 ILE 36 3HD1 ILE 36 12.098 0.515 -1.588 1008 H ASN 37 H ASN 37 16.378 1.967 -5.911 1009 HA ASN 37 HA ASN 37 16.371 4.614 -6.874 1010 1HB ASN 37 1HB ASN 37 18.147 2.257 -7.631 1011 2HB ASN 37 2HB ASN 37 18.371 3.890 -8.286 1012 1HD2 ASN 37 2HD2 ASN 37 18.601 1.949 -5.370 1013 2HD2 ASN 37 1HD2 ASN 37 19.575 3.092 -4.467 1014 H ASN 38 H ASN 38 15.885 1.577 -8.746 1015 HA ASN 38 HA ASN 38 15.687 3.024 -11.251 1016 1HB ASN 38 1HB ASN 38 16.551 0.709 -11.047 1017 2HB ASN 38 2HB ASN 38 14.941 0.160 -10.519 1018 1HD2 ASN 38 1HD2 ASN 38 15.100 -1.338 -12.344 1019 2HD2 ASN 38 2HD2 ASN 38 14.710 -0.747 -13.959 1020 H GLU 39 H GLU 39 13.270 1.206 -9.196 1021 HA GLU 39 HA GLU 39 11.200 1.893 -11.099 1022 1HB GLU 39 1HB GLU 39 10.942 0.673 -8.334 1023 2HB GLU 39 2HB GLU 39 9.692 0.774 -9.572 1024 1HG GLU 39 1HG GLU 39 12.295 -0.801 -9.800 1025 2HG GLU 39 2HG GLU 39 10.684 -1.471 -9.518 1026 H LEU 40 H LEU 40 12.264 3.218 -7.977 1027 HA LEU 40 HA LEU 40 9.924 5.020 -7.878 1028 1HB LEU 40 1HB LEU 40 11.431 3.636 -5.916 1029 2HB LEU 40 2HB LEU 40 11.844 5.329 -5.727 1030 HG LEU 40 HG LEU 40 9.370 5.818 -5.548 1031 1HD1 LEU 40 1HD1 LEU 40 9.142 2.763 -5.517 1032 2HD1 LEU 40 2HD1 LEU 40 7.846 3.905 -5.109 1033 3HD1 LEU 40 3HD1 LEU 40 8.453 3.818 -6.766 1034 1HD2 LEU 40 1HD2 LEU 40 10.495 3.693 -3.672 1035 2HD2 LEU 40 2HD2 LEU 40 10.831 5.427 -3.570 1036 3HD2 LEU 40 3HD2 LEU 40 9.189 4.825 -3.276 1037 H SER 41 H SER 41 12.571 5.127 -9.667 1038 HA SER 41 HA SER 41 14.269 7.143 -9.080 1039 1HB SER 41 1HB SER 41 14.267 7.525 -11.642 1040 2HB SER 41 2HB SER 41 14.608 5.888 -11.078 1041 HG SER 41 HG SER 41 12.775 5.186 -11.837 1042 H HIS 42 H HIS 42 11.167 7.658 -10.774 1043 HA HIS 42 HA HIS 42 11.468 10.469 -11.072 1044 1HB HIS 42 1HB HIS 42 9.880 9.091 -12.355 1045 2HB HIS 42 2HB HIS 42 8.908 8.836 -10.905 1046 HD1 HIS 42 HD1 HIS 42 9.531 12.280 -10.423 1047 HD2 HIS 42 HD2 HIS 42 7.327 10.002 -13.196 1048 HE1 HIS 42 HE1 HIS 42 7.746 13.830 -11.398 1049 H PHE 43 H PHE 43 10.008 8.534 -8.456 1050 HA PHE 43 HA PHE 43 8.918 10.874 -7.088 1051 1HB PHE 43 1HB PHE 43 8.991 7.902 -6.566 1052 2HB PHE 43 2HB PHE 43 8.610 9.022 -5.271 1053 HD1 PHE 43 HD1 PHE 43 7.516 9.436 -8.864 1054 HD2 PHE 43 HD2 PHE 43 6.381 8.452 -4.814 1055 HE1 PHE 43 HE1 PHE 43 5.139 9.492 -9.513 1056 HE2 PHE 43 HE2 PHE 43 4.007 8.507 -5.472 1057 HZ PHE 43 HZ PHE 43 3.372 9.019 -7.834 1058 H LEU 44 H LEU 44 11.619 8.575 -6.404 1059 HA LEU 44 HA LEU 44 12.567 10.446 -4.263 1060 1HB LEU 44 1HB LEU 44 12.510 7.433 -4.427 1061 2HB LEU 44 2HB LEU 44 13.866 8.232 -3.633 1062 HG LEU 44 HG LEU 44 12.304 9.514 -2.190 1063 1HD1 LEU 44 1HD1 LEU 44 10.238 7.642 -3.444 1064 2HD1 LEU 44 2HD1 LEU 44 9.980 8.537 -1.926 1065 3HD1 LEU 44 3HD1 LEU 44 10.223 9.420 -3.430 1066 1HD2 LEU 44 1HD2 LEU 44 12.173 6.475 -2.006 1067 2HD2 LEU 44 2HD2 LEU 44 13.464 7.519 -1.379 1068 3HD2 LEU 44 3HD2 LEU 44 11.838 7.610 -0.682 1069 H GLU 45 H GLU 45 14.562 11.177 -4.336 1070 HA GLU 45 HA GLU 45 16.189 10.989 -6.705 1071 1HB GLU 45 1HB GLU 45 16.847 11.920 -3.871 1072 2HB GLU 45 2HB GLU 45 17.876 12.167 -5.287 1073 1HG GLU 45 1HG GLU 45 16.114 13.518 -6.371 1074 2HG GLU 45 2HG GLU 45 15.024 13.247 -5.005 1075 H GLU 46 H GLU 46 18.218 9.871 -6.930 1076 HA GLU 46 HA GLU 46 18.156 7.198 -6.081 1077 1HB GLU 46 1HB GLU 46 20.162 6.911 -7.295 1078 2HB GLU 46 2HB GLU 46 19.222 8.130 -8.165 1079 1HG GLU 46 1HG GLU 46 20.576 9.878 -6.860 1080 2HG GLU 46 2HG GLU 46 21.527 8.519 -6.256 1081 H ILE 47 H ILE 47 19.338 6.055 -4.713 1082 HA ILE 47 HA ILE 47 19.776 7.429 -2.145 1083 HB ILE 47 HB ILE 47 19.830 4.437 -2.627 1084 1HG1 ILE 47 1HG1 ILE 47 17.413 6.165 -1.947 1085 2HG1 ILE 47 2HG1 ILE 47 17.700 5.400 -3.524 1086 1HG2 ILE 47 1HG2 ILE 47 20.738 5.249 -0.456 1087 2HG2 ILE 47 2HG2 ILE 47 19.249 6.172 -0.176 1088 3HG2 ILE 47 3HG2 ILE 47 19.219 4.405 -0.197 1089 1HD1 ILE 47 1HD1 ILE 47 17.744 3.169 -2.455 1090 2HD1 ILE 47 2HD1 ILE 47 17.212 3.926 -0.926 1091 3HD1 ILE 47 3HD1 ILE 47 16.203 4.033 -2.367 1092 H LYS 48 H LYS 48 21.516 5.148 -4.227 1093 HA LYS 48 HA LYS 48 23.658 4.610 -4.544 1094 1HB LYS 48 1HB LYS 48 23.912 7.023 -4.849 1095 2HB LYS 48 2HB LYS 48 24.295 7.221 -3.131 1096 1HG LYS 48 1HG LYS 48 26.339 5.954 -3.351 1097 2HG LYS 48 2HG LYS 48 25.932 5.488 -5.012 1098 1HD LYS 48 1HD LYS 48 27.595 7.332 -4.895 1099 2HD LYS 48 2HD LYS 48 26.135 7.771 -5.797 1100 1HE LYS 48 1HE LYS 48 25.278 9.085 -3.921 1101 2HE LYS 48 2HE LYS 48 26.580 8.499 -2.863 1102 1HZ LYS 48 1HZ LYS 48 28.134 9.630 -4.280 1103 2HZ LYS 48 2HZ LYS 48 26.920 10.159 -5.262 1104 3HZ LYS 48 3HZ LYS 48 27.004 10.681 -3.701 1105 H GLU 49 H GLU 49 23.642 6.020 -1.231 1106 HA GLU 49 HA GLU 49 25.758 4.326 -0.384 1107 1HB GLU 49 1HB GLU 49 25.414 6.511 0.558 1108 2HB GLU 49 2HB GLU 49 23.821 6.062 1.186 1109 1HG GLU 49 1HG GLU 49 25.662 6.126 2.907 1110 2HG GLU 49 2HG GLU 49 24.797 4.592 2.833 1111 H GLN 50 H GLN 50 25.496 2.192 -0.376 1112 HA GLN 50 HA GLN 50 23.511 0.438 0.097 1113 1HB GLN 50 1HB GLN 50 25.914 -0.065 -0.371 1114 2HB GLN 50 2HB GLN 50 26.252 0.184 1.348 1115 1HG GLN 50 1HG GLN 50 24.502 -1.656 1.817 1116 2HG GLN 50 2HG GLN 50 24.433 -1.931 0.070 1117 1HE2 GLN 50 1HE2 GLN 50 26.875 -1.626 2.767 1118 2HE2 GLN 50 2HE2 GLN 50 27.877 -2.938 2.154 1119 H GLU 51 H GLU 51 25.370 2.057 2.768 1120 HA GLU 51 HA GLU 51 24.023 0.613 4.818 1121 1HB GLU 51 1HB GLU 51 25.224 3.396 5.066 1122 2HB GLU 51 2HB GLU 51 24.891 2.243 6.363 1123 1HG GLU 51 1HG GLU 51 27.017 2.003 4.189 1124 2HG GLU 51 2HG GLU 51 27.240 2.085 5.930 1125 H VAL 52 H VAL 52 22.948 3.481 3.019 1126 HA VAL 52 HA VAL 52 20.818 4.039 4.939 1127 HB VAL 52 HB VAL 52 21.154 5.032 2.082 1128 1HG1 VAL 52 1HG1 VAL 52 19.289 5.798 4.370 1129 2HG1 VAL 52 2HG1 VAL 52 19.499 6.752 2.897 1130 3HG1 VAL 52 3HG1 VAL 52 18.814 5.133 2.790 1131 1HG2 VAL 52 1HG2 VAL 52 21.875 7.130 3.164 1132 2HG2 VAL 52 2HG2 VAL 52 21.744 6.375 4.767 1133 3HG2 VAL 52 3HG2 VAL 52 22.974 5.823 3.617 1134 H VAL 53 H VAL 53 21.206 2.219 1.846 1135 HA VAL 53 HA VAL 53 18.468 1.600 1.554 1136 HB VAL 53 HB VAL 53 18.942 0.306 -0.122 1137 1HG1 VAL 53 1HG1 VAL 53 21.670 1.566 0.091 1138 2HG1 VAL 53 2HG1 VAL 53 20.881 1.013 -1.371 1139 3HG1 VAL 53 3HG1 VAL 53 20.195 2.365 -0.476 1140 1HG2 VAL 53 1HG2 VAL 53 20.862 -1.296 -0.382 1141 2HG2 VAL 53 2HG2 VAL 53 21.304 -0.985 1.269 1142 3HG2 VAL 53 3HG2 VAL 53 19.714 -1.663 0.900 1143 H ASP 54 H ASP 54 21.099 -0.124 3.241 1144 HA ASP 54 HA ASP 54 19.623 -2.212 4.387 1145 1HB ASP 54 1HB ASP 54 22.055 -2.120 4.518 1146 2HB ASP 54 2HB ASP 54 21.988 -0.680 5.543 1147 H LYS 55 H LYS 55 20.232 1.124 5.750 1148 HA LYS 55 HA LYS 55 18.777 0.680 8.112 1149 1HB LYS 55 1HB LYS 55 20.268 2.558 7.810 1150 2HB LYS 55 2HB LYS 55 19.195 3.304 6.620 1151 1HG LYS 55 1HG LYS 55 17.979 2.609 9.290 1152 2HG LYS 55 2HG LYS 55 19.196 3.895 9.270 1153 1HD LYS 55 1HD LYS 55 17.911 5.170 7.616 1154 2HD LYS 55 2HD LYS 55 16.717 3.878 7.479 1155 1HE LYS 55 1HE LYS 55 15.839 5.622 8.907 1156 2HE LYS 55 2HE LYS 55 16.088 4.149 9.854 1157 1HZ LYS 55 1HZ LYS 55 17.910 6.455 9.772 1158 2HZ LYS 55 2HZ LYS 55 16.851 6.105 10.986 1159 3HZ LYS 55 3HZ LYS 55 18.116 5.095 10.683 1160 H VAL 56 H VAL 56 17.550 2.071 4.983 1161 HA VAL 56 HA VAL 56 14.916 2.420 6.079 1162 HB VAL 56 HB VAL 56 14.058 2.720 3.870 1163 1HG1 VAL 56 1HG1 VAL 56 16.715 4.169 4.235 1164 2HG1 VAL 56 2HG1 VAL 56 15.336 4.704 3.256 1165 3HG1 VAL 56 3HG1 VAL 56 15.174 4.594 5.015 1166 1HG2 VAL 56 1HG2 VAL 56 15.335 1.064 2.571 1167 2HG2 VAL 56 2HG2 VAL 56 15.473 2.681 1.867 1168 3HG2 VAL 56 3HG2 VAL 56 16.803 2.028 2.831 1169 H MET 57 H MET 57 16.422 -0.354 4.273 1170 HA MET 57 HA MET 57 14.005 -1.820 4.242 1171 1HB MET 57 1HB MET 57 15.132 -3.423 3.281 1172 2HB MET 57 2HB MET 57 16.469 -2.295 3.203 1173 1HG MET 57 1HG MET 57 17.363 -3.315 5.342 1174 2HG MET 57 2HG MET 57 16.020 -4.470 5.294 1175 1HE MET 57 1HE MET 57 16.820 -6.539 2.179 1176 2HE MET 57 2HE MET 57 15.526 -5.880 3.194 1177 3HE MET 57 3HE MET 57 16.172 -4.921 1.845 1178 H GLU 58 H GLU 58 16.606 -1.768 6.704 1179 HA GLU 58 HA GLU 58 15.575 -3.601 8.540 1180 1HB GLU 58 1HB GLU 58 17.800 -2.628 8.704 1181 2HB GLU 58 2HB GLU 58 17.133 -1.017 8.998 1182 1HG GLU 58 1HG GLU 58 16.184 -1.734 11.139 1183 2HG GLU 58 2HG GLU 58 16.678 -3.402 10.817 1184 H THR 59 H THR 59 14.916 -0.129 8.212 1185 HA THR 59 HA THR 59 13.123 0.209 10.356 1186 HB THR 59 HB THR 59 13.253 1.621 7.660 1187 HG1 THR 59 HG1 THR 59 15.124 1.759 8.841 1188 1HG2 THR 59 1HG2 THR 59 11.810 2.469 10.183 1189 2HG2 THR 59 2HG2 THR 59 12.179 3.521 8.795 1190 3HG2 THR 59 3HG2 THR 59 11.090 2.148 8.581 1191 H LEU 60 H LEU 60 12.495 -1.268 7.153 1192 HA LEU 60 HA LEU 60 9.575 -1.419 7.746 1193 1HB LEU 60 1HB LEU 60 10.996 -2.549 5.335 1194 2HB LEU 60 2HB LEU 60 9.293 -2.158 5.532 1195 HG LEU 60 HG LEU 60 11.466 -0.045 5.460 1196 1HD1 LEU 60 1HD1 LEU 60 9.694 -1.142 3.258 1197 2HD1 LEU 60 2HD1 LEU 60 10.696 0.333 3.142 1198 3HD1 LEU 60 3HD1 LEU 60 11.459 -1.243 3.364 1199 1HD2 LEU 60 1HD2 LEU 60 9.574 1.459 5.111 1200 2HD2 LEU 60 2HD2 LEU 60 8.442 0.095 5.327 1201 3HD2 LEU 60 3HD2 LEU 60 9.486 0.620 6.669 1202 H ASP 61 H ASP 61 12.433 -3.368 7.781 1203 HA ASP 61 HA ASP 61 11.429 -5.894 7.220 1204 1HB ASP 61 1HB ASP 61 13.800 -5.293 7.169 1205 2HB ASP 61 2HB ASP 61 13.811 -5.154 8.939 1206 H SER 62 H SER 62 9.359 -5.621 8.540 1207 HA SER 62 HA SER 62 9.002 -6.247 11.211 1208 1HB SER 62 1HB SER 62 6.919 -7.325 10.473 1209 2HB SER 62 2HB SER 62 7.212 -5.865 9.498 1210 HG SER 62 HG SER 62 6.679 -7.575 8.136 1211 H ASP 63 H ASP 63 9.929 -8.375 8.555 1212 HA ASP 63 HA ASP 63 9.668 -10.844 9.902 1213 1HB ASP 63 1HB ASP 63 11.589 -10.201 7.619 1214 2HB ASP 63 2HB ASP 63 10.924 -11.778 8.045 1215 H GLY 64 H GLY 64 12.120 -8.397 10.313 1216 1HA GLY 64 1HA GLY 64 14.215 -8.391 11.223 1217 2HA GLY 64 2HA GLY 64 13.626 -9.707 12.254 1218 H ASP 65 H ASP 65 13.983 -9.783 8.717 1219 HA ASP 65 HA ASP 65 15.899 -12.083 8.957 1220 1HB ASP 65 1HB ASP 65 13.560 -12.665 8.296 1221 2HB ASP 65 2HB ASP 65 13.694 -11.554 6.919 1222 H GLY 66 H GLY 66 15.976 -8.907 8.340 1223 1HA GLY 66 1HA GLY 66 17.366 -7.589 7.120 1224 2HA GLY 66 2HA GLY 66 18.077 -8.995 6.306 1225 H GLU 67 H GLU 67 16.378 -10.204 4.928 1226 HA GLU 67 HA GLU 67 15.705 -8.592 2.764 1227 1HB GLU 67 1HB GLU 67 14.258 -11.176 3.252 1228 2HB GLU 67 2HB GLU 67 14.832 -10.459 1.741 1229 1HG GLU 67 1HG GLU 67 17.212 -10.925 2.642 1230 2HG GLU 67 2HG GLU 67 16.394 -11.934 3.869 1231 H CYS 68 H CYS 68 13.893 -7.344 2.285 1232 HA CYS 68 HA CYS 68 11.783 -7.112 4.370 1233 1HB CYS 68 1HB CYS 68 12.641 -5.445 1.988 1234 2HB CYS 68 2HB CYS 68 11.000 -5.273 2.667 1235 HG CYS 68 HG CYS 68 12.444 -3.419 3.671 1236 H ASP 69 H ASP 69 9.816 -8.129 4.214 1237 HA ASP 69 HA ASP 69 9.311 -9.860 1.968 1238 1HB ASP 69 1HB ASP 69 8.663 -10.478 4.232 1239 2HB ASP 69 2HB ASP 69 7.567 -9.081 4.336 1240 H PHE 70 H PHE 70 7.475 -9.791 0.557 1241 HA PHE 70 HA PHE 70 6.907 -7.495 -0.809 1242 1HB PHE 70 1HB PHE 70 6.138 -9.717 -1.522 1243 2HB PHE 70 2HB PHE 70 4.939 -9.742 -0.231 1244 HD1 PHE 70 HD1 PHE 70 2.874 -8.318 -0.403 1245 HD2 PHE 70 HD2 PHE 70 5.972 -8.131 -3.371 1246 HE1 PHE 70 HE1 PHE 70 1.549 -6.689 -1.685 1247 HE2 PHE 70 HE2 PHE 70 4.585 -6.618 -4.754 1248 HZ PHE 70 HZ PHE 70 2.410 -5.812 -3.882 1249 H GLN 71 H GLN 71 5.083 -8.597 2.117 1250 HA GLN 71 HA GLN 71 3.192 -6.477 2.015 1251 1HB GLN 71 1HB GLN 71 2.725 -8.360 3.383 1252 2HB GLN 71 2HB GLN 71 4.249 -8.208 4.263 1253 1HG GLN 71 1HG GLN 71 2.293 -7.517 5.600 1254 2HG GLN 71 2HG GLN 71 3.540 -6.287 5.447 1255 1HE2 GLN 71 1HE2 GLN 71 1.046 -6.929 2.818 1256 2HE2 GLN 71 2HE2 GLN 71 0.288 -5.373 3.116 1257 H GLU 72 H GLU 72 6.518 -6.543 3.342 1258 HA GLU 72 HA GLU 72 6.200 -3.974 4.723 1259 1HB GLU 72 1HB GLU 72 8.745 -5.482 3.977 1260 2HB GLU 72 2HB GLU 72 8.568 -4.162 5.137 1261 1HG GLU 72 1HG GLU 72 7.527 -6.997 5.415 1262 2HG GLU 72 2HG GLU 72 8.652 -6.135 6.447 1263 H PHE 73 H PHE 73 7.518 -5.106 1.647 1264 HA PHE 73 HA PHE 73 8.257 -2.566 0.559 1265 1HB PHE 73 1HB PHE 73 8.943 -4.364 -0.681 1266 2HB PHE 73 2HB PHE 73 7.440 -5.235 -0.524 1267 HD1 PHE 73 HD1 PHE 73 9.223 -2.611 -2.432 1268 HD2 PHE 73 HD2 PHE 73 5.564 -4.873 -2.069 1269 HE1 PHE 73 HE1 PHE 73 8.632 -2.054 -4.777 1270 HE2 PHE 73 HE2 PHE 73 4.936 -4.208 -4.372 1271 HZ PHE 73 HZ PHE 73 6.514 -2.895 -5.768 1272 H MET 74 H MET 74 5.079 -4.260 0.517 1273 HA MET 74 HA MET 74 3.720 -2.243 -0.874 1274 1HB MET 74 1HB MET 74 3.083 -4.766 -0.119 1275 2HB MET 74 2HB MET 74 2.139 -3.872 1.077 1276 1HG MET 74 1HG MET 74 2.068 -3.595 -1.959 1277 2HG MET 74 2HG MET 74 0.844 -4.372 -0.950 1278 1HE MET 74 1HE MET 74 -0.980 -3.011 -2.331 1279 2HE MET 74 2HE MET 74 -0.969 -1.233 -2.457 1280 3HE MET 74 3HE MET 74 0.303 -2.188 -3.249 1281 H ALA 75 H ALA 75 4.085 -2.763 2.620 1282 HA ALA 75 HA ALA 75 2.492 -0.603 3.540 1283 1HB ALA 75 1HB ALA 75 5.027 -1.742 4.795 1284 2HB ALA 75 2HB ALA 75 3.794 -0.762 5.612 1285 3HB ALA 75 3HB ALA 75 3.382 -2.380 5.007 1286 H PHE 76 H PHE 76 5.934 -0.722 2.577 1287 HA PHE 76 HA PHE 76 6.507 2.046 3.129 1288 1HB PHE 76 1HB PHE 76 8.308 0.609 2.980 1289 2HB PHE 76 2HB PHE 76 7.799 -0.100 1.461 1290 HD1 PHE 76 HD1 PHE 76 9.671 2.717 2.989 1291 HD2 PHE 76 HD2 PHE 76 8.123 0.989 -0.668 1292 HE1 PHE 76 HE1 PHE 76 11.064 4.255 1.653 1293 HE2 PHE 76 HE2 PHE 76 9.552 2.494 -1.980 1294 HZ PHE 76 HZ PHE 76 11.001 4.171 -0.835 1295 H VAL 77 H VAL 77 5.560 0.353 0.117 1296 HA VAL 77 HA VAL 77 5.300 2.603 -1.551 1297 HB VAL 77 HB VAL 77 3.877 -0.056 -1.432 1298 1HG1 VAL 77 1HG1 VAL 77 3.030 0.461 -3.747 1299 2HG1 VAL 77 2HG1 VAL 77 2.236 1.416 -2.496 1300 3HG1 VAL 77 3HG1 VAL 77 3.503 2.152 -3.509 1301 1HG2 VAL 77 1HG2 VAL 77 5.836 1.131 -3.439 1302 2HG2 VAL 77 2HG2 VAL 77 6.285 0.019 -2.132 1303 3HG2 VAL 77 3HG2 VAL 77 5.205 -0.529 -3.423 1304 H ALA 78 H ALA 78 2.951 1.290 0.858 1305 HA ALA 78 HA ALA 78 0.836 3.023 0.216 1306 1HB ALA 78 1HB ALA 78 0.666 1.058 1.737 1307 2HB ALA 78 2HB ALA 78 1.498 1.997 3.001 1308 3HB ALA 78 3HB ALA 78 -0.075 2.530 2.388 1309 H MET 79 H MET 79 3.426 3.554 2.686 1310 HA MET 79 HA MET 79 2.434 6.210 3.243 1311 1HB MET 79 1HB MET 79 4.685 6.642 4.273 1312 2HB MET 79 2HB MET 79 3.623 5.429 5.001 1313 1HG MET 79 1HG MET 79 4.963 3.642 4.042 1314 2HG MET 79 2HG MET 79 6.062 4.829 3.285 1315 1HE MET 79 1HE MET 79 6.594 2.325 5.409 1316 2HE MET 79 2HE MET 79 7.897 3.229 4.575 1317 3HE MET 79 3HE MET 79 7.933 3.040 6.346 1318 H ILE 80 H ILE 80 4.915 5.034 0.953 1319 HA ILE 80 HA ILE 80 5.822 7.587 0.063 1320 HB ILE 80 HB ILE 80 5.498 4.923 -1.337 1321 1HG1 ILE 80 1HG1 ILE 80 7.096 5.242 0.695 1322 2HG1 ILE 80 2HG1 ILE 80 7.677 4.446 -0.771 1323 1HG2 ILE 80 1HG2 ILE 80 6.900 7.406 -2.385 1324 2HG2 ILE 80 2HG2 ILE 80 7.110 5.763 -3.035 1325 3HG2 ILE 80 3HG2 ILE 80 5.536 6.541 -3.117 1326 1HD1 ILE 80 1HD1 ILE 80 9.258 6.120 0.283 1327 2HD1 ILE 80 2HD1 ILE 80 8.921 6.395 -1.434 1328 3HD1 ILE 80 3HD1 ILE 80 8.121 7.390 -0.199 1329 H THR 81 H THR 81 3.183 5.547 -1.170 1330 HA THR 81 HA THR 81 2.241 7.302 -3.178 1331 HB THR 81 HB THR 81 0.774 5.182 -1.554 1332 HG1 THR 81 HG1 THR 81 2.506 4.327 -2.626 1333 1HG2 THR 81 1HG2 THR 81 -0.705 5.013 -3.552 1334 2HG2 THR 81 2HG2 THR 81 -0.822 6.596 -2.758 1335 3HG2 THR 81 3HG2 THR 81 0.089 6.429 -4.254 1336 H THR 82 H THR 82 1.258 6.922 0.278 1337 HA THR 82 HA THR 82 -0.784 8.891 0.288 1338 HB THR 82 HB THR 82 1.121 8.091 2.527 1339 HG1 THR 82 HG1 THR 82 -0.042 6.347 1.685 1340 1HG2 THR 82 1HG2 THR 82 -0.722 8.836 4.011 1341 2HG2 THR 82 2HG2 THR 82 -0.051 10.181 3.086 1342 3HG2 THR 82 3HG2 THR 82 -1.598 9.464 2.596 1343 H ALA 83 H ALA 83 2.740 9.214 1.045 1344 HA ALA 83 HA ALA 83 2.679 11.981 1.600 1345 1HB ALA 83 1HB ALA 83 5.097 11.923 1.145 1346 2HB ALA 83 2HB ALA 83 4.591 10.530 2.119 1347 3HB ALA 83 3HB ALA 83 4.934 10.327 0.385 1348 H CYS 84 H CYS 84 3.228 10.251 -1.543 1349 HA CYS 84 HA CYS 84 3.519 12.638 -3.031 1350 1HB CYS 84 1HB CYS 84 4.174 10.589 -4.015 1351 2HB CYS 84 2HB CYS 84 2.498 9.961 -4.015 1352 HG CYS 84 HG CYS 84 3.557 10.976 -6.392 1353 H HIS 85 H HIS 85 0.592 10.643 -2.607 1354 HA HIS 85 HA HIS 85 -1.387 12.027 -3.913 1355 1HB HIS 85 1HB HIS 85 -1.703 9.889 -2.798 1356 2HB HIS 85 2HB HIS 85 -1.448 10.612 -1.221 1357 HD1 HIS 85 HD1 HIS 85 -4.212 9.536 -3.314 1358 HD2 HIS 85 HD2 HIS 85 -3.412 12.387 -0.332 1359 HE1 HIS 85 HE1 HIS 85 -6.441 10.122 -2.250 1360 H GLU 86 H GLU 86 -0.195 12.691 -0.606 1361 HA GLU 86 HA GLU 86 -1.933 14.782 0.025 1362 1HB GLU 86 1HB GLU 86 0.919 14.248 0.906 1363 2HB GLU 86 2HB GLU 86 -0.022 15.592 1.555 1364 1HG GLU 86 1HG GLU 86 -1.030 12.715 1.650 1365 2HG GLU 86 2HG GLU 86 -0.081 13.471 2.936 1366 H PHE 87 H PHE 87 0.470 15.013 -2.485 1367 HA PHE 87 HA PHE 87 0.943 17.773 -2.491 1368 1HB PHE 87 1HB PHE 87 1.547 17.646 -4.626 1369 2HB PHE 87 2HB PHE 87 1.692 15.958 -4.221 1370 HD1 PHE 87 HD1 PHE 87 0.169 14.313 -5.358 1371 HD2 PHE 87 HD2 PHE 87 -0.286 18.565 -5.987 1372 HE1 PHE 87 HE1 PHE 87 -1.273 13.874 -7.308 1373 HE2 PHE 87 HE2 PHE 87 -1.762 18.112 -7.914 1374 HZ PHE 87 HZ PHE 87 -2.257 15.772 -8.590 1375 H PHE 88 H PHE 88 -1.997 15.957 -3.231 1376 HA PHE 88 HA PHE 88 -3.542 17.933 -4.468 1377 1HB PHE 88 1HB PHE 88 -4.054 15.419 -2.957 1378 2HB PHE 88 2HB PHE 88 -5.390 16.567 -2.925 1379 HD1 PHE 88 HD1 PHE 88 -3.328 14.460 -5.181 1380 HD2 PHE 88 HD2 PHE 88 -6.605 17.234 -4.848 1381 HE1 PHE 88 HE1 PHE 88 -4.038 13.898 -7.494 1382 HE2 PHE 88 HE2 PHE 88 -7.340 16.644 -7.159 1383 HZ PHE 88 HZ PHE 88 -6.055 14.972 -8.479 1384 H GLU 89 H GLU 89 -2.626 17.753 -1.042 1385 HA GLU 89 HA GLU 89 -4.763 19.338 -0.039 1386 1HB GLU 89 1HB GLU 89 -1.844 19.165 0.872 1387 2HB GLU 89 2HB GLU 89 -3.145 19.904 1.803 1388 1HG GLU 89 1HG GLU 89 -2.996 16.958 0.995 1389 2HG GLU 89 2HG GLU 89 -2.665 17.624 2.591 1390 H HIS 90 H HIS 90 -1.801 20.150 -1.811 1391 HA HIS 90 HA HIS 90 -2.908 22.883 -2.242 1392 1HB HIS 90 1HB HIS 90 -1.013 23.097 -0.677 1393 2HB HIS 90 2HB HIS 90 0.032 22.273 -1.838 1394 HD1 HIS 90 HD1 HIS 90 0.077 23.593 -4.348 1395 HD2 HIS 90 HD2 HIS 90 -1.222 25.696 -0.956 1396 HE1 HIS 90 HE1 HIS 90 0.251 26.102 -4.927 1397 H GLU 91 H GLU 91 -3.879 21.349 -3.849 1398 HA GLU 91 HA GLU 91 -2.910 19.889 -5.798 1399 1HB GLU 91 1HB GLU 91 -4.789 22.226 -6.366 1400 2HB GLU 91 2HB GLU 91 -4.584 20.780 -7.366 1401 1HG GLU 91 1HG GLU 91 -5.313 19.385 -5.388 1402 2HG GLU 91 2HG GLU 91 -5.731 20.889 -4.543 1403 1H LYS 62 H1 LYS 62 -24.206 -30.357 9.551 1404 2H LYS 62 H2 LYS 62 -25.697 -29.946 9.010 1405 3H LYS 62 H3 LYS 62 -24.986 -29.048 10.202 1406 HA LYS 62 HA LYS 62 -24.927 -27.934 8.097 1407 1HB LYS 62 1HB LYS 62 -22.502 -27.439 8.054 1408 2HB LYS 62 2HB LYS 62 -23.200 -27.416 9.675 1409 1HG LYS 62 1HG LYS 62 -22.225 -29.590 10.208 1410 2HG LYS 62 2HG LYS 62 -21.714 -29.824 8.535 1411 1HD LYS 62 1HD LYS 62 -19.818 -29.171 9.937 1412 2HD LYS 62 2HD LYS 62 -20.126 -27.989 8.665 1413 1HE LYS 62 1HE LYS 62 -19.568 -26.923 10.826 1414 2HE LYS 62 2HE LYS 62 -21.177 -26.454 10.271 1415 1HZ LYS 62 1HZ LYS 62 -21.136 -27.004 12.593 1416 2HZ LYS 62 2HZ LYS 62 -22.096 -28.065 11.778 1417 3HZ LYS 62 3HZ LYS 62 -20.593 -28.527 12.274 1418 H ARG 63 H ARG 63 -23.410 -27.818 6.083 1419 HA ARG 63 HA ARG 63 -23.254 -30.475 4.745 1420 1HB ARG 63 1HB ARG 63 -25.332 -28.893 4.194 1421 2HB ARG 63 2HB ARG 63 -24.145 -27.976 3.287 1422 1HG ARG 63 1HG ARG 63 -24.881 -29.409 1.628 1423 2HG ARG 63 2HG ARG 63 -23.574 -30.414 2.267 1424 1HD ARG 63 1HD ARG 63 -26.563 -30.574 2.866 1425 2HD ARG 63 2HD ARG 63 -25.600 -31.764 2.006 1426 HE ARG 63 HE ARG 63 -25.504 -31.087 4.930 1427 1HH1 ARG 63 2HH2 ARG 63 -24.851 -33.552 2.453 1428 2HH1 ARG 63 1HH2 ARG 63 -24.071 -34.621 3.582 1429 1HH2 ARG 63 2HH1 ARG 63 -24.374 -32.356 6.301 1430 2HH2 ARG 63 1HH1 ARG 63 -23.884 -33.980 5.853 1431 H LEU 64 H LEU 64 -21.182 -30.834 4.443 1432 HA LEU 64 HA LEU 64 -19.131 -29.041 4.755 1433 1HB LEU 64 1HB LEU 64 -18.956 -31.510 4.803 1434 2HB LEU 64 2HB LEU 64 -19.200 -31.563 3.052 1435 HG LEU 64 HG LEU 64 -17.060 -30.362 2.711 1436 1HD1 LEU 64 1HD1 LEU 64 -16.866 -29.068 4.804 1437 2HD1 LEU 64 2HD1 LEU 64 -16.797 -30.572 5.748 1438 3HD1 LEU 64 3HD1 LEU 64 -15.479 -30.144 4.639 1439 1HD2 LEU 64 1HD2 LEU 64 -17.130 -32.821 2.733 1440 2HD2 LEU 64 2HD2 LEU 64 -15.595 -32.227 3.392 1441 3HD2 LEU 64 3HD2 LEU 64 -16.855 -32.826 4.489 1442 H ARG 65 H ARG 65 -17.986 -27.652 3.482 1443 HA ARG 65 HA ARG 65 -17.475 -26.188 1.879 1444 1HB ARG 65 1HB ARG 65 -18.492 -28.306 -0.054 1445 2HB ARG 65 2HB ARG 65 -17.789 -26.768 -0.543 1446 1HG ARG 65 1HG ARG 65 -15.688 -27.246 0.507 1447 2HG ARG 65 2HG ARG 65 -16.316 -28.706 1.285 1448 1HD ARG 65 1HD ARG 65 -16.183 -28.306 -1.735 1449 2HD ARG 65 2HD ARG 65 -14.923 -29.114 -0.817 1450 HE ARG 65 HE ARG 65 -17.563 -30.137 -1.544 1451 1HH1 ARG 65 2HH2 ARG 65 -14.864 -30.528 0.706 1452 2HH1 ARG 65 1HH2 ARG 65 -15.201 -32.204 1.041 1453 1HH2 ARG 65 2HH1 ARG 65 -18.045 -32.309 -1.075 1454 2HH2 ARG 65 1HH1 ARG 65 -17.047 -33.229 0.016 1455 H ARG 66 H ARG 66 -20.667 -27.547 0.934 1456 HA ARG 66 HA ARG 66 -21.672 -25.263 -0.262 1457 1HB ARG 66 1HB ARG 66 -22.700 -27.461 -0.414 1458 2HB ARG 66 2HB ARG 66 -23.142 -27.420 1.288 1459 1HG ARG 66 1HG ARG 66 -25.031 -26.953 -0.272 1460 2HG ARG 66 2HG ARG 66 -24.778 -25.683 0.926 1461 1HD ARG 66 1HD ARG 66 -25.289 -24.861 -1.394 1462 2HD ARG 66 2HD ARG 66 -23.804 -24.207 -0.694 1463 HE ARG 66 HE ARG 66 -23.294 -26.585 -2.261 1464 1HH1 ARG 66 1HH2 ARG 66 -24.033 -23.144 -2.588 1465 2HH1 ARG 66 2HH2 ARG 66 -23.106 -22.941 -4.052 1466 1HH2 ARG 66 2HH1 ARG 66 -22.094 -26.328 -4.196 1467 2HH2 ARG 66 1HH1 ARG 66 -22.028 -24.779 -4.996 1468 H SER 67 H SER 67 -21.777 -26.088 3.230 1469 HA SER 67 HA SER 67 -23.384 -23.892 4.055 1470 1HB SER 67 1HB SER 67 -21.139 -25.230 5.613 1471 2HB SER 67 2HB SER 67 -22.450 -24.239 6.280 1472 HG SER 67 HG SER 67 -22.784 -26.618 4.773 1473 H ALA 68 H ALA 68 -19.942 -24.025 3.193 1474 HA ALA 68 HA ALA 68 -19.316 -21.372 4.264 1475 1HB ALA 68 1HB ALA 68 -17.148 -21.712 3.289 1476 2HB ALA 68 2HB ALA 68 -17.618 -23.165 4.185 1477 3HB ALA 68 3HB ALA 68 -17.693 -23.150 2.409 1478 H HIS 69 H HIS 69 -19.912 -22.977 1.116 1479 HA HIS 69 HA HIS 69 -19.676 -20.685 -0.545 1480 1HB HIS 69 1HB HIS 69 -19.779 -23.148 -1.182 1481 2HB HIS 69 2HB HIS 69 -21.535 -23.042 -0.994 1482 HD1 HIS 69 HD1 HIS 69 -21.692 -20.074 -2.468 1483 HD2 HIS 69 HD2 HIS 69 -19.849 -23.625 -3.784 1484 HE1 HIS 69 HE1 HIS 69 -21.615 -19.960 -5.024 1485 H ALA 70 H ALA 70 -22.312 -21.817 1.522 1486 HA ALA 70 HA ALA 70 -24.312 -20.025 0.496 1487 1HB ALA 70 1HB ALA 70 -24.855 -22.131 1.628 1488 2HB ALA 70 2HB ALA 70 -24.156 -21.513 3.140 1489 3HB ALA 70 3HB ALA 70 -25.601 -20.748 2.450 1490 H ARG 71 H ARG 71 -21.507 -19.262 2.357 1491 HA ARG 71 HA ARG 71 -22.782 -17.254 4.049 1492 1HB ARG 71 1HB ARG 71 -19.854 -17.596 3.341 1493 2HB ARG 71 2HB ARG 71 -20.533 -16.604 4.641 1494 1HG ARG 71 1HG ARG 71 -20.612 -19.628 4.480 1495 2HG ARG 71 2HG ARG 71 -19.562 -18.643 5.498 1496 1HD ARG 71 1HD ARG 71 -21.214 -19.329 6.961 1497 2HD ARG 71 2HD ARG 71 -21.760 -17.717 6.532 1498 HE ARG 71 HE ARG 71 -22.690 -20.312 5.293 1499 1HH1 ARG 71 2HH1 ARG 71 -23.585 -17.003 6.339 1500 2HH1 ARG 71 1HH1 ARG 71 -25.289 -17.311 6.198 1501 1HH2 ARG 71 2HH2 ARG 71 -24.893 -20.638 5.065 1502 2HH2 ARG 71 1HH2 ARG 71 -26.042 -19.361 5.366 1503 H LYS 72 H LYS 72 -23.994 -16.477 2.141 1504 HA LYS 72 HA LYS 72 -23.168 -15.130 -0.082 1505 1HB LYS 72 1HB LYS 72 -25.429 -14.461 1.820 1506 2HB LYS 72 2HB LYS 72 -25.207 -13.671 0.247 1507 1HG LYS 72 1HG LYS 72 -25.327 -15.800 -0.928 1508 2HG LYS 72 2HG LYS 72 -25.441 -16.686 0.604 1509 1HD LYS 72 1HD LYS 72 -27.589 -15.533 1.116 1510 2HD LYS 72 2HD LYS 72 -27.463 -14.632 -0.404 1511 1HE LYS 72 1HE LYS 72 -28.989 -16.514 -0.688 1512 2HE LYS 72 2HE LYS 72 -27.548 -16.765 -1.685 1513 1HZ LYS 72 1HZ LYS 72 -28.043 -17.981 0.949 1514 2HZ LYS 72 2HZ LYS 72 -28.209 -18.739 -0.505 1515 3HZ LYS 72 3HZ LYS 72 -26.722 -18.247 0.003 1516 H GLU 73 H GLU 73 -23.465 -13.629 3.125 1517 HA GLU 73 HA GLU 73 -22.679 -11.051 2.693 1518 1HB GLU 73 1HB GLU 73 -21.757 -11.117 4.995 1519 2HB GLU 73 2HB GLU 73 -23.395 -11.738 4.857 1520 1HG GLU 73 1HG GLU 73 -20.969 -13.604 4.919 1521 2HG GLU 73 2HG GLU 73 -21.706 -12.961 6.380 1522 H THR 74 H THR 74 -20.538 -13.855 2.582 1523 HA THR 74 HA THR 74 -18.165 -12.134 2.036 1524 HB THR 74 HB THR 74 -17.051 -14.354 2.905 1525 HG1 THR 74 HG1 THR 74 -19.300 -15.342 2.976 1526 1HG2 THR 74 1HG2 THR 74 -18.581 -12.521 4.803 1527 2HG2 THR 74 2HG2 THR 74 -17.212 -13.565 5.233 1528 3HG2 THR 74 3HG2 THR 74 -16.970 -12.202 4.122 1529 H GLU 75 H GLU 75 -20.382 -13.699 0.189 1530 HA GLU 75 HA GLU 75 -18.653 -15.591 -1.114 1531 1HB GLU 75 1HB GLU 75 -21.320 -14.387 -1.913 1532 2HB GLU 75 2HB GLU 75 -20.401 -15.417 -3.021 1533 1HG GLU 75 1HG GLU 75 -21.253 -16.245 -0.235 1534 2HG GLU 75 2HG GLU 75 -22.036 -16.758 -1.735 1535 H PHE 76 H PHE 76 -19.151 -12.173 -1.641 1536 HA PHE 76 HA PHE 76 -17.754 -11.909 -4.064 1537 1HB PHE 76 1HB PHE 76 -17.238 -9.929 -1.859 1538 2HB PHE 76 2HB PHE 76 -17.528 -9.651 -3.569 1539 HD1 PHE 76 HD1 PHE 76 -19.936 -10.143 -4.450 1540 HD2 PHE 76 HD2 PHE 76 -18.995 -9.941 -0.240 1541 HE1 PHE 76 HE1 PHE 76 -22.311 -10.470 -3.903 1542 HE2 PHE 76 HE2 PHE 76 -21.355 -10.383 0.291 1543 HZ PHE 76 HZ PHE 76 -23.021 -10.626 -1.493 1544 H LEU 77 H LEU 77 -16.592 -12.553 -0.806 1545 HA LEU 77 HA LEU 77 -13.740 -12.355 -1.534 1546 1HB LEU 77 1HB LEU 77 -15.238 -12.871 1.070 1547 2HB LEU 77 2HB LEU 77 -13.498 -12.996 0.926 1548 HG LEU 77 HG LEU 77 -14.270 -10.911 1.945 1549 1HD1 LEU 77 1HD1 LEU 77 -12.744 -9.423 0.746 1550 2HD1 LEU 77 2HD1 LEU 77 -12.072 -11.051 0.906 1551 3HD1 LEU 77 3HD1 LEU 77 -12.734 -10.517 -0.652 1552 1HD2 LEU 77 1HD2 LEU 77 -15.210 -10.000 -0.784 1553 2HD2 LEU 77 2HD2 LEU 77 -16.307 -10.524 0.528 1554 3HD2 LEU 77 3HD2 LEU 77 -15.259 -9.109 0.742 1555 H ARG 78 H ARG 78 -16.133 -14.709 -1.977 1556 HA ARG 78 HA ARG 78 -14.941 -17.098 -1.058 1557 1HB ARG 78 1HB ARG 78 -17.172 -16.952 -2.002 1558 2HB ARG 78 2HB ARG 78 -16.520 -16.637 -3.617 1559 1HG ARG 78 1HG ARG 78 -15.634 -19.123 -2.135 1560 2HG ARG 78 2HG ARG 78 -17.279 -19.046 -2.761 1561 1HD ARG 78 1HD ARG 78 -16.386 -18.517 -5.056 1562 2HD ARG 78 2HD ARG 78 -14.749 -18.700 -4.438 1563 HE ARG 78 HE ARG 78 -14.931 -20.951 -4.439 1564 1HH1 ARG 78 2HH1 ARG 78 -18.177 -19.581 -4.720 1565 2HH1 ARG 78 1HH1 ARG 78 -18.958 -21.104 -5.071 1566 1HH2 ARG 78 1HH2 ARG 78 -15.933 -22.951 -4.910 1567 2HH2 ARG 78 2HH2 ARG 78 -17.648 -23.038 -5.221 1568 H LEU 79 H LEU 79 -14.257 -15.048 -3.841 1569 HA LEU 79 HA LEU 79 -12.360 -16.699 -5.168 1570 1HB LEU 79 1HB LEU 79 -12.825 -13.700 -4.996 1571 2HB LEU 79 2HB LEU 79 -11.508 -14.388 -5.936 1572 HG LEU 79 HG LEU 79 -13.588 -13.818 -7.220 1573 1HD1 LEU 79 1HD1 LEU 79 -11.857 -15.339 -8.107 1574 2HD1 LEU 79 2HD1 LEU 79 -12.713 -16.731 -7.412 1575 3HD1 LEU 79 3HD1 LEU 79 -13.479 -15.756 -8.678 1576 1HD2 LEU 79 1HD2 LEU 79 -14.771 -16.353 -5.998 1577 2HD2 LEU 79 2HD2 LEU 79 -15.292 -14.697 -5.599 1578 3HD2 LEU 79 3HD2 LEU 79 -15.484 -15.337 -7.242 1579 H LYS 80 H LYS 80 -11.837 -14.069 -2.744 1580 HA LYS 80 HA LYS 80 -9.058 -14.380 -2.413 1581 1HB LYS 80 1HB LYS 80 -10.540 -12.549 -1.539 1582 2HB LYS 80 2HB LYS 80 -11.027 -13.646 -0.237 1583 1HG LYS 80 1HG LYS 80 -8.580 -13.860 0.397 1584 2HG LYS 80 2HG LYS 80 -8.207 -12.651 -0.853 1585 1HD LYS 80 1HD LYS 80 -9.767 -11.055 0.272 1586 2HD LYS 80 2HD LYS 80 -10.107 -12.291 1.501 1587 1HE LYS 80 1HE LYS 80 -8.536 -10.789 2.490 1588 2HE LYS 80 2HE LYS 80 -7.636 -12.264 2.104 1589 1HZ LYS 80 1HZ LYS 80 -7.693 -9.775 0.540 1590 2HZ LYS 80 2HZ LYS 80 -6.886 -11.142 0.098 1591 3HZ LYS 80 3HZ LYS 80 -6.439 -10.323 1.457 1592 H ARG 81 H ARG 81 -11.758 -15.938 -0.649 1593 HA ARG 81 HA ARG 81 -10.271 -17.595 1.096 1594 1HB ARG 81 1HB ARG 81 -13.009 -17.922 -0.176 1595 2HB ARG 81 2HB ARG 81 -12.393 -19.009 1.067 1596 1HG ARG 81 1HG ARG 81 -12.502 -17.429 2.751 1597 2HG ARG 81 2HG ARG 81 -12.295 -16.059 1.662 1598 1HD ARG 81 1HD ARG 81 -14.553 -16.150 2.669 1599 2HD ARG 81 2HD ARG 81 -14.551 -16.141 0.911 1600 HE ARG 81 HE ARG 81 -14.665 -18.789 2.172 1601 1HH1 ARG 81 2HH2 ARG 81 -16.671 -16.112 0.800 1602 2HH1 ARG 81 1HH2 ARG 81 -18.041 -17.179 0.608 1603 1HH2 ARG 81 1HH1 ARG 81 -16.547 -20.008 2.011 1604 2HH2 ARG 81 2HH1 ARG 81 -18.063 -19.291 1.522 1605 H THR 82 H THR 82 -11.418 -18.245 -2.252 1606 HA THR 82 HA THR 82 -10.362 -20.894 -2.417 1607 HB THR 82 HB THR 82 -10.907 -18.879 -4.641 1608 HG1 THR 82 HG1 THR 82 -12.718 -19.361 -3.369 1609 1HG2 THR 82 1HG2 THR 82 -9.494 -20.714 -5.462 1610 2HG2 THR 82 2HG2 THR 82 -10.578 -21.906 -4.707 1611 3HG2 THR 82 3HG2 THR 82 -11.155 -20.899 -6.052 1612 H ARG 83 H ARG 83 -8.939 -17.682 -3.335 1613 HA ARG 83 HA ARG 83 -6.535 -18.737 -4.420 1614 1HB ARG 83 1HB ARG 83 -7.136 -16.109 -3.020 1615 2HB ARG 83 2HB ARG 83 -5.652 -16.458 -3.904 1616 1HG ARG 83 1HG ARG 83 -6.846 -16.703 -6.009 1617 2HG ARG 83 2HG ARG 83 -8.400 -16.560 -5.199 1618 1HD ARG 83 1HD ARG 83 -7.246 -14.249 -4.326 1619 2HD ARG 83 2HD ARG 83 -6.418 -14.404 -5.865 1620 HE ARG 83 HE ARG 83 -9.182 -13.706 -5.317 1621 1HH1 ARG 83 2HH2 ARG 83 -7.183 -15.240 -7.791 1622 2HH1 ARG 83 1HH2 ARG 83 -8.153 -14.648 -9.120 1623 1HH2 ARG 83 2HH1 ARG 83 -10.433 -12.936 -7.009 1624 2HH2 ARG 83 1HH1 ARG 83 -10.012 -13.220 -8.669 1625 H LEU 84 H LEU 84 -7.476 -17.871 -1.033 1626 HA LEU 84 HA LEU 84 -4.896 -18.546 0.050 1627 1HB LEU 84 1HB LEU 84 -6.556 -17.138 1.157 1628 2HB LEU 84 2HB LEU 84 -7.635 -18.512 1.394 1629 HG LEU 84 HG LEU 84 -4.802 -18.720 2.436 1630 1HD1 LEU 84 1HD1 LEU 84 -5.475 -16.462 3.129 1631 2HD1 LEU 84 2HD1 LEU 84 -6.999 -17.098 3.788 1632 3HD1 LEU 84 3HD1 LEU 84 -5.445 -17.557 4.521 1633 1HD2 LEU 84 1HD2 LEU 84 -7.512 -19.580 3.567 1634 2HD2 LEU 84 2HD2 LEU 84 -6.376 -20.650 2.726 1635 3HD2 LEU 84 3HD2 LEU 84 -5.926 -19.938 4.277 1636 H GLY 85 H GLY 85 -7.845 -20.448 -0.535 1637 1HA GLY 85 1HA GLY 85 -7.055 -22.923 0.543 1638 2HA GLY 85 2HA GLY 85 -8.126 -22.691 -0.850 1639 H LEU 86 H LEU 86 -6.275 -21.433 -2.583 1640 HA LEU 86 HA LEU 86 -5.299 -23.383 -4.141 1641 1HB LEU 86 1HB LEU 86 -5.369 -20.878 -4.485 1642 2HB LEU 86 2HB LEU 86 -3.763 -20.790 -3.743 1643 HG LEU 86 HG LEU 86 -4.402 -22.375 -6.259 1644 1HD1 LEU 86 1HD1 LEU 86 -3.391 -20.464 -7.453 1645 2HD1 LEU 86 2HD1 LEU 86 -4.839 -19.962 -6.563 1646 3HD1 LEU 86 3HD1 LEU 86 -3.230 -19.585 -5.918 1647 1HD2 LEU 86 1HD2 LEU 86 -1.776 -21.495 -4.956 1648 2HD2 LEU 86 2HD2 LEU 86 -2.320 -23.171 -5.225 1649 3HD2 LEU 86 3HD2 LEU 86 -1.916 -22.162 -6.598 1650 H GLU 87 H GLU 87 -3.151 -21.737 -1.722 1651 HA GLU 87 HA GLU 87 -1.782 -24.233 -1.170 1652 1HB GLU 87 1HB GLU 87 -0.703 -23.450 -3.329 1653 2HB GLU 87 2HB GLU 87 -0.162 -21.991 -2.481 1654 1HG GLU 87 1HG GLU 87 1.156 -23.414 -0.919 1655 2HG GLU 87 2HG GLU 87 0.498 -24.867 -1.682 1656 1H LYS 62 H1 LYS 62 17.711 21.562 10.154 1657 2H LYS 62 H2 LYS 62 16.176 21.114 9.766 1658 3H LYS 62 H3 LYS 62 16.581 22.715 9.845 1659 HA LYS 62 HA LYS 62 17.684 20.805 7.932 1660 1HB LYS 62 1HB LYS 62 15.650 23.039 7.524 1661 2HB LYS 62 2HB LYS 62 16.420 22.097 6.236 1662 1HG LYS 62 1HG LYS 62 15.400 20.018 7.091 1663 2HG LYS 62 2HG LYS 62 14.658 20.913 8.420 1664 1HD LYS 62 1HD LYS 62 13.016 20.520 6.676 1665 2HD LYS 62 2HD LYS 62 13.305 22.244 6.905 1666 1HE LYS 62 1HE LYS 62 13.072 21.625 4.520 1667 2HE LYS 62 2HE LYS 62 14.646 22.346 4.847 1668 1HZ LYS 62 1HZ LYS 62 15.575 20.143 4.877 1669 2HZ LYS 62 2HZ LYS 62 14.091 19.466 4.635 1670 3HZ LYS 62 3HZ LYS 62 14.769 20.399 3.462 1671 H ARG 63 H ARG 63 18.759 21.964 6.127 1672 HA ARG 63 HA ARG 63 20.264 23.315 5.198 1673 1HB ARG 63 1HB ARG 63 18.929 25.492 6.848 1674 2HB ARG 63 2HB ARG 63 19.974 25.727 5.439 1675 1HG ARG 63 1HG ARG 63 18.346 24.430 4.046 1676 2HG ARG 63 2HG ARG 63 17.280 24.293 5.457 1677 1HD ARG 63 1HD ARG 63 18.105 26.869 4.053 1678 2HD ARG 63 2HD ARG 63 16.532 26.098 4.030 1679 HE ARG 63 HE ARG 63 16.090 26.676 6.246 1680 1HH1 ARG 63 2HH2 ARG 63 19.218 28.017 5.224 1681 2HH1 ARG 63 1HH2 ARG 63 19.264 29.196 6.503 1682 1HH2 ARG 63 2HH1 ARG 63 16.192 28.170 7.927 1683 2HH2 ARG 63 1HH1 ARG 63 17.530 29.274 8.069 1684 H LEU 64 H LEU 64 20.182 24.789 8.463 1685 HA LEU 64 HA LEU 64 22.941 25.547 8.476 1686 1HB LEU 64 1HB LEU 64 20.904 25.088 10.685 1687 2HB LEU 64 2HB LEU 64 22.549 25.623 11.011 1688 HG LEU 64 HG LEU 64 20.992 27.462 11.054 1689 1HD1 LEU 64 1HD1 LEU 64 22.210 29.045 9.712 1690 2HD1 LEU 64 2HD1 LEU 64 23.349 27.846 10.349 1691 3HD1 LEU 64 3HD1 LEU 64 22.834 27.776 8.650 1692 1HD2 LEU 64 1HD2 LEU 64 19.346 26.632 9.362 1693 2HD2 LEU 64 2HD2 LEU 64 19.815 28.328 9.156 1694 3HD2 LEU 64 3HD2 LEU 64 20.492 27.101 8.078 1695 H ARG 65 H ARG 65 21.267 22.694 9.577 1696 HA ARG 65 HA ARG 65 23.022 21.087 10.859 1697 1HB ARG 65 1HB ARG 65 21.428 20.222 8.419 1698 2HB ARG 65 2HB ARG 65 21.954 19.186 9.739 1699 1HG ARG 65 1HG ARG 65 19.855 21.399 9.902 1700 2HG ARG 65 2HG ARG 65 19.571 19.671 9.821 1701 1HD ARG 65 1HD ARG 65 19.257 20.324 12.105 1702 2HD ARG 65 2HD ARG 65 20.711 19.348 11.999 1703 HE ARG 65 HE ARG 65 21.935 21.100 12.781 1704 1HH1 ARG 65 2HH2 ARG 65 18.866 22.407 11.622 1705 2HH1 ARG 65 1HH2 ARG 65 19.207 24.039 12.117 1706 1HH2 ARG 65 2HH1 ARG 65 22.397 23.211 13.447 1707 2HH2 ARG 65 1HH1 ARG 65 21.255 24.499 13.194 1708 H ARG 66 H ARG 66 23.310 21.906 7.386 1709 HA ARG 66 HA ARG 66 25.155 19.995 6.576 1710 1HB ARG 66 1HB ARG 66 25.743 21.423 4.807 1711 2HB ARG 66 2HB ARG 66 24.028 21.676 5.149 1712 1HG ARG 66 1HG ARG 66 24.775 23.740 6.521 1713 2HG ARG 66 2HG ARG 66 26.380 23.506 5.820 1714 1HD ARG 66 1HD ARG 66 25.464 23.671 3.548 1715 2HD ARG 66 2HD ARG 66 23.829 23.877 4.179 1716 HE ARG 66 HE ARG 66 25.932 25.862 3.975 1717 1HH1 ARG 66 1HH2 ARG 66 23.119 24.945 5.908 1718 2HH1 ARG 66 2HH2 ARG 66 22.701 26.589 6.331 1719 1HH2 ARG 66 2HH1 ARG 66 25.445 28.005 4.594 1720 2HH2 ARG 66 1HH1 ARG 66 24.069 28.347 5.606 1721 H SER 67 H SER 67 25.715 22.941 8.466 1722 HA SER 67 HA SER 67 28.515 23.081 8.318 1723 1HB SER 67 1HB SER 67 26.868 23.852 10.755 1724 2HB SER 67 2HB SER 67 28.347 24.603 10.130 1725 HG SER 67 HG SER 67 25.699 24.720 9.149 1726 H ALA 68 H ALA 68 26.397 21.088 10.347 1727 HA ALA 68 HA ALA 68 28.662 20.129 12.020 1728 1HB ALA 68 1HB ALA 68 26.885 18.934 13.244 1729 2HB ALA 68 2HB ALA 68 26.582 20.682 13.167 1730 3HB ALA 68 3HB ALA 68 25.670 19.577 12.120 1731 H HIS 69 H HIS 69 26.473 19.147 9.396 1732 HA HIS 69 HA HIS 69 28.063 16.888 8.632 1733 1HB HIS 69 1HB HIS 69 26.315 15.156 9.118 1734 2HB HIS 69 2HB HIS 69 27.184 15.745 10.528 1735 HD1 HIS 69 HD1 HIS 69 24.813 18.408 10.198 1736 HD2 HIS 69 HD2 HIS 69 24.632 14.339 11.267 1737 HE1 HIS 69 HE1 HIS 69 22.805 18.143 11.749 1738 H ALA 70 H ALA 70 27.716 16.676 6.483 1739 HA ALA 70 HA ALA 70 25.688 18.122 5.061 1740 1HB ALA 70 1HB ALA 70 26.417 16.742 3.153 1741 2HB ALA 70 2HB ALA 70 27.811 17.452 4.015 1742 3HB ALA 70 3HB ALA 70 27.382 15.733 4.247 1743 H ARG 71 H ARG 71 23.523 17.598 5.257 1744 HA ARG 71 HA ARG 71 22.771 14.985 6.141 1745 1HB ARG 71 1HB ARG 71 21.056 17.334 5.252 1746 2HB ARG 71 2HB ARG 71 20.464 15.895 6.085 1747 1HG ARG 71 1HG ARG 71 22.367 17.993 7.196 1748 2HG ARG 71 2HG ARG 71 20.733 17.582 7.733 1749 1HD ARG 71 1HD ARG 71 23.285 15.956 8.085 1750 2HD ARG 71 2HD ARG 71 22.203 16.628 9.284 1751 HE ARG 71 HE ARG 71 21.432 14.438 7.419 1752 1HH1 ARG 71 2HH1 ARG 71 21.919 15.286 10.844 1753 2HH1 ARG 71 1HH1 ARG 71 20.597 14.296 11.386 1754 1HH2 ARG 71 1HH2 ARG 71 19.545 13.324 8.154 1755 2HH2 ARG 71 2HH2 ARG 71 19.367 13.021 9.864 1756 H LYS 72 H LYS 72 24.069 14.591 3.715 1757 HA LYS 72 HA LYS 72 22.388 14.562 1.423 1758 1HB LYS 72 1HB LYS 72 24.875 14.416 1.448 1759 2HB LYS 72 2HB LYS 72 24.757 12.738 2.014 1760 1HG LYS 72 1HG LYS 72 23.425 12.184 -0.050 1761 2HG LYS 72 2HG LYS 72 23.625 13.847 -0.610 1762 1HD LYS 72 1HD LYS 72 25.882 11.852 -0.078 1763 2HD LYS 72 2HD LYS 72 25.197 12.246 -1.663 1764 1HE LYS 72 1HE LYS 72 25.894 14.644 -1.333 1765 2HE LYS 72 2HE LYS 72 26.713 14.165 0.169 1766 1HZ LYS 72 1HZ LYS 72 28.209 14.230 -1.655 1767 2HZ LYS 72 2HZ LYS 72 28.067 12.683 -1.106 1768 3HZ LYS 72 3HZ LYS 72 27.319 13.136 -2.505 1769 H GLU 73 H GLU 73 23.032 12.115 3.931 1770 HA GLU 73 HA GLU 73 21.499 10.028 2.782 1771 1HB GLU 73 1HB GLU 73 21.359 9.178 5.182 1772 2HB GLU 73 2HB GLU 73 22.937 9.316 4.411 1773 1HG GLU 73 1HG GLU 73 22.987 10.022 6.761 1774 2HG GLU 73 2HG GLU 73 23.486 11.322 5.691 1775 H THR 74 H THR 74 20.350 13.006 4.148 1776 HA THR 74 HA THR 74 17.664 11.888 4.705 1777 HB THR 74 HB THR 74 18.611 14.765 4.898 1778 HG1 THR 74 HG1 THR 74 19.859 13.319 6.186 1779 1HG2 THR 74 1HG2 THR 74 16.159 14.538 5.007 1780 2HG2 THR 74 2HG2 THR 74 16.317 13.247 6.220 1781 3HG2 THR 74 3HG2 THR 74 16.810 14.906 6.608 1782 H GLU 75 H GLU 75 19.433 13.153 2.015 1783 HA GLU 75 HA GLU 75 17.826 15.023 0.818 1784 1HB GLU 75 1HB GLU 75 20.047 14.343 0.033 1785 2HB GLU 75 2HB GLU 75 19.423 12.759 -0.453 1786 1HG GLU 75 1HG GLU 75 17.965 13.873 -2.143 1787 2HG GLU 75 2HG GLU 75 18.670 15.436 -1.694 1788 H PHE 76 H PHE 76 17.596 11.496 0.327 1789 HA PHE 76 HA PHE 76 15.459 11.593 -1.524 1790 1HB PHE 76 1HB PHE 76 15.531 9.132 0.088 1791 2HB PHE 76 2HB PHE 76 15.704 9.357 -1.642 1792 HD1 PHE 76 HD1 PHE 76 17.412 8.649 1.461 1793 HD2 PHE 76 HD2 PHE 76 18.058 10.264 -2.501 1794 HE1 PHE 76 HE1 PHE 76 19.848 8.634 1.825 1795 HE2 PHE 76 HE2 PHE 76 20.470 10.377 -2.050 1796 HZ PHE 76 HZ PHE 76 21.388 9.476 0.085 1797 H LEU 77 H LEU 77 15.483 11.646 1.995 1798 HA LEU 77 HA LEU 77 12.598 11.088 2.248 1799 1HB LEU 77 1HB LEU 77 14.686 11.815 4.331 1800 2HB LEU 77 2HB LEU 77 13.026 11.308 4.653 1801 HG LEU 77 HG LEU 77 15.166 9.583 3.311 1802 1HD1 LEU 77 1HD1 LEU 77 15.170 8.333 5.421 1803 2HD1 LEU 77 2HD1 LEU 77 15.628 10.023 5.691 1804 3HD1 LEU 77 3HD1 LEU 77 13.992 9.468 6.118 1805 1HD2 LEU 77 1HD2 LEU 77 13.534 7.724 3.723 1806 2HD2 LEU 77 2HD2 LEU 77 12.318 8.920 4.207 1807 3HD2 LEU 77 3HD2 LEU 77 12.938 8.888 2.540 1808 H ARG 78 H ARG 78 14.774 13.831 2.036 1809 HA ARG 78 HA ARG 78 13.436 15.898 3.232 1810 1HB ARG 78 1HB ARG 78 15.552 15.830 1.751 1811 2HB ARG 78 2HB ARG 78 14.484 16.134 0.381 1812 1HG ARG 78 1HG ARG 78 14.867 17.910 2.837 1813 2HG ARG 78 2HG ARG 78 15.637 18.109 1.259 1814 1HD ARG 78 1HD ARG 78 13.259 18.318 0.275 1815 2HD ARG 78 2HD ARG 78 12.727 18.526 1.965 1816 HE ARG 78 HE ARG 78 14.961 20.221 1.163 1817 1HH1 ARG 78 2HH2 ARG 78 11.380 20.044 1.154 1818 2HH1 ARG 78 1HH2 ARG 78 11.210 21.769 1.116 1819 1HH2 ARG 78 2HH1 ARG 78 14.675 22.454 1.063 1820 2HH2 ARG 78 1HH1 ARG 78 13.079 23.151 1.045 1821 H LEU 79 H LEU 79 12.628 14.412 0.098 1822 HA LEU 79 HA LEU 79 10.430 16.070 -0.609 1823 1HB LEU 79 1HB LEU 79 10.858 13.127 -1.253 1824 2HB LEU 79 2HB LEU 79 9.821 14.262 -2.128 1825 HG LEU 79 HG LEU 79 12.877 14.373 -1.938 1826 1HD1 LEU 79 1HD1 LEU 79 12.779 13.851 -4.329 1827 2HD1 LEU 79 2HD1 LEU 79 11.993 12.588 -3.365 1828 3HD1 LEU 79 3HD1 LEU 79 11.007 13.771 -4.256 1829 1HD2 LEU 79 1HD2 LEU 79 12.045 16.674 -2.082 1830 2HD2 LEU 79 2HD2 LEU 79 12.682 16.182 -3.652 1831 3HD2 LEU 79 3HD2 LEU 79 10.926 16.220 -3.390 1832 H LYS 80 H LYS 80 10.584 13.174 1.482 1833 HA LYS 80 HA LYS 80 7.714 12.890 1.800 1834 1HB LYS 80 1HB LYS 80 9.966 12.002 3.662 1835 2HB LYS 80 2HB LYS 80 8.298 11.499 3.744 1836 1HG LYS 80 1HG LYS 80 10.108 10.990 1.334 1837 2HG LYS 80 2HG LYS 80 9.953 9.871 2.673 1838 1HD LYS 80 1HD LYS 80 7.603 10.803 0.951 1839 2HD LYS 80 2HD LYS 80 8.549 9.361 0.640 1840 1HE LYS 80 1HE LYS 80 6.939 9.850 3.201 1841 2HE LYS 80 2HE LYS 80 6.422 8.864 1.841 1842 1HZ LYS 80 1HZ LYS 80 8.296 7.440 2.200 1843 2HZ LYS 80 2HZ LYS 80 8.774 8.339 3.499 1844 3HZ LYS 80 3HZ LYS 80 7.344 7.527 3.540 1845 H ARG 81 H ARG 81 10.364 14.397 3.701 1846 HA ARG 81 HA ARG 81 8.752 15.461 5.772 1847 1HB ARG 81 1HB ARG 81 11.157 16.907 4.599 1848 2HB ARG 81 2HB ARG 81 10.489 17.040 6.223 1849 1HG ARG 81 1HG ARG 81 12.024 14.710 5.030 1850 2HG ARG 81 2HG ARG 81 12.498 15.769 6.350 1851 1HD ARG 81 1HD ARG 81 10.658 14.840 7.748 1852 2HD ARG 81 2HD ARG 81 10.228 13.738 6.412 1853 HE ARG 81 HE ARG 81 12.993 13.455 6.997 1854 1HH1 ARG 81 1HH2 ARG 81 9.835 12.715 8.389 1855 2HH1 ARG 81 2HH2 ARG 81 10.382 11.309 9.260 1856 1HH2 ARG 81 2HH1 ARG 81 13.734 11.623 8.134 1857 2HH2 ARG 81 1HH1 ARG 81 12.641 10.670 9.096 1858 H THR 82 H THR 82 9.553 16.847 2.594 1859 HA THR 82 HA THR 82 8.172 19.310 2.906 1860 HB THR 82 HB THR 82 8.595 17.737 0.323 1861 HG1 THR 82 HG1 THR 82 10.524 17.993 1.449 1862 1HG2 THR 82 1HG2 THR 82 8.274 20.720 0.852 1863 2HG2 THR 82 2HG2 THR 82 8.679 19.975 -0.709 1864 3HG2 THR 82 3HG2 THR 82 7.098 19.670 0.027 1865 H ARG 83 H ARG 83 7.049 16.212 1.369 1866 HA ARG 83 HA ARG 83 4.423 17.143 0.802 1867 1HB ARG 83 1HB ARG 83 5.663 14.408 1.246 1868 2HB ARG 83 2HB ARG 83 3.946 14.598 0.939 1869 1HG ARG 83 1HG ARG 83 6.151 15.566 -0.940 1870 2HG ARG 83 2HG ARG 83 5.243 14.058 -1.083 1871 1HD ARG 83 1HD ARG 83 3.132 15.704 -0.972 1872 2HD ARG 83 2HD ARG 83 4.279 16.875 -1.621 1873 HE ARG 83 HE ARG 83 2.983 14.656 -2.928 1874 1HH1 ARG 83 2HH2 ARG 83 5.980 16.500 -2.985 1875 2HH1 ARG 83 1HH2 ARG 83 6.457 15.981 -4.583 1876 1HH2 ARG 83 2HH1 ARG 83 3.660 13.832 -4.991 1877 2HH2 ARG 83 1HH1 ARG 83 5.079 14.486 -5.746 1878 H LEU 84 H LEU 84 5.769 15.630 3.776 1879 HA LEU 84 HA LEU 84 3.185 15.453 5.079 1880 1HB LEU 84 1HB LEU 84 6.036 15.525 6.135 1881 2HB LEU 84 2HB LEU 84 4.625 15.247 7.160 1882 HG LEU 84 HG LEU 84 5.271 13.463 4.768 1883 1HD1 LEU 84 1HD1 LEU 84 7.168 13.420 6.337 1884 2HD1 LEU 84 2HD1 LEU 84 6.059 13.097 7.688 1885 3HD1 LEU 84 3HD1 LEU 84 6.265 11.898 6.392 1886 1HD2 LEU 84 1HD2 LEU 84 2.944 13.288 5.562 1887 2HD2 LEU 84 2HD2 LEU 84 3.855 11.839 5.995 1888 3HD2 LEU 84 3HD2 LEU 84 3.514 13.066 7.231 1889 H GLY 85 H GLY 85 5.789 17.926 4.990 1890 1HA GLY 85 1HA GLY 85 4.679 19.839 6.738 1891 2HA GLY 85 2HA GLY 85 5.653 20.186 5.296 1892 H LEU 86 H LEU 86 3.968 19.092 3.330 1893 HA LEU 86 HA LEU 86 2.117 21.213 2.912 1894 1HB LEU 86 1HB LEU 86 3.402 19.464 1.275 1895 2HB LEU 86 2HB LEU 86 1.842 18.650 1.384 1896 HG LEU 86 HG LEU 86 0.822 20.974 0.735 1897 1HD1 LEU 86 1HD1 LEU 86 2.909 22.316 1.075 1898 2HD1 LEU 86 2HD1 LEU 86 3.712 21.362 -0.189 1899 3HD1 LEU 86 3HD1 LEU 86 2.333 22.403 -0.596 1900 1HD2 LEU 86 1HD2 LEU 86 2.497 19.259 -1.141 1901 2HD2 LEU 86 2HD2 LEU 86 0.780 19.065 -0.701 1902 3HD2 LEU 86 3HD2 LEU 86 1.294 20.440 -1.691 1903 H GLU 87 H GLU 87 1.613 18.530 4.993 1904 HA GLU 87 HA GLU 87 -0.870 17.615 4.140 1905 1HB GLU 87 1HB GLU 87 -1.147 16.613 6.275 1906 2HB GLU 87 2HB GLU 87 0.543 16.541 5.815 1907 1HG GLU 87 1HG GLU 87 0.683 17.124 8.062 1908 2HG GLU 87 2HG GLU 87 0.861 18.692 7.270 Start of MODEL 3 1 1H SER 1 1H SER 1 10.626 1.541 -13.834 2 2H SER 1 2H SER 1 11.768 2.101 -12.787 3 3H SER 1 3H SER 1 10.392 1.405 -12.207 4 HA SER 1 HA SER 1 10.286 3.814 -11.985 5 1HB SER 1 1HB SER 1 10.561 3.644 -14.974 6 2HB SER 1 2HB SER 1 10.243 5.146 -14.062 7 HG SER 1 HG SER 1 12.544 3.504 -13.587 8 H GLU 2 H GLU 2 8.679 1.226 -12.761 9 HA GLU 2 HA GLU 2 6.267 2.339 -13.978 10 1HB GLU 2 1HB GLU 2 6.676 -0.461 -12.871 11 2HB GLU 2 2HB GLU 2 5.510 0.095 -14.077 12 1HG GLU 2 1HG GLU 2 8.525 -0.235 -14.390 13 2HG GLU 2 2HG GLU 2 7.242 -1.073 -15.257 14 H LEU 3 H LEU 3 7.248 1.064 -10.758 15 HA LEU 3 HA LEU 3 4.649 0.911 -9.700 16 1HB LEU 3 1HB LEU 3 7.099 1.706 -8.094 17 2HB LEU 3 2HB LEU 3 5.570 1.076 -7.474 18 HG LEU 3 HG LEU 3 7.479 -0.514 -9.248 19 1HD1 LEU 3 1HD1 LEU 3 6.734 -0.699 -6.302 20 2HD1 LEU 3 2HD1 LEU 3 7.803 -1.829 -7.173 21 3HD1 LEU 3 3HD1 LEU 3 8.295 -0.145 -6.919 22 1HD2 LEU 3 1HD2 LEU 3 4.803 -1.185 -7.984 23 2HD2 LEU 3 2HD2 LEU 3 5.237 -1.282 -9.708 24 3HD2 LEU 3 3HD2 LEU 3 5.957 -2.407 -8.549 25 H GLU 4 H GLU 4 6.868 3.766 -9.585 26 HA GLU 4 HA GLU 4 5.099 5.460 -8.242 27 1HB GLU 4 1HB GLU 4 6.328 7.305 -9.247 28 2HB GLU 4 2HB GLU 4 7.351 6.032 -8.569 29 1HG GLU 4 1HG GLU 4 7.524 5.132 -11.003 30 2HG GLU 4 2HG GLU 4 6.836 6.681 -11.498 31 H LYS 5 H LYS 5 4.955 4.425 -11.650 32 HA LYS 5 HA LYS 5 3.005 6.422 -12.458 33 1HB LYS 5 1HB LYS 5 3.540 3.785 -13.809 34 2HB LYS 5 2HB LYS 5 2.765 5.225 -14.466 35 1HG LYS 5 1HG LYS 5 5.671 4.936 -13.636 36 2HG LYS 5 2HG LYS 5 5.056 5.033 -15.281 37 1HD LYS 5 1HD LYS 5 4.310 7.372 -14.878 38 2HD LYS 5 2HD LYS 5 4.906 7.280 -13.204 39 1HE LYS 5 1HE LYS 5 7.186 6.801 -14.011 40 2HE LYS 5 2HE LYS 5 6.628 6.962 -15.687 41 1HZ LYS 5 1HZ LYS 5 6.533 9.070 -13.646 42 2HZ LYS 5 2HZ LYS 5 7.650 8.954 -14.849 43 3HZ LYS 5 3HZ LYS 5 6.066 9.226 -15.221 44 H ALA 6 H ALA 6 2.929 2.985 -11.482 45 HA ALA 6 HA ALA 6 0.124 2.591 -11.479 46 1HB ALA 6 1HB ALA 6 1.741 0.769 -11.166 47 2HB ALA 6 2HB ALA 6 2.206 1.414 -9.581 48 3HB ALA 6 3HB ALA 6 0.577 0.804 -9.830 49 H VAL 7 H VAL 7 2.236 3.845 -8.889 50 HA VAL 7 HA VAL 7 0.307 4.341 -6.908 51 HB VAL 7 HB VAL 7 3.003 5.518 -7.583 52 1HG1 VAL 7 1HG1 VAL 7 1.291 6.314 -5.240 53 2HG1 VAL 7 2HG1 VAL 7 3.029 6.612 -5.363 54 3HG1 VAL 7 3HG1 VAL 7 1.918 7.386 -6.503 55 1HG2 VAL 7 1HG2 VAL 7 3.686 4.294 -5.575 56 2HG2 VAL 7 2HG2 VAL 7 2.002 3.830 -5.257 57 3HG2 VAL 7 3HG2 VAL 7 2.844 3.188 -6.670 58 H VAL 8 H VAL 8 1.521 6.743 -9.423 59 HA VAL 8 HA VAL 8 -0.441 8.630 -8.541 60 HB VAL 8 HB VAL 8 -0.095 9.883 -10.570 61 1HG1 VAL 8 1HG1 VAL 8 2.252 10.447 -10.131 62 2HG1 VAL 8 2HG1 VAL 8 1.381 10.162 -8.614 63 3HG1 VAL 8 3HG1 VAL 8 2.475 8.918 -9.260 64 1HG2 VAL 8 1HG2 VAL 8 1.577 9.268 -12.228 65 2HG2 VAL 8 2HG2 VAL 8 1.886 7.763 -11.366 66 3HG2 VAL 8 3HG2 VAL 8 0.326 8.008 -12.186 67 H ALA 9 H ALA 9 -0.730 5.926 -10.864 68 HA ALA 9 HA ALA 9 -3.338 6.664 -11.769 69 1HB ALA 9 1HB ALA 9 -2.005 4.864 -12.810 70 2HB ALA 9 2HB ALA 9 -2.311 3.828 -11.400 71 3HB ALA 9 3HB ALA 9 -3.662 4.376 -12.394 72 H LEU 10 H LEU 10 -2.351 4.670 -8.896 73 HA LEU 10 HA LEU 10 -4.980 4.168 -7.912 74 1HB LEU 10 1HB LEU 10 -2.457 4.712 -6.284 75 2HB LEU 10 2HB LEU 10 -3.944 3.997 -5.677 76 HG LEU 10 HG LEU 10 -2.102 2.715 -7.734 77 1HD1 LEU 10 1HD1 LEU 10 -1.492 1.209 -5.906 78 2HD1 LEU 10 2HD1 LEU 10 -1.130 2.884 -5.454 79 3HD1 LEU 10 3HD1 LEU 10 -2.574 2.080 -4.799 80 1HD2 LEU 10 1HD2 LEU 10 -3.434 0.667 -7.262 81 2HD2 LEU 10 2HD2 LEU 10 -4.582 1.652 -6.333 82 3HD2 LEU 10 3HD2 LEU 10 -4.368 1.923 -8.085 83 H ILE 11 H ILE 11 -2.755 6.902 -7.233 84 HA ILE 11 HA ILE 11 -4.514 8.267 -5.462 85 HB ILE 11 HB ILE 11 -2.325 9.327 -7.278 86 1HG1 ILE 11 1HG1 ILE 11 -2.342 8.807 -4.263 87 2HG1 ILE 11 2HG1 ILE 11 -1.774 7.630 -5.447 88 1HG2 ILE 11 1HG2 ILE 11 -3.776 10.712 -4.978 89 2HG2 ILE 11 2HG2 ILE 11 -2.347 11.345 -5.828 90 3HG2 ILE 11 3HG2 ILE 11 -3.868 11.174 -6.685 91 1HD1 ILE 11 1HD1 ILE 11 -0.089 9.285 -6.275 92 2HD1 ILE 11 2HD1 ILE 11 -0.559 10.359 -4.937 93 3HD1 ILE 11 3HD1 ILE 11 0.130 8.764 -4.598 94 H ASP 12 H ASP 12 -4.040 8.746 -9.009 95 HA ASP 12 HA ASP 12 -5.907 10.834 -9.291 96 1HB ASP 12 1HB ASP 12 -4.265 10.237 -11.017 97 2HB ASP 12 2HB ASP 12 -5.052 8.677 -11.275 98 H VAL 13 H VAL 13 -6.362 7.311 -9.724 99 HA VAL 13 HA VAL 13 -9.109 7.407 -10.467 100 HB VAL 13 HB VAL 13 -7.395 5.235 -9.197 101 1HG1 VAL 13 1HG1 VAL 13 -9.180 3.687 -10.064 102 2HG1 VAL 13 2HG1 VAL 13 -9.718 4.692 -8.710 103 3HG1 VAL 13 3HG1 VAL 13 -10.212 5.100 -10.366 104 1HG2 VAL 13 1HG2 VAL 13 -6.892 6.177 -11.589 105 2HG2 VAL 13 2HG2 VAL 13 -7.126 4.440 -11.401 106 3HG2 VAL 13 3HG2 VAL 13 -8.441 5.459 -12.049 107 H PHE 14 H PHE 14 -7.535 6.860 -7.256 108 HA PHE 14 HA PHE 14 -9.935 6.672 -5.758 109 1HB PHE 14 1HB PHE 14 -7.675 6.189 -4.890 110 2HB PHE 14 2HB PHE 14 -7.255 7.896 -4.989 111 HD1 PHE 14 HD1 PHE 14 -9.064 5.356 -3.077 112 HD2 PHE 14 HD2 PHE 14 -8.455 9.608 -3.525 113 HE1 PHE 14 HE1 PHE 14 -9.916 5.745 -0.773 114 HE2 PHE 14 HE2 PHE 14 -9.345 9.972 -1.280 115 HZ PHE 14 HZ PHE 14 -9.910 8.021 0.180 116 H HIS 15 H HIS 15 -7.948 9.530 -6.569 117 HA HIS 15 HA HIS 15 -9.300 11.433 -5.084 118 1HB HIS 15 1HB HIS 15 -7.075 11.675 -6.169 119 2HB HIS 15 2HB HIS 15 -7.866 11.886 -7.735 120 HD1 HIS 15 HD1 HIS 15 -6.682 13.786 -4.777 121 HD2 HIS 15 HD2 HIS 15 -9.534 14.206 -7.847 122 HE1 HIS 15 HE1 HIS 15 -7.305 16.255 -4.867 123 H GLN 16 H GLN 16 -9.847 10.618 -8.581 124 HA GLN 16 HA GLN 16 -11.896 12.582 -8.819 125 1HB GLN 16 1HB GLN 16 -12.432 11.666 -10.956 126 2HB GLN 16 2HB GLN 16 -10.687 11.717 -10.705 127 1HG GLN 16 1HG GLN 16 -11.013 9.206 -9.951 128 2HG GLN 16 2HG GLN 16 -12.539 9.324 -10.842 129 1HE2 GLN 16 1HE2 GLN 16 -9.034 10.006 -11.078 130 2HE2 GLN 16 2HE2 GLN 16 -8.843 9.563 -12.764 131 H TYR 17 H TYR 17 -12.214 9.080 -7.997 132 HA TYR 17 HA TYR 17 -15.103 9.125 -7.886 133 1HB TYR 17 1HB TYR 17 -12.987 7.340 -6.672 134 2HB TYR 17 2HB TYR 17 -14.687 7.159 -6.265 135 HD1 TYR 17 HD1 TYR 17 -16.052 5.747 -7.534 136 HD2 TYR 17 HD2 TYR 17 -12.535 7.416 -9.369 137 HE1 TYR 17 HE1 TYR 17 -16.185 4.071 -9.378 138 HE2 TYR 17 HE2 TYR 17 -12.626 5.710 -11.133 139 HH TYR 17 HH TYR 17 -13.427 3.582 -11.527 140 H SER 18 H SER 18 -12.599 9.466 -5.366 141 HA SER 18 HA SER 18 -14.264 10.063 -3.160 142 1HB SER 18 1HB SER 18 -11.909 9.434 -2.963 143 2HB SER 18 2HB SER 18 -11.409 10.925 -3.788 144 HG SER 18 HG SER 18 -12.966 10.912 -1.422 145 H GLY 19 H GLY 19 -13.140 12.119 -5.831 146 1HA GLY 19 1HA GLY 19 -13.764 14.667 -4.739 147 2HA GLY 19 2HA GLY 19 -13.682 14.223 -6.455 148 H ARG 20 H ARG 20 -15.736 12.099 -6.307 149 HA ARG 20 HA ARG 20 -18.016 13.826 -6.730 150 1HB ARG 20 1HB ARG 20 -18.095 10.804 -6.531 151 2HB ARG 20 2HB ARG 20 -19.221 11.913 -7.314 152 1HG ARG 20 1HG ARG 20 -16.743 12.471 -8.566 153 2HG ARG 20 2HG ARG 20 -16.677 10.745 -8.259 154 1HD ARG 20 1HD ARG 20 -18.693 12.304 -9.899 155 2HD ARG 20 2HD ARG 20 -17.638 11.006 -10.458 156 HE ARG 20 HE ARG 20 -20.262 10.816 -9.273 157 1HH1 ARG 20 1HH1 ARG 20 -17.217 9.030 -9.454 158 2HH1 ARG 20 2HH1 ARG 20 -17.969 7.470 -9.188 159 1HH2 ARG 20 2HH2 ARG 20 -21.213 8.832 -8.796 160 2HH2 ARG 20 1HH2 ARG 20 -20.264 7.372 -8.719 161 H GLU 21 H GLU 21 -17.213 11.300 -4.253 162 HA GLU 21 HA GLU 21 -18.671 12.945 -2.299 163 1HB GLU 21 1HB GLU 21 -19.237 9.972 -2.498 164 2HB GLU 21 2HB GLU 21 -19.875 11.131 -1.324 165 1HG GLU 21 1HG GLU 21 -21.028 12.340 -3.193 166 2HG GLU 21 2HG GLU 21 -20.493 11.067 -4.308 167 H GLY 22 H GLY 22 -17.710 12.984 -0.363 168 1HA GLY 22 1HA GLY 22 -16.395 12.311 1.403 169 2HA GLY 22 2HA GLY 22 -15.714 10.986 0.482 170 H ASP 23 H ASP 23 -15.978 14.236 -0.755 171 HA ASP 23 HA ASP 23 -14.484 15.747 -1.497 172 1HB ASP 23 1HB ASP 23 -15.379 16.477 0.678 173 2HB ASP 23 2HB ASP 23 -14.001 15.729 1.503 174 H LYS 24 H LYS 24 -13.151 13.810 -2.448 175 HA LYS 24 HA LYS 24 -11.143 13.487 -3.411 176 1HB LYS 24 1HB LYS 24 -10.085 15.776 -1.733 177 2HB LYS 24 2HB LYS 24 -9.342 15.084 -3.173 178 1HG LYS 24 1HG LYS 24 -11.290 15.730 -4.541 179 2HG LYS 24 2HG LYS 24 -12.077 16.463 -3.136 180 1HD LYS 24 1HD LYS 24 -9.420 17.364 -4.325 181 2HD LYS 24 2HD LYS 24 -10.992 18.118 -4.603 182 1HE LYS 24 1HE LYS 24 -11.185 18.571 -2.138 183 2HE LYS 24 2HE LYS 24 -9.548 17.927 -1.914 184 1HZ LYS 24 1HZ LYS 24 -8.737 19.617 -3.374 185 2HZ LYS 24 2HZ LYS 24 -10.254 20.230 -3.579 186 3HZ LYS 24 3HZ LYS 24 -9.539 20.278 -2.096 187 H HIS 25 H HIS 25 -10.958 13.618 0.137 188 HA HIS 25 HA HIS 25 -8.583 11.850 0.098 189 1HB HIS 25 1HB HIS 25 -8.521 13.889 1.458 190 2HB HIS 25 2HB HIS 25 -9.910 13.314 2.391 191 HD1 HIS 25 HD1 HIS 25 -8.579 13.083 4.693 192 HD2 HIS 25 HD2 HIS 25 -6.922 10.988 1.445 193 HE1 HIS 25 HE1 HIS 25 -6.774 11.548 5.645 194 H LYS 26 H LYS 26 -12.077 11.521 0.502 195 HA LYS 26 HA LYS 26 -11.612 8.814 1.629 196 1HB LYS 26 1HB LYS 26 -13.878 10.615 2.522 197 2HB LYS 26 2HB LYS 26 -13.392 9.051 3.189 198 1HG LYS 26 1HG LYS 26 -11.157 10.237 3.820 199 2HG LYS 26 2HG LYS 26 -12.005 11.745 3.446 200 1HD LYS 26 1HD LYS 26 -13.755 11.165 5.105 201 2HD LYS 26 2HD LYS 26 -12.924 9.637 5.462 202 1HE LYS 26 1HE LYS 26 -10.930 10.958 6.236 203 2HE LYS 26 2HE LYS 26 -11.838 12.454 5.922 204 1HZ LYS 26 1HZ LYS 26 -13.482 11.676 7.501 205 2HZ LYS 26 2HZ LYS 26 -12.582 10.338 7.811 206 3HZ LYS 26 3HZ LYS 26 -11.993 11.828 8.200 207 H LEU 27 H LEU 27 -13.046 7.199 1.164 208 HA LEU 27 HA LEU 27 -14.925 7.736 -1.129 209 1HB LEU 27 1HB LEU 27 -13.640 5.196 -0.079 210 2HB LEU 27 2HB LEU 27 -14.896 5.223 -1.314 211 HG LEU 27 HG LEU 27 -12.237 6.650 -1.674 212 1HD1 LEU 27 1HD1 LEU 27 -13.105 3.851 -2.498 213 2HD1 LEU 27 2HD1 LEU 27 -11.553 4.618 -2.933 214 3HD1 LEU 27 3HD1 LEU 27 -11.900 4.214 -1.241 215 1HD2 LEU 27 1HD2 LEU 27 -12.741 6.458 -4.068 216 2HD2 LEU 27 2HD2 LEU 27 -14.243 5.593 -3.726 217 3HD2 LEU 27 3HD2 LEU 27 -14.073 7.310 -3.266 218 H LYS 28 H LYS 28 -17.084 7.621 -0.622 219 HA LYS 28 HA LYS 28 -17.910 6.557 2.026 220 1HB LYS 28 1HB LYS 28 -19.817 7.506 -0.098 221 2HB LYS 28 2HB LYS 28 -19.986 7.440 1.666 222 1HG LYS 28 1HG LYS 28 -17.969 9.216 1.568 223 2HG LYS 28 2HG LYS 28 -18.557 9.438 -0.081 224 1HD LYS 28 1HD LYS 28 -20.021 9.853 2.561 225 2HD LYS 28 2HD LYS 28 -19.646 11.061 1.328 226 1HE LYS 28 1HE LYS 28 -21.199 9.578 -0.224 227 2HE LYS 28 2HE LYS 28 -21.749 8.862 1.299 228 1HZ LYS 28 1HZ LYS 28 -23.127 10.663 0.614 229 2HZ LYS 28 2HZ LYS 28 -22.374 11.037 2.034 230 3HZ LYS 28 3HZ LYS 28 -21.862 11.714 0.619 231 H LYS 29 H LYS 29 -19.871 4.989 1.887 232 HA LYS 29 HA LYS 29 -19.041 2.601 0.676 233 1HB LYS 29 1HB LYS 29 -21.160 1.686 1.353 234 2HB LYS 29 2HB LYS 29 -20.559 2.753 2.602 235 1HG LYS 29 1HG LYS 29 -22.065 4.589 1.688 236 2HG LYS 29 2HG LYS 29 -22.801 3.381 0.626 237 1HD LYS 29 1HD LYS 29 -22.641 3.152 3.670 238 2HD LYS 29 2HD LYS 29 -24.024 3.826 2.799 239 1HE LYS 29 1HE LYS 29 -24.442 1.699 1.668 240 2HE LYS 29 2HE LYS 29 -22.990 0.981 2.389 241 1HZ LYS 29 1HZ LYS 29 -23.933 1.251 4.527 242 2HZ LYS 29 2HZ LYS 29 -25.294 1.954 3.908 243 3HZ LYS 29 3HZ LYS 29 -24.954 0.377 3.571 244 H SER 30 H SER 30 -21.116 5.109 -0.767 245 HA SER 30 HA SER 30 -21.981 3.559 -2.998 246 1HB SER 30 1HB SER 30 -22.128 6.008 -3.941 247 2HB SER 30 2HB SER 30 -23.110 5.612 -2.516 248 HG SER 30 HG SER 30 -21.680 7.591 -2.463 249 H GLU 31 H GLU 31 -19.197 5.872 -2.544 250 HA GLU 31 HA GLU 31 -18.272 5.545 -5.241 251 1HB GLU 31 1HB GLU 31 -16.814 6.580 -2.774 252 2HB GLU 31 2HB GLU 31 -16.265 6.737 -4.446 253 1HG GLU 31 1HG GLU 31 -18.839 7.913 -3.323 254 2HG GLU 31 2HG GLU 31 -17.361 8.824 -3.672 255 H LEU 32 H LEU 32 -17.341 4.176 -2.132 256 HA LEU 32 HA LEU 32 -15.165 2.592 -2.891 257 1HB LEU 32 1HB LEU 32 -15.895 3.221 -0.608 258 2HB LEU 32 2HB LEU 32 -17.289 2.139 -0.740 259 HG LEU 32 HG LEU 32 -15.281 1.447 0.650 260 1HD1 LEU 32 1HD1 LEU 32 -16.330 -0.489 -1.430 261 2HD1 LEU 32 2HD1 LEU 32 -15.472 -0.926 0.064 262 3HD1 LEU 32 3HD1 LEU 32 -17.029 -0.093 0.154 263 1HD2 LEU 32 1HD2 LEU 32 -13.389 0.393 -0.405 264 2HD2 LEU 32 2HD2 LEU 32 -14.014 0.776 -2.021 265 3HD2 LEU 32 3HD2 LEU 32 -13.508 2.080 -0.923 266 H LYS 33 H LYS 33 -18.690 1.761 -2.757 267 HA LYS 33 HA LYS 33 -18.535 -0.872 -3.713 268 1HB LYS 33 1HB LYS 33 -20.558 0.032 -2.810 269 2HB LYS 33 2HB LYS 33 -20.618 1.319 -3.975 270 1HG LYS 33 1HG LYS 33 -20.986 -0.532 -5.779 271 2HG LYS 33 2HG LYS 33 -21.160 -1.648 -4.410 272 1HD LYS 33 1HD LYS 33 -22.961 -0.056 -3.528 273 2HD LYS 33 2HD LYS 33 -22.794 0.858 -5.031 274 1HE LYS 33 1HE LYS 33 -23.379 -1.232 -6.321 275 2HE LYS 33 2HE LYS 33 -23.643 -2.066 -4.776 276 1HZ LYS 33 1HZ LYS 33 -25.106 0.280 -5.762 277 2HZ LYS 33 2HZ LYS 33 -25.682 -1.260 -5.633 278 3HZ LYS 33 3HZ LYS 33 -25.311 -0.395 -4.274 279 H GLU 34 H GLU 34 -19.070 2.139 -5.684 280 HA GLU 34 HA GLU 34 -19.233 0.534 -8.107 281 1HB GLU 34 1HB GLU 34 -19.133 2.658 -9.342 282 2HB GLU 34 2HB GLU 34 -20.393 2.643 -8.101 283 1HG GLU 34 1HG GLU 34 -19.082 4.045 -6.651 284 2HG GLU 34 2HG GLU 34 -17.672 3.968 -7.690 285 H LEU 35 H LEU 35 -16.653 2.404 -6.545 286 HA LEU 35 HA LEU 35 -14.722 2.085 -8.556 287 1HB LEU 35 1HB LEU 35 -14.526 3.668 -6.694 288 2HB LEU 35 2HB LEU 35 -14.500 2.335 -5.537 289 HG LEU 35 HG LEU 35 -12.308 1.606 -6.418 290 1HD1 LEU 35 1HD1 LEU 35 -12.564 3.972 -8.333 291 2HD1 LEU 35 2HD1 LEU 35 -11.112 2.992 -8.118 292 3HD1 LEU 35 3HD1 LEU 35 -12.545 2.259 -8.820 293 1HD2 LEU 35 1HD2 LEU 35 -10.962 3.544 -5.751 294 2HD2 LEU 35 2HD2 LEU 35 -12.403 4.582 -5.858 295 3HD2 LEU 35 3HD2 LEU 35 -12.339 3.256 -4.669 296 H ILE 36 H ILE 36 -15.330 0.028 -5.608 297 HA ILE 36 HA ILE 36 -13.324 -1.862 -6.289 298 HB ILE 36 HB ILE 36 -15.760 -2.049 -4.503 299 1HG1 ILE 36 1HG1 ILE 36 -12.718 -2.039 -4.087 300 2HG1 ILE 36 2HG1 ILE 36 -13.813 -0.692 -3.786 301 1HG2 ILE 36 1HG2 ILE 36 -14.887 -4.258 -3.744 302 2HG2 ILE 36 2HG2 ILE 36 -15.456 -4.321 -5.399 303 3HG2 ILE 36 3HG2 ILE 36 -13.713 -4.228 -5.070 304 1HD1 ILE 36 1HD1 ILE 36 -13.332 -1.672 -1.665 305 2HD1 ILE 36 2HD1 ILE 36 -14.980 -2.210 -2.069 306 3HD1 ILE 36 3HD1 ILE 36 -13.600 -3.310 -2.250 307 H ASN 37 H ASN 37 -16.890 -2.031 -7.060 308 HA ASN 37 HA ASN 37 -16.601 -4.501 -8.480 309 1HB ASN 37 1HB ASN 37 -18.524 -2.195 -9.005 310 2HB ASN 37 2HB ASN 37 -18.565 -3.753 -9.855 311 1HD2 ASN 37 2HD2 ASN 37 -19.124 -2.151 -6.764 312 2HD2 ASN 37 1HD2 ASN 37 -20.098 -3.453 -6.089 313 H ASN 38 H ASN 38 -16.524 -1.148 -9.800 314 HA ASN 38 HA ASN 38 -16.197 -1.892 -12.493 315 1HB ASN 38 1HB ASN 38 -16.981 0.301 -11.635 316 2HB ASN 38 2HB ASN 38 -15.340 0.641 -11.031 317 1HD2 ASN 38 1HD2 ASN 38 -15.301 2.567 -12.300 318 2HD2 ASN 38 2HD2 ASN 38 -15.118 2.485 -14.052 319 H GLU 39 H GLU 39 -13.784 -1.168 -9.944 320 HA GLU 39 HA GLU 39 -11.619 -1.909 -11.853 321 1HB GLU 39 1HB GLU 39 -11.528 0.052 -9.555 322 2HB GLU 39 2HB GLU 39 -10.265 -0.286 -10.761 323 1HG GLU 39 1HG GLU 39 -12.182 0.395 -12.501 324 2HG GLU 39 2HG GLU 39 -12.933 1.137 -11.090 325 H LEU 40 H LEU 40 -13.119 -3.735 -10.000 326 HA LEU 40 HA LEU 40 -10.596 -5.074 -9.278 327 1HB LEU 40 1HB LEU 40 -11.744 -3.652 -7.288 328 2HB LEU 40 2HB LEU 40 -12.695 -5.140 -7.167 329 HG LEU 40 HG LEU 40 -10.496 -6.401 -6.933 330 1HD1 LEU 40 1HD1 LEU 40 -9.434 -3.559 -6.537 331 2HD1 LEU 40 2HD1 LEU 40 -8.573 -5.043 -6.109 332 3HD1 LEU 40 3HD1 LEU 40 -8.905 -4.680 -7.815 333 1HD2 LEU 40 1HD2 LEU 40 -11.162 -4.214 -4.918 334 2HD2 LEU 40 2HD2 LEU 40 -11.978 -5.773 -5.067 335 3HD2 LEU 40 3HD2 LEU 40 -10.283 -5.720 -4.557 336 H SER 41 H SER 41 -13.805 -5.335 -10.514 337 HA SER 41 HA SER 41 -14.769 -7.752 -9.920 338 1HB SER 41 1HB SER 41 -14.432 -6.584 -12.706 339 2HB SER 41 2HB SER 41 -15.370 -8.045 -12.359 340 HG SER 41 HG SER 41 -15.848 -5.478 -11.273 341 H HIS 42 H HIS 42 -11.819 -7.364 -11.955 342 HA HIS 42 HA HIS 42 -11.881 -10.170 -12.734 343 1HB HIS 42 1HB HIS 42 -9.689 -8.108 -13.100 344 2HB HIS 42 2HB HIS 42 -9.813 -9.676 -13.900 345 HD1 HIS 42 HD1 HIS 42 -10.571 -6.212 -14.680 346 HD2 HIS 42 HD2 HIS 42 -12.532 -9.910 -15.156 347 HE1 HIS 42 HE1 HIS 42 -12.362 -5.869 -16.462 348 H PHE 43 H PHE 43 -10.964 -8.709 -9.815 349 HA PHE 43 HA PHE 43 -9.239 -11.064 -9.096 350 1HB PHE 43 1HB PHE 43 -9.340 -8.192 -8.101 351 2HB PHE 43 2HB PHE 43 -8.901 -9.516 -7.031 352 HD1 PHE 43 HD1 PHE 43 -7.821 -9.352 -10.633 353 HD2 PHE 43 HD2 PHE 43 -6.737 -8.760 -6.492 354 HE1 PHE 43 HE1 PHE 43 -5.463 -9.064 -11.286 355 HE2 PHE 43 HE2 PHE 43 -4.387 -8.442 -7.162 356 HZ PHE 43 HZ PHE 43 -3.733 -8.606 -9.553 357 H LEU 44 H LEU 44 -11.595 -8.674 -7.849 358 HA LEU 44 HA LEU 44 -12.483 -10.601 -5.810 359 1HB LEU 44 1HB LEU 44 -11.634 -8.234 -5.419 360 2HB LEU 44 2HB LEU 44 -13.164 -7.647 -6.083 361 HG LEU 44 HG LEU 44 -12.917 -9.593 -3.736 362 1HD1 LEU 44 1HD1 LEU 44 -13.159 -7.728 -2.236 363 2HD1 LEU 44 2HD1 LEU 44 -11.793 -7.396 -3.320 364 3HD1 LEU 44 3HD1 LEU 44 -13.368 -6.601 -3.593 365 1HD2 LEU 44 1HD2 LEU 44 -15.221 -7.916 -4.835 366 2HD2 LEU 44 2HD2 LEU 44 -15.140 -9.679 -4.594 367 3HD2 LEU 44 3HD2 LEU 44 -15.217 -8.603 -3.197 368 H GLU 45 H GLU 45 -14.295 -11.732 -6.163 369 HA GLU 45 HA GLU 45 -15.776 -11.508 -8.564 370 1HB GLU 45 1HB GLU 45 -16.550 -12.952 -5.984 371 2HB GLU 45 2HB GLU 45 -17.247 -13.191 -7.579 372 1HG GLU 45 1HG GLU 45 -15.780 -14.961 -7.447 373 2HG GLU 45 2HG GLU 45 -14.848 -13.786 -8.378 374 H GLU 46 H GLU 46 -18.009 -10.971 -8.891 375 HA GLU 46 HA GLU 46 -18.682 -8.458 -8.398 376 1HB GLU 46 1HB GLU 46 -19.826 -10.018 -9.974 377 2HB GLU 46 2HB GLU 46 -20.710 -10.719 -8.601 378 1HG GLU 46 1HG GLU 46 -21.705 -8.476 -8.139 379 2HG GLU 46 2HG GLU 46 -20.838 -7.811 -9.534 380 H ILE 47 H ILE 47 -19.382 -7.190 -6.806 381 HA ILE 47 HA ILE 47 -19.493 -8.085 -4.113 382 HB ILE 47 HB ILE 47 -20.516 -5.549 -5.442 383 1HG1 ILE 47 1HG1 ILE 47 -18.090 -5.835 -5.680 384 2HG1 ILE 47 2HG1 ILE 47 -18.490 -4.483 -4.606 385 1HG2 ILE 47 1HG2 ILE 47 -21.703 -5.792 -3.323 386 2HG2 ILE 47 2HG2 ILE 47 -20.177 -6.067 -2.466 387 3HG2 ILE 47 3HG2 ILE 47 -20.518 -4.505 -3.261 388 1HD1 ILE 47 1HD1 ILE 47 -16.594 -5.748 -3.772 389 2HD1 ILE 47 2HD1 ILE 47 -17.935 -5.877 -2.633 390 3HD1 ILE 47 3HD1 ILE 47 -17.527 -7.237 -3.710 391 H LYS 48 H LYS 48 -22.188 -6.904 -6.147 392 HA LYS 48 HA LYS 48 -24.398 -7.295 -6.145 393 1HB LYS 48 1HB LYS 48 -23.650 -9.607 -6.521 394 2HB LYS 48 2HB LYS 48 -23.688 -9.934 -4.786 395 1HG LYS 48 1HG LYS 48 -26.120 -9.496 -4.738 396 2HG LYS 48 2HG LYS 48 -26.082 -9.145 -6.485 397 1HD LYS 48 1HD LYS 48 -25.284 -11.438 -6.950 398 2HD LYS 48 2HD LYS 48 -25.139 -11.765 -5.216 399 1HE LYS 48 1HE LYS 48 -27.165 -12.793 -6.065 400 2HE LYS 48 2HE LYS 48 -27.577 -11.495 -4.929 401 1HZ LYS 48 1HZ LYS 48 -28.032 -10.086 -6.803 402 2HZ LYS 48 2HZ LYS 48 -27.611 -11.276 -7.863 403 3HZ LYS 48 3HZ LYS 48 -28.936 -11.458 -6.900 404 H GLU 49 H GLU 49 -23.427 -8.653 -2.958 405 HA GLU 49 HA GLU 49 -25.750 -7.471 -1.630 406 1HB GLU 49 1HB GLU 49 -23.343 -8.981 -0.525 407 2HB GLU 49 2HB GLU 49 -24.858 -8.654 0.326 408 1HG GLU 49 1HG GLU 49 -24.465 -10.454 -2.126 409 2HG GLU 49 2HG GLU 49 -24.725 -10.978 -0.466 410 H GLN 50 H GLN 50 -25.281 -5.238 -2.077 411 HA GLN 50 HA GLN 50 -23.129 -3.677 -1.590 412 1HB GLN 50 1HB GLN 50 -25.355 -2.916 -2.353 413 2HB GLN 50 2HB GLN 50 -25.951 -2.991 -0.687 414 1HG GLN 50 1HG GLN 50 -24.334 -1.214 -0.027 415 2HG GLN 50 2HG GLN 50 -23.640 -1.222 -1.650 416 1HE2 GLN 50 1HE2 GLN 50 -26.834 -0.809 0.017 417 2HE2 GLN 50 2HE2 GLN 50 -27.394 0.424 -1.099 418 H GLU 51 H GLU 51 -24.984 -5.187 1.047 419 HA GLU 51 HA GLU 51 -24.092 -3.669 3.236 420 1HB GLU 51 1HB GLU 51 -25.765 -5.592 3.214 421 2HB GLU 51 2HB GLU 51 -24.382 -6.707 3.109 422 1HG GLU 51 1HG GLU 51 -23.551 -5.858 5.299 423 2HG GLU 51 2HG GLU 51 -24.901 -4.715 5.368 424 H VAL 52 H VAL 52 -22.435 -6.172 1.333 425 HA VAL 52 HA VAL 52 -20.243 -6.685 3.040 426 HB VAL 52 HB VAL 52 -20.516 -6.802 -0.002 427 1HG1 VAL 52 1HG1 VAL 52 -18.404 -8.006 1.833 428 2HG1 VAL 52 2HG1 VAL 52 -18.611 -8.373 0.105 429 3HG1 VAL 52 3HG1 VAL 52 -18.127 -6.750 0.601 430 1HG2 VAL 52 1HG2 VAL 52 -20.635 -9.040 2.067 431 2HG2 VAL 52 2HG2 VAL 52 -22.080 -8.277 1.384 432 3HG2 VAL 52 3HG2 VAL 52 -20.956 -9.119 0.321 433 H VAL 53 H VAL 53 -20.805 -4.002 0.668 434 HA VAL 53 HA VAL 53 -18.061 -3.201 0.633 435 HB VAL 53 HB VAL 53 -18.666 -1.475 -0.652 436 1HG1 VAL 53 1HG1 VAL 53 -20.189 -2.182 -2.288 437 2HG1 VAL 53 2HG1 VAL 53 -19.298 -3.564 -1.635 438 3HG1 VAL 53 3HG1 VAL 53 -20.992 -3.286 -1.168 439 1HG2 VAL 53 1HG2 VAL 53 -19.943 -0.091 0.734 440 2HG2 VAL 53 2HG2 VAL 53 -20.865 -0.313 -0.746 441 3HG2 VAL 53 3HG2 VAL 53 -21.351 -1.165 0.704 442 H ASP 54 H ASP 54 -20.921 -2.254 2.477 443 HA ASP 54 HA ASP 54 -19.806 -0.195 4.043 444 1HB ASP 54 1HB ASP 54 -22.247 -0.777 3.814 445 2HB ASP 54 2HB ASP 54 -21.992 -2.137 4.912 446 H LYS 55 H LYS 55 -20.163 -3.744 4.627 447 HA LYS 55 HA LYS 55 -18.963 -3.819 7.166 448 1HB LYS 55 1HB LYS 55 -20.280 -5.645 6.030 449 2HB LYS 55 2HB LYS 55 -18.862 -5.971 5.031 450 1HG LYS 55 1HG LYS 55 -17.594 -6.287 7.330 451 2HG LYS 55 2HG LYS 55 -19.211 -6.287 8.034 452 1HD LYS 55 1HD LYS 55 -18.628 -8.565 7.702 453 2HD LYS 55 2HD LYS 55 -19.788 -8.194 6.415 454 1HE LYS 55 1HE LYS 55 -17.893 -7.927 4.802 455 2HE LYS 55 2HE LYS 55 -16.732 -8.173 6.118 456 1HZ LYS 55 1HZ LYS 55 -18.699 -10.133 5.162 457 2HZ LYS 55 2HZ LYS 55 -17.082 -10.145 4.845 458 3HZ LYS 55 3HZ LYS 55 -17.620 -10.375 6.386 459 H VAL 56 H VAL 56 -17.368 -4.382 3.931 460 HA VAL 56 HA VAL 56 -14.845 -4.889 5.210 461 HB VAL 56 HB VAL 56 -13.807 -4.918 3.073 462 1HG1 VAL 56 1HG1 VAL 56 -15.045 -6.894 3.832 463 2HG1 VAL 56 2HG1 VAL 56 -16.502 -6.331 2.996 464 3HG1 VAL 56 3HG1 VAL 56 -15.054 -6.754 2.066 465 1HG2 VAL 56 1HG2 VAL 56 -15.076 -4.558 0.972 466 2HG2 VAL 56 2HG2 VAL 56 -16.402 -3.871 1.924 467 3HG2 VAL 56 3HG2 VAL 56 -14.825 -3.068 1.890 468 H MET 57 H MET 57 -16.279 -1.873 3.819 469 HA MET 57 HA MET 57 -13.797 -0.454 4.238 470 1HB MET 57 1HB MET 57 -14.850 1.471 3.646 471 2HB MET 57 2HB MET 57 -15.669 0.227 2.703 472 1HG MET 57 1HG MET 57 -17.504 0.245 4.420 473 2HG MET 57 2HG MET 57 -16.717 1.629 5.199 474 1HE MET 57 1HE MET 57 -15.728 3.117 2.296 475 2HE MET 57 2HE MET 57 -17.009 4.331 2.430 476 3HE MET 57 3HE MET 57 -16.137 3.802 3.885 477 H GLU 58 H GLU 58 -16.770 -0.862 6.233 478 HA GLU 58 HA GLU 58 -16.088 0.709 8.440 479 1HB GLU 58 1HB GLU 58 -18.279 -0.270 8.129 480 2HB GLU 58 2HB GLU 58 -17.632 -1.913 8.305 481 1HG GLU 58 1HG GLU 58 -17.065 -1.489 10.644 482 2HG GLU 58 2HG GLU 58 -17.499 0.217 10.466 483 H THR 59 H THR 59 -15.304 -2.679 7.755 484 HA THR 59 HA THR 59 -13.883 -3.414 10.039 485 HB THR 59 HB THR 59 -13.653 -4.129 7.100 486 HG1 THR 59 HG1 THR 59 -15.475 -4.777 8.107 487 1HG2 THR 59 1HG2 THR 59 -11.455 -4.663 7.782 488 2HG2 THR 59 2HG2 THR 59 -12.046 -5.452 9.277 489 3HG2 THR 59 3HG2 THR 59 -12.395 -6.141 7.669 490 H LEU 60 H LEU 60 -12.819 -1.266 7.405 491 HA LEU 60 HA LEU 60 -10.081 -1.075 8.612 492 1HB LEU 60 1HB LEU 60 -11.084 -0.343 5.848 493 2HB LEU 60 2HB LEU 60 -9.401 -0.272 6.405 494 HG LEU 60 HG LEU 60 -11.065 -2.829 6.134 495 1HD1 LEU 60 1HD1 LEU 60 -10.457 -1.878 4.013 496 2HD1 LEU 60 2HD1 LEU 60 -8.747 -1.744 4.506 497 3HD1 LEU 60 3HD1 LEU 60 -9.504 -3.345 4.314 498 1HD2 LEU 60 1HD2 LEU 60 -8.173 -2.391 7.004 499 2HD2 LEU 60 2HD2 LEU 60 -9.488 -3.065 7.995 500 3HD2 LEU 60 3HD2 LEU 60 -8.894 -3.966 6.606 501 H ASP 61 H ASP 61 -12.916 0.421 9.012 502 HA ASP 61 HA ASP 61 -12.212 3.104 8.195 503 1HB ASP 61 1HB ASP 61 -14.515 2.336 8.177 504 2HB ASP 61 2HB ASP 61 -14.485 2.109 9.932 505 H SER 62 H SER 62 -10.054 2.843 9.444 506 HA SER 62 HA SER 62 -9.930 3.392 12.200 507 1HB SER 62 1HB SER 62 -8.005 4.517 10.137 508 2HB SER 62 2HB SER 62 -7.698 4.101 11.826 509 HG SER 62 HG SER 62 -7.905 2.420 9.602 510 H ASP 63 H ASP 63 -10.967 5.479 9.577 511 HA ASP 63 HA ASP 63 -10.558 8.004 10.953 512 1HB ASP 63 1HB ASP 63 -12.524 7.284 8.726 513 2HB ASP 63 2HB ASP 63 -12.058 8.900 9.247 514 H GLY 64 H GLY 64 -12.835 5.390 11.359 515 1HA GLY 64 1HA GLY 64 -14.890 5.188 12.295 516 2HA GLY 64 2HA GLY 64 -14.345 6.436 13.429 517 H ASP 65 H ASP 65 -14.911 6.790 9.882 518 HA ASP 65 HA ASP 65 -16.880 8.957 10.504 519 1HB ASP 65 1HB ASP 65 -14.577 9.679 9.786 520 2HB ASP 65 2HB ASP 65 -14.830 8.817 8.257 521 H GLY 66 H GLY 66 -16.840 5.866 9.481 522 1HA GLY 66 1HA GLY 66 -18.300 4.642 8.248 523 2HA GLY 66 2HA GLY 66 -19.166 6.101 7.733 524 H GLU 67 H GLU 67 -17.676 7.571 6.362 525 HA GLU 67 HA GLU 67 -16.751 6.159 4.010 526 1HB GLU 67 1HB GLU 67 -16.062 8.365 3.180 527 2HB GLU 67 2HB GLU 67 -17.752 8.276 3.707 528 1HG GLU 67 1HG GLU 67 -17.173 9.452 5.812 529 2HG GLU 67 2HG GLU 67 -15.488 9.540 5.287 530 H CYS 68 H CYS 68 -14.611 5.866 3.313 531 HA CYS 68 HA CYS 68 -12.659 5.627 5.589 532 1HB CYS 68 1HB CYS 68 -13.395 3.819 3.265 533 2HB CYS 68 2HB CYS 68 -11.787 3.729 4.021 534 HG CYS 68 HG CYS 68 -13.106 1.870 5.147 535 H ASP 69 H ASP 69 -10.635 6.495 5.381 536 HA ASP 69 HA ASP 69 -10.351 8.296 3.167 537 1HB ASP 69 1HB ASP 69 -8.705 9.390 4.258 538 2HB ASP 69 2HB ASP 69 -9.786 8.855 5.550 539 H PHE 70 H PHE 70 -8.192 8.646 2.138 540 HA PHE 70 HA PHE 70 -7.496 6.635 0.409 541 1HB PHE 70 1HB PHE 70 -6.810 8.977 0.208 542 2HB PHE 70 2HB PHE 70 -5.603 8.752 1.464 543 HD1 PHE 70 HD1 PHE 70 -3.674 7.017 0.975 544 HD2 PHE 70 HD2 PHE 70 -6.434 8.373 -2.038 545 HE1 PHE 70 HE1 PHE 70 -2.554 5.603 -0.692 546 HE2 PHE 70 HE2 PHE 70 -5.346 6.898 -3.704 547 HZ PHE 70 HZ PHE 70 -3.454 5.458 -3.033 548 H GLN 71 H GLN 71 -5.881 7.191 3.599 549 HA GLN 71 HA GLN 71 -3.984 5.122 3.330 550 1HB GLN 71 1HB GLN 71 -3.756 6.757 5.069 551 2HB GLN 71 2HB GLN 71 -5.298 6.314 5.798 552 1HG GLN 71 1HG GLN 71 -3.533 5.450 7.134 553 2HG GLN 71 2HG GLN 71 -4.418 4.102 6.443 554 1HE2 GLN 71 1HE2 GLN 71 -3.368 2.968 4.519 555 2HE2 GLN 71 2HE2 GLN 71 -1.602 2.991 4.468 556 H GLU 72 H GLU 72 -7.348 4.960 4.664 557 HA GLU 72 HA GLU 72 -7.137 2.172 5.362 558 1HB GLU 72 1HB GLU 72 -9.689 3.613 4.587 559 2HB GLU 72 2HB GLU 72 -9.510 2.181 5.608 560 1HG GLU 72 1HG GLU 72 -9.079 5.068 6.253 561 2HG GLU 72 2HG GLU 72 -9.911 3.852 7.173 562 H PHE 73 H PHE 73 -8.332 3.845 2.455 563 HA PHE 73 HA PHE 73 -9.016 1.563 0.892 564 1HB PHE 73 1HB PHE 73 -9.658 3.584 0.018 565 2HB PHE 73 2HB PHE 73 -8.124 4.370 0.326 566 HD1 PHE 73 HD1 PHE 73 -6.297 4.314 -1.281 567 HD2 PHE 73 HD2 PHE 73 -9.935 2.099 -1.994 568 HE1 PHE 73 HE1 PHE 73 -5.713 4.113 -3.677 569 HE2 PHE 73 HE2 PHE 73 -9.365 1.947 -4.399 570 HZ PHE 73 HZ PHE 73 -7.275 3.001 -5.260 571 H MET 74 H MET 74 -5.832 3.189 1.328 572 HA MET 74 HA MET 74 -4.418 1.445 -0.355 573 1HB MET 74 1HB MET 74 -3.767 3.705 1.116 574 2HB MET 74 2HB MET 74 -2.849 2.449 1.956 575 1HG MET 74 1HG MET 74 -2.848 3.031 -1.035 576 2HG MET 74 2HG MET 74 -1.599 3.530 0.109 577 1HE MET 74 1HE MET 74 -1.282 1.908 -2.722 578 2HE MET 74 2HE MET 74 0.050 2.580 -1.754 579 3HE MET 74 3HE MET 74 0.084 0.868 -2.258 580 H ALA 75 H ALA 75 -5.131 1.199 3.113 581 HA ALA 75 HA ALA 75 -3.689 -1.218 3.603 582 1HB ALA 75 1HB ALA 75 -4.637 0.203 5.396 583 2HB ALA 75 2HB ALA 75 -6.273 -0.327 4.949 584 3HB ALA 75 3HB ALA 75 -5.097 -1.504 5.557 585 H PHE 76 H PHE 76 -7.014 -0.674 2.389 586 HA PHE 76 HA PHE 76 -7.802 -3.426 2.280 587 1HB PHE 76 1HB PHE 76 -9.434 -1.631 2.082 588 2HB PHE 76 2HB PHE 76 -8.683 -1.076 0.609 589 HD1 PHE 76 HD1 PHE 76 -10.377 -4.158 2.020 590 HD2 PHE 76 HD2 PHE 76 -9.346 -1.782 -1.463 591 HE1 PHE 76 HE1 PHE 76 -11.684 -5.678 0.548 592 HE2 PHE 76 HE2 PHE 76 -10.649 -3.298 -2.892 593 HZ PHE 76 HZ PHE 76 -11.738 -5.286 -1.940 594 H VAL 77 H VAL 77 -6.456 -1.229 -0.218 595 HA VAL 77 HA VAL 77 -6.112 -3.083 -2.306 596 HB VAL 77 HB VAL 77 -4.634 -0.570 -1.487 597 1HG1 VAL 77 1HG1 VAL 77 -3.691 -0.531 -3.817 598 2HG1 VAL 77 2HG1 VAL 77 -3.016 -1.829 -2.829 599 3HG1 VAL 77 3HG1 VAL 77 -4.259 -2.199 -4.045 600 1HG2 VAL 77 1HG2 VAL 77 -7.022 -0.369 -2.261 601 2HG2 VAL 77 2HG2 VAL 77 -5.877 0.437 -3.340 602 3HG2 VAL 77 3HG2 VAL 77 -6.560 -1.140 -3.786 603 H ALA 78 H ALA 78 -3.900 -2.316 0.429 604 HA ALA 78 HA ALA 78 -1.800 -3.993 -0.367 605 1HB ALA 78 1HB ALA 78 -1.013 -3.871 1.928 606 2HB ALA 78 2HB ALA 78 -1.591 -2.285 1.395 607 3HB ALA 78 3HB ALA 78 -2.591 -3.282 2.480 608 H MET 79 H MET 79 -4.533 -4.820 1.876 609 HA MET 79 HA MET 79 -3.652 -7.519 2.195 610 1HB MET 79 1HB MET 79 -5.950 -8.108 2.834 611 2HB MET 79 2HB MET 79 -5.268 -6.748 3.746 612 1HG MET 79 1HG MET 79 -6.625 -5.202 2.541 613 2HG MET 79 2HG MET 79 -7.173 -6.451 1.394 614 1HE MET 79 1HE MET 79 -8.708 -6.155 5.666 615 2HE MET 79 2HE MET 79 -7.040 -6.685 5.326 616 3HE MET 79 3HE MET 79 -7.534 -5.015 4.937 617 H ILE 80 H ILE 80 -5.893 -6.107 -0.242 618 HA ILE 80 HA ILE 80 -6.577 -8.609 -1.434 619 HB ILE 80 HB ILE 80 -6.472 -5.804 -2.609 620 1HG1 ILE 80 1HG1 ILE 80 -8.019 -6.075 -0.661 621 2HG1 ILE 80 2HG1 ILE 80 -8.794 -5.629 -2.178 622 1HG2 ILE 80 1HG2 ILE 80 -8.120 -6.708 -4.292 623 2HG2 ILE 80 2HG2 ILE 80 -6.468 -7.297 -4.479 624 3HG2 ILE 80 3HG2 ILE 80 -7.697 -8.344 -3.744 625 1HD1 ILE 80 1HD1 ILE 80 -9.598 -7.960 -2.428 626 2HD1 ILE 80 2HD1 ILE 80 -8.766 -8.403 -0.912 627 3HD1 ILE 80 3HD1 ILE 80 -10.091 -7.235 -0.887 628 H THR 81 H THR 81 -4.060 -6.221 -2.315 629 HA THR 81 HA THR 81 -3.065 -7.699 -4.528 630 HB THR 81 HB THR 81 -1.541 -5.750 -2.772 631 HG1 THR 81 HG1 THR 81 -3.415 -4.773 -3.476 632 1HG2 THR 81 1HG2 THR 81 -0.236 -7.065 -4.534 633 2HG2 THR 81 2HG2 THR 81 -1.274 -6.352 -5.758 634 3HG2 THR 81 3HG2 THR 81 -0.242 -5.299 -4.779 635 H THR 82 H THR 82 -2.108 -7.708 -1.034 636 HA THR 82 HA THR 82 0.069 -9.540 -1.354 637 HB THR 82 HB THR 82 -1.738 -9.103 1.063 638 HG1 THR 82 HG1 THR 82 -0.740 -7.207 0.418 639 1HG2 THR 82 1HG2 THR 82 0.235 -9.889 2.350 640 2HG2 THR 82 2HG2 THR 82 -0.389 -11.163 1.295 641 3HG2 THR 82 3HG2 THR 82 1.075 -10.272 0.832 642 H ALA 83 H ALA 83 -3.403 -10.125 -0.578 643 HA ALA 83 HA ALA 83 -3.220 -12.930 -0.407 644 1HB ALA 83 1HB ALA 83 -5.536 -11.193 -1.372 645 2HB ALA 83 2HB ALA 83 -5.665 -12.888 -0.873 646 3HB ALA 83 3HB ALA 83 -5.189 -11.655 0.307 647 H CYS 84 H CYS 84 -3.850 -10.829 -3.286 648 HA CYS 84 HA CYS 84 -4.015 -12.991 -5.127 649 1HB CYS 84 1HB CYS 84 -4.784 -10.818 -5.776 650 2HB CYS 84 2HB CYS 84 -3.131 -10.145 -5.674 651 HG CYS 84 HG CYS 84 -3.967 -10.682 -8.209 652 H HIS 85 H HIS 85 -1.119 -11.057 -4.083 653 HA HIS 85 HA HIS 85 0.745 -12.317 -5.755 654 1HB HIS 85 1HB HIS 85 1.138 -10.299 -4.351 655 2HB HIS 85 2HB HIS 85 1.230 -11.332 -2.922 656 HD1 HIS 85 HD1 HIS 85 3.018 -13.570 -4.859 657 HD2 HIS 85 HD2 HIS 85 3.677 -9.558 -3.801 658 HE1 HIS 85 HE1 HIS 85 5.538 -13.183 -5.016 659 H GLU 86 H GLU 86 -0.390 -13.300 -2.482 660 HA GLU 86 HA GLU 86 1.230 -15.668 -2.336 661 1HB GLU 86 1HB GLU 86 -1.433 -14.958 -1.043 662 2HB GLU 86 2HB GLU 86 -0.485 -16.404 -0.647 663 1HG GLU 86 1HG GLU 86 1.422 -15.041 0.054 664 2HG GLU 86 2HG GLU 86 0.609 -13.552 -0.427 665 H PHE 87 H PHE 87 -2.074 -15.098 -3.603 666 HA PHE 87 HA PHE 87 -2.621 -17.812 -4.319 667 1HB PHE 87 1HB PHE 87 -4.366 -16.116 -4.091 668 2HB PHE 87 2HB PHE 87 -3.689 -15.214 -5.437 669 HD1 PHE 87 HD1 PHE 87 -4.208 -15.730 -7.712 670 HD2 PHE 87 HD2 PHE 87 -5.323 -18.478 -4.577 671 HE1 PHE 87 HE1 PHE 87 -5.543 -17.038 -9.327 672 HE2 PHE 87 HE2 PHE 87 -6.664 -19.776 -6.202 673 HZ PHE 87 HZ PHE 87 -6.824 -19.032 -8.565 674 H PHE 88 H PHE 88 -0.812 -15.292 -5.930 675 HA PHE 88 HA PHE 88 -1.014 -15.855 -8.560 676 1HB PHE 88 1HB PHE 88 0.196 -13.981 -7.400 677 2HB PHE 88 2HB PHE 88 1.567 -15.077 -7.155 678 HD1 PHE 88 HD1 PHE 88 -0.398 -13.146 -9.645 679 HD2 PHE 88 HD2 PHE 88 3.102 -15.585 -8.973 680 HE1 PHE 88 HE1 PHE 88 0.571 -12.362 -11.791 681 HE2 PHE 88 HE2 PHE 88 4.066 -14.779 -11.108 682 HZ PHE 88 HZ PHE 88 2.805 -13.182 -12.523 683 H GLU 89 H GLU 89 0.802 -17.845 -6.295 684 HA GLU 89 HA GLU 89 2.442 -19.271 -8.146 685 1HB GLU 89 1HB GLU 89 1.024 -20.475 -5.736 686 2HB GLU 89 2HB GLU 89 2.524 -21.012 -6.508 687 1HG GLU 89 1HG GLU 89 2.059 -18.543 -4.790 688 2HG GLU 89 2HG GLU 89 3.169 -19.880 -4.509 689 H HIS 90 H HIS 90 -1.001 -19.614 -7.263 690 HA HIS 90 HA HIS 90 -1.472 -21.729 -9.290 691 1HB HIS 90 1HB HIS 90 -2.705 -21.757 -7.161 692 2HB HIS 90 2HB HIS 90 -3.358 -20.151 -7.502 693 HD1 HIS 90 HD1 HIS 90 -4.817 -20.083 -9.907 694 HD2 HIS 90 HD2 HIS 90 -4.071 -23.790 -8.098 695 HE1 HIS 90 HE1 HIS 90 -6.545 -21.739 -10.886 696 H GLU 91 H GLU 91 -0.278 -20.166 -10.770 697 HA GLU 91 HA GLU 91 -1.386 -17.661 -11.453 698 1HB GLU 91 1HB GLU 91 0.945 -18.492 -11.929 699 2HB GLU 91 2HB GLU 91 0.283 -19.446 -13.273 700 1HG GLU 91 1HG GLU 91 -0.543 -17.325 -14.319 701 2HG GLU 91 2HG GLU 91 0.092 -16.410 -12.938 702 1H SER 1 1H SER 1 -8.182 -2.649 -16.430 703 2H SER 1 2H SER 1 -8.631 -3.410 -15.035 704 3H SER 1 3H SER 1 -9.771 -3.060 -16.172 705 HA SER 1 HA SER 1 -9.476 -0.746 -15.890 706 1HB SER 1 1HB SER 1 -9.995 -2.231 -13.301 707 2HB SER 1 2HB SER 1 -10.559 -0.585 -13.708 708 HG SER 1 HG SER 1 -12.225 -2.096 -14.138 709 H GLU 2 H GLU 2 -8.739 0.971 -14.330 710 HA GLU 2 HA GLU 2 -5.957 0.994 -14.434 711 1HB GLU 2 1HB GLU 2 -7.678 2.780 -12.686 712 2HB GLU 2 2HB GLU 2 -6.068 3.134 -13.334 713 1HG GLU 2 1HG GLU 2 -8.701 2.934 -14.856 714 2HG GLU 2 2HG GLU 2 -7.669 4.341 -14.636 715 H LEU 3 H LEU 3 -7.975 0.735 -11.429 716 HA LEU 3 HA LEU 3 -5.757 0.440 -9.681 717 1HB LEU 3 1HB LEU 3 -8.437 -0.954 -9.388 718 2HB LEU 3 2HB LEU 3 -7.214 -0.702 -8.132 719 HG LEU 3 HG LEU 3 -9.010 1.374 -9.433 720 1HD1 LEU 3 1HD1 LEU 3 -8.567 0.391 -6.572 721 2HD1 LEU 3 2HD1 LEU 3 -9.671 1.688 -7.032 722 3HD1 LEU 3 3HD1 LEU 3 -9.968 0.033 -7.602 723 1HD2 LEU 3 1HD2 LEU 3 -7.885 3.042 -7.948 724 2HD2 LEU 3 2HD2 LEU 3 -6.652 1.832 -7.565 725 3HD2 LEU 3 3HD2 LEU 3 -6.820 2.454 -9.231 726 H GLU 4 H GLU 4 -7.610 -2.092 -11.419 727 HA GLU 4 HA GLU 4 -6.188 -4.331 -10.489 728 1HB GLU 4 1HB GLU 4 -7.400 -3.913 -13.243 729 2HB GLU 4 2HB GLU 4 -6.951 -5.463 -12.530 730 1HG GLU 4 1HG GLU 4 -8.582 -5.149 -10.704 731 2HG GLU 4 2HG GLU 4 -9.046 -3.575 -11.370 732 H LYS 5 H LYS 5 -5.448 -2.133 -13.214 733 HA LYS 5 HA LYS 5 -3.248 -3.600 -14.257 734 1HB LYS 5 1HB LYS 5 -4.351 -1.948 -15.589 735 2HB LYS 5 2HB LYS 5 -3.959 -0.661 -14.448 736 1HG LYS 5 1HG LYS 5 -2.536 -0.596 -16.435 737 2HG LYS 5 2HG LYS 5 -1.590 -0.808 -14.961 738 1HD LYS 5 1HD LYS 5 -1.321 -3.223 -15.440 739 2HD LYS 5 2HD LYS 5 -2.379 -3.071 -16.862 740 1HE LYS 5 1HE LYS 5 -0.742 -1.518 -17.901 741 2HE LYS 5 2HE LYS 5 0.285 -1.624 -16.457 742 1HZ LYS 5 1HZ LYS 5 -0.412 -3.867 -18.218 743 2HZ LYS 5 2HZ LYS 5 1.028 -3.068 -18.191 744 3HZ LYS 5 3HZ LYS 5 0.553 -3.950 -16.884 745 H ALA 6 H ALA 6 -3.415 -0.783 -12.055 746 HA ALA 6 HA ALA 6 -0.682 -0.500 -11.434 747 1HB ALA 6 1HB ALA 6 -2.349 1.142 -10.799 748 2HB ALA 6 2HB ALA 6 -3.207 -0.030 -9.793 749 3HB ALA 6 3HB ALA 6 -1.604 0.538 -9.299 750 H VAL 7 H VAL 7 -3.173 -2.455 -9.812 751 HA VAL 7 HA VAL 7 -1.594 -3.628 -7.799 752 HB VAL 7 HB VAL 7 -4.179 -4.313 -9.202 753 1HG1 VAL 7 1HG1 VAL 7 -3.082 -5.877 -6.861 754 2HG1 VAL 7 2HG1 VAL 7 -4.699 -5.984 -7.577 755 3HG1 VAL 7 3HG1 VAL 7 -3.287 -6.485 -8.523 756 1HG2 VAL 7 1HG2 VAL 7 -5.160 -3.627 -7.080 757 2HG2 VAL 7 2HG2 VAL 7 -3.558 -3.511 -6.326 758 3HG2 VAL 7 3HG2 VAL 7 -4.026 -2.361 -7.583 759 H VAL 8 H VAL 8 -2.431 -5.090 -11.062 760 HA VAL 8 HA VAL 8 -0.712 -7.323 -10.550 761 HB VAL 8 HB VAL 8 -0.749 -7.845 -12.895 762 1HG1 VAL 8 1HG1 VAL 8 -3.185 -8.185 -13.136 763 2HG1 VAL 8 2HG1 VAL 8 -2.578 -8.602 -11.529 764 3HG1 VAL 8 3HG1 VAL 8 -3.472 -7.083 -11.775 765 1HG2 VAL 8 1HG2 VAL 8 -2.034 -6.565 -14.532 766 2HG2 VAL 8 2HG2 VAL 8 -2.300 -5.298 -13.330 767 3HG2 VAL 8 3HG2 VAL 8 -0.664 -5.617 -13.936 768 H ALA 9 H ALA 9 -0.026 -4.100 -11.982 769 HA ALA 9 HA ALA 9 2.631 -4.664 -12.781 770 1HB ALA 9 1HB ALA 9 1.447 -2.589 -13.374 771 2HB ALA 9 2HB ALA 9 1.556 -2.033 -11.691 772 3HB ALA 9 3HB ALA 9 3.032 -2.274 -12.638 773 H LEU 10 H LEU 10 1.382 -3.546 -9.577 774 HA LEU 10 HA LEU 10 3.872 -3.450 -8.246 775 1HB LEU 10 1HB LEU 10 1.016 -3.764 -7.384 776 2HB LEU 10 2HB LEU 10 2.233 -4.375 -6.270 777 HG LEU 10 HG LEU 10 3.411 -2.172 -6.351 778 1HD1 LEU 10 1HD1 LEU 10 2.186 -0.204 -7.125 779 2HD1 LEU 10 2HD1 LEU 10 2.377 -1.314 -8.495 780 3HD1 LEU 10 3HD1 LEU 10 0.820 -1.207 -7.645 781 1HD2 LEU 10 1HD2 LEU 10 1.961 -2.834 -4.506 782 2HD2 LEU 10 2HD2 LEU 10 1.796 -1.097 -4.824 783 3HD2 LEU 10 3HD2 LEU 10 0.532 -2.223 -5.368 784 H ILE 11 H ILE 11 1.630 -6.265 -8.495 785 HA ILE 11 HA ILE 11 3.361 -8.023 -7.037 786 HB ILE 11 HB ILE 11 1.246 -8.689 -9.126 787 1HG1 ILE 11 1HG1 ILE 11 1.172 -8.586 -6.071 788 2HG1 ILE 11 2HG1 ILE 11 0.403 -7.436 -7.167 789 1HG2 ILE 11 1HG2 ILE 11 2.576 -10.492 -7.047 790 2HG2 ILE 11 2HG2 ILE 11 1.265 -10.963 -8.147 791 3HG2 ILE 11 3HG2 ILE 11 2.846 -10.586 -8.798 792 1HD1 ILE 11 1HD1 ILE 11 -1.293 -8.898 -6.384 793 2HD1 ILE 11 2HD1 ILE 11 -1.005 -9.313 -8.084 794 3HD1 ILE 11 3HD1 ILE 11 -0.376 -10.351 -6.780 795 H ASP 12 H ASP 12 2.972 -7.515 -10.558 796 HA ASP 12 HA ASP 12 4.749 -9.449 -11.470 797 1HB ASP 12 1HB ASP 12 3.234 -8.286 -12.952 798 2HB ASP 12 2HB ASP 12 4.036 -6.739 -12.640 799 H VAL 13 H VAL 13 5.437 -5.952 -10.866 800 HA VAL 13 HA VAL 13 8.235 -6.130 -11.433 801 HB VAL 13 HB VAL 13 6.580 -4.194 -9.768 802 1HG1 VAL 13 1HG1 VAL 13 8.494 -2.634 -9.953 803 2HG1 VAL 13 2HG1 VAL 13 8.906 -4.035 -8.963 804 3HG1 VAL 13 3HG1 VAL 13 9.489 -3.932 -10.641 805 1HG2 VAL 13 1HG2 VAL 13 7.835 -3.921 -12.540 806 2HG2 VAL 13 2HG2 VAL 13 6.121 -4.255 -12.247 807 3HG2 VAL 13 3HG2 VAL 13 6.820 -2.720 -11.715 808 H PHE 14 H PHE 14 6.468 -6.077 -8.270 809 HA PHE 14 HA PHE 14 8.776 -6.211 -6.689 810 1HB PHE 14 1HB PHE 14 6.592 -5.657 -5.777 811 2HB PHE 14 2HB PHE 14 5.986 -7.273 -6.138 812 HD1 PHE 14 HD1 PHE 14 8.125 -5.293 -3.860 813 HD2 PHE 14 HD2 PHE 14 6.709 -9.246 -4.843 814 HE1 PHE 14 HE1 PHE 14 8.798 -6.120 -1.611 815 HE2 PHE 14 HE2 PHE 14 7.533 -10.073 -2.699 816 HZ PHE 14 HZ PHE 14 8.491 -8.498 -1.006 817 H HIS 15 H HIS 15 6.696 -8.986 -7.784 818 HA HIS 15 HA HIS 15 8.226 -10.804 -6.258 819 1HB HIS 15 1HB HIS 15 6.920 -12.486 -7.005 820 2HB HIS 15 2HB HIS 15 5.845 -11.099 -7.165 821 HD1 HIS 15 HD1 HIS 15 6.392 -10.062 -10.011 822 HD2 HIS 15 HD2 HIS 15 6.593 -14.128 -8.936 823 HE1 HIS 15 HE1 HIS 15 6.180 -11.408 -12.171 824 H GLN 16 H GLN 16 8.675 -9.651 -9.599 825 HA GLN 16 HA GLN 16 10.601 -11.630 -10.373 826 1HB GLN 16 1HB GLN 16 9.483 -10.031 -11.942 827 2HB GLN 16 2HB GLN 16 10.391 -8.701 -11.207 828 1HG GLN 16 1HG GLN 16 12.536 -10.033 -11.825 829 2HG GLN 16 2HG GLN 16 11.481 -11.047 -12.814 830 1HE2 GLN 16 1HE2 GLN 16 9.816 -9.387 -14.135 831 2HE2 GLN 16 2HE2 GLN 16 10.715 -8.163 -15.017 832 H TYR 17 H TYR 17 10.920 -8.347 -8.903 833 HA TYR 17 HA TYR 17 13.771 -8.385 -8.721 834 1HB TYR 17 1HB TYR 17 11.584 -6.842 -7.323 835 2HB TYR 17 2HB TYR 17 13.242 -6.731 -6.768 836 HD1 TYR 17 HD1 TYR 17 14.497 -4.951 -7.528 837 HD2 TYR 17 HD2 TYR 17 11.499 -6.591 -10.153 838 HE1 TYR 17 HE1 TYR 17 14.767 -3.024 -9.081 839 HE2 TYR 17 HE2 TYR 17 11.695 -4.621 -11.618 840 HH TYR 17 HH TYR 17 12.376 -2.284 -11.490 841 H SER 18 H SER 18 11.310 -9.026 -6.212 842 HA SER 18 HA SER 18 12.972 -9.868 -4.127 843 1HB SER 18 1HB SER 18 10.176 -10.878 -4.777 844 2HB SER 18 2HB SER 18 10.942 -10.739 -3.187 845 HG SER 18 HG SER 18 9.941 -8.717 -4.810 846 H GLY 19 H GLY 19 11.688 -11.771 -6.877 847 1HA GLY 19 1HA GLY 19 12.441 -14.345 -6.007 848 2HA GLY 19 2HA GLY 19 12.245 -13.797 -7.682 849 H ARG 20 H ARG 20 14.393 -11.687 -7.481 850 HA ARG 20 HA ARG 20 16.444 -13.495 -8.379 851 1HB ARG 20 1HB ARG 20 17.017 -10.590 -7.863 852 2HB ARG 20 2HB ARG 20 17.679 -11.693 -9.069 853 1HG ARG 20 1HG ARG 20 15.092 -11.712 -9.899 854 2HG ARG 20 2HG ARG 20 15.100 -10.181 -9.025 855 1HD ARG 20 1HD ARG 20 17.268 -9.629 -10.389 856 2HD ARG 20 2HD ARG 20 16.734 -10.936 -11.438 857 HE ARG 20 HE ARG 20 14.944 -9.654 -12.191 858 1HH1 ARG 20 2HH2 ARG 20 16.383 -8.024 -9.374 859 2HH1 ARG 20 1HH2 ARG 20 15.941 -6.432 -9.922 860 1HH2 ARG 20 2HH1 ARG 20 13.995 -7.626 -12.650 861 2HH2 ARG 20 1HH1 ARG 20 14.385 -6.236 -11.663 862 H GLU 21 H GLU 21 16.154 -11.393 -5.477 863 HA GLU 21 HA GLU 21 17.908 -13.260 -4.062 864 1HB GLU 21 1HB GLU 21 18.569 -10.306 -4.014 865 2HB GLU 21 2HB GLU 21 19.254 -11.554 -2.986 866 1HG GLU 21 1HG GLU 21 20.249 -12.656 -4.970 867 2HG GLU 21 2HG GLU 21 19.542 -11.414 -6.019 868 H GLY 22 H GLY 22 16.770 -13.890 -2.423 869 1HA GLY 22 1HA GLY 22 16.102 -13.113 -0.145 870 2HA GLY 22 2HA GLY 22 14.936 -12.045 -0.951 871 H ASP 23 H ASP 23 13.048 -12.942 -1.833 872 HA ASP 23 HA ASP 23 12.797 -15.704 -2.568 873 1HB ASP 23 1HB ASP 23 12.481 -16.248 -0.254 874 2HB ASP 23 2HB ASP 23 11.593 -14.759 0.063 875 H LYS 24 H LYS 24 10.533 -15.958 -3.539 876 HA LYS 24 HA LYS 24 9.809 -13.864 -5.160 877 1HB LYS 24 1HB LYS 24 7.730 -15.010 -5.559 878 2HB LYS 24 2HB LYS 24 9.046 -16.181 -5.400 879 1HG LYS 24 1HG LYS 24 8.299 -16.556 -2.983 880 2HG LYS 24 2HG LYS 24 6.908 -15.508 -3.333 881 1HD LYS 24 1HD LYS 24 6.322 -17.073 -5.246 882 2HD LYS 24 2HD LYS 24 7.635 -18.128 -4.707 883 1HE LYS 24 1HE LYS 24 5.616 -19.008 -3.764 884 2HE LYS 24 2HE LYS 24 6.511 -18.266 -2.431 885 1HZ LYS 24 1HZ LYS 24 4.291 -17.015 -3.910 886 2HZ LYS 24 2HZ LYS 24 4.175 -17.710 -2.419 887 3HZ LYS 24 3HZ LYS 24 5.086 -16.353 -2.625 888 H HIS 25 H HIS 25 8.747 -14.309 -1.783 889 HA HIS 25 HA HIS 25 6.920 -11.991 -2.007 890 1HB HIS 25 1HB HIS 25 6.321 -14.313 -1.076 891 2HB HIS 25 2HB HIS 25 7.182 -13.797 0.375 892 HD1 HIS 25 HD1 HIS 25 5.707 -12.305 2.003 893 HD2 HIS 25 HD2 HIS 25 4.172 -12.742 -1.892 894 HE1 HIS 25 HE1 HIS 25 3.345 -11.344 2.032 895 H LYS 26 H LYS 26 10.177 -12.198 -1.451 896 HA LYS 26 HA LYS 26 10.244 -10.227 0.774 897 1HB LYS 26 1HB LYS 26 12.094 -12.600 0.546 898 2HB LYS 26 2HB LYS 26 11.975 -11.444 1.863 899 1HG LYS 26 1HG LYS 26 9.795 -13.479 1.183 900 2HG LYS 26 2HG LYS 26 11.144 -13.764 2.276 901 1HD LYS 26 1HD LYS 26 10.404 -11.746 3.638 902 2HD LYS 26 2HD LYS 26 8.965 -11.694 2.603 903 1HE LYS 26 1HE LYS 26 8.466 -12.855 4.690 904 2HE LYS 26 2HE LYS 26 8.335 -13.972 3.323 905 1HZ LYS 26 1HZ LYS 26 10.670 -13.740 5.112 906 2HZ LYS 26 2HZ LYS 26 9.498 -14.893 5.217 907 3HZ LYS 26 3HZ LYS 26 10.481 -14.836 3.900 908 H LEU 27 H LEU 27 11.511 -8.497 0.184 909 HA LEU 27 HA LEU 27 13.470 -8.717 -2.043 910 1HB LEU 27 1HB LEU 27 12.447 -6.415 -0.345 911 2HB LEU 27 2HB LEU 27 13.741 -6.231 -1.530 912 HG LEU 27 HG LEU 27 10.996 -7.225 -2.297 913 1HD1 LEU 27 1HD1 LEU 27 10.516 -4.900 -2.986 914 2HD1 LEU 27 2HD1 LEU 27 10.866 -4.952 -1.245 915 3HD1 LEU 27 3HD1 LEU 27 12.104 -4.388 -2.386 916 1HD2 LEU 27 1HD2 LEU 27 13.215 -5.875 -3.925 917 2HD2 LEU 27 2HD2 LEU 27 12.875 -7.613 -3.943 918 3HD2 LEU 27 3HD2 LEU 27 11.666 -6.474 -4.550 919 H LYS 28 H LYS 28 15.590 -9.252 -1.578 920 HA LYS 28 HA LYS 28 16.729 -8.619 1.069 921 1HB LYS 28 1HB LYS 28 17.194 -10.710 -0.134 922 2HB LYS 28 2HB LYS 28 18.007 -9.802 -1.422 923 1HG LYS 28 1HG LYS 28 19.838 -9.321 -0.130 924 2HG LYS 28 2HG LYS 28 18.945 -9.381 1.418 925 1HD LYS 28 1HD LYS 28 18.743 -11.766 1.336 926 2HD LYS 28 2HD LYS 28 19.491 -11.852 -0.271 927 1HE LYS 28 1HE LYS 28 20.880 -10.855 2.269 928 2HE LYS 28 2HE LYS 28 21.060 -12.469 1.568 929 1HZ LYS 28 1HZ LYS 28 21.808 -9.958 0.244 930 2HZ LYS 28 2HZ LYS 28 22.836 -11.057 0.909 931 3HZ LYS 28 3HZ LYS 28 21.940 -11.463 -0.409 932 H LYS 29 H LYS 29 18.769 -7.200 1.130 933 HA LYS 29 HA LYS 29 18.083 -4.671 0.252 934 1HB LYS 29 1HB LYS 29 20.048 -3.822 1.127 935 2HB LYS 29 2HB LYS 29 19.574 -5.122 2.176 936 1HG LYS 29 1HG LYS 29 21.766 -5.293 0.042 937 2HG LYS 29 2HG LYS 29 22.030 -4.884 1.721 938 1HD LYS 29 1HD LYS 29 21.023 -7.549 0.665 939 2HD LYS 29 2HD LYS 29 22.615 -7.194 1.315 940 1HE LYS 29 1HE LYS 29 20.003 -7.213 2.911 941 2HE LYS 29 2HE LYS 29 21.337 -8.365 3.005 942 1HZ LYS 29 1HZ LYS 29 22.735 -6.573 3.777 943 2HZ LYS 29 2HZ LYS 29 21.458 -5.529 3.749 944 3HZ LYS 29 3HZ LYS 29 21.441 -6.813 4.770 945 H SER 30 H SER 30 20.255 -6.911 -1.467 946 HA SER 30 HA SER 30 21.231 -5.292 -3.436 947 1HB SER 30 1HB SER 30 20.104 -7.997 -4.145 948 2HB SER 30 2HB SER 30 21.706 -7.329 -4.469 949 HG SER 30 HG SER 30 21.670 -8.988 -2.836 950 H GLU 31 H GLU 31 17.970 -6.754 -3.148 951 HA GLU 31 HA GLU 31 17.118 -5.808 -5.797 952 1HB GLU 31 1HB GLU 31 15.470 -7.170 -3.623 953 2HB GLU 31 2HB GLU 31 15.086 -6.997 -5.345 954 1HG GLU 31 1HG GLU 31 17.305 -8.620 -4.090 955 2HG GLU 31 2HG GLU 31 15.903 -9.275 -4.907 956 H LEU 32 H LEU 32 16.407 -5.219 -2.344 957 HA LEU 32 HA LEU 32 14.340 -3.380 -2.666 958 1HB LEU 32 1HB LEU 32 15.078 -4.466 -0.570 959 2HB LEU 32 2HB LEU 32 16.499 -3.407 -0.527 960 HG LEU 32 HG LEU 32 14.566 -2.903 1.005 961 1HD1 LEU 32 1HD1 LEU 32 16.384 -1.329 0.631 962 2HD1 LEU 32 2HD1 LEU 32 15.499 -0.589 -0.722 963 3HD1 LEU 32 3HD1 LEU 32 14.840 -0.519 0.915 964 1HD2 LEU 32 1HD2 LEU 32 12.706 -3.185 -0.533 965 2HD2 LEU 32 2HD2 LEU 32 12.697 -1.585 0.214 966 3HD2 LEU 32 3HD2 LEU 32 13.229 -1.760 -1.467 967 H LYS 33 H LYS 33 17.872 -2.831 -2.650 968 HA LYS 33 HA LYS 33 17.966 -0.033 -2.854 969 1HB LYS 33 1HB LYS 33 19.950 -1.376 -2.549 970 2HB LYS 33 2HB LYS 33 19.644 -2.325 -3.973 971 1HG LYS 33 1HG LYS 33 20.245 -0.367 -5.388 972 2HG LYS 33 2HG LYS 33 20.329 0.664 -3.941 973 1HD LYS 33 1HD LYS 33 22.160 -0.768 -3.044 974 2HD LYS 33 2HD LYS 33 22.085 -1.778 -4.505 975 1HE LYS 33 1HE LYS 33 22.666 0.189 -5.899 976 2HE LYS 33 2HE LYS 33 22.639 1.217 -4.452 977 1HZ LYS 33 1HZ LYS 33 24.851 0.580 -5.057 978 2HZ LYS 33 2HZ LYS 33 24.456 -0.013 -3.578 979 3HZ LYS 33 3HZ LYS 33 24.488 -1.022 -4.887 980 H GLU 34 H GLU 34 18.041 -2.380 -5.624 981 HA GLU 34 HA GLU 34 17.886 -0.184 -7.487 982 1HB GLU 34 1HB GLU 34 17.536 -1.965 -9.219 983 2HB GLU 34 2HB GLU 34 19.014 -2.131 -8.262 984 1HG GLU 34 1HG GLU 34 18.099 -3.938 -6.975 985 2HG GLU 34 2HG GLU 34 16.480 -3.694 -7.624 986 H LEU 35 H LEU 35 15.511 -2.333 -6.033 987 HA LEU 35 HA LEU 35 13.223 -1.760 -7.558 988 1HB LEU 35 1HB LEU 35 13.401 -3.495 -5.844 989 2HB LEU 35 2HB LEU 35 13.625 -2.286 -4.595 990 HG LEU 35 HG LEU 35 11.480 -3.288 -4.454 991 1HD1 LEU 35 1HD1 LEU 35 10.110 -1.432 -4.160 992 2HD1 LEU 35 2HD1 LEU 35 11.734 -0.805 -3.961 993 3HD1 LEU 35 3HD1 LEU 35 10.839 -0.519 -5.480 994 1HD2 LEU 35 1HD2 LEU 35 10.940 -2.368 -7.281 995 2HD2 LEU 35 2HD2 LEU 35 11.139 -4.037 -6.727 996 3HD2 LEU 35 3HD2 LEU 35 9.739 -3.090 -6.187 997 H ILE 36 H ILE 36 14.399 -0.009 -4.542 998 HA ILE 36 HA ILE 36 12.356 1.983 -4.934 999 HB ILE 36 HB ILE 36 14.888 2.202 -3.275 1000 1HG1 ILE 36 1HG1 ILE 36 12.006 1.479 -2.517 1001 2HG1 ILE 36 2HG1 ILE 36 13.350 0.340 -2.610 1002 1HG2 ILE 36 1HG2 ILE 36 13.641 4.058 -2.148 1003 2HG2 ILE 36 2HG2 ILE 36 13.875 4.425 -3.850 1004 3HG2 ILE 36 3HG2 ILE 36 12.300 3.843 -3.284 1005 1HD1 ILE 36 1HD1 ILE 36 14.549 1.674 -0.840 1006 2HD1 ILE 36 2HD1 ILE 36 13.050 2.605 -0.612 1007 3HD1 ILE 36 3HD1 ILE 36 13.055 0.868 -0.316 1008 H ASN 37 H ASN 37 15.860 1.966 -5.709 1009 HA ASN 37 HA ASN 37 16.131 4.606 -6.632 1010 1HB ASN 37 1HB ASN 37 17.470 2.012 -7.484 1011 2HB ASN 37 2HB ASN 37 17.817 3.535 -8.320 1012 1HD2 ASN 37 2HD2 ASN 37 17.842 2.117 -5.011 1013 2HD2 ASN 37 1HD2 ASN 37 19.248 3.047 -4.502 1014 H ASN 38 H ASN 38 15.206 1.720 -8.545 1015 HA ASN 38 HA ASN 38 14.862 3.288 -10.974 1016 1HB ASN 38 1HB ASN 38 15.650 0.962 -11.005 1017 2HB ASN 38 2HB ASN 38 14.133 0.423 -10.245 1018 1HD2 ASN 38 2HD2 ASN 38 14.025 -1.030 -12.087 1019 2HD2 ASN 38 1HD2 ASN 38 13.363 -0.424 -13.606 1020 H GLU 39 H GLU 39 12.599 1.475 -8.746 1021 HA GLU 39 HA GLU 39 10.382 2.228 -10.401 1022 1HB GLU 39 1HB GLU 39 10.287 1.047 -7.637 1023 2HB GLU 39 2HB GLU 39 9.002 1.144 -8.834 1024 1HG GLU 39 1HG GLU 39 11.563 -0.472 -9.182 1025 2HG GLU 39 2HG GLU 39 9.965 -1.100 -8.771 1026 H LEU 40 H LEU 40 11.861 3.832 -7.661 1027 HA LEU 40 HA LEU 40 9.734 5.933 -7.875 1028 1HB LEU 40 1HB LEU 40 11.556 5.227 -5.544 1029 2HB LEU 40 2HB LEU 40 10.698 6.752 -5.711 1030 HG LEU 40 HG LEU 40 8.530 5.567 -5.825 1031 1HD1 LEU 40 1HD1 LEU 40 9.206 3.249 -6.306 1032 2HD1 LEU 40 2HD1 LEU 40 10.225 3.222 -4.843 1033 3HD1 LEU 40 3HD1 LEU 40 8.457 3.317 -4.711 1034 1HD2 LEU 40 1HD2 LEU 40 8.497 5.231 -3.342 1035 2HD2 LEU 40 2HD2 LEU 40 10.269 5.341 -3.333 1036 3HD2 LEU 40 3HD2 LEU 40 9.291 6.733 -3.836 1037 H SER 41 H SER 41 11.891 5.525 -9.889 1038 HA SER 41 HA SER 41 14.130 7.118 -9.380 1039 1HB SER 41 1HB SER 41 14.238 7.355 -11.865 1040 2HB SER 41 2HB SER 41 13.995 5.692 -11.323 1041 HG SER 41 HG SER 41 12.302 5.738 -12.588 1042 H HIS 42 H HIS 42 10.866 8.150 -10.178 1043 HA HIS 42 HA HIS 42 11.740 10.976 -10.539 1044 1HB HIS 42 1HB HIS 42 8.936 9.807 -10.688 1045 2HB HIS 42 2HB HIS 42 9.465 11.417 -11.134 1046 HD1 HIS 42 HD1 HIS 42 11.138 8.074 -12.387 1047 HD2 HIS 42 HD2 HIS 42 8.765 11.338 -13.636 1048 HE1 HIS 42 HE1 HIS 42 10.814 7.834 -14.881 1049 H PHE 43 H PHE 43 9.726 8.889 -8.472 1050 HA PHE 43 HA PHE 43 8.777 10.922 -6.757 1051 1HB PHE 43 1HB PHE 43 8.804 7.950 -6.758 1052 2HB PHE 43 2HB PHE 43 8.706 8.675 -5.171 1053 HD1 PHE 43 HD1 PHE 43 7.191 9.630 -8.510 1054 HD2 PHE 43 HD2 PHE 43 6.539 8.691 -4.365 1055 HE1 PHE 43 HE1 PHE 43 4.746 9.859 -8.836 1056 HE2 PHE 43 HE2 PHE 43 4.069 8.778 -4.719 1057 HZ PHE 43 HZ PHE 43 3.186 9.412 -6.949 1058 H LEU 44 H LEU 44 11.659 8.810 -6.294 1059 HA LEU 44 HA LEU 44 12.519 10.564 -4.064 1060 1HB LEU 44 1HB LEU 44 12.117 7.650 -4.104 1061 2HB LEU 44 2HB LEU 44 13.799 8.062 -3.800 1062 HG LEU 44 HG LEU 44 13.053 9.663 -2.033 1063 1HD1 LEU 44 1HD1 LEU 44 10.702 10.007 -2.685 1064 2HD1 LEU 44 2HD1 LEU 44 10.355 8.292 -2.403 1065 3HD1 LEU 44 3HD1 LEU 44 10.788 9.352 -1.048 1066 1HD2 LEU 44 1HD2 LEU 44 13.895 7.410 -1.484 1067 2HD2 LEU 44 2HD2 LEU 44 12.629 7.894 -0.349 1068 3HD2 LEU 44 3HD2 LEU 44 12.257 6.743 -1.653 1069 H GLU 45 H GLU 45 14.901 10.510 -3.782 1070 HA GLU 45 HA GLU 45 16.255 10.857 -6.360 1071 1HB GLU 45 1HB GLU 45 16.746 11.609 -3.521 1072 2HB GLU 45 2HB GLU 45 18.200 11.074 -4.343 1073 1HG GLU 45 1HG GLU 45 16.322 13.203 -5.446 1074 2HG GLU 45 2HG GLU 45 17.763 13.535 -4.477 1075 H GLU 46 H GLU 46 18.496 9.920 -6.503 1076 HA GLU 46 HA GLU 46 18.403 7.054 -6.577 1077 1HB GLU 46 1HB GLU 46 19.774 8.475 -8.127 1078 2HB GLU 46 2HB GLU 46 20.713 9.065 -6.744 1079 1HG GLU 46 1HG GLU 46 21.494 6.686 -6.345 1080 2HG GLU 46 2HG GLU 46 20.664 6.225 -7.841 1081 H ILE 47 H ILE 47 19.218 5.614 -5.212 1082 HA ILE 47 HA ILE 47 20.324 6.463 -2.572 1083 HB ILE 47 HB ILE 47 18.506 4.055 -2.702 1084 1HG1 ILE 47 1HG1 ILE 47 17.534 6.909 -2.773 1085 2HG1 ILE 47 2HG1 ILE 47 17.173 5.613 -3.942 1086 1HG2 ILE 47 1HG2 ILE 47 18.857 6.264 -0.636 1087 2HG2 ILE 47 2HG2 ILE 47 18.093 4.681 -0.402 1088 3HG2 ILE 47 3HG2 ILE 47 19.837 4.782 -0.675 1089 1HD1 ILE 47 1HD1 ILE 47 16.184 5.778 -1.093 1090 2HD1 ILE 47 2HD1 ILE 47 15.285 5.885 -2.620 1091 3HD1 ILE 47 3HD1 ILE 47 16.042 4.341 -2.149 1092 H LYS 48 H LYS 48 22.235 6.107 -3.979 1093 HA LYS 48 HA LYS 48 22.902 3.471 -4.851 1094 1HB LYS 48 1HB LYS 48 25.021 4.326 -5.445 1095 2HB LYS 48 2HB LYS 48 23.768 5.451 -5.950 1096 1HG LYS 48 1HG LYS 48 25.628 5.812 -3.542 1097 2HG LYS 48 2HG LYS 48 25.817 6.506 -5.146 1098 1HD LYS 48 1HD LYS 48 23.506 7.632 -4.791 1099 2HD LYS 48 2HD LYS 48 23.695 7.185 -3.078 1100 1HE LYS 48 1HE LYS 48 24.457 9.429 -3.336 1101 2HE LYS 48 2HE LYS 48 25.885 8.419 -3.052 1102 1HZ LYS 48 1HZ LYS 48 26.170 10.024 -4.824 1103 2HZ LYS 48 2HZ LYS 48 24.937 9.344 -5.683 1104 3HZ LYS 48 3HZ LYS 48 26.316 8.489 -5.399 1105 H GLU 49 H GLU 49 23.460 5.203 -1.828 1106 HA GLU 49 HA GLU 49 25.593 3.483 -0.927 1107 1HB GLU 49 1HB GLU 49 25.311 5.823 -0.197 1108 2HB GLU 49 2HB GLU 49 23.837 5.373 0.677 1109 1HG GLU 49 1HG GLU 49 25.187 3.772 2.062 1110 2HG GLU 49 2HG GLU 49 26.643 4.250 1.170 1111 H GLN 50 H GLN 50 25.014 1.361 -0.916 1112 HA GLN 50 HA GLN 50 22.859 -0.069 -0.280 1113 1HB GLN 50 1HB GLN 50 25.067 -1.037 -0.781 1114 2HB GLN 50 2HB GLN 50 25.631 -0.620 0.845 1115 1HG GLN 50 1HG GLN 50 23.805 -2.122 1.791 1116 2HG GLN 50 2HG GLN 50 23.359 -2.537 0.130 1117 1HE2 GLN 50 1HE2 GLN 50 26.263 -2.403 2.302 1118 2HE2 GLN 50 2HE2 GLN 50 26.930 -3.925 1.716 1119 H GLU 51 H GLU 51 24.985 1.300 2.277 1120 HA GLU 51 HA GLU 51 23.677 0.121 4.451 1121 1HB GLU 51 1HB GLU 51 25.009 2.851 4.473 1122 2HB GLU 51 2HB GLU 51 24.796 1.740 5.834 1123 1HG GLU 51 1HG GLU 51 26.660 1.415 3.440 1124 2HG GLU 51 2HG GLU 51 27.075 1.523 5.146 1125 H VAL 52 H VAL 52 22.733 3.028 2.631 1126 HA VAL 52 HA VAL 52 20.786 3.924 4.595 1127 HB VAL 52 HB VAL 52 21.009 4.475 1.604 1128 1HG1 VAL 52 1HG1 VAL 52 19.432 5.906 3.773 1129 2HG1 VAL 52 2HG1 VAL 52 19.524 6.341 2.052 1130 3HG1 VAL 52 3HG1 VAL 52 18.708 4.862 2.526 1131 1HG2 VAL 52 1HG2 VAL 52 21.975 6.634 2.327 1132 2HG2 VAL 52 2HG2 VAL 52 21.881 6.128 4.026 1133 3HG2 VAL 52 3HG2 VAL 52 22.975 5.295 2.908 1134 H VAL 53 H VAL 53 20.700 1.894 1.593 1135 HA VAL 53 HA VAL 53 17.898 1.537 1.719 1136 HB VAL 53 HB VAL 53 18.011 0.271 -0.053 1137 1HG1 VAL 53 1HG1 VAL 53 20.896 1.170 -0.232 1138 2HG1 VAL 53 2HG1 VAL 53 19.801 0.778 -1.555 1139 3HG1 VAL 53 3HG1 VAL 53 19.475 2.193 -0.551 1140 1HG2 VAL 53 1HG2 VAL 53 18.860 -1.775 1.041 1141 2HG2 VAL 53 2HG2 VAL 53 19.450 -1.569 -0.576 1142 3HG2 VAL 53 3HG2 VAL 53 20.527 -1.211 0.768 1143 H ASP 54 H ASP 54 20.624 -0.301 3.044 1144 HA ASP 54 HA ASP 54 19.254 -2.413 4.270 1145 1HB ASP 54 1HB ASP 54 21.717 -2.247 4.071 1146 2HB ASP 54 2HB ASP 54 21.725 -0.998 5.331 1147 H LYS 55 H LYS 55 19.996 0.913 5.531 1148 HA LYS 55 HA LYS 55 18.713 0.561 8.024 1149 1HB LYS 55 1HB LYS 55 20.185 2.411 7.568 1150 2HB LYS 55 2HB LYS 55 19.063 3.123 6.409 1151 1HG LYS 55 1HG LYS 55 18.121 2.567 9.238 1152 2HG LYS 55 2HG LYS 55 19.179 3.950 8.919 1153 1HD LYS 55 1HD LYS 55 17.578 4.827 7.243 1154 2HD LYS 55 2HD LYS 55 16.467 3.497 7.588 1155 1HE LYS 55 1HE LYS 55 16.438 4.212 10.010 1156 2HE LYS 55 2HE LYS 55 17.348 5.658 9.526 1157 1HZ LYS 55 1HZ LYS 55 15.030 6.098 9.564 1158 2HZ LYS 55 2HZ LYS 55 15.522 6.126 7.986 1159 3HZ LYS 55 3HZ LYS 55 14.700 4.821 8.576 1160 H VAL 56 H VAL 56 17.292 1.754 4.870 1161 HA VAL 56 HA VAL 56 14.770 2.143 6.175 1162 HB VAL 56 HB VAL 56 13.705 2.610 4.227 1163 1HG1 VAL 56 1HG1 VAL 56 15.396 4.252 5.015 1164 2HG1 VAL 56 2HG1 VAL 56 16.546 3.612 3.823 1165 3HG1 VAL 56 3HG1 VAL 56 15.044 4.370 3.283 1166 1HG2 VAL 56 1HG2 VAL 56 14.262 0.773 2.771 1167 2HG2 VAL 56 2HG2 VAL 56 14.590 2.312 1.962 1168 3HG2 VAL 56 3HG2 VAL 56 15.930 1.364 2.619 1169 H MET 57 H MET 57 16.014 -0.752 4.342 1170 HA MET 57 HA MET 57 13.531 -2.129 4.755 1171 1HB MET 57 1HB MET 57 14.727 -4.246 4.586 1172 2HB MET 57 2HB MET 57 14.830 -3.183 3.184 1173 1HG MET 57 1HG MET 57 17.099 -2.835 3.465 1174 2HG MET 57 2HG MET 57 17.073 -3.241 5.195 1175 1HE MET 57 1HE MET 57 15.136 -5.687 2.869 1176 2HE MET 57 2HE MET 57 16.263 -4.938 1.711 1177 3HE MET 57 3HE MET 57 16.457 -6.641 2.200 1178 H GLU 58 H GLU 58 16.467 -1.949 6.864 1179 HA GLU 58 HA GLU 58 15.545 -3.646 8.903 1180 1HB GLU 58 1HB GLU 58 17.802 -2.735 8.818 1181 2HB GLU 58 2HB GLU 58 17.203 -1.089 9.075 1182 1HG GLU 58 1HG GLU 58 16.435 -1.658 11.326 1183 2HG GLU 58 2HG GLU 58 16.839 -3.359 11.056 1184 H THR 59 H THR 59 14.941 -0.189 8.423 1185 HA THR 59 HA THR 59 13.312 0.349 10.668 1186 HB THR 59 HB THR 59 13.308 1.549 7.867 1187 HG1 THR 59 HG1 THR 59 15.246 1.736 8.939 1188 1HG2 THR 59 1HG2 THR 59 11.213 2.202 8.834 1189 2HG2 THR 59 2HG2 THR 59 12.017 2.655 10.364 1190 3HG2 THR 59 3HG2 THR 59 12.333 3.561 8.863 1191 H LEU 60 H LEU 60 12.394 -0.906 7.417 1192 HA LEU 60 HA LEU 60 9.543 -0.791 8.071 1193 1HB LEU 60 1HB LEU 60 11.082 -2.009 5.745 1194 2HB LEU 60 2HB LEU 60 9.325 -1.885 5.834 1195 HG LEU 60 HG LEU 60 11.097 0.584 5.966 1196 1HD1 LEU 60 1HD1 LEU 60 9.822 -0.743 3.534 1197 2HD1 LEU 60 2HD1 LEU 60 10.642 0.838 3.555 1198 3HD1 LEU 60 3HD1 LEU 60 11.561 -0.637 3.869 1199 1HD2 LEU 60 1HD2 LEU 60 8.828 0.833 6.818 1200 2HD2 LEU 60 2HD2 LEU 60 8.979 1.670 5.265 1201 3HD2 LEU 60 3HD2 LEU 60 8.159 0.090 5.351 1202 H ASP 61 H ASP 61 11.955 -3.211 7.871 1203 HA ASP 61 HA ASP 61 10.790 -5.610 7.473 1204 1HB ASP 61 1HB ASP 61 13.148 -5.325 7.509 1205 2HB ASP 61 2HB ASP 61 13.137 -4.981 9.246 1206 H SER 62 H SER 62 8.706 -5.037 8.610 1207 HA SER 62 HA SER 62 8.263 -5.569 11.322 1208 1HB SER 62 1HB SER 62 6.439 -6.065 8.929 1209 2HB SER 62 2HB SER 62 5.922 -5.931 10.619 1210 HG SER 62 HG SER 62 7.414 -3.849 9.345 1211 H ASP 63 H ASP 63 8.875 -7.808 8.667 1212 HA ASP 63 HA ASP 63 8.033 -10.203 10.082 1213 1HB ASP 63 1HB ASP 63 9.791 -9.682 7.644 1214 2HB ASP 63 2HB ASP 63 9.543 -11.293 8.326 1215 H GLY 64 H GLY 64 10.734 -8.057 10.517 1216 1HA GLY 64 1HA GLY 64 12.732 -8.249 11.587 1217 2HA GLY 64 2HA GLY 64 11.961 -9.513 12.558 1218 H ASP 65 H ASP 65 12.621 -9.530 9.019 1219 HA ASP 65 HA ASP 65 14.106 -12.102 9.381 1220 1HB ASP 65 1HB ASP 65 11.748 -12.205 8.528 1221 2HB ASP 65 2HB ASP 65 12.232 -11.190 7.154 1222 H GLY 66 H GLY 66 14.725 -8.950 8.817 1223 1HA GLY 66 1HA GLY 66 16.383 -7.830 7.758 1224 2HA GLY 66 2HA GLY 66 17.036 -9.340 7.102 1225 H GLU 67 H GLU 67 15.409 -10.383 5.511 1226 HA GLU 67 HA GLU 67 15.181 -8.628 3.236 1227 1HB GLU 67 1HB GLU 67 14.088 -10.508 2.107 1228 2HB GLU 67 2HB GLU 67 15.653 -10.910 2.812 1229 1HG GLU 67 1HG GLU 67 14.577 -12.086 4.685 1230 2HG GLU 67 2HG GLU 67 12.975 -11.632 4.093 1231 H CYS 68 H CYS 68 13.421 -7.447 2.528 1232 HA CYS 68 HA CYS 68 11.349 -7.027 4.609 1233 1HB CYS 68 1HB CYS 68 12.605 -5.364 2.508 1234 2HB CYS 68 2HB CYS 68 10.831 -5.199 2.567 1235 HG CYS 68 HG CYS 68 12.885 -5.087 5.135 1236 H ASP 69 H ASP 69 9.316 -7.811 4.492 1237 HA ASP 69 HA ASP 69 8.666 -9.569 2.305 1238 1HB ASP 69 1HB ASP 69 8.075 -10.022 4.666 1239 2HB ASP 69 2HB ASP 69 6.986 -8.617 4.662 1240 H PHE 70 H PHE 70 6.768 -9.420 0.973 1241 HA PHE 70 HA PHE 70 6.320 -7.078 -0.380 1242 1HB PHE 70 1HB PHE 70 5.453 -9.347 -1.007 1243 2HB PHE 70 2HB PHE 70 4.201 -9.175 0.221 1244 HD1 PHE 70 HD1 PHE 70 5.646 -7.068 -2.535 1245 HD2 PHE 70 HD2 PHE 70 2.077 -8.523 -0.650 1246 HE1 PHE 70 HE1 PHE 70 4.328 -6.252 -4.458 1247 HE2 PHE 70 HE2 PHE 70 0.731 -7.512 -2.461 1248 HZ PHE 70 HZ PHE 70 1.867 -6.395 -4.400 1249 H GLN 71 H GLN 71 4.681 -8.060 2.637 1250 HA GLN 71 HA GLN 71 2.831 -5.928 2.841 1251 1HB GLN 71 1HB GLN 71 4.374 -7.569 4.875 1252 2HB GLN 71 2HB GLN 71 3.232 -6.320 5.379 1253 1HG GLN 71 1HG GLN 71 2.428 -8.536 3.441 1254 2HG GLN 71 2HG GLN 71 2.350 -8.715 5.196 1255 1HE2 GLN 71 1HE2 GLN 71 0.521 -7.516 2.437 1256 2HE2 GLN 71 2HE2 GLN 71 -0.626 -6.631 3.433 1257 H GLU 72 H GLU 72 6.288 -5.983 4.013 1258 HA GLU 72 HA GLU 72 6.295 -3.358 5.095 1259 1HB GLU 72 1HB GLU 72 8.468 -5.134 3.846 1260 2HB GLU 72 2HB GLU 72 8.766 -3.549 4.524 1261 1HG GLU 72 1HG GLU 72 9.246 -4.953 6.147 1262 2HG GLU 72 2HG GLU 72 7.660 -4.359 6.688 1263 H PHE 73 H PHE 73 7.310 -4.605 1.979 1264 HA PHE 73 HA PHE 73 7.966 -2.183 0.660 1265 1HB PHE 73 1HB PHE 73 8.508 -4.085 -0.503 1266 2HB PHE 73 2HB PHE 73 6.965 -4.867 -0.222 1267 HD1 PHE 73 HD1 PHE 73 8.744 -2.386 -2.346 1268 HD2 PHE 73 HD2 PHE 73 5.065 -4.536 -1.701 1269 HE1 PHE 73 HE1 PHE 73 8.032 -1.908 -4.682 1270 HE2 PHE 73 HE2 PHE 73 4.313 -3.931 -3.985 1271 HZ PHE 73 HZ PHE 73 5.882 -2.781 -5.537 1272 H MET 74 H MET 74 4.715 -3.778 0.762 1273 HA MET 74 HA MET 74 3.425 -1.632 -0.585 1274 1HB MET 74 1HB MET 74 2.315 -3.851 1.166 1275 2HB MET 74 2HB MET 74 1.327 -2.609 0.400 1276 1HG MET 74 1HG MET 74 2.728 -3.345 -1.795 1277 2HG MET 74 2HG MET 74 2.858 -4.846 -0.876 1278 1HE MET 74 1HE MET 74 0.601 -2.260 -2.661 1279 2HE MET 74 2HE MET 74 -1.012 -2.993 -2.549 1280 3HE MET 74 3HE MET 74 -0.267 -2.261 -1.114 1281 H ALA 75 H ALA 75 4.073 -2.120 2.864 1282 HA ALA 75 HA ALA 75 2.485 0.087 3.775 1283 1HB ALA 75 1HB ALA 75 3.387 -1.647 5.281 1284 2HB ALA 75 2HB ALA 75 5.032 -1.035 5.012 1285 3HB ALA 75 3HB ALA 75 3.825 -0.009 5.804 1286 H PHE 76 H PHE 76 5.852 -0.141 2.615 1287 HA PHE 76 HA PHE 76 6.575 2.598 3.126 1288 1HB PHE 76 1HB PHE 76 8.242 0.930 2.794 1289 2HB PHE 76 2HB PHE 76 7.670 0.559 1.179 1290 HD1 PHE 76 HD1 PHE 76 9.533 3.024 3.271 1291 HD2 PHE 76 HD2 PHE 76 8.170 2.008 -0.714 1292 HE1 PHE 76 HE1 PHE 76 11.294 4.444 2.286 1293 HE2 PHE 76 HE2 PHE 76 9.880 3.509 -1.677 1294 HZ PHE 76 HZ PHE 76 11.449 4.724 -0.199 1295 H VAL 77 H VAL 77 5.458 0.868 0.185 1296 HA VAL 77 HA VAL 77 5.081 3.097 -1.507 1297 HB VAL 77 HB VAL 77 3.605 0.460 -1.294 1298 1HG1 VAL 77 1HG1 VAL 77 3.540 2.529 -3.550 1299 2HG1 VAL 77 2HG1 VAL 77 2.869 0.889 -3.653 1300 3HG1 VAL 77 3HG1 VAL 77 2.166 2.058 -2.536 1301 1HG2 VAL 77 1HG2 VAL 77 6.079 0.370 -1.899 1302 2HG2 VAL 77 2HG2 VAL 77 5.021 -0.199 -3.196 1303 3HG2 VAL 77 3HG2 VAL 77 5.734 1.425 -3.273 1304 H ALA 78 H ALA 78 2.886 1.728 1.017 1305 HA ALA 78 HA ALA 78 0.705 3.394 0.441 1306 1HB ALA 78 1HB ALA 78 -0.159 2.841 2.623 1307 2HB ALA 78 2HB ALA 78 0.553 1.396 1.891 1308 3HB ALA 78 3HB ALA 78 1.420 2.268 3.174 1309 H MET 79 H MET 79 3.339 3.959 2.896 1310 HA MET 79 HA MET 79 2.287 6.509 3.654 1311 1HB MET 79 1HB MET 79 4.507 7.094 4.487 1312 2HB MET 79 2HB MET 79 3.917 5.534 5.085 1313 1HG MET 79 1HG MET 79 5.439 4.386 3.582 1314 2HG MET 79 2HG MET 79 5.966 5.931 2.864 1315 1HE MET 79 1HE MET 79 7.276 4.422 6.984 1316 2HE MET 79 2HE MET 79 5.564 4.791 6.670 1317 3HE MET 79 3HE MET 79 6.364 3.451 5.804 1318 H ILE 80 H ILE 80 4.635 5.632 1.116 1319 HA ILE 80 HA ILE 80 5.283 8.227 0.212 1320 HB ILE 80 HB ILE 80 5.027 5.569 -1.242 1321 1HG1 ILE 80 1HG1 ILE 80 6.752 5.930 0.708 1322 2HG1 ILE 80 2HG1 ILE 80 7.199 5.100 -0.788 1323 1HG2 ILE 80 1HG2 ILE 80 6.227 8.160 -2.219 1324 2HG2 ILE 80 2HG2 ILE 80 6.520 6.566 -2.977 1325 3HG2 ILE 80 3HG2 ILE 80 4.895 7.237 -2.949 1326 1HD1 ILE 80 1HD1 ILE 80 7.831 7.992 -0.108 1327 2HD1 ILE 80 2HD1 ILE 80 8.942 6.596 -0.071 1328 3HD1 ILE 80 3HD1 ILE 80 8.303 7.160 -1.609 1329 H THR 81 H THR 81 2.761 5.990 -0.970 1330 HA THR 81 HA THR 81 1.672 7.676 -2.942 1331 HB THR 81 HB THR 81 0.370 5.435 -1.303 1332 HG1 THR 81 HG1 THR 81 2.166 4.719 -2.418 1333 1HG2 THR 81 1HG2 THR 81 -1.316 6.803 -2.556 1334 2HG2 THR 81 2HG2 THR 81 -0.443 6.474 -4.045 1335 3HG2 THR 81 3HG2 THR 81 -1.158 5.130 -3.153 1336 H THR 82 H THR 82 0.661 7.100 0.484 1337 HA THR 82 HA THR 82 -1.637 8.748 0.414 1338 HB THR 82 HB THR 82 0.124 8.049 2.801 1339 HG1 THR 82 HG1 THR 82 -0.575 6.198 1.864 1340 1HG2 THR 82 1HG2 THR 82 -1.986 8.322 4.079 1341 2HG2 THR 82 2HG2 THR 82 -1.489 9.852 3.345 1342 3HG2 THR 82 3HG2 THR 82 -2.806 8.904 2.618 1343 H ALA 83 H ALA 83 1.792 9.532 1.283 1344 HA ALA 83 HA ALA 83 1.247 12.299 1.860 1345 1HB ALA 83 1HB ALA 83 3.326 11.079 2.483 1346 2HB ALA 83 2HB ALA 83 3.792 11.015 0.778 1347 3HB ALA 83 3HB ALA 83 3.627 12.589 1.599 1348 H CYS 84 H CYS 84 2.216 10.565 -1.150 1349 HA CYS 84 HA CYS 84 2.357 12.873 -2.761 1350 1HB CYS 84 1HB CYS 84 3.352 10.741 -3.410 1351 2HB CYS 84 2HB CYS 84 1.726 10.057 -3.665 1352 HG CYS 84 HG CYS 84 0.985 12.003 -5.370 1353 H HIS 85 H HIS 85 -0.511 10.979 -1.745 1354 HA HIS 85 HA HIS 85 -2.341 12.032 -3.570 1355 1HB HIS 85 1HB HIS 85 -3.634 10.652 -2.438 1356 2HB HIS 85 2HB HIS 85 -2.371 10.363 -1.265 1357 HD1 HIS 85 HD1 HIS 85 -2.654 11.634 1.100 1358 HD2 HIS 85 HD2 HIS 85 -5.410 12.528 -1.896 1359 HE1 HIS 85 HE1 HIS 85 -4.529 12.971 2.246 1360 H GLU 86 H GLU 86 -0.823 13.508 -0.701 1361 HA GLU 86 HA GLU 86 -2.454 15.936 -0.852 1362 1HB GLU 86 1HB GLU 86 0.316 15.625 0.377 1363 2HB GLU 86 2HB GLU 86 -0.883 16.865 0.711 1364 1HG GLU 86 1HG GLU 86 -1.308 13.913 1.398 1365 2HG GLU 86 2HG GLU 86 -0.563 15.089 2.472 1366 H PHE 87 H PHE 87 0.789 14.880 -1.907 1367 HA PHE 87 HA PHE 87 1.518 17.253 -3.271 1368 1HB PHE 87 1HB PHE 87 2.911 15.156 -2.690 1369 2HB PHE 87 2HB PHE 87 2.372 14.557 -4.268 1370 HD1 PHE 87 HD1 PHE 87 3.751 15.064 -6.133 1371 HD2 PHE 87 HD2 PHE 87 3.889 17.644 -2.673 1372 HE1 PHE 87 HE1 PHE 87 5.662 16.302 -7.115 1373 HE2 PHE 87 HE2 PHE 87 5.868 18.787 -3.608 1374 HZ PHE 87 HZ PHE 87 6.712 18.171 -5.871 1375 H PHE 88 H PHE 88 -0.889 14.987 -4.202 1376 HA PHE 88 HA PHE 88 -1.025 15.402 -6.981 1377 1HB PHE 88 1HB PHE 88 -2.449 13.957 -5.401 1378 2HB PHE 88 2HB PHE 88 -3.415 15.405 -5.091 1379 HD1 PHE 88 HD1 PHE 88 -2.236 13.069 -7.761 1380 HD2 PHE 88 HD2 PHE 88 -5.082 16.126 -6.708 1381 HE1 PHE 88 HE1 PHE 88 -3.661 12.415 -9.695 1382 HE2 PHE 88 HE2 PHE 88 -6.503 15.471 -8.628 1383 HZ PHE 88 HZ PHE 88 -5.809 13.597 -10.113 1384 H GLU 89 H GLU 89 -1.913 17.512 -4.251 1385 HA GLU 89 HA GLU 89 -2.758 19.758 -6.006 1386 1HB GLU 89 1HB GLU 89 -2.282 19.538 -2.989 1387 2HB GLU 89 2HB GLU 89 -2.760 21.001 -3.851 1388 1HG GLU 89 1HG GLU 89 -4.754 20.089 -2.925 1389 2HG GLU 89 2HG GLU 89 -4.830 19.806 -4.668 1390 H HIS 90 H HIS 90 -0.734 19.262 -7.194 1391 HA HIS 90 HA HIS 90 1.806 19.273 -6.133 1392 1HB HIS 90 1HB HIS 90 1.119 18.438 -8.332 1393 2HB HIS 90 2HB HIS 90 1.049 20.096 -8.941 1394 HD1 HIS 90 HD1 HIS 90 3.563 21.430 -8.547 1395 HD2 HIS 90 HD2 HIS 90 3.421 17.234 -8.497 1396 HE1 HIS 90 HE1 HIS 90 5.978 20.606 -8.923 1397 H GLU 91 H GLU 91 1.790 20.986 -4.566 1398 HA GLU 91 HA GLU 91 2.622 22.833 -3.719 1399 1HB GLU 91 1HB GLU 91 4.319 22.831 -6.231 1400 2HB GLU 91 2HB GLU 91 4.701 23.486 -4.620 1401 1HG GLU 91 1HG GLU 91 4.644 21.197 -3.674 1402 2HG GLU 91 2HG GLU 91 4.333 20.533 -5.288 1403 1H LYS 62 H1 LYS 62 -30.686 -31.901 3.610 1404 2H LYS 62 H2 LYS 62 -29.163 -31.770 4.208 1405 3H LYS 62 H3 LYS 62 -29.799 -30.549 3.280 1406 HA LYS 62 HA LYS 62 -29.858 -29.792 5.458 1407 1HB LYS 62 1HB LYS 62 -32.613 -30.868 4.720 1408 2HB LYS 62 2HB LYS 62 -32.278 -29.610 5.926 1409 1HG LYS 62 1HG LYS 62 -31.201 -28.232 4.117 1410 2HG LYS 62 2HG LYS 62 -31.719 -29.433 2.924 1411 1HD LYS 62 1HD LYS 62 -33.564 -27.821 4.752 1412 2HD LYS 62 2HD LYS 62 -33.230 -27.478 3.049 1413 1HE LYS 62 1HE LYS 62 -34.168 -29.732 2.438 1414 2HE LYS 62 2HE LYS 62 -34.624 -29.970 4.138 1415 1HZ LYS 62 1HZ LYS 62 -35.572 -27.805 2.406 1416 2HZ LYS 62 2HZ LYS 62 -36.427 -29.138 2.857 1417 3HZ LYS 62 3HZ LYS 62 -35.985 -28.025 3.987 1418 H ARG 63 H ARG 63 -31.792 -32.826 5.409 1419 HA ARG 63 HA ARG 63 -31.047 -33.503 8.184 1420 1HB ARG 63 1HB ARG 63 -32.405 -35.159 6.006 1421 2HB ARG 63 2HB ARG 63 -32.245 -35.588 7.708 1422 1HG ARG 63 1HG ARG 63 -33.893 -33.319 6.502 1423 2HG ARG 63 2HG ARG 63 -34.485 -34.773 7.306 1424 1HD ARG 63 1HD ARG 63 -33.021 -32.428 8.578 1425 2HD ARG 63 2HD ARG 63 -34.712 -32.897 8.810 1426 HE ARG 63 HE ARG 63 -33.275 -35.142 9.561 1427 1HH1 ARG 63 2HH2 ARG 63 -33.462 -31.776 10.607 1428 2HH1 ARG 63 1HH2 ARG 63 -32.988 -32.106 12.250 1429 1HH2 ARG 63 2HH1 ARG 63 -32.642 -35.596 11.702 1430 2HH2 ARG 63 1HH1 ARG 63 -32.517 -34.324 12.884 1431 H LEU 64 H LEU 64 -28.812 -33.063 7.635 1432 HA LEU 64 HA LEU 64 -26.665 -33.663 7.234 1433 1HB LEU 64 1HB LEU 64 -27.550 -36.487 6.521 1434 2HB LEU 64 2HB LEU 64 -25.941 -35.934 6.981 1435 HG LEU 64 HG LEU 64 -28.369 -36.018 8.821 1436 1HD1 LEU 64 1HD1 LEU 64 -27.457 -38.233 8.245 1437 2HD1 LEU 64 2HD1 LEU 64 -25.834 -37.702 8.736 1438 3HD1 LEU 64 3HD1 LEU 64 -27.135 -37.820 9.939 1439 1HD2 LEU 64 1HD2 LEU 64 -26.896 -34.159 9.482 1440 2HD2 LEU 64 2HD2 LEU 64 -26.707 -35.504 10.612 1441 3HD2 LEU 64 3HD2 LEU 64 -25.471 -35.218 9.369 1442 H ARG 65 H ARG 65 -25.730 -35.343 5.043 1443 HA ARG 65 HA ARG 65 -25.208 -35.176 2.890 1444 1HB ARG 65 1HB ARG 65 -27.510 -35.893 2.483 1445 2HB ARG 65 2HB ARG 65 -28.066 -34.216 2.413 1446 1HG ARG 65 1HG ARG 65 -26.609 -33.785 0.468 1447 2HG ARG 65 2HG ARG 65 -25.972 -35.439 0.562 1448 1HD ARG 65 1HD ARG 65 -28.233 -36.339 0.148 1449 2HD ARG 65 2HD ARG 65 -28.887 -34.683 0.079 1450 HE ARG 65 HE ARG 65 -26.759 -34.849 -1.768 1451 1HH1 ARG 65 2HH2 ARG 65 -29.988 -36.199 -1.317 1452 2HH1 ARG 65 1HH2 ARG 65 -30.296 -36.428 -3.017 1453 1HH2 ARG 65 2HH1 ARG 65 -27.138 -35.135 -3.998 1454 2HH2 ARG 65 1HH1 ARG 65 -28.639 -35.808 -4.571 1455 H ARG 66 H ARG 66 -27.318 -32.367 3.256 1456 HA ARG 66 HA ARG 66 -27.003 -30.165 2.487 1457 1HB ARG 66 1HB ARG 66 -25.957 -29.042 4.433 1458 2HB ARG 66 2HB ARG 66 -27.148 -30.278 4.844 1459 1HG ARG 66 1HG ARG 66 -25.316 -31.889 5.376 1460 2HG ARG 66 2HG ARG 66 -24.120 -30.665 4.925 1461 1HD ARG 66 1HD ARG 66 -24.364 -30.761 7.328 1462 2HD ARG 66 2HD ARG 66 -24.968 -29.197 6.738 1463 HE ARG 66 HE ARG 66 -27.178 -30.954 6.847 1464 1HH1 ARG 66 1HH2 ARG 66 -24.883 -29.488 9.092 1465 2HH1 ARG 66 2HH2 ARG 66 -26.003 -29.431 10.426 1466 1HH2 ARG 66 2HH1 ARG 66 -28.677 -30.818 8.539 1467 2HH2 ARG 66 1HH1 ARG 66 -28.199 -30.236 10.116 1468 H SER 67 H SER 67 -25.480 -31.425 0.672 1469 HA SER 67 HA SER 67 -22.731 -30.734 0.802 1470 1HB SER 67 1HB SER 67 -24.260 -31.648 -1.652 1471 2HB SER 67 2HB SER 67 -22.587 -32.000 -1.181 1472 HG SER 67 HG SER 67 -23.793 -32.943 0.813 1473 H ALA 68 H ALA 68 -23.456 -28.329 1.221 1474 HA ALA 68 HA ALA 68 -22.770 -26.824 -1.193 1475 1HB ALA 68 1HB ALA 68 -24.707 -25.285 -0.972 1476 2HB ALA 68 2HB ALA 68 -25.251 -26.930 -1.345 1477 3HB ALA 68 3HB ALA 68 -25.379 -26.310 0.315 1478 H HIS 69 H HIS 69 -22.601 -24.407 -0.485 1479 HA HIS 69 HA HIS 69 -21.929 -24.030 2.366 1480 1HB HIS 69 1HB HIS 69 -20.125 -23.320 0.001 1481 2HB HIS 69 2HB HIS 69 -19.919 -22.702 1.640 1482 HD1 HIS 69 HD1 HIS 69 -20.694 -26.126 2.369 1483 HD2 HIS 69 HD2 HIS 69 -17.433 -24.064 0.678 1484 HE1 HIS 69 HE1 HIS 69 -18.639 -27.606 2.692 1485 H ALA 70 H ALA 70 -21.832 -21.630 2.769 1486 HA ALA 70 HA ALA 70 -24.065 -20.294 1.474 1487 1HB ALA 70 1HB ALA 70 -23.608 -20.120 3.896 1488 2HB ALA 70 2HB ALA 70 -22.079 -19.281 3.550 1489 3HB ALA 70 3HB ALA 70 -23.633 -18.538 3.103 1490 H ARG 71 H ARG 71 -22.773 -20.658 -0.661 1491 HA ARG 71 HA ARG 71 -20.461 -19.200 -1.192 1492 1HB ARG 71 1HB ARG 71 -21.155 -21.042 -2.565 1493 2HB ARG 71 2HB ARG 71 -22.603 -20.184 -3.105 1494 1HG ARG 71 1HG ARG 71 -20.723 -20.285 -4.759 1495 2HG ARG 71 2HG ARG 71 -21.340 -18.667 -4.438 1496 1HD ARG 71 1HD ARG 71 -18.840 -18.781 -4.625 1497 2HD ARG 71 2HD ARG 71 -19.418 -18.070 -3.136 1498 HE ARG 71 HE ARG 71 -18.528 -19.741 -1.888 1499 1HH1 ARG 71 2HH2 ARG 71 -18.541 -20.839 -5.243 1500 2HH1 ARG 71 1HH2 ARG 71 -17.304 -22.041 -4.993 1501 1HH2 ARG 71 2HH1 ARG 71 -16.959 -21.312 -1.537 1502 2HH2 ARG 71 1HH1 ARG 71 -16.464 -22.384 -2.818 1503 H LYS 72 H LYS 72 -23.859 -18.190 -1.981 1504 HA LYS 72 HA LYS 72 -23.182 -15.730 -3.105 1505 1HB LYS 72 1HB LYS 72 -25.464 -16.769 -3.045 1506 2HB LYS 72 2HB LYS 72 -25.623 -16.223 -1.361 1507 1HG LYS 72 1HG LYS 72 -25.345 -13.853 -2.120 1508 2HG LYS 72 2HG LYS 72 -25.048 -14.419 -3.761 1509 1HD LYS 72 1HD LYS 72 -27.292 -13.621 -3.665 1510 2HD LYS 72 2HD LYS 72 -27.348 -15.376 -3.861 1511 1HE LYS 72 1HE LYS 72 -29.045 -14.580 -2.277 1512 2HE LYS 72 2HE LYS 72 -27.885 -15.612 -1.431 1513 1HZ LYS 72 1HZ LYS 72 -26.872 -13.719 -0.520 1514 2HZ LYS 72 2HZ LYS 72 -27.726 -12.675 -1.477 1515 3HZ LYS 72 3HZ LYS 72 -28.488 -13.538 -0.292 1516 H GLU 73 H GLU 73 -23.210 -16.626 0.316 1517 HA GLU 73 HA GLU 73 -23.054 -13.858 1.244 1518 1HB GLU 73 1HB GLU 73 -22.629 -16.414 2.822 1519 2HB GLU 73 2HB GLU 73 -22.992 -14.799 3.440 1520 1HG GLU 73 1HG GLU 73 -24.873 -16.590 1.829 1521 2HG GLU 73 2HG GLU 73 -25.018 -16.123 3.523 1522 H THR 74 H THR 74 -20.710 -16.099 -0.013 1523 HA THR 74 HA THR 74 -18.512 -14.582 1.309 1524 HB THR 74 HB THR 74 -17.347 -16.749 1.171 1525 HG1 THR 74 HG1 THR 74 -19.933 -17.851 0.766 1526 1HG2 THR 74 1HG2 THR 74 -19.868 -16.847 2.886 1527 2HG2 THR 74 2HG2 THR 74 -18.363 -17.740 3.170 1528 3HG2 THR 74 3HG2 THR 74 -18.380 -15.973 3.297 1529 H GLU 75 H GLU 75 -19.953 -15.384 -1.686 1530 HA GLU 75 HA GLU 75 -17.992 -16.155 -3.339 1531 1HB GLU 75 1HB GLU 75 -19.249 -15.103 -5.183 1532 2HB GLU 75 2HB GLU 75 -20.277 -15.952 -4.028 1533 1HG GLU 75 1HG GLU 75 -20.784 -13.691 -2.948 1534 2HG GLU 75 2HG GLU 75 -19.956 -12.939 -4.330 1535 H PHE 76 H PHE 76 -18.603 -12.765 -2.571 1536 HA PHE 76 HA PHE 76 -16.567 -11.587 -4.147 1537 1HB PHE 76 1HB PHE 76 -16.830 -9.809 -2.108 1538 2HB PHE 76 2HB PHE 76 -17.902 -9.941 -3.490 1539 HD1 PHE 76 HD1 PHE 76 -20.192 -10.649 -3.272 1540 HD2 PHE 76 HD2 PHE 76 -17.484 -11.044 0.069 1541 HE1 PHE 76 HE1 PHE 76 -22.042 -11.459 -1.865 1542 HE2 PHE 76 HE2 PHE 76 -19.346 -11.870 1.470 1543 HZ PHE 76 HZ PHE 76 -21.641 -12.050 0.511 1544 H LEU 77 H LEU 77 -16.316 -13.228 -1.027 1545 HA LEU 77 HA LEU 77 -13.479 -12.347 -0.742 1546 1HB LEU 77 1HB LEU 77 -15.452 -13.647 1.141 1547 2HB LEU 77 2HB LEU 77 -13.725 -13.565 1.498 1548 HG LEU 77 HG LEU 77 -15.301 -11.046 0.837 1549 1HD1 LEU 77 1HD1 LEU 77 -16.408 -12.138 2.745 1550 2HD1 LEU 77 2HD1 LEU 77 -14.843 -12.308 3.572 1551 3HD1 LEU 77 3HD1 LEU 77 -15.523 -10.695 3.271 1552 1HD2 LEU 77 1HD2 LEU 77 -12.821 -10.836 0.758 1553 2HD2 LEU 77 2HD2 LEU 77 -13.485 -9.964 2.142 1554 3HD2 LEU 77 3HD2 LEU 77 -12.709 -11.537 2.384 1555 H ARG 78 H ARG 78 -15.098 -14.680 -2.463 1556 HA ARG 78 HA ARG 78 -13.975 -17.094 -1.668 1557 1HB ARG 78 1HB ARG 78 -15.748 -16.879 -3.323 1558 2HB ARG 78 2HB ARG 78 -14.578 -16.257 -4.504 1559 1HG ARG 78 1HG ARG 78 -13.311 -18.375 -4.383 1560 2HG ARG 78 2HG ARG 78 -14.408 -18.991 -3.127 1561 1HD ARG 78 1HD ARG 78 -16.289 -18.880 -4.717 1562 2HD ARG 78 2HD ARG 78 -15.200 -18.138 -5.919 1563 HE ARG 78 HE ARG 78 -14.135 -20.638 -5.007 1564 1HH1 ARG 78 1HH1 ARG 78 -16.643 -19.312 -7.099 1565 2HH1 ARG 78 2HH1 ARG 78 -16.691 -20.685 -8.172 1566 1HH2 ARG 78 2HH2 ARG 78 -14.162 -22.442 -6.401 1567 2HH2 ARG 78 1HH2 ARG 78 -15.249 -22.506 -7.759 1568 H LEU 79 H LEU 79 -12.485 -14.569 -3.786 1569 HA LEU 79 HA LEU 79 -10.180 -16.007 -4.458 1570 1HB LEU 79 1HB LEU 79 -9.109 -14.020 -4.963 1571 2HB LEU 79 2HB LEU 79 -10.803 -13.750 -5.352 1572 HG LEU 79 HG LEU 79 -9.368 -12.697 -2.850 1573 1HD1 LEU 79 1HD1 LEU 79 -8.472 -11.720 -4.907 1574 2HD1 LEU 79 2HD1 LEU 79 -10.112 -11.238 -5.381 1575 3HD1 LEU 79 3HD1 LEU 79 -9.369 -10.542 -3.932 1576 1HD2 LEU 79 1HD2 LEU 79 -11.348 -11.191 -2.675 1577 2HD2 LEU 79 2HD2 LEU 79 -12.112 -12.050 -4.027 1578 3HD2 LEU 79 3HD2 LEU 79 -11.832 -12.872 -2.490 1579 H LYS 80 H LYS 80 -10.898 -14.246 -1.449 1580 HA LYS 80 HA LYS 80 -8.195 -14.437 -0.439 1581 1HB LYS 80 1HB LYS 80 -9.775 -12.539 -0.066 1582 2HB LYS 80 2HB LYS 80 -10.744 -13.575 0.996 1583 1HG LYS 80 1HG LYS 80 -8.914 -13.782 2.561 1584 2HG LYS 80 2HG LYS 80 -7.762 -13.063 1.416 1585 1HD LYS 80 1HD LYS 80 -9.043 -10.913 1.516 1586 2HD LYS 80 2HD LYS 80 -10.117 -11.636 2.732 1587 1HE LYS 80 1HE LYS 80 -8.145 -12.008 4.222 1588 2HE LYS 80 2HE LYS 80 -7.089 -11.272 2.999 1589 1HZ LYS 80 1HZ LYS 80 -7.710 -9.731 4.705 1590 2HZ LYS 80 2HZ LYS 80 -8.306 -9.234 3.256 1591 3HZ LYS 80 3HZ LYS 80 -9.309 -9.922 4.367 1592 H ARG 81 H ARG 81 -11.282 -16.136 -0.005 1593 HA ARG 81 HA ARG 81 -10.417 -17.964 2.051 1594 1HB ARG 81 1HB ARG 81 -12.746 -17.663 1.531 1595 2HB ARG 81 2HB ARG 81 -12.497 -18.117 -0.159 1596 1HG ARG 81 1HG ARG 81 -12.108 -20.424 0.404 1597 2HG ARG 81 2HG ARG 81 -12.005 -20.047 2.135 1598 1HD ARG 81 1HD ARG 81 -14.193 -21.066 1.480 1599 2HD ARG 81 2HD ARG 81 -14.337 -19.465 2.234 1600 HE ARG 81 HE ARG 81 -14.216 -19.353 -0.671 1601 1HH1 ARG 81 1HH1 ARG 81 -16.460 -19.988 2.016 1602 2HH1 ARG 81 2HH1 ARG 81 -17.782 -19.120 1.238 1603 1HH2 ARG 81 2HH2 ARG 81 -16.056 -18.302 -1.666 1604 2HH2 ARG 81 1HH2 ARG 81 -17.552 -18.195 -0.753 1605 H THR 82 H THR 82 -10.503 -18.268 -1.539 1606 HA THR 82 HA THR 82 -9.383 -20.857 -1.637 1607 HB THR 82 HB THR 82 -9.226 -18.700 -3.788 1608 HG1 THR 82 HG1 THR 82 -11.341 -18.972 -3.170 1609 1HG2 THR 82 1HG2 THR 82 -7.850 -20.731 -4.274 1610 2HG2 THR 82 2HG2 THR 82 -9.271 -21.751 -3.965 1611 3HG2 THR 82 3HG2 THR 82 -9.267 -20.624 -5.335 1612 H ARG 83 H ARG 83 -7.853 -17.646 -1.774 1613 HA ARG 83 HA ARG 83 -5.213 -18.282 -2.292 1614 1HB ARG 83 1HB ARG 83 -5.864 -16.076 -2.251 1615 2HB ARG 83 2HB ARG 83 -6.586 -16.150 -0.673 1616 1HG ARG 83 1HG ARG 83 -3.576 -16.340 -1.211 1617 2HG ARG 83 2HG ARG 83 -4.475 -14.865 -0.880 1618 1HD ARG 83 1HD ARG 83 -3.752 -17.011 1.086 1619 2HD ARG 83 2HD ARG 83 -3.537 -15.271 1.131 1620 HE ARG 83 HE ARG 83 -6.322 -16.337 1.176 1621 1HH1 ARG 83 2HH1 ARG 83 -3.656 -15.158 3.192 1622 2HH1 ARG 83 1HH1 ARG 83 -4.726 -14.555 4.428 1623 1HH2 ARG 83 2HH2 ARG 83 -7.630 -15.735 2.737 1624 2HH2 ARG 83 1HH2 ARG 83 -7.067 -14.971 4.221 1625 H LEU 84 H LEU 84 -6.971 -18.998 0.746 1626 HA LEU 84 HA LEU 84 -4.632 -19.326 2.363 1627 1HB LEU 84 1HB LEU 84 -7.327 -20.742 2.460 1628 2HB LEU 84 2HB LEU 84 -6.110 -20.838 3.729 1629 HG LEU 84 HG LEU 84 -7.358 -18.203 2.839 1630 1HD1 LEU 84 1HD1 LEU 84 -9.093 -19.711 3.727 1631 2HD1 LEU 84 2HD1 LEU 84 -8.110 -20.002 5.179 1632 3HD1 LEU 84 3HD1 LEU 84 -8.763 -18.381 4.850 1633 1HD2 LEU 84 1HD2 LEU 84 -5.201 -17.924 3.999 1634 2HD2 LEU 84 2HD2 LEU 84 -6.514 -17.452 5.082 1635 3HD2 LEU 84 3HD2 LEU 84 -5.722 -19.024 5.291 1636 H GLY 85 H GLY 85 -6.042 -21.346 -0.167 1637 1HA GLY 85 1HA GLY 85 -4.877 -23.850 0.362 1638 2HA GLY 85 2HA GLY 85 -5.197 -23.156 -1.236 1639 H LEU 86 H LEU 86 -3.325 -20.809 -0.762 1640 HA LEU 86 HA LEU 86 -0.849 -22.282 -1.498 1641 1HB LEU 86 1HB LEU 86 -1.641 -19.353 -1.732 1642 2HB LEU 86 2HB LEU 86 -0.071 -20.013 -2.171 1643 HG LEU 86 HG LEU 86 -1.257 -19.728 -4.154 1644 1HD1 LEU 86 1HD1 LEU 86 -1.426 -22.716 -3.642 1645 2HD1 LEU 86 2HD1 LEU 86 -1.169 -21.875 -5.179 1646 3HD1 LEU 86 3HD1 LEU 86 0.090 -21.830 -3.930 1647 1HD2 LEU 86 1HD2 LEU 86 -3.579 -19.747 -3.173 1648 2HD2 LEU 86 2HD2 LEU 86 -3.396 -20.561 -4.737 1649 3HD2 LEU 86 3HD2 LEU 86 -3.539 -21.521 -3.257 1650 H GLU 87 H GLU 87 -2.130 -21.303 1.423 1651 HA GLU 87 HA GLU 87 0.507 -20.383 2.493 1652 1HB GLU 87 1HB GLU 87 -2.278 -20.275 3.705 1653 2HB GLU 87 2HB GLU 87 -0.775 -19.709 4.452 1654 1HG GLU 87 1HG GLU 87 -0.447 -18.125 2.526 1655 2HG GLU 87 2HG GLU 87 -2.015 -18.627 1.876 1656 1H LYS 62 H1 LYS 62 32.489 16.208 20.339 1657 2H LYS 62 H2 LYS 62 33.231 17.600 19.886 1658 3H LYS 62 H3 LYS 62 33.738 16.808 21.243 1659 HA LYS 62 HA LYS 62 35.260 16.460 19.451 1660 1HB LYS 62 1HB LYS 62 33.617 13.955 20.006 1661 2HB LYS 62 2HB LYS 62 35.297 13.998 19.467 1662 1HG LYS 62 1HG LYS 62 34.235 14.949 22.165 1663 2HG LYS 62 2HG LYS 62 35.138 13.470 21.833 1664 1HD LYS 62 1HD LYS 62 37.069 14.876 21.007 1665 2HD LYS 62 2HD LYS 62 36.209 16.322 21.567 1666 1HE LYS 62 1HE LYS 62 37.075 13.962 23.306 1667 2HE LYS 62 2HE LYS 62 37.873 15.539 23.215 1668 1HZ LYS 62 1HZ LYS 62 36.442 15.409 25.093 1669 2HZ LYS 62 2HZ LYS 62 35.863 16.538 24.042 1670 3HZ LYS 62 3HZ LYS 62 35.133 15.062 24.156 1671 H ARG 63 H ARG 63 35.613 15.194 17.391 1672 HA ARG 63 HA ARG 63 33.573 15.910 15.426 1673 1HB ARG 63 1HB ARG 63 36.410 14.942 15.389 1674 2HB ARG 63 2HB ARG 63 35.453 14.535 13.984 1675 1HG ARG 63 1HG ARG 63 35.461 17.396 14.964 1676 2HG ARG 63 2HG ARG 63 36.817 16.752 14.038 1677 1HD ARG 63 1HD ARG 63 35.294 17.865 12.538 1678 2HD ARG 63 2HD ARG 63 35.358 16.157 12.149 1679 HE ARG 63 HE ARG 63 33.122 17.726 13.287 1680 1HH1 ARG 63 2HH2 ARG 63 34.189 14.473 12.235 1681 2HH1 ARG 63 1HH2 ARG 63 32.634 13.765 12.639 1682 1HH2 ARG 63 2HH1 ARG 63 31.075 16.695 13.641 1683 2HH2 ARG 63 1HH1 ARG 63 30.973 14.964 13.395 1684 H LEU 64 H LEU 64 31.819 14.586 16.219 1685 HA LEU 64 HA LEU 64 32.194 11.638 16.169 1686 1HB LEU 64 1HB LEU 64 29.685 13.259 16.701 1687 2HB LEU 64 2HB LEU 64 29.903 11.531 16.964 1688 HG LEU 64 HG LEU 64 31.376 13.742 18.472 1689 1HD1 LEU 64 1HD1 LEU 64 29.146 11.863 19.344 1690 2HD1 LEU 64 2HD1 LEU 64 29.981 13.050 20.367 1691 3HD1 LEU 64 3HD1 LEU 64 28.973 13.601 19.019 1692 1HD2 LEU 64 1HD2 LEU 64 31.416 10.709 18.805 1693 2HD2 LEU 64 2HD2 LEU 64 32.791 11.748 18.362 1694 3HD2 LEU 64 3HD2 LEU 64 32.079 11.867 19.974 1695 H ARG 65 H ARG 65 30.301 10.442 14.975 1696 HA ARG 65 HA ARG 65 30.631 11.166 12.169 1697 1HB ARG 65 1HB ARG 65 29.023 8.920 13.433 1698 2HB ARG 65 2HB ARG 65 29.474 9.074 11.732 1699 1HG ARG 65 1HG ARG 65 31.368 8.581 14.081 1700 2HG ARG 65 2HG ARG 65 30.887 7.464 12.809 1701 1HD ARG 65 1HD ARG 65 32.982 8.125 12.102 1702 2HD ARG 65 2HD ARG 65 31.920 9.175 11.143 1703 HE ARG 65 HE ARG 65 32.678 10.435 13.627 1704 1HH1 ARG 65 2HH1 ARG 65 34.002 9.556 10.482 1705 2HH1 ARG 65 1HH1 ARG 65 35.306 10.710 10.540 1706 1HH2 ARG 65 2HH2 ARG 65 34.419 11.944 13.758 1707 2HH2 ARG 65 1HH2 ARG 65 35.547 12.064 12.436 1708 H ARG 66 H ARG 66 29.478 13.311 12.892 1709 HA ARG 66 HA ARG 66 26.567 13.253 12.993 1710 1HB ARG 66 1HB ARG 66 28.609 15.511 12.791 1711 2HB ARG 66 2HB ARG 66 26.867 15.754 12.927 1712 1HG ARG 66 1HG ARG 66 26.844 14.415 15.031 1713 2HG ARG 66 2HG ARG 66 28.614 14.384 14.992 1714 1HD ARG 66 1HD ARG 66 26.960 16.955 14.924 1715 2HD ARG 66 2HD ARG 66 27.477 16.221 16.427 1716 HE ARG 66 HE ARG 66 29.087 17.726 14.523 1717 1HH1 ARG 66 1HH2 ARG 66 29.206 15.355 17.178 1718 2HH1 ARG 66 2HH2 ARG 66 30.837 15.828 17.649 1719 1HH2 ARG 66 2HH1 ARG 66 31.237 18.335 15.284 1720 2HH2 ARG 66 1HH1 ARG 66 31.956 17.364 16.561 1721 H SER 67 H SER 67 27.395 11.890 10.739 1722 HA SER 67 HA SER 67 25.748 13.177 8.746 1723 1HB SER 67 1HB SER 67 28.648 12.564 8.001 1724 2HB SER 67 2HB SER 67 27.368 13.105 6.905 1725 HG SER 67 HG SER 67 27.439 14.863 8.864 1726 H ALA 68 H ALA 68 25.723 10.830 10.479 1727 HA ALA 68 HA ALA 68 26.533 8.487 9.051 1728 1HB ALA 68 1HB ALA 68 26.232 8.593 11.507 1729 2HB ALA 68 2HB ALA 68 24.485 8.835 11.285 1730 3HB ALA 68 3HB ALA 68 25.246 7.306 10.795 1731 H HIS 69 H HIS 69 24.813 6.718 8.614 1732 HA HIS 69 HA HIS 69 23.407 7.273 6.322 1733 1HB HIS 69 1HB HIS 69 22.518 5.165 8.315 1734 2HB HIS 69 2HB HIS 69 22.378 5.126 6.555 1735 HD1 HIS 69 HD1 HIS 69 25.187 5.398 5.445 1736 HD2 HIS 69 HD2 HIS 69 24.435 3.732 9.245 1737 HE1 HIS 69 HE1 HIS 69 27.310 4.193 6.153 1738 H ALA 70 H ALA 70 22.106 7.228 9.637 1739 HA ALA 70 HA ALA 70 19.407 7.804 9.128 1740 1HB ALA 70 1HB ALA 70 19.351 8.568 11.467 1741 2HB ALA 70 2HB ALA 70 20.289 7.070 11.305 1742 3HB ALA 70 3HB ALA 70 21.126 8.629 11.503 1743 H ARG 71 H ARG 71 22.173 9.964 8.924 1744 HA ARG 71 HA ARG 71 20.479 12.407 8.821 1745 1HB ARG 71 1HB ARG 71 23.474 12.152 8.411 1746 2HB ARG 71 2HB ARG 71 22.543 13.617 8.688 1747 1HG ARG 71 1HG ARG 71 23.024 11.393 10.734 1748 2HG ARG 71 2HG ARG 71 23.873 12.935 10.640 1749 1HD ARG 71 1HD ARG 71 22.231 13.110 12.387 1750 2HD ARG 71 2HD ARG 71 21.733 14.143 11.029 1751 HE ARG 71 HE ARG 71 20.637 11.458 10.917 1752 1HH1 ARG 71 1HH2 ARG 71 20.085 14.503 12.573 1753 2HH1 ARG 71 2HH2 ARG 71 18.354 14.475 12.357 1754 1HH2 ARG 71 2HH1 ARG 71 18.451 11.481 10.416 1755 2HH2 ARG 71 1HH1 ARG 71 17.383 12.634 11.186 1756 H LYS 72 H LYS 72 22.756 10.512 6.807 1757 HA LYS 72 HA LYS 72 22.487 11.881 4.388 1758 1HB LYS 72 1HB LYS 72 22.729 8.873 4.768 1759 2HB LYS 72 2HB LYS 72 23.023 9.758 3.268 1760 1HG LYS 72 1HG LYS 72 24.851 11.046 4.400 1761 2HG LYS 72 2HG LYS 72 24.636 10.038 5.838 1762 1HD LYS 72 1HD LYS 72 24.944 8.005 4.297 1763 2HD LYS 72 2HD LYS 72 25.481 9.143 3.055 1764 1HE LYS 72 1HE LYS 72 26.765 8.598 5.772 1765 2HE LYS 72 2HE LYS 72 27.419 8.207 4.174 1766 1HZ LYS 72 1HZ LYS 72 28.446 10.139 4.996 1767 2HZ LYS 72 2HZ LYS 72 27.471 10.607 3.750 1768 3HZ LYS 72 3HZ LYS 72 27.009 10.869 5.320 1769 H GLU 73 H GLU 73 20.266 9.532 5.823 1770 HA GLU 73 HA GLU 73 18.413 8.915 3.956 1771 1HB GLU 73 1HB GLU 73 18.156 9.882 6.809 1772 2HB GLU 73 2HB GLU 73 16.692 9.549 5.894 1773 1HG GLU 73 1HG GLU 73 18.867 7.442 5.982 1774 2HG GLU 73 2HG GLU 73 17.746 7.649 7.336 1775 H THR 74 H THR 74 18.785 12.200 5.385 1776 HA THR 74 HA THR 74 16.379 13.279 4.446 1777 HB THR 74 HB THR 74 17.979 14.332 6.059 1778 HG1 THR 74 HG1 THR 74 17.181 16.013 3.930 1779 1HG2 THR 74 1HG2 THR 74 19.732 15.792 5.258 1780 2HG2 THR 74 2HG2 THR 74 20.060 14.179 4.602 1781 3HG2 THR 74 3HG2 THR 74 19.362 15.423 3.565 1782 H GLU 75 H GLU 75 19.365 12.628 2.577 1783 HA GLU 75 HA GLU 75 18.742 14.399 0.413 1784 1HB GLU 75 1HB GLU 75 20.358 11.822 0.454 1785 2HB GLU 75 2HB GLU 75 20.345 12.998 -0.867 1786 1HG GLU 75 1HG GLU 75 21.280 13.564 1.997 1787 2HG GLU 75 2HG GLU 75 22.315 13.299 0.595 1788 H PHE 76 H PHE 76 17.292 11.381 1.306 1789 HA PHE 76 HA PHE 76 15.793 11.375 -1.292 1790 1HB PHE 76 1HB PHE 76 15.596 9.020 0.493 1791 2HB PHE 76 2HB PHE 76 15.706 9.122 -1.251 1792 HD1 PHE 76 HD1 PHE 76 17.499 8.587 1.855 1793 HD2 PHE 76 HD2 PHE 76 18.036 9.621 -2.293 1794 HE1 PHE 76 HE1 PHE 76 19.963 8.620 2.169 1795 HE2 PHE 76 HE2 PHE 76 20.492 9.581 -1.980 1796 HZ PHE 76 HZ PHE 76 21.458 9.036 0.245 1797 H LEU 77 H LEU 77 15.449 10.889 2.261 1798 HA LEU 77 HA LEU 77 12.599 10.925 2.176 1799 1HB LEU 77 1HB LEU 77 14.606 11.114 4.440 1800 2HB LEU 77 2HB LEU 77 12.877 11.339 4.699 1801 HG LEU 77 HG LEU 77 12.436 9.122 3.592 1802 1HD1 LEU 77 1HD1 LEU 77 14.407 8.667 2.349 1803 2HD1 LEU 77 2HD1 LEU 77 15.440 8.829 3.789 1804 3HD1 LEU 77 3HD1 LEU 77 14.309 7.467 3.633 1805 1HD2 LEU 77 1HD2 LEU 77 12.376 9.428 6.027 1806 2HD2 LEU 77 2HD2 LEU 77 12.991 7.828 5.596 1807 3HD2 LEU 77 3HD2 LEU 77 14.121 9.099 6.121 1808 H ARG 78 H ARG 78 14.842 13.648 2.153 1809 HA ARG 78 HA ARG 78 13.148 15.706 3.116 1810 1HB ARG 78 1HB ARG 78 15.415 16.061 2.475 1811 2HB ARG 78 2HB ARG 78 15.030 15.782 0.753 1812 1HG ARG 78 1HG ARG 78 13.524 17.741 0.812 1813 2HG ARG 78 2HG ARG 78 13.774 17.916 2.554 1814 1HD ARG 78 1HD ARG 78 15.867 18.304 0.361 1815 2HD ARG 78 2HD ARG 78 15.028 19.509 1.334 1816 HE ARG 78 HE ARG 78 16.334 19.115 3.167 1817 1HH1 ARG 78 1HH2 ARG 78 17.210 16.720 0.689 1818 2HH1 ARG 78 2HH2 ARG 78 18.837 16.522 1.294 1819 1HH2 ARG 78 2HH1 ARG 78 18.397 18.723 4.017 1820 2HH2 ARG 78 1HH1 ARG 78 19.487 17.626 3.212 1821 H LEU 79 H LEU 79 12.998 13.784 0.084 1822 HA LEU 79 HA LEU 79 10.961 15.455 -1.097 1823 1HB LEU 79 1HB LEU 79 11.752 12.581 -1.651 1824 2HB LEU 79 2HB LEU 79 10.635 13.527 -2.637 1825 HG LEU 79 HG LEU 79 13.483 14.490 -2.075 1826 1HD1 LEU 79 1HD1 LEU 79 13.641 12.317 -3.139 1827 2HD1 LEU 79 2HD1 LEU 79 12.525 12.847 -4.433 1828 3HD1 LEU 79 3HD1 LEU 79 14.121 13.602 -4.256 1829 1HD2 LEU 79 1HD2 LEU 79 11.444 15.179 -4.244 1830 2HD2 LEU 79 2HD2 LEU 79 11.942 16.242 -2.908 1831 3HD2 LEU 79 3HD2 LEU 79 13.106 15.795 -4.156 1832 H LYS 80 H LYS 80 10.836 12.501 0.973 1833 HA LYS 80 HA LYS 80 7.980 12.219 1.017 1834 1HB LYS 80 1HB LYS 80 9.988 11.651 3.241 1835 2HB LYS 80 2HB LYS 80 8.265 11.323 3.294 1836 1HG LYS 80 1HG LYS 80 8.501 9.801 1.327 1837 2HG LYS 80 2HG LYS 80 10.264 10.037 1.423 1838 1HD LYS 80 1HD LYS 80 10.186 9.261 3.825 1839 2HD LYS 80 2HD LYS 80 8.445 9.039 3.692 1840 1HE LYS 80 1HE LYS 80 9.679 6.907 3.531 1841 2HE LYS 80 2HE LYS 80 8.685 7.239 2.115 1842 1HZ LYS 80 1HZ LYS 80 11.593 7.662 2.328 1843 2HZ LYS 80 2HZ LYS 80 10.846 6.440 1.516 1844 3HZ LYS 80 3HZ LYS 80 10.680 7.989 0.993 1845 H ARG 81 H ARG 81 10.225 14.051 3.147 1846 HA ARG 81 HA ARG 81 8.241 15.233 4.772 1847 1HB ARG 81 1HB ARG 81 10.977 16.324 3.997 1848 2HB ARG 81 2HB ARG 81 9.922 16.979 5.262 1849 1HG ARG 81 1HG ARG 81 9.911 14.727 6.369 1850 2HG ARG 81 2HG ARG 81 11.126 14.173 5.215 1851 1HD ARG 81 1HD ARG 81 11.478 16.501 7.174 1852 2HD ARG 81 2HD ARG 81 12.037 14.859 7.418 1853 HE ARG 81 HE ARG 81 13.736 15.074 5.891 1854 1HH1 ARG 81 1HH1 ARG 81 11.762 18.004 5.777 1855 2HH1 ARG 81 2HH1 ARG 81 13.044 19.008 5.158 1856 1HH2 ARG 81 1HH2 ARG 81 15.449 16.397 5.103 1857 2HH2 ARG 81 2HH2 ARG 81 15.104 18.039 4.652 1858 H THR 82 H THR 82 9.544 16.344 1.621 1859 HA THR 82 HA THR 82 8.072 18.779 1.559 1860 HB THR 82 HB THR 82 8.950 17.083 -0.815 1861 HG1 THR 82 HG1 THR 82 10.660 17.630 0.616 1862 1HG2 THR 82 1HG2 THR 82 9.016 19.256 -1.984 1863 2HG2 THR 82 2HG2 THR 82 7.370 18.884 -1.448 1864 3HG2 THR 82 3HG2 THR 82 8.354 20.062 -0.549 1865 H ARG 83 H ARG 83 7.192 15.532 0.115 1866 HA ARG 83 HA ARG 83 4.651 16.575 -0.732 1867 1HB ARG 83 1HB ARG 83 3.959 14.205 -1.031 1868 2HB ARG 83 2HB ARG 83 5.362 14.757 -1.965 1869 1HG ARG 83 1HG ARG 83 6.856 13.537 -0.510 1870 2HG ARG 83 2HG ARG 83 5.541 13.109 0.585 1871 1HD ARG 83 1HD ARG 83 5.957 11.182 -0.817 1872 2HD ARG 83 2HD ARG 83 4.458 11.912 -1.374 1873 HE ARG 83 HE ARG 83 5.393 12.397 -3.392 1874 1HH1 ARG 83 1HH1 ARG 83 8.053 11.755 -1.142 1875 2HH1 ARG 83 2HH1 ARG 83 9.240 11.574 -2.417 1876 1HH2 ARG 83 2HH2 ARG 83 6.980 12.165 -5.036 1877 2HH2 ARG 83 1HH2 ARG 83 8.652 11.879 -4.597 1878 H LEU 84 H LEU 84 5.595 14.971 2.314 1879 HA LEU 84 HA LEU 84 2.910 14.837 3.389 1880 1HB LEU 84 1HB LEU 84 5.666 15.098 4.663 1881 2HB LEU 84 2HB LEU 84 4.194 14.907 5.611 1882 HG LEU 84 HG LEU 84 5.029 12.869 3.510 1883 1HD1 LEU 84 1HD1 LEU 84 5.660 12.896 6.490 1884 2HD1 LEU 84 2HD1 LEU 84 5.958 11.546 5.374 1885 3HD1 LEU 84 3HD1 LEU 84 6.834 13.071 5.168 1886 1HD2 LEU 84 1HD2 LEU 84 2.649 12.756 4.243 1887 2HD2 LEU 84 2HD2 LEU 84 3.563 11.380 4.879 1888 3HD2 LEU 84 3HD2 LEU 84 3.169 12.744 5.939 1889 H GLY 85 H GLY 85 5.465 17.317 3.339 1890 1HA GLY 85 1HA GLY 85 4.589 19.109 5.202 1891 2HA GLY 85 2HA GLY 85 5.486 19.532 3.733 1892 H LEU 86 H LEU 86 3.247 18.654 1.929 1893 HA LEU 86 HA LEU 86 1.861 21.149 1.782 1894 1HB LEU 86 1HB LEU 86 0.902 18.504 0.632 1895 2HB LEU 86 2HB LEU 86 0.430 20.135 0.164 1896 HG LEU 86 HG LEU 86 2.861 18.545 -0.544 1897 1HD1 LEU 86 1HD1 LEU 86 2.377 19.485 -2.739 1898 2HD1 LEU 86 2HD1 LEU 86 0.854 18.933 -2.002 1899 3HD1 LEU 86 3HD1 LEU 86 1.250 20.657 -2.032 1900 1HD2 LEU 86 1HD2 LEU 86 2.914 21.604 -0.424 1901 2HD2 LEU 86 2HD2 LEU 86 4.016 20.501 0.435 1902 3HD2 LEU 86 3HD2 LEU 86 4.064 20.593 -1.321 1903 H GLU 87 H GLU 87 1.105 18.104 3.453 1904 HA GLU 87 HA GLU 87 -0.765 17.327 4.472 1905 1HB GLU 87 1HB GLU 87 -0.789 20.157 5.602 1906 2HB GLU 87 2HB GLU 87 -1.534 18.720 6.326 1907 1HG GLU 87 1HG GLU 87 0.746 17.646 6.425 1908 2HG GLU 87 2HG GLU 87 1.449 19.170 5.862 Start of MODEL 4 1 1H SER 1 1H SER 1 9.835 3.052 -14.345 2 2H SER 1 2H SER 1 10.614 3.912 -13.180 3 3H SER 1 3H SER 1 9.676 2.623 -12.753 4 HA SER 1 HA SER 1 8.611 4.651 -12.219 5 1HB SER 1 1HB SER 1 8.874 5.197 -15.194 6 2HB SER 1 2HB SER 1 7.919 6.186 -14.058 7 HG SER 1 HG SER 1 9.796 6.618 -12.901 8 H GLU 2 H GLU 2 8.119 1.816 -13.834 9 HA GLU 2 HA GLU 2 5.375 2.076 -14.637 10 1HB GLU 2 1HB GLU 2 6.856 0.175 -15.243 11 2HB GLU 2 2HB GLU 2 6.815 -0.392 -13.562 12 1HG GLU 2 1HG GLU 2 4.368 -0.707 -13.709 13 2HG GLU 2 2HG GLU 2 4.349 0.013 -15.328 14 H LEU 3 H LEU 3 6.978 1.276 -11.520 15 HA LEU 3 HA LEU 3 4.551 0.953 -10.002 16 1HB LEU 3 1HB LEU 3 7.246 1.943 -9.039 17 2HB LEU 3 2HB LEU 3 5.887 1.376 -8.047 18 HG LEU 3 HG LEU 3 7.575 -0.288 -9.966 19 1HD1 LEU 3 1HD1 LEU 3 8.011 -1.584 -7.931 20 2HD1 LEU 3 2HD1 LEU 3 8.518 0.111 -7.720 21 3HD1 LEU 3 3HD1 LEU 3 7.012 -0.469 -6.976 22 1HD2 LEU 3 1HD2 LEU 3 4.998 -1.014 -8.558 23 2HD2 LEU 3 2HD2 LEU 3 5.338 -1.130 -10.302 24 3HD2 LEU 3 3HD2 LEU 3 6.143 -2.221 -9.174 25 H GLU 4 H GLU 4 6.528 3.870 -10.759 26 HA GLU 4 HA GLU 4 4.957 5.689 -9.235 27 1HB GLU 4 1HB GLU 4 6.573 6.183 -11.758 28 2HB GLU 4 2HB GLU 4 5.906 7.431 -10.703 29 1HG GLU 4 1HG GLU 4 7.212 6.603 -8.795 30 2HG GLU 4 2HG GLU 4 7.856 5.283 -9.762 31 H LYS 5 H LYS 5 4.586 4.462 -12.566 32 HA LYS 5 HA LYS 5 2.448 6.148 -13.383 33 1HB LYS 5 1HB LYS 5 3.915 4.654 -14.799 34 2HB LYS 5 2HB LYS 5 2.921 3.286 -14.303 35 1HG LYS 5 1HG LYS 5 1.971 5.767 -15.808 36 2HG LYS 5 2HG LYS 5 2.342 4.186 -16.497 37 1HD LYS 5 1HD LYS 5 0.495 3.229 -14.942 38 2HD LYS 5 2HD LYS 5 0.040 4.918 -14.651 39 1HE LYS 5 1HE LYS 5 -1.385 4.084 -16.359 40 2HE LYS 5 2HE LYS 5 -0.277 5.250 -17.102 41 1HZ LYS 5 1HZ LYS 5 -0.002 2.320 -17.170 42 2HZ LYS 5 2HZ LYS 5 -0.548 3.262 -18.405 43 3HZ LYS 5 3HZ LYS 5 1.013 3.393 -17.902 44 H ALA 6 H ALA 6 2.462 2.809 -12.086 45 HA ALA 6 HA ALA 6 -0.290 2.379 -11.742 46 1HB ALA 6 1HB ALA 6 0.504 0.828 -9.881 47 2HB ALA 6 2HB ALA 6 1.330 0.612 -11.447 48 3HB ALA 6 3HB ALA 6 2.131 1.479 -10.128 49 H VAL 7 H VAL 7 2.037 3.787 -9.415 50 HA VAL 7 HA VAL 7 0.249 4.351 -7.327 51 HB VAL 7 HB VAL 7 2.922 5.429 -8.223 52 1HG1 VAL 7 1HG1 VAL 7 1.371 6.424 -5.837 53 2HG1 VAL 7 2HG1 VAL 7 3.118 6.595 -6.059 54 3HG1 VAL 7 3HG1 VAL 7 2.001 7.382 -7.192 55 1HG2 VAL 7 1HG2 VAL 7 2.706 3.147 -7.175 56 2HG2 VAL 7 2HG2 VAL 7 3.683 4.265 -6.207 57 3HG2 VAL 7 3HG2 VAL 7 2.005 3.908 -5.745 58 H VAL 8 H VAL 8 1.268 6.667 -9.985 59 HA VAL 8 HA VAL 8 -0.564 8.632 -8.986 60 HB VAL 8 HB VAL 8 -0.314 9.854 -11.022 61 1HG1 VAL 8 1HG1 VAL 8 1.376 10.041 -9.250 62 2HG1 VAL 8 2HG1 VAL 8 2.340 8.759 -10.014 63 3HG1 VAL 8 3HG1 VAL 8 2.081 10.297 -10.855 64 1HG2 VAL 8 1HG2 VAL 8 1.377 7.582 -12.084 65 2HG2 VAL 8 2HG2 VAL 8 -0.228 8.031 -12.699 66 3HG2 VAL 8 3HG2 VAL 8 1.131 9.155 -12.851 67 H ALA 9 H ALA 9 -1.007 5.941 -11.295 68 HA ALA 9 HA ALA 9 -3.618 6.671 -12.146 69 1HB ALA 9 1HB ALA 9 -2.527 3.853 -11.761 70 2HB ALA 9 2HB ALA 9 -3.923 4.338 -12.732 71 3HB ALA 9 3HB ALA 9 -2.296 4.870 -13.197 72 H LEU 10 H LEU 10 -2.585 4.664 -9.310 73 HA LEU 10 HA LEU 10 -5.179 4.188 -8.251 74 1HB LEU 10 1HB LEU 10 -2.384 4.290 -7.097 75 2HB LEU 10 2HB LEU 10 -3.748 4.395 -5.990 76 HG LEU 10 HG LEU 10 -4.683 2.281 -6.916 77 1HD1 LEU 10 1HD1 LEU 10 -1.924 1.948 -8.168 78 2HD1 LEU 10 2HD1 LEU 10 -3.252 0.779 -8.186 79 3HD1 LEU 10 3HD1 LEU 10 -3.393 2.281 -9.117 80 1HD2 LEU 10 1HD2 LEU 10 -3.414 2.335 -4.822 81 2HD2 LEU 10 2HD2 LEU 10 -3.040 0.856 -5.723 82 3HD2 LEU 10 3HD2 LEU 10 -1.889 2.205 -5.730 83 H ILE 11 H ILE 11 -2.892 6.870 -7.585 84 HA ILE 11 HA ILE 11 -4.547 8.261 -5.748 85 HB ILE 11 HB ILE 11 -2.343 9.168 -7.617 86 1HG1 ILE 11 1HG1 ILE 11 -2.485 8.690 -4.602 87 2HG1 ILE 11 2HG1 ILE 11 -1.802 7.563 -5.767 88 1HG2 ILE 11 1HG2 ILE 11 -2.226 11.269 -6.315 89 2HG2 ILE 11 2HG2 ILE 11 -3.734 11.134 -7.188 90 3HG2 ILE 11 3HG2 ILE 11 -3.698 10.800 -5.438 91 1HD1 ILE 11 1HD1 ILE 11 0.013 8.723 -4.756 92 2HD1 ILE 11 2HD1 ILE 11 -0.117 9.316 -6.423 93 3HD1 ILE 11 3HD1 ILE 11 -0.701 10.306 -5.061 94 H ASP 12 H ASP 12 -4.277 8.707 -9.303 95 HA ASP 12 HA ASP 12 -6.149 10.843 -9.392 96 1HB ASP 12 1HB ASP 12 -4.419 10.376 -11.106 97 2HB ASP 12 2HB ASP 12 -5.325 8.947 -11.626 98 H VAL 13 H VAL 13 -6.556 7.347 -10.158 99 HA VAL 13 HA VAL 13 -9.325 7.446 -10.814 100 HB VAL 13 HB VAL 13 -7.584 5.258 -9.615 101 1HG1 VAL 13 1HG1 VAL 13 -10.417 5.043 -10.707 102 2HG1 VAL 13 2HG1 VAL 13 -9.357 3.668 -10.355 103 3HG1 VAL 13 3HG1 VAL 13 -9.910 4.708 -9.036 104 1HG2 VAL 13 1HG2 VAL 13 -7.055 6.042 -11.977 105 2HG2 VAL 13 2HG2 VAL 13 -7.598 4.359 -11.903 106 3HG2 VAL 13 3HG2 VAL 13 -8.713 5.634 -12.436 107 H PHE 14 H PHE 14 -7.653 6.877 -7.647 108 HA PHE 14 HA PHE 14 -10.003 6.685 -6.101 109 1HB PHE 14 1HB PHE 14 -7.777 6.181 -5.223 110 2HB PHE 14 2HB PHE 14 -7.325 7.882 -5.321 111 HD1 PHE 14 HD1 PHE 14 -8.955 5.349 -3.300 112 HD2 PHE 14 HD2 PHE 14 -8.727 9.610 -3.956 113 HE1 PHE 14 HE1 PHE 14 -9.777 5.785 -0.986 114 HE2 PHE 14 HE2 PHE 14 -9.831 9.983 -1.825 115 HZ PHE 14 HZ PHE 14 -10.066 8.109 -0.181 116 H HIS 15 H HIS 15 -8.089 9.673 -6.932 117 HA HIS 15 HA HIS 15 -9.687 11.503 -5.531 118 1HB HIS 15 1HB HIS 15 -8.197 11.861 -8.163 119 2HB HIS 15 2HB HIS 15 -8.998 13.166 -7.301 120 HD1 HIS 15 HD1 HIS 15 -8.016 12.708 -4.353 121 HD2 HIS 15 HD2 HIS 15 -5.710 12.650 -7.870 122 HE1 HIS 15 HE1 HIS 15 -5.654 13.415 -3.699 123 H GLN 16 H GLN 16 -10.088 10.386 -8.944 124 HA GLN 16 HA GLN 16 -12.421 11.887 -9.515 125 1HB GLN 16 1HB GLN 16 -11.598 9.108 -10.472 126 2HB GLN 16 2HB GLN 16 -12.975 10.018 -11.103 127 1HG GLN 16 1HG GLN 16 -11.453 11.829 -11.829 128 2HG GLN 16 2HG GLN 16 -10.064 10.913 -11.225 129 1HE2 GLN 16 1HE2 GLN 16 -8.975 9.988 -13.002 130 2HE2 GLN 16 2HE2 GLN 16 -9.819 9.243 -14.348 131 H TYR 17 H TYR 17 -12.193 8.556 -8.119 132 HA TYR 17 HA TYR 17 -15.043 8.256 -8.019 133 1HB TYR 17 1HB TYR 17 -12.751 6.737 -6.782 134 2HB TYR 17 2HB TYR 17 -14.423 6.367 -6.386 135 HD1 TYR 17 HD1 TYR 17 -12.693 7.145 -9.700 136 HD2 TYR 17 HD2 TYR 17 -15.199 4.449 -7.443 137 HE1 TYR 17 HE1 TYR 17 -12.671 5.568 -11.574 138 HE2 TYR 17 HE2 TYR 17 -15.217 2.899 -9.387 139 HH TYR 17 HH TYR 17 -13.055 3.168 -12.082 140 H SER 18 H SER 18 -12.695 8.867 -5.411 141 HA SER 18 HA SER 18 -14.520 9.224 -3.262 142 1HB SER 18 1HB SER 18 -12.631 10.201 -2.131 143 2HB SER 18 2HB SER 18 -12.099 8.813 -3.068 144 HG SER 18 HG SER 18 -11.364 10.240 -4.669 145 H GLY 19 H GLY 19 -13.444 11.519 -5.776 146 1HA GLY 19 1HA GLY 19 -14.440 13.896 -4.618 147 2HA GLY 19 2HA GLY 19 -14.196 13.562 -6.342 148 H ARG 20 H ARG 20 -16.119 11.213 -6.335 149 HA ARG 20 HA ARG 20 -18.333 12.838 -7.143 150 1HB ARG 20 1HB ARG 20 -18.521 9.856 -6.711 151 2HB ARG 20 2HB ARG 20 -19.431 10.896 -7.808 152 1HG ARG 20 1HG ARG 20 -16.904 11.342 -8.766 153 2HG ARG 20 2HG ARG 20 -16.683 9.755 -8.048 154 1HD ARG 20 1HD ARG 20 -18.770 8.961 -9.309 155 2HD ARG 20 2HD ARG 20 -18.675 10.477 -10.201 156 HE ARG 20 HE ARG 20 -16.799 9.756 -11.338 157 1HH1 ARG 20 1HH1 ARG 20 -17.464 7.464 -8.706 158 2HH1 ARG 20 2HH1 ARG 20 -16.480 6.201 -9.391 159 1HH2 ARG 20 1HH2 ARG 20 -15.398 8.154 -12.138 160 2HH2 ARG 20 2HH2 ARG 20 -15.225 6.630 -11.312 161 H GLU 21 H GLU 21 -17.868 10.648 -4.334 162 HA GLU 21 HA GLU 21 -19.887 12.193 -2.861 163 1HB GLU 21 1HB GLU 21 -20.137 9.178 -3.038 164 2HB GLU 21 2HB GLU 21 -21.062 10.269 -2.012 165 1HG GLU 21 1HG GLU 21 -22.009 11.365 -4.039 166 2HG GLU 21 2HG GLU 21 -21.080 10.259 -5.066 167 H GLY 22 H GLY 22 -18.657 12.946 -1.329 168 1HA GLY 22 1HA GLY 22 -17.864 12.249 0.948 169 2HA GLY 22 2HA GLY 22 -16.662 11.250 0.102 170 H ASP 23 H ASP 23 -14.831 12.286 -0.734 171 HA ASP 23 HA ASP 23 -14.857 14.930 -1.737 172 1HB ASP 23 1HB ASP 23 -14.721 15.664 0.628 173 2HB ASP 23 2HB ASP 23 -13.396 14.528 0.926 174 H LYS 24 H LYS 24 -12.491 15.390 -2.521 175 HA LYS 24 HA LYS 24 -11.657 13.122 -3.904 176 1HB LYS 24 1HB LYS 24 -9.970 14.477 -4.865 177 2HB LYS 24 2HB LYS 24 -11.430 15.439 -4.615 178 1HG LYS 24 1HG LYS 24 -10.210 16.120 -2.334 179 2HG LYS 24 2HG LYS 24 -8.767 15.585 -3.200 180 1HD LYS 24 1HD LYS 24 -10.763 17.749 -4.026 181 2HD LYS 24 2HD LYS 24 -9.120 18.021 -3.451 182 1HE LYS 24 1HE LYS 24 -9.861 16.643 -6.084 183 2HE LYS 24 2HE LYS 24 -9.331 18.317 -5.896 184 1HZ LYS 24 1HZ LYS 24 -7.257 17.535 -5.040 185 2HZ LYS 24 2HZ LYS 24 -7.730 15.959 -5.230 186 3HZ LYS 24 3HZ LYS 24 -7.547 16.939 -6.547 187 H HIS 25 H HIS 25 -11.089 13.362 -0.646 188 HA HIS 25 HA HIS 25 -8.758 11.525 -0.843 189 1HB HIS 25 1HB HIS 25 -7.735 12.325 1.035 190 2HB HIS 25 2HB HIS 25 -8.027 13.703 -0.018 191 HD1 HIS 25 HD1 HIS 25 -10.367 15.233 0.911 192 HD2 HIS 25 HD2 HIS 25 -8.253 12.668 3.495 193 HE1 HIS 25 HE1 HIS 25 -11.041 15.860 3.272 194 H LYS 26 H LYS 26 -11.983 11.546 -0.306 195 HA LYS 26 HA LYS 26 -11.969 9.466 1.818 196 1HB LYS 26 1HB LYS 26 -13.585 12.040 1.725 197 2HB LYS 26 2HB LYS 26 -14.058 10.650 2.691 198 1HG LYS 26 1HG LYS 26 -11.405 12.086 3.052 199 2HG LYS 26 2HG LYS 26 -12.888 12.472 3.932 200 1HD LYS 26 1HD LYS 26 -12.980 10.042 4.700 201 2HD LYS 26 2HD LYS 26 -11.353 9.849 4.042 202 1HE LYS 26 1HE LYS 26 -12.198 11.817 6.214 203 2HE LYS 26 2HE LYS 26 -11.346 10.288 6.468 204 1HZ LYS 26 1HZ LYS 26 -9.832 12.091 6.480 205 2HZ LYS 26 2HZ LYS 26 -9.530 11.172 5.148 206 3HZ LYS 26 3HZ LYS 26 -10.315 12.614 4.997 207 H LEU 27 H LEU 27 -13.068 7.742 1.055 208 HA LEU 27 HA LEU 27 -14.944 7.965 -1.260 209 1HB LEU 27 1HB LEU 27 -13.655 5.633 0.205 210 2HB LEU 27 2HB LEU 27 -14.876 5.419 -1.045 211 HG LEU 27 HG LEU 27 -12.256 6.824 -1.594 212 1HD1 LEU 27 1HD1 LEU 27 -11.825 4.523 -0.721 213 2HD1 LEU 27 2HD1 LEU 27 -12.988 3.871 -1.892 214 3HD1 LEU 27 3HD1 LEU 27 -11.481 4.605 -2.464 215 1HD2 LEU 27 1HD2 LEU 27 -14.157 5.298 -3.442 216 2HD2 LEU 27 2HD2 LEU 27 -14.121 7.061 -3.292 217 3HD2 LEU 27 3HD2 LEU 27 -12.705 6.196 -3.918 218 H LYS 28 H LYS 28 -17.137 8.287 -0.658 219 HA LYS 28 HA LYS 28 -18.103 7.222 1.880 220 1HB LYS 28 1HB LYS 28 -18.939 9.258 0.779 221 2HB LYS 28 2HB LYS 28 -19.666 8.274 -0.503 222 1HG LYS 28 1HG LYS 28 -21.347 7.491 0.872 223 2HG LYS 28 2HG LYS 28 -20.353 7.567 2.355 224 1HD LYS 28 1HD LYS 28 -20.460 9.947 2.454 225 2HD LYS 28 2HD LYS 28 -21.346 10.041 0.912 226 1HE LYS 28 1HE LYS 28 -23.237 8.772 1.936 227 2HE LYS 28 2HE LYS 28 -22.349 8.699 3.473 228 1HZ LYS 28 1HZ LYS 28 -23.934 10.469 3.447 229 2HZ LYS 28 2HZ LYS 28 -22.408 11.082 3.548 230 3HZ LYS 28 3HZ LYS 28 -23.232 11.152 2.122 231 H LYS 29 H LYS 29 -20.020 5.594 1.816 232 HA LYS 29 HA LYS 29 -19.059 3.118 1.043 233 1HB LYS 29 1HB LYS 29 -21.262 2.240 1.586 234 2HB LYS 29 2HB LYS 29 -20.800 3.426 2.765 235 1HG LYS 29 1HG LYS 29 -22.219 5.123 1.337 236 2HG LYS 29 2HG LYS 29 -22.856 3.674 0.549 237 1HD LYS 29 1HD LYS 29 -23.094 4.497 3.468 238 2HD LYS 29 2HD LYS 29 -24.380 4.247 2.274 239 1HE LYS 29 1HE LYS 29 -23.554 1.783 2.189 240 2HE LYS 29 2HE LYS 29 -22.646 2.171 3.661 241 1HZ LYS 29 1HZ LYS 29 -24.744 1.251 4.205 242 2HZ LYS 29 2HZ LYS 29 -24.737 2.834 4.664 243 3HZ LYS 29 3HZ LYS 29 -25.552 2.365 3.301 244 H SER 30 H SER 30 -21.210 5.195 -0.858 245 HA SER 30 HA SER 30 -21.941 3.448 -2.932 246 1HB SER 30 1HB SER 30 -21.838 5.896 -4.083 247 2HB SER 30 2HB SER 30 -23.063 5.493 -2.868 248 HG SER 30 HG SER 30 -21.962 7.449 -2.372 249 H GLU 31 H GLU 31 -19.110 5.587 -2.414 250 HA GLU 31 HA GLU 31 -18.000 4.988 -5.047 251 1HB GLU 31 1HB GLU 31 -16.656 6.453 -2.746 252 2HB GLU 31 2HB GLU 31 -16.235 6.492 -4.470 253 1HG GLU 31 1HG GLU 31 -18.714 7.593 -3.135 254 2HG GLU 31 2HG GLU 31 -17.456 8.528 -3.938 255 H LEU 32 H LEU 32 -17.290 4.059 -1.662 256 HA LEU 32 HA LEU 32 -14.982 2.523 -2.225 257 1HB LEU 32 1HB LEU 32 -15.786 3.210 0.011 258 2HB LEU 32 2HB LEU 32 -17.121 2.050 -0.094 259 HG LEU 32 HG LEU 32 -15.151 1.426 1.328 260 1HD1 LEU 32 1HD1 LEU 32 -15.095 -0.897 0.759 261 2HD1 LEU 32 2HD1 LEU 32 -16.745 -0.280 0.550 262 3HD1 LEU 32 3HD1 LEU 32 -15.713 -0.599 -0.863 263 1HD2 LEU 32 1HD2 LEU 32 -13.114 0.572 0.370 264 2HD2 LEU 32 2HD2 LEU 32 -13.669 0.911 -1.275 265 3HD2 LEU 32 3HD2 LEU 32 -13.344 2.250 -0.143 266 H LYS 33 H LYS 33 -18.446 1.569 -2.134 267 HA LYS 33 HA LYS 33 -18.187 -1.103 -3.003 268 1HB LYS 33 1HB LYS 33 -20.248 -0.197 -2.201 269 2HB LYS 33 2HB LYS 33 -20.307 1.044 -3.415 270 1HG LYS 33 1HG LYS 33 -20.552 -0.885 -5.170 271 2HG LYS 33 2HG LYS 33 -20.630 -1.969 -3.782 272 1HD LYS 33 1HD LYS 33 -22.878 -1.647 -4.062 273 2HD LYS 33 2HD LYS 33 -22.590 -0.227 -3.053 274 1HE LYS 33 1HE LYS 33 -22.698 -0.320 -6.114 275 2HE LYS 33 2HE LYS 33 -23.954 0.313 -5.041 276 1HZ LYS 33 1HZ LYS 33 -22.615 2.047 -5.963 277 2HZ LYS 33 2HZ LYS 33 -22.428 1.993 -4.328 278 3HZ LYS 33 3HZ LYS 33 -21.243 1.417 -5.310 279 H GLU 34 H GLU 34 -18.802 1.848 -4.993 280 HA GLU 34 HA GLU 34 -18.897 0.403 -7.403 281 1HB GLU 34 1HB GLU 34 -19.885 2.605 -7.260 282 2HB GLU 34 2HB GLU 34 -18.371 3.333 -6.724 283 1HG GLU 34 1HG GLU 34 -18.925 3.981 -9.009 284 2HG GLU 34 2HG GLU 34 -17.380 3.148 -8.899 285 H LEU 35 H LEU 35 -16.228 2.120 -5.851 286 HA LEU 35 HA LEU 35 -14.129 1.804 -7.665 287 1HB LEU 35 1HB LEU 35 -14.073 3.150 -5.671 288 2HB LEU 35 2HB LEU 35 -14.256 1.744 -4.634 289 HG LEU 35 HG LEU 35 -12.028 2.736 -4.613 290 1HD1 LEU 35 1HD1 LEU 35 -10.719 0.779 -4.649 291 2HD1 LEU 35 2HD1 LEU 35 -12.347 0.251 -4.230 292 3HD1 LEU 35 3HD1 LEU 35 -11.706 -0.006 -5.874 293 1HD2 LEU 35 1HD2 LEU 35 -10.532 2.699 -6.506 294 2HD2 LEU 35 2HD2 LEU 35 -11.743 1.872 -7.506 295 3HD2 LEU 35 3HD2 LEU 35 -12.017 3.544 -6.968 296 H ILE 36 H ILE 36 -15.105 -0.545 -5.023 297 HA ILE 36 HA ILE 36 -13.153 -2.434 -5.939 298 HB ILE 36 HB ILE 36 -15.657 -2.910 -4.294 299 1HG1 ILE 36 1HG1 ILE 36 -12.718 -2.665 -3.479 300 2HG1 ILE 36 2HG1 ILE 36 -13.898 -1.364 -3.332 301 1HG2 ILE 36 1HG2 ILE 36 -13.263 -4.709 -4.929 302 2HG2 ILE 36 2HG2 ILE 36 -14.430 -5.066 -3.662 303 3HG2 ILE 36 3HG2 ILE 36 -14.959 -5.027 -5.337 304 1HD1 ILE 36 1HD1 ILE 36 -13.958 -3.994 -1.816 305 2HD1 ILE 36 2HD1 ILE 36 -13.704 -2.363 -1.190 306 3HD1 ILE 36 3HD1 ILE 36 -15.292 -2.818 -1.841 307 H ASN 37 H ASN 37 -16.673 -2.208 -6.600 308 HA ASN 37 HA ASN 37 -16.837 -4.619 -8.119 309 1HB ASN 37 1HB ASN 37 -18.531 -2.094 -8.282 310 2HB ASN 37 2HB ASN 37 -18.860 -3.571 -9.207 311 1HD2 ASN 37 2HD2 ASN 37 -18.484 -2.397 -5.842 312 2HD2 ASN 37 1HD2 ASN 37 -19.644 -3.523 -5.169 313 H ASN 38 H ASN 38 -16.032 -1.314 -9.132 314 HA ASN 38 HA ASN 38 -16.001 -1.925 -11.970 315 1HB ASN 38 1HB ASN 38 -16.715 0.197 -10.906 316 2HB ASN 38 2HB ASN 38 -15.033 0.527 -10.433 317 1HD2 ASN 38 1HD2 ASN 38 -17.153 1.758 -12.392 318 2HD2 ASN 38 2HD2 ASN 38 -16.192 2.007 -13.850 319 H GLU 39 H GLU 39 -13.498 -1.118 -9.493 320 HA GLU 39 HA GLU 39 -11.423 -1.424 -11.546 321 1HB GLU 39 1HB GLU 39 -11.269 -0.431 -8.698 322 2HB GLU 39 2HB GLU 39 -9.957 -0.477 -9.863 323 1HG GLU 39 1HG GLU 39 -12.534 1.095 -10.295 324 2HG GLU 39 2HG GLU 39 -11.030 1.776 -9.675 325 H LEU 40 H LEU 40 -12.737 -3.426 -9.016 326 HA LEU 40 HA LEU 40 -10.332 -5.211 -9.167 327 1HB LEU 40 1HB LEU 40 -12.040 -4.304 -6.927 328 2HB LEU 40 2HB LEU 40 -11.807 -6.034 -6.975 329 HG LEU 40 HG LEU 40 -9.353 -5.723 -6.947 330 1HD1 LEU 40 1HD1 LEU 40 -10.069 -2.773 -6.636 331 2HD1 LEU 40 2HD1 LEU 40 -8.471 -3.482 -6.318 332 3HD1 LEU 40 3HD1 LEU 40 -9.121 -3.500 -7.962 333 1HD2 LEU 40 1HD2 LEU 40 -9.290 -4.907 -4.590 334 2HD2 LEU 40 2HD2 LEU 40 -10.939 -4.289 -4.773 335 3HD2 LEU 40 3HD2 LEU 40 -10.632 -6.035 -4.861 336 H SER 41 H SER 41 -12.936 -4.980 -10.996 337 HA SER 41 HA SER 41 -14.760 -6.854 -10.496 338 1HB SER 41 1HB SER 41 -13.554 -6.557 -13.271 339 2HB SER 41 2HB SER 41 -15.250 -6.831 -12.825 340 HG SER 41 HG SER 41 -15.189 -4.730 -11.835 341 H HIS 42 H HIS 42 -11.591 -7.639 -11.982 342 HA HIS 42 HA HIS 42 -12.336 -10.454 -12.377 343 1HB HIS 42 1HB HIS 42 -9.657 -9.059 -12.716 344 2HB HIS 42 2HB HIS 42 -10.071 -10.691 -13.235 345 HD1 HIS 42 HD1 HIS 42 -10.877 -7.027 -14.148 346 HD2 HIS 42 HD2 HIS 42 -11.492 -10.972 -15.491 347 HE1 HIS 42 HE1 HIS 42 -11.871 -6.858 -16.492 348 H PHE 43 H PHE 43 -10.828 -8.508 -9.906 349 HA PHE 43 HA PHE 43 -9.510 -10.732 -8.513 350 1HB PHE 43 1HB PHE 43 -9.812 -7.760 -8.150 351 2HB PHE 43 2HB PHE 43 -9.551 -8.726 -6.717 352 HD1 PHE 43 HD1 PHE 43 -7.392 -8.164 -6.048 353 HD2 PHE 43 HD2 PHE 43 -8.083 -9.236 -10.168 354 HE1 PHE 43 HE1 PHE 43 -4.952 -8.277 -6.432 355 HE2 PHE 43 HE2 PHE 43 -5.643 -9.294 -10.557 356 HZ PHE 43 HZ PHE 43 -4.070 -8.830 -8.690 357 H LEU 44 H LEU 44 -12.239 -8.514 -7.711 358 HA LEU 44 HA LEU 44 -13.345 -10.631 -5.903 359 1HB LEU 44 1HB LEU 44 -13.103 -7.644 -5.603 360 2HB LEU 44 2HB LEU 44 -14.595 -8.416 -5.071 361 HG LEU 44 HG LEU 44 -13.349 -10.003 -3.672 362 1HD1 LEU 44 1HD1 LEU 44 -11.158 -10.077 -4.727 363 2HD1 LEU 44 2HD1 LEU 44 -10.924 -8.334 -4.471 364 3HD1 LEU 44 3HD1 LEU 44 -10.971 -9.447 -3.087 365 1HD2 LEU 44 1HD2 LEU 44 -12.741 -7.065 -3.112 366 2HD2 LEU 44 2HD2 LEU 44 -14.273 -7.887 -2.753 367 3HD2 LEU 44 3HD2 LEU 44 -12.794 -8.368 -1.905 368 H GLU 45 H GLU 45 -15.298 -11.322 -6.316 369 HA GLU 45 HA GLU 45 -16.763 -10.633 -8.696 370 1HB GLU 45 1HB GLU 45 -17.695 -12.002 -6.126 371 2HB GLU 45 2HB GLU 45 -18.573 -11.993 -7.655 372 1HG GLU 45 1HG GLU 45 -15.836 -13.269 -7.173 373 2HG GLU 45 2HG GLU 45 -17.376 -14.120 -7.315 374 H GLU 46 H GLU 46 -18.931 -9.622 -8.709 375 HA GLU 46 HA GLU 46 -18.880 -7.079 -7.521 376 1HB GLU 46 1HB GLU 46 -20.969 -6.691 -8.554 377 2HB GLU 46 2HB GLU 46 -20.051 -7.734 -9.648 378 1HG GLU 46 1HG GLU 46 -21.273 -9.711 -8.581 379 2HG GLU 46 2HG GLU 46 -22.203 -8.513 -7.674 380 H ILE 47 H ILE 47 -20.124 -6.153 -6.000 381 HA ILE 47 HA ILE 47 -20.494 -7.944 -3.646 382 HB ILE 47 HB ILE 47 -20.277 -4.925 -3.588 383 1HG1 ILE 47 1HG1 ILE 47 -18.052 -6.993 -3.246 384 2HG1 ILE 47 2HG1 ILE 47 -18.246 -5.932 -4.660 385 1HG2 ILE 47 1HG2 ILE 47 -19.891 -7.125 -1.495 386 2HG2 ILE 47 2HG2 ILE 47 -19.682 -5.396 -1.197 387 3HG2 ILE 47 3HG2 ILE 47 -21.278 -6.023 -1.588 388 1HD1 ILE 47 1HD1 ILE 47 -17.622 -5.015 -1.838 389 2HD1 ILE 47 2HD1 ILE 47 -16.619 -4.949 -3.284 390 3HD1 ILE 47 3HD1 ILE 47 -18.065 -3.934 -3.189 391 H LYS 48 H LYS 48 -22.067 -5.149 -5.132 392 HA LYS 48 HA LYS 48 -24.003 -4.172 -5.062 393 1HB LYS 48 1HB LYS 48 -25.962 -5.350 -5.610 394 2HB LYS 48 2HB LYS 48 -24.589 -6.041 -6.477 395 1HG LYS 48 1HG LYS 48 -24.560 -7.963 -4.942 396 2HG LYS 48 2HG LYS 48 -25.883 -7.239 -3.993 397 1HD LYS 48 1HD LYS 48 -27.332 -7.394 -6.055 398 2HD LYS 48 2HD LYS 48 -25.978 -8.202 -6.870 399 1HE LYS 48 1HE LYS 48 -27.351 -9.973 -6.026 400 2HE LYS 48 2HE LYS 48 -25.959 -9.880 -4.924 401 1HZ LYS 48 1HZ LYS 48 -27.320 -8.652 -3.407 402 2HZ LYS 48 2HZ LYS 48 -28.607 -8.708 -4.437 403 3HZ LYS 48 3HZ LYS 48 -28.024 -10.095 -3.764 404 H GLU 49 H GLU 49 -24.211 -6.667 -2.521 405 HA GLU 49 HA GLU 49 -26.368 -5.644 -1.117 406 1HB GLU 49 1HB GLU 49 -23.990 -7.271 -0.136 407 2HB GLU 49 2HB GLU 49 -25.518 -7.060 0.736 408 1HG GLU 49 1HG GLU 49 -26.735 -8.136 -1.154 409 2HG GLU 49 2HG GLU 49 -25.200 -8.379 -2.010 410 H GLN 50 H GLN 50 -26.253 -3.414 -0.695 411 HA GLN 50 HA GLN 50 -24.203 -1.832 -0.043 412 1HB GLN 50 1HB GLN 50 -26.603 -1.201 -0.453 413 2HB GLN 50 2HB GLN 50 -26.891 -1.434 1.285 414 1HG GLN 50 1HG GLN 50 -25.072 0.198 1.763 415 2HG GLN 50 2HG GLN 50 -24.830 0.466 0.027 416 1HE2 GLN 50 1HE2 GLN 50 -27.320 0.813 -1.036 417 2HE2 GLN 50 2HE2 GLN 50 -28.126 2.146 -0.229 418 H GLU 51 H GLU 51 -25.940 -3.806 2.379 419 HA GLU 51 HA GLU 51 -24.686 -2.761 4.695 420 1HB GLU 51 1HB GLU 51 -25.566 -5.652 4.237 421 2HB GLU 51 2HB GLU 51 -25.348 -4.827 5.785 422 1HG GLU 51 1HG GLU 51 -27.494 -4.238 3.694 423 2HG GLU 51 2HG GLU 51 -27.711 -4.928 5.300 424 H VAL 52 H VAL 52 -23.527 -5.191 2.344 425 HA VAL 52 HA VAL 52 -21.271 -5.978 3.991 426 HB VAL 52 HB VAL 52 -21.772 -6.347 1.001 427 1HG1 VAL 52 1HG1 VAL 52 -19.374 -6.551 1.525 428 2HG1 VAL 52 2HG1 VAL 52 -19.749 -7.671 2.855 429 3HG1 VAL 52 3HG1 VAL 52 -20.081 -8.129 1.171 430 1HG2 VAL 52 1HG2 VAL 52 -22.384 -8.664 1.641 431 2HG2 VAL 52 2HG2 VAL 52 -22.198 -8.246 3.355 432 3HG2 VAL 52 3HG2 VAL 52 -23.484 -7.498 2.389 433 H VAL 53 H VAL 53 -21.811 -3.675 1.283 434 HA VAL 53 HA VAL 53 -19.100 -2.933 1.069 435 HB VAL 53 HB VAL 53 -19.620 -1.444 -0.400 436 1HG1 VAL 53 1HG1 VAL 53 -20.818 -3.427 -1.106 437 2HG1 VAL 53 2HG1 VAL 53 -22.306 -2.835 -0.347 438 3HG1 VAL 53 3HG1 VAL 53 -21.619 -1.970 -1.698 439 1HG2 VAL 53 1HG2 VAL 53 -22.057 -0.468 1.109 440 2HG2 VAL 53 2HG2 VAL 53 -20.474 0.311 0.908 441 3HG2 VAL 53 3HG2 VAL 53 -21.562 0.118 -0.467 442 H ASP 54 H ASP 54 -21.742 -1.556 3.039 443 HA ASP 54 HA ASP 54 -20.316 0.399 4.443 444 1HB ASP 54 1HB ASP 54 -22.790 0.021 4.545 445 2HB ASP 54 2HB ASP 54 -22.518 -1.407 5.541 446 H LYS 55 H LYS 55 -20.770 -3.097 5.277 447 HA LYS 55 HA LYS 55 -19.344 -3.066 7.692 448 1HB LYS 55 1HB LYS 55 -20.793 -4.923 6.841 449 2HB LYS 55 2HB LYS 55 -19.533 -5.323 5.673 450 1HG LYS 55 1HG LYS 55 -17.974 -5.584 7.807 451 2HG LYS 55 2HG LYS 55 -19.494 -5.551 8.698 452 1HD LYS 55 1HD LYS 55 -18.997 -7.845 8.343 453 2HD LYS 55 2HD LYS 55 -20.276 -7.473 7.173 454 1HE LYS 55 1HE LYS 55 -18.516 -7.230 5.382 455 2HE LYS 55 2HE LYS 55 -17.263 -7.550 6.589 456 1HZ LYS 55 1HZ LYS 55 -18.223 -9.712 6.907 457 2HZ LYS 55 2HZ LYS 55 -19.396 -9.401 5.791 458 3HZ LYS 55 3HZ LYS 55 -17.817 -9.481 5.326 459 H VAL 56 H VAL 56 -18.094 -3.804 4.351 460 HA VAL 56 HA VAL 56 -15.434 -4.206 5.378 461 HB VAL 56 HB VAL 56 -14.593 -4.147 3.137 462 1HG1 VAL 56 1HG1 VAL 56 -17.146 -5.794 3.401 463 2HG1 VAL 56 2HG1 VAL 56 -15.777 -6.130 2.324 464 3HG1 VAL 56 3HG1 VAL 56 -15.560 -6.216 4.081 465 1HG2 VAL 56 1HG2 VAL 56 -16.021 -3.924 1.183 466 2HG2 VAL 56 2HG2 VAL 56 -17.415 -3.590 2.220 467 3HG2 VAL 56 3HG2 VAL 56 -16.081 -2.427 2.126 468 H MET 57 H MET 57 -17.072 -1.258 4.003 469 HA MET 57 HA MET 57 -14.711 0.285 4.133 470 1HB MET 57 1HB MET 57 -15.900 1.991 3.494 471 2HB MET 57 2HB MET 57 -17.210 0.845 3.247 472 1HG MET 57 1HG MET 57 -18.091 1.484 5.530 473 2HG MET 57 2HG MET 57 -16.771 2.657 5.666 474 1HE MET 57 1HE MET 57 -17.659 5.188 2.871 475 2HE MET 57 2HE MET 57 -16.336 4.446 3.786 476 3HE MET 57 3HE MET 57 -16.964 3.649 2.328 477 H GLU 58 H GLU 58 -17.201 -0.275 6.646 478 HA GLU 58 HA GLU 58 -16.130 1.223 8.779 479 1HB GLU 58 1HB GLU 58 -18.279 0.223 8.835 480 2HB GLU 58 2HB GLU 58 -17.633 -1.410 8.750 481 1HG GLU 58 1HG GLU 58 -16.898 0.514 11.006 482 2HG GLU 58 2HG GLU 58 -18.347 -0.487 11.001 483 H THR 59 H THR 59 -15.481 -2.151 7.855 484 HA THR 59 HA THR 59 -13.529 -2.789 9.747 485 HB THR 59 HB THR 59 -13.759 -3.733 6.855 486 HG1 THR 59 HG1 THR 59 -15.581 -4.095 8.152 487 1HG2 THR 59 1HG2 THR 59 -11.561 -4.355 7.549 488 2HG2 THR 59 2HG2 THR 59 -12.176 -4.956 9.115 489 3HG2 THR 59 3HG2 THR 59 -12.611 -5.770 7.593 490 H LEU 60 H LEU 60 -13.055 -0.992 6.657 491 HA LEU 60 HA LEU 60 -10.122 -0.921 7.098 492 1HB LEU 60 1HB LEU 60 -11.728 0.577 5.013 493 2HB LEU 60 2HB LEU 60 -10.003 0.243 5.021 494 HG LEU 60 HG LEU 60 -12.102 -1.938 4.769 495 1HD1 LEU 60 1HD1 LEU 60 -11.413 -1.953 2.391 496 2HD1 LEU 60 2HD1 LEU 60 -12.229 -0.460 2.870 497 3HD1 LEU 60 3HD1 LEU 60 -10.470 -0.464 2.679 498 1HD2 LEU 60 1HD2 LEU 60 -9.081 -1.934 4.586 499 2HD2 LEU 60 2HD2 LEU 60 -10.104 -2.748 5.788 500 3HD2 LEU 60 3HD2 LEU 60 -10.147 -3.287 4.105 501 H ASP 61 H ASP 61 -12.864 1.130 7.622 502 HA ASP 61 HA ASP 61 -11.687 3.659 7.478 503 1HB ASP 61 1HB ASP 61 -14.066 3.301 7.294 504 2HB ASP 61 2HB ASP 61 -14.145 2.730 8.969 505 H SER 62 H SER 62 -9.643 2.900 8.771 506 HA SER 62 HA SER 62 -9.474 3.064 11.537 507 1HB SER 62 1HB SER 62 -7.540 4.299 9.530 508 2HB SER 62 2HB SER 62 -7.181 3.779 11.188 509 HG SER 62 HG SER 62 -7.673 2.209 8.900 510 H ASP 63 H ASP 63 -10.153 5.661 9.244 511 HA ASP 63 HA ASP 63 -9.514 7.855 10.988 512 1HB ASP 63 1HB ASP 63 -11.457 7.783 8.639 513 2HB ASP 63 2HB ASP 63 -10.701 9.209 9.351 514 H GLY 64 H GLY 64 -12.175 5.592 11.003 515 1HA GLY 64 1HA GLY 64 -14.244 5.609 11.964 516 2HA GLY 64 2HA GLY 64 -13.552 6.715 13.162 517 H ASP 65 H ASP 65 -13.965 7.308 9.649 518 HA ASP 65 HA ASP 65 -15.617 9.729 10.277 519 1HB ASP 65 1HB ASP 65 -13.350 10.110 9.315 520 2HB ASP 65 2HB ASP 65 -13.783 9.100 7.923 521 H GLY 66 H GLY 66 -15.984 6.572 9.353 522 1HA GLY 66 1HA GLY 66 -17.625 5.458 8.260 523 2HA GLY 66 2HA GLY 66 -18.403 6.975 7.762 524 H GLU 67 H GLU 67 -16.868 8.323 6.314 525 HA GLU 67 HA GLU 67 -16.525 6.966 3.855 526 1HB GLU 67 1HB GLU 67 -15.273 9.625 4.558 527 2HB GLU 67 2HB GLU 67 -15.764 8.994 2.990 528 1HG GLU 67 1HG GLU 67 -18.161 9.001 3.772 529 2HG GLU 67 2HG GLU 67 -17.633 9.819 5.256 530 H CYS 68 H CYS 68 -14.670 6.012 2.981 531 HA CYS 68 HA CYS 68 -12.502 5.403 4.905 532 1HB CYS 68 1HB CYS 68 -13.507 4.215 2.325 533 2HB CYS 68 2HB CYS 68 -11.790 3.982 2.742 534 HG CYS 68 HG CYS 68 -14.315 3.505 4.795 535 H ASP 69 H ASP 69 -10.486 6.286 4.879 536 HA ASP 69 HA ASP 69 -9.997 8.483 3.029 537 1HB ASP 69 1HB ASP 69 -9.384 8.592 5.420 538 2HB ASP 69 2HB ASP 69 -8.208 7.276 5.185 539 H PHE 70 H PHE 70 -8.131 8.661 1.693 540 HA PHE 70 HA PHE 70 -7.549 6.607 -0.081 541 1HB PHE 70 1HB PHE 70 -6.898 8.937 -0.398 542 2HB PHE 70 2HB PHE 70 -5.701 8.812 0.878 543 HD1 PHE 70 HD1 PHE 70 -6.562 7.970 -2.567 544 HD2 PHE 70 HD2 PHE 70 -3.633 7.332 0.517 545 HE1 PHE 70 HE1 PHE 70 -5.191 6.659 -4.158 546 HE2 PHE 70 HE2 PHE 70 -2.320 5.943 -1.017 547 HZ PHE 70 HZ PHE 70 -3.108 5.576 -3.383 548 H GLN 71 H GLN 71 -5.837 7.288 3.003 549 HA GLN 71 HA GLN 71 -3.869 5.313 2.748 550 1HB GLN 71 1HB GLN 71 -3.857 7.038 4.480 551 2HB GLN 71 2HB GLN 71 -5.309 6.356 5.222 552 1HG GLN 71 1HG GLN 71 -3.316 5.773 6.488 553 2HG GLN 71 2HG GLN 71 -4.080 4.322 5.853 554 1HE2 GLN 71 1HE2 GLN 71 -3.058 3.281 3.912 555 2HE2 GLN 71 2HE2 GLN 71 -1.322 3.528 3.670 556 H GLU 72 H GLU 72 -7.280 4.976 3.767 557 HA GLU 72 HA GLU 72 -6.964 2.235 4.763 558 1HB GLU 72 1HB GLU 72 -9.542 3.691 4.087 559 2HB GLU 72 2HB GLU 72 -9.284 2.309 5.152 560 1HG GLU 72 1HG GLU 72 -8.607 5.197 5.653 561 2HG GLU 72 2HG GLU 72 -9.541 4.096 6.645 562 H PHE 73 H PHE 73 -8.199 3.827 1.849 563 HA PHE 73 HA PHE 73 -8.870 1.498 0.333 564 1HB PHE 73 1HB PHE 73 -9.496 3.450 -0.677 565 2HB PHE 73 2HB PHE 73 -8.029 4.305 -0.254 566 HD1 PHE 73 HD1 PHE 73 -9.548 1.971 -2.709 567 HD2 PHE 73 HD2 PHE 73 -6.082 4.347 -1.707 568 HE1 PHE 73 HE1 PHE 73 -8.804 1.926 -5.084 569 HE2 PHE 73 HE2 PHE 73 -5.302 4.174 -4.048 570 HZ PHE 73 HZ PHE 73 -6.722 3.084 -5.760 571 H MET 74 H MET 74 -5.717 3.247 0.552 572 HA MET 74 HA MET 74 -4.361 1.409 -1.063 573 1HB MET 74 1HB MET 74 -3.723 3.833 0.047 574 2HB MET 74 2HB MET 74 -2.702 2.760 1.010 575 1HG MET 74 1HG MET 74 -2.839 2.962 -2.036 576 2HG MET 74 2HG MET 74 -1.554 3.592 -1.002 577 1HE MET 74 1HE MET 74 0.223 0.814 -3.049 578 2HE MET 74 2HE MET 74 -1.108 1.854 -3.602 579 3HE MET 74 3HE MET 74 0.191 2.536 -2.598 580 H ALA 75 H ALA 75 -4.721 1.475 2.470 581 HA ALA 75 HA ALA 75 -3.123 -0.785 3.090 582 1HB ALA 75 1HB ALA 75 -4.049 0.736 4.794 583 2HB ALA 75 2HB ALA 75 -5.687 0.127 4.463 584 3HB ALA 75 3HB ALA 75 -4.457 -0.957 5.140 585 H PHE 76 H PHE 76 -6.563 -0.606 2.090 586 HA PHE 76 HA PHE 76 -7.093 -3.439 2.322 587 1HB PHE 76 1HB PHE 76 -8.949 -2.061 2.291 588 2HB PHE 76 2HB PHE 76 -8.405 -1.118 0.923 589 HD1 PHE 76 HD1 PHE 76 -10.135 -4.263 1.908 590 HD2 PHE 76 HD2 PHE 76 -8.756 -1.761 -1.338 591 HE1 PHE 76 HE1 PHE 76 -11.527 -5.540 0.305 592 HE2 PHE 76 HE2 PHE 76 -10.149 -3.032 -2.917 593 HZ PHE 76 HZ PHE 76 -11.507 -4.951 -2.126 594 H VAL 77 H VAL 77 -6.232 -1.357 -0.443 595 HA VAL 77 HA VAL 77 -5.972 -3.361 -2.396 596 HB VAL 77 HB VAL 77 -4.537 -0.726 -1.995 597 1HG1 VAL 77 1HG1 VAL 77 -4.563 -2.551 -4.457 598 2HG1 VAL 77 2HG1 VAL 77 -3.941 -0.890 -4.427 599 3HG1 VAL 77 3HG1 VAL 77 -3.139 -2.147 -3.485 600 1HG2 VAL 77 1HG2 VAL 77 -6.759 -1.539 -3.926 601 2HG2 VAL 77 2HG2 VAL 77 -7.013 -0.618 -2.438 602 3HG2 VAL 77 3HG2 VAL 77 -6.049 0.081 -3.743 603 H ALA 78 H ALA 78 -3.580 -2.262 0.077 604 HA ALA 78 HA ALA 78 -1.424 -3.798 -0.846 605 1HB ALA 78 1HB ALA 78 -1.270 -2.002 0.878 606 2HB ALA 78 2HB ALA 78 -2.039 -3.088 2.055 607 3HB ALA 78 3HB ALA 78 -0.463 -3.503 1.370 608 H MET 79 H MET 79 -3.848 -4.734 1.666 609 HA MET 79 HA MET 79 -2.663 -7.364 1.921 610 1HB MET 79 1HB MET 79 -4.824 -8.037 3.008 611 2HB MET 79 2HB MET 79 -3.834 -6.796 3.788 612 1HG MET 79 1HG MET 79 -5.358 -5.060 2.999 613 2HG MET 79 2HG MET 79 -6.395 -6.286 2.223 614 1HE MET 79 1HE MET 79 -8.275 -4.890 3.710 615 2HE MET 79 2HE MET 79 -8.238 -4.834 5.491 616 3HE MET 79 3HE MET 79 -7.006 -3.950 4.556 617 H ILE 80 H ILE 80 -5.351 -6.130 -0.072 618 HA ILE 80 HA ILE 80 -6.171 -8.591 -1.210 619 HB ILE 80 HB ILE 80 -6.056 -5.744 -2.250 620 1HG1 ILE 80 1HG1 ILE 80 -7.541 -6.410 -0.234 621 2HG1 ILE 80 2HG1 ILE 80 -8.238 -5.468 -1.556 622 1HG2 ILE 80 1HG2 ILE 80 -6.099 -7.039 -4.248 623 2HG2 ILE 80 2HG2 ILE 80 -7.343 -8.125 -3.596 624 3HG2 ILE 80 3HG2 ILE 80 -7.728 -6.432 -3.969 625 1HD1 ILE 80 1HD1 ILE 80 -9.703 -7.291 -0.704 626 2HD1 ILE 80 2HD1 ILE 80 -9.364 -7.436 -2.436 627 3HD1 ILE 80 3HD1 ILE 80 -8.512 -8.478 -1.267 628 H THR 81 H THR 81 -3.690 -6.290 -2.277 629 HA THR 81 HA THR 81 -2.746 -7.679 -4.558 630 HB THR 81 HB THR 81 -1.455 -5.640 -2.693 631 HG1 THR 81 HG1 THR 81 -3.212 -4.867 -3.760 632 1HG2 THR 81 1HG2 THR 81 0.407 -6.454 -3.733 633 2HG2 THR 81 2HG2 THR 81 -0.422 -6.836 -5.266 634 3HG2 THR 81 3HG2 THR 81 -0.071 -5.149 -4.824 635 H THR 82 H THR 82 -1.641 -7.735 -1.128 636 HA THR 82 HA THR 82 0.511 -9.530 -1.532 637 HB THR 82 HB THR 82 -1.208 -9.250 0.960 638 HG1 THR 82 HG1 THR 82 -0.337 -7.255 0.273 639 1HG2 THR 82 1HG2 THR 82 0.831 -9.955 2.134 640 2HG2 THR 82 2HG2 THR 82 0.348 -11.214 0.991 641 3HG2 THR 82 3HG2 THR 82 1.695 -10.125 0.593 642 H ALA 83 H ALA 83 -2.893 -10.228 -0.582 643 HA ALA 83 HA ALA 83 -2.687 -13.039 -0.546 644 1HB ALA 83 1HB ALA 83 -4.993 -11.234 -1.341 645 2HB ALA 83 2HB ALA 83 -5.153 -12.964 -0.978 646 3HB ALA 83 3HB ALA 83 -4.642 -11.823 0.293 647 H CYS 84 H CYS 84 -3.451 -10.833 -3.291 648 HA CYS 84 HA CYS 84 -3.748 -12.881 -5.227 649 1HB CYS 84 1HB CYS 84 -4.416 -10.620 -5.719 650 2HB CYS 84 2HB CYS 84 -2.728 -10.058 -5.645 651 HG CYS 84 HG CYS 84 -1.858 -11.753 -7.513 652 H HIS 85 H HIS 85 -0.675 -11.143 -4.218 653 HA HIS 85 HA HIS 85 0.959 -12.566 -6.048 654 1HB HIS 85 1HB HIS 85 1.602 -10.565 -4.766 655 2HB HIS 85 2HB HIS 85 1.776 -11.553 -3.310 656 HD1 HIS 85 HD1 HIS 85 3.252 -13.964 -5.240 657 HD2 HIS 85 HD2 HIS 85 4.182 -9.898 -4.758 658 HE1 HIS 85 HE1 HIS 85 5.728 -13.696 -5.845 659 H GLU 86 H GLU 86 -0.014 -13.342 -2.689 660 HA GLU 86 HA GLU 86 1.484 -15.715 -2.369 661 1HB GLU 86 1HB GLU 86 -1.231 -14.895 -1.256 662 2HB GLU 86 2HB GLU 86 -0.394 -16.359 -0.769 663 1HG GLU 86 1HG GLU 86 1.573 -15.012 -0.045 664 2HG GLU 86 2HG GLU 86 0.768 -13.534 -0.533 665 H PHE 87 H PHE 87 -1.751 -15.237 -3.851 666 HA PHE 87 HA PHE 87 -2.077 -17.965 -4.639 667 1HB PHE 87 1HB PHE 87 -4.055 -17.017 -4.915 668 2HB PHE 87 2HB PHE 87 -3.406 -15.404 -5.179 669 HD1 PHE 87 HD1 PHE 87 -3.796 -18.712 -6.959 670 HD2 PHE 87 HD2 PHE 87 -3.598 -14.413 -7.314 671 HE1 PHE 87 HE1 PHE 87 -4.221 -18.888 -9.385 672 HE2 PHE 87 HE2 PHE 87 -4.048 -14.599 -9.736 673 HZ PHE 87 HZ PHE 87 -4.362 -16.837 -10.782 674 H PHE 88 H PHE 88 -0.683 -15.195 -6.302 675 HA PHE 88 HA PHE 88 -0.481 -16.164 -8.863 676 1HB PHE 88 1HB PHE 88 -0.142 -13.840 -7.979 677 2HB PHE 88 2HB PHE 88 1.514 -14.299 -7.534 678 HD1 PHE 88 HD1 PHE 88 3.225 -14.674 -9.298 679 HD2 PHE 88 HD2 PHE 88 -0.797 -13.450 -10.281 680 HE1 PHE 88 HE1 PHE 88 3.997 -13.899 -11.522 681 HE2 PHE 88 HE2 PHE 88 -0.009 -12.674 -12.501 682 HZ PHE 88 HZ PHE 88 2.387 -12.888 -13.118 683 H GLU 89 H GLU 89 1.630 -16.998 -6.164 684 HA GLU 89 HA GLU 89 3.879 -18.032 -7.435 685 1HB GLU 89 1HB GLU 89 4.130 -19.422 -5.547 686 2HB GLU 89 2HB GLU 89 3.310 -17.964 -4.967 687 1HG GLU 89 1HG GLU 89 1.111 -19.287 -5.183 688 2HG GLU 89 2HG GLU 89 2.100 -20.722 -5.483 689 H HIS 90 H HIS 90 0.575 -19.322 -7.348 690 HA HIS 90 HA HIS 90 1.256 -21.210 -9.556 691 1HB HIS 90 1HB HIS 90 0.864 -22.452 -7.454 692 2HB HIS 90 2HB HIS 90 -0.724 -21.694 -7.305 693 HD1 HIS 90 HD1 HIS 90 -2.316 -22.186 -9.631 694 HD2 HIS 90 HD2 HIS 90 0.989 -24.652 -8.859 695 HE1 HIS 90 HE1 HIS 90 -2.663 -24.332 -11.017 696 H GLU 91 H GLU 91 0.796 -18.990 -10.585 697 HA GLU 91 HA GLU 91 -1.602 -17.756 -10.897 698 1HB GLU 91 1HB GLU 91 0.117 -18.766 -13.212 699 2HB GLU 91 2HB GLU 91 -1.106 -17.490 -13.286 700 1HG GLU 91 1HG GLU 91 0.254 -16.216 -11.544 701 2HG GLU 91 2HG GLU 91 1.540 -17.411 -11.783 702 1H SER 1 1H SER 1 -8.708 -4.514 -15.802 703 2H SER 1 2H SER 1 -9.115 -4.843 -14.233 704 3H SER 1 3H SER 1 -10.299 -4.751 -15.378 705 HA SER 1 HA SER 1 -9.849 -2.475 -15.759 706 1HB SER 1 1HB SER 1 -10.467 -3.103 -12.861 707 2HB SER 1 2HB SER 1 -11.018 -1.686 -13.801 708 HG SER 1 HG SER 1 -12.630 -3.273 -13.698 709 H GLU 2 H GLU 2 -8.996 -0.458 -14.746 710 HA GLU 2 HA GLU 2 -6.297 -0.462 -14.963 711 1HB GLU 2 1HB GLU 2 -7.764 1.527 -15.137 712 2HB GLU 2 2HB GLU 2 -7.956 1.548 -13.383 713 1HG GLU 2 1HG GLU 2 -6.331 3.217 -14.082 714 2HG GLU 2 2HG GLU 2 -5.534 1.989 -13.099 715 H LEU 3 H LEU 3 -7.970 -0.310 -11.741 716 HA LEU 3 HA LEU 3 -5.441 -0.183 -10.387 717 1HB LEU 3 1HB LEU 3 -8.035 -1.093 -9.139 718 2HB LEU 3 2HB LEU 3 -6.573 -0.497 -8.338 719 HG LEU 3 HG LEU 3 -8.428 1.153 -10.117 720 1HD1 LEU 3 1HD1 LEU 3 -7.636 1.336 -7.184 721 2HD1 LEU 3 2HD1 LEU 3 -8.733 2.444 -8.035 722 3HD1 LEU 3 3HD1 LEU 3 -9.196 0.748 -7.787 723 1HD2 LEU 3 1HD2 LEU 3 -6.932 3.061 -9.479 724 2HD2 LEU 3 2HD2 LEU 3 -5.748 1.871 -8.909 725 3HD2 LEU 3 3HD2 LEU 3 -6.206 1.937 -10.625 726 H GLU 4 H GLU 4 -7.674 -3.034 -10.801 727 HA GLU 4 HA GLU 4 -5.867 -4.786 -9.523 728 1HB GLU 4 1HB GLU 4 -7.048 -6.612 -10.560 729 2HB GLU 4 2HB GLU 4 -8.085 -5.417 -9.779 730 1HG GLU 4 1HG GLU 4 -8.534 -4.443 -12.091 731 2HG GLU 4 2HG GLU 4 -7.673 -5.832 -12.771 732 H LYS 5 H LYS 5 -5.845 -3.583 -12.860 733 HA LYS 5 HA LYS 5 -3.821 -5.399 -13.814 734 1HB LYS 5 1HB LYS 5 -4.735 -2.681 -14.764 735 2HB LYS 5 2HB LYS 5 -3.428 -3.572 -15.546 736 1HG LYS 5 1HG LYS 5 -6.209 -4.748 -15.128 737 2HG LYS 5 2HG LYS 5 -5.718 -3.850 -16.573 738 1HD LYS 5 1HD LYS 5 -3.868 -5.512 -16.936 739 2HD LYS 5 2HD LYS 5 -4.474 -6.460 -15.564 740 1HE LYS 5 1HE LYS 5 -6.672 -6.708 -16.692 741 2HE LYS 5 2HE LYS 5 -6.059 -5.786 -18.080 742 1HZ LYS 5 1HZ LYS 5 -5.922 -8.128 -18.443 743 2HZ LYS 5 2HZ LYS 5 -4.408 -7.479 -18.396 744 3HZ LYS 5 3HZ LYS 5 -4.978 -8.337 -17.109 745 H ALA 6 H ALA 6 -3.676 -2.061 -12.534 746 HA ALA 6 HA ALA 6 -0.886 -1.732 -12.461 747 1HB ALA 6 1HB ALA 6 -3.009 -0.726 -10.520 748 2HB ALA 6 2HB ALA 6 -1.376 -0.070 -10.698 749 3HB ALA 6 3HB ALA 6 -2.532 0.046 -12.041 750 H VAL 7 H VAL 7 -3.061 -3.280 -10.081 751 HA VAL 7 HA VAL 7 -1.102 -3.933 -8.146 752 HB VAL 7 HB VAL 7 -3.818 -5.025 -8.848 753 1HG1 VAL 7 1HG1 VAL 7 -3.718 -6.302 -6.707 754 2HG1 VAL 7 2HG1 VAL 7 -2.763 -6.983 -8.034 755 3HG1 VAL 7 3HG1 VAL 7 -1.953 -6.081 -6.735 756 1HG2 VAL 7 1HG2 VAL 7 -4.408 -3.998 -6.697 757 2HG2 VAL 7 2HG2 VAL 7 -2.710 -3.558 -6.418 758 3HG2 VAL 7 3HG2 VAL 7 -3.617 -2.796 -7.729 759 H VAL 8 H VAL 8 -2.310 -6.070 -10.906 760 HA VAL 8 HA VAL 8 -0.378 -8.056 -10.172 761 HB VAL 8 HB VAL 8 -0.720 -9.127 -12.284 762 1HG1 VAL 8 1HG1 VAL 8 -3.091 -9.662 -11.984 763 2HG1 VAL 8 2HG1 VAL 8 -2.281 -9.515 -10.415 764 3HG1 VAL 8 3HG1 VAL 8 -3.323 -8.200 -11.006 765 1HG2 VAL 8 1HG2 VAL 8 -2.307 -8.329 -13.943 766 2HG2 VAL 8 2HG2 VAL 8 -2.587 -6.871 -12.982 767 3HG2 VAL 8 3HG2 VAL 8 -1.011 -7.132 -13.764 768 H ALA 9 H ALA 9 -0.110 -5.168 -12.252 769 HA ALA 9 HA ALA 9 2.511 -5.729 -13.218 770 1HB ALA 9 1HB ALA 9 1.157 -3.849 -14.045 771 2HB ALA 9 2HB ALA 9 1.372 -3.001 -12.500 772 3HB ALA 9 3HB ALA 9 2.775 -3.345 -13.515 773 H LEU 10 H LEU 10 1.480 -4.099 -10.155 774 HA LEU 10 HA LEU 10 4.061 -3.717 -9.045 775 1HB LEU 10 1HB LEU 10 1.272 -3.880 -7.985 776 2HB LEU 10 2HB LEU 10 2.514 -4.389 -6.849 777 HG LEU 10 HG LEU 10 3.725 -2.251 -7.216 778 1HD1 LEU 10 1HD1 LEU 10 2.510 -0.368 -8.249 779 2HD1 LEU 10 2HD1 LEU 10 2.705 -1.655 -9.458 780 3HD1 LEU 10 3HD1 LEU 10 1.144 -1.430 -8.637 781 1HD2 LEU 10 1HD2 LEU 10 2.255 -2.591 -5.296 782 2HD2 LEU 10 2HD2 LEU 10 2.143 -0.915 -5.864 783 3HD2 LEU 10 3HD2 LEU 10 0.850 -2.068 -6.259 784 H ILE 11 H ILE 11 1.887 -6.551 -8.736 785 HA ILE 11 HA ILE 11 3.590 -8.149 -7.117 786 HB ILE 11 HB ILE 11 1.540 -8.889 -9.247 787 1HG1 ILE 11 1HG1 ILE 11 1.433 -8.903 -6.207 788 2HG1 ILE 11 2HG1 ILE 11 0.764 -7.633 -7.224 789 1HG2 ILE 11 1HG2 ILE 11 3.044 -10.808 -9.042 790 2HG2 ILE 11 2HG2 ILE 11 2.915 -10.739 -7.277 791 3HG2 ILE 11 3HG2 ILE 11 1.512 -11.171 -8.275 792 1HD1 ILE 11 1HD1 ILE 11 -1.036 -8.995 -6.600 793 2HD1 ILE 11 2HD1 ILE 11 -0.725 -9.387 -8.299 794 3HD1 ILE 11 3HD1 ILE 11 -0.194 -10.497 -7.013 795 H ASP 12 H ASP 12 3.310 -8.034 -10.694 796 HA ASP 12 HA ASP 12 5.255 -10.006 -11.204 797 1HB ASP 12 1HB ASP 12 3.580 -9.205 -12.832 798 2HB ASP 12 2HB ASP 12 4.381 -7.637 -12.920 799 H VAL 13 H VAL 13 5.585 -6.436 -11.245 800 HA VAL 13 HA VAL 13 8.329 -6.295 -11.899 801 HB VAL 13 HB VAL 13 6.478 -4.411 -10.362 802 1HG1 VAL 13 1HG1 VAL 13 8.166 -2.641 -10.857 803 2HG1 VAL 13 2HG1 VAL 13 8.746 -3.826 -9.680 804 3HG1 VAL 13 3HG1 VAL 13 9.297 -3.904 -11.377 805 1HG2 VAL 13 1HG2 VAL 13 7.670 -4.305 -13.181 806 2HG2 VAL 13 2HG2 VAL 13 6.034 -4.879 -12.843 807 3HG2 VAL 13 3HG2 VAL 13 6.462 -3.194 -12.501 808 H PHE 14 H PHE 14 6.743 -6.151 -8.679 809 HA PHE 14 HA PHE 14 9.042 -6.102 -7.058 810 1HB PHE 14 1HB PHE 14 6.826 -5.795 -6.142 811 2HB PHE 14 2HB PHE 14 6.314 -7.389 -6.687 812 HD1 PHE 14 HD1 PHE 14 8.450 -5.623 -4.215 813 HD2 PHE 14 HD2 PHE 14 6.910 -9.428 -5.541 814 HE1 PHE 14 HE1 PHE 14 9.147 -6.678 -2.065 815 HE2 PHE 14 HE2 PHE 14 7.802 -10.494 -3.521 816 HZ PHE 14 HZ PHE 14 8.896 -9.113 -1.745 817 H HIS 15 H HIS 15 7.232 -8.950 -8.345 818 HA HIS 15 HA HIS 15 8.851 -10.873 -7.117 819 1HB HIS 15 1HB HIS 15 6.624 -11.256 -8.137 820 2HB HIS 15 2HB HIS 15 7.364 -11.203 -9.743 821 HD1 HIS 15 HD1 HIS 15 9.972 -13.003 -8.367 822 HD2 HIS 15 HD2 HIS 15 5.848 -13.808 -8.657 823 HE1 HIS 15 HE1 HIS 15 9.705 -15.536 -8.197 824 H GLN 16 H GLN 16 9.303 -9.182 -10.282 825 HA GLN 16 HA GLN 16 11.430 -10.869 -11.170 826 1HB GLN 16 1HB GLN 16 11.213 -7.865 -11.695 827 2HB GLN 16 2HB GLN 16 12.176 -9.051 -12.575 828 1HG GLN 16 1HG GLN 16 9.221 -8.562 -12.701 829 2HG GLN 16 2HG GLN 16 10.391 -8.742 -13.990 830 1HE2 GLN 16 1HE2 GLN 16 8.161 -10.406 -11.903 831 2HE2 GLN 16 2HE2 GLN 16 8.417 -12.020 -12.576 832 H TYR 17 H TYR 17 11.585 -7.812 -9.268 833 HA TYR 17 HA TYR 17 14.417 -7.911 -8.867 834 1HB TYR 17 1HB TYR 17 12.261 -6.680 -7.135 835 2HB TYR 17 2HB TYR 17 13.992 -6.405 -6.947 836 HD1 TYR 17 HD1 TYR 17 15.288 -5.537 -9.070 837 HD2 TYR 17 HD2 TYR 17 11.043 -5.163 -8.454 838 HE1 TYR 17 HE1 TYR 17 15.212 -3.690 -10.727 839 HE2 TYR 17 HE2 TYR 17 11.006 -3.235 -10.021 840 HH TYR 17 HH TYR 17 13.812 -2.068 -11.830 841 H SER 18 H SER 18 11.741 -9.057 -6.778 842 HA SER 18 HA SER 18 13.323 -10.104 -4.682 843 1HB SER 18 1HB SER 18 10.626 -11.167 -5.599 844 2HB SER 18 2HB SER 18 11.345 -11.221 -3.985 845 HG SER 18 HG SER 18 10.378 -8.964 -5.362 846 H GLY 19 H GLY 19 12.620 -11.489 -7.882 847 1HA GLY 19 1HA GLY 19 13.286 -14.205 -7.229 848 2HA GLY 19 2HA GLY 19 13.213 -13.452 -8.833 849 H ARG 20 H ARG 20 15.175 -11.262 -7.858 850 HA ARG 20 HA ARG 20 17.472 -12.643 -8.943 851 1HB ARG 20 1HB ARG 20 17.454 -9.874 -7.722 852 2HB ARG 20 2HB ARG 20 18.575 -10.559 -8.903 853 1HG ARG 20 1HG ARG 20 16.396 -10.790 -10.418 854 2HG ARG 20 2HG ARG 20 15.692 -9.718 -9.244 855 1HD ARG 20 1HD ARG 20 16.503 -8.344 -11.043 856 2HD ARG 20 2HD ARG 20 17.383 -8.022 -9.539 857 HE ARG 20 HE ARG 20 18.606 -9.987 -11.356 858 1HH1 ARG 20 1HH1 ARG 20 18.520 -6.549 -10.396 859 2HH1 ARG 20 2HH1 ARG 20 20.075 -6.200 -11.072 860 1HH2 ARG 20 2HH2 ARG 20 20.629 -9.497 -12.257 861 2HH2 ARG 20 1HH2 ARG 20 21.284 -7.884 -12.166 862 H GLU 21 H GLU 21 16.812 -11.086 -5.718 863 HA GLU 21 HA GLU 21 18.588 -12.992 -4.449 864 1HB GLU 21 1HB GLU 21 19.817 -10.786 -5.439 865 2HB GLU 21 2HB GLU 21 19.222 -10.094 -3.920 866 1HG GLU 21 1HG GLU 21 20.181 -12.118 -2.770 867 2HG GLU 21 2HG GLU 21 20.894 -12.578 -4.327 868 H GLY 22 H GLY 22 17.239 -13.718 -2.931 869 1HA GLY 22 1HA GLY 22 16.656 -12.822 -0.561 870 2HA GLY 22 2HA GLY 22 15.413 -11.905 -1.446 871 H ASP 23 H ASP 23 13.553 -12.992 -2.108 872 HA ASP 23 HA ASP 23 13.547 -15.887 -2.467 873 1HB ASP 23 1HB ASP 23 13.184 -15.920 -0.075 874 2HB ASP 23 2HB ASP 23 12.110 -14.518 -0.153 875 H LYS 24 H LYS 24 11.473 -16.491 -3.455 876 HA LYS 24 HA LYS 24 10.368 -15.107 -5.469 877 1HB LYS 24 1HB LYS 24 9.799 -17.428 -4.629 878 2HB LYS 24 2HB LYS 24 8.819 -16.680 -3.369 879 1HG LYS 24 1HG LYS 24 7.513 -15.568 -5.393 880 2HG LYS 24 2HG LYS 24 8.398 -16.734 -6.369 881 1HD LYS 24 1HD LYS 24 6.274 -17.698 -5.910 882 2HD LYS 24 2HD LYS 24 7.473 -18.597 -4.980 883 1HE LYS 24 1HE LYS 24 5.447 -18.209 -3.654 884 2HE LYS 24 2HE LYS 24 6.790 -17.357 -2.910 885 1HZ LYS 24 1HZ LYS 24 6.002 -15.342 -3.919 886 2HZ LYS 24 2HZ LYS 24 4.769 -16.148 -4.667 887 3HZ LYS 24 3HZ LYS 24 4.812 -16.045 -3.021 888 H HIS 25 H HIS 25 9.365 -14.751 -2.046 889 HA HIS 25 HA HIS 25 7.497 -12.560 -2.763 890 1HB HIS 25 1HB HIS 25 6.829 -14.785 -1.655 891 2HB HIS 25 2HB HIS 25 7.594 -14.158 -0.199 892 HD1 HIS 25 HD1 HIS 25 5.927 -12.805 1.298 893 HD2 HIS 25 HD2 HIS 25 4.746 -13.237 -2.709 894 HE1 HIS 25 HE1 HIS 25 3.524 -11.958 1.149 895 H LYS 26 H LYS 26 10.694 -12.497 -1.905 896 HA LYS 26 HA LYS 26 10.332 -10.189 -0.130 897 1HB LYS 26 1HB LYS 26 12.322 -12.250 0.759 898 2HB LYS 26 2HB LYS 26 11.562 -10.926 1.667 899 1HG LYS 26 1HG LYS 26 9.416 -12.222 1.686 900 2HG LYS 26 2HG LYS 26 10.259 -13.548 0.867 901 1HD LYS 26 1HD LYS 26 11.982 -13.447 2.796 902 2HD LYS 26 2HD LYS 26 10.826 -12.391 3.630 903 1HE LYS 26 1HE LYS 26 9.094 -14.233 3.346 904 2HE LYS 26 2HE LYS 26 10.382 -15.239 2.638 905 1HZ LYS 26 1HZ LYS 26 11.590 -14.955 4.720 906 2HZ LYS 26 2HZ LYS 26 10.302 -14.166 5.374 907 3HZ LYS 26 3HZ LYS 26 10.149 -15.739 4.916 908 H LEU 27 H LEU 27 12.045 -8.750 0.002 909 HA LEU 27 HA LEU 27 14.042 -8.890 -2.238 910 1HB LEU 27 1HB LEU 27 12.798 -6.587 -0.681 911 2HB LEU 27 2HB LEU 27 14.067 -6.374 -1.882 912 HG LEU 27 HG LEU 27 11.373 -7.575 -2.571 913 1HD1 LEU 27 1HD1 LEU 27 11.065 -5.298 -1.598 914 2HD1 LEU 27 2HD1 LEU 27 12.324 -4.668 -2.676 915 3HD1 LEU 27 3HD1 LEU 27 10.799 -5.256 -3.354 916 1HD2 LEU 27 1HD2 LEU 27 13.441 -6.118 -4.287 917 2HD2 LEU 27 2HD2 LEU 27 13.259 -7.883 -4.221 918 3HD2 LEU 27 3HD2 LEU 27 11.932 -6.874 -4.835 919 H LYS 28 H LYS 28 16.231 -8.987 -1.662 920 HA LYS 28 HA LYS 28 17.190 -8.520 1.048 921 1HB LYS 28 1HB LYS 28 18.492 -8.630 -1.689 922 2HB LYS 28 2HB LYS 28 19.442 -8.354 -0.238 923 1HG LYS 28 1HG LYS 28 17.583 -10.708 -0.484 924 2HG LYS 28 2HG LYS 28 19.190 -10.731 -1.206 925 1HD LYS 28 1HD LYS 28 18.577 -10.288 1.770 926 2HD LYS 28 2HD LYS 28 19.076 -11.821 1.059 927 1HE LYS 28 1HE LYS 28 20.757 -9.280 1.282 928 2HE LYS 28 2HE LYS 28 20.977 -10.813 2.122 929 1HZ LYS 28 1HZ LYS 28 21.397 -11.842 -0.010 930 2HZ LYS 28 2HZ LYS 28 21.271 -10.381 -0.769 931 3HZ LYS 28 3HZ LYS 28 22.475 -10.642 0.320 932 H LYS 29 H LYS 29 18.838 -6.718 1.500 933 HA LYS 29 HA LYS 29 17.851 -4.115 0.985 934 1HB LYS 29 1HB LYS 29 20.023 -3.300 1.745 935 2HB LYS 29 2HB LYS 29 19.351 -4.500 2.829 936 1HG LYS 29 1HG LYS 29 20.925 -6.208 1.890 937 2HG LYS 29 2HG LYS 29 21.620 -4.945 0.845 938 1HD LYS 29 1HD LYS 29 22.161 -3.583 2.855 939 2HD LYS 29 2HD LYS 29 21.483 -4.848 3.895 940 1HE LYS 29 1HE LYS 29 23.190 -6.452 3.068 941 2HE LYS 29 2HE LYS 29 23.873 -5.189 2.024 942 1HZ LYS 29 1HZ LYS 29 23.709 -5.085 4.955 943 2HZ LYS 29 2HZ LYS 29 25.066 -5.397 4.074 944 3HZ LYS 29 3HZ LYS 29 24.350 -3.916 3.988 945 H SER 30 H SER 30 20.145 -6.070 -0.930 946 HA SER 30 HA SER 30 21.080 -4.033 -2.676 947 1HB SER 30 1HB SER 30 21.253 -6.253 -4.149 948 2HB SER 30 2HB SER 30 22.229 -6.105 -2.671 949 HG SER 30 HG SER 30 21.044 -8.106 -2.738 950 H GLU 31 H GLU 31 18.417 -6.466 -2.933 951 HA GLU 31 HA GLU 31 17.495 -5.391 -5.435 952 1HB GLU 31 1HB GLU 31 15.890 -7.110 -3.502 953 2HB GLU 31 2HB GLU 31 15.623 -6.881 -5.239 954 1HG GLU 31 1HG GLU 31 17.904 -8.320 -3.884 955 2HG GLU 31 2HG GLU 31 16.708 -8.982 -5.005 956 H LEU 32 H LEU 32 16.476 -4.777 -2.092 957 HA LEU 32 HA LEU 32 14.196 -3.213 -2.718 958 1HB LEU 32 1HB LEU 32 15.169 -4.210 -0.454 959 2HB LEU 32 2HB LEU 32 15.898 -2.599 -0.298 960 HG LEU 32 HG LEU 32 12.945 -3.350 -0.575 961 1HD1 LEU 32 1HD1 LEU 32 12.788 -2.541 1.727 962 2HD1 LEU 32 2HD1 LEU 32 14.021 -3.810 1.602 963 3HD1 LEU 32 3HD1 LEU 32 14.510 -2.102 1.722 964 1HD2 LEU 32 1HD2 LEU 32 12.508 -0.927 -0.058 965 2HD2 LEU 32 2HD2 LEU 32 14.230 -0.599 -0.367 966 3HD2 LEU 32 3HD2 LEU 32 13.174 -1.213 -1.667 967 H LYS 33 H LYS 33 17.618 -2.278 -2.077 968 HA LYS 33 HA LYS 33 17.371 0.494 -2.566 969 1HB LYS 33 1HB LYS 33 19.306 -0.453 -1.529 970 2HB LYS 33 2HB LYS 33 19.670 -1.471 -2.918 971 1HG LYS 33 1HG LYS 33 20.127 0.594 -4.271 972 2HG LYS 33 2HG LYS 33 19.743 1.580 -2.839 973 1HD LYS 33 1HD LYS 33 21.690 0.463 -1.660 974 2HD LYS 33 2HD LYS 33 21.990 -0.470 -3.127 975 1HE LYS 33 1HE LYS 33 23.529 1.412 -3.071 976 2HE LYS 33 2HE LYS 33 22.379 1.655 -4.393 977 1HZ LYS 33 1HZ LYS 33 22.338 2.958 -1.746 978 2HZ LYS 33 2HZ LYS 33 22.674 3.656 -3.191 979 3HZ LYS 33 3HZ LYS 33 21.156 3.123 -2.884 980 H GLU 34 H GLU 34 18.154 -2.190 -4.850 981 HA GLU 34 HA GLU 34 18.434 -0.541 -7.154 982 1HB GLU 34 1HB GLU 34 19.190 -2.875 -7.084 983 2HB GLU 34 2HB GLU 34 17.532 -3.456 -6.869 984 1HG GLU 34 1HG GLU 34 16.893 -2.708 -9.083 985 2HG GLU 34 2HG GLU 34 18.459 -1.903 -9.317 986 H LEU 35 H LEU 35 15.592 -2.341 -5.977 987 HA LEU 35 HA LEU 35 13.681 -1.570 -7.834 988 1HB LEU 35 1HB LEU 35 13.300 -3.269 -6.271 989 2HB LEU 35 2HB LEU 35 13.621 -2.245 -4.887 990 HG LEU 35 HG LEU 35 11.274 -2.947 -5.173 991 1HD1 LEU 35 1HD1 LEU 35 11.414 0.078 -5.237 992 2HD1 LEU 35 2HD1 LEU 35 10.256 -0.965 -4.428 993 3HD1 LEU 35 3HD1 LEU 35 11.919 -0.926 -3.849 994 1HD2 LEU 35 1HD2 LEU 35 11.310 -1.123 -7.610 995 2HD2 LEU 35 2HD2 LEU 35 10.961 -2.865 -7.528 996 3HD2 LEU 35 3HD2 LEU 35 9.862 -1.708 -6.786 997 H ILE 36 H ILE 36 14.471 0.173 -4.721 998 HA ILE 36 HA ILE 36 12.629 2.265 -5.312 999 HB ILE 36 HB ILE 36 15.043 2.299 -3.482 1000 1HG1 ILE 36 1HG1 ILE 36 12.036 2.061 -2.952 1001 2HG1 ILE 36 2HG1 ILE 36 13.183 0.722 -2.926 1002 1HG2 ILE 36 1HG2 ILE 36 12.760 4.312 -3.835 1003 2HG2 ILE 36 2HG2 ILE 36 13.914 4.334 -2.511 1004 3HG2 ILE 36 3HG2 ILE 36 14.478 4.628 -4.150 1005 1HD1 ILE 36 1HD1 ILE 36 12.743 1.394 -0.664 1006 2HD1 ILE 36 2HD1 ILE 36 14.424 1.812 -1.062 1007 3HD1 ILE 36 3HD1 ILE 36 13.165 3.066 -0.982 1008 H ASN 37 H ASN 37 16.222 2.196 -5.873 1009 HA ASN 37 HA ASN 37 16.376 4.788 -7.039 1010 1HB ASN 37 1HB ASN 37 17.941 2.240 -7.661 1011 2HB ASN 37 2HB ASN 37 18.295 3.816 -8.393 1012 1HD2 ASN 37 2HD2 ASN 37 18.717 1.870 -5.575 1013 2HD2 ASN 37 1HD2 ASN 37 19.815 3.016 -4.792 1014 H ASN 38 H ASN 38 15.674 1.649 -8.540 1015 HA ASN 38 HA ASN 38 15.763 2.673 -11.207 1016 1HB ASN 38 1HB ASN 38 16.425 0.367 -10.406 1017 2HB ASN 38 2HB ASN 38 14.694 -0.009 -10.230 1018 1HD2 ASN 38 1HD2 ASN 38 16.892 1.540 -12.673 1019 2HD2 ASN 38 2HD2 ASN 38 16.290 0.585 -14.017 1020 H GLU 39 H GLU 39 13.067 1.869 -8.989 1021 HA GLU 39 HA GLU 39 11.131 2.576 -11.145 1022 1HB GLU 39 1HB GLU 39 10.848 1.153 -8.488 1023 2HB GLU 39 2HB GLU 39 9.473 1.713 -9.424 1024 1HG GLU 39 1HG GLU 39 11.603 -0.161 -10.545 1025 2HG GLU 39 2HG GLU 39 10.079 -0.703 -9.833 1026 H LEU 40 H LEU 40 12.100 3.697 -7.832 1027 HA LEU 40 HA LEU 40 9.861 5.658 -7.923 1028 1HB LEU 40 1HB LEU 40 11.590 4.517 -5.761 1029 2HB LEU 40 2HB LEU 40 10.969 6.141 -5.549 1030 HG LEU 40 HG LEU 40 8.671 5.408 -5.822 1031 1HD1 LEU 40 1HD1 LEU 40 8.968 3.378 -7.184 1032 2HD1 LEU 40 2HD1 LEU 40 9.876 2.609 -5.851 1033 3HD1 LEU 40 3HD1 LEU 40 8.151 2.998 -5.658 1034 1HD2 LEU 40 1HD2 LEU 40 9.689 5.600 -3.597 1035 2HD2 LEU 40 2HD2 LEU 40 8.563 4.231 -3.635 1036 3HD2 LEU 40 3HD2 LEU 40 10.311 3.940 -3.713 1037 H SER 41 H SER 41 12.358 5.855 -9.721 1038 HA SER 41 HA SER 41 14.273 7.508 -8.851 1039 1HB SER 41 1HB SER 41 13.058 7.767 -11.619 1040 2HB SER 41 2HB SER 41 14.770 7.820 -11.149 1041 HG SER 41 HG SER 41 14.543 5.585 -10.550 1042 H HIS 42 H HIS 42 11.023 8.607 -9.803 1043 HA HIS 42 HA HIS 42 11.817 11.467 -9.630 1044 1HB HIS 42 1HB HIS 42 10.342 10.694 -11.453 1045 2HB HIS 42 2HB HIS 42 9.144 10.165 -10.271 1046 HD1 HIS 42 HD1 HIS 42 9.880 13.165 -8.635 1047 HD2 HIS 42 HD2 HIS 42 8.193 12.212 -12.375 1048 HE1 HIS 42 HE1 HIS 42 8.465 15.173 -9.339 1049 H PHE 43 H PHE 43 9.916 8.975 -7.974 1050 HA PHE 43 HA PHE 43 8.595 10.746 -6.133 1051 1HB PHE 43 1HB PHE 43 8.851 7.788 -6.539 1052 2HB PHE 43 2HB PHE 43 8.377 8.310 -4.948 1053 HD1 PHE 43 HD1 PHE 43 7.529 9.351 -8.501 1054 HD2 PHE 43 HD2 PHE 43 6.078 8.484 -4.534 1055 HE1 PHE 43 HE1 PHE 43 5.208 9.628 -9.293 1056 HE2 PHE 43 HE2 PHE 43 3.762 8.747 -5.331 1057 HZ PHE 43 HZ PHE 43 3.314 9.294 -7.732 1058 H LEU 44 H LEU 44 11.586 8.841 -5.893 1059 HA LEU 44 HA LEU 44 12.337 10.226 -3.379 1060 1HB LEU 44 1HB LEU 44 12.121 7.300 -4.004 1061 2HB LEU 44 2HB LEU 44 13.666 7.804 -3.342 1062 HG LEU 44 HG LEU 44 12.601 8.828 -1.440 1063 1HD1 LEU 44 1HD1 LEU 44 10.199 8.233 -0.903 1064 2HD1 LEU 44 2HD1 LEU 44 10.461 9.518 -2.058 1065 3HD1 LEU 44 3HD1 LEU 44 9.990 7.897 -2.643 1066 1HD2 LEU 44 1HD2 LEU 44 11.736 5.946 -1.905 1067 2HD2 LEU 44 2HD2 LEU 44 13.338 6.474 -1.350 1068 3HD2 LEU 44 3HD2 LEU 44 11.924 6.718 -0.313 1069 H GLU 45 H GLU 45 14.395 10.993 -3.436 1070 HA GLU 45 HA GLU 45 15.904 11.144 -5.857 1071 1HB GLU 45 1HB GLU 45 16.000 12.809 -4.037 1072 2HB GLU 45 2HB GLU 45 16.673 11.594 -2.936 1073 1HG GLU 45 1HG GLU 45 18.358 13.193 -3.757 1074 2HG GLU 45 2HG GLU 45 18.759 11.538 -4.207 1075 H GLU 46 H GLU 46 18.054 10.232 -6.199 1076 HA GLU 46 HA GLU 46 18.347 7.508 -6.143 1077 1HB GLU 46 1HB GLU 46 19.706 9.149 -7.454 1078 2HB GLU 46 2HB GLU 46 20.551 9.612 -5.965 1079 1HG GLU 46 1HG GLU 46 21.390 7.250 -5.754 1080 2HG GLU 46 2HG GLU 46 20.554 6.848 -7.262 1081 H ILE 47 H ILE 47 18.906 6.030 -4.704 1082 HA ILE 47 HA ILE 47 18.847 6.756 -1.900 1083 HB ILE 47 HB ILE 47 19.168 4.089 -3.295 1084 1HG1 ILE 47 1HG1 ILE 47 17.000 5.323 -3.755 1085 2HG1 ILE 47 2HG1 ILE 47 16.839 3.721 -3.018 1086 1HG2 ILE 47 1HG2 ILE 47 18.600 4.661 -0.368 1087 2HG2 ILE 47 2HG2 ILE 47 18.411 3.074 -1.153 1088 3HG2 ILE 47 3HG2 ILE 47 20.002 3.849 -1.086 1089 1HD1 ILE 47 1HD1 ILE 47 16.910 6.151 -1.211 1090 2HD1 ILE 47 2HD1 ILE 47 15.456 5.762 -2.102 1091 3HD1 ILE 47 3HD1 ILE 47 16.147 4.571 -0.963 1092 H LYS 48 H LYS 48 20.408 6.449 -0.332 1093 HA LYS 48 HA LYS 48 23.138 6.638 -1.446 1094 1HB LYS 48 1HB LYS 48 21.806 8.520 -0.100 1095 2HB LYS 48 2HB LYS 48 22.417 7.675 1.300 1096 1HG LYS 48 1HG LYS 48 24.005 9.402 0.675 1097 2HG LYS 48 2HG LYS 48 24.755 7.907 0.102 1098 1HD LYS 48 1HD LYS 48 23.113 8.659 -2.056 1099 2HD LYS 48 2HD LYS 48 23.593 10.207 -1.376 1100 1HE LYS 48 1HE LYS 48 25.127 9.613 -3.089 1101 2HE LYS 48 2HE LYS 48 25.996 9.433 -1.539 1102 1HZ LYS 48 1HZ LYS 48 25.593 7.075 -1.691 1103 2HZ LYS 48 2HZ LYS 48 26.388 7.601 -3.035 1104 3HZ LYS 48 3HZ LYS 48 24.778 7.263 -3.112 1105 H GLU 49 H GLU 49 23.964 6.524 1.547 1106 HA GLU 49 HA GLU 49 25.526 4.401 1.053 1107 1HB GLU 49 1HB GLU 49 24.697 5.621 3.715 1108 2HB GLU 49 2HB GLU 49 26.037 4.474 3.575 1109 1HG GLU 49 1HG GLU 49 27.252 5.955 2.067 1110 2HG GLU 49 2HG GLU 49 25.925 7.117 2.049 1111 H GLN 50 H GLN 50 25.490 2.186 1.448 1112 HA GLN 50 HA GLN 50 23.203 0.685 1.577 1113 1HB GLN 50 1HB GLN 50 26.041 -0.018 2.348 1114 2HB GLN 50 2HB GLN 50 24.715 -1.176 2.442 1115 1HG GLN 50 1HG GLN 50 25.747 -1.531 0.344 1116 2HG GLN 50 2HG GLN 50 24.166 -0.811 0.038 1117 1HE2 GLN 50 1HE2 GLN 50 25.280 -0.426 -2.146 1118 2HE2 GLN 50 2HE2 GLN 50 26.229 1.045 -2.289 1119 H GLU 51 H GLU 51 25.024 1.866 4.418 1120 HA GLU 51 HA GLU 51 23.634 0.328 6.364 1121 1HB GLU 51 1HB GLU 51 24.728 3.165 6.654 1122 2HB GLU 51 2HB GLU 51 24.360 2.028 7.959 1123 1HG GLU 51 1HG GLU 51 26.550 1.702 5.847 1124 2HG GLU 51 2HG GLU 51 26.761 2.063 7.558 1125 H VAL 52 H VAL 52 22.730 3.377 4.729 1126 HA VAL 52 HA VAL 52 20.441 3.857 6.465 1127 HB VAL 52 HB VAL 52 21.132 5.021 3.727 1128 1HG1 VAL 52 1HG1 VAL 52 18.756 5.332 4.255 1129 2HG1 VAL 52 2HG1 VAL 52 19.169 5.916 5.882 1130 3HG1 VAL 52 3HG1 VAL 52 19.623 6.859 4.450 1131 1HG2 VAL 52 1HG2 VAL 52 21.666 6.084 6.539 1132 2HG2 VAL 52 2HG2 VAL 52 22.901 5.526 5.391 1133 3HG2 VAL 52 3HG2 VAL 52 21.946 6.964 5.024 1134 H VAL 53 H VAL 53 21.003 2.429 3.188 1135 HA VAL 53 HA VAL 53 18.273 1.985 2.671 1136 HB VAL 53 HB VAL 53 18.767 0.969 0.835 1137 1HG1 VAL 53 1HG1 VAL 53 20.135 3.051 1.021 1138 2HG1 VAL 53 2HG1 VAL 53 21.551 2.029 1.292 1139 3HG1 VAL 53 3HG1 VAL 53 20.659 1.885 -0.218 1140 1HG2 VAL 53 1HG2 VAL 53 20.648 -0.559 0.325 1141 2HG2 VAL 53 2HG2 VAL 53 21.124 -0.515 2.020 1142 3HG2 VAL 53 3HG2 VAL 53 19.532 -1.149 1.557 1143 H ASP 54 H ASP 54 20.728 -0.061 4.282 1144 HA ASP 54 HA ASP 54 19.087 -2.279 4.923 1145 1HB ASP 54 1HB ASP 54 21.543 -2.276 5.149 1146 2HB ASP 54 2HB ASP 54 21.432 -1.118 6.483 1147 H LYS 55 H LYS 55 19.675 0.796 6.734 1148 HA LYS 55 HA LYS 55 18.127 0.161 8.979 1149 1HB LYS 55 1HB LYS 55 19.630 2.118 8.804 1150 2HB LYS 55 2HB LYS 55 18.525 2.870 7.657 1151 1HG LYS 55 1HG LYS 55 18.232 3.908 9.735 1152 2HG LYS 55 2HG LYS 55 16.759 3.014 9.402 1153 1HD LYS 55 1HD LYS 55 18.926 1.650 11.017 1154 2HD LYS 55 2HD LYS 55 18.101 3.003 11.782 1155 1HE LYS 55 1HE LYS 55 16.682 0.514 10.722 1156 2HE LYS 55 2HE LYS 55 17.086 0.860 12.402 1157 1HZ LYS 55 1HZ LYS 55 15.246 2.400 10.719 1158 2HZ LYS 55 2HZ LYS 55 14.865 1.429 11.982 1159 3HZ LYS 55 3HZ LYS 55 15.701 2.823 12.249 1160 H VAL 56 H VAL 56 17.061 1.811 5.901 1161 HA VAL 56 HA VAL 56 14.333 1.872 6.820 1162 HB VAL 56 HB VAL 56 13.590 2.341 4.601 1163 1HG1 VAL 56 1HG1 VAL 56 16.055 3.949 5.396 1164 2HG1 VAL 56 2HG1 VAL 56 14.716 4.499 4.368 1165 3HG1 VAL 56 3HG1 VAL 56 14.424 4.136 6.077 1166 1HG2 VAL 56 1HG2 VAL 56 15.185 0.982 3.255 1167 2HG2 VAL 56 2HG2 VAL 56 15.120 2.674 2.734 1168 3HG2 VAL 56 3HG2 VAL 56 16.466 2.121 3.740 1169 H MET 57 H MET 57 16.155 -0.639 4.935 1170 HA MET 57 HA MET 57 13.894 -2.261 4.526 1171 1HB MET 57 1HB MET 57 15.336 -3.533 3.535 1172 2HB MET 57 2HB MET 57 16.687 -2.583 4.133 1173 1HG MET 57 1HG MET 57 16.933 -4.066 6.058 1174 2HG MET 57 2HG MET 57 15.465 -4.961 5.611 1175 1HE MET 57 1HE MET 57 15.954 -5.306 2.300 1176 2HE MET 57 2HE MET 57 16.430 -6.993 2.583 1177 3HE MET 57 3HE MET 57 15.123 -6.275 3.537 1178 H GLU 58 H GLU 58 16.097 -2.229 7.340 1179 HA GLU 58 HA GLU 58 14.804 -4.149 8.929 1180 1HB GLU 58 1HB GLU 58 16.996 -3.253 9.454 1181 2HB GLU 58 2HB GLU 58 16.333 -1.636 9.731 1182 1HG GLU 58 1HG GLU 58 15.079 -2.405 11.678 1183 2HG GLU 58 2HG GLU 58 15.488 -4.086 11.314 1184 H THR 59 H THR 59 14.196 -0.668 8.615 1185 HA THR 59 HA THR 59 12.143 -0.379 10.528 1186 HB THR 59 HB THR 59 12.493 1.066 7.873 1187 HG1 THR 59 HG1 THR 59 14.274 1.205 9.235 1188 1HG2 THR 59 1HG2 THR 59 10.280 1.549 8.560 1189 2HG2 THR 59 2HG2 THR 59 10.817 1.878 10.234 1190 3HG2 THR 59 3HG2 THR 59 11.311 2.937 8.888 1191 H LEU 60 H LEU 60 11.936 -1.674 7.172 1192 HA LEU 60 HA LEU 60 8.976 -1.856 7.426 1193 1HB LEU 60 1HB LEU 60 10.601 -2.899 5.111 1194 2HB LEU 60 2HB LEU 60 8.904 -2.454 5.181 1195 HG LEU 60 HG LEU 60 11.128 -0.418 5.383 1196 1HD1 LEU 60 1HD1 LEU 60 10.460 0.134 3.064 1197 2HD1 LEU 60 2HD1 LEU 60 11.175 -1.475 3.221 1198 3HD1 LEU 60 3HD1 LEU 60 9.421 -1.319 3.044 1199 1HD2 LEU 60 1HD2 LEU 60 8.113 -0.180 5.147 1200 2HD2 LEU 60 2HD2 LEU 60 9.122 0.269 6.538 1201 3HD2 LEU 60 3HD2 LEU 60 9.275 1.168 5.020 1202 H ASP 61 H ASP 61 11.784 -3.929 7.594 1203 HA ASP 61 HA ASP 61 10.603 -6.389 6.914 1204 1HB ASP 61 1HB ASP 61 13.004 -6.000 6.838 1205 2HB ASP 61 2HB ASP 61 13.049 -5.812 8.598 1206 H SER 62 H SER 62 8.571 -6.023 8.209 1207 HA SER 62 HA SER 62 8.067 -6.493 10.854 1208 1HB SER 62 1HB SER 62 6.005 -7.641 10.019 1209 2HB SER 62 2HB SER 62 6.368 -6.170 9.090 1210 HG SER 62 HG SER 62 5.926 -7.844 7.661 1211 H ASP 63 H ASP 63 8.797 -8.900 8.411 1212 HA ASP 63 HA ASP 63 8.396 -11.208 9.983 1213 1HB ASP 63 1HB ASP 63 8.585 -10.792 7.418 1214 2HB ASP 63 2HB ASP 63 10.313 -10.991 7.612 1215 H GLY 64 H GLY 64 11.062 -9.074 9.798 1216 1HA GLY 64 1HA GLY 64 13.169 -9.030 10.778 1217 2HA GLY 64 2HA GLY 64 12.556 -10.219 11.937 1218 H ASP 65 H ASP 65 12.950 -10.456 8.381 1219 HA ASP 65 HA ASP 65 14.632 -12.917 8.740 1220 1HB ASP 65 1HB ASP 65 12.314 -13.335 7.960 1221 2HB ASP 65 2HB ASP 65 12.580 -12.242 6.588 1222 H GLY 66 H GLY 66 15.169 -9.865 8.338 1223 1HA GLY 66 1HA GLY 66 16.760 -8.647 7.278 1224 2HA GLY 66 2HA GLY 66 17.289 -10.057 6.337 1225 H GLU 67 H GLU 67 15.599 -10.847 4.747 1226 HA GLU 67 HA GLU 67 15.171 -8.929 2.806 1227 1HB GLU 67 1HB GLU 67 13.671 -11.563 3.160 1228 2HB GLU 67 2HB GLU 67 13.722 -10.539 1.727 1229 1HG GLU 67 1HG GLU 67 15.116 -12.351 1.308 1230 2HG GLU 67 2HG GLU 67 16.124 -10.897 1.454 1231 H CYS 68 H CYS 68 13.517 -7.538 2.291 1232 HA CYS 68 HA CYS 68 11.324 -7.166 4.250 1233 1HB CYS 68 1HB CYS 68 12.173 -5.654 1.747 1234 2HB CYS 68 2HB CYS 68 10.678 -5.296 2.647 1235 HG CYS 68 HG CYS 68 11.828 -5.008 4.995 1236 H ASP 69 H ASP 69 9.289 -8.045 3.976 1237 HA ASP 69 HA ASP 69 8.968 -9.955 1.793 1238 1HB ASP 69 1HB ASP 69 8.297 -10.537 4.080 1239 2HB ASP 69 2HB ASP 69 7.143 -9.184 4.110 1240 H PHE 70 H PHE 70 7.154 -9.900 0.311 1241 HA PHE 70 HA PHE 70 6.680 -7.570 -0.993 1242 1HB PHE 70 1HB PHE 70 5.979 -9.845 -1.785 1243 2HB PHE 70 2HB PHE 70 4.662 -9.808 -0.619 1244 HD1 PHE 70 HD1 PHE 70 5.933 -7.149 -2.985 1245 HD2 PHE 70 HD2 PHE 70 2.681 -9.716 -1.855 1246 HE1 PHE 70 HE1 PHE 70 4.613 -6.276 -4.869 1247 HE2 PHE 70 HE2 PHE 70 1.262 -8.635 -3.592 1248 HZ PHE 70 HZ PHE 70 2.250 -6.952 -5.140 1249 H GLN 71 H GLN 71 4.718 -8.769 1.757 1250 HA GLN 71 HA GLN 71 2.730 -6.769 1.760 1251 1HB GLN 71 1HB GLN 71 2.627 -8.723 3.185 1252 2HB GLN 71 2HB GLN 71 4.085 -8.238 4.068 1253 1HG GLN 71 1HG GLN 71 2.998 -6.342 5.038 1254 2HG GLN 71 2HG GLN 71 1.586 -6.503 3.980 1255 1HE2 GLN 71 2HE2 GLN 71 0.138 -8.372 4.318 1256 2HE2 GLN 71 1HE2 GLN 71 0.081 -9.109 5.923 1257 H GLU 72 H GLU 72 6.088 -6.660 2.960 1258 HA GLU 72 HA GLU 72 5.749 -4.091 4.334 1259 1HB GLU 72 1HB GLU 72 8.293 -5.636 3.711 1260 2HB GLU 72 2HB GLU 72 8.042 -4.356 4.900 1261 1HG GLU 72 1HG GLU 72 6.905 -7.163 5.003 1262 2HG GLU 72 2HG GLU 72 8.013 -6.410 6.127 1263 H PHE 73 H PHE 73 7.147 -5.256 1.288 1264 HA PHE 73 HA PHE 73 7.982 -2.716 0.251 1265 1HB PHE 73 1HB PHE 73 8.589 -4.507 -1.071 1266 2HB PHE 73 2HB PHE 73 7.046 -5.312 -0.929 1267 HD1 PHE 73 HD1 PHE 73 8.974 -2.795 -2.827 1268 HD2 PHE 73 HD2 PHE 73 5.120 -4.692 -2.393 1269 HE1 PHE 73 HE1 PHE 73 8.389 -2.195 -5.170 1270 HE2 PHE 73 HE2 PHE 73 4.490 -3.893 -4.662 1271 HZ PHE 73 HZ PHE 73 6.188 -2.824 -6.115 1272 H MET 74 H MET 74 4.779 -4.367 0.075 1273 HA MET 74 HA MET 74 3.565 -2.244 -1.298 1274 1HB MET 74 1HB MET 74 2.835 -4.805 -0.747 1275 2HB MET 74 2HB MET 74 1.779 -3.945 0.378 1276 1HG MET 74 1HG MET 74 2.058 -3.501 -2.637 1277 2HG MET 74 2HG MET 74 0.735 -4.330 -1.820 1278 1HE MET 74 1HE MET 74 0.308 -2.105 -3.995 1279 2HE MET 74 2HE MET 74 -0.985 -2.992 -3.158 1280 3HE MET 74 3HE MET 74 -1.036 -1.212 -3.256 1281 H ALA 75 H ALA 75 3.718 -2.922 2.185 1282 HA ALA 75 HA ALA 75 2.126 -0.752 3.091 1283 1HB ALA 75 1HB ALA 75 2.923 -2.579 4.550 1284 2HB ALA 75 2HB ALA 75 4.584 -1.960 4.425 1285 3HB ALA 75 3HB ALA 75 3.330 -0.982 5.209 1286 H PHE 76 H PHE 76 5.609 -0.887 2.258 1287 HA PHE 76 HA PHE 76 6.203 1.840 2.991 1288 1HB PHE 76 1HB PHE 76 8.020 0.437 2.846 1289 2HB PHE 76 2HB PHE 76 7.535 -0.271 1.318 1290 HD1 PHE 76 HD1 PHE 76 9.334 2.583 2.869 1291 HD2 PHE 76 HD2 PHE 76 7.987 0.721 -0.799 1292 HE1 PHE 76 HE1 PHE 76 10.770 4.107 1.538 1293 HE2 PHE 76 HE2 PHE 76 9.441 2.226 -2.104 1294 HZ PHE 76 HZ PHE 76 10.792 3.955 -0.962 1295 H VAL 77 H VAL 77 5.435 0.308 -0.142 1296 HA VAL 77 HA VAL 77 5.257 2.635 -1.715 1297 HB VAL 77 HB VAL 77 3.773 -0.003 -1.814 1298 1HG1 VAL 77 1HG1 VAL 77 3.205 0.594 -4.180 1299 2HG1 VAL 77 2HG1 VAL 77 2.399 1.663 -3.031 1300 3HG1 VAL 77 3HG1 VAL 77 3.832 2.232 -3.906 1301 1HG2 VAL 77 1HG2 VAL 77 5.295 -0.507 -3.662 1302 2HG2 VAL 77 2HG2 VAL 77 6.033 1.104 -3.542 1303 3HG2 VAL 77 3HG2 VAL 77 6.250 -0.075 -2.241 1304 H ALA 78 H ALA 78 2.802 1.142 0.464 1305 HA ALA 78 HA ALA 78 0.678 2.831 -0.195 1306 1HB ALA 78 1HB ALA 78 -0.360 2.144 1.867 1307 2HB ALA 78 2HB ALA 78 0.494 0.750 1.187 1308 3HB ALA 78 3HB ALA 78 1.182 1.641 2.563 1309 H MET 79 H MET 79 3.075 3.299 2.479 1310 HA MET 79 HA MET 79 1.918 5.870 3.134 1311 1HB MET 79 1HB MET 79 4.056 6.349 4.341 1312 2HB MET 79 2HB MET 79 3.066 4.993 4.888 1313 1HG MET 79 1HG MET 79 4.594 3.414 3.843 1314 2HG MET 79 2HG MET 79 5.644 4.744 3.287 1315 1HE MET 79 1HE MET 79 7.370 2.708 6.327 1316 2HE MET 79 2HE MET 79 6.110 2.032 5.267 1317 3HE MET 79 3HE MET 79 7.442 3.006 4.572 1318 H ILE 80 H ILE 80 4.624 4.951 0.992 1319 HA ILE 80 HA ILE 80 5.507 7.555 0.306 1320 HB ILE 80 HB ILE 80 5.360 4.951 -1.238 1321 1HG1 ILE 80 1HG1 ILE 80 6.806 5.242 0.927 1322 2HG1 ILE 80 2HG1 ILE 80 7.465 4.443 -0.502 1323 1HG2 ILE 80 1HG2 ILE 80 7.094 5.879 -2.763 1324 2HG2 ILE 80 2HG2 ILE 80 5.502 6.606 -2.955 1325 3HG2 ILE 80 3HG2 ILE 80 6.772 7.491 -2.087 1326 1HD1 ILE 80 1HD1 ILE 80 8.749 6.383 -1.091 1327 2HD1 ILE 80 2HD1 ILE 80 7.949 7.371 0.165 1328 3HD1 ILE 80 3HD1 ILE 80 9.020 6.032 0.621 1329 H THR 81 H THR 81 2.982 5.535 -1.132 1330 HA THR 81 HA THR 81 2.048 7.331 -3.137 1331 HB THR 81 HB THR 81 0.635 5.068 -1.654 1332 HG1 THR 81 HG1 THR 81 2.443 4.389 -2.782 1333 1HG2 THR 81 1HG2 THR 81 -0.867 4.956 -3.553 1334 2HG2 THR 81 2HG2 THR 81 -0.970 6.581 -2.832 1335 3HG2 THR 81 3HG2 THR 81 -0.087 6.339 -4.327 1336 H THR 82 H THR 82 0.920 6.697 0.257 1337 HA THR 82 HA THR 82 -1.257 8.484 0.124 1338 HB THR 82 HB THR 82 0.346 7.628 2.561 1339 HG1 THR 82 HG1 THR 82 -0.529 5.883 1.488 1340 1HG2 THR 82 1HG2 THR 82 -1.093 9.577 3.079 1341 2HG2 THR 82 2HG2 THR 82 -2.479 8.765 2.318 1342 3HG2 THR 82 3HG2 THR 82 -1.743 8.093 3.788 1343 H ALA 83 H ALA 83 2.163 9.104 1.135 1344 HA ALA 83 HA ALA 83 1.784 11.872 1.732 1345 1HB ALA 83 1HB ALA 83 4.215 12.068 1.234 1346 2HB ALA 83 2HB ALA 83 3.811 10.720 2.319 1347 3HB ALA 83 3HB ALA 83 4.199 10.404 0.610 1348 H CYS 84 H CYS 84 2.558 10.242 -1.413 1349 HA CYS 84 HA CYS 84 2.624 12.673 -2.915 1350 1HB CYS 84 1HB CYS 84 3.486 10.647 -3.888 1351 2HB CYS 84 2HB CYS 84 1.869 9.892 -3.873 1352 HG CYS 84 HG CYS 84 2.597 10.741 -6.296 1353 H HIS 85 H HIS 85 -0.127 10.516 -2.115 1354 HA HIS 85 HA HIS 85 -2.140 11.866 -3.561 1355 1HB HIS 85 1HB HIS 85 -2.482 9.658 -2.568 1356 2HB HIS 85 2HB HIS 85 -2.282 10.310 -0.950 1357 HD1 HIS 85 HD1 HIS 85 -4.898 10.174 -3.724 1358 HD2 HIS 85 HD2 HIS 85 -4.281 11.676 0.163 1359 HE1 HIS 85 HE1 HIS 85 -7.173 10.912 -2.844 1360 H GLU 86 H GLU 86 -1.076 12.325 -0.151 1361 HA GLU 86 HA GLU 86 -2.799 14.425 0.562 1362 1HB GLU 86 1HB GLU 86 0.083 13.833 1.361 1363 2HB GLU 86 2HB GLU 86 -0.869 15.118 2.099 1364 1HG GLU 86 1HG GLU 86 -2.548 13.528 2.887 1365 2HG GLU 86 2HG GLU 86 -1.745 12.193 2.067 1366 H PHE 87 H PHE 87 0.358 14.569 -1.132 1367 HA PHE 87 HA PHE 87 0.312 17.408 -1.463 1368 1HB PHE 87 1HB PHE 87 2.395 16.843 -2.001 1369 2HB PHE 87 2HB PHE 87 1.966 15.193 -2.383 1370 HD1 PHE 87 HD1 PHE 87 2.491 14.480 -4.546 1371 HD2 PHE 87 HD2 PHE 87 1.411 18.620 -3.939 1372 HE1 PHE 87 HE1 PHE 87 2.767 14.911 -6.958 1373 HE2 PHE 87 HE2 PHE 87 1.656 19.029 -6.357 1374 HZ PHE 87 HZ PHE 87 2.326 17.181 -7.881 1375 H PHE 88 H PHE 88 -0.539 14.854 -3.749 1376 HA PHE 88 HA PHE 88 -1.206 16.503 -5.885 1377 1HB PHE 88 1HB PHE 88 -0.673 14.007 -5.715 1378 2HB PHE 88 2HB PHE 88 -2.413 13.758 -5.460 1379 HD1 PHE 88 HD1 PHE 88 -3.989 14.807 -7.337 1380 HD2 PHE 88 HD2 PHE 88 0.233 14.088 -7.866 1381 HE1 PHE 88 HE1 PHE 88 -4.315 14.681 -9.784 1382 HE2 PHE 88 HE2 PHE 88 -0.100 13.978 -10.320 1383 HZ PHE 88 HZ PHE 88 -2.377 14.260 -11.284 1384 H GLU 89 H GLU 89 -3.262 15.324 -3.248 1385 HA GLU 89 HA GLU 89 -5.804 16.117 -4.087 1386 1HB GLU 89 1HB GLU 89 -5.569 15.046 -1.966 1387 2HB GLU 89 2HB GLU 89 -4.436 16.266 -1.369 1388 1HG GLU 89 1HG GLU 89 -6.124 17.938 -1.190 1389 2HG GLU 89 2HG GLU 89 -7.259 17.008 -2.176 1390 H HIS 90 H HIS 90 -3.123 18.118 -2.785 1391 HA HIS 90 HA HIS 90 -4.739 20.596 -3.013 1392 1HB HIS 90 1HB HIS 90 -1.927 20.053 -1.993 1393 2HB HIS 90 2HB HIS 90 -2.762 21.613 -1.952 1394 HD1 HIS 90 HD1 HIS 90 -2.971 18.099 -0.320 1395 HD2 HIS 90 HD2 HIS 90 -4.718 21.932 -0.132 1396 HE1 HIS 90 HE1 HIS 90 -4.587 18.086 1.652 1397 H GLU 91 H GLU 91 -4.905 19.945 -5.329 1398 HA GLU 91 HA GLU 91 -2.767 19.992 -7.141 1399 1HB GLU 91 1HB GLU 91 -5.637 20.956 -7.556 1400 2HB GLU 91 2HB GLU 91 -4.477 20.608 -8.847 1401 1HG GLU 91 1HG GLU 91 -4.328 18.249 -8.119 1402 2HG GLU 91 2HG GLU 91 -5.461 18.568 -6.797 1403 1H LYS 62 H1 LYS 62 -27.121 -17.717 17.530 1404 2H LYS 62 H2 LYS 62 -26.564 -17.626 19.075 1405 3H LYS 62 H3 LYS 62 -26.720 -16.254 18.174 1406 HA LYS 62 HA LYS 62 -28.884 -18.002 19.095 1407 1HB LYS 62 1HB LYS 62 -28.165 -15.156 19.926 1408 2HB LYS 62 2HB LYS 62 -29.616 -16.046 20.418 1409 1HG LYS 62 1HG LYS 62 -28.164 -17.797 21.459 1410 2HG LYS 62 2HG LYS 62 -26.731 -16.830 21.042 1411 1HD LYS 62 1HD LYS 62 -27.615 -14.938 22.388 1412 2HD LYS 62 2HD LYS 62 -29.042 -15.906 22.813 1413 1HE LYS 62 1HE LYS 62 -27.573 -17.592 23.906 1414 2HE LYS 62 2HE LYS 62 -26.146 -16.624 23.486 1415 1HZ LYS 62 1HZ LYS 62 -26.861 -16.232 25.716 1416 2HZ LYS 62 2HZ LYS 62 -27.029 -14.857 24.825 1417 3HZ LYS 62 3HZ LYS 62 -28.356 -15.756 25.213 1418 H ARG 63 H ARG 63 -28.284 -14.746 17.673 1419 HA ARG 63 HA ARG 63 -30.963 -14.660 16.526 1420 1HB ARG 63 1HB ARG 63 -28.601 -12.793 16.080 1421 2HB ARG 63 2HB ARG 63 -30.305 -12.467 15.738 1422 1HG ARG 63 1HG ARG 63 -29.002 -12.821 18.480 1423 2HG ARG 63 2HG ARG 63 -29.610 -11.331 17.759 1424 1HD ARG 63 1HD ARG 63 -31.918 -12.280 17.772 1425 2HD ARG 63 2HD ARG 63 -31.291 -13.732 18.597 1426 HE ARG 63 HE ARG 63 -30.461 -11.448 20.045 1427 1HH1 ARG 63 2HH2 ARG 63 -33.425 -13.216 19.297 1428 2HH1 ARG 63 1HH2 ARG 63 -34.243 -12.754 20.764 1429 1HH2 ARG 63 2HH1 ARG 63 -31.510 -10.839 21.969 1430 2HH2 ARG 63 1HH1 ARG 63 -33.130 -11.377 22.312 1431 H LEU 64 H LEU 64 -30.396 -16.824 15.476 1432 HA LEU 64 HA LEU 64 -30.235 -18.075 13.643 1433 1HB LEU 64 1HB LEU 64 -29.967 -15.477 12.058 1434 2HB LEU 64 2HB LEU 64 -29.983 -17.099 11.392 1435 HG LEU 64 HG LEU 64 -32.240 -17.502 12.379 1436 1HD1 LEU 64 1HD1 LEU 64 -32.428 -15.850 14.155 1437 2HD1 LEU 64 2HD1 LEU 64 -32.077 -14.520 13.023 1438 3HD1 LEU 64 3HD1 LEU 64 -33.596 -15.429 12.911 1439 1HD2 LEU 64 1HD2 LEU 64 -31.955 -15.145 10.467 1440 2HD2 LEU 64 2HD2 LEU 64 -31.899 -16.866 10.023 1441 3HD2 LEU 64 3HD2 LEU 64 -33.397 -16.166 10.655 1442 H ARG 65 H ARG 65 -27.851 -15.442 13.176 1443 HA ARG 65 HA ARG 65 -25.649 -15.478 12.571 1444 1HB ARG 65 1HB ARG 65 -25.455 -17.946 14.342 1445 2HB ARG 65 2HB ARG 65 -24.152 -16.851 13.890 1446 1HG ARG 65 1HG ARG 65 -26.506 -16.224 15.726 1447 2HG ARG 65 2HG ARG 65 -24.818 -16.476 16.172 1448 1HD ARG 65 1HD ARG 65 -25.017 -14.150 16.222 1449 2HD ARG 65 2HD ARG 65 -24.274 -14.464 14.643 1450 HE ARG 65 HE ARG 65 -27.207 -14.373 14.630 1451 1HH1 ARG 65 2HH2 ARG 65 -24.344 -12.303 14.458 1452 2HH1 ARG 65 1HH2 ARG 65 -25.160 -11.054 13.556 1453 1HH2 ARG 65 2HH1 ARG 65 -28.239 -12.853 13.499 1454 2HH2 ARG 65 1HH1 ARG 65 -27.464 -11.360 12.988 1455 H ARG 66 H ARG 66 -27.393 -16.644 10.760 1456 HA ARG 66 HA ARG 66 -26.504 -19.290 10.021 1457 1HB ARG 66 1HB ARG 66 -28.230 -19.193 8.365 1458 2HB ARG 66 2HB ARG 66 -28.825 -18.617 9.925 1459 1HG ARG 66 1HG ARG 66 -29.507 -16.676 8.999 1460 2HG ARG 66 2HG ARG 66 -27.865 -16.307 8.481 1461 1HD ARG 66 1HD ARG 66 -28.326 -17.880 6.453 1462 2HD ARG 66 2HD ARG 66 -30.007 -17.860 6.979 1463 HE ARG 66 HE ARG 66 -30.240 -15.729 6.165 1464 1HH1 ARG 66 1HH2 ARG 66 -26.749 -16.430 6.438 1465 2HH1 ARG 66 2HH2 ARG 66 -26.289 -15.033 5.482 1466 1HH2 ARG 66 2HH1 ARG 66 -29.607 -13.882 5.033 1467 2HH2 ARG 66 1HH1 ARG 66 -27.927 -13.520 4.755 1468 H SER 67 H SER 67 -24.193 -18.208 9.929 1469 HA SER 67 HA SER 67 -23.312 -16.885 7.622 1470 1HB SER 67 1HB SER 67 -21.815 -19.067 9.137 1471 2HB SER 67 2HB SER 67 -21.122 -17.710 8.231 1472 HG SER 67 HG SER 67 -22.189 -16.317 9.767 1473 H ALA 68 H ALA 68 -24.006 -20.332 8.153 1474 HA ALA 68 HA ALA 68 -22.970 -21.249 5.605 1475 1HB ALA 68 1HB ALA 68 -24.824 -22.583 7.619 1476 2HB ALA 68 2HB ALA 68 -24.008 -23.378 6.255 1477 3HB ALA 68 3HB ALA 68 -23.050 -22.697 7.584 1478 H HIS 69 H HIS 69 -24.190 -19.375 4.569 1479 HA HIS 69 HA HIS 69 -26.887 -20.228 3.582 1480 1HB HIS 69 1HB HIS 69 -27.231 -17.986 2.887 1481 2HB HIS 69 2HB HIS 69 -26.609 -17.896 4.530 1482 HD1 HIS 69 HD1 HIS 69 -23.740 -17.406 4.549 1483 HD2 HIS 69 HD2 HIS 69 -25.969 -16.616 1.060 1484 HE1 HIS 69 HE1 HIS 69 -22.265 -15.997 3.043 1485 H ALA 70 H ALA 70 -26.854 -19.179 1.080 1486 HA ALA 70 HA ALA 70 -25.164 -21.004 -0.380 1487 1HB ALA 70 1HB ALA 70 -27.492 -20.515 -0.993 1488 2HB ALA 70 2HB ALA 70 -27.041 -18.836 -1.372 1489 3HB ALA 70 3HB ALA 70 -26.372 -20.180 -2.323 1490 H ARG 71 H ARG 71 -23.457 -19.270 0.986 1491 HA ARG 71 HA ARG 71 -21.554 -18.160 0.802 1492 1HB ARG 71 1HB ARG 71 -21.773 -19.468 -1.911 1493 2HB ARG 71 2HB ARG 71 -20.417 -18.414 -1.536 1494 1HG ARG 71 1HG ARG 71 -19.764 -20.662 -1.066 1495 2HG ARG 71 2HG ARG 71 -19.811 -19.729 0.429 1496 1HD ARG 71 1HD ARG 71 -20.688 -21.972 0.775 1497 2HD ARG 71 2HD ARG 71 -21.958 -20.788 1.032 1498 HE ARG 71 HE ARG 71 -21.787 -21.870 -1.696 1499 1HH1 ARG 71 2HH1 ARG 71 -23.505 -22.130 1.398 1500 2HH1 ARG 71 1HH1 ARG 71 -24.321 -23.607 0.966 1501 1HH2 ARG 71 2HH2 ARG 71 -23.087 -23.615 -2.356 1502 2HH2 ARG 71 1HH2 ARG 71 -24.233 -24.336 -1.262 1503 H LYS 72 H LYS 72 -23.827 -16.917 -1.595 1504 HA LYS 72 HA LYS 72 -22.365 -15.029 -2.811 1505 1HB LYS 72 1HB LYS 72 -24.629 -15.629 -3.376 1506 2HB LYS 72 2HB LYS 72 -25.273 -14.737 -1.989 1507 1HG LYS 72 1HG LYS 72 -24.607 -12.629 -2.874 1508 2HG LYS 72 2HG LYS 72 -23.525 -13.342 -4.061 1509 1HD LYS 72 1HD LYS 72 -26.574 -13.550 -4.078 1510 2HD LYS 72 2HD LYS 72 -25.608 -12.437 -5.051 1511 1HE LYS 72 1HE LYS 72 -25.691 -15.477 -5.310 1512 2HE LYS 72 2HE LYS 72 -26.259 -14.268 -6.459 1513 1HZ LYS 72 1HZ LYS 72 -23.980 -13.535 -6.707 1514 2HZ LYS 72 2HZ LYS 72 -23.462 -14.720 -5.688 1515 3HZ LYS 72 3HZ LYS 72 -24.166 -15.119 -7.120 1516 H GLU 73 H GLU 73 -23.629 -14.567 0.516 1517 HA GLU 73 HA GLU 73 -23.136 -11.718 0.545 1518 1HB GLU 73 1HB GLU 73 -23.174 -13.641 2.892 1519 2HB GLU 73 2HB GLU 73 -23.358 -11.891 2.956 1520 1HG GLU 73 1HG GLU 73 -25.479 -11.984 1.763 1521 2HG GLU 73 2HG GLU 73 -25.343 -13.724 1.520 1522 H THR 74 H THR 74 -21.044 -14.487 0.730 1523 HA THR 74 HA THR 74 -18.753 -12.871 1.749 1524 HB THR 74 HB THR 74 -18.033 -15.251 2.451 1525 HG1 THR 74 HG1 THR 74 -19.989 -16.098 1.155 1526 1HG2 THR 74 1HG2 THR 74 -20.477 -13.998 3.783 1527 2HG2 THR 74 2HG2 THR 74 -19.358 -15.157 4.529 1528 3HG2 THR 74 3HG2 THR 74 -18.785 -13.540 4.074 1529 H GLU 75 H GLU 75 -19.888 -14.685 -0.993 1530 HA GLU 75 HA GLU 75 -17.866 -16.191 -1.804 1531 1HB GLU 75 1HB GLU 75 -18.606 -15.908 -4.107 1532 2HB GLU 75 2HB GLU 75 -19.964 -15.968 -2.979 1533 1HG GLU 75 1HG GLU 75 -20.037 -13.410 -3.088 1534 2HG GLU 75 2HG GLU 75 -18.839 -13.503 -4.389 1535 H PHE 76 H PHE 76 -17.866 -12.697 -2.494 1536 HA PHE 76 HA PHE 76 -15.432 -12.594 -3.953 1537 1HB PHE 76 1HB PHE 76 -15.535 -10.129 -2.755 1538 2HB PHE 76 2HB PHE 76 -16.364 -10.582 -4.228 1539 HD1 PHE 76 HD1 PHE 76 -18.785 -10.644 -4.365 1540 HD2 PHE 76 HD2 PHE 76 -16.814 -10.176 -0.558 1541 HE1 PHE 76 HE1 PHE 76 -20.972 -10.569 -3.241 1542 HE2 PHE 76 HE2 PHE 76 -19.019 -10.143 0.572 1543 HZ PHE 76 HZ PHE 76 -21.106 -10.319 -0.773 1544 H LEU 77 H LEU 77 -16.028 -12.444 -0.423 1545 HA LEU 77 HA LEU 77 -13.203 -11.973 0.205 1546 1HB LEU 77 1HB LEU 77 -15.566 -12.822 1.926 1547 2HB LEU 77 2HB LEU 77 -13.929 -12.588 2.538 1548 HG LEU 77 HG LEU 77 -15.576 -10.397 1.216 1549 1HD1 LEU 77 1HD1 LEU 77 -15.867 -9.527 3.495 1550 2HD1 LEU 77 2HD1 LEU 77 -16.572 -11.145 3.340 1551 3HD1 LEU 77 3HD1 LEU 77 -15.006 -10.935 4.155 1552 1HD2 LEU 77 1HD2 LEU 77 -13.872 -8.893 2.266 1553 2HD2 LEU 77 2HD2 LEU 77 -12.920 -10.320 2.715 1554 3HD2 LEU 77 3HD2 LEU 77 -13.182 -9.913 1.005 1555 H ARG 78 H ARG 78 -15.436 -14.763 0.127 1556 HA ARG 78 HA ARG 78 -13.761 -16.736 1.190 1557 1HB ARG 78 1HB ARG 78 -16.208 -16.925 0.531 1558 2HB ARG 78 2HB ARG 78 -15.660 -17.141 -1.139 1559 1HG ARG 78 1HG ARG 78 -14.202 -19.090 -0.223 1560 2HG ARG 78 2HG ARG 78 -15.146 -18.925 1.271 1561 1HD ARG 78 1HD ARG 78 -17.242 -19.228 -0.113 1562 2HD ARG 78 2HD ARG 78 -16.185 -19.424 -1.536 1563 HE ARG 78 HE ARG 78 -15.584 -21.226 0.686 1564 1HH1 ARG 78 2HH2 ARG 78 -17.547 -20.828 -2.231 1565 2HH1 ARG 78 1HH2 ARG 78 -17.817 -22.535 -2.448 1566 1HH2 ARG 78 1HH1 ARG 78 -15.961 -23.450 0.429 1567 2HH2 ARG 78 2HH1 ARG 78 -16.912 -24.048 -0.901 1568 H LEU 79 H LEU 79 -14.133 -15.790 -2.264 1569 HA LEU 79 HA LEU 79 -12.105 -17.491 -3.295 1570 1HB LEU 79 1HB LEU 79 -13.168 -14.801 -4.236 1571 2HB LEU 79 2HB LEU 79 -12.077 -15.803 -5.201 1572 HG LEU 79 HG LEU 79 -14.739 -16.885 -4.188 1573 1HD1 LEU 79 1HD1 LEU 79 -14.167 -15.436 -6.805 1574 2HD1 LEU 79 2HD1 LEU 79 -15.667 -16.301 -6.402 1575 3HD1 LEU 79 3HD1 LEU 79 -15.204 -14.862 -5.480 1576 1HD2 LEU 79 1HD2 LEU 79 -14.472 -18.426 -6.105 1577 2HD2 LEU 79 2HD2 LEU 79 -12.915 -17.674 -6.507 1578 3HD2 LEU 79 3HD2 LEU 79 -13.110 -18.576 -4.990 1579 H LYS 80 H LYS 80 -11.912 -14.101 -2.098 1580 HA LYS 80 HA LYS 80 -9.170 -13.749 -2.763 1581 1HB LYS 80 1HB LYS 80 -10.694 -11.905 -2.291 1582 2HB LYS 80 2HB LYS 80 -10.889 -12.443 -0.626 1583 1HG LYS 80 1HG LYS 80 -9.378 -10.525 -0.845 1584 2HG LYS 80 2HG LYS 80 -8.620 -11.908 -0.068 1585 1HD LYS 80 1HD LYS 80 -7.115 -10.764 -1.610 1586 2HD LYS 80 2HD LYS 80 -7.346 -12.450 -2.077 1587 1HE LYS 80 1HE LYS 80 -8.912 -11.699 -3.884 1588 2HE LYS 80 2HE LYS 80 -8.681 -10.023 -3.362 1589 1HZ LYS 80 1HZ LYS 80 -6.604 -11.829 -4.383 1590 2HZ LYS 80 2HZ LYS 80 -7.281 -10.572 -5.199 1591 3HZ LYS 80 3HZ LYS 80 -6.340 -10.285 -3.874 1592 H ARG 81 H ARG 81 -10.674 -14.809 0.317 1593 HA ARG 81 HA ARG 81 -8.260 -15.245 1.759 1594 1HB ARG 81 1HB ARG 81 -11.007 -16.540 1.975 1595 2HB ARG 81 2HB ARG 81 -9.674 -16.851 3.098 1596 1HG ARG 81 1HG ARG 81 -9.557 -14.450 3.685 1597 2HG ARG 81 2HG ARG 81 -10.858 -14.092 2.543 1598 1HD ARG 81 1HD ARG 81 -11.786 -14.198 4.764 1599 2HD ARG 81 2HD ARG 81 -12.382 -15.590 3.832 1600 HE ARG 81 HE ARG 81 -10.008 -16.327 5.237 1601 1HH1 ARG 81 1HH1 ARG 81 -13.376 -15.510 5.881 1602 2HH1 ARG 81 2HH1 ARG 81 -13.471 -16.421 7.364 1603 1HH2 ARG 81 2HH2 ARG 81 -10.107 -17.535 7.166 1604 2HH2 ARG 81 1HH2 ARG 81 -11.570 -17.593 8.110 1605 H THR 82 H THR 82 -10.139 -17.422 -0.406 1606 HA THR 82 HA THR 82 -8.509 -19.716 0.001 1607 HB THR 82 HB THR 82 -10.023 -18.898 -2.520 1608 HG1 THR 82 HG1 THR 82 -11.350 -18.971 -0.687 1609 1HG2 THR 82 1HG2 THR 82 -9.107 -21.625 -1.507 1610 2HG2 THR 82 2HG2 THR 82 -10.161 -21.340 -2.905 1611 3HG2 THR 82 3HG2 THR 82 -8.478 -20.784 -2.942 1612 H ARG 83 H ARG 83 -8.237 -17.041 -2.413 1613 HA ARG 83 HA ARG 83 -5.854 -18.038 -3.633 1614 1HB ARG 83 1HB ARG 83 -7.212 -15.335 -3.456 1615 2HB ARG 83 2HB ARG 83 -5.693 -15.525 -4.317 1616 1HG ARG 83 1HG ARG 83 -6.612 -17.204 -5.802 1617 2HG ARG 83 2HG ARG 83 -8.116 -17.298 -4.876 1618 1HD ARG 83 1HD ARG 83 -7.161 -14.814 -6.353 1619 2HD ARG 83 2HD ARG 83 -8.327 -16.002 -6.976 1620 HE ARG 83 HE ARG 83 -9.212 -15.171 -4.421 1621 1HH1 ARG 83 2HH1 ARG 83 -8.955 -13.996 -7.784 1622 2HH1 ARG 83 1HH1 ARG 83 -10.257 -12.836 -7.567 1623 1HH2 ARG 83 1HH2 ARG 83 -10.880 -13.481 -4.220 1624 2HH2 ARG 83 2HH2 ARG 83 -11.266 -12.554 -5.664 1625 H LEU 84 H LEU 84 -6.347 -15.925 -0.776 1626 HA LEU 84 HA LEU 84 -3.590 -15.302 -0.349 1627 1HB LEU 84 1HB LEU 84 -5.750 -14.381 0.738 1628 2HB LEU 84 2HB LEU 84 -5.690 -15.761 1.821 1629 HG LEU 84 HG LEU 84 -3.503 -13.656 1.561 1630 1HD1 LEU 84 1HD1 LEU 84 -5.645 -12.718 2.385 1631 2HD1 LEU 84 2HD1 LEU 84 -5.707 -13.974 3.639 1632 3HD1 LEU 84 3HD1 LEU 84 -4.416 -12.753 3.657 1633 1HD2 LEU 84 1HD2 LEU 84 -2.848 -14.534 3.847 1634 2HD2 LEU 84 2HD2 LEU 84 -3.943 -15.907 3.579 1635 3HD2 LEU 84 3HD2 LEU 84 -2.525 -15.652 2.535 1636 H GLY 85 H GLY 85 -5.663 -18.020 0.630 1637 1HA GLY 85 1HA GLY 85 -4.072 -19.303 2.468 1638 2HA GLY 85 2HA GLY 85 -5.263 -20.096 1.429 1639 H LEU 86 H LEU 86 -3.470 -19.304 -1.035 1640 HA LEU 86 HA LEU 86 -2.349 -21.911 -1.161 1641 1HB LEU 86 1HB LEU 86 -1.573 -19.557 -2.914 1642 2HB LEU 86 2HB LEU 86 -1.313 -21.274 -3.234 1643 HG LEU 86 HG LEU 86 -3.910 -19.725 -3.290 1644 1HD1 LEU 86 1HD1 LEU 86 -2.667 -21.728 -5.233 1645 2HD1 LEU 86 2HD1 LEU 86 -4.062 -20.672 -5.530 1646 3HD1 LEU 86 3HD1 LEU 86 -2.439 -19.982 -5.355 1647 1HD2 LEU 86 1HD2 LEU 86 -3.636 -22.760 -3.153 1648 2HD2 LEU 86 2HD2 LEU 86 -4.524 -21.717 -2.014 1649 3HD2 LEU 86 3HD2 LEU 86 -5.096 -21.894 -3.671 1650 H GLU 87 H GLU 87 -0.678 -18.791 -0.513 1651 HA GLU 87 HA GLU 87 1.902 -20.169 -0.332 1652 1HB GLU 87 1HB GLU 87 1.624 -17.810 -1.133 1653 2HB GLU 87 2HB GLU 87 1.238 -17.343 0.543 1654 1HG GLU 87 1HG GLU 87 3.464 -18.132 1.274 1655 2HG GLU 87 2HG GLU 87 3.826 -18.686 -0.368 1656 1H LYS 62 H1 LYS 62 36.934 15.431 9.294 1657 2H LYS 62 H2 LYS 62 36.541 13.839 9.452 1658 3H LYS 62 H3 LYS 62 38.121 14.302 9.475 1659 HA LYS 62 HA LYS 62 37.414 13.763 11.656 1660 1HB LYS 62 1HB LYS 62 37.737 16.775 11.303 1661 2HB LYS 62 2HB LYS 62 37.976 15.872 12.800 1662 1HG LYS 62 1HG LYS 62 39.636 15.615 10.251 1663 2HG LYS 62 2HG LYS 62 40.089 16.457 11.733 1664 1HD LYS 62 1HD LYS 62 39.865 14.265 12.988 1665 2HD LYS 62 2HD LYS 62 39.676 13.445 11.430 1666 1HE LYS 62 1HE LYS 62 42.085 15.111 12.299 1667 2HE LYS 62 2HE LYS 62 42.002 13.344 12.245 1668 1HZ LYS 62 1HZ LYS 62 41.760 15.134 9.931 1669 2HZ LYS 62 2HZ LYS 62 43.068 14.211 10.320 1670 3HZ LYS 62 3HZ LYS 62 41.652 13.489 9.885 1671 H ARG 63 H ARG 63 35.593 16.707 10.607 1672 HA ARG 63 HA ARG 63 33.559 16.172 12.608 1673 1HB ARG 63 1HB ARG 63 34.375 18.466 11.626 1674 2HB ARG 63 2HB ARG 63 33.182 18.161 10.367 1675 1HG ARG 63 1HG ARG 63 32.796 18.502 13.366 1676 2HG ARG 63 2HG ARG 63 32.120 19.466 12.044 1677 1HD ARG 63 1HD ARG 63 30.786 17.372 11.382 1678 2HD ARG 63 2HD ARG 63 31.320 16.656 12.919 1679 HE ARG 63 HE ARG 63 30.184 19.236 13.376 1680 1HH1 ARG 63 2HH2 ARG 63 29.338 15.878 12.600 1681 2HH1 ARG 63 1HH2 ARG 63 27.656 16.067 12.931 1682 1HH2 ARG 63 2HH1 ARG 63 28.004 19.430 14.087 1683 2HH2 ARG 63 1HH1 ARG 63 26.930 18.058 14.014 1684 H LEU 64 H LEU 64 33.115 13.993 11.920 1685 HA LEU 64 HA LEU 64 31.810 13.393 9.393 1686 1HB LEU 64 1HB LEU 64 31.766 11.914 12.052 1687 2HB LEU 64 2HB LEU 64 31.247 11.258 10.499 1688 HG LEU 64 HG LEU 64 34.098 12.105 11.177 1689 1HD1 LEU 64 1HD1 LEU 64 33.362 10.094 12.389 1690 2HD1 LEU 64 2HD1 LEU 64 32.870 9.341 10.857 1691 3HD1 LEU 64 3HD1 LEU 64 34.580 9.708 11.163 1692 1HD2 LEU 64 1HD2 LEU 64 32.935 10.791 8.682 1693 2HD2 LEU 64 2HD2 LEU 64 33.719 12.385 8.777 1694 3HD2 LEU 64 3HD2 LEU 64 34.667 10.921 9.049 1695 H ARG 65 H ARG 65 29.576 12.648 9.220 1696 HA ARG 65 HA ARG 65 27.383 13.313 9.092 1697 1HB ARG 65 1HB ARG 65 27.799 12.393 11.953 1698 2HB ARG 65 2HB ARG 65 26.210 12.747 11.281 1699 1HG ARG 65 1HG ARG 65 26.469 10.454 11.161 1700 2HG ARG 65 2HG ARG 65 26.489 11.060 9.509 1701 1HD ARG 65 1HD ARG 65 29.078 10.496 11.008 1702 2HD ARG 65 2HD ARG 65 28.123 9.176 10.313 1703 HE ARG 65 HE ARG 65 28.421 11.047 8.251 1704 1HH1 ARG 65 2HH2 ARG 65 30.360 8.769 10.132 1705 2HH1 ARG 65 1HH2 ARG 65 31.452 8.406 8.824 1706 1HH2 ARG 65 2HH1 ARG 65 29.814 10.581 6.541 1707 2HH2 ARG 65 1HH1 ARG 65 31.159 9.481 6.745 1708 H ARG 66 H ARG 66 28.374 15.645 8.850 1709 HA ARG 66 HA ARG 66 27.354 17.519 10.902 1710 1HB ARG 66 1HB ARG 66 28.043 19.262 9.286 1711 2HB ARG 66 2HB ARG 66 29.366 18.247 9.857 1712 1HG ARG 66 1HG ARG 66 28.036 17.421 7.290 1713 2HG ARG 66 2HG ARG 66 29.020 18.887 7.257 1714 1HD ARG 66 1HD ARG 66 30.994 17.774 7.938 1715 2HD ARG 66 2HD ARG 66 30.124 16.339 8.467 1716 HE ARG 66 HE ARG 66 29.743 16.889 5.647 1717 1HH1 ARG 66 1HH2 ARG 66 32.026 15.518 7.989 1718 2HH1 ARG 66 2HH2 ARG 66 32.661 14.337 6.871 1719 1HH2 ARG 66 2HH1 ARG 66 30.582 15.359 4.182 1720 2HH2 ARG 66 1HH1 ARG 66 31.840 14.260 4.668 1721 H SER 67 H SER 67 25.684 19.149 10.294 1722 HA SER 67 HA SER 67 23.321 18.024 9.800 1723 1HB SER 67 1HB SER 67 23.981 20.871 8.952 1724 2HB SER 67 2HB SER 67 22.472 20.261 9.659 1725 HG SER 67 HG SER 67 23.598 19.903 11.590 1726 H ALA 68 H ALA 68 25.233 19.672 7.226 1727 HA ALA 68 HA ALA 68 23.411 19.272 5.104 1728 1HB ALA 68 1HB ALA 68 25.351 20.780 4.977 1729 2HB ALA 68 2HB ALA 68 26.459 19.390 5.032 1730 3HB ALA 68 3HB ALA 68 25.371 19.608 3.645 1731 H HIS 69 H HIS 69 25.934 17.119 6.423 1732 HA HIS 69 HA HIS 69 25.809 15.179 4.281 1733 1HB HIS 69 1HB HIS 69 27.792 15.546 5.700 1734 2HB HIS 69 2HB HIS 69 26.905 14.966 7.116 1735 HD1 HIS 69 HD1 HIS 69 25.801 12.612 4.688 1736 HD2 HIS 69 HD2 HIS 69 29.400 13.397 6.722 1737 HE1 HIS 69 HE1 HIS 69 27.189 10.448 4.610 1738 H ALA 70 H ALA 70 24.408 15.523 7.558 1739 HA ALA 70 HA ALA 70 22.992 13.053 7.629 1740 1HB ALA 70 1HB ALA 70 22.254 15.714 8.927 1741 2HB ALA 70 2HB ALA 70 21.620 14.115 9.360 1742 3HB ALA 70 3HB ALA 70 23.340 14.482 9.608 1743 H ARG 71 H ARG 71 21.907 16.333 6.566 1744 HA ARG 71 HA ARG 71 19.340 15.528 5.652 1745 1HB ARG 71 1HB ARG 71 21.187 17.741 4.684 1746 2HB ARG 71 2HB ARG 71 19.525 17.548 4.132 1747 1HG ARG 71 1HG ARG 71 20.298 18.013 7.057 1748 2HG ARG 71 2HG ARG 71 19.847 19.267 5.903 1749 1HD ARG 71 1HD ARG 71 17.877 18.864 7.097 1750 2HD ARG 71 2HD ARG 71 17.649 18.018 5.553 1751 HE ARG 71 HE ARG 71 18.788 16.351 7.652 1752 1HH1 ARG 71 1HH1 ARG 71 15.717 17.648 6.470 1753 2HH1 ARG 71 2HH1 ARG 71 14.790 16.248 6.957 1754 1HH2 ARG 71 2HH2 ARG 71 17.569 14.565 8.347 1755 2HH2 ARG 71 1HH2 ARG 71 15.840 14.524 8.105 1756 H LYS 72 H LYS 72 22.411 15.723 3.805 1757 HA LYS 72 HA LYS 72 21.509 14.860 1.357 1758 1HB LYS 72 1HB LYS 72 23.771 15.653 1.757 1759 2HB LYS 72 2HB LYS 72 24.145 14.224 2.710 1760 1HG LYS 72 1HG LYS 72 25.098 14.111 0.453 1761 2HG LYS 72 2HG LYS 72 24.016 12.768 0.802 1762 1HD LYS 72 1HD LYS 72 23.727 13.595 -1.484 1763 2HD LYS 72 2HD LYS 72 22.237 13.772 -0.562 1764 1HE LYS 72 1HE LYS 72 22.732 16.205 -0.240 1765 2HE LYS 72 2HE LYS 72 24.276 15.998 -1.085 1766 1HZ LYS 72 1HZ LYS 72 21.609 15.577 -2.241 1767 2HZ LYS 72 2HZ LYS 72 22.590 16.872 -2.504 1768 3HZ LYS 72 3HZ LYS 72 23.040 15.379 -3.034 1769 H GLU 73 H GLU 73 22.628 12.781 4.071 1770 HA GLU 73 HA GLU 73 22.060 10.300 2.762 1771 1HB GLU 73 1HB GLU 73 22.324 11.023 5.706 1772 2HB GLU 73 2HB GLU 73 22.173 9.366 5.121 1773 1HG GLU 73 1HG GLU 73 24.391 11.275 4.324 1774 2HG GLU 73 2HG GLU 73 24.535 10.002 5.546 1775 H THR 74 H THR 74 19.685 12.583 3.685 1776 HA THR 74 HA THR 74 17.681 10.409 3.687 1777 HB THR 74 HB THR 74 16.428 11.721 5.153 1778 HG1 THR 74 HG1 THR 74 18.368 13.690 4.826 1779 1HG2 THR 74 1HG2 THR 74 17.690 11.625 7.234 1780 2HG2 THR 74 2HG2 THR 74 18.057 10.218 6.215 1781 3HG2 THR 74 3HG2 THR 74 19.211 11.557 6.340 1782 H GLU 75 H GLU 75 18.899 12.406 1.454 1783 HA GLU 75 HA GLU 75 16.958 14.262 0.757 1784 1HB GLU 75 1HB GLU 75 18.644 12.441 -1.005 1785 2HB GLU 75 2HB GLU 75 17.584 13.696 -1.676 1786 1HG GLU 75 1HG GLU 75 19.651 14.330 0.428 1787 2HG GLU 75 2HG GLU 75 20.025 14.356 -1.307 1788 H PHE 76 H PHE 76 16.863 10.828 0.040 1789 HA PHE 76 HA PHE 76 14.459 10.761 -1.498 1790 1HB PHE 76 1HB PHE 76 14.490 8.331 -0.174 1791 2HB PHE 76 2HB PHE 76 15.275 8.693 -1.702 1792 HD1 PHE 76 HD1 PHE 76 15.819 7.951 1.843 1793 HD2 PHE 76 HD2 PHE 76 17.742 9.256 -1.813 1794 HE1 PHE 76 HE1 PHE 76 18.042 7.808 2.928 1795 HE2 PHE 76 HE2 PHE 76 19.879 9.282 -0.686 1796 HZ PHE 76 HZ PHE 76 20.080 8.472 1.683 1797 H LEU 77 H LEU 77 15.017 10.729 2.027 1798 HA LEU 77 HA LEU 77 12.171 10.490 2.618 1799 1HB LEU 77 1HB LEU 77 14.380 11.435 4.440 1800 2HB LEU 77 2HB LEU 77 12.746 10.968 4.894 1801 HG LEU 77 HG LEU 77 14.906 9.129 3.770 1802 1HD1 LEU 77 1HD1 LEU 77 13.571 9.267 6.504 1803 2HD1 LEU 77 2HD1 LEU 77 14.793 8.084 5.994 1804 3HD1 LEU 77 3HD1 LEU 77 15.224 9.796 6.124 1805 1HD2 LEU 77 1HD2 LEU 77 12.015 8.518 4.557 1806 2HD2 LEU 77 2HD2 LEU 77 12.740 8.322 2.945 1807 3HD2 LEU 77 3HD2 LEU 77 13.264 7.291 4.276 1808 H ARG 78 H ARG 78 14.526 13.165 2.113 1809 HA ARG 78 HA ARG 78 12.873 15.277 2.970 1810 1HB ARG 78 1HB ARG 78 15.285 15.463 2.256 1811 2HB ARG 78 2HB ARG 78 14.706 15.435 0.579 1812 1HG ARG 78 1HG ARG 78 13.250 17.412 1.088 1813 2HG ARG 78 2HG ARG 78 13.928 17.463 2.712 1814 1HD ARG 78 1HD ARG 78 15.036 19.089 1.139 1815 2HD ARG 78 2HD ARG 78 16.141 17.932 1.888 1816 HE ARG 78 HE ARG 78 16.780 17.260 -0.125 1817 1HH1 ARG 78 1HH2 ARG 78 13.501 18.529 -0.545 1818 2HH1 ARG 78 2HH2 ARG 78 13.446 18.202 -2.256 1819 1HH2 ARG 78 2HH1 ARG 78 16.751 16.896 -2.341 1820 2HH2 ARG 78 1HH1 ARG 78 15.341 17.265 -3.305 1821 H LEU 79 H LEU 79 12.945 13.666 -0.258 1822 HA LEU 79 HA LEU 79 10.827 15.242 -1.361 1823 1HB LEU 79 1HB LEU 79 11.813 12.442 -1.991 1824 2HB LEU 79 2HB LEU 79 10.348 13.099 -2.721 1825 HG LEU 79 HG LEU 79 11.646 15.098 -3.518 1826 1HD1 LEU 79 1HD1 LEU 79 14.032 13.379 -2.717 1827 2HD1 LEU 79 2HD1 LEU 79 13.635 14.990 -2.070 1828 3HD1 LEU 79 3HD1 LEU 79 14.111 14.812 -3.760 1829 1HD2 LEU 79 1HD2 LEU 79 12.502 12.367 -4.543 1830 2HD2 LEU 79 2HD2 LEU 79 11.024 13.239 -4.991 1831 3HD2 LEU 79 3HD2 LEU 79 12.606 13.895 -5.437 1832 H LYS 80 H LYS 80 10.623 12.101 0.373 1833 HA LYS 80 HA LYS 80 7.828 11.803 0.375 1834 1HB LYS 80 1HB LYS 80 9.286 10.037 1.065 1835 2HB LYS 80 2HB LYS 80 9.999 11.013 2.340 1836 1HG LYS 80 1HG LYS 80 8.590 9.318 3.266 1837 2HG LYS 80 2HG LYS 80 7.991 10.928 3.684 1838 1HD LYS 80 1HD LYS 80 6.227 10.765 2.023 1839 2HD LYS 80 2HD LYS 80 6.928 9.293 1.334 1840 1HE LYS 80 1HE LYS 80 5.011 8.710 2.740 1841 2HE LYS 80 2HE LYS 80 6.493 8.063 3.446 1842 1HZ LYS 80 1HZ LYS 80 5.080 9.089 5.069 1843 2HZ LYS 80 2HZ LYS 80 6.499 9.918 4.957 1844 3HZ LYS 80 3HZ LYS 80 5.128 10.533 4.276 1845 H ARG 81 H ARG 81 9.839 13.379 2.851 1846 HA ARG 81 HA ARG 81 7.893 14.371 4.607 1847 1HB ARG 81 1HB ARG 81 10.572 15.539 3.775 1848 2HB ARG 81 2HB ARG 81 9.609 16.151 5.117 1849 1HG ARG 81 1HG ARG 81 9.880 14.119 6.385 1850 2HG ARG 81 2HG ARG 81 10.625 13.282 5.028 1851 1HD ARG 81 1HD ARG 81 12.427 15.131 5.069 1852 2HD ARG 81 2HD ARG 81 11.759 15.611 6.620 1853 HE ARG 81 HE ARG 81 12.201 13.225 7.349 1854 1HH1 ARG 81 1HH1 ARG 81 14.309 14.634 4.805 1855 2HH1 ARG 81 2HH1 ARG 81 15.743 13.862 5.421 1856 1HH2 ARG 81 1HH2 ARG 81 14.068 12.162 8.028 1857 2HH2 ARG 81 2HH2 ARG 81 15.579 12.383 7.184 1858 H THR 82 H THR 82 9.289 15.904 1.638 1859 HA THR 82 HA THR 82 7.775 18.306 1.864 1860 HB THR 82 HB THR 82 8.884 17.008 -0.661 1861 HG1 THR 82 HG1 THR 82 10.475 17.341 0.909 1862 1HG2 THR 82 1HG2 THR 82 8.178 19.904 -0.009 1863 2HG2 THR 82 2HG2 THR 82 9.002 19.343 -1.477 1864 3HG2 THR 82 3HG2 THR 82 7.324 18.865 -1.171 1865 H ARG 83 H ARG 83 7.084 15.259 -0.007 1866 HA ARG 83 HA ARG 83 4.714 16.301 -1.180 1867 1HB ARG 83 1HB ARG 83 5.743 13.474 -0.693 1868 2HB ARG 83 2HB ARG 83 4.204 13.820 -1.495 1869 1HG ARG 83 1HG ARG 83 5.377 15.270 -3.140 1870 2HG ARG 83 2HG ARG 83 6.931 14.820 -2.425 1871 1HD ARG 83 1HD ARG 83 4.955 12.826 -3.661 1872 2HD ARG 83 2HD ARG 83 6.261 13.606 -4.525 1873 HE ARG 83 HE ARG 83 7.893 12.434 -3.419 1874 1HH1 ARG 83 1HH1 ARG 83 4.750 11.480 -2.130 1875 2HH1 ARG 83 2HH1 ARG 83 5.229 9.872 -1.682 1876 1HH2 ARG 83 1HH2 ARG 83 8.613 10.461 -2.801 1877 2HH2 ARG 83 2HH2 ARG 83 7.611 9.362 -1.873 1878 H LEU 84 H LEU 84 5.203 14.520 1.916 1879 HA LEU 84 HA LEU 84 2.353 14.563 2.545 1880 1HB LEU 84 1HB LEU 84 3.970 13.021 3.536 1881 2HB LEU 84 2HB LEU 84 4.814 14.340 4.344 1882 HG LEU 84 HG LEU 84 1.850 14.024 4.838 1883 1HD1 LEU 84 1HD1 LEU 84 2.273 12.336 6.590 1884 2HD1 LEU 84 2HD1 LEU 84 2.678 11.714 4.984 1885 3HD1 LEU 84 3HD1 LEU 84 3.974 12.231 6.086 1886 1HD2 LEU 84 1HD2 LEU 84 2.494 14.701 7.132 1887 2HD2 LEU 84 2HD2 LEU 84 4.205 14.709 6.663 1888 3HD2 LEU 84 3HD2 LEU 84 3.077 15.885 5.963 1889 H GLY 85 H GLY 85 5.133 16.644 3.154 1890 1HA GLY 85 1HA GLY 85 4.179 18.454 5.006 1891 2HA GLY 85 2HA GLY 85 5.473 18.750 3.834 1892 H LEU 86 H LEU 86 3.395 18.308 1.590 1893 HA LEU 86 HA LEU 86 2.533 20.896 1.051 1894 1HB LEU 86 1HB LEU 86 2.247 18.491 -0.206 1895 2HB LEU 86 2HB LEU 86 0.616 18.670 0.427 1896 HG LEU 86 HG LEU 86 0.557 19.534 -1.770 1897 1HD1 LEU 86 1HD1 LEU 86 -0.006 21.833 -1.632 1898 2HD1 LEU 86 2HD1 LEU 86 -0.540 21.043 -0.138 1899 3HD1 LEU 86 3HD1 LEU 86 0.921 22.063 -0.142 1900 1HD2 LEU 86 1HD2 LEU 86 3.088 21.115 -1.226 1901 2HD2 LEU 86 2HD2 LEU 86 2.958 19.613 -2.171 1902 3HD2 LEU 86 3HD2 LEU 86 2.150 21.082 -2.736 1903 H GLU 87 H GLU 87 1.065 18.406 3.136 1904 HA GLU 87 HA GLU 87 -1.028 20.291 4.119 1905 1HB GLU 87 1HB GLU 87 -0.449 17.351 4.704 1906 2HB GLU 87 2HB GLU 87 -1.690 18.331 5.504 1907 1HG GLU 87 1HG GLU 87 -2.769 18.783 3.327 1908 2HG GLU 87 2HG GLU 87 -1.547 17.803 2.497 Start of MODEL 5 1 1H SER 1 1H SER 1 7.839 5.830 -14.236 2 2H SER 1 2H SER 1 9.481 5.989 -14.040 3 3H SER 1 3H SER 1 8.500 5.855 -12.723 4 HA SER 1 HA SER 1 8.986 3.824 -14.775 5 1HB SER 1 1HB SER 1 9.816 3.911 -11.888 6 2HB SER 1 2HB SER 1 10.286 2.652 -13.061 7 HG SER 1 HG SER 1 11.927 4.253 -12.744 8 H GLU 2 H GLU 2 8.315 1.616 -13.935 9 HA GLU 2 HA GLU 2 5.651 1.429 -14.040 10 1HB GLU 2 1HB GLU 2 7.373 -0.575 -12.525 11 2HB GLU 2 2HB GLU 2 5.821 -0.877 -13.322 12 1HG GLU 2 1HG GLU 2 8.499 -0.261 -14.636 13 2HG GLU 2 2HG GLU 2 7.551 -1.740 -14.727 14 H LEU 3 H LEU 3 7.342 1.205 -10.836 15 HA LEU 3 HA LEU 3 4.913 0.860 -9.366 16 1HB LEU 3 1HB LEU 3 7.429 2.240 -8.379 17 2HB LEU 3 2HB LEU 3 6.094 1.609 -7.398 18 HG LEU 3 HG LEU 3 8.057 -0.020 -9.052 19 1HD1 LEU 3 1HD1 LEU 3 8.722 -0.899 -6.867 20 2HD1 LEU 3 2HD1 LEU 3 8.831 0.868 -6.821 21 3HD1 LEU 3 3HD1 LEU 3 7.459 0.050 -6.058 22 1HD2 LEU 3 1HD2 LEU 3 5.933 -1.167 -9.253 23 2HD2 LEU 3 2HD2 LEU 3 5.626 -0.931 -7.513 24 3HD2 LEU 3 3HD2 LEU 3 6.918 -2.012 -8.052 25 H GLU 4 H GLU 4 6.647 3.858 -10.305 26 HA GLU 4 HA GLU 4 4.934 5.653 -8.874 27 1HB GLU 4 1HB GLU 4 6.608 6.097 -11.363 28 2HB GLU 4 2HB GLU 4 5.884 7.374 -10.382 29 1HG GLU 4 1HG GLU 4 7.225 6.779 -8.444 30 2HG GLU 4 2HG GLU 4 7.836 5.337 -9.232 31 H LYS 5 H LYS 5 4.855 4.267 -12.149 32 HA LYS 5 HA LYS 5 2.663 5.874 -13.124 33 1HB LYS 5 1HB LYS 5 3.707 3.179 -14.042 34 2HB LYS 5 2HB LYS 5 2.447 4.099 -14.866 35 1HG LYS 5 1HG LYS 5 5.304 5.049 -14.400 36 2HG LYS 5 2HG LYS 5 4.634 4.422 -15.911 37 1HD LYS 5 1HD LYS 5 2.915 6.333 -15.787 38 2HD LYS 5 2HD LYS 5 3.906 7.030 -14.494 39 1HE LYS 5 1HE LYS 5 4.836 6.428 -17.339 40 2HE LYS 5 2HE LYS 5 4.454 8.023 -16.673 41 1HZ LYS 5 1HZ LYS 5 6.608 6.256 -15.758 42 2HZ LYS 5 2HZ LYS 5 6.785 7.628 -16.650 43 3HZ LYS 5 3HZ LYS 5 6.236 7.722 -15.099 44 H ALA 6 H ALA 6 2.803 2.556 -11.816 45 HA ALA 6 HA ALA 6 0.048 1.980 -11.731 46 1HB ALA 6 1HB ALA 6 1.813 0.350 -11.252 47 2HB ALA 6 2HB ALA 6 2.285 1.235 -9.794 48 3HB ALA 6 3HB ALA 6 0.697 0.443 -9.869 49 H VAL 7 H VAL 7 2.110 3.591 -9.268 50 HA VAL 7 HA VAL 7 0.069 4.129 -7.404 51 HB VAL 7 HB VAL 7 2.771 5.353 -7.991 52 1HG1 VAL 7 1HG1 VAL 7 1.670 7.270 -7.219 53 2HG1 VAL 7 2HG1 VAL 7 0.710 6.370 -6.030 54 3HG1 VAL 7 3HG1 VAL 7 2.446 6.592 -5.781 55 1HG2 VAL 7 1HG2 VAL 7 3.299 4.338 -5.810 56 2HG2 VAL 7 2HG2 VAL 7 1.615 3.803 -5.638 57 3HG2 VAL 7 3HG2 VAL 7 2.628 3.116 -6.902 58 H VAL 8 H VAL 8 1.277 6.416 -10.017 59 HA VAL 8 HA VAL 8 -0.647 8.356 -9.152 60 HB VAL 8 HB VAL 8 -0.190 9.633 -11.116 61 1HG1 VAL 8 1HG1 VAL 8 2.187 10.050 -10.705 62 2HG1 VAL 8 2HG1 VAL 8 1.319 9.774 -9.186 63 3HG1 VAL 8 3HG1 VAL 8 2.350 8.501 -9.864 64 1HG2 VAL 8 1HG2 VAL 8 1.465 8.929 -12.795 65 2HG2 VAL 8 2HG2 VAL 8 1.514 7.323 -12.055 66 3HG2 VAL 8 3HG2 VAL 8 0.028 7.894 -12.833 67 H ALA 9 H ALA 9 -0.860 5.688 -11.523 68 HA ALA 9 HA ALA 9 -3.437 6.368 -12.539 69 1HB ALA 9 1HB ALA 9 -2.277 3.602 -12.001 70 2HB ALA 9 2HB ALA 9 -3.690 3.981 -13.002 71 3HB ALA 9 3HB ALA 9 -2.078 4.555 -13.487 72 H LEU 10 H LEU 10 -2.506 4.398 -9.626 73 HA LEU 10 HA LEU 10 -5.110 3.822 -8.730 74 1HB LEU 10 1HB LEU 10 -2.645 3.085 -7.962 75 2HB LEU 10 2HB LEU 10 -2.823 4.435 -6.849 76 HG LEU 10 HG LEU 10 -5.144 3.228 -6.299 77 1HD1 LEU 10 1HD1 LEU 10 -4.818 1.515 -8.142 78 2HD1 LEU 10 2HD1 LEU 10 -3.399 0.911 -7.272 79 3HD1 LEU 10 3HD1 LEU 10 -5.002 0.790 -6.528 80 1HD2 LEU 10 1HD2 LEU 10 -2.387 2.249 -5.454 81 2HD2 LEU 10 2HD2 LEU 10 -3.297 3.583 -4.712 82 3HD2 LEU 10 3HD2 LEU 10 -3.891 1.916 -4.553 83 H ILE 11 H ILE 11 -2.973 6.572 -7.911 84 HA ILE 11 HA ILE 11 -4.752 7.887 -6.127 85 HB ILE 11 HB ILE 11 -2.472 8.888 -7.855 86 1HG1 ILE 11 1HG1 ILE 11 -2.657 8.494 -4.838 87 2HG1 ILE 11 2HG1 ILE 11 -2.091 7.218 -5.922 88 1HG2 ILE 11 1HG2 ILE 11 -2.490 10.935 -6.445 89 2HG2 ILE 11 2HG2 ILE 11 -3.939 10.801 -7.420 90 3HG2 ILE 11 3HG2 ILE 11 -4.004 10.397 -5.693 91 1HD1 ILE 11 1HD1 ILE 11 -0.198 8.370 -4.980 92 2HD1 ILE 11 2HD1 ILE 11 -0.271 8.673 -6.729 93 3HD1 ILE 11 3HD1 ILE 11 -0.762 9.931 -5.583 94 H ASP 12 H ASP 12 -4.236 8.424 -9.669 95 HA ASP 12 HA ASP 12 -6.102 10.538 -9.895 96 1HB ASP 12 1HB ASP 12 -4.434 10.010 -11.616 97 2HB ASP 12 2HB ASP 12 -5.231 8.470 -11.960 98 H VAL 13 H VAL 13 -6.514 7.029 -10.520 99 HA VAL 13 HA VAL 13 -9.259 7.071 -11.204 100 HB VAL 13 HB VAL 13 -7.475 4.953 -9.910 101 1HG1 VAL 13 1HG1 VAL 13 -9.787 4.354 -9.337 102 2HG1 VAL 13 2HG1 VAL 13 -10.298 4.642 -11.016 103 3HG1 VAL 13 3HG1 VAL 13 -9.175 3.318 -10.632 104 1HG2 VAL 13 1HG2 VAL 13 -7.025 5.808 -12.309 105 2HG2 VAL 13 2HG2 VAL 13 -7.387 4.087 -12.177 106 3HG2 VAL 13 3HG2 VAL 13 -8.639 5.225 -12.726 107 H PHE 14 H PHE 14 -7.707 6.468 -8.025 108 HA PHE 14 HA PHE 14 -9.988 6.315 -6.425 109 1HB PHE 14 1HB PHE 14 -7.719 5.886 -5.631 110 2HB PHE 14 2HB PHE 14 -7.276 7.568 -5.857 111 HD1 PHE 14 HD1 PHE 14 -9.294 5.268 -3.782 112 HD2 PHE 14 HD2 PHE 14 -7.973 9.344 -4.325 113 HE1 PHE 14 HE1 PHE 14 -9.977 5.814 -1.459 114 HE2 PHE 14 HE2 PHE 14 -8.666 9.869 -2.024 115 HZ PHE 14 HZ PHE 14 -9.727 8.111 -0.602 116 H HIS 15 H HIS 15 -8.157 9.280 -7.343 117 HA HIS 15 HA HIS 15 -9.727 11.171 -6.002 118 1HB HIS 15 1HB HIS 15 -7.639 11.838 -6.838 119 2HB HIS 15 2HB HIS 15 -7.989 11.300 -8.471 120 HD1 HIS 15 HD1 HIS 15 -9.321 12.931 -10.078 121 HD2 HIS 15 HD2 HIS 15 -8.662 14.282 -6.143 122 HE1 HIS 15 HE1 HIS 15 -9.917 15.408 -10.040 123 H GLN 16 H GLN 16 -10.170 9.885 -9.364 124 HA GLN 16 HA GLN 16 -12.368 11.542 -10.011 125 1HB GLN 16 1HB GLN 16 -12.016 8.637 -10.888 126 2HB GLN 16 2HB GLN 16 -13.057 9.850 -11.632 127 1HG GLN 16 1HG GLN 16 -10.037 9.712 -11.676 128 2HG GLN 16 2HG GLN 16 -11.152 9.709 -13.025 129 1HE2 GLN 16 1HE2 GLN 16 -12.601 11.801 -13.140 130 2HE2 GLN 16 2HE2 GLN 16 -11.742 13.300 -12.832 131 H TYR 17 H TYR 17 -12.483 8.335 -8.399 132 HA TYR 17 HA TYR 17 -15.381 8.418 -8.095 133 1HB TYR 17 1HB TYR 17 -13.186 6.750 -6.854 134 2HB TYR 17 2HB TYR 17 -14.868 6.601 -6.352 135 HD1 TYR 17 HD1 TYR 17 -16.423 5.298 -7.565 136 HD2 TYR 17 HD2 TYR 17 -12.627 6.294 -9.341 137 HE1 TYR 17 HE1 TYR 17 -16.781 3.588 -9.328 138 HE2 TYR 17 HE2 TYR 17 -12.988 4.582 -11.086 139 HH TYR 17 HH TYR 17 -15.933 2.563 -11.177 140 H SER 18 H SER 18 -12.695 8.987 -5.805 141 HA SER 18 HA SER 18 -14.169 9.626 -3.498 142 1HB SER 18 1HB SER 18 -11.433 10.625 -4.372 143 2HB SER 18 2HB SER 18 -12.071 10.592 -2.720 144 HG SER 18 HG SER 18 -11.304 8.473 -4.389 145 H GLY 19 H GLY 19 -13.329 11.705 -6.261 146 1HA GLY 19 1HA GLY 19 -13.890 14.238 -5.159 147 2HA GLY 19 2HA GLY 19 -14.107 13.752 -6.850 148 H ARG 20 H ARG 20 -16.092 11.584 -6.160 149 HA ARG 20 HA ARG 20 -18.365 13.358 -6.438 150 1HB ARG 20 1HB ARG 20 -18.433 10.338 -6.174 151 2HB ARG 20 2HB ARG 20 -19.644 11.433 -6.846 152 1HG ARG 20 1HG ARG 20 -17.321 12.001 -8.360 153 2HG ARG 20 2HG ARG 20 -17.204 10.271 -8.061 154 1HD ARG 20 1HD ARG 20 -19.421 11.820 -9.436 155 2HD ARG 20 2HD ARG 20 -18.404 10.567 -10.144 156 HE ARG 20 HE ARG 20 -20.846 10.278 -8.604 157 1HH1 ARG 20 1HH2 ARG 20 -17.846 8.561 -9.379 158 2HH1 ARG 20 2HH2 ARG 20 -18.547 6.976 -9.108 159 1HH2 ARG 20 2HH1 ARG 20 -21.709 8.256 -8.171 160 2HH2 ARG 20 1HH1 ARG 20 -20.761 6.808 -8.354 161 H GLU 21 H GLU 21 -17.437 10.880 -3.976 162 HA GLU 21 HA GLU 21 -18.896 12.426 -1.935 163 1HB GLU 21 1HB GLU 21 -19.525 9.503 -2.391 164 2HB GLU 21 2HB GLU 21 -20.104 10.520 -1.072 165 1HG GLU 21 1HG GLU 21 -21.242 11.989 -2.769 166 2HG GLU 21 2HG GLU 21 -20.758 10.847 -4.037 167 H GLY 22 H GLY 22 -17.463 12.763 -0.460 168 1HA GLY 22 1HA GLY 22 -16.087 11.933 1.353 169 2HA GLY 22 2HA GLY 22 -15.400 10.721 0.283 170 H ASP 23 H ASP 23 -16.039 13.920 -0.954 171 HA ASP 23 HA ASP 23 -14.736 15.560 -1.762 172 1HB ASP 23 1HB ASP 23 -15.412 16.223 0.519 173 2HB ASP 23 2HB ASP 23 -13.916 15.527 1.167 174 H LYS 24 H LYS 24 -13.512 13.553 -2.758 175 HA LYS 24 HA LYS 24 -11.714 12.972 -3.853 176 1HB LYS 24 1HB LYS 24 -9.917 14.466 -4.307 177 2HB LYS 24 2HB LYS 24 -11.522 15.152 -4.562 178 1HG LYS 24 1HG LYS 24 -11.301 16.589 -2.630 179 2HG LYS 24 2HG LYS 24 -9.861 15.727 -2.085 180 1HD LYS 24 1HD LYS 24 -9.258 17.863 -3.109 181 2HD LYS 24 2HD LYS 24 -8.577 16.509 -4.011 182 1HE LYS 24 1HE LYS 24 -9.456 18.254 -5.509 183 2HE LYS 24 2HE LYS 24 -10.308 16.729 -5.747 184 1HZ LYS 24 1HZ LYS 24 -11.796 18.589 -5.656 185 2HZ LYS 24 2HZ LYS 24 -12.083 17.580 -4.386 186 3HZ LYS 24 3HZ LYS 24 -11.277 18.997 -4.144 187 H HIS 25 H HIS 25 -10.778 13.807 -0.525 188 HA HIS 25 HA HIS 25 -8.409 12.101 -0.579 189 1HB HIS 25 1HB HIS 25 -9.980 13.274 1.745 190 2HB HIS 25 2HB HIS 25 -8.367 12.560 1.825 191 HD1 HIS 25 HD1 HIS 25 -7.963 14.515 -1.140 192 HD2 HIS 25 HD2 HIS 25 -8.562 15.389 2.942 193 HE1 HIS 25 HE1 HIS 25 -7.162 16.904 -0.769 194 H LYS 26 H LYS 26 -11.885 11.514 -0.057 195 HA LYS 26 HA LYS 26 -11.203 8.840 1.008 196 1HB LYS 26 1HB LYS 26 -13.585 10.427 1.978 197 2HB LYS 26 2HB LYS 26 -12.825 9.006 2.698 198 1HG LYS 26 1HG LYS 26 -10.791 10.537 3.182 199 2HG LYS 26 2HG LYS 26 -11.824 11.881 2.660 200 1HD LYS 26 1HD LYS 26 -13.498 11.264 4.361 201 2HD LYS 26 2HD LYS 26 -12.485 9.917 4.911 202 1HE LYS 26 1HE LYS 26 -10.707 11.528 5.564 203 2HE LYS 26 2HE LYS 26 -11.704 12.872 4.966 204 1HZ LYS 26 1HZ LYS 26 -11.927 12.632 7.305 205 2HZ LYS 26 2HZ LYS 26 -13.364 12.263 6.587 206 3HZ LYS 26 3HZ LYS 26 -12.401 11.065 7.177 207 H LEU 27 H LEU 27 -12.766 7.214 0.664 208 HA LEU 27 HA LEU 27 -14.750 7.716 -1.544 209 1HB LEU 27 1HB LEU 27 -13.327 5.224 -0.547 210 2HB LEU 27 2HB LEU 27 -14.724 5.152 -1.630 211 HG LEU 27 HG LEU 27 -12.162 6.611 -2.317 212 1HD1 LEU 27 1HD1 LEU 27 -11.741 4.179 -1.994 213 2HD1 LEU 27 2HD1 LEU 27 -13.101 3.810 -3.078 214 3HD1 LEU 27 3HD1 LEU 27 -11.651 4.607 -3.715 215 1HD2 LEU 27 1HD2 LEU 27 -14.420 5.580 -4.094 216 2HD2 LEU 27 2HD2 LEU 27 -14.203 7.283 -3.638 217 3HD2 LEU 27 3HD2 LEU 27 -12.971 6.468 -4.608 218 H LYS 28 H LYS 28 -16.733 8.137 -0.624 219 HA LYS 28 HA LYS 28 -17.601 6.960 1.864 220 1HB LYS 28 1HB LYS 28 -18.470 9.028 0.810 221 2HB LYS 28 2HB LYS 28 -19.301 8.039 -0.397 222 1HG LYS 28 1HG LYS 28 -20.907 7.352 1.099 223 2HG LYS 28 2HG LYS 28 -19.791 7.306 2.479 224 1HD LYS 28 1HD LYS 28 -19.756 9.725 2.654 225 2HD LYS 28 2HD LYS 28 -20.845 9.887 1.262 226 1HE LYS 28 1HE LYS 28 -21.513 8.504 3.908 227 2HE LYS 28 2HE LYS 28 -22.005 10.138 3.445 228 1HZ LYS 28 1HZ LYS 28 -22.793 7.683 2.044 229 2HZ LYS 28 2HZ LYS 28 -23.744 8.591 3.038 230 3HZ LYS 28 3HZ LYS 28 -23.213 9.216 1.609 231 H LYS 29 H LYS 29 -19.006 5.131 2.201 232 HA LYS 29 HA LYS 29 -18.255 2.875 0.772 233 1HB LYS 29 1HB LYS 29 -20.408 1.796 1.727 234 2HB LYS 29 2HB LYS 29 -19.096 2.273 2.769 235 1HG LYS 29 1HG LYS 29 -21.273 2.795 3.709 236 2HG LYS 29 2HG LYS 29 -20.298 4.244 3.532 237 1HD LYS 29 1HD LYS 29 -21.640 4.960 1.607 238 2HD LYS 29 2HD LYS 29 -22.429 3.373 1.513 239 1HE LYS 29 1HE LYS 29 -23.898 5.074 2.540 240 2HE LYS 29 2HE LYS 29 -23.541 3.757 3.667 241 1HZ LYS 29 1HZ LYS 29 -21.915 5.142 4.705 242 2HZ LYS 29 2HZ LYS 29 -22.190 6.365 3.636 243 3HZ LYS 29 3HZ LYS 29 -23.372 5.908 4.690 244 H SER 30 H SER 30 -20.763 5.050 -0.328 245 HA SER 30 HA SER 30 -22.033 3.347 -2.236 246 1HB SER 30 1HB SER 30 -22.201 5.815 -3.274 247 2HB SER 30 2HB SER 30 -23.094 5.389 -1.802 248 HG SER 30 HG SER 30 -21.744 7.375 -1.709 249 H GLU 31 H GLU 31 -19.186 5.521 -2.259 250 HA GLU 31 HA GLU 31 -18.560 5.135 -5.060 251 1HB GLU 31 1HB GLU 31 -16.764 6.238 -2.865 252 2HB GLU 31 2HB GLU 31 -16.599 6.436 -4.616 253 1HG GLU 31 1HG GLU 31 -18.809 7.529 -2.852 254 2HG GLU 31 2HG GLU 31 -17.532 8.469 -3.639 255 H LEU 32 H LEU 32 -17.245 3.997 -1.948 256 HA LEU 32 HA LEU 32 -15.137 2.427 -2.907 257 1HB LEU 32 1HB LEU 32 -15.848 3.150 -0.515 258 2HB LEU 32 2HB LEU 32 -16.885 1.712 -0.528 259 HG LEU 32 HG LEU 32 -14.850 1.398 0.709 260 1HD1 LEU 32 1HD1 LEU 32 -14.647 -0.288 -1.789 261 2HD1 LEU 32 2HD1 LEU 32 -14.165 -0.719 -0.139 262 3HD1 LEU 32 3HD1 LEU 32 -15.885 -0.526 -0.533 263 1HD2 LEU 32 1HD2 LEU 32 -13.346 2.920 -0.517 264 2HD2 LEU 32 2HD2 LEU 32 -12.636 1.322 -0.246 265 3HD2 LEU 32 3HD2 LEU 32 -13.249 1.742 -1.851 266 H LYS 33 H LYS 33 -18.583 1.542 -2.322 267 HA LYS 33 HA LYS 33 -18.464 -1.137 -3.203 268 1HB LYS 33 1HB LYS 33 -20.344 -0.220 -2.012 269 2HB LYS 33 2HB LYS 33 -20.662 0.963 -3.258 270 1HG LYS 33 1HG LYS 33 -21.230 -0.912 -4.859 271 2HG LYS 33 2HG LYS 33 -20.889 -2.071 -3.557 272 1HD LYS 33 1HD LYS 33 -22.683 -0.931 -2.184 273 2HD LYS 33 2HD LYS 33 -23.037 0.101 -3.579 274 1HE LYS 33 1HE LYS 33 -23.521 -1.971 -4.937 275 2HE LYS 33 2HE LYS 33 -23.228 -2.953 -3.485 276 1HZ LYS 33 1HZ LYS 33 -25.524 -2.575 -3.745 277 2HZ LYS 33 2HZ LYS 33 -25.010 -1.756 -2.425 278 3HZ LYS 33 3HZ LYS 33 -25.331 -0.933 -3.819 279 H GLU 34 H GLU 34 -19.437 1.742 -5.234 280 HA GLU 34 HA GLU 34 -19.665 0.045 -7.523 281 1HB GLU 34 1HB GLU 34 -19.682 2.078 -8.904 282 2HB GLU 34 2HB GLU 34 -20.834 2.133 -7.563 283 1HG GLU 34 1HG GLU 34 -19.440 3.619 -6.315 284 2HG GLU 34 2HG GLU 34 -18.092 3.466 -7.439 285 H LEU 35 H LEU 35 -16.956 1.911 -6.253 286 HA LEU 35 HA LEU 35 -15.042 1.600 -8.285 287 1HB LEU 35 1HB LEU 35 -14.828 3.079 -6.398 288 2HB LEU 35 2HB LEU 35 -14.904 1.752 -5.258 289 HG LEU 35 HG LEU 35 -12.730 2.759 -5.425 290 1HD1 LEU 35 1HD1 LEU 35 -11.434 0.789 -5.342 291 2HD1 LEU 35 2HD1 LEU 35 -13.052 0.308 -4.858 292 3HD1 LEU 35 3HD1 LEU 35 -12.451 -0.069 -6.491 293 1HD2 LEU 35 1HD2 LEU 35 -12.929 3.340 -7.878 294 2HD2 LEU 35 2HD2 LEU 35 -11.349 2.777 -7.341 295 3HD2 LEU 35 3HD2 LEU 35 -12.435 1.674 -8.236 296 H ILE 36 H ILE 36 -15.654 -0.610 -5.433 297 HA ILE 36 HA ILE 36 -13.823 -2.592 -6.381 298 HB ILE 36 HB ILE 36 -16.206 -2.832 -4.516 299 1HG1 ILE 36 1HG1 ILE 36 -13.190 -2.907 -4.013 300 2HG1 ILE 36 2HG1 ILE 36 -14.199 -1.479 -3.794 301 1HG2 ILE 36 1HG2 ILE 36 -15.271 -5.088 -3.906 302 2HG2 ILE 36 2HG2 ILE 36 -15.791 -5.065 -5.574 303 3HG2 ILE 36 3HG2 ILE 36 -14.068 -4.922 -5.176 304 1HD1 ILE 36 1HD1 ILE 36 -14.451 -4.078 -2.211 305 2HD1 ILE 36 2HD1 ILE 36 -13.833 -2.534 -1.650 306 3HD1 ILE 36 3HD1 ILE 36 -15.551 -2.689 -2.087 307 H ASN 37 H ASN 37 -17.383 -2.413 -6.704 308 HA ASN 37 HA ASN 37 -17.783 -4.860 -8.061 309 1HB ASN 37 1HB ASN 37 -19.299 -2.217 -8.215 310 2HB ASN 37 2HB ASN 37 -19.783 -3.649 -9.142 311 1HD2 ASN 37 2HD2 ASN 37 -19.124 -2.631 -5.750 312 2HD2 ASN 37 1HD2 ASN 37 -20.342 -3.699 -5.067 313 H ASN 38 H ASN 38 -17.118 -1.627 -9.397 314 HA ASN 38 HA ASN 38 -17.293 -2.443 -12.148 315 1HB ASN 38 1HB ASN 38 -17.721 -0.146 -11.312 316 2HB ASN 38 2HB ASN 38 -16.006 0.012 -10.872 317 1HD2 ASN 38 1HD2 ASN 38 -18.319 0.456 -13.368 318 2HD2 ASN 38 2HD2 ASN 38 -17.165 0.772 -14.655 319 H GLU 39 H GLU 39 -14.457 -1.569 -10.023 320 HA GLU 39 HA GLU 39 -12.716 -2.284 -12.274 321 1HB GLU 39 1HB GLU 39 -12.076 -1.097 -9.548 322 2HB GLU 39 2HB GLU 39 -10.939 -1.359 -10.873 323 1HG GLU 39 1HG GLU 39 -12.709 0.013 -12.314 324 2HG GLU 39 2HG GLU 39 -13.291 0.559 -10.742 325 H LEU 40 H LEU 40 -13.327 -3.601 -8.978 326 HA LEU 40 HA LEU 40 -11.272 -5.702 -9.452 327 1HB LEU 40 1HB LEU 40 -12.882 -4.856 -7.060 328 2HB LEU 40 2HB LEU 40 -12.196 -6.476 -7.147 329 HG LEU 40 HG LEU 40 -9.939 -5.619 -7.410 330 1HD1 LEU 40 1HD1 LEU 40 -11.234 -2.901 -6.959 331 2HD1 LEU 40 2HD1 LEU 40 -9.488 -3.241 -6.867 332 3HD1 LEU 40 3HD1 LEU 40 -10.334 -3.428 -8.411 333 1HD2 LEU 40 1HD2 LEU 40 -9.741 -4.798 -5.067 334 2HD2 LEU 40 2HD2 LEU 40 -11.501 -4.567 -5.013 335 3HD2 LEU 40 3HD2 LEU 40 -10.822 -6.195 -5.191 336 H SER 41 H SER 41 -13.298 -5.628 -11.409 337 HA SER 41 HA SER 41 -15.617 -7.174 -10.725 338 1HB SER 41 1HB SER 41 -15.589 -7.116 -13.404 339 2HB SER 41 2HB SER 41 -15.967 -5.678 -12.440 340 HG SER 41 HG SER 41 -14.315 -4.767 -13.305 341 H HIS 42 H HIS 42 -12.365 -7.938 -11.693 342 HA HIS 42 HA HIS 42 -13.095 -10.745 -12.405 343 1HB HIS 42 1HB HIS 42 -10.399 -9.377 -12.677 344 2HB HIS 42 2HB HIS 42 -10.951 -10.875 -13.426 345 HD1 HIS 42 HD1 HIS 42 -10.969 -7.126 -13.949 346 HD2 HIS 42 HD2 HIS 42 -13.042 -10.527 -15.319 347 HE1 HIS 42 HE1 HIS 42 -12.348 -6.383 -15.960 348 H PHE 43 H PHE 43 -10.988 -8.770 -10.335 349 HA PHE 43 HA PHE 43 -9.876 -10.797 -8.713 350 1HB PHE 43 1HB PHE 43 -10.310 -7.845 -8.525 351 2HB PHE 43 2HB PHE 43 -10.095 -8.652 -7.003 352 HD1 PHE 43 HD1 PHE 43 -8.479 -8.936 -10.433 353 HD2 PHE 43 HD2 PHE 43 -7.935 -8.676 -6.172 354 HE1 PHE 43 HE1 PHE 43 -6.022 -8.873 -10.744 355 HE2 PHE 43 HE2 PHE 43 -5.468 -8.531 -6.483 356 HZ PHE 43 HZ PHE 43 -4.518 -8.695 -8.780 357 H LEU 44 H LEU 44 -12.902 -8.894 -8.136 358 HA LEU 44 HA LEU 44 -13.807 -10.944 -6.159 359 1HB LEU 44 1HB LEU 44 -13.797 -7.919 -6.086 360 2HB LEU 44 2HB LEU 44 -15.202 -8.759 -5.452 361 HG LEU 44 HG LEU 44 -13.873 -10.018 -3.873 362 1HD1 LEU 44 1HD1 LEU 44 -11.710 -10.226 -4.924 363 2HD1 LEU 44 2HD1 LEU 44 -11.496 -8.461 -4.964 364 3HD1 LEU 44 3HD1 LEU 44 -11.499 -9.341 -3.419 365 1HD2 LEU 44 1HD2 LEU 44 -13.318 -7.023 -3.762 366 2HD2 LEU 44 2HD2 LEU 44 -14.830 -7.813 -3.262 367 3HD2 LEU 44 3HD2 LEU 44 -13.326 -8.139 -2.381 368 H GLU 45 H GLU 45 -16.241 -10.864 -6.014 369 HA GLU 45 HA GLU 45 -17.473 -10.743 -8.720 370 1HB GLU 45 1HB GLU 45 -18.611 -11.669 -6.044 371 2HB GLU 45 2HB GLU 45 -19.389 -11.811 -7.624 372 1HG GLU 45 1HG GLU 45 -17.506 -13.273 -8.396 373 2HG GLU 45 2HG GLU 45 -16.804 -13.185 -6.771 374 H GLU 46 H GLU 46 -19.686 -9.638 -8.749 375 HA GLU 46 HA GLU 46 -19.621 -6.986 -7.661 376 1HB GLU 46 1HB GLU 46 -21.757 -6.695 -8.616 377 2HB GLU 46 2HB GLU 46 -20.836 -7.686 -9.755 378 1HG GLU 46 1HG GLU 46 -21.941 -9.727 -8.702 379 2HG GLU 46 2HG GLU 46 -22.862 -8.598 -7.700 380 H ILE 47 H ILE 47 -20.950 -6.171 -6.063 381 HA ILE 47 HA ILE 47 -20.971 -8.007 -3.741 382 HB ILE 47 HB ILE 47 -21.104 -4.999 -3.688 383 1HG1 ILE 47 1HG1 ILE 47 -18.725 -6.926 -3.514 384 2HG1 ILE 47 2HG1 ILE 47 -19.041 -5.778 -4.832 385 1HG2 ILE 47 1HG2 ILE 47 -20.406 -7.087 -1.570 386 2HG2 ILE 47 2HG2 ILE 47 -20.408 -5.333 -1.340 387 3HG2 ILE 47 3HG2 ILE 47 -21.920 -6.167 -1.631 388 1HD1 ILE 47 1HD1 ILE 47 -17.451 -4.706 -3.565 389 2HD1 ILE 47 2HD1 ILE 47 -18.952 -3.924 -3.053 390 3HD1 ILE 47 3HD1 ILE 47 -18.175 -5.165 -2.022 391 H LYS 48 H LYS 48 -23.109 -5.464 -5.045 392 HA LYS 48 HA LYS 48 -25.287 -5.014 -4.817 393 1HB LYS 48 1HB LYS 48 -25.689 -7.228 -5.690 394 2HB LYS 48 2HB LYS 48 -25.603 -7.941 -4.067 395 1HG LYS 48 1HG LYS 48 -27.585 -6.793 -3.340 396 2HG LYS 48 2HG LYS 48 -27.632 -5.807 -4.809 397 1HD LYS 48 1HD LYS 48 -29.266 -7.684 -4.745 398 2HD LYS 48 2HD LYS 48 -28.210 -7.686 -6.173 399 1HE LYS 48 1HE LYS 48 -26.837 -9.489 -5.215 400 2HE LYS 48 2HE LYS 48 -27.756 -9.420 -3.700 401 1HZ LYS 48 1HZ LYS 48 -28.471 -11.194 -5.103 402 2HZ LYS 48 2HZ LYS 48 -29.688 -10.098 -4.921 403 3HZ LYS 48 3HZ LYS 48 -28.830 -10.152 -6.328 404 H GLU 49 H GLU 49 -24.483 -7.127 -1.981 405 HA GLU 49 HA GLU 49 -26.282 -5.718 -0.259 406 1HB GLU 49 1HB GLU 49 -24.053 -7.722 0.210 407 2HB GLU 49 2HB GLU 49 -24.870 -6.920 1.555 408 1HG GLU 49 1HG GLU 49 -25.890 -9.081 1.125 409 2HG GLU 49 2HG GLU 49 -27.032 -7.753 0.913 410 H GLN 50 H GLN 50 -25.679 -3.516 -0.671 411 HA GLN 50 HA GLN 50 -23.478 -2.070 -0.154 412 1HB GLN 50 1HB GLN 50 -25.668 -1.089 -0.682 413 2HB GLN 50 2HB GLN 50 -26.248 -1.463 0.941 414 1HG GLN 50 1HG GLN 50 -25.696 0.906 0.685 415 2HG GLN 50 2HG GLN 50 -24.682 0.166 1.920 416 1HE2 GLN 50 1HE2 GLN 50 -22.392 -0.272 1.363 417 2HE2 GLN 50 2HE2 GLN 50 -21.644 0.702 0.092 418 H GLU 51 H GLU 51 -25.438 -3.568 2.410 419 HA GLU 51 HA GLU 51 -24.136 -2.452 4.666 420 1HB GLU 51 1HB GLU 51 -25.510 -5.157 4.349 421 2HB GLU 51 2HB GLU 51 -25.084 -4.379 5.880 422 1HG GLU 51 1HG GLU 51 -26.539 -2.441 5.313 423 2HG GLU 51 2HG GLU 51 -27.036 -3.247 3.818 424 H VAL 52 H VAL 52 -23.306 -5.339 2.669 425 HA VAL 52 HA VAL 52 -21.345 -6.289 4.596 426 HB VAL 52 HB VAL 52 -21.826 -7.040 1.676 427 1HG1 VAL 52 1HG1 VAL 52 -19.495 -7.527 2.172 428 2HG1 VAL 52 2HG1 VAL 52 -19.909 -8.138 3.789 429 3HG1 VAL 52 3HG1 VAL 52 -20.377 -9.049 2.352 430 1HG2 VAL 52 1HG2 VAL 52 -22.797 -9.064 2.637 431 2HG2 VAL 52 2HG2 VAL 52 -22.409 -8.523 4.283 432 3HG2 VAL 52 3HG2 VAL 52 -23.632 -7.666 3.335 433 H VAL 53 H VAL 53 -21.158 -4.556 1.431 434 HA VAL 53 HA VAL 53 -18.333 -4.185 1.623 435 HB VAL 53 HB VAL 53 -19.062 -3.819 -0.478 436 1HG1 VAL 53 1HG1 VAL 53 -21.063 -1.756 0.446 437 2HG1 VAL 53 2HG1 VAL 53 -20.770 -2.266 -1.225 438 3HG1 VAL 53 3HG1 VAL 53 -21.478 -3.402 -0.094 439 1HG2 VAL 53 1HG2 VAL 53 -17.387 -2.147 0.298 440 2HG2 VAL 53 2HG2 VAL 53 -18.352 -1.604 -1.075 441 3HG2 VAL 53 3HG2 VAL 53 -18.697 -0.962 0.535 442 H ASP 54 H ASP 54 -21.045 -2.175 2.875 443 HA ASP 54 HA ASP 54 -19.460 -0.100 3.949 444 1HB ASP 54 1HB ASP 54 -21.868 0.057 4.006 445 2HB ASP 54 2HB ASP 54 -21.987 -1.354 5.066 446 H LYS 55 H LYS 55 -20.218 -3.375 5.328 447 HA LYS 55 HA LYS 55 -18.662 -2.926 7.647 448 1HB LYS 55 1HB LYS 55 -20.398 -4.817 7.105 449 2HB LYS 55 2HB LYS 55 -19.000 -5.680 6.454 450 1HG LYS 55 1HG LYS 55 -19.200 -6.399 8.703 451 2HG LYS 55 2HG LYS 55 -17.860 -5.243 8.722 452 1HD LYS 55 1HD LYS 55 -19.531 -3.464 9.498 453 2HD LYS 55 2HD LYS 55 -20.769 -4.723 9.549 454 1HE LYS 55 1HE LYS 55 -19.520 -5.911 11.295 455 2HE LYS 55 2HE LYS 55 -18.141 -4.808 11.109 456 1HZ LYS 55 1HZ LYS 55 -19.474 -4.209 12.972 457 2HZ LYS 55 2HZ LYS 55 -19.513 -3.019 11.829 458 3HZ LYS 55 3HZ LYS 55 -20.811 -4.020 12.024 459 H VAL 56 H VAL 56 -17.683 -4.484 4.519 460 HA VAL 56 HA VAL 56 -15.098 -5.130 5.467 461 HB VAL 56 HB VAL 56 -14.362 -5.678 3.415 462 1HG1 VAL 56 1HG1 VAL 56 -17.311 -6.016 2.841 463 2HG1 VAL 56 2HG1 VAL 56 -15.952 -7.014 2.336 464 3HG1 VAL 56 3HG1 VAL 56 -16.423 -6.981 4.045 465 1HG2 VAL 56 1HG2 VAL 56 -15.263 -4.949 1.220 466 2HG2 VAL 56 2HG2 VAL 56 -16.206 -3.710 2.060 467 3HG2 VAL 56 3HG2 VAL 56 -14.437 -3.685 2.130 468 H MET 57 H MET 57 -16.247 -2.123 3.872 469 HA MET 57 HA MET 57 -13.584 -0.969 3.981 470 1HB MET 57 1HB MET 57 -14.476 0.966 3.057 471 2HB MET 57 2HB MET 57 -15.260 -0.415 2.289 472 1HG MET 57 1HG MET 57 -17.076 0.952 2.596 473 2HG MET 57 2HG MET 57 -17.140 -0.019 4.055 474 1HE MET 57 1HE MET 57 -15.927 4.384 3.789 475 2HE MET 57 2HE MET 57 -15.086 3.124 2.862 476 3HE MET 57 3HE MET 57 -16.774 3.512 2.498 477 H GLU 58 H GLU 58 -16.475 -0.821 6.111 478 HA GLU 58 HA GLU 58 -15.668 1.167 7.858 479 1HB GLU 58 1HB GLU 58 -17.849 0.207 8.031 480 2HB GLU 58 2HB GLU 58 -17.187 -1.393 8.442 481 1HG GLU 58 1HG GLU 58 -16.386 -0.557 10.590 482 2HG GLU 58 2HG GLU 58 -16.827 1.096 10.138 483 H THR 59 H THR 59 -14.788 -2.341 7.996 484 HA THR 59 HA THR 59 -13.213 -1.969 10.326 485 HB THR 59 HB THR 59 -13.980 -4.152 9.701 486 HG1 THR 59 HG1 THR 59 -11.283 -3.605 10.235 487 1HG2 THR 59 1HG2 THR 59 -11.787 -4.170 7.600 488 2HG2 THR 59 2HG2 THR 59 -12.693 -5.577 8.181 489 3HG2 THR 59 3HG2 THR 59 -13.548 -4.289 7.332 490 H LEU 60 H LEU 60 -12.389 -0.910 7.108 491 HA LEU 60 HA LEU 60 -9.561 -0.446 7.982 492 1HB LEU 60 1HB LEU 60 -10.885 0.124 5.287 493 2HB LEU 60 2HB LEU 60 -9.235 0.495 5.763 494 HG LEU 60 HG LEU 60 -8.993 -1.334 4.444 495 1HD1 LEU 60 1HD1 LEU 60 -7.949 -2.979 5.837 496 2HD1 LEU 60 2HD1 LEU 60 -7.731 -1.409 6.620 497 3HD1 LEU 60 3HD1 LEU 60 -8.953 -2.550 7.232 498 1HD2 LEU 60 1HD2 LEU 60 -11.314 -2.104 4.362 499 2HD2 LEU 60 2HD2 LEU 60 -10.187 -3.445 4.616 500 3HD2 LEU 60 3HD2 LEU 60 -11.141 -2.827 5.974 501 H ASP 61 H ASP 61 -12.690 1.095 7.676 502 HA ASP 61 HA ASP 61 -11.830 3.735 7.274 503 1HB ASP 61 1HB ASP 61 -14.157 2.928 6.949 504 2HB ASP 61 2HB ASP 61 -14.330 2.787 8.708 505 H SER 62 H SER 62 -10.006 3.966 8.663 506 HA SER 62 HA SER 62 -9.668 4.191 11.320 507 1HB SER 62 1HB SER 62 -8.382 6.340 10.774 508 2HB SER 62 2HB SER 62 -7.993 4.925 9.783 509 HG SER 62 HG SER 62 -9.591 7.162 9.032 510 H ASP 63 H ASP 63 -11.775 6.341 9.432 511 HA ASP 63 HA ASP 63 -12.178 8.209 11.657 512 1HB ASP 63 1HB ASP 63 -13.287 8.006 8.836 513 2HB ASP 63 2HB ASP 63 -13.718 9.304 9.954 514 H GLY 64 H GLY 64 -13.645 5.220 10.720 515 1HA GLY 64 1HA GLY 64 -15.733 4.300 10.964 516 2HA GLY 64 2HA GLY 64 -15.667 5.058 12.566 517 H ASP 65 H ASP 65 -15.855 6.622 9.336 518 HA ASP 65 HA ASP 65 -18.248 8.133 10.197 519 1HB ASP 65 1HB ASP 65 -17.182 9.985 9.161 520 2HB ASP 65 2HB ASP 65 -15.990 9.238 10.173 521 H GLY 66 H GLY 66 -17.199 5.748 8.028 522 1HA GLY 66 1HA GLY 66 -18.535 4.685 6.506 523 2HA GLY 66 2HA GLY 66 -19.611 6.083 6.373 524 H GLU 67 H GLU 67 -16.338 7.087 6.124 525 HA GLU 67 HA GLU 67 -16.135 6.521 3.259 526 1HB GLU 67 1HB GLU 67 -15.400 8.895 2.847 527 2HB GLU 67 2HB GLU 67 -17.120 8.640 3.151 528 1HG GLU 67 1HG GLU 67 -16.866 9.388 5.491 529 2HG GLU 67 2HG GLU 67 -15.151 9.717 5.175 530 H CYS 68 H CYS 68 -14.271 5.715 2.702 531 HA CYS 68 HA CYS 68 -12.223 5.432 4.847 532 1HB CYS 68 1HB CYS 68 -12.942 3.933 2.326 533 2HB CYS 68 2HB CYS 68 -11.244 3.918 2.843 534 HG CYS 68 HG CYS 68 -13.830 3.175 4.722 535 H ASP 69 H ASP 69 -10.381 6.641 4.854 536 HA ASP 69 HA ASP 69 -9.890 8.596 2.794 537 1HB ASP 69 1HB ASP 69 -9.259 9.034 5.105 538 2HB ASP 69 2HB ASP 69 -8.156 7.643 5.111 539 H PHE 70 H PHE 70 -8.017 8.698 1.414 540 HA PHE 70 HA PHE 70 -7.478 6.582 -0.200 541 1HB PHE 70 1HB PHE 70 -6.743 8.858 -0.650 542 2HB PHE 70 2HB PHE 70 -5.530 8.786 0.607 543 HD1 PHE 70 HD1 PHE 70 -3.329 7.794 0.075 544 HD2 PHE 70 HD2 PHE 70 -6.688 7.063 -2.486 545 HE1 PHE 70 HE1 PHE 70 -1.843 6.753 -1.594 546 HE2 PHE 70 HE2 PHE 70 -5.188 6.219 -4.264 547 HZ PHE 70 HZ PHE 70 -2.771 6.020 -3.828 548 H GLN 71 H GLN 71 -5.664 7.263 2.836 549 HA GLN 71 HA GLN 71 -3.792 5.134 2.534 550 1HB GLN 71 1HB GLN 71 -3.415 6.895 4.116 551 2HB GLN 71 2HB GLN 71 -4.934 6.562 4.951 552 1HG GLN 71 1HG GLN 71 -2.990 5.779 6.222 553 2HG GLN 71 2HG GLN 71 -4.130 4.494 5.844 554 1HE2 GLN 71 2HE2 GLN 71 -1.612 5.771 3.479 555 2HE2 GLN 71 1HE2 GLN 71 -0.722 4.260 3.548 556 H GLU 72 H GLU 72 -7.134 5.155 3.842 557 HA GLU 72 HA GLU 72 -6.932 2.450 4.917 558 1HB GLU 72 1HB GLU 72 -9.469 3.999 4.290 559 2HB GLU 72 2HB GLU 72 -9.246 2.681 5.436 560 1HG GLU 72 1HG GLU 72 -8.384 5.560 5.658 561 2HG GLU 72 2HG GLU 72 -9.357 4.618 6.771 562 H PHE 73 H PHE 73 -8.184 3.996 1.988 563 HA PHE 73 HA PHE 73 -9.082 1.668 0.585 564 1HB PHE 73 1HB PHE 73 -9.629 3.707 -0.367 565 2HB PHE 73 2HB PHE 73 -8.024 4.371 -0.189 566 HD1 PHE 73 HD1 PHE 73 -6.297 4.092 -1.855 567 HD2 PHE 73 HD2 PHE 73 -10.130 2.160 -2.300 568 HE1 PHE 73 HE1 PHE 73 -5.943 3.943 -4.288 569 HE2 PHE 73 HE2 PHE 73 -9.806 2.119 -4.760 570 HZ PHE 73 HZ PHE 73 -7.765 3.072 -5.779 571 H MET 74 H MET 74 -5.809 3.168 0.816 572 HA MET 74 HA MET 74 -4.487 1.236 -0.700 573 1HB MET 74 1HB MET 74 -3.723 3.522 0.789 574 2HB MET 74 2HB MET 74 -2.770 2.196 1.457 575 1HG MET 74 1HG MET 74 -3.003 2.988 -1.471 576 2HG MET 74 2HG MET 74 -1.631 3.309 -0.407 577 1HE MET 74 1HE MET 74 0.019 2.310 -2.239 578 2HE MET 74 2HE MET 74 -0.224 0.720 -3.005 579 3HE MET 74 3HE MET 74 -1.391 2.031 -3.288 580 H ALA 75 H ALA 75 -5.247 1.212 2.768 581 HA ALA 75 HA ALA 75 -3.938 -1.250 3.378 582 1HB ALA 75 1HB ALA 75 -4.796 0.316 5.091 583 2HB ALA 75 2HB ALA 75 -6.457 -0.174 4.700 584 3HB ALA 75 3HB ALA 75 -5.317 -1.359 5.354 585 H PHE 76 H PHE 76 -7.265 -0.635 2.183 586 HA PHE 76 HA PHE 76 -8.106 -3.389 2.162 587 1HB PHE 76 1HB PHE 76 -9.774 -1.708 1.966 588 2HB PHE 76 2HB PHE 76 -8.998 -1.007 0.553 589 HD1 PHE 76 HD1 PHE 76 -9.393 -1.724 -1.637 590 HD2 PHE 76 HD2 PHE 76 -10.899 -4.070 1.686 591 HE1 PHE 76 HE1 PHE 76 -10.718 -3.093 -3.199 592 HE2 PHE 76 HE2 PHE 76 -12.212 -5.430 0.098 593 HZ PHE 76 HZ PHE 76 -12.107 -4.964 -2.356 594 H VAL 77 H VAL 77 -6.638 -1.307 -0.371 595 HA VAL 77 HA VAL 77 -6.294 -3.230 -2.400 596 HB VAL 77 HB VAL 77 -4.709 -0.793 -1.565 597 1HG1 VAL 77 1HG1 VAL 77 -3.045 -2.199 -2.688 598 2HG1 VAL 77 2HG1 VAL 77 -4.197 -2.550 -3.998 599 3HG1 VAL 77 3HG1 VAL 77 -3.550 -0.910 -3.780 600 1HG2 VAL 77 1HG2 VAL 77 -6.982 -0.479 -2.557 601 2HG2 VAL 77 2HG2 VAL 77 -5.683 0.194 -3.559 602 3HG2 VAL 77 3HG2 VAL 77 -6.432 -1.355 -4.002 603 H ALA 78 H ALA 78 -4.153 -2.505 0.424 604 HA ALA 78 HA ALA 78 -2.123 -4.288 -0.279 605 1HB ALA 78 1HB ALA 78 -1.900 -2.601 1.486 606 2HB ALA 78 2HB ALA 78 -2.961 -3.558 2.547 607 3HB ALA 78 3HB ALA 78 -1.399 -4.211 2.026 608 H MET 79 H MET 79 -4.993 -5.031 1.838 609 HA MET 79 HA MET 79 -4.195 -7.755 2.202 610 1HB MET 79 1HB MET 79 -6.511 -8.271 2.799 611 2HB MET 79 2HB MET 79 -5.839 -6.893 3.687 612 1HG MET 79 1HG MET 79 -7.149 -5.357 2.386 613 2HG MET 79 2HG MET 79 -7.677 -6.646 1.279 614 1HE MET 79 1HE MET 79 -9.349 -6.018 5.484 615 2HE MET 79 2HE MET 79 -7.658 -6.540 5.256 616 3HE MET 79 3HE MET 79 -8.190 -4.943 4.663 617 H ILE 80 H ILE 80 -6.259 -6.282 -0.311 618 HA ILE 80 HA ILE 80 -7.010 -8.693 -1.626 619 HB ILE 80 HB ILE 80 -6.589 -5.859 -2.665 620 1HG1 ILE 80 1HG1 ILE 80 -8.329 -6.222 -0.808 621 2HG1 ILE 80 2HG1 ILE 80 -8.831 -5.398 -2.280 622 1HG2 ILE 80 1HG2 ILE 80 -7.966 -8.218 -3.968 623 2HG2 ILE 80 2HG2 ILE 80 -8.149 -6.530 -4.507 624 3HG2 ILE 80 3HG2 ILE 80 -6.565 -7.305 -4.578 625 1HD1 ILE 80 1HD1 ILE 80 -10.018 -7.356 -3.039 626 2HD1 ILE 80 2HD1 ILE 80 -9.334 -8.347 -1.723 627 3HD1 ILE 80 3HD1 ILE 80 -10.465 -7.031 -1.358 628 H THR 81 H THR 81 -4.346 -6.427 -2.250 629 HA THR 81 HA THR 81 -3.161 -7.815 -4.399 630 HB THR 81 HB THR 81 -1.868 -5.968 -2.324 631 HG1 THR 81 HG1 THR 81 -3.560 -4.963 -3.365 632 1HG2 THR 81 1HG2 THR 81 -0.257 -5.427 -4.131 633 2HG2 THR 81 2HG2 THR 81 -0.159 -7.127 -3.643 634 3HG2 THR 81 3HG2 THR 81 -0.964 -6.690 -5.151 635 H THR 82 H THR 82 -2.714 -8.105 -0.829 636 HA THR 82 HA THR 82 -0.455 -9.841 -0.911 637 HB THR 82 HB THR 82 -2.666 -9.610 1.170 638 HG1 THR 82 HG1 THR 82 -1.492 -7.714 0.797 639 1HG2 THR 82 1HG2 THR 82 -1.502 -11.716 1.507 640 2HG2 THR 82 2HG2 THR 82 0.074 -10.931 1.288 641 3HG2 THR 82 3HG2 THR 82 -0.932 -10.549 2.704 642 H ALA 83 H ALA 83 -3.999 -10.603 -0.768 643 HA ALA 83 HA ALA 83 -3.640 -13.432 -0.842 644 1HB ALA 83 1HB ALA 83 -5.782 -12.343 -0.305 645 2HB ALA 83 2HB ALA 83 -5.915 -11.752 -1.977 646 3HB ALA 83 3HB ALA 83 -5.974 -13.497 -1.644 647 H CYS 84 H CYS 84 -4.088 -11.060 -3.510 648 HA CYS 84 HA CYS 84 -3.900 -12.937 -5.629 649 1HB CYS 84 1HB CYS 84 -4.698 -10.692 -6.003 650 2HB CYS 84 2HB CYS 84 -3.105 -10.004 -5.580 651 HG CYS 84 HG CYS 84 -3.889 -12.108 -8.008 652 H HIS 85 H HIS 85 -1.323 -11.086 -3.992 653 HA HIS 85 HA HIS 85 0.905 -11.852 -5.516 654 1HB HIS 85 1HB HIS 85 1.053 -10.080 -3.889 655 2HB HIS 85 2HB HIS 85 0.627 -11.158 -2.572 656 HD1 HIS 85 HD1 HIS 85 3.656 -10.237 -4.705 657 HD2 HIS 85 HD2 HIS 85 2.491 -12.711 -1.506 658 HE1 HIS 85 HE1 HIS 85 5.794 -11.140 -3.660 659 H GLU 86 H GLU 86 -0.334 -13.394 -2.479 660 HA GLU 86 HA GLU 86 1.599 -15.423 -2.357 661 1HB GLU 86 1HB GLU 86 -1.359 -15.528 -1.616 662 2HB GLU 86 2HB GLU 86 -0.168 -16.771 -1.196 663 1HG GLU 86 1HG GLU 86 1.123 -15.221 0.141 664 2HG GLU 86 2HG GLU 86 0.101 -13.863 -0.342 665 H PHE 87 H PHE 87 -1.526 -15.457 -4.054 666 HA PHE 87 HA PHE 87 -1.322 -18.079 -5.199 667 1HB PHE 87 1HB PHE 87 -3.460 -17.343 -5.355 668 2HB PHE 87 2HB PHE 87 -3.003 -15.661 -5.543 669 HD1 PHE 87 HD1 PHE 87 -2.326 -18.726 -7.665 670 HD2 PHE 87 HD2 PHE 87 -3.799 -14.676 -7.477 671 HE1 PHE 87 HE1 PHE 87 -2.645 -18.723 -10.113 672 HE2 PHE 87 HE2 PHE 87 -4.137 -14.693 -9.929 673 HZ PHE 87 HZ PHE 87 -3.536 -16.709 -11.255 674 H PHE 88 H PHE 88 -0.714 -14.898 -6.703 675 HA PHE 88 HA PHE 88 0.030 -16.008 -9.173 676 1HB PHE 88 1HB PHE 88 -0.888 -13.788 -8.715 677 2HB PHE 88 2HB PHE 88 0.677 -13.264 -8.057 678 HD1 PHE 88 HD1 PHE 88 -1.045 -14.514 -11.144 679 HD2 PHE 88 HD2 PHE 88 2.540 -12.720 -9.556 680 HE1 PHE 88 HE1 PHE 88 -0.262 -14.029 -13.443 681 HE2 PHE 88 HE2 PHE 88 3.284 -12.171 -11.855 682 HZ PHE 88 HZ PHE 88 1.888 -12.831 -13.804 683 H GLU 89 H GLU 89 2.062 -15.133 -6.372 684 HA GLU 89 HA GLU 89 4.587 -15.654 -7.704 685 1HB GLU 89 1HB GLU 89 3.729 -15.892 -4.807 686 2HB GLU 89 2HB GLU 89 5.402 -16.031 -5.346 687 1HG GLU 89 1HG GLU 89 3.674 -13.526 -5.666 688 2HG GLU 89 2HG GLU 89 4.839 -13.832 -4.374 689 H HIS 90 H HIS 90 2.290 -17.678 -5.740 690 HA HIS 90 HA HIS 90 3.824 -20.117 -6.261 691 1HB HIS 90 1HB HIS 90 2.539 -19.679 -4.175 692 2HB HIS 90 2HB HIS 90 1.062 -19.586 -5.145 693 HD1 HIS 90 HD1 HIS 90 -0.060 -21.616 -3.799 694 HD2 HIS 90 HD2 HIS 90 3.566 -22.469 -5.788 695 HE1 HIS 90 HE1 HIS 90 0.202 -24.142 -3.805 696 H GLU 91 H GLU 91 3.748 -19.476 -8.668 697 HA GLU 91 HA GLU 91 1.519 -20.920 -10.021 698 1HB GLU 91 1HB GLU 91 1.065 -18.424 -9.864 699 2HB GLU 91 2HB GLU 91 2.534 -18.161 -10.822 700 1HG GLU 91 1HG GLU 91 1.526 -19.468 -12.690 701 2HG GLU 91 2HG GLU 91 0.075 -19.736 -11.706 702 1H SER 1 1H SER 1 -11.830 -1.784 -14.142 703 2H SER 1 2H SER 1 -10.956 -0.595 -13.394 704 3H SER 1 3H SER 1 -10.660 -0.976 -14.968 705 HA SER 1 HA SER 1 -10.198 -2.664 -12.615 706 1HB SER 1 1HB SER 1 -9.884 -3.302 -15.547 707 2HB SER 1 2HB SER 1 -9.269 -4.328 -14.225 708 HG SER 1 HG SER 1 -11.474 -4.369 -13.410 709 H GLU 2 H GLU 2 -9.116 0.026 -14.000 710 HA GLU 2 HA GLU 2 -6.372 -0.088 -14.317 711 1HB GLU 2 1HB GLU 2 -7.872 1.906 -12.548 712 2HB GLU 2 2HB GLU 2 -6.263 2.104 -13.253 713 1HG GLU 2 1HG GLU 2 -7.520 3.339 -14.706 714 2HG GLU 2 2HG GLU 2 -7.489 1.793 -15.561 715 H LEU 3 H LEU 3 -8.191 -0.132 -11.230 716 HA LEU 3 HA LEU 3 -6.004 -0.281 -9.461 717 1HB LEU 3 1HB LEU 3 -8.637 -1.770 -9.145 718 2HB LEU 3 2HB LEU 3 -7.476 -1.323 -7.875 719 HG LEU 3 HG LEU 3 -9.320 0.486 -9.475 720 1HD1 LEU 3 1HD1 LEU 3 -10.054 1.068 -7.177 721 2HD1 LEU 3 2HD1 LEU 3 -10.283 -0.648 -7.549 722 3HD1 LEU 3 3HD1 LEU 3 -8.936 -0.122 -6.511 723 1HD2 LEU 3 1HD2 LEU 3 -8.379 2.408 -8.251 724 2HD2 LEU 3 2HD2 LEU 3 -7.101 1.370 -7.597 725 3HD2 LEU 3 3HD2 LEU 3 -7.187 1.714 -9.347 726 H GLU 4 H GLU 4 -7.675 -3.001 -11.156 727 HA GLU 4 HA GLU 4 -6.177 -5.088 -9.901 728 1HB GLU 4 1HB GLU 4 -7.420 -5.050 -12.678 729 2HB GLU 4 2HB GLU 4 -6.866 -6.469 -11.792 730 1HG GLU 4 1HG GLU 4 -8.541 -6.024 -10.005 731 2HG GLU 4 2HG GLU 4 -9.149 -4.642 -10.925 732 H LYS 5 H LYS 5 -5.578 -3.003 -12.721 733 HA LYS 5 HA LYS 5 -3.274 -4.466 -13.687 734 1HB LYS 5 1HB LYS 5 -3.980 -1.560 -14.201 735 2HB LYS 5 2HB LYS 5 -2.827 -2.558 -15.085 736 1HG LYS 5 1HG LYS 5 -5.844 -2.902 -14.976 737 2HG LYS 5 2HG LYS 5 -4.863 -2.401 -16.354 738 1HD LYS 5 1HD LYS 5 -3.721 -4.667 -16.276 739 2HD LYS 5 2HD LYS 5 -4.892 -5.168 -15.043 740 1HE LYS 5 1HE LYS 5 -5.579 -4.235 -17.868 741 2HE LYS 5 2HE LYS 5 -5.559 -5.913 -17.302 742 1HZ LYS 5 1HZ LYS 5 -7.277 -5.349 -15.740 743 2HZ LYS 5 2HZ LYS 5 -7.314 -3.792 -16.287 744 3HZ LYS 5 3HZ LYS 5 -7.755 -5.028 -17.284 745 H ALA 6 H ALA 6 -3.611 -1.463 -11.764 746 HA ALA 6 HA ALA 6 -0.884 -1.017 -11.205 747 1HB ALA 6 1HB ALA 6 -3.362 -0.525 -9.501 748 2HB ALA 6 2HB ALA 6 -1.765 0.210 -9.215 749 3HB ALA 6 3HB ALA 6 -2.670 0.580 -10.700 750 H VAL 7 H VAL 7 -3.281 -2.978 -9.423 751 HA VAL 7 HA VAL 7 -1.625 -3.897 -7.339 752 HB VAL 7 HB VAL 7 -4.139 -4.917 -8.687 753 1HG1 VAL 7 1HG1 VAL 7 -4.420 -6.475 -6.791 754 2HG1 VAL 7 2HG1 VAL 7 -3.136 -6.959 -7.913 755 3HG1 VAL 7 3HG1 VAL 7 -2.724 -6.211 -6.355 756 1HG2 VAL 7 1HG2 VAL 7 -5.170 -4.191 -6.587 757 2HG2 VAL 7 2HG2 VAL 7 -3.573 -3.823 -5.903 758 3HG2 VAL 7 3HG2 VAL 7 -4.202 -2.852 -7.227 759 H VAL 8 H VAL 8 -2.345 -5.628 -10.506 760 HA VAL 8 HA VAL 8 -0.398 -7.630 -9.808 761 HB VAL 8 HB VAL 8 -0.493 -8.458 -12.028 762 1HG1 VAL 8 1HG1 VAL 8 -2.858 -9.063 -12.089 763 2HG1 VAL 8 2HG1 VAL 8 -2.257 -9.063 -10.423 764 3HG1 VAL 8 3HG1 VAL 8 -3.265 -7.724 -11.002 765 1HG2 VAL 8 1HG2 VAL 8 -2.239 -6.100 -12.738 766 2HG2 VAL 8 2HG2 VAL 8 -0.597 -6.378 -13.346 767 3HG2 VAL 8 3HG2 VAL 8 -1.905 -7.493 -13.776 768 H ALA 9 H ALA 9 -0.059 -4.443 -11.353 769 HA ALA 9 HA ALA 9 2.604 -4.823 -12.263 770 1HB ALA 9 1HB ALA 9 1.399 -2.227 -11.240 771 2HB ALA 9 2HB ALA 9 2.819 -2.427 -12.273 772 3HB ALA 9 3HB ALA 9 1.216 -2.877 -12.883 773 H LEU 10 H LEU 10 1.395 -3.717 -9.012 774 HA LEU 10 HA LEU 10 3.977 -3.449 -7.817 775 1HB LEU 10 1HB LEU 10 1.257 -4.264 -6.661 776 2HB LEU 10 2HB LEU 10 2.715 -4.398 -5.713 777 HG LEU 10 HG LEU 10 2.016 -2.491 -4.902 778 1HD1 LEU 10 1HD1 LEU 10 3.284 -0.602 -5.695 779 2HD1 LEU 10 2HD1 LEU 10 4.259 -2.071 -5.875 780 3HD1 LEU 10 3HD1 LEU 10 3.451 -1.331 -7.296 781 1HD2 LEU 10 1HD2 LEU 10 1.006 -1.406 -7.534 782 2HD2 LEU 10 2HD2 LEU 10 0.006 -2.234 -6.308 783 3HD2 LEU 10 3HD2 LEU 10 0.828 -0.716 -5.902 784 H ILE 11 H ILE 11 1.867 -6.331 -8.036 785 HA ILE 11 HA ILE 11 3.639 -8.076 -6.665 786 HB ILE 11 HB ILE 11 1.545 -8.681 -8.786 787 1HG1 ILE 11 1HG1 ILE 11 1.461 -8.905 -5.745 788 2HG1 ILE 11 2HG1 ILE 11 0.809 -7.532 -6.632 789 1HG2 ILE 11 1HG2 ILE 11 1.605 -11.003 -7.923 790 2HG2 ILE 11 2HG2 ILE 11 3.159 -10.562 -8.603 791 3HG2 ILE 11 3HG2 ILE 11 2.948 -10.577 -6.843 792 1HD1 ILE 11 1HD1 ILE 11 -0.987 -9.023 -6.063 793 2HD1 ILE 11 2HD1 ILE 11 -0.777 -8.991 -7.823 794 3HD1 ILE 11 3HD1 ILE 11 -0.215 -10.385 -6.877 795 H ASP 12 H ASP 12 3.312 -7.479 -10.187 796 HA ASP 12 HA ASP 12 5.245 -9.389 -10.972 797 1HB ASP 12 1HB ASP 12 3.518 -8.476 -12.472 798 2HB ASP 12 2HB ASP 12 4.308 -6.891 -12.442 799 H VAL 13 H VAL 13 5.551 -5.798 -10.564 800 HA VAL 13 HA VAL 13 8.320 -5.748 -11.304 801 HB VAL 13 HB VAL 13 6.649 -3.863 -9.598 802 1HG1 VAL 13 1HG1 VAL 13 9.003 -3.496 -8.999 803 2HG1 VAL 13 2HG1 VAL 13 9.481 -3.536 -10.710 804 3HG1 VAL 13 3HG1 VAL 13 8.485 -2.206 -10.093 805 1HG2 VAL 13 1HG2 VAL 13 6.036 -4.151 -12.048 806 2HG2 VAL 13 2HG2 VAL 13 6.595 -2.528 -11.629 807 3HG2 VAL 13 3HG2 VAL 13 7.690 -3.664 -12.459 808 H PHE 14 H PHE 14 6.665 -6.062 -8.100 809 HA PHE 14 HA PHE 14 9.012 -6.287 -6.552 810 1HB PHE 14 1HB PHE 14 6.740 -6.137 -5.628 811 2HB PHE 14 2HB PHE 14 6.379 -7.763 -6.198 812 HD1 PHE 14 HD1 PHE 14 7.360 -9.744 -5.082 813 HD2 PHE 14 HD2 PHE 14 8.356 -5.748 -3.806 814 HE1 PHE 14 HE1 PHE 14 8.105 -10.611 -2.892 815 HE2 PHE 14 HE2 PHE 14 9.143 -6.652 -1.627 816 HZ PHE 14 HZ PHE 14 8.988 -9.074 -1.154 817 H HIS 15 H HIS 15 7.173 -8.901 -8.223 818 HA HIS 15 HA HIS 15 8.721 -11.097 -7.543 819 1HB HIS 15 1HB HIS 15 6.603 -11.323 -8.646 820 2HB HIS 15 2HB HIS 15 7.201 -10.529 -10.095 821 HD1 HIS 15 HD1 HIS 15 7.446 -13.908 -8.315 822 HD2 HIS 15 HD2 HIS 15 8.647 -11.922 -11.831 823 HE1 HIS 15 HE1 HIS 15 8.353 -15.695 -9.898 824 H GLN 16 H GLN 16 9.179 -8.893 -10.363 825 HA GLN 16 HA GLN 16 11.358 -10.204 -11.558 826 1HB GLN 16 1HB GLN 16 10.808 -7.214 -11.308 827 2HB GLN 16 2HB GLN 16 12.094 -7.905 -12.300 828 1HG GLN 16 1HG GLN 16 10.475 -9.118 -13.666 829 2HG GLN 16 2HG GLN 16 9.139 -8.541 -12.666 830 1HE2 GLN 16 1HE2 GLN 16 7.997 -7.095 -14.029 831 2HE2 GLN 16 2HE2 GLN 16 8.803 -5.786 -14.879 832 H TYR 17 H TYR 17 11.465 -7.740 -8.936 833 HA TYR 17 HA TYR 17 14.368 -7.983 -8.684 834 1HB TYR 17 1HB TYR 17 12.240 -6.505 -7.139 835 2HB TYR 17 2HB TYR 17 13.905 -6.585 -6.587 836 HD1 TYR 17 HD1 TYR 17 15.682 -5.329 -7.610 837 HD2 TYR 17 HD2 TYR 17 11.771 -5.415 -9.417 838 HE1 TYR 17 HE1 TYR 17 16.331 -3.496 -9.147 839 HE2 TYR 17 HE2 TYR 17 12.421 -3.570 -10.927 840 HH TYR 17 HH TYR 17 15.703 -2.153 -10.892 841 H SER 18 H SER 18 11.631 -9.100 -6.606 842 HA SER 18 HA SER 18 13.263 -10.216 -4.563 843 1HB SER 18 1HB SER 18 11.182 -11.368 -3.895 844 2HB SER 18 2HB SER 18 10.887 -9.649 -4.238 845 HG SER 18 HG SER 18 9.378 -11.209 -5.196 846 H GLY 19 H GLY 19 12.236 -11.509 -7.711 847 1HA GLY 19 1HA GLY 19 12.726 -14.258 -7.275 848 2HA GLY 19 2HA GLY 19 12.889 -13.379 -8.806 849 H ARG 20 H ARG 20 14.975 -11.492 -7.636 850 HA ARG 20 HA ARG 20 17.136 -13.200 -8.559 851 1HB ARG 20 1HB ARG 20 17.409 -10.351 -7.596 852 2HB ARG 20 2HB ARG 20 18.417 -11.254 -8.733 853 1HG ARG 20 1HG ARG 20 16.106 -11.394 -10.118 854 2HG ARG 20 2HG ARG 20 15.695 -10.004 -9.127 855 1HD ARG 20 1HD ARG 20 18.102 -10.222 -10.945 856 2HD ARG 20 2HD ARG 20 16.655 -9.214 -11.193 857 HE ARG 20 HE ARG 20 17.647 -8.439 -8.708 858 1HH1 ARG 20 2HH1 ARG 20 18.806 -8.429 -12.040 859 2HH1 ARG 20 1HH1 ARG 20 19.981 -7.167 -11.781 860 1HH2 ARG 20 2HH2 ARG 20 19.223 -6.824 -8.326 861 2HH2 ARG 20 1HH2 ARG 20 20.217 -6.250 -9.633 862 H GLU 21 H GLU 21 16.595 -11.283 -5.540 863 HA GLU 21 HA GLU 21 18.151 -13.293 -4.032 864 1HB GLU 21 1HB GLU 21 18.930 -10.377 -3.813 865 2HB GLU 21 2HB GLU 21 19.682 -11.784 -3.063 866 1HG GLU 21 1HG GLU 21 20.412 -12.586 -5.290 867 2HG GLU 21 2HG GLU 21 19.723 -11.130 -6.035 868 H GLY 22 H GLY 22 16.570 -13.880 -2.702 869 1HA GLY 22 1HA GLY 22 15.687 -12.947 -0.429 870 2HA GLY 22 2HA GLY 22 14.730 -11.896 -1.483 871 H ASP 23 H ASP 23 14.257 -13.631 -3.615 872 HA ASP 23 HA ASP 23 13.561 -15.560 -4.436 873 1HB ASP 23 1HB ASP 23 14.695 -16.904 -2.717 874 2HB ASP 23 2HB ASP 23 13.280 -16.752 -1.657 875 H LYS 24 H LYS 24 12.013 -14.015 -5.014 876 HA LYS 24 HA LYS 24 9.935 -13.721 -5.807 877 1HB LYS 24 1HB LYS 24 9.218 -16.258 -4.283 878 2HB LYS 24 2HB LYS 24 8.205 -15.426 -5.458 879 1HG LYS 24 1HG LYS 24 9.873 -15.759 -7.229 880 2HG LYS 24 2HG LYS 24 11.005 -16.479 -6.079 881 1HD LYS 24 1HD LYS 24 9.919 -18.202 -7.400 882 2HD LYS 24 2HD LYS 24 9.516 -18.373 -5.685 883 1HE LYS 24 1HE LYS 24 7.295 -17.433 -6.045 884 2HE LYS 24 2HE LYS 24 7.694 -16.981 -7.712 885 1HZ LYS 24 1HZ LYS 24 7.891 -19.304 -8.218 886 2HZ LYS 24 2HZ LYS 24 7.524 -19.714 -6.661 887 3HZ LYS 24 3HZ LYS 24 6.404 -18.945 -7.598 888 H HIS 25 H HIS 25 9.678 -14.543 -2.339 889 HA HIS 25 HA HIS 25 7.406 -12.649 -2.030 890 1HB HIS 25 1HB HIS 25 8.575 -14.799 -0.244 891 2HB HIS 25 2HB HIS 25 7.235 -13.737 0.205 892 HD1 HIS 25 HD1 HIS 25 5.056 -13.842 -1.627 893 HD2 HIS 25 HD2 HIS 25 7.832 -17.013 -1.474 894 HE1 HIS 25 HE1 HIS 25 3.873 -15.908 -2.549 895 H LYS 26 H LYS 26 10.817 -12.535 -1.615 896 HA LYS 26 HA LYS 26 10.573 -10.336 0.365 897 1HB LYS 26 1HB LYS 26 12.719 -12.450 0.538 898 2HB LYS 26 2HB LYS 26 12.215 -11.261 1.755 899 1HG LYS 26 1HG LYS 26 10.041 -12.480 1.995 900 2HG LYS 26 2HG LYS 26 10.660 -13.742 0.913 901 1HD LYS 26 1HD LYS 26 11.933 -12.917 3.554 902 2HD LYS 26 2HD LYS 26 10.892 -14.325 3.304 903 1HE LYS 26 1HE LYS 26 12.552 -15.190 1.596 904 2HE LYS 26 2HE LYS 26 13.634 -13.856 2.037 905 1HZ LYS 26 1HZ LYS 26 13.615 -14.667 4.279 906 2HZ LYS 26 2HZ LYS 26 12.676 -15.948 3.843 907 3HZ LYS 26 3HZ LYS 26 14.198 -15.794 3.224 908 H LEU 27 H LEU 27 12.315 -8.857 0.364 909 HA LEU 27 HA LEU 27 14.085 -8.860 -2.071 910 1HB LEU 27 1HB LEU 27 12.734 -6.693 -0.423 911 2HB LEU 27 2HB LEU 27 14.048 -6.304 -1.508 912 HG LEU 27 HG LEU 27 11.413 -7.586 -2.347 913 1HD1 LEU 27 1HD1 LEU 27 11.134 -5.275 -1.428 914 2HD1 LEU 27 2HD1 LEU 27 12.403 -4.699 -2.528 915 3HD1 LEU 27 3HD1 LEU 27 10.866 -5.291 -3.185 916 1HD2 LEU 27 1HD2 LEU 27 12.015 -6.946 -4.621 917 2HD2 LEU 27 2HD2 LEU 27 13.527 -6.211 -4.056 918 3HD2 LEU 27 3HD2 LEU 27 13.301 -7.972 -3.970 919 H LYS 28 H LYS 28 16.287 -9.043 -1.574 920 HA LYS 28 HA LYS 28 17.276 -8.563 1.143 921 1HB LYS 28 1HB LYS 28 18.597 -8.859 -1.572 922 2HB LYS 28 2HB LYS 28 19.531 -8.672 -0.087 923 1HG LYS 28 1HG LYS 28 17.422 -10.813 -0.149 924 2HG LYS 28 2HG LYS 28 18.894 -11.017 -1.120 925 1HD LYS 28 1HD LYS 28 20.298 -10.712 0.902 926 2HD LYS 28 2HD LYS 28 18.843 -10.467 1.885 927 1HE LYS 28 1HE LYS 28 18.079 -12.794 1.150 928 2HE LYS 28 2HE LYS 28 19.660 -12.999 0.379 929 1HZ LYS 28 1HZ LYS 28 20.658 -12.648 2.543 930 2HZ LYS 28 2HZ LYS 28 19.163 -12.496 3.230 931 3HZ LYS 28 3HZ LYS 28 19.620 -13.930 2.560 932 H LYS 29 H LYS 29 19.158 -6.947 1.401 933 HA LYS 29 HA LYS 29 18.351 -4.245 1.004 934 1HB LYS 29 1HB LYS 29 20.611 -3.642 1.612 935 2HB LYS 29 2HB LYS 29 19.937 -4.837 2.718 936 1HG LYS 29 1HG LYS 29 21.287 -6.617 1.686 937 2HG LYS 29 2HG LYS 29 21.902 -5.480 0.467 938 1HD LYS 29 1HD LYS 29 22.961 -4.112 2.191 939 2HD LYS 29 2HD LYS 29 22.316 -5.165 3.468 940 1HE LYS 29 1HE LYS 29 23.617 -7.063 2.626 941 2HE LYS 29 2HE LYS 29 24.179 -6.115 1.234 942 1HZ LYS 29 1HZ LYS 29 25.351 -4.696 2.672 943 2HZ LYS 29 2HZ LYS 29 24.765 -5.445 4.028 944 3HZ LYS 29 3HZ LYS 29 25.782 -6.246 3.008 945 H SER 30 H SER 30 20.311 -6.384 -1.113 946 HA SER 30 HA SER 30 21.126 -4.353 -2.948 947 1HB SER 30 1HB SER 30 21.126 -6.538 -4.445 948 2HB SER 30 2HB SER 30 22.239 -6.445 -3.066 949 HG SER 30 HG SER 30 20.919 -8.413 -3.199 950 H GLU 31 H GLU 31 18.416 -6.771 -2.976 951 HA GLU 31 HA GLU 31 17.398 -5.720 -5.410 952 1HB GLU 31 1HB GLU 31 15.789 -7.261 -3.347 953 2HB GLU 31 2HB GLU 31 15.466 -7.083 -5.083 954 1HG GLU 31 1HG GLU 31 17.727 -8.581 -3.775 955 2HG GLU 31 2HG GLU 31 16.438 -9.228 -4.803 956 H LEU 32 H LEU 32 16.410 -4.985 -2.055 957 HA LEU 32 HA LEU 32 14.342 -3.180 -2.743 958 1HB LEU 32 1HB LEU 32 14.685 -4.122 -0.539 959 2HB LEU 32 2HB LEU 32 16.181 -3.195 -0.317 960 HG LEU 32 HG LEU 32 14.082 -2.386 0.868 961 1HD1 LEU 32 1HD1 LEU 32 16.070 -0.965 0.579 962 2HD1 LEU 32 2HD1 LEU 32 15.358 -0.285 -0.897 963 3HD1 LEU 32 3HD1 LEU 32 14.544 -0.072 0.657 964 1HD2 LEU 32 1HD2 LEU 32 13.175 -1.425 -1.853 965 2HD2 LEU 32 2HD2 LEU 32 12.463 -2.758 -0.921 966 3HD2 LEU 32 3HD2 LEU 32 12.417 -1.108 -0.284 967 H LYS 33 H LYS 33 17.888 -2.617 -2.259 968 HA LYS 33 HA LYS 33 17.861 0.162 -2.634 969 1HB LYS 33 1HB LYS 33 19.701 -0.978 -1.782 970 2HB LYS 33 2HB LYS 33 19.967 -1.968 -3.194 971 1HG LYS 33 1HG LYS 33 20.162 1.058 -3.420 972 2HG LYS 33 2HG LYS 33 21.457 0.122 -2.654 973 1HD LYS 33 1HD LYS 33 21.800 -1.234 -4.632 974 2HD LYS 33 2HD LYS 33 20.511 -0.382 -5.492 975 1HE LYS 33 1HE LYS 33 22.650 0.513 -6.175 976 2HE LYS 33 2HE LYS 33 21.747 1.755 -5.294 977 1HZ LYS 33 1HZ LYS 33 24.063 1.610 -4.658 978 2HZ LYS 33 2HZ LYS 33 23.072 1.303 -3.382 979 3HZ LYS 33 3HZ LYS 33 23.855 0.062 -4.136 980 H GLU 34 H GLU 34 18.428 -2.381 -5.180 981 HA GLU 34 HA GLU 34 18.531 -0.253 -7.150 982 1HB GLU 34 1HB GLU 34 18.417 -2.072 -8.873 983 2HB GLU 34 2HB GLU 34 19.834 -1.951 -7.870 984 1HG GLU 34 1HG GLU 34 17.761 -3.835 -6.817 985 2HG GLU 34 2HG GLU 34 18.371 -4.247 -8.417 986 H LEU 35 H LEU 35 15.939 -2.387 -5.997 987 HA LEU 35 HA LEU 35 13.905 -1.753 -7.844 988 1HB LEU 35 1HB LEU 35 13.701 -3.429 -6.108 989 2HB LEU 35 2HB LEU 35 13.894 -2.220 -4.850 990 HG LEU 35 HG LEU 35 11.670 -3.036 -4.918 991 1HD1 LEU 35 1HD1 LEU 35 12.001 -0.582 -4.424 992 2HD1 LEU 35 2HD1 LEU 35 11.384 -0.250 -6.068 993 3HD1 LEU 35 3HD1 LEU 35 10.377 -1.078 -4.893 994 1HD2 LEU 35 1HD2 LEU 35 11.507 -3.829 -7.181 995 2HD2 LEU 35 2HD2 LEU 35 10.147 -2.759 -6.828 996 3HD2 LEU 35 3HD2 LEU 35 11.506 -2.170 -7.818 997 H ILE 36 H ILE 36 14.778 0.021 -4.764 998 HA ILE 36 HA ILE 36 12.909 2.107 -5.322 999 HB ILE 36 HB ILE 36 15.350 2.058 -3.513 1000 1HG1 ILE 36 1HG1 ILE 36 12.323 1.892 -3.055 1001 2HG1 ILE 36 2HG1 ILE 36 13.486 0.578 -2.893 1002 1HG2 ILE 36 1HG2 ILE 36 14.937 4.415 -4.175 1003 2HG2 ILE 36 2HG2 ILE 36 13.214 4.224 -3.784 1004 3HG2 ILE 36 3HG2 ILE 36 14.432 4.143 -2.520 1005 1HD1 ILE 36 1HD1 ILE 36 13.206 3.016 -1.103 1006 2HD1 ILE 36 2HD1 ILE 36 12.985 1.317 -0.693 1007 3HD1 ILE 36 3HD1 ILE 36 14.615 1.935 -1.051 1008 H ASN 37 H ASN 37 16.469 2.041 -5.832 1009 HA ASN 37 HA ASN 37 16.749 4.546 -7.008 1010 1HB ASN 37 1HB ASN 37 18.213 1.945 -7.535 1011 2HB ASN 37 2HB ASN 37 18.598 3.427 -8.429 1012 1HD2 ASN 37 2HD2 ASN 37 18.423 2.128 -5.073 1013 2HD2 ASN 37 1HD2 ASN 37 19.655 3.229 -4.454 1014 H ASN 38 H ASN 38 15.732 1.541 -8.769 1015 HA ASN 38 HA ASN 38 15.605 2.963 -11.316 1016 1HB ASN 38 1HB ASN 38 14.757 0.205 -10.353 1017 2HB ASN 38 2HB ASN 38 14.377 0.813 -11.970 1018 1HD2 ASN 38 1HD2 ASN 38 17.043 -0.120 -9.843 1019 2HD2 ASN 38 2HD2 ASN 38 18.223 -0.292 -11.149 1020 H GLU 39 H GLU 39 13.203 1.832 -8.888 1021 HA GLU 39 HA GLU 39 11.049 2.572 -10.700 1022 1HB GLU 39 1HB GLU 39 11.033 1.367 -7.928 1023 2HB GLU 39 2HB GLU 39 9.602 1.722 -8.886 1024 1HG GLU 39 1HG GLU 39 11.864 -0.126 -9.795 1025 2HG GLU 39 2HG GLU 39 10.330 -0.661 -9.106 1026 H LEU 40 H LEU 40 12.367 3.867 -7.642 1027 HA LEU 40 HA LEU 40 10.093 5.792 -7.484 1028 1HB LEU 40 1HB LEU 40 11.919 4.455 -5.583 1029 2HB LEU 40 2HB LEU 40 11.636 6.150 -5.227 1030 HG LEU 40 HG LEU 40 9.216 5.801 -5.181 1031 1HD1 LEU 40 1HD1 LEU 40 9.884 2.873 -5.694 1032 2HD1 LEU 40 2HD1 LEU 40 8.300 3.500 -5.181 1033 3HD1 LEU 40 3HD1 LEU 40 8.945 3.943 -6.766 1034 1HD2 LEU 40 1HD2 LEU 40 10.560 5.537 -3.128 1035 2HD2 LEU 40 2HD2 LEU 40 9.175 4.432 -3.118 1036 3HD2 LEU 40 3HD2 LEU 40 10.795 3.815 -3.491 1037 H SER 41 H SER 41 12.711 5.932 -9.332 1038 HA SER 41 HA SER 41 14.458 7.789 -8.544 1039 1HB SER 41 1HB SER 41 13.302 7.853 -11.343 1040 2HB SER 41 2HB SER 41 14.995 7.989 -10.842 1041 HG SER 41 HG SER 41 14.886 5.763 -10.240 1042 H HIS 42 H HIS 42 11.141 8.559 -9.540 1043 HA HIS 42 HA HIS 42 11.761 11.473 -9.698 1044 1HB HIS 42 1HB HIS 42 9.215 10.035 -10.483 1045 2HB HIS 42 2HB HIS 42 9.715 11.675 -10.900 1046 HD1 HIS 42 HD1 HIS 42 9.985 8.135 -12.122 1047 HD2 HIS 42 HD2 HIS 42 12.048 11.778 -12.560 1048 HE1 HIS 42 HE1 HIS 42 11.540 7.860 -14.130 1049 H PHE 43 H PHE 43 10.615 9.156 -7.510 1050 HA PHE 43 HA PHE 43 8.817 10.999 -5.996 1051 1HB PHE 43 1HB PHE 43 9.415 8.027 -5.980 1052 2HB PHE 43 2HB PHE 43 8.762 8.804 -4.557 1053 HD1 PHE 43 HD1 PHE 43 7.560 9.995 -7.888 1054 HD2 PHE 43 HD2 PHE 43 6.885 7.325 -4.567 1055 HE1 PHE 43 HE1 PHE 43 5.304 9.496 -8.739 1056 HE2 PHE 43 HE2 PHE 43 4.576 6.931 -5.344 1057 HZ PHE 43 HZ PHE 43 3.869 7.841 -7.581 1058 H LEU 44 H LEU 44 11.647 8.840 -5.515 1059 HA LEU 44 HA LEU 44 12.615 10.582 -3.299 1060 1HB LEU 44 1HB LEU 44 12.560 7.566 -3.592 1061 2HB LEU 44 2HB LEU 44 13.882 8.344 -2.732 1062 HG LEU 44 HG LEU 44 12.345 9.409 -1.162 1063 1HD1 LEU 44 1HD1 LEU 44 10.281 9.621 -2.408 1064 2HD1 LEU 44 2HD1 LEU 44 10.170 7.858 -2.625 1065 3HD1 LEU 44 3HD1 LEU 44 9.986 8.589 -1.014 1066 1HD2 LEU 44 1HD2 LEU 44 12.013 6.393 -1.399 1067 2HD2 LEU 44 2HD2 LEU 44 13.375 7.245 -0.642 1068 3HD2 LEU 44 3HD2 LEU 44 11.758 7.358 0.071 1069 H GLU 45 H GLU 45 14.907 10.730 -3.152 1070 HA GLU 45 HA GLU 45 16.272 11.081 -5.666 1071 1HB GLU 45 1HB GLU 45 17.384 10.789 -2.848 1072 2HB GLU 45 2HB GLU 45 18.236 11.484 -4.228 1073 1HG GLU 45 1HG GLU 45 16.543 13.327 -4.310 1074 2HG GLU 45 2HG GLU 45 15.753 12.662 -2.870 1075 H GLU 46 H GLU 46 18.315 9.858 -6.225 1076 HA GLU 46 HA GLU 46 18.042 6.997 -6.127 1077 1HB GLU 46 1HB GLU 46 20.099 6.927 -7.288 1078 2HB GLU 46 2HB GLU 46 19.203 8.301 -7.946 1079 1HG GLU 46 1HG GLU 46 20.534 9.803 -6.396 1080 2HG GLU 46 2HG GLU 46 21.383 8.354 -5.840 1081 H ILE 47 H ILE 47 19.498 5.598 -5.056 1082 HA ILE 47 HA ILE 47 20.496 6.587 -2.424 1083 HB ILE 47 HB ILE 47 18.880 4.038 -2.442 1084 1HG1 ILE 47 1HG1 ILE 47 17.773 6.842 -2.418 1085 2HG1 ILE 47 2HG1 ILE 47 17.277 5.468 -3.427 1086 1HG2 ILE 47 1HG2 ILE 47 18.749 4.530 -0.094 1087 2HG2 ILE 47 2HG2 ILE 47 20.423 4.883 -0.558 1088 3HG2 ILE 47 3HG2 ILE 47 19.272 6.204 -0.343 1089 1HD1 ILE 47 1HD1 ILE 47 16.821 5.781 -0.429 1090 2HD1 ILE 47 2HD1 ILE 47 15.629 5.873 -1.725 1091 3HD1 ILE 47 3HD1 ILE 47 16.442 4.320 -1.383 1092 H LYS 48 H LYS 48 22.544 6.368 -3.282 1093 HA LYS 48 HA LYS 48 23.513 3.700 -4.064 1094 1HB LYS 48 1HB LYS 48 25.620 4.832 -4.513 1095 2HB LYS 48 2HB LYS 48 24.247 5.545 -5.365 1096 1HG LYS 48 1HG LYS 48 24.182 7.410 -3.691 1097 2HG LYS 48 2HG LYS 48 25.594 6.696 -2.878 1098 1HD LYS 48 1HD LYS 48 26.903 6.947 -4.970 1099 2HD LYS 48 2HD LYS 48 25.472 7.602 -5.794 1100 1HE LYS 48 1HE LYS 48 25.409 9.504 -4.197 1101 2HE LYS 48 2HE LYS 48 26.846 8.863 -3.372 1102 1HZ LYS 48 1HZ LYS 48 28.055 9.130 -5.414 1103 2HZ LYS 48 2HZ LYS 48 26.720 9.724 -6.177 1104 3HZ LYS 48 3HZ LYS 48 27.401 10.565 -4.936 1105 H GLU 49 H GLU 49 23.378 5.671 -1.193 1106 HA GLU 49 HA GLU 49 25.742 4.616 0.042 1107 1HB GLU 49 1HB GLU 49 24.378 6.847 0.416 1108 2HB GLU 49 2HB GLU 49 23.549 5.919 1.660 1109 1HG GLU 49 1HG GLU 49 26.582 6.326 1.420 1110 2HG GLU 49 2HG GLU 49 25.505 7.298 2.420 1111 H GLN 50 H GLN 50 25.486 2.393 -0.205 1112 HA GLN 50 HA GLN 50 23.613 0.625 0.384 1113 1HB GLN 50 1HB GLN 50 26.021 0.206 -0.291 1114 2HB GLN 50 2HB GLN 50 26.397 0.125 1.441 1115 1HG GLN 50 1HG GLN 50 24.493 -1.635 1.592 1116 2HG GLN 50 2HG GLN 50 24.504 -1.654 -0.176 1117 1HE2 GLN 50 1HE2 GLN 50 27.395 -1.435 -0.566 1118 2HE2 GLN 50 2HE2 GLN 50 28.081 -2.926 0.049 1119 H GLU 51 H GLU 51 25.599 2.105 3.065 1120 HA GLU 51 HA GLU 51 24.461 0.482 5.106 1121 1HB GLU 51 1HB GLU 51 25.511 3.337 5.368 1122 2HB GLU 51 2HB GLU 51 25.135 2.221 6.678 1123 1HG GLU 51 1HG GLU 51 27.410 1.941 6.509 1124 2HG GLU 51 2HG GLU 51 26.829 0.585 5.542 1125 H VAL 52 H VAL 52 23.228 3.441 3.537 1126 HA VAL 52 HA VAL 52 21.066 3.724 5.473 1127 HB VAL 52 HB VAL 52 21.332 5.063 2.760 1128 1HG1 VAL 52 1HG1 VAL 52 19.043 5.145 3.608 1129 2HG1 VAL 52 2HG1 VAL 52 19.610 5.561 5.240 1130 3HG1 VAL 52 3HG1 VAL 52 19.777 6.718 3.920 1131 1HG2 VAL 52 1HG2 VAL 52 22.177 5.985 5.549 1132 2HG2 VAL 52 2HG2 VAL 52 23.268 5.590 4.211 1133 3HG2 VAL 52 3HG2 VAL 52 22.203 6.982 4.076 1134 H VAL 53 H VAL 53 21.493 2.266 2.176 1135 HA VAL 53 HA VAL 53 18.767 1.657 1.875 1136 HB VAL 53 HB VAL 53 19.183 0.493 0.101 1137 1HG1 VAL 53 1HG1 VAL 53 20.761 1.628 -1.202 1138 2HG1 VAL 53 2HG1 VAL 53 20.262 2.734 0.065 1139 3HG1 VAL 53 3HG1 VAL 53 21.829 1.916 0.170 1140 1HG2 VAL 53 1HG2 VAL 53 21.390 -0.742 -0.424 1141 2HG2 VAL 53 2HG2 VAL 53 21.663 -0.726 1.300 1142 3HG2 VAL 53 3HG2 VAL 53 20.208 -1.484 0.669 1143 H ASP 54 H ASP 54 21.398 -0.115 3.492 1144 HA ASP 54 HA ASP 54 19.858 -2.344 4.369 1145 1HB ASP 54 1HB ASP 54 22.319 -2.288 4.430 1146 2HB ASP 54 2HB ASP 54 22.269 -1.067 5.714 1147 H LYS 55 H LYS 55 20.463 0.887 5.908 1148 HA LYS 55 HA LYS 55 19.021 0.330 8.263 1149 1HB LYS 55 1HB LYS 55 20.467 2.267 7.995 1150 2HB LYS 55 2HB LYS 55 19.322 3.024 6.878 1151 1HG LYS 55 1HG LYS 55 18.183 2.151 9.515 1152 2HG LYS 55 2HG LYS 55 19.389 3.446 9.576 1153 1HD LYS 55 1HD LYS 55 18.073 4.814 8.014 1154 2HD LYS 55 2HD LYS 55 16.892 3.512 7.813 1155 1HE LYS 55 1HE LYS 55 16.019 5.164 9.367 1156 2HE LYS 55 2HE LYS 55 16.296 3.636 10.211 1157 1HZ LYS 55 1HZ LYS 55 17.069 5.525 11.457 1158 2HZ LYS 55 2HZ LYS 55 18.331 4.549 11.073 1159 3HZ LYS 55 3HZ LYS 55 18.103 5.958 10.253 1160 H VAL 56 H VAL 56 17.753 1.764 5.158 1161 HA VAL 56 HA VAL 56 15.095 1.914 6.223 1162 HB VAL 56 HB VAL 56 14.216 2.147 4.010 1163 1HG1 VAL 56 1HG1 VAL 56 16.727 3.836 4.395 1164 2HG1 VAL 56 2HG1 VAL 56 15.295 4.244 3.430 1165 3HG1 VAL 56 3HG1 VAL 56 15.154 4.105 5.187 1166 1HG2 VAL 56 1HG2 VAL 56 17.025 1.751 3.019 1167 2HG2 VAL 56 2HG2 VAL 56 15.676 0.635 2.709 1168 3HG2 VAL 56 3HG2 VAL 56 15.655 2.269 2.026 1169 H MET 57 H MET 57 16.760 -0.684 4.340 1170 HA MET 57 HA MET 57 14.670 -2.534 4.153 1171 1HB MET 57 1HB MET 57 16.756 -2.950 3.105 1172 2HB MET 57 2HB MET 57 17.658 -2.760 4.596 1173 1HG MET 57 1HG MET 57 17.664 -5.050 3.952 1174 2HG MET 57 2HG MET 57 16.813 -4.884 5.479 1175 1HE MET 57 1HE MET 57 16.450 -4.949 1.690 1176 2HE MET 57 2HE MET 57 14.808 -5.501 1.379 1177 3HE MET 57 3HE MET 57 15.076 -3.889 2.058 1178 H GLU 58 H GLU 58 16.996 -2.192 6.864 1179 HA GLU 58 HA GLU 58 15.852 -4.043 8.636 1180 1HB GLU 58 1HB GLU 58 18.046 -3.016 8.954 1181 2HB GLU 58 2HB GLU 58 17.316 -1.426 9.216 1182 1HG GLU 58 1HG GLU 58 16.226 -2.196 11.267 1183 2HG GLU 58 2HG GLU 58 16.764 -3.852 10.957 1184 H THR 59 H THR 59 15.180 -0.572 8.252 1185 HA THR 59 HA THR 59 13.204 -0.314 10.256 1186 HB THR 59 HB THR 59 13.520 1.244 7.661 1187 HG1 THR 59 HG1 THR 59 15.337 1.291 8.964 1188 1HG2 THR 59 1HG2 THR 59 11.314 1.709 8.535 1189 2HG2 THR 59 2HG2 THR 59 11.978 1.941 10.173 1190 3HG2 THR 59 3HG2 THR 59 12.389 3.071 8.863 1191 H LEU 60 H LEU 60 12.842 -1.452 6.836 1192 HA LEU 60 HA LEU 60 9.926 -1.538 7.160 1193 1HB LEU 60 1HB LEU 60 11.230 -3.147 4.994 1194 2HB LEU 60 2HB LEU 60 9.679 -2.346 5.068 1195 HG LEU 60 HG LEU 60 12.340 -1.016 4.590 1196 1HD1 LEU 60 1HD1 LEU 60 9.877 -1.426 2.878 1197 2HD1 LEU 60 2HD1 LEU 60 11.270 -0.412 2.441 1198 3HD1 LEU 60 3HD1 LEU 60 11.482 -2.155 2.671 1199 1HD2 LEU 60 1HD2 LEU 60 10.972 0.503 6.001 1200 2HD2 LEU 60 2HD2 LEU 60 11.045 1.089 4.341 1201 3HD2 LEU 60 3HD2 LEU 60 9.584 0.257 4.929 1202 H ASP 61 H ASP 61 12.606 -3.797 7.464 1203 HA ASP 61 HA ASP 61 11.216 -6.220 7.304 1204 1HB ASP 61 1HB ASP 61 13.586 -6.020 6.923 1205 2HB ASP 61 2HB ASP 61 13.852 -5.500 8.593 1206 H SER 62 H SER 62 9.352 -5.336 8.797 1207 HA SER 62 HA SER 62 9.398 -5.685 11.569 1208 1HB SER 62 1HB SER 62 7.171 -6.473 9.639 1209 2HB SER 62 2HB SER 62 7.008 -6.052 11.355 1210 HG SER 62 HG SER 62 7.503 -4.378 9.151 1211 H ASP 63 H ASP 63 9.615 -8.084 9.013 1212 HA ASP 63 HA ASP 63 8.825 -10.376 10.567 1213 1HB ASP 63 1HB ASP 63 10.622 -10.244 8.107 1214 2HB ASP 63 2HB ASP 63 9.754 -11.655 8.716 1215 H GLY 64 H GLY 64 11.701 -8.394 10.610 1216 1HA GLY 64 1HA GLY 64 13.805 -8.693 11.433 1217 2HA GLY 64 2HA GLY 64 13.086 -9.855 12.562 1218 H ASP 65 H ASP 65 13.348 -9.975 8.976 1219 HA ASP 65 HA ASP 65 14.696 -12.646 9.185 1220 1HB ASP 65 1HB ASP 65 12.296 -12.702 8.507 1221 2HB ASP 65 2HB ASP 65 12.670 -11.612 7.157 1222 H GLY 66 H GLY 66 15.603 -9.656 8.816 1223 1HA GLY 66 1HA GLY 66 17.308 -8.646 7.731 1224 2HA GLY 66 2HA GLY 66 17.632 -10.102 6.771 1225 H GLU 67 H GLU 67 15.792 -10.633 5.219 1226 HA GLU 67 HA GLU 67 15.577 -8.602 3.293 1227 1HB GLU 67 1HB GLU 67 13.969 -11.190 3.597 1228 2HB GLU 67 2HB GLU 67 14.044 -10.147 2.169 1229 1HG GLU 67 1HG GLU 67 15.498 -11.859 1.641 1230 2HG GLU 67 2HG GLU 67 16.544 -10.516 2.110 1231 H CYS 68 H CYS 68 13.789 -7.568 2.418 1232 HA CYS 68 HA CYS 68 11.649 -6.697 4.286 1233 1HB CYS 68 1HB CYS 68 12.617 -4.864 3.128 1234 2HB CYS 68 2HB CYS 68 12.687 -5.729 1.594 1235 HG CYS 68 HG CYS 68 10.115 -5.970 1.269 1236 H ASP 69 H ASP 69 9.936 -8.097 4.350 1237 HA ASP 69 HA ASP 69 9.393 -9.992 2.228 1238 1HB ASP 69 1HB ASP 69 8.973 -10.484 4.611 1239 2HB ASP 69 2HB ASP 69 7.723 -9.217 4.651 1240 H PHE 70 H PHE 70 7.403 -10.030 0.938 1241 HA PHE 70 HA PHE 70 6.702 -7.745 -0.379 1242 1HB PHE 70 1HB PHE 70 6.023 -10.041 -1.032 1243 2HB PHE 70 2HB PHE 70 4.796 -10.030 0.231 1244 HD1 PHE 70 HD1 PHE 70 5.990 -7.908 -2.630 1245 HD2 PHE 70 HD2 PHE 70 2.583 -9.302 -0.407 1246 HE1 PHE 70 HE1 PHE 70 4.498 -6.881 -4.309 1247 HE2 PHE 70 HE2 PHE 70 1.085 -8.194 -2.024 1248 HZ PHE 70 HZ PHE 70 2.046 -6.980 -4.007 1249 H GLN 71 H GLN 71 5.165 -8.899 2.670 1250 HA GLN 71 HA GLN 71 3.137 -6.895 2.730 1251 1HB GLN 71 1HB GLN 71 4.559 -8.088 5.153 1252 2HB GLN 71 2HB GLN 71 2.966 -7.327 5.101 1253 1HG GLN 71 1HG GLN 71 3.804 -10.046 4.076 1254 2HG GLN 71 2HG GLN 71 2.489 -9.628 5.161 1255 1HE2 GLN 71 2HE2 GLN 71 0.819 -8.003 4.021 1256 2HE2 GLN 71 1HE2 GLN 71 0.340 -8.518 2.399 1257 H GLU 72 H GLU 72 6.541 -6.744 3.750 1258 HA GLU 72 HA GLU 72 6.263 -4.134 5.057 1259 1HB GLU 72 1HB GLU 72 8.786 -5.574 4.191 1260 2HB GLU 72 2HB GLU 72 8.593 -4.272 5.369 1261 1HG GLU 72 1HG GLU 72 7.725 -7.168 5.620 1262 2HG GLU 72 2HG GLU 72 8.833 -6.276 6.645 1263 H PHE 73 H PHE 73 7.362 -5.373 1.925 1264 HA PHE 73 HA PHE 73 8.010 -2.863 0.724 1265 1HB PHE 73 1HB PHE 73 8.631 -4.752 -0.443 1266 2HB PHE 73 2HB PHE 73 7.064 -5.520 -0.310 1267 HD1 PHE 73 HD1 PHE 73 9.002 -2.857 -2.062 1268 HD2 PHE 73 HD2 PHE 73 5.314 -5.092 -1.958 1269 HE1 PHE 73 HE1 PHE 73 8.500 -2.172 -4.405 1270 HE2 PHE 73 HE2 PHE 73 4.806 -4.347 -4.274 1271 HZ PHE 73 HZ PHE 73 6.464 -2.966 -5.526 1272 H MET 74 H MET 74 4.825 -4.615 0.743 1273 HA MET 74 HA MET 74 3.389 -2.537 -0.498 1274 1HB MET 74 1HB MET 74 2.503 -4.731 1.400 1275 2HB MET 74 2HB MET 74 1.371 -3.582 0.687 1276 1HG MET 74 1HG MET 74 3.170 -5.477 -0.859 1277 2HG MET 74 2HG MET 74 1.444 -5.670 -0.592 1278 1HE MET 74 1HE MET 74 -0.430 -4.089 -1.762 1279 2HE MET 74 2HE MET 74 0.361 -2.604 -1.174 1280 3HE MET 74 3HE MET 74 -0.035 -2.786 -2.893 1281 H ALA 75 H ALA 75 4.025 -3.056 2.962 1282 HA ALA 75 HA ALA 75 2.523 -0.859 3.937 1283 1HB ALA 75 1HB ALA 75 3.947 -0.950 5.914 1284 2HB ALA 75 2HB ALA 75 3.533 -2.592 5.384 1285 3HB ALA 75 3HB ALA 75 5.148 -1.929 5.054 1286 H PHE 76 H PHE 76 5.883 -0.967 2.708 1287 HA PHE 76 HA PHE 76 6.485 1.814 3.226 1288 1HB PHE 76 1HB PHE 76 8.271 0.279 2.979 1289 2HB PHE 76 2HB PHE 76 7.687 -0.299 1.435 1290 HD1 PHE 76 HD1 PHE 76 9.571 2.461 3.098 1291 HD2 PHE 76 HD2 PHE 76 8.086 0.826 -0.630 1292 HE1 PHE 76 HE1 PHE 76 10.983 4.030 1.827 1293 HE2 PHE 76 HE2 PHE 76 9.599 2.321 -1.875 1294 HZ PHE 76 HZ PHE 76 10.991 3.987 -0.663 1295 H VAL 77 H VAL 77 5.419 0.044 0.321 1296 HA VAL 77 HA VAL 77 5.105 2.209 -1.435 1297 HB VAL 77 HB VAL 77 3.585 -0.415 -1.198 1298 1HG1 VAL 77 1HG1 VAL 77 2.128 1.158 -2.389 1299 2HG1 VAL 77 2HG1 VAL 77 3.468 1.617 -3.462 1300 3HG1 VAL 77 3HG1 VAL 77 2.805 -0.032 -3.494 1301 1HG2 VAL 77 1HG2 VAL 77 4.985 -1.083 -3.088 1302 2HG2 VAL 77 2HG2 VAL 77 5.701 0.538 -3.187 1303 3HG2 VAL 77 3HG2 VAL 77 6.053 -0.504 -1.804 1304 H ALA 78 H ALA 78 2.764 0.939 1.024 1305 HA ALA 78 HA ALA 78 0.614 2.550 0.293 1306 1HB ALA 78 1HB ALA 78 -0.242 2.172 2.557 1307 2HB ALA 78 2HB ALA 78 0.492 0.692 1.915 1308 3HB ALA 78 3HB ALA 78 1.367 1.670 3.114 1309 H MET 79 H MET 79 3.143 3.329 2.755 1310 HA MET 79 HA MET 79 2.012 5.948 3.229 1311 1HB MET 79 1HB MET 79 4.155 6.473 4.382 1312 2HB MET 79 2HB MET 79 3.190 5.136 5.020 1313 1HG MET 79 1HG MET 79 4.721 3.515 4.032 1314 2HG MET 79 2HG MET 79 5.723 4.825 3.360 1315 1HE MET 79 1HE MET 79 7.708 3.111 6.394 1316 2HE MET 79 2HE MET 79 6.448 2.284 5.449 1317 3HE MET 79 3HE MET 79 7.657 3.318 4.626 1318 H ILE 80 H ILE 80 4.712 4.827 1.144 1319 HA ILE 80 HA ILE 80 5.532 7.394 0.237 1320 HB ILE 80 HB ILE 80 5.494 4.655 -1.068 1321 1HG1 ILE 80 1HG1 ILE 80 6.889 5.075 1.065 1322 2HG1 ILE 80 2HG1 ILE 80 7.670 4.348 -0.337 1323 1HG2 ILE 80 1HG2 ILE 80 6.824 7.189 -2.075 1324 2HG2 ILE 80 2HG2 ILE 80 7.233 5.547 -2.626 1325 3HG2 ILE 80 3HG2 ILE 80 5.613 6.184 -2.899 1326 1HD1 ILE 80 1HD1 ILE 80 7.869 7.297 0.396 1327 2HD1 ILE 80 2HD1 ILE 80 9.051 6.045 0.819 1328 3HD1 ILE 80 3HD1 ILE 80 8.773 6.441 -0.882 1329 H THR 81 H THR 81 3.082 5.172 -1.072 1330 HA THR 81 HA THR 81 2.198 6.772 -3.236 1331 HB THR 81 HB THR 81 0.669 4.737 -1.553 1332 HG1 THR 81 HG1 THR 81 2.521 3.883 -2.496 1333 1HG2 THR 81 1HG2 THR 81 0.056 5.006 -4.449 1334 2HG2 THR 81 2HG2 THR 81 -0.996 4.659 -3.084 1335 3HG2 THR 81 3HG2 THR 81 -0.518 6.339 -3.451 1336 H THR 82 H THR 82 1.123 6.582 0.243 1337 HA THR 82 HA THR 82 -0.960 8.494 0.003 1338 HB THR 82 HB THR 82 0.743 7.901 2.446 1339 HG1 THR 82 HG1 THR 82 -0.330 6.075 1.571 1340 1HG2 THR 82 1HG2 THR 82 -2.027 9.148 2.156 1341 2HG2 THR 82 2HG2 THR 82 -1.267 8.657 3.682 1342 3HG2 THR 82 3HG2 THR 82 -0.565 9.977 2.737 1343 H ALA 83 H ALA 83 2.567 8.988 0.642 1344 HA ALA 83 HA ALA 83 2.386 11.825 0.916 1345 1HB ALA 83 1HB ALA 83 4.756 11.854 0.421 1346 2HB ALA 83 2HB ALA 83 4.388 10.499 1.502 1347 3HB ALA 83 3HB ALA 83 4.700 10.206 -0.224 1348 H CYS 84 H CYS 84 2.831 9.761 -1.997 1349 HA CYS 84 HA CYS 84 2.924 11.929 -3.855 1350 1HB CYS 84 1HB CYS 84 3.627 9.685 -4.469 1351 2HB CYS 84 2HB CYS 84 1.950 9.091 -4.342 1352 HG CYS 84 HG CYS 84 2.662 9.454 -6.856 1353 H HIS 85 H HIS 85 0.084 10.096 -2.583 1354 HA HIS 85 HA HIS 85 -1.950 11.423 -3.993 1355 1HB HIS 85 1HB HIS 85 -2.414 9.478 -2.698 1356 2HB HIS 85 2HB HIS 85 -1.852 10.220 -1.211 1357 HD1 HIS 85 HD1 HIS 85 -3.516 11.810 0.099 1358 HD2 HIS 85 HD2 HIS 85 -4.885 10.132 -3.501 1359 HE1 HIS 85 HE1 HIS 85 -6.045 12.141 0.071 1360 H GLU 86 H GLU 86 -0.534 12.289 -0.779 1361 HA GLU 86 HA GLU 86 -1.947 14.650 -0.286 1362 1HB GLU 86 1HB GLU 86 0.965 13.959 0.249 1363 2HB GLU 86 2HB GLU 86 0.215 15.407 0.884 1364 1HG GLU 86 1HG GLU 86 -1.353 14.131 2.217 1365 2HG GLU 86 2HG GLU 86 -0.894 12.622 1.439 1366 H PHE 87 H PHE 87 1.071 14.275 -2.168 1367 HA PHE 87 HA PHE 87 1.335 16.966 -2.972 1368 1HB PHE 87 1HB PHE 87 2.999 15.085 -3.173 1369 2HB PHE 87 2HB PHE 87 2.128 14.506 -4.578 1370 HD1 PHE 87 HD1 PHE 87 2.013 18.051 -4.943 1371 HD2 PHE 87 HD2 PHE 87 4.715 14.673 -5.151 1372 HE1 PHE 87 HE1 PHE 87 3.464 19.302 -6.450 1373 HE2 PHE 87 HE2 PHE 87 6.169 15.958 -6.685 1374 HZ PHE 87 HZ PHE 87 5.549 18.277 -7.344 1375 H PHE 88 H PHE 88 -0.141 14.236 -4.760 1376 HA PHE 88 HA PHE 88 -0.841 15.645 -7.094 1377 1HB PHE 88 1HB PHE 88 -0.700 13.210 -6.831 1378 2HB PHE 88 2HB PHE 88 -2.115 13.221 -5.767 1379 HD1 PHE 88 HD1 PHE 88 -4.408 13.757 -6.676 1380 HD2 PHE 88 HD2 PHE 88 -0.978 13.155 -9.236 1381 HE1 PHE 88 HE1 PHE 88 -5.907 13.319 -8.588 1382 HE2 PHE 88 HE2 PHE 88 -2.498 12.671 -11.135 1383 HZ PHE 88 HZ PHE 88 -4.960 12.782 -10.825 1384 H GLU 89 H GLU 89 -2.688 15.154 -4.076 1385 HA GLU 89 HA GLU 89 -5.187 16.103 -5.065 1386 1HB GLU 89 1HB GLU 89 -3.987 15.998 -2.280 1387 2HB GLU 89 2HB GLU 89 -5.667 16.459 -2.597 1388 1HG GLU 89 1HG GLU 89 -4.483 13.771 -3.452 1389 2HG GLU 89 2HG GLU 89 -5.285 14.066 -1.907 1390 H HIS 90 H HIS 90 -2.685 17.876 -3.100 1391 HA HIS 90 HA HIS 90 -4.228 20.351 -3.517 1392 1HB HIS 90 1HB HIS 90 -3.216 19.817 -1.359 1393 2HB HIS 90 2HB HIS 90 -1.605 19.885 -2.069 1394 HD1 HIS 90 HD1 HIS 90 -1.574 21.788 0.078 1395 HD2 HIS 90 HD2 HIS 90 -3.658 22.727 -3.459 1396 HE1 HIS 90 HE1 HIS 90 -1.910 24.322 0.066 1397 H GLU 91 H GLU 91 -3.966 19.959 -5.898 1398 HA GLU 91 HA GLU 91 -1.605 21.499 -6.939 1399 1HB GLU 91 1HB GLU 91 -3.258 19.280 -8.223 1400 2HB GLU 91 2HB GLU 91 -2.110 20.298 -9.103 1401 1HG GLU 91 1HG GLU 91 -1.376 18.545 -6.720 1402 2HG GLU 91 2HG GLU 91 -1.190 18.062 -8.406 1403 1H LYS 62 H1 LYS 62 -31.741 -27.656 -3.003 1404 2H LYS 62 H2 LYS 62 -32.158 -26.661 -1.748 1405 3H LYS 62 H3 LYS 62 -30.615 -27.217 -1.877 1406 HA LYS 62 HA LYS 62 -30.252 -26.005 -3.859 1407 1HB LYS 62 1HB LYS 62 -33.019 -24.850 -3.323 1408 2HB LYS 62 2HB LYS 62 -31.929 -24.378 -4.629 1409 1HG LYS 62 1HG LYS 62 -33.310 -27.085 -4.316 1410 2HG LYS 62 2HG LYS 62 -33.740 -25.784 -5.425 1411 1HD LYS 62 1HD LYS 62 -31.506 -26.009 -6.550 1412 2HD LYS 62 2HD LYS 62 -31.118 -27.356 -5.467 1413 1HE LYS 62 1HE LYS 62 -31.862 -28.250 -7.579 1414 2HE LYS 62 2HE LYS 62 -33.061 -28.637 -6.336 1415 1HZ LYS 62 1HZ LYS 62 -34.388 -26.825 -7.148 1416 2HZ LYS 62 2HZ LYS 62 -33.251 -26.432 -8.274 1417 3HZ LYS 62 3HZ LYS 62 -34.048 -27.869 -8.373 1418 H ARG 63 H ARG 63 -29.589 -23.734 -3.823 1419 HA ARG 63 HA ARG 63 -28.818 -22.916 -1.127 1420 1HB ARG 63 1HB ARG 63 -28.223 -21.918 -3.931 1421 2HB ARG 63 2HB ARG 63 -27.729 -21.027 -2.494 1422 1HG ARG 63 1HG ARG 63 -25.917 -22.361 -3.360 1423 2HG ARG 63 2HG ARG 63 -26.321 -22.782 -1.699 1424 1HD ARG 63 1HD ARG 63 -27.304 -24.403 -4.087 1425 2HD ARG 63 2HD ARG 63 -25.738 -24.681 -3.305 1426 HE ARG 63 HE ARG 63 -27.621 -24.657 -1.244 1427 1HH1 ARG 63 2HH1 ARG 63 -26.819 -26.657 -4.037 1428 2HH1 ARG 63 1HH1 ARG 63 -27.465 -28.124 -3.356 1429 1HH2 ARG 63 2HH2 ARG 63 -28.472 -26.535 -0.336 1430 2HH2 ARG 63 1HH2 ARG 63 -28.391 -28.060 -1.179 1431 H LEU 64 H LEU 64 -31.246 -22.828 -0.693 1432 HA LEU 64 HA LEU 64 -32.191 -20.001 -0.936 1433 1HB LEU 64 1HB LEU 64 -33.834 -22.557 -0.698 1434 2HB LEU 64 2HB LEU 64 -34.482 -20.913 -0.735 1435 HG LEU 64 HG LEU 64 -32.981 -22.264 -3.032 1436 1HD1 LEU 64 1HD1 LEU 64 -35.192 -22.389 -4.102 1437 2HD1 LEU 64 2HD1 LEU 64 -35.177 -23.295 -2.579 1438 3HD1 LEU 64 3HD1 LEU 64 -35.951 -21.697 -2.652 1439 1HD2 LEU 64 1HD2 LEU 64 -34.461 -19.596 -2.882 1440 2HD2 LEU 64 2HD2 LEU 64 -32.717 -19.820 -3.141 1441 3HD2 LEU 64 3HD2 LEU 64 -33.863 -20.352 -4.373 1442 H ARG 65 H ARG 65 -32.952 -19.142 0.970 1443 HA ARG 65 HA ARG 65 -33.253 -18.753 3.145 1444 1HB ARG 65 1HB ARG 65 -33.424 -21.766 3.539 1445 2HB ARG 65 2HB ARG 65 -33.948 -20.511 4.663 1446 1HG ARG 65 1HG ARG 65 -35.622 -19.716 3.022 1447 2HG ARG 65 2HG ARG 65 -35.064 -20.921 1.853 1448 1HD ARG 65 1HD ARG 65 -35.645 -22.726 3.586 1449 2HD ARG 65 2HD ARG 65 -36.383 -21.444 4.542 1450 HE ARG 65 HE ARG 65 -38.188 -21.416 3.140 1451 1HH1 ARG 65 2HH2 ARG 65 -35.540 -23.077 1.487 1452 2HH1 ARG 65 1HH2 ARG 65 -36.525 -23.630 0.158 1453 1HH2 ARG 65 2HH1 ARG 65 -39.480 -22.111 1.402 1454 2HH2 ARG 65 1HH1 ARG 65 -38.803 -23.055 0.104 1455 H ARG 66 H ARG 66 -31.197 -21.693 3.167 1456 HA ARG 66 HA ARG 66 -29.614 -21.008 5.397 1457 1HB ARG 66 1HB ARG 66 -29.050 -22.760 2.957 1458 2HB ARG 66 2HB ARG 66 -27.929 -22.572 4.302 1459 1HG ARG 66 1HG ARG 66 -29.076 -24.554 4.754 1460 2HG ARG 66 2HG ARG 66 -29.692 -23.362 5.894 1461 1HD ARG 66 1HD ARG 66 -31.516 -24.759 5.044 1462 2HD ARG 66 2HD ARG 66 -31.753 -23.119 4.537 1463 HE ARG 66 HE ARG 66 -31.403 -23.701 2.303 1464 1HH1 ARG 66 2HH1 ARG 66 -30.555 -26.417 4.415 1465 2HH1 ARG 66 1HH1 ARG 66 -30.495 -27.592 3.133 1466 1HH2 ARG 66 1HH2 ARG 66 -31.118 -25.233 0.560 1467 2HH2 ARG 66 2HH2 ARG 66 -30.904 -26.916 0.947 1468 H SER 67 H SER 67 -29.279 -20.196 1.953 1469 HA SER 67 HA SER 67 -26.949 -18.994 1.565 1470 1HB SER 67 1HB SER 67 -29.502 -17.538 0.867 1471 2HB SER 67 2HB SER 67 -28.072 -17.868 -0.134 1472 HG SER 67 HG SER 67 -29.631 -19.349 -0.772 1473 H ALA 68 H ALA 68 -29.618 -17.631 3.546 1474 HA ALA 68 HA ALA 68 -28.574 -14.991 3.779 1475 1HB ALA 68 1HB ALA 68 -30.451 -16.519 5.630 1476 2HB ALA 68 2HB ALA 68 -30.223 -14.759 5.575 1477 3HB ALA 68 3HB ALA 68 -30.935 -15.602 4.185 1478 H HIS 69 H HIS 69 -27.923 -17.974 5.700 1479 HA HIS 69 HA HIS 69 -26.810 -16.355 7.885 1480 1HB HIS 69 1HB HIS 69 -26.350 -18.431 9.020 1481 2HB HIS 69 2HB HIS 69 -28.039 -18.192 8.587 1482 HD1 HIS 69 HD1 HIS 69 -25.156 -20.017 6.738 1483 HD2 HIS 69 HD2 HIS 69 -29.047 -20.534 8.223 1484 HE1 HIS 69 HE1 HIS 69 -25.822 -22.441 6.217 1485 H ALA 70 H ALA 70 -25.397 -15.245 6.463 1486 HA ALA 70 HA ALA 70 -23.279 -14.582 6.116 1487 1HB ALA 70 1HB ALA 70 -21.357 -15.725 6.969 1488 2HB ALA 70 2HB ALA 70 -22.653 -15.809 8.176 1489 3HB ALA 70 3HB ALA 70 -22.249 -17.233 7.190 1490 H ARG 71 H ARG 71 -24.018 -17.850 4.942 1491 HA ARG 71 HA ARG 71 -21.991 -18.314 3.205 1492 1HB ARG 71 1HB ARG 71 -24.875 -18.894 2.460 1493 2HB ARG 71 2HB ARG 71 -23.428 -19.769 1.958 1494 1HG ARG 71 1HG ARG 71 -24.764 -19.724 4.682 1495 2HG ARG 71 2HG ARG 71 -24.541 -21.086 3.596 1496 1HD ARG 71 1HD ARG 71 -22.057 -20.897 3.903 1497 2HD ARG 71 2HD ARG 71 -22.305 -19.658 5.128 1498 HE ARG 71 HE ARG 71 -22.949 -22.545 5.261 1499 1HH1 ARG 71 2HH1 ARG 71 -23.189 -19.447 7.031 1500 2HH1 ARG 71 1HH1 ARG 71 -22.877 -20.195 8.571 1501 1HH2 ARG 71 2HH2 ARG 71 -22.777 -23.490 7.300 1502 2HH2 ARG 71 1HH2 ARG 71 -22.814 -22.516 8.742 1503 H LYS 72 H LYS 72 -24.981 -16.526 2.174 1504 HA LYS 72 HA LYS 72 -23.936 -15.894 -0.406 1505 1HB LYS 72 1HB LYS 72 -26.366 -15.775 0.288 1506 2HB LYS 72 2HB LYS 72 -25.978 -14.288 1.169 1507 1HG LYS 72 1HG LYS 72 -24.969 -13.471 -1.114 1508 2HG LYS 72 2HG LYS 72 -25.837 -14.845 -1.820 1509 1HD LYS 72 1HD LYS 72 -27.960 -13.908 -0.771 1510 2HD LYS 72 2HD LYS 72 -27.015 -12.495 -0.265 1511 1HE LYS 72 1HE LYS 72 -27.508 -13.451 -3.129 1512 2HE LYS 72 2HE LYS 72 -28.181 -12.001 -2.363 1513 1HZ LYS 72 1HZ LYS 72 -25.335 -12.482 -2.939 1514 2HZ LYS 72 2HZ LYS 72 -26.339 -11.478 -3.765 1515 3HZ LYS 72 3HZ LYS 72 -25.944 -11.135 -2.205 1516 H GLU 73 H GLU 73 -23.962 -14.117 2.695 1517 HA GLU 73 HA GLU 73 -22.865 -11.689 1.803 1518 1HB GLU 73 1HB GLU 73 -22.265 -12.894 4.526 1519 2HB GLU 73 2HB GLU 73 -22.407 -11.197 4.077 1520 1HG GLU 73 1HG GLU 73 -24.668 -13.240 4.337 1521 2HG GLU 73 2HG GLU 73 -24.378 -11.806 5.311 1522 H THR 74 H THR 74 -21.294 -14.734 2.592 1523 HA THR 74 HA THR 74 -18.602 -13.724 2.624 1524 HB THR 74 HB THR 74 -19.628 -16.567 2.261 1525 HG1 THR 74 HG1 THR 74 -20.389 -15.502 4.149 1526 1HG2 THR 74 1HG2 THR 74 -17.205 -16.468 1.798 1527 2HG2 THR 74 2HG2 THR 74 -16.952 -15.509 3.277 1528 3HG2 THR 74 3HG2 THR 74 -17.497 -17.193 3.382 1529 H GLU 75 H GLU 75 -20.738 -14.276 -0.066 1530 HA GLU 75 HA GLU 75 -19.297 -15.642 -1.942 1531 1HB GLU 75 1HB GLU 75 -21.146 -13.260 -2.163 1532 2HB GLU 75 2HB GLU 75 -20.435 -13.974 -3.613 1533 1HG GLU 75 1HG GLU 75 -21.359 -16.116 -3.197 1534 2HG GLU 75 2HG GLU 75 -21.905 -15.676 -1.580 1535 H PHE 76 H PHE 76 -19.008 -12.120 -1.436 1536 HA PHE 76 HA PHE 76 -17.082 -11.718 -3.471 1537 1HB PHE 76 1HB PHE 76 -17.012 -9.922 -1.084 1538 2HB PHE 76 2HB PHE 76 -17.043 -9.521 -2.796 1539 HD1 PHE 76 HD1 PHE 76 -18.936 -9.521 0.198 1540 HD2 PHE 76 HD2 PHE 76 -19.374 -10.347 -4.022 1541 HE1 PHE 76 HE1 PHE 76 -21.373 -9.818 0.489 1542 HE2 PHE 76 HE2 PHE 76 -21.792 -10.728 -3.684 1543 HZ PHE 76 HZ PHE 76 -22.770 -10.525 -1.400 1544 H LEU 77 H LEU 77 -16.757 -12.760 -0.121 1545 HA LEU 77 HA LEU 77 -13.865 -12.310 0.019 1546 1HB LEU 77 1HB LEU 77 -15.668 -13.866 1.901 1547 2HB LEU 77 2HB LEU 77 -14.027 -13.304 2.212 1548 HG LEU 77 HG LEU 77 -16.486 -11.531 1.810 1549 1HD1 LEU 77 1HD1 LEU 77 -16.460 -12.767 3.946 1550 2HD1 LEU 77 2HD1 LEU 77 -14.830 -12.145 4.291 1551 3HD1 LEU 77 3HD1 LEU 77 -16.211 -11.030 4.195 1552 1HD2 LEU 77 1HD2 LEU 77 -14.496 -10.339 0.998 1553 2HD2 LEU 77 2HD2 LEU 77 -14.971 -9.688 2.568 1554 3HD2 LEU 77 3HD2 LEU 77 -13.590 -10.798 2.460 1555 H ARG 78 H ARG 78 -16.099 -14.957 -0.783 1556 HA ARG 78 HA ARG 78 -14.481 -17.190 -0.494 1557 1HB ARG 78 1HB ARG 78 -16.269 -16.615 -2.887 1558 2HB ARG 78 2HB ARG 78 -15.586 -18.185 -2.464 1559 1HG ARG 78 1HG ARG 78 -16.825 -18.179 -0.311 1560 2HG ARG 78 2HG ARG 78 -17.527 -16.614 -0.752 1561 1HD ARG 78 1HD ARG 78 -18.362 -17.731 -2.899 1562 2HD ARG 78 2HD ARG 78 -17.941 -19.283 -2.137 1563 HE ARG 78 HE ARG 78 -19.528 -17.814 -0.307 1564 1HH1 ARG 78 2HH2 ARG 78 -19.866 -19.322 -3.479 1565 2HH1 ARG 78 1HH2 ARG 78 -21.604 -19.425 -3.410 1566 1HH2 ARG 78 1HH1 ARG 78 -21.794 -17.839 -0.228 1567 2HH2 ARG 78 2HH1 ARG 78 -22.723 -18.601 -1.499 1568 H LEU 79 H LEU 79 -14.414 -14.860 -3.208 1569 HA LEU 79 HA LEU 79 -12.506 -16.218 -4.813 1570 1HB LEU 79 1HB LEU 79 -13.387 -13.331 -4.523 1571 2HB LEU 79 2HB LEU 79 -12.060 -13.744 -5.591 1572 HG LEU 79 HG LEU 79 -14.277 -13.536 -6.699 1573 1HD1 LEU 79 1HD1 LEU 79 -12.411 -14.706 -7.772 1574 2HD1 LEU 79 2HD1 LEU 79 -12.915 -16.240 -7.030 1575 3HD1 LEU 79 3HD1 LEU 79 -13.965 -15.427 -8.204 1576 1HD2 LEU 79 1HD2 LEU 79 -14.919 -16.222 -5.401 1577 2HD2 LEU 79 2HD2 LEU 79 -15.699 -14.668 -5.011 1578 3HD2 LEU 79 3HD2 LEU 79 -15.870 -15.383 -6.624 1579 H LYS 80 H LYS 80 -11.956 -13.541 -2.480 1580 HA LYS 80 HA LYS 80 -9.134 -13.534 -2.588 1581 1HB LYS 80 1HB LYS 80 -10.642 -11.831 -1.516 1582 2HB LYS 80 2HB LYS 80 -10.849 -12.945 -0.152 1583 1HG LYS 80 1HG LYS 80 -8.368 -12.890 0.231 1584 2HG LYS 80 2HG LYS 80 -8.196 -11.863 -1.201 1585 1HD LYS 80 1HD LYS 80 -8.050 -10.449 0.702 1586 2HD LYS 80 2HD LYS 80 -9.581 -10.110 -0.122 1587 1HE LYS 80 1HE LYS 80 -10.804 -11.460 1.568 1588 2HE LYS 80 2HE LYS 80 -9.269 -11.889 2.349 1589 1HZ LYS 80 1HZ LYS 80 -8.949 -9.564 2.824 1590 2HZ LYS 80 2HZ LYS 80 -10.377 -9.182 2.098 1591 3HZ LYS 80 3HZ LYS 80 -10.368 -10.105 3.462 1592 H ARG 81 H ARG 81 -11.348 -15.298 -0.423 1593 HA ARG 81 HA ARG 81 -9.485 -16.704 1.118 1594 1HB ARG 81 1HB ARG 81 -11.881 -16.483 1.622 1595 2HB ARG 81 2HB ARG 81 -12.277 -17.516 0.249 1596 1HG ARG 81 1HG ARG 81 -12.459 -18.702 2.343 1597 2HG ARG 81 2HG ARG 81 -11.234 -19.453 1.326 1598 1HD ARG 81 1HD ARG 81 -10.464 -17.405 3.446 1599 2HD ARG 81 2HD ARG 81 -10.794 -19.097 3.874 1600 HE ARG 81 HE ARG 81 -8.980 -19.082 1.694 1601 1HH1 ARG 81 1HH1 ARG 81 -9.027 -18.101 5.083 1602 2HH1 ARG 81 2HH1 ARG 81 -7.404 -18.645 5.418 1603 1HH2 ARG 81 1HH2 ARG 81 -6.933 -19.933 2.148 1604 2HH2 ARG 81 2HH2 ARG 81 -6.155 -19.665 3.683 1605 H THR 82 H THR 82 -10.846 -17.503 -2.111 1606 HA THR 82 HA THR 82 -9.682 -20.107 -2.275 1607 HB THR 82 HB THR 82 -10.349 -18.198 -4.556 1608 HG1 THR 82 HG1 THR 82 -12.106 -18.721 -3.152 1609 1HG2 THR 82 1HG2 THR 82 -10.580 -20.280 -5.864 1610 2HG2 THR 82 2HG2 THR 82 -8.913 -20.065 -5.306 1611 3HG2 THR 82 3HG2 THR 82 -9.985 -21.223 -4.484 1612 H ARG 83 H ARG 83 -8.401 -16.842 -3.335 1613 HA ARG 83 HA ARG 83 -5.927 -17.990 -4.278 1614 1HB ARG 83 1HB ARG 83 -6.758 -15.187 -3.429 1615 2HB ARG 83 2HB ARG 83 -5.097 -15.613 -3.782 1616 1HG ARG 83 1HG ARG 83 -5.731 -14.802 -5.812 1617 2HG ARG 83 2HG ARG 83 -5.894 -16.539 -6.047 1618 1HD ARG 83 1HD ARG 83 -7.747 -15.404 -7.047 1619 2HD ARG 83 2HD ARG 83 -8.382 -16.283 -5.646 1620 HE ARG 83 HE ARG 83 -7.864 -13.882 -4.536 1621 1HH1 ARG 83 2HH1 ARG 83 -9.571 -14.609 -7.599 1622 2HH1 ARG 83 1HH1 ARG 83 -10.598 -13.192 -7.429 1623 1HH2 ARG 83 2HH2 ARG 83 -9.314 -12.096 -4.397 1624 2HH2 ARG 83 1HH2 ARG 83 -10.482 -11.871 -5.694 1625 H LEU 84 H LEU 84 -6.963 -16.745 -1.065 1626 HA LEU 84 HA LEU 84 -4.375 -17.086 0.148 1627 1HB LEU 84 1HB LEU 84 -7.172 -17.123 1.327 1628 2HB LEU 84 2HB LEU 84 -5.701 -17.164 2.303 1629 HG LEU 84 HG LEU 84 -6.330 -14.906 0.359 1630 1HD1 LEU 84 1HD1 LEU 84 -6.805 -15.085 3.363 1631 2HD1 LEU 84 2HD1 LEU 84 -6.983 -13.621 2.374 1632 3HD1 LEU 84 3HD1 LEU 84 -8.057 -15.004 2.107 1633 1HD2 LEU 84 1HD2 LEU 84 -4.643 -13.682 1.727 1634 2HD2 LEU 84 2HD2 LEU 84 -4.323 -15.163 2.648 1635 3HD2 LEU 84 3HD2 LEU 84 -3.928 -15.078 0.920 1636 H GLY 85 H GLY 85 -7.074 -19.344 -0.400 1637 1HA GLY 85 1HA GLY 85 -6.017 -21.578 1.048 1638 2HA GLY 85 2HA GLY 85 -7.158 -21.624 -0.310 1639 H LEU 86 H LEU 86 -5.719 -20.513 -2.366 1640 HA LEU 86 HA LEU 86 -4.023 -22.613 -3.205 1641 1HB LEU 86 1HB LEU 86 -5.285 -21.015 -4.672 1642 2HB LEU 86 2HB LEU 86 -4.105 -19.753 -4.300 1643 HG LEU 86 HG LEU 86 -2.372 -20.843 -5.475 1644 1HD1 LEU 86 1HD1 LEU 86 -4.167 -23.308 -5.653 1645 2HD1 LEU 86 2HD1 LEU 86 -2.683 -23.073 -6.599 1646 3HD1 LEU 86 3HD1 LEU 86 -2.585 -23.194 -4.844 1647 1HD2 LEU 86 1HD2 LEU 86 -4.253 -19.753 -6.790 1648 2HD2 LEU 86 2HD2 LEU 86 -3.332 -20.968 -7.710 1649 3HD2 LEU 86 3HD2 LEU 86 -4.933 -21.362 -7.058 1650 H GLU 87 H GLU 87 -3.354 -19.527 -1.638 1651 HA GLU 87 HA GLU 87 -1.555 -18.573 -0.761 1652 1HB GLU 87 1HB GLU 87 -0.170 -19.877 0.755 1653 2HB GLU 87 2HB GLU 87 -1.883 -20.222 0.953 1654 1HG GLU 87 1HG GLU 87 -1.660 -22.365 -0.185 1655 2HG GLU 87 2HG GLU 87 0.029 -22.017 -0.602 1656 1H LYS 62 H1 LYS 62 21.213 6.758 16.555 1657 2H LYS 62 H2 LYS 62 21.222 5.348 17.422 1658 3H LYS 62 H3 LYS 62 21.682 6.771 18.126 1659 HA LYS 62 HA LYS 62 19.004 6.042 17.210 1660 1HB LYS 62 1HB LYS 62 19.972 6.817 19.997 1661 2HB LYS 62 2HB LYS 62 18.353 6.264 19.547 1662 1HG LYS 62 1HG LYS 62 19.312 4.063 18.860 1663 2HG LYS 62 2HG LYS 62 20.905 4.603 19.439 1664 1HD LYS 62 1HD LYS 62 19.967 4.961 21.709 1665 2HD LYS 62 2HD LYS 62 18.379 4.408 21.141 1666 1HE LYS 62 1HE LYS 62 19.358 2.193 20.562 1667 2HE LYS 62 2HE LYS 62 20.945 2.745 21.133 1668 1HZ LYS 62 1HZ LYS 62 19.799 1.479 22.782 1669 2HZ LYS 62 2HZ LYS 62 19.998 3.029 23.304 1670 3HZ LYS 62 3HZ LYS 62 18.522 2.520 22.775 1671 H ARG 63 H ARG 63 17.542 7.919 18.610 1672 HA ARG 63 HA ARG 63 18.034 10.427 17.214 1673 1HB ARG 63 1HB ARG 63 16.237 9.736 19.576 1674 2HB ARG 63 2HB ARG 63 16.255 11.283 18.711 1675 1HG ARG 63 1HG ARG 63 15.658 10.115 16.596 1676 2HG ARG 63 2HG ARG 63 15.573 8.573 17.473 1677 1HD ARG 63 1HD ARG 63 13.798 9.501 18.934 1678 2HD ARG 63 2HD ARG 63 13.876 11.040 18.041 1679 HE ARG 63 HE ARG 63 13.453 8.936 16.186 1680 1HH1 ARG 63 2HH2 ARG 63 11.762 10.601 18.795 1681 2HH1 ARG 63 1HH2 ARG 63 10.171 10.331 18.139 1682 1HH2 ARG 63 2HH1 ARG 63 11.382 8.565 15.306 1683 2HH2 ARG 63 1HH1 ARG 63 9.953 9.146 16.116 1684 H LEU 64 H LEU 64 18.972 12.284 18.077 1685 HA LEU 64 HA LEU 64 20.251 13.630 19.322 1686 1HB LEU 64 1HB LEU 64 19.851 11.849 21.746 1687 2HB LEU 64 2HB LEU 64 20.367 13.526 21.699 1688 HG LEU 64 HG LEU 64 17.600 12.486 20.927 1689 1HD1 LEU 64 1HD1 LEU 64 18.087 12.414 23.346 1690 2HD1 LEU 64 2HD1 LEU 64 18.549 14.130 23.308 1691 3HD1 LEU 64 3HD1 LEU 64 16.875 13.649 22.960 1692 1HD2 LEU 64 1HD2 LEU 64 18.693 15.336 21.025 1693 2HD2 LEU 64 2HD2 LEU 64 18.119 14.476 19.578 1694 3HD2 LEU 64 3HD2 LEU 64 16.979 14.904 20.858 1695 H ARG 65 H ARG 65 21.005 10.318 20.432 1696 HA ARG 65 HA ARG 65 23.830 10.510 20.545 1697 1HB ARG 65 1HB ARG 65 21.869 8.264 19.987 1698 2HB ARG 65 2HB ARG 65 23.597 7.993 19.789 1699 1HG ARG 65 1HG ARG 65 22.815 7.268 21.990 1700 2HG ARG 65 2HG ARG 65 24.100 8.474 22.056 1701 1HD ARG 65 1HD ARG 65 22.400 8.803 23.776 1702 2HD ARG 65 2HD ARG 65 22.529 10.214 22.715 1703 HE ARG 65 HE ARG 65 20.515 8.890 21.509 1704 1HH1 ARG 65 2HH2 ARG 65 20.937 9.612 24.960 1705 2HH1 ARG 65 1HH2 ARG 65 19.240 9.904 25.217 1706 1HH2 ARG 65 2HH1 ARG 65 18.454 9.495 21.783 1707 2HH2 ARG 65 1HH1 ARG 65 17.741 9.724 23.375 1708 H ARG 66 H ARG 66 21.677 9.714 17.782 1709 HA ARG 66 HA ARG 66 21.949 9.711 15.585 1710 1HB ARG 66 1HB ARG 66 23.879 11.973 16.220 1711 2HB ARG 66 2HB ARG 66 23.289 11.599 14.603 1712 1HG ARG 66 1HG ARG 66 21.462 12.332 16.938 1713 2HG ARG 66 2HG ARG 66 22.170 13.492 15.821 1714 1HD ARG 66 1HD ARG 66 19.987 13.126 15.043 1715 2HD ARG 66 2HD ARG 66 21.057 12.270 13.916 1716 HE ARG 66 HE ARG 66 20.167 10.486 15.995 1717 1HH1 ARG 66 1HH2 ARG 66 18.903 12.181 13.160 1718 2HH1 ARG 66 2HH2 ARG 66 17.746 10.940 12.768 1719 1HH2 ARG 66 2HH1 ARG 66 18.764 8.871 15.471 1720 2HH2 ARG 66 1HH1 ARG 66 17.653 8.984 14.124 1721 H SER 67 H SER 67 25.314 10.441 16.280 1722 HA SER 67 HA SER 67 27.255 9.569 15.513 1723 1HB SER 67 1HB SER 67 25.833 7.063 16.504 1724 2HB SER 67 2HB SER 67 27.585 7.274 16.329 1725 HG SER 67 HG SER 67 25.983 9.063 17.869 1726 H ALA 68 H ALA 68 25.172 6.849 14.479 1727 HA ALA 68 HA ALA 68 26.557 6.559 11.913 1728 1HB ALA 68 1HB ALA 68 25.577 4.606 13.067 1729 2HB ALA 68 2HB ALA 68 23.963 5.349 12.973 1730 3HB ALA 68 3HB ALA 68 24.813 4.872 11.487 1731 H HIS 69 H HIS 69 23.665 8.117 13.236 1732 HA HIS 69 HA HIS 69 22.552 8.855 10.646 1733 1HB HIS 69 1HB HIS 69 21.918 9.983 13.382 1734 2HB HIS 69 2HB HIS 69 20.949 10.134 11.921 1735 HD1 HIS 69 HD1 HIS 69 22.000 7.483 14.516 1736 HD2 HIS 69 HD2 HIS 69 19.239 8.173 11.411 1737 HE1 HIS 69 HE1 HIS 69 20.263 5.601 14.637 1738 H ALA 70 H ALA 70 24.812 9.618 10.030 1739 HA ALA 70 HA ALA 70 25.875 12.066 11.099 1740 1HB ALA 70 1HB ALA 70 27.503 11.850 9.305 1741 2HB ALA 70 2HB ALA 70 27.232 10.287 10.095 1742 3HB ALA 70 3HB ALA 70 26.497 10.619 8.510 1743 H ARG 71 H ARG 71 23.154 12.506 10.365 1744 HA ARG 71 HA ARG 71 21.755 13.931 9.431 1745 1HB ARG 71 1HB ARG 71 24.327 15.473 9.021 1746 2HB ARG 71 2HB ARG 71 22.791 16.068 8.399 1747 1HG ARG 71 1HG ARG 71 23.223 17.027 10.583 1748 2HG ARG 71 2HG ARG 71 21.763 16.039 10.590 1749 1HD ARG 71 1HD ARG 71 23.048 15.723 12.642 1750 2HD ARG 71 2HD ARG 71 22.966 14.218 11.740 1751 HE ARG 71 HE ARG 71 25.316 15.923 11.224 1752 1HH1 ARG 71 2HH1 ARG 71 24.176 13.001 12.905 1753 2HH1 ARG 71 1HH1 ARG 71 25.639 12.831 13.831 1754 1HH2 ARG 71 2HH2 ARG 71 27.302 15.494 12.211 1755 2HH2 ARG 71 1HH2 ARG 71 27.492 14.135 13.284 1756 H LYS 72 H LYS 72 24.409 13.668 7.035 1757 HA LYS 72 HA LYS 72 23.099 14.374 4.770 1758 1HB LYS 72 1HB LYS 72 25.513 13.808 4.948 1759 2HB LYS 72 2HB LYS 72 25.106 12.109 5.114 1760 1HG LYS 72 1HG LYS 72 25.903 12.634 2.861 1761 2HG LYS 72 2HG LYS 72 24.277 11.975 2.861 1762 1HD LYS 72 1HD LYS 72 24.447 13.702 1.229 1763 2HD LYS 72 2HD LYS 72 23.326 14.251 2.461 1764 1HE LYS 72 1HE LYS 72 26.289 15.041 2.444 1765 2HE LYS 72 2HE LYS 72 25.073 15.913 1.501 1766 1HZ LYS 72 1HZ LYS 72 25.008 15.608 4.412 1767 2HZ LYS 72 2HZ LYS 72 25.435 16.958 3.577 1768 3HZ LYS 72 3HZ LYS 72 23.892 16.393 3.491 1769 H GLU 73 H GLU 73 22.995 11.095 6.189 1770 HA GLU 73 HA GLU 73 21.674 9.748 4.167 1771 1HB GLU 73 1HB GLU 73 20.987 8.138 5.798 1772 2HB GLU 73 2HB GLU 73 22.644 8.643 6.131 1773 1HG GLU 73 1HG GLU 73 20.121 9.535 7.628 1774 2HG GLU 73 2HG GLU 73 21.282 8.327 8.170 1775 H THR 74 H THR 74 20.198 12.185 6.301 1776 HA THR 74 HA THR 74 17.511 11.275 6.009 1777 HB THR 74 HB THR 74 16.920 13.560 6.623 1778 HG1 THR 74 HG1 THR 74 19.690 14.129 6.612 1779 1HG2 THR 74 1HG2 THR 74 17.514 11.977 8.408 1780 2HG2 THR 74 2HG2 THR 74 19.217 12.460 8.307 1781 3HG2 THR 74 3HG2 THR 74 17.995 13.631 8.830 1782 H GLU 75 H GLU 75 19.682 12.761 3.712 1783 HA GLU 75 HA GLU 75 18.182 14.478 2.278 1784 1HB GLU 75 1HB GLU 75 19.651 13.979 0.375 1785 2HB GLU 75 2HB GLU 75 20.535 14.028 1.900 1786 1HG GLU 75 1HG GLU 75 20.310 11.425 1.921 1787 2HG GLU 75 2HG GLU 75 19.813 11.593 0.229 1788 H PHE 76 H PHE 76 18.166 10.944 1.688 1789 HA PHE 76 HA PHE 76 16.464 10.971 -0.542 1790 1HB PHE 76 1HB PHE 76 16.379 8.722 1.464 1791 2HB PHE 76 2HB PHE 76 16.280 8.647 -0.287 1792 HD1 PHE 76 HD1 PHE 76 18.475 9.282 -1.623 1793 HD2 PHE 76 HD2 PHE 76 18.413 8.359 2.590 1794 HE1 PHE 76 HE1 PHE 76 20.931 9.035 -1.640 1795 HE2 PHE 76 HE2 PHE 76 20.877 8.124 2.556 1796 HZ PHE 76 HZ PHE 76 22.125 8.351 0.450 1797 H LEU 77 H LEU 77 15.695 11.253 2.884 1798 HA LEU 77 HA LEU 77 12.819 10.615 2.448 1799 1HB LEU 77 1HB LEU 77 14.375 11.093 5.013 1800 2HB LEU 77 2HB LEU 77 12.714 10.508 4.872 1801 HG LEU 77 HG LEU 77 15.229 9.034 3.946 1802 1HD1 LEU 77 1HD1 LEU 77 14.953 9.147 6.394 1803 2HD1 LEU 77 2HD1 LEU 77 13.306 8.493 6.245 1804 3HD1 LEU 77 3HD1 LEU 77 14.706 7.499 5.787 1805 1HD2 LEU 77 1HD2 LEU 77 13.370 8.411 2.470 1806 2HD2 LEU 77 2HD2 LEU 77 13.667 7.100 3.614 1807 3HD2 LEU 77 3HD2 LEU 77 12.292 8.193 3.868 1808 H ARG 78 H ARG 78 14.987 13.226 3.436 1809 HA ARG 78 HA ARG 78 13.406 14.928 4.791 1810 1HB ARG 78 1HB ARG 78 15.811 15.158 4.296 1811 2HB ARG 78 2HB ARG 78 15.444 15.762 2.681 1812 1HG ARG 78 1HG ARG 78 14.146 17.209 5.000 1813 2HG ARG 78 2HG ARG 78 15.902 17.270 4.909 1814 1HD ARG 78 1HD ARG 78 15.215 19.188 3.785 1815 2HD ARG 78 2HD ARG 78 15.720 18.054 2.516 1816 HE ARG 78 HE ARG 78 12.883 17.870 3.038 1817 1HH1 ARG 78 1HH1 ARG 78 15.282 19.997 1.554 1818 2HH1 ARG 78 2HH1 ARG 78 14.193 20.635 0.354 1819 1HH2 ARG 78 2HH2 ARG 78 11.443 18.694 1.467 1820 2HH2 ARG 78 1HH2 ARG 78 11.961 19.866 0.298 1821 H LEU 79 H LEU 79 13.425 14.656 1.254 1822 HA LEU 79 HA LEU 79 11.912 16.801 0.454 1823 1HB LEU 79 1HB LEU 79 11.257 15.522 -1.472 1824 2HB LEU 79 2HB LEU 79 12.935 15.227 -1.032 1825 HG LEU 79 HG LEU 79 11.754 13.154 0.322 1826 1HD1 LEU 79 1HD1 LEU 79 10.086 13.521 -2.213 1827 2HD1 LEU 79 2HD1 LEU 79 10.048 12.129 -1.118 1828 3HD1 LEU 79 3HD1 LEU 79 9.456 13.701 -0.567 1829 1HD2 LEU 79 1HD2 LEU 79 12.451 11.751 -1.494 1830 2HD2 LEU 79 2HD2 LEU 79 12.524 13.130 -2.618 1831 3HD2 LEU 79 3HD2 LEU 79 13.652 13.024 -1.242 1832 H LYS 80 H LYS 80 10.712 13.973 2.228 1833 HA LYS 80 HA LYS 80 7.995 14.155 1.730 1834 1HB LYS 80 1HB LYS 80 7.657 12.893 3.719 1835 2HB LYS 80 2HB LYS 80 9.137 12.356 2.934 1836 1HG LYS 80 1HG LYS 80 9.933 12.432 5.047 1837 2HG LYS 80 2HG LYS 80 10.266 14.111 4.630 1838 1HD LYS 80 1HD LYS 80 8.028 14.727 5.735 1839 2HD LYS 80 2HD LYS 80 7.818 13.018 6.120 1840 1HE LYS 80 1HE LYS 80 8.667 14.178 8.070 1841 2HE LYS 80 2HE LYS 80 9.910 13.066 7.477 1842 1HZ LYS 80 1HZ LYS 80 10.799 15.207 8.039 1843 2HZ LYS 80 2HZ LYS 80 10.974 14.941 6.423 1844 3HZ LYS 80 3HZ LYS 80 9.798 15.960 6.968 1845 H ARG 81 H ARG 81 9.952 16.361 3.784 1846 HA ARG 81 HA ARG 81 7.685 17.430 5.171 1847 1HB ARG 81 1HB ARG 81 8.995 19.309 5.757 1848 2HB ARG 81 2HB ARG 81 9.931 17.840 5.961 1849 1HG ARG 81 1HG ARG 81 11.564 18.585 4.642 1850 2HG ARG 81 2HG ARG 81 10.455 18.894 3.308 1851 1HD ARG 81 1HD ARG 81 11.054 20.752 5.654 1852 2HD ARG 81 2HD ARG 81 11.664 20.959 4.019 1853 HE ARG 81 HE ARG 81 9.056 21.678 5.067 1854 1HH1 ARG 81 2HH2 ARG 81 10.751 20.775 2.131 1855 2HH1 ARG 81 1HH2 ARG 81 9.518 21.330 1.039 1856 1HH2 ARG 81 2HH1 ARG 81 7.472 22.556 3.695 1857 2HH2 ARG 81 1HH1 ARG 81 7.681 22.540 1.965 1858 H THR 82 H THR 82 8.837 17.924 1.873 1859 HA THR 82 HA THR 82 7.219 20.220 1.278 1860 HB THR 82 HB THR 82 7.879 18.080 -0.748 1861 HG1 THR 82 HG1 THR 82 9.767 18.159 0.126 1862 1HG2 THR 82 1HG2 THR 82 7.995 21.128 -0.831 1863 2HG2 THR 82 2HG2 THR 82 8.293 20.024 -2.189 1864 3HG2 THR 82 3HG2 THR 82 6.674 20.124 -1.471 1865 H ARG 83 H ARG 83 6.687 16.663 1.257 1866 HA ARG 83 HA ARG 83 4.149 16.791 -0.103 1867 1HB ARG 83 1HB ARG 83 5.254 14.639 1.740 1868 2HB ARG 83 2HB ARG 83 3.997 14.457 0.533 1869 1HG ARG 83 1HG ARG 83 6.905 15.166 -0.167 1870 2HG ARG 83 2HG ARG 83 6.276 13.532 -0.056 1871 1HD ARG 83 1HD ARG 83 6.201 14.059 -2.358 1872 2HD ARG 83 2HD ARG 83 4.549 14.101 -1.773 1873 HE ARG 83 HE ARG 83 4.424 16.368 -2.210 1874 1HH1 ARG 83 1HH2 ARG 83 7.820 15.417 -2.347 1875 2HH1 ARG 83 2HH2 ARG 83 8.313 16.808 -3.275 1876 1HH2 ARG 83 1HH1 ARG 83 5.029 18.120 -3.501 1877 2HH2 ARG 83 2HH1 ARG 83 6.703 18.427 -3.855 1878 H LEU 84 H LEU 84 5.231 16.762 3.307 1879 HA LEU 84 HA LEU 84 2.564 16.882 4.422 1880 1HB LEU 84 1HB LEU 84 5.185 17.937 5.538 1881 2HB LEU 84 2HB LEU 84 3.681 17.746 6.440 1882 HG LEU 84 HG LEU 84 5.283 15.468 5.180 1883 1HD1 LEU 84 1HD1 LEU 84 4.914 16.290 8.089 1884 2HD1 LEU 84 2HD1 LEU 84 5.822 14.881 7.501 1885 3HD1 LEU 84 3HD1 LEU 84 6.391 16.517 7.128 1886 1HD2 LEU 84 1HD2 LEU 84 2.762 15.435 6.898 1887 2HD2 LEU 84 2HD2 LEU 84 2.924 14.839 5.228 1888 3HD2 LEU 84 3HD2 LEU 84 3.764 14.012 6.540 1889 H GLY 85 H GLY 85 4.885 19.382 3.325 1890 1HA GLY 85 1HA GLY 85 3.439 21.701 3.941 1891 2HA GLY 85 2HA GLY 85 4.504 21.494 2.538 1892 H LEU 86 H LEU 86 3.207 19.611 1.037 1893 HA LEU 86 HA LEU 86 1.040 20.987 -0.236 1894 1HB LEU 86 1HB LEU 86 2.282 18.253 -0.423 1895 2HB LEU 86 2HB LEU 86 0.685 18.474 -1.114 1896 HG LEU 86 HG LEU 86 2.706 18.738 -2.646 1897 1HD1 LEU 86 1HD1 LEU 86 1.594 20.463 -3.986 1898 2HD1 LEU 86 2HD1 LEU 86 0.422 19.346 -3.282 1899 3HD1 LEU 86 3HD1 LEU 86 0.636 20.966 -2.580 1900 1HD2 LEU 86 1HD2 LEU 86 3.725 20.923 -2.872 1901 2HD2 LEU 86 2HD2 LEU 86 2.916 21.509 -1.412 1902 3HD2 LEU 86 3HD2 LEU 86 4.122 20.208 -1.311 1903 H GLU 87 H GLU 87 0.882 17.951 1.768 1904 HA GLU 87 HA GLU 87 -1.490 19.062 3.100 1905 1HB GLU 87 1HB GLU 87 -1.676 16.376 1.677 1906 2HB GLU 87 2HB GLU 87 -2.876 17.077 2.764 1907 1HG GLU 87 1HG GLU 87 -3.159 18.981 1.155 1908 2HG GLU 87 2HG GLU 87 -2.053 18.155 0.038 Start of MODEL 6 1 1H SER 1 1H SER 1 10.064 2.620 -14.272 2 2H SER 1 2H SER 1 11.033 3.476 -13.259 3 3H SER 1 3H SER 1 10.228 2.154 -12.690 4 HA SER 1 HA SER 1 9.219 4.168 -11.936 5 1HB SER 1 1HB SER 1 8.775 4.771 -14.851 6 2HB SER 1 2HB SER 1 8.359 5.814 -13.465 7 HG SER 1 HG SER 1 10.663 5.893 -12.998 8 H GLU 2 H GLU 2 8.560 1.356 -13.347 9 HA GLU 2 HA GLU 2 5.829 1.344 -14.027 10 1HB GLU 2 1HB GLU 2 7.337 -0.853 -12.535 11 2HB GLU 2 2HB GLU 2 5.886 -1.027 -13.534 12 1HG GLU 2 1HG GLU 2 8.710 -0.351 -14.471 13 2HG GLU 2 2HG GLU 2 7.775 -1.806 -14.800 14 H LEU 3 H LEU 3 7.374 0.897 -10.802 15 HA LEU 3 HA LEU 3 4.897 0.575 -9.410 16 1HB LEU 3 1HB LEU 3 7.400 1.831 -8.254 17 2HB LEU 3 2HB LEU 3 6.040 1.117 -7.374 18 HG LEU 3 HG LEU 3 8.016 -0.397 -9.129 19 1HD1 LEU 3 1HD1 LEU 3 8.688 -1.411 -6.995 20 2HD1 LEU 3 2HD1 LEU 3 8.857 0.350 -6.887 21 3HD1 LEU 3 3HD1 LEU 3 7.472 -0.449 -6.125 22 1HD2 LEU 3 1HD2 LEU 3 5.831 -1.497 -9.315 23 2HD2 LEU 3 2HD2 LEU 3 6.899 -2.442 -8.273 24 3HD2 LEU 3 3HD2 LEU 3 5.644 -1.434 -7.542 25 H GLU 4 H GLU 4 6.751 3.576 -10.192 26 HA GLU 4 HA GLU 4 5.007 5.378 -8.839 27 1HB GLU 4 1HB GLU 4 6.657 5.757 -11.356 28 2HB GLU 4 2HB GLU 4 5.783 7.051 -10.537 29 1HG GLU 4 1HG GLU 4 7.052 6.769 -8.505 30 2HG GLU 4 2HG GLU 4 7.844 5.334 -9.121 31 H LYS 5 H LYS 5 4.820 3.857 -12.068 32 HA LYS 5 HA LYS 5 2.621 5.376 -13.040 33 1HB LYS 5 1HB LYS 5 4.265 3.639 -14.192 34 2HB LYS 5 2HB LYS 5 2.975 2.493 -13.880 35 1HG LYS 5 1HG LYS 5 2.890 5.099 -15.445 36 2HG LYS 5 2HG LYS 5 2.836 3.481 -16.128 37 1HD LYS 5 1HD LYS 5 0.599 4.714 -14.423 38 2HD LYS 5 2HD LYS 5 0.699 4.742 -16.170 39 1HE LYS 5 1HE LYS 5 -0.778 3.000 -15.712 40 2HE LYS 5 2HE LYS 5 0.729 2.205 -16.191 41 1HZ LYS 5 1HZ LYS 5 1.146 1.776 -13.887 42 2HZ LYS 5 2HZ LYS 5 -0.182 2.636 -13.427 43 3HZ LYS 5 3HZ LYS 5 -0.357 1.231 -14.272 44 H ALA 6 H ALA 6 2.791 2.157 -11.505 45 HA ALA 6 HA ALA 6 0.043 1.581 -11.233 46 1HB ALA 6 1HB ALA 6 0.823 0.113 -9.352 47 2HB ALA 6 2HB ALA 6 1.824 -0.032 -10.814 48 3HB ALA 6 3HB ALA 6 2.408 0.905 -9.435 49 H VAL 7 H VAL 7 2.215 3.221 -8.919 50 HA VAL 7 HA VAL 7 0.363 3.807 -6.899 51 HB VAL 7 HB VAL 7 2.987 4.983 -7.832 52 1HG1 VAL 7 1HG1 VAL 7 1.388 6.000 -5.490 53 2HG1 VAL 7 2HG1 VAL 7 3.122 6.252 -5.731 54 3HG1 VAL 7 3HG1 VAL 7 1.969 6.929 -6.892 55 1HG2 VAL 7 1HG2 VAL 7 3.791 3.955 -5.745 56 2HG2 VAL 7 2HG2 VAL 7 2.130 3.488 -5.320 57 3HG2 VAL 7 3HG2 VAL 7 2.924 2.744 -6.704 58 H VAL 8 H VAL 8 1.358 6.035 -9.621 59 HA VAL 8 HA VAL 8 -0.590 7.963 -8.794 60 HB VAL 8 HB VAL 8 -0.280 9.125 -10.837 61 1HG1 VAL 8 1HG1 VAL 8 1.369 9.390 -9.040 62 2HG1 VAL 8 2HG1 VAL 8 2.375 8.111 -9.745 63 3HG1 VAL 8 3HG1 VAL 8 2.101 9.616 -10.637 64 1HG2 VAL 8 1HG2 VAL 8 -0.163 7.305 -12.478 65 2HG2 VAL 8 2HG2 VAL 8 1.232 8.386 -12.612 66 3HG2 VAL 8 3HG2 VAL 8 1.409 6.816 -11.821 67 H ALA 9 H ALA 9 -0.849 5.105 -10.931 68 HA ALA 9 HA ALA 9 -3.463 5.716 -11.884 69 1HB ALA 9 1HB ALA 9 -3.710 3.378 -12.352 70 2HB ALA 9 2HB ALA 9 -2.083 3.906 -12.818 71 3HB ALA 9 3HB ALA 9 -2.328 2.950 -11.340 72 H LEU 10 H LEU 10 -2.432 3.984 -8.848 73 HA LEU 10 HA LEU 10 -5.077 3.464 -7.896 74 1HB LEU 10 1HB LEU 10 -2.597 4.160 -6.261 75 2HB LEU 10 2HB LEU 10 -4.085 3.456 -5.638 76 HG LEU 10 HG LEU 10 -2.159 2.095 -7.563 77 1HD1 LEU 10 1HD1 LEU 10 -2.756 1.627 -4.616 78 2HD1 LEU 10 2HD1 LEU 10 -1.637 0.680 -5.622 79 3HD1 LEU 10 3HD1 LEU 10 -1.283 2.381 -5.268 80 1HD2 LEU 10 1HD2 LEU 10 -4.420 1.263 -7.963 81 2HD2 LEU 10 2HD2 LEU 10 -3.482 0.052 -7.085 82 3HD2 LEU 10 3HD2 LEU 10 -4.669 1.037 -6.207 83 H ILE 11 H ILE 11 -2.909 6.258 -7.352 84 HA ILE 11 HA ILE 11 -4.687 7.753 -5.723 85 HB ILE 11 HB ILE 11 -2.463 8.649 -7.587 86 1HG1 ILE 11 1HG1 ILE 11 -2.608 8.338 -4.552 87 2HG1 ILE 11 2HG1 ILE 11 -1.898 7.141 -5.631 88 1HG2 ILE 11 1HG2 ILE 11 -4.004 10.562 -7.212 89 2HG2 ILE 11 2HG2 ILE 11 -3.920 10.285 -5.461 90 3HG2 ILE 11 3HG2 ILE 11 -2.489 10.807 -6.369 91 1HD1 ILE 11 1HD1 ILE 11 -0.241 8.841 -6.410 92 2HD1 ILE 11 2HD1 ILE 11 -0.853 9.956 -5.165 93 3HD1 ILE 11 3HD1 ILE 11 -0.122 8.423 -4.691 94 H ASP 12 H ASP 12 -4.242 7.867 -9.287 95 HA ASP 12 HA ASP 12 -6.122 9.929 -9.755 96 1HB ASP 12 1HB ASP 12 -4.441 9.313 -11.402 97 2HB ASP 12 2HB ASP 12 -5.123 7.685 -11.556 98 H VAL 13 H VAL 13 -6.523 6.342 -10.043 99 HA VAL 13 HA VAL 13 -9.262 6.451 -10.835 100 HB VAL 13 HB VAL 13 -7.616 4.303 -9.437 101 1HG1 VAL 13 1HG1 VAL 13 -10.438 4.116 -10.596 102 2HG1 VAL 13 2HG1 VAL 13 -9.421 2.729 -10.166 103 3HG1 VAL 13 3HG1 VAL 13 -9.969 3.835 -8.904 104 1HG2 VAL 13 1HG2 VAL 13 -8.633 4.553 -12.304 105 2HG2 VAL 13 2HG2 VAL 13 -6.981 4.949 -11.796 106 3HG2 VAL 13 3HG2 VAL 13 -7.571 3.287 -11.644 107 H PHE 14 H PHE 14 -7.727 6.120 -7.598 108 HA PHE 14 HA PHE 14 -10.116 6.077 -6.084 109 1HB PHE 14 1HB PHE 14 -7.896 5.647 -5.137 110 2HB PHE 14 2HB PHE 14 -7.428 7.323 -5.400 111 HD1 PHE 14 HD1 PHE 14 -9.378 5.030 -3.296 112 HD2 PHE 14 HD2 PHE 14 -8.533 9.183 -4.100 113 HE1 PHE 14 HE1 PHE 14 -10.196 5.645 -1.035 114 HE2 PHE 14 HE2 PHE 14 -9.479 9.796 -1.909 115 HZ PHE 14 HZ PHE 14 -10.190 8.014 -0.310 116 H HIS 15 H HIS 15 -8.133 8.931 -7.111 117 HA HIS 15 HA HIS 15 -9.712 10.913 -5.916 118 1HB HIS 15 1HB HIS 15 -7.467 11.265 -6.819 119 2HB HIS 15 2HB HIS 15 -8.075 11.075 -8.466 120 HD1 HIS 15 HD1 HIS 15 -10.738 13.072 -7.653 121 HD2 HIS 15 HD2 HIS 15 -6.578 13.714 -7.572 122 HE1 HIS 15 HE1 HIS 15 -10.375 15.571 -8.000 123 H GLN 16 H GLN 16 -9.997 9.432 -9.180 124 HA GLN 16 HA GLN 16 -12.031 11.054 -10.203 125 1HB GLN 16 1HB GLN 16 -10.708 9.333 -11.399 126 2HB GLN 16 2HB GLN 16 -11.637 8.055 -10.636 127 1HG GLN 16 1HG GLN 16 -12.742 10.243 -12.467 128 2HG GLN 16 2HG GLN 16 -12.319 8.608 -12.980 129 1HE2 GLN 16 1HE2 GLN 16 -13.421 7.141 -10.707 130 2HE2 GLN 16 2HE2 GLN 16 -15.156 7.327 -10.802 131 H TYR 17 H TYR 17 -12.356 8.073 -8.213 132 HA TYR 17 HA TYR 17 -15.251 8.272 -8.056 133 1HB TYR 17 1HB TYR 17 -13.096 6.581 -6.766 134 2HB TYR 17 2HB TYR 17 -14.712 6.602 -6.076 135 HD1 TYR 17 HD1 TYR 17 -16.717 6.101 -7.423 136 HD2 TYR 17 HD2 TYR 17 -12.739 5.369 -8.915 137 HE1 TYR 17 HE1 TYR 17 -17.656 4.967 -9.352 138 HE2 TYR 17 HE2 TYR 17 -13.693 4.085 -10.811 139 HH TYR 17 HH TYR 17 -17.207 4.002 -11.425 140 H SER 18 H SER 18 -12.657 8.965 -5.786 141 HA SER 18 HA SER 18 -14.229 9.796 -3.584 142 1HB SER 18 1HB SER 18 -11.924 9.013 -3.428 143 2HB SER 18 2HB SER 18 -11.348 10.400 -4.371 144 HG SER 18 HG SER 18 -12.783 10.623 -1.941 145 H GLY 19 H GLY 19 -13.354 11.529 -6.540 146 1HA GLY 19 1HA GLY 19 -13.780 14.200 -5.551 147 2HA GLY 19 2HA GLY 19 -13.845 13.628 -7.230 148 H ARG 20 H ARG 20 -15.871 11.481 -6.558 149 HA ARG 20 HA ARG 20 -18.152 13.143 -7.163 150 1HB ARG 20 1HB ARG 20 -18.205 10.195 -6.518 151 2HB ARG 20 2HB ARG 20 -19.334 11.140 -7.489 152 1HG ARG 20 1HG ARG 20 -17.209 11.514 -9.059 153 2HG ARG 20 2HG ARG 20 -16.548 10.162 -8.178 154 1HD ARG 20 1HD ARG 20 -18.587 8.817 -8.593 155 2HD ARG 20 2HD ARG 20 -19.182 10.080 -9.690 156 HE ARG 20 HE ARG 20 -16.711 9.520 -10.716 157 1HH1 ARG 20 2HH1 ARG 20 -19.454 7.433 -9.831 158 2HH1 ARG 20 1HH1 ARG 20 -19.128 6.261 -11.082 159 1HH2 ARG 20 2HH2 ARG 20 -16.417 8.111 -12.422 160 2HH2 ARG 20 1HH2 ARG 20 -17.392 6.664 -12.617 161 H GLU 21 H GLU 21 -17.332 10.933 -4.422 162 HA GLU 21 HA GLU 21 -18.711 12.776 -2.585 163 1HB GLU 21 1HB GLU 21 -19.525 9.861 -2.759 164 2HB GLU 21 2HB GLU 21 -19.894 10.963 -1.429 165 1HG GLU 21 1HG GLU 21 -21.128 12.432 -3.058 166 2HG GLU 21 2HG GLU 21 -20.886 11.185 -4.295 167 H GLY 22 H GLY 22 -16.989 13.260 -1.498 168 1HA GLY 22 1HA GLY 22 -16.118 12.576 0.722 169 2HA GLY 22 2HA GLY 22 -15.418 11.162 -0.038 170 H ASP 23 H ASP 23 -15.642 14.540 -1.090 171 HA ASP 23 HA ASP 23 -14.083 16.006 -1.938 172 1HB ASP 23 1HB ASP 23 -13.315 15.556 0.972 173 2HB ASP 23 2HB ASP 23 -12.907 16.988 0.020 174 H LYS 24 H LYS 24 -13.142 13.692 -2.994 175 HA LYS 24 HA LYS 24 -11.360 12.762 -3.933 176 1HB LYS 24 1HB LYS 24 -9.641 14.127 -4.790 177 2HB LYS 24 2HB LYS 24 -11.211 14.923 -4.921 178 1HG LYS 24 1HG LYS 24 -10.628 16.428 -3.038 179 2HG LYS 24 2HG LYS 24 -9.135 15.525 -2.771 180 1HD LYS 24 1HD LYS 24 -8.532 17.487 -3.943 181 2HD LYS 24 2HD LYS 24 -8.386 16.158 -5.089 182 1HE LYS 24 1HE LYS 24 -9.397 18.059 -6.196 183 2HE LYS 24 2HE LYS 24 -10.653 16.826 -6.031 184 1HZ LYS 24 1HZ LYS 24 -11.486 18.005 -4.137 185 2HZ LYS 24 2HZ LYS 24 -10.289 19.132 -4.254 186 3HZ LYS 24 3HZ LYS 24 -11.423 19.007 -5.443 187 H HIS 25 H HIS 25 -11.414 12.724 -0.861 188 HA HIS 25 HA HIS 25 -8.697 11.535 -0.528 189 1HB HIS 25 1HB HIS 25 -10.006 13.523 1.353 190 2HB HIS 25 2HB HIS 25 -8.568 12.562 1.729 191 HD1 HIS 25 HD1 HIS 25 -6.760 12.868 -0.709 192 HD2 HIS 25 HD2 HIS 25 -9.218 15.962 0.748 193 HE1 HIS 25 HE1 HIS 25 -5.776 15.051 -1.578 194 H LYS 26 H LYS 26 -12.116 11.250 -0.047 195 HA LYS 26 HA LYS 26 -11.688 8.742 1.430 196 1HB LYS 26 1HB LYS 26 -13.998 10.566 2.120 197 2HB LYS 26 2HB LYS 26 -13.326 9.223 3.054 198 1HG LYS 26 1HG LYS 26 -11.233 10.713 3.396 199 2HG LYS 26 2HG LYS 26 -12.157 12.005 2.614 200 1HD LYS 26 1HD LYS 26 -12.608 12.484 4.822 201 2HD LYS 26 2HD LYS 26 -13.997 11.491 4.395 202 1HE LYS 26 1HE LYS 26 -13.259 10.686 6.505 203 2HE LYS 26 2HE LYS 26 -12.674 9.480 5.352 204 1HZ LYS 26 1HZ LYS 26 -10.523 10.604 5.433 205 2HZ LYS 26 2HZ LYS 26 -11.116 11.698 6.511 206 3HZ LYS 26 3HZ LYS 26 -10.989 10.114 6.934 207 H LEU 27 H LEU 27 -13.505 7.225 1.128 208 HA LEU 27 HA LEU 27 -15.134 7.792 -1.343 209 1HB LEU 27 1HB LEU 27 -14.043 5.198 -0.205 210 2HB LEU 27 2HB LEU 27 -15.232 5.284 -1.509 211 HG LEU 27 HG LEU 27 -12.477 6.544 -1.689 212 1HD1 LEU 27 1HD1 LEU 27 -11.926 4.543 -3.095 213 2HD1 LEU 27 2HD1 LEU 27 -12.320 4.076 -1.429 214 3HD1 LEU 27 3HD1 LEU 27 -13.526 3.869 -2.721 215 1HD2 LEU 27 1HD2 LEU 27 -14.524 5.835 -3.836 216 2HD2 LEU 27 2HD2 LEU 27 -14.153 7.483 -3.289 217 3HD2 LEU 27 3HD2 LEU 27 -12.914 6.533 -4.116 218 H LYS 28 H LYS 28 -17.174 8.279 -0.815 219 HA LYS 28 HA LYS 28 -18.466 7.128 1.534 220 1HB LYS 28 1HB LYS 28 -18.951 9.354 0.541 221 2HB LYS 28 2HB LYS 28 -19.694 8.551 -0.852 222 1HG LYS 28 1HG LYS 28 -21.565 7.934 0.324 223 2HG LYS 28 2HG LYS 28 -20.704 7.751 1.873 224 1HD LYS 28 1HD LYS 28 -20.538 10.062 2.259 225 2HD LYS 28 2HD LYS 28 -21.100 10.488 0.632 226 1HE LYS 28 1HE LYS 28 -22.818 9.080 2.728 227 2HE LYS 28 2HE LYS 28 -22.845 10.815 2.372 228 1HZ LYS 28 1HZ LYS 28 -23.530 8.673 0.491 229 2HZ LYS 28 2HZ LYS 28 -24.565 9.746 1.190 230 3HZ LYS 28 3HZ LYS 28 -23.438 10.270 0.103 231 H LYS 29 H LYS 29 -20.407 5.663 1.318 232 HA LYS 29 HA LYS 29 -19.465 3.345 0.127 233 1HB LYS 29 1HB LYS 29 -21.258 2.203 1.120 234 2HB LYS 29 2HB LYS 29 -20.892 3.528 2.170 235 1HG LYS 29 1HG LYS 29 -23.117 3.747 2.187 236 2HG LYS 29 2HG LYS 29 -22.836 4.781 0.787 237 1HD LYS 29 1HD LYS 29 -23.393 2.903 -0.734 238 2HD LYS 29 2HD LYS 29 -23.463 1.776 0.630 239 1HE LYS 29 1HE LYS 29 -25.343 4.149 0.284 240 2HE LYS 29 2HE LYS 29 -25.702 2.481 -0.186 241 1HZ LYS 29 1HZ LYS 29 -25.340 1.837 2.115 242 2HZ LYS 29 2HZ LYS 29 -25.142 3.414 2.536 243 3HZ LYS 29 3HZ LYS 29 -26.588 2.903 1.940 244 H SER 30 H SER 30 -21.688 5.590 -1.396 245 HA SER 30 HA SER 30 -22.586 3.969 -3.543 246 1HB SER 30 1HB SER 30 -22.331 6.423 -4.618 247 2HB SER 30 2HB SER 30 -23.558 6.099 -3.378 248 HG SER 30 HG SER 30 -22.127 7.980 -3.024 249 H GLU 31 H GLU 31 -19.580 5.819 -2.916 250 HA GLU 31 HA GLU 31 -18.531 5.368 -5.591 251 1HB GLU 31 1HB GLU 31 -16.975 6.384 -3.174 252 2HB GLU 31 2HB GLU 31 -16.680 6.674 -4.894 253 1HG GLU 31 1HG GLU 31 -18.887 7.788 -3.148 254 2HG GLU 31 2HG GLU 31 -17.603 8.680 -3.977 255 H LEU 32 H LEU 32 -17.766 4.222 -2.264 256 HA LEU 32 HA LEU 32 -15.662 2.530 -3.018 257 1HB LEU 32 1HB LEU 32 -16.285 3.213 -0.722 258 2HB LEU 32 2HB LEU 32 -17.686 2.128 -0.788 259 HG LEU 32 HG LEU 32 -15.565 1.430 0.472 260 1HD1 LEU 32 1HD1 LEU 32 -15.871 -0.919 0.035 261 2HD1 LEU 32 2HD1 LEU 32 -17.433 -0.097 0.047 262 3HD1 LEU 32 3HD1 LEU 32 -16.701 -0.583 -1.495 263 1HD2 LEU 32 1HD2 LEU 32 -13.906 1.994 -1.224 264 2HD2 LEU 32 2HD2 LEU 32 -13.794 0.309 -0.698 265 3HD2 LEU 32 3HD2 LEU 32 -14.515 0.692 -2.269 266 H LYS 33 H LYS 33 -19.194 1.866 -2.876 267 HA LYS 33 HA LYS 33 -19.173 -0.842 -3.645 268 1HB LYS 33 1HB LYS 33 -21.197 0.311 -2.921 269 2HB LYS 33 2HB LYS 33 -21.096 1.455 -4.238 270 1HG LYS 33 1HG LYS 33 -21.600 -0.300 -5.881 271 2HG LYS 33 2HG LYS 33 -21.559 -1.536 -4.602 272 1HD LYS 33 1HD LYS 33 -23.482 -0.538 -3.507 273 2HD LYS 33 2HD LYS 33 -23.430 0.871 -4.576 274 1HE LYS 33 1HE LYS 33 -25.226 -0.620 -5.306 275 2HE LYS 33 2HE LYS 33 -23.958 -0.530 -6.535 276 1HZ LYS 33 1HZ LYS 33 -23.112 -2.623 -5.676 277 2HZ LYS 33 2HZ LYS 33 -24.376 -2.718 -4.612 278 3HZ LYS 33 3HZ LYS 33 -24.657 -2.748 -6.229 279 H GLU 34 H GLU 34 -19.572 2.051 -5.799 280 HA GLU 34 HA GLU 34 -19.599 0.436 -8.136 281 1HB GLU 34 1HB GLU 34 -20.525 2.670 -8.162 282 2HB GLU 34 2HB GLU 34 -18.952 3.403 -7.787 283 1HG GLU 34 1HG GLU 34 -18.002 2.640 -9.861 284 2HG GLU 34 2HG GLU 34 -19.437 1.679 -10.262 285 H LEU 35 H LEU 35 -16.971 2.237 -6.587 286 HA LEU 35 HA LEU 35 -14.830 1.785 -8.305 287 1HB LEU 35 1HB LEU 35 -14.866 3.250 -6.445 288 2HB LEU 35 2HB LEU 35 -15.075 1.930 -5.293 289 HG LEU 35 HG LEU 35 -12.928 2.767 -5.004 290 1HD1 LEU 35 1HD1 LEU 35 -12.383 0.212 -6.531 291 2HD1 LEU 35 2HD1 LEU 35 -11.530 0.884 -5.149 292 3HD1 LEU 35 3HD1 LEU 35 -13.164 0.270 -4.925 293 1HD2 LEU 35 1HD2 LEU 35 -12.361 2.416 -7.956 294 2HD2 LEU 35 2HD2 LEU 35 -12.493 3.932 -7.030 295 3HD2 LEU 35 3HD2 LEU 35 -11.154 2.831 -6.706 296 H ILE 36 H ILE 36 -15.858 -0.388 -5.507 297 HA ILE 36 HA ILE 36 -13.882 -2.325 -6.257 298 HB ILE 36 HB ILE 36 -16.373 -2.644 -4.566 299 1HG1 ILE 36 1HG1 ILE 36 -13.393 -2.353 -3.911 300 2HG1 ILE 36 2HG1 ILE 36 -14.636 -1.122 -3.685 301 1HG2 ILE 36 1HG2 ILE 36 -15.360 -4.796 -3.809 302 2HG2 ILE 36 2HG2 ILE 36 -15.670 -4.867 -5.534 303 3HG2 ILE 36 3HG2 ILE 36 -14.027 -4.576 -4.940 304 1HD1 ILE 36 1HD1 ILE 36 -14.234 -2.082 -1.551 305 2HD1 ILE 36 2HD1 ILE 36 -15.807 -2.712 -2.087 306 3HD1 ILE 36 3HD1 ILE 36 -14.352 -3.732 -2.159 307 H ASN 37 H ASN 37 -17.407 -2.175 -7.048 308 HA ASN 37 HA ASN 37 -17.438 -4.676 -8.429 309 1HB ASN 37 1HB ASN 37 -19.153 -2.197 -8.852 310 2HB ASN 37 2HB ASN 37 -19.411 -3.747 -9.678 311 1HD2 ASN 37 2HD2 ASN 37 -19.682 -2.077 -6.608 312 2HD2 ASN 37 1HD2 ASN 37 -20.629 -3.327 -5.810 313 H ASN 38 H ASN 38 -16.636 -1.425 -9.588 314 HA ASN 38 HA ASN 38 -16.439 -2.117 -12.378 315 1HB ASN 38 1HB ASN 38 -17.051 0.124 -11.541 316 2HB ASN 38 2HB ASN 38 -15.447 0.289 -10.788 317 1HD2 ASN 38 1HD2 ASN 38 -15.541 2.363 -12.168 318 2HD2 ASN 38 2HD2 ASN 38 -14.916 2.172 -13.798 319 H GLU 39 H GLU 39 -14.020 -1.469 -9.782 320 HA GLU 39 HA GLU 39 -11.825 -1.926 -11.678 321 1HB GLU 39 1HB GLU 39 -11.881 -1.192 -8.730 322 2HB GLU 39 2HB GLU 39 -10.427 -1.351 -9.707 323 1HG GLU 39 1HG GLU 39 -12.701 0.600 -10.332 324 2HG GLU 39 2HG GLU 39 -11.217 1.022 -9.475 325 H LEU 40 H LEU 40 -13.230 -3.655 -8.842 326 HA LEU 40 HA LEU 40 -10.938 -5.545 -8.914 327 1HB LEU 40 1HB LEU 40 -12.841 -4.616 -6.863 328 2HB LEU 40 2HB LEU 40 -12.560 -6.342 -6.830 329 HG LEU 40 HG LEU 40 -10.119 -5.969 -6.692 330 1HD1 LEU 40 1HD1 LEU 40 -9.922 -3.775 -7.790 331 2HD1 LEU 40 2HD1 LEU 40 -10.880 -3.028 -6.485 332 3HD1 LEU 40 3HD1 LEU 40 -9.277 -3.722 -6.143 333 1HD2 LEU 40 1HD2 LEU 40 -10.132 -5.164 -4.373 334 2HD2 LEU 40 2HD2 LEU 40 -11.743 -4.466 -4.598 335 3HD2 LEU 40 3HD2 LEU 40 -11.521 -6.227 -4.655 336 H SER 41 H SER 41 -13.334 -5.458 -10.987 337 HA SER 41 HA SER 41 -15.111 -7.437 -10.557 338 1HB SER 41 1HB SER 41 -13.837 -7.007 -13.274 339 2HB SER 41 2HB SER 41 -15.544 -7.308 -12.881 340 HG SER 41 HG SER 41 -15.549 -5.206 -11.885 341 H HIS 42 H HIS 42 -11.742 -7.985 -11.626 342 HA HIS 42 HA HIS 42 -12.246 -10.823 -12.268 343 1HB HIS 42 1HB HIS 42 -9.578 -9.406 -12.011 344 2HB HIS 42 2HB HIS 42 -9.930 -10.920 -12.835 345 HD1 HIS 42 HD1 HIS 42 -12.600 -9.443 -14.331 346 HD2 HIS 42 HD2 HIS 42 -8.543 -8.333 -14.263 347 HE1 HIS 42 HE1 HIS 42 -12.222 -7.920 -16.350 348 H PHE 43 H PHE 43 -11.117 -8.808 -9.633 349 HA PHE 43 HA PHE 43 -9.928 -10.928 -8.038 350 1HB PHE 43 1HB PHE 43 -10.505 -8.002 -7.673 351 2HB PHE 43 2HB PHE 43 -10.128 -8.993 -6.286 352 HD1 PHE 43 HD1 PHE 43 -8.481 -9.558 -9.626 353 HD2 PHE 43 HD2 PHE 43 -8.141 -7.851 -5.682 354 HE1 PHE 43 HE1 PHE 43 -6.113 -9.046 -10.050 355 HE2 PHE 43 HE2 PHE 43 -5.700 -7.507 -6.048 356 HZ PHE 43 HZ PHE 43 -4.758 -7.881 -8.330 357 H LEU 44 H LEU 44 -12.795 -8.812 -7.462 358 HA LEU 44 HA LEU 44 -14.053 -11.017 -5.868 359 1HB LEU 44 1HB LEU 44 -13.976 -8.018 -5.487 360 2HB LEU 44 2HB LEU 44 -15.433 -8.912 -5.054 361 HG LEU 44 HG LEU 44 -14.173 -10.409 -3.593 362 1HD1 LEU 44 1HD1 LEU 44 -11.918 -10.348 -4.512 363 2HD1 LEU 44 2HD1 LEU 44 -11.817 -8.586 -4.272 364 3HD1 LEU 44 3HD1 LEU 44 -11.847 -9.687 -2.877 365 1HD2 LEU 44 1HD2 LEU 44 -13.788 -7.441 -2.993 366 2HD2 LEU 44 2HD2 LEU 44 -15.274 -8.373 -2.713 367 3HD2 LEU 44 3HD2 LEU 44 -13.808 -8.752 -1.794 368 H GLU 45 H GLU 45 -16.172 -11.495 -6.303 369 HA GLU 45 HA GLU 45 -17.198 -10.706 -8.939 370 1HB GLU 45 1HB GLU 45 -18.370 -12.460 -6.734 371 2HB GLU 45 2HB GLU 45 -19.147 -12.135 -8.291 372 1HG GLU 45 1HG GLU 45 -17.128 -13.040 -9.474 373 2HG GLU 45 2HG GLU 45 -16.436 -13.487 -7.910 374 H GLU 46 H GLU 46 -19.380 -9.845 -9.169 375 HA GLU 46 HA GLU 46 -19.707 -7.330 -8.141 376 1HB GLU 46 1HB GLU 46 -20.853 -8.192 -10.157 377 2HB GLU 46 2HB GLU 46 -21.833 -9.286 -9.157 378 1HG GLU 46 1HG GLU 46 -22.928 -7.346 -8.080 379 2HG GLU 46 2HG GLU 46 -21.923 -6.241 -9.040 380 H ILE 47 H ILE 47 -20.609 -6.414 -6.459 381 HA ILE 47 HA ILE 47 -21.009 -8.074 -4.103 382 HB ILE 47 HB ILE 47 -21.152 -5.060 -4.311 383 1HG1 ILE 47 1HG1 ILE 47 -18.723 -6.795 -3.649 384 2HG1 ILE 47 2HG1 ILE 47 -18.983 -6.026 -5.228 385 1HG2 ILE 47 1HG2 ILE 47 -22.085 -6.009 -2.220 386 2HG2 ILE 47 2HG2 ILE 47 -20.626 -6.992 -1.996 387 3HG2 ILE 47 3HG2 ILE 47 -20.547 -5.231 -1.873 388 1HD1 ILE 47 1HD1 ILE 47 -17.584 -4.595 -4.133 389 2HD1 ILE 47 2HD1 ILE 47 -19.158 -3.802 -4.081 390 3HD1 ILE 47 3HD1 ILE 47 -18.503 -4.603 -2.620 391 H LYS 48 H LYS 48 -22.900 -5.680 -5.897 392 HA LYS 48 HA LYS 48 -25.062 -5.138 -6.045 393 1HB LYS 48 1HB LYS 48 -25.349 -7.491 -6.646 394 2HB LYS 48 2HB LYS 48 -25.633 -7.916 -4.951 395 1HG LYS 48 1HG LYS 48 -27.675 -6.592 -4.889 396 2HG LYS 48 2HG LYS 48 -27.343 -5.932 -6.500 397 1HD LYS 48 1HD LYS 48 -29.041 -7.701 -6.576 398 2HD LYS 48 2HD LYS 48 -27.609 -8.142 -7.520 399 1HE LYS 48 1HE LYS 48 -26.837 -9.652 -5.749 400 2HE LYS 48 2HE LYS 48 -28.122 -9.091 -4.660 401 1HZ LYS 48 1HZ LYS 48 -28.645 -11.168 -5.685 402 2HZ LYS 48 2HZ LYS 48 -29.713 -10.013 -6.175 403 3HZ LYS 48 3HZ LYS 48 -28.518 -10.519 -7.193 404 H GLU 49 H GLU 49 -24.950 -6.998 -2.979 405 HA GLU 49 HA GLU 49 -26.989 -5.428 -1.739 406 1HB GLU 49 1HB GLU 49 -24.913 -7.330 -0.582 407 2HB GLU 49 2HB GLU 49 -26.326 -6.724 0.299 408 1HG GLU 49 1HG GLU 49 -26.407 -8.442 -2.234 409 2HG GLU 49 2HG GLU 49 -26.690 -9.004 -0.588 410 H GLN 50 H GLN 50 -26.652 -3.270 -1.413 411 HA GLN 50 HA GLN 50 -24.189 -2.058 -1.057 412 1HB GLN 50 1HB GLN 50 -26.855 -0.986 -0.035 413 2HB GLN 50 2HB GLN 50 -25.363 -0.074 -0.275 414 1HG GLN 50 1HG GLN 50 -26.337 0.444 -2.254 415 2HG GLN 50 2HG GLN 50 -25.546 -1.042 -2.770 416 1HE2 GLN 50 1HE2 GLN 50 -26.891 -2.811 -3.483 417 2HE2 GLN 50 2HE2 GLN 50 -28.641 -2.680 -3.431 418 H GLU 51 H GLU 51 -26.271 -3.450 1.429 419 HA GLU 51 HA GLU 51 -25.113 -2.328 3.729 420 1HB GLU 51 1HB GLU 51 -27.155 -3.877 3.530 421 2HB GLU 51 2HB GLU 51 -25.997 -5.226 3.467 422 1HG GLU 51 1HG GLU 51 -25.098 -4.496 5.695 423 2HG GLU 51 2HG GLU 51 -26.292 -3.189 5.727 424 H VAL 52 H VAL 52 -23.909 -4.891 1.545 425 HA VAL 52 HA VAL 52 -21.837 -5.799 3.340 426 HB VAL 52 HB VAL 52 -22.004 -6.045 0.306 427 1HG1 VAL 52 1HG1 VAL 52 -20.445 -7.929 0.695 428 2HG1 VAL 52 2HG1 VAL 52 -19.726 -6.395 1.160 429 3HG1 VAL 52 3HG1 VAL 52 -20.350 -7.493 2.412 430 1HG2 VAL 52 1HG2 VAL 52 -23.956 -7.081 1.534 431 2HG2 VAL 52 2HG2 VAL 52 -22.926 -8.267 0.744 432 3HG2 VAL 52 3HG2 VAL 52 -22.790 -8.013 2.496 433 H VAL 53 H VAL 53 -22.063 -3.239 0.760 434 HA VAL 53 HA VAL 53 -19.276 -2.733 0.802 435 HB VAL 53 HB VAL 53 -19.612 -0.904 -0.453 436 1HG1 VAL 53 1HG1 VAL 53 -20.894 -1.799 -2.337 437 2HG1 VAL 53 2HG1 VAL 53 -19.973 -3.056 -1.516 438 3HG1 VAL 53 3HG1 VAL 53 -21.731 -2.924 -1.272 439 1HG2 VAL 53 1HG2 VAL 53 -22.558 -0.700 -0.547 440 2HG2 VAL 53 2HG2 VAL 53 -21.769 0.012 0.867 441 3HG2 VAL 53 3HG2 VAL 53 -21.308 0.515 -0.740 442 H ASP 54 H ASP 54 -22.063 -1.361 2.552 443 HA ASP 54 HA ASP 54 -20.647 0.481 4.152 444 1HB ASP 54 1HB ASP 54 -23.142 -1.145 4.812 445 2HB ASP 54 2HB ASP 54 -22.503 0.157 5.816 446 H LYS 55 H LYS 55 -21.282 -3.039 4.754 447 HA LYS 55 HA LYS 55 -20.006 -3.117 7.278 448 1HB LYS 55 1HB LYS 55 -21.482 -4.862 6.520 449 2HB LYS 55 2HB LYS 55 -20.373 -5.341 5.229 450 1HG LYS 55 1HG LYS 55 -19.296 -5.302 8.051 451 2HG LYS 55 2HG LYS 55 -20.469 -6.561 7.633 452 1HD LYS 55 1HD LYS 55 -19.055 -7.337 5.776 453 2HD LYS 55 2HD LYS 55 -17.857 -6.081 6.123 454 1HE LYS 55 1HE LYS 55 -17.583 -7.009 8.437 455 2HE LYS 55 2HE LYS 55 -18.663 -8.344 7.987 456 1HZ LYS 55 1HZ LYS 55 -17.087 -8.889 6.243 457 2HZ LYS 55 2HZ LYS 55 -16.099 -7.660 6.728 458 3HZ LYS 55 3HZ LYS 55 -16.382 -8.932 7.733 459 H VAL 56 H VAL 56 -18.606 -3.856 4.003 460 HA VAL 56 HA VAL 56 -16.056 -4.502 5.161 461 HB VAL 56 HB VAL 56 -15.090 -4.504 3.006 462 1HG1 VAL 56 1HG1 VAL 56 -16.478 -6.167 1.878 463 2HG1 VAL 56 2HG1 VAL 56 -16.497 -6.442 3.625 464 3HG1 VAL 56 3HG1 VAL 56 -17.894 -5.706 2.820 465 1HG2 VAL 56 1HG2 VAL 56 -16.005 -2.499 1.985 466 2HG2 VAL 56 2HG2 VAL 56 -16.360 -3.897 0.958 467 3HG2 VAL 56 3HG2 VAL 56 -17.622 -3.224 2.004 468 H MET 57 H MET 57 -17.475 -1.406 3.977 469 HA MET 57 HA MET 57 -15.106 0.147 4.389 470 1HB MET 57 1HB MET 57 -18.071 0.797 4.581 471 2HB MET 57 2HB MET 57 -16.802 2.009 4.836 472 1HG MET 57 1HG MET 57 -15.887 1.663 2.662 473 2HG MET 57 2HG MET 57 -16.878 0.229 2.378 474 1HE MET 57 1HE MET 57 -16.716 4.013 2.690 475 2HE MET 57 2HE MET 57 -18.353 4.560 2.289 476 3HE MET 57 3HE MET 57 -18.059 3.762 3.844 477 H GLU 58 H GLU 58 -17.831 -0.537 6.616 478 HA GLU 58 HA GLU 58 -16.897 0.803 8.872 479 1HB GLU 58 1HB GLU 58 -19.118 -0.179 8.703 480 2HB GLU 58 2HB GLU 58 -18.451 -1.819 8.694 481 1HG GLU 58 1HG GLU 58 -17.643 -1.573 10.985 482 2HG GLU 58 2HG GLU 58 -18.111 0.132 10.990 483 H THR 59 H THR 59 -16.178 -2.490 7.825 484 HA THR 59 HA THR 59 -14.494 -3.351 9.906 485 HB THR 59 HB THR 59 -14.483 -4.014 6.935 486 HG1 THR 59 HG1 THR 59 -16.413 -4.440 7.927 487 1HG2 THR 59 1HG2 THR 59 -13.176 -5.528 9.209 488 2HG2 THR 59 2HG2 THR 59 -13.466 -6.162 7.571 489 3HG2 THR 59 3HG2 THR 59 -12.369 -4.798 7.794 490 H LEU 60 H LEU 60 -13.722 -1.156 7.200 491 HA LEU 60 HA LEU 60 -10.809 -1.225 7.823 492 1HB LEU 60 1HB LEU 60 -12.380 0.280 5.692 493 2HB LEU 60 2HB LEU 60 -10.632 0.117 5.785 494 HG LEU 60 HG LEU 60 -12.391 -2.337 5.477 495 1HD1 LEU 60 1HD1 LEU 60 -12.944 -0.796 3.648 496 2HD1 LEU 60 2HD1 LEU 60 -11.224 -0.543 3.308 497 3HD1 LEU 60 3HD1 LEU 60 -11.973 -2.143 3.048 498 1HD2 LEU 60 1HD2 LEU 60 -9.477 -1.711 4.928 499 2HD2 LEU 60 2HD2 LEU 60 -10.139 -2.693 6.255 500 3HD2 LEU 60 3HD2 LEU 60 -10.310 -3.249 4.576 501 H ASP 61 H ASP 61 -13.570 0.795 7.990 502 HA ASP 61 HA ASP 61 -12.657 3.356 7.939 503 1HB ASP 61 1HB ASP 61 -15.000 2.683 7.770 504 2HB ASP 61 2HB ASP 61 -15.019 2.269 9.494 505 H SER 62 H SER 62 -10.563 2.875 9.291 506 HA SER 62 HA SER 62 -10.533 3.235 12.061 507 1HB SER 62 1HB SER 62 -8.602 4.509 10.076 508 2HB SER 62 2HB SER 62 -8.310 4.146 11.785 509 HG SER 62 HG SER 62 -8.599 2.333 9.624 510 H ASP 63 H ASP 63 -11.420 5.569 9.574 511 HA ASP 63 HA ASP 63 -11.092 7.941 11.186 512 1HB ASP 63 1HB ASP 63 -12.965 7.508 8.819 513 2HB ASP 63 2HB ASP 63 -12.364 9.041 9.445 514 H GLY 64 H GLY 64 -13.439 5.361 11.260 515 1HA GLY 64 1HA GLY 64 -15.537 5.149 12.117 516 2HA GLY 64 2HA GLY 64 -15.050 6.377 13.293 517 H ASP 65 H ASP 65 -15.357 6.859 9.738 518 HA ASP 65 HA ASP 65 -17.414 8.966 10.272 519 1HB ASP 65 1HB ASP 65 -15.074 9.749 9.745 520 2HB ASP 65 2HB ASP 65 -15.195 8.918 8.183 521 H GLY 66 H GLY 66 -17.233 5.912 9.165 522 1HA GLY 66 1HA GLY 66 -18.472 4.679 7.713 523 2HA GLY 66 2HA GLY 66 -19.366 6.118 7.201 524 H GLU 67 H GLU 67 -17.882 7.732 6.030 525 HA GLU 67 HA GLU 67 -17.095 6.473 3.572 526 1HB GLU 67 1HB GLU 67 -16.370 8.700 2.816 527 2HB GLU 67 2HB GLU 67 -18.042 8.580 3.374 528 1HG GLU 67 1HG GLU 67 -17.400 9.645 5.534 529 2HG GLU 67 2HG GLU 67 -15.751 9.834 4.919 530 H CYS 68 H CYS 68 -15.148 5.681 2.965 531 HA CYS 68 HA CYS 68 -13.166 5.414 5.161 532 1HB CYS 68 1HB CYS 68 -13.892 3.825 2.705 533 2HB CYS 68 2HB CYS 68 -12.254 3.665 3.386 534 HG CYS 68 HG CYS 68 -15.063 3.527 5.101 535 H ASP 69 H ASP 69 -11.217 6.333 5.193 536 HA ASP 69 HA ASP 69 -10.572 8.379 3.304 537 1HB ASP 69 1HB ASP 69 -10.017 8.401 5.723 538 2HB ASP 69 2HB ASP 69 -8.800 7.135 5.447 539 H PHE 70 H PHE 70 -8.633 8.512 1.980 540 HA PHE 70 HA PHE 70 -7.917 6.424 0.346 541 1HB PHE 70 1HB PHE 70 -7.230 8.808 0.088 542 2HB PHE 70 2HB PHE 70 -6.028 8.587 1.353 543 HD1 PHE 70 HD1 PHE 70 -3.808 7.818 0.687 544 HD2 PHE 70 HD2 PHE 70 -7.179 7.109 -1.869 545 HE1 PHE 70 HE1 PHE 70 -2.307 6.971 -1.068 546 HE2 PHE 70 HE2 PHE 70 -5.678 6.324 -3.676 547 HZ PHE 70 HZ PHE 70 -3.238 6.227 -3.295 548 H GLN 71 H GLN 71 -6.486 7.158 3.568 549 HA GLN 71 HA GLN 71 -4.499 5.164 3.528 550 1HB GLN 71 1HB GLN 71 -4.578 6.938 5.191 551 2HB GLN 71 2HB GLN 71 -6.105 6.326 5.836 552 1HG GLN 71 1HG GLN 71 -4.247 5.743 7.290 553 2HG GLN 71 2HG GLN 71 -4.978 4.278 6.647 554 1HE2 GLN 71 1HE2 GLN 71 -3.814 3.164 4.822 555 2HE2 GLN 71 2HE2 GLN 71 -2.058 3.358 4.754 556 H GLU 72 H GLU 72 -7.989 4.888 4.323 557 HA GLU 72 HA GLU 72 -7.728 2.170 5.414 558 1HB GLU 72 1HB GLU 72 -10.252 3.600 4.507 559 2HB GLU 72 2HB GLU 72 -10.098 2.227 5.606 560 1HG GLU 72 1HG GLU 72 -9.527 5.131 6.127 561 2HG GLU 72 2HG GLU 72 -10.485 3.998 7.065 562 H PHE 73 H PHE 73 -8.751 3.720 2.411 563 HA PHE 73 HA PHE 73 -9.308 1.405 0.851 564 1HB PHE 73 1HB PHE 73 -9.906 3.460 -0.034 565 2HB PHE 73 2HB PHE 73 -8.363 4.204 0.301 566 HD1 PHE 73 HD1 PHE 73 -6.536 4.110 -1.310 567 HD2 PHE 73 HD2 PHE 73 -10.168 1.869 -1.971 568 HE1 PHE 73 HE1 PHE 73 -5.922 3.800 -3.692 569 HE2 PHE 73 HE2 PHE 73 -9.570 1.628 -4.364 570 HZ PHE 73 HZ PHE 73 -7.504 2.650 -5.250 571 H MET 74 H MET 74 -6.151 3.118 1.354 572 HA MET 74 HA MET 74 -4.566 1.287 -0.084 573 1HB MET 74 1HB MET 74 -3.872 3.080 2.265 574 2HB MET 74 2HB MET 74 -2.702 2.079 1.421 575 1HG MET 74 1HG MET 74 -4.073 3.475 -0.645 576 2HG MET 74 2HG MET 74 -3.816 4.642 0.648 577 1HE MET 74 1HE MET 74 -0.393 2.442 -1.585 578 2HE MET 74 2HE MET 74 -1.506 1.567 -0.518 579 3HE MET 74 3HE MET 74 -2.111 2.305 -2.021 580 H ALA 75 H ALA 75 -5.475 1.246 3.359 581 HA ALA 75 HA ALA 75 -4.022 -1.083 4.073 582 1HB ALA 75 1HB ALA 75 -5.145 0.393 5.709 583 2HB ALA 75 2HB ALA 75 -6.726 -0.221 5.182 584 3HB ALA 75 3HB ALA 75 -5.561 -1.316 5.942 585 H PHE 76 H PHE 76 -7.320 -0.789 2.713 586 HA PHE 76 HA PHE 76 -7.925 -3.599 2.656 587 1HB PHE 76 1HB PHE 76 -9.664 -1.997 2.473 588 2HB PHE 76 2HB PHE 76 -8.938 -1.214 1.091 589 HD1 PHE 76 HD1 PHE 76 -10.843 -4.246 2.182 590 HD2 PHE 76 HD2 PHE 76 -9.256 -1.967 -1.141 591 HE1 PHE 76 HE1 PHE 76 -12.219 -5.559 0.598 592 HE2 PHE 76 HE2 PHE 76 -10.706 -3.226 -2.691 593 HZ PHE 76 HZ PHE 76 -12.150 -5.058 -1.844 594 H VAL 77 H VAL 77 -6.639 -1.398 0.154 595 HA VAL 77 HA VAL 77 -6.197 -3.244 -1.911 596 HB VAL 77 HB VAL 77 -4.793 -0.698 -1.066 597 1HG1 VAL 77 1HG1 VAL 77 -4.202 -2.365 -3.554 598 2HG1 VAL 77 2HG1 VAL 77 -3.707 -0.677 -3.328 599 3HG1 VAL 77 3HG1 VAL 77 -3.050 -1.925 -2.272 600 1HG2 VAL 77 1HG2 VAL 77 -5.929 0.236 -3.006 601 2HG2 VAL 77 2HG2 VAL 77 -6.512 -1.374 -3.485 602 3HG2 VAL 77 3HG2 VAL 77 -7.131 -0.607 -2.010 603 H ALA 78 H ALA 78 -4.070 -2.433 0.894 604 HA ALA 78 HA ALA 78 -1.868 -3.946 0.060 605 1HB ALA 78 1HB ALA 78 -1.829 -2.355 1.948 606 2HB ALA 78 2HB ALA 78 -2.795 -3.484 2.924 607 3HB ALA 78 3HB ALA 78 -1.164 -3.937 2.394 608 H MET 79 H MET 79 -4.558 -5.033 2.228 609 HA MET 79 HA MET 79 -3.434 -7.700 2.346 610 1HB MET 79 1HB MET 79 -5.643 -8.380 3.313 611 2HB MET 79 2HB MET 79 -4.687 -7.185 4.199 612 1HG MET 79 1HG MET 79 -6.145 -5.400 3.459 613 2HG MET 79 2HG MET 79 -7.102 -6.528 2.466 614 1HE MET 79 1HE MET 79 -9.312 -5.387 5.583 615 2HE MET 79 2HE MET 79 -7.994 -4.430 4.858 616 3HE MET 79 3HE MET 79 -9.144 -5.315 3.810 617 H ILE 80 H ILE 80 -5.981 -6.251 0.319 618 HA ILE 80 HA ILE 80 -6.795 -8.633 -1.029 619 HB ILE 80 HB ILE 80 -6.628 -5.713 -1.833 620 1HG1 ILE 80 1HG1 ILE 80 -8.195 -6.514 0.071 621 2HG1 ILE 80 2HG1 ILE 80 -8.853 -5.509 -1.221 622 1HG2 ILE 80 1HG2 ILE 80 -8.237 -6.287 -3.657 623 2HG2 ILE 80 2HG2 ILE 80 -6.597 -6.884 -3.908 624 3HG2 ILE 80 3HG2 ILE 80 -7.867 -8.008 -3.372 625 1HD1 ILE 80 1HD1 ILE 80 -9.110 -8.539 -1.146 626 2HD1 ILE 80 2HD1 ILE 80 -10.325 -7.403 -0.535 627 3HD1 ILE 80 3HD1 ILE 80 -9.931 -7.421 -2.258 628 H THR 81 H THR 81 -4.185 -6.299 -1.730 629 HA THR 81 HA THR 81 -3.216 -7.597 -4.056 630 HB THR 81 HB THR 81 -1.881 -5.708 -2.075 631 HG1 THR 81 HG1 THR 81 -3.557 -4.794 -3.136 632 1HG2 THR 81 1HG2 THR 81 -0.365 -5.233 -4.104 633 2HG2 THR 81 2HG2 THR 81 -0.052 -6.696 -3.162 634 3HG2 THR 81 3HG2 THR 81 -0.872 -6.832 -4.707 635 H THR 82 H THR 82 -2.222 -7.895 -0.542 636 HA THR 82 HA THR 82 -0.213 -9.815 -0.896 637 HB THR 82 HB THR 82 -2.234 -9.523 1.355 638 HG1 THR 82 HG1 THR 82 0.464 -8.668 1.123 639 1HG2 THR 82 1HG2 THR 82 0.381 -11.083 1.250 640 2HG2 THR 82 2HG2 THR 82 -0.508 -10.676 2.736 641 3HG2 THR 82 3HG2 THR 82 -1.250 -11.729 1.530 642 H ALA 83 H ALA 83 -3.796 -10.373 -0.597 643 HA ALA 83 HA ALA 83 -3.585 -13.210 -0.846 644 1HB ALA 83 1HB ALA 83 -5.628 -12.105 -0.122 645 2HB ALA 83 2HB ALA 83 -5.870 -11.404 -1.738 646 3HB ALA 83 3HB ALA 83 -5.942 -13.163 -1.506 647 H CYS 84 H CYS 84 -3.976 -10.685 -3.379 648 HA CYS 84 HA CYS 84 -3.975 -12.473 -5.577 649 1HB CYS 84 1HB CYS 84 -4.625 -10.183 -5.876 650 2HB CYS 84 2HB CYS 84 -2.977 -9.609 -5.493 651 HG CYS 84 HG CYS 84 -3.521 -9.550 -8.108 652 H HIS 85 H HIS 85 -1.185 -10.896 -3.972 653 HA HIS 85 HA HIS 85 0.909 -11.913 -5.544 654 1HB HIS 85 1HB HIS 85 1.194 -10.163 -3.888 655 2HB HIS 85 2HB HIS 85 0.754 -11.246 -2.580 656 HD1 HIS 85 HD1 HIS 85 2.547 -13.288 -2.046 657 HD2 HIS 85 HD2 HIS 85 3.751 -10.025 -4.410 658 HE1 HIS 85 HE1 HIS 85 5.085 -13.200 -1.919 659 H GLU 86 H GLU 86 -0.471 -13.289 -2.497 660 HA GLU 86 HA GLU 86 1.090 -15.647 -2.485 661 1HB GLU 86 1HB GLU 86 -1.723 -15.066 -1.454 662 2HB GLU 86 2HB GLU 86 -0.899 -16.603 -1.196 663 1HG GLU 86 1HG GLU 86 0.982 -15.434 -0.065 664 2HG GLU 86 2HG GLU 86 0.171 -13.882 -0.311 665 H PHE 87 H PHE 87 -2.115 -15.068 -3.945 666 HA PHE 87 HA PHE 87 -2.592 -17.602 -5.055 667 1HB PHE 87 1HB PHE 87 -4.401 -16.244 -5.191 668 2HB PHE 87 2HB PHE 87 -3.477 -14.808 -5.563 669 HD1 PHE 87 HD1 PHE 87 -4.366 -18.069 -7.226 670 HD2 PHE 87 HD2 PHE 87 -3.718 -13.828 -7.665 671 HE1 PHE 87 HE1 PHE 87 -5.146 -18.189 -9.572 672 HE2 PHE 87 HE2 PHE 87 -4.497 -13.953 -10.004 673 HZ PHE 87 HZ PHE 87 -5.226 -16.130 -10.966 674 H PHE 88 H PHE 88 -1.065 -14.801 -6.596 675 HA PHE 88 HA PHE 88 -0.562 -16.062 -9.095 676 1HB PHE 88 1HB PHE 88 -0.853 -13.672 -8.651 677 2HB PHE 88 2HB PHE 88 0.683 -13.620 -7.764 678 HD1 PHE 88 HD1 PHE 88 -0.874 -13.993 -11.124 679 HD2 PHE 88 HD2 PHE 88 2.825 -13.583 -8.940 680 HE1 PHE 88 HE1 PHE 88 0.304 -13.402 -13.224 681 HE2 PHE 88 HE2 PHE 88 3.992 -12.982 -11.050 682 HZ PHE 88 HZ PHE 88 2.734 -12.867 -13.183 683 H GLU 89 H GLU 89 1.371 -15.669 -6.157 684 HA GLU 89 HA GLU 89 3.848 -16.608 -7.283 685 1HB GLU 89 1HB GLU 89 3.686 -15.073 -5.375 686 2HB GLU 89 2HB GLU 89 2.903 -16.321 -4.393 687 1HG GLU 89 1HG GLU 89 4.934 -17.714 -4.505 688 2HG GLU 89 2HG GLU 89 5.688 -16.543 -5.607 689 H HIS 90 H HIS 90 1.636 -18.146 -4.814 690 HA HIS 90 HA HIS 90 3.102 -20.683 -5.269 691 1HB HIS 90 1HB HIS 90 2.608 -19.812 -2.993 692 2HB HIS 90 2HB HIS 90 0.883 -20.039 -3.300 693 HD1 HIS 90 HD1 HIS 90 0.020 -22.607 -3.203 694 HD2 HIS 90 HD2 HIS 90 4.169 -22.019 -2.741 695 HE1 HIS 90 HE1 HIS 90 0.997 -24.832 -2.448 696 H GLU 91 H GLU 91 2.230 -20.543 -7.545 697 HA GLU 91 HA GLU 91 -0.529 -21.025 -8.079 698 1HB GLU 91 1HB GLU 91 1.876 -21.829 -9.774 699 2HB GLU 91 2HB GLU 91 0.192 -21.687 -10.313 700 1HG GLU 91 1HG GLU 91 0.256 -19.243 -9.594 701 2HG GLU 91 2HG GLU 91 1.995 -19.432 -9.325 702 1H SER 1 1H SER 1 -11.371 -3.019 -14.639 703 2H SER 1 2H SER 1 -10.842 -1.769 -13.706 704 3H SER 1 3H SER 1 -10.309 -1.935 -15.271 705 HA SER 1 HA SER 1 -9.818 -3.783 -13.053 706 1HB SER 1 1HB SER 1 -8.793 -3.954 -15.887 707 2HB SER 1 2HB SER 1 -8.534 -5.135 -14.574 708 HG SER 1 HG SER 1 -10.280 -5.968 -15.525 709 H GLU 2 H GLU 2 -9.046 -0.752 -13.976 710 HA GLU 2 HA GLU 2 -6.283 -0.729 -14.325 711 1HB GLU 2 1HB GLU 2 -7.753 1.212 -14.719 712 2HB GLU 2 2HB GLU 2 -7.992 1.401 -12.978 713 1HG GLU 2 1HG GLU 2 -6.313 2.988 -13.843 714 2HG GLU 2 2HG GLU 2 -5.590 1.880 -12.672 715 H LEU 3 H LEU 3 -8.082 -0.540 -11.191 716 HA LEU 3 HA LEU 3 -5.752 -0.368 -9.547 717 1HB LEU 3 1HB LEU 3 -8.315 -1.868 -8.894 718 2HB LEU 3 2HB LEU 3 -7.061 -1.363 -7.746 719 HG LEU 3 HG LEU 3 -8.891 0.480 -9.328 720 1HD1 LEU 3 1HD1 LEU 3 -9.823 0.989 -7.120 721 2HD1 LEU 3 2HD1 LEU 3 -9.908 -0.759 -7.389 722 3HD1 LEU 3 3HD1 LEU 3 -8.652 -0.088 -6.336 723 1HD2 LEU 3 1HD2 LEU 3 -6.736 1.616 -9.051 724 2HD2 LEU 3 2HD2 LEU 3 -7.930 2.303 -7.942 725 3HD2 LEU 3 3HD2 LEU 3 -6.718 1.172 -7.323 726 H GLU 4 H GLU 4 -7.440 -3.272 -10.817 727 HA GLU 4 HA GLU 4 -5.779 -5.207 -9.557 728 1HB GLU 4 1HB GLU 4 -7.245 -5.365 -12.210 729 2HB GLU 4 2HB GLU 4 -6.583 -6.734 -11.318 730 1HG GLU 4 1HG GLU 4 -8.092 -6.345 -9.443 731 2HG GLU 4 2HG GLU 4 -8.695 -4.859 -10.165 732 H LYS 5 H LYS 5 -5.489 -3.431 -12.626 733 HA LYS 5 HA LYS 5 -3.297 -4.883 -13.705 734 1HB LYS 5 1HB LYS 5 -4.706 -3.480 -15.087 735 2HB LYS 5 2HB LYS 5 -4.217 -2.031 -14.206 736 1HG LYS 5 1HG LYS 5 -3.092 -2.199 -16.355 737 2HG LYS 5 2HG LYS 5 -1.938 -2.200 -15.019 738 1HD LYS 5 1HD LYS 5 -1.613 -4.635 -15.241 739 2HD LYS 5 2HD LYS 5 -2.938 -4.730 -16.416 740 1HE LYS 5 1HE LYS 5 -0.780 -4.822 -17.557 741 2HE LYS 5 2HE LYS 5 -1.634 -3.337 -18.006 742 1HZ LYS 5 1HZ LYS 5 0.495 -3.542 -15.985 743 2HZ LYS 5 2HZ LYS 5 0.675 -2.958 -17.515 744 3HZ LYS 5 3HZ LYS 5 -0.275 -2.156 -16.436 745 H ALA 6 H ALA 6 -3.463 -1.781 -11.928 746 HA ALA 6 HA ALA 6 -0.715 -1.257 -11.583 747 1HB ALA 6 1HB ALA 6 -2.494 0.330 -11.044 748 2HB ALA 6 2HB ALA 6 -3.096 -0.720 -9.755 749 3HB ALA 6 3HB ALA 6 -1.507 0.050 -9.592 750 H VAL 7 H VAL 7 -2.944 -3.141 -9.501 751 HA VAL 7 HA VAL 7 -1.066 -3.907 -7.546 752 HB VAL 7 HB VAL 7 -3.716 -5.001 -8.511 753 1HG1 VAL 7 1HG1 VAL 7 -2.656 -7.016 -7.823 754 2HG1 VAL 7 2HG1 VAL 7 -1.923 -6.210 -6.423 755 3HG1 VAL 7 3HG1 VAL 7 -3.674 -6.481 -6.474 756 1HG2 VAL 7 1HG2 VAL 7 -3.631 -2.892 -7.172 757 2HG2 VAL 7 2HG2 VAL 7 -4.433 -4.203 -6.293 758 3HG2 VAL 7 3HG2 VAL 7 -2.760 -3.750 -5.901 759 H VAL 8 H VAL 8 -2.075 -5.867 -10.455 760 HA VAL 8 HA VAL 8 -0.153 -7.892 -9.811 761 HB VAL 8 HB VAL 8 -0.483 -8.847 -11.968 762 1HG1 VAL 8 1HG1 VAL 8 -2.106 -9.290 -10.191 763 2HG1 VAL 8 2HG1 VAL 8 -3.111 -7.931 -10.732 764 3HG1 VAL 8 3HG1 VAL 8 -2.871 -9.334 -11.789 765 1HG2 VAL 8 1HG2 VAL 8 -2.151 -6.425 -12.666 766 2HG2 VAL 8 2HG2 VAL 8 -0.611 -6.878 -13.418 767 3HG2 VAL 8 3HG2 VAL 8 -2.037 -7.906 -13.625 768 H ALA 9 H ALA 9 0.114 -4.892 -11.743 769 HA ALA 9 HA ALA 9 2.742 -5.390 -12.720 770 1HB ALA 9 1HB ALA 9 1.518 -2.727 -11.888 771 2HB ALA 9 2HB ALA 9 2.955 -2.968 -12.895 772 3HB ALA 9 3HB ALA 9 1.365 -3.499 -13.480 773 H LEU 10 H LEU 10 1.605 -4.027 -9.538 774 HA LEU 10 HA LEU 10 4.141 -3.472 -8.464 775 1HB LEU 10 1HB LEU 10 1.501 -3.240 -7.645 776 2HB LEU 10 2HB LEU 10 2.019 -4.605 -6.673 777 HG LEU 10 HG LEU 10 4.063 -3.032 -6.073 778 1HD1 LEU 10 1HD1 LEU 10 3.523 -0.648 -6.158 779 2HD1 LEU 10 2HD1 LEU 10 3.378 -1.283 -7.811 780 3HD1 LEU 10 3HD1 LEU 10 1.924 -0.982 -6.852 781 1HD2 LEU 10 1HD2 LEU 10 1.208 -2.578 -5.112 782 2HD2 LEU 10 2HD2 LEU 10 2.335 -3.809 -4.502 783 3HD2 LEU 10 3HD2 LEU 10 2.675 -2.088 -4.224 784 H ILE 11 H ILE 11 2.117 -6.403 -8.238 785 HA ILE 11 HA ILE 11 3.883 -8.003 -6.701 786 HB ILE 11 HB ILE 11 1.725 -8.704 -8.724 787 1HG1 ILE 11 1HG1 ILE 11 1.743 -8.909 -5.690 788 2HG1 ILE 11 2HG1 ILE 11 1.170 -7.470 -6.531 789 1HG2 ILE 11 1HG2 ILE 11 1.751 -11.005 -7.749 790 2HG2 ILE 11 2HG2 ILE 11 3.225 -10.631 -8.610 791 3HG2 ILE 11 3HG2 ILE 11 3.207 -10.574 -6.833 792 1HD1 ILE 11 1HD1 ILE 11 -0.699 -8.891 -5.896 793 2HD1 ILE 11 2HD1 ILE 11 -0.585 -8.741 -7.658 794 3HD1 ILE 11 3HD1 ILE 11 -0.071 -10.233 -6.850 795 H ASP 12 H ASP 12 3.506 -7.842 -10.272 796 HA ASP 12 HA ASP 12 5.449 -9.816 -10.843 797 1HB ASP 12 1HB ASP 12 3.734 -9.121 -12.445 798 2HB ASP 12 2HB ASP 12 4.444 -7.501 -12.551 799 H VAL 13 H VAL 13 5.733 -6.221 -10.884 800 HA VAL 13 HA VAL 13 8.459 -6.086 -11.642 801 HB VAL 13 HB VAL 13 6.729 -4.234 -9.934 802 1HG1 VAL 13 1HG1 VAL 13 9.496 -3.754 -11.114 803 2HG1 VAL 13 2HG1 VAL 13 8.423 -2.481 -10.497 804 3HG1 VAL 13 3HG1 VAL 13 9.049 -3.708 -9.390 805 1HG2 VAL 13 1HG2 VAL 13 7.740 -3.958 -12.810 806 2HG2 VAL 13 2HG2 VAL 13 6.163 -4.657 -12.439 807 3HG2 VAL 13 3HG2 VAL 13 6.497 -2.979 -11.995 808 H PHE 14 H PHE 14 6.927 -6.143 -8.398 809 HA PHE 14 HA PHE 14 9.274 -6.080 -6.848 810 1HB PHE 14 1HB PHE 14 7.068 -5.763 -5.901 811 2HB PHE 14 2HB PHE 14 6.570 -7.381 -6.374 812 HD1 PHE 14 HD1 PHE 14 8.644 -5.461 -3.975 813 HD2 PHE 14 HD2 PHE 14 7.273 -9.377 -5.176 814 HE1 PHE 14 HE1 PHE 14 9.420 -6.413 -1.815 815 HE2 PHE 14 HE2 PHE 14 8.187 -10.321 -3.117 816 HZ PHE 14 HZ PHE 14 9.219 -8.849 -1.383 817 H HIS 15 H HIS 15 7.436 -9.006 -7.989 818 HA HIS 15 HA HIS 15 9.199 -10.938 -6.942 819 1HB HIS 15 1HB HIS 15 7.450 -10.952 -9.433 820 2HB HIS 15 2HB HIS 15 8.373 -12.355 -8.896 821 HD1 HIS 15 HD1 HIS 15 7.713 -12.202 -5.747 822 HD2 HIS 15 HD2 HIS 15 5.123 -12.147 -9.064 823 HE1 HIS 15 HE1 HIS 15 5.546 -13.309 -5.011 824 H GLN 16 H GLN 16 9.227 -9.346 -10.141 825 HA GLN 16 HA GLN 16 11.389 -10.679 -11.276 826 1HB GLN 16 1HB GLN 16 10.093 -9.396 -12.661 827 2HB GLN 16 2HB GLN 16 10.174 -7.950 -11.697 828 1HG GLN 16 1HG GLN 16 12.551 -9.143 -13.204 829 2HG GLN 16 2HG GLN 16 11.458 -7.930 -13.877 830 1HE2 GLN 16 1HE2 GLN 16 11.250 -6.462 -11.138 831 2HE2 GLN 16 2HE2 GLN 16 12.771 -5.603 -11.125 832 H TYR 17 H TYR 17 11.537 -7.841 -9.039 833 HA TYR 17 HA TYR 17 14.480 -7.861 -9.087 834 1HB TYR 17 1HB TYR 17 12.448 -6.619 -7.188 835 2HB TYR 17 2HB TYR 17 14.188 -6.463 -7.002 836 HD1 TYR 17 HD1 TYR 17 11.306 -4.977 -8.498 837 HD2 TYR 17 HD2 TYR 17 15.555 -5.460 -8.909 838 HE1 TYR 17 HE1 TYR 17 11.389 -2.971 -9.932 839 HE2 TYR 17 HE2 TYR 17 15.631 -3.471 -10.412 840 HH TYR 17 HH TYR 17 12.684 -1.677 -11.382 841 H SER 18 H SER 18 12.035 -8.827 -6.684 842 HA SER 18 HA SER 18 13.692 -9.662 -4.646 843 1HB SER 18 1HB SER 18 10.950 -10.793 -5.334 844 2HB SER 18 2HB SER 18 11.717 -10.737 -3.746 845 HG SER 18 HG SER 18 10.701 -8.603 -5.226 846 H GLY 19 H GLY 19 12.615 -11.652 -7.414 847 1HA GLY 19 1HA GLY 19 13.409 -14.178 -6.381 848 2HA GLY 19 2HA GLY 19 13.240 -13.732 -8.087 849 H ARG 20 H ARG 20 15.322 -11.487 -7.733 850 HA ARG 20 HA ARG 20 17.415 -13.238 -8.699 851 1HB ARG 20 1HB ARG 20 17.552 -10.231 -8.350 852 2HB ARG 20 2HB ARG 20 18.551 -11.285 -9.372 853 1HG ARG 20 1HG ARG 20 16.116 -11.988 -10.326 854 2HG ARG 20 2HG ARG 20 15.672 -10.438 -9.648 855 1HD ARG 20 1HD ARG 20 18.113 -10.242 -11.339 856 2HD ARG 20 2HD ARG 20 16.713 -10.886 -12.182 857 HE ARG 20 HE ARG 20 15.555 -8.929 -11.995 858 1HH1 ARG 20 2HH2 ARG 20 18.395 -8.664 -9.887 859 2HH1 ARG 20 1HH2 ARG 20 18.303 -6.918 -9.807 860 1HH2 ARG 20 2HH1 ARG 20 15.451 -6.691 -11.872 861 2HH2 ARG 20 1HH1 ARG 20 16.641 -5.799 -10.923 862 H GLU 21 H GLU 21 17.128 -11.047 -5.858 863 HA GLU 21 HA GLU 21 19.033 -12.799 -4.476 864 1HB GLU 21 1HB GLU 21 19.563 -9.817 -4.474 865 2HB GLU 21 2HB GLU 21 20.418 -11.072 -3.585 866 1HG GLU 21 1HG GLU 21 21.151 -12.079 -5.743 867 2HG GLU 21 2HG GLU 21 20.334 -10.770 -6.617 868 H GLY 22 H GLY 22 17.682 -13.551 -3.032 869 1HA GLY 22 1HA GLY 22 16.932 -12.786 -0.676 870 2HA GLY 22 2HA GLY 22 15.783 -11.788 -1.580 871 H ASP 23 H ASP 23 14.046 -12.827 -2.677 872 HA ASP 23 HA ASP 23 13.951 -15.563 -3.388 873 1HB ASP 23 1HB ASP 23 13.736 -16.115 -1.004 874 2HB ASP 23 2HB ASP 23 12.562 -14.813 -0.771 875 H LYS 24 H LYS 24 11.649 -16.007 -4.223 876 HA LYS 24 HA LYS 24 10.476 -14.078 -5.776 877 1HB LYS 24 1HB LYS 24 9.062 -16.236 -4.173 878 2HB LYS 24 2HB LYS 24 8.395 -15.376 -5.580 879 1HG LYS 24 1HG LYS 24 10.299 -16.254 -6.962 880 2HG LYS 24 2HG LYS 24 10.793 -17.269 -5.605 881 1HD LYS 24 1HD LYS 24 8.116 -17.340 -7.075 882 2HD LYS 24 2HD LYS 24 9.410 -18.534 -7.192 883 1HE LYS 24 1HE LYS 24 7.677 -17.954 -4.739 884 2HE LYS 24 2HE LYS 24 7.632 -19.387 -5.766 885 1HZ LYS 24 1HZ LYS 24 9.871 -19.882 -5.062 886 2HZ LYS 24 2HZ LYS 24 9.890 -18.558 -4.079 887 3HZ LYS 24 3HZ LYS 24 8.845 -19.793 -3.776 888 H HIS 25 H HIS 25 9.746 -14.599 -2.274 889 HA HIS 25 HA HIS 25 7.929 -12.262 -2.346 890 1HB HIS 25 1HB HIS 25 7.014 -12.948 -0.341 891 2HB HIS 25 2HB HIS 25 7.088 -14.295 -1.471 892 HD1 HIS 25 HD1 HIS 25 8.544 -13.196 1.915 893 HD2 HIS 25 HD2 HIS 25 8.161 -16.512 -0.655 894 HE1 HIS 25 HE1 HIS 25 9.194 -15.246 3.261 895 H LYS 26 H LYS 26 11.160 -12.336 -2.032 896 HA LYS 26 HA LYS 26 11.272 -10.332 0.174 897 1HB LYS 26 1HB LYS 26 13.148 -12.709 -0.028 898 2HB LYS 26 2HB LYS 26 13.079 -11.475 1.227 899 1HG LYS 26 1HG LYS 26 10.688 -12.249 1.671 900 2HG LYS 26 2HG LYS 26 11.092 -13.694 0.720 901 1HD LYS 26 1HD LYS 26 12.547 -12.675 3.196 902 2HD LYS 26 2HD LYS 26 11.389 -14.000 3.191 903 1HE LYS 26 1HE LYS 26 12.867 -15.314 1.677 904 2HE LYS 26 2HE LYS 26 14.055 -13.990 1.690 905 1HZ LYS 26 1HZ LYS 26 13.191 -15.522 4.031 906 2HZ LYS 26 2HZ LYS 26 14.637 -15.652 3.247 907 3HZ LYS 26 3HZ LYS 26 14.251 -14.259 4.039 908 H LEU 27 H LEU 27 12.611 -8.655 -0.159 909 HA LEU 27 HA LEU 27 14.525 -8.646 -2.459 910 1HB LEU 27 1HB LEU 27 13.395 -6.480 -0.648 911 2HB LEU 27 2HB LEU 27 14.557 -6.171 -1.930 912 HG LEU 27 HG LEU 27 11.788 -7.309 -2.458 913 1HD1 LEU 27 1HD1 LEU 27 11.607 -5.129 -1.287 914 2HD1 LEU 27 2HD1 LEU 27 12.790 -4.427 -2.415 915 3HD1 LEU 27 3HD1 LEU 27 11.191 -4.935 -3.003 916 1HD2 LEU 27 1HD2 LEU 27 13.720 -5.728 -4.234 917 2HD2 LEU 27 2HD2 LEU 27 13.522 -7.490 -4.298 918 3HD2 LEU 27 3HD2 LEU 27 12.166 -6.432 -4.719 919 H LYS 28 H LYS 28 16.756 -8.952 -1.927 920 HA LYS 28 HA LYS 28 17.792 -8.497 0.762 921 1HB LYS 28 1HB LYS 28 18.969 -8.784 -2.016 922 2HB LYS 28 2HB LYS 28 20.013 -8.347 -0.676 923 1HG LYS 28 1HG LYS 28 18.195 -10.712 -0.342 924 2HG LYS 28 2HG LYS 28 19.653 -10.819 -1.364 925 1HD LYS 28 1HD LYS 28 20.992 -9.896 0.612 926 2HD LYS 28 2HD LYS 28 19.552 -10.121 1.617 927 1HE LYS 28 1HE LYS 28 21.039 -12.293 0.052 928 2HE LYS 28 2HE LYS 28 21.188 -11.987 1.790 929 1HZ LYS 28 1HZ LYS 28 19.689 -13.774 1.312 930 2HZ LYS 28 2HZ LYS 28 18.912 -12.530 2.060 931 3HZ LYS 28 3HZ LYS 28 18.711 -12.778 0.438 932 H LYS 29 H LYS 29 19.627 -6.828 1.067 933 HA LYS 29 HA LYS 29 18.753 -4.167 0.739 934 1HB LYS 29 1HB LYS 29 21.032 -3.510 1.290 935 2HB LYS 29 2HB LYS 29 20.447 -4.765 2.369 936 1HG LYS 29 1HG LYS 29 21.723 -6.474 0.988 937 2HG LYS 29 2HG LYS 29 22.468 -5.126 0.117 938 1HD LYS 29 1HD LYS 29 22.567 -5.504 3.150 939 2HD LYS 29 2HD LYS 29 23.819 -6.057 2.028 940 1HE LYS 29 1HE LYS 29 24.220 -3.754 1.269 941 2HE LYS 29 2HE LYS 29 22.959 -3.144 2.361 942 1HZ LYS 29 1HZ LYS 29 25.398 -4.526 3.206 943 2HZ LYS 29 2HZ LYS 29 25.115 -2.907 3.309 944 3HZ LYS 29 3HZ LYS 29 24.209 -3.957 4.199 945 H SER 30 H SER 30 20.724 -6.244 -1.413 946 HA SER 30 HA SER 30 21.525 -4.248 -3.267 947 1HB SER 30 1HB SER 30 21.619 -6.459 -4.717 948 2HB SER 30 2HB SER 30 22.703 -6.280 -3.323 949 HG SER 30 HG SER 30 21.499 -8.300 -3.421 950 H GLU 31 H GLU 31 18.742 -6.639 -3.250 951 HA GLU 31 HA GLU 31 17.700 -5.561 -5.697 952 1HB GLU 31 1HB GLU 31 16.238 -7.101 -3.523 953 2HB GLU 31 2HB GLU 31 15.619 -6.743 -5.145 954 1HG GLU 31 1HG GLU 31 18.093 -8.341 -4.515 955 2HG GLU 31 2HG GLU 31 16.565 -9.031 -5.062 956 H LEU 32 H LEU 32 17.065 -4.777 -2.297 957 HA LEU 32 HA LEU 32 14.945 -3.012 -2.710 958 1HB LEU 32 1HB LEU 32 15.664 -3.904 -0.536 959 2HB LEU 32 2HB LEU 32 17.091 -2.852 -0.552 960 HG LEU 32 HG LEU 32 15.134 -2.149 0.881 961 1HD1 LEU 32 1HD1 LEU 32 15.274 0.210 0.424 962 2HD1 LEU 32 2HD1 LEU 32 16.870 -0.552 0.318 963 3HD1 LEU 32 3HD1 LEU 32 16.003 -0.070 -1.151 964 1HD2 LEU 32 1HD2 LEU 32 13.749 -1.393 -1.707 965 2HD2 LEU 32 2HD2 LEU 32 13.311 -2.752 -0.647 966 3HD2 LEU 32 3HD2 LEU 32 13.203 -1.088 -0.052 967 H LYS 33 H LYS 33 18.530 -2.233 -2.619 968 HA LYS 33 HA LYS 33 18.069 0.499 -3.036 969 1HB LYS 33 1HB LYS 33 20.236 0.856 -3.409 970 2HB LYS 33 2HB LYS 33 20.265 -0.666 -2.495 971 1HG LYS 33 1HG LYS 33 20.737 -1.905 -4.551 972 2HG LYS 33 2HG LYS 33 20.709 -0.418 -5.503 973 1HD LYS 33 1HD LYS 33 22.649 -1.096 -3.252 974 2HD LYS 33 2HD LYS 33 22.996 -1.136 -4.981 975 1HE LYS 33 1HE LYS 33 22.435 1.345 -3.288 976 2HE LYS 33 2HE LYS 33 23.944 0.887 -4.066 977 1HZ LYS 33 1HZ LYS 33 22.748 2.558 -5.262 978 2HZ LYS 33 2HZ LYS 33 22.892 1.191 -6.181 979 3HZ LYS 33 3HZ LYS 33 21.455 1.572 -5.459 980 H GLU 34 H GLU 34 18.593 -2.015 -5.552 981 HA GLU 34 HA GLU 34 18.432 -0.036 -7.620 982 1HB GLU 34 1HB GLU 34 18.284 -1.909 -9.228 983 2HB GLU 34 2HB GLU 34 19.587 -2.142 -8.052 984 1HG GLU 34 1HG GLU 34 18.128 -3.681 -6.770 985 2HG GLU 34 2HG GLU 34 16.854 -3.508 -7.979 986 H LEU 35 H LEU 35 15.999 -2.203 -6.151 987 HA LEU 35 HA LEU 35 13.730 -1.644 -7.696 988 1HB LEU 35 1HB LEU 35 13.819 -3.293 -5.929 989 2HB LEU 35 2HB LEU 35 14.143 -2.067 -4.721 990 HG LEU 35 HG LEU 35 12.010 -2.905 -4.385 991 1HD1 LEU 35 1HD1 LEU 35 12.272 -0.426 -4.100 992 2HD1 LEU 35 2HD1 LEU 35 11.377 -0.226 -5.635 993 3HD1 LEU 35 3HD1 LEU 35 10.623 -1.027 -4.257 994 1HD2 LEU 35 1HD2 LEU 35 10.182 -2.854 -6.015 995 2HD2 LEU 35 2HD2 LEU 35 11.317 -2.276 -7.261 996 3HD2 LEU 35 3HD2 LEU 35 11.532 -3.876 -6.496 997 H ILE 36 H ILE 36 14.968 0.205 -4.811 998 HA ILE 36 HA ILE 36 12.942 2.209 -5.082 999 HB ILE 36 HB ILE 36 15.647 2.416 -3.716 1000 1HG1 ILE 36 1HG1 ILE 36 14.143 0.589 -2.822 1001 2HG1 ILE 36 2HG1 ILE 36 14.633 1.832 -1.676 1002 1HG2 ILE 36 1HG2 ILE 36 13.171 4.181 -3.634 1003 2HG2 ILE 36 2HG2 ILE 36 14.398 4.198 -2.364 1004 3HG2 ILE 36 3HG2 ILE 36 14.836 4.651 -4.021 1005 1HD1 ILE 36 1HD1 ILE 36 12.305 1.124 -1.408 1006 2HD1 ILE 36 2HD1 ILE 36 12.432 2.850 -1.783 1007 3HD1 ILE 36 3HD1 ILE 36 11.915 1.702 -3.043 1008 H ASN 37 H ASN 37 16.400 2.258 -6.045 1009 HA ASN 37 HA ASN 37 16.486 4.868 -7.124 1010 1HB ASN 37 1HB ASN 37 17.995 2.314 -7.833 1011 2HB ASN 37 2HB ASN 37 18.253 3.828 -8.718 1012 1HD2 ASN 37 2HD2 ASN 37 18.480 2.411 -5.442 1013 2HD2 ASN 37 1HD2 ASN 37 19.787 3.475 -4.935 1014 H ASN 38 H ASN 38 15.751 1.790 -8.789 1015 HA ASN 38 HA ASN 38 15.408 2.992 -11.370 1016 1HB ASN 38 1HB ASN 38 16.032 0.613 -10.980 1017 2HB ASN 38 2HB ASN 38 14.420 0.316 -10.292 1018 1HD2 ASN 38 1HD2 ASN 38 16.277 0.543 -13.216 1019 2HD2 ASN 38 2HD2 ASN 38 14.926 0.310 -14.312 1020 H GLU 39 H GLU 39 13.039 1.706 -8.926 1021 HA GLU 39 HA GLU 39 10.872 2.465 -10.714 1022 1HB GLU 39 1HB GLU 39 10.799 1.366 -7.889 1023 2HB GLU 39 2HB GLU 39 9.442 1.509 -9.004 1024 1HG GLU 39 1HG GLU 39 11.922 -0.208 -9.492 1025 2HG GLU 39 2HG GLU 39 10.373 -0.802 -8.907 1026 H LEU 40 H LEU 40 12.111 3.750 -7.558 1027 HA LEU 40 HA LEU 40 9.946 5.817 -7.645 1028 1HB LEU 40 1HB LEU 40 11.778 4.798 -5.485 1029 2HB LEU 40 2HB LEU 40 11.033 6.390 -5.364 1030 HG LEU 40 HG LEU 40 8.809 5.521 -5.485 1031 1HD1 LEU 40 1HD1 LEU 40 8.389 3.053 -5.349 1032 2HD1 LEU 40 2HD1 LEU 40 8.979 3.582 -6.924 1033 3HD1 LEU 40 3HD1 LEU 40 10.089 2.772 -5.783 1034 1HD2 LEU 40 1HD2 LEU 40 9.972 5.621 -3.298 1035 2HD2 LEU 40 2HD2 LEU 40 8.790 4.307 -3.350 1036 3HD2 LEU 40 3HD2 LEU 40 10.529 3.954 -3.521 1037 H SER 41 H SER 41 11.642 5.963 -9.763 1038 HA SER 41 HA SER 41 14.123 7.207 -9.410 1039 1HB SER 41 1HB SER 41 13.263 7.843 -11.982 1040 2HB SER 41 2HB SER 41 14.065 6.346 -11.488 1041 HG SER 41 HG SER 41 12.276 5.275 -11.641 1042 H HIS 42 H HIS 42 10.893 8.589 -9.922 1043 HA HIS 42 HA HIS 42 11.988 11.362 -9.814 1044 1HB HIS 42 1HB HIS 42 10.294 10.740 -11.526 1045 2HB HIS 42 2HB HIS 42 9.142 10.371 -10.238 1046 HD1 HIS 42 HD1 HIS 42 10.424 13.250 -8.722 1047 HD2 HIS 42 HD2 HIS 42 8.337 12.558 -12.315 1048 HE1 HIS 42 HE1 HIS 42 9.316 15.463 -9.370 1049 H PHE 43 H PHE 43 9.954 9.033 -8.070 1050 HA PHE 43 HA PHE 43 8.851 10.789 -6.177 1051 1HB PHE 43 1HB PHE 43 9.203 7.824 -6.404 1052 2HB PHE 43 2HB PHE 43 8.823 8.467 -4.824 1053 HD1 PHE 43 HD1 PHE 43 7.575 9.614 -8.226 1054 HD2 PHE 43 HD2 PHE 43 6.619 7.959 -4.364 1055 HE1 PHE 43 HE1 PHE 43 5.171 9.684 -8.785 1056 HE2 PHE 43 HE2 PHE 43 4.207 8.085 -4.901 1057 HZ PHE 43 HZ PHE 43 3.479 8.920 -7.135 1058 H LEU 44 H LEU 44 11.855 8.799 -5.871 1059 HA LEU 44 HA LEU 44 12.599 10.410 -3.458 1060 1HB LEU 44 1HB LEU 44 12.792 7.459 -4.044 1061 2HB LEU 44 2HB LEU 44 14.095 8.234 -3.151 1062 HG LEU 44 HG LEU 44 12.626 9.011 -1.422 1063 1HD1 LEU 44 1HD1 LEU 44 10.537 9.481 -2.441 1064 2HD1 LEU 44 2HD1 LEU 44 10.364 7.818 -3.047 1065 3HD1 LEU 44 3HD1 LEU 44 10.246 8.171 -1.308 1066 1HD2 LEU 44 1HD2 LEU 44 12.015 6.822 -0.458 1067 2HD2 LEU 44 2HD2 LEU 44 12.181 6.068 -2.059 1068 3HD2 LEU 44 3HD2 LEU 44 13.600 6.760 -1.244 1069 H GLU 45 H GLU 45 14.916 10.771 -3.276 1070 HA GLU 45 HA GLU 45 16.233 11.277 -5.843 1071 1HB GLU 45 1HB GLU 45 17.346 11.336 -3.001 1072 2HB GLU 45 2HB GLU 45 18.144 11.959 -4.438 1073 1HG GLU 45 1HG GLU 45 15.538 13.033 -3.249 1074 2HG GLU 45 2HG GLU 45 17.128 13.771 -3.087 1075 H GLU 46 H GLU 46 18.122 10.101 -6.574 1076 HA GLU 46 HA GLU 46 17.959 7.302 -6.311 1077 1HB GLU 46 1HB GLU 46 19.819 7.218 -7.764 1078 2HB GLU 46 2HB GLU 46 18.913 8.656 -8.241 1079 1HG GLU 46 1HG GLU 46 20.500 9.998 -6.760 1080 2HG GLU 46 2HG GLU 46 21.371 8.483 -6.484 1081 H ILE 47 H ILE 47 19.286 5.853 -5.344 1082 HA ILE 47 HA ILE 47 20.452 6.785 -2.748 1083 HB ILE 47 HB ILE 47 19.009 4.140 -2.970 1084 1HG1 ILE 47 1HG1 ILE 47 17.923 6.920 -2.580 1085 2HG1 ILE 47 2HG1 ILE 47 17.315 5.642 -3.651 1086 1HG2 ILE 47 1HG2 ILE 47 18.981 4.377 -0.552 1087 2HG2 ILE 47 2HG2 ILE 47 20.634 4.711 -1.087 1088 3HG2 ILE 47 3HG2 ILE 47 19.564 6.050 -0.653 1089 1HD1 ILE 47 1HD1 ILE 47 16.622 4.354 -1.620 1090 2HD1 ILE 47 2HD1 ILE 47 17.087 5.755 -0.615 1091 3HD1 ILE 47 3HD1 ILE 47 15.809 5.930 -1.822 1092 H LYS 48 H LYS 48 22.467 6.833 -3.492 1093 HA LYS 48 HA LYS 48 23.860 4.551 -4.655 1094 1HB LYS 48 1HB LYS 48 24.289 7.056 -4.998 1095 2HB LYS 48 2HB LYS 48 24.923 7.076 -3.342 1096 1HG LYS 48 1HG LYS 48 26.531 5.167 -4.216 1097 2HG LYS 48 2HG LYS 48 26.036 5.732 -5.817 1098 1HD LYS 48 1HD LYS 48 27.508 7.241 -3.621 1099 2HD LYS 48 2HD LYS 48 28.035 6.918 -5.280 1100 1HE LYS 48 1HE LYS 48 26.089 8.417 -6.049 1101 2HE LYS 48 2HE LYS 48 25.856 8.854 -4.342 1102 1HZ LYS 48 1HZ LYS 48 28.099 9.661 -4.303 1103 2HZ LYS 48 2HZ LYS 48 27.221 10.425 -5.469 1104 3HZ LYS 48 3HZ LYS 48 28.314 9.268 -5.890 1105 H GLU 49 H GLU 49 23.536 6.165 -1.499 1106 HA GLU 49 HA GLU 49 25.758 4.926 -0.274 1107 1HB GLU 49 1HB GLU 49 23.365 6.337 0.964 1108 2HB GLU 49 2HB GLU 49 24.865 5.923 1.805 1109 1HG GLU 49 1HG GLU 49 26.168 7.292 0.191 1110 2HG GLU 49 2HG GLU 49 24.675 7.793 -0.610 1111 H GLN 50 H GLN 50 25.428 2.680 -0.706 1112 HA GLN 50 HA GLN 50 23.688 0.820 -0.162 1113 1HB GLN 50 1HB GLN 50 26.087 0.450 -0.693 1114 2HB GLN 50 2HB GLN 50 26.460 0.595 1.032 1115 1HG GLN 50 1HG GLN 50 24.835 -1.322 1.448 1116 2HG GLN 50 2HG GLN 50 24.631 -1.468 -0.304 1117 1HE2 GLN 50 2HE2 GLN 50 27.161 -1.483 2.296 1118 2HE2 GLN 50 1HE2 GLN 50 28.178 -2.658 1.468 1119 H GLU 51 H GLU 51 25.579 2.131 2.645 1120 HA GLU 51 HA GLU 51 24.238 0.537 4.551 1121 1HB GLU 51 1HB GLU 51 25.492 3.264 5.069 1122 2HB GLU 51 2HB GLU 51 25.202 1.966 6.234 1123 1HG GLU 51 1HG GLU 51 27.203 1.954 3.928 1124 2HG GLU 51 2HG GLU 51 27.536 1.909 5.657 1125 H VAL 52 H VAL 52 23.167 3.563 3.064 1126 HA VAL 52 HA VAL 52 21.065 3.933 5.056 1127 HB VAL 52 HB VAL 52 21.417 5.344 2.392 1128 1HG1 VAL 52 1HG1 VAL 52 19.130 5.539 3.184 1129 2HG1 VAL 52 2HG1 VAL 52 19.666 5.798 4.857 1130 3HG1 VAL 52 3HG1 VAL 52 19.949 7.037 3.635 1131 1HG2 VAL 52 1HG2 VAL 52 22.292 6.064 5.233 1132 2HG2 VAL 52 2HG2 VAL 52 23.367 5.747 3.856 1133 3HG2 VAL 52 3HG2 VAL 52 22.334 7.174 3.852 1134 H VAL 53 H VAL 53 21.439 2.336 1.858 1135 HA VAL 53 HA VAL 53 18.662 1.823 1.481 1136 HB VAL 53 HB VAL 53 19.128 0.540 -0.192 1137 1HG1 VAL 53 1HG1 VAL 53 20.348 2.438 -0.763 1138 2HG1 VAL 53 2HG1 VAL 53 21.806 1.886 0.067 1139 3HG1 VAL 53 3HG1 VAL 53 21.248 1.040 -1.356 1140 1HG2 VAL 53 1HG2 VAL 53 20.919 -1.133 -0.492 1141 2HG2 VAL 53 2HG2 VAL 53 21.443 -0.867 1.151 1142 3HG2 VAL 53 3HG2 VAL 53 19.807 -1.455 0.832 1143 H ASP 54 H ASP 54 21.297 0.111 3.156 1144 HA ASP 54 HA ASP 54 19.795 -2.016 4.218 1145 1HB ASP 54 1HB ASP 54 22.330 -1.699 4.232 1146 2HB ASP 54 2HB ASP 54 22.116 -0.704 5.679 1147 H LYS 55 H LYS 55 20.437 1.252 5.661 1148 HA LYS 55 HA LYS 55 18.968 0.818 8.014 1149 1HB LYS 55 1HB LYS 55 20.433 2.719 7.693 1150 2HB LYS 55 2HB LYS 55 19.340 3.433 6.501 1151 1HG LYS 55 1HG LYS 55 18.204 2.753 9.212 1152 2HG LYS 55 2HG LYS 55 19.334 4.113 9.104 1153 1HD LYS 55 1HD LYS 55 17.918 5.139 7.313 1154 2HD LYS 55 2HD LYS 55 16.713 3.868 7.548 1155 1HE LYS 55 1HE LYS 55 17.641 5.861 9.659 1156 2HE LYS 55 2HE LYS 55 16.109 5.899 8.773 1157 1HZ LYS 55 1HZ LYS 55 15.562 3.775 9.768 1158 2HZ LYS 55 2HZ LYS 55 16.963 3.800 10.636 1159 3HZ LYS 55 3HZ LYS 55 15.810 4.943 10.906 1160 H VAL 56 H VAL 56 17.716 2.191 4.865 1161 HA VAL 56 HA VAL 56 15.086 2.491 5.977 1162 HB VAL 56 HB VAL 56 14.196 2.739 3.773 1163 1HG1 VAL 56 1HG1 VAL 56 15.264 4.668 4.874 1164 2HG1 VAL 56 2HG1 VAL 56 16.809 4.288 4.070 1165 3HG1 VAL 56 3HG1 VAL 56 15.391 4.748 3.111 1166 1HG2 VAL 56 1HG2 VAL 56 15.544 1.103 2.504 1167 2HG2 VAL 56 2HG2 VAL 56 15.568 2.708 1.756 1168 3HG2 VAL 56 3HG2 VAL 56 16.956 2.162 2.710 1169 H MET 57 H MET 57 16.615 -0.255 4.164 1170 HA MET 57 HA MET 57 14.248 -1.779 4.124 1171 1HB MET 57 1HB MET 57 15.431 -3.363 3.176 1172 2HB MET 57 2HB MET 57 16.735 -2.194 3.112 1173 1HG MET 57 1HG MET 57 17.663 -3.189 5.229 1174 2HG MET 57 2HG MET 57 16.345 -4.370 5.222 1175 1HE MET 57 1HE MET 57 17.118 -6.546 2.201 1176 2HE MET 57 2HE MET 57 15.865 -5.895 3.272 1177 3HE MET 57 3HE MET 57 16.378 -4.972 1.838 1178 H GLU 58 H GLU 58 16.826 -1.667 6.602 1179 HA GLU 58 HA GLU 58 15.797 -3.501 8.450 1180 1HB GLU 58 1HB GLU 58 18.020 -2.523 8.607 1181 2HB GLU 58 2HB GLU 58 17.347 -0.912 8.895 1182 1HG GLU 58 1HG GLU 58 16.397 -1.631 11.037 1183 2HG GLU 58 2HG GLU 58 16.892 -3.298 10.715 1184 H THR 59 H THR 59 15.139 -0.028 8.098 1185 HA THR 59 HA THR 59 13.340 0.306 10.246 1186 HB THR 59 HB THR 59 13.475 1.749 7.567 1187 HG1 THR 59 HG1 THR 59 15.357 1.835 8.750 1188 1HG2 THR 59 1HG2 THR 59 12.427 3.642 8.745 1189 2HG2 THR 59 2HG2 THR 59 11.325 2.279 8.533 1190 3HG2 THR 59 3HG2 THR 59 12.076 2.574 10.125 1191 H LEU 60 H LEU 60 12.738 -1.085 6.996 1192 HA LEU 60 HA LEU 60 9.818 -1.240 7.541 1193 1HB LEU 60 1HB LEU 60 11.383 -2.376 5.213 1194 2HB LEU 60 2HB LEU 60 9.641 -2.149 5.331 1195 HG LEU 60 HG LEU 60 11.651 0.135 5.272 1196 1HD1 LEU 60 1HD1 LEU 60 10.815 0.464 2.973 1197 2HD1 LEU 60 2HD1 LEU 60 11.652 -1.077 3.177 1198 3HD1 LEU 60 3HD1 LEU 60 9.883 -1.053 3.109 1199 1HD2 LEU 60 1HD2 LEU 60 9.697 0.740 6.523 1200 2HD2 LEU 60 2HD2 LEU 60 9.617 1.506 4.938 1201 3HD2 LEU 60 3HD2 LEU 60 8.620 0.065 5.281 1202 H ASP 61 H ASP 61 12.649 -3.231 7.704 1203 HA ASP 61 HA ASP 61 11.517 -5.753 7.307 1204 1HB ASP 61 1HB ASP 61 13.884 -5.270 7.072 1205 2HB ASP 61 2HB ASP 61 14.016 -5.011 8.822 1206 H SER 62 H SER 62 9.505 -5.328 8.708 1207 HA SER 62 HA SER 62 9.661 -5.421 11.563 1208 1HB SER 62 1HB SER 62 7.666 -4.708 10.194 1209 2HB SER 62 2HB SER 62 7.377 -6.420 9.815 1210 HG SER 62 HG SER 62 7.407 -6.675 12.221 1211 H ASP 63 H ASP 63 9.790 -7.931 9.103 1212 HA ASP 63 HA ASP 63 9.340 -10.173 10.892 1213 1HB ASP 63 1HB ASP 63 10.564 -10.007 8.099 1214 2HB ASP 63 2HB ASP 63 10.141 -11.500 8.946 1215 H GLY 64 H GLY 64 12.052 -8.053 10.426 1216 1HA GLY 64 1HA GLY 64 14.250 -8.198 11.024 1217 2HA GLY 64 2HA GLY 64 13.731 -9.376 12.238 1218 H ASP 65 H ASP 65 13.756 -9.487 8.620 1219 HA ASP 65 HA ASP 65 15.027 -12.190 8.759 1220 1HB ASP 65 1HB ASP 65 12.672 -12.049 7.947 1221 2HB ASP 65 2HB ASP 65 13.193 -10.929 6.675 1222 H GLY 66 H GLY 66 15.887 -9.039 8.325 1223 1HA GLY 66 1HA GLY 66 17.670 -8.077 7.320 1224 2HA GLY 66 2HA GLY 66 18.108 -9.584 6.492 1225 H GLU 67 H GLU 67 16.277 -10.301 4.908 1226 HA GLU 67 HA GLU 67 16.040 -8.402 2.844 1227 1HB GLU 67 1HB GLU 67 14.388 -10.924 3.315 1228 2HB GLU 67 2HB GLU 67 14.446 -9.931 1.861 1229 1HG GLU 67 1HG GLU 67 15.830 -11.691 1.313 1230 2HG GLU 67 2HG GLU 67 16.943 -10.385 1.725 1231 H CYS 68 H CYS 68 14.168 -7.409 1.959 1232 HA CYS 68 HA CYS 68 12.061 -6.618 3.906 1233 1HB CYS 68 1HB CYS 68 13.252 -5.364 1.472 1234 2HB CYS 68 2HB CYS 68 11.490 -5.177 1.682 1235 HG CYS 68 HG CYS 68 13.720 -4.700 4.043 1236 H ASP 69 H ASP 69 10.391 -7.972 3.965 1237 HA ASP 69 HA ASP 69 9.681 -9.743 1.778 1238 1HB ASP 69 1HB ASP 69 8.596 -9.173 4.544 1239 2HB ASP 69 2HB ASP 69 7.580 -10.026 3.369 1240 H PHE 70 H PHE 70 7.672 -9.766 0.663 1241 HA PHE 70 HA PHE 70 6.905 -7.465 -0.582 1242 1HB PHE 70 1HB PHE 70 6.214 -9.736 -1.284 1243 2HB PHE 70 2HB PHE 70 5.027 -9.773 0.016 1244 HD1 PHE 70 HD1 PHE 70 2.792 -9.216 -0.634 1245 HD2 PHE 70 HD2 PHE 70 6.094 -7.486 -2.782 1246 HE1 PHE 70 HE1 PHE 70 1.227 -8.240 -2.262 1247 HE2 PHE 70 HE2 PHE 70 4.541 -6.607 -4.489 1248 HZ PHE 70 HZ PHE 70 2.100 -6.902 -4.222 1249 H GLN 71 H GLN 71 5.470 -8.629 2.473 1250 HA GLN 71 HA GLN 71 3.395 -6.676 2.627 1251 1HB GLN 71 1HB GLN 71 4.901 -8.029 4.919 1252 2HB GLN 71 2HB GLN 71 3.313 -7.254 5.008 1253 1HG GLN 71 1HG GLN 71 4.033 -9.781 3.449 1254 2HG GLN 71 2HG GLN 71 3.020 -9.666 4.884 1255 1HE2 GLN 71 1HE2 GLN 71 0.978 -8.256 4.658 1256 2HE2 GLN 71 2HE2 GLN 71 0.195 -8.291 3.068 1257 H GLU 72 H GLU 72 6.789 -6.552 3.603 1258 HA GLU 72 HA GLU 72 6.648 -4.078 5.139 1259 1HB GLU 72 1HB GLU 72 8.923 -5.704 3.892 1260 2HB GLU 72 2HB GLU 72 9.149 -4.328 4.969 1261 1HG GLU 72 1HG GLU 72 7.954 -5.303 6.698 1262 2HG GLU 72 2HG GLU 72 7.377 -6.683 5.839 1263 H PHE 73 H PHE 73 7.701 -5.085 2.016 1264 HA PHE 73 HA PHE 73 8.199 -2.568 0.741 1265 1HB PHE 73 1HB PHE 73 8.820 -4.465 -0.458 1266 2HB PHE 73 2HB PHE 73 7.258 -5.229 -0.297 1267 HD1 PHE 73 HD1 PHE 73 9.099 -2.555 -2.125 1268 HD2 PHE 73 HD2 PHE 73 5.475 -4.885 -1.863 1269 HE1 PHE 73 HE1 PHE 73 8.550 -1.988 -4.475 1270 HE2 PHE 73 HE2 PHE 73 4.924 -4.282 -4.198 1271 HZ PHE 73 HZ PHE 73 6.534 -2.960 -5.566 1272 H MET 74 H MET 74 5.039 -4.363 0.875 1273 HA MET 74 HA MET 74 3.509 -2.317 -0.313 1274 1HB MET 74 1HB MET 74 2.725 -4.506 1.639 1275 2HB MET 74 2HB MET 74 1.585 -3.350 0.973 1276 1HG MET 74 1HG MET 74 2.919 -4.265 -1.320 1277 2HG MET 74 2HG MET 74 2.795 -5.692 -0.298 1278 1HE MET 74 1HE MET 74 0.270 -2.576 -0.771 1279 2HE MET 74 2HE MET 74 0.910 -2.978 -2.381 1280 3HE MET 74 3HE MET 74 -0.793 -3.292 -1.997 1281 H ALA 75 H ALA 75 4.247 -2.836 3.128 1282 HA ALA 75 HA ALA 75 2.728 -0.674 4.154 1283 1HB ALA 75 1HB ALA 75 3.806 -2.385 5.572 1284 2HB ALA 75 2HB ALA 75 5.401 -1.700 5.199 1285 3HB ALA 75 3HB ALA 75 4.212 -0.737 6.092 1286 H PHE 76 H PHE 76 6.059 -0.718 2.848 1287 HA PHE 76 HA PHE 76 6.579 2.085 3.289 1288 1HB PHE 76 1HB PHE 76 8.392 0.647 3.025 1289 2HB PHE 76 2HB PHE 76 7.802 -0.033 1.526 1290 HD1 PHE 76 HD1 PHE 76 9.670 2.840 3.023 1291 HD2 PHE 76 HD2 PHE 76 8.091 1.037 -0.588 1292 HE1 PHE 76 HE1 PHE 76 10.931 4.445 1.654 1293 HE2 PHE 76 HE2 PHE 76 9.494 2.542 -1.932 1294 HZ PHE 76 HZ PHE 76 10.832 4.334 -0.827 1295 H VAL 77 H VAL 77 5.450 0.283 0.414 1296 HA VAL 77 HA VAL 77 5.024 2.444 -1.331 1297 HB VAL 77 HB VAL 77 3.614 -0.204 -0.951 1298 1HG1 VAL 77 1HG1 VAL 77 2.586 0.153 -3.212 1299 2HG1 VAL 77 2HG1 VAL 77 1.907 1.222 -1.988 1300 3HG1 VAL 77 3HG1 VAL 77 3.101 1.848 -3.150 1301 1HG2 VAL 77 1HG2 VAL 77 4.785 -0.814 -2.998 1302 2HG2 VAL 77 2HG2 VAL 77 5.406 0.841 -3.176 1303 3HG2 VAL 77 3HG2 VAL 77 5.968 -0.182 -1.837 1304 H ALA 78 H ALA 78 2.873 1.170 1.275 1305 HA ALA 78 HA ALA 78 0.654 2.756 0.668 1306 1HB ALA 78 1HB ALA 78 -0.086 2.354 2.949 1307 2HB ALA 78 2HB ALA 78 0.632 0.881 2.273 1308 3HB ALA 78 3HB ALA 78 1.548 1.867 3.438 1309 H MET 79 H MET 79 3.323 3.527 2.992 1310 HA MET 79 HA MET 79 2.210 6.137 3.536 1311 1HB MET 79 1HB MET 79 4.473 6.707 4.461 1312 2HB MET 79 2HB MET 79 3.544 5.423 5.240 1313 1HG MET 79 1HG MET 79 4.951 3.729 4.222 1314 2HG MET 79 2HG MET 79 5.912 4.974 3.381 1315 1HE MET 79 1HE MET 79 8.096 3.360 6.342 1316 2HE MET 79 2HE MET 79 6.737 2.542 5.533 1317 3HE MET 79 3HE MET 79 7.918 3.484 4.575 1318 H ILE 80 H ILE 80 4.700 5.036 1.217 1319 HA ILE 80 HA ILE 80 5.467 7.586 0.229 1320 HB ILE 80 HB ILE 80 5.209 4.843 -1.056 1321 1HG1 ILE 80 1HG1 ILE 80 6.880 5.324 0.884 1322 2HG1 ILE 80 2HG1 ILE 80 7.421 4.472 -0.563 1323 1HG2 ILE 80 1HG2 ILE 80 5.130 6.352 -2.919 1324 2HG2 ILE 80 2HG2 ILE 80 6.440 7.339 -2.234 1325 3HG2 ILE 80 3HG2 ILE 80 6.760 5.688 -2.833 1326 1HD1 ILE 80 1HD1 ILE 80 9.018 6.197 0.249 1327 2HD1 ILE 80 2HD1 ILE 80 8.519 6.451 -1.422 1328 3HD1 ILE 80 3HD1 ILE 80 7.824 7.458 -0.132 1329 H THR 81 H THR 81 2.921 5.380 -0.904 1330 HA THR 81 HA THR 81 1.928 7.026 -2.991 1331 HB THR 81 HB THR 81 0.636 4.780 -1.392 1332 HG1 THR 81 HG1 THR 81 2.428 4.070 -2.381 1333 1HG2 THR 81 1HG2 THR 81 -0.733 4.424 -3.479 1334 2HG2 THR 81 2HG2 THR 81 -1.130 5.890 -2.578 1335 3HG2 THR 81 3HG2 THR 81 -0.190 6.011 -4.060 1336 H THR 82 H THR 82 0.966 6.678 0.478 1337 HA THR 82 HA THR 82 -1.249 8.481 0.334 1338 HB THR 82 HB THR 82 0.535 7.815 2.701 1339 HG1 THR 82 HG1 THR 82 -0.438 5.988 1.841 1340 1HG2 THR 82 1HG2 THR 82 -2.288 8.976 2.538 1341 2HG2 THR 82 2HG2 THR 82 -1.487 8.414 4.017 1342 3HG2 THR 82 3HG2 THR 82 -0.846 9.819 3.148 1343 H ALA 83 H ALA 83 2.236 9.042 1.081 1344 HA ALA 83 HA ALA 83 2.074 11.815 1.550 1345 1HB ALA 83 1HB ALA 83 4.383 10.381 0.182 1346 2HB ALA 83 2HB ALA 83 4.426 11.856 1.163 1347 3HB ALA 83 3HB ALA 83 4.058 10.300 1.921 1348 H CYS 84 H CYS 84 2.608 10.018 -1.524 1349 HA CYS 84 HA CYS 84 2.664 12.308 -3.220 1350 1HB CYS 84 1HB CYS 84 3.445 10.183 -4.013 1351 2HB CYS 84 2HB CYS 84 1.827 9.453 -3.829 1352 HG CYS 84 HG CYS 84 2.726 12.037 -5.688 1353 H HIS 85 H HIS 85 -0.088 10.194 -2.296 1354 HA HIS 85 HA HIS 85 -2.141 11.390 -3.746 1355 1HB HIS 85 1HB HIS 85 -2.453 9.329 -2.529 1356 2HB HIS 85 2HB HIS 85 -2.175 10.124 -0.987 1357 HD1 HIS 85 HD1 HIS 85 -4.931 9.808 -3.633 1358 HD2 HIS 85 HD2 HIS 85 -4.143 11.448 0.164 1359 HE1 HIS 85 HE1 HIS 85 -7.162 10.612 -2.701 1360 H GLU 86 H GLU 86 -1.154 12.266 -0.358 1361 HA GLU 86 HA GLU 86 -2.912 14.544 -0.343 1362 1HB GLU 86 1HB GLU 86 -1.729 15.329 1.606 1363 2HB GLU 86 2HB GLU 86 -2.131 13.611 1.725 1364 1HG GLU 86 1HG GLU 86 0.201 13.042 1.125 1365 2HG GLU 86 2HG GLU 86 0.633 14.751 1.091 1366 H PHE 87 H PHE 87 0.558 14.210 -1.242 1367 HA PHE 87 HA PHE 87 1.003 16.975 -1.718 1368 1HB PHE 87 1HB PHE 87 2.734 15.198 -1.500 1369 2HB PHE 87 2HB PHE 87 2.339 14.678 -3.145 1370 HD1 PHE 87 HD1 PHE 87 3.327 17.710 -1.131 1371 HD2 PHE 87 HD2 PHE 87 3.440 15.781 -4.988 1372 HE1 PHE 87 HE1 PHE 87 4.888 19.446 -1.955 1373 HE2 PHE 87 HE2 PHE 87 4.996 17.522 -5.807 1374 HZ PHE 87 HZ PHE 87 5.758 19.336 -4.283 1375 H PHE 88 H PHE 88 -0.754 14.638 -3.631 1376 HA PHE 88 HA PHE 88 -0.656 15.808 -6.151 1377 1HB PHE 88 1HB PHE 88 -1.866 13.690 -5.317 1378 2HB PHE 88 2HB PHE 88 -3.215 14.757 -4.894 1379 HD1 PHE 88 HD1 PHE 88 -1.324 13.178 -7.625 1380 HD2 PHE 88 HD2 PHE 88 -4.485 15.960 -6.682 1381 HE1 PHE 88 HE1 PHE 88 -2.144 13.053 -9.969 1382 HE2 PHE 88 HE2 PHE 88 -5.284 15.850 -9.018 1383 HZ PHE 88 HZ PHE 88 -4.119 14.396 -10.671 1384 H GLU 89 H GLU 89 -2.371 16.975 -3.238 1385 HA GLU 89 HA GLU 89 -4.030 18.914 -4.549 1386 1HB GLU 89 1HB GLU 89 -2.755 18.999 -1.779 1387 2HB GLU 89 2HB GLU 89 -4.101 20.004 -2.341 1388 1HG GLU 89 1HG GLU 89 -4.145 16.965 -1.991 1389 2HG GLU 89 2HG GLU 89 -4.954 18.159 -0.978 1390 H HIS 90 H HIS 90 -0.597 18.819 -3.993 1391 HA HIS 90 HA HIS 90 -0.251 21.602 -5.021 1392 1HB HIS 90 1HB HIS 90 0.785 21.201 -2.838 1393 2HB HIS 90 2HB HIS 90 1.623 19.780 -3.468 1394 HD1 HIS 90 HD1 HIS 90 3.385 20.369 -5.539 1395 HD2 HIS 90 HD2 HIS 90 2.018 23.511 -3.122 1396 HE1 HIS 90 HE1 HIS 90 5.062 22.314 -5.843 1397 H GLU 91 H GLU 91 -1.092 20.440 -7.056 1398 HA GLU 91 HA GLU 91 0.341 18.414 -8.363 1399 1HB GLU 91 1HB GLU 91 -1.083 20.813 -9.622 1400 2HB GLU 91 2HB GLU 91 -0.530 19.366 -10.459 1401 1HG GLU 91 1HG GLU 91 -2.759 18.892 -10.169 1402 2HG GLU 91 2HG GLU 91 -2.024 18.007 -8.834 1403 1H LYS 62 H1 LYS 62 -32.750 -14.650 4.319 1404 2H LYS 62 H2 LYS 62 -31.128 -14.394 4.480 1405 3H LYS 62 H3 LYS 62 -32.208 -13.501 5.361 1406 HA LYS 62 HA LYS 62 -31.795 -16.395 5.565 1407 1HB LYS 62 1HB LYS 62 -31.047 -14.223 7.562 1408 2HB LYS 62 2HB LYS 62 -30.852 -15.980 7.769 1409 1HG LYS 62 1HG LYS 62 -29.308 -16.012 5.789 1410 2HG LYS 62 2HG LYS 62 -29.451 -14.253 5.699 1411 1HD LYS 62 1HD LYS 62 -27.451 -14.630 6.876 1412 2HD LYS 62 2HD LYS 62 -28.629 -14.138 8.102 1413 1HE LYS 62 1HE LYS 62 -28.944 -16.538 8.745 1414 2HE LYS 62 2HE LYS 62 -27.790 -17.016 7.488 1415 1HZ LYS 62 1HZ LYS 62 -26.798 -16.898 9.641 1416 2HZ LYS 62 2HZ LYS 62 -26.124 -15.762 8.658 1417 3HZ LYS 62 3HZ LYS 62 -27.214 -15.313 9.810 1418 H ARG 63 H ARG 63 -32.613 -15.480 8.564 1419 HA ARG 63 HA ARG 63 -35.150 -16.692 8.504 1420 1HB ARG 63 1HB ARG 63 -33.907 -14.791 10.536 1421 2HB ARG 63 2HB ARG 63 -35.395 -15.717 10.790 1422 1HG ARG 63 1HG ARG 63 -34.154 -17.839 10.443 1423 2HG ARG 63 2HG ARG 63 -32.643 -16.929 10.243 1424 1HD ARG 63 1HD ARG 63 -32.877 -16.012 12.522 1425 2HD ARG 63 2HD ARG 63 -34.412 -16.892 12.726 1426 HE ARG 63 HE ARG 63 -32.437 -18.768 11.990 1427 1HH1 ARG 63 2HH2 ARG 63 -33.198 -16.638 14.700 1428 2HH1 ARG 63 1HH2 ARG 63 -32.489 -17.676 15.907 1429 1HH2 ARG 63 2HH1 ARG 63 -31.520 -20.151 13.556 1430 2HH2 ARG 63 1HH1 ARG 63 -31.520 -19.716 15.242 1431 H LEU 64 H LEU 64 -36.848 -15.929 7.395 1432 HA LEU 64 HA LEU 64 -38.368 -14.556 6.429 1433 1HB LEU 64 1HB LEU 64 -37.955 -12.744 8.839 1434 2HB LEU 64 2HB LEU 64 -39.362 -12.798 7.776 1435 HG LEU 64 HG LEU 64 -38.461 -15.032 9.657 1436 1HD1 LEU 64 1HD1 LEU 64 -39.373 -13.053 10.809 1437 2HD1 LEU 64 2HD1 LEU 64 -40.826 -13.119 9.789 1438 3HD1 LEU 64 3HD1 LEU 64 -40.474 -14.436 10.929 1439 1HD2 LEU 64 1HD2 LEU 64 -39.594 -16.011 7.705 1440 2HD2 LEU 64 2HD2 LEU 64 -40.677 -16.046 9.098 1441 3HD2 LEU 64 3HD2 LEU 64 -40.906 -14.819 7.838 1442 H ARG 65 H ARG 65 -35.702 -14.317 5.574 1443 HA ARG 65 HA ARG 65 -34.510 -13.140 4.113 1444 1HB ARG 65 1HB ARG 65 -36.835 -12.251 3.402 1445 2HB ARG 65 2HB ARG 65 -36.374 -10.745 4.190 1446 1HG ARG 65 1HG ARG 65 -34.855 -12.148 1.929 1447 2HG ARG 65 2HG ARG 65 -35.993 -10.811 1.757 1448 1HD ARG 65 1HD ARG 65 -33.967 -9.678 1.694 1449 2HD ARG 65 2HD ARG 65 -34.488 -9.490 3.361 1450 HE ARG 65 HE ARG 65 -32.702 -10.809 4.082 1451 1HH1 ARG 65 2HH2 ARG 65 -33.057 -11.262 0.605 1452 2HH1 ARG 65 1HH2 ARG 65 -31.525 -12.071 0.417 1453 1HH2 ARG 65 2HH1 ARG 65 -30.668 -11.788 3.866 1454 2HH2 ARG 65 1HH1 ARG 65 -30.188 -12.424 2.313 1455 H ARG 66 H ARG 66 -35.831 -10.693 6.375 1456 HA ARG 66 HA ARG 66 -34.932 -9.363 7.930 1457 1HB ARG 66 1HB ARG 66 -34.341 -11.240 9.132 1458 2HB ARG 66 2HB ARG 66 -32.979 -11.664 8.092 1459 1HG ARG 66 1HG ARG 66 -31.704 -9.749 8.877 1460 2HG ARG 66 2HG ARG 66 -33.071 -9.193 9.867 1461 1HD ARG 66 1HD ARG 66 -32.888 -11.107 11.311 1462 2HD ARG 66 2HD ARG 66 -31.784 -11.937 10.184 1463 HE ARG 66 HE ARG 66 -30.544 -9.511 10.791 1464 1HH1 ARG 66 1HH2 ARG 66 -31.488 -12.389 12.610 1465 2HH1 ARG 66 2HH2 ARG 66 -30.132 -12.285 13.704 1466 1HH2 ARG 66 2HH1 ARG 66 -28.865 -9.370 12.065 1467 2HH2 ARG 66 1HH1 ARG 66 -28.574 -10.451 13.426 1468 H SER 67 H SER 67 -32.151 -10.313 5.864 1469 HA SER 67 HA SER 67 -30.682 -9.104 4.680 1470 1HB SER 67 1HB SER 67 -32.194 -6.549 5.359 1471 2HB SER 67 2HB SER 67 -30.975 -6.797 4.108 1472 HG SER 67 HG SER 67 -32.447 -8.499 3.306 1473 H ALA 68 H ALA 68 -31.493 -7.381 7.721 1474 HA ALA 68 HA ALA 68 -28.852 -6.335 8.134 1475 1HB ALA 68 1HB ALA 68 -31.152 -6.739 10.082 1476 2HB ALA 68 2HB ALA 68 -29.718 -5.725 10.350 1477 3HB ALA 68 3HB ALA 68 -30.867 -5.308 9.065 1478 H HIS 69 H HIS 69 -27.817 -8.537 7.613 1479 HA HIS 69 HA HIS 69 -27.054 -9.917 10.115 1480 1HB HIS 69 1HB HIS 69 -27.485 -12.121 9.033 1481 2HB HIS 69 2HB HIS 69 -28.964 -11.211 9.341 1482 HD1 HIS 69 HD1 HIS 69 -26.572 -11.426 6.253 1483 HD2 HIS 69 HD2 HIS 69 -30.633 -11.439 7.368 1484 HE1 HIS 69 HE1 HIS 69 -27.928 -11.625 4.098 1485 H ALA 70 H ALA 70 -25.125 -11.266 9.765 1486 HA ALA 70 HA ALA 70 -23.302 -10.187 7.721 1487 1HB ALA 70 1HB ALA 70 -21.623 -11.525 8.859 1488 2HB ALA 70 2HB ALA 70 -22.577 -10.647 10.056 1489 3HB ALA 70 3HB ALA 70 -22.875 -12.377 9.798 1490 H ARG 71 H ARG 71 -22.096 -13.056 7.620 1491 HA ARG 71 HA ARG 71 -22.231 -14.977 6.518 1492 1HB ARG 71 1HB ARG 71 -24.732 -14.906 7.339 1493 2HB ARG 71 2HB ARG 71 -25.108 -14.586 5.648 1494 1HG ARG 71 1HG ARG 71 -23.787 -17.029 6.868 1495 2HG ARG 71 2HG ARG 71 -25.361 -16.901 6.084 1496 1HD ARG 71 1HD ARG 71 -24.111 -17.912 4.399 1497 2HD ARG 71 2HD ARG 71 -24.019 -16.227 3.934 1498 HE ARG 71 HE ARG 71 -21.752 -16.216 4.393 1499 1HH1 ARG 71 2HH1 ARG 71 -23.192 -19.106 5.847 1500 2HH1 ARG 71 1HH1 ARG 71 -21.663 -19.820 6.283 1501 1HH2 ARG 71 2HH2 ARG 71 -19.755 -17.128 4.986 1502 2HH2 ARG 71 1HH2 ARG 71 -19.674 -18.666 5.815 1503 H LYS 72 H LYS 72 -24.359 -12.706 4.756 1504 HA LYS 72 HA LYS 72 -23.826 -13.601 2.244 1505 1HB LYS 72 1HB LYS 72 -24.675 -11.434 1.395 1506 2HB LYS 72 2HB LYS 72 -25.694 -12.238 2.591 1507 1HG LYS 72 1HG LYS 72 -25.034 -10.686 4.336 1508 2HG LYS 72 2HG LYS 72 -23.796 -9.963 3.297 1509 1HD LYS 72 1HD LYS 72 -25.521 -9.213 1.706 1510 2HD LYS 72 2HD LYS 72 -26.795 -9.937 2.690 1511 1HE LYS 72 1HE LYS 72 -24.925 -7.706 3.631 1512 2HE LYS 72 2HE LYS 72 -26.566 -7.475 2.996 1513 1HZ LYS 72 1HZ LYS 72 -27.411 -8.725 4.829 1514 2HZ LYS 72 2HZ LYS 72 -25.898 -9.012 5.416 1515 3HZ LYS 72 3HZ LYS 72 -26.491 -7.492 5.376 1516 H GLU 73 H GLU 73 -21.799 -11.240 3.944 1517 HA GLU 73 HA GLU 73 -20.232 -10.271 1.867 1518 1HB GLU 73 1HB GLU 73 -18.466 -9.951 3.440 1519 2HB GLU 73 2HB GLU 73 -20.007 -9.459 4.123 1520 1HG GLU 73 1HG GLU 73 -18.598 -12.111 4.753 1521 2HG GLU 73 2HG GLU 73 -18.464 -10.640 5.713 1522 H THR 74 H THR 74 -20.221 -13.501 3.249 1523 HA THR 74 HA THR 74 -17.784 -14.528 2.377 1524 HB THR 74 HB THR 74 -20.474 -15.954 2.434 1525 HG1 THR 74 HG1 THR 74 -20.067 -15.012 4.403 1526 1HG2 THR 74 1HG2 THR 74 -18.694 -17.295 1.334 1527 2HG2 THR 74 2HG2 THR 74 -17.616 -16.998 2.717 1528 3HG2 THR 74 3HG2 THR 74 -19.098 -17.957 2.918 1529 H GLU 75 H GLU 75 -20.801 -13.997 0.457 1530 HA GLU 75 HA GLU 75 -20.134 -15.579 -1.752 1531 1HB GLU 75 1HB GLU 75 -21.737 -12.993 -1.556 1532 2HB GLU 75 2HB GLU 75 -21.494 -13.860 -3.070 1533 1HG GLU 75 1HG GLU 75 -23.527 -14.685 -2.374 1534 2HG GLU 75 2HG GLU 75 -22.416 -15.965 -1.897 1535 H PHE 76 H PHE 76 -18.780 -12.452 -0.864 1536 HA PHE 76 HA PHE 76 -17.299 -12.336 -3.458 1537 1HB PHE 76 1HB PHE 76 -17.191 -10.057 -1.559 1538 2HB PHE 76 2HB PHE 76 -17.288 -10.078 -3.313 1539 HD1 PHE 76 HD1 PHE 76 -19.602 -10.741 -4.384 1540 HD2 PHE 76 HD2 PHE 76 -19.101 -9.818 -0.200 1541 HE1 PHE 76 HE1 PHE 76 -22.061 -10.650 -4.099 1542 HE2 PHE 76 HE2 PHE 76 -21.569 -9.897 0.088 1543 HZ PHE 76 HZ PHE 76 -23.029 -10.054 -1.869 1544 H LEU 77 H LEU 77 -16.883 -12.087 0.122 1545 HA LEU 77 HA LEU 77 -14.041 -11.852 0.041 1546 1HB LEU 77 1HB LEU 77 -15.804 -13.009 2.228 1547 2HB LEU 77 2HB LEU 77 -14.113 -12.525 2.409 1548 HG LEU 77 HG LEU 77 -16.444 -10.660 1.760 1549 1HD1 LEU 77 1HD1 LEU 77 -16.357 -11.502 4.093 1550 2HD1 LEU 77 2HD1 LEU 77 -14.692 -10.905 4.237 1551 3HD1 LEU 77 3HD1 LEU 77 -16.030 -9.761 3.992 1552 1HD2 LEU 77 1HD2 LEU 77 -13.483 -10.044 2.096 1553 2HD2 LEU 77 2HD2 LEU 77 -14.488 -9.755 0.654 1554 3HD2 LEU 77 3HD2 LEU 77 -14.784 -8.834 2.125 1555 H ARG 78 H ARG 78 -16.092 -14.682 -0.294 1556 HA ARG 78 HA ARG 78 -14.397 -16.832 0.039 1557 1HB ARG 78 1HB ARG 78 -16.659 -17.105 -0.657 1558 2HB ARG 78 2HB ARG 78 -16.402 -16.116 -2.109 1559 1HG ARG 78 1HG ARG 78 -15.047 -17.916 -3.113 1560 2HG ARG 78 2HG ARG 78 -15.166 -18.867 -1.617 1561 1HD ARG 78 1HD ARG 78 -16.818 -19.610 -3.355 1562 2HD ARG 78 2HD ARG 78 -17.585 -19.048 -1.877 1563 HE ARG 78 HE ARG 78 -18.423 -17.164 -2.912 1564 1HH1 ARG 78 2HH2 ARG 78 -16.374 -18.899 -5.238 1565 2HH1 ARG 78 1HH2 ARG 78 -16.772 -17.817 -6.551 1566 1HH2 ARG 78 1HH1 ARG 78 -18.695 -15.643 -4.562 1567 2HH2 ARG 78 2HH1 ARG 78 -18.199 -16.036 -6.196 1568 H LEU 79 H LEU 79 -14.316 -14.414 -2.663 1569 HA LEU 79 HA LEU 79 -12.425 -15.947 -4.226 1570 1HB LEU 79 1HB LEU 79 -13.235 -13.013 -4.207 1571 2HB LEU 79 2HB LEU 79 -11.977 -13.646 -5.254 1572 HG LEU 79 HG LEU 79 -14.134 -13.408 -6.388 1573 1HD1 LEU 79 1HD1 LEU 79 -14.100 -15.494 -7.585 1574 2HD1 LEU 79 2HD1 LEU 79 -12.438 -15.040 -7.174 1575 3HD1 LEU 79 3HD1 LEU 79 -13.267 -16.322 -6.261 1576 1HD2 LEU 79 1HD2 LEU 79 -15.987 -14.898 -6.011 1577 2HD2 LEU 79 2HD2 LEU 79 -15.153 -15.718 -4.690 1578 3HD2 LEU 79 3HD2 LEU 79 -15.658 -14.019 -4.517 1579 H LYS 80 H LYS 80 -12.100 -13.316 -1.857 1580 HA LYS 80 HA LYS 80 -9.280 -12.961 -2.045 1581 1HB LYS 80 1HB LYS 80 -11.159 -11.536 -0.956 1582 2HB LYS 80 2HB LYS 80 -10.957 -12.540 0.476 1583 1HG LYS 80 1HG LYS 80 -8.723 -10.948 -0.874 1584 2HG LYS 80 2HG LYS 80 -9.775 -10.318 0.401 1585 1HD LYS 80 1HD LYS 80 -8.988 -12.128 1.942 1586 2HD LYS 80 2HD LYS 80 -7.824 -12.634 0.697 1587 1HE LYS 80 1HE LYS 80 -6.911 -10.272 0.687 1588 2HE LYS 80 2HE LYS 80 -8.001 -9.874 2.024 1589 1HZ LYS 80 1HZ LYS 80 -6.890 -11.508 3.341 1590 2HZ LYS 80 2HZ LYS 80 -5.907 -11.927 2.085 1591 3HZ LYS 80 3HZ LYS 80 -5.797 -10.426 2.746 1592 H ARG 81 H ARG 81 -11.341 -14.883 0.128 1593 HA ARG 81 HA ARG 81 -9.398 -16.213 1.662 1594 1HB ARG 81 1HB ARG 81 -11.904 -16.154 1.938 1595 2HB ARG 81 2HB ARG 81 -12.051 -17.344 0.658 1596 1HG ARG 81 1HG ARG 81 -10.682 -17.681 3.360 1597 2HG ARG 81 2HG ARG 81 -12.253 -18.319 2.877 1598 1HD ARG 81 1HD ARG 81 -9.514 -19.263 1.984 1599 2HD ARG 81 2HD ARG 81 -10.777 -20.129 2.859 1600 HE ARG 81 HE ARG 81 -11.716 -19.284 0.257 1601 1HH1 ARG 81 2HH2 ARG 81 -9.770 -21.738 1.891 1602 2HH1 ARG 81 1HH2 ARG 81 -9.867 -22.883 0.583 1603 1HH2 ARG 81 2HH1 ARG 81 -11.678 -20.704 -1.545 1604 2HH2 ARG 81 1HH1 ARG 81 -11.098 -22.338 -1.337 1605 H THR 82 H THR 82 -10.912 -17.254 -1.451 1606 HA THR 82 HA THR 82 -9.393 -19.646 -1.645 1607 HB THR 82 HB THR 82 -10.727 -18.052 -3.871 1608 HG1 THR 82 HG1 THR 82 -12.226 -18.575 -2.349 1609 1HG2 THR 82 1HG2 THR 82 -9.229 -19.793 -4.783 1610 2HG2 THR 82 2HG2 THR 82 -9.931 -20.996 -3.677 1611 3HG2 THR 82 3HG2 THR 82 -10.922 -20.279 -4.964 1612 H ARG 83 H ARG 83 -8.682 -16.325 -2.873 1613 HA ARG 83 HA ARG 83 -6.347 -17.175 -4.266 1614 1HB ARG 83 1HB ARG 83 -7.307 -14.497 -3.225 1615 2HB ARG 83 2HB ARG 83 -5.711 -14.709 -3.946 1616 1HG ARG 83 1HG ARG 83 -6.850 -15.821 -5.953 1617 2HG ARG 83 2HG ARG 83 -8.391 -15.281 -5.273 1618 1HD ARG 83 1HD ARG 83 -7.540 -12.905 -5.412 1619 2HD ARG 83 2HD ARG 83 -6.005 -13.525 -6.014 1620 HE ARG 83 HE ARG 83 -6.847 -13.849 -8.092 1621 1HH1 ARG 83 1HH2 ARG 83 -9.541 -13.493 -5.868 1622 2HH1 ARG 83 2HH2 ARG 83 -10.699 -12.983 -7.072 1623 1HH2 ARG 83 2HH1 ARG 83 -8.369 -13.368 -9.746 1624 2HH2 ARG 83 1HH1 ARG 83 -10.020 -12.959 -9.356 1625 H LEU 84 H LEU 84 -6.825 -16.255 -0.805 1626 HA LEU 84 HA LEU 84 -3.989 -16.580 -0.177 1627 1HB LEU 84 1HB LEU 84 -6.465 -17.036 1.539 1628 2HB LEU 84 2HB LEU 84 -4.814 -17.033 2.140 1629 HG LEU 84 HG LEU 84 -6.073 -14.611 0.790 1630 1HD1 LEU 84 1HD1 LEU 84 -7.390 -15.222 2.773 1631 2HD1 LEU 84 2HD1 LEU 84 -5.908 -15.358 3.744 1632 3HD1 LEU 84 3HD1 LEU 84 -6.423 -13.782 3.120 1633 1HD2 LEU 84 1HD2 LEU 84 -4.254 -13.398 1.949 1634 2HD2 LEU 84 2HD2 LEU 84 -3.660 -14.918 2.645 1635 3HD2 LEU 84 3HD2 LEU 84 -3.574 -14.647 0.897 1636 H GLY 85 H GLY 85 -6.790 -18.711 -0.387 1637 1HA GLY 85 1HA GLY 85 -5.937 -21.045 0.756 1638 2HA GLY 85 2HA GLY 85 -7.107 -20.931 -0.565 1639 H LEU 86 H LEU 86 -4.825 -19.815 -2.363 1640 HA LEU 86 HA LEU 86 -3.842 -22.235 -3.499 1641 1HB LEU 86 1HB LEU 86 -2.991 -19.333 -3.559 1642 2HB LEU 86 2HB LEU 86 -1.873 -20.535 -4.156 1643 HG LEU 86 HG LEU 86 -3.077 -19.611 -5.988 1644 1HD1 LEU 86 1HD1 LEU 86 -2.426 -22.013 -6.087 1645 2HD1 LEU 86 2HD1 LEU 86 -4.101 -22.445 -5.677 1646 3HD1 LEU 86 3HD1 LEU 86 -3.753 -21.541 -7.158 1647 1HD2 LEU 86 1HD2 LEU 86 -5.641 -20.632 -4.696 1648 2HD2 LEU 86 2HD2 LEU 86 -5.127 -18.936 -4.849 1649 3HD2 LEU 86 3HD2 LEU 86 -5.502 -19.887 -6.298 1650 H GLU 87 H GLU 87 -2.717 -20.338 -0.752 1651 HA GLU 87 HA GLU 87 -0.950 -22.572 0.027 1652 1HB GLU 87 1HB GLU 87 0.729 -20.918 0.879 1653 2HB GLU 87 2HB GLU 87 0.623 -21.007 -0.877 1654 1HG GLU 87 1HG GLU 87 -0.742 -18.956 -0.955 1655 2HG GLU 87 2HG GLU 87 -0.706 -18.847 0.812 1656 1H LYS 62 H1 LYS 62 26.083 27.445 11.681 1657 2H LYS 62 H2 LYS 62 26.596 26.100 10.873 1658 3H LYS 62 H3 LYS 62 25.978 25.952 12.389 1659 HA LYS 62 HA LYS 62 28.434 27.364 11.683 1660 1HB LYS 62 1HB LYS 62 27.385 26.618 14.454 1661 2HB LYS 62 2HB LYS 62 28.867 27.491 14.065 1662 1HG LYS 62 1HG LYS 62 27.582 29.273 14.583 1663 2HG LYS 62 2HG LYS 62 27.211 29.187 12.859 1664 1HD LYS 62 1HD LYS 62 25.074 27.938 13.454 1665 2HD LYS 62 2HD LYS 62 25.557 27.990 15.151 1666 1HE LYS 62 1HE LYS 62 23.912 29.723 14.705 1667 2HE LYS 62 2HE LYS 62 25.463 30.467 15.124 1668 1HZ LYS 62 1HZ LYS 62 24.412 31.517 13.255 1669 2HZ LYS 62 2HZ LYS 62 25.838 30.838 12.792 1670 3HZ LYS 62 3HZ LYS 62 24.412 30.110 12.398 1671 H ARG 63 H ARG 63 30.379 26.247 12.735 1672 HA ARG 63 HA ARG 63 30.731 23.670 11.707 1673 1HB ARG 63 1HB ARG 63 32.191 25.039 14.008 1674 2HB ARG 63 2HB ARG 63 32.708 23.544 13.216 1675 1HG ARG 63 1HG ARG 63 32.834 24.745 11.027 1676 2HG ARG 63 2HG ARG 63 32.368 26.250 11.836 1677 1HD ARG 63 1HD ARG 63 34.765 26.213 11.552 1678 2HD ARG 63 2HD ARG 63 34.387 26.086 13.284 1679 HE ARG 63 HE ARG 63 34.635 23.468 12.181 1680 1HH1 ARG 63 1HH1 ARG 63 36.646 26.272 12.915 1681 2HH1 ARG 63 2HH1 ARG 63 38.102 25.348 13.169 1682 1HH2 ARG 63 2HH2 ARG 63 36.518 22.236 12.530 1683 2HH2 ARG 63 1HH2 ARG 63 38.026 23.007 12.938 1684 H LEU 64 H LEU 64 29.728 24.655 14.971 1685 HA LEU 64 HA LEU 64 29.685 22.144 16.251 1686 1HB LEU 64 1HB LEU 64 28.011 24.664 16.603 1687 2HB LEU 64 2HB LEU 64 27.811 23.232 17.613 1688 HG LEU 64 HG LEU 64 30.156 23.353 18.353 1689 1HD1 LEU 64 1HD1 LEU 64 31.389 25.528 18.028 1690 2HD1 LEU 64 2HD1 LEU 64 31.303 24.543 16.571 1691 3HD1 LEU 64 3HD1 LEU 64 30.227 25.955 16.756 1692 1HD2 LEU 64 1HD2 LEU 64 28.320 24.379 19.646 1693 2HD2 LEU 64 2HD2 LEU 64 28.544 25.906 18.765 1694 3HD2 LEU 64 3HD2 LEU 64 29.824 25.295 19.832 1695 H ARG 65 H ARG 65 27.465 23.479 13.842 1696 HA ARG 65 HA ARG 65 25.409 21.393 14.361 1697 1HB ARG 65 1HB ARG 65 25.440 23.576 12.249 1698 2HB ARG 65 2HB ARG 65 24.081 22.573 12.744 1699 1HG ARG 65 1HG ARG 65 25.433 24.729 14.445 1700 2HG ARG 65 2HG ARG 65 23.909 24.873 13.571 1701 1HD ARG 65 1HD ARG 65 23.371 24.501 15.873 1702 2HD ARG 65 2HD ARG 65 22.952 23.030 14.969 1703 HE ARG 65 HE ARG 65 25.641 22.990 16.049 1704 1HH1 ARG 65 1HH1 ARG 65 22.327 22.537 17.120 1705 2HH1 ARG 65 2HH1 ARG 65 22.679 21.126 18.082 1706 1HH2 ARG 65 1HH2 ARG 65 26.091 21.031 17.059 1707 2HH2 ARG 65 2HH2 ARG 65 24.923 20.325 18.152 1708 H ARG 66 H ARG 66 27.622 22.546 11.804 1709 HA ARG 66 HA ARG 66 27.191 20.629 9.839 1710 1HB ARG 66 1HB ARG 66 28.777 22.630 9.781 1711 2HB ARG 66 2HB ARG 66 29.923 21.657 10.706 1712 1HG ARG 66 1HG ARG 66 29.242 19.951 8.595 1713 2HG ARG 66 2HG ARG 66 29.173 21.541 7.840 1714 1HD ARG 66 1HD ARG 66 31.390 20.673 7.565 1715 2HD ARG 66 2HD ARG 66 31.505 21.971 8.774 1716 HE ARG 66 HE ARG 66 31.066 19.495 10.119 1717 1HH1 ARG 66 2HH1 ARG 66 33.579 21.076 8.211 1718 2HH1 ARG 66 1HH1 ARG 66 34.877 20.113 8.865 1719 1HH2 ARG 66 1HH2 ARG 66 32.718 18.214 10.958 1720 2HH2 ARG 66 2HH2 ARG 66 34.383 18.475 10.495 1721 H SER 67 H SER 67 29.449 20.460 12.581 1722 HA SER 67 HA SER 67 30.544 18.794 13.625 1723 1HB SER 67 1HB SER 67 28.982 17.071 14.556 1724 2HB SER 67 2HB SER 67 28.423 18.742 14.728 1725 HG SER 67 HG SER 67 27.030 18.466 13.028 1726 H ALA 68 H ALA 68 28.519 16.354 12.228 1727 HA ALA 68 HA ALA 68 30.768 14.680 11.501 1728 1HB ALA 68 1HB ALA 68 28.580 13.761 12.169 1729 2HB ALA 68 2HB ALA 68 27.824 14.476 10.726 1730 3HB ALA 68 3HB ALA 68 29.042 13.194 10.552 1731 H HIS 69 H HIS 69 28.704 16.901 9.786 1732 HA HIS 69 HA HIS 69 29.926 17.825 7.656 1733 1HB HIS 69 1HB HIS 69 30.636 15.733 6.684 1734 2HB HIS 69 2HB HIS 69 29.038 15.004 6.911 1735 HD1 HIS 69 HD1 HIS 69 28.503 18.359 5.454 1736 HD2 HIS 69 HD2 HIS 69 29.546 14.492 4.153 1737 HE1 HIS 69 HE1 HIS 69 28.043 18.279 2.944 1738 H ALA 70 H ALA 70 27.178 15.629 8.155 1739 HA ALA 70 HA ALA 70 25.137 17.408 8.711 1740 1HB ALA 70 1HB ALA 70 25.314 16.641 5.747 1741 2HB ALA 70 2HB ALA 70 23.843 17.247 6.532 1742 3HB ALA 70 3HB ALA 70 25.255 18.294 6.402 1743 H ARG 71 H ARG 71 23.073 16.138 8.689 1744 HA ARG 71 HA ARG 71 23.400 13.238 9.032 1745 1HB ARG 71 1HB ARG 71 21.191 15.283 9.331 1746 2HB ARG 71 2HB ARG 71 20.768 13.585 9.182 1747 1HG ARG 71 1HG ARG 71 20.977 14.362 11.537 1748 2HG ARG 71 2HG ARG 71 21.903 12.924 11.107 1749 1HD ARG 71 1HD ARG 71 23.165 14.391 12.591 1750 2HD ARG 71 2HD ARG 71 23.981 14.188 11.036 1751 HE ARG 71 HE ARG 71 22.295 16.535 11.049 1752 1HH1 ARG 71 2HH2 ARG 71 25.345 15.290 12.308 1753 2HH1 ARG 71 1HH2 ARG 71 26.093 16.852 12.506 1754 1HH2 ARG 71 1HH1 ARG 71 23.277 18.612 11.223 1755 2HH2 ARG 71 2HH1 ARG 71 24.899 18.775 11.845 1756 H LYS 72 H LYS 72 24.433 13.292 6.860 1757 HA LYS 72 HA LYS 72 23.467 13.950 4.463 1758 1HB LYS 72 1HB LYS 72 25.677 12.906 4.961 1759 2HB LYS 72 2HB LYS 72 24.895 11.345 5.155 1760 1HG LYS 72 1HG LYS 72 25.963 11.448 3.003 1761 2HG LYS 72 2HG LYS 72 24.225 11.319 2.790 1762 1HD LYS 72 1HD LYS 72 25.192 12.867 1.189 1763 2HD LYS 72 2HD LYS 72 24.095 13.748 2.251 1764 1HE LYS 72 1HE LYS 72 26.008 14.643 3.541 1765 2HE LYS 72 2HE LYS 72 27.132 13.596 2.650 1766 1HZ LYS 72 1HZ LYS 72 27.174 15.796 1.858 1767 2HZ LYS 72 2HZ LYS 72 26.588 14.808 0.674 1768 3HZ LYS 72 3HZ LYS 72 25.557 15.790 1.510 1769 H GLU 73 H GLU 73 22.752 10.833 6.016 1770 HA GLU 73 HA GLU 73 21.340 9.563 4.041 1771 1HB GLU 73 1HB GLU 73 20.408 8.158 5.753 1772 2HB GLU 73 2HB GLU 73 22.102 8.490 6.101 1773 1HG GLU 73 1HG GLU 73 19.701 9.821 7.459 1774 2HG GLU 73 2HG GLU 73 20.640 8.480 8.109 1775 H THR 74 H THR 74 20.098 12.297 5.936 1776 HA THR 74 HA THR 74 17.331 11.763 5.636 1777 HB THR 74 HB THR 74 17.078 14.192 5.881 1778 HG1 THR 74 HG1 THR 74 19.897 14.340 5.981 1779 1HG2 THR 74 1HG2 THR 74 18.163 14.411 8.113 1780 2HG2 THR 74 2HG2 THR 74 17.284 12.887 7.899 1781 3HG2 THR 74 3HG2 THR 74 19.050 12.902 7.808 1782 H GLU 75 H GLU 75 19.741 12.853 3.291 1783 HA GLU 75 HA GLU 75 18.277 14.460 1.652 1784 1HB GLU 75 1HB GLU 75 19.852 13.925 -0.114 1785 2HB GLU 75 2HB GLU 75 20.672 14.031 1.448 1786 1HG GLU 75 1HG GLU 75 20.512 11.447 1.548 1787 2HG GLU 75 2HG GLU 75 20.021 11.531 -0.151 1788 H PHE 76 H PHE 76 18.293 10.887 1.381 1789 HA PHE 76 HA PHE 76 16.589 10.866 -0.913 1790 1HB PHE 76 1HB PHE 76 16.670 8.559 1.004 1791 2HB PHE 76 2HB PHE 76 16.579 8.552 -0.750 1792 HD1 PHE 76 HD1 PHE 76 18.743 9.337 -2.069 1793 HD2 PHE 76 HD2 PHE 76 18.724 8.383 2.146 1794 HE1 PHE 76 HE1 PHE 76 21.203 9.157 -2.085 1795 HE2 PHE 76 HE2 PHE 76 21.199 8.133 2.075 1796 HZ PHE 76 HZ PHE 76 22.408 8.424 -0.030 1797 H LEU 77 H LEU 77 15.883 11.229 2.492 1798 HA LEU 77 HA LEU 77 13.069 10.303 2.177 1799 1HB LEU 77 1HB LEU 77 14.686 11.066 4.633 1800 2HB LEU 77 2HB LEU 77 13.036 10.432 4.633 1801 HG LEU 77 HG LEU 77 15.501 8.926 3.627 1802 1HD1 LEU 77 1HD1 LEU 77 13.858 8.598 6.171 1803 2HD1 LEU 77 2HD1 LEU 77 15.503 9.265 6.067 1804 3HD1 LEU 77 3HD1 LEU 77 15.210 7.567 5.656 1805 1HD2 LEU 77 1HD2 LEU 77 13.511 8.128 2.436 1806 2HD2 LEU 77 2HD2 LEU 77 13.948 6.950 3.673 1807 3HD2 LEU 77 3HD2 LEU 77 12.589 8.053 3.956 1808 H ARG 78 H ARG 78 14.992 13.211 2.683 1809 HA ARG 78 HA ARG 78 13.251 14.884 3.922 1810 1HB ARG 78 1HB ARG 78 15.464 15.486 3.449 1811 2HB ARG 78 2HB ARG 78 15.229 15.478 1.694 1812 1HG ARG 78 1HG ARG 78 13.995 17.473 1.704 1813 2HG ARG 78 2HG ARG 78 13.575 17.346 3.419 1814 1HD ARG 78 1HD ARG 78 15.291 19.113 2.776 1815 2HD ARG 78 2HD ARG 78 15.679 18.094 4.147 1816 HE ARG 78 HE ARG 78 16.903 18.085 1.438 1817 1HH1 ARG 78 1HH2 ARG 78 16.886 16.626 4.664 1818 2HH1 ARG 78 2HH2 ARG 78 18.472 15.932 4.542 1819 1HH2 ARG 78 2HH1 ARG 78 19.042 17.343 1.304 1820 2HH2 ARG 78 1HH1 ARG 78 19.750 16.432 2.612 1821 H LEU 79 H LEU 79 13.231 14.378 0.347 1822 HA LEU 79 HA LEU 79 10.978 16.066 -0.034 1823 1HB LEU 79 1HB LEU 79 10.765 15.257 -2.217 1824 2HB LEU 79 2HB LEU 79 12.458 15.554 -1.836 1825 HG LEU 79 HG LEU 79 11.108 12.820 -2.065 1826 1HD1 LEU 79 1HD1 LEU 79 11.377 14.000 -4.200 1827 2HD1 LEU 79 2HD1 LEU 79 13.073 14.350 -3.823 1828 3HD1 LEU 79 3HD1 LEU 79 12.555 12.682 -4.111 1829 1HD2 LEU 79 1HD2 LEU 79 12.911 12.554 -0.480 1830 2HD2 LEU 79 2HD2 LEU 79 13.505 11.987 -2.034 1831 3HD2 LEU 79 3HD2 LEU 79 14.002 13.582 -1.449 1832 H LYS 80 H LYS 80 11.098 12.578 0.750 1833 HA LYS 80 HA LYS 80 8.300 12.002 0.402 1834 1HB LYS 80 1HB LYS 80 10.015 10.290 0.626 1835 2HB LYS 80 2HB LYS 80 10.350 10.797 2.285 1836 1HG LYS 80 1HG LYS 80 8.046 10.195 2.967 1837 2HG LYS 80 2HG LYS 80 7.714 9.652 1.305 1838 1HD LYS 80 1HD LYS 80 9.607 8.077 1.445 1839 2HD LYS 80 2HD LYS 80 9.971 8.600 3.087 1840 1HE LYS 80 1HE LYS 80 7.295 7.352 2.295 1841 2HE LYS 80 2HE LYS 80 8.670 6.423 2.914 1842 1HZ LYS 80 1HZ LYS 80 7.308 8.592 4.335 1843 2HZ LYS 80 2HZ LYS 80 7.171 6.977 4.647 1844 3HZ LYS 80 3HZ LYS 80 8.606 7.745 4.893 1845 H ARG 81 H ARG 81 10.269 13.061 3.173 1846 HA ARG 81 HA ARG 81 8.232 13.400 5.097 1847 1HB ARG 81 1HB ARG 81 10.892 13.566 5.148 1848 2HB ARG 81 2HB ARG 81 10.589 15.293 5.008 1849 1HG ARG 81 1HG ARG 81 9.449 13.443 7.173 1850 2HG ARG 81 2HG ARG 81 10.938 14.377 7.307 1851 1HD ARG 81 1HD ARG 81 9.392 15.706 8.451 1852 2HD ARG 81 2HD ARG 81 9.559 16.484 6.886 1853 HE ARG 81 HE ARG 81 7.390 15.902 6.313 1854 1HH1 ARG 81 1HH2 ARG 81 8.245 14.102 9.226 1855 2HH1 ARG 81 2HH2 ARG 81 6.592 13.761 9.664 1856 1HH2 ARG 81 2HH1 ARG 81 5.268 15.547 6.893 1857 2HH2 ARG 81 1HH1 ARG 81 4.848 14.581 8.283 1858 H THR 82 H THR 82 9.537 15.697 2.654 1859 HA THR 82 HA THR 82 7.902 17.889 3.387 1860 HB THR 82 HB THR 82 8.951 17.247 0.600 1861 HG1 THR 82 HG1 THR 82 10.593 17.254 2.233 1862 1HG2 THR 82 1HG2 THR 82 7.332 19.112 0.614 1863 2HG2 THR 82 2HG2 THR 82 8.225 19.884 1.944 1864 3HG2 THR 82 3HG2 THR 82 8.983 19.703 0.350 1865 H ARG 83 H ARG 83 7.256 15.223 0.983 1866 HA ARG 83 HA ARG 83 4.696 16.235 0.227 1867 1HB ARG 83 1HB ARG 83 5.847 13.412 0.244 1868 2HB ARG 83 2HB ARG 83 4.316 13.879 -0.489 1869 1HG ARG 83 1HG ARG 83 5.690 15.579 -1.891 1870 2HG ARG 83 2HG ARG 83 7.108 14.693 -1.332 1871 1HD ARG 83 1HD ARG 83 5.860 12.552 -2.176 1872 2HD ARG 83 2HD ARG 83 4.786 13.686 -2.988 1873 HE ARG 83 HE ARG 83 6.453 14.318 -4.466 1874 1HH1 ARG 83 1HH1 ARG 83 7.869 12.150 -2.003 1875 2HH1 ARG 83 2HH1 ARG 83 9.235 11.741 -3.044 1876 1HH2 ARG 83 1HH2 ARG 83 8.367 13.821 -5.684 1877 2HH2 ARG 83 2HH2 ARG 83 9.537 12.699 -5.002 1878 H LEU 84 H LEU 84 5.689 13.999 2.884 1879 HA LEU 84 HA LEU 84 3.008 13.521 3.827 1880 1HB LEU 84 1HB LEU 84 5.701 13.494 5.237 1881 2HB LEU 84 2HB LEU 84 4.193 13.049 6.036 1882 HG LEU 84 HG LEU 84 5.229 11.633 3.551 1883 1HD1 LEU 84 1HD1 LEU 84 5.539 10.930 6.499 1884 2HD1 LEU 84 2HD1 LEU 84 5.926 9.853 5.144 1885 3HD1 LEU 84 3HD1 LEU 84 6.841 11.355 5.367 1886 1HD2 LEU 84 1HD2 LEU 84 3.101 10.907 5.630 1887 2HD2 LEU 84 2HD2 LEU 84 2.791 11.319 3.933 1888 3HD2 LEU 84 3HD2 LEU 84 3.662 9.837 4.333 1889 H GLY 85 H GLY 85 5.314 16.146 4.325 1890 1HA GLY 85 1HA GLY 85 3.865 17.504 6.410 1891 2HA GLY 85 2HA GLY 85 5.158 18.146 5.388 1892 H LEU 86 H LEU 86 2.815 17.011 3.195 1893 HA LEU 86 HA LEU 86 1.837 19.619 2.579 1894 1HB LEU 86 1HB LEU 86 1.889 17.646 1.046 1895 2HB LEU 86 2HB LEU 86 0.579 16.917 1.962 1896 HG LEU 86 HG LEU 86 -0.174 17.878 -0.098 1897 1HD1 LEU 86 1HD1 LEU 86 -1.706 17.905 1.889 1898 2HD1 LEU 86 2HD1 LEU 86 -1.369 19.652 2.026 1899 3HD1 LEU 86 3HD1 LEU 86 -2.105 19.003 0.561 1900 1HD2 LEU 86 1HD2 LEU 86 1.505 19.654 -0.367 1901 2HD2 LEU 86 2HD2 LEU 86 -0.153 20.213 -0.652 1902 3HD2 LEU 86 3HD2 LEU 86 0.664 20.624 0.868 1903 H GLU 87 H GLU 87 0.293 16.838 4.309 1904 HA GLU 87 HA GLU 87 -1.785 18.550 5.484 1905 1HB GLU 87 1HB GLU 87 -0.868 15.697 6.030 1906 2HB GLU 87 2HB GLU 87 -2.193 16.502 6.890 1907 1HG GLU 87 1HG GLU 87 -3.436 16.829 4.805 1908 2HG GLU 87 2HG GLU 87 -2.116 16.132 3.862 Start of MODEL 7 1 1H SER 1 1H SER 1 10.718 3.958 -13.081 2 2H SER 1 2H SER 1 9.725 3.682 -11.801 3 3H SER 1 3H SER 1 10.008 2.484 -12.914 4 HA SER 1 HA SER 1 8.582 5.012 -13.266 5 1HB SER 1 1HB SER 1 9.331 3.062 -15.473 6 2HB SER 1 2HB SER 1 8.421 4.589 -15.645 7 HG SER 1 HG SER 1 10.708 4.822 -16.053 8 H GLU 2 H GLU 2 8.484 1.467 -13.555 9 HA GLU 2 HA GLU 2 5.756 1.197 -14.262 10 1HB GLU 2 1HB GLU 2 7.528 -0.651 -12.599 11 2HB GLU 2 2HB GLU 2 5.939 -1.086 -13.261 12 1HG GLU 2 1HG GLU 2 6.830 -0.583 -15.559 13 2HG GLU 2 2HG GLU 2 8.436 -0.347 -14.836 14 H LEU 3 H LEU 3 7.274 1.069 -11.031 15 HA LEU 3 HA LEU 3 4.852 0.821 -9.562 16 1HB LEU 3 1HB LEU 3 7.422 2.145 -8.615 17 2HB LEU 3 2HB LEU 3 6.115 1.468 -7.623 18 HG LEU 3 HG LEU 3 8.067 -0.060 -9.406 19 1HD1 LEU 3 1HD1 LEU 3 8.863 0.724 -7.160 20 2HD1 LEU 3 2HD1 LEU 3 7.522 -0.162 -6.408 21 3HD1 LEU 3 3HD1 LEU 3 8.783 -1.042 -7.295 22 1HD2 LEU 3 1HD2 LEU 3 5.974 -1.217 -9.674 23 2HD2 LEU 3 2HD2 LEU 3 6.943 -2.114 -8.500 24 3HD2 LEU 3 3HD2 LEU 3 5.632 -1.082 -7.923 25 H GLU 4 H GLU 4 6.658 3.716 -10.647 26 HA GLU 4 HA GLU 4 5.039 5.631 -9.295 27 1HB GLU 4 1HB GLU 4 6.407 6.048 -11.971 28 2HB GLU 4 2HB GLU 4 5.990 7.273 -10.775 29 1HG GLU 4 1HG GLU 4 8.063 5.068 -10.333 30 2HG GLU 4 2HG GLU 4 8.429 6.677 -10.923 31 H LYS 5 H LYS 5 4.732 4.111 -12.498 32 HA LYS 5 HA LYS 5 2.527 5.649 -13.438 33 1HB LYS 5 1HB LYS 5 4.103 4.128 -14.726 34 2HB LYS 5 2HB LYS 5 3.133 2.762 -14.184 35 1HG LYS 5 1HG LYS 5 2.174 5.146 -15.843 36 2HG LYS 5 2HG LYS 5 2.583 3.536 -16.446 37 1HD LYS 5 1HD LYS 5 0.730 2.612 -14.928 38 2HD LYS 5 2HD LYS 5 0.221 4.303 -14.689 39 1HE LYS 5 1HE LYS 5 -0.034 4.580 -17.138 40 2HE LYS 5 2HE LYS 5 0.426 2.883 -17.376 41 1HZ LYS 5 1HZ LYS 5 -1.472 2.249 -16.080 42 2HZ LYS 5 2HZ LYS 5 -1.904 3.824 -15.860 43 3HZ LYS 5 3HZ LYS 5 -1.929 3.167 -17.371 44 H ALA 6 H ALA 6 2.705 2.410 -11.929 45 HA ALA 6 HA ALA 6 -0.022 1.838 -11.623 46 1HB ALA 6 1HB ALA 6 1.802 0.247 -11.206 47 2HB ALA 6 2HB ALA 6 2.352 1.188 -9.814 48 3HB ALA 6 3HB ALA 6 0.788 0.362 -9.750 49 H VAL 7 H VAL 7 2.171 3.537 -9.384 50 HA VAL 7 HA VAL 7 0.295 4.102 -7.359 51 HB VAL 7 HB VAL 7 2.979 5.223 -8.199 52 1HG1 VAL 7 1HG1 VAL 7 3.035 6.482 -6.066 53 2HG1 VAL 7 2HG1 VAL 7 1.991 7.192 -7.308 54 3HG1 VAL 7 3HG1 VAL 7 1.276 6.285 -5.952 55 1HG2 VAL 7 1HG2 VAL 7 3.672 4.172 -6.083 56 2HG2 VAL 7 2HG2 VAL 7 1.983 3.768 -5.709 57 3HG2 VAL 7 3HG2 VAL 7 2.793 2.982 -7.060 58 H VAL 8 H VAL 8 1.340 6.337 -10.085 59 HA VAL 8 HA VAL 8 -0.502 8.318 -9.171 60 HB VAL 8 HB VAL 8 -0.236 9.476 -11.246 61 1HG1 VAL 8 1HG1 VAL 8 1.451 9.713 -9.476 62 2HG1 VAL 8 2HG1 VAL 8 2.414 8.409 -10.196 63 3HG1 VAL 8 3HG1 VAL 8 2.157 9.918 -11.087 64 1HG2 VAL 8 1HG2 VAL 8 -0.175 7.642 -12.879 65 2HG2 VAL 8 2HG2 VAL 8 1.246 8.685 -13.034 66 3HG2 VAL 8 3HG2 VAL 8 1.389 7.118 -12.228 67 H ALA 9 H ALA 9 -0.936 5.575 -11.444 68 HA ALA 9 HA ALA 9 -3.593 6.251 -12.237 69 1HB ALA 9 1HB ALA 9 -2.384 4.397 -13.280 70 2HB ALA 9 2HB ALA 9 -2.405 3.489 -11.750 71 3HB ALA 9 3HB ALA 9 -3.929 3.848 -12.579 72 H LEU 10 H LEU 10 -2.440 4.308 -9.395 73 HA LEU 10 HA LEU 10 -5.006 3.832 -8.320 74 1HB LEU 10 1HB LEU 10 -2.755 2.755 -7.736 75 2HB LEU 10 2HB LEU 10 -2.408 4.197 -6.778 76 HG LEU 10 HG LEU 10 -4.525 3.712 -5.450 77 1HD1 LEU 10 1HD1 LEU 10 -5.745 2.228 -6.994 78 2HD1 LEU 10 2HD1 LEU 10 -4.361 1.112 -7.057 79 3HD1 LEU 10 3HD1 LEU 10 -5.301 1.291 -5.565 80 1HD2 LEU 10 1HD2 LEU 10 -3.445 1.897 -4.161 81 2HD2 LEU 10 2HD2 LEU 10 -2.330 1.602 -5.517 82 3HD2 LEU 10 3HD2 LEU 10 -2.283 3.150 -4.646 83 H ILE 11 H ILE 11 -2.721 6.518 -7.663 84 HA ILE 11 HA ILE 11 -4.309 7.897 -5.742 85 HB ILE 11 HB ILE 11 -2.321 8.912 -7.822 86 1HG1 ILE 11 1HG1 ILE 11 -2.132 8.509 -4.803 87 2HG1 ILE 11 2HG1 ILE 11 -1.420 7.466 -6.030 88 1HG2 ILE 11 1HG2 ILE 11 -2.309 11.059 -6.540 89 2HG2 ILE 11 2HG2 ILE 11 -3.849 10.773 -7.313 90 3HG2 ILE 11 3HG2 ILE 11 -3.673 10.440 -5.581 91 1HD1 ILE 11 1HD1 ILE 11 -0.600 10.329 -5.370 92 2HD1 ILE 11 2HD1 ILE 11 0.332 8.846 -5.199 93 3HD1 ILE 11 3HD1 ILE 11 -0.046 9.455 -6.819 94 H ASP 12 H ASP 12 -4.160 8.298 -9.330 95 HA ASP 12 HA ASP 12 -6.087 10.334 -9.455 96 1HB ASP 12 1HB ASP 12 -4.559 9.805 -11.292 97 2HB ASP 12 2HB ASP 12 -5.348 8.244 -11.546 98 H VAL 13 H VAL 13 -6.523 6.819 -9.926 99 HA VAL 13 HA VAL 13 -9.292 6.755 -10.448 100 HB VAL 13 HB VAL 13 -7.384 4.784 -9.082 101 1HG1 VAL 13 1HG1 VAL 13 -10.287 4.380 -9.894 102 2HG1 VAL 13 2HG1 VAL 13 -9.127 3.063 -9.603 103 3HG1 VAL 13 3HG1 VAL 13 -9.566 4.154 -8.284 104 1HG2 VAL 13 1HG2 VAL 13 -8.679 4.564 -11.817 105 2HG2 VAL 13 2HG2 VAL 13 -7.165 5.454 -11.606 106 3HG2 VAL 13 3HG2 VAL 13 -7.234 3.748 -11.153 107 H PHE 14 H PHE 14 -7.600 6.271 -7.314 108 HA PHE 14 HA PHE 14 -9.924 6.069 -5.718 109 1HB PHE 14 1HB PHE 14 -7.673 5.411 -4.997 110 2HB PHE 14 2HB PHE 14 -7.124 7.078 -5.074 111 HD1 PHE 14 HD1 PHE 14 -9.222 4.711 -3.137 112 HD2 PHE 14 HD2 PHE 14 -7.870 8.786 -3.474 113 HE1 PHE 14 HE1 PHE 14 -9.949 5.162 -0.799 114 HE2 PHE 14 HE2 PHE 14 -8.820 9.270 -1.266 115 HZ PHE 14 HZ PHE 14 -9.731 7.432 0.150 116 H HIS 15 H HIS 15 -7.865 8.880 -6.422 117 HA HIS 15 HA HIS 15 -9.119 10.853 -4.901 118 1HB HIS 15 1HB HIS 15 -6.922 11.022 -5.949 119 2HB HIS 15 2HB HIS 15 -7.645 11.013 -7.563 120 HD1 HIS 15 HD1 HIS 15 -6.580 13.272 -4.850 121 HD2 HIS 15 HD2 HIS 15 -8.951 13.289 -8.326 122 HE1 HIS 15 HE1 HIS 15 -6.746 15.733 -5.649 123 H GLN 16 H GLN 16 -9.711 9.925 -8.343 124 HA GLN 16 HA GLN 16 -11.664 11.890 -8.864 125 1HB GLN 16 1HB GLN 16 -10.508 10.487 -10.556 126 2HB GLN 16 2HB GLN 16 -11.440 9.077 -10.027 127 1HG GLN 16 1HG GLN 16 -13.558 10.331 -10.630 128 2HG GLN 16 2HG GLN 16 -12.549 11.637 -11.270 129 1HE2 GLN 16 1HE2 GLN 16 -10.603 10.464 -12.755 130 2HE2 GLN 16 2HE2 GLN 16 -11.313 9.433 -13.983 131 H TYR 17 H TYR 17 -12.123 8.461 -7.789 132 HA TYR 17 HA TYR 17 -14.974 8.649 -7.603 133 1HB TYR 17 1HB TYR 17 -12.919 6.756 -6.515 134 2HB TYR 17 2HB TYR 17 -14.569 6.699 -5.906 135 HD1 TYR 17 HD1 TYR 17 -12.658 6.591 -9.147 136 HD2 TYR 17 HD2 TYR 17 -16.340 5.691 -7.091 137 HE1 TYR 17 HE1 TYR 17 -13.365 5.182 -11.040 138 HE2 TYR 17 HE2 TYR 17 -17.060 4.314 -9.003 139 HH TYR 17 HH TYR 17 -14.999 3.838 -11.886 140 H SER 18 H SER 18 -12.439 9.061 -5.123 141 HA SER 18 HA SER 18 -14.147 9.815 -2.978 142 1HB SER 18 1HB SER 18 -11.775 9.118 -2.749 143 2HB SER 18 2HB SER 18 -11.277 10.636 -3.507 144 HG SER 18 HG SER 18 -12.912 10.473 -1.169 145 H GLY 19 H GLY 19 -13.213 11.647 -5.854 146 1HA GLY 19 1HA GLY 19 -13.699 14.277 -4.743 147 2HA GLY 19 2HA GLY 19 -13.585 13.805 -6.451 148 H ARG 20 H ARG 20 -15.652 11.634 -6.097 149 HA ARG 20 HA ARG 20 -17.920 13.300 -6.769 150 1HB ARG 20 1HB ARG 20 -18.008 10.345 -6.213 151 2HB ARG 20 2HB ARG 20 -19.058 11.300 -7.268 152 1HG ARG 20 1HG ARG 20 -16.850 11.765 -8.642 153 2HG ARG 20 2HG ARG 20 -16.178 10.459 -7.706 154 1HD ARG 20 1HD ARG 20 -18.575 10.205 -9.537 155 2HD ARG 20 2HD ARG 20 -16.955 9.505 -9.765 156 HE ARG 20 HE ARG 20 -17.998 8.662 -7.250 157 1HH1 ARG 20 2HH1 ARG 20 -18.451 7.954 -10.692 158 2HH1 ARG 20 1HH1 ARG 20 -19.273 6.440 -10.379 159 1HH2 ARG 20 1HH2 ARG 20 -19.194 6.912 -6.858 160 2HH2 ARG 20 2HH2 ARG 20 -19.913 5.943 -8.127 161 H GLU 21 H GLU 21 -17.127 11.082 -4.033 162 HA GLU 21 HA GLU 21 -18.595 12.870 -2.248 163 1HB GLU 21 1HB GLU 21 -19.184 9.889 -2.187 164 2HB GLU 21 2HB GLU 21 -19.790 11.115 -1.076 165 1HG GLU 21 1HG GLU 21 -21.025 12.193 -2.958 166 2HG GLU 21 2HG GLU 21 -20.491 10.891 -4.034 167 H GLY 22 H GLY 22 -17.687 12.910 -0.211 168 1HA GLY 22 1HA GLY 22 -16.582 11.845 1.598 169 2HA GLY 22 2HA GLY 22 -15.601 10.891 0.495 170 H ASP 23 H ASP 23 -14.823 12.969 -1.286 171 HA ASP 23 HA ASP 23 -13.979 15.016 -1.597 172 1HB ASP 23 1HB ASP 23 -14.978 16.003 0.438 173 2HB ASP 23 2HB ASP 23 -13.581 15.448 1.383 174 H LYS 24 H LYS 24 -12.656 13.444 -2.542 175 HA LYS 24 HA LYS 24 -10.651 13.112 -3.457 176 1HB LYS 24 1HB LYS 24 -9.545 15.142 -1.475 177 2HB LYS 24 2HB LYS 24 -8.749 14.540 -2.927 178 1HG LYS 24 1HG LYS 24 -11.332 16.175 -2.879 179 2HG LYS 24 2HG LYS 24 -9.710 16.741 -3.290 180 1HD LYS 24 1HD LYS 24 -9.693 14.897 -5.097 181 2HD LYS 24 2HD LYS 24 -11.429 14.749 -4.836 182 1HE LYS 24 1HE LYS 24 -11.771 17.097 -5.456 183 2HE LYS 24 2HE LYS 24 -10.017 17.358 -5.559 184 1HZ LYS 24 1HZ LYS 24 -11.536 15.523 -7.262 185 2HZ LYS 24 2HZ LYS 24 -10.959 17.006 -7.702 186 3HZ LYS 24 3HZ LYS 24 -9.907 15.792 -7.321 187 H HIS 25 H HIS 25 -10.182 13.150 0.103 188 HA HIS 25 HA HIS 25 -8.067 11.095 -0.287 189 1HB HIS 25 1HB HIS 25 -7.934 13.369 1.101 190 2HB HIS 25 2HB HIS 25 -8.449 12.288 2.395 191 HD1 HIS 25 HD1 HIS 25 -5.489 13.104 0.149 192 HD2 HIS 25 HD2 HIS 25 -6.688 10.096 2.827 193 HE1 HIS 25 HE1 HIS 25 -3.454 11.649 0.569 194 H LYS 26 H LYS 26 -11.348 10.873 0.305 195 HA LYS 26 HA LYS 26 -11.037 8.361 1.771 196 1HB LYS 26 1HB LYS 26 -12.737 9.029 3.508 197 2HB LYS 26 2HB LYS 26 -11.114 9.710 3.655 198 1HG LYS 26 1HG LYS 26 -11.974 11.835 2.532 199 2HG LYS 26 2HG LYS 26 -13.596 11.157 2.708 200 1HD LYS 26 1HD LYS 26 -13.082 10.904 5.212 201 2HD LYS 26 2HD LYS 26 -11.557 11.741 4.918 202 1HE LYS 26 1HE LYS 26 -14.365 12.867 4.501 203 2HE LYS 26 2HE LYS 26 -13.224 13.300 5.783 204 1HZ LYS 26 1HZ LYS 26 -13.163 14.921 4.102 205 2HZ LYS 26 2HZ LYS 26 -11.745 14.084 3.985 206 3HZ LYS 26 3HZ LYS 26 -12.976 13.806 2.910 207 H LEU 27 H LEU 27 -12.508 6.838 1.211 208 HA LEU 27 HA LEU 27 -14.553 7.652 -0.832 209 1HB LEU 27 1HB LEU 27 -13.230 4.993 -0.178 210 2HB LEU 27 2HB LEU 27 -14.623 5.141 -1.250 211 HG LEU 27 HG LEU 27 -12.001 6.559 -1.780 212 1HD1 LEU 27 1HD1 LEU 27 -11.723 4.056 -1.797 213 2HD1 LEU 27 2HD1 LEU 27 -13.100 3.925 -2.902 214 3HD1 LEU 27 3HD1 LEU 27 -11.618 4.724 -3.441 215 1HD2 LEU 27 1HD2 LEU 27 -14.294 5.868 -3.652 216 2HD2 LEU 27 2HD2 LEU 27 -14.038 7.481 -2.956 217 3HD2 LEU 27 3HD2 LEU 27 -12.825 6.785 -4.041 218 H LYS 28 H LYS 28 -16.663 7.583 -0.288 219 HA LYS 28 HA LYS 28 -17.563 6.415 2.252 220 1HB LYS 28 1HB LYS 28 -19.219 7.405 -0.098 221 2HB LYS 28 2HB LYS 28 -19.761 7.094 1.551 222 1HG LYS 28 1HG LYS 28 -17.689 8.919 1.938 223 2HG LYS 28 2HG LYS 28 -18.375 9.409 0.373 224 1HD LYS 28 1HD LYS 28 -20.651 9.437 1.415 225 2HD LYS 28 2HD LYS 28 -19.951 8.925 2.966 226 1HE LYS 28 1HE LYS 28 -19.243 11.535 1.551 227 2HE LYS 28 2HE LYS 28 -20.478 11.377 2.812 228 1HZ LYS 28 1HZ LYS 28 -18.417 12.098 3.716 229 2HZ LYS 28 2HZ LYS 28 -18.810 10.616 4.313 230 3HZ LYS 28 3HZ LYS 28 -17.634 10.757 3.168 231 H LYS 29 H LYS 29 -19.434 4.829 2.178 232 HA LYS 29 HA LYS 29 -18.730 2.475 0.850 233 1HB LYS 29 1HB LYS 29 -20.673 1.494 1.681 234 2HB LYS 29 2HB LYS 29 -20.070 2.569 2.904 235 1HG LYS 29 1HG LYS 29 -22.398 3.145 1.001 236 2HG LYS 29 2HG LYS 29 -22.583 2.457 2.600 237 1HD LYS 29 1HD LYS 29 -21.390 5.238 2.208 238 2HD LYS 29 2HD LYS 29 -23.103 4.916 2.292 239 1HE LYS 29 1HE LYS 29 -22.342 5.611 4.460 240 2HE LYS 29 2HE LYS 29 -22.944 3.952 4.525 241 1HZ LYS 29 1HZ LYS 29 -20.910 4.336 5.759 242 2HZ LYS 29 2HZ LYS 29 -20.737 3.168 4.628 243 3HZ LYS 29 3HZ LYS 29 -20.097 4.670 4.368 244 H SER 30 H SER 30 -20.981 4.968 -0.280 245 HA SER 30 HA SER 30 -21.999 3.676 -2.571 246 1HB SER 30 1HB SER 30 -21.958 6.248 -3.286 247 2HB SER 30 2HB SER 30 -23.017 5.696 -1.975 248 HG SER 30 HG SER 30 -21.562 7.589 -1.545 249 H GLU 31 H GLU 31 -19.081 5.756 -2.132 250 HA GLU 31 HA GLU 31 -18.337 5.488 -4.910 251 1HB GLU 31 1HB GLU 31 -16.499 6.286 -2.612 252 2HB GLU 31 2HB GLU 31 -16.378 6.711 -4.332 253 1HG GLU 31 1HG GLU 31 -18.385 7.716 -2.294 254 2HG GLU 31 2HG GLU 31 -17.231 8.659 -3.243 255 H LEU 32 H LEU 32 -17.168 3.943 -1.947 256 HA LEU 32 HA LEU 32 -15.063 2.475 -3.053 257 1HB LEU 32 1HB LEU 32 -15.415 2.988 -0.685 258 2HB LEU 32 2HB LEU 32 -16.816 1.907 -0.628 259 HG LEU 32 HG LEU 32 -14.577 1.175 0.357 260 1HD1 LEU 32 1HD1 LEU 32 -14.934 -1.158 -0.117 261 2HD1 LEU 32 2HD1 LEU 32 -16.499 -0.353 0.027 262 3HD1 LEU 32 3HD1 LEU 32 -15.874 -0.773 -1.575 263 1HD2 LEU 32 1HD2 LEU 32 -13.824 0.565 -2.511 264 2HD2 LEU 32 2HD2 LEU 32 -13.118 1.834 -1.489 265 3HD2 LEU 32 3HD2 LEU 32 -12.928 0.130 -1.046 266 H LYS 33 H LYS 33 -18.466 1.346 -2.358 267 HA LYS 33 HA LYS 33 -18.039 -1.276 -3.428 268 1HB LYS 33 1HB LYS 33 -20.379 -1.536 -3.426 269 2HB LYS 33 2HB LYS 33 -19.840 -0.559 -2.060 270 1HG LYS 33 1HG LYS 33 -21.678 0.619 -2.470 271 2HG LYS 33 2HG LYS 33 -20.578 1.483 -3.503 272 1HD LYS 33 1HD LYS 33 -22.727 1.142 -4.571 273 2HD LYS 33 2HD LYS 33 -21.474 0.324 -5.496 274 1HE LYS 33 1HE LYS 33 -23.621 -0.953 -5.273 275 2HE LYS 33 2HE LYS 33 -22.199 -1.835 -4.736 276 1HZ LYS 33 1HZ LYS 33 -24.037 -2.066 -3.216 277 2HZ LYS 33 2HZ LYS 33 -22.776 -1.300 -2.483 278 3HZ LYS 33 3HZ LYS 33 -24.091 -0.435 -2.977 279 H GLU 34 H GLU 34 -19.150 1.746 -5.019 280 HA GLU 34 HA GLU 34 -19.699 0.464 -7.512 281 1HB GLU 34 1HB GLU 34 -20.419 2.801 -7.058 282 2HB GLU 34 2HB GLU 34 -18.711 3.326 -7.111 283 1HG GLU 34 1HG GLU 34 -18.453 2.633 -9.376 284 2HG GLU 34 2HG GLU 34 -20.081 1.921 -9.437 285 H LEU 35 H LEU 35 -16.789 2.220 -6.388 286 HA LEU 35 HA LEU 35 -15.096 1.851 -8.562 287 1HB LEU 35 1HB LEU 35 -14.694 3.285 -6.726 288 2HB LEU 35 2HB LEU 35 -14.644 1.971 -5.561 289 HG LEU 35 HG LEU 35 -12.454 2.969 -6.023 290 1HD1 LEU 35 1HD1 LEU 35 -12.602 0.591 -5.276 291 2HD1 LEU 35 2HD1 LEU 35 -12.386 0.082 -6.969 292 3HD1 LEU 35 3HD1 LEU 35 -11.133 1.010 -6.174 293 1HD2 LEU 35 1HD2 LEU 35 -12.684 3.563 -8.363 294 2HD2 LEU 35 2HD2 LEU 35 -11.256 2.547 -8.103 295 3HD2 LEU 35 3HD2 LEU 35 -12.709 1.846 -8.841 296 H ILE 36 H ILE 36 -15.521 -0.333 -5.719 297 HA ILE 36 HA ILE 36 -13.749 -2.340 -6.678 298 HB ILE 36 HB ILE 36 -15.991 -2.335 -4.647 299 1HG1 ILE 36 1HG1 ILE 36 -12.930 -2.492 -4.555 300 2HG1 ILE 36 2HG1 ILE 36 -13.943 -1.128 -4.076 301 1HG2 ILE 36 1HG2 ILE 36 -14.168 -4.682 -5.276 302 2HG2 ILE 36 2HG2 ILE 36 -15.314 -4.561 -3.940 303 3HG2 ILE 36 3HG2 ILE 36 -15.910 -4.619 -5.599 304 1HD1 ILE 36 1HD1 ILE 36 -13.266 -2.188 -2.062 305 2HD1 ILE 36 2HD1 ILE 36 -14.951 -2.705 -2.300 306 3HD1 ILE 36 3HD1 ILE 36 -13.612 -3.805 -2.680 307 H ASN 37 H ASN 37 -17.356 -2.249 -6.935 308 HA ASN 37 HA ASN 37 -17.641 -4.636 -8.436 309 1HB ASN 37 1HB ASN 37 -19.280 -2.064 -8.442 310 2HB ASN 37 2HB ASN 37 -19.690 -3.474 -9.434 311 1HD2 ASN 37 2HD2 ASN 37 -19.615 -2.234 -6.173 312 2HD2 ASN 37 1HD2 ASN 37 -20.636 -3.487 -5.476 313 H ASN 38 H ASN 38 -17.009 -1.306 -9.535 314 HA ASN 38 HA ASN 38 -17.257 -1.845 -12.338 315 1HB ASN 38 1HB ASN 38 -16.060 0.405 -10.630 316 2HB ASN 38 2HB ASN 38 -15.836 0.365 -12.396 317 1HD2 ASN 38 1HD2 ASN 38 -16.959 2.581 -11.597 318 2HD2 ASN 38 2HD2 ASN 38 -18.684 2.550 -11.894 319 H GLU 39 H GLU 39 -14.348 -1.291 -10.287 320 HA GLU 39 HA GLU 39 -12.681 -2.150 -12.573 321 1HB GLU 39 1HB GLU 39 -12.094 -0.670 -9.997 322 2HB GLU 39 2HB GLU 39 -10.846 -1.265 -11.098 323 1HG GLU 39 1HG GLU 39 -12.148 0.042 -12.962 324 2HG GLU 39 2HG GLU 39 -12.972 0.839 -11.620 325 H LEU 40 H LEU 40 -13.299 -3.189 -9.178 326 HA LEU 40 HA LEU 40 -11.097 -5.127 -9.400 327 1HB LEU 40 1HB LEU 40 -11.693 -3.784 -7.270 328 2HB LEU 40 2HB LEU 40 -13.051 -4.900 -7.125 329 HG LEU 40 HG LEU 40 -11.439 -6.772 -6.906 330 1HD1 LEU 40 1HD1 LEU 40 -9.298 -4.595 -6.974 331 2HD1 LEU 40 2HD1 LEU 40 -9.045 -6.289 -6.533 332 3HD1 LEU 40 3HD1 LEU 40 -9.474 -5.882 -8.193 333 1HD2 LEU 40 1HD2 LEU 40 -12.194 -5.626 -4.884 334 2HD2 LEU 40 2HD2 LEU 40 -10.479 -6.016 -4.692 335 3HD2 LEU 40 3HD2 LEU 40 -10.966 -4.364 -5.103 336 H SER 41 H SER 41 -14.018 -5.016 -10.770 337 HA SER 41 HA SER 41 -15.479 -7.321 -10.529 338 1HB SER 41 1HB SER 41 -15.439 -7.084 -13.150 339 2HB SER 41 2HB SER 41 -16.042 -5.725 -12.213 340 HG SER 41 HG SER 41 -14.531 -4.585 -13.127 341 H HIS 42 H HIS 42 -12.303 -6.840 -11.927 342 HA HIS 42 HA HIS 42 -11.952 -9.340 -13.222 343 1HB HIS 42 1HB HIS 42 -9.978 -7.313 -12.108 344 2HB HIS 42 2HB HIS 42 -9.543 -8.662 -13.165 345 HD1 HIS 42 HD1 HIS 42 -12.571 -6.224 -13.791 346 HD2 HIS 42 HD2 HIS 42 -8.814 -7.414 -15.320 347 HE1 HIS 42 HE1 HIS 42 -12.320 -5.136 -16.063 348 H PHE 43 H PHE 43 -11.551 -8.408 -9.832 349 HA PHE 43 HA PHE 43 -10.151 -10.977 -9.250 350 1HB PHE 43 1HB PHE 43 -10.010 -8.260 -7.954 351 2HB PHE 43 2HB PHE 43 -9.639 -9.717 -7.056 352 HD1 PHE 43 HD1 PHE 43 -8.529 -9.318 -10.634 353 HD2 PHE 43 HD2 PHE 43 -7.438 -9.183 -6.460 354 HE1 PHE 43 HE1 PHE 43 -6.162 -9.052 -11.247 355 HE2 PHE 43 HE2 PHE 43 -5.086 -8.730 -7.083 356 HZ PHE 43 HZ PHE 43 -4.450 -8.643 -9.500 357 H LEU 44 H LEU 44 -12.885 -8.882 -8.226 358 HA LEU 44 HA LEU 44 -13.711 -10.957 -6.230 359 1HB LEU 44 1HB LEU 44 -13.590 -7.940 -6.090 360 2HB LEU 44 2HB LEU 44 -14.936 -8.759 -5.315 361 HG LEU 44 HG LEU 44 -13.316 -10.233 -4.073 362 1HD1 LEU 44 1HD1 LEU 44 -11.027 -9.340 -3.786 363 2HD1 LEU 44 2HD1 LEU 44 -11.300 -9.891 -5.430 364 3HD1 LEU 44 3HD1 LEU 44 -11.325 -8.148 -5.081 365 1HD2 LEU 44 1HD2 LEU 44 -14.487 -8.386 -3.002 366 2HD2 LEU 44 2HD2 LEU 44 -12.825 -8.474 -2.396 367 3HD2 LEU 44 3HD2 LEU 44 -13.275 -7.231 -3.585 368 H GLU 45 H GLU 45 -15.956 -10.994 -5.723 369 HA GLU 45 HA GLU 45 -17.686 -10.922 -8.081 370 1HB GLU 45 1HB GLU 45 -17.665 -12.226 -5.423 371 2HB GLU 45 2HB GLU 45 -19.256 -11.620 -5.837 372 1HG GLU 45 1HG GLU 45 -17.582 -13.378 -7.673 373 2HG GLU 45 2HG GLU 45 -18.802 -13.977 -6.532 374 H GLU 46 H GLU 46 -19.975 -10.184 -7.594 375 HA GLU 46 HA GLU 46 -19.842 -7.345 -7.650 376 1HB GLU 46 1HB GLU 46 -21.252 -8.790 -9.093 377 2HB GLU 46 2HB GLU 46 -22.200 -9.270 -7.681 378 1HG GLU 46 1HG GLU 46 -22.869 -6.825 -7.408 379 2HG GLU 46 2HG GLU 46 -22.013 -6.491 -8.920 380 H ILE 47 H ILE 47 -19.237 -6.638 -5.469 381 HA ILE 47 HA ILE 47 -21.007 -7.065 -3.209 382 HB ILE 47 HB ILE 47 -19.798 -4.601 -2.700 383 1HG1 ILE 47 1HG1 ILE 47 -18.355 -5.042 -4.794 384 2HG1 ILE 47 2HG1 ILE 47 -17.668 -4.456 -3.274 385 1HG2 ILE 47 1HG2 ILE 47 -18.513 -5.779 -1.072 386 2HG2 ILE 47 2HG2 ILE 47 -20.182 -6.366 -1.111 387 3HG2 ILE 47 3HG2 ILE 47 -18.900 -7.334 -1.833 388 1HD1 ILE 47 1HD1 ILE 47 -16.448 -6.430 -4.426 389 2HD1 ILE 47 2HD1 ILE 47 -16.732 -6.454 -2.672 390 3HD1 ILE 47 3HD1 ILE 47 -17.745 -7.431 -3.776 391 H LYS 48 H LYS 48 -22.987 -6.824 -4.508 392 HA LYS 48 HA LYS 48 -23.958 -4.064 -4.883 393 1HB LYS 48 1HB LYS 48 -26.185 -5.201 -5.144 394 2HB LYS 48 2HB LYS 48 -24.941 -5.604 -6.333 395 1HG LYS 48 1HG LYS 48 -24.503 -7.745 -5.282 396 2HG LYS 48 2HG LYS 48 -25.614 -7.367 -3.943 397 1HD LYS 48 1HD LYS 48 -27.506 -7.336 -5.471 398 2HD LYS 48 2HD LYS 48 -26.440 -7.561 -6.870 399 1HE LYS 48 1HE LYS 48 -26.703 -9.552 -4.561 400 2HE LYS 48 2HE LYS 48 -27.561 -9.673 -6.111 401 1HZ LYS 48 1HZ LYS 48 -25.648 -11.000 -6.208 402 2HZ LYS 48 2HZ LYS 48 -25.383 -9.697 -7.189 403 3HZ LYS 48 3HZ LYS 48 -24.659 -9.779 -5.714 404 H GLU 49 H GLU 49 -24.016 -6.550 -2.384 405 HA GLU 49 HA GLU 49 -26.105 -5.484 -0.789 406 1HB GLU 49 1HB GLU 49 -23.810 -7.344 -0.055 407 2HB GLU 49 2HB GLU 49 -25.256 -7.047 0.920 408 1HG GLU 49 1HG GLU 49 -26.680 -7.872 -0.970 409 2HG GLU 49 2HG GLU 49 -25.210 -8.305 -1.861 410 H GLN 50 H GLN 50 -25.598 -3.253 -0.632 411 HA GLN 50 HA GLN 50 -23.680 -1.727 0.273 412 1HB GLN 50 1HB GLN 50 -26.080 -1.111 -0.046 413 2HB GLN 50 2HB GLN 50 -26.366 -1.555 1.648 414 1HG GLN 50 1HG GLN 50 -24.543 0.086 2.305 415 2HG GLN 50 2HG GLN 50 -24.409 0.560 0.606 416 1HE2 GLN 50 1HE2 GLN 50 -27.001 0.846 -0.276 417 2HE2 GLN 50 2HE2 GLN 50 -27.827 2.030 0.722 418 H GLU 51 H GLU 51 -25.494 -3.783 2.593 419 HA GLU 51 HA GLU 51 -24.242 -2.852 4.951 420 1HB GLU 51 1HB GLU 51 -24.868 -5.775 4.933 421 2HB GLU 51 2HB GLU 51 -25.291 -4.510 6.071 422 1HG GLU 51 1HG GLU 51 -27.342 -5.194 5.204 423 2HG GLU 51 2HG GLU 51 -27.023 -3.733 4.268 424 H VAL 52 H VAL 52 -23.269 -5.406 2.652 425 HA VAL 52 HA VAL 52 -21.070 -6.293 4.343 426 HB VAL 52 HB VAL 52 -21.725 -7.038 1.464 427 1HG1 VAL 52 1HG1 VAL 52 -19.749 -8.050 3.556 428 2HG1 VAL 52 2HG1 VAL 52 -20.285 -9.048 2.203 429 3HG1 VAL 52 3HG1 VAL 52 -19.419 -7.538 1.889 430 1HG2 VAL 52 1HG2 VAL 52 -22.616 -9.126 2.570 431 2HG2 VAL 52 2HG2 VAL 52 -22.429 -8.324 4.143 432 3HG2 VAL 52 3HG2 VAL 52 -23.568 -7.687 2.941 433 H VAL 53 H VAL 53 -21.489 -4.209 1.426 434 HA VAL 53 HA VAL 53 -18.734 -3.808 0.981 435 HB VAL 53 HB VAL 53 -19.208 -2.278 -0.483 436 1HG1 VAL 53 1HG1 VAL 53 -22.077 -3.071 -0.145 437 2HG1 VAL 53 2HG1 VAL 53 -21.246 -2.642 -1.631 438 3HG1 VAL 53 3HG1 VAL 53 -20.857 -4.159 -0.804 439 1HG2 VAL 53 1HG2 VAL 53 -19.679 -0.361 0.783 440 2HG2 VAL 53 2HG2 VAL 53 -21.048 -0.511 -0.331 441 3HG2 VAL 53 3HG2 VAL 53 -21.254 -0.967 1.330 442 H ASP 54 H ASP 54 -21.050 -2.119 3.143 443 HA ASP 54 HA ASP 54 -19.197 -0.329 4.313 444 1HB ASP 54 1HB ASP 54 -21.654 -0.125 4.504 445 2HB ASP 54 2HB ASP 54 -21.686 -1.525 5.589 446 H LYS 55 H LYS 55 -20.151 -3.694 5.272 447 HA LYS 55 HA LYS 55 -18.587 -3.801 7.599 448 1HB LYS 55 1HB LYS 55 -20.301 -5.501 6.798 449 2HB LYS 55 2HB LYS 55 -19.040 -6.157 5.753 450 1HG LYS 55 1HG LYS 55 -17.648 -6.165 8.100 451 2HG LYS 55 2HG LYS 55 -19.273 -6.083 8.764 452 1HD LYS 55 1HD LYS 55 -18.947 -8.355 8.734 453 2HD LYS 55 2HD LYS 55 -19.726 -8.167 7.162 454 1HE LYS 55 1HE LYS 55 -16.695 -8.293 7.695 455 2HE LYS 55 2HE LYS 55 -17.687 -9.645 7.130 456 1HZ LYS 55 1HZ LYS 55 -18.180 -8.351 5.165 457 2HZ LYS 55 2HZ LYS 55 -17.192 -7.140 5.691 458 3HZ LYS 55 3HZ LYS 55 -16.563 -8.619 5.339 459 H VAL 56 H VAL 56 -17.591 -4.719 4.216 460 HA VAL 56 HA VAL 56 -14.962 -5.508 5.088 461 HB VAL 56 HB VAL 56 -14.256 -5.525 2.803 462 1HG1 VAL 56 1HG1 VAL 56 -17.051 -6.708 3.110 463 2HG1 VAL 56 2HG1 VAL 56 -15.828 -7.198 1.930 464 3HG1 VAL 56 3HG1 VAL 56 -15.525 -7.443 3.656 465 1HG2 VAL 56 1HG2 VAL 56 -16.951 -4.397 2.052 466 2HG2 VAL 56 2HG2 VAL 56 -15.412 -3.518 1.908 467 3HG2 VAL 56 3HG2 VAL 56 -15.708 -4.962 0.928 468 H MET 57 H MET 57 -16.297 -2.351 4.003 469 HA MET 57 HA MET 57 -13.805 -0.937 4.120 470 1HB MET 57 1HB MET 57 -16.698 -0.140 4.660 471 2HB MET 57 2HB MET 57 -15.365 0.998 4.804 472 1HG MET 57 1HG MET 57 -14.700 0.532 2.476 473 2HG MET 57 2HG MET 57 -15.996 -0.664 2.342 474 1HE MET 57 1HE MET 57 -16.615 3.873 2.611 475 2HE MET 57 2HE MET 57 -15.773 2.979 3.890 476 3HE MET 57 3HE MET 57 -15.051 3.100 2.267 477 H GLU 58 H GLU 58 -16.306 -1.436 6.592 478 HA GLU 58 HA GLU 58 -15.137 -0.116 8.732 479 1HB GLU 58 1HB GLU 58 -17.418 -0.961 8.748 480 2HB GLU 58 2HB GLU 58 -16.847 -2.639 8.795 481 1HG GLU 58 1HG GLU 58 -15.884 -2.343 10.994 482 2HG GLU 58 2HG GLU 58 -16.140 -0.596 10.914 483 H THR 59 H THR 59 -14.649 -3.435 7.678 484 HA THR 59 HA THR 59 -12.883 -4.365 9.643 485 HB THR 59 HB THR 59 -12.957 -5.027 6.672 486 HG1 THR 59 HG1 THR 59 -14.920 -5.340 7.756 487 1HG2 THR 59 1HG2 THR 59 -12.056 -7.216 7.321 488 2HG2 THR 59 2HG2 THR 59 -10.890 -5.913 7.565 489 3HG2 THR 59 3HG2 THR 59 -11.755 -6.602 8.964 490 H LEU 60 H LEU 60 -12.143 -2.109 6.956 491 HA LEU 60 HA LEU 60 -9.276 -2.058 7.840 492 1HB LEU 60 1HB LEU 60 -10.561 -1.033 5.257 493 2HB LEU 60 2HB LEU 60 -8.920 -0.719 5.784 494 HG LEU 60 HG LEU 60 -8.698 -2.353 4.230 495 1HD1 LEU 60 1HD1 LEU 60 -7.343 -2.556 6.345 496 2HD1 LEU 60 2HD1 LEU 60 -8.415 -3.899 6.817 497 3HD1 LEU 60 3HD1 LEU 60 -7.442 -4.003 5.339 498 1HD2 LEU 60 1HD2 LEU 60 -10.984 -3.284 4.185 499 2HD2 LEU 60 2HD2 LEU 60 -9.741 -4.550 4.225 500 3HD2 LEU 60 3HD2 LEU 60 -10.654 -4.170 5.691 501 H ASP 61 H ASP 61 -12.224 -0.243 8.017 502 HA ASP 61 HA ASP 61 -11.142 2.322 7.803 503 1HB ASP 61 1HB ASP 61 -13.524 1.806 7.539 504 2HB ASP 61 2HB ASP 61 -13.636 1.464 9.278 505 H SER 62 H SER 62 -9.147 1.886 9.213 506 HA SER 62 HA SER 62 -9.125 2.009 11.978 507 1HB SER 62 1HB SER 62 -7.276 3.559 10.113 508 2HB SER 62 2HB SER 62 -6.946 3.065 11.781 509 HG SER 62 HG SER 62 -7.086 1.471 9.458 510 H ASP 63 H ASP 63 -10.070 4.582 9.737 511 HA ASP 63 HA ASP 63 -9.790 6.747 11.625 512 1HB ASP 63 1HB ASP 63 -11.585 6.652 9.171 513 2HB ASP 63 2HB ASP 63 -10.943 8.074 9.989 514 H GLY 64 H GLY 64 -12.128 4.181 11.350 515 1HA GLY 64 1HA GLY 64 -14.255 3.884 12.126 516 2HA GLY 64 2HA GLY 64 -13.744 4.903 13.483 517 H ASP 65 H ASP 65 -14.235 5.641 10.013 518 HA ASP 65 HA ASP 65 -15.944 7.980 10.773 519 1HB ASP 65 1HB ASP 65 -13.577 8.455 10.063 520 2HB ASP 65 2HB ASP 65 -13.932 7.697 8.501 521 H GLY 66 H GLY 66 -16.140 4.959 9.461 522 1HA GLY 66 1HA GLY 66 -17.842 3.974 8.295 523 2HA GLY 66 2HA GLY 66 -18.553 5.547 7.893 524 H GLU 67 H GLU 67 -16.872 6.920 6.575 525 HA GLU 67 HA GLU 67 -16.262 5.559 4.097 526 1HB GLU 67 1HB GLU 67 -15.277 7.692 3.403 527 2HB GLU 67 2HB GLU 67 -16.925 7.837 4.032 528 1HG GLU 67 1HG GLU 67 -15.943 8.642 6.220 529 2HG GLU 67 2HG GLU 67 -14.352 8.639 5.446 530 H CYS 68 H CYS 68 -14.139 5.138 3.247 531 HA CYS 68 HA CYS 68 -12.121 4.470 5.375 532 1HB CYS 68 1HB CYS 68 -12.691 3.292 2.632 533 2HB CYS 68 2HB CYS 68 -11.102 3.107 3.413 534 HG CYS 68 HG CYS 68 -12.234 0.958 3.884 535 H ASP 69 H ASP 69 -10.232 5.578 5.447 536 HA ASP 69 HA ASP 69 -9.770 7.823 3.659 537 1HB ASP 69 1HB ASP 69 -9.187 7.930 6.037 538 2HB ASP 69 2HB ASP 69 -8.051 6.575 5.847 539 H PHE 70 H PHE 70 -7.917 7.987 2.259 540 HA PHE 70 HA PHE 70 -7.469 5.944 0.529 541 1HB PHE 70 1HB PHE 70 -6.758 8.332 0.255 542 2HB PHE 70 2HB PHE 70 -5.428 8.026 1.370 543 HD1 PHE 70 HD1 PHE 70 -3.500 8.364 0.043 544 HD2 PHE 70 HD2 PHE 70 -6.671 5.869 -1.481 545 HE1 PHE 70 HE1 PHE 70 -2.256 8.036 -2.070 546 HE2 PHE 70 HE2 PHE 70 -5.394 5.487 -3.545 547 HZ PHE 70 HZ PHE 70 -3.201 6.579 -3.875 548 H GLN 71 H GLN 71 -5.592 6.510 3.520 549 HA GLN 71 HA GLN 71 -3.642 4.472 3.277 550 1HB GLN 71 1HB GLN 71 -5.224 5.584 5.628 551 2HB GLN 71 2HB GLN 71 -3.949 4.384 5.850 552 1HG GLN 71 1HG GLN 71 -3.435 7.002 4.380 553 2HG GLN 71 2HG GLN 71 -3.331 6.847 6.135 554 1HE2 GLN 71 1HE2 GLN 71 -1.528 6.323 3.163 555 2HE2 GLN 71 2HE2 GLN 71 -0.229 5.434 3.949 556 H GLU 72 H GLU 72 -7.045 4.230 4.406 557 HA GLU 72 HA GLU 72 -6.737 1.447 5.200 558 1HB GLU 72 1HB GLU 72 -9.336 2.956 4.766 559 2HB GLU 72 2HB GLU 72 -9.041 1.553 5.786 560 1HG GLU 72 1HG GLU 72 -8.293 4.439 6.234 561 2HG GLU 72 2HG GLU 72 -9.189 3.370 7.292 562 H PHE 73 H PHE 73 -8.096 3.212 2.439 563 HA PHE 73 HA PHE 73 -9.001 0.974 0.900 564 1HB PHE 73 1HB PHE 73 -9.560 3.133 0.187 565 2HB PHE 73 2HB PHE 73 -7.901 3.695 0.193 566 HD1 PHE 73 HD1 PHE 73 -6.409 3.272 -1.730 567 HD2 PHE 73 HD2 PHE 73 -10.398 1.635 -1.646 568 HE1 PHE 73 HE1 PHE 73 -6.376 3.030 -4.210 569 HE2 PHE 73 HE2 PHE 73 -10.365 1.438 -4.108 570 HZ PHE 73 HZ PHE 73 -8.405 2.273 -5.417 571 H MET 74 H MET 74 -5.734 2.547 1.019 572 HA MET 74 HA MET 74 -4.545 0.640 -0.701 573 1HB MET 74 1HB MET 74 -3.288 2.496 1.342 574 2HB MET 74 2HB MET 74 -2.389 1.414 0.274 575 1HG MET 74 1HG MET 74 -3.790 2.506 -1.664 576 2HG MET 74 2HG MET 74 -4.124 3.772 -0.492 577 1HE MET 74 1HE MET 74 -1.550 1.920 -2.685 578 2HE MET 74 2HE MET 74 -0.041 2.800 -2.386 579 3HE MET 74 3HE MET 74 -0.699 1.715 -1.146 580 H ALA 75 H ALA 75 -5.016 0.550 2.812 581 HA ALA 75 HA ALA 75 -3.534 -1.849 3.258 582 1HB ALA 75 1HB ALA 75 -4.800 -2.095 5.301 583 2HB ALA 75 2HB ALA 75 -4.381 -0.386 5.071 584 3HB ALA 75 3HB ALA 75 -6.032 -0.954 4.746 585 H PHE 76 H PHE 76 -6.943 -1.369 2.235 586 HA PHE 76 HA PHE 76 -7.639 -4.176 2.210 587 1HB PHE 76 1HB PHE 76 -9.426 -2.575 2.151 588 2HB PHE 76 2HB PHE 76 -8.744 -1.767 0.756 589 HD1 PHE 76 HD1 PHE 76 -10.151 -5.123 1.779 590 HD2 PHE 76 HD2 PHE 76 -9.472 -2.251 -1.389 591 HE1 PHE 76 HE1 PHE 76 -11.478 -6.509 0.205 592 HE2 PHE 76 HE2 PHE 76 -10.799 -3.634 -2.932 593 HZ PHE 76 HZ PHE 76 -11.745 -5.795 -2.184 594 H VAL 77 H VAL 77 -6.566 -1.918 -0.356 595 HA VAL 77 HA VAL 77 -6.262 -3.763 -2.462 596 HB VAL 77 HB VAL 77 -4.763 -1.233 -1.757 597 1HG1 VAL 77 1HG1 VAL 77 -4.066 -1.160 -4.167 598 2HG1 VAL 77 2HG1 VAL 77 -3.314 -2.497 -3.298 599 3HG1 VAL 77 3HG1 VAL 77 -4.689 -2.810 -4.375 600 1HG2 VAL 77 1HG2 VAL 77 -7.226 -1.009 -2.279 601 2HG2 VAL 77 2HG2 VAL 77 -6.201 -0.208 -3.473 602 3HG2 VAL 77 3HG2 VAL 77 -6.932 -1.783 -3.842 603 H ALA 78 H ALA 78 -4.000 -2.972 0.231 604 HA ALA 78 HA ALA 78 -1.851 -4.488 -0.731 605 1HB ALA 78 1HB ALA 78 -0.982 -4.463 1.559 606 2HB ALA 78 2HB ALA 78 -1.642 -2.874 1.134 607 3HB ALA 78 3HB ALA 78 -2.557 -3.976 2.191 608 H MET 79 H MET 79 -4.458 -5.589 1.560 609 HA MET 79 HA MET 79 -3.375 -8.229 1.717 610 1HB MET 79 1HB MET 79 -5.504 -9.025 2.481 611 2HB MET 79 2HB MET 79 -5.010 -7.557 3.338 612 1HG MET 79 1HG MET 79 -6.689 -6.282 2.140 613 2HG MET 79 2HG MET 79 -7.077 -7.676 1.095 614 1HE MET 79 1HE MET 79 -6.643 -7.660 5.047 615 2HE MET 79 2HE MET 79 -7.420 -6.124 4.584 616 3HE MET 79 3HE MET 79 -8.350 -7.362 5.468 617 H ILE 80 H ILE 80 -5.720 -6.818 -0.543 618 HA ILE 80 HA ILE 80 -6.391 -9.163 -1.992 619 HB ILE 80 HB ILE 80 -6.214 -6.243 -2.819 620 1HG1 ILE 80 1HG1 ILE 80 -7.784 -6.960 -0.868 621 2HG1 ILE 80 2HG1 ILE 80 -8.408 -5.945 -2.167 622 1HG2 ILE 80 1HG2 ILE 80 -7.553 -8.553 -4.251 623 2HG2 ILE 80 2HG2 ILE 80 -7.844 -6.830 -4.600 624 3HG2 ILE 80 3HG2 ILE 80 -6.239 -7.520 -4.858 625 1HD1 ILE 80 1HD1 ILE 80 -8.754 -8.965 -2.089 626 2HD1 ILE 80 2HD1 ILE 80 -9.909 -7.806 -1.403 627 3HD1 ILE 80 3HD1 ILE 80 -9.572 -7.777 -3.141 628 H THR 81 H THR 81 -3.938 -6.684 -2.704 629 HA THR 81 HA THR 81 -2.838 -7.878 -5.004 630 HB THR 81 HB THR 81 -1.495 -6.077 -2.914 631 HG1 THR 81 HG1 THR 81 -3.311 -5.120 -3.773 632 1HG2 THR 81 1HG2 THR 81 -0.011 -5.370 -4.716 633 2HG2 THR 81 2HG2 THR 81 0.146 -7.123 -4.478 634 3HG2 THR 81 3HG2 THR 81 -0.782 -6.495 -5.846 635 H THR 82 H THR 82 -1.903 -8.168 -1.519 636 HA THR 82 HA THR 82 0.404 -9.752 -1.944 637 HB THR 82 HB THR 82 -1.468 -9.695 0.461 638 HG1 THR 82 HG1 THR 82 -0.617 -7.676 -0.100 639 1HG2 THR 82 1HG2 THR 82 1.479 -10.463 0.331 640 2HG2 THR 82 2HG2 THR 82 0.455 -10.402 1.774 641 3HG2 THR 82 3HG2 THR 82 0.144 -11.622 0.533 642 H ALA 83 H ALA 83 -2.987 -10.702 -1.169 643 HA ALA 83 HA ALA 83 -2.610 -13.492 -1.161 644 1HB ALA 83 1HB ALA 83 -5.087 -11.935 -2.018 645 2HB ALA 83 2HB ALA 83 -5.023 -13.620 -1.445 646 3HB ALA 83 3HB ALA 83 -4.626 -12.295 -0.343 647 H CYS 84 H CYS 84 -3.432 -11.283 -3.887 648 HA CYS 84 HA CYS 84 -3.489 -13.296 -5.908 649 1HB CYS 84 1HB CYS 84 -4.325 -11.052 -6.339 650 2HB CYS 84 2HB CYS 84 -2.693 -10.367 -6.131 651 HG CYS 84 HG CYS 84 -3.297 -10.451 -8.660 652 H HIS 85 H HIS 85 -0.769 -11.210 -4.838 653 HA HIS 85 HA HIS 85 1.207 -11.964 -6.562 654 1HB HIS 85 1HB HIS 85 2.330 -10.516 -5.318 655 2HB HIS 85 2HB HIS 85 1.099 -10.556 -4.075 656 HD1 HIS 85 HD1 HIS 85 4.330 -12.535 -4.970 657 HD2 HIS 85 HD2 HIS 85 1.903 -11.423 -1.718 658 HE1 HIS 85 HE1 HIS 85 5.408 -13.483 -2.899 659 H GLU 86 H GLU 86 0.432 -13.608 -3.515 660 HA GLU 86 HA GLU 86 2.368 -15.569 -3.406 661 1HB GLU 86 1HB GLU 86 -0.607 -15.759 -2.795 662 2HB GLU 86 2HB GLU 86 0.558 -17.001 -2.326 663 1HG GLU 86 1HG GLU 86 1.714 -15.525 -0.843 664 2HG GLU 86 2HG GLU 86 0.911 -14.093 -1.489 665 H PHE 87 H PHE 87 -0.631 -15.686 -5.384 666 HA PHE 87 HA PHE 87 0.226 -18.366 -6.423 667 1HB PHE 87 1HB PHE 87 -2.453 -16.970 -6.463 668 2HB PHE 87 2HB PHE 87 -2.070 -18.505 -7.253 669 HD1 PHE 87 HD1 PHE 87 -1.363 -20.510 -5.934 670 HD2 PHE 87 HD2 PHE 87 -2.583 -16.862 -3.976 671 HE1 PHE 87 HE1 PHE 87 -1.278 -21.653 -3.734 672 HE2 PHE 87 HE2 PHE 87 -2.386 -17.982 -1.782 673 HZ PHE 87 HZ PHE 87 -1.757 -20.380 -1.651 674 H PHE 88 H PHE 88 -0.152 -15.044 -7.392 675 HA PHE 88 HA PHE 88 -0.101 -15.399 -10.229 676 1HB PHE 88 1HB PHE 88 -0.415 -13.298 -8.811 677 2HB PHE 88 2HB PHE 88 1.345 -13.279 -8.591 678 HD1 PHE 88 HD1 PHE 88 -1.453 -12.493 -10.764 679 HD2 PHE 88 HD2 PHE 88 2.819 -13.040 -10.698 680 HE1 PHE 88 HE1 PHE 88 -1.224 -10.969 -12.723 681 HE2 PHE 88 HE2 PHE 88 3.046 -11.518 -12.647 682 HZ PHE 88 HZ PHE 88 1.032 -10.452 -13.637 683 H GLU 89 H GLU 89 2.361 -15.467 -7.645 684 HA GLU 89 HA GLU 89 4.572 -16.248 -9.398 685 1HB GLU 89 1HB GLU 89 4.083 -16.370 -6.392 686 2HB GLU 89 2HB GLU 89 5.594 -16.892 -7.159 687 1HG GLU 89 1HG GLU 89 6.036 -14.678 -7.984 688 2HG GLU 89 2HG GLU 89 4.424 -14.103 -7.534 689 H HIS 90 H HIS 90 2.772 -18.033 -6.788 690 HA HIS 90 HA HIS 90 3.833 -20.528 -7.890 691 1HB HIS 90 1HB HIS 90 2.085 -20.039 -5.466 692 2HB HIS 90 2HB HIS 90 2.939 -21.531 -5.877 693 HD1 HIS 90 HD1 HIS 90 3.553 -18.061 -4.470 694 HD2 HIS 90 HD2 HIS 90 5.745 -21.344 -5.903 695 HE1 HIS 90 HE1 HIS 90 6.007 -17.586 -3.951 696 H GLU 91 H GLU 91 2.663 -20.080 -9.938 697 HA GLU 91 HA GLU 91 0.617 -22.107 -10.109 698 1HB GLU 91 1HB GLU 91 -0.801 -20.158 -9.580 699 2HB GLU 91 2HB GLU 91 -0.106 -19.255 -10.940 700 1HG GLU 91 1HG GLU 91 -1.130 -20.721 -12.548 701 2HG GLU 91 2HG GLU 91 -1.518 -21.924 -11.314 702 1H SER 1 1H SER 1 -9.528 -3.799 -15.884 703 2H SER 1 2H SER 1 -8.271 -2.992 -16.604 704 3H SER 1 3H SER 1 -8.036 -3.785 -15.180 705 HA SER 1 HA SER 1 -9.635 -1.390 -15.648 706 1HB SER 1 1HB SER 1 -9.358 -2.876 -13.011 707 2HB SER 1 2HB SER 1 -10.397 -1.483 -13.389 708 HG SER 1 HG SER 1 -11.295 -3.758 -13.416 709 H GLU 2 H GLU 2 -8.799 0.473 -14.522 710 HA GLU 2 HA GLU 2 -6.088 0.852 -14.799 711 1HB GLU 2 1HB GLU 2 -7.721 2.391 -12.759 712 2HB GLU 2 2HB GLU 2 -6.385 2.973 -13.763 713 1HG GLU 2 1HG GLU 2 -9.273 2.387 -14.510 714 2HG GLU 2 2HG GLU 2 -8.400 3.907 -14.616 715 H LEU 3 H LEU 3 -7.789 0.420 -11.653 716 HA LEU 3 HA LEU 3 -5.352 0.357 -10.136 717 1HB LEU 3 1HB LEU 3 -6.645 -0.219 -8.247 718 2HB LEU 3 2HB LEU 3 -7.435 1.040 -9.210 719 HG LEU 3 HG LEU 3 -8.732 -1.098 -10.236 720 1HD1 LEU 3 1HD1 LEU 3 -8.142 -1.930 -7.356 721 2HD1 LEU 3 2HD1 LEU 3 -9.267 -2.716 -8.482 722 3HD1 LEU 3 3HD1 LEU 3 -7.528 -2.779 -8.785 723 1HD2 LEU 3 1HD2 LEU 3 -10.477 -0.625 -8.455 724 2HD2 LEU 3 2HD2 LEU 3 -9.272 0.375 -7.627 725 3HD2 LEU 3 3HD2 LEU 3 -9.822 0.818 -9.260 726 H GLU 4 H GLU 4 -7.172 -2.149 -11.847 727 HA GLU 4 HA GLU 4 -5.929 -4.401 -10.530 728 1HB GLU 4 1HB GLU 4 -8.067 -4.569 -11.674 729 2HB GLU 4 2HB GLU 4 -7.324 -4.207 -13.234 730 1HG GLU 4 1HG GLU 4 -6.497 -6.564 -11.493 731 2HG GLU 4 2HG GLU 4 -7.808 -6.660 -12.674 732 H LYS 5 H LYS 5 -5.256 -2.478 -13.457 733 HA LYS 5 HA LYS 5 -2.977 -4.007 -14.324 734 1HB LYS 5 1HB LYS 5 -3.904 -1.188 -14.928 735 2HB LYS 5 2HB LYS 5 -2.471 -1.909 -15.655 736 1HG LYS 5 1HG LYS 5 -5.318 -2.995 -15.862 737 2HG LYS 5 2HG LYS 5 -4.465 -2.106 -17.116 738 1HD LYS 5 1HD LYS 5 -3.851 -4.910 -16.055 739 2HD LYS 5 2HD LYS 5 -4.454 -4.468 -17.640 740 1HE LYS 5 1HE LYS 5 -1.665 -3.872 -16.543 741 2HE LYS 5 2HE LYS 5 -2.098 -5.043 -17.789 742 1HZ LYS 5 1HZ LYS 5 -2.837 -3.231 -19.164 743 2HZ LYS 5 2HZ LYS 5 -2.412 -2.135 -18.009 744 3HZ LYS 5 3HZ LYS 5 -1.254 -3.045 -18.745 745 H ALA 6 H ALA 6 -3.320 -1.018 -12.396 746 HA ALA 6 HA ALA 6 -0.616 -0.620 -11.753 747 1HB ALA 6 1HB ALA 6 -2.429 0.917 -11.123 748 2HB ALA 6 2HB ALA 6 -3.083 -0.276 -9.994 749 3HB ALA 6 3HB ALA 6 -1.505 0.451 -9.678 750 H VAL 7 H VAL 7 -3.014 -2.610 -9.953 751 HA VAL 7 HA VAL 7 -1.302 -3.735 -8.055 752 HB VAL 7 HB VAL 7 -3.903 -4.557 -9.338 753 1HG1 VAL 7 1HG1 VAL 7 -2.449 -6.236 -7.288 754 2HG1 VAL 7 2HG1 VAL 7 -4.166 -6.371 -7.716 755 3HG1 VAL 7 3HG1 VAL 7 -2.934 -6.724 -8.931 756 1HG2 VAL 7 1HG2 VAL 7 -3.786 -2.715 -7.633 757 2HG2 VAL 7 2HG2 VAL 7 -4.765 -4.095 -7.102 758 3HG2 VAL 7 3HG2 VAL 7 -3.117 -3.870 -6.480 759 H VAL 8 H VAL 8 -2.134 -5.252 -11.305 760 HA VAL 8 HA VAL 8 -0.261 -7.345 -10.699 761 HB VAL 8 HB VAL 8 -0.455 -8.124 -12.944 762 1HG1 VAL 8 1HG1 VAL 8 -3.135 -7.393 -11.682 763 2HG1 VAL 8 2HG1 VAL 8 -2.838 -8.706 -12.836 764 3HG1 VAL 8 3HG1 VAL 8 -2.104 -8.763 -11.225 765 1HG2 VAL 8 1HG2 VAL 8 -2.352 -5.849 -13.494 766 2HG2 VAL 8 2HG2 VAL 8 -0.693 -5.914 -14.132 767 3HG2 VAL 8 3HG2 VAL 8 -1.887 -7.141 -14.602 768 H ALA 9 H ALA 9 0.257 -4.128 -12.157 769 HA ALA 9 HA ALA 9 2.931 -4.705 -13.040 770 1HB ALA 9 1HB ALA 9 1.836 -2.075 -11.987 771 2HB ALA 9 2HB ALA 9 3.361 -2.330 -12.849 772 3HB ALA 9 3HB ALA 9 1.811 -2.627 -13.678 773 H LEU 10 H LEU 10 1.637 -3.563 -9.857 774 HA LEU 10 HA LEU 10 4.139 -3.379 -8.525 775 1HB LEU 10 1HB LEU 10 1.517 -4.341 -7.297 776 2HB LEU 10 2HB LEU 10 2.939 -3.777 -6.430 777 HG LEU 10 HG LEU 10 1.122 -2.083 -8.179 778 1HD1 LEU 10 1HD1 LEU 10 0.506 -1.028 -6.071 779 2HD1 LEU 10 2HD1 LEU 10 0.187 -2.771 -6.000 780 3HD1 LEU 10 3HD1 LEU 10 1.619 -2.096 -5.188 781 1HD2 LEU 10 1HD2 LEU 10 3.606 -1.292 -6.617 782 2HD2 LEU 10 2HD2 LEU 10 3.361 -1.179 -8.384 783 3HD2 LEU 10 3HD2 LEU 10 2.419 -0.156 -7.292 784 H ILE 11 H ILE 11 1.916 -6.188 -8.816 785 HA ILE 11 HA ILE 11 3.598 -8.026 -7.417 786 HB ILE 11 HB ILE 11 1.520 -8.512 -9.583 787 1HG1 ILE 11 1HG1 ILE 11 1.368 -8.714 -6.531 788 2HG1 ILE 11 2HG1 ILE 11 0.722 -7.386 -7.490 789 1HG2 ILE 11 1HG2 ILE 11 2.867 -10.482 -7.682 790 2HG2 ILE 11 2HG2 ILE 11 1.479 -10.842 -8.731 791 3HG2 ILE 11 3HG2 ILE 11 3.028 -10.452 -9.449 792 1HD1 ILE 11 1HD1 ILE 11 -1.103 -8.798 -6.978 793 2HD1 ILE 11 2HD1 ILE 11 -0.757 -9.026 -8.701 794 3HD1 ILE 11 3HD1 ILE 11 -0.259 -10.253 -7.512 795 H ASP 12 H ASP 12 3.331 -7.326 -10.923 796 HA ASP 12 HA ASP 12 5.093 -9.234 -11.883 797 1HB ASP 12 1HB ASP 12 3.690 -7.920 -13.354 798 2HB ASP 12 2HB ASP 12 4.589 -6.444 -12.960 799 H VAL 13 H VAL 13 5.813 -5.829 -10.966 800 HA VAL 13 HA VAL 13 8.648 -6.048 -11.339 801 HB VAL 13 HB VAL 13 6.856 -4.136 -9.787 802 1HG1 VAL 13 1HG1 VAL 13 8.905 -2.656 -9.684 803 2HG1 VAL 13 2HG1 VAL 13 9.051 -4.082 -8.650 804 3HG1 VAL 13 3HG1 VAL 13 9.890 -4.028 -10.216 805 1HG2 VAL 13 1HG2 VAL 13 7.438 -2.633 -11.600 806 2HG2 VAL 13 2HG2 VAL 13 8.497 -3.861 -12.330 807 3HG2 VAL 13 3HG2 VAL 13 6.738 -4.115 -12.269 808 H PHE 14 H PHE 14 6.645 -6.183 -8.336 809 HA PHE 14 HA PHE 14 8.733 -6.452 -6.547 810 1HB PHE 14 1HB PHE 14 6.403 -6.089 -5.889 811 2HB PHE 14 2HB PHE 14 5.973 -7.719 -6.398 812 HD1 PHE 14 HD1 PHE 14 7.832 -5.702 -3.904 813 HD2 PHE 14 HD2 PHE 14 6.647 -9.694 -5.034 814 HE1 PHE 14 HE1 PHE 14 8.514 -6.552 -1.674 815 HE2 PHE 14 HE2 PHE 14 7.246 -10.498 -2.781 816 HZ PHE 14 HZ PHE 14 8.183 -8.936 -1.093 817 H HIS 15 H HIS 15 6.954 -9.212 -8.116 818 HA HIS 15 HA HIS 15 8.431 -11.108 -6.611 819 1HB HIS 15 1HB HIS 15 7.446 -12.794 -7.777 820 2HB HIS 15 2HB HIS 15 6.223 -11.512 -7.757 821 HD1 HIS 15 HD1 HIS 15 6.132 -10.123 -10.227 822 HD2 HIS 15 HD2 HIS 15 8.045 -13.866 -10.046 823 HE1 HIS 15 HE1 HIS 15 6.322 -10.995 -12.653 824 H GLN 16 H GLN 16 9.046 -9.759 -9.869 825 HA GLN 16 HA GLN 16 11.141 -11.470 -10.668 826 1HB GLN 16 1HB GLN 16 10.587 -8.527 -11.200 827 2HB GLN 16 2HB GLN 16 11.993 -9.355 -11.886 828 1HG GLN 16 1HG GLN 16 10.604 -10.983 -13.012 829 2HG GLN 16 2HG GLN 16 9.142 -10.327 -12.264 830 1HE2 GLN 16 1HE2 GLN 16 8.528 -8.112 -12.796 831 2HE2 GLN 16 2HE2 GLN 16 8.898 -7.479 -14.394 832 H TYR 17 H TYR 17 11.303 -8.484 -8.688 833 HA TYR 17 HA TYR 17 14.180 -8.675 -8.304 834 1HB TYR 17 1HB TYR 17 11.973 -7.056 -6.991 835 2HB TYR 17 2HB TYR 17 13.646 -6.973 -6.467 836 HD1 TYR 17 HD1 TYR 17 11.796 -6.802 -9.799 837 HD2 TYR 17 HD2 TYR 17 14.926 -5.206 -7.296 838 HE1 TYR 17 HE1 TYR 17 12.009 -4.905 -11.313 839 HE2 TYR 17 HE2 TYR 17 15.221 -3.343 -8.915 840 HH TYR 17 HH TYR 17 12.856 -2.653 -11.449 841 H SER 18 H SER 18 11.369 -9.284 -6.165 842 HA SER 18 HA SER 18 12.764 -10.158 -3.891 843 1HB SER 18 1HB SER 18 9.985 -10.935 -4.854 844 2HB SER 18 2HB SER 18 10.582 -11.027 -3.188 845 HG SER 18 HG SER 18 9.958 -8.787 -4.750 846 H GLY 19 H GLY 19 12.013 -11.989 -6.828 847 1HA GLY 19 1HA GLY 19 12.391 -14.612 -5.756 848 2HA GLY 19 2HA GLY 19 12.583 -14.100 -7.441 849 H ARG 20 H ARG 20 14.681 -12.031 -6.672 850 HA ARG 20 HA ARG 20 16.823 -13.920 -7.192 851 1HB ARG 20 1HB ARG 20 17.103 -10.940 -6.843 852 2HB ARG 20 2HB ARG 20 18.153 -12.060 -7.728 853 1HG ARG 20 1HG ARG 20 15.894 -12.524 -9.118 854 2HG ARG 20 2HG ARG 20 15.447 -10.954 -8.453 855 1HD ARG 20 1HD ARG 20 17.864 -11.529 -10.200 856 2HD ARG 20 2HD ARG 20 16.395 -10.616 -10.619 857 HE ARG 20 HE ARG 20 17.840 -9.607 -8.276 858 1HH1 ARG 20 1HH2 ARG 20 17.616 -9.324 -11.812 859 2HH1 ARG 20 2HH2 ARG 20 18.294 -7.719 -11.826 860 1HH2 ARG 20 2HH1 ARG 20 18.709 -7.618 -8.298 861 2HH2 ARG 20 1HH1 ARG 20 18.900 -6.686 -9.755 862 H GLU 21 H GLU 21 16.204 -11.505 -4.583 863 HA GLU 21 HA GLU 21 17.871 -13.172 -2.771 864 1HB GLU 21 1HB GLU 21 18.170 -10.162 -2.855 865 2HB GLU 21 2HB GLU 21 18.997 -11.323 -1.821 866 1HG GLU 21 1HG GLU 21 20.020 -12.374 -3.874 867 2HG GLU 21 2HG GLU 21 19.279 -11.099 -4.858 868 H GLY 22 H GLY 22 16.326 -13.916 -1.518 869 1HA GLY 22 1HA GLY 22 14.960 -12.965 0.533 870 2HA GLY 22 2HA GLY 22 13.987 -12.316 -0.803 871 H ASP 23 H ASP 23 12.377 -13.691 -1.456 872 HA ASP 23 HA ASP 23 12.881 -16.431 -2.124 873 1HB ASP 23 1HB ASP 23 11.552 -17.605 -0.510 874 2HB ASP 23 2HB ASP 23 12.753 -16.692 0.395 875 H LYS 24 H LYS 24 11.821 -14.153 -3.453 876 HA LYS 24 HA LYS 24 10.175 -13.603 -4.893 877 1HB LYS 24 1HB LYS 24 8.533 -16.011 -4.092 878 2HB LYS 24 2HB LYS 24 8.402 -15.012 -5.523 879 1HG LYS 24 1HG LYS 24 10.379 -15.757 -6.490 880 2HG LYS 24 2HG LYS 24 10.984 -16.540 -5.029 881 1HD LYS 24 1HD LYS 24 8.361 -17.504 -6.185 882 2HD LYS 24 2HD LYS 24 9.871 -17.926 -6.996 883 1HE LYS 24 1HE LYS 24 9.279 -19.698 -5.458 884 2HE LYS 24 2HE LYS 24 10.778 -18.920 -4.928 885 1HZ LYS 24 1HZ LYS 24 9.445 -17.689 -3.321 886 2HZ LYS 24 2HZ LYS 24 8.090 -18.484 -3.845 887 3HZ LYS 24 3HZ LYS 24 9.305 -19.319 -3.119 888 H HIS 25 H HIS 25 9.079 -14.520 -1.632 889 HA HIS 25 HA HIS 25 6.916 -12.492 -1.626 890 1HB HIS 25 1HB HIS 25 7.869 -14.224 0.661 891 2HB HIS 25 2HB HIS 25 6.310 -13.438 0.447 892 HD1 HIS 25 HD1 HIS 25 8.342 -16.396 -1.083 893 HD2 HIS 25 HD2 HIS 25 4.414 -14.977 -0.493 894 HE1 HIS 25 HE1 HIS 25 6.776 -18.318 -1.632 895 H LYS 26 H LYS 26 10.277 -12.531 -0.965 896 HA LYS 26 HA LYS 26 10.095 -10.280 0.983 897 1HB LYS 26 1HB LYS 26 11.919 -12.715 0.948 898 2HB LYS 26 2HB LYS 26 12.106 -11.344 2.041 899 1HG LYS 26 1HG LYS 26 9.925 -11.776 3.052 900 2HG LYS 26 2HG LYS 26 9.574 -13.062 1.910 901 1HD LYS 26 1HD LYS 26 11.444 -14.420 2.728 902 2HD LYS 26 2HD LYS 26 11.891 -13.187 3.885 903 1HE LYS 26 1HE LYS 26 9.236 -14.695 3.833 904 2HE LYS 26 2HE LYS 26 10.589 -14.984 4.939 905 1HZ LYS 26 1HZ LYS 26 10.310 -12.727 5.745 906 2HZ LYS 26 2HZ LYS 26 8.986 -12.530 4.792 907 3HZ LYS 26 3HZ LYS 26 8.967 -13.650 5.998 908 H LEU 27 H LEU 27 11.486 -8.596 0.748 909 HA LEU 27 HA LEU 27 13.464 -8.700 -1.511 910 1HB LEU 27 1HB LEU 27 12.049 -6.409 -0.102 911 2HB LEU 27 2HB LEU 27 13.464 -6.166 -1.126 912 HG LEU 27 HG LEU 27 10.895 -7.423 -2.129 913 1HD1 LEU 27 1HD1 LEU 27 10.442 -5.210 -3.130 914 2HD1 LEU 27 2HD1 LEU 27 10.576 -5.059 -1.365 915 3HD1 LEU 27 3HD1 LEU 27 11.930 -4.567 -2.405 916 1HD2 LEU 27 1HD2 LEU 27 11.825 -6.843 -4.358 917 2HD2 LEU 27 2HD2 LEU 27 13.278 -6.173 -3.594 918 3HD2 LEU 27 3HD2 LEU 27 12.948 -7.914 -3.515 919 H LYS 28 H LYS 28 15.475 -9.189 -0.779 920 HA LYS 28 HA LYS 28 16.394 -8.353 1.868 921 1HB LYS 28 1HB LYS 28 17.138 -10.429 0.516 922 2HB LYS 28 2HB LYS 28 18.016 -9.311 -0.515 923 1HG LYS 28 1HG LYS 28 19.558 -10.246 1.049 924 2HG LYS 28 2HG LYS 28 19.354 -8.559 1.452 925 1HD LYS 28 1HD LYS 28 19.440 -9.906 3.478 926 2HD LYS 28 2HD LYS 28 17.849 -9.172 3.353 927 1HE LYS 28 1HE LYS 28 17.703 -11.503 4.102 928 2HE LYS 28 2HE LYS 28 16.907 -11.334 2.535 929 1HZ LYS 28 1HZ LYS 28 19.628 -12.352 2.960 930 2HZ LYS 28 2HZ LYS 28 18.293 -13.265 2.649 931 3HZ LYS 28 3HZ LYS 28 18.860 -12.227 1.505 932 H LYS 29 H LYS 29 18.232 -6.749 2.090 933 HA LYS 29 HA LYS 29 17.514 -4.291 1.077 934 1HB LYS 29 1HB LYS 29 19.669 -3.425 1.907 935 2HB LYS 29 2HB LYS 29 18.834 -4.430 3.064 936 1HG LYS 29 1HG LYS 29 20.352 -6.355 2.454 937 2HG LYS 29 2HG LYS 29 21.244 -5.244 1.393 938 1HD LYS 29 1HD LYS 29 21.730 -3.781 3.349 939 2HD LYS 29 2HD LYS 29 20.774 -4.846 4.388 940 1HE LYS 29 1HE LYS 29 23.105 -5.361 4.731 941 2HE LYS 29 2HE LYS 29 22.348 -6.728 3.900 942 1HZ LYS 29 1HZ LYS 29 23.272 -5.824 1.838 943 2HZ LYS 29 2HZ LYS 29 24.037 -4.637 2.699 944 3HZ LYS 29 3HZ LYS 29 24.434 -6.212 2.938 945 H SER 30 H SER 30 19.808 -6.559 -0.389 946 HA SER 30 HA SER 30 21.057 -4.929 -2.315 947 1HB SER 30 1HB SER 30 20.848 -7.380 -3.471 948 2HB SER 30 2HB SER 30 21.981 -7.028 -2.157 949 HG SER 30 HG SER 30 20.718 -8.885 -1.693 950 H GLU 31 H GLU 31 17.934 -6.759 -2.369 951 HA GLU 31 HA GLU 31 17.364 -5.867 -5.097 952 1HB GLU 31 1HB GLU 31 15.818 -7.488 -3.043 953 2HB GLU 31 2HB GLU 31 15.186 -7.063 -4.640 954 1HG GLU 31 1HG GLU 31 17.835 -8.502 -4.214 955 2HG GLU 31 2HG GLU 31 16.307 -9.326 -4.541 956 H LEU 32 H LEU 32 16.255 -5.135 -1.779 957 HA LEU 32 HA LEU 32 14.160 -3.428 -2.492 958 1HB LEU 32 1HB LEU 32 15.124 -4.365 -0.150 959 2HB LEU 32 2HB LEU 32 15.756 -2.709 -0.056 960 HG LEU 32 HG LEU 32 12.847 -3.596 -0.427 961 1HD1 LEU 32 1HD1 LEU 32 13.724 -3.946 1.831 962 2HD1 LEU 32 2HD1 LEU 32 14.272 -2.250 1.893 963 3HD1 LEU 32 3HD1 LEU 32 12.539 -2.633 1.823 964 1HD2 LEU 32 1HD2 LEU 32 14.036 -0.797 -0.275 965 2HD2 LEU 32 2HD2 LEU 32 13.065 -1.493 -1.600 966 3HD2 LEU 32 3HD2 LEU 32 12.311 -1.161 -0.042 967 H LYS 33 H LYS 33 17.658 -2.608 -1.963 968 HA LYS 33 HA LYS 33 17.261 0.159 -2.322 969 1HB LYS 33 1HB LYS 33 19.488 0.456 -2.351 970 2HB LYS 33 2HB LYS 33 19.267 -1.033 -1.401 971 1HG LYS 33 1HG LYS 33 20.046 -2.359 -3.311 972 2HG LYS 33 2HG LYS 33 20.308 -0.885 -4.264 973 1HD LYS 33 1HD LYS 33 21.716 -1.593 -1.658 974 2HD LYS 33 2HD LYS 33 22.387 -1.742 -3.286 975 1HE LYS 33 1HE LYS 33 22.107 0.755 -3.594 976 2HE LYS 33 2HE LYS 33 21.604 0.871 -1.900 977 1HZ LYS 33 1HZ LYS 33 23.872 1.356 -2.079 978 2HZ LYS 33 2HZ LYS 33 23.705 -0.070 -1.272 979 3HZ LYS 33 3HZ LYS 33 24.201 -0.070 -2.844 980 H GLU 34 H GLU 34 18.158 -2.332 -4.734 981 HA GLU 34 HA GLU 34 18.355 -0.358 -6.842 982 1HB GLU 34 1HB GLU 34 18.544 -2.184 -8.407 983 2HB GLU 34 2HB GLU 34 19.620 -2.406 -7.018 984 1HG GLU 34 1HG GLU 34 17.974 -3.978 -6.030 985 2HG GLU 34 2HG GLU 34 16.962 -3.842 -7.468 986 H LEU 35 H LEU 35 15.718 -2.487 -5.716 987 HA LEU 35 HA LEU 35 13.733 -1.870 -7.631 988 1HB LEU 35 1HB LEU 35 13.498 -3.522 -5.854 989 2HB LEU 35 2HB LEU 35 13.625 -2.284 -4.626 990 HG LEU 35 HG LEU 35 11.422 -3.078 -4.725 991 1HD1 LEU 35 1HD1 LEU 35 10.128 -1.114 -4.856 992 2HD1 LEU 35 2HD1 LEU 35 11.738 -0.599 -4.368 993 3HD1 LEU 35 3HD1 LEU 35 11.174 -0.364 -6.047 994 1HD2 LEU 35 1HD2 LEU 35 11.371 -3.974 -7.000 995 2HD2 LEU 35 2HD2 LEU 35 9.941 -2.988 -6.639 996 3HD2 LEU 35 3HD2 LEU 35 11.252 -2.330 -7.656 997 H ILE 36 H ILE 36 14.557 -0.059 -4.577 998 HA ILE 36 HA ILE 36 12.759 2.055 -5.215 999 HB ILE 36 HB ILE 36 15.139 1.972 -3.333 1000 1HG1 ILE 36 1HG1 ILE 36 12.103 1.960 -2.929 1001 2HG1 ILE 36 2HG1 ILE 36 13.155 0.549 -2.819 1002 1HG2 ILE 36 1HG2 ILE 36 13.112 4.185 -3.853 1003 2HG2 ILE 36 2HG2 ILE 36 14.127 4.119 -2.413 1004 3HG2 ILE 36 3HG2 ILE 36 14.876 4.307 -3.991 1005 1HD1 ILE 36 1HD1 ILE 36 14.375 1.654 -0.918 1006 2HD1 ILE 36 2HD1 ILE 36 13.134 2.931 -0.925 1007 3HD1 ILE 36 3HD1 ILE 36 12.670 1.270 -0.596 1008 H ASN 37 H ASN 37 16.312 1.943 -5.639 1009 HA ASN 37 HA ASN 37 16.709 4.479 -6.775 1010 1HB ASN 37 1HB ASN 37 18.105 1.810 -7.209 1011 2HB ASN 37 2HB ASN 37 18.577 3.251 -8.122 1012 1HD2 ASN 37 2HD2 ASN 37 18.159 2.149 -4.707 1013 2HD2 ASN 37 1HD2 ASN 37 19.494 3.135 -4.111 1014 H ASN 38 H ASN 38 15.906 1.432 -8.437 1015 HA ASN 38 HA ASN 38 16.109 2.586 -11.067 1016 1HB ASN 38 1HB ASN 38 16.685 0.234 -10.437 1017 2HB ASN 38 2HB ASN 38 14.953 -0.078 -10.154 1018 1HD2 ASN 38 1HD2 ASN 38 14.940 -1.735 -11.722 1019 2HD2 ASN 38 2HD2 ASN 38 15.059 -1.363 -13.443 1020 H GLU 39 H GLU 39 13.361 1.578 -8.942 1021 HA GLU 39 HA GLU 39 11.473 2.285 -11.092 1022 1HB GLU 39 1HB GLU 39 10.957 1.185 -8.323 1023 2HB GLU 39 2HB GLU 39 9.782 1.378 -9.623 1024 1HG GLU 39 1HG GLU 39 12.234 -0.452 -9.713 1025 2HG GLU 39 2HG GLU 39 10.578 -0.957 -9.380 1026 H LEU 40 H LEU 40 12.423 3.528 -7.862 1027 HA LEU 40 HA LEU 40 10.076 5.274 -7.789 1028 1HB LEU 40 1HB LEU 40 11.399 3.862 -5.861 1029 2HB LEU 40 2HB LEU 40 12.184 5.423 -5.694 1030 HG LEU 40 HG LEU 40 9.864 6.410 -5.348 1031 1HD1 LEU 40 1HD1 LEU 40 8.476 4.622 -6.447 1032 2HD1 LEU 40 2HD1 LEU 40 9.072 3.450 -5.256 1033 3HD1 LEU 40 3HD1 LEU 40 8.052 4.801 -4.742 1034 1HD2 LEU 40 1HD2 LEU 40 11.370 5.732 -3.480 1035 2HD2 LEU 40 2HD2 LEU 40 9.665 5.468 -3.054 1036 3HD2 LEU 40 3HD2 LEU 40 10.692 4.102 -3.535 1037 H SER 41 H SER 41 12.779 5.641 -9.520 1038 HA SER 41 HA SER 41 14.311 7.661 -8.671 1039 1HB SER 41 1HB SER 41 13.491 7.514 -11.575 1040 2HB SER 41 2HB SER 41 15.111 7.680 -10.876 1041 HG SER 41 HG SER 41 14.959 5.484 -10.237 1042 H HIS 42 H HIS 42 11.140 8.049 -10.227 1043 HA HIS 42 HA HIS 42 11.369 10.875 -10.757 1044 1HB HIS 42 1HB HIS 42 9.795 9.472 -11.948 1045 2HB HIS 42 2HB HIS 42 8.980 9.024 -10.453 1046 HD1 HIS 42 HD1 HIS 42 9.323 12.586 -10.008 1047 HD2 HIS 42 HD2 HIS 42 6.929 9.962 -12.269 1048 HE1 HIS 42 HE1 HIS 42 7.186 13.858 -10.594 1049 H PHE 43 H PHE 43 10.266 8.934 -7.955 1050 HA PHE 43 HA PHE 43 9.181 11.362 -6.636 1051 1HB PHE 43 1HB PHE 43 9.067 8.408 -6.026 1052 2HB PHE 43 2HB PHE 43 8.585 9.642 -4.872 1053 HD1 PHE 43 HD1 PHE 43 7.760 10.201 -8.476 1054 HD2 PHE 43 HD2 PHE 43 6.381 8.718 -4.670 1055 HE1 PHE 43 HE1 PHE 43 5.523 9.861 -9.423 1056 HE2 PHE 43 HE2 PHE 43 4.122 8.422 -5.606 1057 HZ PHE 43 HZ PHE 43 3.708 8.882 -8.033 1058 H LEU 44 H LEU 44 11.770 8.908 -6.132 1059 HA LEU 44 HA LEU 44 12.912 10.644 -3.969 1060 1HB LEU 44 1HB LEU 44 12.705 7.635 -4.162 1061 2HB LEU 44 2HB LEU 44 14.084 8.393 -3.370 1062 HG LEU 44 HG LEU 44 12.521 9.724 -1.925 1063 1HD1 LEU 44 1HD1 LEU 44 10.479 7.754 -3.064 1064 2HD1 LEU 44 2HD1 LEU 44 10.238 8.739 -1.596 1065 3HD1 LEU 44 3HD1 LEU 44 10.423 9.517 -3.163 1066 1HD2 LEU 44 1HD2 LEU 44 12.482 6.689 -1.681 1067 2HD2 LEU 44 2HD2 LEU 44 13.737 7.788 -1.078 1068 3HD2 LEU 44 3HD2 LEU 44 12.113 7.835 -0.379 1069 H GLU 45 H GLU 45 15.123 10.921 -3.972 1070 HA GLU 45 HA GLU 45 16.543 10.855 -6.480 1071 1HB GLU 45 1HB GLU 45 17.596 10.941 -3.618 1072 2HB GLU 45 2HB GLU 45 18.544 11.339 -5.043 1073 1HG GLU 45 1HG GLU 45 16.093 12.908 -4.096 1074 2HG GLU 45 2HG GLU 45 17.765 13.268 -3.675 1075 H GLU 46 H GLU 46 18.566 9.533 -6.816 1076 HA GLU 46 HA GLU 46 18.204 6.731 -6.338 1077 1HB GLU 46 1HB GLU 46 20.239 6.430 -7.465 1078 2HB GLU 46 2HB GLU 46 19.460 7.801 -8.258 1079 1HG GLU 46 1HG GLU 46 20.868 9.313 -6.752 1080 2HG GLU 46 2HG GLU 46 21.638 7.835 -6.159 1081 H ILE 47 H ILE 47 19.320 5.436 -4.957 1082 HA ILE 47 HA ILE 47 20.240 6.691 -2.413 1083 HB ILE 47 HB ILE 47 18.549 4.196 -2.300 1084 1HG1 ILE 47 1HG1 ILE 47 17.582 7.022 -2.688 1085 2HG1 ILE 47 2HG1 ILE 47 17.102 5.562 -3.581 1086 1HG2 ILE 47 1HG2 ILE 47 18.190 5.007 -0.043 1087 2HG2 ILE 47 2HG2 ILE 47 19.928 5.177 -0.372 1088 3HG2 ILE 47 3HG2 ILE 47 18.867 6.586 -0.441 1089 1HD1 ILE 47 1HD1 ILE 47 16.370 6.313 -0.725 1090 2HD1 ILE 47 2HD1 ILE 47 15.313 6.142 -2.132 1091 3HD1 ILE 47 3HD1 ILE 47 16.094 4.700 -1.431 1092 H LYS 48 H LYS 48 22.279 6.365 -3.262 1093 HA LYS 48 HA LYS 48 23.474 3.788 -3.675 1094 1HB LYS 48 1HB LYS 48 25.571 5.062 -3.617 1095 2HB LYS 48 2HB LYS 48 24.348 5.870 -4.605 1096 1HG LYS 48 1HG LYS 48 23.837 7.320 -2.510 1097 2HG LYS 48 2HG LYS 48 25.328 6.643 -1.829 1098 1HD LYS 48 1HD LYS 48 26.600 7.533 -3.747 1099 2HD LYS 48 2HD LYS 48 25.116 8.184 -4.459 1100 1HE LYS 48 1HE LYS 48 26.260 8.983 -1.733 1101 2HE LYS 48 2HE LYS 48 26.423 9.913 -3.232 1102 1HZ LYS 48 1HZ LYS 48 24.667 10.756 -1.913 1103 2HZ LYS 48 2HZ LYS 48 23.902 9.306 -1.860 1104 3HZ LYS 48 3HZ LYS 48 24.035 10.113 -3.291 1105 H GLU 49 H GLU 49 22.906 5.812 -0.840 1106 HA GLU 49 HA GLU 49 24.952 4.719 0.806 1107 1HB GLU 49 1HB GLU 49 22.467 6.297 1.582 1108 2HB GLU 49 2HB GLU 49 23.896 6.007 2.588 1109 1HG GLU 49 1HG GLU 49 25.306 7.132 0.814 1110 2HG GLU 49 2HG GLU 49 23.816 7.583 -0.031 1111 H GLN 50 H GLN 50 24.622 2.452 0.550 1112 HA GLN 50 HA GLN 50 22.582 0.868 1.147 1113 1HB GLN 50 1HB GLN 50 24.948 0.231 0.562 1114 2HB GLN 50 2HB GLN 50 25.326 0.211 2.284 1115 1HG GLN 50 1HG GLN 50 22.902 -1.376 1.406 1116 2HG GLN 50 2HG GLN 50 24.461 -1.918 0.803 1117 1HE2 GLN 50 2HE2 GLN 50 22.892 -1.028 3.972 1118 2HE2 GLN 50 1HE2 GLN 50 23.813 -2.229 4.862 1119 H GLU 51 H GLU 51 24.437 2.536 3.710 1120 HA GLU 51 HA GLU 51 23.264 1.183 5.923 1121 1HB GLU 51 1HB GLU 51 24.095 4.120 5.845 1122 2HB GLU 51 2HB GLU 51 23.971 3.059 7.254 1123 1HG GLU 51 1HG GLU 51 26.026 2.902 5.003 1124 2HG GLU 51 2HG GLU 51 26.301 3.277 6.702 1125 H VAL 52 H VAL 52 22.117 3.959 3.984 1126 HA VAL 52 HA VAL 52 19.824 4.447 5.704 1127 HB VAL 52 HB VAL 52 20.383 5.446 2.877 1128 1HG1 VAL 52 1HG1 VAL 52 18.002 5.601 3.435 1129 2HG1 VAL 52 2HG1 VAL 52 18.383 6.283 5.031 1130 3HG1 VAL 52 3HG1 VAL 52 18.712 7.209 3.562 1131 1HG2 VAL 52 1HG2 VAL 52 20.891 6.710 5.609 1132 2HG2 VAL 52 2HG2 VAL 52 22.139 6.196 4.455 1133 3HG2 VAL 52 3HG2 VAL 52 21.064 7.536 4.048 1134 H VAL 53 H VAL 53 20.423 2.769 2.529 1135 HA VAL 53 HA VAL 53 17.719 2.178 2.108 1136 HB VAL 53 HB VAL 53 18.251 0.876 0.409 1137 1HG1 VAL 53 1HG1 VAL 53 19.846 2.000 -0.854 1138 2HG1 VAL 53 2HG1 VAL 53 19.349 3.146 0.380 1139 3HG1 VAL 53 3HG1 VAL 53 20.897 2.294 0.531 1140 1HG2 VAL 53 1HG2 VAL 53 19.311 -1.043 1.146 1141 2HG2 VAL 53 2HG2 VAL 53 20.561 -0.286 0.134 1142 3HG2 VAL 53 3HG2 VAL 53 20.658 -0.170 1.872 1143 H ASP 54 H ASP 54 20.208 0.333 3.908 1144 HA ASP 54 HA ASP 54 18.514 -1.767 4.783 1145 1HB ASP 54 1HB ASP 54 20.941 -1.828 5.085 1146 2HB ASP 54 2HB ASP 54 20.865 -0.473 6.227 1147 H LYS 55 H LYS 55 19.252 1.446 6.374 1148 HA LYS 55 HA LYS 55 17.674 0.977 8.612 1149 1HB LYS 55 1HB LYS 55 19.287 2.830 8.333 1150 2HB LYS 55 2HB LYS 55 18.157 3.654 7.264 1151 1HG LYS 55 1HG LYS 55 16.698 3.004 9.681 1152 2HG LYS 55 2HG LYS 55 18.286 3.571 10.175 1153 1HD LYS 55 1HD LYS 55 16.807 5.453 10.101 1154 2HD LYS 55 2HD LYS 55 17.958 5.628 8.767 1155 1HE LYS 55 1HE LYS 55 16.236 4.806 7.169 1156 2HE LYS 55 2HE LYS 55 15.116 4.508 8.512 1157 1HZ LYS 55 1HZ LYS 55 15.124 6.841 8.955 1158 2HZ LYS 55 2HZ LYS 55 16.179 7.124 7.718 1159 3HZ LYS 55 3HZ LYS 55 14.668 6.548 7.400 1160 H VAL 56 H VAL 56 16.574 2.467 5.482 1161 HA VAL 56 HA VAL 56 13.898 2.888 6.467 1162 HB VAL 56 HB VAL 56 13.165 3.202 4.226 1163 1HG1 VAL 56 1HG1 VAL 56 14.377 5.051 5.341 1164 2HG1 VAL 56 2HG1 VAL 56 15.902 4.500 4.615 1165 3HG1 VAL 56 3HG1 VAL 56 14.595 5.083 3.583 1166 1HG2 VAL 56 1HG2 VAL 56 15.902 2.338 3.295 1167 2HG2 VAL 56 2HG2 VAL 56 14.406 1.414 3.040 1168 3HG2 VAL 56 3HG2 VAL 56 14.617 2.993 2.272 1169 H MET 57 H MET 57 15.552 0.037 5.060 1170 HA MET 57 HA MET 57 13.170 -1.544 4.924 1171 1HB MET 57 1HB MET 57 14.476 -3.032 4.078 1172 2HB MET 57 2HB MET 57 15.854 -1.951 4.245 1173 1HG MET 57 1HG MET 57 16.304 -3.042 6.511 1174 2HG MET 57 2HG MET 57 14.933 -4.090 6.181 1175 1HE MET 57 1HE MET 57 15.789 -4.474 2.790 1176 2HE MET 57 2HE MET 57 16.287 -6.135 3.150 1177 3HE MET 57 3HE MET 57 14.844 -5.459 3.935 1178 H GLU 58 H GLU 58 15.623 -1.149 7.574 1179 HA GLU 58 HA GLU 58 14.524 -2.895 9.434 1180 1HB GLU 58 1HB GLU 58 15.829 -0.172 9.984 1181 2HB GLU 58 2HB GLU 58 15.556 -1.482 11.129 1182 1HG GLU 58 1HG GLU 58 16.861 -2.970 9.553 1183 2HG GLU 58 2HG GLU 58 17.434 -1.514 8.753 1184 H THR 59 H THR 59 13.832 0.442 8.805 1185 HA THR 59 HA THR 59 11.905 1.003 10.780 1186 HB THR 59 HB THR 59 12.055 2.080 7.935 1187 HG1 THR 59 HG1 THR 59 13.951 2.357 9.100 1188 1HG2 THR 59 1HG2 THR 59 9.902 2.721 8.878 1189 2HG2 THR 59 2HG2 THR 59 10.697 3.267 10.376 1190 3HG2 THR 59 3HG2 THR 59 10.995 4.106 8.836 1191 H LEU 60 H LEU 60 11.442 -0.822 7.727 1192 HA LEU 60 HA LEU 60 8.563 -1.241 8.464 1193 1HB LEU 60 1HB LEU 60 9.969 -1.519 5.790 1194 2HB LEU 60 2HB LEU 60 8.318 -2.027 6.142 1195 HG LEU 60 HG LEU 60 8.018 -0.099 5.011 1196 1HD1 LEU 60 1HD1 LEU 60 6.825 1.343 6.491 1197 2HD1 LEU 60 2HD1 LEU 60 6.650 -0.315 7.088 1198 3HD1 LEU 60 3HD1 LEU 60 7.766 0.816 7.895 1199 1HD2 LEU 60 1HD2 LEU 60 10.250 0.865 5.075 1200 2HD2 LEU 60 2HD2 LEU 60 9.011 2.072 5.455 1201 3HD2 LEU 60 3HD2 LEU 60 10.001 1.393 6.756 1202 H ASP 61 H ASP 61 11.477 -2.731 8.985 1203 HA ASP 61 HA ASP 61 10.882 -5.343 7.951 1204 1HB ASP 61 1HB ASP 61 13.163 -4.556 8.233 1205 2HB ASP 61 2HB ASP 61 12.925 -4.442 9.991 1206 H SER 62 H SER 62 8.616 -5.266 8.967 1207 HA SER 62 HA SER 62 8.102 -5.944 11.666 1208 1HB SER 62 1HB SER 62 6.046 -6.960 10.790 1209 2HB SER 62 2HB SER 62 6.371 -5.429 9.945 1210 HG SER 62 HG SER 62 5.889 -7.007 8.424 1211 H ASP 63 H ASP 63 9.324 -7.849 8.973 1212 HA ASP 63 HA ASP 63 9.001 -10.439 10.104 1213 1HB ASP 63 1HB ASP 63 11.068 -9.472 8.066 1214 2HB ASP 63 2HB ASP 63 10.572 -11.140 8.353 1215 H GLY 64 H GLY 64 11.267 -7.902 10.891 1216 1HA GLY 64 1HA GLY 64 13.188 -7.805 12.094 1217 2HA GLY 64 2HA GLY 64 12.564 -9.202 12.984 1218 H ASP 65 H ASP 65 13.296 -9.324 9.525 1219 HA ASP 65 HA ASP 65 15.528 -11.254 10.059 1220 1HB ASP 65 1HB ASP 65 13.370 -12.343 9.435 1221 2HB ASP 65 2HB ASP 65 13.343 -11.387 7.949 1222 H GLY 66 H GLY 66 15.361 -8.250 9.398 1223 1HA GLY 66 1HA GLY 66 16.600 -6.819 8.132 1224 2HA GLY 66 2HA GLY 66 17.326 -8.159 7.226 1225 H GLU 67 H GLU 67 15.639 -9.400 5.884 1226 HA GLU 67 HA GLU 67 14.785 -7.748 3.834 1227 1HB GLU 67 1HB GLU 67 13.579 -9.686 2.923 1228 2HB GLU 67 2HB GLU 67 15.195 -10.070 3.499 1229 1HG GLU 67 1HG GLU 67 13.816 -11.869 4.172 1230 2HG GLU 67 2HG GLU 67 14.192 -10.971 5.634 1231 H CYS 68 H CYS 68 12.731 -7.196 2.973 1232 HA CYS 68 HA CYS 68 10.559 -6.754 5.025 1233 1HB CYS 68 1HB CYS 68 11.586 -5.102 2.698 1234 2HB CYS 68 2HB CYS 68 9.895 -4.956 3.228 1235 HG CYS 68 HG CYS 68 12.514 -4.823 5.220 1236 H ASP 69 H ASP 69 8.762 -8.025 4.675 1237 HA ASP 69 HA ASP 69 8.634 -9.572 2.231 1238 1HB ASP 69 1HB ASP 69 7.028 -10.856 3.138 1239 2HB ASP 69 2HB ASP 69 7.931 -10.355 4.576 1240 H PHE 70 H PHE 70 6.528 -9.723 1.004 1241 HA PHE 70 HA PHE 70 5.999 -7.494 -0.457 1242 1HB PHE 70 1HB PHE 70 5.224 -9.795 -0.936 1243 2HB PHE 70 2HB PHE 70 3.904 -9.609 0.184 1244 HD1 PHE 70 HD1 PHE 70 4.701 -9.578 -3.187 1245 HD2 PHE 70 HD2 PHE 70 2.347 -7.333 -0.374 1246 HE1 PHE 70 HE1 PHE 70 3.876 -8.144 -5.023 1247 HE2 PHE 70 HE2 PHE 70 1.536 -5.890 -2.204 1248 HZ PHE 70 HZ PHE 70 2.394 -6.211 -4.522 1249 H GLN 71 H GLN 71 4.186 -8.330 2.552 1250 HA GLN 71 HA GLN 71 2.327 -6.179 2.481 1251 1HB GLN 71 1HB GLN 71 3.666 -7.628 4.798 1252 2HB GLN 71 2HB GLN 71 2.375 -6.455 5.018 1253 1HG GLN 71 1HG GLN 71 1.965 -8.843 3.178 1254 2HG GLN 71 2HG GLN 71 1.787 -8.974 4.927 1255 1HE2 GLN 71 1HE2 GLN 71 0.181 -7.810 1.993 1256 2HE2 GLN 71 2HE2 GLN 71 -1.195 -7.138 2.866 1257 H GLU 72 H GLU 72 5.714 -6.272 3.659 1258 HA GLU 72 HA GLU 72 5.513 -3.617 4.872 1259 1HB GLU 72 1HB GLU 72 7.917 -5.420 4.315 1260 2HB GLU 72 2HB GLU 72 7.924 -3.971 5.318 1261 1HG GLU 72 1HG GLU 72 6.487 -6.590 5.846 1262 2HG GLU 72 2HG GLU 72 7.766 -5.859 6.792 1263 H PHE 73 H PHE 73 6.868 -5.023 1.925 1264 HA PHE 73 HA PHE 73 7.866 -2.622 0.719 1265 1HB PHE 73 1HB PHE 73 8.336 -4.581 -0.427 1266 2HB PHE 73 2HB PHE 73 6.722 -5.233 -0.258 1267 HD1 PHE 73 HD1 PHE 73 8.783 -2.793 -2.175 1268 HD2 PHE 73 HD2 PHE 73 4.989 -4.843 -1.903 1269 HE1 PHE 73 HE1 PHE 73 8.257 -2.180 -4.528 1270 HE2 PHE 73 HE2 PHE 73 4.452 -4.150 -4.216 1271 HZ PHE 73 HZ PHE 73 6.157 -2.888 -5.569 1272 H MET 74 H MET 74 4.591 -4.097 0.687 1273 HA MET 74 HA MET 74 3.400 -2.056 -0.787 1274 1HB MET 74 1HB MET 74 2.559 -4.415 -0.344 1275 2HB MET 74 2HB MET 74 1.960 -3.830 1.219 1276 1HG MET 74 1HG MET 74 0.222 -3.834 -0.448 1277 2HG MET 74 2HG MET 74 0.565 -2.153 -0.008 1278 1HE MET 74 1HE MET 74 -0.558 -1.912 -3.739 1279 2HE MET 74 2HE MET 74 -1.163 -3.091 -2.553 1280 3HE MET 74 3HE MET 74 -0.860 -1.402 -2.060 1281 H ALA 75 H ALA 75 3.775 -2.386 2.722 1282 HA ALA 75 HA ALA 75 2.253 -0.102 3.492 1283 1HB ALA 75 1HB ALA 75 3.085 -1.801 5.088 1284 2HB ALA 75 2HB ALA 75 4.749 -1.226 4.836 1285 3HB ALA 75 3HB ALA 75 3.541 -0.152 5.564 1286 H PHE 76 H PHE 76 5.695 -0.448 2.550 1287 HA PHE 76 HA PHE 76 6.432 2.290 2.935 1288 1HB PHE 76 1HB PHE 76 8.119 0.609 2.733 1289 2HB PHE 76 2HB PHE 76 7.579 0.181 1.117 1290 HD1 PHE 76 HD1 PHE 76 8.939 3.113 3.075 1291 HD2 PHE 76 HD2 PHE 76 8.513 1.175 -0.770 1292 HE1 PHE 76 HE1 PHE 76 10.446 4.791 2.040 1293 HE2 PHE 76 HE2 PHE 76 10.020 2.841 -1.778 1294 HZ PHE 76 HZ PHE 76 10.957 4.680 -0.406 1295 H VAL 77 H VAL 77 5.348 0.480 0.029 1296 HA VAL 77 HA VAL 77 5.146 2.608 -1.801 1297 HB VAL 77 HB VAL 77 3.538 0.067 -1.424 1298 1HG1 VAL 77 1HG1 VAL 77 2.052 1.565 -2.662 1299 2HG1 VAL 77 2HG1 VAL 77 3.378 2.041 -3.746 1300 3HG1 VAL 77 3HG1 VAL 77 2.738 0.385 -3.778 1301 1HG2 VAL 77 1HG2 VAL 77 4.839 -0.746 -3.316 1302 2HG2 VAL 77 2HG2 VAL 77 5.603 0.843 -3.531 1303 3HG2 VAL 77 3HG2 VAL 77 5.966 -0.131 -2.099 1304 H ALA 78 H ALA 78 2.702 1.480 0.616 1305 HA ALA 78 HA ALA 78 0.714 3.311 -0.114 1306 1HB ALA 78 1HB ALA 78 0.294 1.347 1.306 1307 2HB ALA 78 2HB ALA 78 1.169 2.123 2.647 1308 3HB ALA 78 3HB ALA 78 -0.331 2.838 2.028 1309 H MET 79 H MET 79 3.203 3.738 2.480 1310 HA MET 79 HA MET 79 2.270 6.357 3.157 1311 1HB MET 79 1HB MET 79 4.477 6.780 4.143 1312 2HB MET 79 2HB MET 79 3.717 5.285 4.701 1313 1HG MET 79 1HG MET 79 5.158 3.958 3.353 1314 2HG MET 79 2HG MET 79 5.845 5.382 2.536 1315 1HE MET 79 1HE MET 79 6.950 4.219 6.819 1316 2HE MET 79 2HE MET 79 5.379 4.976 6.461 1317 3HE MET 79 3HE MET 79 5.746 3.346 5.834 1318 H ILE 80 H ILE 80 4.709 5.333 0.734 1319 HA ILE 80 HA ILE 80 5.512 7.951 -0.057 1320 HB ILE 80 HB ILE 80 5.411 5.304 -1.554 1321 1HG1 ILE 80 1HG1 ILE 80 6.875 5.466 0.542 1322 2HG1 ILE 80 2HG1 ILE 80 7.628 4.920 -0.953 1323 1HG2 ILE 80 1HG2 ILE 80 7.147 6.314 -3.060 1324 2HG2 ILE 80 2HG2 ILE 80 5.523 6.978 -3.253 1325 3HG2 ILE 80 3HG2 ILE 80 6.752 7.903 -2.362 1326 1HD1 ILE 80 1HD1 ILE 80 8.711 7.058 -1.238 1327 2HD1 ILE 80 2HD1 ILE 80 7.807 7.761 0.130 1328 3HD1 ILE 80 3HD1 ILE 80 8.997 6.475 0.410 1329 H THR 81 H THR 81 3.075 5.756 -1.412 1330 HA THR 81 HA THR 81 2.065 7.386 -3.471 1331 HB THR 81 HB THR 81 0.720 5.244 -1.754 1332 HG1 THR 81 HG1 THR 81 2.481 4.459 -2.824 1333 1HG2 THR 81 1HG2 THR 81 -1.057 6.297 -2.853 1334 2HG2 THR 81 2HG2 THR 81 -0.147 6.558 -4.345 1335 3HG2 THR 81 3HG2 THR 81 -0.667 4.922 -3.893 1336 H THR 82 H THR 82 1.060 7.105 -0.024 1337 HA THR 82 HA THR 82 -1.104 8.953 -0.216 1338 HB THR 82 HB THR 82 0.553 8.158 2.204 1339 HG1 THR 82 HG1 THR 82 -0.427 6.417 1.150 1340 1HG2 THR 82 1HG2 THR 82 -0.818 10.177 2.657 1341 2HG2 THR 82 2HG2 THR 82 -2.245 9.364 1.984 1342 3HG2 THR 82 3HG2 THR 82 -1.492 8.761 3.471 1343 H ALA 83 H ALA 83 2.360 9.464 0.745 1344 HA ALA 83 HA ALA 83 2.130 12.255 1.196 1345 1HB ALA 83 1HB ALA 83 4.556 12.315 0.715 1346 2HB ALA 83 2HB ALA 83 4.123 10.960 1.782 1347 3HB ALA 83 3HB ALA 83 4.476 10.669 0.066 1348 H CYS 84 H CYS 84 2.824 10.462 -1.855 1349 HA CYS 84 HA CYS 84 2.999 12.796 -3.488 1350 1HB CYS 84 1HB CYS 84 3.840 10.697 -4.284 1351 2HB CYS 84 2HB CYS 84 2.206 9.975 -4.276 1352 HG CYS 84 HG CYS 84 3.098 10.685 -6.724 1353 H HIS 85 H HIS 85 0.150 10.803 -2.600 1354 HA HIS 85 HA HIS 85 -1.678 12.211 -4.221 1355 1HB HIS 85 1HB HIS 85 -2.132 10.061 -3.147 1356 2HB HIS 85 2HB HIS 85 -2.195 10.835 -1.561 1357 HD1 HIS 85 HD1 HIS 85 -4.775 9.801 -1.539 1358 HD2 HIS 85 HD2 HIS 85 -3.911 12.780 -4.385 1359 HE1 HIS 85 HE1 HIS 85 -6.986 10.671 -2.383 1360 H GLU 86 H GLU 86 -0.752 12.752 -0.788 1361 HA GLU 86 HA GLU 86 -2.341 15.013 -0.234 1362 1HB GLU 86 1HB GLU 86 0.447 14.213 0.707 1363 2HB GLU 86 2HB GLU 86 -0.438 15.589 1.356 1364 1HG GLU 86 1HG GLU 86 -2.268 14.167 2.106 1365 2HG GLU 86 2HG GLU 86 -1.498 12.739 1.407 1366 H PHE 87 H PHE 87 0.883 14.835 -1.766 1367 HA PHE 87 HA PHE 87 1.250 17.655 -2.195 1368 1HB PHE 87 1HB PHE 87 3.164 16.470 -2.563 1369 2HB PHE 87 2HB PHE 87 2.342 15.110 -3.311 1370 HD1 PHE 87 HD1 PHE 87 3.217 14.640 -5.399 1371 HD2 PHE 87 HD2 PHE 87 2.502 18.739 -4.277 1372 HE1 PHE 87 HE1 PHE 87 3.993 15.385 -7.622 1373 HE2 PHE 87 HE2 PHE 87 3.276 19.485 -6.511 1374 HZ PHE 87 HZ PHE 87 4.030 17.808 -8.188 1375 H PHE 88 H PHE 88 0.005 15.131 -4.344 1376 HA PHE 88 HA PHE 88 -0.556 16.703 -6.577 1377 1HB PHE 88 1HB PHE 88 -0.328 14.285 -6.511 1378 2HB PHE 88 2HB PHE 88 -1.805 14.130 -5.544 1379 HD1 PHE 88 HD1 PHE 88 -3.991 14.148 -6.541 1380 HD2 PHE 88 HD2 PHE 88 -0.488 14.993 -8.892 1381 HE1 PHE 88 HE1 PHE 88 -5.323 13.847 -8.614 1382 HE2 PHE 88 HE2 PHE 88 -1.823 14.693 -10.982 1383 HZ PHE 88 HZ PHE 88 -4.237 14.104 -10.837 1384 H GLU 89 H GLU 89 -2.651 15.955 -3.781 1385 HA GLU 89 HA GLU 89 -5.052 17.136 -4.784 1386 1HB GLU 89 1HB GLU 89 -3.949 16.651 -1.993 1387 2HB GLU 89 2HB GLU 89 -5.516 17.438 -2.246 1388 1HG GLU 89 1HG GLU 89 -6.445 15.557 -3.356 1389 2HG GLU 89 2HG GLU 89 -4.862 14.799 -3.579 1390 H HIS 90 H HIS 90 -2.485 18.596 -2.663 1391 HA HIS 90 HA HIS 90 -3.857 21.189 -2.948 1392 1HB HIS 90 1HB HIS 90 -2.869 20.407 -0.811 1393 2HB HIS 90 2HB HIS 90 -1.262 20.526 -1.545 1394 HD1 HIS 90 HD1 HIS 90 -0.171 22.743 -0.752 1395 HD2 HIS 90 HD2 HIS 90 -4.340 22.985 -1.271 1396 HE1 HIS 90 HE1 HIS 90 -0.840 25.143 -0.203 1397 H GLU 91 H GLU 91 -3.581 20.944 -5.348 1398 HA GLU 91 HA GLU 91 -1.120 21.267 -6.673 1399 1HB GLU 91 1HB GLU 91 -3.833 22.436 -7.447 1400 2HB GLU 91 2HB GLU 91 -2.431 22.261 -8.515 1401 1HG GLU 91 1HG GLU 91 -2.483 19.774 -8.113 1402 2HG GLU 91 2HG GLU 91 -3.982 19.983 -7.198 1403 1H LYS 62 H1 LYS 62 -36.254 -24.096 23.893 1404 2H LYS 62 H2 LYS 62 -34.706 -23.834 23.369 1405 3H LYS 62 H3 LYS 62 -35.393 -25.315 23.191 1406 HA LYS 62 HA LYS 62 -37.002 -24.462 21.678 1407 1HB LYS 62 1HB LYS 62 -35.393 -21.881 21.901 1408 2HB LYS 62 2HB LYS 62 -36.734 -22.188 20.784 1409 1HG LYS 62 1HG LYS 62 -38.255 -22.535 22.745 1410 2HG LYS 62 2HG LYS 62 -36.913 -22.088 23.824 1411 1HD LYS 62 1HD LYS 62 -36.753 -19.867 22.724 1412 2HD LYS 62 2HD LYS 62 -38.048 -20.322 21.605 1413 1HE LYS 62 1HE LYS 62 -38.960 -18.919 23.367 1414 2HE LYS 62 2HE LYS 62 -39.634 -20.550 23.504 1415 1HZ LYS 62 1HZ LYS 62 -38.072 -20.979 25.259 1416 2HZ LYS 62 2HZ LYS 62 -37.411 -19.476 25.103 1417 3HZ LYS 62 3HZ LYS 62 -38.968 -19.645 25.612 1418 H ARG 63 H ARG 63 -36.452 -24.014 19.327 1419 HA ARG 63 HA ARG 63 -33.630 -24.512 18.560 1420 1HB ARG 63 1HB ARG 63 -36.028 -26.199 17.698 1421 2HB ARG 63 2HB ARG 63 -34.445 -26.247 16.920 1422 1HG ARG 63 1HG ARG 63 -34.953 -26.999 19.835 1423 2HG ARG 63 2HG ARG 63 -34.828 -28.126 18.486 1424 1HD ARG 63 1HD ARG 63 -32.534 -27.374 18.001 1425 2HD ARG 63 2HD ARG 63 -32.587 -26.240 19.345 1426 HE ARG 63 HE ARG 63 -32.227 -29.126 19.428 1427 1HH1 ARG 63 2HH2 ARG 63 -33.266 -26.326 21.372 1428 2HH1 ARG 63 1HH2 ARG 63 -32.786 -27.057 22.880 1429 1HH2 ARG 63 2HH1 ARG 63 -31.665 -30.071 21.405 1430 2HH2 ARG 63 1HH1 ARG 63 -31.900 -29.220 22.906 1431 H LEU 64 H LEU 64 -34.212 -22.132 18.350 1432 HA LEU 64 HA LEU 64 -35.862 -21.379 16.055 1433 1HB LEU 64 1HB LEU 64 -33.868 -19.745 17.669 1434 2HB LEU 64 2HB LEU 64 -35.102 -19.122 16.566 1435 HG LEU 64 HG LEU 64 -35.600 -20.585 19.204 1436 1HD1 LEU 64 1HD1 LEU 64 -36.030 -17.683 18.395 1437 2HD1 LEU 64 2HD1 LEU 64 -36.427 -18.405 19.969 1438 3HD1 LEU 64 3HD1 LEU 64 -34.736 -18.288 19.451 1439 1HD2 LEU 64 1HD2 LEU 64 -37.440 -21.109 17.671 1440 2HD2 LEU 64 2HD2 LEU 64 -37.985 -19.914 18.849 1441 3HD2 LEU 64 3HD2 LEU 64 -37.574 -19.398 17.201 1442 H ARG 65 H ARG 65 -34.552 -23.092 14.846 1443 HA ARG 65 HA ARG 65 -33.191 -23.698 13.196 1444 1HB ARG 65 1HB ARG 65 -33.749 -21.607 12.063 1445 2HB ARG 65 2HB ARG 65 -32.418 -20.771 12.879 1446 1HG ARG 65 1HG ARG 65 -30.773 -22.256 11.801 1447 2HG ARG 65 2HG ARG 65 -32.076 -23.225 11.097 1448 1HD ARG 65 1HD ARG 65 -31.086 -21.763 9.459 1449 2HD ARG 65 2HD ARG 65 -32.781 -21.310 9.716 1450 HE ARG 65 HE ARG 65 -31.432 -19.671 11.454 1451 1HH1 ARG 65 2HH2 ARG 65 -31.038 -20.309 7.969 1452 2HH1 ARG 65 1HH2 ARG 65 -30.578 -18.668 7.611 1453 1HH2 ARG 65 2HH1 ARG 65 -30.803 -17.551 10.961 1454 2HH2 ARG 65 1HH1 ARG 65 -30.409 -17.089 9.329 1455 H ARG 66 H ARG 66 -31.360 -21.176 14.962 1456 HA ARG 66 HA ARG 66 -29.428 -21.155 16.063 1457 1HB ARG 66 1HB ARG 66 -30.379 -23.119 17.225 1458 2HB ARG 66 2HB ARG 66 -29.485 -24.200 16.148 1459 1HG ARG 66 1HG ARG 66 -27.353 -23.375 16.929 1460 2HG ARG 66 2HG ARG 66 -28.120 -22.064 17.843 1461 1HD ARG 66 1HD ARG 66 -28.538 -25.027 18.365 1462 2HD ARG 66 2HD ARG 66 -27.436 -23.988 19.289 1463 HE ARG 66 HE ARG 66 -29.589 -22.548 19.634 1464 1HH1 ARG 66 1HH2 ARG 66 -29.367 -26.073 19.922 1465 2HH1 ARG 66 2HH2 ARG 66 -30.870 -26.228 20.783 1466 1HH2 ARG 66 2HH1 ARG 66 -31.510 -22.731 20.750 1467 2HH2 ARG 66 1HH1 ARG 66 -32.217 -24.278 21.116 1468 H SER 67 H SER 67 -29.285 -23.757 13.605 1469 HA SER 67 HA SER 67 -26.546 -23.204 12.803 1470 1HB SER 67 1HB SER 67 -28.804 -24.663 11.364 1471 2HB SER 67 2HB SER 67 -27.090 -24.682 10.914 1472 HG SER 67 HG SER 67 -28.130 -25.540 13.427 1473 H ALA 68 H ALA 68 -27.015 -20.807 12.826 1474 HA ALA 68 HA ALA 68 -28.586 -19.565 10.804 1475 1HB ALA 68 1HB ALA 68 -27.948 -18.451 12.884 1476 2HB ALA 68 2HB ALA 68 -26.237 -18.484 12.407 1477 3HB ALA 68 3HB ALA 68 -27.403 -17.514 11.480 1478 H HIS 69 H HIS 69 -27.878 -20.970 9.034 1479 HA HIS 69 HA HIS 69 -25.295 -20.840 7.858 1480 1HB HIS 69 1HB HIS 69 -26.375 -22.098 6.041 1481 2HB HIS 69 2HB HIS 69 -26.837 -22.705 7.623 1482 HD1 HIS 69 HD1 HIS 69 -28.316 -20.266 5.014 1483 HD2 HIS 69 HD2 HIS 69 -29.421 -22.951 8.048 1484 HE1 HIS 69 HE1 HIS 69 -30.891 -20.362 5.011 1485 H ALA 70 H ALA 70 -25.819 -18.168 8.221 1486 HA ALA 70 HA ALA 70 -26.934 -16.954 5.787 1487 1HB ALA 70 1HB ALA 70 -27.413 -15.997 7.996 1488 2HB ALA 70 2HB ALA 70 -25.678 -15.740 8.281 1489 3HB ALA 70 3HB ALA 70 -26.509 -14.852 6.985 1490 H ARG 71 H ARG 71 -25.129 -18.309 4.628 1491 HA ARG 71 HA ARG 71 -22.459 -17.117 4.602 1492 1HB ARG 71 1HB ARG 71 -23.872 -19.127 2.801 1493 2HB ARG 71 2HB ARG 71 -22.274 -18.493 2.452 1494 1HG ARG 71 1HG ARG 71 -21.872 -20.519 3.493 1495 2HG ARG 71 2HG ARG 71 -21.423 -19.266 4.646 1496 1HD ARG 71 1HD ARG 71 -22.605 -21.152 5.748 1497 2HD ARG 71 2HD ARG 71 -23.482 -19.648 5.920 1498 HE ARG 71 HE ARG 71 -25.230 -20.498 4.696 1499 1HH1 ARG 71 2HH1 ARG 71 -22.411 -22.563 4.150 1500 2HH1 ARG 71 1HH1 ARG 71 -23.297 -23.787 3.282 1501 1HH2 ARG 71 2HH2 ARG 71 -26.385 -22.057 3.534 1502 2HH2 ARG 71 1HH2 ARG 71 -25.604 -23.489 2.920 1503 H LYS 72 H LYS 72 -23.735 -14.923 4.488 1504 HA LYS 72 HA LYS 72 -24.594 -14.114 1.805 1505 1HB LYS 72 1HB LYS 72 -25.732 -13.337 3.830 1506 2HB LYS 72 2HB LYS 72 -24.252 -12.564 4.411 1507 1HG LYS 72 1HG LYS 72 -24.274 -11.020 2.499 1508 2HG LYS 72 2HG LYS 72 -25.643 -11.889 1.786 1509 1HD LYS 72 1HD LYS 72 -26.450 -9.863 2.792 1510 2HD LYS 72 2HD LYS 72 -27.063 -11.233 3.728 1511 1HE LYS 72 1HE LYS 72 -25.388 -10.832 5.484 1512 2HE LYS 72 2HE LYS 72 -24.590 -9.602 4.489 1513 1HZ LYS 72 1HZ LYS 72 -25.998 -8.637 6.132 1514 2HZ LYS 72 2HZ LYS 72 -26.562 -8.281 4.621 1515 3HZ LYS 72 3HZ LYS 72 -27.319 -9.424 5.539 1516 H GLU 73 H GLU 73 -22.094 -12.948 4.084 1517 HA GLU 73 HA GLU 73 -20.689 -11.281 2.313 1518 1HB GLU 73 1HB GLU 73 -19.632 -12.839 4.730 1519 2HB GLU 73 2HB GLU 73 -18.812 -11.515 3.906 1520 1HG GLU 73 1HG GLU 73 -19.773 -10.580 5.853 1521 2HG GLU 73 2HG GLU 73 -20.707 -9.987 4.478 1522 H THR 74 H THR 74 -20.459 -14.740 2.905 1523 HA THR 74 HA THR 74 -18.230 -15.623 1.672 1524 HB THR 74 HB THR 74 -20.990 -16.806 1.240 1525 HG1 THR 74 HG1 THR 74 -19.443 -16.822 3.626 1526 1HG2 THR 74 1HG2 THR 74 -18.283 -18.061 1.906 1527 2HG2 THR 74 2HG2 THR 74 -19.818 -18.935 1.721 1528 3HG2 THR 74 3HG2 THR 74 -19.100 -18.107 0.328 1529 H GLU 75 H GLU 75 -21.152 -14.291 -0.004 1530 HA GLU 75 HA GLU 75 -20.642 -15.229 -2.590 1531 1HB GLU 75 1HB GLU 75 -22.647 -13.957 -1.936 1532 2HB GLU 75 2HB GLU 75 -21.672 -12.508 -1.676 1533 1HG GLU 75 1HG GLU 75 -22.872 -12.406 -3.816 1534 2HG GLU 75 2HG GLU 75 -21.125 -12.389 -4.071 1535 H PHE 76 H PHE 76 -19.105 -12.537 -0.838 1536 HA PHE 76 HA PHE 76 -17.365 -11.924 -3.175 1537 1HB PHE 76 1HB PHE 76 -17.278 -10.391 -0.606 1538 2HB PHE 76 2HB PHE 76 -17.024 -9.845 -2.256 1539 HD1 PHE 76 HD1 PHE 76 -19.218 -10.085 -3.839 1540 HD2 PHE 76 HD2 PHE 76 -19.304 -10.020 0.462 1541 HE1 PHE 76 HE1 PHE 76 -21.689 -9.930 -3.869 1542 HE2 PHE 76 HE2 PHE 76 -21.763 -9.623 0.401 1543 HZ PHE 76 HZ PHE 76 -22.938 -9.528 -1.768 1544 H LEU 77 H LEU 77 -17.209 -12.707 0.334 1545 HA LEU 77 HA LEU 77 -14.354 -12.771 0.366 1546 1HB LEU 77 1HB LEU 77 -16.372 -13.987 2.274 1547 2HB LEU 77 2HB LEU 77 -14.628 -13.957 2.560 1548 HG LEU 77 HG LEU 77 -16.387 -11.486 2.227 1549 1HD1 LEU 77 1HD1 LEU 77 -16.744 -12.765 4.339 1550 2HD1 LEU 77 2HD1 LEU 77 -15.008 -12.648 4.685 1551 3HD1 LEU 77 3HD1 LEU 77 -16.004 -11.179 4.627 1552 1HD2 LEU 77 1HD2 LEU 77 -13.400 -11.765 2.851 1553 2HD2 LEU 77 2HD2 LEU 77 -14.126 -10.902 1.478 1554 3HD2 LEU 77 3HD2 LEU 77 -14.333 -10.283 3.110 1555 H ARG 78 H ARG 78 -16.607 -15.243 -0.738 1556 HA ARG 78 HA ARG 78 -14.904 -17.495 -0.639 1557 1HB ARG 78 1HB ARG 78 -17.165 -17.686 -1.366 1558 2HB ARG 78 2HB ARG 78 -16.878 -16.614 -2.758 1559 1HG ARG 78 1HG ARG 78 -15.382 -18.268 -3.763 1560 2HG ARG 78 2HG ARG 78 -15.466 -19.295 -2.320 1561 1HD ARG 78 1HD ARG 78 -17.779 -19.787 -2.675 1562 2HD ARG 78 2HD ARG 78 -17.959 -18.497 -3.856 1563 HE ARG 78 HE ARG 78 -16.918 -21.195 -4.270 1564 1HH1 ARG 78 1HH1 ARG 78 -16.882 -17.902 -5.549 1565 2HH1 ARG 78 2HH1 ARG 78 -16.478 -18.379 -7.174 1566 1HH2 ARG 78 2HH2 ARG 78 -16.376 -21.839 -6.387 1567 2HH2 ARG 78 1HH2 ARG 78 -16.182 -20.662 -7.656 1568 H LEU 79 H LEU 79 -14.888 -14.645 -2.871 1569 HA LEU 79 HA LEU 79 -12.958 -15.861 -4.664 1570 1HB LEU 79 1HB LEU 79 -13.966 -13.021 -4.284 1571 2HB LEU 79 2HB LEU 79 -12.658 -13.403 -5.389 1572 HG LEU 79 HG LEU 79 -14.895 -13.218 -6.453 1573 1HD1 LEU 79 1HD1 LEU 79 -13.022 -14.416 -7.529 1574 2HD1 LEU 79 2HD1 LEU 79 -13.588 -15.943 -6.816 1575 3HD1 LEU 79 3HD1 LEU 79 -14.604 -15.074 -7.975 1576 1HD2 LEU 79 1HD2 LEU 79 -16.260 -14.352 -4.705 1577 2HD2 LEU 79 2HD2 LEU 79 -16.510 -15.020 -6.327 1578 3HD2 LEU 79 3HD2 LEU 79 -15.523 -15.907 -5.169 1579 H LYS 80 H LYS 80 -12.752 -13.614 -1.895 1580 HA LYS 80 HA LYS 80 -9.933 -13.228 -2.052 1581 1HB LYS 80 1HB LYS 80 -11.464 -11.799 -0.745 1582 2HB LYS 80 2HB LYS 80 -11.777 -13.128 0.376 1583 1HG LYS 80 1HG LYS 80 -10.183 -11.473 1.251 1584 2HG LYS 80 2HG LYS 80 -9.470 -13.089 1.166 1585 1HD LYS 80 1HD LYS 80 -8.105 -12.515 -0.713 1586 2HD LYS 80 2HD LYS 80 -9.094 -11.094 -1.097 1587 1HE LYS 80 1HE LYS 80 -6.920 -10.464 -0.102 1588 2HE LYS 80 2HE LYS 80 -8.292 -9.911 0.873 1589 1HZ LYS 80 1HZ LYS 80 -7.925 -11.773 2.319 1590 2HZ LYS 80 2HZ LYS 80 -6.553 -10.871 2.195 1591 3HZ LYS 80 3HZ LYS 80 -6.671 -12.305 1.390 1592 H ARG 81 H ARG 81 -11.906 -15.551 -0.174 1593 HA ARG 81 HA ARG 81 -9.860 -16.991 1.098 1594 1HB ARG 81 1HB ARG 81 -12.274 -17.169 1.580 1595 2HB ARG 81 2HB ARG 81 -12.534 -17.983 0.028 1596 1HG ARG 81 1HG ARG 81 -11.076 -19.856 0.761 1597 2HG ARG 81 2HG ARG 81 -10.790 -19.024 2.306 1598 1HD ARG 81 1HD ARG 81 -13.209 -19.116 2.811 1599 2HD ARG 81 2HD ARG 81 -13.511 -19.896 1.235 1600 HE ARG 81 HE ARG 81 -11.576 -21.410 2.664 1601 1HH1 ARG 81 2HH2 ARG 81 -15.004 -20.606 2.775 1602 2HH1 ARG 81 1HH2 ARG 81 -15.487 -22.091 3.550 1603 1HH2 ARG 81 1HH1 ARG 81 -12.172 -23.366 3.675 1604 2HH2 ARG 81 2HH1 ARG 81 -13.836 -23.693 4.075 1605 H THR 82 H THR 82 -11.383 -17.561 -2.115 1606 HA THR 82 HA THR 82 -9.784 -19.810 -2.809 1607 HB THR 82 HB THR 82 -11.045 -17.738 -4.665 1608 HG1 THR 82 HG1 THR 82 -12.572 -18.674 -3.302 1609 1HG2 THR 82 1HG2 THR 82 -11.116 -19.628 -6.270 1610 2HG2 THR 82 2HG2 THR 82 -9.446 -19.213 -5.849 1611 3HG2 THR 82 3HG2 THR 82 -10.217 -20.640 -5.123 1612 H ARG 83 H ARG 83 -9.331 -16.285 -3.458 1613 HA ARG 83 HA ARG 83 -6.925 -16.537 -4.917 1614 1HB ARG 83 1HB ARG 83 -8.310 -14.574 -4.917 1615 2HB ARG 83 2HB ARG 83 -8.004 -14.274 -3.199 1616 1HG ARG 83 1HG ARG 83 -5.685 -13.792 -3.610 1617 2HG ARG 83 2HG ARG 83 -5.797 -14.291 -5.299 1618 1HD ARG 83 1HD ARG 83 -7.512 -12.017 -4.187 1619 2HD ARG 83 2HD ARG 83 -5.872 -11.755 -4.748 1620 HE ARG 83 HE ARG 83 -6.397 -12.309 -6.937 1621 1HH1 ARG 83 1HH1 ARG 83 -9.372 -12.360 -4.961 1622 2HH1 ARG 83 2HH1 ARG 83 -10.410 -12.355 -6.376 1623 1HH2 ARG 83 2HH2 ARG 83 -7.777 -12.538 -8.695 1624 2HH2 ARG 83 1HH2 ARG 83 -9.497 -12.697 -8.452 1625 H LEU 84 H LEU 84 -7.461 -16.360 -1.373 1626 HA LEU 84 HA LEU 84 -4.662 -16.310 -0.690 1627 1HB LEU 84 1HB LEU 84 -7.163 -17.149 0.808 1628 2HB LEU 84 2HB LEU 84 -5.570 -17.210 1.550 1629 HG LEU 84 HG LEU 84 -6.666 -14.635 0.359 1630 1HD1 LEU 84 1HD1 LEU 84 -7.295 -14.058 2.711 1631 2HD1 LEU 84 2HD1 LEU 84 -8.241 -15.409 2.069 1632 3HD1 LEU 84 3HD1 LEU 84 -6.907 -15.717 3.200 1633 1HD2 LEU 84 1HD2 LEU 84 -4.203 -14.698 0.777 1634 2HD2 LEU 84 2HD2 LEU 84 -5.011 -13.618 1.918 1635 3HD2 LEU 84 3HD2 LEU 84 -4.503 -15.233 2.440 1636 H GLY 85 H GLY 85 -6.475 -18.862 -2.122 1637 1HA GLY 85 1HA GLY 85 -4.229 -20.726 -1.644 1638 2HA GLY 85 2HA GLY 85 -5.834 -21.218 -1.086 1639 H LEU 86 H LEU 86 -4.597 -19.462 -3.998 1640 HA LEU 86 HA LEU 86 -6.713 -20.341 -5.585 1641 1HB LEU 86 1HB LEU 86 -5.149 -18.393 -6.010 1642 2HB LEU 86 2HB LEU 86 -3.973 -19.577 -6.611 1643 HG LEU 86 HG LEU 86 -5.415 -20.196 -8.454 1644 1HD1 LEU 86 1HD1 LEU 86 -7.499 -18.839 -8.907 1645 2HD1 LEU 86 2HD1 LEU 86 -7.662 -19.942 -7.543 1646 3HD1 LEU 86 3HD1 LEU 86 -7.393 -18.204 -7.253 1647 1HD2 LEU 86 1HD2 LEU 86 -5.360 -18.071 -9.688 1648 2HD2 LEU 86 2HD2 LEU 86 -5.156 -17.176 -8.166 1649 3HD2 LEU 86 3HD2 LEU 86 -3.890 -18.287 -8.733 1650 H GLU 87 H GLU 87 -3.627 -21.853 -4.963 1651 HA GLU 87 HA GLU 87 -4.630 -24.373 -6.170 1652 1HB GLU 87 1HB GLU 87 -1.739 -23.395 -6.337 1653 2HB GLU 87 2HB GLU 87 -2.352 -24.989 -6.809 1654 1HG GLU 87 1HG GLU 87 -3.926 -23.775 -8.430 1655 2HG GLU 87 2HG GLU 87 -2.985 -22.308 -8.111 1656 1H LYS 62 H1 LYS 62 20.747 12.667 21.673 1657 2H LYS 62 H2 LYS 62 21.068 12.701 20.052 1658 3H LYS 62 H3 LYS 62 21.218 14.072 20.967 1659 HA LYS 62 HA LYS 62 22.807 11.665 21.328 1660 1HB LYS 62 1HB LYS 62 24.676 12.841 20.281 1661 2HB LYS 62 2HB LYS 62 23.309 12.648 19.180 1662 1HG LYS 62 1HG LYS 62 22.648 15.067 19.779 1663 2HG LYS 62 2HG LYS 62 24.227 15.190 20.585 1664 1HD LYS 62 1HD LYS 62 25.334 14.549 18.437 1665 2HD LYS 62 2HD LYS 62 23.743 14.442 17.663 1666 1HE LYS 62 1HE LYS 62 23.383 16.890 18.247 1667 2HE LYS 62 2HE LYS 62 25.071 16.940 18.799 1668 1HZ LYS 62 1HZ LYS 62 24.126 16.266 16.099 1669 2HZ LYS 62 2HZ LYS 62 24.886 17.660 16.533 1670 3HZ LYS 62 3HZ LYS 62 25.698 16.218 16.575 1671 H ARG 63 H ARG 63 24.424 11.819 22.914 1672 HA ARG 63 HA ARG 63 23.880 13.810 25.066 1673 1HB ARG 63 1HB ARG 63 25.524 11.253 25.136 1674 2HB ARG 63 2HB ARG 63 25.074 12.264 26.508 1675 1HG ARG 63 1HG ARG 63 23.146 10.626 24.785 1676 2HG ARG 63 2HG ARG 63 23.764 10.196 26.376 1677 1HD ARG 63 1HD ARG 63 21.556 11.036 26.702 1678 2HD ARG 63 2HD ARG 63 22.688 12.254 27.326 1679 HE ARG 63 HE ARG 63 21.958 12.664 24.547 1680 1HH1 ARG 63 2HH2 ARG 63 20.673 13.192 27.782 1681 2HH1 ARG 63 1HH2 ARG 63 20.053 14.783 27.424 1682 1HH2 ARG 63 1HH1 ARG 63 21.361 14.761 24.110 1683 2HH2 ARG 63 2HH1 ARG 63 20.360 15.663 25.229 1684 H LEU 64 H LEU 64 26.712 12.351 23.389 1685 HA LEU 64 HA LEU 64 28.416 14.616 24.173 1686 1HB LEU 64 1HB LEU 64 28.834 12.435 22.087 1687 2HB LEU 64 2HB LEU 64 30.060 13.556 22.691 1688 HG LEU 64 HG LEU 64 28.650 11.391 24.327 1689 1HD1 LEU 64 1HD1 LEU 64 30.262 10.522 22.672 1690 2HD1 LEU 64 2HD1 LEU 64 31.515 11.606 23.316 1691 3HD1 LEU 64 3HD1 LEU 64 30.854 10.306 24.329 1692 1HD2 LEU 64 1HD2 LEU 64 30.847 13.363 25.109 1693 2HD2 LEU 64 2HD2 LEU 64 29.213 13.261 25.808 1694 3HD2 LEU 64 3HD2 LEU 64 30.365 11.948 26.066 1695 H ARG 65 H ARG 65 29.171 16.210 22.657 1696 HA ARG 65 HA ARG 65 27.167 17.056 20.714 1697 1HB ARG 65 1HB ARG 65 29.930 18.178 21.330 1698 2HB ARG 65 2HB ARG 65 28.680 18.952 20.354 1699 1HG ARG 65 1HG ARG 65 28.575 18.434 23.358 1700 2HG ARG 65 2HG ARG 65 28.765 19.970 22.515 1701 1HD ARG 65 1HD ARG 65 26.516 20.028 23.053 1702 2HD ARG 65 2HD ARG 65 26.480 19.424 21.391 1703 HE ARG 65 HE ARG 65 26.552 17.500 23.675 1704 1HH1 ARG 65 2HH2 ARG 65 24.520 18.960 21.145 1705 2HH1 ARG 65 1HH2 ARG 65 23.237 17.803 21.372 1706 1HH2 ARG 65 2HH1 ARG 65 24.917 16.105 23.993 1707 2HH2 ARG 65 1HH1 ARG 65 23.502 16.040 22.983 1708 H ARG 66 H ARG 66 27.602 14.742 19.725 1709 HA ARG 66 HA ARG 66 29.802 14.539 17.850 1710 1HB ARG 66 1HB ARG 66 28.642 12.573 18.790 1711 2HB ARG 66 2HB ARG 66 27.148 13.046 17.986 1712 1HG ARG 66 1HG ARG 66 28.331 11.241 16.799 1713 2HG ARG 66 2HG ARG 66 28.113 12.664 15.785 1714 1HD ARG 66 1HD ARG 66 30.344 11.612 15.533 1715 2HD ARG 66 2HD ARG 66 30.451 13.299 16.054 1716 HE ARG 66 HE ARG 66 30.415 11.528 18.324 1717 1HH1 ARG 66 2HH1 ARG 66 32.542 12.551 15.695 1718 2HH1 ARG 66 1HH1 ARG 66 34.012 12.277 16.587 1719 1HH2 ARG 66 1HH2 ARG 66 32.325 11.181 19.509 1720 2HH2 ARG 66 2HH2 ARG 66 33.885 11.477 18.793 1721 H SER 67 H SER 67 29.575 16.700 17.094 1722 HA SER 67 HA SER 67 27.262 17.741 15.843 1723 1HB SER 67 1HB SER 67 30.157 18.684 15.726 1724 2HB SER 67 2HB SER 67 28.728 19.661 15.375 1725 HG SER 67 HG SER 67 29.342 18.424 17.884 1726 H ALA 68 H ALA 68 27.734 15.334 14.464 1727 HA ALA 68 HA ALA 68 29.054 15.894 11.895 1728 1HB ALA 68 1HB ALA 68 29.217 13.671 12.944 1729 2HB ALA 68 2HB ALA 68 27.450 13.496 12.875 1730 3HB ALA 68 3HB ALA 68 28.397 13.584 11.374 1731 H HIS 69 H HIS 69 27.381 17.858 12.017 1732 HA HIS 69 HA HIS 69 24.628 17.285 11.504 1733 1HB HIS 69 1HB HIS 69 26.182 19.864 11.096 1734 2HB HIS 69 2HB HIS 69 24.424 19.714 11.199 1735 HD1 HIS 69 HD1 HIS 69 26.855 21.004 13.346 1736 HD2 HIS 69 HD2 HIS 69 23.958 17.974 13.743 1737 HE1 HIS 69 HE1 HIS 69 26.387 20.753 15.845 1738 H ALA 70 H ALA 70 27.080 16.786 9.328 1739 HA ALA 70 HA ALA 70 25.736 17.693 6.897 1740 1HB ALA 70 1HB ALA 70 27.996 15.700 7.352 1741 2HB ALA 70 2HB ALA 70 27.452 16.325 5.780 1742 3HB ALA 70 3HB ALA 70 28.174 17.427 6.968 1743 H ARG 71 H ARG 71 23.654 16.768 7.873 1744 HA ARG 71 HA ARG 71 23.258 13.903 7.898 1745 1HB ARG 71 1HB ARG 71 21.208 16.140 7.757 1746 2HB ARG 71 2HB ARG 71 20.897 14.470 8.237 1747 1HG ARG 71 1HG ARG 71 22.639 16.414 9.823 1748 2HG ARG 71 2HG ARG 71 20.932 16.101 10.088 1749 1HD ARG 71 1HD ARG 71 22.031 14.802 11.684 1750 2HD ARG 71 2HD ARG 71 21.474 13.668 10.463 1751 HE ARG 71 HE ARG 71 24.287 14.756 10.769 1752 1HH1 ARG 71 1HH1 ARG 71 22.240 11.942 9.988 1753 2HH1 ARG 71 2HH1 ARG 71 23.608 10.958 9.552 1754 1HH2 ARG 71 1HH2 ARG 71 25.954 13.491 10.388 1755 2HH2 ARG 71 2HH2 ARG 71 25.799 11.816 9.864 1756 H LYS 72 H LYS 72 24.415 14.152 5.537 1757 HA LYS 72 HA LYS 72 22.986 14.783 3.240 1758 1HB LYS 72 1HB LYS 72 24.472 13.187 2.081 1759 2HB LYS 72 2HB LYS 72 25.327 14.267 3.192 1760 1HG LYS 72 1HG LYS 72 25.419 12.424 4.893 1761 2HG LYS 72 2HG LYS 72 24.617 11.345 3.729 1762 1HD LYS 72 1HD LYS 72 26.484 11.667 2.143 1763 2HD LYS 72 2HD LYS 72 27.288 12.753 3.298 1764 1HE LYS 72 1HE LYS 72 27.410 10.911 4.959 1765 2HE LYS 72 2HE LYS 72 26.577 9.825 3.828 1766 1HZ LYS 72 1HZ LYS 72 29.184 11.094 3.370 1767 2HZ LYS 72 2HZ LYS 72 28.404 10.087 2.323 1768 3HZ LYS 72 3HZ LYS 72 28.929 9.518 3.777 1769 H GLU 73 H GLU 73 22.761 11.886 5.207 1770 HA GLU 73 HA GLU 73 21.286 10.124 3.708 1771 1HB GLU 73 1HB GLU 73 20.848 10.791 6.660 1772 2HB GLU 73 2HB GLU 73 20.366 9.319 5.819 1773 1HG GLU 73 1HG GLU 73 22.301 8.514 6.665 1774 2HG GLU 73 2HG GLU 73 23.005 9.230 5.216 1775 H THR 74 H THR 74 20.068 13.213 5.034 1776 HA THR 74 HA THR 74 17.299 12.520 4.877 1777 HB THR 74 HB THR 74 16.976 14.971 4.988 1778 HG1 THR 74 HG1 THR 74 19.789 15.184 5.026 1779 1HG2 THR 74 1HG2 THR 74 19.029 13.873 6.952 1780 2HG2 THR 74 2HG2 THR 74 17.264 13.746 7.074 1781 3HG2 THR 74 3HG2 THR 74 18.046 15.334 7.185 1782 H GLU 75 H GLU 75 19.613 13.369 2.393 1783 HA GLU 75 HA GLU 75 18.283 14.965 0.690 1784 1HB GLU 75 1HB GLU 75 19.765 14.201 -1.055 1785 2HB GLU 75 2HB GLU 75 20.614 14.288 0.489 1786 1HG GLU 75 1HG GLU 75 20.177 11.739 0.702 1787 2HG GLU 75 2HG GLU 75 19.669 11.811 -0.992 1788 H PHE 76 H PHE 76 17.813 11.416 0.676 1789 HA PHE 76 HA PHE 76 16.169 11.482 -1.698 1790 1HB PHE 76 1HB PHE 76 15.762 9.180 0.147 1791 2HB PHE 76 2HB PHE 76 16.098 9.222 -1.566 1792 HD1 PHE 76 HD1 PHE 76 17.523 9.079 1.833 1793 HD2 PHE 76 HD2 PHE 76 18.488 9.368 -2.367 1794 HE1 PHE 76 HE1 PHE 76 19.908 8.714 2.336 1795 HE2 PHE 76 HE2 PHE 76 20.871 9.086 -1.837 1796 HZ PHE 76 HZ PHE 76 21.576 8.653 0.529 1797 H LEU 77 H LEU 77 15.405 10.869 1.729 1798 HA LEU 77 HA LEU 77 12.578 10.870 1.465 1799 1HB LEU 77 1HB LEU 77 14.417 11.428 3.819 1800 2HB LEU 77 2HB LEU 77 12.663 11.281 3.987 1801 HG LEU 77 HG LEU 77 14.431 9.069 2.842 1802 1HD1 LEU 77 1HD1 LEU 77 13.380 9.436 5.679 1803 2HD1 LEU 77 2HD1 LEU 77 14.227 8.002 5.058 1804 3HD1 LEU 77 3HD1 LEU 77 15.080 9.552 5.167 1805 1HD2 LEU 77 1HD2 LEU 77 11.557 9.075 3.897 1806 2HD2 LEU 77 2HD2 LEU 77 12.046 8.842 2.205 1807 3HD2 LEU 77 3HD2 LEU 77 12.469 7.633 3.417 1808 H ARG 78 H ARG 78 14.869 13.510 1.835 1809 HA ARG 78 HA ARG 78 13.219 15.690 2.502 1810 1HB ARG 78 1HB ARG 78 15.424 15.981 2.592 1811 2HB ARG 78 2HB ARG 78 15.754 15.399 0.995 1812 1HG ARG 78 1HG ARG 78 14.222 17.972 1.682 1813 2HG ARG 78 2HG ARG 78 15.951 17.862 1.341 1814 1HD ARG 78 1HD ARG 78 13.673 17.605 -0.642 1815 2HD ARG 78 2HD ARG 78 15.086 18.612 -0.590 1816 HE ARG 78 HE ARG 78 15.558 15.685 -0.795 1817 1HH1 ARG 78 1HH2 ARG 78 15.235 18.641 -2.715 1818 2HH1 ARG 78 2HH2 ARG 78 16.144 17.976 -4.049 1819 1HH2 ARG 78 2HH1 ARG 78 16.713 14.894 -2.354 1820 2HH2 ARG 78 1HH1 ARG 78 16.913 15.704 -3.907 1821 H LEU 79 H LEU 79 13.264 13.936 -0.647 1822 HA LEU 79 HA LEU 79 11.547 15.959 -1.843 1823 1HB LEU 79 1HB LEU 79 12.005 13.049 -2.568 1824 2HB LEU 79 2HB LEU 79 11.053 14.201 -3.517 1825 HG LEU 79 HG LEU 79 14.016 14.523 -2.877 1826 1HD1 LEU 79 1HD1 LEU 79 12.591 13.691 -5.439 1827 2HD1 LEU 79 2HD1 LEU 79 14.323 14.048 -5.297 1828 3HD1 LEU 79 3HD1 LEU 79 13.634 12.682 -4.415 1829 1HD2 LEU 79 1HD2 LEU 79 13.887 16.279 -4.691 1830 2HD2 LEU 79 2HD2 LEU 79 12.120 16.150 -4.639 1831 3HD2 LEU 79 3HD2 LEU 79 13.025 16.738 -3.226 1832 H LYS 80 H LYS 80 10.912 13.046 0.102 1833 HA LYS 80 HA LYS 80 8.031 13.097 -0.183 1834 1HB LYS 80 1HB LYS 80 9.393 11.139 0.594 1835 2HB LYS 80 2HB LYS 80 9.655 11.997 2.122 1836 1HG LYS 80 1HG LYS 80 7.175 12.134 2.441 1837 2HG LYS 80 2HG LYS 80 6.961 11.180 0.954 1838 1HD LYS 80 1HD LYS 80 8.301 9.348 1.940 1839 2HD LYS 80 2HD LYS 80 8.555 10.320 3.404 1840 1HE LYS 80 1HE LYS 80 6.063 10.362 3.764 1841 2HE LYS 80 2HE LYS 80 5.874 9.258 2.387 1842 1HZ LYS 80 1HZ LYS 80 5.926 8.133 4.504 1843 2HZ LYS 80 2HZ LYS 80 7.192 7.661 3.565 1844 3HZ LYS 80 3HZ LYS 80 7.434 8.705 4.817 1845 H ARG 81 H ARG 81 10.380 14.381 2.217 1846 HA ARG 81 HA ARG 81 8.522 15.718 3.886 1847 1HB ARG 81 1HB ARG 81 11.328 16.689 3.231 1848 2HB ARG 81 2HB ARG 81 10.331 17.146 4.610 1849 1HG ARG 81 1HG ARG 81 10.321 14.735 5.359 1850 2HG ARG 81 2HG ARG 81 11.479 14.376 4.074 1851 1HD ARG 81 1HD ARG 81 12.996 16.190 5.097 1852 2HD ARG 81 2HD ARG 81 11.863 16.240 6.437 1853 HE ARG 81 HE ARG 81 12.524 14.162 7.187 1854 1HH1 ARG 81 2HH2 ARG 81 14.110 14.838 4.125 1855 2HH1 ARG 81 1HH2 ARG 81 15.247 13.536 4.203 1856 1HH2 ARG 81 2HH1 ARG 81 13.980 12.431 7.375 1857 2HH2 ARG 81 1HH1 ARG 81 15.149 12.109 6.124 1858 H THR 82 H THR 82 10.119 16.838 0.873 1859 HA THR 82 HA THR 82 8.992 19.449 0.872 1860 HB THR 82 HB THR 82 9.835 17.743 -1.510 1861 HG1 THR 82 HG1 THR 82 11.468 18.105 0.051 1862 1HG2 THR 82 1HG2 THR 82 9.447 20.751 -1.222 1863 2HG2 THR 82 2HG2 THR 82 10.190 19.931 -2.611 1864 3HG2 THR 82 3HG2 THR 82 8.479 19.661 -2.242 1865 H ARG 83 H ARG 83 7.763 16.349 -0.600 1866 HA ARG 83 HA ARG 83 5.405 17.523 -1.685 1867 1HB ARG 83 1HB ARG 83 6.159 14.719 -0.778 1868 2HB ARG 83 2HB ARG 83 4.564 15.087 -1.420 1869 1HG ARG 83 1HG ARG 83 5.556 15.969 -3.500 1870 2HG ARG 83 2HG ARG 83 7.188 15.646 -2.895 1871 1HD ARG 83 1HD ARG 83 5.072 13.480 -3.171 1872 2HD ARG 83 2HD ARG 83 6.141 13.901 -4.495 1873 HE ARG 83 HE ARG 83 6.805 12.540 -1.956 1874 1HH1 ARG 83 1HH1 ARG 83 8.133 14.013 -4.933 1875 2HH1 ARG 83 2HH1 ARG 83 9.587 13.028 -4.856 1876 1HH2 ARG 83 2HH2 ARG 83 8.828 11.397 -1.889 1877 2HH2 ARG 83 1HH2 ARG 83 9.975 11.657 -3.201 1878 H LEU 84 H LEU 84 6.064 16.219 1.600 1879 HA LEU 84 HA LEU 84 3.380 16.722 2.554 1880 1HB LEU 84 1HB LEU 84 6.035 16.086 3.806 1881 2HB LEU 84 2HB LEU 84 4.840 16.866 4.831 1882 HG LEU 84 HG LEU 84 4.835 14.418 5.010 1883 1HD1 LEU 84 1HD1 LEU 84 2.186 15.492 3.946 1884 2HD1 LEU 84 2HD1 LEU 84 2.436 14.117 5.027 1885 3HD1 LEU 84 3HD1 LEU 84 2.825 15.753 5.582 1886 1HD2 LEU 84 1HD2 LEU 84 3.695 14.385 2.183 1887 2HD2 LEU 84 2HD2 LEU 84 5.312 13.824 2.665 1888 3HD2 LEU 84 3HD2 LEU 84 3.867 13.007 3.285 1889 H GLY 85 H GLY 85 6.305 18.753 2.401 1890 1HA GLY 85 1HA GLY 85 5.255 21.012 3.801 1891 2HA GLY 85 2HA GLY 85 6.522 21.029 2.559 1892 H LEU 86 H LEU 86 5.097 19.986 0.387 1893 HA LEU 86 HA LEU 86 3.852 22.303 -0.633 1894 1HB LEU 86 1HB LEU 86 5.034 20.346 -1.845 1895 2HB LEU 86 2HB LEU 86 3.499 19.491 -1.756 1896 HG LEU 86 HG LEU 86 3.912 20.520 -3.909 1897 1HD1 LEU 86 1HD1 LEU 86 1.798 21.468 -4.335 1898 2HD1 LEU 86 2HD1 LEU 86 1.522 20.371 -2.973 1899 3HD1 LEU 86 3HD1 LEU 86 1.638 22.122 -2.704 1900 1HD2 LEU 86 1HD2 LEU 86 5.287 22.442 -3.152 1901 2HD2 LEU 86 2HD2 LEU 86 4.037 22.864 -4.337 1902 3HD2 LEU 86 3HD2 LEU 86 3.800 23.272 -2.634 1903 H GLU 87 H GLU 87 2.482 19.202 0.565 1904 HA GLU 87 HA GLU 87 -0.266 19.834 0.371 1905 1HB GLU 87 1HB GLU 87 0.508 17.640 0.993 1906 2HB GLU 87 2HB GLU 87 1.271 18.261 2.459 1907 1HG GLU 87 1HG GLU 87 -0.756 17.142 3.088 1908 2HG GLU 87 2HG GLU 87 -0.935 18.855 3.412 Start of MODEL 8 1 1H SER 1 1H SER 1 10.547 4.111 -13.511 2 2H SER 1 2H SER 1 9.319 4.020 -12.430 3 3H SER 1 3H SER 1 9.992 2.635 -13.031 4 HA SER 1 HA SER 1 8.530 4.605 -14.608 5 1HB SER 1 1HB SER 1 8.640 2.906 -16.413 6 2HB SER 1 2HB SER 1 10.248 3.483 -15.917 7 HG SER 1 HG SER 1 10.425 1.551 -14.621 8 H GLU 2 H GLU 2 8.076 1.164 -14.656 9 HA GLU 2 HA GLU 2 5.341 1.269 -14.793 10 1HB GLU 2 1HB GLU 2 6.881 -1.061 -13.566 11 2HB GLU 2 2HB GLU 2 5.303 -1.116 -14.362 12 1HG GLU 2 1HG GLU 2 8.006 -0.553 -15.667 13 2HG GLU 2 2HG GLU 2 6.958 -1.945 -15.898 14 H LEU 3 H LEU 3 7.115 0.555 -11.719 15 HA LEU 3 HA LEU 3 4.695 0.453 -10.175 16 1HB LEU 3 1HB LEU 3 7.392 1.320 -9.112 17 2HB LEU 3 2HB LEU 3 5.992 0.741 -8.205 18 HG LEU 3 HG LEU 3 7.723 -0.924 -10.080 19 1HD1 LEU 3 1HD1 LEU 3 8.708 -0.499 -7.872 20 2HD1 LEU 3 2HD1 LEU 3 7.190 -0.962 -7.075 21 3HD1 LEU 3 3HD1 LEU 3 8.131 -2.178 -7.952 22 1HD2 LEU 3 1HD2 LEU 3 5.452 -1.723 -10.372 23 2HD2 LEU 3 2HD2 LEU 3 6.272 -2.815 -9.248 24 3HD2 LEU 3 3HD2 LEU 3 5.143 -1.596 -8.622 25 H GLU 4 H GLU 4 6.633 3.203 -11.321 26 HA GLU 4 HA GLU 4 5.493 5.097 -9.469 27 1HB GLU 4 1HB GLU 4 7.674 5.180 -10.911 28 2HB GLU 4 2HB GLU 4 6.651 5.875 -12.164 29 1HG GLU 4 1HG GLU 4 6.154 7.784 -10.783 30 2HG GLU 4 2HG GLU 4 6.710 6.964 -9.316 31 H LYS 5 H LYS 5 4.794 3.947 -12.768 32 HA LYS 5 HA LYS 5 2.600 5.741 -13.309 33 1HB LYS 5 1HB LYS 5 3.116 2.971 -14.442 34 2HB LYS 5 2HB LYS 5 1.972 4.168 -15.055 35 1HG LYS 5 1HG LYS 5 5.007 4.386 -15.033 36 2HG LYS 5 2HG LYS 5 3.935 4.196 -16.417 37 1HD LYS 5 1HD LYS 5 2.911 6.468 -15.805 38 2HD LYS 5 2HD LYS 5 4.169 6.621 -14.564 39 1HE LYS 5 1HE LYS 5 4.877 7.840 -16.515 40 2HE LYS 5 2HE LYS 5 5.931 6.432 -16.308 41 1HZ LYS 5 1HZ LYS 5 5.252 6.757 -18.578 42 2HZ LYS 5 2HZ LYS 5 4.668 5.326 -18.012 43 3HZ LYS 5 3HZ LYS 5 3.661 6.622 -18.171 44 H ALA 6 H ALA 6 2.720 2.389 -12.073 45 HA ALA 6 HA ALA 6 -0.007 2.022 -11.506 46 1HB ALA 6 1HB ALA 6 0.817 0.398 -9.807 47 2HB ALA 6 2HB ALA 6 1.702 0.266 -11.344 48 3HB ALA 6 3HB ALA 6 2.443 1.083 -9.961 49 H VAL 7 H VAL 7 2.532 3.383 -9.363 50 HA VAL 7 HA VAL 7 0.941 4.020 -7.155 51 HB VAL 7 HB VAL 7 3.551 4.977 -8.285 52 1HG1 VAL 7 1HG1 VAL 7 2.841 7.060 -7.446 53 2HG1 VAL 7 2HG1 VAL 7 2.232 6.354 -5.940 54 3HG1 VAL 7 3HG1 VAL 7 3.969 6.341 -6.290 55 1HG2 VAL 7 1HG2 VAL 7 2.793 3.777 -5.597 56 2HG2 VAL 7 2HG2 VAL 7 3.303 2.824 -6.996 57 3HG2 VAL 7 3HG2 VAL 7 4.430 3.974 -6.255 58 H VAL 8 H VAL 8 1.767 6.293 -9.919 59 HA VAL 8 HA VAL 8 0.049 8.289 -8.801 60 HB VAL 8 HB VAL 8 0.108 9.467 -10.873 61 1HG1 VAL 8 1HG1 VAL 8 2.523 9.883 -10.924 62 2HG1 VAL 8 2HG1 VAL 8 1.949 9.686 -9.260 63 3HG1 VAL 8 3HG1 VAL 8 2.832 8.368 -10.058 64 1HG2 VAL 8 1HG2 VAL 8 1.410 8.706 -12.796 65 2HG2 VAL 8 2HG2 VAL 8 1.685 7.154 -11.995 66 3HG2 VAL 8 3HG2 VAL 8 0.048 7.610 -12.512 67 H ALA 9 H ALA 9 -0.611 5.588 -11.056 68 HA ALA 9 HA ALA 9 -3.260 6.307 -11.694 69 1HB ALA 9 1HB ALA 9 -3.624 3.994 -12.268 70 2HB ALA 9 2HB ALA 9 -2.020 4.503 -12.826 71 3HB ALA 9 3HB ALA 9 -2.184 3.480 -11.383 72 H LEU 10 H LEU 10 -2.074 4.384 -8.827 73 HA LEU 10 HA LEU 10 -4.675 3.832 -7.795 74 1HB LEU 10 1HB LEU 10 -2.096 4.364 -6.260 75 2HB LEU 10 2HB LEU 10 -3.560 3.645 -5.588 76 HG LEU 10 HG LEU 10 -1.801 2.399 -7.742 77 1HD1 LEU 10 1HD1 LEU 10 -1.213 0.803 -5.991 78 2HD1 LEU 10 2HD1 LEU 10 -0.814 2.451 -5.474 79 3HD1 LEU 10 3HD1 LEU 10 -2.274 1.650 -4.845 80 1HD2 LEU 10 1HD2 LEU 10 -3.170 0.357 -7.351 81 2HD2 LEU 10 2HD2 LEU 10 -4.293 1.328 -6.376 82 3HD2 LEU 10 3HD2 LEU 10 -4.078 1.660 -8.119 83 H ILE 11 H ILE 11 -2.527 6.644 -7.033 84 HA ILE 11 HA ILE 11 -4.540 7.774 -5.305 85 HB ILE 11 HB ILE 11 -3.253 9.854 -5.346 86 1HG1 ILE 11 1HG1 ILE 11 -1.260 8.362 -7.052 87 2HG1 ILE 11 2HG1 ILE 11 -2.330 9.634 -7.691 88 1HG2 ILE 11 1HG2 ILE 11 -1.603 7.329 -4.860 89 2HG2 ILE 11 2HG2 ILE 11 -1.316 8.921 -4.125 90 3HG2 ILE 11 3HG2 ILE 11 -2.784 8.051 -3.750 91 1HD1 ILE 11 1HD1 ILE 11 -1.349 11.224 -5.993 92 2HD1 ILE 11 2HD1 ILE 11 -0.136 9.977 -5.624 93 3HD1 ILE 11 3HD1 ILE 11 -0.225 10.665 -7.249 94 H ASP 12 H ASP 12 -3.822 8.256 -8.789 95 HA ASP 12 HA ASP 12 -5.616 10.447 -9.064 96 1HB ASP 12 1HB ASP 12 -3.848 10.006 -10.684 97 2HB ASP 12 2HB ASP 12 -4.617 8.478 -11.153 98 H VAL 13 H VAL 13 -6.078 6.953 -9.796 99 HA VAL 13 HA VAL 13 -8.796 7.084 -10.628 100 HB VAL 13 HB VAL 13 -7.215 4.902 -9.187 101 1HG1 VAL 13 1HG1 VAL 13 -9.562 4.487 -8.699 102 2HG1 VAL 13 2HG1 VAL 13 -10.012 4.775 -10.395 103 3HG1 VAL 13 3HG1 VAL 13 -9.035 3.361 -9.953 104 1HG2 VAL 13 1HG2 VAL 13 -6.529 5.502 -11.565 105 2HG2 VAL 13 2HG2 VAL 13 -7.138 3.848 -11.367 106 3HG2 VAL 13 3HG2 VAL 13 -8.178 5.103 -12.078 107 H PHE 14 H PHE 14 -7.317 6.588 -7.367 108 HA PHE 14 HA PHE 14 -9.732 6.452 -5.936 109 1HB PHE 14 1HB PHE 14 -7.531 5.949 -4.989 110 2HB PHE 14 2HB PHE 14 -7.057 7.638 -5.112 111 HD1 PHE 14 HD1 PHE 14 -9.167 5.235 -3.279 112 HD2 PHE 14 HD2 PHE 14 -7.998 9.375 -3.629 113 HE1 PHE 14 HE1 PHE 14 -10.012 5.695 -0.981 114 HE2 PHE 14 HE2 PHE 14 -8.701 9.766 -1.310 115 HZ PHE 14 HZ PHE 14 -9.761 7.939 0.011 116 H HIS 15 H HIS 15 -7.733 9.425 -6.569 117 HA HIS 15 HA HIS 15 -9.442 11.211 -5.331 118 1HB HIS 15 1HB HIS 15 -7.962 12.707 -5.925 119 2HB HIS 15 2HB HIS 15 -7.085 11.463 -6.786 120 HD1 HIS 15 HD1 HIS 15 -7.823 11.324 -9.551 121 HD2 HIS 15 HD2 HIS 15 -8.888 14.716 -7.301 122 HE1 HIS 15 HE1 HIS 15 -8.376 13.168 -11.225 123 H GLN 16 H GLN 16 -9.615 10.017 -8.698 124 HA GLN 16 HA GLN 16 -11.638 11.749 -9.593 125 1HB GLN 16 1HB GLN 16 -10.374 10.385 -11.133 126 2HB GLN 16 2HB GLN 16 -10.956 8.893 -10.391 127 1HG GLN 16 1HG GLN 16 -12.068 9.269 -12.498 128 2HG GLN 16 2HG GLN 16 -13.250 9.327 -11.197 129 1HE2 GLN 16 1HE2 GLN 16 -13.994 11.575 -10.477 130 2HE2 GLN 16 2HE2 GLN 16 -13.971 12.828 -11.706 131 H TYR 17 H TYR 17 -11.972 8.514 -8.027 132 HA TYR 17 HA TYR 17 -14.899 8.675 -8.141 133 1HB TYR 17 1HB TYR 17 -12.947 6.738 -6.880 134 2HB TYR 17 2HB TYR 17 -14.677 6.657 -6.581 135 HD1 TYR 17 HD1 TYR 17 -16.018 5.358 -7.967 136 HD2 TYR 17 HD2 TYR 17 -12.268 6.791 -9.514 137 HE1 TYR 17 HE1 TYR 17 -16.316 3.975 -10.020 138 HE2 TYR 17 HE2 TYR 17 -12.485 5.291 -11.456 139 HH TYR 17 HH TYR 17 -13.705 3.475 -12.381 140 H SER 18 H SER 18 -12.459 8.893 -5.518 141 HA SER 18 HA SER 18 -14.046 9.623 -3.354 142 1HB SER 18 1HB SER 18 -11.252 10.480 -4.189 143 2HB SER 18 2HB SER 18 -11.949 10.748 -2.582 144 HG SER 18 HG SER 18 -12.119 8.611 -2.272 145 H GLY 19 H GLY 19 -13.304 11.652 -6.201 146 1HA GLY 19 1HA GLY 19 -13.637 14.192 -5.094 147 2HA GLY 19 2HA GLY 19 -14.091 13.705 -6.735 148 H ARG 20 H ARG 20 -16.109 11.720 -5.919 149 HA ARG 20 HA ARG 20 -18.229 13.674 -5.963 150 1HB ARG 20 1HB ARG 20 -18.764 10.731 -5.711 151 2HB ARG 20 2HB ARG 20 -19.670 11.990 -6.548 152 1HG ARG 20 1HG ARG 20 -17.457 12.155 -8.051 153 2HG ARG 20 2HG ARG 20 -17.133 10.570 -7.375 154 1HD ARG 20 1HD ARG 20 -19.439 9.807 -8.110 155 2HD ARG 20 2HD ARG 20 -19.580 11.336 -8.980 156 HE ARG 20 HE ARG 20 -18.108 10.599 -10.582 157 1HH1 ARG 20 1HH1 ARG 20 -17.882 8.395 -7.774 158 2HH1 ARG 20 2HH1 ARG 20 -16.985 7.203 -8.664 159 1HH2 ARG 20 1HH2 ARG 20 -16.816 9.064 -11.652 160 2HH2 ARG 20 2HH2 ARG 20 -16.316 7.601 -10.845 161 H GLU 21 H GLU 21 -17.439 11.061 -3.606 162 HA GLU 21 HA GLU 21 -18.615 12.712 -1.449 163 1HB GLU 21 1HB GLU 21 -19.412 9.817 -1.904 164 2HB GLU 21 2HB GLU 21 -19.774 10.803 -0.479 165 1HG GLU 21 1HG GLU 21 -21.040 12.390 -1.966 166 2HG GLU 21 2HG GLU 21 -20.774 11.278 -3.321 167 H GLY 22 H GLY 22 -16.837 13.056 -0.322 168 1HA GLY 22 1HA GLY 22 -15.267 11.942 1.301 169 2HA GLY 22 2HA GLY 22 -14.776 10.913 -0.050 170 H ASP 23 H ASP 23 -15.431 13.705 -1.561 171 HA ASP 23 HA ASP 23 -14.317 15.465 -2.391 172 1HB ASP 23 1HB ASP 23 -13.622 15.811 0.555 173 2HB ASP 23 2HB ASP 23 -13.520 17.071 -0.680 174 H LYS 24 H LYS 24 -12.911 13.296 -2.927 175 HA LYS 24 HA LYS 24 -10.942 12.791 -3.951 176 1HB LYS 24 1HB LYS 24 -9.595 15.189 -2.714 177 2HB LYS 24 2HB LYS 24 -9.038 14.214 -4.058 178 1HG LYS 24 1HG LYS 24 -10.876 14.933 -5.477 179 2HG LYS 24 2HG LYS 24 -11.593 15.882 -4.178 180 1HD LYS 24 1HD LYS 24 -8.897 16.380 -5.512 181 2HD LYS 24 2HD LYS 24 -10.366 17.346 -5.671 182 1HE LYS 24 1HE LYS 24 -8.534 17.093 -3.249 183 2HE LYS 24 2HE LYS 24 -8.919 18.527 -4.187 184 1HZ LYS 24 1HZ LYS 24 -11.182 18.365 -3.377 185 2HZ LYS 24 2HZ LYS 24 -10.786 17.055 -2.452 186 3HZ LYS 24 3HZ LYS 24 -10.103 18.521 -2.143 187 H HIS 25 H HIS 25 -11.052 13.376 -0.483 188 HA HIS 25 HA HIS 25 -8.411 12.072 0.023 189 1HB HIS 25 1HB HIS 25 -10.439 13.436 1.840 190 2HB HIS 25 2HB HIS 25 -8.876 12.783 2.338 191 HD1 HIS 25 HD1 HIS 25 -9.959 15.380 -0.380 192 HD2 HIS 25 HD2 HIS 25 -7.284 14.757 2.805 193 HE1 HIS 25 HE1 HIS 25 -8.599 17.516 -0.144 194 H LYS 26 H LYS 26 -11.880 11.397 0.207 195 HA LYS 26 HA LYS 26 -11.277 8.794 1.491 196 1HB LYS 26 1HB LYS 26 -13.732 10.396 2.222 197 2HB LYS 26 2HB LYS 26 -12.965 9.073 3.100 198 1HG LYS 26 1HG LYS 26 -11.003 10.688 3.549 199 2HG LYS 26 2HG LYS 26 -12.002 11.947 2.797 200 1HD LYS 26 1HD LYS 26 -12.350 12.246 5.080 201 2HD LYS 26 2HD LYS 26 -13.809 11.426 4.506 202 1HE LYS 26 1HE LYS 26 -12.844 9.247 5.347 203 2HE LYS 26 2HE LYS 26 -11.425 10.134 5.929 204 1HZ LYS 26 1HZ LYS 26 -14.186 10.589 6.815 205 2HZ LYS 26 2HZ LYS 26 -13.030 9.751 7.633 206 3HZ LYS 26 3HZ LYS 26 -12.843 11.367 7.370 207 H LEU 27 H LEU 27 -13.330 7.386 1.497 208 HA LEU 27 HA LEU 27 -14.903 7.757 -1.044 209 1HB LEU 27 1HB LEU 27 -13.675 5.213 0.084 210 2HB LEU 27 2HB LEU 27 -14.912 5.230 -1.175 211 HG LEU 27 HG LEU 27 -12.230 6.592 -1.530 212 1HD1 LEU 27 1HD1 LEU 27 -13.115 3.782 -2.303 213 2HD1 LEU 27 2HD1 LEU 27 -11.553 4.523 -2.720 214 3HD1 LEU 27 3HD1 LEU 27 -11.945 4.163 -1.026 215 1HD2 LEU 27 1HD2 LEU 27 -14.238 5.513 -3.573 216 2HD2 LEU 27 2HD2 LEU 27 -14.062 7.232 -3.143 217 3HD2 LEU 27 3HD2 LEU 27 -12.730 6.368 -3.924 218 H LYS 28 H LYS 28 -16.971 8.112 -0.363 219 HA LYS 28 HA LYS 28 -18.009 6.877 2.076 220 1HB LYS 28 1HB LYS 28 -18.760 9.052 1.150 221 2HB LYS 28 2HB LYS 28 -19.509 8.199 -0.210 222 1HG LYS 28 1HG LYS 28 -21.178 7.247 1.132 223 2HG LYS 28 2HG LYS 28 -20.233 7.420 2.640 224 1HD LYS 28 1HD LYS 28 -20.500 9.794 2.651 225 2HD LYS 28 2HD LYS 28 -21.279 9.780 1.053 226 1HE LYS 28 1HE LYS 28 -23.162 8.441 1.991 227 2HE LYS 28 2HE LYS 28 -22.410 8.538 3.600 228 1HZ LYS 28 1HZ LYS 28 -24.088 10.200 3.285 229 2HZ LYS 28 2HZ LYS 28 -22.615 10.918 3.461 230 3HZ LYS 28 3HZ LYS 28 -23.307 10.811 1.969 231 H LYS 29 H LYS 29 -19.994 5.368 1.870 232 HA LYS 29 HA LYS 29 -19.148 2.959 0.809 233 1HB LYS 29 1HB LYS 29 -21.332 2.080 1.376 234 2HB LYS 29 2HB LYS 29 -20.813 3.203 2.607 235 1HG LYS 29 1HG LYS 29 -22.264 4.979 1.594 236 2HG LYS 29 2HG LYS 29 -22.855 3.781 0.419 237 1HD LYS 29 1HD LYS 29 -23.629 2.332 2.266 238 2HD LYS 29 2HD LYS 29 -23.101 3.529 3.455 239 1HE LYS 29 1HE LYS 29 -25.184 4.022 1.265 240 2HE LYS 29 2HE LYS 29 -25.552 3.634 2.952 241 1HZ LYS 29 1HZ LYS 29 -24.102 6.009 2.018 242 2HZ LYS 29 2HZ LYS 29 -25.654 5.962 2.564 243 3HZ LYS 29 3HZ LYS 29 -24.412 5.636 3.595 244 H SER 30 H SER 30 -21.229 5.339 -0.843 245 HA SER 30 HA SER 30 -22.003 3.826 -3.105 246 1HB SER 30 1HB SER 30 -21.853 6.348 -4.008 247 2HB SER 30 2HB SER 30 -23.072 5.891 -2.803 248 HG SER 30 HG SER 30 -21.759 7.798 -2.280 249 H GLU 31 H GLU 31 -19.155 5.900 -2.416 250 HA GLU 31 HA GLU 31 -18.095 5.644 -5.087 251 1HB GLU 31 1HB GLU 31 -16.600 6.581 -2.622 252 2HB GLU 31 2HB GLU 31 -16.240 6.905 -4.328 253 1HG GLU 31 1HG GLU 31 -18.571 7.928 -2.686 254 2HG GLU 31 2HG GLU 31 -17.268 8.877 -3.411 255 H LEU 32 H LEU 32 -17.313 4.239 -1.908 256 HA LEU 32 HA LEU 32 -15.119 2.658 -2.667 257 1HB LEU 32 1HB LEU 32 -15.816 3.166 -0.375 258 2HB LEU 32 2HB LEU 32 -17.278 2.185 -0.556 259 HG LEU 32 HG LEU 32 -15.337 1.260 0.784 260 1HD1 LEU 32 1HD1 LEU 32 -16.378 -0.523 -1.451 261 2HD1 LEU 32 2HD1 LEU 32 -15.682 -1.031 0.090 262 3HD1 LEU 32 3HD1 LEU 32 -17.212 -0.142 0.069 263 1HD2 LEU 32 1HD2 LEU 32 -14.095 0.669 -1.929 264 2HD2 LEU 32 2HD2 LEU 32 -13.511 1.878 -0.760 265 3HD2 LEU 32 3HD2 LEU 32 -13.506 0.158 -0.339 266 H LYS 33 H LYS 33 -18.610 1.792 -2.549 267 HA LYS 33 HA LYS 33 -18.438 -0.823 -3.611 268 1HB LYS 33 1HB LYS 33 -20.401 0.112 -2.586 269 2HB LYS 33 2HB LYS 33 -20.559 1.375 -3.785 270 1HG LYS 33 1HG LYS 33 -21.004 -0.468 -5.527 271 2HG LYS 33 2HG LYS 33 -20.934 -1.624 -4.185 272 1HD LYS 33 1HD LYS 33 -22.767 -0.010 -3.112 273 2HD LYS 33 2HD LYS 33 -22.950 0.583 -4.762 274 1HE LYS 33 1HE LYS 33 -23.464 -1.730 -5.540 275 2HE LYS 33 2HE LYS 33 -23.197 -2.344 -3.897 276 1HZ LYS 33 1HZ LYS 33 -24.996 -0.904 -3.173 277 2HZ LYS 33 2HZ LYS 33 -25.327 -0.527 -4.745 278 3HZ LYS 33 3HZ LYS 33 -25.461 -2.090 -4.212 279 H GLU 34 H GLU 34 -19.121 2.279 -5.433 280 HA GLU 34 HA GLU 34 -19.335 0.759 -7.863 281 1HB GLU 34 1HB GLU 34 -19.680 2.803 -9.010 282 2HB GLU 34 2HB GLU 34 -20.512 2.889 -7.449 283 1HG GLU 34 1HG GLU 34 -18.445 4.134 -6.589 284 2HG GLU 34 2HG GLU 34 -17.926 4.237 -8.273 285 H LEU 35 H LEU 35 -16.707 2.606 -6.370 286 HA LEU 35 HA LEU 35 -14.781 2.418 -8.403 287 1HB LEU 35 1HB LEU 35 -14.475 3.811 -6.408 288 2HB LEU 35 2HB LEU 35 -14.547 2.376 -5.374 289 HG LEU 35 HG LEU 35 -12.405 1.572 -6.374 290 1HD1 LEU 35 1HD1 LEU 35 -12.656 2.773 -8.601 291 2HD1 LEU 35 2HD1 LEU 35 -12.279 4.285 -7.754 292 3HD1 LEU 35 3HD1 LEU 35 -11.084 2.981 -7.830 293 1HD2 LEU 35 1HD2 LEU 35 -10.913 3.297 -5.414 294 2HD2 LEU 35 2HD2 LEU 35 -12.298 4.394 -5.272 295 3HD2 LEU 35 3HD2 LEU 35 -12.269 2.868 -4.349 296 H ILE 36 H ILE 36 -15.415 0.118 -5.639 297 HA ILE 36 HA ILE 36 -13.501 -1.781 -6.560 298 HB ILE 36 HB ILE 36 -15.920 -1.959 -4.753 299 1HG1 ILE 36 1HG1 ILE 36 -12.891 -2.222 -4.366 300 2HG1 ILE 36 2HG1 ILE 36 -13.866 -0.803 -3.976 301 1HG2 ILE 36 1HG2 ILE 36 -15.270 -4.257 -4.172 302 2HG2 ILE 36 2HG2 ILE 36 -15.798 -4.157 -5.846 303 3HG2 ILE 36 3HG2 ILE 36 -14.067 -4.261 -5.473 304 1HD1 ILE 36 1HD1 ILE 36 -13.888 -3.511 -2.595 305 2HD1 ILE 36 2HD1 ILE 36 -13.476 -1.932 -1.924 306 3HD1 ILE 36 3HD1 ILE 36 -15.163 -2.296 -2.347 307 H ASN 37 H ASN 37 -17.032 -1.650 -7.197 308 HA ASN 37 HA ASN 37 -17.162 -3.999 -8.756 309 1HB ASN 37 1HB ASN 37 -18.829 -1.461 -8.898 310 2HB ASN 37 2HB ASN 37 -19.116 -2.862 -9.948 311 1HD2 ASN 37 2HD2 ASN 37 -19.033 -1.881 -6.516 312 2HD2 ASN 37 1HD2 ASN 37 -20.144 -3.136 -5.980 313 H ASN 38 H ASN 38 -16.381 -0.650 -9.876 314 HA ASN 38 HA ASN 38 -16.175 -1.537 -12.652 315 1HB ASN 38 1HB ASN 38 -15.636 1.083 -11.197 316 2HB ASN 38 2HB ASN 38 -15.270 0.828 -12.910 317 1HD2 ASN 38 1HD2 ASN 38 -17.925 0.927 -10.551 318 2HD2 ASN 38 2HD2 ASN 38 -19.191 1.176 -11.758 319 H GLU 39 H GLU 39 -13.858 -0.713 -10.046 320 HA GLU 39 HA GLU 39 -11.647 -1.026 -11.973 321 1HB GLU 39 1HB GLU 39 -11.599 0.200 -9.229 322 2HB GLU 39 2HB GLU 39 -10.297 0.161 -10.421 323 1HG GLU 39 1HG GLU 39 -12.959 1.599 -10.755 324 2HG GLU 39 2HG GLU 39 -11.395 2.344 -10.393 325 H LEU 40 H LEU 40 -13.073 -3.019 -9.565 326 HA LEU 40 HA LEU 40 -10.524 -4.568 -9.396 327 1HB LEU 40 1HB LEU 40 -11.356 -3.341 -7.307 328 2HB LEU 40 2HB LEU 40 -12.701 -4.479 -7.302 329 HG LEU 40 HG LEU 40 -11.206 -6.323 -6.842 330 1HD1 LEU 40 1HD1 LEU 40 -8.784 -5.906 -6.392 331 2HD1 LEU 40 2HD1 LEU 40 -9.177 -5.781 -8.110 332 3HD1 LEU 40 3HD1 LEU 40 -8.937 -4.304 -7.137 333 1HD2 LEU 40 1HD2 LEU 40 -11.924 -4.847 -4.961 334 2HD2 LEU 40 2HD2 LEU 40 -10.327 -5.548 -4.652 335 3HD2 LEU 40 3HD2 LEU 40 -10.466 -3.867 -5.194 336 H SER 41 H SER 41 -12.996 -4.597 -11.277 337 HA SER 41 HA SER 41 -14.837 -6.444 -10.824 338 1HB SER 41 1HB SER 41 -13.495 -6.104 -13.530 339 2HB SER 41 2HB SER 41 -15.224 -6.318 -13.172 340 HG SER 41 HG SER 41 -15.172 -4.247 -12.195 341 H HIS 42 H HIS 42 -11.628 -7.258 -12.282 342 HA HIS 42 HA HIS 42 -12.399 -9.965 -12.897 343 1HB HIS 42 1HB HIS 42 -9.573 -8.928 -12.488 344 2HB HIS 42 2HB HIS 42 -10.084 -10.351 -13.389 345 HD1 HIS 42 HD1 HIS 42 -12.509 -8.607 -14.926 346 HD2 HIS 42 HD2 HIS 42 -8.388 -7.815 -14.623 347 HE1 HIS 42 HE1 HIS 42 -11.909 -7.076 -16.884 348 H PHE 43 H PHE 43 -10.758 -8.436 -10.129 349 HA PHE 43 HA PHE 43 -10.212 -10.970 -8.780 350 1HB PHE 43 1HB PHE 43 -10.038 -8.052 -7.973 351 2HB PHE 43 2HB PHE 43 -9.785 -9.369 -6.836 352 HD1 PHE 43 HD1 PHE 43 -8.494 -9.749 -10.327 353 HD2 PHE 43 HD2 PHE 43 -7.593 -8.552 -6.279 354 HE1 PHE 43 HE1 PHE 43 -6.096 -9.731 -10.864 355 HE2 PHE 43 HE2 PHE 43 -5.176 -8.612 -6.804 356 HZ PHE 43 HZ PHE 43 -4.422 -9.156 -9.130 357 H LEU 44 H LEU 44 -12.450 -8.220 -8.090 358 HA LEU 44 HA LEU 44 -13.995 -10.008 -6.266 359 1HB LEU 44 1HB LEU 44 -13.504 -7.029 -6.330 360 2HB LEU 44 2HB LEU 44 -15.075 -7.628 -5.795 361 HG LEU 44 HG LEU 44 -13.983 -9.174 -4.210 362 1HD1 LEU 44 1HD1 LEU 44 -11.479 -7.570 -4.908 363 2HD1 LEU 44 2HD1 LEU 44 -11.632 -8.660 -3.511 364 3HD1 LEU 44 3HD1 LEU 44 -11.715 -9.314 -5.150 365 1HD2 LEU 44 1HD2 LEU 44 -13.482 -7.417 -2.528 366 2HD2 LEU 44 2HD2 LEU 44 -13.395 -6.206 -3.824 367 3HD2 LEU 44 3HD2 LEU 44 -14.928 -7.025 -3.478 368 H GLU 45 H GLU 45 -15.886 -10.672 -6.832 369 HA GLU 45 HA GLU 45 -17.083 -9.994 -9.408 370 1HB GLU 45 1HB GLU 45 -18.266 -11.528 -7.043 371 2HB GLU 45 2HB GLU 45 -18.928 -11.430 -8.682 372 1HG GLU 45 1HG GLU 45 -16.732 -12.433 -9.522 373 2HG GLU 45 2HG GLU 45 -16.309 -12.756 -7.834 374 H GLU 46 H GLU 46 -19.385 -9.119 -9.488 375 HA GLU 46 HA GLU 46 -19.405 -6.562 -8.464 376 1HB GLU 46 1HB GLU 46 -21.510 -6.252 -9.411 377 2HB GLU 46 2HB GLU 46 -20.685 -7.436 -10.436 378 1HG GLU 46 1HG GLU 46 -21.852 -9.218 -8.947 379 2HG GLU 46 2HG GLU 46 -22.782 -7.857 -8.314 380 H ILE 47 H ILE 47 -20.161 -5.586 -6.737 381 HA ILE 47 HA ILE 47 -20.315 -7.301 -4.373 382 HB ILE 47 HB ILE 47 -20.557 -4.291 -4.260 383 1HG1 ILE 47 1HG1 ILE 47 -18.529 -4.901 -5.666 384 2HG1 ILE 47 2HG1 ILE 47 -18.206 -4.007 -4.173 385 1HG2 ILE 47 1HG2 ILE 47 -19.600 -6.484 -2.358 386 2HG2 ILE 47 2HG2 ILE 47 -19.343 -4.765 -2.057 387 3HG2 ILE 47 3HG2 ILE 47 -20.995 -5.415 -2.163 388 1HD1 ILE 47 1HD1 ILE 47 -16.678 -5.959 -4.731 389 2HD1 ILE 47 2HD1 ILE 47 -17.338 -5.907 -3.086 390 3HD1 ILE 47 3HD1 ILE 47 -18.008 -7.034 -4.304 391 H LYS 48 H LYS 48 -22.376 -4.863 -5.823 392 HA LYS 48 HA LYS 48 -24.461 -4.223 -5.681 393 1HB LYS 48 1HB LYS 48 -26.173 -5.947 -6.026 394 2HB LYS 48 2HB LYS 48 -24.800 -5.977 -7.137 395 1HG LYS 48 1HG LYS 48 -23.833 -7.912 -6.027 396 2HG LYS 48 2HG LYS 48 -25.048 -7.814 -4.744 397 1HD LYS 48 1HD LYS 48 -26.831 -8.195 -6.499 398 2HD LYS 48 2HD LYS 48 -25.525 -8.488 -7.672 399 1HE LYS 48 1HE LYS 48 -24.634 -10.277 -6.109 400 2HE LYS 48 2HE LYS 48 -26.029 -9.983 -5.054 401 1HZ LYS 48 1HZ LYS 48 -26.391 -11.836 -6.511 402 2HZ LYS 48 2HZ LYS 48 -27.457 -10.627 -6.859 403 3HZ LYS 48 3HZ LYS 48 -26.163 -10.897 -7.845 404 H GLU 49 H GLU 49 -24.316 -6.713 -3.038 405 HA GLU 49 HA GLU 49 -26.525 -5.476 -1.658 406 1HB GLU 49 1HB GLU 49 -24.440 -7.505 -0.813 407 2HB GLU 49 2HB GLU 49 -25.569 -6.779 0.337 408 1HG GLU 49 1HG GLU 49 -26.547 -8.828 -0.356 409 2HG GLU 49 2HG GLU 49 -27.505 -7.511 -1.029 410 H GLN 50 H GLN 50 -26.165 -3.295 -1.303 411 HA GLN 50 HA GLN 50 -23.971 -1.861 -0.604 412 1HB GLN 50 1HB GLN 50 -26.268 -0.993 -1.011 413 2HB GLN 50 2HB GLN 50 -26.688 -1.414 0.661 414 1HG GLN 50 1HG GLN 50 -24.880 0.116 1.472 415 2HG GLN 50 2HG GLN 50 -24.417 0.453 -0.202 416 1HE2 GLN 50 1HE2 GLN 50 -27.340 0.563 1.937 417 2HE2 GLN 50 2HE2 GLN 50 -27.937 2.065 1.253 418 H GLU 51 H GLU 51 -25.789 -3.970 1.584 419 HA GLU 51 HA GLU 51 -24.747 -3.096 4.072 420 1HB GLU 51 1HB GLU 51 -25.612 -5.899 3.193 421 2HB GLU 51 2HB GLU 51 -25.340 -5.365 4.850 422 1HG GLU 51 1HG GLU 51 -27.697 -5.320 4.489 423 2HG GLU 51 2HG GLU 51 -27.139 -3.647 4.601 424 H VAL 52 H VAL 52 -23.415 -5.332 1.597 425 HA VAL 52 HA VAL 52 -21.238 -6.155 3.364 426 HB VAL 52 HB VAL 52 -21.546 -6.650 0.374 427 1HG1 VAL 52 1HG1 VAL 52 -20.049 -8.589 0.931 428 2HG1 VAL 52 2HG1 VAL 52 -19.263 -7.013 1.097 429 3HG1 VAL 52 3HG1 VAL 52 -19.805 -7.895 2.542 430 1HG2 VAL 52 1HG2 VAL 52 -22.394 -8.888 1.079 431 2HG2 VAL 52 2HG2 VAL 52 -22.396 -8.346 2.771 432 3HG2 VAL 52 3HG2 VAL 52 -23.488 -7.600 1.588 433 H VAL 53 H VAL 53 -21.738 -3.749 0.729 434 HA VAL 53 HA VAL 53 -18.994 -3.059 0.466 435 HB VAL 53 HB VAL 53 -19.545 -1.400 -0.829 436 1HG1 VAL 53 1HG1 VAL 53 -22.121 -2.970 -0.904 437 2HG1 VAL 53 2HG1 VAL 53 -21.764 -1.650 -1.986 438 3HG1 VAL 53 3HG1 VAL 53 -20.697 -3.041 -1.948 439 1HG2 VAL 53 1HG2 VAL 53 -21.387 0.228 -0.688 440 2HG2 VAL 53 2HG2 VAL 53 -21.932 -0.510 0.793 441 3HG2 VAL 53 3HG2 VAL 53 -20.312 0.214 0.700 442 H ASP 54 H ASP 54 -21.624 -1.756 2.492 443 HA ASP 54 HA ASP 54 -20.167 0.052 4.038 444 1HB ASP 54 1HB ASP 54 -22.607 -0.088 4.080 445 2HB ASP 54 2HB ASP 54 -22.538 -1.681 4.851 446 H LYS 55 H LYS 55 -20.743 -3.500 4.619 447 HA LYS 55 HA LYS 55 -19.348 -3.604 7.024 448 1HB LYS 55 1HB LYS 55 -20.755 -5.440 6.201 449 2HB LYS 55 2HB LYS 55 -19.612 -5.757 4.889 450 1HG LYS 55 1HG LYS 55 -19.360 -7.398 6.657 451 2HG LYS 55 2HG LYS 55 -17.877 -6.457 6.475 452 1HD LYS 55 1HD LYS 55 -18.564 -5.044 8.437 453 2HD LYS 55 2HD LYS 55 -20.047 -6.013 8.571 454 1HE LYS 55 1HE LYS 55 -18.615 -8.034 8.995 455 2HE LYS 55 2HE LYS 55 -17.162 -7.021 8.821 456 1HZ LYS 55 1HZ LYS 55 -19.243 -6.683 10.864 457 2HZ LYS 55 2HZ LYS 55 -17.748 -7.335 11.101 458 3HZ LYS 55 3HZ LYS 55 -17.900 -5.745 10.694 459 H VAL 56 H VAL 56 -18.011 -4.207 3.695 460 HA VAL 56 HA VAL 56 -15.401 -4.769 4.768 461 HB VAL 56 HB VAL 56 -14.522 -4.715 2.560 462 1HG1 VAL 56 1HG1 VAL 56 -15.837 -6.516 1.581 463 2HG1 VAL 56 2HG1 VAL 56 -15.753 -6.715 3.340 464 3HG1 VAL 56 3HG1 VAL 56 -17.236 -6.105 2.584 465 1HG2 VAL 56 1HG2 VAL 56 -15.871 -4.248 0.571 466 2HG2 VAL 56 2HG2 VAL 56 -17.216 -3.729 1.596 467 3HG2 VAL 56 3HG2 VAL 56 -15.704 -2.801 1.577 468 H MET 57 H MET 57 -16.918 -1.709 3.598 469 HA MET 57 HA MET 57 -14.477 -0.244 3.901 470 1HB MET 57 1HB MET 57 -15.581 1.552 3.304 471 2HB MET 57 2HB MET 57 -16.837 0.420 2.816 472 1HG MET 57 1HG MET 57 -17.960 0.857 5.056 473 2HG MET 57 2HG MET 57 -16.712 2.073 5.378 474 1HE MET 57 1HE MET 57 -16.191 3.950 3.652 475 2HE MET 57 2HE MET 57 -16.674 3.247 2.093 476 3HE MET 57 3HE MET 57 -17.466 4.719 2.694 477 H GLU 58 H GLU 58 -17.184 -0.850 6.162 478 HA GLU 58 HA GLU 58 -16.344 0.592 8.388 479 1HB GLU 58 1HB GLU 58 -18.521 -0.449 8.262 480 2HB GLU 58 2HB GLU 58 -17.811 -2.068 8.190 481 1HG GLU 58 1HG GLU 58 -16.948 -1.833 10.490 482 2HG GLU 58 2HG GLU 58 -17.578 -0.181 10.553 483 H THR 59 H THR 59 -15.512 -2.720 7.417 484 HA THR 59 HA THR 59 -13.871 -3.474 9.551 485 HB THR 59 HB THR 59 -13.667 -4.148 6.587 486 HG1 THR 59 HG1 THR 59 -15.628 -4.689 7.523 487 1HG2 THR 59 1HG2 THR 59 -12.574 -6.233 7.261 488 2HG2 THR 59 2HG2 THR 59 -11.560 -4.826 7.576 489 3HG2 THR 59 3HG2 THR 59 -12.420 -5.616 8.925 490 H LEU 60 H LEU 60 -13.098 -1.190 6.920 491 HA LEU 60 HA LEU 60 -10.307 -0.914 7.980 492 1HB LEU 60 1HB LEU 60 -11.516 -0.192 5.286 493 2HB LEU 60 2HB LEU 60 -9.914 0.290 5.839 494 HG LEU 60 HG LEU 60 -9.461 -1.399 4.425 495 1HD1 LEU 60 1HD1 LEU 60 -8.269 -1.434 6.638 496 2HD1 LEU 60 2HD1 LEU 60 -9.334 -2.778 7.125 497 3HD1 LEU 60 3HD1 LEU 60 -8.248 -2.953 5.738 498 1HD2 LEU 60 1HD2 LEU 60 -11.637 -2.458 4.182 499 2HD2 LEU 60 2HD2 LEU 60 -10.366 -3.660 4.461 500 3HD2 LEU 60 3HD2 LEU 60 -11.473 -3.229 5.775 501 H ASP 61 H ASP 61 -13.265 0.470 8.528 502 HA ASP 61 HA ASP 61 -12.585 3.215 7.934 503 1HB ASP 61 1HB ASP 61 -14.872 2.437 7.840 504 2HB ASP 61 2HB ASP 61 -14.840 2.043 9.571 505 H SER 62 H SER 62 -10.440 2.955 9.132 506 HA SER 62 HA SER 62 -10.163 3.164 11.929 507 1HB SER 62 1HB SER 62 -8.031 4.268 11.424 508 2HB SER 62 2HB SER 62 -8.295 2.920 10.293 509 HG SER 62 HG SER 62 -7.656 4.722 9.128 510 H ASP 63 H ASP 63 -11.153 5.532 9.525 511 HA ASP 63 HA ASP 63 -10.927 7.878 11.120 512 1HB ASP 63 1HB ASP 63 -12.845 7.321 8.803 513 2HB ASP 63 2HB ASP 63 -12.354 8.900 9.420 514 H GLY 64 H GLY 64 -13.232 5.262 11.302 515 1HA GLY 64 1HA GLY 64 -15.288 5.010 12.236 516 2HA GLY 64 2HA GLY 64 -14.767 6.230 13.411 517 H ASP 65 H ASP 65 -15.148 6.797 9.929 518 HA ASP 65 HA ASP 65 -17.252 8.864 10.511 519 1HB ASP 65 1HB ASP 65 -14.958 9.741 10.048 520 2HB ASP 65 2HB ASP 65 -14.977 8.891 8.490 521 H GLY 66 H GLY 66 -17.032 5.848 9.287 522 1HA GLY 66 1HA GLY 66 -18.264 4.711 7.747 523 2HA GLY 66 2HA GLY 66 -19.079 6.194 7.221 524 H GLU 67 H GLU 67 -17.428 7.814 6.203 525 HA GLU 67 HA GLU 67 -16.488 6.744 3.804 526 1HB GLU 67 1HB GLU 67 -15.438 9.308 5.031 527 2HB GLU 67 2HB GLU 67 -15.554 8.848 3.338 528 1HG GLU 67 1HG GLU 67 -18.086 8.786 3.606 529 2HG GLU 67 2HG GLU 67 -17.859 9.552 5.190 530 H CYS 68 H CYS 68 -14.522 5.802 3.236 531 HA CYS 68 HA CYS 68 -12.480 5.415 5.401 532 1HB CYS 68 1HB CYS 68 -13.149 3.925 2.834 533 2HB CYS 68 2HB CYS 68 -11.596 3.717 3.683 534 HG CYS 68 HG CYS 68 -13.048 1.754 4.424 535 H ASP 69 H ASP 69 -10.508 6.469 5.316 536 HA ASP 69 HA ASP 69 -10.163 8.408 3.195 537 1HB ASP 69 1HB ASP 69 -8.643 9.474 4.423 538 2HB ASP 69 2HB ASP 69 -9.587 8.694 5.702 539 H PHE 70 H PHE 70 -8.039 8.666 2.042 540 HA PHE 70 HA PHE 70 -7.463 6.586 0.382 541 1HB PHE 70 1HB PHE 70 -6.658 8.813 -0.069 542 2HB PHE 70 2HB PHE 70 -5.506 8.756 1.238 543 HD1 PHE 70 HD1 PHE 70 -3.339 7.469 0.888 544 HD2 PHE 70 HD2 PHE 70 -6.538 7.185 -1.957 545 HE1 PHE 70 HE1 PHE 70 -1.878 6.199 -0.644 546 HE2 PHE 70 HE2 PHE 70 -5.039 6.062 -3.568 547 HZ PHE 70 HZ PHE 70 -2.701 5.561 -2.940 548 H GLN 71 H GLN 71 -5.715 7.105 3.498 549 HA GLN 71 HA GLN 71 -3.844 5.020 3.197 550 1HB GLN 71 1HB GLN 71 -3.707 6.628 5.010 551 2HB GLN 71 2HB GLN 71 -5.261 6.091 5.664 552 1HG GLN 71 1HG GLN 71 -3.465 5.259 7.019 553 2HG GLN 71 2HG GLN 71 -4.323 3.914 6.287 554 1HE2 GLN 71 1HE2 GLN 71 -3.244 2.840 4.354 555 2HE2 GLN 71 2HE2 GLN 71 -1.478 2.873 4.327 556 H GLU 72 H GLU 72 -7.284 4.875 4.205 557 HA GLU 72 HA GLU 72 -7.059 2.081 5.061 558 1HB GLU 72 1HB GLU 72 -9.464 3.927 4.660 559 2HB GLU 72 2HB GLU 72 -9.521 2.327 5.391 560 1HG GLU 72 1HG GLU 72 -8.114 4.791 6.463 561 2HG GLU 72 2HG GLU 72 -9.462 3.936 7.181 562 H PHE 73 H PHE 73 -8.365 3.839 2.274 563 HA PHE 73 HA PHE 73 -9.193 1.558 0.735 564 1HB PHE 73 1HB PHE 73 -9.759 3.578 -0.199 565 2HB PHE 73 2HB PHE 73 -8.214 4.338 0.149 566 HD1 PHE 73 HD1 PHE 73 -6.311 4.153 -1.376 567 HD2 PHE 73 HD2 PHE 73 -10.003 2.074 -2.212 568 HE1 PHE 73 HE1 PHE 73 -5.525 3.664 -3.673 569 HE2 PHE 73 HE2 PHE 73 -9.254 1.708 -4.548 570 HZ PHE 73 HZ PHE 73 -7.060 2.592 -5.312 571 H MET 74 H MET 74 -6.006 3.152 1.090 572 HA MET 74 HA MET 74 -4.682 1.436 -0.667 573 1HB MET 74 1HB MET 74 -3.968 3.734 0.052 574 2HB MET 74 2HB MET 74 -3.437 3.045 1.599 575 1HG MET 74 1HG MET 74 -1.597 3.321 0.025 576 2HG MET 74 2HG MET 74 -1.851 1.602 0.383 577 1HE MET 74 1HE MET 74 -0.486 0.692 -1.500 578 2HE MET 74 2HE MET 74 -0.556 1.239 -3.192 579 3HE MET 74 3HE MET 74 0.021 2.343 -1.924 580 H ALA 75 H ALA 75 -5.207 1.202 2.826 581 HA ALA 75 HA ALA 75 -3.600 -1.120 3.297 582 1HB ALA 75 1HB ALA 75 -4.569 0.260 5.105 583 2HB ALA 75 2HB ALA 75 -6.195 -0.318 4.681 584 3HB ALA 75 3HB ALA 75 -4.979 -1.458 5.279 585 H PHE 76 H PHE 76 -6.994 -0.737 2.213 586 HA PHE 76 HA PHE 76 -7.636 -3.532 2.111 587 1HB PHE 76 1HB PHE 76 -9.406 -1.946 2.103 588 2HB PHE 76 2HB PHE 76 -8.787 -1.161 0.661 589 HD1 PHE 76 HD1 PHE 76 -10.190 -4.455 1.824 590 HD2 PHE 76 HD2 PHE 76 -9.470 -1.741 -1.470 591 HE1 PHE 76 HE1 PHE 76 -11.445 -5.950 0.278 592 HE2 PHE 76 HE2 PHE 76 -10.734 -3.220 -2.977 593 HZ PHE 76 HZ PHE 76 -11.580 -5.395 -2.173 594 H VAL 77 H VAL 77 -6.463 -1.234 -0.395 595 HA VAL 77 HA VAL 77 -6.018 -3.061 -2.511 596 HB VAL 77 HB VAL 77 -4.599 -0.540 -1.655 597 1HG1 VAL 77 1HG1 VAL 77 -2.948 -1.800 -2.971 598 2HG1 VAL 77 2HG1 VAL 77 -4.172 -2.159 -4.210 599 3HG1 VAL 77 3HG1 VAL 77 -3.607 -0.494 -3.957 600 1HG2 VAL 77 1HG2 VAL 77 -6.961 -0.324 -2.461 601 2HG2 VAL 77 2HG2 VAL 77 -5.801 0.447 -3.552 602 3HG2 VAL 77 3HG2 VAL 77 -6.498 -1.131 -3.969 603 H ALA 78 H ALA 78 -3.778 -2.191 0.197 604 HA ALA 78 HA ALA 78 -1.666 -3.781 -0.681 605 1HB ALA 78 1HB ALA 78 -2.387 -3.133 2.203 606 2HB ALA 78 2HB ALA 78 -0.807 -3.669 1.605 607 3HB ALA 78 3HB ALA 78 -1.458 -2.102 1.095 608 H MET 79 H MET 79 -4.262 -4.745 1.660 609 HA MET 79 HA MET 79 -3.250 -7.407 1.941 610 1HB MET 79 1HB MET 79 -5.436 -8.041 2.830 611 2HB MET 79 2HB MET 79 -4.789 -6.570 3.578 612 1HG MET 79 1HG MET 79 -6.272 -5.223 2.180 613 2HG MET 79 2HG MET 79 -6.915 -6.690 1.401 614 1HE MET 79 1HE MET 79 -7.941 -5.290 5.630 615 2HE MET 79 2HE MET 79 -6.288 -5.828 5.240 616 3HE MET 79 3HE MET 79 -6.957 -4.369 4.458 617 H ILE 80 H ILE 80 -5.633 -6.049 -0.386 618 HA ILE 80 HA ILE 80 -6.347 -8.540 -1.565 619 HB ILE 80 HB ILE 80 -6.319 -5.691 -2.621 620 1HG1 ILE 80 1HG1 ILE 80 -7.818 -6.346 -0.623 621 2HG1 ILE 80 2HG1 ILE 80 -8.539 -5.512 -1.999 622 1HG2 ILE 80 1HG2 ILE 80 -6.311 -7.054 -4.594 623 2HG2 ILE 80 2HG2 ILE 80 -7.509 -8.170 -3.903 624 3HG2 ILE 80 3HG2 ILE 80 -7.967 -6.502 -4.323 625 1HD1 ILE 80 1HD1 ILE 80 -9.904 -7.363 -1.054 626 2HD1 ILE 80 2HD1 ILE 80 -9.559 -7.565 -2.777 627 3HD1 ILE 80 3HD1 ILE 80 -8.670 -8.526 -1.563 628 H THR 81 H THR 81 -3.959 -6.099 -2.645 629 HA THR 81 HA THR 81 -2.947 -7.494 -4.864 630 HB THR 81 HB THR 81 -1.287 -5.802 -2.954 631 HG1 THR 81 HG1 THR 81 -3.074 -4.590 -3.409 632 1HG2 THR 81 1HG2 THR 81 -1.141 -5.813 -5.988 633 2HG2 THR 81 2HG2 THR 81 0.056 -5.243 -4.851 634 3HG2 THR 81 3HG2 THR 81 -0.230 -6.991 -5.039 635 H THR 82 H THR 82 -1.914 -7.563 -1.386 636 HA THR 82 HA THR 82 0.220 -9.390 -1.833 637 HB THR 82 HB THR 82 -1.305 -8.891 0.744 638 HG1 THR 82 HG1 THR 82 -0.491 -6.978 -0.001 639 1HG2 THR 82 1HG2 THR 82 0.182 -10.892 0.801 640 2HG2 THR 82 2HG2 THR 82 1.532 -9.916 0.202 641 3HG2 THR 82 3HG2 THR 82 0.813 -9.558 1.779 642 H ALA 83 H ALA 83 -3.250 -9.927 -1.041 643 HA ALA 83 HA ALA 83 -3.018 -12.725 -0.685 644 1HB ALA 83 1HB ALA 83 -5.368 -11.128 -1.807 645 2HB ALA 83 2HB ALA 83 -5.422 -12.776 -1.164 646 3HB ALA 83 3HB ALA 83 -5.036 -11.416 -0.088 647 H CYS 84 H CYS 84 -3.622 -10.784 -3.634 648 HA CYS 84 HA CYS 84 -3.713 -12.994 -5.446 649 1HB CYS 84 1HB CYS 84 -4.501 -10.832 -6.121 650 2HB CYS 84 2HB CYS 84 -2.891 -10.101 -5.887 651 HG CYS 84 HG CYS 84 -3.792 -12.530 -7.935 652 H HIS 85 H HIS 85 -0.953 -10.926 -4.456 653 HA HIS 85 HA HIS 85 1.128 -12.090 -5.894 654 1HB HIS 85 1HB HIS 85 1.376 -10.074 -4.507 655 2HB HIS 85 2HB HIS 85 1.101 -11.015 -3.053 656 HD1 HIS 85 HD1 HIS 85 3.885 -10.295 -5.536 657 HD2 HIS 85 HD2 HIS 85 3.031 -12.556 -2.086 658 HE1 HIS 85 HE1 HIS 85 6.109 -11.193 -4.664 659 H GLU 86 H GLU 86 -0.070 -13.071 -2.639 660 HA GLU 86 HA GLU 86 1.671 -15.337 -2.411 661 1HB GLU 86 1HB GLU 86 -0.993 -14.651 -1.105 662 2HB GLU 86 2HB GLU 86 -0.024 -16.083 -0.720 663 1HG GLU 86 1HG GLU 86 1.899 -14.678 -0.098 664 2HG GLU 86 2HG GLU 86 0.977 -13.214 -0.461 665 H PHE 87 H PHE 87 -1.706 -15.009 -3.662 666 HA PHE 87 HA PHE 87 -2.099 -17.777 -4.189 667 1HB PHE 87 1HB PHE 87 -3.844 -15.944 -4.360 668 2HB PHE 87 2HB PHE 87 -3.159 -15.528 -5.931 669 HD1 PHE 87 HD1 PHE 87 -5.241 -17.878 -4.067 670 HD2 PHE 87 HD2 PHE 87 -3.124 -17.356 -7.813 671 HE1 PHE 87 HE1 PHE 87 -6.495 -19.772 -5.062 672 HE2 PHE 87 HE2 PHE 87 -4.377 -19.234 -8.770 673 HZ PHE 87 HZ PHE 87 -6.060 -20.459 -7.411 674 H PHE 88 H PHE 88 -0.321 -15.289 -5.948 675 HA PHE 88 HA PHE 88 0.019 -16.524 -8.399 676 1HB PHE 88 1HB PHE 88 0.826 -14.207 -7.346 677 2HB PHE 88 2HB PHE 88 2.361 -15.067 -7.198 678 HD1 PHE 88 HD1 PHE 88 0.087 -13.336 -9.452 679 HD2 PHE 88 HD2 PHE 88 3.466 -16.014 -9.288 680 HE1 PHE 88 HE1 PHE 88 0.651 -12.783 -11.801 681 HE2 PHE 88 HE2 PHE 88 4.002 -15.486 -11.641 682 HZ PHE 88 HZ PHE 88 2.606 -13.855 -12.903 683 H GLU 89 H GLU 89 1.383 -17.627 -5.339 684 HA GLU 89 HA GLU 89 3.580 -19.169 -6.312 685 1HB GLU 89 1HB GLU 89 1.519 -19.714 -4.136 686 2HB GLU 89 2HB GLU 89 2.950 -20.720 -4.417 687 1HG GLU 89 1HG GLU 89 4.445 -18.846 -3.989 688 2HG GLU 89 2HG GLU 89 3.086 -17.724 -3.830 689 H HIS 90 H HIS 90 0.045 -19.715 -6.399 690 HA HIS 90 HA HIS 90 0.227 -22.232 -7.903 691 1HB HIS 90 1HB HIS 90 -2.152 -20.358 -7.633 692 2HB HIS 90 2HB HIS 90 -2.159 -22.077 -8.020 693 HD1 HIS 90 HD1 HIS 90 -3.444 -20.144 -5.519 694 HD2 HIS 90 HD2 HIS 90 -0.681 -23.320 -5.524 695 HE1 HIS 90 HE1 HIS 90 -3.643 -21.301 -3.243 696 H GLU 91 H GLU 91 1.872 -21.006 -9.391 697 HA GLU 91 HA GLU 91 0.884 -18.969 -11.109 698 1HB GLU 91 1HB GLU 91 3.077 -21.048 -11.641 699 2HB GLU 91 2HB GLU 91 2.778 -19.609 -12.632 700 1HG GLU 91 1HG GLU 91 3.147 -18.170 -10.636 701 2HG GLU 91 2HG GLU 91 3.600 -19.607 -9.695 702 1H SER 1 1H SER 1 -9.134 -4.536 -13.955 703 2H SER 1 2H SER 1 -10.052 -4.565 -15.314 704 3H SER 1 3H SER 1 -8.410 -4.375 -15.430 705 HA SER 1 HA SER 1 -9.567 -2.339 -15.833 706 1HB SER 1 1HB SER 1 -10.474 -2.636 -12.968 707 2HB SER 1 2HB SER 1 -10.902 -1.309 -14.093 708 HG SER 1 HG SER 1 -12.572 -2.824 -13.995 709 H GLU 2 H GLU 2 -9.046 -0.162 -14.319 710 HA GLU 2 HA GLU 2 -6.312 -0.039 -14.647 711 1HB GLU 2 1HB GLU 2 -7.913 1.876 -14.699 712 2HB GLU 2 2HB GLU 2 -8.011 1.827 -12.933 713 1HG GLU 2 1HG GLU 2 -6.463 3.576 -13.709 714 2HG GLU 2 2HG GLU 2 -5.596 2.352 -12.772 715 H LEU 3 H LEU 3 -8.009 -0.181 -11.449 716 HA LEU 3 HA LEU 3 -5.587 -0.153 -9.925 717 1HB LEU 3 1HB LEU 3 -8.222 -1.480 -9.212 718 2HB LEU 3 2HB LEU 3 -6.882 -1.153 -8.100 719 HG LEU 3 HG LEU 3 -8.506 0.988 -9.546 720 1HD1 LEU 3 1HD1 LEU 3 -9.469 1.390 -7.304 721 2HD1 LEU 3 2HD1 LEU 3 -9.771 -0.288 -7.795 722 3HD1 LEU 3 3HD1 LEU 3 -8.488 0.076 -6.629 723 1HD2 LEU 3 1HD2 LEU 3 -6.367 1.218 -7.413 724 2HD2 LEU 3 2HD2 LEU 3 -6.269 1.830 -9.088 725 3HD2 LEU 3 3HD2 LEU 3 -7.416 2.543 -7.950 726 H GLU 4 H GLU 4 -7.436 -2.818 -11.413 727 HA GLU 4 HA GLU 4 -5.894 -4.935 -10.320 728 1HB GLU 4 1HB GLU 4 -7.214 -5.086 -13.040 729 2HB GLU 4 2HB GLU 4 -6.902 -6.366 -11.856 730 1HG GLU 4 1HG GLU 4 -8.398 -4.937 -10.249 731 2HG GLU 4 2HG GLU 4 -8.924 -4.119 -11.735 732 H LYS 5 H LYS 5 -5.445 -2.924 -13.244 733 HA LYS 5 HA LYS 5 -3.263 -4.396 -14.330 734 1HB LYS 5 1HB LYS 5 -4.558 -2.768 -15.632 735 2HB LYS 5 2HB LYS 5 -3.975 -1.452 -14.621 736 1HG LYS 5 1HG LYS 5 -2.785 -1.548 -16.754 737 2HG LYS 5 2HG LYS 5 -1.702 -1.725 -15.379 738 1HD LYS 5 1HD LYS 5 -1.092 -3.227 -17.212 739 2HD LYS 5 2HD LYS 5 -1.510 -4.150 -15.771 740 1HE LYS 5 1HE LYS 5 -3.756 -4.645 -16.728 741 2HE LYS 5 2HE LYS 5 -3.396 -3.614 -18.126 742 1HZ LYS 5 1HZ LYS 5 -1.965 -6.066 -17.383 743 2HZ LYS 5 2HZ LYS 5 -3.066 -5.916 -18.598 744 3HZ LYS 5 3HZ LYS 5 -1.628 -5.116 -18.688 745 H ALA 6 H ALA 6 -3.396 -1.470 -12.272 746 HA ALA 6 HA ALA 6 -0.647 -1.111 -11.770 747 1HB ALA 6 1HB ALA 6 -1.461 0.026 -9.680 748 2HB ALA 6 2HB ALA 6 -2.363 0.500 -11.141 749 3HB ALA 6 3HB ALA 6 -3.075 -0.639 -9.992 750 H VAL 7 H VAL 7 -3.011 -3.071 -9.938 751 HA VAL 7 HA VAL 7 -1.322 -4.150 -7.976 752 HB VAL 7 HB VAL 7 -3.892 -4.954 -9.319 753 1HG1 VAL 7 1HG1 VAL 7 -3.058 -7.144 -8.919 754 2HG1 VAL 7 2HG1 VAL 7 -2.532 -6.728 -7.281 755 3HG1 VAL 7 3HG1 VAL 7 -4.251 -6.727 -7.685 756 1HG2 VAL 7 1HG2 VAL 7 -3.811 -3.113 -7.629 757 2HG2 VAL 7 2HG2 VAL 7 -4.840 -4.470 -7.137 758 3HG2 VAL 7 3HG2 VAL 7 -3.215 -4.279 -6.452 759 H VAL 8 H VAL 8 -2.191 -5.716 -11.165 760 HA VAL 8 HA VAL 8 -0.343 -7.839 -10.601 761 HB VAL 8 HB VAL 8 -0.614 -8.618 -12.840 762 1HG1 VAL 8 1HG1 VAL 8 -3.264 -7.742 -11.613 763 2HG1 VAL 8 2HG1 VAL 8 -3.010 -9.082 -12.743 764 3HG1 VAL 8 3HG1 VAL 8 -2.301 -9.150 -11.121 765 1HG2 VAL 8 1HG2 VAL 8 -0.695 -6.513 -14.115 766 2HG2 VAL 8 2HG2 VAL 8 -2.106 -7.533 -14.452 767 3HG2 VAL 8 3HG2 VAL 8 -2.264 -6.139 -13.377 768 H ALA 9 H ALA 9 0.097 -4.692 -12.231 769 HA ALA 9 HA ALA 9 2.721 -5.184 -13.200 770 1HB ALA 9 1HB ALA 9 3.037 -2.774 -13.124 771 2HB ALA 9 2HB ALA 9 1.431 -3.167 -13.771 772 3HB ALA 9 3HB ALA 9 1.602 -2.571 -12.107 773 H LEU 10 H LEU 10 1.639 -3.960 -9.967 774 HA LEU 10 HA LEU 10 4.204 -3.789 -8.774 775 1HB LEU 10 1HB LEU 10 1.399 -4.130 -7.752 776 2HB LEU 10 2HB LEU 10 2.684 -4.691 -6.691 777 HG LEU 10 HG LEU 10 3.799 -2.464 -6.859 778 1HD1 LEU 10 1HD1 LEU 10 2.651 -1.677 -8.966 779 2HD1 LEU 10 2HD1 LEU 10 1.125 -1.610 -8.053 780 3HD1 LEU 10 3HD1 LEU 10 2.475 -0.548 -7.606 781 1HD2 LEU 10 1HD2 LEU 10 2.204 -1.399 -5.295 782 2HD2 LEU 10 2HD2 LEU 10 0.963 -2.584 -5.751 783 3HD2 LEU 10 3HD2 LEU 10 2.445 -3.114 -4.927 784 H ILE 11 H ILE 11 1.955 -6.569 -8.838 785 HA ILE 11 HA ILE 11 3.623 -8.329 -7.350 786 HB ILE 11 HB ILE 11 1.440 -8.860 -9.399 787 1HG1 ILE 11 1HG1 ILE 11 1.480 -8.910 -6.350 788 2HG1 ILE 11 2HG1 ILE 11 0.829 -7.592 -7.311 789 1HG2 ILE 11 1HG2 ILE 11 2.763 -10.812 -7.470 790 2HG2 ILE 11 2HG2 ILE 11 1.316 -11.154 -8.439 791 3HG2 ILE 11 3HG2 ILE 11 2.840 -10.868 -9.247 792 1HD1 ILE 11 1HD1 ILE 11 -0.811 -9.206 -8.340 793 2HD1 ILE 11 2HD1 ILE 11 -0.286 -10.405 -7.131 794 3HD1 ILE 11 3HD1 ILE 11 -1.018 -8.886 -6.609 795 H ASP 12 H ASP 12 3.241 -8.025 -10.897 796 HA ASP 12 HA ASP 12 5.038 -10.087 -11.572 797 1HB ASP 12 1HB ASP 12 3.379 -9.180 -13.134 798 2HB ASP 12 2HB ASP 12 4.228 -7.625 -13.175 799 H VAL 13 H VAL 13 5.604 -6.512 -11.422 800 HA VAL 13 HA VAL 13 8.348 -6.629 -12.191 801 HB VAL 13 HB VAL 13 6.783 -4.648 -10.482 802 1HG1 VAL 13 1HG1 VAL 13 8.709 -3.084 -10.881 803 2HG1 VAL 13 2HG1 VAL 13 9.118 -4.407 -9.786 804 3HG1 VAL 13 3HG1 VAL 13 9.664 -4.455 -11.477 805 1HG2 VAL 13 1HG2 VAL 13 6.941 -3.283 -12.534 806 2HG2 VAL 13 2HG2 VAL 13 7.943 -4.534 -13.307 807 3HG2 VAL 13 3HG2 VAL 13 6.236 -4.857 -12.945 808 H PHE 14 H PHE 14 6.837 -6.521 -8.918 809 HA PHE 14 HA PHE 14 9.184 -6.686 -7.422 810 1HB PHE 14 1HB PHE 14 6.968 -6.287 -6.470 811 2HB PHE 14 2HB PHE 14 6.475 -7.934 -6.849 812 HD1 PHE 14 HD1 PHE 14 8.096 -5.808 -4.412 813 HD2 PHE 14 HD2 PHE 14 7.706 -9.888 -5.750 814 HE1 PHE 14 HE1 PHE 14 8.688 -6.630 -2.147 815 HE2 PHE 14 HE2 PHE 14 8.371 -10.680 -3.524 816 HZ PHE 14 HZ PHE 14 8.847 -9.054 -1.694 817 H HIS 15 H HIS 15 7.189 -9.423 -8.699 818 HA HIS 15 HA HIS 15 8.695 -11.533 -7.667 819 1HB HIS 15 1HB HIS 15 7.123 -11.310 -10.244 820 2HB HIS 15 2HB HIS 15 7.890 -12.802 -9.711 821 HD1 HIS 15 HD1 HIS 15 7.042 -12.505 -6.545 822 HD2 HIS 15 HD2 HIS 15 4.718 -12.507 -10.058 823 HE1 HIS 15 HE1 HIS 15 4.756 -13.446 -5.925 824 H GLN 16 H GLN 16 9.580 -9.447 -10.455 825 HA GLN 16 HA GLN 16 11.624 -11.329 -11.369 826 1HB GLN 16 1HB GLN 16 11.658 -8.312 -11.778 827 2HB GLN 16 2HB GLN 16 12.440 -9.582 -12.732 828 1HG GLN 16 1HG GLN 16 9.528 -8.805 -12.642 829 2HG GLN 16 2HG GLN 16 10.615 -8.831 -14.021 830 1HE2 GLN 16 1HE2 GLN 16 8.140 -10.517 -12.481 831 2HE2 GLN 16 2HE2 GLN 16 8.393 -12.085 -13.251 832 H TYR 17 H TYR 17 11.596 -8.350 -9.392 833 HA TYR 17 HA TYR 17 14.388 -8.316 -8.823 834 1HB TYR 17 1HB TYR 17 11.995 -7.000 -7.581 835 2HB TYR 17 2HB TYR 17 13.594 -6.867 -6.853 836 HD1 TYR 17 HD1 TYR 17 15.387 -5.617 -7.825 837 HD2 TYR 17 HD2 TYR 17 11.693 -6.137 -9.984 838 HE1 TYR 17 HE1 TYR 17 16.068 -3.869 -9.422 839 HE2 TYR 17 HE2 TYR 17 12.387 -4.395 -11.594 840 HH TYR 17 HH TYR 17 13.955 -2.817 -12.106 841 H SER 18 H SER 18 11.669 -9.517 -6.789 842 HA SER 18 HA SER 18 13.307 -10.550 -4.656 843 1HB SER 18 1HB SER 18 11.217 -11.790 -4.115 844 2HB SER 18 2HB SER 18 11.000 -10.035 -4.293 845 HG SER 18 HG SER 18 9.428 -11.366 -5.484 846 H GLY 19 H GLY 19 12.544 -11.731 -7.896 847 1HA GLY 19 1HA GLY 19 13.165 -14.511 -7.443 848 2HA GLY 19 2HA GLY 19 13.113 -13.632 -8.980 849 H ARG 20 H ARG 20 15.019 -11.583 -8.476 850 HA ARG 20 HA ARG 20 17.303 -13.047 -9.321 851 1HB ARG 20 1HB ARG 20 17.687 -10.264 -8.243 852 2HB ARG 20 2HB ARG 20 18.433 -11.066 -9.626 853 1HG ARG 20 1HG ARG 20 16.040 -10.968 -10.691 854 2HG ARG 20 2HG ARG 20 15.687 -9.902 -9.329 855 1HD ARG 20 1HD ARG 20 17.683 -8.487 -9.978 856 2HD ARG 20 2HD ARG 20 17.684 -9.329 -11.532 857 HE ARG 20 HE ARG 20 15.930 -7.242 -10.592 858 1HH1 ARG 20 1HH2 ARG 20 15.933 -10.104 -12.645 859 2HH1 ARG 20 2HH2 ARG 20 14.594 -9.588 -13.636 860 1HH2 ARG 20 1HH1 ARG 20 14.142 -6.575 -11.805 861 2HH2 ARG 20 2HH1 ARG 20 13.559 -7.520 -13.149 862 H GLU 21 H GLU 21 16.677 -11.332 -6.244 863 HA GLU 21 HA GLU 21 18.414 -13.298 -4.868 864 1HB GLU 21 1HB GLU 21 18.616 -10.332 -4.325 865 2HB GLU 21 2HB GLU 21 19.400 -11.626 -3.424 866 1HG GLU 21 1HG GLU 21 20.647 -12.281 -5.490 867 2HG GLU 21 2HG GLU 21 19.937 -10.899 -6.337 868 H GLY 22 H GLY 22 16.823 -14.365 -3.858 869 1HA GLY 22 1HA GLY 22 15.830 -13.744 -1.495 870 2HA GLY 22 2HA GLY 22 14.612 -12.947 -2.509 871 H ASP 23 H ASP 23 13.168 -14.176 -3.611 872 HA ASP 23 HA ASP 23 13.186 -16.989 -4.039 873 1HB ASP 23 1HB ASP 23 11.785 -17.816 -2.236 874 2HB ASP 23 2HB ASP 23 13.212 -17.101 -1.505 875 H LYS 24 H LYS 24 12.186 -14.374 -5.189 876 HA LYS 24 HA LYS 24 10.459 -13.673 -6.419 877 1HB LYS 24 1HB LYS 24 10.185 -16.293 -6.703 878 2HB LYS 24 2HB LYS 24 8.688 -16.010 -5.796 879 1HG LYS 24 1HG LYS 24 8.014 -14.356 -7.531 880 2HG LYS 24 2HG LYS 24 9.543 -14.603 -8.369 881 1HD LYS 24 1HD LYS 24 7.788 -15.859 -9.494 882 2HD LYS 24 2HD LYS 24 8.979 -16.960 -8.799 883 1HE LYS 24 1HE LYS 24 6.673 -17.778 -8.508 884 2HE LYS 24 2HE LYS 24 7.443 -17.511 -6.943 885 1HZ LYS 24 1HZ LYS 24 5.207 -16.680 -7.037 886 2HZ LYS 24 2HZ LYS 24 6.274 -15.454 -6.776 887 3HZ LYS 24 3HZ LYS 24 5.590 -15.647 -8.265 888 H HIS 25 H HIS 25 9.965 -14.407 -3.055 889 HA HIS 25 HA HIS 25 7.513 -12.698 -2.906 890 1HB HIS 25 1HB HIS 25 8.432 -15.031 -1.210 891 2HB HIS 25 2HB HIS 25 7.017 -14.016 -0.897 892 HD1 HIS 25 HD1 HIS 25 5.240 -13.914 -3.118 893 HD2 HIS 25 HD2 HIS 25 7.998 -17.078 -2.859 894 HE1 HIS 25 HE1 HIS 25 4.435 -15.721 -4.742 895 H LYS 26 H LYS 26 10.831 -12.965 -1.719 896 HA LYS 26 HA LYS 26 10.312 -10.625 0.052 897 1HB LYS 26 1HB LYS 26 12.620 -12.530 0.324 898 2HB LYS 26 2HB LYS 26 12.012 -11.368 1.509 899 1HG LYS 26 1HG LYS 26 10.693 -13.986 0.676 900 2HG LYS 26 2HG LYS 26 11.611 -13.703 2.144 901 1HD LYS 26 1HD LYS 26 9.892 -12.099 2.929 902 2HD LYS 26 2HD LYS 26 8.968 -12.389 1.432 903 1HE LYS 26 1HE LYS 26 8.839 -14.813 1.964 904 2HE LYS 26 2HE LYS 26 9.694 -14.521 3.493 905 1HZ LYS 26 1HZ LYS 26 7.880 -13.189 4.210 906 2HZ LYS 26 2HZ LYS 26 7.124 -13.319 2.745 907 3HZ LYS 26 3HZ LYS 26 7.292 -14.648 3.703 908 H LEU 27 H LEU 27 11.825 -8.901 -0.067 909 HA LEU 27 HA LEU 27 13.807 -8.937 -2.338 910 1HB LEU 27 1HB LEU 27 12.443 -6.661 -0.858 911 2HB LEU 27 2HB LEU 27 13.756 -6.438 -2.015 912 HG LEU 27 HG LEU 27 11.138 -7.724 -2.810 913 1HD1 LEU 27 1HD1 LEU 27 10.747 -5.443 -1.852 914 2HD1 LEU 27 2HD1 LEU 27 12.030 -4.805 -2.897 915 3HD1 LEU 27 3HD1 LEU 27 10.528 -5.422 -3.614 916 1HD2 LEU 27 1HD2 LEU 27 11.772 -7.008 -5.057 917 2HD2 LEU 27 2HD2 LEU 27 13.218 -6.193 -4.447 918 3HD2 LEU 27 3HD2 LEU 27 13.104 -7.973 -4.385 919 H LYS 28 H LYS 28 15.955 -8.874 -1.724 920 HA LYS 28 HA LYS 28 16.703 -8.379 1.080 921 1HB LYS 28 1HB LYS 28 18.547 -8.532 -1.327 922 2HB LYS 28 2HB LYS 28 18.936 -8.745 0.386 923 1HG LYS 28 1HG LYS 28 17.092 -10.718 0.122 924 2HG LYS 28 2HG LYS 28 17.622 -10.584 -1.565 925 1HD LYS 28 1HD LYS 28 19.989 -10.857 -0.815 926 2HD LYS 28 2HD LYS 28 19.434 -11.003 0.866 927 1HE LYS 28 1HE LYS 28 18.613 -12.915 -1.376 928 2HE LYS 28 2HE LYS 28 19.961 -13.196 -0.258 929 1HZ LYS 28 1HZ LYS 28 18.408 -13.104 1.552 930 2HZ LYS 28 2HZ LYS 28 17.141 -12.913 0.513 931 3HZ LYS 28 3HZ LYS 28 18.026 -14.296 0.485 932 H LYS 29 H LYS 29 18.417 -6.639 1.493 933 HA LYS 29 HA LYS 29 17.472 -4.067 0.866 934 1HB LYS 29 1HB LYS 29 19.582 -3.238 1.762 935 2HB LYS 29 2HB LYS 29 18.832 -4.447 2.797 936 1HG LYS 29 1HG LYS 29 20.452 -6.159 1.943 937 2HG LYS 29 2HG LYS 29 21.186 -4.915 0.908 938 1HD LYS 29 1HD LYS 29 21.759 -3.573 2.919 939 2HD LYS 29 2HD LYS 29 20.961 -4.766 3.951 940 1HE LYS 29 1HE LYS 29 23.364 -5.121 4.021 941 2HE LYS 29 2HE LYS 29 22.590 -6.502 3.230 942 1HZ LYS 29 1HZ LYS 29 23.926 -4.263 1.867 943 2HZ LYS 29 2HZ LYS 29 24.548 -5.774 2.079 944 3HZ LYS 29 3HZ LYS 29 23.226 -5.557 1.123 945 H SER 30 H SER 30 19.810 -6.036 -1.001 946 HA SER 30 HA SER 30 20.749 -3.928 -2.691 947 1HB SER 30 1HB SER 30 21.138 -6.080 -4.168 948 2HB SER 30 2HB SER 30 22.001 -5.945 -2.623 949 HG SER 30 HG SER 30 20.755 -7.987 -3.083 950 H GLU 31 H GLU 31 18.189 -6.463 -3.075 951 HA GLU 31 HA GLU 31 17.387 -5.537 -5.672 952 1HB GLU 31 1HB GLU 31 15.814 -7.191 -3.633 953 2HB GLU 31 2HB GLU 31 15.411 -6.990 -5.344 954 1HG GLU 31 1HG GLU 31 17.928 -8.280 -4.248 955 2HG GLU 31 2HG GLU 31 16.561 -9.150 -4.979 956 H LEU 32 H LEU 32 16.101 -5.011 -2.410 957 HA LEU 32 HA LEU 32 13.896 -3.394 -3.019 958 1HB LEU 32 1HB LEU 32 14.385 -4.457 -0.865 959 2HB LEU 32 2HB LEU 32 15.787 -3.405 -0.619 960 HG LEU 32 HG LEU 32 13.707 -2.951 0.697 961 1HD1 LEU 32 1HD1 LEU 32 14.777 -0.607 -0.916 962 2HD1 LEU 32 2HD1 LEU 32 13.919 -0.519 0.623 963 3HD1 LEU 32 3HD1 LEU 32 15.505 -1.303 0.538 964 1HD2 LEU 32 1HD2 LEU 32 12.043 -3.273 -1.072 965 2HD2 LEU 32 2HD2 LEU 32 11.874 -1.708 -0.267 966 3HD2 LEU 32 3HD2 LEU 32 12.604 -1.793 -1.884 967 H LYS 33 H LYS 33 17.296 -2.409 -2.222 968 HA LYS 33 HA LYS 33 16.964 0.359 -2.549 969 1HB LYS 33 1HB LYS 33 18.972 -0.546 -1.624 970 2HB LYS 33 2HB LYS 33 19.328 -1.496 -3.059 971 1HG LYS 33 1HG LYS 33 19.653 0.675 -4.351 972 2HG LYS 33 2HG LYS 33 19.379 1.547 -2.836 973 1HD LYS 33 1HD LYS 33 21.357 0.098 -1.919 974 2HD LYS 33 2HD LYS 33 21.640 -0.353 -3.601 975 1HE LYS 33 1HE LYS 33 21.729 2.456 -2.396 976 2HE LYS 33 2HE LYS 33 23.097 1.517 -3.000 977 1HZ LYS 33 1HZ LYS 33 22.142 1.646 -5.188 978 2HZ LYS 33 2HZ LYS 33 20.869 2.530 -4.622 979 3HZ LYS 33 3HZ LYS 33 22.392 3.152 -4.563 980 H GLU 34 H GLU 34 18.076 -2.052 -5.006 981 HA GLU 34 HA GLU 34 18.425 -0.065 -7.017 982 1HB GLU 34 1HB GLU 34 19.493 -2.271 -7.164 983 2HB GLU 34 2HB GLU 34 17.919 -3.087 -7.219 984 1HG GLU 34 1HG GLU 34 17.409 -2.085 -9.385 985 2HG GLU 34 2HG GLU 34 18.896 -1.120 -9.331 986 H LEU 35 H LEU 35 15.754 -2.322 -6.355 987 HA LEU 35 HA LEU 35 14.000 -1.634 -8.392 988 1HB LEU 35 1HB LEU 35 13.732 -3.512 -6.955 989 2HB LEU 35 2HB LEU 35 13.570 -2.495 -5.515 990 HG LEU 35 HG LEU 35 11.401 -1.696 -6.217 991 1HD1 LEU 35 1HD1 LEU 35 11.709 -1.559 -8.670 992 2HD1 LEU 35 2HD1 LEU 35 11.857 -3.321 -8.757 993 3HD1 LEU 35 3HD1 LEU 35 10.318 -2.585 -8.308 994 1HD2 LEU 35 1HD2 LEU 35 11.594 -4.695 -6.604 995 2HD2 LEU 35 2HD2 LEU 35 11.494 -3.822 -5.055 996 3HD2 LEU 35 3HD2 LEU 35 10.128 -3.778 -6.189 997 H ILE 36 H ILE 36 14.185 -0.114 -5.064 998 HA ILE 36 HA ILE 36 12.145 1.780 -5.708 999 HB ILE 36 HB ILE 36 14.355 2.007 -3.644 1000 1HG1 ILE 36 1HG1 ILE 36 11.388 1.271 -3.360 1001 2HG1 ILE 36 2HG1 ILE 36 12.690 0.094 -3.361 1002 1HG2 ILE 36 1HG2 ILE 36 13.287 4.242 -4.348 1003 2HG2 ILE 36 2HG2 ILE 36 11.734 3.538 -3.910 1004 3HG2 ILE 36 3HG2 ILE 36 12.972 3.810 -2.673 1005 1HD1 ILE 36 1HD1 ILE 36 12.243 2.283 -1.295 1006 2HD1 ILE 36 2HD1 ILE 36 12.134 0.543 -1.069 1007 3HD1 ILE 36 3HD1 ILE 36 13.711 1.306 -1.382 1008 H ASN 37 H ASN 37 15.741 2.119 -5.854 1009 HA ASN 37 HA ASN 37 15.806 4.837 -6.684 1010 1HB ASN 37 1HB ASN 37 17.655 2.499 -7.332 1011 2HB ASN 37 2HB ASN 37 17.926 4.133 -7.966 1012 1HD2 ASN 37 2HD2 ASN 37 17.680 2.286 -4.934 1013 2HD2 ASN 37 1HD2 ASN 37 18.709 3.383 -4.021 1014 H ASN 38 H ASN 38 15.591 1.874 -8.617 1015 HA ASN 38 HA ASN 38 15.642 3.105 -11.177 1016 1HB ASN 38 1HB ASN 38 16.200 0.730 -10.644 1017 2HB ASN 38 2HB ASN 38 14.483 0.416 -10.302 1018 1HD2 ASN 38 2HD2 ASN 38 15.293 -1.285 -12.037 1019 2HD2 ASN 38 1HD2 ASN 38 14.998 -0.796 -13.708 1020 H GLU 39 H GLU 39 12.877 1.778 -9.231 1021 HA GLU 39 HA GLU 39 11.066 2.703 -11.296 1022 1HB GLU 39 1HB GLU 39 10.631 1.152 -8.732 1023 2HB GLU 39 2HB GLU 39 9.345 1.629 -9.848 1024 1HG GLU 39 1HG GLU 39 11.745 -0.011 -10.754 1025 2HG GLU 39 2HG GLU 39 10.206 -0.708 -10.224 1026 H LEU 40 H LEU 40 11.684 3.756 -7.916 1027 HA LEU 40 HA LEU 40 9.533 5.801 -8.164 1028 1HB LEU 40 1HB LEU 40 11.365 4.939 -5.910 1029 2HB LEU 40 2HB LEU 40 10.586 6.504 -5.873 1030 HG LEU 40 HG LEU 40 8.354 5.429 -6.177 1031 1HD1 LEU 40 1HD1 LEU 40 9.951 2.904 -5.590 1032 2HD1 LEU 40 2HD1 LEU 40 8.180 3.032 -5.535 1033 3HD1 LEU 40 3HD1 LEU 40 9.022 3.252 -7.075 1034 1HD2 LEU 40 1HD2 LEU 40 8.955 6.224 -4.024 1035 2HD2 LEU 40 2HD2 LEU 40 8.279 4.603 -3.793 1036 3HD2 LEU 40 3HD2 LEU 40 10.027 4.855 -3.710 1037 H SER 41 H SER 41 11.137 6.070 -10.266 1038 HA SER 41 HA SER 41 13.628 7.245 -9.951 1039 1HB SER 41 1HB SER 41 12.900 8.021 -12.446 1040 2HB SER 41 2HB SER 41 13.275 6.345 -12.025 1041 HG SER 41 HG SER 41 10.626 7.424 -12.073 1042 H HIS 42 H HIS 42 10.456 8.780 -10.102 1043 HA HIS 42 HA HIS 42 11.679 11.514 -9.921 1044 1HB HIS 42 1HB HIS 42 9.829 11.448 -11.453 1045 2HB HIS 42 2HB HIS 42 8.820 10.558 -10.308 1046 HD1 HIS 42 HD1 HIS 42 10.716 13.956 -10.056 1047 HD2 HIS 42 HD2 HIS 42 7.144 12.016 -8.979 1048 HE1 HIS 42 HE1 HIS 42 9.361 15.624 -8.682 1049 H PHE 43 H PHE 43 9.659 9.127 -8.246 1050 HA PHE 43 HA PHE 43 8.814 10.730 -6.144 1051 1HB PHE 43 1HB PHE 43 8.927 7.809 -6.620 1052 2HB PHE 43 2HB PHE 43 8.668 8.367 -4.971 1053 HD1 PHE 43 HD1 PHE 43 7.431 9.639 -8.340 1054 HD2 PHE 43 HD2 PHE 43 6.426 8.255 -4.391 1055 HE1 PHE 43 HE1 PHE 43 5.037 9.971 -8.833 1056 HE2 PHE 43 HE2 PHE 43 4.017 8.521 -4.909 1057 HZ PHE 43 HZ PHE 43 3.324 9.445 -7.113 1058 H LEU 44 H LEU 44 11.674 8.491 -6.075 1059 HA LEU 44 HA LEU 44 12.725 10.073 -3.763 1060 1HB LEU 44 1HB LEU 44 12.456 7.105 -4.063 1061 2HB LEU 44 2HB LEU 44 14.008 7.720 -3.499 1062 HG LEU 44 HG LEU 44 12.847 9.068 -1.746 1063 1HD1 LEU 44 1HD1 LEU 44 10.565 8.300 -1.058 1064 2HD1 LEU 44 2HD1 LEU 44 10.548 9.124 -2.618 1065 3HD1 LEU 44 3HD1 LEU 44 10.459 7.351 -2.555 1066 1HD2 LEU 44 1HD2 LEU 44 12.521 7.124 -0.246 1067 2HD2 LEU 44 2HD2 LEU 44 12.498 6.042 -1.656 1068 3HD2 LEU 44 3HD2 LEU 44 13.974 6.942 -1.242 1069 H GLU 45 H GLU 45 14.659 10.946 -4.107 1070 HA GLU 45 HA GLU 45 16.058 10.454 -6.640 1071 1HB GLU 45 1HB GLU 45 17.615 12.193 -5.880 1072 2HB GLU 45 2HB GLU 45 15.934 12.721 -5.934 1073 1HG GLU 45 1HG GLU 45 15.785 12.442 -3.442 1074 2HG GLU 45 2HG GLU 45 17.499 11.990 -3.424 1075 H GLU 46 H GLU 46 18.444 10.056 -6.540 1076 HA GLU 46 HA GLU 46 18.834 7.492 -6.035 1077 1HB GLU 46 1HB GLU 46 20.321 8.978 -7.383 1078 2HB GLU 46 2HB GLU 46 21.018 9.622 -5.882 1079 1HG GLU 46 1HG GLU 46 21.835 7.331 -5.313 1080 2HG GLU 46 2HG GLU 46 21.150 6.722 -6.829 1081 H ILE 47 H ILE 47 18.785 6.234 -4.364 1082 HA ILE 47 HA ILE 47 19.005 7.309 -1.652 1083 HB ILE 47 HB ILE 47 18.293 4.478 -2.416 1084 1HG1 ILE 47 1HG1 ILE 47 16.402 6.862 -2.247 1085 2HG1 ILE 47 2HG1 ILE 47 16.888 6.114 -3.780 1086 1HG2 ILE 47 1HG2 ILE 47 17.314 6.254 -0.139 1087 2HG2 ILE 47 2HG2 ILE 47 17.138 4.502 -0.288 1088 3HG2 ILE 47 3HG2 ILE 47 18.731 5.211 0.022 1089 1HD1 ILE 47 1HD1 ILE 47 15.341 4.667 -1.643 1090 2HD1 ILE 47 2HD1 ILE 47 14.785 5.342 -3.191 1091 3HD1 ILE 47 3HD1 ILE 47 15.954 4.004 -3.189 1092 H LYS 48 H LYS 48 21.305 7.718 -2.298 1093 HA LYS 48 HA LYS 48 23.195 5.856 -2.885 1094 1HB LYS 48 1HB LYS 48 23.503 8.366 -2.783 1095 2HB LYS 48 2HB LYS 48 23.546 8.249 -1.029 1096 1HG LYS 48 1HG LYS 48 25.773 8.289 -1.374 1097 2HG LYS 48 2HG LYS 48 25.590 6.549 -1.532 1098 1HD LYS 48 1HD LYS 48 25.786 8.625 -3.750 1099 2HD LYS 48 2HD LYS 48 26.989 7.409 -3.286 1100 1HE LYS 48 1HE LYS 48 25.405 5.603 -4.006 1101 2HE LYS 48 2HE LYS 48 24.261 6.858 -4.540 1102 1HZ LYS 48 1HZ LYS 48 25.844 7.638 -6.076 1103 2HZ LYS 48 2HZ LYS 48 26.971 6.533 -5.590 1104 3HZ LYS 48 3HZ LYS 48 25.584 6.033 -6.327 1105 H GLU 49 H GLU 49 22.582 6.925 0.476 1106 HA GLU 49 HA GLU 49 24.603 5.261 1.546 1107 1HB GLU 49 1HB GLU 49 22.225 6.651 2.852 1108 2HB GLU 49 2HB GLU 49 23.516 5.839 3.751 1109 1HG GLU 49 1HG GLU 49 25.204 7.333 2.752 1110 2HG GLU 49 2HG GLU 49 23.950 8.161 1.815 1111 H GLN 50 H GLN 50 24.479 3.042 1.276 1112 HA GLN 50 HA GLN 50 22.122 1.490 1.357 1113 1HB GLN 50 1HB GLN 50 24.967 0.659 2.013 1114 2HB GLN 50 2HB GLN 50 23.586 -0.430 1.879 1115 1HG GLN 50 1HG GLN 50 24.136 -0.643 -0.276 1116 2HG GLN 50 2HG GLN 50 23.319 0.897 -0.509 1117 1HE2 GLN 50 1HE2 GLN 50 24.674 2.841 -0.926 1118 2HE2 GLN 50 2HE2 GLN 50 26.391 2.626 -1.200 1119 H GLU 51 H GLU 51 23.928 2.912 3.988 1120 HA GLU 51 HA GLU 51 22.900 1.416 6.163 1121 1HB GLU 51 1HB GLU 51 23.214 4.455 6.186 1122 2HB GLU 51 2HB GLU 51 23.347 3.308 7.514 1123 1HG GLU 51 1HG GLU 51 25.568 3.709 7.150 1124 2HG GLU 51 2HG GLU 51 25.378 2.337 6.057 1125 H VAL 52 H VAL 52 21.486 4.095 4.233 1126 HA VAL 52 HA VAL 52 19.087 4.224 5.878 1127 HB VAL 52 HB VAL 52 19.734 5.550 3.218 1128 1HG1 VAL 52 1HG1 VAL 52 17.457 5.927 5.219 1129 2HG1 VAL 52 2HG1 VAL 52 17.822 7.060 3.913 1130 3HG1 VAL 52 3HG1 VAL 52 17.312 5.414 3.522 1131 1HG2 VAL 52 1HG2 VAL 52 20.086 7.548 4.651 1132 2HG2 VAL 52 2HG2 VAL 52 19.798 6.574 6.101 1133 3HG2 VAL 52 3HG2 VAL 52 21.225 6.276 5.091 1134 H VAL 53 H VAL 53 19.949 2.878 2.586 1135 HA VAL 53 HA VAL 53 17.355 2.010 2.015 1136 HB VAL 53 HB VAL 53 18.097 0.760 0.356 1137 1HG1 VAL 53 1HG1 VAL 53 20.385 2.700 0.713 1138 2HG1 VAL 53 2HG1 VAL 53 20.017 1.808 -0.746 1139 3HG1 VAL 53 3HG1 VAL 53 18.830 2.933 -0.095 1140 1HG2 VAL 53 1HG2 VAL 53 20.597 -0.046 1.822 1141 2HG2 VAL 53 2HG2 VAL 53 19.233 -1.034 1.294 1142 3HG2 VAL 53 3HG2 VAL 53 20.345 -0.346 0.116 1143 H ASP 54 H ASP 54 19.944 0.333 3.843 1144 HA ASP 54 HA ASP 54 18.510 -1.990 4.553 1145 1HB ASP 54 1HB ASP 54 20.925 -1.722 4.930 1146 2HB ASP 54 2HB ASP 54 20.621 -0.474 6.148 1147 H LYS 55 H LYS 55 18.792 1.164 6.382 1148 HA LYS 55 HA LYS 55 17.162 0.299 8.479 1149 1HB LYS 55 1HB LYS 55 18.609 2.307 8.484 1150 2HB LYS 55 2HB LYS 55 17.418 3.159 7.481 1151 1HG LYS 55 1HG LYS 55 15.715 2.882 9.264 1152 2HG LYS 55 2HG LYS 55 16.865 1.918 10.216 1153 1HD LYS 55 1HD LYS 55 18.362 3.874 10.427 1154 2HD LYS 55 2HD LYS 55 17.298 4.822 9.376 1155 1HE LYS 55 1HE LYS 55 16.906 5.407 11.722 1156 2HE LYS 55 2HE LYS 55 15.462 4.652 11.029 1157 1HZ LYS 55 1HZ LYS 55 17.461 3.296 12.707 1158 2HZ LYS 55 2HZ LYS 55 15.978 3.816 13.205 1159 3HZ LYS 55 3HZ LYS 55 16.095 2.611 12.089 1160 H VAL 56 H VAL 56 16.125 2.102 5.521 1161 HA VAL 56 HA VAL 56 13.466 2.453 6.447 1162 HB VAL 56 HB VAL 56 12.851 3.165 4.244 1163 1HG1 VAL 56 1HG1 VAL 56 14.055 4.763 5.638 1164 2HG1 VAL 56 2HG1 VAL 56 15.611 4.213 5.001 1165 3HG1 VAL 56 3HG1 VAL 56 14.456 5.005 3.929 1166 1HG2 VAL 56 1HG2 VAL 56 14.450 3.161 2.353 1167 2HG2 VAL 56 2HG2 VAL 56 15.530 2.125 3.300 1168 3HG2 VAL 56 3HG2 VAL 56 13.934 1.533 2.809 1169 H MET 57 H MET 57 14.913 -0.272 4.676 1170 HA MET 57 HA MET 57 12.255 -1.543 4.434 1171 1HB MET 57 1HB MET 57 13.284 -3.304 3.287 1172 2HB MET 57 2HB MET 57 13.823 -1.749 2.662 1173 1HG MET 57 1HG MET 57 15.847 -2.744 2.654 1174 2HG MET 57 2HG MET 57 15.878 -2.183 4.307 1175 1HE MET 57 1HE MET 57 15.312 -6.520 2.884 1176 2HE MET 57 2HE MET 57 14.059 -5.299 2.581 1177 3HE MET 57 3HE MET 57 15.654 -5.119 1.851 1178 H GLU 58 H GLU 58 15.215 -1.960 6.399 1179 HA GLU 58 HA GLU 58 14.537 -4.232 7.842 1180 1HB GLU 58 1HB GLU 58 16.731 -3.218 7.956 1181 2HB GLU 58 2HB GLU 58 16.067 -1.748 8.702 1182 1HG GLU 58 1HG GLU 58 15.480 -2.995 10.732 1183 2HG GLU 58 2HG GLU 58 15.996 -4.504 9.965 1184 H THR 59 H THR 59 13.722 -0.816 8.624 1185 HA THR 59 HA THR 59 12.383 -1.372 11.035 1186 HB THR 59 HB THR 59 13.035 0.883 10.262 1187 HG1 THR 59 HG1 THR 59 10.426 0.343 11.174 1188 1HG2 THR 59 1HG2 THR 59 10.474 0.899 8.624 1189 2HG2 THR 59 2HG2 THR 59 11.634 2.215 8.843 1190 3HG2 THR 59 3HG2 THR 59 12.106 0.763 7.950 1191 H LEU 60 H LEU 60 11.333 -2.203 7.828 1192 HA LEU 60 HA LEU 60 8.511 -2.605 8.711 1193 1HB LEU 60 1HB LEU 60 9.634 -2.766 5.909 1194 2HB LEU 60 2HB LEU 60 7.940 -2.655 6.405 1195 HG LEU 60 HG LEU 60 10.045 -0.463 6.609 1196 1HD1 LEU 60 1HD1 LEU 60 8.668 0.666 4.917 1197 2HD1 LEU 60 2HD1 LEU 60 9.249 -0.903 4.331 1198 3HD1 LEU 60 3HD1 LEU 60 7.563 -0.725 4.867 1199 1HD2 LEU 60 1HD2 LEU 60 8.478 -0.268 8.500 1200 2HD2 LEU 60 2HD2 LEU 60 8.199 1.011 7.308 1201 3HD2 LEU 60 3HD2 LEU 60 7.098 -0.387 7.383 1202 H ASP 61 H ASP 61 11.330 -4.307 8.831 1203 HA ASP 61 HA ASP 61 10.667 -6.633 7.265 1204 1HB ASP 61 1HB ASP 61 12.966 -5.982 7.690 1205 2HB ASP 61 2HB ASP 61 12.741 -6.193 9.432 1206 H SER 62 H SER 62 8.427 -6.746 8.221 1207 HA SER 62 HA SER 62 7.765 -7.770 10.742 1208 1HB SER 62 1HB SER 62 5.804 -8.752 9.557 1209 2HB SER 62 2HB SER 62 6.125 -7.077 9.055 1210 HG SER 62 HG SER 62 5.817 -8.305 7.221 1211 H ASP 63 H ASP 63 9.136 -9.399 7.936 1212 HA ASP 63 HA ASP 63 8.781 -12.089 8.826 1213 1HB ASP 63 1HB ASP 63 10.937 -10.999 6.954 1214 2HB ASP 63 2HB ASP 63 10.325 -12.652 7.031 1215 H GLY 64 H GLY 64 10.995 -9.635 9.915 1216 1HA GLY 64 1HA GLY 64 12.952 -9.633 11.069 1217 2HA GLY 64 2HA GLY 64 12.357 -11.116 11.834 1218 H ASP 65 H ASP 65 13.092 -10.751 8.357 1219 HA ASP 65 HA ASP 65 15.145 -12.915 8.631 1220 1HB ASP 65 1HB ASP 65 12.878 -13.584 7.739 1221 2HB ASP 65 2HB ASP 65 13.134 -12.466 6.386 1222 H GLY 66 H GLY 66 15.064 -9.730 8.227 1223 1HA GLY 66 1HA GLY 66 16.445 -8.238 7.240 1224 2HA GLY 66 2HA GLY 66 17.353 -9.535 6.443 1225 H GLU 67 H GLU 67 15.873 -10.755 4.798 1226 HA GLU 67 HA GLU 67 15.140 -8.897 2.750 1227 1HB GLU 67 1HB GLU 67 14.356 -10.805 1.467 1228 2HB GLU 67 2HB GLU 67 15.990 -11.005 2.108 1229 1HG GLU 67 1HG GLU 67 15.223 -12.553 3.817 1230 2HG GLU 67 2HG GLU 67 13.531 -12.292 3.368 1231 H CYS 68 H CYS 68 13.165 -8.020 2.231 1232 HA CYS 68 HA CYS 68 11.076 -8.250 4.373 1233 1HB CYS 68 1HB CYS 68 11.842 -6.039 2.433 1234 2HB CYS 68 2HB CYS 68 10.349 -6.018 3.401 1235 HG CYS 68 HG CYS 68 13.393 -6.466 4.605 1236 H ASP 69 H ASP 69 8.929 -8.681 3.873 1237 HA ASP 69 HA ASP 69 8.570 -10.189 1.439 1238 1HB ASP 69 1HB ASP 69 7.696 -10.981 3.570 1239 2HB ASP 69 2HB ASP 69 6.659 -9.546 3.722 1240 H PHE 70 H PHE 70 6.867 -9.958 -0.049 1241 HA PHE 70 HA PHE 70 6.370 -7.551 -1.263 1242 1HB PHE 70 1HB PHE 70 5.804 -9.734 -2.137 1243 2HB PHE 70 2HB PHE 70 4.469 -9.908 -1.021 1244 HD1 PHE 70 HD1 PHE 70 5.786 -8.100 -3.920 1245 HD2 PHE 70 HD2 PHE 70 2.375 -8.490 -1.370 1246 HE1 PHE 70 HE1 PHE 70 4.422 -6.896 -5.607 1247 HE2 PHE 70 HE2 PHE 70 0.990 -7.313 -3.034 1248 HZ PHE 70 HZ PHE 70 2.015 -6.512 -5.178 1249 H GLN 71 H GLN 71 4.447 -8.913 1.473 1250 HA GLN 71 HA GLN 71 2.457 -6.974 1.601 1251 1HB GLN 71 1HB GLN 71 2.572 -9.049 2.986 1252 2HB GLN 71 2HB GLN 71 3.914 -8.368 3.897 1253 1HG GLN 71 1HG GLN 71 1.806 -8.229 5.130 1254 2HG GLN 71 2HG GLN 71 2.488 -6.633 4.844 1255 1HE2 GLN 71 1HE2 GLN 71 1.515 -5.294 3.092 1256 2HE2 GLN 71 2HE2 GLN 71 -0.187 -5.570 2.689 1257 H GLU 72 H GLU 72 5.821 -6.803 2.763 1258 HA GLU 72 HA GLU 72 5.375 -4.329 4.280 1259 1HB GLU 72 1HB GLU 72 7.974 -5.790 3.629 1260 2HB GLU 72 2HB GLU 72 7.718 -4.551 4.866 1261 1HG GLU 72 1HG GLU 72 6.563 -7.379 4.825 1262 2HG GLU 72 2HG GLU 72 7.737 -6.727 5.944 1263 H PHE 73 H PHE 73 6.876 -5.389 1.259 1264 HA PHE 73 HA PHE 73 7.762 -2.843 0.299 1265 1HB PHE 73 1HB PHE 73 8.448 -4.580 -0.995 1266 2HB PHE 73 2HB PHE 73 6.944 -5.457 -0.867 1267 HD1 PHE 73 HD1 PHE 73 8.738 -2.765 -2.704 1268 HD2 PHE 73 HD2 PHE 73 5.132 -5.134 -2.500 1269 HE1 PHE 73 HE1 PHE 73 8.267 -2.272 -5.090 1270 HE2 PHE 73 HE2 PHE 73 4.626 -4.545 -4.850 1271 HZ PHE 73 HZ PHE 73 6.264 -3.251 -6.197 1272 H MET 74 H MET 74 4.535 -4.435 0.037 1273 HA MET 74 HA MET 74 3.207 -2.209 -1.098 1274 1HB MET 74 1HB MET 74 2.329 -4.654 0.418 1275 2HB MET 74 2HB MET 74 1.157 -3.378 0.107 1276 1HG MET 74 1HG MET 74 2.789 -4.068 -2.286 1277 2HG MET 74 2HG MET 74 1.839 -5.396 -1.636 1278 1HE MET 74 1HE MET 74 1.472 -1.566 -2.832 1279 2HE MET 74 2HE MET 74 -0.312 -1.497 -2.882 1280 3HE MET 74 3HE MET 74 0.522 -1.650 -1.324 1281 H ALA 75 H ALA 75 3.716 -2.995 2.341 1282 HA ALA 75 HA ALA 75 2.294 -0.761 3.368 1283 1HB ALA 75 1HB ALA 75 4.828 -1.943 4.571 1284 2HB ALA 75 2HB ALA 75 3.580 -0.999 5.392 1285 3HB ALA 75 3HB ALA 75 3.193 -2.612 4.765 1286 H PHE 76 H PHE 76 5.658 -0.970 2.178 1287 HA PHE 76 HA PHE 76 6.428 1.720 2.841 1288 1HB PHE 76 1HB PHE 76 8.126 0.133 2.372 1289 2HB PHE 76 2HB PHE 76 7.468 -0.235 0.789 1290 HD1 PHE 76 HD1 PHE 76 9.095 2.491 2.789 1291 HD2 PHE 76 HD2 PHE 76 8.088 0.977 -1.136 1292 HE1 PHE 76 HE1 PHE 76 10.511 4.240 1.725 1293 HE2 PHE 76 HE2 PHE 76 9.488 2.727 -2.177 1294 HZ PHE 76 HZ PHE 76 10.685 4.365 -0.773 1295 H VAL 77 H VAL 77 5.247 0.213 -0.193 1296 HA VAL 77 HA VAL 77 4.937 2.565 -1.717 1297 HB VAL 77 HB VAL 77 3.491 -0.085 -1.733 1298 1HG1 VAL 77 1HG1 VAL 77 3.365 2.195 -3.769 1299 2HG1 VAL 77 2HG1 VAL 77 2.794 0.545 -4.082 1300 3HG1 VAL 77 3HG1 VAL 77 2.000 1.527 -2.850 1301 1HG2 VAL 77 1HG2 VAL 77 5.617 1.081 -3.592 1302 2HG2 VAL 77 2HG2 VAL 77 5.949 -0.091 -2.310 1303 3HG2 VAL 77 3HG2 VAL 77 4.925 -0.551 -3.674 1304 H ALA 78 H ALA 78 2.735 1.137 0.753 1305 HA ALA 78 HA ALA 78 0.574 2.881 0.270 1306 1HB ALA 78 1HB ALA 78 -0.275 2.256 2.423 1307 2HB ALA 78 2HB ALA 78 0.398 0.827 1.620 1308 3HB ALA 78 3HB ALA 78 1.292 1.622 2.934 1309 H MET 79 H MET 79 3.253 3.235 2.695 1310 HA MET 79 HA MET 79 2.360 5.822 3.546 1311 1HB MET 79 1HB MET 79 4.646 6.208 4.387 1312 2HB MET 79 2HB MET 79 3.905 4.704 4.953 1313 1HG MET 79 1HG MET 79 5.246 3.408 3.458 1314 2HG MET 79 2HG MET 79 5.884 4.870 2.660 1315 1HE MET 79 1HE MET 79 7.298 3.417 6.765 1316 2HE MET 79 2HE MET 79 5.635 4.012 6.538 1317 3HE MET 79 3HE MET 79 6.164 2.504 5.737 1318 H ILE 80 H ILE 80 4.566 4.867 0.903 1319 HA ILE 80 HA ILE 80 5.345 7.489 0.126 1320 HB ILE 80 HB ILE 80 5.067 4.895 -1.421 1321 1HG1 ILE 80 1HG1 ILE 80 6.746 5.086 0.539 1322 2HG1 ILE 80 2HG1 ILE 80 7.319 4.498 -1.021 1323 1HG2 ILE 80 1HG2 ILE 80 4.992 6.632 -3.082 1324 2HG2 ILE 80 2HG2 ILE 80 6.314 7.513 -2.283 1325 3HG2 ILE 80 3HG2 ILE 80 6.614 5.953 -3.086 1326 1HD1 ILE 80 1HD1 ILE 80 7.649 7.369 -0.057 1327 2HD1 ILE 80 2HD1 ILE 80 8.849 6.081 0.142 1328 3HD1 ILE 80 3HD1 ILE 80 8.396 6.610 -1.487 1329 H THR 81 H THR 81 2.770 5.422 -1.300 1330 HA THR 81 HA THR 81 1.732 7.354 -3.070 1331 HB THR 81 HB THR 81 -0.453 6.089 -2.819 1332 HG1 THR 81 HG1 THR 81 1.111 4.442 -1.126 1333 1HG2 THR 81 1HG2 THR 81 0.925 5.367 -4.571 1334 2HG2 THR 81 2HG2 THR 81 2.078 4.560 -3.476 1335 3HG2 THR 81 3HG2 THR 81 0.441 3.906 -3.720 1336 H THR 82 H THR 82 0.830 6.669 0.369 1337 HA THR 82 HA THR 82 -1.182 8.628 0.526 1338 HB THR 82 HB THR 82 0.645 7.663 2.759 1339 HG1 THR 82 HG1 THR 82 -0.413 5.957 1.812 1340 1HG2 THR 82 1HG2 THR 82 -2.136 8.931 2.807 1341 2HG2 THR 82 2HG2 THR 82 -1.304 8.209 4.199 1342 3HG2 THR 82 3HG2 THR 82 -0.645 9.666 3.438 1343 H ALA 83 H ALA 83 2.363 9.037 1.224 1344 HA ALA 83 HA ALA 83 2.217 11.807 1.835 1345 1HB ALA 83 1HB ALA 83 4.434 10.255 0.430 1346 2HB ALA 83 2HB ALA 83 4.590 11.870 1.138 1347 3HB ALA 83 3HB ALA 83 4.238 10.474 2.181 1348 H CYS 84 H CYS 84 2.610 10.155 -1.342 1349 HA CYS 84 HA CYS 84 2.678 12.579 -2.861 1350 1HB CYS 84 1HB CYS 84 3.431 10.382 -3.688 1351 2HB CYS 84 2HB CYS 84 1.723 9.874 -3.842 1352 HG CYS 84 HG CYS 84 1.039 12.000 -5.309 1353 H HIS 85 H HIS 85 -0.052 10.665 -1.629 1354 HA HIS 85 HA HIS 85 -2.084 11.983 -3.155 1355 1HB HIS 85 1HB HIS 85 -2.305 9.764 -1.964 1356 2HB HIS 85 2HB HIS 85 -2.408 10.649 -0.439 1357 HD1 HIS 85 HD1 HIS 85 -4.526 12.708 -0.615 1358 HD2 HIS 85 HD2 HIS 85 -4.546 9.385 -3.217 1359 HE1 HIS 85 HE1 HIS 85 -6.817 12.614 -1.668 1360 H GLU 86 H GLU 86 -0.704 12.485 0.115 1361 HA GLU 86 HA GLU 86 -2.296 14.671 0.926 1362 1HB GLU 86 1HB GLU 86 0.539 13.888 1.598 1363 2HB GLU 86 2HB GLU 86 -0.291 15.254 2.359 1364 1HG GLU 86 1HG GLU 86 -2.056 13.825 3.210 1365 2HG GLU 86 2HG GLU 86 -1.438 12.423 2.334 1366 H PHE 87 H PHE 87 0.569 14.574 -1.178 1367 HA PHE 87 HA PHE 87 0.554 17.447 -1.651 1368 1HB PHE 87 1HB PHE 87 2.558 16.695 -2.334 1369 2HB PHE 87 2HB PHE 87 1.974 15.087 -2.719 1370 HD1 PHE 87 HD1 PHE 87 1.447 18.583 -4.107 1371 HD2 PHE 87 HD2 PHE 87 2.247 14.424 -4.925 1372 HE1 PHE 87 HE1 PHE 87 1.443 19.055 -6.532 1373 HE2 PHE 87 HE2 PHE 87 2.146 14.889 -7.353 1374 HZ PHE 87 HZ PHE 87 1.714 17.202 -8.164 1375 H PHE 88 H PHE 88 -0.488 14.736 -3.716 1376 HA PHE 88 HA PHE 88 -1.427 16.287 -5.764 1377 1HB PHE 88 1HB PHE 88 -0.908 13.910 -5.815 1378 2HB PHE 88 2HB PHE 88 -2.396 13.544 -4.915 1379 HD1 PHE 88 HD1 PHE 88 -4.289 12.889 -6.177 1380 HD2 PHE 88 HD2 PHE 88 -1.259 15.339 -8.039 1381 HE1 PHE 88 HE1 PHE 88 -5.464 12.711 -8.347 1382 HE2 PHE 88 HE2 PHE 88 -2.462 15.175 -10.199 1383 HZ PHE 88 HZ PHE 88 -4.559 13.838 -10.364 1384 H GLU 89 H GLU 89 -3.351 15.295 -2.897 1385 HA GLU 89 HA GLU 89 -5.864 16.131 -3.893 1386 1HB GLU 89 1HB GLU 89 -6.574 16.045 -1.609 1387 2HB GLU 89 2HB GLU 89 -5.458 14.722 -1.936 1388 1HG GLU 89 1HG GLU 89 -3.628 16.283 -0.936 1389 2HG GLU 89 2HG GLU 89 -4.958 17.285 -0.354 1390 H HIS 90 H HIS 90 -3.145 18.005 -2.588 1391 HA HIS 90 HA HIS 90 -4.618 20.522 -3.207 1392 1HB HIS 90 1HB HIS 90 -4.561 20.193 -0.752 1393 2HB HIS 90 2HB HIS 90 -2.798 20.105 -0.813 1394 HD1 HIS 90 HD1 HIS 90 -1.707 22.456 -2.048 1395 HD2 HIS 90 HD2 HIS 90 -5.613 22.568 -0.522 1396 HE1 HIS 90 HE1 HIS 90 -2.319 24.947 -1.775 1397 H GLU 91 H GLU 91 -3.463 19.816 -5.286 1398 HA GLU 91 HA GLU 91 -0.733 19.636 -5.552 1399 1HB GLU 91 1HB GLU 91 -2.611 21.020 -7.524 1400 2HB GLU 91 2HB GLU 91 -0.986 20.406 -7.868 1401 1HG GLU 91 1HG GLU 91 -1.817 18.109 -7.095 1402 2HG GLU 91 2HG GLU 91 -3.456 18.783 -7.158 1403 1H LYS 62 H1 LYS 62 -32.021 -15.759 7.579 1404 2H LYS 62 H2 LYS 62 -32.938 -17.113 7.363 1405 3H LYS 62 H3 LYS 62 -31.713 -17.111 8.467 1406 HA LYS 62 HA LYS 62 -33.831 -16.992 9.530 1407 1HB LYS 62 1HB LYS 62 -32.242 -14.396 9.739 1408 2HB LYS 62 2HB LYS 62 -33.460 -14.980 10.888 1409 1HG LYS 62 1HG LYS 62 -32.059 -17.000 11.332 1410 2HG LYS 62 2HG LYS 62 -30.861 -16.425 10.175 1411 1HD LYS 62 1HD LYS 62 -30.100 -15.916 12.401 1412 2HD LYS 62 2HD LYS 62 -30.398 -14.433 11.496 1413 1HE LYS 62 1HE LYS 62 -31.159 -14.280 13.847 1414 2HE LYS 62 2HE LYS 62 -32.494 -14.042 12.719 1415 1HZ LYS 62 1HZ LYS 62 -33.065 -15.494 14.528 1416 2HZ LYS 62 2HZ LYS 62 -33.138 -16.312 13.101 1417 3HZ LYS 62 3HZ LYS 62 -31.866 -16.550 14.123 1418 H ARG 63 H ARG 63 -33.206 -13.984 7.671 1419 HA ARG 63 HA ARG 63 -35.859 -12.986 7.705 1420 1HB ARG 63 1HB ARG 63 -33.636 -12.642 5.646 1421 2HB ARG 63 2HB ARG 63 -35.146 -11.715 5.678 1422 1HG ARG 63 1HG ARG 63 -34.602 -10.890 7.962 1423 2HG ARG 63 2HG ARG 63 -33.065 -11.767 7.916 1424 1HD ARG 63 1HD ARG 63 -32.354 -10.476 5.941 1425 2HD ARG 63 2HD ARG 63 -33.867 -9.573 5.939 1426 HE ARG 63 HE ARG 63 -31.547 -9.232 7.671 1427 1HH1 ARG 63 2HH2 ARG 63 -35.028 -8.664 7.458 1428 2HH1 ARG 63 1HH2 ARG 63 -35.021 -7.322 8.573 1429 1HH2 ARG 63 2HH1 ARG 63 -31.525 -7.501 9.139 1430 2HH2 ARG 63 1HH1 ARG 63 -32.995 -6.667 9.560 1431 H LEU 64 H LEU 64 -37.635 -13.859 6.862 1432 HA LEU 64 HA LEU 64 -39.044 -15.242 5.762 1433 1HB LEU 64 1HB LEU 64 -37.187 -14.894 3.376 1434 2HB LEU 64 2HB LEU 64 -38.894 -15.342 3.346 1435 HG LEU 64 HG LEU 64 -37.769 -12.640 4.226 1436 1HD1 LEU 64 1HD1 LEU 64 -37.611 -13.063 1.802 1437 2HD1 LEU 64 2HD1 LEU 64 -39.342 -13.461 1.752 1438 3HD1 LEU 64 3HD1 LEU 64 -38.815 -11.815 2.165 1439 1HD2 LEU 64 1HD2 LEU 64 -40.161 -11.919 4.207 1440 2HD2 LEU 64 2HD2 LEU 64 -40.656 -13.608 3.976 1441 3HD2 LEU 64 3HD2 LEU 64 -39.837 -13.106 5.474 1442 H ARG 65 H ARG 65 -36.949 -16.459 7.308 1443 HA ARG 65 HA ARG 65 -36.233 -18.497 7.841 1444 1HB ARG 65 1HB ARG 65 -38.423 -19.231 6.646 1445 2HB ARG 65 2HB ARG 65 -37.392 -19.804 5.345 1446 1HG ARG 65 1HG ARG 65 -37.203 -20.672 8.271 1447 2HG ARG 65 2HG ARG 65 -38.140 -21.488 7.024 1448 1HD ARG 65 1HD ARG 65 -36.133 -22.740 7.220 1449 2HD ARG 65 2HD ARG 65 -36.059 -21.863 5.695 1450 HE ARG 65 HE ARG 65 -34.285 -20.605 6.474 1451 1HH1 ARG 65 2HH2 ARG 65 -35.488 -22.489 9.210 1452 2HH1 ARG 65 1HH2 ARG 65 -34.485 -21.669 10.374 1453 1HH2 ARG 65 2HH1 ARG 65 -33.298 -19.334 7.983 1454 2HH2 ARG 65 1HH1 ARG 65 -33.081 -19.895 9.634 1455 H ARG 66 H ARG 66 -36.083 -18.494 4.282 1456 HA ARG 66 HA ARG 66 -34.341 -19.119 2.896 1457 1HB ARG 66 1HB ARG 66 -34.644 -16.606 3.092 1458 2HB ARG 66 2HB ARG 66 -33.204 -16.589 4.123 1459 1HG ARG 66 1HG ARG 66 -32.018 -17.833 2.201 1460 2HG ARG 66 2HG ARG 66 -33.452 -17.524 1.220 1461 1HD ARG 66 1HD ARG 66 -33.178 -15.107 1.477 1462 2HD ARG 66 2HD ARG 66 -31.803 -15.322 2.562 1463 HE ARG 66 HE ARG 66 -31.802 -15.408 -0.321 1464 1HH1 ARG 66 1HH2 ARG 66 -30.236 -16.794 2.514 1465 2HH1 ARG 66 2HH2 ARG 66 -28.793 -17.310 1.681 1466 1HH2 ARG 66 2HH1 ARG 66 -29.880 -15.986 -1.443 1467 2HH2 ARG 66 1HH1 ARG 66 -28.570 -16.767 -0.600 1468 H SER 67 H SER 67 -33.727 -21.082 4.167 1469 HA SER 67 HA SER 67 -32.017 -21.276 6.219 1470 1HB SER 67 1HB SER 67 -31.979 -23.185 3.855 1471 2HB SER 67 2HB SER 67 -31.768 -23.564 5.577 1472 HG SER 67 HG SER 67 -33.945 -22.870 5.890 1473 H ALA 68 H ALA 68 -30.952 -20.961 2.800 1474 HA ALA 68 HA ALA 68 -28.151 -21.369 3.483 1475 1HB ALA 68 1HB ALA 68 -29.439 -20.400 0.904 1476 2HB ALA 68 2HB ALA 68 -27.770 -20.979 1.102 1477 3HB ALA 68 3HB ALA 68 -29.126 -22.097 1.336 1478 H HIS 69 H HIS 69 -29.006 -19.289 5.114 1479 HA HIS 69 HA HIS 69 -28.154 -16.711 3.905 1480 1HB HIS 69 1HB HIS 69 -28.618 -15.789 6.154 1481 2HB HIS 69 2HB HIS 69 -30.001 -16.528 5.350 1482 HD1 HIS 69 HD1 HIS 69 -30.888 -18.865 6.342 1483 HD2 HIS 69 HD2 HIS 69 -27.902 -16.862 8.528 1484 HE1 HIS 69 HE1 HIS 69 -30.763 -20.002 8.647 1485 H ALA 70 H ALA 70 -26.195 -18.214 3.392 1486 HA ALA 70 HA ALA 70 -24.214 -18.497 5.522 1487 1HB ALA 70 1HB ALA 70 -23.974 -18.797 2.498 1488 2HB ALA 70 2HB ALA 70 -22.771 -19.314 3.699 1489 3HB ALA 70 3HB ALA 70 -24.360 -20.101 3.645 1490 H ARG 71 H ARG 71 -21.992 -17.562 5.174 1491 HA ARG 71 HA ARG 71 -22.202 -14.665 5.032 1492 1HB ARG 71 1HB ARG 71 -19.750 -16.415 5.406 1493 2HB ARG 71 2HB ARG 71 -19.886 -14.699 5.796 1494 1HG ARG 71 1HG ARG 71 -21.465 -16.925 7.188 1495 2HG ARG 71 2HG ARG 71 -19.927 -16.290 7.734 1496 1HD ARG 71 1HD ARG 71 -21.715 -15.270 9.029 1497 2HD ARG 71 2HD ARG 71 -20.840 -14.069 8.082 1498 HE ARG 71 HE ARG 71 -22.746 -13.514 7.015 1499 1HH1 ARG 71 2HH2 ARG 71 -23.308 -16.781 8.352 1500 2HH1 ARG 71 1HH2 ARG 71 -24.888 -16.897 7.573 1501 1HH2 ARG 71 2HH1 ARG 71 -24.872 -13.726 6.166 1502 2HH2 ARG 71 1HH1 ARG 71 -25.732 -15.240 6.419 1503 H LYS 72 H LYS 72 -22.986 -14.956 2.761 1504 HA LYS 72 HA LYS 72 -21.554 -15.567 0.525 1505 1HB LYS 72 1HB LYS 72 -22.931 -13.876 -0.645 1506 2HB LYS 72 2HB LYS 72 -23.836 -14.943 0.431 1507 1HG LYS 72 1HG LYS 72 -23.881 -13.185 2.186 1508 2HG LYS 72 2HG LYS 72 -23.045 -12.063 1.111 1509 1HD LYS 72 1HD LYS 72 -25.607 -13.402 0.173 1510 2HD LYS 72 2HD LYS 72 -25.703 -12.139 1.397 1511 1HE LYS 72 1HE LYS 72 -26.042 -11.204 -0.823 1512 2HE LYS 72 2HE LYS 72 -24.609 -10.512 -0.046 1513 1HZ LYS 72 1HZ LYS 72 -24.264 -11.036 -2.331 1514 2HZ LYS 72 2HZ LYS 72 -23.263 -11.941 -1.383 1515 3HZ LYS 72 3HZ LYS 72 -24.591 -12.634 -2.077 1516 H GLU 73 H GLU 73 -20.945 -12.781 2.536 1517 HA GLU 73 HA GLU 73 -19.320 -11.120 1.075 1518 1HB GLU 73 1HB GLU 73 -18.553 -12.160 3.841 1519 2HB GLU 73 2HB GLU 73 -18.131 -10.621 3.090 1520 1HG GLU 73 1HG GLU 73 -19.806 -9.955 4.520 1521 2HG GLU 73 2HG GLU 73 -20.740 -10.215 3.042 1522 H THR 74 H THR 74 -18.517 -14.396 2.231 1523 HA THR 74 HA THR 74 -15.795 -14.599 1.806 1524 HB THR 74 HB THR 74 -16.350 -16.980 1.138 1525 HG1 THR 74 HG1 THR 74 -18.985 -16.308 1.881 1526 1HG2 THR 74 1HG2 THR 74 -17.512 -15.872 3.731 1527 2HG2 THR 74 2HG2 THR 74 -17.183 -17.585 3.396 1528 3HG2 THR 74 3HG2 THR 74 -15.852 -16.417 3.449 1529 H GLU 75 H GLU 75 -18.358 -14.504 -0.712 1530 HA GLU 75 HA GLU 75 -16.850 -15.344 -2.909 1531 1HB GLU 75 1HB GLU 75 -19.273 -14.827 -2.955 1532 2HB GLU 75 2HB GLU 75 -18.926 -13.101 -2.759 1533 1HG GLU 75 1HG GLU 75 -19.433 -13.695 -5.108 1534 2HG GLU 75 2HG GLU 75 -17.806 -13.036 -4.946 1535 H PHE 76 H PHE 76 -16.936 -12.149 -1.339 1536 HA PHE 76 HA PHE 76 -15.070 -10.988 -3.297 1537 1HB PHE 76 1HB PHE 76 -16.124 -9.732 -0.748 1538 2HB PHE 76 2HB PHE 76 -15.516 -8.921 -2.182 1539 HD1 PHE 76 HD1 PHE 76 -16.916 -9.884 -4.462 1540 HD2 PHE 76 HD2 PHE 76 -18.410 -9.488 -0.435 1541 HE1 PHE 76 HE1 PHE 76 -19.231 -9.991 -5.305 1542 HE2 PHE 76 HE2 PHE 76 -20.737 -9.538 -1.302 1543 HZ PHE 76 HZ PHE 76 -21.148 -9.766 -3.739 1544 H LEU 77 H LEU 77 -15.220 -11.857 0.158 1545 HA LEU 77 HA LEU 77 -12.490 -11.054 0.727 1546 1HB LEU 77 1HB LEU 77 -14.383 -12.851 2.271 1547 2HB LEU 77 2HB LEU 77 -12.901 -12.130 2.906 1548 HG LEU 77 HG LEU 77 -15.324 -10.536 1.920 1549 1HD1 LEU 77 1HD1 LEU 77 -14.423 -11.154 4.755 1550 2HD1 LEU 77 2HD1 LEU 77 -15.783 -10.114 4.274 1551 3HD1 LEU 77 3HD1 LEU 77 -15.839 -11.851 3.934 1552 1HD2 LEU 77 1HD2 LEU 77 -13.279 -9.202 1.729 1553 2HD2 LEU 77 2HD2 LEU 77 -14.220 -8.651 3.116 1554 3HD2 LEU 77 3HD2 LEU 77 -12.787 -9.665 3.376 1555 H ARG 78 H ARG 78 -13.691 -13.680 -0.978 1556 HA ARG 78 HA ARG 78 -12.465 -15.925 -0.542 1557 1HB ARG 78 1HB ARG 78 -13.822 -15.277 -2.526 1558 2HB ARG 78 2HB ARG 78 -12.440 -14.409 -3.188 1559 1HG ARG 78 1HG ARG 78 -11.243 -16.661 -3.330 1560 2HG ARG 78 2HG ARG 78 -12.753 -17.400 -2.756 1561 1HD ARG 78 1HD ARG 78 -12.847 -17.539 -5.124 1562 2HD ARG 78 2HD ARG 78 -13.938 -16.218 -4.726 1563 HE ARG 78 HE ARG 78 -11.231 -16.107 -5.958 1564 1HH1 ARG 78 2HH2 ARG 78 -14.054 -14.068 -4.906 1565 2HH1 ARG 78 1HH2 ARG 78 -13.594 -12.831 -6.040 1566 1HH2 ARG 78 1HH1 ARG 78 -10.770 -14.389 -7.345 1567 2HH2 ARG 78 2HH1 ARG 78 -11.780 -12.956 -7.328 1568 H LEU 79 H LEU 79 -10.739 -13.219 -2.171 1569 HA LEU 79 HA LEU 79 -8.297 -14.627 -2.573 1570 1HB LEU 79 1HB LEU 79 -8.716 -11.609 -2.278 1571 2HB LEU 79 2HB LEU 79 -7.285 -12.435 -2.886 1572 HG LEU 79 HG LEU 79 -8.931 -13.477 -4.675 1573 1HD1 LEU 79 1HD1 LEU 79 -10.631 -11.711 -5.363 1574 2HD1 LEU 79 2HD1 LEU 79 -11.094 -12.621 -3.939 1575 3HD1 LEU 79 3HD1 LEU 79 -10.441 -10.980 -3.762 1576 1HD2 LEU 79 1HD2 LEU 79 -8.026 -10.568 -4.731 1577 2HD2 LEU 79 2HD2 LEU 79 -7.022 -11.976 -5.138 1578 3HD2 LEU 79 3HD2 LEU 79 -8.414 -11.568 -6.149 1579 H LYS 80 H LYS 80 -9.234 -12.254 -0.077 1580 HA LYS 80 HA LYS 80 -6.896 -12.257 1.475 1581 1HB LYS 80 1HB LYS 80 -8.751 -10.633 1.621 1582 2HB LYS 80 2HB LYS 80 -9.756 -11.856 2.419 1583 1HG LYS 80 1HG LYS 80 -8.083 -12.004 4.268 1584 2HG LYS 80 2HG LYS 80 -7.076 -10.803 3.430 1585 1HD LYS 80 1HD LYS 80 -8.939 -9.160 3.571 1586 2HD LYS 80 2HD LYS 80 -9.947 -10.371 4.379 1587 1HE LYS 80 1HE LYS 80 -9.027 -8.849 6.042 1588 2HE LYS 80 2HE LYS 80 -8.320 -10.457 6.274 1589 1HZ LYS 80 1HZ LYS 80 -6.374 -9.689 5.116 1590 2HZ LYS 80 2HZ LYS 80 -7.058 -8.209 4.859 1591 3HZ LYS 80 3HZ LYS 80 -6.698 -8.700 6.393 1592 H ARG 81 H ARG 81 -9.913 -14.142 1.890 1593 HA ARG 81 HA ARG 81 -9.182 -15.704 4.101 1594 1HB ARG 81 1HB ARG 81 -11.457 -15.528 3.122 1595 2HB ARG 81 2HB ARG 81 -10.926 -16.467 1.718 1596 1HG ARG 81 1HG ARG 81 -10.377 -18.379 3.279 1597 2HG ARG 81 2HG ARG 81 -11.035 -17.423 4.615 1598 1HD ARG 81 1HD ARG 81 -13.226 -17.319 3.493 1599 2HD ARG 81 2HD ARG 81 -12.606 -18.212 2.102 1600 HE ARG 81 HE ARG 81 -13.469 -19.253 4.660 1601 1HH1 ARG 81 2HH2 ARG 81 -11.248 -19.900 1.983 1602 2HH1 ARG 81 1HH2 ARG 81 -11.240 -21.625 2.222 1603 1HH2 ARG 81 2HH1 ARG 81 -13.461 -21.498 4.986 1604 2HH2 ARG 81 1HH1 ARG 81 -12.513 -22.546 3.968 1605 H THR 82 H THR 82 -8.770 -16.434 0.593 1606 HA THR 82 HA THR 82 -7.652 -19.001 0.989 1607 HB THR 82 HB THR 82 -7.251 -17.085 -1.348 1608 HG1 THR 82 HG1 THR 82 -9.405 -17.545 -1.020 1609 1HG2 THR 82 1HG2 THR 82 -6.895 -20.110 -1.114 1610 2HG2 THR 82 2HG2 THR 82 -6.921 -19.204 -2.637 1611 3HG2 THR 82 3HG2 THR 82 -5.617 -18.925 -1.469 1612 H ARG 83 H ARG 83 -6.043 -15.766 0.752 1613 HA ARG 83 HA ARG 83 -3.488 -16.832 0.456 1614 1HB ARG 83 1HB ARG 83 -2.549 -14.814 0.795 1615 2HB ARG 83 2HB ARG 83 -4.094 -14.538 0.000 1616 1HG ARG 83 1HG ARG 83 -4.757 -13.121 1.612 1617 2HG ARG 83 2HG ARG 83 -4.358 -14.238 2.918 1618 1HD ARG 83 1HD ARG 83 -2.095 -13.525 3.012 1619 2HD ARG 83 2HD ARG 83 -2.200 -12.677 1.453 1620 HE ARG 83 HE ARG 83 -4.057 -11.435 3.132 1621 1HH1 ARG 83 1HH1 ARG 83 -0.542 -11.932 2.909 1622 2HH1 ARG 83 2HH1 ARG 83 -0.162 -10.354 3.557 1623 1HH2 ARG 83 2HH2 ARG 83 -3.481 -9.297 3.922 1624 2HH2 ARG 83 1HH2 ARG 83 -1.790 -8.834 3.978 1625 H LEU 84 H LEU 84 -5.316 -16.799 3.440 1626 HA LEU 84 HA LEU 84 -3.112 -17.004 5.261 1627 1HB LEU 84 1HB LEU 84 -5.966 -18.046 5.321 1628 2HB LEU 84 2HB LEU 84 -4.795 -18.453 6.574 1629 HG LEU 84 HG LEU 84 -4.424 -16.071 7.086 1630 1HD1 LEU 84 1HD1 LEU 84 -6.716 -15.612 5.128 1631 2HD1 LEU 84 2HD1 LEU 84 -6.128 -14.410 6.294 1632 3HD1 LEU 84 3HD1 LEU 84 -5.062 -14.963 5.004 1633 1HD2 LEU 84 1HD2 LEU 84 -7.324 -17.001 7.219 1634 2HD2 LEU 84 2HD2 LEU 84 -6.034 -17.446 8.358 1635 3HD2 LEU 84 3HD2 LEU 84 -6.576 -15.763 8.251 1636 H GLY 85 H GLY 85 -4.584 -19.326 3.001 1637 1HA GLY 85 1HA GLY 85 -3.330 -21.708 4.054 1638 2HA GLY 85 2HA GLY 85 -4.026 -21.468 2.442 1639 H LEU 86 H LEU 86 -2.221 -19.022 2.030 1640 HA LEU 86 HA LEU 86 0.052 -20.552 0.905 1641 1HB LEU 86 1HB LEU 86 -0.950 -17.705 0.563 1642 2HB LEU 86 2HB LEU 86 0.580 -18.271 -0.093 1643 HG LEU 86 HG LEU 86 -1.211 -18.188 -1.735 1644 1HD1 LEU 86 1HD1 LEU 86 -0.328 -21.068 -1.313 1645 2HD1 LEU 86 2HD1 LEU 86 -0.721 -20.249 -2.839 1646 3HD1 LEU 86 3HD1 LEU 86 0.717 -19.774 -1.927 1647 1HD2 LEU 86 1HD2 LEU 86 -3.098 -18.907 -0.204 1648 2HD2 LEU 86 2HD2 LEU 86 -3.076 -19.617 -1.816 1649 3HD2 LEU 86 3HD2 LEU 86 -2.539 -20.577 -0.424 1650 H GLU 87 H GLU 87 -0.514 -17.642 2.974 1651 HA GLU 87 HA GLU 87 1.799 -18.500 4.639 1652 1HB GLU 87 1HB GLU 87 1.404 -15.617 3.731 1653 2HB GLU 87 2HB GLU 87 2.613 -16.227 4.863 1654 1HG GLU 87 1HG GLU 87 3.581 -17.642 3.025 1655 2HG GLU 87 2HG GLU 87 2.446 -16.891 1.891 1656 1H LYS 62 H1 LYS 62 22.897 22.418 16.559 1657 2H LYS 62 H2 LYS 62 22.405 23.255 17.885 1658 3H LYS 62 H3 LYS 62 23.566 23.897 16.900 1659 HA LYS 62 HA LYS 62 21.538 24.993 16.506 1660 1HB LYS 62 1HB LYS 62 22.095 23.041 14.225 1661 2HB LYS 62 2HB LYS 62 21.236 24.568 14.121 1662 1HG LYS 62 1HG LYS 62 23.233 25.283 13.360 1663 2HG LYS 62 2HG LYS 62 23.423 25.643 15.065 1664 1HD LYS 62 1HD LYS 62 25.463 24.692 14.154 1665 2HD LYS 62 2HD LYS 62 24.813 23.577 15.344 1666 1HE LYS 62 1HE LYS 62 25.703 22.446 13.339 1667 2HE LYS 62 2HE LYS 62 23.996 22.081 13.579 1668 1HZ LYS 62 1HZ LYS 62 24.574 22.593 11.293 1669 2HZ LYS 62 2HZ LYS 62 23.472 23.671 11.886 1670 3HZ LYS 62 3HZ LYS 62 25.055 24.106 11.726 1671 H ARG 63 H ARG 63 19.365 24.612 15.199 1672 HA ARG 63 HA ARG 63 17.634 22.863 16.708 1673 1HB ARG 63 1HB ARG 63 17.287 24.454 14.128 1674 2HB ARG 63 2HB ARG 63 16.014 23.489 14.865 1675 1HG ARG 63 1HG ARG 63 15.741 25.820 15.451 1676 2HG ARG 63 2HG ARG 63 16.012 24.829 16.884 1677 1HD ARG 63 1HD ARG 63 17.178 27.037 16.924 1678 2HD ARG 63 2HD ARG 63 18.255 25.654 17.136 1679 HE ARG 63 HE ARG 63 17.971 26.538 14.357 1680 1HH1 ARG 63 2HH2 ARG 63 19.654 27.271 17.373 1681 2HH1 ARG 63 1HH2 ARG 63 21.078 27.903 16.596 1682 1HH2 ARG 63 2HH1 ARG 63 19.832 27.343 13.319 1683 2HH2 ARG 63 1HH1 ARG 63 21.175 27.952 14.245 1684 H LEU 64 H LEU 64 18.808 20.890 16.473 1685 HA LEU 64 HA LEU 64 19.164 18.796 15.656 1686 1HB LEU 64 1HB LEU 64 17.558 19.455 13.153 1687 2HB LEU 64 2HB LEU 64 18.032 17.869 13.754 1688 HG LEU 64 HG LEU 64 16.066 19.749 15.129 1689 1HD1 LEU 64 1HD1 LEU 64 15.212 18.765 13.038 1690 2HD1 LEU 64 2HD1 LEU 64 15.640 17.141 13.618 1691 3HD1 LEU 64 3HD1 LEU 64 14.391 18.089 14.455 1692 1HD2 LEU 64 1HD2 LEU 64 17.223 18.383 16.812 1693 2HD2 LEU 64 2HD2 LEU 64 15.591 17.755 16.564 1694 3HD2 LEU 64 3HD2 LEU 64 16.976 16.919 15.831 1695 H ARG 65 H ARG 65 19.877 18.168 12.898 1696 HA ARG 65 HA ARG 65 21.637 18.269 11.510 1697 1HB ARG 65 1HB ARG 65 22.052 21.182 12.345 1698 2HB ARG 65 2HB ARG 65 22.987 20.281 11.171 1699 1HG ARG 65 1HG ARG 65 21.494 21.513 9.910 1700 2HG ARG 65 2HG ARG 65 20.890 19.854 9.846 1701 1HD ARG 65 1HD ARG 65 19.114 20.430 11.461 1702 2HD ARG 65 2HD ARG 65 19.812 22.048 11.684 1703 HE ARG 65 HE ARG 65 19.285 21.615 8.923 1704 1HH1 ARG 65 2HH2 ARG 65 17.524 22.108 11.976 1705 2HH1 ARG 65 1HH2 ARG 65 16.115 22.766 11.192 1706 1HH2 ARG 65 2HH1 ARG 65 17.438 22.475 7.917 1707 2HH2 ARG 65 1HH1 ARG 65 16.071 23.000 8.861 1708 H ARG 66 H ARG 66 22.451 19.858 14.645 1709 HA ARG 66 HA ARG 66 25.009 18.758 15.021 1710 1HB ARG 66 1HB ARG 66 24.626 19.036 17.381 1711 2HB ARG 66 2HB ARG 66 23.931 20.414 16.518 1712 1HG ARG 66 1HG ARG 66 21.641 19.352 16.763 1713 2HG ARG 66 2HG ARG 66 22.407 18.037 17.677 1714 1HD ARG 66 1HD ARG 66 23.328 19.884 19.225 1715 2HD ARG 66 2HD ARG 66 22.121 20.941 18.498 1716 HE ARG 66 HE ARG 66 21.760 18.585 20.249 1717 1HH1 ARG 66 1HH2 ARG 66 20.055 21.054 18.302 1718 2HH1 ARG 66 2HH2 ARG 66 18.538 20.763 19.108 1719 1HH2 ARG 66 2HH1 ARG 66 19.774 18.224 21.222 1720 2HH2 ARG 66 1HH1 ARG 66 18.360 19.123 20.743 1721 H SER 67 H SER 67 21.815 17.270 15.242 1722 HA SER 67 HA SER 67 22.576 14.667 16.229 1723 1HB SER 67 1HB SER 67 20.243 14.203 15.322 1724 2HB SER 67 2HB SER 67 20.314 15.549 16.478 1725 HG SER 67 HG SER 67 20.337 15.709 13.648 1726 H ALA 68 H ALA 68 24.533 14.778 14.666 1727 HA ALA 68 HA ALA 68 25.665 13.872 12.932 1728 1HB ALA 68 1HB ALA 68 24.354 11.829 13.294 1729 2HB ALA 68 2HB ALA 68 23.104 12.407 12.173 1730 3HB ALA 68 3HB ALA 68 24.738 12.079 11.580 1731 H HIS 69 H HIS 69 26.178 15.693 11.767 1732 HA HIS 69 HA HIS 69 24.191 17.178 10.367 1733 1HB HIS 69 1HB HIS 69 26.461 17.871 11.465 1734 2HB HIS 69 2HB HIS 69 27.147 17.519 9.875 1735 HD1 HIS 69 HD1 HIS 69 25.055 18.827 7.989 1736 HD2 HIS 69 HD2 HIS 69 26.176 20.400 11.724 1737 HE1 HIS 69 HE1 HIS 69 24.448 21.331 7.954 1738 H ALA 70 H ALA 70 25.388 14.262 9.391 1739 HA ALA 70 HA ALA 70 25.887 14.773 6.576 1740 1HB ALA 70 1HB ALA 70 26.009 12.325 6.438 1741 2HB ALA 70 2HB ALA 70 26.977 12.931 7.796 1742 3HB ALA 70 3HB ALA 70 25.392 12.184 8.099 1743 H ARG 71 H ARG 71 23.668 16.069 6.797 1744 HA ARG 71 HA ARG 71 21.212 14.737 6.825 1745 1HB ARG 71 1HB ARG 71 21.996 17.341 5.475 1746 2HB ARG 71 2HB ARG 71 20.329 16.788 5.660 1747 1HG ARG 71 1HG ARG 71 22.240 17.389 7.971 1748 2HG ARG 71 2HG ARG 71 20.927 18.402 7.373 1749 1HD ARG 71 1HD ARG 71 19.855 17.406 9.126 1750 2HD ARG 71 2HD ARG 71 19.398 16.301 7.840 1751 HE ARG 71 HE ARG 71 21.694 15.871 9.765 1752 1HH1 ARG 71 2HH1 ARG 71 19.027 14.294 7.913 1753 2HH1 ARG 71 1HH1 ARG 71 19.054 12.927 8.987 1754 1HH2 ARG 71 2HH2 ARG 71 21.703 14.045 10.990 1755 2HH2 ARG 71 1HH2 ARG 71 20.655 12.691 10.603 1756 H LYS 72 H LYS 72 23.507 14.467 4.338 1757 HA LYS 72 HA LYS 72 22.013 13.943 2.039 1758 1HB LYS 72 1HB LYS 72 24.452 13.846 2.123 1759 2HB LYS 72 2HB LYS 72 24.395 12.497 3.261 1760 1HG LYS 72 1HG LYS 72 24.986 11.696 1.080 1761 2HG LYS 72 2HG LYS 72 23.413 11.034 1.520 1762 1HD LYS 72 1HD LYS 72 22.278 12.674 0.057 1763 2HD LYS 72 2HD LYS 72 23.835 13.451 -0.306 1764 1HE LYS 72 1HE LYS 72 24.647 11.283 -1.282 1765 2HE LYS 72 2HE LYS 72 23.050 10.576 -0.971 1766 1HZ LYS 72 1HZ LYS 72 23.299 11.337 -3.215 1767 2HZ LYS 72 2HZ LYS 72 22.108 12.179 -2.453 1768 3HZ LYS 72 3HZ LYS 72 23.577 12.880 -2.710 1769 H GLU 73 H GLU 73 22.432 12.009 5.037 1770 HA GLU 73 HA GLU 73 21.207 9.633 4.261 1771 1HB GLU 73 1HB GLU 73 20.881 9.203 6.599 1772 2HB GLU 73 2HB GLU 73 22.399 10.087 6.400 1773 1HG GLU 73 1HG GLU 73 21.105 12.221 7.009 1774 2HG GLU 73 2HG GLU 73 19.730 11.178 7.386 1775 H THR 74 H THR 74 19.644 12.705 5.139 1776 HA THR 74 HA THR 74 16.945 11.493 4.992 1777 HB THR 74 HB THR 74 16.460 14.066 5.570 1778 HG1 THR 74 HG1 THR 74 18.821 14.488 5.412 1779 1HG2 THR 74 1HG2 THR 74 17.526 12.001 7.533 1780 2HG2 THR 74 2HG2 THR 74 16.602 13.458 7.964 1781 3HG2 THR 74 3HG2 THR 74 15.848 12.183 6.991 1782 H GLU 75 H GLU 75 19.104 12.652 2.697 1783 HA GLU 75 HA GLU 75 17.761 14.679 1.347 1784 1HB GLU 75 1HB GLU 75 20.038 13.942 0.849 1785 2HB GLU 75 2HB GLU 75 19.435 12.388 0.241 1786 1HG GLU 75 1HG GLU 75 18.202 13.617 -1.546 1787 2HG GLU 75 2HG GLU 75 18.923 15.136 -0.984 1788 H PHE 76 H PHE 76 17.402 11.164 0.851 1789 HA PHE 76 HA PHE 76 15.525 11.438 -1.297 1790 1HB PHE 76 1HB PHE 76 15.307 8.884 0.123 1791 2HB PHE 76 2HB PHE 76 15.782 9.228 -1.529 1792 HD1 PHE 76 HD1 PHE 76 16.934 8.270 1.766 1793 HD2 PHE 76 HD2 PHE 76 18.230 10.128 -1.916 1794 HE1 PHE 76 HE1 PHE 76 19.287 8.140 2.508 1795 HE2 PHE 76 HE2 PHE 76 20.556 10.093 -1.105 1796 HZ PHE 76 HZ PHE 76 21.085 9.073 1.124 1797 H LEU 77 H LEU 77 15.138 10.604 2.142 1798 HA LEU 77 HA LEU 77 12.306 10.427 2.212 1799 1HB LEU 77 1HB LEU 77 14.287 11.250 4.370 1800 2HB LEU 77 2HB LEU 77 12.594 10.843 4.666 1801 HG LEU 77 HG LEU 77 14.637 8.906 3.474 1802 1HD1 LEU 77 1HD1 LEU 77 15.196 9.511 5.796 1803 2HD1 LEU 77 2HD1 LEU 77 13.539 9.114 6.306 1804 3HD1 LEU 77 3HD1 LEU 77 14.615 7.841 5.689 1805 1HD2 LEU 77 1HD2 LEU 77 12.340 8.288 2.828 1806 2HD2 LEU 77 2HD2 LEU 77 12.912 7.192 4.083 1807 3HD2 LEU 77 3HD2 LEU 77 11.786 8.493 4.504 1808 H ARG 78 H ARG 78 14.442 13.285 2.330 1809 HA ARG 78 HA ARG 78 12.535 15.142 3.180 1810 1HB ARG 78 1HB ARG 78 14.871 15.635 3.012 1811 2HB ARG 78 2HB ARG 78 14.847 15.565 1.258 1812 1HG ARG 78 1HG ARG 78 12.953 17.450 2.679 1813 2HG ARG 78 2HG ARG 78 14.668 17.854 2.635 1814 1HD ARG 78 1HD ARG 78 13.013 17.360 0.111 1815 2HD ARG 78 2HD ARG 78 13.330 18.911 0.838 1816 HE ARG 78 HE ARG 78 15.586 18.844 0.309 1817 1HH1 ARG 78 1HH2 ARG 78 14.001 15.884 -0.866 1818 2HH1 ARG 78 2HH2 ARG 78 15.296 15.504 -1.969 1819 1HH2 ARG 78 1HH1 ARG 78 17.246 18.304 -1.168 1820 2HH2 ARG 78 2HH1 ARG 78 17.096 16.873 -2.160 1821 H LEU 79 H LEU 79 12.849 13.603 -0.065 1822 HA LEU 79 HA LEU 79 10.925 15.413 -1.301 1823 1HB LEU 79 1HB LEU 79 11.668 12.553 -2.031 1824 2HB LEU 79 2HB LEU 79 10.632 13.623 -2.976 1825 HG LEU 79 HG LEU 79 13.579 14.076 -2.379 1826 1HD1 LEU 79 1HD1 LEU 79 13.867 13.675 -4.783 1827 2HD1 LEU 79 2HD1 LEU 79 13.087 12.289 -4.002 1828 3HD1 LEU 79 3HD1 LEU 79 12.121 13.413 -4.972 1829 1HD2 LEU 79 1HD2 LEU 79 12.459 16.285 -2.593 1830 2HD2 LEU 79 2HD2 LEU 79 13.371 15.938 -4.060 1831 3HD2 LEU 79 3HD2 LEU 79 11.609 15.724 -4.048 1832 H LYS 80 H LYS 80 10.665 12.246 0.368 1833 HA LYS 80 HA LYS 80 7.867 11.927 0.074 1834 1HB LYS 80 1HB LYS 80 9.455 10.202 0.921 1835 2HB LYS 80 2HB LYS 80 9.512 11.063 2.470 1836 1HG LYS 80 1HG LYS 80 7.023 10.835 2.650 1837 2HG LYS 80 2HG LYS 80 7.024 9.903 1.136 1838 1HD LYS 80 1HD LYS 80 8.544 8.244 2.158 1839 2HD LYS 80 2HD LYS 80 8.539 9.152 3.680 1840 1HE LYS 80 1HE LYS 80 6.090 7.880 2.358 1841 2HE LYS 80 2HE LYS 80 6.984 7.216 3.734 1842 1HZ LYS 80 1HZ LYS 80 5.558 9.780 3.720 1843 2HZ LYS 80 2HZ LYS 80 5.037 8.388 4.422 1844 3HZ LYS 80 3HZ LYS 80 6.386 9.142 4.995 1845 H ARG 81 H ARG 81 9.752 13.541 2.675 1846 HA ARG 81 HA ARG 81 7.569 14.533 4.181 1847 1HB ARG 81 1HB ARG 81 9.783 14.598 5.072 1848 2HB ARG 81 2HB ARG 81 10.364 15.670 3.793 1849 1HG ARG 81 1HG ARG 81 8.033 16.628 5.451 1850 2HG ARG 81 2HG ARG 81 9.616 16.567 6.222 1851 1HD ARG 81 1HD ARG 81 10.612 18.056 4.693 1852 2HD ARG 81 2HD ARG 81 9.299 17.994 3.543 1853 HE ARG 81 HE ARG 81 9.449 19.535 6.023 1854 1HH1 ARG 81 1HH2 ARG 81 7.125 18.272 3.622 1855 2HH1 ARG 81 2HH2 ARG 81 6.212 19.762 3.566 1856 1HH2 ARG 81 2HH1 ARG 81 8.095 21.375 6.076 1857 2HH2 ARG 81 1HH1 ARG 81 6.669 21.441 5.071 1858 H THR 82 H THR 82 9.235 15.967 1.322 1859 HA THR 82 HA THR 82 7.819 18.438 1.407 1860 HB THR 82 HB THR 82 8.996 17.024 -1.019 1861 HG1 THR 82 HG1 THR 82 10.482 17.424 0.687 1862 1HG2 THR 82 1HG2 THR 82 7.500 18.878 -1.681 1863 2HG2 THR 82 2HG2 THR 82 8.302 19.951 -0.513 1864 3HG2 THR 82 3HG2 THR 82 9.198 19.327 -1.911 1865 H ARG 83 H ARG 83 7.072 15.326 -0.297 1866 HA ARG 83 HA ARG 83 4.658 16.327 -1.480 1867 1HB ARG 83 1HB ARG 83 5.546 13.513 -0.740 1868 2HB ARG 83 2HB ARG 83 4.170 13.905 -1.771 1869 1HG ARG 83 1HG ARG 83 5.630 14.928 -3.455 1870 2HG ARG 83 2HG ARG 83 7.031 14.723 -2.405 1871 1HD ARG 83 1HD ARG 83 6.332 12.166 -2.433 1872 2HD ARG 83 2HD ARG 83 5.528 12.596 -3.940 1873 HE ARG 83 HE ARG 83 8.373 12.353 -3.354 1874 1HH1 ARG 83 2HH1 ARG 83 6.099 13.922 -5.575 1875 2HH1 ARG 83 1HH1 ARG 83 7.275 14.050 -6.871 1876 1HH2 ARG 83 2HH2 ARG 83 9.872 12.541 -4.996 1877 2HH2 ARG 83 1HH2 ARG 83 9.492 13.357 -6.484 1878 H LEU 84 H LEU 84 5.369 14.660 1.614 1879 HA LEU 84 HA LEU 84 2.660 14.205 2.341 1880 1HB LEU 84 1HB LEU 84 4.546 12.966 3.221 1881 2HB LEU 84 2HB LEU 84 5.197 14.397 4.015 1882 HG LEU 84 HG LEU 84 2.385 13.659 4.736 1883 1HD1 LEU 84 1HD1 LEU 84 3.128 11.898 6.301 1884 2HD1 LEU 84 2HD1 LEU 84 4.770 11.988 5.624 1885 3HD1 LEU 84 3HD1 LEU 84 3.413 11.436 4.615 1886 1HD2 LEU 84 1HD2 LEU 84 4.828 14.418 6.402 1887 2HD2 LEU 84 2HD2 LEU 84 3.164 14.250 6.996 1888 3HD2 LEU 84 3HD2 LEU 84 3.569 15.547 5.866 1889 H GLY 85 H GLY 85 4.906 16.864 3.061 1890 1HA GLY 85 1HA GLY 85 2.719 18.421 4.421 1891 2HA GLY 85 2HA GLY 85 4.450 18.554 4.742 1892 H LEU 86 H LEU 86 2.421 18.445 1.809 1893 HA LEU 86 HA LEU 86 3.890 20.202 0.216 1894 1HB LEU 86 1HB LEU 86 2.097 18.604 -0.434 1895 2HB LEU 86 2HB LEU 86 0.874 19.682 0.226 1896 HG LEU 86 HG LEU 86 0.953 19.748 -2.172 1897 1HD1 LEU 86 1HD1 LEU 86 0.370 21.845 -0.957 1898 2HD1 LEU 86 2HD1 LEU 86 2.021 22.435 -1.285 1899 3HD1 LEU 86 3HD1 LEU 86 0.937 22.056 -2.622 1900 1HD2 LEU 86 1HD2 LEU 86 3.807 20.796 -2.017 1901 2HD2 LEU 86 2HD2 LEU 86 2.837 20.540 -3.478 1902 3HD2 LEU 86 3HD2 LEU 86 3.337 19.150 -2.498 1903 H GLU 87 H GLU 87 0.999 20.891 2.224 1904 HA GLU 87 HA GLU 87 1.942 23.611 2.785 1905 1HB GLU 87 1HB GLU 87 0.546 23.806 0.711 1906 2HB GLU 87 2HB GLU 87 -0.815 23.068 1.578 1907 1HG GLU 87 1HG GLU 87 -0.785 24.970 3.198 1908 2HG GLU 87 2HG GLU 87 0.590 25.676 2.331 Start of MODEL 9 1 1H SER 1 1H SER 1 8.106 5.937 -14.413 2 2H SER 1 2H SER 1 9.731 5.978 -14.066 3 3H SER 1 3H SER 1 8.633 5.902 -12.847 4 HA SER 1 HA SER 1 9.132 3.865 -14.889 5 1HB SER 1 1HB SER 1 9.700 3.661 -11.955 6 2HB SER 1 2HB SER 1 10.328 2.613 -13.249 7 HG SER 1 HG SER 1 11.929 4.069 -12.587 8 H GLU 2 H GLU 2 8.245 1.700 -14.149 9 HA GLU 2 HA GLU 2 5.571 1.703 -14.415 10 1HB GLU 2 1HB GLU 2 6.989 -0.461 -12.795 11 2HB GLU 2 2HB GLU 2 5.505 -0.592 -13.740 12 1HG GLU 2 1HG GLU 2 6.993 -1.538 -15.202 13 2HG GLU 2 2HG GLU 2 7.075 0.132 -15.769 14 H LEU 3 H LEU 3 7.139 1.283 -11.191 15 HA LEU 3 HA LEU 3 4.677 1.096 -9.787 16 1HB LEU 3 1HB LEU 3 7.304 2.137 -8.684 17 2HB LEU 3 2HB LEU 3 5.906 1.547 -7.765 18 HG LEU 3 HG LEU 3 7.745 -0.107 -9.546 19 1HD1 LEU 3 1HD1 LEU 3 8.518 0.433 -7.218 20 2HD1 LEU 3 2HD1 LEU 3 7.019 -0.263 -6.584 21 3HD1 LEU 3 3HD1 LEU 3 8.182 -1.293 -7.443 22 1HD2 LEU 3 1HD2 LEU 3 6.351 -2.059 -8.790 23 2HD2 LEU 3 2HD2 LEU 3 5.525 -1.007 -9.942 24 3HD2 LEU 3 3HD2 LEU 3 5.138 -0.902 -8.208 25 H GLU 4 H GLU 4 6.511 4.003 -10.794 26 HA GLU 4 HA GLU 4 5.049 5.819 -9.078 27 1HB GLU 4 1HB GLU 4 6.550 6.319 -11.674 28 2HB GLU 4 2HB GLU 4 5.936 7.565 -10.584 29 1HG GLU 4 1HG GLU 4 7.342 6.743 -8.747 30 2HG GLU 4 2HG GLU 4 7.907 5.408 -9.743 31 H LYS 5 H LYS 5 4.657 4.553 -12.368 32 HA LYS 5 HA LYS 5 2.405 6.204 -13.109 33 1HB LYS 5 1HB LYS 5 3.126 3.455 -14.175 34 2HB LYS 5 2HB LYS 5 2.040 4.637 -14.905 35 1HG LYS 5 1HG LYS 5 5.052 4.891 -14.547 36 2HG LYS 5 2HG LYS 5 4.147 4.683 -16.045 37 1HD LYS 5 1HD LYS 5 3.051 6.938 -15.617 38 2HD LYS 5 2HD LYS 5 4.094 7.121 -14.194 39 1HE LYS 5 1HE LYS 5 5.079 8.339 -16.023 40 2HE LYS 5 2HE LYS 5 6.114 6.959 -15.624 41 1HZ LYS 5 1HZ LYS 5 5.808 7.242 -17.979 42 2HZ LYS 5 2HZ LYS 5 5.175 5.802 -17.494 43 3HZ LYS 5 3HZ LYS 5 4.175 7.068 -17.836 44 H ALA 6 H ALA 6 2.640 2.862 -11.872 45 HA ALA 6 HA ALA 6 -0.096 2.308 -11.527 46 1HB ALA 6 1HB ALA 6 2.311 1.498 -9.841 47 2HB ALA 6 2HB ALA 6 0.730 0.712 -9.786 48 3HB ALA 6 3HB ALA 6 1.696 0.654 -11.273 49 H VAL 7 H VAL 7 2.182 3.857 -9.244 50 HA VAL 7 HA VAL 7 0.362 4.327 -7.146 51 HB VAL 7 HB VAL 7 3.012 5.501 -7.985 52 1HG1 VAL 7 1HG1 VAL 7 1.326 6.441 -5.667 53 2HG1 VAL 7 2HG1 VAL 7 3.078 6.688 -5.809 54 3HG1 VAL 7 3HG1 VAL 7 1.989 7.417 -7.002 55 1HG2 VAL 7 1HG2 VAL 7 2.850 3.213 -6.926 56 2HG2 VAL 7 2HG2 VAL 7 3.752 4.371 -5.934 57 3HG2 VAL 7 3HG2 VAL 7 2.074 3.952 -5.529 58 H VAL 8 H VAL 8 1.307 6.675 -9.817 59 HA VAL 8 HA VAL 8 -0.567 8.578 -8.766 60 HB VAL 8 HB VAL 8 -0.357 9.844 -10.776 61 1HG1 VAL 8 1HG1 VAL 8 2.333 8.785 -9.818 62 2HG1 VAL 8 2HG1 VAL 8 2.030 10.334 -10.624 63 3HG1 VAL 8 3HG1 VAL 8 1.353 10.028 -9.015 64 1HG2 VAL 8 1HG2 VAL 8 -0.265 8.070 -12.488 65 2HG2 VAL 8 2HG2 VAL 8 1.109 9.181 -12.625 66 3HG2 VAL 8 3HG2 VAL 8 1.331 7.595 -11.876 67 H ALA 9 H ALA 9 -0.964 5.881 -11.075 68 HA ALA 9 HA ALA 9 -3.633 6.486 -11.836 69 1HB ALA 9 1HB ALA 9 -2.370 3.747 -11.423 70 2HB ALA 9 2HB ALA 9 -3.873 4.096 -12.276 71 3HB ALA 9 3HB ALA 9 -2.336 4.715 -12.908 72 H LEU 10 H LEU 10 -2.428 4.607 -8.958 73 HA LEU 10 HA LEU 10 -4.991 4.143 -7.813 74 1HB LEU 10 1HB LEU 10 -2.168 4.229 -6.783 75 2HB LEU 10 2HB LEU 10 -3.447 4.478 -5.599 76 HG LEU 10 HG LEU 10 -4.542 2.373 -6.274 77 1HD1 LEU 10 1HD1 LEU 10 -1.995 1.880 -7.877 78 2HD1 LEU 10 2HD1 LEU 10 -3.327 0.736 -7.635 79 3HD1 LEU 10 3HD1 LEU 10 -3.586 2.194 -8.609 80 1HD2 LEU 10 1HD2 LEU 10 -2.827 0.911 -5.218 81 2HD2 LEU 10 2HD2 LEU 10 -1.625 2.201 -5.422 82 3HD2 LEU 10 3HD2 LEU 10 -3.030 2.450 -4.359 83 H ILE 11 H ILE 11 -2.732 6.888 -7.289 84 HA ILE 11 HA ILE 11 -4.339 8.276 -5.405 85 HB ILE 11 HB ILE 11 -2.363 9.313 -7.476 86 1HG1 ILE 11 1HG1 ILE 11 -2.113 8.838 -4.472 87 2HG1 ILE 11 2HG1 ILE 11 -1.479 7.768 -5.716 88 1HG2 ILE 11 1HG2 ILE 11 -3.554 10.832 -5.121 89 2HG2 ILE 11 2HG2 ILE 11 -2.278 11.415 -6.210 90 3HG2 ILE 11 3HG2 ILE 11 -3.889 11.159 -6.832 91 1HD1 ILE 11 1HD1 ILE 11 -0.044 9.663 -6.558 92 2HD1 ILE 11 2HD1 ILE 11 -0.545 10.605 -5.135 93 3HD1 ILE 11 3HD1 ILE 11 0.338 9.097 -4.925 94 H ASP 12 H ASP 12 -4.197 8.659 -8.981 95 HA ASP 12 HA ASP 12 -6.135 10.730 -9.047 96 1HB ASP 12 1HB ASP 12 -4.528 10.363 -10.855 97 2HB ASP 12 2HB ASP 12 -5.262 8.797 -11.234 98 H VAL 13 H VAL 13 -6.470 7.198 -9.786 99 HA VAL 13 HA VAL 13 -9.231 7.286 -10.421 100 HB VAL 13 HB VAL 13 -7.486 5.083 -9.257 101 1HG1 VAL 13 1HG1 VAL 13 -10.349 4.889 -10.289 102 2HG1 VAL 13 2HG1 VAL 13 -9.277 3.508 -9.994 103 3HG1 VAL 13 3HG1 VAL 13 -9.795 4.517 -8.640 104 1HG2 VAL 13 1HG2 VAL 13 -7.525 4.223 -11.547 105 2HG2 VAL 13 2HG2 VAL 13 -8.663 5.493 -12.048 106 3HG2 VAL 13 3HG2 VAL 13 -7.002 5.914 -11.605 107 H PHE 14 H PHE 14 -7.598 6.684 -7.240 108 HA PHE 14 HA PHE 14 -9.999 6.469 -5.745 109 1HB PHE 14 1HB PHE 14 -7.809 5.915 -4.832 110 2HB PHE 14 2HB PHE 14 -7.289 7.594 -4.955 111 HD1 PHE 14 HD1 PHE 14 -9.366 5.202 -3.065 112 HD2 PHE 14 HD2 PHE 14 -8.235 9.343 -3.467 113 HE1 PHE 14 HE1 PHE 14 -10.217 5.676 -0.772 114 HE2 PHE 14 HE2 PHE 14 -9.126 9.807 -1.225 115 HZ PHE 14 HZ PHE 14 -10.046 7.940 0.175 116 H HIS 15 H HIS 15 -8.000 9.408 -6.434 117 HA HIS 15 HA HIS 15 -9.504 11.217 -4.933 118 1HB HIS 15 1HB HIS 15 -7.273 11.635 -5.900 119 2HB HIS 15 2HB HIS 15 -7.969 11.703 -7.522 120 HD1 HIS 15 HD1 HIS 15 -8.872 14.074 -8.255 121 HD2 HIS 15 HD2 HIS 15 -8.039 13.632 -4.147 122 HE1 HIS 15 HE1 HIS 15 -9.006 16.405 -7.221 123 H GLN 16 H GLN 16 -9.836 10.446 -8.426 124 HA GLN 16 HA GLN 16 -11.964 12.290 -8.862 125 1HB GLN 16 1HB GLN 16 -11.265 9.767 -10.434 126 2HB GLN 16 2HB GLN 16 -12.339 11.064 -10.975 127 1HG GLN 16 1HG GLN 16 -9.337 11.219 -10.549 128 2HG GLN 16 2HG GLN 16 -10.234 11.422 -12.039 129 1HE2 GLN 16 1HE2 GLN 16 -11.922 13.340 -11.917 130 2HE2 GLN 16 2HE2 GLN 16 -11.330 14.786 -11.120 131 H TYR 17 H TYR 17 -12.080 8.959 -7.650 132 HA TYR 17 HA TYR 17 -15.032 8.858 -7.772 133 1HB TYR 17 1HB TYR 17 -12.897 7.111 -6.564 134 2HB TYR 17 2HB TYR 17 -14.600 6.916 -6.181 135 HD1 TYR 17 HD1 TYR 17 -12.591 7.403 -9.388 136 HD2 TYR 17 HD2 TYR 17 -15.793 5.317 -7.392 137 HE1 TYR 17 HE1 TYR 17 -12.533 5.686 -11.130 138 HE2 TYR 17 HE2 TYR 17 -15.846 3.680 -9.262 139 HH TYR 17 HH TYR 17 -13.151 3.349 -11.489 140 H SER 18 H SER 18 -12.636 9.173 -5.143 141 HA SER 18 HA SER 18 -14.425 9.474 -3.032 142 1HB SER 18 1HB SER 18 -11.661 10.722 -3.279 143 2HB SER 18 2HB SER 18 -12.509 10.230 -1.801 144 HG SER 18 HG SER 18 -11.352 8.610 -3.745 145 H GLY 19 H GLY 19 -13.186 11.998 -5.244 146 1HA GLY 19 1HA GLY 19 -14.096 14.271 -3.814 147 2HA GLY 19 2HA GLY 19 -13.835 14.148 -5.562 148 H ARG 20 H ARG 20 -15.911 11.822 -5.643 149 HA ARG 20 HA ARG 20 -18.069 13.631 -6.334 150 1HB ARG 20 1HB ARG 20 -18.123 10.601 -6.415 151 2HB ARG 20 2HB ARG 20 -19.150 11.758 -7.276 152 1HG ARG 20 1HG ARG 20 -16.698 12.629 -8.117 153 2HG ARG 20 2HG ARG 20 -16.297 10.968 -7.740 154 1HD ARG 20 1HD ARG 20 -18.641 11.623 -9.545 155 2HD ARG 20 2HD ARG 20 -17.004 11.482 -10.160 156 HE ARG 20 HE ARG 20 -18.719 9.317 -9.120 157 1HH1 ARG 20 2HH2 ARG 20 -15.349 10.177 -9.823 158 2HH1 ARG 20 1HH2 ARG 20 -14.968 8.621 -10.517 159 1HH2 ARG 20 1HH1 ARG 20 -18.082 7.175 -9.700 160 2HH2 ARG 20 2HH1 ARG 20 -16.473 6.882 -10.287 161 H GLU 21 H GLU 21 -17.645 11.026 -3.866 162 HA GLU 21 HA GLU 21 -19.480 12.489 -2.144 163 1HB GLU 21 1HB GLU 21 -20.102 9.580 -2.736 164 2HB GLU 21 2HB GLU 21 -20.882 10.622 -1.551 165 1HG GLU 21 1HG GLU 21 -21.712 12.080 -3.397 166 2HG GLU 21 2HG GLU 21 -20.960 10.993 -4.580 167 H GLY 22 H GLY 22 -18.677 12.543 -0.189 168 1HA GLY 22 1HA GLY 22 -17.822 11.313 1.772 169 2HA GLY 22 2HA GLY 22 -16.625 10.554 0.715 170 H ASP 23 H ASP 23 -14.877 11.869 -0.112 171 HA ASP 23 HA ASP 23 -14.873 14.722 -0.085 172 1HB ASP 23 1HB ASP 23 -14.490 14.581 2.333 173 2HB ASP 23 2HB ASP 23 -13.309 13.280 2.113 174 H LYS 24 H LYS 24 -12.638 15.429 -0.998 175 HA LYS 24 HA LYS 24 -11.626 13.796 -3.006 176 1HB LYS 24 1HB LYS 24 -9.532 15.134 -2.808 177 2HB LYS 24 2HB LYS 24 -11.019 16.066 -2.996 178 1HG LYS 24 1HG LYS 24 -10.968 16.808 -0.708 179 2HG LYS 24 2HG LYS 24 -9.762 15.590 -0.266 180 1HD LYS 24 1HD LYS 24 -8.708 17.756 -0.408 181 2HD LYS 24 2HD LYS 24 -8.068 16.655 -1.633 182 1HE LYS 24 1HE LYS 24 -9.396 17.754 -3.387 183 2HE LYS 24 2HE LYS 24 -10.154 18.805 -2.170 184 1HZ LYS 24 1HZ LYS 24 -7.940 19.645 -1.685 185 2HZ LYS 24 2HZ LYS 24 -7.302 18.744 -2.904 186 3HZ LYS 24 3HZ LYS 24 -8.389 19.929 -3.246 187 H HIS 25 H HIS 25 -10.757 13.708 0.438 188 HA HIS 25 HA HIS 25 -8.657 11.703 -0.018 189 1HB HIS 25 1HB HIS 25 -8.405 13.709 1.462 190 2HB HIS 25 2HB HIS 25 -9.627 13.028 2.534 191 HD1 HIS 25 HD1 HIS 25 -6.129 12.076 1.142 192 HD2 HIS 25 HD2 HIS 25 -8.778 11.283 4.320 193 HE1 HIS 25 HE1 HIS 25 -4.851 10.645 2.828 194 H LYS 26 H LYS 26 -12.047 11.410 0.291 195 HA LYS 26 HA LYS 26 -11.832 8.862 1.763 196 1HB LYS 26 1HB LYS 26 -13.831 10.988 2.592 197 2HB LYS 26 2HB LYS 26 -13.491 9.428 3.355 198 1HG LYS 26 1HG LYS 26 -11.201 10.252 3.963 199 2HG LYS 26 2HG LYS 26 -11.578 11.803 3.220 200 1HD LYS 26 1HD LYS 26 -11.741 11.913 5.639 201 2HD LYS 26 2HD LYS 26 -13.250 12.339 4.828 202 1HE LYS 26 1HE LYS 26 -13.513 10.933 6.904 203 2HE LYS 26 2HE LYS 26 -14.287 10.282 5.467 204 1HZ LYS 26 1HZ LYS 26 -12.285 8.890 5.197 205 2HZ LYS 26 2HZ LYS 26 -11.768 9.394 6.686 206 3HZ LYS 26 3HZ LYS 26 -13.181 8.546 6.521 207 H LEU 27 H LEU 27 -13.062 7.290 0.929 208 HA LEU 27 HA LEU 27 -14.979 7.886 -1.257 209 1HB LEU 27 1HB LEU 27 -13.838 5.331 -0.064 210 2HB LEU 27 2HB LEU 27 -15.088 5.326 -1.306 211 HG LEU 27 HG LEU 27 -12.392 6.610 -1.733 212 1HD1 LEU 27 1HD1 LEU 27 -12.144 4.176 -1.207 213 2HD1 LEU 27 2HD1 LEU 27 -13.327 3.809 -2.481 214 3HD1 LEU 27 3HD1 LEU 27 -11.763 4.525 -2.905 215 1HD2 LEU 27 1HD2 LEU 27 -14.241 7.248 -3.342 216 2HD2 LEU 27 2HD2 LEU 27 -12.942 6.329 -4.119 217 3HD2 LEU 27 3HD2 LEU 27 -14.473 5.530 -3.709 218 H LYS 28 H LYS 28 -17.148 8.217 -0.720 219 HA LYS 28 HA LYS 28 -18.262 6.942 1.677 220 1HB LYS 28 1HB LYS 28 -19.021 9.114 0.829 221 2HB LYS 28 2HB LYS 28 -19.654 8.349 -0.636 222 1HG LYS 28 1HG LYS 28 -21.464 7.405 0.484 223 2HG LYS 28 2HG LYS 28 -20.558 7.209 1.994 224 1HD LYS 28 1HD LYS 28 -20.605 9.667 2.354 225 2HD LYS 28 2HD LYS 28 -21.593 9.846 0.893 226 1HE LYS 28 1HE LYS 28 -23.026 9.893 2.858 227 2HE LYS 28 2HE LYS 28 -23.357 8.401 1.957 228 1HZ LYS 28 1HZ LYS 28 -21.986 7.240 3.538 229 2HZ LYS 28 2HZ LYS 28 -21.617 8.642 4.320 230 3HZ LYS 28 3HZ LYS 28 -23.165 8.072 4.332 231 H LYS 29 H LYS 29 -19.880 5.170 1.520 232 HA LYS 29 HA LYS 29 -18.968 3.045 -0.069 233 1HB LYS 29 1HB LYS 29 -21.017 1.805 0.719 234 2HB LYS 29 2HB LYS 29 -19.932 2.457 1.907 235 1HG LYS 29 1HG LYS 29 -22.081 2.747 2.734 236 2HG LYS 29 2HG LYS 29 -21.520 4.364 2.340 237 1HD LYS 29 1HD LYS 29 -22.904 4.330 0.263 238 2HD LYS 29 2HD LYS 29 -23.363 2.646 0.601 239 1HE LYS 29 1HE LYS 29 -24.411 3.399 2.750 240 2HE LYS 29 2HE LYS 29 -23.974 5.072 2.357 241 1HZ LYS 29 1HZ LYS 29 -25.801 3.326 0.865 242 2HZ LYS 29 2HZ LYS 29 -26.200 4.643 1.763 243 3HZ LYS 29 3HZ LYS 29 -25.343 4.837 0.368 244 H SER 30 H SER 30 -21.262 5.456 -1.089 245 HA SER 30 HA SER 30 -22.420 4.109 -3.310 246 1HB SER 30 1HB SER 30 -22.207 6.663 -4.108 247 2HB SER 30 2HB SER 30 -23.330 6.201 -2.818 248 HG SER 30 HG SER 30 -21.974 7.986 -2.249 249 H GLU 31 H GLU 31 -19.354 5.902 -2.805 250 HA GLU 31 HA GLU 31 -18.483 5.543 -5.570 251 1HB GLU 31 1HB GLU 31 -16.852 6.566 -3.208 252 2HB GLU 31 2HB GLU 31 -16.585 6.831 -4.940 253 1HG GLU 31 1HG GLU 31 -18.789 7.933 -3.185 254 2HG GLU 31 2HG GLU 31 -17.540 8.854 -4.019 255 H LEU 32 H LEU 32 -17.601 4.331 -2.316 256 HA LEU 32 HA LEU 32 -15.431 2.766 -3.068 257 1HB LEU 32 1HB LEU 32 -16.623 3.337 -0.713 258 2HB LEU 32 2HB LEU 32 -17.222 1.679 -0.926 259 HG LEU 32 HG LEU 32 -14.336 2.657 -0.782 260 1HD1 LEU 32 1HD1 LEU 32 -15.528 2.492 1.346 261 2HD1 LEU 32 2HD1 LEU 32 -15.959 0.799 0.991 262 3HD1 LEU 32 3HD1 LEU 32 -14.261 1.259 1.236 263 1HD2 LEU 32 1HD2 LEU 32 -14.282 0.851 -2.386 264 2HD2 LEU 32 2HD2 LEU 32 -13.718 0.216 -0.842 265 3HD2 LEU 32 3HD2 LEU 32 -15.375 -0.137 -1.380 266 H LYS 33 H LYS 33 -18.929 1.936 -3.063 267 HA LYS 33 HA LYS 33 -18.724 -0.777 -3.752 268 1HB LYS 33 1HB LYS 33 -20.773 0.356 -3.031 269 2HB LYS 33 2HB LYS 33 -20.822 1.316 -4.483 270 1HG LYS 33 1HG LYS 33 -21.138 -0.854 -5.797 271 2HG LYS 33 2HG LYS 33 -20.991 -1.738 -4.260 272 1HD LYS 33 1HD LYS 33 -22.997 -0.342 -3.437 273 2HD LYS 33 2HD LYS 33 -23.196 0.182 -5.117 274 1HE LYS 33 1HE LYS 33 -23.426 -2.215 -5.813 275 2HE LYS 33 2HE LYS 33 -23.187 -2.720 -4.129 276 1HZ LYS 33 1HZ LYS 33 -25.449 -2.703 -4.597 277 2HZ LYS 33 2HZ LYS 33 -25.157 -1.454 -3.566 278 3HZ LYS 33 3HZ LYS 33 -25.428 -1.147 -5.165 279 H GLU 34 H GLU 34 -19.206 2.014 -5.997 280 HA GLU 34 HA GLU 34 -18.958 0.306 -8.325 281 1HB GLU 34 1HB GLU 34 -18.945 2.377 -9.634 282 2HB GLU 34 2HB GLU 34 -20.301 2.235 -8.509 283 1HG GLU 34 1HG GLU 34 -19.110 3.776 -6.931 284 2HG GLU 34 2HG GLU 34 -17.837 3.990 -8.127 285 H LEU 35 H LEU 35 -16.661 2.311 -6.529 286 HA LEU 35 HA LEU 35 -14.369 2.038 -8.146 287 1HB LEU 35 1HB LEU 35 -14.564 3.433 -6.135 288 2HB LEU 35 2HB LEU 35 -14.746 2.006 -5.140 289 HG LEU 35 HG LEU 35 -12.633 2.917 -4.759 290 1HD1 LEU 35 1HD1 LEU 35 -11.152 1.130 -5.076 291 2HD1 LEU 35 2HD1 LEU 35 -12.745 0.402 -4.966 292 3HD1 LEU 35 3HD1 LEU 35 -11.935 0.583 -6.551 293 1HD2 LEU 35 1HD2 LEU 35 -12.318 4.318 -6.681 294 2HD2 LEU 35 2HD2 LEU 35 -10.898 3.273 -6.488 295 3HD2 LEU 35 3HD2 LEU 35 -12.116 2.917 -7.741 296 H ILE 36 H ILE 36 -15.516 -0.254 -5.503 297 HA ILE 36 HA ILE 36 -13.477 -2.137 -6.188 298 HB ILE 36 HB ILE 36 -16.061 -2.431 -4.661 299 1HG1 ILE 36 1HG1 ILE 36 -13.105 -2.470 -3.864 300 2HG1 ILE 36 2HG1 ILE 36 -14.207 -1.104 -3.674 301 1HG2 ILE 36 1HG2 ILE 36 -15.578 -4.656 -5.682 302 2HG2 ILE 36 2HG2 ILE 36 -13.894 -4.545 -5.126 303 3HG2 ILE 36 3HG2 ILE 36 -15.224 -4.699 -3.974 304 1HD1 ILE 36 1HD1 ILE 36 -13.990 -2.186 -1.545 305 2HD1 ILE 36 2HD1 ILE 36 -15.627 -2.527 -2.148 306 3HD1 ILE 36 3HD1 ILE 36 -14.353 -3.773 -2.210 307 H ASN 37 H ASN 37 -16.939 -2.056 -7.196 308 HA ASN 37 HA ASN 37 -16.791 -4.524 -8.622 309 1HB ASN 37 1HB ASN 37 -18.613 -2.128 -9.070 310 2HB ASN 37 2HB ASN 37 -18.751 -3.664 -9.950 311 1HD2 ASN 37 2HD2 ASN 37 -19.026 -2.190 -6.726 312 2HD2 ASN 37 1HD2 ASN 37 -20.045 -3.461 -6.069 313 H ASN 38 H ASN 38 -16.197 -1.187 -9.767 314 HA ASN 38 HA ASN 38 -15.804 -1.976 -12.522 315 1HB ASN 38 1HB ASN 38 -16.673 0.238 -11.758 316 2HB ASN 38 2HB ASN 38 -15.076 0.589 -11.050 317 1HD2 ASN 38 1HD2 ASN 38 -14.969 2.474 -12.380 318 2HD2 ASN 38 2HD2 ASN 38 -14.620 2.329 -14.105 319 H GLU 39 H GLU 39 -13.639 -1.116 -9.772 320 HA GLU 39 HA GLU 39 -11.305 -1.274 -11.506 321 1HB GLU 39 1HB GLU 39 -11.415 -0.768 -8.551 322 2HB GLU 39 2HB GLU 39 -10.042 -0.612 -9.630 323 1HG GLU 39 1HG GLU 39 -12.575 1.067 -9.848 324 2HG GLU 39 2HG GLU 39 -11.044 1.569 -9.125 325 H LEU 40 H LEU 40 -12.687 -3.269 -8.858 326 HA LEU 40 HA LEU 40 -10.472 -5.252 -9.209 327 1HB LEU 40 1HB LEU 40 -12.300 -4.654 -6.861 328 2HB LEU 40 2HB LEU 40 -11.440 -6.172 -7.034 329 HG LEU 40 HG LEU 40 -9.295 -5.146 -7.035 330 1HD1 LEU 40 1HD1 LEU 40 -10.820 -2.544 -6.538 331 2HD1 LEU 40 2HD1 LEU 40 -9.085 -2.763 -6.231 332 3HD1 LEU 40 3HD1 LEU 40 -9.697 -2.888 -7.882 333 1HD2 LEU 40 1HD2 LEU 40 -10.317 -5.957 -4.959 334 2HD2 LEU 40 2HD2 LEU 40 -11.093 -4.379 -4.702 335 3HD2 LEU 40 3HD2 LEU 40 -9.324 -4.528 -4.634 336 H SER 41 H SER 41 -12.636 -5.041 -11.211 337 HA SER 41 HA SER 41 -14.817 -6.611 -10.783 338 1HB SER 41 1HB SER 41 -13.244 -6.690 -13.381 339 2HB SER 41 2HB SER 41 -15.002 -6.703 -13.148 340 HG SER 41 HG SER 41 -14.745 -4.559 -12.244 341 H HIS 42 H HIS 42 -11.542 -7.772 -11.317 342 HA HIS 42 HA HIS 42 -12.454 -10.614 -11.506 343 1HB HIS 42 1HB HIS 42 -9.698 -9.450 -12.045 344 2HB HIS 42 2HB HIS 42 -10.279 -11.075 -12.407 345 HD1 HIS 42 HD1 HIS 42 -10.135 -7.606 -13.872 346 HD2 HIS 42 HD2 HIS 42 -12.307 -11.182 -14.386 347 HE1 HIS 42 HE1 HIS 42 -11.330 -7.426 -16.122 348 H PHE 43 H PHE 43 -10.251 -8.382 -9.811 349 HA PHE 43 HA PHE 43 -9.142 -10.326 -8.033 350 1HB PHE 43 1HB PHE 43 -9.161 -7.325 -8.195 351 2HB PHE 43 2HB PHE 43 -8.728 -8.069 -6.672 352 HD1 PHE 43 HD1 PHE 43 -6.444 -8.221 -6.299 353 HD2 PHE 43 HD2 PHE 43 -7.923 -8.884 -10.297 354 HE1 PHE 43 HE1 PHE 43 -4.130 -8.469 -7.113 355 HE2 PHE 43 HE2 PHE 43 -5.601 -9.089 -11.119 356 HZ PHE 43 HZ PHE 43 -3.694 -8.845 -9.542 357 H LEU 44 H LEU 44 -12.209 -8.529 -7.844 358 HA LEU 44 HA LEU 44 -12.798 -10.159 -5.458 359 1HB LEU 44 1HB LEU 44 -12.453 -7.388 -5.273 360 2HB LEU 44 2HB LEU 44 -14.164 -7.510 -5.683 361 HG LEU 44 HG LEU 44 -14.207 -9.345 -3.821 362 1HD1 LEU 44 1HD1 LEU 44 -11.727 -9.481 -3.538 363 2HD1 LEU 44 2HD1 LEU 44 -11.697 -7.772 -3.064 364 3HD1 LEU 44 3HD1 LEU 44 -12.501 -8.973 -2.030 365 1HD2 LEU 44 1HD2 LEU 44 -13.813 -6.414 -3.080 366 2HD2 LEU 44 2HD2 LEU 44 -14.606 -7.637 -2.066 367 3HD2 LEU 44 3HD2 LEU 44 -15.340 -7.160 -3.609 368 H GLU 45 H GLU 45 -14.999 -10.886 -5.430 369 HA GLU 45 HA GLU 45 -16.313 -11.012 -8.026 370 1HB GLU 45 1HB GLU 45 -17.565 -11.576 -5.306 371 2HB GLU 45 2HB GLU 45 -18.120 -12.121 -6.880 372 1HG GLU 45 1HG GLU 45 -15.518 -13.014 -5.530 373 2HG GLU 45 2HG GLU 45 -17.004 -13.950 -5.679 374 H GLU 46 H GLU 46 -18.267 -9.885 -8.622 375 HA GLU 46 HA GLU 46 -18.490 -7.186 -7.781 376 1HB GLU 46 1HB GLU 46 -20.377 -7.050 -9.209 377 2HB GLU 46 2HB GLU 46 -19.221 -8.134 -9.995 378 1HG GLU 46 1HG GLU 46 -20.520 -10.070 -8.950 379 2HG GLU 46 2HG GLU 46 -21.655 -8.851 -8.355 380 H ILE 47 H ILE 47 -20.042 -6.188 -6.632 381 HA ILE 47 HA ILE 47 -20.454 -7.596 -4.088 382 HB ILE 47 HB ILE 47 -20.903 -4.673 -4.738 383 1HG1 ILE 47 1HG1 ILE 47 -18.477 -6.214 -3.669 384 2HG1 ILE 47 2HG1 ILE 47 -18.573 -5.357 -5.224 385 1HG2 ILE 47 1HG2 ILE 47 -20.806 -4.344 -2.334 386 2HG2 ILE 47 2HG2 ILE 47 -22.029 -5.560 -2.644 387 3HG2 ILE 47 3HG2 ILE 47 -20.421 -6.059 -2.079 388 1HD1 ILE 47 1HD1 ILE 47 -18.560 -4.102 -2.471 389 2HD1 ILE 47 2HD1 ILE 47 -17.353 -4.007 -3.749 390 3HD1 ILE 47 3HD1 ILE 47 -18.922 -3.219 -3.987 391 H LYS 48 H LYS 48 -22.588 -5.581 -6.140 392 HA LYS 48 HA LYS 48 -24.811 -5.385 -6.315 393 1HB LYS 48 1HB LYS 48 -24.791 -7.644 -7.077 394 2HB LYS 48 2HB LYS 48 -24.828 -8.289 -5.431 395 1HG LYS 48 1HG LYS 48 -27.065 -7.498 -5.054 396 2HG LYS 48 2HG LYS 48 -27.044 -6.534 -6.542 397 1HD LYS 48 1HD LYS 48 -28.341 -8.637 -6.739 398 2HD LYS 48 2HD LYS 48 -27.029 -8.516 -7.925 399 1HE LYS 48 1HE LYS 48 -25.634 -10.065 -6.626 400 2HE LYS 48 2HE LYS 48 -26.821 -10.083 -5.311 401 1HZ LYS 48 1HZ LYS 48 -27.270 -11.059 -8.040 402 2HZ LYS 48 2HZ LYS 48 -26.998 -11.990 -6.708 403 3HZ LYS 48 3HZ LYS 48 -28.373 -11.089 -6.813 404 H GLU 49 H GLU 49 -24.604 -7.357 -3.287 405 HA GLU 49 HA GLU 49 -26.691 -5.840 -2.030 406 1HB GLU 49 1HB GLU 49 -24.628 -7.803 -0.957 407 2HB GLU 49 2HB GLU 49 -25.786 -6.969 0.080 408 1HG GLU 49 1HG GLU 49 -26.761 -9.050 -0.355 409 2HG GLU 49 2HG GLU 49 -27.680 -7.873 -1.292 410 H GLN 50 H GLN 50 -26.435 -3.702 -1.644 411 HA GLN 50 HA GLN 50 -24.152 -2.265 -1.149 412 1HB GLN 50 1HB GLN 50 -26.495 -1.466 -1.599 413 2HB GLN 50 2HB GLN 50 -26.820 -1.589 0.132 414 1HG GLN 50 1HG GLN 50 -24.326 -0.070 -0.610 415 2HG GLN 50 2HG GLN 50 -25.827 0.606 -1.233 416 1HE2 GLN 50 1HE2 GLN 50 -24.426 -0.613 1.880 417 2HE2 GLN 50 2HE2 GLN 50 -25.279 0.579 2.853 418 H GLU 51 H GLU 51 -25.873 -4.345 1.089 419 HA GLU 51 HA GLU 51 -24.875 -3.482 3.591 420 1HB GLU 51 1HB GLU 51 -25.470 -6.309 2.602 421 2HB GLU 51 2HB GLU 51 -25.304 -5.819 4.291 422 1HG GLU 51 1HG GLU 51 -27.269 -4.365 4.124 423 2HG GLU 51 2HG GLU 51 -27.453 -4.731 2.403 424 H VAL 52 H VAL 52 -23.406 -5.583 1.056 425 HA VAL 52 HA VAL 52 -21.274 -6.532 2.763 426 HB VAL 52 HB VAL 52 -21.673 -6.513 -0.246 427 1HG1 VAL 52 1HG1 VAL 52 -19.231 -6.638 0.290 428 2HG1 VAL 52 2HG1 VAL 52 -19.565 -8.053 1.312 429 3HG1 VAL 52 3HG1 VAL 52 -19.881 -8.091 -0.440 430 1HG2 VAL 52 1HG2 VAL 52 -22.252 -8.856 0.044 431 2HG2 VAL 52 2HG2 VAL 52 -21.906 -8.773 1.785 432 3HG2 VAL 52 3HG2 VAL 52 -23.286 -7.893 1.099 433 H VAL 53 H VAL 53 -21.434 -4.067 0.131 434 HA VAL 53 HA VAL 53 -18.769 -3.175 0.426 435 HB VAL 53 HB VAL 53 -19.863 -2.424 -1.478 436 1HG1 VAL 53 1HG1 VAL 53 -21.747 -0.902 -1.523 437 2HG1 VAL 53 2HG1 VAL 53 -22.143 -2.372 -0.640 438 3HG1 VAL 53 3HG1 VAL 53 -21.815 -0.848 0.241 439 1HG2 VAL 53 1HG2 VAL 53 -19.366 -0.048 -1.418 440 2HG2 VAL 53 2HG2 VAL 53 -19.441 -0.012 0.335 441 3HG2 VAL 53 3HG2 VAL 53 -18.149 -0.925 -0.482 442 H ASP 54 H ASP 54 -21.771 -2.096 2.128 443 HA ASP 54 HA ASP 54 -20.538 -0.099 3.675 444 1HB ASP 54 1HB ASP 54 -22.956 -0.386 3.513 445 2HB ASP 54 2HB ASP 54 -22.879 -1.886 4.455 446 H LYS 55 H LYS 55 -20.965 -3.609 4.392 447 HA LYS 55 HA LYS 55 -19.847 -3.620 6.975 448 1HB LYS 55 1HB LYS 55 -21.131 -5.491 5.860 449 2HB LYS 55 2HB LYS 55 -19.694 -5.837 4.896 450 1HG LYS 55 1HG LYS 55 -18.482 -6.062 7.253 451 2HG LYS 55 2HG LYS 55 -20.127 -6.111 7.884 452 1HD LYS 55 1HD LYS 55 -19.491 -8.371 7.617 453 2HD LYS 55 2HD LYS 55 -20.547 -8.053 6.230 454 1HE LYS 55 1HE LYS 55 -18.509 -7.742 4.793 455 2HE LYS 55 2HE LYS 55 -17.478 -7.978 6.211 456 1HZ LYS 55 1HZ LYS 55 -18.387 -10.196 6.408 457 2HZ LYS 55 2HZ LYS 55 -19.309 -9.967 5.057 458 3HZ LYS 55 3HZ LYS 55 -17.671 -9.963 4.941 459 H VAL 56 H VAL 56 -18.225 -4.228 3.771 460 HA VAL 56 HA VAL 56 -15.674 -4.562 5.067 461 HB VAL 56 HB VAL 56 -14.592 -4.448 2.961 462 1HG1 VAL 56 1HG1 VAL 56 -17.175 -6.067 2.783 463 2HG1 VAL 56 2HG1 VAL 56 -15.669 -6.373 1.902 464 3HG1 VAL 56 3HG1 VAL 56 -15.711 -6.545 3.666 465 1HG2 VAL 56 1HG2 VAL 56 -15.872 -2.659 1.822 466 2HG2 VAL 56 2HG2 VAL 56 -15.796 -4.136 0.846 467 3HG2 VAL 56 3HG2 VAL 56 -17.264 -3.762 1.761 468 H MET 57 H MET 57 -17.325 -1.666 3.687 469 HA MET 57 HA MET 57 -15.195 0.113 4.086 470 1HB MET 57 1HB MET 57 -16.723 1.383 3.144 471 2HB MET 57 2HB MET 57 -18.079 0.367 3.638 472 1HG MET 57 1HG MET 57 -18.245 1.510 5.774 473 2HG MET 57 2HG MET 57 -16.796 2.460 5.405 474 1HE MET 57 1HE MET 57 -17.556 3.283 2.192 475 2HE MET 57 2HE MET 57 -18.042 4.903 2.709 476 3HE MET 57 3HE MET 57 -16.645 4.125 3.473 477 H GLU 58 H GLU 58 -17.753 -0.829 6.404 478 HA GLU 58 HA GLU 58 -16.895 0.586 8.662 479 1HB GLU 58 1HB GLU 58 -18.995 -0.735 8.413 480 2HB GLU 58 2HB GLU 58 -18.045 -2.205 8.685 481 1HG GLU 58 1HG GLU 58 -18.979 -1.518 10.737 482 2HG GLU 58 2HG GLU 58 -17.252 -1.229 10.883 483 H THR 59 H THR 59 -15.943 -2.647 7.544 484 HA THR 59 HA THR 59 -14.078 -3.277 9.538 485 HB THR 59 HB THR 59 -13.998 -4.116 6.606 486 HG1 THR 59 HG1 THR 59 -15.982 -4.553 7.597 487 1HG2 THR 59 1HG2 THR 59 -11.914 -4.737 7.640 488 2HG2 THR 59 2HG2 THR 59 -12.774 -5.408 9.052 489 3HG2 THR 59 3HG2 THR 59 -12.943 -6.160 7.449 490 H LEU 60 H LEU 60 -13.630 -0.994 6.820 491 HA LEU 60 HA LEU 60 -10.741 -0.702 7.604 492 1HB LEU 60 1HB LEU 60 -11.929 0.729 5.261 493 2HB LEU 60 2HB LEU 60 -10.277 0.239 5.586 494 HG LEU 60 HG LEU 60 -12.470 -1.699 4.821 495 1HD1 LEU 60 1HD1 LEU 60 -11.367 -1.735 2.634 496 2HD1 LEU 60 2HD1 LEU 60 -12.019 -0.138 3.023 497 3HD1 LEU 60 3HD1 LEU 60 -10.275 -0.424 3.169 498 1HD2 LEU 60 1HD2 LEU 60 -10.605 -3.271 4.531 499 2HD2 LEU 60 2HD2 LEU 60 -9.460 -2.031 5.108 500 3HD2 LEU 60 3HD2 LEU 60 -10.697 -2.686 6.204 501 H ASP 61 H ASP 61 -13.651 0.573 8.550 502 HA ASP 61 HA ASP 61 -13.076 3.385 8.077 503 1HB ASP 61 1HB ASP 61 -15.358 2.564 8.053 504 2HB ASP 61 2HB ASP 61 -15.223 2.064 9.749 505 H SER 62 H SER 62 -10.804 2.846 9.235 506 HA SER 62 HA SER 62 -10.675 2.916 12.054 507 1HB SER 62 1HB SER 62 -8.743 4.116 10.032 508 2HB SER 62 2HB SER 62 -8.377 3.694 11.719 509 HG SER 62 HG SER 62 -7.926 2.063 9.970 510 H ASP 63 H ASP 63 -11.381 5.489 9.761 511 HA ASP 63 HA ASP 63 -10.930 7.687 11.608 512 1HB ASP 63 1HB ASP 63 -12.456 7.440 8.978 513 2HB ASP 63 2HB ASP 63 -12.342 8.938 9.907 514 H GLY 64 H GLY 64 -13.416 5.275 11.451 515 1HA GLY 64 1HA GLY 64 -15.468 5.095 12.411 516 2HA GLY 64 2HA GLY 64 -14.913 6.298 13.585 517 H ASP 65 H ASP 65 -15.229 6.874 10.088 518 HA ASP 65 HA ASP 65 -17.366 8.914 10.611 519 1HB ASP 65 1HB ASP 65 -15.072 9.846 10.206 520 2HB ASP 65 2HB ASP 65 -15.043 9.017 8.640 521 H GLY 66 H GLY 66 -17.159 5.906 9.528 522 1HA GLY 66 1HA GLY 66 -18.272 4.679 7.960 523 2HA GLY 66 2HA GLY 66 -19.093 6.130 7.371 524 H GLU 67 H GLU 67 -17.554 7.706 6.279 525 HA GLU 67 HA GLU 67 -16.883 6.486 3.863 526 1HB GLU 67 1HB GLU 67 -15.578 9.080 4.213 527 2HB GLU 67 2HB GLU 67 -16.663 8.499 2.970 528 1HG GLU 67 1HG GLU 67 -17.426 9.626 5.698 529 2HG GLU 67 2HG GLU 67 -17.633 10.382 4.133 530 H CYS 68 H CYS 68 -14.968 5.700 2.933 531 HA CYS 68 HA CYS 68 -12.908 4.989 4.935 532 1HB CYS 68 1HB CYS 68 -13.498 3.996 2.121 533 2HB CYS 68 2HB CYS 68 -12.094 3.475 3.084 534 HG CYS 68 HG CYS 68 -13.521 2.791 5.219 535 H ASP 69 H ASP 69 -11.023 6.105 5.137 536 HA ASP 69 HA ASP 69 -10.401 8.233 3.299 537 1HB ASP 69 1HB ASP 69 -8.457 8.612 4.777 538 2HB ASP 69 2HB ASP 69 -9.982 8.497 5.674 539 H PHE 70 H PHE 70 -8.365 8.523 2.210 540 HA PHE 70 HA PHE 70 -7.700 6.562 0.436 541 1HB PHE 70 1HB PHE 70 -7.019 8.951 0.250 542 2HB PHE 70 2HB PHE 70 -5.784 8.673 1.472 543 HD1 PHE 70 HD1 PHE 70 -3.585 8.452 0.574 544 HD2 PHE 70 HD2 PHE 70 -6.918 6.874 -1.632 545 HE1 PHE 70 HE1 PHE 70 -2.082 7.816 -1.265 546 HE2 PHE 70 HE2 PHE 70 -5.442 6.389 -3.553 547 HZ PHE 70 HZ PHE 70 -3.018 6.826 -3.384 548 H GLN 71 H GLN 71 -5.925 7.111 3.501 549 HA GLN 71 HA GLN 71 -3.968 5.095 3.105 550 1HB GLN 71 1HB GLN 71 -3.495 6.520 4.831 551 2HB GLN 71 2HB GLN 71 -5.118 6.507 5.508 552 1HG GLN 71 1HG GLN 71 -4.856 4.310 6.432 553 2HG GLN 71 2HG GLN 71 -3.288 4.084 5.622 554 1HE2 GLN 71 2HE2 GLN 71 -1.664 6.005 6.163 555 2HE2 GLN 71 1HE2 GLN 71 -1.584 6.385 7.885 556 H GLU 72 H GLU 72 -7.249 4.865 4.541 557 HA GLU 72 HA GLU 72 -7.039 2.046 5.152 558 1HB GLU 72 1HB GLU 72 -9.375 3.970 4.881 559 2HB GLU 72 2HB GLU 72 -9.587 2.271 5.286 560 1HG GLU 72 1HG GLU 72 -7.817 4.203 6.840 561 2HG GLU 72 2HG GLU 72 -9.425 3.727 7.329 562 H PHE 73 H PHE 73 -8.334 3.773 2.351 563 HA PHE 73 HA PHE 73 -9.096 1.486 0.806 564 1HB PHE 73 1HB PHE 73 -9.690 3.474 -0.173 565 2HB PHE 73 2HB PHE 73 -8.171 4.267 0.175 566 HD1 PHE 73 HD1 PHE 73 -6.283 4.200 -1.349 567 HD2 PHE 73 HD2 PHE 73 -9.872 1.950 -2.188 568 HE1 PHE 73 HE1 PHE 73 -5.590 3.959 -3.724 569 HE2 PHE 73 HE2 PHE 73 -9.183 1.809 -4.587 570 HZ PHE 73 HZ PHE 73 -7.149 2.913 -5.365 571 H MET 74 H MET 74 -5.884 3.159 0.941 572 HA MET 74 HA MET 74 -4.780 1.232 -0.782 573 1HB MET 74 1HB MET 74 -3.973 3.556 -0.494 574 2HB MET 74 2HB MET 74 -3.187 3.084 1.027 575 1HG MET 74 1HG MET 74 -1.670 1.643 -0.115 576 2HG MET 74 2HG MET 74 -2.730 1.489 -1.518 577 1HE MET 74 1HE MET 74 -0.906 1.637 -3.176 578 2HE MET 74 2HE MET 74 0.316 2.928 -3.234 579 3HE MET 74 3HE MET 74 0.286 1.779 -1.866 580 H ALA 75 H ALA 75 -5.018 1.287 2.727 581 HA ALA 75 HA ALA 75 -3.271 -0.918 3.285 582 1HB ALA 75 1HB ALA 75 -5.800 -0.051 4.750 583 2HB ALA 75 2HB ALA 75 -4.521 -1.106 5.378 584 3HB ALA 75 3HB ALA 75 -4.168 0.598 5.026 585 H PHE 76 H PHE 76 -6.704 -0.711 2.281 586 HA PHE 76 HA PHE 76 -7.200 -3.570 2.478 587 1HB PHE 76 1HB PHE 76 -9.099 -2.289 2.525 588 2HB PHE 76 2HB PHE 76 -8.611 -1.242 1.207 589 HD1 PHE 76 HD1 PHE 76 -8.855 -1.823 -1.114 590 HD2 PHE 76 HD2 PHE 76 -10.296 -4.418 2.029 591 HE1 PHE 76 HE1 PHE 76 -10.287 -3.002 -2.743 592 HE2 PHE 76 HE2 PHE 76 -11.665 -5.646 0.365 593 HZ PHE 76 HZ PHE 76 -11.664 -4.938 -2.027 594 H VAL 77 H VAL 77 -6.323 -1.369 -0.200 595 HA VAL 77 HA VAL 77 -5.903 -3.329 -2.178 596 HB VAL 77 HB VAL 77 -4.424 -0.745 -1.686 597 1HG1 VAL 77 1HG1 VAL 77 -3.145 -2.218 -3.253 598 2HG1 VAL 77 2HG1 VAL 77 -4.609 -2.471 -4.213 599 3HG1 VAL 77 3HG1 VAL 77 -3.863 -0.865 -4.126 600 1HG2 VAL 77 1HG2 VAL 77 -6.714 -1.360 -3.612 601 2HG2 VAL 77 2HG2 VAL 77 -6.897 -0.464 -2.101 602 3HG2 VAL 77 3HG2 VAL 77 -5.898 0.204 -3.394 603 H ALA 78 H ALA 78 -3.648 -2.264 0.466 604 HA ALA 78 HA ALA 78 -1.452 -3.790 -0.337 605 1HB ALA 78 1HB ALA 78 -2.224 -3.277 2.558 606 2HB ALA 78 2HB ALA 78 -0.622 -3.628 1.908 607 3HB ALA 78 3HB ALA 78 -1.419 -2.099 1.495 608 H MET 79 H MET 79 -4.081 -4.829 1.933 609 HA MET 79 HA MET 79 -2.954 -7.488 2.107 610 1HB MET 79 1HB MET 79 -5.227 -8.196 2.953 611 2HB MET 79 2HB MET 79 -4.243 -7.084 3.911 612 1HG MET 79 1HG MET 79 -5.614 -5.211 3.239 613 2HG MET 79 2HG MET 79 -6.634 -6.264 2.225 614 1HE MET 79 1HE MET 79 -8.679 -5.080 5.494 615 2HE MET 79 2HE MET 79 -7.336 -4.185 4.742 616 3HE MET 79 3HE MET 79 -8.594 -4.945 3.722 617 H ILE 80 H ILE 80 -5.437 -6.105 -0.056 618 HA ILE 80 HA ILE 80 -6.163 -8.518 -1.362 619 HB ILE 80 HB ILE 80 -5.994 -5.647 -2.311 620 1HG1 ILE 80 1HG1 ILE 80 -7.613 -6.347 -0.414 621 2HG1 ILE 80 2HG1 ILE 80 -8.230 -5.400 -1.772 622 1HG2 ILE 80 1HG2 ILE 80 -5.910 -6.909 -4.333 623 2HG2 ILE 80 2HG2 ILE 80 -7.190 -8.012 -3.783 624 3HG2 ILE 80 3HG2 ILE 80 -7.558 -6.309 -4.148 625 1HD1 ILE 80 1HD1 ILE 80 -9.741 -7.210 -1.051 626 2HD1 ILE 80 2HD1 ILE 80 -9.262 -7.379 -2.746 627 3HD1 ILE 80 3HD1 ILE 80 -8.524 -8.420 -1.500 628 H THR 81 H THR 81 -3.637 -6.144 -2.312 629 HA THR 81 HA THR 81 -2.610 -7.621 -4.495 630 HB THR 81 HB THR 81 -0.495 -6.313 -4.101 631 HG1 THR 81 HG1 THR 81 -2.027 -5.131 -2.019 632 1HG2 THR 81 1HG2 THR 81 -1.448 -4.129 -4.644 633 2HG2 THR 81 2HG2 THR 81 -2.213 -5.450 -5.530 634 3HG2 THR 81 3HG2 THR 81 -3.075 -4.700 -4.183 635 H THR 82 H THR 82 -1.520 -7.565 -1.056 636 HA THR 82 HA THR 82 0.549 -9.456 -1.321 637 HB THR 82 HB THR 82 -1.334 -9.081 1.050 638 HG1 THR 82 HG1 THR 82 -0.347 -7.161 0.522 639 1HG2 THR 82 1HG2 THR 82 0.561 -9.904 2.388 640 2HG2 THR 82 2HG2 THR 82 0.045 -11.147 1.247 641 3HG2 THR 82 3HG2 THR 82 1.506 -10.193 0.911 642 H ALA 83 H ALA 83 -2.951 -10.087 -0.621 643 HA ALA 83 HA ALA 83 -2.657 -12.906 -0.485 644 1HB ALA 83 1HB ALA 83 -4.668 -11.717 0.285 645 2HB ALA 83 2HB ALA 83 -5.066 -11.266 -1.386 646 3HB ALA 83 3HB ALA 83 -5.086 -12.974 -0.898 647 H CYS 84 H CYS 84 -3.454 -10.774 -3.327 648 HA CYS 84 HA CYS 84 -3.650 -12.984 -5.118 649 1HB CYS 84 1HB CYS 84 -4.552 -10.828 -5.709 650 2HB CYS 84 2HB CYS 84 -2.911 -10.121 -5.788 651 HG CYS 84 HG CYS 84 -4.066 -10.773 -8.190 652 H HIS 85 H HIS 85 -0.816 -11.010 -4.175 653 HA HIS 85 HA HIS 85 1.101 -12.113 -5.912 654 1HB HIS 85 1HB HIS 85 1.488 -10.176 -4.387 655 2HB HIS 85 2HB HIS 85 1.543 -11.268 -3.009 656 HD1 HIS 85 HD1 HIS 85 3.608 -13.401 -3.541 657 HD2 HIS 85 HD2 HIS 85 3.825 -9.548 -5.258 658 HE1 HIS 85 HE1 HIS 85 5.977 -13.099 -4.386 659 H GLU 86 H GLU 86 0.334 -13.142 -2.525 660 HA GLU 86 HA GLU 86 1.967 -15.465 -2.653 661 1HB GLU 86 1HB GLU 86 -0.506 -15.019 -0.940 662 2HB GLU 86 2HB GLU 86 0.731 -16.261 -0.704 663 1HG GLU 86 1HG GLU 86 1.087 -13.251 -0.418 664 2HG GLU 86 2HG GLU 86 1.175 -14.474 0.844 665 H PHE 87 H PHE 87 -1.421 -14.990 -3.611 666 HA PHE 87 HA PHE 87 -2.091 -17.749 -3.932 667 1HB PHE 87 1HB PHE 87 -3.595 -15.722 -3.874 668 2HB PHE 87 2HB PHE 87 -3.182 -15.402 -5.549 669 HD1 PHE 87 HD1 PHE 87 -5.908 -15.930 -4.072 670 HD2 PHE 87 HD2 PHE 87 -3.371 -18.326 -6.639 671 HE1 PHE 87 HE1 PHE 87 -7.869 -17.147 -4.902 672 HE2 PHE 87 HE2 PHE 87 -5.338 -19.522 -7.447 673 HZ PHE 87 HZ PHE 87 -7.602 -18.955 -6.595 674 H PHE 88 H PHE 88 -1.088 -15.310 -6.397 675 HA PHE 88 HA PHE 88 -0.953 -17.278 -8.484 676 1HB PHE 88 1HB PHE 88 -1.469 -14.977 -8.919 677 2HB PHE 88 2HB PHE 88 0.089 -14.436 -8.260 678 HD1 PHE 88 HD1 PHE 88 -1.148 -16.899 -10.867 679 HD2 PHE 88 HD2 PHE 88 1.719 -13.831 -9.851 680 HE1 PHE 88 HE1 PHE 88 -0.072 -17.162 -13.081 681 HE2 PHE 88 HE2 PHE 88 2.758 -14.075 -12.082 682 HZ PHE 88 HZ PHE 88 1.873 -15.747 -13.699 683 H GLU 89 H GLU 89 1.469 -15.873 -6.311 684 HA GLU 89 HA GLU 89 3.865 -16.889 -7.394 685 1HB GLU 89 1HB GLU 89 3.745 -15.335 -5.542 686 2HB GLU 89 2HB GLU 89 2.866 -16.520 -4.554 687 1HG GLU 89 1HG GLU 89 4.936 -17.963 -4.561 688 2HG GLU 89 2HG GLU 89 5.772 -16.622 -5.382 689 H HIS 90 H HIS 90 1.607 -18.429 -4.993 690 HA HIS 90 HA HIS 90 2.963 -21.041 -5.365 691 1HB HIS 90 1HB HIS 90 0.538 -20.180 -3.760 692 2HB HIS 90 2HB HIS 90 1.280 -21.789 -3.715 693 HD1 HIS 90 HD1 HIS 90 1.765 -18.263 -2.430 694 HD2 HIS 90 HD2 HIS 90 3.863 -21.896 -2.657 695 HE1 HIS 90 HE1 HIS 90 3.815 -18.026 -0.901 696 H GLU 91 H GLU 91 2.505 -20.657 -7.748 697 HA GLU 91 HA GLU 91 -0.123 -20.766 -8.759 698 1HB GLU 91 1HB GLU 91 1.963 -20.056 -9.985 699 2HB GLU 91 2HB GLU 91 2.388 -21.766 -10.168 700 1HG GLU 91 1HG GLU 91 0.298 -22.144 -11.451 701 2HG GLU 91 2HG GLU 91 -0.198 -20.468 -11.157 702 1H SER 1 1H SER 1 -11.185 -0.182 -14.893 703 2H SER 1 2H SER 1 -12.184 -1.013 -13.877 704 3H SER 1 3H SER 1 -11.007 -0.044 -13.248 705 HA SER 1 HA SER 1 -10.503 -2.415 -13.109 706 1HB SER 1 1HB SER 1 -10.368 -2.308 -16.102 707 2HB SER 1 2HB SER 1 -10.182 -3.723 -15.030 708 HG SER 1 HG SER 1 -12.463 -2.919 -14.298 709 H GLU 2 H GLU 2 -9.313 0.516 -13.907 710 HA GLU 2 HA GLU 2 -6.685 -0.051 -14.835 711 1HB GLU 2 1HB GLU 2 -7.860 2.138 -14.998 712 2HB GLU 2 2HB GLU 2 -7.645 2.370 -13.253 713 1HG GLU 2 1HG GLU 2 -5.201 2.349 -13.529 714 2HG GLU 2 2HG GLU 2 -5.363 1.909 -15.236 715 H LEU 3 H LEU 3 -8.043 0.272 -11.501 716 HA LEU 3 HA LEU 3 -5.572 0.232 -10.119 717 1HB LEU 3 1HB LEU 3 -8.063 -1.180 -9.165 718 2HB LEU 3 2HB LEU 3 -6.648 -0.720 -8.214 719 HG LEU 3 HG LEU 3 -8.592 1.234 -9.500 720 1HD1 LEU 3 1HD1 LEU 3 -9.113 1.804 -7.174 721 2HD1 LEU 3 2HD1 LEU 3 -9.366 0.066 -7.411 722 3HD1 LEU 3 3HD1 LEU 3 -7.907 0.640 -6.586 723 1HD2 LEU 3 1HD2 LEU 3 -6.012 1.707 -7.972 724 2HD2 LEU 3 2HD2 LEU 3 -6.413 2.277 -9.610 725 3HD2 LEU 3 3HD2 LEU 3 -7.257 2.946 -8.209 726 H GLU 4 H GLU 4 -7.463 -2.580 -11.400 727 HA GLU 4 HA GLU 4 -5.745 -4.598 -10.420 728 1HB GLU 4 1HB GLU 4 -7.542 -4.428 -12.838 729 2HB GLU 4 2HB GLU 4 -6.495 -5.830 -12.577 730 1HG GLU 4 1HG GLU 4 -7.431 -6.275 -10.412 731 2HG GLU 4 2HG GLU 4 -8.383 -4.807 -10.434 732 H LYS 5 H LYS 5 -5.343 -2.474 -13.285 733 HA LYS 5 HA LYS 5 -3.106 -3.959 -14.367 734 1HB LYS 5 1HB LYS 5 -3.792 -1.037 -14.797 735 2HB LYS 5 2HB LYS 5 -2.732 -2.053 -15.773 736 1HG LYS 5 1HG LYS 5 -5.750 -2.372 -15.435 737 2HG LYS 5 2HG LYS 5 -4.884 -1.808 -16.865 738 1HD LYS 5 1HD LYS 5 -3.754 -4.060 -17.015 739 2HD LYS 5 2HD LYS 5 -4.764 -4.618 -15.659 740 1HE LYS 5 1HE LYS 5 -6.809 -4.136 -16.944 741 2HE LYS 5 2HE LYS 5 -5.828 -3.578 -18.316 742 1HZ LYS 5 1HZ LYS 5 -5.801 -6.286 -17.182 743 2HZ LYS 5 2HZ LYS 5 -6.528 -5.832 -18.589 744 3HZ LYS 5 3HZ LYS 5 -4.887 -5.767 -18.452 745 H ALA 6 H ALA 6 -3.394 -1.028 -12.361 746 HA ALA 6 HA ALA 6 -0.638 -0.567 -11.876 747 1HB ALA 6 1HB ALA 6 -1.462 0.608 -9.831 748 2HB ALA 6 2HB ALA 6 -2.405 1.021 -11.274 749 3HB ALA 6 3HB ALA 6 -3.057 -0.108 -10.072 750 H VAL 7 H VAL 7 -2.960 -2.611 -10.120 751 HA VAL 7 HA VAL 7 -1.233 -3.559 -8.093 752 HB VAL 7 HB VAL 7 -3.823 -4.480 -9.316 753 1HG1 VAL 7 1HG1 VAL 7 -3.077 -6.585 -8.879 754 2HG1 VAL 7 2HG1 VAL 7 -2.082 -6.124 -7.502 755 3HG1 VAL 7 3HG1 VAL 7 -3.857 -6.148 -7.345 756 1HG2 VAL 7 1HG2 VAL 7 -4.681 -3.932 -7.085 757 2HG2 VAL 7 2HG2 VAL 7 -3.041 -3.535 -6.532 758 3HG2 VAL 7 3HG2 VAL 7 -3.812 -2.551 -7.768 759 H VAL 8 H VAL 8 -2.077 -5.208 -11.264 760 HA VAL 8 HA VAL 8 -0.259 -7.332 -10.648 761 HB VAL 8 HB VAL 8 -0.330 -8.011 -12.949 762 1HG1 VAL 8 1HG1 VAL 8 -2.730 -8.512 -13.063 763 2HG1 VAL 8 2HG1 VAL 8 -2.102 -8.701 -11.418 764 3HG1 VAL 8 3HG1 VAL 8 -3.069 -7.273 -11.839 765 1HG2 VAL 8 1HG2 VAL 8 -1.716 -6.885 -14.625 766 2HG2 VAL 8 2HG2 VAL 8 -2.013 -5.565 -13.491 767 3HG2 VAL 8 3HG2 VAL 8 -0.379 -5.838 -14.122 768 H ALA 9 H ALA 9 0.261 -4.152 -12.219 769 HA ALA 9 HA ALA 9 2.972 -4.609 -12.926 770 1HB ALA 9 1HB ALA 9 1.703 -2.608 -13.607 771 2HB ALA 9 2HB ALA 9 1.765 -1.993 -11.944 772 3HB ALA 9 3HB ALA 9 3.262 -2.211 -12.859 773 H LEU 10 H LEU 10 1.631 -3.359 -9.769 774 HA LEU 10 HA LEU 10 4.130 -3.182 -8.444 775 1HB LEU 10 1HB LEU 10 1.262 -3.442 -7.583 776 2HB LEU 10 2HB LEU 10 2.481 -3.938 -6.414 777 HG LEU 10 HG LEU 10 3.621 -1.750 -6.619 778 1HD1 LEU 10 1HD1 LEU 10 2.719 -1.092 -8.888 779 2HD1 LEU 10 2HD1 LEU 10 1.113 -0.925 -8.142 780 3HD1 LEU 10 3HD1 LEU 10 2.441 0.139 -7.643 781 1HD2 LEU 10 1HD2 LEU 10 0.687 -1.727 -5.806 782 2HD2 LEU 10 2HD2 LEU 10 2.068 -2.212 -4.794 783 3HD2 LEU 10 3HD2 LEU 10 1.898 -0.526 -5.315 784 H ILE 11 H ILE 11 1.829 -5.944 -8.523 785 HA ILE 11 HA ILE 11 3.380 -7.649 -6.873 786 HB ILE 11 HB ILE 11 1.315 -8.208 -9.023 787 1HG1 ILE 11 1HG1 ILE 11 1.303 -8.298 -5.967 788 2HG1 ILE 11 2HG1 ILE 11 0.524 -7.088 -6.989 789 1HG2 ILE 11 1HG2 ILE 11 1.198 -10.538 -8.276 790 2HG2 ILE 11 2HG2 ILE 11 2.790 -10.209 -8.916 791 3HG2 ILE 11 3HG2 ILE 11 2.550 -10.273 -7.161 792 1HD1 ILE 11 1HD1 ILE 11 -0.921 -8.952 -7.948 793 2HD1 ILE 11 2HD1 ILE 11 -0.269 -10.015 -6.673 794 3HD1 ILE 11 3HD1 ILE 11 -1.176 -8.568 -6.235 795 H ASP 12 H ASP 12 3.241 -7.444 -10.467 796 HA ASP 12 HA ASP 12 5.067 -9.558 -10.885 797 1HB ASP 12 1HB ASP 12 3.488 -8.749 -12.596 798 2HB ASP 12 2HB ASP 12 4.377 -7.224 -12.722 799 H VAL 13 H VAL 13 5.599 -5.992 -10.985 800 HA VAL 13 HA VAL 13 8.332 -6.095 -11.719 801 HB VAL 13 HB VAL 13 6.716 -4.017 -10.182 802 1HG1 VAL 13 1HG1 VAL 13 9.508 -3.767 -11.361 803 2HG1 VAL 13 2HG1 VAL 13 8.513 -2.415 -10.786 804 3HG1 VAL 13 3HG1 VAL 13 9.076 -3.633 -9.635 805 1HG2 VAL 13 1HG2 VAL 13 6.106 -4.521 -12.621 806 2HG2 VAL 13 2HG2 VAL 13 6.685 -2.869 -12.355 807 3HG2 VAL 13 3HG2 VAL 13 7.764 -4.091 -13.059 808 H PHE 14 H PHE 14 6.826 -5.796 -8.457 809 HA PHE 14 HA PHE 14 9.166 -5.929 -6.893 810 1HB PHE 14 1HB PHE 14 6.969 -5.492 -5.937 811 2HB PHE 14 2HB PHE 14 6.382 -7.075 -6.432 812 HD1 PHE 14 HD1 PHE 14 7.215 -9.176 -5.352 813 HD2 PHE 14 HD2 PHE 14 8.310 -5.260 -3.911 814 HE1 PHE 14 HE1 PHE 14 8.092 -10.162 -3.304 815 HE2 PHE 14 HE2 PHE 14 8.974 -6.273 -1.733 816 HZ PHE 14 HZ PHE 14 8.826 -8.718 -1.406 817 H HIS 15 H HIS 15 7.105 -8.632 -8.135 818 HA HIS 15 HA HIS 15 8.680 -10.609 -6.917 819 1HB HIS 15 1HB HIS 15 6.310 -10.803 -7.786 820 2HB HIS 15 2HB HIS 15 7.009 -11.125 -9.381 821 HD1 HIS 15 HD1 HIS 15 9.458 -12.943 -7.953 822 HD2 HIS 15 HD2 HIS 15 5.295 -13.209 -7.396 823 HE1 HIS 15 HE1 HIS 15 8.991 -15.266 -6.984 824 H GLN 16 H GLN 16 9.118 -8.978 -10.079 825 HA GLN 16 HA GLN 16 11.005 -10.909 -11.090 826 1HB GLN 16 1HB GLN 16 10.998 -7.904 -11.655 827 2HB GLN 16 2HB GLN 16 11.833 -9.171 -12.553 828 1HG GLN 16 1HG GLN 16 8.929 -8.447 -12.587 829 2HG GLN 16 2HG GLN 16 10.030 -8.771 -13.907 830 1HE2 GLN 16 1HE2 GLN 16 7.837 -10.189 -11.577 831 2HE2 GLN 16 2HE2 GLN 16 7.854 -11.819 -12.259 832 H TYR 17 H TYR 17 11.503 -7.865 -9.232 833 HA TYR 17 HA TYR 17 14.345 -8.170 -8.985 834 1HB TYR 17 1HB TYR 17 12.317 -6.778 -7.197 835 2HB TYR 17 2HB TYR 17 14.061 -6.685 -6.978 836 HD1 TYR 17 HD1 TYR 17 11.264 -5.208 -8.652 837 HD2 TYR 17 HD2 TYR 17 15.524 -5.766 -8.837 838 HE1 TYR 17 HE1 TYR 17 11.445 -3.299 -10.220 839 HE2 TYR 17 HE2 TYR 17 15.699 -3.830 -10.399 840 HH TYR 17 HH TYR 17 12.835 -1.946 -11.428 841 H SER 18 H SER 18 11.718 -9.007 -6.694 842 HA SER 18 HA SER 18 13.259 -10.244 -4.706 843 1HB SER 18 1HB SER 18 10.460 -11.042 -5.587 844 2HB SER 18 2HB SER 18 11.199 -11.268 -3.999 845 HG SER 18 HG SER 18 10.403 -8.860 -5.261 846 H GLY 19 H GLY 19 12.039 -11.600 -7.775 847 1HA GLY 19 1HA GLY 19 12.495 -14.352 -7.240 848 2HA GLY 19 2HA GLY 19 12.371 -13.565 -8.826 849 H ARG 20 H ARG 20 14.663 -11.666 -8.199 850 HA ARG 20 HA ARG 20 16.755 -13.425 -9.161 851 1HB ARG 20 1HB ARG 20 17.132 -10.605 -8.120 852 2HB ARG 20 2HB ARG 20 18.147 -11.554 -9.205 853 1HG ARG 20 1HG ARG 20 15.653 -11.481 -10.531 854 2HG ARG 20 2HG ARG 20 15.738 -9.917 -9.732 855 1HD ARG 20 1HD ARG 20 17.708 -11.107 -11.711 856 2HD ARG 20 2HD ARG 20 16.742 -9.651 -11.934 857 HE ARG 20 HE ARG 20 19.284 -9.971 -10.534 858 1HH1 ARG 20 1HH1 ARG 20 16.424 -7.894 -10.728 859 2HH1 ARG 20 2HH1 ARG 20 17.258 -6.497 -10.074 860 1HH2 ARG 20 1HH2 ARG 20 20.272 -8.238 -9.490 861 2HH2 ARG 20 2HH2 ARG 20 19.424 -6.740 -9.228 862 H GLU 21 H GLU 21 16.194 -11.620 -6.084 863 HA GLU 21 HA GLU 21 17.717 -13.705 -4.645 864 1HB GLU 21 1HB GLU 21 18.478 -10.790 -4.346 865 2HB GLU 21 2HB GLU 21 19.169 -12.180 -3.506 866 1HG GLU 21 1HG GLU 21 20.036 -13.036 -5.681 867 2HG GLU 21 2HG GLU 21 19.434 -11.569 -6.477 868 H GLY 22 H GLY 22 15.908 -14.339 -3.511 869 1HA GLY 22 1HA GLY 22 15.546 -13.424 -0.991 870 2HA GLY 22 2HA GLY 22 14.356 -12.480 -1.912 871 H ASP 23 H ASP 23 13.413 -14.257 -0.036 872 HA ASP 23 HA ASP 23 12.800 -16.847 -1.246 873 1HB ASP 23 1HB ASP 23 13.115 -16.577 1.190 874 2HB ASP 23 2HB ASP 23 11.719 -15.491 1.244 875 H LYS 24 H LYS 24 12.102 -15.506 -3.179 876 HA LYS 24 HA LYS 24 10.544 -15.145 -4.734 877 1HB LYS 24 1HB LYS 24 8.598 -16.516 -2.843 878 2HB LYS 24 2HB LYS 24 8.343 -16.175 -4.555 879 1HG LYS 24 1HG LYS 24 10.383 -17.628 -5.061 880 2HG LYS 24 2HG LYS 24 10.457 -17.999 -3.331 881 1HD LYS 24 1HD LYS 24 9.281 -19.820 -4.229 882 2HD LYS 24 2HD LYS 24 8.022 -18.800 -3.520 883 1HE LYS 24 1HE LYS 24 7.642 -17.836 -5.872 884 2HE LYS 24 2HE LYS 24 8.798 -19.025 -6.476 885 1HZ LYS 24 1HZ LYS 24 6.518 -19.740 -6.670 886 2HZ LYS 24 2HZ LYS 24 7.364 -20.745 -5.674 887 3HZ LYS 24 3HZ LYS 24 6.310 -19.649 -5.041 888 H HIS 25 H HIS 25 8.877 -14.524 -1.650 889 HA HIS 25 HA HIS 25 7.554 -12.114 -2.804 890 1HB HIS 25 1HB HIS 25 5.967 -12.362 -0.979 891 2HB HIS 25 2HB HIS 25 6.104 -13.734 -2.070 892 HD1 HIS 25 HD1 HIS 25 6.684 -16.063 -1.061 893 HD2 HIS 25 HD2 HIS 25 6.876 -12.806 1.603 894 HE1 HIS 25 HE1 HIS 25 6.925 -17.045 1.286 895 H LYS 26 H LYS 26 10.393 -12.189 -1.810 896 HA LYS 26 HA LYS 26 10.186 -9.986 0.135 897 1HB LYS 26 1HB LYS 26 12.121 -12.251 0.590 898 2HB LYS 26 2HB LYS 26 11.685 -10.932 1.694 899 1HG LYS 26 1HG LYS 26 9.362 -11.986 1.844 900 2HG LYS 26 2HG LYS 26 9.996 -13.346 0.894 901 1HD LYS 26 1HD LYS 26 11.798 -13.618 2.678 902 2HD LYS 26 2HD LYS 26 10.916 -12.421 3.645 903 1HE LYS 26 1HE LYS 26 8.891 -13.903 3.571 904 2HE LYS 26 2HE LYS 26 9.801 -15.082 2.624 905 1HZ LYS 26 1HZ LYS 26 9.817 -15.684 4.877 906 2HZ LYS 26 2HZ LYS 26 11.350 -15.204 4.496 907 3HZ LYS 26 3HZ LYS 26 10.357 -14.210 5.365 908 H LEU 27 H LEU 27 11.894 -8.512 0.063 909 HA LEU 27 HA LEU 27 13.799 -8.764 -2.247 910 1HB LEU 27 1HB LEU 27 12.707 -6.402 -0.675 911 2HB LEU 27 2HB LEU 27 13.978 -6.256 -1.881 912 HG LEU 27 HG LEU 27 11.217 -7.331 -2.530 913 1HD1 LEU 27 1HD1 LEU 27 12.360 -4.513 -2.770 914 2HD1 LEU 27 2HD1 LEU 27 10.772 -5.014 -3.378 915 3HD1 LEU 27 3HD1 LEU 27 11.088 -5.005 -1.630 916 1HD2 LEU 27 1HD2 LEU 27 13.358 -6.086 -4.317 917 2HD2 LEU 27 2HD2 LEU 27 13.002 -7.828 -4.223 918 3HD2 LEU 27 3HD2 LEU 27 11.775 -6.697 -4.828 919 H LYS 28 H LYS 28 15.929 -9.127 -1.705 920 HA LYS 28 HA LYS 28 17.051 -8.722 0.964 921 1HB LYS 28 1HB LYS 28 18.267 -9.024 -1.811 922 2HB LYS 28 2HB LYS 28 19.226 -9.039 -0.331 923 1HG LYS 28 1HG LYS 28 16.952 -11.011 -0.684 924 2HG LYS 28 2HG LYS 28 18.497 -11.224 -1.521 925 1HD LYS 28 1HD LYS 28 19.716 -11.210 0.631 926 2HD LYS 28 2HD LYS 28 18.208 -10.893 1.503 927 1HE LYS 28 1HE LYS 28 18.759 -13.261 1.674 928 2HE LYS 28 2HE LYS 28 17.290 -13.067 0.707 929 1HZ LYS 28 1HZ LYS 28 18.816 -14.626 -0.253 930 2HZ LYS 28 2HZ LYS 28 18.599 -13.340 -1.257 931 3HZ LYS 28 3HZ LYS 28 19.988 -13.475 -0.377 932 H LYS 29 H LYS 29 18.945 -7.058 1.265 933 HA LYS 29 HA LYS 29 18.104 -4.452 0.519 934 1HB LYS 29 1HB LYS 29 19.933 -3.562 1.509 935 2HB LYS 29 2HB LYS 29 19.675 -5.000 2.460 936 1HG LYS 29 1HG LYS 29 21.770 -4.618 0.242 937 2HG LYS 29 2HG LYS 29 22.042 -4.474 1.972 938 1HD LYS 29 1HD LYS 29 21.661 -6.822 2.354 939 2HD LYS 29 2HD LYS 29 21.092 -7.074 0.695 940 1HE LYS 29 1HE LYS 29 23.413 -7.854 1.002 941 2HE LYS 29 2HE LYS 29 23.271 -6.599 -0.240 942 1HZ LYS 29 1HZ LYS 29 24.111 -6.083 2.526 943 2HZ LYS 29 2HZ LYS 29 25.137 -6.302 1.255 944 3HZ LYS 29 3HZ LYS 29 24.118 -5.014 1.262 945 H SER 30 H SER 30 20.186 -6.678 -1.314 946 HA SER 30 HA SER 30 21.178 -4.761 -3.170 947 1HB SER 30 1HB SER 30 21.138 -6.946 -4.632 948 2HB SER 30 2HB SER 30 22.155 -6.928 -3.178 949 HG SER 30 HG SER 30 20.671 -8.796 -3.460 950 H GLU 31 H GLU 31 18.279 -6.912 -3.183 951 HA GLU 31 HA GLU 31 17.339 -5.908 -5.701 952 1HB GLU 31 1HB GLU 31 15.837 -7.416 -3.513 953 2HB GLU 31 2HB GLU 31 15.298 -7.192 -5.181 954 1HG GLU 31 1HG GLU 31 17.774 -8.701 -4.282 955 2HG GLU 31 2HG GLU 31 16.294 -9.416 -4.938 956 H LEU 32 H LEU 32 16.421 -5.221 -2.347 957 HA LEU 32 HA LEU 32 14.345 -3.400 -2.806 958 1HB LEU 32 1HB LEU 32 14.929 -4.469 -0.651 959 2HB LEU 32 2HB LEU 32 16.379 -3.459 -0.540 960 HG LEU 32 HG LEU 32 14.437 -2.818 0.894 961 1HD1 LEU 32 1HD1 LEU 32 14.685 -0.465 0.705 962 2HD1 LEU 32 2HD1 LEU 32 16.237 -1.242 0.364 963 3HD1 LEU 32 3HD1 LEU 32 15.265 -0.572 -0.961 964 1HD2 LEU 32 1HD2 LEU 32 12.611 -3.266 -0.669 965 2HD2 LEU 32 2HD2 LEU 32 12.538 -1.636 0.022 966 3HD2 LEU 32 3HD2 LEU 32 13.104 -1.859 -1.640 967 H LYS 33 H LYS 33 17.897 -2.789 -2.412 968 HA LYS 33 HA LYS 33 17.792 -0.002 -2.578 969 1HB LYS 33 1HB LYS 33 19.787 -1.262 -1.945 970 2HB LYS 33 2HB LYS 33 19.918 -1.974 -3.529 971 1HG LYS 33 1HG LYS 33 20.392 0.340 -4.458 972 2HG LYS 33 2HG LYS 33 20.158 1.003 -2.827 973 1HD LYS 33 1HD LYS 33 22.041 -0.512 -2.029 974 2HD LYS 33 2HD LYS 33 22.284 -1.000 -3.710 975 1HE LYS 33 1HE LYS 33 23.907 0.694 -3.186 976 2HE LYS 33 2HE LYS 33 22.736 1.429 -4.292 977 1HZ LYS 33 1HZ LYS 33 21.747 2.541 -2.443 978 2HZ LYS 33 2HZ LYS 33 22.666 1.699 -1.364 979 3HZ LYS 33 3HZ LYS 33 23.364 2.796 -2.362 980 H GLU 34 H GLU 34 18.397 -2.314 -5.315 981 HA GLU 34 HA GLU 34 18.352 -0.136 -7.198 982 1HB GLU 34 1HB GLU 34 18.378 -1.855 -8.950 983 2HB GLU 34 2HB GLU 34 19.551 -2.244 -7.681 984 1HG GLU 34 1HG GLU 34 17.929 -3.876 -6.715 985 2HG GLU 34 2HG GLU 34 16.787 -3.515 -8.009 986 H LEU 35 H LEU 35 15.840 -2.410 -6.078 987 HA LEU 35 HA LEU 35 13.756 -1.744 -7.832 988 1HB LEU 35 1HB LEU 35 13.565 -3.558 -6.353 989 2HB LEU 35 2HB LEU 35 13.890 -2.577 -4.934 990 HG LEU 35 HG LEU 35 11.598 -3.485 -5.197 991 1HD1 LEU 35 1HD1 LEU 35 12.242 -1.546 -3.696 992 2HD1 LEU 35 2HD1 LEU 35 11.530 -0.469 -4.918 993 3HD1 LEU 35 3HD1 LEU 35 10.538 -1.685 -4.120 994 1HD2 LEU 35 1HD2 LEU 35 9.977 -2.478 -6.598 995 2HD2 LEU 35 2HD2 LEU 35 11.103 -1.214 -7.131 996 3HD2 LEU 35 3HD2 LEU 35 11.339 -2.896 -7.642 997 H ILE 36 H ILE 36 14.591 -0.118 -4.668 998 HA ILE 36 HA ILE 36 12.550 1.848 -5.089 999 HB ILE 36 HB ILE 36 15.025 2.196 -3.380 1000 1HG1 ILE 36 1HG1 ILE 36 13.656 0.137 -2.754 1001 2HG1 ILE 36 2HG1 ILE 36 13.903 1.350 -1.504 1002 1HG2 ILE 36 1HG2 ILE 36 12.287 3.546 -3.454 1003 2HG2 ILE 36 2HG2 ILE 36 13.468 3.784 -2.156 1004 3HG2 ILE 36 3HG2 ILE 36 13.838 4.293 -3.822 1005 1HD1 ILE 36 1HD1 ILE 36 11.656 2.108 -1.716 1006 2HD1 ILE 36 2HD1 ILE 36 11.353 1.094 -3.146 1007 3HD1 ILE 36 3HD1 ILE 36 11.636 0.348 -1.555 1008 H ASN 37 H ASN 37 16.108 1.958 -5.701 1009 HA ASN 37 HA ASN 37 16.205 4.670 -6.552 1010 1HB ASN 37 1HB ASN 37 17.879 2.242 -7.313 1011 2HB ASN 37 2HB ASN 37 18.151 3.835 -8.043 1012 1HD2 ASN 37 2HD2 ASN 37 18.108 2.141 -4.901 1013 2HD2 ASN 37 1HD2 ASN 37 19.247 3.242 -4.144 1014 H ASN 38 H ASN 38 15.726 1.721 -8.501 1015 HA ASN 38 HA ASN 38 15.578 3.124 -10.991 1016 1HB ASN 38 1HB ASN 38 16.292 0.748 -10.678 1017 2HB ASN 38 2HB ASN 38 14.611 0.323 -10.272 1018 1HD2 ASN 38 1HD2 ASN 38 14.866 -1.191 -12.085 1019 2HD2 ASN 38 2HD2 ASN 38 14.665 -0.594 -13.732 1020 H GLU 39 H GLU 39 13.049 1.649 -8.815 1021 HA GLU 39 HA GLU 39 11.019 2.438 -10.728 1022 1HB GLU 39 1HB GLU 39 10.684 1.313 -7.947 1023 2HB GLU 39 2HB GLU 39 9.430 1.532 -9.171 1024 1HG GLU 39 1HG GLU 39 11.841 -0.320 -9.409 1025 2HG GLU 39 2HG GLU 39 10.164 -0.802 -9.134 1026 H LEU 40 H LEU 40 12.053 3.732 -7.485 1027 HA LEU 40 HA LEU 40 10.026 5.903 -7.787 1028 1HB LEU 40 1HB LEU 40 11.801 5.057 -5.481 1029 2HB LEU 40 2HB LEU 40 11.037 6.636 -5.544 1030 HG LEU 40 HG LEU 40 8.814 5.617 -5.809 1031 1HD1 LEU 40 1HD1 LEU 40 8.548 3.250 -5.047 1032 2HD1 LEU 40 2HD1 LEU 40 9.362 3.367 -6.609 1033 3HD1 LEU 40 3HD1 LEU 40 10.312 3.048 -5.129 1034 1HD2 LEU 40 1HD2 LEU 40 9.467 6.439 -3.671 1035 2HD2 LEU 40 2HD2 LEU 40 8.704 4.869 -3.396 1036 3HD2 LEU 40 3HD2 LEU 40 10.472 5.015 -3.332 1037 H SER 41 H SER 41 11.801 5.879 -9.863 1038 HA SER 41 HA SER 41 14.305 7.088 -9.524 1039 1HB SER 41 1HB SER 41 13.911 7.637 -12.025 1040 2HB SER 41 2HB SER 41 13.764 5.939 -11.555 1041 HG SER 41 HG SER 41 11.797 6.078 -12.374 1042 H HIS 42 H HIS 42 11.131 8.507 -10.045 1043 HA HIS 42 HA HIS 42 12.225 11.282 -10.134 1044 1HB HIS 42 1HB HIS 42 9.386 10.237 -10.516 1045 2HB HIS 42 2HB HIS 42 9.936 11.898 -10.724 1046 HD1 HIS 42 HD1 HIS 42 11.010 8.453 -12.288 1047 HD2 HIS 42 HD2 HIS 42 10.304 12.510 -13.210 1048 HE1 HIS 42 HE1 HIS 42 11.353 8.710 -14.792 1049 H PHE 43 H PHE 43 10.124 9.108 -8.299 1050 HA PHE 43 HA PHE 43 9.108 10.954 -6.430 1051 1HB PHE 43 1HB PHE 43 9.335 7.978 -6.613 1052 2HB PHE 43 2HB PHE 43 9.005 8.640 -5.033 1053 HD1 PHE 43 HD1 PHE 43 7.797 9.615 -8.509 1054 HD2 PHE 43 HD2 PHE 43 6.747 8.477 -4.488 1055 HE1 PHE 43 HE1 PHE 43 5.410 9.627 -9.128 1056 HE2 PHE 43 HE2 PHE 43 4.354 8.507 -5.100 1057 HZ PHE 43 HZ PHE 43 3.686 8.978 -7.471 1058 H LEU 44 H LEU 44 12.029 8.810 -6.031 1059 HA LEU 44 HA LEU 44 12.923 10.676 -3.846 1060 1HB LEU 44 1HB LEU 44 12.977 7.662 -4.027 1061 2HB LEU 44 2HB LEU 44 14.349 8.502 -3.311 1062 HG LEU 44 HG LEU 44 12.963 9.605 -1.668 1063 1HD1 LEU 44 1HD1 LEU 44 10.667 8.180 -3.027 1064 2HD1 LEU 44 2HD1 LEU 44 10.578 8.700 -1.332 1065 3HD1 LEU 44 3HD1 LEU 44 10.817 9.899 -2.598 1066 1HD2 LEU 44 1HD2 LEU 44 12.390 7.585 -0.336 1067 2HD2 LEU 44 2HD2 LEU 44 12.533 6.590 -1.800 1068 3HD2 LEU 44 3HD2 LEU 44 13.958 7.431 -1.141 1069 H GLU 45 H GLU 45 15.204 11.085 -3.857 1070 HA GLU 45 HA GLU 45 16.398 10.893 -6.575 1071 1HB GLU 45 1HB GLU 45 16.786 12.621 -4.272 1072 2HB GLU 45 2HB GLU 45 18.324 11.860 -4.698 1073 1HG GLU 45 1HG GLU 45 16.476 13.366 -6.605 1074 2HG GLU 45 2HG GLU 45 17.911 14.044 -5.826 1075 H GLU 46 H GLU 46 18.766 9.986 -6.560 1076 HA GLU 46 HA GLU 46 18.358 7.251 -6.030 1077 1HB GLU 46 1HB GLU 46 20.383 6.826 -7.092 1078 2HB GLU 46 2HB GLU 46 19.796 8.313 -7.844 1079 1HG GLU 46 1HG GLU 46 21.238 9.552 -6.111 1080 2HG GLU 46 2HG GLU 46 21.873 7.960 -5.676 1081 H ILE 47 H ILE 47 18.946 5.918 -4.546 1082 HA ILE 47 HA ILE 47 19.446 7.129 -1.891 1083 HB ILE 47 HB ILE 47 18.526 4.274 -2.314 1084 1HG1 ILE 47 1HG1 ILE 47 17.015 6.884 -2.551 1085 2HG1 ILE 47 2HG1 ILE 47 16.992 5.496 -3.661 1086 1HG2 ILE 47 1HG2 ILE 47 17.985 6.355 -0.145 1087 2HG2 ILE 47 2HG2 ILE 47 17.597 4.637 -0.083 1088 3HG2 ILE 47 3HG2 ILE 47 19.290 5.156 -0.042 1089 1HD1 ILE 47 1HD1 ILE 47 15.815 4.173 -1.935 1090 2HD1 ILE 47 2HD1 ILE 47 15.727 5.621 -0.896 1091 3HD1 ILE 47 3HD1 ILE 47 14.946 5.642 -2.478 1092 H LYS 48 H LYS 48 21.584 7.485 -2.627 1093 HA LYS 48 HA LYS 48 23.570 5.776 -3.329 1094 1HB LYS 48 1HB LYS 48 23.740 8.230 -3.080 1095 2HB LYS 48 2HB LYS 48 23.695 8.074 -1.323 1096 1HG LYS 48 1HG LYS 48 25.935 8.504 -2.059 1097 2HG LYS 48 2HG LYS 48 25.873 6.886 -1.354 1098 1HD LYS 48 1HD LYS 48 25.896 5.846 -3.560 1099 2HD LYS 48 2HD LYS 48 25.686 7.423 -4.360 1100 1HE LYS 48 1HE LYS 48 27.852 8.185 -3.470 1101 2HE LYS 48 2HE LYS 48 28.067 6.643 -2.617 1102 1HZ LYS 48 1HZ LYS 48 29.256 6.689 -4.681 1103 2HZ LYS 48 2HZ LYS 48 28.072 5.544 -4.742 1104 3HZ LYS 48 3HZ LYS 48 27.875 6.978 -5.532 1105 H GLU 49 H GLU 49 22.600 6.432 0.048 1106 HA GLU 49 HA GLU 49 24.680 4.740 1.140 1107 1HB GLU 49 1HB GLU 49 22.292 6.052 2.480 1108 2HB GLU 49 2HB GLU 49 23.694 5.352 3.300 1109 1HG GLU 49 1HG GLU 49 23.786 7.757 1.409 1110 2HG GLU 49 2HG GLU 49 23.808 7.823 3.171 1111 H GLN 50 H GLN 50 24.325 2.625 0.376 1112 HA GLN 50 HA GLN 50 22.189 0.913 0.528 1113 1HB GLN 50 1HB GLN 50 24.474 0.206 -0.088 1114 2HB GLN 50 2HB GLN 50 24.964 0.328 1.608 1115 1HG GLN 50 1HG GLN 50 23.141 -1.424 2.141 1116 2HG GLN 50 2HG GLN 50 22.894 -1.577 0.398 1117 1HE2 GLN 50 1HE2 GLN 50 25.719 -1.482 2.711 1118 2HE2 GLN 50 2HE2 GLN 50 26.478 -2.907 2.017 1119 H GLU 51 H GLU 51 24.173 1.963 3.310 1120 HA GLU 51 HA GLU 51 22.970 0.360 5.258 1121 1HB GLU 51 1HB GLU 51 24.054 3.164 5.743 1122 2HB GLU 51 2HB GLU 51 23.958 1.817 6.883 1123 1HG GLU 51 1HG GLU 51 25.823 2.092 4.484 1124 2HG GLU 51 2HG GLU 51 26.242 1.960 6.186 1125 H VAL 52 H VAL 52 21.783 3.426 3.872 1126 HA VAL 52 HA VAL 52 19.780 3.785 5.962 1127 HB VAL 52 HB VAL 52 20.061 5.059 3.208 1128 1HG1 VAL 52 1HG1 VAL 52 17.707 5.099 3.874 1129 2HG1 VAL 52 2HG1 VAL 52 18.149 5.635 5.510 1130 3HG1 VAL 52 3HG1 VAL 52 18.399 6.703 4.116 1131 1HG2 VAL 52 1HG2 VAL 52 21.858 5.657 4.872 1132 2HG2 VAL 52 2HG2 VAL 52 20.801 7.028 4.498 1133 3HG2 VAL 52 3HG2 VAL 52 20.599 6.137 6.020 1134 H VAL 53 H VAL 53 19.861 2.390 2.619 1135 HA VAL 53 HA VAL 53 17.096 1.831 2.549 1136 HB VAL 53 HB VAL 53 17.354 0.819 0.666 1137 1HG1 VAL 53 1HG1 VAL 53 20.189 1.852 0.698 1138 2HG1 VAL 53 2HG1 VAL 53 19.124 1.621 -0.697 1139 3HG1 VAL 53 3HG1 VAL 53 18.742 2.852 0.517 1140 1HG2 VAL 53 1HG2 VAL 53 18.894 -0.810 -0.084 1141 2HG2 VAL 53 2HG2 VAL 53 19.945 -0.615 1.319 1142 3HG2 VAL 53 3HG2 VAL 53 18.323 -1.324 1.484 1143 H ASP 54 H ASP 54 19.875 -0.101 3.645 1144 HA ASP 54 HA ASP 54 18.601 -2.408 4.550 1145 1HB ASP 54 1HB ASP 54 21.039 -2.105 4.365 1146 2HB ASP 54 2HB ASP 54 21.016 -1.051 5.789 1147 H LYS 55 H LYS 55 19.290 0.644 6.394 1148 HA LYS 55 HA LYS 55 18.116 -0.221 8.803 1149 1HB LYS 55 1HB LYS 55 19.589 1.760 8.535 1150 2HB LYS 55 2HB LYS 55 18.263 2.628 7.737 1151 1HG LYS 55 1HG LYS 55 16.882 2.364 9.814 1152 2HG LYS 55 2HG LYS 55 18.232 1.500 10.578 1153 1HD LYS 55 1HD LYS 55 19.660 3.517 10.336 1154 2HD LYS 55 2HD LYS 55 18.322 4.372 9.536 1155 1HE LYS 55 1HE LYS 55 16.927 4.107 11.583 1156 2HE LYS 55 2HE LYS 55 18.265 3.264 12.386 1157 1HZ LYS 55 1HZ LYS 55 19.570 5.253 12.151 1158 2HZ LYS 55 2HZ LYS 55 18.321 6.035 11.412 1159 3HZ LYS 55 3HZ LYS 55 18.181 5.561 12.983 1160 H VAL 56 H VAL 56 16.574 1.680 6.093 1161 HA VAL 56 HA VAL 56 14.099 1.810 7.546 1162 HB VAL 56 HB VAL 56 13.011 2.611 5.587 1163 1HG1 VAL 56 1HG1 VAL 56 15.778 3.850 5.906 1164 2HG1 VAL 56 2HG1 VAL 56 14.327 4.640 5.263 1165 3HG1 VAL 56 3HG1 VAL 56 14.380 4.138 6.960 1166 1HG2 VAL 56 1HG2 VAL 56 14.198 2.980 3.458 1167 2HG2 VAL 56 2HG2 VAL 56 15.562 2.037 4.073 1168 3HG2 VAL 56 3HG2 VAL 56 13.992 1.256 3.792 1169 H MET 57 H MET 57 15.203 -0.509 4.977 1170 HA MET 57 HA MET 57 12.710 -1.902 5.009 1171 1HB MET 57 1HB MET 57 13.727 -3.620 3.797 1172 2HB MET 57 2HB MET 57 14.425 -2.098 3.229 1173 1HG MET 57 1HG MET 57 16.365 -2.540 4.753 1174 2HG MET 57 2HG MET 57 15.727 -4.153 5.072 1175 1HE MET 57 1HE MET 57 16.058 -5.852 1.617 1176 2HE MET 57 2HE MET 57 15.425 -5.964 3.271 1177 3HE MET 57 3HE MET 57 14.643 -4.902 2.068 1178 H GLU 58 H GLU 58 15.686 -2.322 7.010 1179 HA GLU 58 HA GLU 58 14.834 -4.533 8.530 1180 1HB GLU 58 1HB GLU 58 17.079 -3.641 8.687 1181 2HB GLU 58 2HB GLU 58 16.491 -2.120 9.377 1182 1HG GLU 58 1HG GLU 58 15.695 -3.263 11.383 1183 2HG GLU 58 2HG GLU 58 16.069 -4.836 10.666 1184 H THR 59 H THR 59 14.194 -1.039 9.032 1185 HA THR 59 HA THR 59 12.598 -1.339 11.315 1186 HB THR 59 HB THR 59 13.397 0.816 9.707 1187 HG1 THR 59 HG1 THR 59 11.775 0.753 12.011 1188 1HG2 THR 59 1HG2 THR 59 11.481 2.269 9.502 1189 2HG2 THR 59 2HG2 THR 59 11.201 0.860 8.486 1190 3HG2 THR 59 3HG2 THR 59 10.373 1.004 10.052 1191 H LEU 60 H LEU 60 11.728 -2.109 7.992 1192 HA LEU 60 HA LEU 60 8.880 -2.554 8.816 1193 1HB LEU 60 1HB LEU 60 10.064 -2.650 6.022 1194 2HB LEU 60 2HB LEU 60 8.361 -2.656 6.504 1195 HG LEU 60 HG LEU 60 10.278 -0.320 6.762 1196 1HD1 LEU 60 1HD1 LEU 60 9.486 -0.791 4.483 1197 2HD1 LEU 60 2HD1 LEU 60 7.801 -0.741 5.050 1198 3HD1 LEU 60 3HD1 LEU 60 8.807 0.723 5.116 1199 1HD2 LEU 60 1HD2 LEU 60 7.345 -0.568 7.578 1200 2HD2 LEU 60 2HD2 LEU 60 8.719 -0.298 8.672 1201 3HD2 LEU 60 3HD2 LEU 60 8.264 0.953 7.510 1202 H ASP 61 H ASP 61 11.680 -4.288 8.941 1203 HA ASP 61 HA ASP 61 10.914 -6.622 7.409 1204 1HB ASP 61 1HB ASP 61 13.235 -6.038 7.688 1205 2HB ASP 61 2HB ASP 61 13.094 -6.153 9.455 1206 H SER 62 H SER 62 8.735 -6.685 8.419 1207 HA SER 62 HA SER 62 8.066 -7.467 10.995 1208 1HB SER 62 1HB SER 62 6.095 -8.577 9.821 1209 2HB SER 62 2HB SER 62 6.410 -6.889 9.362 1210 HG SER 62 HG SER 62 6.150 -7.994 7.492 1211 H ASP 63 H ASP 63 9.069 -9.550 8.290 1212 HA ASP 63 HA ASP 63 8.842 -12.018 9.745 1213 1HB ASP 63 1HB ASP 63 10.196 -11.196 7.151 1214 2HB ASP 63 2HB ASP 63 10.443 -12.803 7.831 1215 H GLY 64 H GLY 64 11.216 -9.548 10.134 1216 1HA GLY 64 1HA GLY 64 13.286 -9.524 11.110 1217 2HA GLY 64 2HA GLY 64 12.768 -10.973 11.978 1218 H ASP 65 H ASP 65 13.208 -10.590 8.441 1219 HA ASP 65 HA ASP 65 15.148 -12.874 8.479 1220 1HB ASP 65 1HB ASP 65 12.816 -13.332 7.656 1221 2HB ASP 65 2HB ASP 65 13.058 -12.117 6.389 1222 H GLY 66 H GLY 66 15.244 -9.671 8.323 1223 1HA GLY 66 1HA GLY 66 16.636 -8.157 7.389 1224 2HA GLY 66 2HA GLY 66 17.436 -9.413 6.427 1225 H GLU 67 H GLU 67 15.868 -10.421 4.783 1226 HA GLU 67 HA GLU 67 15.254 -8.454 2.875 1227 1HB GLU 67 1HB GLU 67 14.304 -10.341 1.529 1228 2HB GLU 67 2HB GLU 67 15.909 -10.649 2.200 1229 1HG GLU 67 1HG GLU 67 14.711 -11.902 4.118 1230 2HG GLU 67 2HG GLU 67 13.261 -11.797 3.146 1231 H CYS 68 H CYS 68 13.381 -7.423 2.244 1232 HA CYS 68 HA CYS 68 11.305 -7.389 4.375 1233 1HB CYS 68 1HB CYS 68 12.589 -5.329 2.858 1234 2HB CYS 68 2HB CYS 68 10.874 -5.311 2.395 1235 HG CYS 68 HG CYS 68 12.104 -5.227 5.438 1236 H ASP 69 H ASP 69 9.218 -7.979 4.068 1237 HA ASP 69 HA ASP 69 8.731 -9.695 1.829 1238 1HB ASP 69 1HB ASP 69 6.765 -8.857 3.985 1239 2HB ASP 69 2HB ASP 69 6.714 -10.315 2.975 1240 H PHE 70 H PHE 70 6.847 -9.628 0.391 1241 HA PHE 70 HA PHE 70 6.414 -7.291 -0.994 1242 1HB PHE 70 1HB PHE 70 5.678 -9.395 -1.890 1243 2HB PHE 70 2HB PHE 70 4.458 -9.587 -0.652 1244 HD1 PHE 70 HD1 PHE 70 2.390 -8.089 -0.694 1245 HD2 PHE 70 HD2 PHE 70 5.433 -7.779 -3.704 1246 HE1 PHE 70 HE1 PHE 70 0.984 -6.519 -1.962 1247 HE2 PHE 70 HE2 PHE 70 4.002 -6.273 -5.029 1248 HZ PHE 70 HZ PHE 70 1.773 -5.610 -4.170 1249 H GLN 71 H GLN 71 4.290 -8.398 1.715 1250 HA GLN 71 HA GLN 71 2.577 -6.166 1.584 1251 1HB GLN 71 1HB GLN 71 1.886 -6.691 3.825 1252 2HB GLN 71 2HB GLN 71 2.048 -8.163 2.864 1253 1HG GLN 71 1HG GLN 71 4.220 -8.662 3.945 1254 2HG GLN 71 2HG GLN 71 4.092 -7.174 4.899 1255 1HE2 GLN 71 2HE2 GLN 71 1.929 -6.960 6.174 1256 2HE2 GLN 71 1HE2 GLN 71 1.409 -8.444 6.978 1257 H GLU 72 H GLU 72 5.832 -6.382 2.968 1258 HA GLU 72 HA GLU 72 5.555 -3.929 4.544 1259 1HB GLU 72 1HB GLU 72 8.046 -5.530 3.792 1260 2HB GLU 72 2HB GLU 72 7.935 -4.265 5.009 1261 1HG GLU 72 1HG GLU 72 6.513 -6.966 5.102 1262 2HG GLU 72 2HG GLU 72 7.887 -6.482 6.063 1263 H PHE 73 H PHE 73 7.014 -4.980 1.479 1264 HA PHE 73 HA PHE 73 7.948 -2.435 0.551 1265 1HB PHE 73 1HB PHE 73 8.582 -4.161 -0.809 1266 2HB PHE 73 2HB PHE 73 7.055 -5.007 -0.696 1267 HD1 PHE 73 HD1 PHE 73 5.194 -4.576 -2.218 1268 HD2 PHE 73 HD2 PHE 73 8.888 -2.359 -2.506 1269 HE1 PHE 73 HE1 PHE 73 4.621 -3.911 -4.529 1270 HE2 PHE 73 HE2 PHE 73 8.378 -1.855 -4.886 1271 HZ PHE 73 HZ PHE 73 6.248 -2.634 -5.902 1272 H MET 74 H MET 74 4.723 -3.997 0.305 1273 HA MET 74 HA MET 74 3.498 -1.866 -1.024 1274 1HB MET 74 1HB MET 74 2.732 -4.381 -0.423 1275 2HB MET 74 2HB MET 74 1.798 -3.524 0.813 1276 1HG MET 74 1HG MET 74 1.843 -2.954 -2.187 1277 2HG MET 74 2HG MET 74 0.614 -3.890 -1.351 1278 1HE MET 74 1HE MET 74 0.187 -1.298 -3.343 1279 2HE MET 74 2HE MET 74 -0.999 -2.472 -2.721 1280 3HE MET 74 3HE MET 74 -1.287 -0.719 -2.525 1281 H ALA 75 H ALA 75 3.750 -2.515 2.461 1282 HA ALA 75 HA ALA 75 2.316 -0.255 3.392 1283 1HB ALA 75 1HB ALA 75 3.074 -2.111 4.844 1284 2HB ALA 75 2HB ALA 75 4.750 -1.543 4.694 1285 3HB ALA 75 3HB ALA 75 3.537 -0.519 5.479 1286 H PHE 76 H PHE 76 5.761 -0.551 2.429 1287 HA PHE 76 HA PHE 76 6.493 2.155 3.101 1288 1HB PHE 76 1HB PHE 76 8.208 0.514 2.759 1289 2HB PHE 76 2HB PHE 76 7.645 0.141 1.148 1290 HD1 PHE 76 HD1 PHE 76 9.661 2.486 3.159 1291 HD2 PHE 76 HD2 PHE 76 8.034 1.614 -0.753 1292 HE1 PHE 76 HE1 PHE 76 11.169 4.170 2.135 1293 HE2 PHE 76 HE2 PHE 76 9.519 3.308 -1.749 1294 HZ PHE 76 HZ PHE 76 11.100 4.578 -0.335 1295 H VAL 77 H VAL 77 5.514 0.644 0.027 1296 HA VAL 77 HA VAL 77 5.356 2.952 -1.570 1297 HB VAL 77 HB VAL 77 3.816 0.343 -1.587 1298 1HG1 VAL 77 1HG1 VAL 77 3.860 2.557 -3.699 1299 2HG1 VAL 77 2HG1 VAL 77 3.245 0.915 -3.971 1300 3HG1 VAL 77 3HG1 VAL 77 2.440 1.972 -2.810 1301 1HG2 VAL 77 1HG2 VAL 77 6.303 0.251 -2.059 1302 2HG2 VAL 77 2HG2 VAL 77 5.301 -0.244 -3.429 1303 3HG2 VAL 77 3HG2 VAL 77 6.045 1.370 -3.404 1304 H ALA 78 H ALA 78 2.949 1.595 0.735 1305 HA ALA 78 HA ALA 78 0.828 3.306 0.084 1306 1HB ALA 78 1HB ALA 78 1.446 2.189 2.845 1307 2HB ALA 78 2HB ALA 78 -0.118 2.738 2.231 1308 3HB ALA 78 3HB ALA 78 0.640 1.294 1.537 1309 H MET 79 H MET 79 3.338 3.790 2.663 1310 HA MET 79 HA MET 79 2.250 6.383 3.323 1311 1HB MET 79 1HB MET 79 4.485 6.825 4.418 1312 2HB MET 79 2HB MET 79 3.445 5.545 5.060 1313 1HG MET 79 1HG MET 79 4.837 3.843 4.042 1314 2HG MET 79 2HG MET 79 5.897 5.082 3.320 1315 1HE MET 79 1HE MET 79 6.497 2.499 5.358 1316 2HE MET 79 2HE MET 79 7.773 3.443 4.527 1317 3HE MET 79 3HE MET 79 7.842 3.205 6.290 1318 H ILE 80 H ILE 80 4.838 5.405 1.070 1319 HA ILE 80 HA ILE 80 5.682 8.015 0.287 1320 HB ILE 80 HB ILE 80 5.429 5.405 -1.245 1321 1HG1 ILE 80 1HG1 ILE 80 6.973 5.580 0.843 1322 2HG1 ILE 80 2HG1 ILE 80 7.572 4.876 -0.661 1323 1HG2 ILE 80 1HG2 ILE 80 7.090 6.361 -2.831 1324 2HG2 ILE 80 2HG2 ILE 80 5.513 7.133 -2.908 1325 3HG2 ILE 80 3HG2 ILE 80 6.851 7.952 -2.074 1326 1HD1 ILE 80 1HD1 ILE 80 8.851 6.861 -1.163 1327 2HD1 ILE 80 2HD1 ILE 80 8.050 7.756 0.150 1328 3HD1 ILE 80 3HD1 ILE 80 9.157 6.422 0.526 1329 H THR 81 H THR 81 3.142 5.904 -1.028 1330 HA THR 81 HA THR 81 2.163 7.701 -2.995 1331 HB THR 81 HB THR 81 0.854 5.330 -1.593 1332 HG1 THR 81 HG1 THR 81 2.656 4.746 -2.703 1333 1HG2 THR 81 1HG2 THR 81 -0.002 6.993 -3.978 1334 2HG2 THR 81 2HG2 THR 81 -0.452 5.281 -3.836 1335 3HG2 THR 81 3HG2 THR 81 -0.940 6.434 -2.587 1336 H THR 82 H THR 82 1.334 7.241 0.468 1337 HA THR 82 HA THR 82 -0.899 9.016 0.486 1338 HB THR 82 HB THR 82 1.021 8.400 2.757 1339 HG1 THR 82 HG1 THR 82 -0.034 6.567 1.816 1340 1HG2 THR 82 1HG2 THR 82 -0.937 8.967 4.169 1341 2HG2 THR 82 2HG2 THR 82 -0.387 10.374 3.243 1342 3HG2 THR 82 3HG2 THR 82 -1.834 9.478 2.728 1343 H ALA 83 H ALA 83 2.636 9.639 1.121 1344 HA ALA 83 HA ALA 83 2.340 12.438 1.528 1345 1HB ALA 83 1HB ALA 83 4.416 11.231 2.002 1346 2HB ALA 83 2HB ALA 83 4.669 10.914 0.273 1347 3HB ALA 83 3HB ALA 83 4.726 12.574 0.883 1348 H CYS 84 H CYS 84 2.910 10.599 -1.513 1349 HA CYS 84 HA CYS 84 2.869 12.892 -3.204 1350 1HB CYS 84 1HB CYS 84 3.814 10.792 -3.936 1351 2HB CYS 84 2HB CYS 84 2.207 10.015 -3.906 1352 HG CYS 84 HG CYS 84 3.127 10.711 -6.362 1353 H HIS 85 H HIS 85 0.205 10.831 -2.037 1354 HA HIS 85 HA HIS 85 -1.873 11.993 -3.604 1355 1HB HIS 85 1HB HIS 85 -2.190 9.906 -2.506 1356 2HB HIS 85 2HB HIS 85 -1.858 10.593 -0.920 1357 HD1 HIS 85 HD1 HIS 85 -4.720 10.345 -3.451 1358 HD2 HIS 85 HD2 HIS 85 -3.776 11.752 0.396 1359 HE1 HIS 85 HE1 HIS 85 -6.933 10.891 -2.305 1360 H GLU 86 H GLU 86 -0.708 12.781 -0.270 1361 HA GLU 86 HA GLU 86 -2.438 14.976 0.184 1362 1HB GLU 86 1HB GLU 86 0.440 14.496 1.097 1363 2HB GLU 86 2HB GLU 86 -0.595 15.774 1.718 1364 1HG GLU 86 1HG GLU 86 -1.183 12.784 1.942 1365 2HG GLU 86 2HG GLU 86 -0.564 13.822 3.225 1366 H PHE 87 H PHE 87 0.816 14.921 -1.319 1367 HA PHE 87 HA PHE 87 1.015 17.637 -2.072 1368 1HB PHE 87 1HB PHE 87 2.923 16.346 -2.455 1369 2HB PHE 87 2HB PHE 87 2.037 15.052 -3.196 1370 HD1 PHE 87 HD1 PHE 87 2.386 14.706 -5.468 1371 HD2 PHE 87 HD2 PHE 87 2.482 18.734 -3.923 1372 HE1 PHE 87 HE1 PHE 87 2.746 15.583 -7.752 1373 HE2 PHE 87 HE2 PHE 87 2.884 19.597 -6.205 1374 HZ PHE 87 HZ PHE 87 2.978 18.029 -8.131 1375 H PHE 88 H PHE 88 -0.282 14.985 -4.023 1376 HA PHE 88 HA PHE 88 -1.090 16.516 -6.224 1377 1HB PHE 88 1HB PHE 88 -0.664 14.159 -6.138 1378 2HB PHE 88 2HB PHE 88 -2.087 13.873 -5.119 1379 HD1 PHE 88 HD1 PHE 88 -0.952 14.447 -8.574 1380 HD2 PHE 88 HD2 PHE 88 -4.398 14.073 -6.002 1381 HE1 PHE 88 HE1 PHE 88 -2.368 13.905 -10.536 1382 HE2 PHE 88 HE2 PHE 88 -5.805 13.543 -7.969 1383 HZ PHE 88 HZ PHE 88 -4.796 13.447 -10.238 1384 H GLU 89 H GLU 89 -2.905 15.708 -3.250 1385 HA GLU 89 HA GLU 89 -5.430 16.791 -4.124 1386 1HB GLU 89 1HB GLU 89 -4.198 16.296 -1.377 1387 2HB GLU 89 2HB GLU 89 -5.797 17.007 -1.611 1388 1HG GLU 89 1HG GLU 89 -6.468 15.018 -2.971 1389 2HG GLU 89 2HG GLU 89 -4.936 14.239 -2.555 1390 H HIS 90 H HIS 90 -2.623 18.178 -2.335 1391 HA HIS 90 HA HIS 90 -3.857 20.909 -2.687 1392 1HB HIS 90 1HB HIS 90 -2.203 19.867 -0.372 1393 2HB HIS 90 2HB HIS 90 -2.994 21.447 -0.498 1394 HD1 HIS 90 HD1 HIS 90 -3.523 18.159 0.979 1395 HD2 HIS 90 HD2 HIS 90 -5.920 20.974 -1.030 1396 HE1 HIS 90 HE1 HIS 90 -5.959 17.540 1.475 1397 H GLU 91 H GLU 91 -2.566 20.600 -4.780 1398 HA GLU 91 HA GLU 91 0.301 20.714 -4.607 1399 1HB GLU 91 1HB GLU 91 -1.559 21.506 -6.887 1400 2HB GLU 91 2HB GLU 91 0.199 21.301 -6.999 1401 1HG GLU 91 1HG GLU 91 -0.042 18.924 -6.259 1402 2HG GLU 91 2HG GLU 91 -1.799 19.123 -6.244 1403 1H LYS 62 H1 LYS 62 -20.416 -27.727 8.881 1404 2H LYS 62 H2 LYS 62 -19.773 -26.414 9.653 1405 3H LYS 62 H3 LYS 62 -21.036 -27.219 10.315 1406 HA LYS 62 HA LYS 62 -19.052 -27.724 11.473 1407 1HB LYS 62 1HB LYS 62 -19.193 -30.206 11.343 1408 2HB LYS 62 2HB LYS 62 -20.723 -29.357 11.596 1409 1HG LYS 62 1HG LYS 62 -21.391 -29.711 9.271 1410 2HG LYS 62 2HG LYS 62 -19.802 -30.386 8.876 1411 1HD LYS 62 1HD LYS 62 -21.388 -32.177 9.105 1412 2HD LYS 62 2HD LYS 62 -20.192 -32.283 10.405 1413 1HE LYS 62 1HE LYS 62 -21.805 -31.318 12.007 1414 2HE LYS 62 2HE LYS 62 -22.976 -31.047 10.699 1415 1HZ LYS 62 1HZ LYS 62 -23.070 -33.412 10.393 1416 2HZ LYS 62 2HZ LYS 62 -21.974 -33.655 11.601 1417 3HZ LYS 62 3HZ LYS 62 -23.451 -33.012 11.944 1418 H ARG 63 H ARG 63 -18.808 -28.404 8.001 1419 HA ARG 63 HA ARG 63 -15.824 -28.496 8.236 1420 1HB ARG 63 1HB ARG 63 -17.619 -29.786 6.151 1421 2HB ARG 63 2HB ARG 63 -15.862 -29.716 6.101 1422 1HG ARG 63 1HG ARG 63 -17.598 -31.223 8.104 1423 2HG ARG 63 2HG ARG 63 -16.567 -31.904 6.846 1424 1HD ARG 63 1HD ARG 63 -15.693 -30.510 9.401 1425 2HD ARG 63 2HD ARG 63 -15.478 -32.204 8.947 1426 HE ARG 63 HE ARG 63 -14.216 -30.610 6.971 1427 1HH1 ARG 63 2HH2 ARG 63 -13.819 -31.576 10.341 1428 2HH1 ARG 63 1HH2 ARG 63 -12.087 -31.392 10.346 1429 1HH2 ARG 63 2HH1 ARG 63 -11.952 -30.366 6.947 1430 2HH2 ARG 63 1HH1 ARG 63 -11.003 -30.718 8.364 1431 H LEU 64 H LEU 64 -15.189 -26.470 7.764 1432 HA LEU 64 HA LEU 64 -14.805 -24.585 6.681 1433 1HB LEU 64 1HB LEU 64 -14.892 -26.036 4.593 1434 2HB LEU 64 2HB LEU 64 -16.564 -25.506 4.382 1435 HG LEU 64 HG LEU 64 -15.691 -23.098 4.369 1436 1HD1 LEU 64 1HD1 LEU 64 -13.449 -23.442 5.356 1437 2HD1 LEU 64 2HD1 LEU 64 -13.026 -24.552 4.035 1438 3HD1 LEU 64 3HD1 LEU 64 -13.303 -22.832 3.704 1439 1HD2 LEU 64 1HD2 LEU 64 -16.385 -24.304 2.336 1440 2HD2 LEU 64 2HD2 LEU 64 -15.004 -23.243 2.015 1441 3HD2 LEU 64 3HD2 LEU 64 -14.755 -24.994 2.181 1442 H ARG 65 H ARG 65 -18.268 -25.485 6.379 1443 HA ARG 65 HA ARG 65 -19.193 -22.768 6.779 1444 1HB ARG 65 1HB ARG 65 -20.411 -24.772 5.656 1445 2HB ARG 65 2HB ARG 65 -20.852 -25.251 7.290 1446 1HG ARG 65 1HG ARG 65 -21.518 -22.652 5.822 1447 2HG ARG 65 2HG ARG 65 -22.617 -23.953 6.279 1448 1HD ARG 65 1HD ARG 65 -23.048 -22.244 7.824 1449 2HD ARG 65 2HD ARG 65 -22.067 -23.416 8.723 1450 HE ARG 65 HE ARG 65 -20.452 -21.369 7.460 1451 1HH1 ARG 65 2HH1 ARG 65 -22.644 -21.833 10.187 1452 2HH1 ARG 65 1HH1 ARG 65 -21.952 -20.540 11.133 1453 1HH2 ARG 65 2HH2 ARG 65 -19.503 -19.696 8.715 1454 2HH2 ARG 65 1HH2 ARG 65 -20.272 -19.206 10.192 1455 H ARG 66 H ARG 66 -17.645 -22.461 8.483 1456 HA ARG 66 HA ARG 66 -18.809 -22.664 11.163 1457 1HB ARG 66 1HB ARG 66 -16.945 -23.888 12.163 1458 2HB ARG 66 2HB ARG 66 -17.740 -24.857 10.926 1459 1HG ARG 66 1HG ARG 66 -15.833 -23.894 9.333 1460 2HG ARG 66 2HG ARG 66 -15.011 -23.528 10.860 1461 1HD ARG 66 1HD ARG 66 -15.285 -25.932 11.520 1462 2HD ARG 66 2HD ARG 66 -16.114 -26.213 9.973 1463 HE ARG 66 HE ARG 66 -13.537 -25.072 9.499 1464 1HH1 ARG 66 1HH2 ARG 66 -15.117 -28.108 10.484 1465 2HH1 ARG 66 2HH2 ARG 66 -13.754 -29.097 10.039 1466 1HH2 ARG 66 2HH1 ARG 66 -11.802 -26.421 8.806 1467 2HH2 ARG 66 1HH1 ARG 66 -11.905 -28.149 9.002 1468 H SER 67 H SER 67 -16.799 -21.074 8.863 1469 HA SER 67 HA SER 67 -14.853 -19.880 10.557 1470 1HB SER 67 1HB SER 67 -14.627 -18.575 8.281 1471 2HB SER 67 2HB SER 67 -14.361 -20.317 8.295 1472 HG SER 67 HG SER 67 -16.911 -19.163 7.727 1473 H ALA 68 H ALA 68 -17.253 -19.303 11.850 1474 HA ALA 68 HA ALA 68 -18.661 -17.731 12.626 1475 1HB ALA 68 1HB ALA 68 -16.708 -15.662 11.506 1476 2HB ALA 68 2HB ALA 68 -18.022 -15.376 12.657 1477 3HB ALA 68 3HB ALA 68 -16.657 -16.412 13.112 1478 H HIS 69 H HIS 69 -17.591 -16.176 9.612 1479 HA HIS 69 HA HIS 69 -20.300 -15.784 8.553 1480 1HB HIS 69 1HB HIS 69 -17.452 -15.432 7.513 1481 2HB HIS 69 2HB HIS 69 -18.855 -15.219 6.483 1482 HD1 HIS 69 HD1 HIS 69 -20.479 -13.623 9.007 1483 HD2 HIS 69 HD2 HIS 69 -16.888 -12.784 6.980 1484 HE1 HIS 69 HE1 HIS 69 -20.165 -11.094 9.082 1485 H ALA 70 H ALA 70 -21.092 -16.885 6.696 1486 HA ALA 70 HA ALA 70 -20.150 -19.688 6.413 1487 1HB ALA 70 1HB ALA 70 -22.750 -18.330 5.590 1488 2HB ALA 70 2HB ALA 70 -22.353 -20.059 5.389 1489 3HB ALA 70 3HB ALA 70 -22.494 -19.357 7.008 1490 H ARG 71 H ARG 71 -21.901 -18.632 3.725 1491 HA ARG 71 HA ARG 71 -19.406 -18.550 2.101 1492 1HB ARG 71 1HB ARG 71 -22.187 -19.512 1.356 1493 2HB ARG 71 2HB ARG 71 -20.803 -19.405 0.268 1494 1HG ARG 71 1HG ARG 71 -21.050 -21.232 2.699 1495 2HG ARG 71 2HG ARG 71 -21.148 -21.674 0.992 1496 1HD ARG 71 1HD ARG 71 -18.948 -22.250 1.390 1497 2HD ARG 71 2HD ARG 71 -18.730 -20.601 0.847 1498 HE ARG 71 HE ARG 71 -18.303 -19.866 3.047 1499 1HH1 ARG 71 1HH2 ARG 71 -18.978 -23.334 3.054 1500 2HH1 ARG 71 2HH2 ARG 71 -18.379 -23.571 4.668 1501 1HH2 ARG 71 2HH1 ARG 71 -17.657 -20.109 5.099 1502 2HH2 ARG 71 1HH1 ARG 71 -17.393 -21.688 5.827 1503 H LYS 72 H LYS 72 -22.780 -17.461 1.638 1504 HA LYS 72 HA LYS 72 -22.323 -15.774 -0.413 1505 1HB LYS 72 1HB LYS 72 -24.514 -16.489 0.744 1506 2HB LYS 72 2HB LYS 72 -24.358 -15.032 1.720 1507 1HG LYS 72 1HG LYS 72 -24.574 -15.225 -1.324 1508 2HG LYS 72 2HG LYS 72 -25.844 -14.749 -0.193 1509 1HD LYS 72 1HD LYS 72 -24.381 -12.751 0.471 1510 2HD LYS 72 2HD LYS 72 -23.296 -13.213 -0.859 1511 1HE LYS 72 1HE LYS 72 -24.713 -11.474 -1.642 1512 2HE LYS 72 2HE LYS 72 -25.140 -12.968 -2.488 1513 1HZ LYS 72 1HZ LYS 72 -26.586 -11.833 -0.189 1514 2HZ LYS 72 2HZ LYS 72 -27.050 -11.715 -1.765 1515 3HZ LYS 72 3HZ LYS 72 -27.016 -13.186 -1.026 1516 H GLU 73 H GLU 73 -22.485 -14.591 2.981 1517 HA GLU 73 HA GLU 73 -21.820 -11.942 2.350 1518 1HB GLU 73 1HB GLU 73 -21.630 -11.516 4.632 1519 2HB GLU 73 2HB GLU 73 -22.884 -12.743 4.465 1520 1HG GLU 73 1HG GLU 73 -20.010 -13.142 5.412 1521 2HG GLU 73 2HG GLU 73 -21.468 -13.177 6.395 1522 H THR 74 H THR 74 -19.644 -14.665 2.340 1523 HA THR 74 HA THR 74 -17.281 -12.852 2.350 1524 HB THR 74 HB THR 74 -16.145 -15.144 2.792 1525 HG1 THR 74 HG1 THR 74 -18.754 -15.720 3.758 1526 1HG2 THR 74 1HG2 THR 74 -16.156 -13.360 4.445 1527 2HG2 THR 74 2HG2 THR 74 -17.820 -13.759 4.905 1528 3HG2 THR 74 3HG2 THR 74 -16.499 -14.906 5.241 1529 H GLU 75 H GLU 75 -19.355 -14.211 0.124 1530 HA GLU 75 HA GLU 75 -17.745 -15.850 -1.425 1531 1HB GLU 75 1HB GLU 75 -20.302 -14.829 -1.693 1532 2HB GLU 75 2HB GLU 75 -19.474 -13.999 -3.007 1533 1HG GLU 75 1HG GLU 75 -20.414 -16.053 -3.847 1534 2HG GLU 75 2HG GLU 75 -18.662 -16.290 -3.781 1535 H PHE 76 H PHE 76 -18.058 -12.389 -1.719 1536 HA PHE 76 HA PHE 76 -16.163 -11.705 -3.625 1537 1HB PHE 76 1HB PHE 76 -16.225 -10.021 -1.158 1538 2HB PHE 76 2HB PHE 76 -16.382 -9.557 -2.842 1539 HD1 PHE 76 HD1 PHE 76 -18.633 -9.728 -3.990 1540 HD2 PHE 76 HD2 PHE 76 -18.148 -10.640 0.212 1541 HE1 PHE 76 HE1 PHE 76 -21.070 -10.080 -3.771 1542 HE2 PHE 76 HE2 PHE 76 -20.573 -11.060 0.387 1543 HZ PHE 76 HZ PHE 76 -22.040 -10.776 -1.599 1544 H LEU 77 H LEU 77 -15.608 -12.654 -0.257 1545 HA LEU 77 HA LEU 77 -12.753 -11.891 -0.365 1546 1HB LEU 77 1HB LEU 77 -14.357 -12.966 1.972 1547 2HB LEU 77 2HB LEU 77 -12.808 -12.115 2.010 1548 HG LEU 77 HG LEU 77 -15.534 -10.938 1.266 1549 1HD1 LEU 77 1HD1 LEU 77 -13.707 -10.397 3.634 1550 2HD1 LEU 77 2HD1 LEU 77 -15.264 -9.608 3.293 1551 3HD1 LEU 77 3HD1 LEU 77 -15.215 -11.337 3.668 1552 1HD2 LEU 77 1HD2 LEU 77 -13.805 -9.814 -0.087 1553 2HD2 LEU 77 2HD2 LEU 77 -14.378 -8.746 1.195 1554 3HD2 LEU 77 3HD2 LEU 77 -12.810 -9.565 1.365 1555 H ARG 78 H ARG 78 -14.761 -14.657 -0.829 1556 HA ARG 78 HA ARG 78 -13.291 -16.714 0.225 1557 1HB ARG 78 1HB ARG 78 -15.509 -16.839 -0.860 1558 2HB ARG 78 2HB ARG 78 -14.744 -16.773 -2.448 1559 1HG ARG 78 1HG ARG 78 -14.120 -18.952 -2.384 1560 2HG ARG 78 2HG ARG 78 -13.570 -18.875 -0.709 1561 1HD ARG 78 1HD ARG 78 -16.498 -19.083 -1.506 1562 2HD ARG 78 2HD ARG 78 -15.468 -20.436 -1.073 1563 HE ARG 78 HE ARG 78 -15.227 -19.705 1.140 1564 1HH1 ARG 78 2HH2 ARG 78 -17.754 -17.852 -0.565 1565 2HH1 ARG 78 1HH2 ARG 78 -18.285 -17.042 0.887 1566 1HH2 ARG 78 1HH1 ARG 78 -16.030 -18.762 3.003 1567 2HH2 ARG 78 2HH1 ARG 78 -17.306 -17.564 2.928 1568 H LEU 79 H LEU 79 -12.425 -14.776 -2.585 1569 HA LEU 79 HA LEU 79 -10.431 -16.445 -3.731 1570 1HB LEU 79 1HB LEU 79 -10.807 -13.441 -3.533 1571 2HB LEU 79 2HB LEU 79 -9.382 -14.150 -4.298 1572 HG LEU 79 HG LEU 79 -10.706 -15.323 -5.941 1573 1HD1 LEU 79 1HD1 LEU 79 -13.169 -14.128 -4.586 1574 2HD1 LEU 79 2HD1 LEU 79 -12.784 -15.862 -4.771 1575 3HD1 LEU 79 3HD1 LEU 79 -13.150 -14.890 -6.188 1576 1HD2 LEU 79 1HD2 LEU 79 -11.613 -12.430 -5.699 1577 2HD2 LEU 79 2HD2 LEU 79 -10.044 -12.955 -6.349 1578 3HD2 LEU 79 3HD2 LEU 79 -11.543 -13.387 -7.190 1579 H LYS 80 H LYS 80 -10.336 -14.307 -0.840 1580 HA LYS 80 HA LYS 80 -7.485 -14.676 -0.452 1581 1HB LYS 80 1HB LYS 80 -8.745 -12.692 0.320 1582 2HB LYS 80 2HB LYS 80 -9.586 -13.698 1.517 1583 1HG LYS 80 1HG LYS 80 -7.538 -14.127 2.718 1584 2HG LYS 80 2HG LYS 80 -6.546 -13.554 1.372 1585 1HD LYS 80 1HD LYS 80 -6.551 -11.889 3.132 1586 2HD LYS 80 2HD LYS 80 -7.340 -11.252 1.684 1587 1HE LYS 80 1HE LYS 80 -9.571 -11.665 2.699 1588 2HE LYS 80 2HE LYS 80 -8.795 -12.377 4.128 1589 1HZ LYS 80 1HZ LYS 80 -7.769 -10.257 4.534 1590 2HZ LYS 80 2HZ LYS 80 -8.488 -9.606 3.202 1591 3HZ LYS 80 3HZ LYS 80 -9.409 -10.108 4.472 1592 H ARG 81 H ARG 81 -10.486 -16.158 0.853 1593 HA ARG 81 HA ARG 81 -9.229 -17.987 2.657 1594 1HB ARG 81 1HB ARG 81 -11.761 -18.411 1.014 1595 2HB ARG 81 2HB ARG 81 -11.230 -19.379 2.390 1596 1HG ARG 81 1HG ARG 81 -11.360 -17.398 3.871 1597 2HG ARG 81 2HG ARG 81 -11.852 -16.390 2.505 1598 1HD ARG 81 1HD ARG 81 -13.774 -16.909 3.777 1599 2HD ARG 81 2HD ARG 81 -13.915 -17.763 2.235 1600 HE ARG 81 HE ARG 81 -12.897 -19.746 3.631 1601 1HH1 ARG 81 2HH1 ARG 81 -15.428 -17.462 4.793 1602 2HH1 ARG 81 1HH1 ARG 81 -15.959 -18.607 6.009 1603 1HH2 ARG 81 1HH2 ARG 81 -13.823 -21.195 5.162 1604 2HH2 ARG 81 2HH2 ARG 81 -15.146 -20.628 6.175 1605 H THR 82 H THR 82 -9.883 -18.184 -0.838 1606 HA THR 82 HA THR 82 -8.761 -20.770 -1.242 1607 HB THR 82 HB THR 82 -8.933 -18.494 -3.250 1608 HG1 THR 82 HG1 THR 82 -10.953 -18.947 -2.296 1609 1HG2 THR 82 1HG2 THR 82 -7.565 -20.388 -4.042 1610 2HG2 THR 82 2HG2 THR 82 -8.854 -21.522 -3.582 1611 3HG2 THR 82 3HG2 THR 82 -9.125 -20.344 -4.879 1612 H ARG 83 H ARG 83 -7.242 -17.458 -1.278 1613 HA ARG 83 HA ARG 83 -4.644 -18.406 -1.925 1614 1HB ARG 83 1HB ARG 83 -5.140 -16.038 -1.889 1615 2HB ARG 83 2HB ARG 83 -5.372 -16.035 -0.141 1616 1HG ARG 83 1HG ARG 83 -2.786 -17.108 -1.276 1617 2HG ARG 83 2HG ARG 83 -3.046 -15.378 -1.231 1618 1HD ARG 83 1HD ARG 83 -2.838 -15.153 0.969 1619 2HD ARG 83 2HD ARG 83 -3.612 -16.685 1.377 1620 HE ARG 83 HE ARG 83 -1.320 -17.558 0.236 1621 1HH1 ARG 83 1HH1 ARG 83 -2.021 -15.370 2.921 1622 2HH1 ARG 83 2HH1 ARG 83 -0.494 -15.642 3.715 1623 1HH2 ARG 83 2HH2 ARG 83 0.640 -17.906 1.221 1624 2HH2 ARG 83 1HH2 ARG 83 1.078 -17.111 2.719 1625 H LEU 84 H LEU 84 -6.336 -18.314 1.277 1626 HA LEU 84 HA LEU 84 -4.023 -19.350 2.690 1627 1HB LEU 84 1HB LEU 84 -6.994 -19.423 3.350 1628 2HB LEU 84 2HB LEU 84 -5.796 -20.281 4.302 1629 HG LEU 84 HG LEU 84 -6.291 -18.270 5.400 1630 1HD1 LEU 84 1HD1 LEU 84 -3.895 -19.049 5.393 1631 2HD1 LEU 84 2HD1 LEU 84 -3.548 -17.795 4.175 1632 3HD1 LEU 84 3HD1 LEU 84 -4.137 -17.336 5.775 1633 1HD2 LEU 84 1HD2 LEU 84 -5.911 -16.031 4.511 1634 2HD2 LEU 84 2HD2 LEU 84 -5.481 -16.700 2.928 1635 3HD2 LEU 84 3HD2 LEU 84 -7.131 -16.902 3.572 1636 H GLY 85 H GLY 85 -6.642 -20.892 0.853 1637 1HA GLY 85 1HA GLY 85 -5.932 -23.606 1.213 1638 2HA GLY 85 2HA GLY 85 -6.616 -22.905 -0.262 1639 H LEU 86 H LEU 86 -4.662 -21.255 -1.234 1640 HA LEU 86 HA LEU 86 -2.735 -23.078 -2.351 1641 1HB LEU 86 1HB LEU 86 -2.964 -20.039 -2.382 1642 2HB LEU 86 2HB LEU 86 -1.575 -20.870 -3.054 1643 HG LEU 86 HG LEU 86 -2.935 -20.338 -4.840 1644 1HD1 LEU 86 1HD1 LEU 86 -3.497 -23.294 -4.463 1645 2HD1 LEU 86 2HD1 LEU 86 -3.196 -22.393 -5.960 1646 3HD1 LEU 86 3HD1 LEU 86 -1.877 -22.646 -4.804 1647 1HD2 LEU 86 1HD2 LEU 86 -5.084 -20.002 -3.777 1648 2HD2 LEU 86 2HD2 LEU 86 -5.243 -21.097 -5.160 1649 3HD2 LEU 86 3HD2 LEU 86 -5.271 -21.760 -3.518 1650 H GLU 87 H GLU 87 -2.545 -20.834 0.368 1651 HA GLU 87 HA GLU 87 -0.983 -20.424 1.932 1652 1HB GLU 87 1HB GLU 87 0.295 -23.088 1.163 1653 2HB GLU 87 2HB GLU 87 0.645 -22.123 2.600 1654 1HG GLU 87 1HG GLU 87 -1.727 -22.381 3.336 1655 2HG GLU 87 2HG GLU 87 -2.034 -23.418 1.930 1656 1H LYS 62 H1 LYS 62 25.170 25.640 14.915 1657 2H LYS 62 H2 LYS 62 25.491 26.645 13.657 1658 3H LYS 62 H3 LYS 62 25.060 27.279 15.120 1659 HA LYS 62 HA LYS 62 27.394 27.528 14.759 1660 1HB LYS 62 1HB LYS 62 26.870 25.344 16.814 1661 2HB LYS 62 2HB LYS 62 28.204 26.499 16.824 1662 1HG LYS 62 1HG LYS 62 25.248 27.147 17.242 1663 2HG LYS 62 2HG LYS 62 26.512 27.065 18.467 1664 1HD LYS 62 1HD LYS 62 27.717 28.962 17.362 1665 2HD LYS 62 2HD LYS 62 26.429 29.059 16.150 1666 1HE LYS 62 1HE LYS 62 26.058 30.763 17.821 1667 2HE LYS 62 2HE LYS 62 24.767 29.556 17.924 1668 1HZ LYS 62 1HZ LYS 62 25.904 28.597 19.795 1669 2HZ LYS 62 2HZ LYS 62 27.130 29.694 19.673 1670 3HZ LYS 62 3HZ LYS 62 25.610 30.194 20.068 1671 H ARG 63 H ARG 63 29.528 26.316 14.839 1672 HA ARG 63 HA ARG 63 29.748 24.431 12.689 1673 1HB ARG 63 1HB ARG 63 31.550 25.977 13.431 1674 2HB ARG 63 2HB ARG 63 31.700 25.061 14.942 1675 1HG ARG 63 1HG ARG 63 32.273 23.016 13.615 1676 2HG ARG 63 2HG ARG 63 32.168 23.966 12.122 1677 1HD ARG 63 1HD ARG 63 34.076 24.494 14.445 1678 2HD ARG 63 2HD ARG 63 34.492 23.652 12.936 1679 HE ARG 63 HE ARG 63 33.398 26.158 12.234 1680 1HH1 ARG 63 2HH2 ARG 63 36.252 24.849 13.843 1681 2HH1 ARG 63 1HH2 ARG 63 37.303 26.157 13.372 1682 1HH2 ARG 63 2HH1 ARG 63 34.756 27.892 11.612 1683 2HH2 ARG 63 1HH1 ARG 63 36.432 27.918 12.084 1684 H LEU 64 H LEU 64 29.377 22.203 12.768 1685 HA LEU 64 HA LEU 64 29.826 20.600 15.047 1686 1HB LEU 64 1HB LEU 64 27.822 21.660 15.956 1687 2HB LEU 64 2HB LEU 64 26.928 21.381 14.472 1688 HG LEU 64 HG LEU 64 26.973 18.934 14.896 1689 1HD1 LEU 64 1HD1 LEU 64 29.095 18.664 16.080 1690 2HD1 LEU 64 2HD1 LEU 64 28.536 19.719 17.399 1691 3HD1 LEU 64 3HD1 LEU 64 27.780 18.135 17.135 1692 1HD2 LEU 64 1HD2 LEU 64 25.151 20.331 15.806 1693 2HD2 LEU 64 2HD2 LEU 64 25.510 18.977 16.890 1694 3HD2 LEU 64 3HD2 LEU 64 26.088 20.604 17.289 1695 H ARG 65 H ARG 65 27.120 20.360 12.739 1696 HA ARG 65 HA ARG 65 26.658 19.069 10.985 1697 1HB ARG 65 1HB ARG 65 29.635 18.888 10.392 1698 2HB ARG 65 2HB ARG 65 28.289 18.670 9.284 1699 1HG ARG 65 1HG ARG 65 29.161 21.282 10.599 1700 2HG ARG 65 2HG ARG 65 29.481 20.765 8.950 1701 1HD ARG 65 1HD ARG 65 27.670 22.292 8.766 1702 2HD ARG 65 2HD ARG 65 26.991 20.688 8.523 1703 HE ARG 65 HE ARG 65 25.741 20.921 10.448 1704 1HH1 ARG 65 2HH2 ARG 65 28.213 23.480 10.482 1705 2HH1 ARG 65 1HH2 ARG 65 27.618 24.110 12.021 1706 1HH2 ARG 65 2HH1 ARG 65 25.025 21.796 12.356 1707 2HH2 ARG 65 1HH1 ARG 65 25.864 23.193 13.066 1708 H ARG 66 H ARG 66 29.673 17.710 12.166 1709 HA ARG 66 HA ARG 66 29.374 15.148 11.297 1710 1HB ARG 66 1HB ARG 66 31.369 14.739 12.485 1711 2HB ARG 66 2HB ARG 66 31.354 16.474 12.108 1712 1HG ARG 66 1HG ARG 66 32.088 16.601 14.229 1713 2HG ARG 66 2HG ARG 66 30.363 16.747 14.531 1714 1HD ARG 66 1HD ARG 66 30.403 14.167 14.980 1715 2HD ARG 66 2HD ARG 66 32.140 14.259 14.754 1716 HE ARG 66 HE ARG 66 32.400 15.126 16.836 1717 1HH1 ARG 66 1HH2 ARG 66 29.007 15.576 15.908 1718 2HH1 ARG 66 2HH2 ARG 66 28.488 15.986 17.525 1719 1HH2 ARG 66 2HH1 ARG 66 31.730 15.707 18.924 1720 2HH2 ARG 66 1HH1 ARG 66 30.067 16.111 19.252 1721 H SER 67 H SER 67 28.166 13.464 11.838 1722 HA SER 67 HA SER 67 26.903 11.980 12.878 1723 1HB SER 67 1HB SER 67 28.128 12.969 15.482 1724 2HB SER 67 2HB SER 67 27.391 11.392 15.149 1725 HG SER 67 HG SER 67 29.676 11.332 14.929 1726 H ALA 68 H ALA 68 26.735 14.712 15.172 1727 HA ALA 68 HA ALA 68 24.488 14.220 16.529 1728 1HB ALA 68 1HB ALA 68 25.338 16.939 15.450 1729 2HB ALA 68 2HB ALA 68 24.231 16.668 16.815 1730 3HB ALA 68 3HB ALA 68 25.924 16.149 16.928 1731 H HIS 69 H HIS 69 24.303 16.253 13.559 1732 HA HIS 69 HA HIS 69 21.441 15.401 13.240 1733 1HB HIS 69 1HB HIS 69 20.912 17.537 12.427 1734 2HB HIS 69 2HB HIS 69 21.728 17.748 13.974 1735 HD1 HIS 69 HD1 HIS 69 22.587 17.897 10.222 1736 HD2 HIS 69 HD2 HIS 69 23.631 19.585 13.925 1737 HE1 HIS 69 HE1 HIS 69 24.163 19.859 9.712 1738 H ALA 70 H ALA 70 23.908 14.061 12.206 1739 HA ALA 70 HA ALA 70 24.140 14.840 9.397 1740 1HB ALA 70 1HB ALA 70 25.779 13.037 9.290 1741 2HB ALA 70 2HB ALA 70 26.081 14.085 10.689 1742 3HB ALA 70 3HB ALA 70 25.324 12.489 10.917 1743 H ARG 71 H ARG 71 21.574 14.455 9.527 1744 HA ARG 71 HA ARG 71 20.769 11.672 9.018 1745 1HB ARG 71 1HB ARG 71 19.214 14.262 8.726 1746 2HB ARG 71 2HB ARG 71 18.551 12.625 8.683 1747 1HG ARG 71 1HG ARG 71 19.844 13.989 11.094 1748 2HG ARG 71 2HG ARG 71 18.129 13.708 10.818 1749 1HD ARG 71 1HD ARG 71 18.707 11.983 12.308 1750 2HD ARG 71 2HD ARG 71 18.653 11.199 10.741 1751 HE ARG 71 HE ARG 71 20.911 10.773 10.855 1752 1HH1 ARG 71 2HH1 ARG 71 20.084 13.076 13.391 1753 2HH1 ARG 71 1HH1 ARG 71 21.687 13.160 14.066 1754 1HH2 ARG 71 2HH2 ARG 71 23.037 10.939 11.617 1755 2HH2 ARG 71 1HH2 ARG 71 23.423 11.942 12.995 1756 H LYS 72 H LYS 72 22.515 11.557 7.414 1757 HA LYS 72 HA LYS 72 22.691 12.678 4.909 1758 1HB LYS 72 1HB LYS 72 22.861 9.734 5.670 1759 2HB LYS 72 2HB LYS 72 23.403 10.391 4.115 1760 1HG LYS 72 1HG LYS 72 24.971 11.904 5.276 1761 2HG LYS 72 2HG LYS 72 24.537 11.192 6.838 1762 1HD LYS 72 1HD LYS 72 25.741 9.663 4.474 1763 2HD LYS 72 2HD LYS 72 26.650 10.291 5.855 1764 1HE LYS 72 1HE LYS 72 25.308 8.867 7.399 1765 2HE LYS 72 2HE LYS 72 24.446 8.179 6.010 1766 1HZ LYS 72 1HZ LYS 72 26.496 7.355 5.179 1767 2HZ LYS 72 2HZ LYS 72 27.336 8.005 6.442 1768 3HZ LYS 72 3HZ LYS 72 26.243 6.802 6.710 1769 H GLU 73 H GLU 73 20.270 10.375 5.981 1770 HA GLU 73 HA GLU 73 18.982 9.491 3.776 1771 1HB GLU 73 1HB GLU 73 17.471 10.723 6.127 1772 2HB GLU 73 2HB GLU 73 16.927 9.468 5.015 1773 1HG GLU 73 1HG GLU 73 17.485 8.210 6.863 1774 2HG GLU 73 2HG GLU 73 18.979 8.095 5.928 1775 H THR 74 H THR 74 18.700 12.813 5.104 1776 HA THR 74 HA THR 74 16.550 13.784 3.628 1777 HB THR 74 HB THR 74 17.676 15.996 3.914 1778 HG1 THR 74 HG1 THR 74 19.703 14.561 5.273 1779 1HG2 THR 74 1HG2 THR 74 17.617 16.000 6.378 1780 2HG2 THR 74 2HG2 THR 74 16.246 15.105 5.697 1781 3HG2 THR 74 3HG2 THR 74 17.615 14.226 6.404 1782 H GLU 75 H GLU 75 19.943 13.374 2.573 1783 HA GLU 75 HA GLU 75 20.013 15.071 0.386 1784 1HB GLU 75 1HB GLU 75 21.267 12.314 0.742 1785 2HB GLU 75 2HB GLU 75 21.692 13.426 -0.562 1786 1HG GLU 75 1HG GLU 75 21.993 14.049 2.417 1787 2HG GLU 75 2HG GLU 75 23.291 13.539 1.335 1788 H PHE 76 H PHE 76 18.619 11.798 0.497 1789 HA PHE 76 HA PHE 76 17.546 12.230 -2.263 1790 1HB PHE 76 1HB PHE 76 17.355 9.585 -2.027 1791 2HB PHE 76 2HB PHE 76 18.759 10.419 -2.671 1792 HD1 PHE 76 HD1 PHE 76 20.924 10.267 -1.625 1793 HD2 PHE 76 HD2 PHE 76 17.393 8.872 0.438 1794 HE1 PHE 76 HE1 PHE 76 22.319 9.453 0.228 1795 HE2 PHE 76 HE2 PHE 76 18.819 7.834 2.153 1796 HZ PHE 76 HZ PHE 76 21.290 8.193 2.117 1797 H LEU 77 H LEU 77 16.660 11.585 1.062 1798 HA LEU 77 HA LEU 77 13.998 10.676 0.375 1799 1HB LEU 77 1HB LEU 77 15.349 9.888 2.333 1800 2HB LEU 77 2HB LEU 77 15.155 11.491 3.059 1801 HG LEU 77 HG LEU 77 12.705 11.151 3.165 1802 1HD1 LEU 77 1HD1 LEU 77 11.799 8.839 2.801 1803 2HD1 LEU 77 2HD1 LEU 77 12.289 9.621 1.298 1804 3HD1 LEU 77 3HD1 LEU 77 13.336 8.385 2.038 1805 1HD2 LEU 77 1HD2 LEU 77 12.742 9.469 4.949 1806 2HD2 LEU 77 2HD2 LEU 77 14.322 8.882 4.389 1807 3HD2 LEU 77 3HD2 LEU 77 14.163 10.523 5.054 1808 H ARG 78 H ARG 78 15.466 13.796 0.927 1809 HA ARG 78 HA ARG 78 13.603 15.439 2.020 1810 1HB ARG 78 1HB ARG 78 15.725 16.224 1.228 1811 2HB ARG 78 2HB ARG 78 15.312 15.749 -0.437 1812 1HG ARG 78 1HG ARG 78 13.645 17.639 -0.483 1813 2HG ARG 78 2HG ARG 78 14.142 18.049 1.169 1814 1HD ARG 78 1HD ARG 78 15.294 19.476 -0.425 1815 2HD ARG 78 2HD ARG 78 16.486 18.427 0.326 1816 HE ARG 78 HE ARG 78 15.482 18.420 -2.460 1817 1HH1 ARG 78 2HH1 ARG 78 17.530 16.686 -0.108 1818 2HH1 ARG 78 1HH1 ARG 78 18.296 15.722 -1.343 1819 1HH2 ARG 78 2HH2 ARG 78 16.588 17.196 -4.030 1820 2HH2 ARG 78 1HH2 ARG 78 17.800 16.035 -3.543 1821 H LEU 79 H LEU 79 13.422 14.119 -1.302 1822 HA LEU 79 HA LEU 79 11.339 15.762 -2.280 1823 1HB LEU 79 1HB LEU 79 12.085 12.885 -2.951 1824 2HB LEU 79 2HB LEU 79 10.902 13.865 -3.825 1825 HG LEU 79 HG LEU 79 12.689 15.548 -4.335 1826 1HD1 LEU 79 1HD1 LEU 79 15.069 14.638 -4.325 1827 2HD1 LEU 79 2HD1 LEU 79 14.475 15.114 -2.744 1828 3HD1 LEU 79 3HD1 LEU 79 14.525 13.392 -3.194 1829 1HD2 LEU 79 1HD2 LEU 79 11.919 13.846 -5.944 1830 2HD2 LEU 79 2HD2 LEU 79 13.642 14.188 -6.155 1831 3HD2 LEU 79 3HD2 LEU 79 13.130 12.705 -5.329 1832 H LYS 80 H LYS 80 11.212 12.723 -0.395 1833 HA LYS 80 HA LYS 80 8.374 12.310 -0.579 1834 1HB LYS 80 1HB LYS 80 10.192 10.661 0.049 1835 2HB LYS 80 2HB LYS 80 10.286 11.417 1.637 1836 1HG LYS 80 1HG LYS 80 7.784 10.131 0.444 1837 2HG LYS 80 2HG LYS 80 8.967 9.330 1.494 1838 1HD LYS 80 1HD LYS 80 8.468 11.024 3.291 1839 2HD LYS 80 2HD LYS 80 7.118 11.607 2.291 1840 1HE LYS 80 1HE LYS 80 6.137 9.329 2.265 1841 2HE LYS 80 2HE LYS 80 7.469 8.740 3.278 1842 1HZ LYS 80 1HZ LYS 80 5.536 9.235 4.550 1843 2HZ LYS 80 2HZ LYS 80 6.762 10.250 4.977 1844 3HZ LYS 80 3HZ LYS 80 5.524 10.799 4.034 1845 H ARG 81 H ARG 81 10.505 13.728 1.901 1846 HA ARG 81 HA ARG 81 8.573 14.635 3.749 1847 1HB ARG 81 1HB ARG 81 10.979 14.629 4.197 1848 2HB ARG 81 2HB ARG 81 11.248 15.821 2.938 1849 1HG ARG 81 1HG ARG 81 9.349 17.067 4.647 1850 2HG ARG 81 2HG ARG 81 10.409 16.178 5.733 1851 1HD ARG 81 1HD ARG 81 11.225 18.456 5.357 1852 2HD ARG 81 2HD ARG 81 12.383 17.272 4.706 1853 HE ARG 81 HE ARG 81 10.607 18.008 2.618 1854 1HH1 ARG 81 2HH2 ARG 81 13.106 19.500 4.610 1855 2HH1 ARG 81 1HH2 ARG 81 13.616 20.625 3.379 1856 1HH2 ARG 81 2HH1 ARG 81 11.329 19.403 0.951 1857 2HH2 ARG 81 1HH1 ARG 81 12.542 20.608 1.290 1858 H THR 82 H THR 82 9.880 16.248 0.815 1859 HA THR 82 HA THR 82 8.443 18.667 1.150 1860 HB THR 82 HB THR 82 9.309 17.423 -1.496 1861 HG1 THR 82 HG1 THR 82 11.045 17.529 -0.088 1862 1HG2 THR 82 1HG2 THR 82 9.528 19.784 -2.192 1863 2HG2 THR 82 2HG2 THR 82 7.851 19.413 -1.755 1864 3HG2 THR 82 3HG2 THR 82 8.885 20.319 -0.627 1865 H ARG 83 H ARG 83 7.533 15.687 -0.788 1866 HA ARG 83 HA ARG 83 5.051 16.797 -1.625 1867 1HB ARG 83 1HB ARG 83 5.985 13.923 -1.243 1868 2HB ARG 83 2HB ARG 83 4.425 14.379 -1.930 1869 1HG ARG 83 1HG ARG 83 5.664 15.778 -3.658 1870 2HG ARG 83 2HG ARG 83 7.159 15.026 -3.078 1871 1HD ARG 83 1HD ARG 83 4.723 13.652 -4.298 1872 2HD ARG 83 2HD ARG 83 6.294 13.809 -5.046 1873 HE ARG 83 HE ARG 83 5.449 11.887 -3.010 1874 1HH1 ARG 83 1HH2 ARG 83 8.250 13.517 -4.395 1875 2HH1 ARG 83 2HH2 ARG 83 9.364 12.211 -4.073 1876 1HH2 ARG 83 2HH1 ARG 83 6.918 10.235 -2.421 1877 2HH2 ARG 83 1HH1 ARG 83 8.615 10.386 -2.819 1878 H LEU 84 H LEU 84 5.957 14.954 1.320 1879 HA LEU 84 HA LEU 84 3.290 14.695 2.308 1880 1HB LEU 84 1HB LEU 84 5.252 13.412 3.158 1881 2HB LEU 84 2HB LEU 84 5.926 14.901 3.821 1882 HG LEU 84 HG LEU 84 3.945 15.108 5.341 1883 1HD1 LEU 84 1HD1 LEU 84 2.517 13.081 5.664 1884 2HD1 LEU 84 2HD1 LEU 84 2.242 13.842 4.097 1885 3HD1 LEU 84 3HD1 LEU 84 3.225 12.362 4.205 1886 1HD2 LEU 84 1HD2 LEU 84 5.469 12.479 5.517 1887 2HD2 LEU 84 2HD2 LEU 84 6.043 14.061 6.084 1888 3HD2 LEU 84 3HD2 LEU 84 4.638 13.303 6.853 1889 H GLY 85 H GLY 85 5.742 17.240 2.582 1890 1HA GLY 85 1HA GLY 85 4.847 18.916 4.511 1891 2HA GLY 85 2HA GLY 85 5.603 19.461 3.008 1892 H LEU 86 H LEU 86 3.325 18.600 1.268 1893 HA LEU 86 HA LEU 86 1.767 21.014 1.443 1894 1HB LEU 86 1HB LEU 86 1.280 18.394 -0.018 1895 2HB LEU 86 2HB LEU 86 0.227 19.794 -0.145 1896 HG LEU 86 HG LEU 86 1.486 19.879 -2.065 1897 1HD1 LEU 86 1HD1 LEU 86 1.307 22.066 -0.879 1898 2HD1 LEU 86 2HD1 LEU 86 2.975 21.836 -0.295 1899 3HD1 LEU 86 3HD1 LEU 86 2.646 21.947 -2.034 1900 1HD2 LEU 86 1HD2 LEU 86 4.075 19.561 -0.524 1901 2HD2 LEU 86 2HD2 LEU 86 3.244 18.300 -1.470 1902 3HD2 LEU 86 3HD2 LEU 86 3.885 19.734 -2.278 1903 H GLU 87 H GLU 87 1.320 17.802 2.866 1904 HA GLU 87 HA GLU 87 -0.446 16.822 3.914 1905 1HB GLU 87 1HB GLU 87 -0.655 19.590 5.166 1906 2HB GLU 87 2HB GLU 87 -1.281 18.074 5.840 1907 1HG GLU 87 1HG GLU 87 1.063 17.157 5.857 1908 2HG GLU 87 2HG GLU 87 1.654 18.737 5.327 Start of MODEL 10 1 1H SER 1 1H SER 1 7.470 5.484 -13.518 2 2H SER 1 2H SER 1 7.392 5.252 -15.138 3 3H SER 1 3H SER 1 8.822 5.698 -14.439 4 HA SER 1 HA SER 1 8.829 3.365 -14.980 5 1HB SER 1 1HB SER 1 9.546 2.518 -12.837 6 2HB SER 1 2HB SER 1 9.955 4.250 -12.861 7 HG SER 1 HG SER 1 8.903 4.121 -11.032 8 H GLU 2 H GLU 2 7.990 1.161 -14.135 9 HA GLU 2 HA GLU 2 5.191 0.850 -14.468 10 1HB GLU 2 1HB GLU 2 7.323 -0.833 -13.079 11 2HB GLU 2 2HB GLU 2 5.649 -1.381 -13.288 12 1HG GLU 2 1HG GLU 2 7.498 -0.602 -15.592 13 2HG GLU 2 2HG GLU 2 7.202 -2.255 -15.038 14 H LEU 3 H LEU 3 7.143 0.942 -11.429 15 HA LEU 3 HA LEU 3 4.848 0.686 -9.731 16 1HB LEU 3 1HB LEU 3 7.506 2.015 -9.072 17 2HB LEU 3 2HB LEU 3 6.254 1.484 -7.930 18 HG LEU 3 HG LEU 3 8.068 -0.252 -9.642 19 1HD1 LEU 3 1HD1 LEU 3 8.759 -1.099 -7.464 20 2HD1 LEU 3 2HD1 LEU 3 8.863 0.672 -7.410 21 3HD1 LEU 3 3HD1 LEU 3 7.507 -0.157 -6.636 22 1HD2 LEU 3 1HD2 LEU 3 5.880 -1.355 -9.747 23 2HD2 LEU 3 2HD2 LEU 3 5.666 -1.123 -7.991 24 3HD2 LEU 3 3HD2 LEU 3 6.920 -2.212 -8.604 25 H GLU 4 H GLU 4 6.645 3.623 -10.887 26 HA GLU 4 HA GLU 4 5.000 5.377 -9.347 27 1HB GLU 4 1HB GLU 4 6.737 5.854 -11.752 28 2HB GLU 4 2HB GLU 4 5.930 7.150 -10.852 29 1HG GLU 4 1HG GLU 4 7.060 6.620 -8.803 30 2HG GLU 4 2HG GLU 4 7.694 5.096 -9.425 31 H LYS 5 H LYS 5 4.589 3.981 -12.603 32 HA LYS 5 HA LYS 5 2.353 5.562 -13.395 33 1HB LYS 5 1HB LYS 5 3.542 4.262 -15.020 34 2HB LYS 5 2HB LYS 5 3.226 2.758 -14.153 35 1HG LYS 5 1HG LYS 5 1.829 2.957 -16.118 36 2HG LYS 5 2HG LYS 5 0.839 2.883 -14.659 37 1HD LYS 5 1HD LYS 5 0.526 5.357 -14.730 38 2HD LYS 5 2HD LYS 5 1.541 5.449 -16.180 39 1HE LYS 5 1HE LYS 5 -1.110 3.938 -15.915 40 2HE LYS 5 2HE LYS 5 -0.896 5.524 -16.670 41 1HZ LYS 5 1HZ LYS 5 0.313 3.016 -17.600 42 2HZ LYS 5 2HZ LYS 5 -0.945 3.816 -18.297 43 3HZ LYS 5 3HZ LYS 5 0.554 4.501 -18.277 44 H ALA 6 H ALA 6 2.604 2.334 -11.829 45 HA ALA 6 HA ALA 6 -0.122 1.852 -11.358 46 1HB ALA 6 1HB ALA 6 0.767 0.369 -9.509 47 2HB ALA 6 2HB ALA 6 1.609 0.173 -11.064 48 3HB ALA 6 3HB ALA 6 2.358 1.098 -9.761 49 H VAL 7 H VAL 7 2.235 3.569 -9.326 50 HA VAL 7 HA VAL 7 0.578 4.210 -7.131 51 HB VAL 7 HB VAL 7 3.083 5.350 -8.353 52 1HG1 VAL 7 1HG1 VAL 7 1.897 6.378 -5.783 53 2HG1 VAL 7 2HG1 VAL 7 3.501 6.725 -6.430 54 3HG1 VAL 7 3HG1 VAL 7 2.070 7.306 -7.291 55 1HG2 VAL 7 1HG2 VAL 7 4.136 4.368 -6.370 56 2HG2 VAL 7 2HG2 VAL 7 2.545 3.944 -5.708 57 3HG2 VAL 7 3HG2 VAL 7 3.136 3.132 -7.151 58 H VAL 8 H VAL 8 1.307 6.301 -10.071 59 HA VAL 8 HA VAL 8 -0.528 8.282 -9.087 60 HB VAL 8 HB VAL 8 -0.376 9.395 -11.188 61 1HG1 VAL 8 1HG1 VAL 8 2.348 8.423 -10.230 62 2HG1 VAL 8 2HG1 VAL 8 2.012 9.907 -11.139 63 3HG1 VAL 8 3HG1 VAL 8 1.380 9.714 -9.495 64 1HG2 VAL 8 1HG2 VAL 8 -0.329 7.528 -12.781 65 2HG2 VAL 8 2HG2 VAL 8 1.050 8.610 -13.022 66 3HG2 VAL 8 3HG2 VAL 8 1.278 7.067 -12.189 67 H ALA 9 H ALA 9 -0.917 5.454 -11.242 68 HA ALA 9 HA ALA 9 -3.585 5.925 -12.037 69 1HB ALA 9 1HB ALA 9 -3.768 3.453 -12.169 70 2HB ALA 9 2HB ALA 9 -2.309 4.087 -12.963 71 3HB ALA 9 3HB ALA 9 -2.203 3.290 -11.381 72 H LEU 10 H LEU 10 -2.390 4.270 -9.033 73 HA LEU 10 HA LEU 10 -4.945 3.875 -7.858 74 1HB LEU 10 1HB LEU 10 -2.117 3.975 -6.888 75 2HB LEU 10 2HB LEU 10 -3.331 4.423 -5.693 76 HG LEU 10 HG LEU 10 -4.575 2.318 -6.137 77 1HD1 LEU 10 1HD1 LEU 10 -3.450 0.476 -7.296 78 2HD1 LEU 10 2HD1 LEU 10 -3.676 1.821 -8.428 79 3HD1 LEU 10 3HD1 LEU 10 -2.078 1.526 -7.703 80 1HD2 LEU 10 1HD2 LEU 10 -2.943 0.902 -4.909 81 2HD2 LEU 10 2HD2 LEU 10 -1.669 2.091 -5.253 82 3HD2 LEU 10 3HD2 LEU 10 -3.068 2.542 -4.248 83 H ILE 11 H ILE 11 -2.726 6.694 -7.511 84 HA ILE 11 HA ILE 11 -4.435 8.140 -5.760 85 HB ILE 11 HB ILE 11 -2.369 9.099 -7.777 86 1HG1 ILE 11 1HG1 ILE 11 -2.245 8.783 -4.739 87 2HG1 ILE 11 2HG1 ILE 11 -1.575 7.646 -5.901 88 1HG2 ILE 11 1HG2 ILE 11 -3.718 10.723 -5.579 89 2HG2 ILE 11 2HG2 ILE 11 -2.361 11.260 -6.590 90 3HG2 ILE 11 3HG2 ILE 11 -3.922 10.958 -7.324 91 1HD1 ILE 11 1HD1 ILE 11 -0.117 9.519 -6.791 92 2HD1 ILE 11 2HD1 ILE 11 -0.647 10.493 -5.394 93 3HD1 ILE 11 3HD1 ILE 11 0.216 8.972 -5.139 94 H ASP 12 H ASP 12 -4.170 8.335 -9.308 95 HA ASP 12 HA ASP 12 -6.152 10.314 -9.695 96 1HB ASP 12 1HB ASP 12 -4.793 8.230 -11.435 97 2HB ASP 12 2HB ASP 12 -6.206 9.087 -12.067 98 H VAL 13 H VAL 13 -6.459 6.722 -9.895 99 HA VAL 13 HA VAL 13 -9.250 6.721 -10.491 100 HB VAL 13 HB VAL 13 -7.461 4.668 -9.126 101 1HG1 VAL 13 1HG1 VAL 13 -9.730 4.227 -8.355 102 2HG1 VAL 13 2HG1 VAL 13 -10.378 4.439 -9.997 103 3HG1 VAL 13 3HG1 VAL 13 -9.329 3.060 -9.618 104 1HG2 VAL 13 1HG2 VAL 13 -7.594 3.538 -11.286 105 2HG2 VAL 13 2HG2 VAL 13 -8.748 4.739 -11.899 106 3HG2 VAL 13 3HG2 VAL 13 -7.068 5.201 -11.585 107 H PHE 14 H PHE 14 -7.556 6.389 -7.290 108 HA PHE 14 HA PHE 14 -9.946 6.252 -5.791 109 1HB PHE 14 1HB PHE 14 -7.748 5.730 -4.849 110 2HB PHE 14 2HB PHE 14 -7.256 7.416 -4.984 111 HD1 PHE 14 HD1 PHE 14 -9.258 5.010 -3.035 112 HD2 PHE 14 HD2 PHE 14 -8.362 9.195 -3.581 113 HE1 PHE 14 HE1 PHE 14 -10.019 5.506 -0.715 114 HE2 PHE 14 HE2 PHE 14 -9.230 9.686 -1.358 115 HZ PHE 14 HZ PHE 14 -9.934 7.813 0.159 116 H HIS 15 H HIS 15 -7.936 9.163 -6.557 117 HA HIS 15 HA HIS 15 -9.454 10.950 -5.075 118 1HB HIS 15 1HB HIS 15 -7.208 11.373 -6.002 119 2HB HIS 15 2HB HIS 15 -7.955 11.712 -7.572 120 HD1 HIS 15 HD1 HIS 15 -10.503 13.243 -5.846 121 HD2 HIS 15 HD2 HIS 15 -6.353 13.945 -5.773 122 HE1 HIS 15 HE1 HIS 15 -10.177 15.641 -5.049 123 H GLN 16 H GLN 16 -9.871 9.995 -8.541 124 HA GLN 16 HA GLN 16 -11.983 11.795 -9.156 125 1HB GLN 16 1HB GLN 16 -11.345 8.975 -10.100 126 2HB GLN 16 2HB GLN 16 -12.701 9.909 -10.746 127 1HG GLN 16 1HG GLN 16 -11.300 11.617 -11.614 128 2HG GLN 16 2HG GLN 16 -9.870 10.993 -10.778 129 1HE2 GLN 16 1HE2 GLN 16 -9.112 8.833 -11.378 130 2HE2 GLN 16 2HE2 GLN 16 -9.315 8.278 -13.047 131 H TYR 17 H TYR 17 -12.150 8.482 -7.752 132 HA TYR 17 HA TYR 17 -15.033 8.474 -7.661 133 1HB TYR 17 1HB TYR 17 -12.883 6.707 -6.538 134 2HB TYR 17 2HB TYR 17 -14.569 6.500 -6.079 135 HD1 TYR 17 HD1 TYR 17 -12.602 6.982 -9.287 136 HD2 TYR 17 HD2 TYR 17 -15.903 5.029 -7.313 137 HE1 TYR 17 HE1 TYR 17 -12.776 5.424 -11.160 138 HE2 TYR 17 HE2 TYR 17 -16.079 3.458 -9.238 139 HH TYR 17 HH TYR 17 -13.579 3.271 -11.689 140 H SER 18 H SER 18 -12.574 8.812 -5.077 141 HA SER 18 HA SER 18 -14.315 9.350 -2.891 142 1HB SER 18 1HB SER 18 -12.307 10.298 -1.854 143 2HB SER 18 2HB SER 18 -11.962 8.762 -2.641 144 HG SER 18 HG SER 18 -11.066 9.863 -4.345 145 H GLY 19 H GLY 19 -13.096 11.502 -5.465 146 1HA GLY 19 1HA GLY 19 -13.867 13.975 -4.318 147 2HA GLY 19 2HA GLY 19 -13.634 13.610 -6.037 148 H ARG 20 H ARG 20 -15.771 11.416 -5.962 149 HA ARG 20 HA ARG 20 -17.900 13.249 -6.694 150 1HB ARG 20 1HB ARG 20 -18.347 10.284 -6.455 151 2HB ARG 20 2HB ARG 20 -19.063 11.467 -7.553 152 1HG ARG 20 1HG ARG 20 -16.553 11.669 -8.469 153 2HG ARG 20 2HG ARG 20 -16.368 10.162 -7.602 154 1HD ARG 20 1HD ARG 20 -18.498 9.339 -8.817 155 2HD ARG 20 2HD ARG 20 -18.143 10.607 -9.995 156 HE ARG 20 HE ARG 20 -16.838 8.058 -9.581 157 1HH1 ARG 20 1HH1 ARG 20 -16.109 11.351 -10.567 158 2HH1 ARG 20 2HH1 ARG 20 -14.794 10.913 -11.629 159 1HH2 ARG 20 1HH2 ARG 20 -15.060 7.453 -10.847 160 2HH2 ARG 20 2HH2 ARG 20 -14.182 8.634 -11.781 161 H GLU 21 H GLU 21 -17.495 10.746 -4.128 162 HA GLU 21 HA GLU 21 -19.263 12.315 -2.384 163 1HB GLU 21 1HB GLU 21 -19.876 9.392 -2.913 164 2HB GLU 21 2HB GLU 21 -20.662 10.454 -1.745 165 1HG GLU 21 1HG GLU 21 -21.463 11.892 -3.634 166 2HG GLU 21 2HG GLU 21 -20.747 10.747 -4.783 167 H GLY 22 H GLY 22 -18.295 12.512 -0.519 168 1HA GLY 22 1HA GLY 22 -17.581 11.171 1.482 169 2HA GLY 22 2HA GLY 22 -16.309 10.498 0.448 170 H ASP 23 H ASP 23 -14.483 11.770 0.004 171 HA ASP 23 HA ASP 23 -14.521 14.658 0.174 172 1HB ASP 23 1HB ASP 23 -14.326 14.364 2.557 173 2HB ASP 23 2HB ASP 23 -13.237 12.990 2.373 174 H LYS 24 H LYS 24 -12.274 15.439 -0.463 175 HA LYS 24 HA LYS 24 -11.188 14.170 -2.674 176 1HB LYS 24 1HB LYS 24 -9.729 15.878 -0.614 177 2HB LYS 24 2HB LYS 24 -9.162 15.481 -2.242 178 1HG LYS 24 1HG LYS 24 -11.162 16.680 -3.198 179 2HG LYS 24 2HG LYS 24 -11.645 17.112 -1.556 180 1HD LYS 24 1HD LYS 24 -10.511 19.005 -2.441 181 2HD LYS 24 2HD LYS 24 -9.441 18.274 -1.237 182 1HE LYS 24 1HE LYS 24 -8.141 17.193 -3.114 183 2HE LYS 24 2HE LYS 24 -9.221 17.966 -4.280 184 1HZ LYS 24 1HZ LYS 24 -7.164 19.156 -3.928 185 2HZ LYS 24 2HZ LYS 24 -8.464 20.075 -3.492 186 3HZ LYS 24 3HZ LYS 24 -7.523 19.369 -2.338 187 H HIS 25 H HIS 25 -10.469 13.469 0.735 188 HA HIS 25 HA HIS 25 -8.344 11.536 -0.046 189 1HB HIS 25 1HB HIS 25 -8.034 13.487 1.625 190 2HB HIS 25 2HB HIS 25 -9.020 12.541 2.729 191 HD1 HIS 25 HD1 HIS 25 -5.627 12.447 0.915 192 HD2 HIS 25 HD2 HIS 25 -7.789 10.487 3.949 193 HE1 HIS 25 HE1 HIS 25 -3.988 10.876 2.086 194 H LYS 26 H LYS 26 -11.672 11.233 0.289 195 HA LYS 26 HA LYS 26 -11.442 8.684 1.763 196 1HB LYS 26 1HB LYS 26 -13.539 10.695 2.546 197 2HB LYS 26 2HB LYS 26 -13.072 9.202 3.372 198 1HG LYS 26 1HG LYS 26 -10.843 10.256 3.899 199 2HG LYS 26 2HG LYS 26 -11.419 11.760 3.153 200 1HD LYS 26 1HD LYS 26 -13.391 11.654 4.806 201 2HD LYS 26 2HD LYS 26 -12.457 10.418 5.663 202 1HE LYS 26 1HE LYS 26 -11.623 13.305 5.070 203 2HE LYS 26 2HE LYS 26 -12.064 12.628 6.645 204 1HZ LYS 26 1HZ LYS 26 -9.726 12.758 6.445 205 2HZ LYS 26 2HZ LYS 26 -10.158 11.166 6.449 206 3HZ LYS 26 3HZ LYS 26 -9.719 11.895 5.038 207 H LEU 27 H LEU 27 -12.716 7.105 0.942 208 HA LEU 27 HA LEU 27 -14.615 7.754 -1.280 209 1HB LEU 27 1HB LEU 27 -13.434 5.185 -0.156 210 2HB LEU 27 2HB LEU 27 -14.776 5.168 -1.299 211 HG LEU 27 HG LEU 27 -12.148 6.491 -1.965 212 1HD1 LEU 27 1HD1 LEU 27 -11.798 4.059 -1.451 213 2HD1 LEU 27 2HD1 LEU 27 -13.127 3.654 -2.554 214 3HD1 LEU 27 3HD1 LEU 27 -11.637 4.368 -3.194 215 1HD2 LEU 27 1HD2 LEU 27 -14.194 7.054 -3.362 216 2HD2 LEU 27 2HD2 LEU 27 -12.883 6.257 -4.248 217 3HD2 LEU 27 3HD2 LEU 27 -14.321 5.335 -3.765 218 H LYS 28 H LYS 28 -16.787 8.089 -0.731 219 HA LYS 28 HA LYS 28 -17.860 6.954 1.726 220 1HB LYS 28 1HB LYS 28 -18.621 9.086 0.520 221 2HB LYS 28 2HB LYS 28 -19.408 8.033 -0.659 222 1HG LYS 28 1HG LYS 28 -20.993 8.870 0.939 223 2HG LYS 28 2HG LYS 28 -20.853 7.137 1.205 224 1HD LYS 28 1HD LYS 28 -19.401 7.546 3.187 225 2HD LYS 28 2HD LYS 28 -19.309 9.272 2.768 226 1HE LYS 28 1HE LYS 28 -21.741 9.489 3.217 227 2HE LYS 28 2HE LYS 28 -21.792 7.782 3.704 228 1HZ LYS 28 1HZ LYS 28 -21.540 9.258 5.570 229 2HZ LYS 28 2HZ LYS 28 -20.198 8.313 5.428 230 3HZ LYS 28 3HZ LYS 28 -20.150 9.883 4.948 231 H LYS 29 H LYS 29 -19.678 5.369 1.723 232 HA LYS 29 HA LYS 29 -18.822 2.976 0.626 233 1HB LYS 29 1HB LYS 29 -20.916 1.991 1.362 234 2HB LYS 29 2HB LYS 29 -20.229 3.048 2.589 235 1HG LYS 29 1HG LYS 29 -21.850 4.850 1.888 236 2HG LYS 29 2HG LYS 29 -22.567 3.703 0.732 237 1HD LYS 29 1HD LYS 29 -23.031 2.129 2.611 238 2HD LYS 29 2HD LYS 29 -22.407 3.322 3.762 239 1HE LYS 29 1HE LYS 29 -24.798 3.714 1.887 240 2HE LYS 29 2HE LYS 29 -24.889 3.337 3.614 241 1HZ LYS 29 1HZ LYS 29 -25.169 5.648 3.238 242 2HZ LYS 29 2HZ LYS 29 -23.767 5.397 4.067 243 3HZ LYS 29 3HZ LYS 29 -23.723 5.768 2.461 244 H SER 30 H SER 30 -21.130 5.190 -0.904 245 HA SER 30 HA SER 30 -22.070 3.523 -2.990 246 1HB SER 30 1HB SER 30 -21.960 5.984 -4.087 247 2HB SER 30 2HB SER 30 -23.111 5.614 -2.790 248 HG SER 30 HG SER 30 -21.819 7.540 -2.435 249 H GLU 31 H GLU 31 -19.190 5.612 -2.632 250 HA GLU 31 HA GLU 31 -18.235 5.166 -5.316 251 1HB GLU 31 1HB GLU 31 -16.688 6.271 -2.941 252 2HB GLU 31 2HB GLU 31 -16.331 6.459 -4.667 253 1HG GLU 31 1HG GLU 31 -18.691 7.590 -3.144 254 2HG GLU 31 2HG GLU 31 -17.360 8.496 -3.866 255 H LEU 32 H LEU 32 -17.277 3.983 -2.087 256 HA LEU 32 HA LEU 32 -15.154 2.321 -2.909 257 1HB LEU 32 1HB LEU 32 -15.663 2.995 -0.612 258 2HB LEU 32 2HB LEU 32 -17.113 1.976 -0.598 259 HG LEU 32 HG LEU 32 -15.033 1.175 0.618 260 1HD1 LEU 32 1HD1 LEU 32 -15.391 -1.161 0.130 261 2HD1 LEU 32 2HD1 LEU 32 -16.923 -0.281 0.205 262 3HD1 LEU 32 3HD1 LEU 32 -16.253 -0.764 -1.366 263 1HD2 LEU 32 1HD2 LEU 32 -13.362 1.725 -1.096 264 2HD2 LEU 32 2HD2 LEU 32 -13.286 0.034 -0.580 265 3HD2 LEU 32 3HD2 LEU 32 -14.013 0.444 -2.144 266 H LYS 33 H LYS 33 -18.649 1.565 -2.558 267 HA LYS 33 HA LYS 33 -18.607 -1.142 -3.277 268 1HB LYS 33 1HB LYS 33 -20.516 -0.033 -2.327 269 2HB LYS 33 2HB LYS 33 -20.641 1.081 -3.669 270 1HG LYS 33 1HG LYS 33 -21.258 -0.855 -5.182 271 2HG LYS 33 2HG LYS 33 -21.228 -1.907 -3.752 272 1HD LYS 33 1HD LYS 33 -22.918 -0.351 -2.678 273 2HD LYS 33 2HD LYS 33 -22.938 0.599 -4.169 274 1HE LYS 33 1HE LYS 33 -24.855 -0.881 -4.149 275 2HE LYS 33 2HE LYS 33 -23.751 -1.413 -5.426 276 1HZ LYS 33 1HZ LYS 33 -23.017 -3.168 -4.047 277 2HZ LYS 33 2HZ LYS 33 -23.815 -2.573 -2.726 278 3HZ LYS 33 3HZ LYS 33 -24.661 -3.177 -3.993 279 H GLU 34 H GLU 34 -19.222 1.698 -5.437 280 HA GLU 34 HA GLU 34 -19.423 -0.035 -7.750 281 1HB GLU 34 1HB GLU 34 -19.626 1.977 -9.068 282 2HB GLU 34 2HB GLU 34 -20.619 2.102 -7.608 283 1HG GLU 34 1HG GLU 34 -18.727 3.440 -6.568 284 2HG GLU 34 2HG GLU 34 -17.958 3.478 -8.145 285 H LEU 35 H LEU 35 -16.795 1.943 -6.384 286 HA LEU 35 HA LEU 35 -14.820 1.538 -8.337 287 1HB LEU 35 1HB LEU 35 -14.614 3.014 -6.405 288 2HB LEU 35 2HB LEU 35 -14.665 1.650 -5.302 289 HG LEU 35 HG LEU 35 -12.463 2.645 -5.536 290 1HD1 LEU 35 1HD1 LEU 35 -11.108 0.732 -5.765 291 2HD1 LEU 35 2HD1 LEU 35 -12.642 0.168 -5.093 292 3HD1 LEU 35 3HD1 LEU 35 -12.226 -0.102 -6.808 293 1HD2 LEU 35 1HD2 LEU 35 -12.471 1.798 -8.459 294 2HD2 LEU 35 2HD2 LEU 35 -12.659 3.461 -7.855 295 3HD2 LEU 35 3HD2 LEU 35 -11.157 2.580 -7.557 296 H ILE 36 H ILE 36 -15.592 -0.574 -5.462 297 HA ILE 36 HA ILE 36 -13.680 -2.528 -6.233 298 HB ILE 36 HB ILE 36 -16.086 -2.655 -4.395 299 1HG1 ILE 36 1HG1 ILE 36 -13.045 -2.655 -3.993 300 2HG1 ILE 36 2HG1 ILE 36 -14.130 -1.297 -3.711 301 1HG2 ILE 36 1HG2 ILE 36 -15.804 -4.936 -5.264 302 2HG2 ILE 36 2HG2 ILE 36 -14.054 -4.840 -4.989 303 3HG2 ILE 36 3HG2 ILE 36 -15.168 -4.860 -3.627 304 1HD1 ILE 36 1HD1 ILE 36 -15.319 -2.780 -1.978 305 2HD1 ILE 36 2HD1 ILE 36 -13.926 -3.873 -2.120 306 3HD1 ILE 36 3HD1 ILE 36 -13.680 -2.215 -1.577 307 H ASN 37 H ASN 37 -17.228 -2.511 -6.756 308 HA ASN 37 HA ASN 37 -17.484 -4.912 -8.201 309 1HB ASN 37 1HB ASN 37 -18.926 -2.237 -8.390 310 2HB ASN 37 2HB ASN 37 -19.301 -3.563 -9.504 311 1HD2 ASN 37 2HD2 ASN 37 -19.255 -2.752 -5.997 312 2HD2 ASN 37 1HD2 ASN 37 -20.519 -3.927 -5.599 313 H ASN 38 H ASN 38 -16.650 -1.681 -9.443 314 HA ASN 38 HA ASN 38 -16.602 -2.505 -12.200 315 1HB ASN 38 1HB ASN 38 -17.277 -0.274 -11.407 316 2HB ASN 38 2HB ASN 38 -15.639 0.004 -10.763 317 1HD2 ASN 38 1HD2 ASN 38 -15.554 1.947 -12.042 318 2HD2 ASN 38 2HD2 ASN 38 -15.269 1.819 -13.773 319 H GLU 39 H GLU 39 -14.023 -1.456 -9.914 320 HA GLU 39 HA GLU 39 -11.992 -2.235 -11.929 321 1HB GLU 39 1HB GLU 39 -11.759 -0.295 -9.613 322 2HB GLU 39 2HB GLU 39 -10.520 -0.695 -10.810 323 1HG GLU 39 1HG GLU 39 -12.304 0.013 -12.600 324 2HG GLU 39 2HG GLU 39 -13.161 0.750 -11.242 325 H LEU 40 H LEU 40 -13.206 -3.591 -9.037 326 HA LEU 40 HA LEU 40 -10.605 -5.046 -8.716 327 1HB LEU 40 1HB LEU 40 -11.905 -3.854 -6.700 328 2HB LEU 40 2HB LEU 40 -12.864 -5.331 -6.794 329 HG LEU 40 HG LEU 40 -10.680 -6.607 -6.503 330 1HD1 LEU 40 1HD1 LEU 40 -9.619 -3.799 -5.906 331 2HD1 LEU 40 2HD1 LEU 40 -8.780 -5.307 -5.511 332 3HD1 LEU 40 3HD1 LEU 40 -9.037 -4.869 -7.200 333 1HD2 LEU 40 1HD2 LEU 40 -10.568 -6.048 -4.061 334 2HD2 LEU 40 2HD2 LEU 40 -11.528 -4.587 -4.391 335 3HD2 LEU 40 3HD2 LEU 40 -12.228 -6.189 -4.659 336 H SER 41 H SER 41 -12.558 -5.233 -10.917 337 HA SER 41 HA SER 41 -14.530 -7.182 -10.605 338 1HB SER 41 1HB SER 41 -14.220 -6.971 -13.252 339 2HB SER 41 2HB SER 41 -14.850 -5.637 -12.275 340 HG SER 41 HG SER 41 -13.274 -4.543 -13.077 341 H HIS 42 H HIS 42 -11.198 -7.419 -11.947 342 HA HIS 42 HA HIS 42 -11.520 -10.138 -12.829 343 1HB HIS 42 1HB HIS 42 -9.734 -8.601 -13.618 344 2HB HIS 42 2HB HIS 42 -8.956 -8.705 -12.034 345 HD1 HIS 42 HD1 HIS 42 -9.772 -12.094 -12.217 346 HD2 HIS 42 HD2 HIS 42 -7.251 -9.580 -14.466 347 HE1 HIS 42 HE1 HIS 42 -8.024 -13.601 -13.321 348 H PHE 43 H PHE 43 -10.353 -8.662 -9.804 349 HA PHE 43 HA PHE 43 -9.480 -11.161 -8.646 350 1HB PHE 43 1HB PHE 43 -9.950 -8.436 -7.432 351 2HB PHE 43 2HB PHE 43 -9.243 -9.808 -6.586 352 HD1 PHE 43 HD1 PHE 43 -7.869 -9.898 -9.897 353 HD2 PHE 43 HD2 PHE 43 -7.665 -7.799 -6.135 354 HE1 PHE 43 HE1 PHE 43 -5.705 -8.931 -10.550 355 HE2 PHE 43 HE2 PHE 43 -5.380 -7.027 -6.690 356 HZ PHE 43 HZ PHE 43 -4.504 -7.389 -9.019 357 H LEU 44 H LEU 44 -12.191 -8.895 -7.820 358 HA LEU 44 HA LEU 44 -13.486 -11.092 -6.271 359 1HB LEU 44 1HB LEU 44 -13.459 -8.080 -5.921 360 2HB LEU 44 2HB LEU 44 -14.817 -9.057 -5.365 361 HG LEU 44 HG LEU 44 -13.268 -10.518 -4.088 362 1HD1 LEU 44 1HD1 LEU 44 -11.108 -10.087 -5.082 363 2HD1 LEU 44 2HD1 LEU 44 -11.277 -8.329 -4.865 364 3HD1 LEU 44 3HD1 LEU 44 -11.036 -9.395 -3.463 365 1HD2 LEU 44 1HD2 LEU 44 -13.336 -7.580 -3.287 366 2HD2 LEU 44 2HD2 LEU 44 -14.605 -8.781 -3.000 367 3HD2 LEU 44 3HD2 LEU 44 -13.036 -8.954 -2.202 368 H GLU 45 H GLU 45 -15.584 -11.529 -6.591 369 HA GLU 45 HA GLU 45 -16.808 -10.734 -9.156 370 1HB GLU 45 1HB GLU 45 -17.769 -12.482 -6.856 371 2HB GLU 45 2HB GLU 45 -18.704 -12.167 -8.325 372 1HG GLU 45 1HG GLU 45 -16.979 -13.166 -9.739 373 2HG GLU 45 2HG GLU 45 -15.896 -13.376 -8.357 374 H GLU 46 H GLU 46 -19.103 -9.862 -9.069 375 HA GLU 46 HA GLU 46 -19.043 -7.307 -8.012 376 1HB GLU 46 1HB GLU 46 -21.270 -7.065 -8.861 377 2HB GLU 46 2HB GLU 46 -20.350 -8.071 -9.986 378 1HG GLU 46 1HG GLU 46 -21.359 -10.103 -8.869 379 2HG GLU 46 2HG GLU 46 -22.245 -8.997 -7.816 380 H ILE 47 H ILE 47 -20.469 -6.252 -6.634 381 HA ILE 47 HA ILE 47 -21.104 -7.743 -4.130 382 HB ILE 47 HB ILE 47 -19.662 -5.075 -4.015 383 1HG1 ILE 47 1HG1 ILE 47 -18.542 -7.850 -4.327 384 2HG1 ILE 47 2HG1 ILE 47 -18.074 -6.354 -5.158 385 1HG2 ILE 47 1HG2 ILE 47 -19.288 -5.821 -1.702 386 2HG2 ILE 47 2HG2 ILE 47 -21.014 -5.891 -2.069 387 3HG2 ILE 47 3HG2 ILE 47 -20.041 -7.371 -2.059 388 1HD1 ILE 47 1HD1 ILE 47 -17.205 -5.514 -2.942 389 2HD1 ILE 47 2HD1 ILE 47 -17.474 -7.147 -2.283 390 3HD1 ILE 47 3HD1 ILE 47 -16.345 -6.922 -3.626 391 H LYS 48 H LYS 48 -23.227 -7.632 -4.435 392 HA LYS 48 HA LYS 48 -24.708 -5.192 -4.918 393 1HB LYS 48 1HB LYS 48 -26.660 -6.596 -4.631 394 2HB LYS 48 2HB LYS 48 -25.477 -7.374 -5.690 395 1HG LYS 48 1HG LYS 48 -24.725 -8.776 -3.690 396 2HG LYS 48 2HG LYS 48 -26.065 -8.059 -2.771 397 1HD LYS 48 1HD LYS 48 -27.674 -8.962 -4.418 398 2HD LYS 48 2HD LYS 48 -26.334 -9.646 -5.362 399 1HE LYS 48 1HE LYS 48 -25.668 -11.046 -3.410 400 2HE LYS 48 2HE LYS 48 -27.013 -10.368 -2.469 401 1HZ LYS 48 1HZ LYS 48 -27.550 -12.481 -3.421 402 2HZ LYS 48 2HZ LYS 48 -28.515 -11.310 -4.068 403 3HZ LYS 48 3HZ LYS 48 -27.263 -11.928 -4.945 404 H GLU 49 H GLU 49 -23.593 -6.961 -2.061 405 HA GLU 49 HA GLU 49 -25.577 -5.913 -0.281 406 1HB GLU 49 1HB GLU 49 -22.930 -7.300 0.231 407 2HB GLU 49 2HB GLU 49 -24.070 -6.792 1.493 408 1HG GLU 49 1HG GLU 49 -25.856 -8.163 0.418 409 2HG GLU 49 2HG GLU 49 -24.647 -8.819 -0.697 410 H GLN 50 H GLN 50 -25.532 -3.683 -0.697 411 HA GLN 50 HA GLN 50 -23.673 -1.741 -0.093 412 1HB GLN 50 1HB GLN 50 -26.610 -1.884 0.602 413 2HB GLN 50 2HB GLN 50 -25.628 -0.431 0.848 414 1HG GLN 50 1HG GLN 50 -25.040 -0.313 -1.506 415 2HG GLN 50 2HG GLN 50 -25.902 -1.824 -1.853 416 1HE2 GLN 50 1HE2 GLN 50 -28.318 -1.824 -1.290 417 2HE2 GLN 50 2HE2 GLN 50 -29.168 -0.317 -1.584 418 H GLU 51 H GLU 51 -25.197 -3.953 2.167 419 HA GLU 51 HA GLU 51 -24.465 -2.636 4.628 420 1HB GLU 51 1HB GLU 51 -25.038 -5.603 4.142 421 2HB GLU 51 2HB GLU 51 -25.070 -4.723 5.664 422 1HG GLU 51 1HG GLU 51 -27.331 -4.960 5.075 423 2HG GLU 51 2HG GLU 51 -26.942 -3.278 4.704 424 H VAL 52 H VAL 52 -22.961 -5.140 2.534 425 HA VAL 52 HA VAL 52 -20.916 -5.710 4.554 426 HB VAL 52 HB VAL 52 -21.308 -6.778 1.739 427 1HG1 VAL 52 1HG1 VAL 52 -18.932 -6.906 2.275 428 2HG1 VAL 52 2HG1 VAL 52 -19.293 -7.525 3.903 429 3HG1 VAL 52 3HG1 VAL 52 -19.636 -8.512 2.475 430 1HG2 VAL 52 1HG2 VAL 52 -21.734 -8.011 4.512 431 2HG2 VAL 52 2HG2 VAL 52 -23.035 -7.489 3.434 432 3HG2 VAL 52 3HG2 VAL 52 -21.988 -8.835 2.964 433 H VAL 53 H VAL 53 -21.078 -3.978 1.341 434 HA VAL 53 HA VAL 53 -18.343 -3.312 1.255 435 HB VAL 53 HB VAL 53 -18.953 -1.461 -0.123 436 1HG1 VAL 53 1HG1 VAL 53 -20.112 -2.667 -1.888 437 2HG1 VAL 53 2HG1 VAL 53 -18.950 -3.714 -1.065 438 3HG1 VAL 53 3HG1 VAL 53 -20.699 -3.869 -0.730 439 1HG2 VAL 53 1HG2 VAL 53 -20.868 -0.453 0.929 440 2HG2 VAL 53 2HG2 VAL 53 -21.418 -1.053 -0.641 441 3HG2 VAL 53 3HG2 VAL 53 -21.733 -2.007 0.804 442 H ASP 54 H ASP 54 -21.082 -1.692 2.946 443 HA ASP 54 HA ASP 54 -19.579 0.366 4.161 444 1HB ASP 54 1HB ASP 54 -22.031 0.321 4.134 445 2HB ASP 54 2HB ASP 54 -22.038 -1.053 5.247 446 H LYS 55 H LYS 55 -20.333 -2.970 5.416 447 HA LYS 55 HA LYS 55 -18.982 -2.592 7.833 448 1HB LYS 55 1HB LYS 55 -20.515 -4.494 7.237 449 2HB LYS 55 2HB LYS 55 -19.217 -5.189 6.260 450 1HG LYS 55 1HG LYS 55 -19.258 -6.343 8.324 451 2HG LYS 55 2HG LYS 55 -17.796 -5.350 8.346 452 1HD LYS 55 1HD LYS 55 -18.986 -3.648 9.747 453 2HD LYS 55 2HD LYS 55 -20.455 -4.631 9.686 454 1HE LYS 55 1HE LYS 55 -17.772 -5.468 10.904 455 2HE LYS 55 2HE LYS 55 -19.175 -4.880 11.808 456 1HZ LYS 55 1HZ LYS 55 -19.090 -7.332 10.198 457 2HZ LYS 55 2HZ LYS 55 -19.079 -7.237 11.841 458 3HZ LYS 55 3HZ LYS 55 -20.413 -6.763 11.001 459 H VAL 56 H VAL 56 -17.654 -3.985 4.782 460 HA VAL 56 HA VAL 56 -15.149 -4.640 5.958 461 HB VAL 56 HB VAL 56 -14.319 -5.148 3.780 462 1HG1 VAL 56 1HG1 VAL 56 -15.967 -6.806 3.031 463 2HG1 VAL 56 2HG1 VAL 56 -15.822 -6.794 4.797 464 3HG1 VAL 56 3HG1 VAL 56 -17.222 -6.052 4.009 465 1HG2 VAL 56 1HG2 VAL 56 -16.767 -3.778 2.671 466 2HG2 VAL 56 2HG2 VAL 56 -15.084 -3.278 2.440 467 3HG2 VAL 56 3HG2 VAL 56 -15.663 -4.787 1.722 468 H MET 57 H MET 57 -16.259 -1.635 4.403 469 HA MET 57 HA MET 57 -13.548 -0.495 4.559 470 1HB MET 57 1HB MET 57 -14.449 1.474 3.660 471 2HB MET 57 2HB MET 57 -15.140 0.105 2.785 472 1HG MET 57 1HG MET 57 -17.148 0.334 4.336 473 2HG MET 57 2HG MET 57 -16.503 1.896 4.836 474 1HE MET 57 1HE MET 57 -15.330 2.986 2.045 475 2HE MET 57 2HE MET 57 -16.752 3.890 1.502 476 3HE MET 57 3HE MET 57 -16.288 3.917 3.220 477 H GLU 58 H GLU 58 -16.617 -0.252 6.428 478 HA GLU 58 HA GLU 58 -15.929 1.800 8.179 479 1HB GLU 58 1HB GLU 58 -18.170 0.892 8.073 480 2HB GLU 58 2HB GLU 58 -17.613 -0.700 8.624 481 1HG GLU 58 1HG GLU 58 -17.047 0.238 10.834 482 2HG GLU 58 2HG GLU 58 -17.490 1.854 10.266 483 H THR 59 H THR 59 -15.323 -1.726 8.534 484 HA THR 59 HA THR 59 -14.068 -1.563 11.045 485 HB THR 59 HB THR 59 -14.769 -3.674 10.026 486 HG1 THR 59 HG1 THR 59 -12.157 -3.325 10.993 487 1HG2 THR 59 1HG2 THR 59 -12.272 -3.504 8.291 488 2HG2 THR 59 2HG2 THR 59 -13.373 -4.879 8.446 489 3HG2 THR 59 3HG2 THR 59 -13.947 -3.367 7.736 490 H LEU 60 H LEU 60 -12.769 -0.438 8.000 491 HA LEU 60 HA LEU 60 -9.999 -0.377 9.099 492 1HB LEU 60 1HB LEU 60 -10.878 0.469 6.313 493 2HB LEU 60 2HB LEU 60 -9.263 0.088 6.923 494 HG LEU 60 HG LEU 60 -11.531 -1.894 6.547 495 1HD1 LEU 60 1HD1 LEU 60 -10.513 -1.097 4.458 496 2HD1 LEU 60 2HD1 LEU 60 -8.899 -1.535 5.064 497 3HD1 LEU 60 3HD1 LEU 60 -10.115 -2.799 4.764 498 1HD2 LEU 60 1HD2 LEU 60 -8.672 -2.368 7.500 499 2HD2 LEU 60 2HD2 LEU 60 -10.148 -2.599 8.467 500 3HD2 LEU 60 3HD2 LEU 60 -9.849 -3.632 7.071 501 H ASP 61 H ASP 61 -12.641 1.671 7.981 502 HA ASP 61 HA ASP 61 -11.406 4.086 7.674 503 1HB ASP 61 1HB ASP 61 -13.745 3.744 7.071 504 2HB ASP 61 2HB ASP 61 -14.184 3.589 8.777 505 H SER 62 H SER 62 -9.734 4.414 9.226 506 HA SER 62 HA SER 62 -9.862 4.659 11.914 507 1HB SER 62 1HB SER 62 -8.395 6.653 10.150 508 2HB SER 62 2HB SER 62 -7.863 5.928 11.680 509 HG SER 62 HG SER 62 -7.996 3.853 10.459 510 H ASP 63 H ASP 63 -11.059 7.048 9.539 511 HA ASP 63 HA ASP 63 -11.479 9.121 11.539 512 1HB ASP 63 1HB ASP 63 -12.289 8.819 8.626 513 2HB ASP 63 2HB ASP 63 -12.845 10.155 9.638 514 H GLY 64 H GLY 64 -13.225 6.236 10.872 515 1HA GLY 64 1HA GLY 64 -15.283 5.500 11.500 516 2HA GLY 64 2HA GLY 64 -15.081 6.613 12.862 517 H ASP 65 H ASP 65 -15.487 7.361 9.404 518 HA ASP 65 HA ASP 65 -18.084 8.749 9.953 519 1HB ASP 65 1HB ASP 65 -16.169 10.314 9.611 520 2HB ASP 65 2HB ASP 65 -15.853 9.562 8.040 521 H GLY 66 H GLY 66 -17.260 5.952 9.021 522 1HA GLY 66 1HA GLY 66 -18.062 4.408 7.539 523 2HA GLY 66 2HA GLY 66 -19.039 5.640 6.730 524 H GLU 67 H GLU 67 -17.483 7.405 5.723 525 HA GLU 67 HA GLU 67 -16.388 6.182 3.497 526 1HB GLU 67 1HB GLU 67 -15.493 8.445 2.870 527 2HB GLU 67 2HB GLU 67 -17.197 8.385 3.309 528 1HG GLU 67 1HG GLU 67 -16.541 9.219 5.634 529 2HG GLU 67 2HG GLU 67 -14.936 9.524 4.970 530 H CYS 68 H CYS 68 -14.443 5.279 2.985 531 HA CYS 68 HA CYS 68 -12.557 5.011 5.241 532 1HB CYS 68 1HB CYS 68 -13.266 3.298 3.007 533 2HB CYS 68 2HB CYS 68 -11.509 3.596 2.980 534 HG CYS 68 HG CYS 68 -13.232 2.537 5.521 535 H ASP 69 H ASP 69 -10.513 5.815 5.356 536 HA ASP 69 HA ASP 69 -9.921 8.123 3.728 537 1HB ASP 69 1HB ASP 69 -8.163 6.649 5.739 538 2HB ASP 69 2HB ASP 69 -7.937 8.305 5.147 539 H PHE 70 H PHE 70 -8.106 8.354 2.271 540 HA PHE 70 HA PHE 70 -7.582 6.336 0.515 541 1HB PHE 70 1HB PHE 70 -6.905 8.671 0.132 542 2HB PHE 70 2HB PHE 70 -5.618 8.497 1.325 543 HD1 PHE 70 HD1 PHE 70 -3.436 7.961 0.494 544 HD2 PHE 70 HD2 PHE 70 -6.904 6.689 -1.688 545 HE1 PHE 70 HE1 PHE 70 -1.992 6.977 -1.242 546 HE2 PHE 70 HE2 PHE 70 -5.467 5.778 -3.487 547 HZ PHE 70 HZ PHE 70 -3.005 5.896 -3.270 548 H GLN 71 H GLN 71 -5.598 6.997 3.419 549 HA GLN 71 HA GLN 71 -3.684 4.984 3.140 550 1HB GLN 71 1HB GLN 71 -3.570 6.644 4.898 551 2HB GLN 71 2HB GLN 71 -5.098 6.086 5.599 552 1HG GLN 71 1HG GLN 71 -3.262 5.334 6.951 553 2HG GLN 71 2HG GLN 71 -4.064 3.944 6.243 554 1HE2 GLN 71 2HE2 GLN 71 -2.951 2.867 4.333 555 2HE2 GLN 71 1HE2 GLN 71 -1.192 3.007 4.258 556 H GLU 72 H GLU 72 -7.059 4.689 4.346 557 HA GLU 72 HA GLU 72 -6.658 1.919 5.202 558 1HB GLU 72 1HB GLU 72 -9.197 3.597 4.935 559 2HB GLU 72 2HB GLU 72 -9.062 2.015 5.706 560 1HG GLU 72 1HG GLU 72 -7.725 4.601 6.622 561 2HG GLU 72 2HG GLU 72 -9.010 3.715 7.433 562 H PHE 73 H PHE 73 -8.087 3.627 2.448 563 HA PHE 73 HA PHE 73 -8.981 1.342 0.974 564 1HB PHE 73 1HB PHE 73 -9.571 3.435 0.145 565 2HB PHE 73 2HB PHE 73 -7.938 4.071 0.211 566 HD1 PHE 73 HD1 PHE 73 -6.371 3.801 -1.606 567 HD2 PHE 73 HD2 PHE 73 -10.175 1.768 -1.669 568 HE1 PHE 73 HE1 PHE 73 -6.117 3.385 -4.048 569 HE2 PHE 73 HE2 PHE 73 -9.913 1.370 -4.090 570 HZ PHE 73 HZ PHE 73 -7.954 2.285 -5.319 571 H MET 74 H MET 74 -5.734 2.944 1.065 572 HA MET 74 HA MET 74 -4.480 0.989 -0.552 573 1HB MET 74 1HB MET 74 -3.308 2.915 1.478 574 2HB MET 74 2HB MET 74 -2.358 1.780 0.522 575 1HG MET 74 1HG MET 74 -3.723 2.833 -1.534 576 2HG MET 74 2HG MET 74 -3.924 4.171 -0.403 577 1HE MET 74 1HE MET 74 0.035 2.695 -2.269 578 2HE MET 74 2HE MET 74 -0.753 1.706 -1.025 579 3HE MET 74 3HE MET 74 -1.567 1.997 -2.573 580 H ALA 75 H ALA 75 -4.976 1.038 2.965 581 HA ALA 75 HA ALA 75 -3.478 -1.322 3.523 582 1HB ALA 75 1HB ALA 75 -6.021 -0.430 4.939 583 2HB ALA 75 2HB ALA 75 -4.772 -1.521 5.553 584 3HB ALA 75 3HB ALA 75 -4.388 0.189 5.271 585 H PHE 76 H PHE 76 -6.888 -0.923 2.497 586 HA PHE 76 HA PHE 76 -7.583 -3.715 2.538 587 1HB PHE 76 1HB PHE 76 -9.304 -2.022 2.482 588 2HB PHE 76 2HB PHE 76 -8.688 -1.362 0.984 589 HD1 PHE 76 HD1 PHE 76 -9.120 -2.309 -1.161 590 HD2 PHE 76 HD2 PHE 76 -10.666 -4.143 2.435 591 HE1 PHE 76 HE1 PHE 76 -10.593 -3.732 -2.522 592 HE2 PHE 76 HE2 PHE 76 -12.106 -5.608 1.050 593 HZ PHE 76 HZ PHE 76 -12.040 -5.439 -1.442 594 H VAL 77 H VAL 77 -6.522 -1.565 -0.106 595 HA VAL 77 HA VAL 77 -6.270 -3.467 -2.154 596 HB VAL 77 HB VAL 77 -4.754 -0.932 -1.516 597 1HG1 VAL 77 1HG1 VAL 77 -3.934 -0.967 -3.893 598 2HG1 VAL 77 2HG1 VAL 77 -3.193 -2.222 -2.909 599 3HG1 VAL 77 3HG1 VAL 77 -4.501 -2.637 -4.038 600 1HG2 VAL 77 1HG2 VAL 77 -6.806 -1.588 -3.674 601 2HG2 VAL 77 2HG2 VAL 77 -7.177 -0.758 -2.154 602 3HG2 VAL 77 3HG2 VAL 77 -6.103 0.008 -3.334 603 H ALA 78 H ALA 78 -3.893 -2.589 0.422 604 HA ALA 78 HA ALA 78 -1.767 -4.119 -0.546 605 1HB ALA 78 1HB ALA 78 -2.430 -3.552 2.369 606 2HB ALA 78 2HB ALA 78 -0.853 -4.007 1.695 607 3HB ALA 78 3HB ALA 78 -1.574 -2.452 1.260 608 H MET 79 H MET 79 -4.267 -5.154 1.872 609 HA MET 79 HA MET 79 -3.113 -7.795 2.033 610 1HB MET 79 1HB MET 79 -5.243 -8.507 3.092 611 2HB MET 79 2HB MET 79 -4.344 -7.210 3.883 612 1HG MET 79 1HG MET 79 -5.930 -5.558 3.019 613 2HG MET 79 2HG MET 79 -6.896 -6.847 2.256 614 1HE MET 79 1HE MET 79 -7.488 -4.478 4.658 615 2HE MET 79 2HE MET 79 -8.758 -5.341 3.733 616 3HE MET 79 3HE MET 79 -8.775 -5.360 5.514 617 H ILE 80 H ILE 80 -5.812 -6.501 0.086 618 HA ILE 80 HA ILE 80 -6.549 -8.950 -1.174 619 HB ILE 80 HB ILE 80 -6.591 -6.076 -2.158 620 1HG1 ILE 80 1HG1 ILE 80 -7.918 -6.625 -0.031 621 2HG1 ILE 80 2HG1 ILE 80 -8.761 -5.855 -1.371 622 1HG2 ILE 80 1HG2 ILE 80 -8.382 -6.861 -3.721 623 2HG2 ILE 80 2HG2 ILE 80 -6.762 -7.459 -4.091 624 3HG2 ILE 80 3HG2 ILE 80 -7.943 -8.537 -3.319 625 1HD1 ILE 80 1HD1 ILE 80 -9.827 -7.969 -1.956 626 2HD1 ILE 80 2HD1 ILE 80 -8.869 -8.821 -0.713 627 3HD1 ILE 80 3HD1 ILE 80 -10.069 -7.598 -0.243 628 H THR 81 H THR 81 -4.117 -6.512 -2.022 629 HA THR 81 HA THR 81 -3.219 -7.681 -4.455 630 HB THR 81 HB THR 81 -1.987 -5.678 -2.530 631 HG1 THR 81 HG1 THR 81 -3.791 -4.983 -3.571 632 1HG2 THR 81 1HG2 THR 81 -0.059 -6.186 -3.554 633 2HG2 THR 81 2HG2 THR 81 -0.815 -6.836 -5.025 634 3HG2 THR 81 3HG2 THR 81 -0.697 -5.079 -4.763 635 H THR 82 H THR 82 -2.240 -8.099 -1.017 636 HA THR 82 HA THR 82 0.028 -9.778 -1.590 637 HB THR 82 HB THR 82 -1.663 -9.557 0.927 638 HG1 THR 82 HG1 THR 82 -0.739 -7.601 0.304 639 1HG2 THR 82 1HG2 THR 82 1.131 -10.684 0.440 640 2HG2 THR 82 2HG2 THR 82 0.472 -10.262 2.034 641 3HG2 THR 82 3HG2 THR 82 -0.289 -11.545 1.081 642 H ALA 83 H ALA 83 -3.435 -10.544 -0.838 643 HA ALA 83 HA ALA 83 -3.187 -13.363 -1.143 644 1HB ALA 83 1HB ALA 83 -5.586 -13.320 -1.640 645 2HB ALA 83 2HB ALA 83 -5.219 -12.217 -0.299 646 3HB ALA 83 3HB ALA 83 -5.539 -11.575 -1.920 647 H CYS 84 H CYS 84 -3.844 -10.812 -3.577 648 HA CYS 84 HA CYS 84 -3.897 -12.479 -5.857 649 1HB CYS 84 1HB CYS 84 -4.658 -10.171 -5.947 650 2HB CYS 84 2HB CYS 84 -2.990 -9.588 -5.686 651 HG CYS 84 HG CYS 84 -3.686 -9.349 -8.201 652 H HIS 85 H HIS 85 -1.079 -10.939 -4.219 653 HA HIS 85 HA HIS 85 0.926 -11.692 -6.051 654 1HB HIS 85 1HB HIS 85 1.258 -10.160 -4.169 655 2HB HIS 85 2HB HIS 85 1.142 -11.490 -3.020 656 HD1 HIS 85 HD1 HIS 85 3.727 -9.517 -4.408 657 HD2 HIS 85 HD2 HIS 85 3.109 -13.601 -3.600 658 HE1 HIS 85 HE1 HIS 85 6.025 -10.612 -4.239 659 H GLU 86 H GLU 86 -0.180 -13.467 -3.112 660 HA GLU 86 HA GLU 86 1.414 -15.768 -3.514 661 1HB GLU 86 1HB GLU 86 -1.286 -15.302 -2.184 662 2HB GLU 86 2HB GLU 86 -0.677 -16.934 -2.389 663 1HG GLU 86 1HG GLU 86 0.038 -16.280 -0.238 664 2HG GLU 86 2HG GLU 86 1.486 -16.231 -1.244 665 H PHE 87 H PHE 87 -1.873 -15.115 -4.699 666 HA PHE 87 HA PHE 87 -2.301 -17.520 -6.107 667 1HB PHE 87 1HB PHE 87 -4.073 -16.023 -5.624 668 2HB PHE 87 2HB PHE 87 -3.309 -14.681 -6.446 669 HD1 PHE 87 HD1 PHE 87 -3.474 -14.347 -8.832 670 HD2 PHE 87 HD2 PHE 87 -5.222 -17.814 -6.949 671 HE1 PHE 87 HE1 PHE 87 -4.713 -14.857 -10.914 672 HE2 PHE 87 HE2 PHE 87 -6.466 -18.314 -9.029 673 HZ PHE 87 HZ PHE 87 -6.192 -16.859 -11.029 674 H PHE 88 H PHE 88 -0.948 -14.451 -7.248 675 HA PHE 88 HA PHE 88 -0.681 -15.158 -10.002 676 1HB PHE 88 1HB PHE 88 -0.892 -12.895 -9.042 677 2HB PHE 88 2HB PHE 88 0.701 -13.052 -8.287 678 HD1 PHE 88 HD1 PHE 88 -1.126 -12.253 -11.354 679 HD2 PHE 88 HD2 PHE 88 2.778 -13.079 -9.704 680 HE1 PHE 88 HE1 PHE 88 -0.063 -11.084 -13.264 681 HE2 PHE 88 HE2 PHE 88 3.826 -11.881 -11.603 682 HZ PHE 88 HZ PHE 88 2.413 -10.881 -13.383 683 H GLU 89 H GLU 89 1.513 -15.317 -7.188 684 HA GLU 89 HA GLU 89 3.845 -16.120 -8.680 685 1HB GLU 89 1HB GLU 89 3.972 -15.131 -6.440 686 2HB GLU 89 2HB GLU 89 3.117 -16.510 -5.733 687 1HG GLU 89 1HG GLU 89 4.946 -18.027 -6.449 688 2HG GLU 89 2HG GLU 89 5.779 -16.669 -7.221 689 H HIS 90 H HIS 90 1.633 -18.033 -6.512 690 HA HIS 90 HA HIS 90 2.561 -20.512 -7.897 691 1HB HIS 90 1HB HIS 90 0.785 -20.058 -5.481 692 2HB HIS 90 2HB HIS 90 1.242 -21.636 -6.140 693 HD1 HIS 90 HD1 HIS 90 2.614 -18.854 -3.989 694 HD2 HIS 90 HD2 HIS 90 3.899 -22.346 -5.949 695 HE1 HIS 90 HE1 HIS 90 4.950 -19.389 -3.086 696 H GLU 91 H GLU 91 1.584 -19.375 -9.850 697 HA GLU 91 HA GLU 91 -1.243 -19.292 -10.154 698 1HB GLU 91 1HB GLU 91 -0.717 -19.138 -12.554 699 2HB GLU 91 2HB GLU 91 0.185 -17.990 -11.563 700 1HG GLU 91 1HG GLU 91 2.225 -19.338 -11.760 701 2HG GLU 91 2HG GLU 91 1.338 -20.622 -12.599 702 1H SER 1 1H SER 1 -10.417 -1.645 -15.117 703 2H SER 1 2H SER 1 -11.514 -2.534 -14.282 704 3H SER 1 3H SER 1 -10.792 -1.239 -13.551 705 HA SER 1 HA SER 1 -9.878 -3.246 -12.721 706 1HB SER 1 1HB SER 1 -9.195 -3.843 -15.591 707 2HB SER 1 2HB SER 1 -8.914 -4.915 -14.194 708 HG SER 1 HG SER 1 -11.230 -4.994 -13.918 709 H GLU 2 H GLU 2 -9.013 -0.441 -14.030 710 HA GLU 2 HA GLU 2 -6.309 -0.458 -14.603 711 1HB GLU 2 1HB GLU 2 -7.883 1.489 -14.742 712 2HB GLU 2 2HB GLU 2 -7.758 1.681 -12.985 713 1HG GLU 2 1HG GLU 2 -5.290 2.010 -13.226 714 2HG GLU 2 2HG GLU 2 -5.458 1.862 -14.984 715 H LEU 3 H LEU 3 -7.808 -0.226 -11.345 716 HA LEU 3 HA LEU 3 -5.459 -0.130 -9.779 717 1HB LEU 3 1HB LEU 3 -8.077 -1.585 -9.215 718 2HB LEU 3 2HB LEU 3 -6.813 -1.226 -8.019 719 HG LEU 3 HG LEU 3 -8.477 0.830 -9.540 720 1HD1 LEU 3 1HD1 LEU 3 -8.431 -0.075 -6.626 721 2HD1 LEU 3 2HD1 LEU 3 -9.375 1.278 -7.270 722 3HD1 LEU 3 3HD1 LEU 3 -9.724 -0.377 -7.810 723 1HD2 LEU 3 1HD2 LEU 3 -6.266 1.172 -7.464 724 2HD2 LEU 3 2HD2 LEU 3 -6.291 1.829 -9.119 725 3HD2 LEU 3 3HD2 LEU 3 -7.412 2.451 -7.908 726 H GLU 4 H GLU 4 -7.067 -2.966 -11.272 727 HA GLU 4 HA GLU 4 -5.425 -4.889 -9.877 728 1HB GLU 4 1HB GLU 4 -7.189 -5.165 -12.333 729 2HB GLU 4 2HB GLU 4 -6.428 -6.500 -11.462 730 1HG GLU 4 1HG GLU 4 -7.601 -5.958 -9.411 731 2HG GLU 4 2HG GLU 4 -8.259 -4.477 -10.089 732 H LYS 5 H LYS 5 -5.337 -3.278 -13.027 733 HA LYS 5 HA LYS 5 -3.118 -4.679 -14.163 734 1HB LYS 5 1HB LYS 5 -4.484 -3.341 -15.575 735 2HB LYS 5 2HB LYS 5 -4.195 -1.886 -14.624 736 1HG LYS 5 1HG LYS 5 -2.945 -1.866 -16.722 737 2HG LYS 5 2HG LYS 5 -1.874 -1.776 -15.324 738 1HD LYS 5 1HD LYS 5 -1.324 -4.191 -15.569 739 2HD LYS 5 2HD LYS 5 -2.458 -4.311 -16.932 740 1HE LYS 5 1HE LYS 5 -1.093 -2.669 -18.201 741 2HE LYS 5 2HE LYS 5 0.006 -2.500 -16.817 742 1HZ LYS 5 1HZ LYS 5 0.856 -3.995 -18.453 743 2HZ LYS 5 2HZ LYS 5 0.567 -4.798 -17.045 744 3HZ LYS 5 3HZ LYS 5 -0.462 -4.974 -18.322 745 H ALA 6 H ALA 6 -3.321 -1.595 -12.364 746 HA ALA 6 HA ALA 6 -0.594 -1.016 -12.041 747 1HB ALA 6 1HB ALA 6 -2.976 -0.552 -10.191 748 2HB ALA 6 2HB ALA 6 -1.404 0.222 -9.989 749 3HB ALA 6 3HB ALA 6 -2.372 0.535 -11.444 750 H VAL 7 H VAL 7 -2.728 -2.892 -9.834 751 HA VAL 7 HA VAL 7 -0.781 -3.698 -8.004 752 HB VAL 7 HB VAL 7 -3.442 -4.810 -8.867 753 1HG1 VAL 7 1HG1 VAL 7 -3.235 -6.377 -6.875 754 2HG1 VAL 7 2HG1 VAL 7 -2.363 -6.840 -8.346 755 3HG1 VAL 7 3HG1 VAL 7 -1.484 -6.114 -6.983 756 1HG2 VAL 7 1HG2 VAL 7 -2.378 -3.709 -6.229 757 2HG2 VAL 7 2HG2 VAL 7 -3.263 -2.754 -7.423 758 3HG2 VAL 7 3HG2 VAL 7 -4.068 -4.106 -6.608 759 H VAL 8 H VAL 8 -1.791 -5.612 -10.965 760 HA VAL 8 HA VAL 8 0.149 -7.616 -10.336 761 HB VAL 8 HB VAL 8 -0.057 -8.479 -12.556 762 1HG1 VAL 8 1HG1 VAL 8 -2.425 -9.090 -12.437 763 2HG1 VAL 8 2HG1 VAL 8 -1.688 -9.090 -10.826 764 3HG1 VAL 8 3HG1 VAL 8 -2.743 -7.752 -11.317 765 1HG2 VAL 8 1HG2 VAL 8 -1.909 -6.175 -13.165 766 2HG2 VAL 8 2HG2 VAL 8 -0.292 -6.387 -13.869 767 3HG2 VAL 8 3HG2 VAL 8 -1.578 -7.558 -14.215 768 H ALA 9 H ALA 9 0.483 -4.526 -12.110 769 HA ALA 9 HA ALA 9 3.180 -5.011 -12.936 770 1HB ALA 9 1HB ALA 9 2.001 -2.324 -12.137 771 2HB ALA 9 2HB ALA 9 3.434 -2.636 -13.119 772 3HB ALA 9 3HB ALA 9 1.833 -3.093 -13.730 773 H LEU 10 H LEU 10 1.874 -3.643 -9.839 774 HA LEU 10 HA LEU 10 4.383 -3.255 -8.555 775 1HB LEU 10 1HB LEU 10 1.870 -4.288 -7.173 776 2HB LEU 10 2HB LEU 10 3.251 -3.513 -6.425 777 HG LEU 10 HG LEU 10 1.249 -2.157 -8.260 778 1HD1 LEU 10 1HD1 LEU 10 0.380 -2.822 -6.020 779 2HD1 LEU 10 2HD1 LEU 10 1.699 -1.897 -5.272 780 3HD1 LEU 10 3HD1 LEU 10 0.464 -1.066 -6.239 781 1HD2 LEU 10 1HD2 LEU 10 3.387 -1.020 -8.472 782 2HD2 LEU 10 2HD2 LEU 10 2.304 -0.057 -7.448 783 3HD2 LEU 10 3HD2 LEU 10 3.593 -1.014 -6.695 784 H ILE 11 H ILE 11 2.262 -6.148 -8.547 785 HA ILE 11 HA ILE 11 3.901 -7.798 -6.921 786 HB ILE 11 HB ILE 11 1.918 -8.506 -9.118 787 1HG1 ILE 11 1HG1 ILE 11 1.630 -8.736 -6.097 788 2HG1 ILE 11 2HG1 ILE 11 1.114 -7.304 -6.993 789 1HG2 ILE 11 1HG2 ILE 11 3.240 -10.350 -7.081 790 2HG2 ILE 11 2HG2 ILE 11 1.897 -10.801 -8.147 791 3HG2 ILE 11 3HG2 ILE 11 3.455 -10.415 -8.840 792 1HD1 ILE 11 1HD1 ILE 11 -0.467 -8.673 -8.314 793 2HD1 ILE 11 2HD1 ILE 11 -0.027 -10.111 -7.379 794 3HD1 ILE 11 3HD1 ILE 11 -0.788 -8.744 -6.573 795 H ASP 12 H ASP 12 3.724 -7.589 -10.507 796 HA ASP 12 HA ASP 12 5.623 -9.609 -10.996 797 1HB ASP 12 1HB ASP 12 4.061 -8.813 -12.697 798 2HB ASP 12 2HB ASP 12 4.824 -7.214 -12.704 799 H VAL 13 H VAL 13 6.061 -6.029 -10.948 800 HA VAL 13 HA VAL 13 8.837 -6.089 -11.577 801 HB VAL 13 HB VAL 13 7.102 -4.066 -10.100 802 1HG1 VAL 13 1HG1 VAL 13 9.945 -3.751 -11.155 803 2HG1 VAL 13 2HG1 VAL 13 8.901 -2.421 -10.615 804 3HG1 VAL 13 3HG1 VAL 13 9.444 -3.633 -9.448 805 1HG2 VAL 13 1HG2 VAL 13 6.600 -4.568 -12.545 806 2HG2 VAL 13 2HG2 VAL 13 7.143 -2.915 -12.242 807 3HG2 VAL 13 3HG2 VAL 13 8.269 -4.109 -12.926 808 H PHE 14 H PHE 14 7.153 -5.888 -8.397 809 HA PHE 14 HA PHE 14 9.433 -5.922 -6.739 810 1HB PHE 14 1HB PHE 14 7.207 -5.524 -5.869 811 2HB PHE 14 2HB PHE 14 6.655 -7.111 -6.387 812 HD1 PHE 14 HD1 PHE 14 7.397 -9.182 -5.268 813 HD2 PHE 14 HD2 PHE 14 8.590 -5.304 -3.833 814 HE1 PHE 14 HE1 PHE 14 8.160 -10.201 -3.157 815 HE2 PHE 14 HE2 PHE 14 9.196 -6.322 -1.637 816 HZ PHE 14 HZ PHE 14 9.002 -8.753 -1.306 817 H HIS 15 H HIS 15 7.520 -8.697 -7.991 818 HA HIS 15 HA HIS 15 8.971 -10.714 -6.664 819 1HB HIS 15 1HB HIS 15 6.718 -10.965 -7.604 820 2HB HIS 15 2HB HIS 15 7.363 -10.837 -9.245 821 HD1 HIS 15 HD1 HIS 15 8.834 -12.989 -10.094 822 HD2 HIS 15 HD2 HIS 15 6.833 -13.319 -6.402 823 HE1 HIS 15 HE1 HIS 15 8.746 -15.476 -9.527 824 H GLN 16 H GLN 16 9.331 -9.349 -9.947 825 HA GLN 16 HA GLN 16 11.390 -10.966 -10.927 826 1HB GLN 16 1HB GLN 16 10.121 -9.448 -12.259 827 2HB GLN 16 2HB GLN 16 10.724 -8.037 -11.426 828 1HG GLN 16 1HG GLN 16 12.447 -9.980 -13.045 829 2HG GLN 16 2HG GLN 16 11.688 -8.535 -13.720 830 1HE2 GLN 16 1HE2 GLN 16 12.250 -6.871 -11.212 831 2HE2 GLN 16 2HE2 GLN 16 13.963 -6.559 -11.330 832 H TYR 17 H TYR 17 11.688 -8.001 -8.862 833 HA TYR 17 HA TYR 17 14.599 -8.264 -8.740 834 1HB TYR 17 1HB TYR 17 12.626 -6.690 -7.052 835 2HB TYR 17 2HB TYR 17 14.371 -6.639 -6.845 836 HD1 TYR 17 HD1 TYR 17 11.666 -5.067 -8.490 837 HD2 TYR 17 HD2 TYR 17 15.845 -6.015 -8.871 838 HE1 TYR 17 HE1 TYR 17 11.933 -3.226 -10.121 839 HE2 TYR 17 HE2 TYR 17 16.114 -4.146 -10.495 840 HH TYR 17 HH TYR 17 13.352 -2.113 -11.525 841 H SER 18 H SER 18 12.005 -8.882 -6.351 842 HA SER 18 HA SER 18 13.502 -9.795 -4.204 843 1HB SER 18 1HB SER 18 10.758 -10.787 -5.070 844 2HB SER 18 2HB SER 18 11.439 -10.800 -3.440 845 HG SER 18 HG SER 18 10.644 -8.585 -4.967 846 H GLY 19 H GLY 19 12.328 -11.721 -6.974 847 1HA GLY 19 1HA GLY 19 12.987 -14.281 -5.994 848 2HA GLY 19 2HA GLY 19 12.852 -13.806 -7.699 849 H ARG 20 H ARG 20 15.119 -11.712 -7.258 850 HA ARG 20 HA ARG 20 17.180 -13.566 -8.093 851 1HB ARG 20 1HB ARG 20 17.636 -10.657 -7.425 852 2HB ARG 20 2HB ARG 20 18.542 -11.730 -8.493 853 1HG ARG 20 1HG ARG 20 15.993 -11.778 -9.653 854 2HG ARG 20 2HG ARG 20 16.059 -10.168 -8.950 855 1HD ARG 20 1HD ARG 20 18.508 -10.180 -10.146 856 2HD ARG 20 2HD ARG 20 17.657 -11.309 -11.188 857 HE ARG 20 HE ARG 20 16.206 -9.604 -11.908 858 1HH1 ARG 20 1HH2 ARG 20 18.113 -8.379 -9.180 859 2HH1 ARG 20 2HH2 ARG 20 18.068 -6.724 -9.728 860 1HH2 ARG 20 1HH1 ARG 20 15.896 -7.462 -12.432 861 2HH2 ARG 20 2HH1 ARG 20 16.719 -6.169 -11.565 862 H GLU 21 H GLU 21 16.689 -11.495 -5.178 863 HA GLU 21 HA GLU 21 18.356 -13.336 -3.625 864 1HB GLU 21 1HB GLU 21 19.091 -10.394 -3.715 865 2HB GLU 21 2HB GLU 21 19.797 -11.642 -2.691 866 1HG GLU 21 1HG GLU 21 20.623 -12.819 -4.741 867 2HG GLU 21 2HG GLU 21 19.980 -11.495 -5.734 868 H GLY 22 H GLY 22 17.245 -13.778 -1.873 869 1HA GLY 22 1HA GLY 22 16.443 -12.786 0.278 870 2HA GLY 22 2HA GLY 22 15.329 -11.801 -0.689 871 H ASP 23 H ASP 23 13.518 -12.818 -1.680 872 HA ASP 23 HA ASP 23 13.407 -15.663 -2.084 873 1HB ASP 23 1HB ASP 23 12.759 -15.761 0.281 874 2HB ASP 23 2HB ASP 23 11.645 -14.404 0.069 875 H LYS 24 H LYS 24 11.287 -16.128 -3.253 876 HA LYS 24 HA LYS 24 10.509 -14.349 -5.239 877 1HB LYS 24 1HB LYS 24 8.686 -16.248 -3.696 878 2HB LYS 24 2HB LYS 24 8.422 -15.608 -5.317 879 1HG LYS 24 1HG LYS 24 10.571 -17.599 -4.470 880 2HG LYS 24 2HG LYS 24 9.132 -17.893 -5.446 881 1HD LYS 24 1HD LYS 24 10.009 -16.253 -7.154 882 2HD LYS 24 2HD LYS 24 11.530 -16.177 -6.250 883 1HE LYS 24 1HE LYS 24 10.308 -18.695 -7.476 884 2HE LYS 24 2HE LYS 24 11.648 -17.757 -8.153 885 1HZ LYS 24 1HZ LYS 24 12.914 -18.250 -6.187 886 2HZ LYS 24 2HZ LYS 24 11.679 -19.154 -5.573 887 3HZ LYS 24 3HZ LYS 24 12.443 -19.631 -6.952 888 H HIS 25 H HIS 25 9.220 -14.574 -1.909 889 HA HIS 25 HA HIS 25 7.386 -12.322 -2.366 890 1HB HIS 25 1HB HIS 25 7.857 -13.891 0.176 891 2HB HIS 25 2HB HIS 25 6.469 -12.891 -0.244 892 HD1 HIS 25 HD1 HIS 25 8.013 -16.308 -1.007 893 HD2 HIS 25 HD2 HIS 25 4.450 -14.114 -1.417 894 HE1 HIS 25 HE1 HIS 25 6.186 -17.986 -1.621 895 H LYS 26 H LYS 26 10.713 -12.283 -1.639 896 HA LYS 26 HA LYS 26 10.398 -9.991 0.186 897 1HB LYS 26 1HB LYS 26 12.255 -12.244 0.956 898 2HB LYS 26 2HB LYS 26 11.754 -10.824 1.889 899 1HG LYS 26 1HG LYS 26 9.439 -11.776 2.027 900 2HG LYS 26 2HG LYS 26 10.014 -13.229 1.199 901 1HD LYS 26 1HD LYS 26 11.735 -13.526 3.001 902 2HD LYS 26 2HD LYS 26 11.032 -12.158 3.874 903 1HE LYS 26 1HE LYS 26 9.583 -14.751 3.127 904 2HE LYS 26 2HE LYS 26 10.243 -14.359 4.722 905 1HZ LYS 26 1HZ LYS 26 8.716 -12.531 4.857 906 2HZ LYS 26 2HZ LYS 26 8.102 -12.867 3.365 907 3HZ LYS 26 3HZ LYS 26 7.909 -13.937 4.599 908 H LEU 27 H LEU 27 11.923 -8.476 0.094 909 HA LEU 27 HA LEU 27 13.934 -8.643 -2.091 910 1HB LEU 27 1HB LEU 27 12.786 -6.408 -0.374 911 2HB LEU 27 2HB LEU 27 14.125 -6.144 -1.480 912 HG LEU 27 HG LEU 27 11.432 -7.182 -2.388 913 1HD1 LEU 27 1HD1 LEU 27 11.203 -4.948 -1.295 914 2HD1 LEU 27 2HD1 LEU 27 12.495 -4.327 -2.343 915 3HD1 LEU 27 3HD1 LEU 27 10.952 -4.833 -3.049 916 1HD2 LEU 27 1HD2 LEU 27 13.329 -7.504 -4.001 917 2HD2 LEU 27 2HD2 LEU 27 12.135 -6.339 -4.594 918 3HD2 LEU 27 3HD2 LEU 27 13.670 -5.764 -3.919 919 H LYS 28 H LYS 28 16.036 -9.279 -1.474 920 HA LYS 28 HA LYS 28 17.009 -8.659 1.219 921 1HB LYS 28 1HB LYS 28 17.753 -10.616 -0.052 922 2HB LYS 28 2HB LYS 28 18.504 -9.572 -1.273 923 1HG LYS 28 1HG LYS 28 20.208 -8.885 0.173 924 2HG LYS 28 2HG LYS 28 19.283 -9.287 1.647 925 1HD LYS 28 1HD LYS 28 19.444 -11.640 1.229 926 2HD LYS 28 2HD LYS 28 20.310 -11.384 -0.297 927 1HE LYS 28 1HE LYS 28 21.310 -10.566 2.479 928 2HE LYS 28 2HE LYS 28 21.817 -12.010 1.590 929 1HZ LYS 28 1HZ LYS 28 22.656 -10.585 -0.139 930 2HZ LYS 28 2HZ LYS 28 22.233 -9.240 0.714 931 3HZ LYS 28 3HZ LYS 28 23.379 -10.264 1.307 932 H LYS 29 H LYS 29 18.955 -7.194 1.481 933 HA LYS 29 HA LYS 29 18.276 -4.586 0.904 934 1HB LYS 29 1HB LYS 29 20.479 -3.972 1.761 935 2HB LYS 29 2HB LYS 29 19.754 -5.253 2.712 936 1HG LYS 29 1HG LYS 29 21.164 -6.952 1.572 937 2HG LYS 29 2HG LYS 29 21.920 -5.661 0.609 938 1HD LYS 29 1HD LYS 29 22.820 -4.613 2.602 939 2HD LYS 29 2HD LYS 29 21.926 -5.716 3.658 940 1HE LYS 29 1HE LYS 29 24.320 -6.335 3.453 941 2HE LYS 29 2HE LYS 29 23.238 -7.626 2.908 942 1HZ LYS 29 1HZ LYS 29 24.610 -5.721 1.132 943 2HZ LYS 29 2HZ LYS 29 25.105 -7.264 1.441 944 3HZ LYS 29 3HZ LYS 29 23.677 -6.995 0.665 945 H SER 30 H SER 30 20.411 -6.614 -1.110 946 HA SER 30 HA SER 30 21.361 -4.640 -2.901 947 1HB SER 30 1HB SER 30 21.213 -6.912 -4.364 948 2HB SER 30 2HB SER 30 22.404 -6.714 -3.065 949 HG SER 30 HG SER 30 21.138 -8.691 -2.940 950 H GLU 31 H GLU 31 18.418 -6.698 -2.854 951 HA GLU 31 HA GLU 31 17.519 -5.809 -5.461 952 1HB GLU 31 1HB GLU 31 15.961 -7.285 -3.305 953 2HB GLU 31 2HB GLU 31 15.558 -7.141 -5.019 954 1HG GLU 31 1HG GLU 31 17.903 -8.600 -3.793 955 2HG GLU 31 2HG GLU 31 16.537 -9.322 -4.650 956 H LEU 32 H LEU 32 16.657 -5.160 -2.073 957 HA LEU 32 HA LEU 32 14.537 -3.369 -2.472 958 1HB LEU 32 1HB LEU 32 15.250 -4.397 -0.328 959 2HB LEU 32 2HB LEU 32 16.695 -3.374 -0.308 960 HG LEU 32 HG LEU 32 14.879 -2.720 1.218 961 1HD1 LEU 32 1HD1 LEU 32 15.482 -0.499 -0.753 962 2HD1 LEU 32 2HD1 LEU 32 15.020 -0.365 0.937 963 3HD1 LEU 32 3HD1 LEU 32 16.578 -1.090 0.516 964 1HD2 LEU 32 1HD2 LEU 32 12.944 -3.257 -0.213 965 2HD2 LEU 32 2HD2 LEU 32 12.865 -1.627 0.471 966 3HD2 LEU 32 3HD2 LEU 32 13.315 -1.843 -1.230 967 H LYS 33 H LYS 33 18.058 -2.702 -2.166 968 HA LYS 33 HA LYS 33 17.981 0.074 -2.497 969 1HB LYS 33 1HB LYS 33 19.931 -0.996 -1.782 970 2HB LYS 33 2HB LYS 33 20.024 -2.080 -3.146 971 1HG LYS 33 1HG LYS 33 20.669 -0.237 -4.634 972 2HG LYS 33 2HG LYS 33 20.340 0.957 -3.359 973 1HD LYS 33 1HD LYS 33 22.181 0.116 -2.009 974 2HD LYS 33 2HD LYS 33 22.465 -1.218 -3.145 975 1HE LYS 33 1HE LYS 33 23.114 0.341 -4.905 976 2HE LYS 33 2HE LYS 33 22.644 1.735 -3.915 977 1HZ LYS 33 1HZ LYS 33 24.371 1.278 -2.423 978 2HZ LYS 33 2HZ LYS 33 24.775 -0.139 -3.179 979 3HZ LYS 33 3HZ LYS 33 25.010 1.307 -3.937 980 H GLU 34 H GLU 34 18.571 -2.379 -5.126 981 HA GLU 34 HA GLU 34 18.585 -0.283 -7.087 982 1HB GLU 34 1HB GLU 34 18.614 -2.046 -8.775 983 2HB GLU 34 2HB GLU 34 19.742 -2.407 -7.459 984 1HG GLU 34 1HG GLU 34 17.995 -3.917 -6.467 985 2HG GLU 34 2HG GLU 34 16.992 -3.665 -7.894 986 H LEU 35 H LEU 35 16.013 -2.445 -5.933 987 HA LEU 35 HA LEU 35 13.952 -1.836 -7.733 988 1HB LEU 35 1HB LEU 35 13.781 -3.588 -6.154 989 2HB LEU 35 2HB LEU 35 14.051 -2.518 -4.783 990 HG LEU 35 HG LEU 35 11.773 -3.532 -5.142 991 1HD1 LEU 35 1HD1 LEU 35 12.280 -1.744 -3.503 992 2HD1 LEU 35 2HD1 LEU 35 11.787 -0.529 -4.709 993 3HD1 LEU 35 3HD1 LEU 35 10.626 -1.713 -4.113 994 1HD2 LEU 35 1HD2 LEU 35 11.592 -2.847 -7.584 995 2HD2 LEU 35 2HD2 LEU 35 10.188 -2.551 -6.553 996 3HD2 LEU 35 3HD2 LEU 35 11.259 -1.204 -7.004 997 H ILE 36 H ILE 36 14.727 -0.131 -4.585 998 HA ILE 36 HA ILE 36 12.725 1.852 -5.162 999 HB ILE 36 HB ILE 36 15.031 2.033 -3.197 1000 1HG1 ILE 36 1HG1 ILE 36 12.087 1.250 -2.859 1001 2HG1 ILE 36 2HG1 ILE 36 13.468 0.158 -2.740 1002 1HG2 ILE 36 1HG2 ILE 36 14.119 4.257 -3.823 1003 2HG2 ILE 36 2HG2 ILE 36 12.469 3.668 -3.543 1004 3HG2 ILE 36 3HG2 ILE 36 13.601 3.853 -2.195 1005 1HD1 ILE 36 1HD1 ILE 36 14.323 1.574 -0.812 1006 2HD1 ILE 36 2HD1 ILE 36 12.744 2.388 -0.815 1007 3HD1 ILE 36 3HD1 ILE 36 12.831 0.655 -0.518 1008 H ASN 37 H ASN 37 16.300 1.906 -5.534 1009 HA ASN 37 HA ASN 37 16.646 4.545 -6.440 1010 1HB ASN 37 1HB ASN 37 18.051 1.939 -7.149 1011 2HB ASN 37 2HB ASN 37 18.453 3.439 -7.999 1012 1HD2 ASN 37 2HD2 ASN 37 18.318 2.054 -4.698 1013 2HD2 ASN 37 1HD2 ASN 37 19.650 3.049 -4.101 1014 H ASN 38 H ASN 38 16.059 1.646 -8.450 1015 HA ASN 38 HA ASN 38 16.033 3.143 -10.900 1016 1HB ASN 38 1HB ASN 38 16.727 0.772 -10.681 1017 2HB ASN 38 2HB ASN 38 15.061 0.323 -10.245 1018 1HD2 ASN 38 1HD2 ASN 38 15.216 -1.178 -12.063 1019 2HD2 ASN 38 2HD2 ASN 38 14.964 -0.558 -13.694 1020 H GLU 39 H GLU 39 13.402 1.480 -8.995 1021 HA GLU 39 HA GLU 39 11.467 2.297 -10.984 1022 1HB GLU 39 1HB GLU 39 11.008 1.176 -8.203 1023 2HB GLU 39 2HB GLU 39 9.820 1.318 -9.503 1024 1HG GLU 39 1HG GLU 39 12.323 -0.433 -9.564 1025 2HG GLU 39 2HG GLU 39 10.668 -0.986 -9.303 1026 H LEU 40 H LEU 40 12.378 3.574 -7.722 1027 HA LEU 40 HA LEU 40 10.095 5.429 -7.888 1028 1HB LEU 40 1HB LEU 40 10.861 4.009 -5.834 1029 2HB LEU 40 2HB LEU 40 12.080 5.253 -5.645 1030 HG LEU 40 HG LEU 40 10.195 6.946 -5.469 1031 1HD1 LEU 40 1HD1 LEU 40 8.356 5.793 -6.658 1032 2HD1 LEU 40 2HD1 LEU 40 8.455 4.442 -5.499 1033 3HD1 LEU 40 3HD1 LEU 40 7.918 6.042 -4.970 1034 1HD2 LEU 40 1HD2 LEU 40 11.248 5.741 -3.479 1035 2HD2 LEU 40 2HD2 LEU 40 9.621 6.394 -3.216 1036 3HD2 LEU 40 3HD2 LEU 40 9.841 4.666 -3.530 1037 H SER 41 H SER 41 12.875 5.487 -9.426 1038 HA SER 41 HA SER 41 14.480 7.587 -8.806 1039 1HB SER 41 1HB SER 41 14.825 7.741 -11.322 1040 2HB SER 41 2HB SER 41 14.996 6.120 -10.646 1041 HG SER 41 HG SER 41 13.267 5.473 -11.658 1042 H HIS 42 H HIS 42 11.345 7.837 -10.530 1043 HA HIS 42 HA HIS 42 11.840 10.590 -11.303 1044 1HB HIS 42 1HB HIS 42 9.125 9.262 -11.215 1045 2HB HIS 42 2HB HIS 42 9.646 10.635 -12.167 1046 HD1 HIS 42 HD1 HIS 42 12.109 7.737 -12.466 1047 HD2 HIS 42 HD2 HIS 42 8.419 8.967 -14.095 1048 HE1 HIS 42 HE1 HIS 42 11.731 6.350 -14.537 1049 H PHE 43 H PHE 43 10.350 8.949 -8.562 1050 HA PHE 43 HA PHE 43 9.172 11.377 -7.441 1051 1HB PHE 43 1HB PHE 43 9.310 8.488 -6.667 1052 2HB PHE 43 2HB PHE 43 9.020 9.687 -5.412 1053 HD1 PHE 43 HD1 PHE 43 6.860 8.898 -4.777 1054 HD2 PHE 43 HD2 PHE 43 7.635 9.900 -8.902 1055 HE1 PHE 43 HE1 PHE 43 4.432 8.710 -5.271 1056 HE2 PHE 43 HE2 PHE 43 5.214 9.761 -9.381 1057 HZ PHE 43 HZ PHE 43 3.608 9.192 -7.576 1058 H LEU 44 H LEU 44 12.056 9.293 -6.662 1059 HA LEU 44 HA LEU 44 13.043 11.575 -5.028 1060 1HB LEU 44 1HB LEU 44 13.146 10.532 -3.071 1061 2HB LEU 44 2HB LEU 44 11.733 9.720 -3.737 1062 HG LEU 44 HG LEU 44 14.522 8.608 -3.339 1063 1HD1 LEU 44 1HD1 LEU 44 13.268 6.972 -1.962 1064 2HD1 LEU 44 2HD1 LEU 44 12.900 8.621 -1.424 1065 3HD1 LEU 44 3HD1 LEU 44 11.742 7.729 -2.424 1066 1HD2 LEU 44 1HD2 LEU 44 13.541 6.457 -4.254 1067 2HD2 LEU 44 2HD2 LEU 44 12.244 7.458 -4.942 1068 3HD2 LEU 44 3HD2 LEU 44 13.919 7.651 -5.484 1069 H GLU 45 H GLU 45 15.276 11.301 -4.235 1070 HA GLU 45 HA GLU 45 16.956 10.916 -6.542 1071 1HB GLU 45 1HB GLU 45 17.698 11.437 -3.625 1072 2HB GLU 45 2HB GLU 45 18.771 11.584 -5.020 1073 1HG GLU 45 1HG GLU 45 17.313 13.366 -5.963 1074 2HG GLU 45 2HG GLU 45 16.248 13.247 -4.553 1075 H GLU 46 H GLU 46 19.005 9.619 -6.425 1076 HA GLU 46 HA GLU 46 18.522 6.866 -6.025 1077 1HB GLU 46 1HB GLU 46 20.817 6.565 -6.650 1078 2HB GLU 46 2HB GLU 46 20.173 7.886 -7.629 1079 1HG GLU 46 1HG GLU 46 21.197 9.501 -5.974 1080 2HG GLU 46 2HG GLU 46 21.798 8.099 -5.083 1081 H ILE 47 H ILE 47 19.606 5.454 -4.681 1082 HA ILE 47 HA ILE 47 20.010 6.416 -1.876 1083 HB ILE 47 HB ILE 47 18.556 3.824 -2.509 1084 1HG1 ILE 47 1HG1 ILE 47 17.487 6.637 -2.267 1085 2HG1 ILE 47 2HG1 ILE 47 17.172 5.450 -3.552 1086 1HG2 ILE 47 1HG2 ILE 47 18.440 5.582 -0.064 1087 2HG2 ILE 47 2HG2 ILE 47 18.016 3.871 -0.214 1088 3HG2 ILE 47 3HG2 ILE 47 19.717 4.385 -0.260 1089 1HD1 ILE 47 1HD1 ILE 47 15.236 5.624 -2.197 1090 2HD1 ILE 47 2HD1 ILE 47 15.977 4.028 -1.900 1091 3HD1 ILE 47 3HD1 ILE 47 16.133 5.336 -0.698 1092 H LYS 48 H LYS 48 22.174 6.354 -2.170 1093 HA LYS 48 HA LYS 48 23.576 4.137 -3.391 1094 1HB LYS 48 1HB LYS 48 24.096 6.625 -3.518 1095 2HB LYS 48 2HB LYS 48 24.632 6.520 -1.833 1096 1HG LYS 48 1HG LYS 48 26.214 4.598 -2.764 1097 2HG LYS 48 2HG LYS 48 25.864 5.334 -4.333 1098 1HD LYS 48 1HD LYS 48 27.152 6.594 -1.871 1099 2HD LYS 48 2HD LYS 48 27.898 6.333 -3.449 1100 1HE LYS 48 1HE LYS 48 25.647 8.315 -2.800 1101 2HE LYS 48 2HE LYS 48 27.342 8.699 -3.089 1102 1HZ LYS 48 1HZ LYS 48 27.102 7.830 -5.316 1103 2HZ LYS 48 2HZ LYS 48 25.500 7.535 -5.062 1104 3HZ LYS 48 3HZ LYS 48 26.063 9.077 -5.036 1105 H GLU 49 H GLU 49 23.477 5.597 -0.113 1106 HA GLU 49 HA GLU 49 25.476 4.011 1.013 1107 1HB GLU 49 1HB GLU 49 23.141 5.461 2.315 1108 2HB GLU 49 2HB GLU 49 24.507 4.770 3.206 1109 1HG GLU 49 1HG GLU 49 26.074 6.259 2.050 1110 2HG GLU 49 2HG GLU 49 24.756 6.949 1.085 1111 H GLN 50 H GLN 50 25.303 1.762 0.910 1112 HA GLN 50 HA GLN 50 23.045 0.185 1.164 1113 1HB GLN 50 1HB GLN 50 25.324 -0.598 0.520 1114 2HB GLN 50 2HB GLN 50 25.772 -0.581 2.239 1115 1HG GLN 50 1HG GLN 50 23.913 -2.214 2.698 1116 2HG GLN 50 2HG GLN 50 23.465 -2.166 0.985 1117 1HE2 GLN 50 1HE2 GLN 50 26.505 -2.635 2.914 1118 2HE2 GLN 50 2HE2 GLN 50 27.009 -4.052 2.010 1119 H GLU 51 H GLU 51 24.904 1.731 3.754 1120 HA GLU 51 HA GLU 51 23.762 0.436 5.992 1121 1HB GLU 51 1HB GLU 51 24.369 3.425 5.914 1122 2HB GLU 51 2HB GLU 51 24.429 2.304 7.270 1123 1HG GLU 51 1HG GLU 51 26.666 2.468 6.850 1124 2HG GLU 51 2HG GLU 51 26.322 1.115 5.772 1125 H VAL 52 H VAL 52 22.561 3.144 3.966 1126 HA VAL 52 HA VAL 52 20.270 3.620 5.696 1127 HB VAL 52 HB VAL 52 20.899 4.744 2.944 1128 1HG1 VAL 52 1HG1 VAL 52 19.234 6.475 3.676 1129 2HG1 VAL 52 2HG1 VAL 52 18.511 4.889 3.372 1130 3HG1 VAL 52 3HG1 VAL 52 18.798 5.434 5.041 1131 1HG2 VAL 52 1HG2 VAL 52 21.544 6.769 4.220 1132 2HG2 VAL 52 2HG2 VAL 52 21.225 5.928 5.749 1133 3HG2 VAL 52 3HG2 VAL 52 22.566 5.411 4.711 1134 H VAL 53 H VAL 53 20.868 1.964 2.487 1135 HA VAL 53 HA VAL 53 18.152 1.381 2.077 1136 HB VAL 53 HB VAL 53 18.664 0.027 0.429 1137 1HG1 VAL 53 1HG1 VAL 53 19.767 2.257 0.243 1138 2HG1 VAL 53 2HG1 VAL 53 21.317 1.436 0.500 1139 3HG1 VAL 53 3HG1 VAL 53 20.310 1.026 -0.887 1140 1HG2 VAL 53 1HG2 VAL 53 20.784 -1.325 0.135 1141 2HG2 VAL 53 2HG2 VAL 53 21.161 -0.966 1.803 1142 3HG2 VAL 53 3HG2 VAL 53 19.681 -1.852 1.407 1143 H ASP 54 H ASP 54 20.658 -0.453 3.832 1144 HA ASP 54 HA ASP 54 19.127 -2.615 4.737 1145 1HB ASP 54 1HB ASP 54 21.566 -2.487 4.906 1146 2HB ASP 54 2HB ASP 54 21.439 -1.205 6.121 1147 H LYS 55 H LYS 55 19.675 0.642 6.242 1148 HA LYS 55 HA LYS 55 18.129 0.199 8.547 1149 1HB LYS 55 1HB LYS 55 19.655 2.077 8.189 1150 2HB LYS 55 2HB LYS 55 18.539 2.819 7.041 1151 1HG LYS 55 1HG LYS 55 17.687 2.195 9.893 1152 2HG LYS 55 2HG LYS 55 18.646 3.626 9.496 1153 1HD LYS 55 1HD LYS 55 16.871 4.340 7.848 1154 2HD LYS 55 2HD LYS 55 15.870 2.987 8.397 1155 1HE LYS 55 1HE LYS 55 15.131 4.937 9.540 1156 2HE LYS 55 2HE LYS 55 15.917 3.871 10.712 1157 1HZ LYS 55 1HZ LYS 55 17.132 6.243 9.441 1158 2HZ LYS 55 2HZ LYS 55 16.559 6.153 10.981 1159 3HZ LYS 55 3HZ LYS 55 17.870 5.263 10.542 1160 H VAL 56 H VAL 56 17.028 1.585 5.346 1161 HA VAL 56 HA VAL 56 14.393 1.938 6.392 1162 HB VAL 56 HB VAL 56 13.588 2.396 4.194 1163 1HG1 VAL 56 1HG1 VAL 56 16.268 3.732 4.767 1164 2HG1 VAL 56 2HG1 VAL 56 14.952 4.381 3.772 1165 3HG1 VAL 56 3HG1 VAL 56 14.711 4.149 5.511 1166 1HG2 VAL 56 1HG2 VAL 56 16.357 1.732 3.188 1167 2HG2 VAL 56 2HG2 VAL 56 14.895 0.777 2.868 1168 3HG2 VAL 56 3HG2 VAL 56 15.037 2.424 2.231 1169 H MET 57 H MET 57 15.778 -0.878 4.547 1170 HA MET 57 HA MET 57 13.213 -2.220 4.636 1171 1HB MET 57 1HB MET 57 14.619 -4.373 4.717 1172 2HB MET 57 2HB MET 57 14.409 -3.463 3.231 1173 1HG MET 57 1HG MET 57 16.617 -2.896 3.100 1174 2HG MET 57 2HG MET 57 16.802 -2.795 4.850 1175 1HE MET 57 1HE MET 57 15.261 -6.018 3.218 1176 2HE MET 57 2HE MET 57 16.300 -5.393 1.922 1177 3HE MET 57 3HE MET 57 16.730 -6.895 2.786 1178 H GLU 58 H GLU 58 15.972 -2.219 6.995 1179 HA GLU 58 HA GLU 58 14.885 -4.026 8.817 1180 1HB GLU 58 1HB GLU 58 17.140 -3.125 9.005 1181 2HB GLU 58 2HB GLU 58 16.515 -1.509 9.368 1182 1HG GLU 58 1HG GLU 58 15.531 -2.306 11.471 1183 2HG GLU 58 2HG GLU 58 15.998 -3.966 11.075 1184 H THR 59 H THR 59 14.348 -0.507 8.662 1185 HA THR 59 HA THR 59 12.548 -0.143 10.757 1186 HB THR 59 HB THR 59 13.023 1.166 8.075 1187 HG1 THR 59 HG1 THR 59 13.292 1.991 10.764 1188 1HG2 THR 59 1HG2 THR 59 10.710 1.656 8.194 1189 2HG2 THR 59 2HG2 THR 59 10.810 2.057 9.933 1190 3HG2 THR 59 3HG2 THR 59 11.592 3.083 8.706 1191 H LEU 60 H LEU 60 11.905 -1.622 7.567 1192 HA LEU 60 HA LEU 60 8.992 -1.806 8.269 1193 1HB LEU 60 1HB LEU 60 10.331 -2.200 5.563 1194 2HB LEU 60 2HB LEU 60 8.599 -2.143 5.936 1195 HG LEU 60 HG LEU 60 10.515 0.206 6.214 1196 1HD1 LEU 60 1HD1 LEU 60 8.219 -0.355 4.308 1197 2HD1 LEU 60 2HD1 LEU 60 9.193 1.134 4.374 1198 3HD1 LEU 60 3HD1 LEU 60 9.952 -0.398 3.895 1199 1HD2 LEU 60 1HD2 LEU 60 7.514 -0.024 6.741 1200 2HD2 LEU 60 2HD2 LEU 60 8.766 0.341 7.945 1201 3HD2 LEU 60 3HD2 LEU 60 8.425 1.500 6.658 1202 H ASP 61 H ASP 61 11.715 -3.635 8.684 1203 HA ASP 61 HA ASP 61 10.779 -6.070 7.417 1204 1HB ASP 61 1HB ASP 61 13.148 -5.590 7.616 1205 2HB ASP 61 2HB ASP 61 13.029 -5.606 9.385 1206 H SER 62 H SER 62 8.596 -5.777 8.526 1207 HA SER 62 HA SER 62 8.246 -6.505 11.250 1208 1HB SER 62 1HB SER 62 6.476 -5.546 9.712 1209 2HB SER 62 2HB SER 62 6.322 -7.163 8.986 1210 HG SER 62 HG SER 62 5.996 -7.874 11.265 1211 H ASP 63 H ASP 63 9.095 -8.448 8.463 1212 HA ASP 63 HA ASP 63 8.318 -11.014 9.533 1213 1HB ASP 63 1HB ASP 63 10.450 -10.356 7.455 1214 2HB ASP 63 2HB ASP 63 9.635 -11.905 7.698 1215 H GLY 64 H GLY 64 10.907 -8.820 10.317 1216 1HA GLY 64 1HA GLY 64 12.947 -9.034 11.295 1217 2HA GLY 64 2HA GLY 64 12.232 -10.374 12.208 1218 H ASP 65 H ASP 65 12.854 -10.120 8.667 1219 HA ASP 65 HA ASP 65 14.370 -12.705 8.831 1220 1HB ASP 65 1HB ASP 65 12.054 -12.807 7.908 1221 2HB ASP 65 2HB ASP 65 12.519 -11.631 6.664 1222 H GLY 66 H GLY 66 14.875 -9.447 8.374 1223 1HA GLY 66 1HA GLY 66 16.555 -8.281 7.386 1224 2HA GLY 66 2HA GLY 66 17.242 -9.758 6.688 1225 H GLU 67 H GLU 67 15.573 -10.815 5.103 1226 HA GLU 67 HA GLU 67 15.282 -9.107 2.860 1227 1HB GLU 67 1HB GLU 67 13.572 -11.543 2.994 1228 2HB GLU 67 2HB GLU 67 14.599 -10.940 1.699 1229 1HG GLU 67 1HG GLU 67 15.456 -12.531 4.164 1230 2HG GLU 67 2HG GLU 67 15.344 -13.092 2.515 1231 H CYS 68 H CYS 68 13.615 -7.611 2.448 1232 HA CYS 68 HA CYS 68 11.502 -7.486 4.509 1233 1HB CYS 68 1HB CYS 68 13.016 -5.518 3.386 1234 2HB CYS 68 2HB CYS 68 11.511 -5.322 2.455 1235 HG CYS 68 HG CYS 68 11.837 -3.826 4.760 1236 H ASP 69 H ASP 69 9.355 -8.035 4.159 1237 HA ASP 69 HA ASP 69 8.950 -9.641 1.805 1238 1HB ASP 69 1HB ASP 69 8.255 -10.404 3.984 1239 2HB ASP 69 2HB ASP 69 7.086 -9.072 4.135 1240 H PHE 70 H PHE 70 7.122 -9.588 0.413 1241 HA PHE 70 HA PHE 70 6.555 -7.280 -0.937 1242 1HB PHE 70 1HB PHE 70 5.922 -9.561 -1.656 1243 2HB PHE 70 2HB PHE 70 4.659 -9.604 -0.432 1244 HD1 PHE 70 HD1 PHE 70 5.847 -7.279 -3.146 1245 HD2 PHE 70 HD2 PHE 70 2.456 -9.048 -1.174 1246 HE1 PHE 70 HE1 PHE 70 4.365 -6.356 -4.900 1247 HE2 PHE 70 HE2 PHE 70 0.968 -8.044 -2.857 1248 HZ PHE 70 HZ PHE 70 1.912 -6.681 -4.730 1249 H GLN 71 H GLN 71 4.724 -8.505 1.907 1250 HA GLN 71 HA GLN 71 2.759 -6.495 1.967 1251 1HB GLN 71 1HB GLN 71 2.672 -8.502 3.345 1252 2HB GLN 71 2HB GLN 71 4.135 -8.023 4.215 1253 1HG GLN 71 1HG GLN 71 2.160 -7.646 5.569 1254 2HG GLN 71 2HG GLN 71 2.955 -6.114 5.230 1255 1HE2 GLN 71 1HE2 GLN 71 1.971 -4.723 3.472 1256 2HE2 GLN 71 2HE2 GLN 71 0.220 -4.849 3.259 1257 H GLU 72 H GLU 72 6.138 -6.424 3.148 1258 HA GLU 72 HA GLU 72 5.794 -3.922 4.613 1259 1HB GLU 72 1HB GLU 72 8.396 -5.241 3.745 1260 2HB GLU 72 2HB GLU 72 8.119 -4.113 5.067 1261 1HG GLU 72 1HG GLU 72 7.333 -7.031 4.902 1262 2HG GLU 72 2HG GLU 72 8.366 -6.266 6.079 1263 H PHE 73 H PHE 73 7.152 -4.983 1.514 1264 HA PHE 73 HA PHE 73 7.902 -2.441 0.461 1265 1HB PHE 73 1HB PHE 73 8.620 -4.216 -0.775 1266 2HB PHE 73 2HB PHE 73 7.115 -5.098 -0.654 1267 HD1 PHE 73 HD1 PHE 73 5.280 -4.701 -2.260 1268 HD2 PHE 73 HD2 PHE 73 8.933 -2.418 -2.467 1269 HE1 PHE 73 HE1 PHE 73 4.707 -3.985 -4.559 1270 HE2 PHE 73 HE2 PHE 73 8.423 -1.839 -4.831 1271 HZ PHE 73 HZ PHE 73 6.325 -2.638 -5.888 1272 H MET 74 H MET 74 4.699 -4.121 0.300 1273 HA MET 74 HA MET 74 3.334 -2.019 -0.990 1274 1HB MET 74 1HB MET 74 2.339 -4.158 0.922 1275 2HB MET 74 2HB MET 74 1.270 -3.003 0.136 1276 1HG MET 74 1HG MET 74 3.061 -5.005 -1.288 1277 2HG MET 74 2HG MET 74 1.329 -5.147 -1.056 1278 1HE MET 74 1HE MET 74 0.322 -2.132 -1.765 1279 2HE MET 74 2HE MET 74 -0.021 -2.348 -3.491 1280 3HE MET 74 3HE MET 74 -0.471 -3.622 -2.346 1281 H ALA 75 H ALA 75 4.022 -2.492 2.469 1282 HA ALA 75 HA ALA 75 2.560 -0.198 3.358 1283 1HB ALA 75 1HB ALA 75 3.828 -0.312 5.392 1284 2HB ALA 75 2HB ALA 75 3.421 -1.960 4.874 1285 3HB ALA 75 3HB ALA 75 5.068 -1.331 4.653 1286 H PHE 76 H PHE 76 5.948 -0.505 2.214 1287 HA PHE 76 HA PHE 76 6.723 2.220 2.679 1288 1HB PHE 76 1HB PHE 76 8.376 0.494 2.168 1289 2HB PHE 76 2HB PHE 76 7.682 0.270 0.580 1290 HD1 PHE 76 HD1 PHE 76 8.632 1.311 -1.238 1291 HD2 PHE 76 HD2 PHE 76 9.266 2.996 2.706 1292 HE1 PHE 76 HE1 PHE 76 10.162 2.998 -2.192 1293 HE2 PHE 76 HE2 PHE 76 10.635 4.806 1.670 1294 HZ PHE 76 HZ PHE 76 10.972 4.866 -0.806 1295 H VAL 77 H VAL 77 5.482 0.549 -0.229 1296 HA VAL 77 HA VAL 77 5.176 2.756 -1.948 1297 HB VAL 77 HB VAL 77 3.640 0.155 -1.643 1298 1HG1 VAL 77 1HG1 VAL 77 3.448 2.210 -3.897 1299 2HG1 VAL 77 2HG1 VAL 77 2.816 0.553 -3.978 1300 3HG1 VAL 77 3HG1 VAL 77 2.130 1.694 -2.821 1301 1HG2 VAL 77 1HG2 VAL 77 5.701 1.062 -3.707 1302 2HG2 VAL 77 2HG2 VAL 77 6.062 0.010 -2.331 1303 3HG2 VAL 77 3HG2 VAL 77 4.955 -0.544 -3.593 1304 H ALA 78 H ALA 78 2.885 1.452 0.524 1305 HA ALA 78 HA ALA 78 0.812 3.251 -0.007 1306 1HB ALA 78 1HB ALA 78 0.543 1.233 1.380 1307 2HB ALA 78 2HB ALA 78 1.475 2.004 2.683 1308 3HB ALA 78 3HB ALA 78 -0.078 2.690 2.176 1309 H MET 79 H MET 79 3.429 3.652 2.478 1310 HA MET 79 HA MET 79 2.460 6.210 3.291 1311 1HB MET 79 1HB MET 79 4.717 6.667 4.179 1312 2HB MET 79 2HB MET 79 4.003 5.139 4.721 1313 1HG MET 79 1HG MET 79 5.422 3.904 3.199 1314 2HG MET 79 2HG MET 79 6.083 5.413 2.521 1315 1HE MET 79 1HE MET 79 7.210 3.723 6.627 1316 2HE MET 79 2HE MET 79 5.563 4.313 6.307 1317 3HE MET 79 3HE MET 79 6.178 2.870 5.452 1318 H ILE 80 H ILE 80 4.870 5.388 0.759 1319 HA ILE 80 HA ILE 80 5.520 8.082 0.088 1320 HB ILE 80 HB ILE 80 5.529 5.560 -1.619 1321 1HG1 ILE 80 1HG1 ILE 80 6.986 5.472 0.449 1322 2HG1 ILE 80 2HG1 ILE 80 7.797 5.237 -1.095 1323 1HG2 ILE 80 1HG2 ILE 80 5.606 7.416 -3.131 1324 2HG2 ILE 80 2HG2 ILE 80 6.765 8.294 -2.111 1325 3HG2 ILE 80 3HG2 ILE 80 7.258 6.817 -2.963 1326 1HD1 ILE 80 1HD1 ILE 80 8.712 7.510 -0.973 1327 2HD1 ILE 80 2HD1 ILE 80 7.775 7.819 0.513 1328 3HD1 ILE 80 3HD1 ILE 80 9.063 6.603 0.508 1329 H THR 81 H THR 81 3.166 5.825 -1.378 1330 HA THR 81 HA THR 81 2.155 7.607 -3.319 1331 HB THR 81 HB THR 81 0.758 5.299 -1.885 1332 HG1 THR 81 HG1 THR 81 2.585 4.582 -2.865 1333 1HG2 THR 81 1HG2 THR 81 -0.615 5.109 -3.926 1334 2HG2 THR 81 2HG2 THR 81 -0.855 6.696 -3.170 1335 3HG2 THR 81 3HG2 THR 81 0.146 6.557 -4.603 1336 H THR 82 H THR 82 1.151 7.012 0.122 1337 HA THR 82 HA THR 82 -1.154 8.693 0.041 1338 HB THR 82 HB THR 82 0.610 7.900 2.391 1339 HG1 THR 82 HG1 THR 82 -0.338 6.146 1.410 1340 1HG2 THR 82 1HG2 THR 82 -2.212 9.065 2.322 1341 2HG2 THR 82 2HG2 THR 82 -1.414 8.375 3.747 1342 3HG2 THR 82 3HG2 THR 82 -0.772 9.850 3.008 1343 H ALA 83 H ALA 83 2.256 9.447 1.005 1344 HA ALA 83 HA ALA 83 1.800 12.212 1.507 1345 1HB ALA 83 1HB ALA 83 4.254 10.847 0.298 1346 2HB ALA 83 2HB ALA 83 4.208 12.464 1.018 1347 3HB ALA 83 3HB ALA 83 3.911 11.036 2.028 1348 H CYS 84 H CYS 84 2.644 10.498 -1.537 1349 HA CYS 84 HA CYS 84 2.598 12.759 -3.232 1350 1HB CYS 84 1HB CYS 84 3.537 10.533 -3.822 1351 2HB CYS 84 2HB CYS 84 1.873 9.919 -3.987 1352 HG CYS 84 HG CYS 84 1.233 12.057 -5.640 1353 H HIS 85 H HIS 85 -0.073 10.721 -2.051 1354 HA HIS 85 HA HIS 85 -2.078 11.747 -3.803 1355 1HB HIS 85 1HB HIS 85 -2.175 9.613 -2.426 1356 2HB HIS 85 2HB HIS 85 -2.540 10.613 -1.016 1357 HD1 HIS 85 HD1 HIS 85 -4.810 12.422 -1.745 1358 HD2 HIS 85 HD2 HIS 85 -4.250 8.706 -3.620 1359 HE1 HIS 85 HE1 HIS 85 -6.996 11.859 -2.926 1360 H GLU 86 H GLU 86 -1.100 12.596 -0.446 1361 HA GLU 86 HA GLU 86 -2.937 14.738 -0.046 1362 1HB GLU 86 1HB GLU 86 -0.092 14.327 0.976 1363 2HB GLU 86 2HB GLU 86 -1.184 15.593 1.548 1364 1HG GLU 86 1HG GLU 86 -2.795 13.950 2.352 1365 2HG GLU 86 2HG GLU 86 -1.864 12.616 1.660 1366 H PHE 87 H PHE 87 0.371 14.735 -1.405 1367 HA PHE 87 HA PHE 87 0.544 17.447 -2.150 1368 1HB PHE 87 1HB PHE 87 2.450 16.154 -2.287 1369 2HB PHE 87 2HB PHE 87 1.700 14.878 -3.221 1370 HD1 PHE 87 HD1 PHE 87 3.440 18.094 -3.396 1371 HD2 PHE 87 HD2 PHE 87 1.422 15.025 -5.653 1372 HE1 PHE 87 HE1 PHE 87 4.310 19.068 -5.506 1373 HE2 PHE 87 HE2 PHE 87 2.315 15.985 -7.752 1374 HZ PHE 87 HZ PHE 87 3.743 18.019 -7.686 1375 H PHE 88 H PHE 88 -0.713 14.708 -4.081 1376 HA PHE 88 HA PHE 88 -1.329 16.272 -6.354 1377 1HB PHE 88 1HB PHE 88 -1.016 13.794 -6.143 1378 2HB PHE 88 2HB PHE 88 -2.666 13.683 -5.496 1379 HD1 PHE 88 HD1 PHE 88 -4.499 13.518 -7.054 1380 HD2 PHE 88 HD2 PHE 88 -0.630 14.808 -8.453 1381 HE1 PHE 88 HE1 PHE 88 -5.220 13.146 -9.398 1382 HE2 PHE 88 HE2 PHE 88 -1.359 14.438 -10.793 1383 HZ PHE 88 HZ PHE 88 -3.646 13.582 -11.267 1384 H GLU 89 H GLU 89 -3.296 15.462 -3.490 1385 HA GLU 89 HA GLU 89 -5.741 16.708 -4.349 1386 1HB GLU 89 1HB GLU 89 -4.509 16.263 -1.592 1387 2HB GLU 89 2HB GLU 89 -6.092 16.996 -1.837 1388 1HG GLU 89 1HG GLU 89 -6.938 14.976 -2.894 1389 2HG GLU 89 2HG GLU 89 -5.339 14.241 -2.881 1390 H HIS 90 H HIS 90 -3.215 18.013 -2.080 1391 HA HIS 90 HA HIS 90 -4.268 20.731 -2.685 1392 1HB HIS 90 1HB HIS 90 -3.980 19.955 -0.339 1393 2HB HIS 90 2HB HIS 90 -2.241 19.828 -0.614 1394 HD1 HIS 90 HD1 HIS 90 -2.039 21.680 1.392 1395 HD2 HIS 90 HD2 HIS 90 -3.949 22.933 -2.147 1396 HE1 HIS 90 HE1 HIS 90 -2.223 24.226 1.507 1397 H GLU 91 H GLU 91 -3.421 20.246 -4.904 1398 HA GLU 91 HA GLU 91 -0.579 20.195 -5.349 1399 1HB GLU 91 1HB GLU 91 -2.323 19.252 -6.877 1400 2HB GLU 91 2HB GLU 91 -2.840 20.899 -7.268 1401 1HG GLU 91 1HG GLU 91 -1.399 20.048 -9.025 1402 2HG GLU 91 2HG GLU 91 -0.555 21.358 -8.197 1403 1H LYS 62 H1 LYS 62 -35.471 -21.518 12.244 1404 2H LYS 62 H2 LYS 62 -34.383 -21.438 11.010 1405 3H LYS 62 H3 LYS 62 -35.996 -21.290 10.700 1406 HA LYS 62 HA LYS 62 -34.357 -19.403 12.228 1407 1HB LYS 62 1HB LYS 62 -35.665 -19.131 9.492 1408 2HB LYS 62 2HB LYS 62 -34.827 -17.847 10.356 1409 1HG LYS 62 1HG LYS 62 -33.590 -20.412 9.273 1410 2HG LYS 62 2HG LYS 62 -33.436 -18.797 8.602 1411 1HD LYS 62 1HD LYS 62 -32.293 -19.796 11.251 1412 2HD LYS 62 2HD LYS 62 -31.408 -19.361 9.795 1413 1HE LYS 62 1HE LYS 62 -32.925 -17.456 11.633 1414 2HE LYS 62 2HE LYS 62 -31.179 -17.576 11.408 1415 1HZ LYS 62 1HZ LYS 62 -32.011 -15.763 10.173 1416 2HZ LYS 62 2HZ LYS 62 -31.523 -16.921 9.110 1417 3HZ LYS 62 3HZ LYS 62 -33.129 -16.688 9.395 1418 H ARG 63 H ARG 63 -36.037 -20.003 13.900 1419 HA ARG 63 HA ARG 63 -38.634 -18.591 13.537 1420 1HB ARG 63 1HB ARG 63 -37.579 -20.153 15.914 1421 2HB ARG 63 2HB ARG 63 -39.224 -19.568 15.677 1422 1HG ARG 63 1HG ARG 63 -37.851 -21.746 14.021 1423 2HG ARG 63 2HG ARG 63 -39.020 -21.984 15.317 1424 1HD ARG 63 1HD ARG 63 -40.196 -22.238 13.249 1425 2HD ARG 63 2HD ARG 63 -40.725 -20.714 13.992 1426 HE ARG 63 HE ARG 63 -38.493 -20.374 12.182 1427 1HH1 ARG 63 2HH2 ARG 63 -41.975 -20.858 12.064 1428 2HH1 ARG 63 1HH2 ARG 63 -42.228 -19.699 10.784 1429 1HH2 ARG 63 2HH1 ARG 63 -38.802 -18.719 10.732 1430 2HH2 ARG 63 1HH1 ARG 63 -40.344 -18.511 9.930 1431 H LEU 64 H LEU 64 -35.509 -17.805 14.437 1432 HA LEU 64 HA LEU 64 -36.356 -15.334 15.726 1433 1HB LEU 64 1HB LEU 64 -35.634 -16.850 17.586 1434 2HB LEU 64 2HB LEU 64 -34.123 -17.169 16.726 1435 HG LEU 64 HG LEU 64 -33.478 -14.772 16.975 1436 1HD1 LEU 64 1HD1 LEU 64 -35.698 -13.688 17.123 1437 2HD1 LEU 64 2HD1 LEU 64 -36.050 -14.584 18.616 1438 3HD1 LEU 64 3HD1 LEU 64 -34.767 -13.359 18.586 1439 1HD2 LEU 64 1HD2 LEU 64 -34.248 -16.157 19.574 1440 2HD2 LEU 64 2HD2 LEU 64 -32.774 -16.456 18.627 1441 3HD2 LEU 64 3HD2 LEU 64 -33.031 -14.877 19.386 1442 H ARG 65 H ARG 65 -34.721 -13.699 15.143 1443 HA ARG 65 HA ARG 65 -33.380 -12.617 13.681 1444 1HB ARG 65 1HB ARG 65 -32.341 -15.290 12.637 1445 2HB ARG 65 2HB ARG 65 -31.763 -13.684 12.261 1446 1HG ARG 65 1HG ARG 65 -31.043 -13.333 14.584 1447 2HG ARG 65 2HG ARG 65 -31.725 -14.903 15.061 1448 1HD ARG 65 1HD ARG 65 -29.283 -15.058 14.695 1449 2HD ARG 65 2HD ARG 65 -30.200 -16.082 13.567 1450 HE ARG 65 HE ARG 65 -29.659 -13.425 12.523 1451 1HH1 ARG 65 2HH2 ARG 65 -28.148 -16.576 13.028 1452 2HH1 ARG 65 1HH2 ARG 65 -27.084 -16.458 11.652 1453 1HH2 ARG 65 2HH1 ARG 65 -28.308 -13.258 10.712 1454 2HH2 ARG 65 1HH1 ARG 65 -27.165 -14.510 10.310 1455 H ARG 66 H ARG 66 -34.674 -15.579 12.181 1456 HA ARG 66 HA ARG 66 -36.149 -15.978 10.557 1457 1HB ARG 66 1HB ARG 66 -36.847 -13.065 10.188 1458 2HB ARG 66 2HB ARG 66 -37.806 -14.519 9.908 1459 1HG ARG 66 1HG ARG 66 -37.014 -13.419 12.646 1460 2HG ARG 66 2HG ARG 66 -38.556 -13.184 11.854 1461 1HD ARG 66 1HD ARG 66 -37.490 -15.947 12.561 1462 2HD ARG 66 2HD ARG 66 -38.490 -14.941 13.625 1463 HE ARG 66 HE ARG 66 -39.517 -15.416 10.908 1464 1HH1 ARG 66 1HH2 ARG 66 -39.658 -16.501 14.318 1465 2HH1 ARG 66 2HH2 ARG 66 -41.290 -17.079 14.163 1466 1HH2 ARG 66 2HH1 ARG 66 -41.643 -16.156 10.771 1467 2HH2 ARG 66 1HH1 ARG 66 -42.407 -16.937 12.130 1468 H SER 67 H SER 67 -34.753 -12.796 9.670 1469 HA SER 67 HA SER 67 -33.956 -13.596 7.012 1470 1HB SER 67 1HB SER 67 -33.011 -11.284 8.763 1471 2HB SER 67 2HB SER 67 -32.859 -11.409 6.996 1472 HG SER 67 HG SER 67 -34.714 -10.170 7.708 1473 H ALA 68 H ALA 68 -32.076 -14.654 6.445 1474 HA ALA 68 HA ALA 68 -30.082 -15.432 8.443 1475 1HB ALA 68 1HB ALA 68 -30.137 -15.740 5.413 1476 2HB ALA 68 2HB ALA 68 -28.983 -16.504 6.527 1477 3HB ALA 68 3HB ALA 68 -30.703 -16.936 6.602 1478 H HIS 69 H HIS 69 -29.927 -13.007 8.976 1479 HA HIS 69 HA HIS 69 -28.486 -11.318 7.116 1480 1HB HIS 69 1HB HIS 69 -28.573 -9.663 8.894 1481 2HB HIS 69 2HB HIS 69 -30.140 -10.420 8.620 1482 HD1 HIS 69 HD1 HIS 69 -27.212 -10.726 11.107 1483 HD2 HIS 69 HD2 HIS 69 -31.356 -11.346 10.779 1484 HE1 HIS 69 HE1 HIS 69 -28.064 -11.308 13.473 1485 H ALA 70 H ALA 70 -26.830 -13.375 7.086 1486 HA ALA 70 HA ALA 70 -24.334 -12.329 7.967 1487 1HB ALA 70 1HB ALA 70 -25.285 -14.870 9.387 1488 2HB ALA 70 2HB ALA 70 -23.665 -14.158 9.498 1489 3HB ALA 70 3HB ALA 70 -25.046 -13.296 10.181 1490 H ARG 71 H ARG 71 -22.636 -14.238 7.503 1491 HA ARG 71 HA ARG 71 -21.761 -15.856 6.252 1492 1HB ARG 71 1HB ARG 71 -24.534 -16.697 5.330 1493 2HB ARG 71 2HB ARG 71 -23.035 -17.608 5.225 1494 1HG ARG 71 1HG ARG 71 -24.494 -16.846 7.796 1495 2HG ARG 71 2HG ARG 71 -24.421 -18.437 7.035 1496 1HD ARG 71 1HD ARG 71 -21.930 -18.436 7.342 1497 2HD ARG 71 2HD ARG 71 -22.082 -16.911 8.256 1498 HE ARG 71 HE ARG 71 -23.862 -18.804 9.375 1499 1HH1 ARG 71 2HH1 ARG 71 -20.391 -18.246 9.045 1500 2HH1 ARG 71 1HH1 ARG 71 -19.964 -19.092 10.507 1501 1HH2 ARG 71 2HH2 ARG 71 -23.326 -19.926 11.291 1502 2HH2 ARG 71 1HH2 ARG 71 -21.668 -20.064 11.808 1503 H LYS 72 H LYS 72 -24.397 -14.233 4.466 1504 HA LYS 72 HA LYS 72 -23.618 -14.764 1.938 1505 1HB LYS 72 1HB LYS 72 -25.676 -13.594 2.797 1506 2HB LYS 72 2HB LYS 72 -24.768 -12.073 2.744 1507 1HG LYS 72 1HG LYS 72 -24.358 -12.445 0.308 1508 2HG LYS 72 2HG LYS 72 -25.246 -13.971 0.383 1509 1HD LYS 72 1HD LYS 72 -26.444 -11.223 0.975 1510 2HD LYS 72 2HD LYS 72 -26.549 -12.087 -0.569 1511 1HE LYS 72 1HE LYS 72 -27.716 -13.979 0.618 1512 2HE LYS 72 2HE LYS 72 -27.721 -13.001 2.100 1513 1HZ LYS 72 1HZ LYS 72 -28.979 -11.349 0.945 1514 2HZ LYS 72 2HZ LYS 72 -28.992 -12.257 -0.432 1515 3HZ LYS 72 3HZ LYS 72 -29.756 -12.802 0.923 1516 H GLU 73 H GLU 73 -22.085 -12.257 3.946 1517 HA GLU 73 HA GLU 73 -20.540 -10.892 2.109 1518 1HB GLU 73 1HB GLU 73 -18.889 -10.607 3.875 1519 2HB GLU 73 2HB GLU 73 -20.523 -10.298 4.442 1520 1HG GLU 73 1HG GLU 73 -19.045 -12.935 4.946 1521 2HG GLU 73 2HG GLU 73 -18.961 -11.539 6.012 1522 H THR 74 H THR 74 -20.121 -14.222 3.111 1523 HA THR 74 HA THR 74 -17.535 -14.797 2.256 1524 HB THR 74 HB THR 74 -19.995 -16.575 2.038 1525 HG1 THR 74 HG1 THR 74 -19.838 -15.931 4.110 1526 1HG2 THR 74 1HG2 THR 74 -17.021 -17.226 2.292 1527 2HG2 THR 74 2HG2 THR 74 -18.344 -18.401 2.429 1528 3HG2 THR 74 3HG2 THR 74 -18.054 -17.578 0.888 1529 H GLU 75 H GLU 75 -20.442 -14.185 0.286 1530 HA GLU 75 HA GLU 75 -19.799 -15.354 -2.154 1531 1HB GLU 75 1HB GLU 75 -21.060 -12.670 -1.469 1532 2HB GLU 75 2HB GLU 75 -20.945 -13.265 -3.128 1533 1HG GLU 75 1HG GLU 75 -22.276 -15.230 -2.613 1534 2HG GLU 75 2HG GLU 75 -22.367 -14.791 -0.906 1535 H PHE 76 H PHE 76 -18.493 -12.326 -0.756 1536 HA PHE 76 HA PHE 76 -16.869 -11.866 -3.201 1537 1HB PHE 76 1HB PHE 76 -16.696 -10.028 -0.864 1538 2HB PHE 76 2HB PHE 76 -16.733 -9.690 -2.588 1539 HD1 PHE 76 HD1 PHE 76 -19.089 -10.395 -3.771 1540 HD2 PHE 76 HD2 PHE 76 -18.572 -9.477 0.417 1541 HE1 PHE 76 HE1 PHE 76 -21.542 -10.233 -3.497 1542 HE2 PHE 76 HE2 PHE 76 -21.026 -9.176 0.639 1543 HZ PHE 76 HZ PHE 76 -22.500 -9.606 -1.267 1544 H LEU 77 H LEU 77 -16.503 -12.248 0.337 1545 HA LEU 77 HA LEU 77 -13.693 -12.025 0.456 1546 1HB LEU 77 1HB LEU 77 -15.579 -13.623 2.218 1547 2HB LEU 77 2HB LEU 77 -13.909 -13.238 2.638 1548 HG LEU 77 HG LEU 77 -16.032 -11.103 2.097 1549 1HD1 LEU 77 1HD1 LEU 77 -16.675 -12.490 4.026 1550 2HD1 LEU 77 2HD1 LEU 77 -15.069 -12.252 4.747 1551 3HD1 LEU 77 3HD1 LEU 77 -16.167 -10.871 4.542 1552 1HD2 LEU 77 1HD2 LEU 77 -14.443 -9.631 3.307 1553 2HD2 LEU 77 2HD2 LEU 77 -13.291 -10.971 3.440 1554 3HD2 LEU 77 3HD2 LEU 77 -13.692 -10.285 1.850 1555 H ARG 78 H ARG 78 -15.699 -14.812 -0.372 1556 HA ARG 78 HA ARG 78 -14.006 -16.970 -0.324 1557 1HB ARG 78 1HB ARG 78 -16.234 -17.197 -1.106 1558 2HB ARG 78 2HB ARG 78 -16.000 -15.963 -2.358 1559 1HG ARG 78 1HG ARG 78 -14.607 -17.494 -3.674 1560 2HG ARG 78 2HG ARG 78 -14.665 -18.710 -2.379 1561 1HD ARG 78 1HD ARG 78 -16.279 -19.167 -4.251 1562 2HD ARG 78 2HD ARG 78 -17.061 -18.978 -2.688 1563 HE ARG 78 HE ARG 78 -17.920 -16.889 -3.254 1564 1HH1 ARG 78 1HH1 ARG 78 -16.189 -18.237 -6.064 1565 2HH1 ARG 78 2HH1 ARG 78 -16.788 -17.001 -7.143 1566 1HH2 ARG 78 1HH2 ARG 78 -18.450 -15.208 -4.627 1567 2HH2 ARG 78 2HH2 ARG 78 -18.405 -15.470 -6.357 1568 H LEU 79 H LEU 79 -13.952 -14.300 -2.802 1569 HA LEU 79 HA LEU 79 -12.129 -15.790 -4.474 1570 1HB LEU 79 1HB LEU 79 -12.824 -12.825 -4.429 1571 2HB LEU 79 2HB LEU 79 -11.737 -13.592 -5.585 1572 HG LEU 79 HG LEU 79 -13.794 -13.335 -6.672 1573 1HD1 LEU 79 1HD1 LEU 79 -12.605 -15.507 -7.033 1574 2HD1 LEU 79 2HD1 LEU 79 -14.332 -15.521 -7.416 1575 3HD1 LEU 79 3HD1 LEU 79 -13.768 -16.272 -5.919 1576 1HD2 LEU 79 1HD2 LEU 79 -15.259 -14.848 -4.480 1577 2HD2 LEU 79 2HD2 LEU 79 -15.273 -13.082 -4.701 1578 3HD2 LEU 79 3HD2 LEU 79 -15.938 -14.144 -5.948 1579 H LYS 80 H LYS 80 -11.500 -12.876 -2.421 1580 HA LYS 80 HA LYS 80 -8.697 -13.105 -2.776 1581 1HB LYS 80 1HB LYS 80 -8.403 -11.465 -1.103 1582 2HB LYS 80 2HB LYS 80 -9.796 -11.065 -2.096 1583 1HG LYS 80 1HG LYS 80 -10.638 -10.546 -0.066 1584 2HG LYS 80 2HG LYS 80 -11.177 -12.223 -0.135 1585 1HD LYS 80 1HD LYS 80 -9.162 -12.884 1.238 1586 2HD LYS 80 2HD LYS 80 -8.623 -11.204 1.240 1587 1HE LYS 80 1HE LYS 80 -11.272 -12.185 2.403 1588 2HE LYS 80 2HE LYS 80 -9.789 -11.925 3.335 1589 1HZ LYS 80 1HZ LYS 80 -11.201 -10.042 3.479 1590 2HZ LYS 80 2HZ LYS 80 -11.235 -9.854 1.845 1591 3HZ LYS 80 3HZ LYS 80 -9.827 -9.632 2.672 1592 H ARG 81 H ARG 81 -10.858 -14.606 -0.355 1593 HA ARG 81 HA ARG 81 -8.849 -15.745 1.267 1594 1HB ARG 81 1HB ARG 81 -11.202 -15.755 1.896 1595 2HB ARG 81 2HB ARG 81 -11.608 -16.793 0.523 1596 1HG ARG 81 1HG ARG 81 -11.551 -18.044 2.612 1597 2HG ARG 81 2HG ARG 81 -10.349 -18.659 1.481 1598 1HD ARG 81 1HD ARG 81 -8.545 -17.532 2.674 1599 2HD ARG 81 2HD ARG 81 -9.679 -16.703 3.741 1600 HE ARG 81 HE ARG 81 -8.699 -19.442 3.870 1601 1HH1 ARG 81 1HH2 ARG 81 -11.373 -17.348 4.839 1602 2HH1 ARG 81 2HH2 ARG 81 -11.818 -18.309 6.222 1603 1HH2 ARG 81 1HH1 ARG 81 -9.269 -20.715 5.663 1604 2HH2 ARG 81 2HH1 ARG 81 -10.599 -20.266 6.695 1605 H THR 82 H THR 82 -10.385 -17.012 -1.752 1606 HA THR 82 HA THR 82 -8.869 -19.432 -1.821 1607 HB THR 82 HB THR 82 -10.067 -17.863 -4.150 1608 HG1 THR 82 HG1 THR 82 -11.620 -18.396 -2.615 1609 1HG2 THR 82 1HG2 THR 82 -9.299 -20.803 -3.864 1610 2HG2 THR 82 2HG2 THR 82 -10.181 -20.092 -5.229 1611 3HG2 THR 82 3HG2 THR 82 -8.502 -19.620 -4.925 1612 H ARG 83 H ARG 83 -8.263 -16.170 -3.272 1613 HA ARG 83 HA ARG 83 -5.941 -16.953 -4.684 1614 1HB ARG 83 1HB ARG 83 -6.838 -14.272 -3.550 1615 2HB ARG 83 2HB ARG 83 -5.465 -14.461 -4.636 1616 1HG ARG 83 1HG ARG 83 -6.909 -15.454 -6.365 1617 2HG ARG 83 2HG ARG 83 -8.311 -15.308 -5.314 1618 1HD ARG 83 1HD ARG 83 -7.811 -12.788 -5.200 1619 2HD ARG 83 2HD ARG 83 -6.715 -13.038 -6.563 1620 HE ARG 83 HE ARG 83 -9.597 -12.914 -6.582 1621 1HH1 ARG 83 2HH2 ARG 83 -6.915 -14.553 -8.229 1622 2HH1 ARG 83 1HH2 ARG 83 -7.838 -14.892 -9.657 1623 1HH2 ARG 83 2HH1 ARG 83 -10.757 -13.252 -8.432 1624 2HH2 ARG 83 1HH1 ARG 83 -10.094 -14.120 -9.792 1625 H LEU 84 H LEU 84 -6.334 -15.757 -1.310 1626 HA LEU 84 HA LEU 84 -3.485 -15.796 -0.780 1627 1HB LEU 84 1HB LEU 84 -5.088 -14.481 0.554 1628 2HB LEU 84 2HB LEU 84 -5.915 -15.956 1.053 1629 HG LEU 84 HG LEU 84 -3.903 -16.692 2.294 1630 1HD1 LEU 84 1HD1 LEU 84 -2.044 -15.053 2.659 1631 2HD1 LEU 84 2HD1 LEU 84 -2.102 -15.646 0.999 1632 3HD1 LEU 84 3HD1 LEU 84 -2.725 -14.024 1.383 1633 1HD2 LEU 84 1HD2 LEU 84 -4.036 -15.006 4.077 1634 2HD2 LEU 84 2HD2 LEU 84 -4.778 -13.848 2.952 1635 3HD2 LEU 84 3HD2 LEU 84 -5.642 -15.333 3.404 1636 H GLY 85 H GLY 85 -6.177 -18.092 -0.362 1637 1HA GLY 85 1HA GLY 85 -4.944 -20.155 1.044 1638 2HA GLY 85 2HA GLY 85 -6.283 -20.341 -0.105 1639 H LEU 86 H LEU 86 -4.968 -19.513 -2.481 1640 HA LEU 86 HA LEU 86 -3.671 -21.854 -3.274 1641 1HB LEU 86 1HB LEU 86 -4.773 -20.177 -4.753 1642 2HB LEU 86 2HB LEU 86 -3.382 -19.104 -4.561 1643 HG LEU 86 HG LEU 86 -1.934 -20.658 -5.717 1644 1HD1 LEU 86 1HD1 LEU 86 -2.845 -22.786 -6.723 1645 2HD1 LEU 86 2HD1 LEU 86 -2.690 -22.852 -4.974 1646 3HD1 LEU 86 3HD1 LEU 86 -4.292 -22.597 -5.711 1647 1HD2 LEU 86 1HD2 LEU 86 -3.118 -20.816 -7.935 1648 2HD2 LEU 86 2HD2 LEU 86 -4.632 -20.385 -7.126 1649 3HD2 LEU 86 3HD2 LEU 86 -3.277 -19.234 -7.176 1650 H GLU 87 H GLU 87 -2.357 -19.107 -1.572 1651 HA GLU 87 HA GLU 87 -0.335 -18.630 -0.742 1652 1HB GLU 87 1HB GLU 87 -1.258 -20.586 0.492 1653 2HB GLU 87 2HB GLU 87 -0.219 -21.653 -0.461 1654 1HG GLU 87 1HG GLU 87 1.789 -20.470 0.448 1655 2HG GLU 87 2HG GLU 87 0.729 -19.359 1.332 1656 1H LYS 62 H1 LYS 62 28.661 22.052 12.138 1657 2H LYS 62 H2 LYS 62 28.744 23.696 12.031 1658 3H LYS 62 H3 LYS 62 29.326 22.758 10.811 1659 HA LYS 62 HA LYS 62 27.122 21.924 10.359 1660 1HB LYS 62 1HB LYS 62 26.308 23.970 12.461 1661 2HB LYS 62 2HB LYS 62 25.214 23.098 11.367 1662 1HG LYS 62 1HG LYS 62 25.889 20.945 12.328 1663 2HG LYS 62 2HG LYS 62 27.054 21.746 13.394 1664 1HD LYS 62 1HD LYS 62 25.013 21.160 14.593 1665 2HD LYS 62 2HD LYS 62 25.277 22.912 14.588 1666 1HE LYS 62 1HE LYS 62 23.551 23.244 12.911 1667 2HE LYS 62 2HE LYS 62 23.447 21.502 12.600 1668 1HZ LYS 62 1HZ LYS 62 22.588 21.211 14.788 1669 2HZ LYS 62 2HZ LYS 62 22.729 22.822 15.120 1670 3HZ LYS 62 3HZ LYS 62 21.672 22.304 13.966 1671 H ARG 63 H ARG 63 28.657 23.021 8.729 1672 HA ARG 63 HA ARG 63 28.448 25.804 8.151 1673 1HB ARG 63 1HB ARG 63 29.123 23.435 6.395 1674 2HB ARG 63 2HB ARG 63 29.360 25.119 5.922 1675 1HG ARG 63 1HG ARG 63 31.007 25.466 7.664 1676 2HG ARG 63 2HG ARG 63 30.688 23.880 8.386 1677 1HD ARG 63 1HD ARG 63 31.784 24.339 5.586 1678 2HD ARG 63 2HD ARG 63 32.737 23.851 7.007 1679 HE ARG 63 HE ARG 63 30.675 21.989 6.829 1680 1HH1 ARG 63 2HH2 ARG 63 33.380 22.990 4.792 1681 2HH1 ARG 63 1HH2 ARG 63 33.488 21.470 3.947 1682 1HH2 ARG 63 2HH1 ARG 63 30.803 20.015 5.763 1683 2HH2 ARG 63 1HH1 ARG 63 32.010 19.725 4.536 1684 H LEU 64 H LEU 64 26.550 26.747 7.744 1685 HA LEU 64 HA LEU 64 24.553 27.300 6.883 1686 1HB LEU 64 1HB LEU 64 24.883 25.156 4.757 1687 2HB LEU 64 2HB LEU 64 23.817 26.556 4.727 1688 HG LEU 64 HG LEU 64 26.870 26.652 4.645 1689 1HD1 LEU 64 1HD1 LEU 64 25.834 25.774 2.588 1690 2HD1 LEU 64 2HD1 LEU 64 24.776 27.199 2.503 1691 3HD1 LEU 64 3HD1 LEU 64 26.534 27.382 2.326 1692 1HD2 LEU 64 1HD2 LEU 64 26.010 28.677 5.747 1693 2HD2 LEU 64 2HD2 LEU 64 26.522 29.066 4.103 1694 3HD2 LEU 64 3HD2 LEU 64 24.794 28.886 4.466 1695 H ARG 65 H ARG 65 24.869 25.305 8.974 1696 HA ARG 65 HA ARG 65 23.476 24.429 10.413 1697 1HB ARG 65 1HB ARG 65 21.929 26.180 9.641 1698 2HB ARG 65 2HB ARG 65 21.134 25.028 8.560 1699 1HG ARG 65 1HG ARG 65 21.458 24.305 11.483 1700 2HG ARG 65 2HG ARG 65 20.271 25.534 11.049 1701 1HD ARG 65 1HD ARG 65 19.025 24.073 9.669 1702 2HD ARG 65 2HD ARG 65 20.258 22.829 9.655 1703 HE ARG 65 HE ARG 65 18.297 23.383 11.745 1704 1HH1 ARG 65 2HH2 ARG 65 21.434 21.809 11.046 1705 2HH1 ARG 65 1HH2 ARG 65 21.200 20.557 12.228 1706 1HH2 ARG 65 2HH1 ARG 65 18.101 21.824 13.407 1707 2HH2 ARG 65 1HH1 ARG 65 19.355 20.636 13.656 1708 H ARG 66 H ARG 66 22.698 23.248 7.150 1709 HA ARG 66 HA ARG 66 22.252 21.183 6.349 1710 1HB ARG 66 1HB ARG 66 24.128 19.643 6.617 1711 2HB ARG 66 2HB ARG 66 24.571 21.308 6.245 1712 1HG ARG 66 1HG ARG 66 25.212 21.659 8.649 1713 2HG ARG 66 2HG ARG 66 24.811 19.964 8.981 1714 1HD ARG 66 1HD ARG 66 27.228 20.200 8.600 1715 2HD ARG 66 2HD ARG 66 26.490 19.276 7.280 1716 HE ARG 66 HE ARG 66 26.718 22.210 6.919 1717 1HH1 ARG 66 1HH2 ARG 66 28.220 19.101 6.089 1718 2HH1 ARG 66 2HH2 ARG 66 28.705 19.653 4.506 1719 1HH2 ARG 66 2HH1 ARG 66 27.302 22.884 4.997 1720 2HH2 ARG 66 1HH1 ARG 66 28.251 21.915 3.875 1721 H SER 67 H SER 67 20.240 21.289 7.819 1722 HA SER 67 HA SER 67 19.739 19.815 10.000 1723 1HB SER 67 1HB SER 67 17.863 19.700 7.638 1724 2HB SER 67 2HB SER 67 17.513 20.022 9.349 1725 HG SER 67 HG SER 67 17.450 21.959 8.126 1726 H ALA 68 H ALA 68 20.248 18.496 6.754 1727 HA ALA 68 HA ALA 68 19.271 15.860 7.205 1728 1HB ALA 68 1HB ALA 68 19.641 16.830 4.969 1729 2HB ALA 68 2HB ALA 68 21.396 16.852 5.263 1730 3HB ALA 68 3HB ALA 68 20.528 15.306 5.165 1731 H HIS 69 H HIS 69 22.039 17.337 8.641 1732 HA HIS 69 HA HIS 69 23.935 15.355 8.760 1733 1HB HIS 69 1HB HIS 69 24.469 16.217 11.025 1734 2HB HIS 69 2HB HIS 69 24.288 17.466 9.795 1735 HD1 HIS 69 HD1 HIS 69 21.035 16.233 11.290 1736 HD2 HIS 69 HD2 HIS 69 23.925 19.228 11.862 1737 HE1 HIS 69 HE1 HIS 69 20.001 17.948 12.882 1738 H ALA 70 H ALA 70 24.213 13.430 9.716 1739 HA ALA 70 HA ALA 70 23.791 11.423 10.569 1740 1HB ALA 70 1HB ALA 70 22.353 11.116 12.527 1741 2HB ALA 70 2HB ALA 70 23.482 12.469 12.718 1742 3HB ALA 70 3HB ALA 70 21.772 12.785 12.393 1743 H ARG 71 H ARG 71 20.565 12.998 10.135 1744 HA ARG 71 HA ARG 71 19.425 10.513 9.084 1745 1HB ARG 71 1HB ARG 71 18.253 13.321 9.261 1746 2HB ARG 71 2HB ARG 71 17.405 11.855 8.783 1747 1HG ARG 71 1HG ARG 71 16.767 12.215 10.986 1748 2HG ARG 71 2HG ARG 71 17.876 10.843 11.030 1749 1HD ARG 71 1HD ARG 71 18.184 12.479 12.920 1750 2HD ARG 71 2HD ARG 71 19.625 12.221 11.989 1751 HE ARG 71 HE ARG 71 19.589 14.407 11.214 1752 1HH1 ARG 71 2HH1 ARG 71 16.553 13.684 12.888 1753 2HH1 ARG 71 1HH1 ARG 71 15.932 15.306 12.775 1754 1HH2 ARG 71 2HH2 ARG 71 18.652 16.506 10.851 1755 2HH2 ARG 71 1HH2 ARG 71 17.188 16.938 11.689 1756 H LYS 72 H LYS 72 21.454 10.769 7.499 1757 HA LYS 72 HA LYS 72 21.590 12.481 5.325 1758 1HB LYS 72 1HB LYS 72 22.170 9.496 5.562 1759 2HB LYS 72 2HB LYS 72 22.257 10.308 4.012 1760 1HG LYS 72 1HG LYS 72 24.442 10.331 4.752 1761 2HG LYS 72 2HG LYS 72 23.840 11.973 4.879 1762 1HD LYS 72 1HD LYS 72 25.188 11.504 6.828 1763 2HD LYS 72 2HD LYS 72 23.509 11.657 7.344 1764 1HE LYS 72 1HE LYS 72 24.604 9.776 8.483 1765 2HE LYS 72 2HE LYS 72 23.337 9.144 7.434 1766 1HZ LYS 72 1HZ LYS 72 25.023 8.591 5.824 1767 2HZ LYS 72 2HZ LYS 72 26.201 9.231 6.781 1768 3HZ LYS 72 3HZ LYS 72 25.364 7.903 7.277 1769 H GLU 73 H GLU 73 19.510 9.655 5.693 1770 HA GLU 73 HA GLU 73 18.417 9.339 3.247 1771 1HB GLU 73 1HB GLU 73 16.361 8.522 4.443 1772 2HB GLU 73 2HB GLU 73 17.869 7.788 4.947 1773 1HG GLU 73 1HG GLU 73 16.943 10.158 6.562 1774 2HG GLU 73 2HG GLU 73 16.024 8.660 6.685 1775 H THR 74 H THR 74 17.695 12.041 5.359 1776 HA THR 74 HA THR 74 15.391 13.184 4.342 1777 HB THR 74 HB THR 74 18.100 14.457 4.947 1778 HG1 THR 74 HG1 THR 74 17.438 13.566 6.759 1779 1HG2 THR 74 1HG2 THR 74 16.699 16.498 5.467 1780 2HG2 THR 74 2HG2 THR 74 16.840 16.115 3.746 1781 3HG2 THR 74 3HG2 THR 74 15.349 15.713 4.609 1782 H GLU 75 H GLU 75 18.616 13.065 2.774 1783 HA GLU 75 HA GLU 75 18.176 14.885 0.731 1784 1HB GLU 75 1HB GLU 75 20.092 13.929 -0.333 1785 2HB GLU 75 2HB GLU 75 20.318 13.908 1.420 1786 1HG GLU 75 1HG GLU 75 19.368 11.419 1.206 1787 2HG GLU 75 2HG GLU 75 19.833 11.628 -0.490 1788 H PHE 76 H PHE 76 16.940 11.564 0.908 1789 HA PHE 76 HA PHE 76 15.621 11.991 -1.754 1790 1HB PHE 76 1HB PHE 76 15.099 9.399 -1.202 1791 2HB PHE 76 2HB PHE 76 16.368 9.980 -2.250 1792 HD1 PHE 76 HD1 PHE 76 18.743 9.895 -1.623 1793 HD2 PHE 76 HD2 PHE 76 15.635 8.306 0.921 1794 HE1 PHE 76 HE1 PHE 76 20.434 8.705 -0.300 1795 HE2 PHE 76 HE2 PHE 76 17.339 7.049 2.195 1796 HZ PHE 76 HZ PHE 76 19.768 7.323 1.637 1797 H LEU 77 H LEU 77 15.033 10.878 1.622 1798 HA LEU 77 HA LEU 77 12.240 10.523 1.272 1799 1HB LEU 77 1HB LEU 77 13.747 11.179 3.825 1800 2HB LEU 77 2HB LEU 77 12.095 10.560 3.723 1801 HG LEU 77 HG LEU 77 14.640 9.101 2.925 1802 1HD1 LEU 77 1HD1 LEU 77 14.033 7.592 4.744 1803 2HD1 LEU 77 2HD1 LEU 77 14.101 9.259 5.354 1804 3HD1 LEU 77 3HD1 LEU 77 12.533 8.493 5.040 1805 1HD2 LEU 77 1HD2 LEU 77 13.152 7.128 2.513 1806 2HD2 LEU 77 2HD2 LEU 77 11.747 8.209 2.574 1807 3HD2 LEU 77 3HD2 LEU 77 12.977 8.398 1.303 1808 H ARG 78 H ARG 78 13.984 13.506 1.525 1809 HA ARG 78 HA ARG 78 12.144 15.342 2.408 1810 1HB ARG 78 1HB ARG 78 14.346 15.898 1.481 1811 2HB ARG 78 2HB ARG 78 13.783 15.423 -0.141 1812 1HG ARG 78 1HG ARG 78 12.171 17.330 -0.093 1813 2HG ARG 78 2HG ARG 78 12.679 17.700 1.564 1814 1HD ARG 78 1HD ARG 78 13.777 19.223 0.086 1815 2HD ARG 78 2HD ARG 78 15.017 18.133 0.686 1816 HE ARG 78 HE ARG 78 13.906 18.394 -2.038 1817 1HH1 ARG 78 1HH1 ARG 78 15.957 16.398 0.051 1818 2HH1 ARG 78 2HH1 ARG 78 16.668 15.518 -1.279 1819 1HH2 ARG 78 2HH2 ARG 78 14.986 17.391 -3.763 1820 2HH2 ARG 78 1HH2 ARG 78 16.255 16.229 -3.456 1821 H LEU 79 H LEU 79 11.957 13.372 -0.629 1822 HA LEU 79 HA LEU 79 9.853 14.869 -1.759 1823 1HB LEU 79 1HB LEU 79 9.759 13.432 -3.393 1824 2HB LEU 79 2HB LEU 79 11.285 12.897 -2.736 1825 HG LEU 79 HG LEU 79 10.012 11.120 -3.534 1826 1HD1 LEU 79 1HD1 LEU 79 10.090 9.500 -1.869 1827 2HD1 LEU 79 2HD1 LEU 79 11.342 10.679 -1.456 1828 3HD1 LEU 79 3HD1 LEU 79 9.822 10.629 -0.556 1829 1HD2 LEU 79 1HD2 LEU 79 7.753 12.081 -3.361 1830 2HD2 LEU 79 2HD2 LEU 79 7.890 10.361 -2.985 1831 3HD2 LEU 79 3HD2 LEU 79 7.669 11.517 -1.680 1832 H LYS 80 H LYS 80 9.666 12.215 0.659 1833 HA LYS 80 HA LYS 80 6.731 12.224 0.522 1834 1HB LYS 80 1HB LYS 80 6.651 10.675 2.171 1835 2HB LYS 80 2HB LYS 80 7.783 10.157 0.926 1836 1HG LYS 80 1HG LYS 80 9.675 10.444 2.361 1837 2HG LYS 80 2HG LYS 80 8.747 11.392 3.551 1838 1HD LYS 80 1HD LYS 80 7.252 9.484 3.936 1839 2HD LYS 80 2HD LYS 80 8.199 8.501 2.807 1840 1HE LYS 80 1HE LYS 80 10.201 8.760 4.280 1841 2HE LYS 80 2HE LYS 80 9.261 9.775 5.390 1842 1HZ LYS 80 1HZ LYS 80 8.696 6.962 4.758 1843 2HZ LYS 80 2HZ LYS 80 9.397 7.522 6.140 1844 3HZ LYS 80 3HZ LYS 80 7.834 7.907 5.791 1845 H ARG 81 H ARG 81 9.301 13.515 2.598 1846 HA ARG 81 HA ARG 81 7.719 14.572 4.668 1847 1HB ARG 81 1HB ARG 81 10.273 14.433 4.395 1848 2HB ARG 81 2HB ARG 81 10.166 15.958 3.502 1849 1HG ARG 81 1HG ARG 81 9.101 17.024 5.487 1850 2HG ARG 81 2HG ARG 81 9.223 15.493 6.371 1851 1HD ARG 81 1HD ARG 81 11.558 17.115 5.266 1852 2HD ARG 81 2HD ARG 81 11.054 17.031 6.969 1853 HE ARG 81 HE ARG 81 11.496 14.386 6.103 1854 1HH1 ARG 81 2HH2 ARG 81 13.363 17.321 6.729 1855 2HH1 ARG 81 1HH2 ARG 81 14.868 16.463 6.975 1856 1HH2 ARG 81 2HH1 ARG 81 13.480 13.273 6.428 1857 2HH2 ARG 81 1HH1 ARG 81 14.965 14.165 6.666 1858 H THR 82 H THR 82 8.715 16.097 1.582 1859 HA THR 82 HA THR 82 7.266 18.529 2.003 1860 HB THR 82 HB THR 82 8.224 17.319 -0.630 1861 HG1 THR 82 HG1 THR 82 9.933 17.430 0.753 1862 1HG2 THR 82 1HG2 THR 82 7.739 20.207 0.240 1863 2HG2 THR 82 2HG2 THR 82 8.422 19.689 -1.314 1864 3HG2 THR 82 3HG2 THR 82 6.741 19.297 -0.916 1865 H ARG 83 H ARG 83 6.522 15.573 -0.023 1866 HA ARG 83 HA ARG 83 4.161 16.747 -1.035 1867 1HB ARG 83 1HB ARG 83 5.122 13.861 -0.872 1868 2HB ARG 83 2HB ARG 83 3.638 14.346 -1.675 1869 1HG ARG 83 1HG ARG 83 4.991 15.959 -3.107 1870 2HG ARG 83 2HG ARG 83 6.440 15.218 -2.440 1871 1HD ARG 83 1HD ARG 83 5.346 12.953 -3.210 1872 2HD ARG 83 2HD ARG 83 4.288 14.005 -4.188 1873 HE ARG 83 HE ARG 83 7.045 14.688 -4.570 1874 1HH1 ARG 83 1HH1 ARG 83 4.566 12.340 -5.561 1875 2HH1 ARG 83 2HH1 ARG 83 5.589 11.585 -6.753 1876 1HH2 ARG 83 2HH2 ARG 83 8.290 13.822 -6.296 1877 2HH2 ARG 83 1HH2 ARG 83 7.587 12.629 -7.353 1878 H LEU 84 H LEU 84 4.704 14.705 1.870 1879 HA LEU 84 HA LEU 84 1.881 14.599 2.572 1880 1HB LEU 84 1HB LEU 84 3.530 13.019 3.435 1881 2HB LEU 84 2HB LEU 84 4.418 14.305 4.253 1882 HG LEU 84 HG LEU 84 1.496 14.028 4.918 1883 1HD1 LEU 84 1HD1 LEU 84 1.961 12.214 6.528 1884 2HD1 LEU 84 2HD1 LEU 84 2.228 11.681 4.861 1885 3HD1 LEU 84 3HD1 LEU 84 3.618 12.073 5.899 1886 1HD2 LEU 84 1HD2 LEU 84 3.991 14.491 6.620 1887 2HD2 LEU 84 2HD2 LEU 84 2.886 15.761 6.058 1888 3HD2 LEU 84 3HD2 LEU 84 2.312 14.536 7.192 1889 H GLY 85 H GLY 85 4.682 16.717 3.324 1890 1HA GLY 85 1HA GLY 85 3.674 18.485 5.138 1891 2HA GLY 85 2HA GLY 85 4.804 18.914 3.843 1892 H LEU 86 H LEU 86 3.069 18.551 1.581 1893 HA LEU 86 HA LEU 86 1.670 21.019 1.554 1894 1HB LEU 86 1HB LEU 86 1.052 18.587 -0.164 1895 2HB LEU 86 2HB LEU 86 0.503 20.239 -0.433 1896 HG LEU 86 HG LEU 86 3.201 19.032 -0.916 1897 1HD1 LEU 86 1HD1 LEU 86 1.534 21.146 -2.365 1898 2HD1 LEU 86 2HD1 LEU 86 2.990 20.361 -2.988 1899 3HD1 LEU 86 3HD1 LEU 86 1.509 19.416 -2.735 1900 1HD2 LEU 86 1HD2 LEU 86 4.224 21.296 -1.120 1901 2HD2 LEU 86 2HD2 LEU 86 2.793 22.006 -0.349 1902 3HD2 LEU 86 3HD2 LEU 86 3.851 20.895 0.556 1903 H GLU 87 H GLU 87 0.523 17.862 2.702 1904 HA GLU 87 HA GLU 87 -1.503 17.131 3.398 1905 1HB GLU 87 1HB GLU 87 -1.552 19.926 4.603 1906 2HB GLU 87 2HB GLU 87 -2.593 18.572 5.077 1907 1HG GLU 87 1HG GLU 87 -0.542 17.226 5.625 1908 2HG GLU 87 2HG GLU 87 0.450 18.646 5.264 Start of MODEL 11 1 1H SER 1 1H SER 1 10.055 3.476 -13.041 2 2H SER 1 2H SER 1 9.107 2.213 -12.542 3 3H SER 1 3H SER 1 8.665 3.767 -12.219 4 HA SER 1 HA SER 1 8.263 4.227 -14.473 5 1HB SER 1 1HB SER 1 8.558 2.449 -16.185 6 2HB SER 1 2HB SER 1 10.093 2.958 -15.444 7 HG SER 1 HG SER 1 10.056 1.063 -14.174 8 H GLU 2 H GLU 2 7.657 0.786 -14.341 9 HA GLU 2 HA GLU 2 4.886 0.763 -14.641 10 1HB GLU 2 1HB GLU 2 6.649 -1.160 -13.059 11 2HB GLU 2 2HB GLU 2 4.977 -1.484 -13.542 12 1HG GLU 2 1HG GLU 2 5.654 -1.226 -15.935 13 2HG GLU 2 2HG GLU 2 7.338 -1.018 -15.415 14 H LEU 3 H LEU 3 6.717 0.709 -11.522 15 HA LEU 3 HA LEU 3 4.320 0.715 -9.946 16 1HB LEU 3 1HB LEU 3 7.035 1.749 -9.085 17 2HB LEU 3 2HB LEU 3 5.667 1.292 -8.055 18 HG LEU 3 HG LEU 3 7.397 -0.558 -9.739 19 1HD1 LEU 3 1HD1 LEU 3 8.253 0.121 -7.511 20 2HD1 LEU 3 2HD1 LEU 3 6.741 -0.435 -6.763 21 3HD1 LEU 3 3HD1 LEU 3 7.819 -1.597 -7.557 22 1HD2 LEU 3 1HD2 LEU 3 4.767 -1.163 -8.347 23 2HD2 LEU 3 2HD2 LEU 3 5.948 -2.400 -8.817 24 3HD2 LEU 3 3HD2 LEU 3 5.171 -1.424 -10.066 25 H GLU 4 H GLU 4 6.297 3.429 -11.222 26 HA GLU 4 HA GLU 4 4.857 5.445 -9.746 27 1HB GLU 4 1HB GLU 4 6.513 5.606 -12.285 28 2HB GLU 4 2HB GLU 4 5.796 7.004 -11.460 29 1HG GLU 4 1HG GLU 4 6.976 6.443 -9.371 30 2HG GLU 4 2HG GLU 4 7.679 5.018 -10.124 31 H LYS 5 H LYS 5 4.397 3.905 -12.922 32 HA LYS 5 HA LYS 5 2.233 5.508 -13.836 33 1HB LYS 5 1HB LYS 5 3.669 3.746 -15.062 34 2HB LYS 5 2HB LYS 5 2.526 2.551 -14.455 35 1HG LYS 5 1HG LYS 5 1.937 4.953 -16.247 36 2HG LYS 5 2HG LYS 5 2.010 3.253 -16.722 37 1HD LYS 5 1HD LYS 5 0.058 2.822 -15.119 38 2HD LYS 5 2HD LYS 5 -0.091 4.591 -14.972 39 1HE LYS 5 1HE LYS 5 -0.373 4.774 -17.431 40 2HE LYS 5 2HE LYS 5 -0.277 3.008 -17.569 41 1HZ LYS 5 1HZ LYS 5 -2.522 3.765 -17.526 42 2HZ LYS 5 2HZ LYS 5 -2.217 2.860 -16.183 43 3HZ LYS 5 3HZ LYS 5 -2.309 4.502 -16.068 44 H ALA 6 H ALA 6 2.293 2.361 -12.145 45 HA ALA 6 HA ALA 6 -0.420 1.948 -11.665 46 1HB ALA 6 1HB ALA 6 2.024 1.290 -9.958 47 2HB ALA 6 2HB ALA 6 0.444 0.560 -9.718 48 3HB ALA 6 3HB ALA 6 1.332 0.288 -11.234 49 H VAL 7 H VAL 7 1.945 3.586 -9.563 50 HA VAL 7 HA VAL 7 0.244 4.436 -7.498 51 HB VAL 7 HB VAL 7 2.901 5.321 -8.600 52 1HG1 VAL 7 1HG1 VAL 7 1.476 6.626 -6.281 53 2HG1 VAL 7 2HG1 VAL 7 3.218 6.684 -6.591 54 3HG1 VAL 7 3HG1 VAL 7 2.089 7.391 -7.766 55 1HG2 VAL 7 1HG2 VAL 7 3.719 4.340 -6.520 56 2HG2 VAL 7 2HG2 VAL 7 2.061 4.129 -5.925 57 3HG2 VAL 7 3HG2 VAL 7 2.636 3.163 -7.283 58 H VAL 8 H VAL 8 1.236 6.415 -10.426 59 HA VAL 8 HA VAL 8 -0.479 8.534 -9.570 60 HB VAL 8 HB VAL 8 -0.291 9.526 -11.739 61 1HG1 VAL 8 1HG1 VAL 8 1.482 9.858 -10.097 62 2HG1 VAL 8 2HG1 VAL 8 2.361 8.443 -10.709 63 3HG1 VAL 8 3HG1 VAL 8 2.137 9.866 -11.742 64 1HG2 VAL 8 1HG2 VAL 8 -0.371 7.564 -13.225 65 2HG2 VAL 8 2HG2 VAL 8 1.047 8.572 -13.543 66 3HG2 VAL 8 3HG2 VAL 8 1.226 7.069 -12.632 67 H ALA 9 H ALA 9 -1.165 5.662 -11.621 68 HA ALA 9 HA ALA 9 -3.807 6.460 -12.343 69 1HB ALA 9 1HB ALA 9 -2.697 4.502 -13.335 70 2HB ALA 9 2HB ALA 9 -2.805 3.640 -11.783 71 3HB ALA 9 3HB ALA 9 -4.285 4.099 -12.641 72 H LEU 10 H LEU 10 -2.669 4.562 -9.494 73 HA LEU 10 HA LEU 10 -5.174 4.271 -8.196 74 1HB LEU 10 1HB LEU 10 -2.359 4.512 -7.096 75 2HB LEU 10 2HB LEU 10 -3.748 4.124 -6.087 76 HG LEU 10 HG LEU 10 -3.148 2.446 -8.546 77 1HD1 LEU 10 1HD1 LEU 10 -1.937 2.097 -5.775 78 2HD1 LEU 10 2HD1 LEU 10 -1.838 0.921 -7.103 79 3HD1 LEU 10 3HD1 LEU 10 -1.050 2.497 -7.259 80 1HD2 LEU 10 1HD2 LEU 10 -4.417 1.762 -5.853 81 2HD2 LEU 10 2HD2 LEU 10 -5.322 2.124 -7.333 82 3HD2 LEU 10 3HD2 LEU 10 -4.283 0.697 -7.265 83 H ILE 11 H ILE 11 -2.754 6.910 -7.821 84 HA ILE 11 HA ILE 11 -4.309 8.402 -5.970 85 HB ILE 11 HB ILE 11 -2.169 9.252 -7.954 86 1HG1 ILE 11 1HG1 ILE 11 -2.188 8.800 -4.927 87 2HG1 ILE 11 2HG1 ILE 11 -1.468 7.727 -6.132 88 1HG2 ILE 11 1HG2 ILE 11 -3.635 11.218 -7.371 89 2HG2 ILE 11 2HG2 ILE 11 -3.305 10.876 -5.657 90 3HG2 ILE 11 3HG2 ILE 11 -1.996 11.359 -6.750 91 1HD1 ILE 11 1HD1 ILE 11 -0.532 10.498 -5.288 92 2HD1 ILE 11 2HD1 ILE 11 0.302 8.950 -5.156 93 3HD1 ILE 11 3HD1 ILE 11 0.069 9.676 -6.756 94 H ASP 12 H ASP 12 -4.122 8.715 -9.546 95 HA ASP 12 HA ASP 12 -5.858 10.921 -9.754 96 1HB ASP 12 1HB ASP 12 -4.401 10.226 -11.574 97 2HB ASP 12 2HB ASP 12 -5.238 8.672 -11.716 98 H VAL 13 H VAL 13 -6.615 7.415 -10.094 99 HA VAL 13 HA VAL 13 -9.417 7.850 -10.596 100 HB VAL 13 HB VAL 13 -7.921 5.438 -9.547 101 1HG1 VAL 13 1HG1 VAL 13 -10.352 5.258 -9.000 102 2HG1 VAL 13 2HG1 VAL 13 -10.741 5.690 -10.679 103 3HG1 VAL 13 3HG1 VAL 13 -9.948 4.154 -10.324 104 1HG2 VAL 13 1HG2 VAL 13 -8.160 4.625 -11.885 105 2HG2 VAL 13 2HG2 VAL 13 -8.962 6.140 -12.336 106 3HG2 VAL 13 3HG2 VAL 13 -7.257 6.146 -11.858 107 H PHE 14 H PHE 14 -7.579 7.026 -7.575 108 HA PHE 14 HA PHE 14 -9.792 6.928 -5.855 109 1HB PHE 14 1HB PHE 14 -7.516 6.265 -5.221 110 2HB PHE 14 2HB PHE 14 -6.989 7.944 -5.272 111 HD1 PHE 14 HD1 PHE 14 -8.794 5.389 -3.359 112 HD2 PHE 14 HD2 PHE 14 -7.960 9.616 -3.598 113 HE1 PHE 14 HE1 PHE 14 -9.547 5.700 -1.008 114 HE2 PHE 14 HE2 PHE 14 -8.706 9.896 -1.285 115 HZ PHE 14 HZ PHE 14 -9.494 7.936 0.030 116 H HIS 15 H HIS 15 -7.784 9.791 -6.745 117 HA HIS 15 HA HIS 15 -9.072 11.726 -5.155 118 1HB HIS 15 1HB HIS 15 -7.716 11.876 -7.882 119 2HB HIS 15 2HB HIS 15 -8.464 13.286 -7.139 120 HD1 HIS 15 HD1 HIS 15 -6.158 14.546 -6.960 121 HD2 HIS 15 HD2 HIS 15 -6.463 10.928 -4.826 122 HE1 HIS 15 HE1 HIS 15 -4.181 14.466 -5.367 123 H GLN 16 H GLN 16 -9.818 10.767 -8.563 124 HA GLN 16 HA GLN 16 -12.001 12.570 -8.850 125 1HB GLN 16 1HB GLN 16 -11.349 9.902 -10.155 126 2HB GLN 16 2HB GLN 16 -12.748 10.872 -10.639 127 1HG GLN 16 1HG GLN 16 -11.416 12.690 -11.376 128 2HG GLN 16 2HG GLN 16 -9.959 12.071 -10.582 129 1HE2 GLN 16 1HE2 GLN 16 -9.137 9.972 -11.310 130 2HE2 GLN 16 2HE2 GLN 16 -9.157 9.640 -13.039 131 H TYR 17 H TYR 17 -12.027 9.090 -7.902 132 HA TYR 17 HA TYR 17 -14.866 8.910 -7.674 133 1HB TYR 17 1HB TYR 17 -12.558 7.278 -6.592 134 2HB TYR 17 2HB TYR 17 -14.217 6.901 -6.165 135 HD1 TYR 17 HD1 TYR 17 -14.992 5.033 -7.292 136 HD2 TYR 17 HD2 TYR 17 -12.633 7.893 -9.502 137 HE1 TYR 17 HE1 TYR 17 -15.085 3.591 -9.311 138 HE2 TYR 17 HE2 TYR 17 -12.904 6.559 -11.527 139 HH TYR 17 HH TYR 17 -14.542 3.383 -11.553 140 H SER 18 H SER 18 -12.376 9.412 -5.162 141 HA SER 18 HA SER 18 -14.044 9.912 -2.931 142 1HB SER 18 1HB SER 18 -11.311 11.041 -3.573 143 2HB SER 18 2HB SER 18 -12.088 10.928 -1.975 144 HG SER 18 HG SER 18 -11.031 8.917 -3.599 145 H GLY 19 H GLY 19 -13.420 11.983 -5.753 146 1HA GLY 19 1HA GLY 19 -14.244 14.456 -4.411 147 2HA GLY 19 2HA GLY 19 -13.918 14.179 -6.131 148 H ARG 20 H ARG 20 -15.541 11.936 -6.624 149 HA ARG 20 HA ARG 20 -17.967 13.248 -7.237 150 1HB ARG 20 1HB ARG 20 -17.469 10.243 -7.142 151 2HB ARG 20 2HB ARG 20 -18.794 11.084 -7.952 152 1HG ARG 20 1HG ARG 20 -16.610 12.404 -9.014 153 2HG ARG 20 2HG ARG 20 -15.925 10.817 -8.706 154 1HD ARG 20 1HD ARG 20 -18.525 11.163 -10.236 155 2HD ARG 20 2HD ARG 20 -16.959 11.057 -11.019 156 HE ARG 20 HE ARG 20 -18.462 8.901 -9.722 157 1HH1 ARG 20 2HH2 ARG 20 -15.257 9.946 -10.782 158 2HH1 ARG 20 1HH2 ARG 20 -14.605 8.330 -10.863 159 1HH2 ARG 20 1HH1 ARG 20 -17.557 6.771 -9.690 160 2HH2 ARG 20 2HH1 ARG 20 -15.900 6.541 -10.157 161 H GLU 21 H GLU 21 -17.412 10.693 -4.737 162 HA GLU 21 HA GLU 21 -19.319 12.161 -3.035 163 1HB GLU 21 1HB GLU 21 -19.777 9.204 -3.570 164 2HB GLU 21 2HB GLU 21 -20.589 10.204 -2.362 165 1HG GLU 21 1HG GLU 21 -21.484 11.636 -4.224 166 2HG GLU 21 2HG GLU 21 -20.784 10.490 -5.386 167 H GLY 22 H GLY 22 -17.729 12.735 -1.615 168 1HA GLY 22 1HA GLY 22 -16.754 11.085 0.391 169 2HA GLY 22 2HA GLY 22 -15.634 10.937 -0.982 170 H ASP 23 H ASP 23 -14.107 11.953 0.449 171 HA ASP 23 HA ASP 23 -14.491 14.915 0.885 172 1HB ASP 23 1HB ASP 23 -14.544 13.529 2.932 173 2HB ASP 23 2HB ASP 23 -12.967 12.846 2.512 174 H LYS 24 H LYS 24 -13.270 13.358 -1.477 175 HA LYS 24 HA LYS 24 -11.515 13.462 -2.870 176 1HB LYS 24 1HB LYS 24 -10.197 15.604 -1.187 177 2HB LYS 24 2HB LYS 24 -9.908 15.175 -2.876 178 1HG LYS 24 1HG LYS 24 -12.321 15.820 -3.363 179 2HG LYS 24 2HG LYS 24 -12.390 16.511 -1.733 180 1HD LYS 24 1HD LYS 24 -10.465 17.301 -3.975 181 2HD LYS 24 2HD LYS 24 -11.859 18.233 -3.402 182 1HE LYS 24 1HE LYS 24 -10.755 18.393 -1.133 183 2HE LYS 24 2HE LYS 24 -9.322 17.593 -1.812 184 1HZ LYS 24 1HZ LYS 24 -10.442 20.138 -2.733 185 2HZ LYS 24 2HZ LYS 24 -9.083 19.936 -1.823 186 3HZ LYS 24 3HZ LYS 24 -9.126 19.376 -3.372 187 H HIS 25 H HIS 25 -10.288 13.797 0.475 188 HA HIS 25 HA HIS 25 -8.120 11.900 0.164 189 1HB HIS 25 1HB HIS 25 -9.479 13.000 2.656 190 2HB HIS 25 2HB HIS 25 -7.903 12.201 2.580 191 HD1 HIS 25 HD1 HIS 25 -6.190 13.644 0.669 192 HD2 HIS 25 HD2 HIS 25 -9.301 15.585 2.746 193 HE1 HIS 25 HE1 HIS 25 -5.651 16.136 0.644 194 H LYS 26 H LYS 26 -11.566 11.452 0.551 195 HA LYS 26 HA LYS 26 -11.155 8.725 1.537 196 1HB LYS 26 1HB LYS 26 -13.239 10.498 2.828 197 2HB LYS 26 2HB LYS 26 -12.664 8.919 3.361 198 1HG LYS 26 1HG LYS 26 -10.433 10.054 3.911 199 2HG LYS 26 2HG LYS 26 -11.203 11.589 3.494 200 1HD LYS 26 1HD LYS 26 -12.898 11.257 5.254 201 2HD LYS 26 2HD LYS 26 -12.227 9.661 5.630 202 1HE LYS 26 1HE LYS 26 -11.474 11.348 7.252 203 2HE LYS 26 2HE LYS 26 -10.101 10.688 6.349 204 1HZ LYS 26 1HZ LYS 26 -10.093 12.633 5.002 205 2HZ LYS 26 2HZ LYS 26 -11.433 13.239 5.739 206 3HZ LYS 26 3HZ LYS 26 -10.027 13.077 6.585 207 H LEU 27 H LEU 27 -12.774 7.293 1.022 208 HA LEU 27 HA LEU 27 -14.615 8.056 -1.208 209 1HB LEU 27 1HB LEU 27 -13.609 5.401 -0.117 210 2HB LEU 27 2HB LEU 27 -14.656 5.545 -1.518 211 HG LEU 27 HG LEU 27 -11.901 6.813 -1.479 212 1HD1 LEU 27 1HD1 LEU 27 -12.731 3.968 -2.176 213 2HD1 LEU 27 2HD1 LEU 27 -11.130 4.660 -2.529 214 3HD1 LEU 27 3HD1 LEU 27 -11.649 4.441 -0.847 215 1HD2 LEU 27 1HD2 LEU 27 -12.026 6.545 -3.893 216 2HD2 LEU 27 2HD2 LEU 27 -13.526 5.612 -3.772 217 3HD2 LEU 27 3HD2 LEU 27 -13.524 7.349 -3.370 218 H LYS 28 H LYS 28 -16.888 7.945 -0.843 219 HA LYS 28 HA LYS 28 -17.999 6.956 1.674 220 1HB LYS 28 1HB LYS 28 -19.203 7.622 -1.035 221 2HB LYS 28 2HB LYS 28 -20.186 7.214 0.375 222 1HG LYS 28 1HG LYS 28 -18.148 9.400 0.613 223 2HG LYS 28 2HG LYS 28 -19.648 9.684 -0.294 224 1HD LYS 28 1HD LYS 28 -21.006 9.228 1.662 225 2HD LYS 28 2HD LYS 28 -19.608 8.635 2.574 226 1HE LYS 28 1HE LYS 28 -20.243 10.932 3.259 227 2HE LYS 28 2HE LYS 28 -18.600 10.859 2.612 228 1HZ LYS 28 1HZ LYS 28 -19.412 11.698 0.548 229 2HZ LYS 28 2HZ LYS 28 -20.962 11.739 1.111 230 3HZ LYS 28 3HZ LYS 28 -19.815 12.723 1.771 231 H LYS 29 H LYS 29 -19.797 5.211 1.543 232 HA LYS 29 HA LYS 29 -18.750 2.714 0.635 233 1HB LYS 29 1HB LYS 29 -20.940 1.790 1.200 234 2HB LYS 29 2HB LYS 29 -20.349 2.851 2.455 235 1HG LYS 29 1HG LYS 29 -21.863 4.637 1.863 236 2HG LYS 29 2HG LYS 29 -22.355 3.810 0.381 237 1HD LYS 29 1HD LYS 29 -24.060 3.567 2.129 238 2HD LYS 29 2HD LYS 29 -23.399 2.026 1.586 239 1HE LYS 29 1HE LYS 29 -23.728 2.052 4.017 240 2HE LYS 29 2HE LYS 29 -22.030 1.818 3.599 241 1HZ LYS 29 1HZ LYS 29 -23.253 4.355 4.436 242 2HZ LYS 29 2HZ LYS 29 -22.308 3.371 5.364 243 3HZ LYS 29 3HZ LYS 29 -21.662 4.134 4.054 244 H SER 30 H SER 30 -20.854 5.075 -1.055 245 HA SER 30 HA SER 30 -21.549 3.391 -3.241 246 1HB SER 30 1HB SER 30 -21.535 5.831 -4.325 247 2HB SER 30 2HB SER 30 -22.734 5.407 -3.087 248 HG SER 30 HG SER 30 -21.607 7.404 -2.686 249 H GLU 31 H GLU 31 -18.838 5.745 -2.704 250 HA GLU 31 HA GLU 31 -17.639 5.164 -5.223 251 1HB GLU 31 1HB GLU 31 -16.431 6.415 -2.752 252 2HB GLU 31 2HB GLU 31 -15.662 6.346 -4.349 253 1HG GLU 31 1HG GLU 31 -18.325 7.647 -3.715 254 2HG GLU 31 2HG GLU 31 -16.810 8.505 -3.993 255 H LEU 32 H LEU 32 -16.976 3.889 -1.976 256 HA LEU 32 HA LEU 32 -14.752 2.305 -2.610 257 1HB LEU 32 1HB LEU 32 -15.836 2.951 -0.347 258 2HB LEU 32 2HB LEU 32 -16.858 1.523 -0.559 259 HG LEU 32 HG LEU 32 -14.992 1.176 0.956 260 1HD1 LEU 32 1HD1 LEU 32 -13.921 -0.827 0.045 261 2HD1 LEU 32 2HD1 LEU 32 -15.659 -0.830 -0.233 262 3HD1 LEU 32 3HD1 LEU 32 -14.556 -0.444 -1.562 263 1HD2 LEU 32 1HD2 LEU 32 -13.428 2.829 -0.025 264 2HD2 LEU 32 2HD2 LEU 32 -12.678 1.276 0.368 265 3HD2 LEU 32 3HD2 LEU 32 -13.043 1.664 -1.318 266 H LYS 33 H LYS 33 -18.277 1.473 -2.691 267 HA LYS 33 HA LYS 33 -18.013 -1.199 -3.603 268 1HB LYS 33 1HB LYS 33 -20.114 -0.450 -2.855 269 2HB LYS 33 2HB LYS 33 -20.152 0.943 -3.917 270 1HG LYS 33 1HG LYS 33 -20.359 -0.679 -5.886 271 2HG LYS 33 2HG LYS 33 -20.340 -2.006 -4.718 272 1HD LYS 33 1HD LYS 33 -22.475 0.136 -5.052 273 2HD LYS 33 2HD LYS 33 -22.560 -1.576 -5.504 274 1HE LYS 33 1HE LYS 33 -22.127 -2.060 -2.973 275 2HE LYS 33 2HE LYS 33 -22.587 -0.353 -2.744 276 1HZ LYS 33 1HZ LYS 33 -24.218 -2.478 -3.955 277 2HZ LYS 33 2HZ LYS 33 -24.459 -1.754 -2.504 278 3HZ LYS 33 3HZ LYS 33 -24.652 -0.886 -3.892 279 H GLU 34 H GLU 34 -18.411 1.810 -5.611 280 HA GLU 34 HA GLU 34 -18.369 0.221 -8.063 281 1HB GLU 34 1HB GLU 34 -18.392 2.317 -9.259 282 2HB GLU 34 2HB GLU 34 -19.595 2.296 -7.962 283 1HG GLU 34 1HG GLU 34 -17.915 3.547 -6.543 284 2HG GLU 34 2HG GLU 34 -16.946 3.790 -7.988 285 H LEU 35 H LEU 35 -15.943 2.145 -6.321 286 HA LEU 35 HA LEU 35 -13.820 1.843 -8.131 287 1HB LEU 35 1HB LEU 35 -13.859 3.393 -6.210 288 2HB LEU 35 2HB LEU 35 -13.854 2.024 -5.099 289 HG LEU 35 HG LEU 35 -11.553 1.434 -5.886 290 1HD1 LEU 35 1HD1 LEU 35 -11.559 2.053 -8.213 291 2HD1 LEU 35 2HD1 LEU 35 -12.038 3.729 -7.837 292 3HD1 LEU 35 3HD1 LEU 35 -10.423 3.155 -7.413 293 1HD2 LEU 35 1HD2 LEU 35 -11.750 3.051 -4.088 294 2HD2 LEU 35 2HD2 LEU 35 -10.352 3.438 -5.109 295 3HD2 LEU 35 3HD2 LEU 35 -11.838 4.393 -5.262 296 H ILE 36 H ILE 36 -14.710 -0.259 -5.292 297 HA ILE 36 HA ILE 36 -12.641 -2.160 -5.837 298 HB ILE 36 HB ILE 36 -15.144 -2.172 -4.167 299 1HG1 ILE 36 1HG1 ILE 36 -13.644 -2.471 -2.350 300 2HG1 ILE 36 2HG1 ILE 36 -12.367 -3.076 -3.394 301 1HG2 ILE 36 1HG2 ILE 36 -13.471 -4.655 -4.723 302 2HG2 ILE 36 2HG2 ILE 36 -14.664 -4.481 -3.428 303 3HG2 ILE 36 3HG2 ILE 36 -15.172 -4.434 -5.121 304 1HD1 ILE 36 1HD1 ILE 36 -11.862 -0.883 -2.427 305 2HD1 ILE 36 2HD1 ILE 36 -11.791 -0.888 -4.190 306 3HD1 ILE 36 3HD1 ILE 36 -13.178 -0.155 -3.364 307 H ASN 37 H ASN 37 -16.132 -2.214 -6.853 308 HA ASN 37 HA ASN 37 -15.950 -4.633 -8.324 309 1HB ASN 37 1HB ASN 37 -17.590 -2.118 -8.829 310 2HB ASN 37 2HB ASN 37 -17.673 -3.547 -9.878 311 1HD2 ASN 37 2HD2 ASN 37 -18.487 -2.326 -6.667 312 2HD2 ASN 37 1HD2 ASN 37 -19.625 -3.627 -6.313 313 H ASN 38 H ASN 38 -15.066 -1.332 -9.306 314 HA ASN 38 HA ASN 38 -14.369 -1.900 -11.997 315 1HB ASN 38 1HB ASN 38 -14.900 0.329 -10.963 316 2HB ASN 38 2HB ASN 38 -13.306 0.308 -10.177 317 1HD2 ASN 38 2HD2 ASN 38 -15.091 0.787 -13.123 318 2HD2 ASN 38 1HD2 ASN 38 -13.723 1.335 -14.085 319 H GLU 39 H GLU 39 -12.392 -1.795 -9.026 320 HA GLU 39 HA GLU 39 -9.889 -2.173 -10.471 321 1HB GLU 39 1HB GLU 39 -10.150 -0.640 -8.580 322 2HB GLU 39 2HB GLU 39 -10.580 -1.981 -7.517 323 1HG GLU 39 1HG GLU 39 -8.301 -2.934 -7.782 324 2HG GLU 39 2HG GLU 39 -7.896 -1.714 -8.942 325 H LEU 40 H LEU 40 -11.933 -4.155 -8.338 326 HA LEU 40 HA LEU 40 -9.956 -6.388 -8.333 327 1HB LEU 40 1HB LEU 40 -12.056 -5.321 -6.470 328 2HB LEU 40 2HB LEU 40 -11.768 -7.036 -6.411 329 HG LEU 40 HG LEU 40 -9.494 -6.801 -5.807 330 1HD1 LEU 40 1HD1 LEU 40 -8.724 -4.916 -7.056 331 2HD1 LEU 40 2HD1 LEU 40 -9.868 -3.816 -6.219 332 3HD1 LEU 40 3HD1 LEU 40 -8.497 -4.526 -5.349 333 1HD2 LEU 40 1HD2 LEU 40 -9.793 -5.579 -3.651 334 2HD2 LEU 40 2HD2 LEU 40 -11.249 -4.824 -4.297 335 3HD2 LEU 40 3HD2 LEU 40 -11.207 -6.578 -4.035 336 H SER 41 H SER 41 -11.872 -5.821 -10.654 337 HA SER 41 HA SER 41 -14.062 -7.444 -10.645 338 1HB SER 41 1HB SER 41 -12.248 -7.144 -13.059 339 2HB SER 41 2HB SER 41 -14.022 -7.182 -12.997 340 HG SER 41 HG SER 41 -13.814 -5.160 -11.734 341 H HIS 42 H HIS 42 -10.718 -8.459 -11.395 342 HA HIS 42 HA HIS 42 -11.481 -11.252 -11.881 343 1HB HIS 42 1HB HIS 42 -9.688 -9.869 -13.061 344 2HB HIS 42 2HB HIS 42 -8.705 -10.047 -11.608 345 HD1 HIS 42 HD1 HIS 42 -9.274 -13.223 -11.182 346 HD2 HIS 42 HD2 HIS 42 -8.188 -11.212 -14.712 347 HE1 HIS 42 HE1 HIS 42 -8.108 -14.943 -12.680 348 H PHE 43 H PHE 43 -11.149 -9.471 -9.054 349 HA PHE 43 HA PHE 43 -9.540 -11.455 -7.534 350 1HB PHE 43 1HB PHE 43 -10.212 -8.592 -6.997 351 2HB PHE 43 2HB PHE 43 -9.343 -9.660 -5.912 352 HD1 PHE 43 HD1 PHE 43 -9.163 -8.510 -9.543 353 HD2 PHE 43 HD2 PHE 43 -7.011 -9.516 -5.948 354 HE1 PHE 43 HE1 PHE 43 -7.031 -8.183 -10.728 355 HE2 PHE 43 HE2 PHE 43 -4.919 -8.684 -7.028 356 HZ PHE 43 HZ PHE 43 -4.891 -8.279 -9.475 357 H LEU 44 H LEU 44 -12.480 -9.388 -7.210 358 HA LEU 44 HA LEU 44 -13.588 -11.290 -5.167 359 1HB LEU 44 1HB LEU 44 -13.423 -8.277 -5.268 360 2HB LEU 44 2HB LEU 44 -14.906 -8.998 -4.667 361 HG LEU 44 HG LEU 44 -13.720 -10.260 -2.967 362 1HD1 LEU 44 1HD1 LEU 44 -11.532 -10.643 -3.887 363 2HD1 LEU 44 2HD1 LEU 44 -11.225 -8.903 -4.063 364 3HD1 LEU 44 3HD1 LEU 44 -11.319 -9.642 -2.451 365 1HD2 LEU 44 1HD2 LEU 44 -14.609 -8.018 -2.474 366 2HD2 LEU 44 2HD2 LEU 44 -13.148 -8.351 -1.526 367 3HD2 LEU 44 3HD2 LEU 44 -13.069 -7.286 -2.946 368 H GLU 45 H GLU 45 -15.908 -11.415 -5.157 369 HA GLU 45 HA GLU 45 -17.136 -11.449 -7.793 370 1HB GLU 45 1HB GLU 45 -18.472 -11.657 -5.056 371 2HB GLU 45 2HB GLU 45 -19.117 -12.191 -6.611 372 1HG GLU 45 1HG GLU 45 -16.772 -13.405 -5.068 373 2HG GLU 45 2HG GLU 45 -18.355 -14.117 -5.359 374 H GLU 46 H GLU 46 -19.291 -10.195 -8.085 375 HA GLU 46 HA GLU 46 -18.687 -7.441 -7.937 376 1HB GLU 46 1HB GLU 46 -20.630 -7.050 -9.139 377 2HB GLU 46 2HB GLU 46 -20.049 -8.628 -9.692 378 1HG GLU 46 1HG GLU 46 -21.604 -9.591 -7.828 379 2HG GLU 46 2HG GLU 46 -22.263 -7.951 -7.775 380 H ILE 47 H ILE 47 -19.170 -5.936 -6.500 381 HA ILE 47 HA ILE 47 -20.147 -6.839 -3.860 382 HB ILE 47 HB ILE 47 -19.392 -3.967 -4.319 383 1HG1 ILE 47 1HG1 ILE 47 -17.559 -5.199 -5.432 384 2HG1 ILE 47 2HG1 ILE 47 -17.135 -4.234 -4.009 385 1HG2 ILE 47 1HG2 ILE 47 -20.271 -4.604 -2.138 386 2HG2 ILE 47 2HG2 ILE 47 -19.095 -5.920 -2.001 387 3HG2 ILE 47 3HG2 ILE 47 -18.542 -4.239 -1.999 388 1HD1 ILE 47 1HD1 ILE 47 -16.869 -6.165 -2.638 389 2HD1 ILE 47 2HD1 ILE 47 -17.606 -7.221 -3.875 390 3HD1 ILE 47 3HD1 ILE 47 -16.016 -6.489 -4.159 391 H LYS 48 H LYS 48 -22.238 -7.207 -5.272 392 HA LYS 48 HA LYS 48 -23.865 -4.942 -5.881 393 1HB LYS 48 1HB LYS 48 -25.718 -6.554 -6.097 394 2HB LYS 48 2HB LYS 48 -24.266 -6.985 -6.997 395 1HG LYS 48 1HG LYS 48 -23.670 -8.634 -5.165 396 2HG LYS 48 2HG LYS 48 -25.233 -8.258 -4.398 397 1HD LYS 48 1HD LYS 48 -26.406 -8.974 -6.460 398 2HD LYS 48 2HD LYS 48 -24.845 -9.349 -7.218 399 1HE LYS 48 1HE LYS 48 -24.366 -11.003 -5.417 400 2HE LYS 48 2HE LYS 48 -25.937 -10.639 -4.672 401 1HZ LYS 48 1HZ LYS 48 -26.987 -11.411 -6.675 402 2HZ LYS 48 2HZ LYS 48 -26.021 -12.585 -6.040 403 3HZ LYS 48 3HZ LYS 48 -25.527 -11.740 -7.367 404 H GLU 49 H GLU 49 -23.856 -7.072 -3.008 405 HA GLU 49 HA GLU 49 -26.133 -5.742 -1.836 406 1HB GLU 49 1HB GLU 49 -25.604 -8.142 -1.521 407 2HB GLU 49 2HB GLU 49 -24.166 -7.693 -0.590 408 1HG GLU 49 1HG GLU 49 -25.656 -6.520 1.055 409 2HG GLU 49 2HG GLU 49 -27.065 -6.999 0.100 410 H GLN 50 H GLN 50 -25.985 -3.728 -1.001 411 HA GLN 50 HA GLN 50 -23.685 -2.314 -0.540 412 1HB GLN 50 1HB GLN 50 -26.038 -1.460 -0.813 413 2HB GLN 50 2HB GLN 50 -26.254 -1.716 0.930 414 1HG GLN 50 1HG GLN 50 -24.321 -0.211 1.371 415 2HG GLN 50 2HG GLN 50 -24.066 0.010 -0.368 416 1HE2 GLN 50 1HE2 GLN 50 -26.084 0.860 -1.613 417 2HE2 GLN 50 2HE2 GLN 50 -26.981 2.113 -0.775 418 H GLU 51 H GLU 51 -25.264 -4.514 1.705 419 HA GLU 51 HA GLU 51 -24.101 -3.746 4.157 420 1HB GLU 51 1HB GLU 51 -24.596 -6.581 3.135 421 2HB GLU 51 2HB GLU 51 -24.353 -6.110 4.812 422 1HG GLU 51 1HG GLU 51 -26.429 -4.836 4.839 423 2HG GLU 51 2HG GLU 51 -26.698 -5.133 3.115 424 H VAL 52 H VAL 52 -22.723 -5.589 1.390 425 HA VAL 52 HA VAL 52 -20.461 -6.566 2.897 426 HB VAL 52 HB VAL 52 -20.873 -6.281 -0.109 427 1HG1 VAL 52 1HG1 VAL 52 -18.469 -6.556 0.522 428 2HG1 VAL 52 2HG1 VAL 52 -18.899 -8.046 1.386 429 3HG1 VAL 52 3HG1 VAL 52 -19.130 -7.914 -0.373 430 1HG2 VAL 52 1HG2 VAL 52 -21.594 -8.588 -0.070 431 2HG2 VAL 52 2HG2 VAL 52 -21.242 -8.719 1.671 432 3HG2 VAL 52 3HG2 VAL 52 -22.590 -7.728 1.098 433 H VAL 53 H VAL 53 -20.864 -3.932 0.455 434 HA VAL 53 HA VAL 53 -18.199 -3.006 0.676 435 HB VAL 53 HB VAL 53 -19.379 -2.201 -1.142 436 1HG1 VAL 53 1HG1 VAL 53 -21.382 -0.902 0.757 437 2HG1 VAL 53 2HG1 VAL 53 -21.283 -0.615 -0.968 438 3HG1 VAL 53 3HG1 VAL 53 -21.640 -2.253 -0.392 439 1HG2 VAL 53 1HG2 VAL 53 -17.758 -0.671 0.122 440 2HG2 VAL 53 2HG2 VAL 53 -18.853 0.070 -1.043 441 3HG2 VAL 53 3HG2 VAL 53 -19.191 0.211 0.688 442 H ASP 54 H ASP 54 -21.146 -2.101 2.524 443 HA ASP 54 HA ASP 54 -19.971 -0.080 4.076 444 1HB ASP 54 1HB ASP 54 -22.397 -0.528 4.048 445 2HB ASP 54 2HB ASP 54 -22.151 -2.074 4.869 446 H LYS 55 H LYS 55 -20.266 -3.640 4.763 447 HA LYS 55 HA LYS 55 -18.950 -3.535 7.251 448 1HB LYS 55 1HB LYS 55 -20.351 -5.381 6.504 449 2HB LYS 55 2HB LYS 55 -19.146 -5.882 5.311 450 1HG LYS 55 1HG LYS 55 -18.281 -5.587 8.204 451 2HG LYS 55 2HG LYS 55 -19.342 -6.937 7.781 452 1HD LYS 55 1HD LYS 55 -17.734 -7.727 6.092 453 2HD LYS 55 2HD LYS 55 -16.626 -6.403 6.483 454 1HE LYS 55 1HE LYS 55 -16.359 -7.186 8.767 455 2HE LYS 55 2HE LYS 55 -17.593 -8.441 8.534 456 1HZ LYS 55 1HZ LYS 55 -16.221 -9.513 6.989 457 2HZ LYS 55 2HZ LYS 55 -15.075 -8.315 7.040 458 3HZ LYS 55 3HZ LYS 55 -15.352 -9.263 8.361 459 H VAL 56 H VAL 56 -17.557 -4.286 3.967 460 HA VAL 56 HA VAL 56 -14.969 -4.756 5.116 461 HB VAL 56 HB VAL 56 -14.017 -4.772 2.953 462 1HG1 VAL 56 1HG1 VAL 56 -15.317 -6.562 1.930 463 2HG1 VAL 56 2HG1 VAL 56 -15.303 -6.747 3.693 464 3HG1 VAL 56 3HG1 VAL 56 -16.748 -6.130 2.872 465 1HG2 VAL 56 1HG2 VAL 56 -16.626 -3.660 1.941 466 2HG2 VAL 56 2HG2 VAL 56 -15.038 -2.878 1.840 467 3HG2 VAL 56 3HG2 VAL 56 -15.365 -4.342 0.899 468 H MET 57 H MET 57 -16.458 -1.742 3.746 469 HA MET 57 HA MET 57 -14.051 -0.242 4.076 470 1HB MET 57 1HB MET 57 -15.169 1.521 3.389 471 2HB MET 57 2HB MET 57 -16.376 0.349 2.885 472 1HG MET 57 1HG MET 57 -17.611 0.827 5.051 473 2HG MET 57 2HG MET 57 -16.403 2.074 5.402 474 1HE MET 57 1HE MET 57 -15.872 3.932 3.566 475 2HE MET 57 2HE MET 57 -16.278 3.071 2.062 476 3HE MET 57 3HE MET 57 -17.120 4.574 2.488 477 H GLU 58 H GLU 58 -16.849 -0.744 6.256 478 HA GLU 58 HA GLU 58 -16.054 0.817 8.427 479 1HB GLU 58 1HB GLU 58 -18.244 -0.220 8.252 480 2HB GLU 58 2HB GLU 58 -17.545 -1.842 8.375 481 1HG GLU 58 1HG GLU 58 -16.826 -1.409 10.680 482 2HG GLU 58 2HG GLU 58 -17.361 0.272 10.545 483 H THR 59 H THR 59 -15.252 -2.554 7.693 484 HA THR 59 HA THR 59 -13.697 -3.199 9.926 485 HB THR 59 HB THR 59 -13.535 -4.126 7.032 486 HG1 THR 59 HG1 THR 59 -15.456 -4.551 8.046 487 1HG2 THR 59 1HG2 THR 59 -12.448 -6.167 7.887 488 2HG2 THR 59 2HG2 THR 59 -11.405 -4.749 8.000 489 3HG2 THR 59 3HG2 THR 59 -12.215 -5.373 9.462 490 H LEU 60 H LEU 60 -12.747 -1.151 7.142 491 HA LEU 60 HA LEU 60 -9.991 -0.930 8.320 492 1HB LEU 60 1HB LEU 60 -10.931 -0.262 5.518 493 2HB LEU 60 2HB LEU 60 -9.328 0.022 6.175 494 HG LEU 60 HG LEU 60 -9.007 -1.809 4.882 495 1HD1 LEU 60 1HD1 LEU 60 -9.377 -3.037 7.640 496 2HD1 LEU 60 2HD1 LEU 60 -8.268 -3.555 6.365 497 3HD1 LEU 60 3HD1 LEU 60 -8.015 -1.995 7.163 498 1HD2 LEU 60 1HD2 LEU 60 -10.289 -3.861 4.842 499 2HD2 LEU 60 2HD2 LEU 60 -11.396 -3.250 6.073 500 3HD2 LEU 60 3HD2 LEU 60 -11.324 -2.472 4.475 501 H ASP 61 H ASP 61 -12.895 0.603 8.594 502 HA ASP 61 HA ASP 61 -12.124 3.273 7.874 503 1HB ASP 61 1HB ASP 61 -14.442 2.533 7.840 504 2HB ASP 61 2HB ASP 61 -14.411 2.281 9.591 505 H SER 62 H SER 62 -10.002 3.048 9.089 506 HA SER 62 HA SER 62 -9.667 3.399 11.857 507 1HB SER 62 1HB SER 62 -7.540 4.499 11.183 508 2HB SER 62 2HB SER 62 -7.841 3.030 10.224 509 HG SER 62 HG SER 62 -7.273 4.637 8.823 510 H ASP 63 H ASP 63 -10.623 5.650 9.335 511 HA ASP 63 HA ASP 63 -10.349 8.073 10.807 512 1HB ASP 63 1HB ASP 63 -12.274 7.494 8.509 513 2HB ASP 63 2HB ASP 63 -11.622 9.063 8.989 514 H GLY 64 H GLY 64 -12.726 5.544 11.083 515 1HA GLY 64 1HA GLY 64 -14.800 5.395 11.997 516 2HA GLY 64 2HA GLY 64 -14.239 6.631 13.134 517 H ASP 65 H ASP 65 -14.674 7.046 9.602 518 HA ASP 65 HA ASP 65 -16.671 9.208 10.156 519 1HB ASP 65 1HB ASP 65 -14.323 9.915 9.540 520 2HB ASP 65 2HB ASP 65 -14.524 9.068 7.996 521 H GLY 66 H GLY 66 -16.625 6.131 9.158 522 1HA GLY 66 1HA GLY 66 -17.949 4.896 7.780 523 2HA GLY 66 2HA GLY 66 -18.765 6.354 7.187 524 H GLU 67 H GLU 67 -17.238 7.835 5.929 525 HA GLU 67 HA GLU 67 -16.315 6.425 3.650 526 1HB GLU 67 1HB GLU 67 -15.436 8.599 2.845 527 2HB GLU 67 2HB GLU 67 -17.140 8.622 3.310 528 1HG GLU 67 1HG GLU 67 -16.532 9.706 5.468 529 2HG GLU 67 2HG GLU 67 -14.832 9.709 4.978 530 H CYS 68 H CYS 68 -14.296 5.845 2.962 531 HA CYS 68 HA CYS 68 -12.340 5.490 5.213 532 1HB CYS 68 1HB CYS 68 -13.115 3.803 2.824 533 2HB CYS 68 2HB CYS 68 -11.545 3.579 3.641 534 HG CYS 68 HG CYS 68 -14.446 3.779 5.190 535 H ASP 69 H ASP 69 -10.275 6.113 5.068 536 HA ASP 69 HA ASP 69 -9.752 8.161 3.143 537 1HB ASP 69 1HB ASP 69 -9.207 8.418 5.486 538 2HB ASP 69 2HB ASP 69 -8.056 7.063 5.418 539 H PHE 70 H PHE 70 -7.868 8.443 1.944 540 HA PHE 70 HA PHE 70 -7.081 6.632 0.072 541 1HB PHE 70 1HB PHE 70 -6.548 9.097 0.343 542 2HB PHE 70 2HB PHE 70 -5.222 8.654 1.389 543 HD1 PHE 70 HD1 PHE 70 -3.525 6.776 0.213 544 HD2 PHE 70 HD2 PHE 70 -6.062 9.584 -1.844 545 HE1 PHE 70 HE1 PHE 70 -2.556 6.087 -1.944 546 HE2 PHE 70 HE2 PHE 70 -5.113 8.884 -3.992 547 HZ PHE 70 HZ PHE 70 -3.443 7.013 -4.074 548 H GLN 71 H GLN 71 -5.438 7.056 3.278 549 HA GLN 71 HA GLN 71 -3.472 5.075 2.750 550 1HB GLN 71 1HB GLN 71 -2.909 5.138 5.014 551 2HB GLN 71 2HB GLN 71 -3.390 6.783 4.583 552 1HG GLN 71 1HG GLN 71 -5.645 6.344 5.631 553 2HG GLN 71 2HG GLN 71 -5.068 4.743 6.117 554 1HE2 GLN 71 2HE2 GLN 71 -2.715 4.900 7.190 555 2HE2 GLN 71 1HE2 GLN 71 -2.681 6.073 8.512 556 H GLU 72 H GLU 72 -6.810 4.760 3.964 557 HA GLU 72 HA GLU 72 -6.483 1.970 4.771 558 1HB GLU 72 1HB GLU 72 -8.994 3.656 4.371 559 2HB GLU 72 2HB GLU 72 -8.918 2.046 5.088 560 1HG GLU 72 1HG GLU 72 -7.653 4.583 6.229 561 2HG GLU 72 2HG GLU 72 -9.027 3.705 6.860 562 H PHE 73 H PHE 73 -7.717 3.740 1.963 563 HA PHE 73 HA PHE 73 -8.483 1.489 0.379 564 1HB PHE 73 1HB PHE 73 -9.109 3.414 -0.605 565 2HB PHE 73 2HB PHE 73 -7.698 4.310 -0.102 566 HD1 PHE 73 HD1 PHE 73 -8.898 1.759 -2.606 567 HD2 PHE 73 HD2 PHE 73 -5.934 4.754 -1.654 568 HE1 PHE 73 HE1 PHE 73 -8.214 1.874 -5.009 569 HE2 PHE 73 HE2 PHE 73 -5.308 4.883 -4.043 570 HZ PHE 73 HZ PHE 73 -6.506 3.503 -5.726 571 H MET 74 H MET 74 -5.244 3.124 0.596 572 HA MET 74 HA MET 74 -3.918 1.180 -0.974 573 1HB MET 74 1HB MET 74 -2.828 2.902 1.285 574 2HB MET 74 2HB MET 74 -1.833 1.929 0.199 575 1HG MET 74 1HG MET 74 -3.661 4.210 -0.608 576 2HG MET 74 2HG MET 74 -1.903 4.261 -0.525 577 1HE MET 74 1HE MET 74 -0.921 2.002 -3.607 578 2HE MET 74 2HE MET 74 -0.303 3.018 -2.292 579 3HE MET 74 3HE MET 74 -1.096 1.464 -1.926 580 H ALA 75 H ALA 75 -4.381 1.204 2.549 581 HA ALA 75 HA ALA 75 -2.938 -1.169 3.108 582 1HB ALA 75 1HB ALA 75 -3.722 0.435 4.830 583 2HB ALA 75 2HB ALA 75 -5.394 -0.114 4.568 584 3HB ALA 75 3HB ALA 75 -4.182 -1.238 5.207 585 H PHE 76 H PHE 76 -6.333 -0.734 2.100 586 HA PHE 76 HA PHE 76 -7.094 -3.511 2.415 587 1HB PHE 76 1HB PHE 76 -8.792 -1.816 2.399 588 2HB PHE 76 2HB PHE 76 -8.219 -1.162 0.877 589 HD1 PHE 76 HD1 PHE 76 -8.666 -2.147 -1.258 590 HD2 PHE 76 HD2 PHE 76 -10.284 -3.845 2.377 591 HE1 PHE 76 HE1 PHE 76 -10.280 -3.418 -2.583 592 HE2 PHE 76 HE2 PHE 76 -11.941 -5.098 1.026 593 HZ PHE 76 HZ PHE 76 -11.981 -4.846 -1.461 594 H VAL 77 H VAL 77 -6.156 -1.489 -0.389 595 HA VAL 77 HA VAL 77 -6.102 -3.541 -2.325 596 HB VAL 77 HB VAL 77 -4.562 -0.940 -2.080 597 1HG1 VAL 77 1HG1 VAL 77 -3.348 -2.438 -3.672 598 2HG1 VAL 77 2HG1 VAL 77 -4.875 -2.794 -4.498 599 3HG1 VAL 77 3HG1 VAL 77 -4.185 -1.158 -4.553 600 1HG2 VAL 77 1HG2 VAL 77 -6.204 -0.126 -3.724 601 2HG2 VAL 77 2HG2 VAL 77 -6.973 -1.724 -3.795 602 3HG2 VAL 77 3HG2 VAL 77 -7.069 -0.755 -2.320 603 H ALA 78 H ALA 78 -3.628 -2.564 0.090 604 HA ALA 78 HA ALA 78 -1.498 -4.057 -0.889 605 1HB ALA 78 1HB ALA 78 -1.412 -2.459 1.068 606 2HB ALA 78 2HB ALA 78 -2.186 -3.703 2.065 607 3HB ALA 78 3HB ALA 78 -0.593 -4.003 1.368 608 H MET 79 H MET 79 -3.956 -5.172 1.515 609 HA MET 79 HA MET 79 -2.807 -7.818 1.594 610 1HB MET 79 1HB MET 79 -4.988 -8.513 2.629 611 2HB MET 79 2HB MET 79 -3.997 -7.332 3.500 612 1HG MET 79 1HG MET 79 -5.484 -5.540 2.865 613 2HG MET 79 2HG MET 79 -6.454 -6.637 1.843 614 1HE MET 79 1HE MET 79 -8.428 -5.426 3.218 615 2HE MET 79 2HE MET 79 -8.654 -5.628 4.978 616 3HE MET 79 3HE MET 79 -7.299 -4.645 4.362 617 H ILE 80 H ILE 80 -5.439 -6.388 -0.334 618 HA ILE 80 HA ILE 80 -6.322 -8.788 -1.593 619 HB ILE 80 HB ILE 80 -6.131 -5.931 -2.599 620 1HG1 ILE 80 1HG1 ILE 80 -7.539 -6.434 -0.499 621 2HG1 ILE 80 2HG1 ILE 80 -8.287 -5.548 -1.826 622 1HG2 ILE 80 1HG2 ILE 80 -7.655 -8.265 -3.806 623 2HG2 ILE 80 2HG2 ILE 80 -7.849 -6.553 -4.246 624 3HG2 ILE 80 3HG2 ILE 80 -6.320 -7.355 -4.542 625 1HD1 ILE 80 1HD1 ILE 80 -8.631 -8.519 -1.265 626 2HD1 ILE 80 2HD1 ILE 80 -9.756 -7.223 -0.794 627 3HD1 ILE 80 3HD1 ILE 80 -9.493 -7.589 -2.506 628 H THR 81 H THR 81 -3.764 -6.456 -2.579 629 HA THR 81 HA THR 81 -2.977 -7.971 -4.859 630 HB THR 81 HB THR 81 -1.217 -6.017 -3.335 631 HG1 THR 81 HG1 THR 81 -3.189 -5.026 -3.812 632 1HG2 THR 81 1HG2 THR 81 -0.329 -5.605 -5.632 633 2HG2 THR 81 2HG2 THR 81 -0.123 -7.316 -5.182 634 3HG2 THR 81 3HG2 THR 81 -1.423 -6.830 -6.281 635 H THR 82 H THR 82 -1.915 -8.057 -1.429 636 HA THR 82 HA THR 82 0.228 -9.889 -1.792 637 HB THR 82 HB THR 82 -1.616 -9.776 0.626 638 HG1 THR 82 HG1 THR 82 -0.723 -7.712 0.072 639 1HG2 THR 82 1HG2 THR 82 -0.010 -11.697 0.546 640 2HG2 THR 82 2HG2 THR 82 1.320 -10.547 0.322 641 3HG2 THR 82 3HG2 THR 82 0.376 -10.545 1.829 642 H ALA 83 H ALA 83 -3.282 -10.529 -1.123 643 HA ALA 83 HA ALA 83 -3.132 -13.355 -1.140 644 1HB ALA 83 1HB ALA 83 -5.378 -11.514 -2.107 645 2HB ALA 83 2HB ALA 83 -5.554 -13.229 -1.728 646 3HB ALA 83 3HB ALA 83 -5.130 -12.070 -0.445 647 H CYS 84 H CYS 84 -3.728 -11.062 -3.832 648 HA CYS 84 HA CYS 84 -3.947 -13.061 -5.852 649 1HB CYS 84 1HB CYS 84 -4.777 -10.781 -6.065 650 2HB CYS 84 2HB CYS 84 -3.101 -10.171 -6.136 651 HG CYS 84 HG CYS 84 -2.511 -11.955 -8.179 652 H HIS 85 H HIS 85 -1.119 -11.330 -4.537 653 HA HIS 85 HA HIS 85 0.815 -12.214 -6.450 654 1HB HIS 85 1HB HIS 85 1.268 -10.343 -4.994 655 2HB HIS 85 2HB HIS 85 0.977 -11.307 -3.558 656 HD1 HIS 85 HD1 HIS 85 3.408 -12.408 -6.373 657 HD2 HIS 85 HD2 HIS 85 3.227 -11.077 -2.386 658 HE1 HIS 85 HE1 HIS 85 5.787 -12.495 -5.463 659 H GLU 86 H GLU 86 -0.078 -13.471 -3.193 660 HA GLU 86 HA GLU 86 1.552 -15.747 -3.189 661 1HB GLU 86 1HB GLU 86 -1.236 -15.311 -2.016 662 2HB GLU 86 2HB GLU 86 -0.255 -16.747 -1.705 663 1HG GLU 86 1HG GLU 86 1.549 -15.336 -0.750 664 2HG GLU 86 2HG GLU 86 0.594 -13.887 -1.050 665 H PHE 87 H PHE 87 -1.780 -15.407 -4.447 666 HA PHE 87 HA PHE 87 -2.098 -17.987 -5.553 667 1HB PHE 87 1HB PHE 87 -4.038 -16.786 -5.619 668 2HB PHE 87 2HB PHE 87 -3.250 -15.280 -6.021 669 HD1 PHE 87 HD1 PHE 87 -3.703 -14.360 -8.126 670 HD2 PHE 87 HD2 PHE 87 -3.797 -18.643 -7.660 671 HE1 PHE 87 HE1 PHE 87 -4.475 -14.596 -10.459 672 HE2 PHE 87 HE2 PHE 87 -4.531 -18.880 -10.008 673 HZ PHE 87 HZ PHE 87 -4.884 -16.855 -11.415 674 H PHE 88 H PHE 88 -1.097 -15.054 -7.349 675 HA PHE 88 HA PHE 88 -0.691 -16.395 -9.753 676 1HB PHE 88 1HB PHE 88 -1.042 -13.991 -9.421 677 2HB PHE 88 2HB PHE 88 0.601 -13.826 -8.766 678 HD1 PHE 88 HD1 PHE 88 -1.283 -14.963 -11.830 679 HD2 PHE 88 HD2 PHE 88 2.383 -13.312 -10.267 680 HE1 PHE 88 HE1 PHE 88 -0.426 -14.660 -14.136 681 HE2 PHE 88 HE2 PHE 88 3.250 -13.056 -12.568 682 HZ PHE 88 HZ PHE 88 1.844 -13.711 -14.511 683 H GLU 89 H GLU 89 1.696 -15.767 -7.161 684 HA GLU 89 HA GLU 89 3.902 -16.870 -8.732 685 1HB GLU 89 1HB GLU 89 3.523 -15.817 -5.945 686 2HB GLU 89 2HB GLU 89 4.836 -16.960 -6.197 687 1HG GLU 89 1HG GLU 89 5.499 -14.551 -6.510 688 2HG GLU 89 2HG GLU 89 5.893 -15.632 -7.845 689 H HIS 90 H HIS 90 1.280 -18.413 -7.118 690 HA HIS 90 HA HIS 90 2.742 -21.004 -7.457 691 1HB HIS 90 1HB HIS 90 0.727 -20.304 -5.293 692 2HB HIS 90 2HB HIS 90 1.511 -21.877 -5.535 693 HD1 HIS 90 HD1 HIS 90 2.189 -18.331 -4.290 694 HD2 HIS 90 HD2 HIS 90 4.175 -22.002 -4.826 695 HE1 HIS 90 HE1 HIS 90 4.498 -18.097 -3.181 696 H GLU 91 H GLU 91 1.815 -20.359 -9.645 697 HA GLU 91 HA GLU 91 -1.074 -20.561 -9.932 698 1HB GLU 91 1HB GLU 91 -0.402 -20.520 -12.408 699 2HB GLU 91 2HB GLU 91 -0.185 -19.072 -11.422 700 1HG GLU 91 1HG GLU 91 1.682 -19.498 -12.998 701 2HG GLU 91 2HG GLU 91 2.200 -19.359 -11.327 702 1H SER 1 1H SER 1 -8.745 -3.236 -15.194 703 2H SER 1 2H SER 1 -10.223 -2.857 -15.827 704 3H SER 1 3H SER 1 -8.845 -2.565 -16.689 705 HA SER 1 HA SER 1 -9.645 -0.532 -15.840 706 1HB SER 1 1HB SER 1 -10.930 -1.147 -13.980 707 2HB SER 1 2HB SER 1 -9.606 -2.051 -13.215 708 HG SER 1 HG SER 1 -10.267 0.327 -12.635 709 H GLU 2 H GLU 2 -8.266 1.095 -15.253 710 HA GLU 2 HA GLU 2 -5.464 0.855 -15.554 711 1HB GLU 2 1HB GLU 2 -6.803 2.990 -13.838 712 2HB GLU 2 2HB GLU 2 -5.320 3.083 -14.785 713 1HG GLU 2 1HG GLU 2 -6.733 4.264 -16.147 714 2HG GLU 2 2HG GLU 2 -6.971 2.660 -16.845 715 H LEU 3 H LEU 3 -7.596 0.655 -12.689 716 HA LEU 3 HA LEU 3 -5.335 0.620 -10.803 717 1HB LEU 3 1HB LEU 3 -8.267 0.061 -10.322 718 2HB LEU 3 2HB LEU 3 -6.948 0.281 -9.137 719 HG LEU 3 HG LEU 3 -8.268 2.345 -10.889 720 1HD1 LEU 3 1HD1 LEU 3 -8.447 3.443 -8.650 721 2HD1 LEU 3 2HD1 LEU 3 -9.121 1.797 -8.643 722 3HD1 LEU 3 3HD1 LEU 3 -7.539 2.121 -7.920 723 1HD2 LEU 3 1HD2 LEU 3 -5.931 2.821 -11.305 724 2HD2 LEU 3 2HD2 LEU 3 -6.477 3.938 -10.070 725 3HD2 LEU 3 3HD2 LEU 3 -5.510 2.532 -9.606 726 H GLU 4 H GLU 4 -7.505 -1.787 -12.313 727 HA GLU 4 HA GLU 4 -6.487 -3.991 -10.786 728 1HB GLU 4 1HB GLU 4 -8.560 -3.919 -12.284 729 2HB GLU 4 2HB GLU 4 -7.470 -4.173 -13.663 730 1HG GLU 4 1HG GLU 4 -6.759 -6.321 -12.719 731 2HG GLU 4 2HG GLU 4 -7.579 -5.958 -11.189 732 H LYS 5 H LYS 5 -5.474 -2.360 -13.747 733 HA LYS 5 HA LYS 5 -3.326 -4.063 -14.482 734 1HB LYS 5 1HB LYS 5 -4.282 -2.530 -16.063 735 2HB LYS 5 2HB LYS 5 -3.828 -1.137 -15.084 736 1HG LYS 5 1HG LYS 5 -2.342 -1.435 -17.000 737 2HG LYS 5 2HG LYS 5 -1.455 -1.539 -15.476 738 1HD LYS 5 1HD LYS 5 -1.366 -3.995 -15.645 739 2HD LYS 5 2HD LYS 5 -2.401 -3.957 -17.091 740 1HE LYS 5 1HE LYS 5 -0.639 -2.699 -18.307 741 2HE LYS 5 2HE LYS 5 0.369 -2.684 -16.845 742 1HZ LYS 5 1HZ LYS 5 0.448 -5.060 -16.940 743 2HZ LYS 5 2HZ LYS 5 -0.496 -5.086 -18.291 744 3HZ LYS 5 3HZ LYS 5 1.005 -4.410 -18.347 745 H ALA 6 H ALA 6 -3.410 -0.977 -12.631 746 HA ALA 6 HA ALA 6 -0.757 -0.780 -11.832 747 1HB ALA 6 1HB ALA 6 -3.284 -0.181 -10.228 748 2HB ALA 6 2HB ALA 6 -1.705 0.496 -9.887 749 3HB ALA 6 3HB ALA 6 -2.536 0.895 -11.407 750 H VAL 7 H VAL 7 -3.397 -2.464 -10.110 751 HA VAL 7 HA VAL 7 -1.947 -3.566 -7.987 752 HB VAL 7 HB VAL 7 -4.490 -4.278 -9.454 753 1HG1 VAL 7 1HG1 VAL 7 -3.700 -6.450 -8.753 754 2HG1 VAL 7 2HG1 VAL 7 -3.402 -5.845 -7.103 755 3HG1 VAL 7 3HG1 VAL 7 -5.056 -5.916 -7.753 756 1HG2 VAL 7 1HG2 VAL 7 -5.516 -3.553 -7.361 757 2HG2 VAL 7 2HG2 VAL 7 -3.921 -3.412 -6.595 758 3HG2 VAL 7 3HG2 VAL 7 -4.380 -2.304 -7.898 759 H VAL 8 H VAL 8 -2.677 -5.229 -11.172 760 HA VAL 8 HA VAL 8 -0.969 -7.410 -10.383 761 HB VAL 8 HB VAL 8 -1.105 -8.267 -12.599 762 1HG1 VAL 8 1HG1 VAL 8 -3.524 -8.604 -12.700 763 2HG1 VAL 8 2HG1 VAL 8 -2.958 -8.647 -11.023 764 3HG1 VAL 8 3HG1 VAL 8 -3.800 -7.212 -11.642 765 1HG2 VAL 8 1HG2 VAL 8 -2.576 -5.744 -13.368 766 2HG2 VAL 8 2HG2 VAL 8 -0.962 -6.202 -13.946 767 3HG2 VAL 8 3HG2 VAL 8 -2.375 -7.177 -14.386 768 H ALA 9 H ALA 9 -0.224 -4.338 -12.037 769 HA ALA 9 HA ALA 9 2.353 -5.056 -12.970 770 1HB ALA 9 1HB ALA 9 1.453 -2.337 -11.950 771 2HB ALA 9 2HB ALA 9 2.894 -2.692 -12.910 772 3HB ALA 9 3HB ALA 9 1.279 -2.947 -13.614 773 H LEU 10 H LEU 10 1.284 -3.829 -9.760 774 HA LEU 10 HA LEU 10 3.852 -3.721 -8.548 775 1HB LEU 10 1HB LEU 10 1.049 -4.094 -7.510 776 2HB LEU 10 2HB LEU 10 2.392 -4.528 -6.455 777 HG LEU 10 HG LEU 10 3.386 -2.287 -6.722 778 1HD1 LEU 10 1HD1 LEU 10 2.084 -0.441 -7.651 779 2HD1 LEU 10 2HD1 LEU 10 2.332 -1.642 -8.927 780 3HD1 LEU 10 3HD1 LEU 10 0.765 -1.538 -8.088 781 1HD2 LEU 10 1HD2 LEU 10 0.503 -2.383 -5.752 782 2HD2 LEU 10 2HD2 LEU 10 1.949 -2.838 -4.822 783 3HD2 LEU 10 3HD2 LEU 10 1.705 -1.150 -5.307 784 H ILE 11 H ILE 11 1.599 -6.512 -8.744 785 HA ILE 11 HA ILE 11 3.320 -8.410 -7.497 786 HB ILE 11 HB ILE 11 1.300 -8.929 -9.723 787 1HG1 ILE 11 1HG1 ILE 11 0.930 -8.893 -6.699 788 2HG1 ILE 11 2HG1 ILE 11 0.285 -7.704 -7.830 789 1HG2 ILE 11 1HG2 ILE 11 1.229 -11.214 -8.808 790 2HG2 ILE 11 2HG2 ILE 11 2.861 -10.824 -9.313 791 3HG2 ILE 11 3HG2 ILE 11 2.446 -10.770 -7.590 792 1HD1 ILE 11 1HD1 ILE 11 -0.558 -10.603 -7.628 793 2HD1 ILE 11 2HD1 ILE 11 -1.496 -9.136 -7.318 794 3HD1 ILE 11 3HD1 ILE 11 -1.008 -9.529 -8.974 795 H ASP 12 H ASP 12 2.921 -7.550 -10.939 796 HA ASP 12 HA ASP 12 4.611 -9.405 -12.093 797 1HB ASP 12 1HB ASP 12 3.090 -7.964 -13.361 798 2HB ASP 12 2HB ASP 12 4.116 -6.559 -13.025 799 H VAL 13 H VAL 13 5.402 -6.054 -11.093 800 HA VAL 13 HA VAL 13 8.223 -6.232 -11.589 801 HB VAL 13 HB VAL 13 6.456 -4.440 -9.876 802 1HG1 VAL 13 1HG1 VAL 13 8.443 -2.938 -9.656 803 2HG1 VAL 13 2HG1 VAL 13 8.669 -4.446 -8.768 804 3HG1 VAL 13 3HG1 VAL 13 9.473 -4.212 -10.336 805 1HG2 VAL 13 1HG2 VAL 13 8.039 -3.972 -12.431 806 2HG2 VAL 13 2HG2 VAL 13 6.282 -4.223 -12.331 807 3HG2 VAL 13 3HG2 VAL 13 7.015 -2.793 -11.583 808 H PHE 14 H PHE 14 6.329 -6.512 -8.519 809 HA PHE 14 HA PHE 14 8.538 -6.797 -6.878 810 1HB PHE 14 1HB PHE 14 6.269 -6.408 -6.047 811 2HB PHE 14 2HB PHE 14 5.797 -8.047 -6.492 812 HD1 PHE 14 HD1 PHE 14 6.784 -10.028 -5.272 813 HD2 PHE 14 HD2 PHE 14 7.639 -5.969 -4.078 814 HE1 PHE 14 HE1 PHE 14 7.660 -10.847 -3.150 815 HE2 PHE 14 HE2 PHE 14 8.448 -6.810 -1.882 816 HZ PHE 14 HZ PHE 14 8.424 -9.234 -1.390 817 H HIS 15 H HIS 15 6.647 -9.545 -8.339 818 HA HIS 15 HA HIS 15 8.138 -11.495 -6.934 819 1HB HIS 15 1HB HIS 15 7.137 -13.136 -8.146 820 2HB HIS 15 2HB HIS 15 5.939 -11.844 -8.047 821 HD1 HIS 15 HD1 HIS 15 5.663 -10.408 -10.431 822 HD2 HIS 15 HD2 HIS 15 7.763 -14.052 -10.502 823 HE1 HIS 15 HE1 HIS 15 5.762 -11.178 -12.896 824 H GLN 16 H GLN 16 8.674 -10.092 -10.170 825 HA GLN 16 HA GLN 16 10.848 -11.685 -11.001 826 1HB GLN 16 1HB GLN 16 10.116 -8.785 -11.570 827 2HB GLN 16 2HB GLN 16 11.520 -9.576 -12.300 828 1HG GLN 16 1HG GLN 16 10.115 -11.298 -13.303 829 2HG GLN 16 2HG GLN 16 8.673 -10.602 -12.551 830 1HE2 GLN 16 1HE2 GLN 16 8.007 -8.440 -13.205 831 2HE2 GLN 16 2HE2 GLN 16 8.400 -7.855 -14.814 832 H TYR 17 H TYR 17 10.836 -8.748 -8.945 833 HA TYR 17 HA TYR 17 13.759 -8.708 -8.686 834 1HB TYR 17 1HB TYR 17 11.502 -7.173 -7.407 835 2HB TYR 17 2HB TYR 17 13.173 -7.027 -6.876 836 HD1 TYR 17 HD1 TYR 17 11.441 -7.057 -10.277 837 HD2 TYR 17 HD2 TYR 17 14.323 -5.177 -7.669 838 HE1 TYR 17 HE1 TYR 17 11.617 -5.194 -11.840 839 HE2 TYR 17 HE2 TYR 17 14.464 -3.279 -9.250 840 HH TYR 17 HH TYR 17 12.407 -3.036 -12.139 841 H SER 18 H SER 18 11.118 -9.469 -6.403 842 HA SER 18 HA SER 18 12.768 -10.163 -4.203 843 1HB SER 18 1HB SER 18 10.716 -11.226 -3.337 844 2HB SER 18 2HB SER 18 10.421 -9.615 -3.987 845 HG SER 18 HG SER 18 9.569 -10.504 -5.812 846 H GLY 19 H GLY 19 11.699 -12.175 -6.962 847 1HA GLY 19 1HA GLY 19 12.449 -14.693 -5.923 848 2HA GLY 19 2HA GLY 19 12.393 -14.225 -7.631 849 H ARG 20 H ARG 20 14.474 -11.992 -7.080 850 HA ARG 20 HA ARG 20 16.642 -13.720 -7.920 851 1HB ARG 20 1HB ARG 20 16.787 -10.732 -7.395 852 2HB ARG 20 2HB ARG 20 17.843 -11.742 -8.392 853 1HG ARG 20 1HG ARG 20 15.457 -12.313 -9.579 854 2HG ARG 20 2HG ARG 20 15.051 -10.758 -8.884 855 1HD ARG 20 1HD ARG 20 17.567 -11.004 -10.542 856 2HD ARG 20 2HD ARG 20 16.004 -10.851 -11.320 857 HE ARG 20 HE ARG 20 17.411 -8.807 -9.721 858 1HH1 ARG 20 1HH2 ARG 20 14.232 -9.735 -10.959 859 2HH1 ARG 20 2HH2 ARG 20 13.803 -8.119 -11.461 860 1HH2 ARG 20 1HH1 ARG 20 16.695 -6.638 -10.058 861 2HH2 ARG 20 2HH1 ARG 20 15.137 -6.344 -10.772 862 H GLU 21 H GLU 21 16.216 -11.472 -5.133 863 HA GLU 21 HA GLU 21 17.948 -13.205 -3.499 864 1HB GLU 21 1HB GLU 21 18.455 -10.267 -4.024 865 2HB GLU 21 2HB GLU 21 19.141 -11.110 -2.660 866 1HG GLU 21 1HG GLU 21 19.621 -11.823 -5.589 867 2HG GLU 21 2HG GLU 21 20.684 -10.875 -4.567 868 H GLY 22 H GLY 22 16.890 -13.631 -1.734 869 1HA GLY 22 1HA GLY 22 15.754 -12.758 0.326 870 2HA GLY 22 2HA GLY 22 14.672 -11.877 -0.775 871 H ASP 23 H ASP 23 12.934 -13.064 -1.659 872 HA ASP 23 HA ASP 23 13.256 -15.688 -2.603 873 1HB ASP 23 1HB ASP 23 11.739 -16.982 -1.202 874 2HB ASP 23 2HB ASP 23 13.063 -16.404 -0.208 875 H LYS 24 H LYS 24 10.917 -16.515 -3.255 876 HA LYS 24 HA LYS 24 9.809 -14.849 -5.104 877 1HB LYS 24 1HB LYS 24 8.472 -17.010 -3.432 878 2HB LYS 24 2HB LYS 24 7.715 -16.259 -4.845 879 1HG LYS 24 1HG LYS 24 9.381 -17.100 -6.346 880 2HG LYS 24 2HG LYS 24 10.438 -17.603 -5.029 881 1HD LYS 24 1HD LYS 24 9.337 -19.557 -5.971 882 2HD LYS 24 2HD LYS 24 8.852 -19.310 -4.293 883 1HE LYS 24 1HE LYS 24 6.937 -19.984 -5.639 884 2HE LYS 24 2HE LYS 24 6.688 -18.345 -5.042 885 1HZ LYS 24 1HZ LYS 24 7.319 -17.530 -7.191 886 2HZ LYS 24 2HZ LYS 24 7.648 -19.055 -7.731 887 3HZ LYS 24 3HZ LYS 24 6.102 -18.637 -7.350 888 H HIS 25 H HIS 25 9.063 -14.705 -1.639 889 HA HIS 25 HA HIS 25 6.868 -12.749 -2.160 890 1HB HIS 25 1HB HIS 25 6.562 -15.088 -1.019 891 2HB HIS 25 2HB HIS 25 7.236 -14.281 0.396 892 HD1 HIS 25 HD1 HIS 25 5.517 -12.696 1.670 893 HD2 HIS 25 HD2 HIS 25 4.200 -14.162 -2.045 894 HE1 HIS 25 HE1 HIS 25 3.043 -12.100 1.489 895 H LYS 26 H LYS 26 10.133 -12.580 -1.425 896 HA LYS 26 HA LYS 26 9.759 -10.221 0.284 897 1HB LYS 26 1HB LYS 26 11.743 -12.359 1.098 898 2HB LYS 26 2HB LYS 26 11.285 -10.885 1.964 899 1HG LYS 26 1HG LYS 26 8.945 -11.909 2.228 900 2HG LYS 26 2HG LYS 26 9.621 -13.392 1.556 901 1HD LYS 26 1HD LYS 26 11.333 -13.402 3.401 902 2HD LYS 26 2HD LYS 26 10.622 -11.913 4.041 903 1HE LYS 26 1HE LYS 26 9.797 -13.811 5.313 904 2HE LYS 26 2HE LYS 26 8.456 -13.098 4.403 905 1HZ LYS 26 1HZ LYS 26 8.705 -14.842 2.792 906 2HZ LYS 26 2HZ LYS 26 10.001 -15.468 3.591 907 3HZ LYS 26 3HZ LYS 26 8.508 -15.498 4.291 908 H LEU 27 H LEU 27 11.221 -8.613 -0.076 909 HA LEU 27 HA LEU 27 13.304 -8.976 -2.189 910 1HB LEU 27 1HB LEU 27 12.092 -6.560 -0.786 911 2HB LEU 27 2HB LEU 27 13.425 -6.436 -1.930 912 HG LEU 27 HG LEU 27 10.770 -7.646 -2.724 913 1HD1 LEU 27 1HD1 LEU 27 10.399 -5.344 -1.841 914 2HD1 LEU 27 2HD1 LEU 27 11.682 -4.735 -2.902 915 3HD1 LEU 27 3HD1 LEU 27 10.187 -5.390 -3.604 916 1HD2 LEU 27 1HD2 LEU 27 12.818 -7.954 -4.222 917 2HD2 LEU 27 2HD2 LEU 27 11.470 -7.079 -4.972 918 3HD2 LEU 27 3HD2 LEU 27 12.890 -6.194 -4.377 919 H LYS 28 H LYS 28 15.423 -9.352 -1.489 920 HA LYS 28 HA LYS 28 16.262 -8.500 1.194 921 1HB LYS 28 1HB LYS 28 17.044 -10.578 0.181 922 2HB LYS 28 2HB LYS 28 17.885 -9.661 -1.086 923 1HG LYS 28 1HG LYS 28 19.487 -8.837 0.409 924 2HG LYS 28 2HG LYS 28 18.448 -9.085 1.838 925 1HD LYS 28 1HD LYS 28 20.323 -10.659 1.800 926 2HD LYS 28 2HD LYS 28 18.742 -11.455 1.807 927 1HE LYS 28 1HE LYS 28 18.897 -11.934 -0.568 928 2HE LYS 28 2HE LYS 28 20.404 -10.988 -0.709 929 1HZ LYS 28 1HZ LYS 28 20.792 -13.320 -0.614 930 2HZ LYS 28 2HZ LYS 28 21.443 -12.589 0.713 931 3HZ LYS 28 3HZ LYS 28 20.041 -13.447 0.850 932 H LYS 29 H LYS 29 18.264 -7.086 1.379 933 HA LYS 29 HA LYS 29 17.559 -4.527 0.715 934 1HB LYS 29 1HB LYS 29 19.720 -3.833 1.593 935 2HB LYS 29 2HB LYS 29 19.056 -5.108 2.562 936 1HG LYS 29 1HG LYS 29 20.557 -6.763 1.410 937 2HG LYS 29 2HG LYS 29 21.270 -5.418 0.491 938 1HD LYS 29 1HD LYS 29 21.936 -4.315 2.606 939 2HD LYS 29 2HD LYS 29 21.223 -5.648 3.534 940 1HE LYS 29 1HE LYS 29 22.803 -7.244 2.462 941 2HE LYS 29 2HE LYS 29 23.519 -5.913 1.531 942 1HZ LYS 29 1HZ LYS 29 24.780 -6.428 3.479 943 2HZ LYS 29 2HZ LYS 29 24.167 -4.903 3.590 944 3HZ LYS 29 3HZ LYS 29 23.491 -6.131 4.459 945 H SER 30 H SER 30 19.745 -6.559 -1.270 946 HA SER 30 HA SER 30 20.639 -4.466 -2.987 947 1HB SER 30 1HB SER 30 20.974 -6.483 -4.551 948 2HB SER 30 2HB SER 30 21.779 -6.559 -2.974 949 HG SER 30 HG SER 30 19.688 -8.076 -3.952 950 H GLU 31 H GLU 31 17.769 -6.618 -2.976 951 HA GLU 31 HA GLU 31 16.904 -5.745 -5.633 952 1HB GLU 31 1HB GLU 31 15.242 -7.270 -3.589 953 2HB GLU 31 2HB GLU 31 15.053 -7.196 -5.352 954 1HG GLU 31 1HG GLU 31 17.211 -8.552 -3.742 955 2HG GLU 31 2HG GLU 31 16.058 -9.317 -4.838 956 H LEU 32 H LEU 32 15.950 -5.177 -2.249 957 HA LEU 32 HA LEU 32 13.787 -3.441 -2.740 958 1HB LEU 32 1HB LEU 32 14.336 -4.485 -0.599 959 2HB LEU 32 2HB LEU 32 15.786 -3.480 -0.435 960 HG LEU 32 HG LEU 32 13.732 -2.887 0.925 961 1HD1 LEU 32 1HD1 LEU 32 15.629 -1.349 0.658 962 2HD1 LEU 32 2HD1 LEU 32 14.851 -0.628 -0.765 963 3HD1 LEU 32 3HD1 LEU 32 14.075 -0.517 0.821 964 1HD2 LEU 32 1HD2 LEU 32 12.039 -3.165 -0.855 965 2HD2 LEU 32 2HD2 LEU 32 11.951 -1.593 -0.045 966 3HD2 LEU 32 3HD2 LEU 32 12.662 -1.708 -1.662 967 H LYS 33 H LYS 33 17.285 -2.682 -2.276 968 HA LYS 33 HA LYS 33 17.202 0.113 -2.726 969 1HB LYS 33 1HB LYS 33 19.179 -1.066 -1.983 970 2HB LYS 33 2HB LYS 33 19.223 -2.079 -3.396 971 1HG LYS 33 1HG LYS 33 19.629 0.068 -4.780 972 2HG LYS 33 2HG LYS 33 19.831 0.903 -3.223 973 1HD LYS 33 1HD LYS 33 21.659 -0.790 -2.698 974 2HD LYS 33 2HD LYS 33 21.444 -1.456 -4.320 975 1HE LYS 33 1HE LYS 33 22.294 1.405 -3.643 976 2HE LYS 33 2HE LYS 33 23.339 0.122 -4.274 977 1HZ LYS 33 1HZ LYS 33 22.677 1.557 -6.004 978 2HZ LYS 33 2HZ LYS 33 21.991 0.081 -6.250 979 3HZ LYS 33 3HZ LYS 33 21.076 1.333 -5.689 980 H GLU 34 H GLU 34 17.791 -2.535 -5.134 981 HA GLU 34 HA GLU 34 18.043 -0.783 -7.345 982 1HB GLU 34 1HB GLU 34 18.830 -3.105 -7.342 983 2HB GLU 34 2HB GLU 34 17.173 -3.716 -7.180 984 1HG GLU 34 1HG GLU 34 16.585 -2.909 -9.374 985 2HG GLU 34 2HG GLU 34 18.139 -2.073 -9.554 986 H LEU 35 H LEU 35 15.234 -2.616 -6.216 987 HA LEU 35 HA LEU 35 13.233 -1.802 -7.993 988 1HB LEU 35 1HB LEU 35 13.107 -3.554 -6.354 989 2HB LEU 35 2HB LEU 35 13.253 -2.416 -5.019 990 HG LEU 35 HG LEU 35 11.035 -3.287 -5.184 991 1HD1 LEU 35 1HD1 LEU 35 9.764 -1.318 -4.943 992 2HD1 LEU 35 2HD1 LEU 35 11.399 -0.884 -4.456 993 3HD1 LEU 35 3HD1 LEU 35 10.767 -0.392 -6.049 994 1HD2 LEU 35 1HD2 LEU 35 10.765 -2.033 -7.934 995 2HD2 LEU 35 2HD2 LEU 35 11.001 -3.765 -7.614 996 3HD2 LEU 35 3HD2 LEU 35 9.538 -2.956 -7.029 997 H ILE 36 H ILE 36 14.179 -0.167 -4.854 998 HA ILE 36 HA ILE 36 12.342 1.953 -5.335 999 HB ILE 36 HB ILE 36 14.780 1.854 -3.541 1000 1HG1 ILE 36 1HG1 ILE 36 11.760 1.675 -3.038 1001 2HG1 ILE 36 2HG1 ILE 36 12.879 0.322 -2.990 1002 1HG2 ILE 36 1HG2 ILE 36 13.864 3.888 -2.477 1003 2HG2 ILE 36 2HG2 ILE 36 14.258 4.228 -4.155 1004 3HG2 ILE 36 3HG2 ILE 36 12.569 3.961 -3.684 1005 1HD1 ILE 36 1HD1 ILE 36 12.497 0.927 -0.736 1006 2HD1 ILE 36 2HD1 ILE 36 14.122 1.540 -1.121 1007 3HD1 ILE 36 3HD1 ILE 36 12.735 2.646 -1.046 1008 H ASN 37 H ASN 37 15.907 1.903 -5.946 1009 HA ASN 37 HA ASN 37 16.019 4.574 -6.950 1010 1HB ASN 37 1HB ASN 37 17.722 2.172 -7.751 1011 2HB ASN 37 2HB ASN 37 18.027 3.845 -8.256 1012 1HD2 ASN 37 2HD2 ASN 37 17.966 1.663 -5.483 1013 2HD2 ASN 37 1HD2 ASN 37 19.056 2.623 -4.494 1014 H ASN 38 H ASN 38 15.486 1.484 -8.671 1015 HA ASN 38 HA ASN 38 15.482 2.669 -11.274 1016 1HB ASN 38 1HB ASN 38 16.014 0.273 -10.754 1017 2HB ASN 38 2HB ASN 38 14.305 0.013 -10.334 1018 1HD2 ASN 38 1HD2 ASN 38 14.225 -1.639 -12.014 1019 2HD2 ASN 38 2HD2 ASN 38 14.154 -1.140 -13.703 1020 H GLU 39 H GLU 39 12.788 1.416 -9.172 1021 HA GLU 39 HA GLU 39 10.882 2.330 -11.178 1022 1HB GLU 39 1HB GLU 39 10.507 0.961 -8.489 1023 2HB GLU 39 2HB GLU 39 9.193 1.447 -9.551 1024 1HG GLU 39 1HG GLU 39 11.427 -0.442 -10.410 1025 2HG GLU 39 2HG GLU 39 9.830 -0.949 -9.844 1026 H LEU 40 H LEU 40 11.801 3.418 -7.835 1027 HA LEU 40 HA LEU 40 9.823 5.638 -8.118 1028 1HB LEU 40 1HB LEU 40 11.528 4.759 -5.760 1029 2HB LEU 40 2HB LEU 40 10.634 6.271 -5.863 1030 HG LEU 40 HG LEU 40 8.519 5.074 -6.176 1031 1HD1 LEU 40 1HD1 LEU 40 8.382 2.727 -5.366 1032 2HD1 LEU 40 2HD1 LEU 40 9.340 2.806 -6.847 1033 3HD1 LEU 40 3HD1 LEU 40 10.149 2.652 -5.266 1034 1HD2 LEU 40 1HD2 LEU 40 8.406 4.457 -3.726 1035 2HD2 LEU 40 2HD2 LEU 40 10.166 4.662 -3.649 1036 3HD2 LEU 40 3HD2 LEU 40 9.130 6.045 -4.046 1037 H SER 41 H SER 41 11.743 5.658 -10.118 1038 HA SER 41 HA SER 41 14.185 6.963 -9.443 1039 1HB SER 41 1HB SER 41 13.834 7.502 -12.076 1040 2HB SER 41 2HB SER 41 14.344 5.920 -11.462 1041 HG SER 41 HG SER 41 12.512 5.072 -11.988 1042 H HIS 42 H HIS 42 10.947 8.134 -10.094 1043 HA HIS 42 HA HIS 42 11.874 10.977 -9.980 1044 1HB HIS 42 1HB HIS 42 9.151 9.889 -10.776 1045 2HB HIS 42 2HB HIS 42 9.746 11.542 -10.934 1046 HD1 HIS 42 HD1 HIS 42 9.969 8.125 -12.632 1047 HD2 HIS 42 HD2 HIS 42 11.710 11.956 -12.847 1048 HE1 HIS 42 HE1 HIS 42 11.322 8.198 -14.792 1049 H PHE 43 H PHE 43 9.611 8.608 -8.580 1050 HA PHE 43 HA PHE 43 8.426 10.401 -6.712 1051 1HB PHE 43 1HB PHE 43 8.387 7.444 -7.184 1052 2HB PHE 43 2HB PHE 43 7.973 7.993 -5.575 1053 HD1 PHE 43 HD1 PHE 43 7.176 9.071 -9.123 1054 HD2 PHE 43 HD2 PHE 43 5.741 8.399 -5.110 1055 HE1 PHE 43 HE1 PHE 43 4.882 9.704 -9.824 1056 HE2 PHE 43 HE2 PHE 43 3.467 9.024 -5.812 1057 HZ PHE 43 HZ PHE 43 3.032 9.721 -8.159 1058 H LEU 44 H LEU 44 11.446 8.533 -6.463 1059 HA LEU 44 HA LEU 44 11.898 9.929 -3.937 1060 1HB LEU 44 1HB LEU 44 11.489 7.149 -3.970 1061 2HB LEU 44 2HB LEU 44 13.234 7.279 -4.144 1062 HG LEU 44 HG LEU 44 12.784 9.125 -2.150 1063 1HD1 LEU 44 1HD1 LEU 44 10.763 6.896 -1.706 1064 2HD1 LEU 44 2HD1 LEU 44 11.091 8.262 -0.618 1065 3HD1 LEU 44 3HD1 LEU 44 10.331 8.543 -2.202 1066 1HD2 LEU 44 1HD2 LEU 44 14.436 7.367 -2.009 1067 2HD2 LEU 44 2HD2 LEU 44 13.454 7.380 -0.534 1068 3HD2 LEU 44 3HD2 LEU 44 13.168 6.136 -1.773 1069 H GLU 45 H GLU 45 14.321 9.779 -3.414 1070 HA GLU 45 HA GLU 45 15.811 10.683 -5.799 1071 1HB GLU 45 1HB GLU 45 16.750 10.618 -2.914 1072 2HB GLU 45 2HB GLU 45 17.358 11.613 -4.242 1073 1HG GLU 45 1HG GLU 45 14.721 11.903 -2.730 1074 2HG GLU 45 2HG GLU 45 16.078 13.025 -2.771 1075 H GLU 46 H GLU 46 18.125 9.910 -5.928 1076 HA GLU 46 HA GLU 46 18.455 7.103 -6.047 1077 1HB GLU 46 1HB GLU 46 19.865 8.611 -7.337 1078 2HB GLU 46 2HB GLU 46 20.450 9.406 -5.860 1079 1HG GLU 46 1HG GLU 46 21.585 7.365 -5.147 1080 2HG GLU 46 2HG GLU 46 20.954 6.482 -6.556 1081 H ILE 47 H ILE 47 19.086 5.676 -4.535 1082 HA ILE 47 HA ILE 47 19.212 6.557 -1.711 1083 HB ILE 47 HB ILE 47 19.380 3.677 -2.639 1084 1HG1 ILE 47 1HG1 ILE 47 17.393 4.671 -3.814 1085 2HG1 ILE 47 2HG1 ILE 47 17.027 3.393 -2.648 1086 1HG2 ILE 47 1HG2 ILE 47 18.315 5.085 -0.157 1087 2HG2 ILE 47 2HG2 ILE 47 18.197 3.344 -0.449 1088 3HG2 ILE 47 3HG2 ILE 47 19.791 4.121 -0.282 1089 1HD1 ILE 47 1HD1 ILE 47 16.850 6.335 -1.903 1090 2HD1 ILE 47 2HD1 ILE 47 15.527 5.429 -2.647 1091 3HD1 ILE 47 3HD1 ILE 47 16.150 4.912 -1.071 1092 H LYS 48 H LYS 48 21.118 4.497 -3.883 1093 HA LYS 48 HA LYS 48 23.241 3.926 -4.082 1094 1HB LYS 48 1HB LYS 48 23.503 6.322 -4.401 1095 2HB LYS 48 2HB LYS 48 23.841 6.545 -2.675 1096 1HG LYS 48 1HG LYS 48 25.896 5.257 -2.852 1097 2HG LYS 48 2HG LYS 48 25.477 4.713 -4.482 1098 1HD LYS 48 1HD LYS 48 27.179 6.459 -4.533 1099 2HD LYS 48 2HD LYS 48 25.703 6.973 -5.370 1100 1HE LYS 48 1HE LYS 48 25.040 8.349 -3.439 1101 2HE LYS 48 2HE LYS 48 26.427 7.749 -2.504 1102 1HZ LYS 48 1HZ LYS 48 26.833 9.889 -3.450 1103 2HZ LYS 48 2HZ LYS 48 26.557 9.328 -4.975 1104 3HZ LYS 48 3HZ LYS 48 27.856 8.782 -4.116 1105 H GLU 49 H GLU 49 23.183 5.297 -0.750 1106 HA GLU 49 HA GLU 49 25.340 3.556 0.062 1107 1HB GLU 49 1HB GLU 49 23.502 5.356 1.683 1108 2HB GLU 49 2HB GLU 49 24.979 4.598 2.293 1109 1HG GLU 49 1HG GLU 49 24.834 6.649 0.029 1110 2HG GLU 49 2HG GLU 49 25.352 6.952 1.689 1111 H GLN 50 H GLN 50 25.186 1.504 0.685 1112 HA GLN 50 HA GLN 50 22.886 -0.058 0.798 1113 1HB GLN 50 1HB GLN 50 25.619 -0.489 1.995 1114 2HB GLN 50 2HB GLN 50 24.327 -1.692 2.100 1115 1HG GLN 50 1HG GLN 50 25.837 -2.110 0.165 1116 2HG GLN 50 2HG GLN 50 24.148 -1.878 -0.310 1117 1HE2 GLN 50 1HE2 GLN 50 23.955 -0.599 -2.131 1118 2HE2 GLN 50 2HE2 GLN 50 24.820 0.920 -2.313 1119 H GLU 51 H GLU 51 24.494 1.652 3.440 1120 HA GLU 51 HA GLU 51 23.065 0.636 5.632 1121 1HB GLU 51 1HB GLU 51 23.876 3.566 5.389 1122 2HB GLU 51 2HB GLU 51 23.727 2.567 6.831 1123 1HG GLU 51 1HG GLU 51 26.011 2.588 6.601 1124 2HG GLU 51 2HG GLU 51 25.659 1.127 5.673 1125 H VAL 52 H VAL 52 22.146 3.169 3.272 1126 HA VAL 52 HA VAL 52 19.849 4.075 4.800 1127 HB VAL 52 HB VAL 52 20.628 4.468 1.879 1128 1HG1 VAL 52 1HG1 VAL 52 19.032 6.277 1.831 1129 2HG1 VAL 52 2HG1 VAL 52 18.176 4.803 2.255 1130 3HG1 VAL 52 3HG1 VAL 52 18.558 5.985 3.520 1131 1HG2 VAL 52 1HG2 VAL 52 22.212 5.433 3.659 1132 2HG2 VAL 52 2HG2 VAL 52 21.497 6.590 2.536 1133 3HG2 VAL 52 3HG2 VAL 52 20.842 6.427 4.184 1134 H VAL 53 H VAL 53 20.366 2.026 1.913 1135 HA VAL 53 HA VAL 53 17.660 1.389 1.472 1136 HB VAL 53 HB VAL 53 18.286 0.038 -0.118 1137 1HG1 VAL 53 1HG1 VAL 53 21.082 1.005 0.508 1138 2HG1 VAL 53 2HG1 VAL 53 20.573 0.325 -1.012 1139 3HG1 VAL 53 3HG1 VAL 53 19.883 1.851 -0.478 1140 1HG2 VAL 53 1HG2 VAL 53 18.739 -1.902 1.200 1141 2HG2 VAL 53 2HG2 VAL 53 19.972 -1.767 -0.054 1142 3HG2 VAL 53 3HG2 VAL 53 20.385 -1.330 1.593 1143 H ASP 54 H ASP 54 20.108 -0.254 3.475 1144 HA ASP 54 HA ASP 54 18.501 -2.271 4.545 1145 1HB ASP 54 1HB ASP 54 20.938 -2.215 4.770 1146 2HB ASP 54 2HB ASP 54 20.837 -0.810 5.844 1147 H LYS 55 H LYS 55 19.111 1.095 5.830 1148 HA LYS 55 HA LYS 55 17.530 0.785 8.143 1149 1HB LYS 55 1HB LYS 55 19.071 2.623 7.827 1150 2HB LYS 55 2HB LYS 55 18.086 3.320 6.536 1151 1HG LYS 55 1HG LYS 55 16.826 2.819 9.253 1152 2HG LYS 55 2HG LYS 55 17.959 4.159 9.054 1153 1HD LYS 55 1HD LYS 55 16.524 5.071 7.188 1154 2HD LYS 55 2HD LYS 55 15.368 3.776 7.470 1155 1HE LYS 55 1HE LYS 55 14.564 5.728 8.579 1156 2HE LYS 55 2HE LYS 55 15.012 4.523 9.793 1157 1HZ LYS 55 1HZ LYS 55 17.047 5.727 10.143 1158 2HZ LYS 55 2HZ LYS 55 16.656 6.825 8.975 1159 3HZ LYS 55 3HZ LYS 55 15.756 6.724 10.352 1160 H VAL 56 H VAL 56 16.553 2.059 4.883 1161 HA VAL 56 HA VAL 56 13.891 2.598 5.818 1162 HB VAL 56 HB VAL 56 13.216 2.973 3.563 1163 1HG1 VAL 56 1HG1 VAL 56 14.713 4.821 3.029 1164 2HG1 VAL 56 2HG1 VAL 56 14.461 4.729 4.780 1165 3HG1 VAL 56 3HG1 VAL 56 15.983 4.157 4.068 1166 1HG2 VAL 56 1HG2 VAL 56 14.401 1.184 2.361 1167 2HG2 VAL 56 2HG2 VAL 56 14.730 2.769 1.648 1168 3HG2 VAL 56 3HG2 VAL 56 15.941 2.003 2.685 1169 H MET 57 H MET 57 15.308 -0.303 4.195 1170 HA MET 57 HA MET 57 12.785 -1.646 4.110 1171 1HB MET 57 1HB MET 57 13.842 -3.377 3.274 1172 2HB MET 57 2HB MET 57 15.165 -2.242 3.048 1173 1HG MET 57 1HG MET 57 16.151 -3.117 5.223 1174 2HG MET 57 2HG MET 57 14.852 -4.316 5.258 1175 1HE MET 57 1HE MET 57 14.413 -5.855 3.102 1176 2HE MET 57 2HE MET 57 14.975 -4.783 1.802 1177 3HE MET 57 3HE MET 57 15.728 -6.367 2.037 1178 H GLU 58 H GLU 58 15.380 -1.660 6.587 1179 HA GLU 58 HA GLU 58 14.305 -3.444 8.421 1180 1HB GLU 58 1HB GLU 58 16.553 -2.561 8.580 1181 2HB GLU 58 2HB GLU 58 15.946 -0.928 8.910 1182 1HG GLU 58 1HG GLU 58 15.005 -1.653 11.046 1183 2HG GLU 58 2HG GLU 58 15.394 -3.336 10.674 1184 H THR 59 H THR 59 13.749 0.034 8.112 1185 HA THR 59 HA THR 59 12.060 0.489 10.297 1186 HB THR 59 HB THR 59 12.136 1.771 7.535 1187 HG1 THR 59 HG1 THR 59 14.026 1.934 8.699 1188 1HG2 THR 59 1HG2 THR 59 10.789 2.806 10.055 1189 2HG2 THR 59 2HG2 THR 59 11.127 3.761 8.592 1190 3HG2 THR 59 3HG2 THR 59 9.994 2.411 8.509 1191 H LEU 60 H LEU 60 11.242 -1.105 7.197 1192 HA LEU 60 HA LEU 60 8.399 -1.372 8.130 1193 1HB LEU 60 1HB LEU 60 9.602 -1.658 5.352 1194 2HB LEU 60 2HB LEU 60 7.939 -2.037 5.802 1195 HG LEU 60 HG LEU 60 7.726 -0.043 4.766 1196 1HD1 LEU 60 1HD1 LEU 60 6.833 1.466 6.394 1197 2HD1 LEU 60 2HD1 LEU 60 6.531 -0.185 6.953 1198 3HD1 LEU 60 3HD1 LEU 60 7.830 0.790 7.687 1199 1HD2 LEU 60 1HD2 LEU 60 8.979 1.997 5.157 1200 2HD2 LEU 60 2HD2 LEU 60 9.997 1.190 6.359 1201 3HD2 LEU 60 3HD2 LEU 60 10.052 0.678 4.657 1202 H ASP 61 H ASP 61 11.252 -3.057 8.381 1203 HA ASP 61 HA ASP 61 10.435 -5.552 7.224 1204 1HB ASP 61 1HB ASP 61 12.773 -4.881 7.399 1205 2HB ASP 61 2HB ASP 61 12.665 -4.918 9.170 1206 H SER 62 H SER 62 8.280 -5.523 8.352 1207 HA SER 62 HA SER 62 7.755 -6.265 10.976 1208 1HB SER 62 1HB SER 62 5.793 -7.437 10.065 1209 2HB SER 62 2HB SER 62 6.051 -5.903 9.202 1210 HG SER 62 HG SER 62 5.703 -7.538 7.698 1211 H ASP 63 H ASP 63 9.022 -8.267 8.348 1212 HA ASP 63 HA ASP 63 8.807 -10.784 9.653 1213 1HB ASP 63 1HB ASP 63 10.842 -9.992 7.519 1214 2HB ASP 63 2HB ASP 63 10.234 -11.608 7.872 1215 H GLY 64 H GLY 64 11.039 -8.174 10.218 1216 1HA GLY 64 1HA GLY 64 13.079 -7.990 11.208 1217 2HA GLY 64 2HA GLY 64 12.537 -9.319 12.246 1218 H ASP 65 H ASP 65 13.080 -9.551 8.709 1219 HA ASP 65 HA ASP 65 15.166 -11.636 9.221 1220 1HB ASP 65 1HB ASP 65 12.873 -12.457 8.565 1221 2HB ASP 65 2HB ASP 65 13.011 -11.525 7.063 1222 H GLY 66 H GLY 66 15.040 -8.546 8.393 1223 1HA GLY 66 1HA GLY 66 16.335 -7.205 7.079 1224 2HA GLY 66 2HA GLY 66 17.152 -8.610 6.370 1225 H GLU 67 H GLU 67 15.685 -9.997 4.998 1226 HA GLU 67 HA GLU 67 14.748 -8.437 2.849 1227 1HB GLU 67 1HB GLU 67 13.655 -10.642 2.039 1228 2HB GLU 67 2HB GLU 67 15.398 -10.494 2.060 1229 1HG GLU 67 1HG GLU 67 14.062 -11.663 4.500 1230 2HG GLU 67 2HG GLU 67 14.142 -12.634 3.029 1231 H CYS 68 H CYS 68 12.885 -7.577 2.291 1232 HA CYS 68 HA CYS 68 10.821 -7.456 4.437 1233 1HB CYS 68 1HB CYS 68 11.784 -5.591 2.254 1234 2HB CYS 68 2HB CYS 68 10.149 -5.398 2.934 1235 HG CYS 68 HG CYS 68 12.902 -5.759 4.700 1236 H ASP 69 H ASP 69 8.808 -8.206 4.163 1237 HA ASP 69 HA ASP 69 8.272 -9.908 1.959 1238 1HB ASP 69 1HB ASP 69 7.502 -10.214 4.312 1239 2HB ASP 69 2HB ASP 69 6.372 -8.856 4.103 1240 H PHE 70 H PHE 70 6.473 -9.790 0.462 1241 HA PHE 70 HA PHE 70 6.048 -7.474 -1.000 1242 1HB PHE 70 1HB PHE 70 5.248 -9.667 -1.691 1243 2HB PHE 70 2HB PHE 70 4.040 -9.681 -0.418 1244 HD1 PHE 70 HD1 PHE 70 2.127 -7.931 -0.509 1245 HD2 PHE 70 HD2 PHE 70 4.805 -8.640 -3.792 1246 HE1 PHE 70 HE1 PHE 70 0.790 -6.416 -1.922 1247 HE2 PHE 70 HE2 PHE 70 3.497 -7.091 -5.212 1248 HZ PHE 70 HZ PHE 70 1.554 -5.887 -4.257 1249 H GLN 71 H GLN 71 4.220 -8.503 1.917 1250 HA GLN 71 HA GLN 71 2.342 -6.401 1.978 1251 1HB GLN 71 1HB GLN 71 3.725 -7.837 4.289 1252 2HB GLN 71 2HB GLN 71 2.291 -6.805 4.438 1253 1HG GLN 71 1HG GLN 71 1.062 -8.300 2.866 1254 2HG GLN 71 2HG GLN 71 2.476 -9.355 2.771 1255 1HE2 GLN 71 2HE2 GLN 71 0.064 -8.006 5.065 1256 2HE2 GLN 71 1HE2 GLN 71 0.171 -9.371 6.182 1257 H GLU 72 H GLU 72 5.757 -6.394 3.054 1258 HA GLU 72 HA GLU 72 5.469 -3.792 4.376 1259 1HB GLU 72 1HB GLU 72 7.977 -5.418 3.775 1260 2HB GLU 72 2HB GLU 72 7.813 -4.082 4.916 1261 1HG GLU 72 1HG GLU 72 6.683 -6.888 5.123 1262 2HG GLU 72 2HG GLU 72 7.732 -6.055 6.246 1263 H PHE 73 H PHE 73 6.836 -5.090 1.390 1264 HA PHE 73 HA PHE 73 7.818 -2.665 0.237 1265 1HB PHE 73 1HB PHE 73 8.306 -4.516 -1.016 1266 2HB PHE 73 2HB PHE 73 6.773 -5.298 -0.724 1267 HD1 PHE 73 HD1 PHE 73 4.877 -5.037 -2.241 1268 HD2 PHE 73 HD2 PHE 73 8.510 -2.773 -2.830 1269 HE1 PHE 73 HE1 PHE 73 4.184 -4.516 -4.552 1270 HE2 PHE 73 HE2 PHE 73 7.843 -2.365 -5.192 1271 HZ PHE 73 HZ PHE 73 5.744 -3.286 -6.076 1272 H MET 74 H MET 74 4.534 -4.126 0.167 1273 HA MET 74 HA MET 74 3.402 -1.959 -1.212 1274 1HB MET 74 1HB MET 74 2.583 -4.459 -0.731 1275 2HB MET 74 2HB MET 74 1.613 -3.641 0.503 1276 1HG MET 74 1HG MET 74 1.779 -2.907 -2.464 1277 2HG MET 74 2HG MET 74 0.545 -3.936 -1.763 1278 1HE MET 74 1HE MET 74 -1.543 -0.856 -2.733 1279 2HE MET 74 2HE MET 74 -0.079 -1.363 -3.610 1280 3HE MET 74 3HE MET 74 -1.196 -2.591 -2.971 1281 H ALA 75 H ALA 75 3.664 -2.591 2.274 1282 HA ALA 75 HA ALA 75 2.200 -0.336 3.191 1283 1HB ALA 75 1HB ALA 75 4.704 -1.519 4.456 1284 2HB ALA 75 2HB ALA 75 3.481 -0.512 5.247 1285 3HB ALA 75 3HB ALA 75 3.048 -2.133 4.672 1286 H PHE 76 H PHE 76 5.610 -0.590 2.103 1287 HA PHE 76 HA PHE 76 6.297 2.147 2.692 1288 1HB PHE 76 1HB PHE 76 8.041 0.569 2.416 1289 2HB PHE 76 2HB PHE 76 7.495 0.120 0.810 1290 HD1 PHE 76 HD1 PHE 76 8.898 3.017 2.790 1291 HD2 PHE 76 HD2 PHE 76 8.298 1.218 -1.103 1292 HE1 PHE 76 HE1 PHE 76 10.432 4.672 1.763 1293 HE2 PHE 76 HE2 PHE 76 9.851 2.856 -2.099 1294 HZ PHE 76 HZ PHE 76 10.915 4.588 -0.688 1295 H VAL 77 H VAL 77 5.229 0.480 -0.316 1296 HA VAL 77 HA VAL 77 4.949 2.755 -1.958 1297 HB VAL 77 HB VAL 77 3.439 0.147 -1.835 1298 1HG1 VAL 77 1HG1 VAL 77 1.923 1.700 -2.966 1299 2HG1 VAL 77 2HG1 VAL 77 3.260 2.347 -3.947 1300 3HG1 VAL 77 3HG1 VAL 77 2.692 0.683 -4.186 1301 1HG2 VAL 77 1HG2 VAL 77 4.816 -0.430 -3.785 1302 2HG2 VAL 77 2HG2 VAL 77 5.542 1.191 -3.786 1303 3HG2 VAL 77 3HG2 VAL 77 5.875 0.067 -2.459 1304 H ALA 78 H ALA 78 2.633 1.449 0.486 1305 HA ALA 78 HA ALA 78 0.502 3.173 -0.100 1306 1HB ALA 78 1HB ALA 78 1.233 2.102 2.655 1307 2HB ALA 78 2HB ALA 78 -0.335 2.711 2.133 1308 3HB ALA 78 3HB ALA 78 0.316 1.224 1.412 1309 H MET 79 H MET 79 3.140 3.690 2.341 1310 HA MET 79 HA MET 79 2.218 6.312 3.023 1311 1HB MET 79 1HB MET 79 4.488 6.764 3.890 1312 2HB MET 79 2HB MET 79 3.726 5.298 4.531 1313 1HG MET 79 1HG MET 79 5.105 3.916 3.138 1314 2HG MET 79 2HG MET 79 5.796 5.332 2.305 1315 1HE MET 79 1HE MET 79 6.904 4.065 6.558 1316 2HE MET 79 2HE MET 79 5.347 4.867 6.236 1317 3HE MET 79 3HE MET 79 5.683 3.261 5.538 1318 H ILE 80 H ILE 80 4.565 5.254 0.543 1319 HA ILE 80 HA ILE 80 5.401 7.817 -0.323 1320 HB ILE 80 HB ILE 80 5.113 5.126 -1.697 1321 1HG1 ILE 80 1HG1 ILE 80 6.744 5.365 0.226 1322 2HG1 ILE 80 2HG1 ILE 80 7.405 4.784 -1.300 1323 1HG2 ILE 80 1HG2 ILE 80 6.499 7.548 -2.859 1324 2HG2 ILE 80 2HG2 ILE 80 6.619 5.889 -3.470 1325 3HG2 ILE 80 3HG2 ILE 80 5.069 6.718 -3.509 1326 1HD1 ILE 80 1HD1 ILE 80 8.863 6.372 -0.124 1327 2HD1 ILE 80 2HD1 ILE 80 8.395 6.978 -1.724 1328 3HD1 ILE 80 3HD1 ILE 80 7.638 7.641 -0.253 1329 H THR 81 H THR 81 2.773 5.760 -1.546 1330 HA THR 81 HA THR 81 1.831 7.544 -3.554 1331 HB THR 81 HB THR 81 0.265 5.427 -1.997 1332 HG1 THR 81 HG1 THR 81 2.094 4.514 -2.910 1333 1HG2 THR 81 1HG2 THR 81 -1.067 6.998 -3.509 1334 2HG2 THR 81 2HG2 THR 81 -0.109 6.389 -4.857 1335 3HG2 THR 81 3HG2 THR 81 -1.143 5.279 -3.960 1336 H THR 82 H THR 82 0.739 6.968 -0.143 1337 HA THR 82 HA THR 82 -1.404 8.802 -0.213 1338 HB THR 82 HB THR 82 0.275 7.981 2.190 1339 HG1 THR 82 HG1 THR 82 -0.571 6.185 1.209 1340 1HG2 THR 82 1HG2 THR 82 -2.602 8.993 1.993 1341 2HG2 THR 82 2HG2 THR 82 -1.788 8.429 3.461 1342 3HG2 THR 82 3HG2 THR 82 -1.236 9.913 2.673 1343 H ALA 83 H ALA 83 2.045 9.298 0.709 1344 HA ALA 83 HA ALA 83 1.833 12.040 1.411 1345 1HB ALA 83 1HB ALA 83 3.780 10.599 1.903 1346 2HB ALA 83 2HB ALA 83 4.180 10.528 0.175 1347 3HB ALA 83 3HB ALA 83 4.265 12.070 1.047 1348 H CYS 84 H CYS 84 2.523 10.466 -1.771 1349 HA CYS 84 HA CYS 84 2.762 12.922 -3.226 1350 1HB CYS 84 1HB CYS 84 3.567 10.862 -4.173 1351 2HB CYS 84 2HB CYS 84 1.930 10.160 -4.154 1352 HG CYS 84 HG CYS 84 2.993 12.882 -5.703 1353 H HIS 85 H HIS 85 -0.161 10.891 -2.491 1354 HA HIS 85 HA HIS 85 -2.022 12.406 -3.910 1355 1HB HIS 85 1HB HIS 85 -3.237 10.728 -3.171 1356 2HB HIS 85 2HB HIS 85 -1.996 10.202 -2.058 1357 HD1 HIS 85 HD1 HIS 85 -2.369 10.851 0.522 1358 HD2 HIS 85 HD2 HIS 85 -5.090 12.374 -2.227 1359 HE1 HIS 85 HE1 HIS 85 -4.343 11.735 1.910 1360 H GLU 86 H GLU 86 -0.960 12.751 -0.463 1361 HA GLU 86 HA GLU 86 -2.479 15.036 0.151 1362 1HB GLU 86 1HB GLU 86 0.308 14.241 1.099 1363 2HB GLU 86 2HB GLU 86 -0.622 15.576 1.783 1364 1HG GLU 86 1HG GLU 86 -2.396 14.093 2.514 1365 2HG GLU 86 2HG GLU 86 -1.652 12.714 1.701 1366 H PHE 87 H PHE 87 0.741 14.827 -1.407 1367 HA PHE 87 HA PHE 87 1.214 17.637 -1.555 1368 1HB PHE 87 1HB PHE 87 2.904 15.851 -1.936 1369 2HB PHE 87 2HB PHE 87 2.135 15.435 -3.449 1370 HD1 PHE 87 HD1 PHE 87 2.432 16.778 -5.461 1371 HD2 PHE 87 HD2 PHE 87 3.982 18.159 -1.682 1372 HE1 PHE 87 HE1 PHE 87 3.931 18.351 -6.645 1373 HE2 PHE 87 HE2 PHE 87 5.525 19.684 -2.878 1374 HZ PHE 87 HZ PHE 87 5.518 19.770 -5.362 1375 H PHE 88 H PHE 88 -0.179 15.381 -3.950 1376 HA PHE 88 HA PHE 88 -0.560 17.367 -5.952 1377 1HB PHE 88 1HB PHE 88 -0.257 15.004 -6.458 1378 2HB PHE 88 2HB PHE 88 -1.734 14.602 -5.564 1379 HD1 PHE 88 HD1 PHE 88 -1.463 17.468 -8.017 1380 HD2 PHE 88 HD2 PHE 88 -2.774 13.413 -7.353 1381 HE1 PHE 88 HE1 PHE 88 -2.777 17.546 -10.098 1382 HE2 PHE 88 HE2 PHE 88 -4.077 13.493 -9.458 1383 HZ PHE 88 HZ PHE 88 -4.101 15.574 -10.823 1384 H GLU 89 H GLU 89 -2.720 16.110 -3.398 1385 HA GLU 89 HA GLU 89 -5.176 17.194 -4.281 1386 1HB GLU 89 1HB GLU 89 -3.985 16.798 -1.513 1387 2HB GLU 89 2HB GLU 89 -5.640 17.371 -1.740 1388 1HG GLU 89 1HG GLU 89 -4.720 14.796 -3.050 1389 2HG GLU 89 2HG GLU 89 -5.164 14.832 -1.352 1390 H HIS 90 H HIS 90 -2.857 18.741 -1.957 1391 HA HIS 90 HA HIS 90 -4.202 21.335 -2.480 1392 1HB HIS 90 1HB HIS 90 -3.643 20.613 -0.186 1393 2HB HIS 90 2HB HIS 90 -1.922 20.676 -0.600 1394 HD1 HIS 90 HD1 HIS 90 -0.848 23.027 -0.154 1395 HD2 HIS 90 HD2 HIS 90 -5.035 23.079 -0.602 1396 HE1 HIS 90 HE1 HIS 90 -1.600 25.431 0.253 1397 H GLU 91 H GLU 91 -3.491 21.040 -4.792 1398 HA GLU 91 HA GLU 91 -0.896 21.214 -5.733 1399 1HB GLU 91 1HB GLU 91 -3.304 22.765 -6.803 1400 2HB GLU 91 2HB GLU 91 -1.797 22.450 -7.679 1401 1HG GLU 91 1HG GLU 91 -2.220 19.981 -7.425 1402 2HG GLU 91 2HG GLU 91 -3.813 20.360 -6.745 1403 1H LYS 62 H1 LYS 62 -30.253 -16.517 14.904 1404 2H LYS 62 H2 LYS 62 -31.093 -15.963 13.612 1405 3H LYS 62 H3 LYS 62 -30.155 -14.918 14.486 1406 HA LYS 62 HA LYS 62 -29.136 -15.478 12.423 1407 1HB LYS 62 1HB LYS 62 -26.941 -16.085 13.281 1408 2HB LYS 62 2HB LYS 62 -27.730 -14.952 14.376 1409 1HG LYS 62 1HG LYS 62 -28.321 -16.797 15.911 1410 2HG LYS 62 2HG LYS 62 -27.628 -17.978 14.783 1411 1HD LYS 62 1HD LYS 62 -25.396 -16.837 15.012 1412 2HD LYS 62 2HD LYS 62 -26.120 -15.728 16.187 1413 1HE LYS 62 1HE LYS 62 -24.942 -17.485 17.375 1414 2HE LYS 62 2HE LYS 62 -26.680 -17.674 17.660 1415 1HZ LYS 62 1HZ LYS 62 -26.692 -19.410 16.014 1416 2HZ LYS 62 2HZ LYS 62 -25.090 -19.191 15.702 1417 3HZ LYS 62 3HZ LYS 62 -25.575 -19.744 17.174 1418 H ARG 63 H ARG 63 -27.537 -17.358 11.643 1419 HA ARG 63 HA ARG 63 -27.076 -19.486 11.011 1420 1HB ARG 63 1HB ARG 63 -27.680 -20.171 13.352 1421 2HB ARG 63 2HB ARG 63 -29.310 -20.566 12.763 1422 1HG ARG 63 1HG ARG 63 -28.302 -22.132 11.105 1423 2HG ARG 63 2HG ARG 63 -26.696 -21.776 11.761 1424 1HD ARG 63 1HD ARG 63 -29.025 -23.013 13.319 1425 2HD ARG 63 2HD ARG 63 -27.674 -23.883 12.620 1426 HE ARG 63 HE ARG 63 -26.179 -23.074 14.180 1427 1HH1 ARG 63 2HH1 ARG 63 -29.364 -21.657 14.803 1428 2HH1 ARG 63 1HH1 ARG 63 -29.071 -21.411 16.501 1429 1HH2 ARG 63 2HH2 ARG 63 -25.787 -22.745 16.382 1430 2HH2 ARG 63 1HH2 ARG 63 -26.992 -22.017 17.406 1431 H LEU 64 H LEU 64 -30.618 -19.044 11.303 1432 HA LEU 64 HA LEU 64 -31.307 -20.359 8.834 1433 1HB LEU 64 1HB LEU 64 -32.775 -18.194 10.390 1434 2HB LEU 64 2HB LEU 64 -33.467 -19.223 9.131 1435 HG LEU 64 HG LEU 64 -32.405 -20.162 11.842 1436 1HD1 LEU 64 1HD1 LEU 64 -34.769 -20.597 12.341 1437 2HD1 LEU 64 2HD1 LEU 64 -34.508 -18.884 11.970 1438 3HD1 LEU 64 3HD1 LEU 64 -35.241 -19.953 10.754 1439 1HD2 LEU 64 1HD2 LEU 64 -33.484 -22.337 11.224 1440 2HD2 LEU 64 2HD2 LEU 64 -33.737 -21.720 9.578 1441 3HD2 LEU 64 3HD2 LEU 64 -32.090 -21.962 10.209 1442 H ARG 65 H ARG 65 -29.661 -19.540 7.478 1443 HA ARG 65 HA ARG 65 -29.084 -18.446 5.573 1444 1HB ARG 65 1HB ARG 65 -31.192 -16.306 6.051 1445 2HB ARG 65 2HB ARG 65 -30.294 -16.646 4.580 1446 1HG ARG 65 1HG ARG 65 -32.397 -18.451 5.861 1447 2HG ARG 65 2HG ARG 65 -32.594 -17.442 4.435 1448 1HD ARG 65 1HD ARG 65 -30.797 -18.810 3.274 1449 2HD ARG 65 2HD ARG 65 -30.723 -19.836 4.707 1450 HE ARG 65 HE ARG 65 -32.635 -20.894 4.129 1451 1HH1 ARG 65 2HH1 ARG 65 -32.430 -17.932 2.217 1452 2HH1 ARG 65 1HH1 ARG 65 -33.756 -18.349 1.164 1453 1HH2 ARG 65 2HH2 ARG 65 -34.378 -21.445 2.784 1454 2HH2 ARG 65 1HH2 ARG 65 -34.891 -20.379 1.505 1455 H ARG 66 H ARG 66 -30.009 -16.105 8.088 1456 HA ARG 66 HA ARG 66 -27.699 -14.400 7.812 1457 1HB ARG 66 1HB ARG 66 -29.982 -13.771 8.694 1458 2HB ARG 66 2HB ARG 66 -29.649 -14.734 10.129 1459 1HG ARG 66 1HG ARG 66 -29.293 -12.426 10.621 1460 2HG ARG 66 2HG ARG 66 -27.722 -13.211 10.667 1461 1HD ARG 66 1HD ARG 66 -28.387 -12.118 7.979 1462 2HD ARG 66 2HD ARG 66 -28.454 -10.891 9.251 1463 HE ARG 66 HE ARG 66 -26.070 -12.233 9.720 1464 1HH1 ARG 66 1HH2 ARG 66 -27.438 -10.283 7.070 1465 2HH1 ARG 66 2HH2 ARG 66 -25.868 -9.707 6.555 1466 1HH2 ARG 66 1HH1 ARG 66 -24.129 -11.405 9.127 1467 2HH2 ARG 66 2HH1 ARG 66 -23.945 -10.397 7.700 1468 H SER 67 H SER 67 -26.265 -16.379 7.737 1469 HA SER 67 HA SER 67 -25.695 -17.820 10.205 1470 1HB SER 67 1HB SER 67 -23.834 -18.712 8.562 1471 2HB SER 67 2HB SER 67 -25.524 -19.190 8.383 1472 HG SER 67 HG SER 67 -25.812 -17.768 6.716 1473 H ALA 68 H ALA 68 -25.441 -15.678 11.236 1474 HA ALA 68 HA ALA 68 -24.235 -14.131 12.321 1475 1HB ALA 68 1HB ALA 68 -22.891 -15.964 13.138 1476 2HB ALA 68 2HB ALA 68 -21.853 -15.936 11.704 1477 3HB ALA 68 3HB ALA 68 -21.854 -14.561 12.829 1478 H HIS 69 H HIS 69 -21.566 -14.737 10.063 1479 HA HIS 69 HA HIS 69 -21.588 -11.941 9.214 1480 1HB HIS 69 1HB HIS 69 -19.526 -13.340 9.580 1481 2HB HIS 69 2HB HIS 69 -19.940 -14.242 8.118 1482 HD1 HIS 69 HD1 HIS 69 -20.857 -11.155 6.792 1483 HD2 HIS 69 HD2 HIS 69 -17.207 -12.638 8.292 1484 HE1 HIS 69 HE1 HIS 69 -18.998 -9.741 5.752 1485 H ALA 70 H ALA 70 -22.835 -15.010 8.100 1486 HA ALA 70 HA ALA 70 -24.378 -15.525 6.606 1487 1HB ALA 70 1HB ALA 70 -25.431 -13.347 6.859 1488 2HB ALA 70 2HB ALA 70 -24.452 -12.705 5.516 1489 3HB ALA 70 3HB ALA 70 -25.595 -14.024 5.233 1490 H ARG 71 H ARG 71 -23.884 -16.863 5.051 1491 HA ARG 71 HA ARG 71 -21.524 -17.229 3.891 1492 1HB ARG 71 1HB ARG 71 -24.103 -17.847 2.402 1493 2HB ARG 71 2HB ARG 71 -22.544 -18.654 2.238 1494 1HG ARG 71 1HG ARG 71 -24.479 -18.801 4.587 1495 2HG ARG 71 2HG ARG 71 -23.989 -20.065 3.472 1496 1HD ARG 71 1HD ARG 71 -22.781 -20.575 5.390 1497 2HD ARG 71 2HD ARG 71 -21.606 -19.767 4.355 1498 HE ARG 71 HE ARG 71 -23.192 -18.335 6.486 1499 1HH1 ARG 71 2HH2 ARG 71 -19.974 -19.215 5.237 1500 2HH1 ARG 71 1HH2 ARG 71 -19.124 -18.245 6.392 1501 1HH2 ARG 71 2HH1 ARG 71 -22.042 -17.120 8.066 1502 2HH2 ARG 71 1HH1 ARG 71 -20.307 -17.035 7.981 1503 H LYS 72 H LYS 72 -24.144 -15.508 2.190 1504 HA LYS 72 HA LYS 72 -22.879 -14.816 -0.162 1505 1HB LYS 72 1HB LYS 72 -24.474 -12.958 -0.295 1506 2HB LYS 72 2HB LYS 72 -25.217 -14.462 0.258 1507 1HG LYS 72 1HG LYS 72 -24.948 -13.529 2.669 1508 2HG LYS 72 2HG LYS 72 -24.562 -11.981 1.882 1509 1HD LYS 72 1HD LYS 72 -26.728 -11.896 0.821 1510 2HD LYS 72 2HD LYS 72 -27.099 -13.559 1.288 1511 1HE LYS 72 1HE LYS 72 -28.294 -11.946 2.705 1512 2HE LYS 72 2HE LYS 72 -27.202 -12.967 3.653 1513 1HZ LYS 72 1HZ LYS 72 -25.646 -11.151 3.692 1514 2HZ LYS 72 2HZ LYS 72 -26.642 -10.227 2.761 1515 3HZ LYS 72 3HZ LYS 72 -27.103 -10.659 4.282 1516 H GLU 73 H GLU 73 -22.521 -13.162 3.011 1517 HA GLU 73 HA GLU 73 -20.949 -10.987 1.846 1518 1HB GLU 73 1HB GLU 73 -21.298 -11.780 4.740 1519 2HB GLU 73 2HB GLU 73 -20.655 -10.249 4.113 1520 1HG GLU 73 1HG GLU 73 -22.893 -9.739 3.124 1521 2HG GLU 73 2HG GLU 73 -23.520 -11.241 3.825 1522 H THR 74 H THR 74 -20.334 -14.118 3.561 1523 HA THR 74 HA THR 74 -17.555 -13.557 3.910 1524 HB THR 74 HB THR 74 -17.296 -15.861 4.391 1525 HG1 THR 74 HG1 THR 74 -19.741 -16.159 3.107 1526 1HG2 THR 74 1HG2 THR 74 -18.768 -16.063 6.290 1527 2HG2 THR 74 2HG2 THR 74 -19.921 -14.911 5.597 1528 3HG2 THR 74 3HG2 THR 74 -18.304 -14.368 6.093 1529 H GLU 75 H GLU 75 -19.393 -14.753 1.120 1530 HA GLU 75 HA GLU 75 -17.546 -16.155 -0.257 1531 1HB GLU 75 1HB GLU 75 -19.891 -15.647 -0.983 1532 2HB GLU 75 2HB GLU 75 -19.367 -14.046 -1.509 1533 1HG GLU 75 1HG GLU 75 -19.524 -15.534 -3.415 1534 2HG GLU 75 2HG GLU 75 -17.838 -15.081 -3.168 1535 H PHE 76 H PHE 76 -17.737 -12.586 -0.450 1536 HA PHE 76 HA PHE 76 -15.643 -12.081 -2.230 1537 1HB PHE 76 1HB PHE 76 -16.323 -10.441 0.248 1538 2HB PHE 76 2HB PHE 76 -15.529 -9.863 -1.207 1539 HD1 PHE 76 HD1 PHE 76 -16.834 -9.600 -3.344 1540 HD2 PHE 76 HD2 PHE 76 -18.727 -10.830 0.326 1541 HE1 PHE 76 HE1 PHE 76 -19.053 -9.238 -4.336 1542 HE2 PHE 76 HE2 PHE 76 -20.923 -10.691 -0.748 1543 HZ PHE 76 HZ PHE 76 -21.122 -9.756 -3.053 1544 H LEU 77 H LEU 77 -15.499 -12.988 1.152 1545 HA LEU 77 HA LEU 77 -12.666 -12.227 1.461 1546 1HB LEU 77 1HB LEU 77 -14.674 -13.355 3.437 1547 2HB LEU 77 2HB LEU 77 -13.110 -12.609 3.809 1548 HG LEU 77 HG LEU 77 -15.579 -11.219 2.607 1549 1HD1 LEU 77 1HD1 LEU 77 -14.258 -10.902 5.324 1550 2HD1 LEU 77 2HD1 LEU 77 -15.764 -11.791 4.993 1551 3HD1 LEU 77 3HD1 LEU 77 -15.693 -10.044 4.713 1552 1HD2 LEU 77 1HD2 LEU 77 -13.577 -10.135 1.693 1553 2HD2 LEU 77 2HD2 LEU 77 -12.857 -10.041 3.318 1554 3HD2 LEU 77 3HD2 LEU 77 -14.322 -9.114 2.921 1555 H ARG 78 H ARG 78 -14.793 -15.110 1.311 1556 HA ARG 78 HA ARG 78 -12.688 -16.978 1.776 1557 1HB ARG 78 1HB ARG 78 -14.151 -18.645 1.423 1558 2HB ARG 78 2HB ARG 78 -15.269 -17.334 1.776 1559 1HG ARG 78 1HG ARG 78 -16.287 -18.346 -0.012 1560 2HG ARG 78 2HG ARG 78 -15.386 -17.082 -0.837 1561 1HD ARG 78 1HD ARG 78 -13.562 -18.867 -1.249 1562 2HD ARG 78 2HD ARG 78 -14.745 -20.044 -0.677 1563 HE ARG 78 HE ARG 78 -16.226 -18.753 -2.479 1564 1HH1 ARG 78 1HH2 ARG 78 -12.810 -19.821 -2.917 1565 2HH1 ARG 78 2HH2 ARG 78 -13.044 -20.031 -4.625 1566 1HH2 ARG 78 1HH1 ARG 78 -16.362 -18.801 -4.636 1567 2HH2 ARG 78 2HH1 ARG 78 -15.080 -19.430 -5.651 1568 H LEU 79 H LEU 79 -13.843 -15.299 -1.178 1569 HA LEU 79 HA LEU 79 -12.148 -16.523 -3.053 1570 1HB LEU 79 1HB LEU 79 -13.400 -13.829 -2.751 1571 2HB LEU 79 2HB LEU 79 -11.943 -13.835 -3.728 1572 HG LEU 79 HG LEU 79 -13.911 -14.019 -5.094 1573 1HD1 LEU 79 1HD1 LEU 79 -12.388 -16.650 -5.233 1574 2HD1 LEU 79 2HD1 LEU 79 -11.789 -15.086 -5.831 1575 3HD1 LEU 79 3HD1 LEU 79 -13.245 -15.809 -6.531 1576 1HD2 LEU 79 1HD2 LEU 79 -15.279 -16.113 -5.109 1577 2HD2 LEU 79 2HD2 LEU 79 -14.489 -16.600 -3.599 1578 3HD2 LEU 79 3HD2 LEU 79 -15.476 -15.129 -3.654 1579 H LYS 80 H LYS 80 -11.325 -13.845 -0.788 1580 HA LYS 80 HA LYS 80 -8.623 -13.553 -1.562 1581 1HB LYS 80 1HB LYS 80 -9.872 -13.037 1.117 1582 2HB LYS 80 2HB LYS 80 -8.209 -12.653 0.656 1583 1HG LYS 80 1HG LYS 80 -8.942 -11.220 -1.171 1584 2HG LYS 80 2HG LYS 80 -10.625 -11.728 -0.962 1585 1HD LYS 80 1HD LYS 80 -10.361 -9.592 0.005 1586 2HD LYS 80 2HD LYS 80 -10.681 -10.790 1.271 1587 1HE LYS 80 1HE LYS 80 -8.356 -10.759 2.001 1588 2HE LYS 80 2HE LYS 80 -7.873 -9.770 0.612 1589 1HZ LYS 80 1HZ LYS 80 -9.684 -8.928 2.763 1590 2HZ LYS 80 2HZ LYS 80 -8.105 -8.487 2.610 1591 3HZ LYS 80 3HZ LYS 80 -9.206 -8.001 1.485 1592 H ARG 81 H ARG 81 -10.067 -15.544 1.087 1593 HA ARG 81 HA ARG 81 -7.687 -16.849 1.890 1594 1HB ARG 81 1HB ARG 81 -10.479 -18.064 1.856 1595 2HB ARG 81 2HB ARG 81 -9.098 -18.632 2.784 1596 1HG ARG 81 1HG ARG 81 -10.658 -16.053 3.178 1597 2HG ARG 81 2HG ARG 81 -10.518 -17.422 4.273 1598 1HD ARG 81 1HD ARG 81 -8.355 -15.404 3.556 1599 2HD ARG 81 2HD ARG 81 -9.188 -15.602 5.105 1600 HE ARG 81 HE ARG 81 -7.956 -18.070 4.472 1601 1HH1 ARG 81 2HH2 ARG 81 -7.071 -14.774 5.343 1602 2HH1 ARG 81 1HH2 ARG 81 -5.571 -15.212 6.112 1603 1HH2 ARG 81 2HH1 ARG 81 -5.974 -18.678 5.438 1604 2HH2 ARG 81 1HH1 ARG 81 -4.929 -17.481 6.151 1605 H THR 82 H THR 82 -9.889 -17.716 -0.768 1606 HA THR 82 HA THR 82 -8.625 -20.195 -1.441 1607 HB THR 82 HB THR 82 -10.133 -18.303 -3.302 1608 HG1 THR 82 HG1 THR 82 -11.289 -18.916 -1.377 1609 1HG2 THR 82 1HG2 THR 82 -8.936 -20.133 -4.477 1610 2HG2 THR 82 2HG2 THR 82 -9.689 -21.319 -3.388 1611 3HG2 THR 82 3HG2 THR 82 -10.688 -20.379 -4.514 1612 H ARG 83 H ARG 83 -8.098 -16.790 -2.539 1613 HA ARG 83 HA ARG 83 -6.068 -17.483 -4.422 1614 1HB ARG 83 1HB ARG 83 -6.798 -14.894 -3.018 1615 2HB ARG 83 2HB ARG 83 -5.585 -14.995 -4.292 1616 1HG ARG 83 1HG ARG 83 -8.405 -16.053 -4.730 1617 2HG ARG 83 2HG ARG 83 -8.040 -14.345 -4.934 1618 1HD ARG 83 1HD ARG 83 -6.311 -16.375 -6.371 1619 2HD ARG 83 2HD ARG 83 -7.914 -16.063 -6.980 1620 HE ARG 83 HE ARG 83 -5.611 -14.219 -6.897 1621 1HH1 ARG 83 2HH1 ARG 83 -9.080 -14.547 -7.536 1622 2HH1 ARG 83 1HH1 ARG 83 -9.150 -13.213 -8.652 1623 1HH2 ARG 83 1HH2 ARG 83 -5.715 -12.358 -8.216 1624 2HH2 ARG 83 2HH2 ARG 83 -7.243 -11.844 -8.887 1625 H LEU 84 H LEU 84 -5.900 -16.686 -0.899 1626 HA LEU 84 HA LEU 84 -2.980 -16.879 -0.843 1627 1HB LEU 84 1HB LEU 84 -5.110 -17.315 1.304 1628 2HB LEU 84 2HB LEU 84 -3.401 -17.649 1.553 1629 HG LEU 84 HG LEU 84 -2.929 -15.232 0.840 1630 1HD1 LEU 84 1HD1 LEU 84 -4.746 -13.635 1.355 1631 2HD1 LEU 84 2HD1 LEU 84 -5.137 -14.659 -0.035 1632 3HD1 LEU 84 3HD1 LEU 84 -5.885 -14.984 1.548 1633 1HD2 LEU 84 1HD2 LEU 84 -2.659 -16.088 3.131 1634 2HD2 LEU 84 2HD2 LEU 84 -3.330 -14.450 3.154 1635 3HD2 LEU 84 3HD2 LEU 84 -4.394 -15.846 3.440 1636 H GLY 85 H GLY 85 -5.658 -19.155 -0.597 1637 1HA GLY 85 1HA GLY 85 -4.615 -21.383 0.465 1638 2HA GLY 85 2HA GLY 85 -5.902 -21.380 -0.744 1639 H LEU 86 H LEU 86 -3.826 -20.348 -2.819 1640 HA LEU 86 HA LEU 86 -2.954 -22.859 -3.881 1641 1HB LEU 86 1HB LEU 86 -1.899 -20.023 -4.249 1642 2HB LEU 86 2HB LEU 86 -1.233 -21.429 -5.075 1643 HG LEU 86 HG LEU 86 -2.666 -20.240 -6.538 1644 1HD1 LEU 86 1HD1 LEU 86 -3.986 -22.028 -7.413 1645 2HD1 LEU 86 2HD1 LEU 86 -2.500 -22.714 -6.738 1646 3HD1 LEU 86 3HD1 LEU 86 -4.036 -22.862 -5.852 1647 1HD2 LEU 86 1HD2 LEU 86 -5.028 -20.839 -4.709 1648 2HD2 LEU 86 2HD2 LEU 86 -4.254 -19.248 -4.920 1649 3HD2 LEU 86 3HD2 LEU 86 -5.077 -20.030 -6.278 1650 H GLU 87 H GLU 87 -1.512 -20.640 -1.518 1651 HA GLU 87 HA GLU 87 0.824 -22.437 -1.105 1652 1HB GLU 87 1HB GLU 87 -0.017 -19.807 0.201 1653 2HB GLU 87 2HB GLU 87 1.416 -20.761 0.622 1654 1HG GLU 87 1HG GLU 87 2.256 -20.528 -1.711 1655 2HG GLU 87 2HG GLU 87 0.838 -19.546 -2.121 1656 1H LYS 62 H1 LYS 62 11.645 19.902 15.039 1657 2H LYS 62 H2 LYS 62 13.072 20.108 14.229 1658 3H LYS 62 H3 LYS 62 11.685 20.721 13.604 1659 HA LYS 62 HA LYS 62 11.458 22.227 15.418 1660 1HB LYS 62 1HB LYS 62 14.207 21.198 16.217 1661 2HB LYS 62 2HB LYS 62 13.336 22.536 16.977 1662 1HG LYS 62 1HG LYS 62 11.472 20.945 17.558 1663 2HG LYS 62 2HG LYS 62 12.472 19.607 16.966 1664 1HD LYS 62 1HD LYS 62 13.208 21.497 19.253 1665 2HD LYS 62 2HD LYS 62 12.581 19.847 19.413 1666 1HE LYS 62 1HE LYS 62 14.577 19.044 18.060 1667 2HE LYS 62 2HE LYS 62 15.250 20.682 18.193 1668 1HZ LYS 62 1HZ LYS 62 16.062 19.153 19.839 1669 2HZ LYS 62 2HZ LYS 62 15.282 20.433 20.539 1670 3HZ LYS 62 3HZ LYS 62 14.552 18.955 20.456 1671 H ARG 63 H ARG 63 12.792 24.302 15.555 1672 HA ARG 63 HA ARG 63 13.547 25.103 12.872 1673 1HB ARG 63 1HB ARG 63 13.653 26.544 15.550 1674 2HB ARG 63 2HB ARG 63 13.967 27.289 13.970 1675 1HG ARG 63 1HG ARG 63 11.682 26.665 13.219 1676 2HG ARG 63 2HG ARG 63 11.331 25.992 14.818 1677 1HD ARG 63 1HD ARG 63 12.031 28.914 14.239 1678 2HD ARG 63 2HD ARG 63 10.424 28.265 14.508 1679 HE ARG 63 HE ARG 63 10.799 27.936 16.759 1680 1HH1 ARG 63 2HH2 ARG 63 13.769 29.159 15.264 1681 2HH1 ARG 63 1HH2 ARG 63 14.449 29.720 16.765 1682 1HH2 ARG 63 2HH1 ARG 63 11.688 28.653 18.711 1683 2HH2 ARG 63 1HH1 ARG 63 13.255 29.411 18.755 1684 H LEU 64 H LEU 64 15.180 23.421 12.745 1685 HA LEU 64 HA LEU 64 17.324 22.788 12.418 1686 1HB LEU 64 1HB LEU 64 18.359 25.164 14.010 1687 2HB LEU 64 2HB LEU 64 19.272 24.079 12.977 1688 HG LEU 64 HG LEU 64 17.132 26.038 12.026 1689 1HD1 LEU 64 1HD1 LEU 64 19.206 27.115 12.810 1690 2HD1 LEU 64 2HD1 LEU 64 20.164 26.067 11.741 1691 3HD1 LEU 64 3HD1 LEU 64 19.031 27.249 11.052 1692 1HD2 LEU 64 1HD2 LEU 64 18.966 24.162 10.459 1693 2HD2 LEU 64 2HD2 LEU 64 17.190 24.087 10.529 1694 3HD2 LEU 64 3HD2 LEU 64 17.982 25.459 9.750 1695 H ARG 65 H ARG 65 19.166 21.897 13.823 1696 HA ARG 65 HA ARG 65 19.657 20.335 15.412 1697 1HB ARG 65 1HB ARG 65 18.088 22.081 17.337 1698 2HB ARG 65 2HB ARG 65 19.361 20.941 17.745 1699 1HG ARG 65 1HG ARG 65 21.079 22.324 16.830 1700 2HG ARG 65 2HG ARG 65 19.940 23.345 15.963 1701 1HD ARG 65 1HD ARG 65 19.128 23.526 18.698 1702 2HD ARG 65 2HD ARG 65 20.885 23.586 18.704 1703 HE ARG 65 HE ARG 65 20.767 25.700 17.871 1704 1HH1 ARG 65 2HH2 ARG 65 17.774 24.030 16.927 1705 2HH1 ARG 65 1HH2 ARG 65 17.110 25.404 16.096 1706 1HH2 ARG 65 2HH1 ARG 65 19.840 27.534 16.852 1707 2HH2 ARG 65 1HH1 ARG 65 18.260 27.423 16.117 1708 H ARG 66 H ARG 66 17.442 19.810 13.800 1709 HA ARG 66 HA ARG 66 14.966 19.459 14.809 1710 1HB ARG 66 1HB ARG 66 16.427 17.574 12.933 1711 2HB ARG 66 2HB ARG 66 14.712 17.467 13.319 1712 1HG ARG 66 1HG ARG 66 14.254 19.625 12.342 1713 2HG ARG 66 2HG ARG 66 15.975 19.952 12.080 1714 1HD ARG 66 1HD ARG 66 14.723 19.105 10.009 1715 2HD ARG 66 2HD ARG 66 16.175 18.214 10.451 1716 HE ARG 66 HE ARG 66 14.973 16.342 10.960 1717 1HH1 ARG 66 1HH2 ARG 66 12.686 18.995 10.553 1718 2HH1 ARG 66 2HH2 ARG 66 11.278 17.999 10.804 1719 1HH2 ARG 66 2HH1 ARG 66 13.219 15.113 11.581 1720 2HH2 ARG 66 1HH1 ARG 66 11.587 15.721 11.393 1721 H SER 67 H SER 67 17.677 17.266 15.483 1722 HA SER 67 HA SER 67 17.952 15.674 17.054 1723 1HB SER 67 1HB SER 67 15.195 16.282 18.183 1724 2HB SER 67 2HB SER 67 16.530 15.421 18.941 1725 HG SER 67 HG SER 67 16.842 18.091 17.988 1726 H ALA 68 H ALA 68 14.548 15.542 15.885 1727 HA ALA 68 HA ALA 68 14.643 12.683 15.279 1728 1HB ALA 68 1HB ALA 68 12.529 13.808 15.843 1729 2HB ALA 68 2HB ALA 68 12.709 14.892 14.447 1730 3HB ALA 68 3HB ALA 68 12.472 13.149 14.196 1731 H HIS 69 H HIS 69 16.820 13.078 14.223 1732 HA HIS 69 HA HIS 69 16.548 13.181 11.318 1733 1HB HIS 69 1HB HIS 69 18.363 14.862 11.070 1734 2HB HIS 69 2HB HIS 69 16.897 15.539 11.771 1735 HD1 HIS 69 HD1 HIS 69 18.933 13.752 14.372 1736 HD2 HIS 69 HD2 HIS 69 18.730 17.548 12.558 1737 HE1 HIS 69 HE1 HIS 69 20.204 15.361 15.890 1738 H ALA 70 H ALA 70 18.355 12.184 10.296 1739 HA ALA 70 HA ALA 70 20.437 10.973 12.074 1740 1HB ALA 70 1HB ALA 70 18.958 9.602 9.803 1741 2HB ALA 70 2HB ALA 70 20.282 8.908 10.767 1742 3HB ALA 70 3HB ALA 70 18.727 9.278 11.537 1743 H ARG 71 H ARG 71 19.984 13.236 9.815 1744 HA ARG 71 HA ARG 71 21.278 14.343 8.414 1745 1HB ARG 71 1HB ARG 71 23.645 12.671 9.314 1746 2HB ARG 71 2HB ARG 71 23.656 14.277 8.584 1747 1HG ARG 71 1HG ARG 71 22.570 13.525 11.340 1748 2HG ARG 71 2HG ARG 71 24.043 14.421 10.996 1749 1HD ARG 71 1HD ARG 71 22.729 16.316 10.089 1750 2HD ARG 71 2HD ARG 71 21.235 15.405 10.287 1751 HE ARG 71 HE ARG 71 21.141 15.752 12.493 1752 1HH1 ARG 71 2HH2 ARG 71 24.372 16.687 11.447 1753 2HH1 ARG 71 1HH2 ARG 71 24.666 17.746 12.800 1754 1HH2 ARG 71 2HH1 ARG 71 21.427 17.216 14.190 1755 2HH2 ARG 71 1HH1 ARG 71 22.983 17.976 14.452 1756 H LYS 72 H LYS 72 22.649 11.037 8.039 1757 HA LYS 72 HA LYS 72 22.881 11.355 5.189 1758 1HB LYS 72 1HB LYS 72 24.326 9.825 6.299 1759 2HB LYS 72 2HB LYS 72 22.987 8.964 7.050 1760 1HG LYS 72 1HG LYS 72 24.036 7.695 5.213 1761 2HG LYS 72 2HG LYS 72 22.315 7.958 5.003 1762 1HD LYS 72 1HD LYS 72 23.465 8.200 2.884 1763 2HD LYS 72 2HD LYS 72 22.767 9.755 3.332 1764 1HE LYS 72 1HE LYS 72 24.989 10.538 4.116 1765 2HE LYS 72 2HE LYS 72 25.690 8.953 3.733 1766 1HZ LYS 72 1HZ LYS 72 25.115 9.330 1.446 1767 2HZ LYS 72 2HZ LYS 72 24.435 10.787 1.810 1768 3HZ LYS 72 3HZ LYS 72 26.056 10.561 2.008 1769 H GLU 73 H GLU 73 20.615 9.233 7.056 1770 HA GLU 73 HA GLU 73 19.068 8.490 4.839 1771 1HB GLU 73 1HB GLU 73 18.319 8.678 7.777 1772 2HB GLU 73 2HB GLU 73 17.281 7.982 6.531 1773 1HG GLU 73 1HG GLU 73 18.484 6.214 7.689 1774 2HG GLU 73 2HG GLU 73 18.920 6.271 5.979 1775 H THR 74 H THR 74 18.730 11.379 6.931 1776 HA THR 74 HA THR 74 16.233 12.242 5.934 1777 HB THR 74 HB THR 74 17.413 14.553 6.703 1778 HG1 THR 74 HG1 THR 74 19.441 13.503 7.006 1779 1HG2 THR 74 1HG2 THR 74 16.627 14.024 8.983 1780 2HG2 THR 74 2HG2 THR 74 15.447 13.505 7.768 1781 3HG2 THR 74 3HG2 THR 74 16.497 12.302 8.551 1782 H GLU 75 H GLU 75 19.430 12.368 4.368 1783 HA GLU 75 HA GLU 75 19.058 14.519 2.595 1784 1HB GLU 75 1HB GLU 75 20.256 11.759 2.083 1785 2HB GLU 75 2HB GLU 75 20.390 13.114 0.971 1786 1HG GLU 75 1HG GLU 75 21.655 14.440 2.542 1787 2HG GLU 75 2HG GLU 75 21.384 13.279 3.843 1788 H PHE 76 H PHE 76 17.775 11.211 2.465 1789 HA PHE 76 HA PHE 76 16.278 11.774 -0.024 1790 1HB PHE 76 1HB PHE 76 15.999 9.185 1.462 1791 2HB PHE 76 2HB PHE 76 16.039 9.504 -0.260 1792 HD1 PHE 76 HD1 PHE 76 18.326 9.953 -1.374 1793 HD2 PHE 76 HD2 PHE 76 17.961 8.666 2.720 1794 HE1 PHE 76 HE1 PHE 76 20.756 9.533 -1.281 1795 HE2 PHE 76 HE2 PHE 76 20.428 8.585 2.900 1796 HZ PHE 76 HZ PHE 76 21.817 8.835 0.858 1797 H LEU 77 H LEU 77 15.665 10.620 3.338 1798 HA LEU 77 HA LEU 77 12.868 10.485 3.020 1799 1HB LEU 77 1HB LEU 77 14.458 10.847 5.579 1800 2HB LEU 77 2HB LEU 77 12.767 10.356 5.489 1801 HG LEU 77 HG LEU 77 15.109 8.764 4.339 1802 1HD1 LEU 77 1HD1 LEU 77 14.695 7.232 6.194 1803 2HD1 LEU 77 2HD1 LEU 77 15.043 8.853 6.824 1804 3HD1 LEU 77 3HD1 LEU 77 13.371 8.258 6.787 1805 1HD2 LEU 77 1HD2 LEU 77 12.131 8.129 4.512 1806 2HD2 LEU 77 2HD2 LEU 77 13.110 8.279 3.032 1807 3HD2 LEU 77 3HD2 LEU 77 13.398 6.943 4.145 1808 H ARG 78 H ARG 78 14.807 13.370 3.688 1809 HA ARG 78 HA ARG 78 12.788 14.932 4.816 1810 1HB ARG 78 1HB ARG 78 13.983 16.854 4.181 1811 2HB ARG 78 2HB ARG 78 15.101 15.618 4.680 1812 1HG ARG 78 1HG ARG 78 16.139 16.621 2.854 1813 2HG ARG 78 2HG ARG 78 15.535 15.102 2.199 1814 1HD ARG 78 1HD ARG 78 15.308 17.196 0.754 1815 2HD ARG 78 2HD ARG 78 13.884 16.184 0.915 1816 HE ARG 78 HE ARG 78 14.162 18.431 2.824 1817 1HH1 ARG 78 1HH1 ARG 78 12.781 17.491 -0.320 1818 2HH1 ARG 78 2HH1 ARG 78 11.358 18.506 -0.083 1819 1HH2 ARG 78 2HH2 ARG 78 12.235 19.710 3.048 1820 2HH2 ARG 78 1HH2 ARG 78 11.065 19.690 1.731 1821 H LEU 79 H LEU 79 12.899 13.682 1.516 1822 HA LEU 79 HA LEU 79 11.269 15.622 0.318 1823 1HB LEU 79 1HB LEU 79 10.978 14.281 -1.416 1824 2HB LEU 79 2HB LEU 79 12.420 13.538 -0.737 1825 HG LEU 79 HG LEU 79 9.547 12.520 -0.373 1826 1HD1 LEU 79 1HD1 LEU 79 10.263 12.463 -2.722 1827 2HD1 LEU 79 2HD1 LEU 79 11.742 11.600 -2.258 1828 3HD1 LEU 79 3HD1 LEU 79 10.150 10.837 -2.032 1829 1HD2 LEU 79 1HD2 LEU 79 10.491 10.482 0.458 1830 2HD2 LEU 79 2HD2 LEU 79 12.141 10.990 0.069 1831 3HD2 LEU 79 3HD2 LEU 79 11.257 11.770 1.395 1832 H LYS 80 H LYS 80 10.371 13.184 2.702 1833 HA LYS 80 HA LYS 80 7.538 13.251 2.383 1834 1HB LYS 80 1HB LYS 80 9.267 12.931 4.866 1835 2HB LYS 80 2HB LYS 80 7.524 12.667 4.823 1836 1HG LYS 80 1HG LYS 80 9.565 11.078 3.197 1837 2HG LYS 80 2HG LYS 80 8.818 10.588 4.718 1838 1HD LYS 80 1HD LYS 80 6.534 10.832 3.559 1839 2HD LYS 80 2HD LYS 80 7.421 11.038 2.040 1840 1HE LYS 80 1HE LYS 80 6.722 8.745 2.208 1841 2HE LYS 80 2HE LYS 80 8.485 8.799 2.373 1842 1HZ LYS 80 1HZ LYS 80 6.563 8.613 4.597 1843 2HZ LYS 80 2HZ LYS 80 7.406 7.348 3.971 1844 3HZ LYS 80 3HZ LYS 80 8.204 8.572 4.731 1845 H ARG 81 H ARG 81 9.813 15.501 3.959 1846 HA ARG 81 HA ARG 81 7.884 17.002 5.441 1847 1HB ARG 81 1HB ARG 81 10.513 17.982 4.261 1848 2HB ARG 81 2HB ARG 81 9.597 18.738 5.554 1849 1HG ARG 81 1HG ARG 81 10.865 15.959 5.722 1850 2HG ARG 81 2HG ARG 81 11.609 17.440 6.315 1851 1HD ARG 81 1HD ARG 81 8.980 16.273 7.321 1852 2HD ARG 81 2HD ARG 81 10.562 16.125 8.107 1853 HE ARG 81 HE ARG 81 10.127 18.866 7.701 1854 1HH1 ARG 81 2HH1 ARG 81 8.706 16.230 9.565 1855 2HH1 ARG 81 1HH1 ARG 81 8.166 17.245 10.875 1856 1HH2 ARG 81 2HH2 ARG 81 9.378 20.226 9.369 1857 2HH2 ARG 81 1HH2 ARG 81 8.539 19.570 10.745 1858 H THR 82 H THR 82 9.293 17.490 2.149 1859 HA THR 82 HA THR 82 7.592 19.718 1.501 1860 HB THR 82 HB THR 82 9.058 17.682 -0.229 1861 HG1 THR 82 HG1 THR 82 9.595 20.413 0.294 1862 1HG2 THR 82 1HG2 THR 82 7.300 18.615 -1.620 1863 2HG2 THR 82 2HG2 THR 82 7.645 20.263 -1.044 1864 3HG2 THR 82 3HG2 THR 82 8.829 19.392 -2.046 1865 H ARG 83 H ARG 83 7.294 16.185 0.809 1866 HA ARG 83 HA ARG 83 5.065 16.386 -0.854 1867 1HB ARG 83 1HB ARG 83 6.111 14.159 0.892 1868 2HB ARG 83 2HB ARG 83 4.760 13.944 -0.216 1869 1HG ARG 83 1HG ARG 83 7.221 15.215 -1.376 1870 2HG ARG 83 2HG ARG 83 7.341 13.509 -0.943 1871 1HD ARG 83 1HD ARG 83 5.000 14.535 -2.583 1872 2HD ARG 83 2HD ARG 83 6.519 14.125 -3.352 1873 HE ARG 83 HE ARG 83 4.580 12.286 -2.122 1874 1HH1 ARG 83 1HH2 ARG 83 7.898 12.647 -3.296 1875 2HH1 ARG 83 2HH2 ARG 83 8.161 10.956 -3.598 1876 1HH2 ARG 83 2HH1 ARG 83 4.938 9.992 -2.359 1877 2HH2 ARG 83 1HH1 ARG 83 6.471 9.468 -3.004 1878 H LEU 84 H LEU 84 5.146 16.014 2.734 1879 HA LEU 84 HA LEU 84 2.166 16.160 2.796 1880 1HB LEU 84 1HB LEU 84 4.277 15.949 4.981 1881 2HB LEU 84 2HB LEU 84 2.555 16.214 5.258 1882 HG LEU 84 HG LEU 84 2.122 14.093 3.863 1883 1HD1 LEU 84 1HD1 LEU 84 4.384 13.716 2.925 1884 2HD1 LEU 84 2HD1 LEU 84 5.047 13.600 4.572 1885 3HD1 LEU 84 3HD1 LEU 84 3.907 12.382 3.973 1886 1HD2 LEU 84 1HD2 LEU 84 2.422 12.676 5.858 1887 2HD2 LEU 84 2HD2 LEU 84 3.489 13.903 6.578 1888 3HD2 LEU 84 3HD2 LEU 84 1.771 14.263 6.290 1889 H GLY 85 H GLY 85 5.029 18.212 3.533 1890 1HA GLY 85 1HA GLY 85 3.775 20.219 4.947 1891 2HA GLY 85 2HA GLY 85 5.248 20.424 3.995 1892 H LEU 86 H LEU 86 3.999 19.880 1.371 1893 HA LEU 86 HA LEU 86 3.115 22.474 0.726 1894 1HB LEU 86 1HB LEU 86 3.897 20.877 -0.967 1895 2HB LEU 86 2HB LEU 86 2.475 19.859 -0.681 1896 HG LEU 86 HG LEU 86 0.990 21.643 -1.501 1897 1HD1 LEU 86 1HD1 LEU 86 3.560 23.207 -2.017 1898 2HD1 LEU 86 2HD1 LEU 86 1.968 23.624 -2.681 1899 3HD1 LEU 86 3HD1 LEU 86 2.229 23.689 -0.939 1900 1HD2 LEU 86 1HD2 LEU 86 3.227 21.150 -3.482 1901 2HD2 LEU 86 2HD2 LEU 86 1.940 19.984 -3.083 1902 3HD2 LEU 86 3HD2 LEU 86 1.533 21.528 -3.841 1903 H GLU 87 H GLU 87 1.289 19.740 2.057 1904 HA GLU 87 HA GLU 87 -1.282 21.212 1.741 1905 1HB GLU 87 1HB GLU 87 -1.185 18.917 0.912 1906 2HB GLU 87 2HB GLU 87 -0.717 18.317 2.509 1907 1HG GLU 87 1HG GLU 87 -2.850 18.865 3.447 1908 2HG GLU 87 2HG GLU 87 -3.258 19.947 2.107 Start of MODEL 12 1 1H SER 1 1H SER 1 9.350 3.481 -12.383 2 2H SER 1 2H SER 1 10.268 3.712 -13.718 3 3H SER 1 3H SER 1 9.609 2.227 -13.430 4 HA SER 1 HA SER 1 8.161 4.707 -13.986 5 1HB SER 1 1HB SER 1 8.500 2.316 -15.850 6 2HB SER 1 2HB SER 1 7.634 3.835 -16.177 7 HG SER 1 HG SER 1 10.419 3.513 -15.680 8 H GLU 2 H GLU 2 7.773 1.170 -14.023 9 HA GLU 2 HA GLU 2 5.024 1.111 -14.198 10 1HB GLU 2 1HB GLU 2 6.639 -0.948 -12.628 11 2HB GLU 2 2HB GLU 2 5.100 -1.179 -13.463 12 1HG GLU 2 1HG GLU 2 7.840 -0.730 -14.722 13 2HG GLU 2 2HG GLU 2 6.820 -2.157 -14.813 14 H LEU 3 H LEU 3 6.879 0.892 -11.149 15 HA LEU 3 HA LEU 3 4.660 0.809 -9.393 16 1HB LEU 3 1HB LEU 3 7.382 2.081 -8.886 17 2HB LEU 3 2HB LEU 3 6.211 1.554 -7.658 18 HG LEU 3 HG LEU 3 7.721 -0.245 -9.614 19 1HD1 LEU 3 1HD1 LEU 3 8.875 -1.032 -7.618 20 2HD1 LEU 3 2HD1 LEU 3 9.096 0.716 -7.796 21 3HD1 LEU 3 3HD1 LEU 3 7.947 0.085 -6.597 22 1HD2 LEU 3 1HD2 LEU 3 5.725 -0.961 -7.419 23 2HD2 LEU 3 2HD2 LEU 3 6.781 -2.118 -8.257 24 3HD2 LEU 3 3HD2 LEU 3 5.535 -1.261 -9.164 25 H GLU 4 H GLU 4 6.481 3.635 -10.644 26 HA GLU 4 HA GLU 4 5.071 5.614 -9.160 27 1HB GLU 4 1HB GLU 4 6.474 5.808 -11.856 28 2HB GLU 4 2HB GLU 4 5.979 7.175 -10.850 29 1HG GLU 4 1HG GLU 4 7.443 6.424 -9.025 30 2HG GLU 4 2HG GLU 4 7.932 5.002 -9.949 31 H LYS 5 H LYS 5 4.517 4.181 -12.356 32 HA LYS 5 HA LYS 5 2.380 5.856 -13.220 33 1HB LYS 5 1HB LYS 5 3.764 4.322 -14.620 34 2HB LYS 5 2HB LYS 5 2.888 2.942 -13.961 35 1HG LYS 5 1HG LYS 5 1.675 5.252 -15.558 36 2HG LYS 5 2HG LYS 5 2.119 3.660 -16.181 37 1HD LYS 5 1HD LYS 5 0.474 2.678 -14.438 38 2HD LYS 5 2HD LYS 5 -0.140 4.341 -14.266 39 1HE LYS 5 1HE LYS 5 -0.623 4.434 -16.685 40 2HE LYS 5 2HE LYS 5 -0.008 2.781 -16.880 41 1HZ LYS 5 1HZ LYS 5 -2.364 2.802 -16.708 42 2HZ LYS 5 2HZ LYS 5 -1.730 2.036 -15.396 43 3HZ LYS 5 3HZ LYS 5 -2.329 3.565 -15.253 44 H ALA 6 H ALA 6 2.412 2.598 -11.736 45 HA ALA 6 HA ALA 6 -0.336 2.209 -11.332 46 1HB ALA 6 1HB ALA 6 1.336 0.467 -11.009 47 2HB ALA 6 2HB ALA 6 2.071 1.352 -9.665 48 3HB ALA 6 3HB ALA 6 0.440 0.681 -9.488 49 H VAL 7 H VAL 7 2.048 3.651 -9.079 50 HA VAL 7 HA VAL 7 0.308 4.345 -7.001 51 HB VAL 7 HB VAL 7 2.990 5.333 -7.982 52 1HG1 VAL 7 1HG1 VAL 7 3.242 6.527 -5.838 53 2HG1 VAL 7 2HG1 VAL 7 2.145 7.319 -6.987 54 3HG1 VAL 7 3HG1 VAL 7 1.489 6.416 -5.601 55 1HG2 VAL 7 1HG2 VAL 7 2.758 3.076 -6.885 56 2HG2 VAL 7 2HG2 VAL 7 3.754 4.196 -5.940 57 3HG2 VAL 7 3HG2 VAL 7 2.071 3.868 -5.471 58 H VAL 8 H VAL 8 1.311 6.517 -9.775 59 HA VAL 8 HA VAL 8 -0.448 8.581 -8.808 60 HB VAL 8 HB VAL 8 -0.231 9.701 -10.901 61 1HG1 VAL 8 1HG1 VAL 8 2.169 10.117 -10.832 62 2HG1 VAL 8 2HG1 VAL 8 1.522 9.926 -9.193 63 3HG1 VAL 8 3HG1 VAL 8 2.439 8.604 -9.949 64 1HG2 VAL 8 1HG2 VAL 8 1.386 7.358 -11.920 65 2HG2 VAL 8 2HG2 VAL 8 -0.231 7.806 -12.498 66 3HG2 VAL 8 3HG2 VAL 8 1.137 8.901 -12.744 67 H ALA 9 H ALA 9 -1.004 5.781 -10.962 68 HA ALA 9 HA ALA 9 -3.625 6.558 -11.767 69 1HB ALA 9 1HB ALA 9 -2.601 3.723 -11.341 70 2HB ALA 9 2HB ALA 9 -4.012 4.238 -12.272 71 3HB ALA 9 3HB ALA 9 -2.386 4.700 -12.809 72 H LEU 10 H LEU 10 -2.520 4.683 -8.870 73 HA LEU 10 HA LEU 10 -5.093 4.204 -7.751 74 1HB LEU 10 1HB LEU 10 -2.449 4.778 -6.327 75 2HB LEU 10 2HB LEU 10 -3.897 4.160 -5.558 76 HG LEU 10 HG LEU 10 -2.241 2.690 -7.640 77 1HD1 LEU 10 1HD1 LEU 10 -1.634 1.243 -5.779 78 2HD1 LEU 10 2HD1 LEU 10 -1.205 2.919 -5.389 79 3HD1 LEU 10 3HD1 LEU 10 -2.659 2.182 -4.676 80 1HD2 LEU 10 1HD2 LEU 10 -3.659 0.732 -7.024 81 2HD2 LEU 10 2HD2 LEU 10 -4.743 1.834 -6.150 82 3HD2 LEU 10 3HD2 LEU 10 -4.525 1.986 -7.918 83 H ILE 11 H ILE 11 -2.842 6.954 -7.250 84 HA ILE 11 HA ILE 11 -4.552 8.379 -5.464 85 HB ILE 11 HB ILE 11 -2.363 9.340 -7.342 86 1HG1 ILE 11 1HG1 ILE 11 -2.337 8.889 -4.322 87 2HG1 ILE 11 2HG1 ILE 11 -1.821 7.653 -5.470 88 1HG2 ILE 11 1HG2 ILE 11 -3.842 11.251 -6.739 89 2HG2 ILE 11 2HG2 ILE 11 -3.695 10.813 -5.023 90 3HG2 ILE 11 3HG2 ILE 11 -2.290 11.388 -5.939 91 1HD1 ILE 11 1HD1 ILE 11 -0.542 10.371 -5.107 92 2HD1 ILE 11 2HD1 ILE 11 0.121 8.789 -4.678 93 3HD1 ILE 11 3HD1 ILE 11 -0.115 9.205 -6.386 94 H ASP 12 H ASP 12 -4.120 8.743 -9.023 95 HA ASP 12 HA ASP 12 -5.921 10.877 -9.356 96 1HB ASP 12 1HB ASP 12 -4.314 10.212 -11.071 97 2HB ASP 12 2HB ASP 12 -5.138 8.661 -11.295 98 H VAL 13 H VAL 13 -6.512 7.347 -9.754 99 HA VAL 13 HA VAL 13 -9.287 7.533 -10.356 100 HB VAL 13 HB VAL 13 -7.605 5.362 -9.035 101 1HG1 VAL 13 1HG1 VAL 13 -10.493 5.224 -9.990 102 2HG1 VAL 13 2HG1 VAL 13 -9.492 3.823 -9.558 103 3HG1 VAL 13 3HG1 VAL 13 -9.921 5.011 -8.323 104 1HG2 VAL 13 1HG2 VAL 13 -7.140 5.946 -11.467 105 2HG2 VAL 13 2HG2 VAL 13 -7.725 4.297 -11.207 106 3HG2 VAL 13 3HG2 VAL 13 -8.826 5.543 -11.829 107 H PHE 14 H PHE 14 -7.591 7.063 -7.187 108 HA PHE 14 HA PHE 14 -9.913 6.973 -5.622 109 1HB PHE 14 1HB PHE 14 -7.667 6.440 -4.793 110 2HB PHE 14 2HB PHE 14 -7.198 8.136 -4.893 111 HD1 PHE 14 HD1 PHE 14 -9.352 5.687 -3.136 112 HD2 PHE 14 HD2 PHE 14 -8.075 9.802 -3.283 113 HE1 PHE 14 HE1 PHE 14 -10.275 6.070 -0.852 114 HE2 PHE 14 HE2 PHE 14 -9.154 10.206 -1.122 115 HZ PHE 14 HZ PHE 14 -10.206 8.332 0.144 116 H HIS 15 H HIS 15 -7.958 9.878 -6.468 117 HA HIS 15 HA HIS 15 -9.525 11.839 -5.171 118 1HB HIS 15 1HB HIS 15 -7.759 11.823 -7.644 119 2HB HIS 15 2HB HIS 15 -8.710 13.246 -7.260 120 HD1 HIS 15 HD1 HIS 15 -7.045 14.942 -6.347 121 HD2 HIS 15 HD2 HIS 15 -6.530 11.050 -4.819 122 HE1 HIS 15 HE1 HIS 15 -5.167 15.068 -4.651 123 H GLN 16 H GLN 16 -9.770 10.595 -8.543 124 HA GLN 16 HA GLN 16 -11.865 12.206 -9.395 125 1HB GLN 16 1HB GLN 16 -10.539 10.784 -10.854 126 2HB GLN 16 2HB GLN 16 -11.277 9.318 -10.208 127 1HG GLN 16 1HG GLN 16 -13.041 11.477 -11.424 128 2HG GLN 16 2HG GLN 16 -12.093 10.416 -12.462 129 1HE2 GLN 16 1HE2 GLN 16 -14.734 10.373 -10.007 130 2HE2 GLN 16 2HE2 GLN 16 -15.347 8.816 -10.543 131 H TYR 17 H TYR 17 -12.118 9.015 -7.745 132 HA TYR 17 HA TYR 17 -15.040 9.046 -7.839 133 1HB TYR 17 1HB TYR 17 -12.961 7.311 -6.500 134 2HB TYR 17 2HB TYR 17 -14.668 7.136 -6.121 135 HD1 TYR 17 HD1 TYR 17 -15.982 5.666 -7.340 136 HD2 TYR 17 HD2 TYR 17 -12.513 7.388 -9.237 137 HE1 TYR 17 HE1 TYR 17 -16.140 4.024 -9.172 138 HE2 TYR 17 HE2 TYR 17 -12.679 5.751 -11.050 139 HH TYR 17 HH TYR 17 -13.450 3.617 -11.443 140 H SER 18 H SER 18 -12.636 9.542 -5.241 141 HA SER 18 HA SER 18 -14.442 9.938 -3.131 142 1HB SER 18 1HB SER 18 -11.650 11.111 -3.497 143 2HB SER 18 2HB SER 18 -12.486 10.828 -1.965 144 HG SER 18 HG SER 18 -11.379 8.974 -3.693 145 H GLY 19 H GLY 19 -13.332 12.259 -5.611 146 1HA GLY 19 1HA GLY 19 -14.184 14.627 -4.260 147 2HA GLY 19 2HA GLY 19 -13.945 14.416 -6.005 148 H ARG 20 H ARG 20 -16.008 12.059 -5.864 149 HA ARG 20 HA ARG 20 -18.158 13.831 -6.707 150 1HB ARG 20 1HB ARG 20 -18.232 10.806 -6.590 151 2HB ARG 20 2HB ARG 20 -19.201 11.910 -7.581 152 1HG ARG 20 1HG ARG 20 -16.849 12.682 -8.552 153 2HG ARG 20 2HG ARG 20 -16.266 11.216 -7.805 154 1HD ARG 20 1HD ARG 20 -18.575 11.161 -9.765 155 2HD ARG 20 2HD ARG 20 -16.878 10.890 -10.197 156 HE ARG 20 HE ARG 20 -17.737 9.271 -7.938 157 1HH1 ARG 20 1HH1 ARG 20 -17.758 9.319 -11.493 158 2HH1 ARG 20 2HH1 ARG 20 -17.883 7.581 -11.608 159 1HH2 ARG 20 2HH2 ARG 20 -17.931 7.116 -8.096 160 2HH2 ARG 20 1HH2 ARG 20 -17.989 6.294 -9.653 161 H GLU 21 H GLU 21 -17.796 11.270 -4.199 162 HA GLU 21 HA GLU 21 -19.784 12.714 -2.566 163 1HB GLU 21 1HB GLU 21 -20.093 9.744 -3.000 164 2HB GLU 21 2HB GLU 21 -21.071 10.819 -1.994 165 1HG GLU 21 1HG GLU 21 -21.857 12.020 -3.997 166 2HG GLU 21 2HG GLU 21 -20.930 10.920 -5.029 167 H GLY 22 H GLY 22 -18.440 13.304 -1.041 168 1HA GLY 22 1HA GLY 22 -17.953 12.186 1.218 169 2HA GLY 22 2HA GLY 22 -16.635 11.383 0.339 170 H ASP 23 H ASP 23 -15.013 12.732 -0.692 171 HA ASP 23 HA ASP 23 -14.784 15.514 -0.703 172 1HB ASP 23 1HB ASP 23 -14.653 15.575 1.740 173 2HB ASP 23 2HB ASP 23 -13.599 14.155 1.773 174 H LYS 24 H LYS 24 -12.408 15.972 -1.388 175 HA LYS 24 HA LYS 24 -11.408 14.154 -3.211 176 1HB LYS 24 1HB LYS 24 -9.680 15.976 -1.495 177 2HB LYS 24 2HB LYS 24 -9.299 15.367 -3.099 178 1HG LYS 24 1HG LYS 24 -11.376 17.445 -2.326 179 2HG LYS 24 2HG LYS 24 -9.919 17.674 -3.267 180 1HD LYS 24 1HD LYS 24 -12.373 16.087 -4.190 181 2HD LYS 24 2HD LYS 24 -11.977 17.745 -4.609 182 1HE LYS 24 1HE LYS 24 -11.271 16.567 -6.478 183 2HE LYS 24 2HE LYS 24 -9.769 16.871 -5.595 184 1HZ LYS 24 1HZ LYS 24 -9.937 14.644 -6.422 185 2HZ LYS 24 2HZ LYS 24 -9.920 14.602 -4.779 186 3HZ LYS 24 3HZ LYS 24 -11.329 14.364 -5.599 187 H HIS 25 H HIS 25 -10.822 14.136 0.286 188 HA HIS 25 HA HIS 25 -8.825 11.976 0.112 189 1HB HIS 25 1HB HIS 25 -9.970 13.397 2.519 190 2HB HIS 25 2HB HIS 25 -8.545 12.361 2.460 191 HD1 HIS 25 HD1 HIS 25 -9.702 15.864 1.438 192 HD2 HIS 25 HD2 HIS 25 -6.247 13.474 1.692 193 HE1 HIS 25 HE1 HIS 25 -7.691 17.430 1.115 194 H LYS 26 H LYS 26 -12.278 11.969 0.202 195 HA LYS 26 HA LYS 26 -12.386 9.547 1.950 196 1HB LYS 26 1HB LYS 26 -14.288 11.900 1.850 197 2HB LYS 26 2HB LYS 26 -14.529 10.458 2.806 198 1HG LYS 26 1HG LYS 26 -12.260 12.484 3.151 199 2HG LYS 26 2HG LYS 26 -13.719 12.374 4.129 200 1HD LYS 26 1HD LYS 26 -11.481 10.311 3.993 201 2HD LYS 26 2HD LYS 26 -11.869 11.392 5.332 202 1HE LYS 26 1HE LYS 26 -14.153 10.316 5.476 203 2HE LYS 26 2HE LYS 26 -13.606 9.114 4.283 204 1HZ LYS 26 1HZ LYS 26 -12.436 9.551 6.927 205 2HZ LYS 26 2HZ LYS 26 -13.395 8.289 6.439 206 3HZ LYS 26 3HZ LYS 26 -11.902 8.472 5.791 207 H LEU 27 H LEU 27 -13.651 7.877 1.277 208 HA LEU 27 HA LEU 27 -15.361 8.171 -1.184 209 1HB LEU 27 1HB LEU 27 -13.925 5.790 0.057 210 2HB LEU 27 2HB LEU 27 -15.145 5.624 -1.203 211 HG LEU 27 HG LEU 27 -12.547 7.121 -1.581 212 1HD1 LEU 27 1HD1 LEU 27 -11.852 5.069 -2.819 213 2HD1 LEU 27 2HD1 LEU 27 -12.197 4.688 -1.119 214 3HD1 LEU 27 3HD1 LEU 27 -13.383 4.292 -2.376 215 1HD2 LEU 27 1HD2 LEU 27 -14.432 7.705 -3.189 216 2HD2 LEU 27 2HD2 LEU 27 -13.069 6.900 -3.978 217 3HD2 LEU 27 3HD2 LEU 27 -14.542 5.987 -3.609 218 H LYS 28 H LYS 28 -17.558 8.089 -0.757 219 HA LYS 28 HA LYS 28 -18.670 6.936 1.676 220 1HB LYS 28 1HB LYS 28 -19.821 7.621 -1.051 221 2HB LYS 28 2HB LYS 28 -20.814 7.035 0.277 222 1HG LYS 28 1HG LYS 28 -19.048 9.328 0.967 223 2HG LYS 28 2HG LYS 28 -20.222 9.645 -0.300 224 1HD LYS 28 1HD LYS 28 -20.860 8.617 2.509 225 2HD LYS 28 2HD LYS 28 -21.062 10.273 1.939 226 1HE LYS 28 1HE LYS 28 -22.675 7.834 1.076 227 2HE LYS 28 2HE LYS 28 -23.212 9.257 1.961 228 1HZ LYS 28 1HZ LYS 28 -22.305 9.211 -0.831 229 2HZ LYS 28 2HZ LYS 28 -23.853 9.387 -0.303 230 3HZ LYS 28 3HZ LYS 28 -22.745 10.567 0.002 231 H LYS 29 H LYS 29 -20.290 5.095 1.535 232 HA LYS 29 HA LYS 29 -19.196 2.670 0.544 233 1HB LYS 29 1HB LYS 29 -21.441 1.714 0.898 234 2HB LYS 29 2HB LYS 29 -20.819 2.547 2.305 235 1HG LYS 29 1HG LYS 29 -22.287 4.484 1.864 236 2HG LYS 29 2HG LYS 29 -22.834 3.748 0.342 237 1HD LYS 29 1HD LYS 29 -23.768 1.835 1.577 238 2HD LYS 29 2HD LYS 29 -23.235 2.545 3.115 239 1HE LYS 29 1HE LYS 29 -24.685 4.501 2.750 240 2HE LYS 29 2HE LYS 29 -25.154 3.896 1.147 241 1HZ LYS 29 1HZ LYS 29 -25.703 2.511 3.672 242 2HZ LYS 29 2HZ LYS 29 -26.779 3.440 2.837 243 3HZ LYS 29 3HZ LYS 29 -26.202 2.057 2.160 244 H SER 30 H SER 30 -21.353 5.026 -1.088 245 HA SER 30 HA SER 30 -22.060 3.365 -3.297 246 1HB SER 30 1HB SER 30 -22.336 5.783 -4.298 247 2HB SER 30 2HB SER 30 -23.349 5.318 -2.918 248 HG SER 30 HG SER 30 -22.144 7.403 -2.769 249 H GLU 31 H GLU 31 -19.528 5.885 -2.810 250 HA GLU 31 HA GLU 31 -18.390 5.533 -5.412 251 1HB GLU 31 1HB GLU 31 -17.041 6.621 -2.896 252 2HB GLU 31 2HB GLU 31 -16.509 6.853 -4.569 253 1HG GLU 31 1HG GLU 31 -19.106 7.853 -3.361 254 2HG GLU 31 2HG GLU 31 -17.713 8.858 -3.774 255 H LEU 32 H LEU 32 -17.425 4.220 -2.224 256 HA LEU 32 HA LEU 32 -15.191 2.748 -3.061 257 1HB LEU 32 1HB LEU 32 -15.804 3.271 -0.750 258 2HB LEU 32 2HB LEU 32 -17.217 2.207 -0.842 259 HG LEU 32 HG LEU 32 -15.219 1.387 0.423 260 1HD1 LEU 32 1HD1 LEU 32 -15.437 -0.904 -0.205 261 2HD1 LEU 32 2HD1 LEU 32 -17.018 -0.134 -0.419 262 3HD1 LEU 32 3HD1 LEU 32 -16.003 -0.497 -1.826 263 1HD2 LEU 32 1HD2 LEU 32 -13.933 0.940 -2.293 264 2HD2 LEU 32 2HD2 LEU 32 -13.447 2.166 -1.100 265 3HD2 LEU 32 3HD2 LEU 32 -13.307 0.444 -0.713 266 H LYS 33 H LYS 33 -18.659 1.737 -2.847 267 HA LYS 33 HA LYS 33 -18.357 -0.900 -3.767 268 1HB LYS 33 1HB LYS 33 -20.432 -0.180 -2.889 269 2HB LYS 33 2HB LYS 33 -20.593 1.144 -4.037 270 1HG LYS 33 1HG LYS 33 -20.933 -0.444 -5.893 271 2HG LYS 33 2HG LYS 33 -20.686 -1.803 -4.777 272 1HD LYS 33 1HD LYS 33 -22.740 -1.224 -3.570 273 2HD LYS 33 2HD LYS 33 -22.873 0.301 -4.449 274 1HE LYS 33 1HE LYS 33 -24.433 -1.478 -5.273 275 2HE LYS 33 2HE LYS 33 -23.368 -0.823 -6.527 276 1HZ LYS 33 1HZ LYS 33 -21.996 -2.732 -6.323 277 2HZ LYS 33 2HZ LYS 33 -22.900 -3.353 -5.092 278 3HZ LYS 33 3HZ LYS 33 -23.544 -3.207 -6.603 279 H GLU 34 H GLU 34 -19.190 2.023 -5.743 280 HA GLU 34 HA GLU 34 -19.198 0.581 -8.181 281 1HB GLU 34 1HB GLU 34 -20.192 2.828 -7.965 282 2HB GLU 34 2HB GLU 34 -18.602 3.546 -7.647 283 1HG GLU 34 1HG GLU 34 -17.820 2.898 -9.888 284 2HG GLU 34 2HG GLU 34 -19.363 2.096 -10.225 285 H LEU 35 H LEU 35 -16.614 2.452 -6.635 286 HA LEU 35 HA LEU 35 -14.544 2.197 -8.487 287 1HB LEU 35 1HB LEU 35 -14.583 3.632 -6.605 288 2HB LEU 35 2HB LEU 35 -14.682 2.302 -5.460 289 HG LEU 35 HG LEU 35 -12.546 3.425 -5.434 290 1HD1 LEU 35 1HD1 LEU 35 -12.101 0.573 -6.373 291 2HD1 LEU 35 2HD1 LEU 35 -11.196 1.494 -5.181 292 3HD1 LEU 35 3HD1 LEU 35 -12.838 0.998 -4.811 293 1HD2 LEU 35 1HD2 LEU 35 -11.994 2.303 -8.205 294 2HD2 LEU 35 2HD2 LEU 35 -12.437 3.990 -7.862 295 3HD2 LEU 35 3HD2 LEU 35 -10.944 3.327 -7.188 296 H ILE 36 H ILE 36 -15.286 -0.109 -5.750 297 HA ILE 36 HA ILE 36 -13.232 -1.913 -6.609 298 HB ILE 36 HB ILE 36 -15.682 -2.456 -4.898 299 1HG1 ILE 36 1HG1 ILE 36 -12.733 -1.941 -4.228 300 2HG1 ILE 36 2HG1 ILE 36 -14.058 -0.814 -3.960 301 1HG2 ILE 36 1HG2 ILE 36 -14.768 -4.557 -5.958 302 2HG2 ILE 36 2HG2 ILE 36 -13.168 -4.125 -5.340 303 3HG2 ILE 36 3HG2 ILE 36 -14.483 -4.522 -4.225 304 1HD1 ILE 36 1HD1 ILE 36 -13.606 -1.822 -1.860 305 2HD1 ILE 36 2HD1 ILE 36 -15.126 -2.546 -2.436 306 3HD1 ILE 36 3HD1 ILE 36 -13.603 -3.451 -2.530 307 H ASN 37 H ASN 37 -16.772 -1.968 -7.228 308 HA ASN 37 HA ASN 37 -16.869 -4.396 -8.691 309 1HB ASN 37 1HB ASN 37 -18.523 -1.845 -8.950 310 2HB ASN 37 2HB ASN 37 -18.809 -3.281 -9.953 311 1HD2 ASN 37 2HD2 ASN 37 -18.633 -2.261 -6.523 312 2HD2 ASN 37 1HD2 ASN 37 -19.871 -3.390 -5.995 313 H ASN 38 H ASN 38 -16.251 -1.098 -9.828 314 HA ASN 38 HA ASN 38 -16.144 -1.779 -12.617 315 1HB ASN 38 1HB ASN 38 -16.910 0.381 -11.663 316 2HB ASN 38 2HB ASN 38 -15.257 0.703 -11.090 317 1HD2 ASN 38 1HD2 ASN 38 -15.252 2.675 -12.310 318 2HD2 ASN 38 2HD2 ASN 38 -15.100 2.635 -14.067 319 H GLU 39 H GLU 39 -13.657 -1.258 -10.069 320 HA GLU 39 HA GLU 39 -11.590 -1.686 -12.163 321 1HB GLU 39 1HB GLU 39 -11.341 -0.034 -9.658 322 2HB GLU 39 2HB GLU 39 -10.156 -0.254 -10.964 323 1HG GLU 39 1HG GLU 39 -12.071 0.600 -12.554 324 2HG GLU 39 2HG GLU 39 -12.860 1.142 -11.068 325 H LEU 40 H LEU 40 -12.816 -3.452 -9.620 326 HA LEU 40 HA LEU 40 -10.219 -4.943 -9.449 327 1HB LEU 40 1HB LEU 40 -11.529 -3.747 -7.362 328 2HB LEU 40 2HB LEU 40 -12.391 -5.275 -7.424 329 HG LEU 40 HG LEU 40 -10.095 -6.409 -7.249 330 1HD1 LEU 40 1HD1 LEU 40 -9.217 -3.563 -6.565 331 2HD1 LEU 40 2HD1 LEU 40 -8.261 -5.030 -6.304 332 3HD1 LEU 40 3HD1 LEU 40 -8.633 -4.506 -7.954 333 1HD2 LEU 40 1HD2 LEU 40 -10.845 -4.490 -5.016 334 2HD2 LEU 40 2HD2 LEU 40 -11.686 -6.005 -5.354 335 3HD2 LEU 40 3HD2 LEU 40 -9.996 -6.037 -4.830 336 H SER 41 H SER 41 -12.798 -5.013 -11.298 337 HA SER 41 HA SER 41 -14.482 -7.000 -10.851 338 1HB SER 41 1HB SER 41 -13.346 -6.574 -13.625 339 2HB SER 41 2HB SER 41 -15.038 -6.740 -13.120 340 HG SER 41 HG SER 41 -14.894 -4.665 -12.211 341 H HIS 42 H HIS 42 -11.258 -7.463 -12.315 342 HA HIS 42 HA HIS 42 -11.588 -10.150 -13.165 343 1HB HIS 42 1HB HIS 42 -9.750 -8.539 -13.787 344 2HB HIS 42 2HB HIS 42 -9.040 -8.808 -12.186 345 HD1 HIS 42 HD1 HIS 42 -9.639 -12.127 -12.469 346 HD2 HIS 42 HD2 HIS 42 -7.518 -9.476 -14.962 347 HE1 HIS 42 HE1 HIS 42 -7.976 -13.540 -13.805 348 H PHE 43 H PHE 43 -10.927 -8.744 -9.995 349 HA PHE 43 HA PHE 43 -10.145 -11.364 -8.810 350 1HB PHE 43 1HB PHE 43 -10.047 -8.483 -7.888 351 2HB PHE 43 2HB PHE 43 -9.843 -9.827 -6.793 352 HD1 PHE 43 HD1 PHE 43 -8.306 -10.155 -10.179 353 HD2 PHE 43 HD2 PHE 43 -7.728 -8.891 -6.089 354 HE1 PHE 43 HE1 PHE 43 -5.882 -10.041 -10.553 355 HE2 PHE 43 HE2 PHE 43 -5.277 -8.876 -6.451 356 HZ PHE 43 HZ PHE 43 -4.352 -9.455 -8.688 357 H LEU 44 H LEU 44 -12.468 -8.633 -8.281 358 HA LEU 44 HA LEU 44 -14.033 -10.455 -6.492 359 1HB LEU 44 1HB LEU 44 -13.558 -7.475 -6.499 360 2HB LEU 44 2HB LEU 44 -15.083 -8.124 -5.890 361 HG LEU 44 HG LEU 44 -13.878 -9.661 -4.389 362 1HD1 LEU 44 1HD1 LEU 44 -11.732 -9.951 -5.320 363 2HD1 LEU 44 2HD1 LEU 44 -11.423 -8.204 -5.421 364 3HD1 LEU 44 3HD1 LEU 44 -11.455 -9.027 -3.845 365 1HD2 LEU 44 1HD2 LEU 44 -13.219 -6.712 -3.964 366 2HD2 LEU 44 2HD2 LEU 44 -14.764 -7.484 -3.595 367 3HD2 LEU 44 3HD2 LEU 44 -13.303 -7.961 -2.711 368 H GLU 45 H GLU 45 -16.039 -10.960 -6.874 369 HA GLU 45 HA GLU 45 -17.272 -10.478 -9.445 370 1HB GLU 45 1HB GLU 45 -18.453 -11.551 -6.837 371 2HB GLU 45 2HB GLU 45 -19.210 -11.639 -8.435 372 1HG GLU 45 1HG GLU 45 -17.231 -12.982 -9.239 373 2HG GLU 45 2HG GLU 45 -16.630 -13.022 -7.572 374 H GLU 46 H GLU 46 -19.574 -9.586 -9.536 375 HA GLU 46 HA GLU 46 -19.589 -6.881 -8.762 376 1HB GLU 46 1HB GLU 46 -20.889 -7.771 -10.687 377 2HB GLU 46 2HB GLU 46 -21.890 -8.735 -9.579 378 1HG GLU 46 1HG GLU 46 -22.738 -6.630 -8.538 379 2HG GLU 46 2HG GLU 46 -21.771 -5.691 -9.691 380 H ILE 47 H ILE 47 -20.034 -5.935 -6.918 381 HA ILE 47 HA ILE 47 -20.841 -7.639 -4.644 382 HB ILE 47 HB ILE 47 -19.790 -4.825 -4.357 383 1HG1 ILE 47 1HG1 ILE 47 -18.155 -7.339 -4.898 384 2HG1 ILE 47 2HG1 ILE 47 -18.255 -5.919 -5.968 385 1HG2 ILE 47 1HG2 ILE 47 -20.671 -6.234 -2.405 386 2HG2 ILE 47 2HG2 ILE 47 -19.389 -7.403 -2.751 387 3HG2 ILE 47 3HG2 ILE 47 -18.971 -5.768 -2.233 388 1HD1 ILE 47 1HD1 ILE 47 -17.207 -4.525 -4.300 389 2HD1 ILE 47 2HD1 ILE 47 -16.971 -5.954 -3.244 390 3HD1 ILE 47 3HD1 ILE 47 -16.233 -5.910 -4.855 391 H LYS 48 H LYS 48 -22.898 -7.469 -6.029 392 HA LYS 48 HA LYS 48 -24.657 -5.286 -5.961 393 1HB LYS 48 1HB LYS 48 -26.440 -6.995 -6.234 394 2HB LYS 48 2HB LYS 48 -25.064 -7.216 -7.323 395 1HG LYS 48 1HG LYS 48 -24.167 -9.015 -5.806 396 2HG LYS 48 2HG LYS 48 -25.602 -8.812 -4.776 397 1HD LYS 48 1HD LYS 48 -27.059 -9.472 -6.607 398 2HD LYS 48 2HD LYS 48 -25.679 -9.549 -7.729 399 1HE LYS 48 1HE LYS 48 -24.644 -11.340 -6.350 400 2HE LYS 48 2HE LYS 48 -26.006 -11.265 -5.216 401 1HZ LYS 48 1HZ LYS 48 -26.186 -11.988 -8.056 402 2HZ LYS 48 2HZ LYS 48 -26.251 -13.033 -6.782 403 3HZ LYS 48 3HZ LYS 48 -27.448 -11.922 -6.997 404 H GLU 49 H GLU 49 -23.869 -7.583 -3.422 405 HA GLU 49 HA GLU 49 -26.040 -6.937 -1.652 406 1HB GLU 49 1HB GLU 49 -23.299 -8.115 -1.022 407 2HB GLU 49 2HB GLU 49 -24.744 -8.176 -0.003 408 1HG GLU 49 1HG GLU 49 -24.365 -9.549 -2.711 409 2HG GLU 49 2HG GLU 49 -24.351 -10.310 -1.126 410 H GLN 50 H GLN 50 -25.995 -4.580 -1.763 411 HA GLN 50 HA GLN 50 -23.993 -2.899 -0.967 412 1HB GLN 50 1HB GLN 50 -26.367 -2.376 -1.690 413 2HB GLN 50 2HB GLN 50 -26.839 -2.457 0.006 414 1HG GLN 50 1HG GLN 50 -24.491 -0.671 -0.746 415 2HG GLN 50 2HG GLN 50 -26.082 -0.213 -1.319 416 1HE2 GLN 50 1HE2 GLN 50 -24.542 -1.230 1.828 417 2HE2 GLN 50 2HE2 GLN 50 -25.505 -0.101 2.763 418 H GLU 51 H GLU 51 -25.815 -5.057 1.156 419 HA GLU 51 HA GLU 51 -25.009 -4.063 3.692 420 1HB GLU 51 1HB GLU 51 -25.391 -6.954 2.775 421 2HB GLU 51 2HB GLU 51 -25.342 -6.393 4.452 422 1HG GLU 51 1HG GLU 51 -27.369 -5.030 4.086 423 2HG GLU 51 2HG GLU 51 -27.450 -5.556 2.397 424 H VAL 52 H VAL 52 -23.336 -6.202 1.329 425 HA VAL 52 HA VAL 52 -21.115 -6.692 3.131 426 HB VAL 52 HB VAL 52 -21.367 -7.311 0.167 427 1HG1 VAL 52 1HG1 VAL 52 -19.510 -8.903 0.695 428 2HG1 VAL 52 2HG1 VAL 52 -19.025 -7.211 0.795 429 3HG1 VAL 52 3HG1 VAL 52 -19.334 -8.135 2.281 430 1HG2 VAL 52 1HG2 VAL 52 -23.040 -8.533 1.586 431 2HG2 VAL 52 2HG2 VAL 52 -21.790 -9.623 0.974 432 3HG2 VAL 52 3HG2 VAL 52 -21.730 -9.057 2.655 433 H VAL 53 H VAL 53 -21.720 -4.468 0.288 434 HA VAL 53 HA VAL 53 -19.090 -3.497 0.272 435 HB VAL 53 HB VAL 53 -19.657 -1.845 -1.056 436 1HG1 VAL 53 1HG1 VAL 53 -20.271 -3.955 -2.022 437 2HG1 VAL 53 2HG1 VAL 53 -21.969 -3.731 -1.552 438 3HG1 VAL 53 3HG1 VAL 53 -21.206 -2.635 -2.705 439 1HG2 VAL 53 1HG2 VAL 53 -21.857 -0.712 -1.320 440 2HG2 VAL 53 2HG2 VAL 53 -22.417 -1.548 0.111 441 3HG2 VAL 53 3HG2 VAL 53 -21.056 -0.425 0.224 442 H ASP 54 H ASP 54 -21.933 -2.367 2.133 443 HA ASP 54 HA ASP 54 -20.710 -0.351 3.649 444 1HB ASP 54 1HB ASP 54 -23.111 -0.730 3.623 445 2HB ASP 54 2HB ASP 54 -22.917 -2.272 4.474 446 H LYS 55 H LYS 55 -20.975 -3.905 4.374 447 HA LYS 55 HA LYS 55 -19.634 -3.786 6.832 448 1HB LYS 55 1HB LYS 55 -20.932 -5.692 6.029 449 2HB LYS 55 2HB LYS 55 -19.685 -6.097 4.844 450 1HG LYS 55 1HG LYS 55 -18.937 -5.889 7.774 451 2HG LYS 55 2HG LYS 55 -19.849 -7.289 7.198 452 1HD LYS 55 1HD LYS 55 -18.091 -7.808 5.533 453 2HD LYS 55 2HD LYS 55 -17.142 -6.420 6.073 454 1HE LYS 55 1HE LYS 55 -16.237 -8.387 7.099 455 2HE LYS 55 2HE LYS 55 -16.970 -7.374 8.347 456 1HZ LYS 55 1HZ LYS 55 -17.513 -9.687 8.601 457 2HZ LYS 55 2HZ LYS 55 -18.878 -8.819 8.304 458 3HZ LYS 55 3HZ LYS 55 -18.212 -9.741 7.111 459 H VAL 56 H VAL 56 -18.176 -4.422 3.551 460 HA VAL 56 HA VAL 56 -15.569 -4.753 4.700 461 HB VAL 56 HB VAL 56 -14.616 -4.653 2.525 462 1HG1 VAL 56 1HG1 VAL 56 -17.185 -6.288 2.503 463 2HG1 VAL 56 2HG1 VAL 56 -15.731 -6.577 1.535 464 3HG1 VAL 56 3HG1 VAL 56 -15.663 -6.744 3.297 465 1HG2 VAL 56 1HG2 VAL 56 -17.345 -3.891 1.485 466 2HG2 VAL 56 2HG2 VAL 56 -15.874 -2.898 1.395 467 3HG2 VAL 56 3HG2 VAL 56 -15.982 -4.405 0.480 468 H MET 57 H MET 57 -17.177 -1.869 3.174 469 HA MET 57 HA MET 57 -14.823 -0.291 3.511 470 1HB MET 57 1HB MET 57 -16.064 1.567 2.836 471 2HB MET 57 2HB MET 57 -16.554 0.156 1.921 472 1HG MET 57 1HG MET 57 -18.598 0.982 2.266 473 2HG MET 57 2HG MET 57 -18.473 0.014 3.724 474 1HE MET 57 1HE MET 57 -17.778 3.411 2.141 475 2HE MET 57 2HE MET 57 -18.130 4.571 3.440 476 3HE MET 57 3HE MET 57 -16.608 3.660 3.450 477 H GLU 58 H GLU 58 -17.656 -0.739 5.693 478 HA GLU 58 HA GLU 58 -16.781 0.887 7.815 479 1HB GLU 58 1HB GLU 58 -18.973 -0.165 7.733 480 2HB GLU 58 2HB GLU 58 -18.257 -1.782 7.875 481 1HG GLU 58 1HG GLU 58 -17.450 -1.290 10.128 482 2HG GLU 58 2HG GLU 58 -17.936 0.403 9.962 483 H THR 59 H THR 59 -15.977 -2.521 7.099 484 HA THR 59 HA THR 59 -14.284 -3.052 9.291 485 HB THR 59 HB THR 59 -14.328 -4.145 6.457 486 HG1 THR 59 HG1 THR 59 -16.103 -4.586 7.684 487 1HG2 THR 59 1HG2 THR 59 -12.630 -5.164 8.726 488 2HG2 THR 59 2HG2 THR 59 -13.047 -6.072 7.251 489 3HG2 THR 59 3HG2 THR 59 -12.092 -4.603 7.116 490 H LEU 60 H LEU 60 -13.502 -1.459 6.155 491 HA LEU 60 HA LEU 60 -10.641 -1.314 6.886 492 1HB LEU 60 1HB LEU 60 -12.156 0.016 4.625 493 2HB LEU 60 2HB LEU 60 -10.432 0.060 4.870 494 HG LEU 60 HG LEU 60 -10.015 -1.781 3.835 495 1HD1 LEU 60 1HD1 LEU 60 -10.946 -3.960 4.103 496 2HD1 LEU 60 2HD1 LEU 60 -10.633 -3.258 5.689 497 3HD1 LEU 60 3HD1 LEU 60 -12.296 -3.348 5.054 498 1HD2 LEU 60 1HD2 LEU 60 -11.807 -2.595 2.262 499 2HD2 LEU 60 2HD2 LEU 60 -12.977 -1.626 3.141 500 3HD2 LEU 60 3HD2 LEU 60 -11.640 -0.829 2.295 501 H ASP 61 H ASP 61 -13.493 0.717 7.161 502 HA ASP 61 HA ASP 61 -12.264 3.218 7.222 503 1HB ASP 61 1HB ASP 61 -14.594 2.962 6.743 504 2HB ASP 61 2HB ASP 61 -14.892 2.271 8.347 505 H SER 62 H SER 62 -10.385 2.480 8.688 506 HA SER 62 HA SER 62 -10.511 2.494 11.461 507 1HB SER 62 1HB SER 62 -8.423 3.895 9.741 508 2HB SER 62 2HB SER 62 -8.225 3.322 11.408 509 HG SER 62 HG SER 62 -8.408 1.823 9.027 510 H ASP 63 H ASP 63 -11.169 5.195 9.294 511 HA ASP 63 HA ASP 63 -10.712 7.289 11.227 512 1HB ASP 63 1HB ASP 63 -12.562 7.415 8.817 513 2HB ASP 63 2HB ASP 63 -11.733 8.740 9.627 514 H GLY 64 H GLY 64 -13.248 4.915 10.885 515 1HA GLY 64 1HA GLY 64 -15.352 4.734 11.732 516 2HA GLY 64 2HA GLY 64 -14.768 5.736 13.071 517 H ASP 65 H ASP 65 -15.141 6.621 9.625 518 HA ASP 65 HA ASP 65 -17.024 8.830 10.392 519 1HB ASP 65 1HB ASP 65 -14.723 9.519 9.674 520 2HB ASP 65 2HB ASP 65 -14.992 8.695 8.127 521 H GLY 66 H GLY 66 -17.078 5.803 9.174 522 1HA GLY 66 1HA GLY 66 -18.592 4.690 7.874 523 2HA GLY 66 2HA GLY 66 -19.370 6.207 7.380 524 H GLU 67 H GLU 67 -17.820 7.686 6.145 525 HA GLU 67 HA GLU 67 -17.038 6.535 3.709 526 1HB GLU 67 1HB GLU 67 -16.054 9.150 4.899 527 2HB GLU 67 2HB GLU 67 -16.140 8.703 3.193 528 1HG GLU 67 1HG GLU 67 -18.630 8.591 3.375 529 2HG GLU 67 2HG GLU 67 -18.531 9.137 5.057 530 H CYS 68 H CYS 68 -15.069 5.827 2.927 531 HA CYS 68 HA CYS 68 -12.982 5.110 4.912 532 1HB CYS 68 1HB CYS 68 -13.559 4.359 2.021 533 2HB CYS 68 2HB CYS 68 -11.970 4.038 2.762 534 HG CYS 68 HG CYS 68 -13.369 1.868 2.798 535 H ASP 69 H ASP 69 -10.915 5.995 4.947 536 HA ASP 69 HA ASP 69 -10.442 8.414 3.307 537 1HB ASP 69 1HB ASP 69 -9.980 8.578 5.721 538 2HB ASP 69 2HB ASP 69 -8.833 7.227 5.609 539 H PHE 70 H PHE 70 -8.430 8.635 2.136 540 HA PHE 70 HA PHE 70 -7.755 6.618 0.415 541 1HB PHE 70 1HB PHE 70 -7.046 8.958 0.133 542 2HB PHE 70 2HB PHE 70 -5.899 8.798 1.441 543 HD1 PHE 70 HD1 PHE 70 -3.620 8.455 0.686 544 HD2 PHE 70 HD2 PHE 70 -6.865 6.866 -1.648 545 HE1 PHE 70 HE1 PHE 70 -2.042 7.823 -1.097 546 HE2 PHE 70 HE2 PHE 70 -5.305 6.328 -3.481 547 HZ PHE 70 HZ PHE 70 -2.898 6.780 -3.230 548 H GLN 71 H GLN 71 -6.275 7.137 3.646 549 HA GLN 71 HA GLN 71 -4.253 5.117 3.414 550 1HB GLN 71 1HB GLN 71 -5.857 5.971 5.863 551 2HB GLN 71 2HB GLN 71 -4.349 5.050 5.886 552 1HG GLN 71 1HG GLN 71 -4.680 7.944 4.959 553 2HG GLN 71 2HG GLN 71 -3.954 7.379 6.457 554 1HE2 GLN 71 1HE2 GLN 71 -3.611 7.200 2.876 555 2HE2 GLN 71 2HE2 GLN 71 -1.843 7.102 2.928 556 H GLU 72 H GLU 72 -7.718 4.835 4.169 557 HA GLU 72 HA GLU 72 -7.533 2.021 4.951 558 1HB GLU 72 1HB GLU 72 -10.018 3.565 4.157 559 2HB GLU 72 2HB GLU 72 -9.863 2.145 5.187 560 1HG GLU 72 1HG GLU 72 -9.159 5.011 5.836 561 2HG GLU 72 2HG GLU 72 -10.203 3.910 6.711 562 H PHE 73 H PHE 73 -8.417 3.861 2.054 563 HA PHE 73 HA PHE 73 -8.962 1.641 0.331 564 1HB PHE 73 1HB PHE 73 -9.551 3.782 -0.380 565 2HB PHE 73 2HB PHE 73 -7.963 4.446 -0.091 566 HD1 PHE 73 HD1 PHE 73 -10.117 2.799 -2.528 567 HD2 PHE 73 HD2 PHE 73 -6.054 3.953 -1.637 568 HE1 PHE 73 HE1 PHE 73 -9.603 2.965 -4.955 569 HE2 PHE 73 HE2 PHE 73 -5.506 3.859 -4.036 570 HZ PHE 73 HZ PHE 73 -7.310 3.435 -5.719 571 H MET 74 H MET 74 -5.799 3.304 0.989 572 HA MET 74 HA MET 74 -4.268 1.522 -0.600 573 1HB MET 74 1HB MET 74 -3.512 3.249 1.783 574 2HB MET 74 2HB MET 74 -2.338 2.294 0.881 575 1HG MET 74 1HG MET 74 -4.062 4.529 -0.245 576 2HG MET 74 2HG MET 74 -2.343 4.605 0.109 577 1HE MET 74 1HE MET 74 -1.377 1.684 -1.139 578 2HE MET 74 2HE MET 74 -0.873 2.250 -2.742 579 3HE MET 74 3HE MET 74 -0.479 3.214 -1.311 580 H ALA 75 H ALA 75 -5.148 1.339 2.838 581 HA ALA 75 HA ALA 75 -3.731 -1.048 3.437 582 1HB ALA 75 1HB ALA 75 -5.288 -1.325 5.293 583 2HB ALA 75 2HB ALA 75 -4.811 0.377 5.144 584 3HB ALA 75 3HB ALA 75 -6.409 -0.155 4.580 585 H PHE 76 H PHE 76 -6.987 -0.576 2.032 586 HA PHE 76 HA PHE 76 -7.761 -3.317 1.942 587 1HB PHE 76 1HB PHE 76 -9.369 -1.559 1.703 588 2HB PHE 76 2HB PHE 76 -8.609 -1.004 0.229 589 HD1 PHE 76 HD1 PHE 76 -9.331 -1.706 -1.830 590 HD2 PHE 76 HD2 PHE 76 -10.262 -4.139 1.645 591 HE1 PHE 76 HE1 PHE 76 -10.702 -3.182 -3.228 592 HE2 PHE 76 HE2 PHE 76 -11.586 -5.640 0.200 593 HZ PHE 76 HZ PHE 76 -11.744 -5.214 -2.265 594 H VAL 77 H VAL 77 -6.285 -1.161 -0.521 595 HA VAL 77 HA VAL 77 -5.814 -3.033 -2.574 596 HB VAL 77 HB VAL 77 -4.329 -0.550 -1.662 597 1HG1 VAL 77 1HG1 VAL 77 -3.847 -2.194 -4.194 598 2HG1 VAL 77 2HG1 VAL 77 -3.229 -0.553 -3.913 599 3HG1 VAL 77 3HG1 VAL 77 -2.670 -1.885 -2.898 600 1HG2 VAL 77 1HG2 VAL 77 -6.122 -1.078 -4.079 601 2HG2 VAL 77 2HG2 VAL 77 -6.656 -0.280 -2.592 602 3HG2 VAL 77 3HG2 VAL 77 -5.418 0.481 -3.601 603 H ALA 78 H ALA 78 -3.733 -2.228 0.266 604 HA ALA 78 HA ALA 78 -1.642 -3.987 -0.389 605 1HB ALA 78 1HB ALA 78 -1.471 -2.224 1.320 606 2HB ALA 78 2HB ALA 78 -2.529 -3.159 2.400 607 3HB ALA 78 3HB ALA 78 -0.947 -3.805 1.929 608 H MET 79 H MET 79 -4.501 -4.664 1.764 609 HA MET 79 HA MET 79 -3.675 -7.358 2.258 610 1HB MET 79 1HB MET 79 -6.000 -7.841 2.927 611 2HB MET 79 2HB MET 79 -5.287 -6.436 3.739 612 1HG MET 79 1HG MET 79 -6.516 -4.949 2.330 613 2HG MET 79 2HG MET 79 -7.172 -6.287 1.361 614 1HE MET 79 1HE MET 79 -7.051 -5.932 5.325 615 2HE MET 79 2HE MET 79 -7.462 -4.302 4.717 616 3HE MET 79 3HE MET 79 -8.688 -5.275 5.566 617 H ILE 80 H ILE 80 -5.813 -6.011 -0.292 618 HA ILE 80 HA ILE 80 -6.547 -8.530 -1.411 619 HB ILE 80 HB ILE 80 -6.321 -5.741 -2.609 620 1HG1 ILE 80 1HG1 ILE 80 -7.988 -6.086 -0.737 621 2HG1 ILE 80 2HG1 ILE 80 -8.635 -5.506 -2.270 622 1HG2 ILE 80 1HG2 ILE 80 -7.517 -8.250 -3.830 623 2HG2 ILE 80 2HG2 ILE 80 -7.844 -6.598 -4.407 624 3HG2 ILE 80 3HG2 ILE 80 -6.209 -7.244 -4.485 625 1HD1 ILE 80 1HD1 ILE 80 -9.541 -7.726 -2.766 626 2HD1 ILE 80 2HD1 ILE 80 -8.781 -8.396 -1.298 627 3HD1 ILE 80 3HD1 ILE 80 -10.063 -7.188 -1.165 628 H THR 81 H THR 81 -3.983 -6.217 -2.418 629 HA THR 81 HA THR 81 -3.023 -7.894 -4.493 630 HB THR 81 HB THR 81 -1.348 -5.858 -2.971 631 HG1 THR 81 HG1 THR 81 -3.217 -4.830 -3.565 632 1HG2 THR 81 1HG2 THR 81 -0.192 -7.285 -4.707 633 2HG2 THR 81 2HG2 THR 81 -1.383 -6.762 -5.897 634 3HG2 THR 81 3HG2 THR 81 -0.287 -5.569 -5.189 635 H THR 82 H THR 82 -2.126 -7.651 -1.006 636 HA THR 82 HA THR 82 0.031 -9.513 -1.124 637 HB THR 82 HB THR 82 -1.849 -8.872 1.174 638 HG1 THR 82 HG1 THR 82 -0.681 -7.108 0.468 639 1HG2 THR 82 1HG2 THR 82 -0.677 -11.029 1.542 640 2HG2 THR 82 2HG2 THR 82 0.877 -10.252 1.168 641 3HG2 THR 82 3HG2 THR 82 -0.057 -9.782 2.604 642 H ALA 83 H ALA 83 -3.516 -10.048 -0.590 643 HA ALA 83 HA ALA 83 -3.263 -12.835 -0.161 644 1HB ALA 83 1HB ALA 83 -5.552 -11.213 -1.385 645 2HB ALA 83 2HB ALA 83 -5.690 -12.893 -0.855 646 3HB ALA 83 3HB ALA 83 -5.332 -11.616 0.329 647 H CYS 84 H CYS 84 -3.821 -10.987 -3.192 648 HA CYS 84 HA CYS 84 -3.863 -13.265 -4.917 649 1HB CYS 84 1HB CYS 84 -4.678 -11.146 -5.699 650 2HB CYS 84 2HB CYS 84 -3.081 -10.379 -5.477 651 HG CYS 84 HG CYS 84 -3.876 -12.948 -7.404 652 H HIS 85 H HIS 85 -1.162 -11.140 -3.937 653 HA HIS 85 HA HIS 85 0.949 -12.300 -5.367 654 1HB HIS 85 1HB HIS 85 1.185 -10.212 -4.122 655 2HB HIS 85 2HB HIS 85 0.874 -11.029 -2.603 656 HD1 HIS 85 HD1 HIS 85 3.626 -11.069 -5.331 657 HD2 HIS 85 HD2 HIS 85 2.885 -12.019 -1.300 658 HE1 HIS 85 HE1 HIS 85 5.841 -11.807 -4.334 659 H GLU 86 H GLU 86 0.108 -13.018 -1.936 660 HA GLU 86 HA GLU 86 1.928 -15.174 -1.743 661 1HB GLU 86 1HB GLU 86 -0.571 -14.554 -0.124 662 2HB GLU 86 2HB GLU 86 0.603 -15.825 0.273 663 1HG GLU 86 1HG GLU 86 2.414 -14.028 0.238 664 2HG GLU 86 2HG GLU 86 1.116 -12.826 0.162 665 H PHE 87 H PHE 87 -1.497 -15.186 -2.804 666 HA PHE 87 HA PHE 87 -1.769 -18.027 -3.047 667 1HB PHE 87 1HB PHE 87 -3.564 -16.311 -3.275 668 2HB PHE 87 2HB PHE 87 -2.940 -15.849 -4.840 669 HD1 PHE 87 HD1 PHE 87 -5.720 -17.037 -3.739 670 HD2 PHE 87 HD2 PHE 87 -2.499 -18.473 -6.266 671 HE1 PHE 87 HE1 PHE 87 -7.308 -18.331 -5.110 672 HE2 PHE 87 HE2 PHE 87 -4.066 -19.910 -7.441 673 HZ PHE 87 HZ PHE 87 -6.491 -19.847 -6.891 674 H PHE 88 H PHE 88 -0.733 -15.556 -5.428 675 HA PHE 88 HA PHE 88 -0.287 -17.375 -7.539 676 1HB PHE 88 1HB PHE 88 -0.774 -14.977 -7.770 677 2HB PHE 88 2HB PHE 88 0.801 -14.576 -7.063 678 HD1 PHE 88 HD1 PHE 88 2.678 -14.268 -8.504 679 HD2 PHE 88 HD2 PHE 88 -0.759 -16.455 -9.932 680 HE1 PHE 88 HE1 PHE 88 3.666 -14.354 -10.771 681 HE2 PHE 88 HE2 PHE 88 0.255 -16.557 -12.192 682 HZ PHE 88 HZ PHE 88 2.472 -15.505 -12.614 683 H GLU 89 H GLU 89 2.024 -16.040 -5.120 684 HA GLU 89 HA GLU 89 4.356 -17.025 -6.431 685 1HB GLU 89 1HB GLU 89 3.932 -16.739 -3.432 686 2HB GLU 89 2HB GLU 89 5.477 -16.859 -4.282 687 1HG GLU 89 1HG GLU 89 3.663 -14.512 -3.965 688 2HG GLU 89 2HG GLU 89 5.407 -14.609 -3.882 689 H HIS 90 H HIS 90 2.087 -18.637 -4.184 690 HA HIS 90 HA HIS 90 3.717 -21.103 -4.155 691 1HB HIS 90 1HB HIS 90 0.963 -20.423 -3.094 692 2HB HIS 90 2HB HIS 90 1.762 -21.987 -2.885 693 HD1 HIS 90 HD1 HIS 90 1.688 -18.527 -1.384 694 HD2 HIS 90 HD2 HIS 90 4.108 -21.974 -1.380 695 HE1 HIS 90 HE1 HIS 90 3.324 -18.276 0.562 696 H GLU 91 H GLU 91 3.744 -20.916 -6.579 697 HA GLU 91 HA GLU 91 1.449 -21.583 -8.142 698 1HB GLU 91 1HB GLU 91 4.406 -22.101 -8.700 699 2HB GLU 91 2HB GLU 91 3.091 -22.224 -9.882 700 1HG GLU 91 1HG GLU 91 2.535 -19.816 -9.494 701 2HG GLU 91 2HG GLU 91 3.913 -19.688 -8.393 702 1H SER 1 1H SER 1 -8.429 -3.408 -15.230 703 2H SER 1 2H SER 1 -9.600 -3.002 -16.326 704 3H SER 1 3H SER 1 -8.021 -2.559 -16.580 705 HA SER 1 HA SER 1 -9.220 -0.680 -15.898 706 1HB SER 1 1HB SER 1 -9.945 -2.334 -13.467 707 2HB SER 1 2HB SER 1 -10.422 -0.638 -13.789 708 HG SER 1 HG SER 1 -12.126 -2.035 -14.389 709 H GLU 2 H GLU 2 -8.384 0.909 -14.355 710 HA GLU 2 HA GLU 2 -5.642 0.695 -14.113 711 1HB GLU 2 1HB GLU 2 -7.566 2.528 -12.637 712 2HB GLU 2 2HB GLU 2 -5.814 2.727 -12.618 713 1HG GLU 2 1HG GLU 2 -7.531 2.780 -15.145 714 2HG GLU 2 2HG GLU 2 -6.924 4.195 -14.279 715 H LEU 3 H LEU 3 -7.940 0.384 -11.307 716 HA LEU 3 HA LEU 3 -5.832 -0.082 -9.461 717 1HB LEU 3 1HB LEU 3 -8.619 -1.265 -9.237 718 2HB LEU 3 2HB LEU 3 -7.410 -1.061 -7.960 719 HG LEU 3 HG LEU 3 -8.994 1.104 -9.398 720 1HD1 LEU 3 1HD1 LEU 3 -8.748 0.192 -6.489 721 2HD1 LEU 3 2HD1 LEU 3 -9.761 1.508 -7.082 722 3HD1 LEU 3 3HD1 LEU 3 -10.108 -0.160 -7.577 723 1HD2 LEU 3 1HD2 LEU 3 -6.751 1.461 -7.386 724 2HD2 LEU 3 2HD2 LEU 3 -6.719 2.000 -9.089 725 3HD2 LEU 3 3HD2 LEU 3 -7.850 2.737 -7.953 726 H GLU 4 H GLU 4 -7.923 -2.592 -11.022 727 HA GLU 4 HA GLU 4 -6.565 -4.842 -10.317 728 1HB GLU 4 1HB GLU 4 -8.609 -4.458 -11.892 729 2HB GLU 4 2HB GLU 4 -7.445 -4.403 -13.208 730 1HG GLU 4 1HG GLU 4 -7.820 -6.703 -11.216 731 2HG GLU 4 2HG GLU 4 -8.606 -6.584 -12.797 732 H LYS 5 H LYS 5 -5.613 -2.635 -12.961 733 HA LYS 5 HA LYS 5 -3.494 -4.233 -13.965 734 1HB LYS 5 1HB LYS 5 -4.525 -2.515 -15.312 735 2HB LYS 5 2HB LYS 5 -4.047 -1.252 -14.177 736 1HG LYS 5 1HG LYS 5 -2.655 -1.242 -16.159 737 2HG LYS 5 2HG LYS 5 -1.685 -1.565 -14.719 738 1HD LYS 5 1HD LYS 5 -1.649 -3.987 -15.248 739 2HD LYS 5 2HD LYS 5 -2.676 -3.712 -16.665 740 1HE LYS 5 1HE LYS 5 0.125 -2.560 -16.213 741 2HE LYS 5 2HE LYS 5 -0.260 -3.965 -17.217 742 1HZ LYS 5 1HZ LYS 5 -1.596 -2.546 -18.598 743 2HZ LYS 5 2HZ LYS 5 -1.206 -1.228 -17.688 744 3HZ LYS 5 3HZ LYS 5 -0.037 -2.019 -18.534 745 H ALA 6 H ALA 6 -3.516 -1.399 -11.768 746 HA ALA 6 HA ALA 6 -0.764 -1.262 -11.141 747 1HB ALA 6 1HB ALA 6 -1.639 -0.173 -9.025 748 2HB ALA 6 2HB ALA 6 -2.352 0.469 -10.526 749 3HB ALA 6 3HB ALA 6 -3.273 -0.654 -9.520 750 H VAL 7 H VAL 7 -3.396 -3.050 -9.529 751 HA VAL 7 HA VAL 7 -1.968 -4.243 -7.431 752 HB VAL 7 HB VAL 7 -4.482 -4.902 -8.981 753 1HG1 VAL 7 1HG1 VAL 7 -5.141 -6.504 -7.315 754 2HG1 VAL 7 2HG1 VAL 7 -3.731 -7.079 -8.215 755 3HG1 VAL 7 3HG1 VAL 7 -3.537 -6.445 -6.558 756 1HG2 VAL 7 1HG2 VAL 7 -4.390 -2.904 -7.417 757 2HG2 VAL 7 2HG2 VAL 7 -5.609 -4.120 -6.998 758 3HG2 VAL 7 3HG2 VAL 7 -4.086 -4.031 -6.097 759 H VAL 8 H VAL 8 -2.734 -5.729 -10.688 760 HA VAL 8 HA VAL 8 -1.027 -7.968 -10.064 761 HB VAL 8 HB VAL 8 -1.201 -8.666 -12.341 762 1HG1 VAL 8 1HG1 VAL 8 -3.017 -9.160 -10.771 763 2HG1 VAL 8 2HG1 VAL 8 -3.864 -7.675 -11.250 764 3HG1 VAL 8 3HG1 VAL 8 -3.622 -8.982 -12.425 765 1HG2 VAL 8 1HG2 VAL 8 -1.072 -6.554 -13.582 766 2HG2 VAL 8 2HG2 VAL 8 -2.531 -7.457 -14.015 767 3HG2 VAL 8 3HG2 VAL 8 -2.648 -6.069 -12.929 768 H ALA 9 H ALA 9 -0.373 -4.862 -11.715 769 HA ALA 9 HA ALA 9 2.154 -5.487 -12.758 770 1HB ALA 9 1HB ALA 9 1.201 -2.818 -11.649 771 2HB ALA 9 2HB ALA 9 2.612 -3.078 -12.689 772 3HB ALA 9 3HB ALA 9 0.985 -3.416 -13.312 773 H LEU 10 H LEU 10 1.320 -4.250 -9.474 774 HA LEU 10 HA LEU 10 3.973 -4.086 -8.493 775 1HB LEU 10 1HB LEU 10 1.260 -4.395 -7.234 776 2HB LEU 10 2HB LEU 10 2.644 -4.910 -6.271 777 HG LEU 10 HG LEU 10 3.753 -2.703 -6.663 778 1HD1 LEU 10 1HD1 LEU 10 2.373 -0.802 -7.355 779 2HD1 LEU 10 2HD1 LEU 10 2.446 -1.981 -8.679 780 3HD1 LEU 10 3HD1 LEU 10 0.992 -1.873 -7.654 781 1HD2 LEU 10 1HD2 LEU 10 2.582 -3.234 -4.578 782 2HD2 LEU 10 2HD2 LEU 10 2.356 -1.529 -5.010 783 3HD2 LEU 10 3HD2 LEU 10 1.040 -2.694 -5.282 784 H ILE 11 H ILE 11 1.761 -6.913 -8.515 785 HA ILE 11 HA ILE 11 3.589 -8.683 -7.184 786 HB ILE 11 HB ILE 11 1.301 -9.297 -9.104 787 1HG1 ILE 11 1HG1 ILE 11 1.435 -9.160 -6.060 788 2HG1 ILE 11 2HG1 ILE 11 0.642 -7.978 -7.096 789 1HG2 ILE 11 1HG2 ILE 11 1.314 -11.553 -8.166 790 2HG2 ILE 11 2HG2 ILE 11 2.907 -11.221 -8.823 791 3HG2 ILE 11 3HG2 ILE 11 2.641 -11.131 -7.072 792 1HD1 ILE 11 1HD1 ILE 11 -0.242 -10.862 -6.750 793 2HD1 ILE 11 2HD1 ILE 11 -1.039 -9.398 -6.175 794 3HD1 ILE 11 3HD1 ILE 11 -0.927 -9.708 -7.918 795 H ASP 12 H ASP 12 2.855 -8.137 -10.639 796 HA ASP 12 HA ASP 12 4.583 -9.990 -11.782 797 1HB ASP 12 1HB ASP 12 2.920 -8.776 -13.083 798 2HB ASP 12 2HB ASP 12 3.787 -7.251 -12.833 799 H VAL 13 H VAL 13 5.298 -6.522 -11.025 800 HA VAL 13 HA VAL 13 8.072 -6.705 -11.779 801 HB VAL 13 HB VAL 13 6.430 -4.810 -10.054 802 1HG1 VAL 13 1HG1 VAL 13 8.432 -3.318 -9.967 803 2HG1 VAL 13 2HG1 VAL 13 8.631 -4.758 -8.969 804 3HG1 VAL 13 3HG1 VAL 13 9.431 -4.660 -10.552 805 1HG2 VAL 13 1HG2 VAL 13 6.980 -3.271 -11.897 806 2HG2 VAL 13 2HG2 VAL 13 8.012 -4.514 -12.642 807 3HG2 VAL 13 3HG2 VAL 13 6.251 -4.754 -12.546 808 H PHE 14 H PHE 14 6.527 -6.723 -8.522 809 HA PHE 14 HA PHE 14 8.842 -6.967 -7.058 810 1HB PHE 14 1HB PHE 14 6.623 -6.513 -6.136 811 2HB PHE 14 2HB PHE 14 6.117 -8.170 -6.454 812 HD1 PHE 14 HD1 PHE 14 7.110 -10.063 -5.135 813 HD2 PHE 14 HD2 PHE 14 8.074 -5.952 -4.258 814 HE1 PHE 14 HE1 PHE 14 7.678 -10.689 -2.822 815 HE2 PHE 14 HE2 PHE 14 8.733 -6.613 -1.961 816 HZ PHE 14 HZ PHE 14 8.510 -8.963 -1.224 817 H HIS 15 H HIS 15 6.817 -9.746 -8.206 818 HA HIS 15 HA HIS 15 8.451 -11.628 -6.907 819 1HB HIS 15 1HB HIS 15 7.257 -13.300 -7.802 820 2HB HIS 15 2HB HIS 15 6.088 -11.981 -7.721 821 HD1 HIS 15 HD1 HIS 15 6.741 -10.628 -10.582 822 HD2 HIS 15 HD2 HIS 15 6.402 -14.744 -9.746 823 HE1 HIS 15 HE1 HIS 15 6.186 -11.778 -12.781 824 H GLN 16 H GLN 16 9.102 -9.952 -9.939 825 HA GLN 16 HA GLN 16 10.912 -12.007 -10.971 826 1HB GLN 16 1HB GLN 16 10.591 -9.036 -11.571 827 2HB GLN 16 2HB GLN 16 11.792 -10.074 -12.347 828 1HG GLN 16 1HG GLN 16 10.104 -11.507 -13.289 829 2HG GLN 16 2HG GLN 16 8.819 -10.709 -12.380 830 1HE2 GLN 16 1HE2 GLN 16 7.943 -8.775 -13.140 831 2HE2 GLN 16 2HE2 GLN 16 8.384 -8.081 -14.695 832 H TYR 17 H TYR 17 11.266 -8.945 -9.126 833 HA TYR 17 HA TYR 17 14.120 -9.200 -8.785 834 1HB TYR 17 1HB TYR 17 12.019 -7.579 -7.322 835 2HB TYR 17 2HB TYR 17 13.734 -7.460 -6.968 836 HD1 TYR 17 HD1 TYR 17 15.173 -6.036 -8.236 837 HD2 TYR 17 HD2 TYR 17 11.257 -7.017 -9.730 838 HE1 TYR 17 HE1 TYR 17 15.333 -4.214 -9.917 839 HE2 TYR 17 HE2 TYR 17 11.468 -5.280 -11.459 840 HH TYR 17 HH TYR 17 12.516 -3.200 -11.798 841 H SER 18 H SER 18 11.381 -9.848 -6.526 842 HA SER 18 HA SER 18 12.865 -11.020 -4.441 843 1HB SER 18 1HB SER 18 10.012 -11.545 -5.368 844 2HB SER 18 2HB SER 18 10.675 -11.916 -3.766 845 HG SER 18 HG SER 18 10.970 -9.801 -3.384 846 H GLY 19 H GLY 19 11.833 -12.458 -7.540 847 1HA GLY 19 1HA GLY 19 12.152 -15.200 -6.845 848 2HA GLY 19 2HA GLY 19 12.320 -14.464 -8.452 849 H ARG 20 H ARG 20 14.424 -12.557 -7.713 850 HA ARG 20 HA ARG 20 16.649 -14.375 -8.132 851 1HB ARG 20 1HB ARG 20 16.945 -11.418 -7.618 852 2HB ARG 20 2HB ARG 20 17.950 -12.512 -8.577 853 1HG ARG 20 1HG ARG 20 15.649 -12.744 -10.000 854 2HG ARG 20 2HG ARG 20 15.338 -11.188 -9.227 855 1HD ARG 20 1HD ARG 20 17.702 -11.837 -11.012 856 2HD ARG 20 2HD ARG 20 16.315 -10.780 -11.364 857 HE ARG 20 HE ARG 20 17.807 -10.054 -8.954 858 1HH1 ARG 20 1HH2 ARG 20 17.659 -9.539 -12.461 859 2HH1 ARG 20 2HH2 ARG 20 18.514 -8.021 -12.380 860 1HH2 ARG 20 2HH1 ARG 20 18.893 -8.172 -8.850 861 2HH2 ARG 20 1HH1 ARG 20 19.188 -7.175 -10.254 862 H GLU 21 H GLU 21 15.782 -11.979 -5.557 863 HA GLU 21 HA GLU 21 17.137 -13.751 -3.594 864 1HB GLU 21 1HB GLU 21 17.840 -10.809 -3.715 865 2HB GLU 21 2HB GLU 21 18.383 -12.020 -2.564 866 1HG GLU 21 1HG GLU 21 19.500 -13.273 -4.432 867 2HG GLU 21 2HG GLU 21 19.062 -11.953 -5.536 868 H GLY 22 H GLY 22 15.480 -14.238 -2.434 869 1HA GLY 22 1HA GLY 22 14.477 -13.349 -0.304 870 2HA GLY 22 2HA GLY 22 13.661 -12.149 -1.299 871 H ASP 23 H ASP 23 14.120 -15.450 -2.471 872 HA ASP 23 HA ASP 23 12.697 -17.106 -2.991 873 1HB ASP 23 1HB ASP 23 13.324 -17.503 -0.621 874 2HB ASP 23 2HB ASP 23 11.881 -16.619 -0.096 875 H LYS 24 H LYS 24 11.649 -14.866 -4.091 876 HA LYS 24 HA LYS 24 9.812 -14.265 -5.229 877 1HB LYS 24 1HB LYS 24 8.191 -16.435 -3.859 878 2HB LYS 24 2HB LYS 24 7.840 -15.570 -5.350 879 1HG LYS 24 1HG LYS 24 9.894 -16.584 -6.396 880 2HG LYS 24 2HG LYS 24 10.167 -17.489 -4.900 881 1HD LYS 24 1HD LYS 24 9.105 -19.023 -6.301 882 2HD LYS 24 2HD LYS 24 7.842 -18.501 -5.177 883 1HE LYS 24 1HE LYS 24 6.953 -16.956 -6.945 884 2HE LYS 24 2HE LYS 24 8.253 -17.472 -8.034 885 1HZ LYS 24 1HZ LYS 24 7.364 -19.710 -7.854 886 2HZ LYS 24 2HZ LYS 24 6.114 -19.153 -6.929 887 3HZ LYS 24 3HZ LYS 24 6.273 -18.661 -8.494 888 H HIS 25 H HIS 25 9.272 -14.720 -1.753 889 HA HIS 25 HA HIS 25 6.974 -12.908 -1.692 890 1HB HIS 25 1HB HIS 25 8.374 -14.546 0.447 891 2HB HIS 25 2HB HIS 25 6.857 -13.661 0.648 892 HD1 HIS 25 HD1 HIS 25 8.236 -16.748 -1.230 893 HD2 HIS 25 HD2 HIS 25 4.636 -14.772 -0.279 894 HE1 HIS 25 HE1 HIS 25 6.331 -18.351 -1.823 895 H LYS 26 H LYS 26 10.410 -12.655 -1.031 896 HA LYS 26 HA LYS 26 9.962 -10.118 0.443 897 1HB LYS 26 1HB LYS 26 12.173 -12.139 0.907 898 2HB LYS 26 2HB LYS 26 11.839 -10.694 1.870 899 1HG LYS 26 1HG LYS 26 9.701 -11.650 2.629 900 2HG LYS 26 2HG LYS 26 9.969 -13.109 1.673 901 1HD LYS 26 1HD LYS 26 11.848 -12.178 3.881 902 2HD LYS 26 2HD LYS 26 10.498 -13.288 4.132 903 1HE LYS 26 1HE LYS 26 11.443 -14.884 2.489 904 2HE LYS 26 2HE LYS 26 12.819 -13.807 2.214 905 1HZ LYS 26 1HZ LYS 26 12.135 -15.067 4.766 906 2HZ LYS 26 2HZ LYS 26 13.354 -15.511 3.749 907 3HZ LYS 26 3HZ LYS 26 13.409 -14.052 4.507 908 H LEU 27 H LEU 27 11.980 -8.732 0.473 909 HA LEU 27 HA LEU 27 13.655 -9.037 -2.014 910 1HB LEU 27 1HB LEU 27 12.409 -6.512 -0.853 911 2HB LEU 27 2HB LEU 27 13.727 -6.503 -2.029 912 HG LEU 27 HG LEU 27 11.010 -7.730 -2.583 913 1HD1 LEU 27 1HD1 LEU 27 10.630 -5.634 -3.897 914 2HD1 LEU 27 2HD1 LEU 27 10.861 -5.276 -2.174 915 3HD1 LEU 27 3HD1 LEU 27 12.190 -5.011 -3.324 916 1HD2 LEU 27 1HD2 LEU 27 11.706 -7.580 -4.931 917 2HD2 LEU 27 2HD2 LEU 27 13.259 -6.869 -4.459 918 3HD2 LEU 27 3HD2 LEU 27 12.892 -8.560 -4.054 919 H LYS 28 H LYS 28 15.725 -9.349 -1.388 920 HA LYS 28 HA LYS 28 16.690 -8.360 1.194 921 1HB LYS 28 1HB LYS 28 17.525 -10.433 0.092 922 2HB LYS 28 2HB LYS 28 18.303 -9.442 -1.147 923 1HG LYS 28 1HG LYS 28 19.859 -8.532 0.405 924 2HG LYS 28 2HG LYS 28 18.841 -8.921 1.804 925 1HD LYS 28 1HD LYS 28 20.812 -10.349 1.740 926 2HD LYS 28 2HD LYS 28 19.310 -11.269 1.630 927 1HE LYS 28 1HE LYS 28 21.022 -12.140 0.100 928 2HE LYS 28 2HE LYS 28 19.593 -11.573 -0.762 929 1HZ LYS 28 1HZ LYS 28 22.111 -10.078 -0.455 930 2HZ LYS 28 2HZ LYS 28 21.625 -10.885 -1.808 931 3HZ LYS 28 3HZ LYS 28 20.791 -9.559 -1.300 932 H LYS 29 H LYS 29 18.525 -6.812 1.324 933 HA LYS 29 HA LYS 29 17.836 -4.317 0.336 934 1HB LYS 29 1HB LYS 29 19.996 -3.544 1.199 935 2HB LYS 29 2HB LYS 29 19.141 -4.573 2.317 936 1HG LYS 29 1HG LYS 29 21.222 -5.415 2.572 937 2HG LYS 29 2HG LYS 29 20.733 -6.474 1.250 938 1HD LYS 29 1HD LYS 29 21.845 -4.814 -0.355 939 2HD LYS 29 2HD LYS 29 22.390 -3.905 1.052 940 1HE LYS 29 1HE LYS 29 23.065 -6.837 0.493 941 2HE LYS 29 2HE LYS 29 24.104 -5.462 0.094 942 1HZ LYS 29 1HZ LYS 29 23.238 -6.194 2.801 943 2HZ LYS 29 2HZ LYS 29 24.732 -6.439 2.152 944 3HZ LYS 29 3HZ LYS 29 24.189 -4.906 2.408 945 H SER 30 H SER 30 19.969 -6.666 -1.301 946 HA SER 30 HA SER 30 21.110 -4.841 -3.163 947 1HB SER 30 1HB SER 30 21.178 -7.166 -4.457 948 2HB SER 30 2HB SER 30 22.143 -6.946 -2.987 949 HG SER 30 HG SER 30 20.528 -8.850 -3.282 950 H GLU 31 H GLU 31 18.232 -6.998 -3.273 951 HA GLU 31 HA GLU 31 17.463 -6.204 -5.941 952 1HB GLU 31 1HB GLU 31 15.993 -7.681 -3.717 953 2HB GLU 31 2HB GLU 31 15.331 -7.402 -5.329 954 1HG GLU 31 1HG GLU 31 17.951 -8.856 -4.790 955 2HG GLU 31 2HG GLU 31 16.385 -9.639 -5.107 956 H LEU 32 H LEU 32 16.333 -5.357 -2.651 957 HA LEU 32 HA LEU 32 14.288 -3.602 -3.433 958 1HB LEU 32 1HB LEU 32 14.653 -4.470 -1.155 959 2HB LEU 32 2HB LEU 32 16.085 -3.444 -0.972 960 HG LEU 32 HG LEU 32 13.915 -2.719 0.141 961 1HD1 LEU 32 1HD1 LEU 32 14.270 -0.359 -0.194 962 2HD1 LEU 32 2HD1 LEU 32 15.825 -1.200 -0.114 963 3HD1 LEU 32 3HD1 LEU 32 15.194 -0.645 -1.671 964 1HD2 LEU 32 1HD2 LEU 32 12.347 -3.213 -1.632 965 2HD2 LEU 32 2HD2 LEU 32 12.240 -1.528 -1.100 966 3HD2 LEU 32 3HD2 LEU 32 13.030 -1.918 -2.635 967 H LYS 33 H LYS 33 17.792 -2.912 -2.818 968 HA LYS 33 HA LYS 33 17.782 -0.157 -3.256 969 1HB LYS 33 1HB LYS 33 19.702 -1.309 -2.483 970 2HB LYS 33 2HB LYS 33 19.794 -2.353 -3.877 971 1HG LYS 33 1HG LYS 33 20.444 -0.385 -5.305 972 2HG LYS 33 2HG LYS 33 20.359 0.644 -3.873 973 1HD LYS 33 1HD LYS 33 22.047 -1.070 -2.812 974 2HD LYS 33 2HD LYS 33 22.187 -1.743 -4.438 975 1HE LYS 33 1HE LYS 33 24.012 -0.212 -4.109 976 2HE LYS 33 2HE LYS 33 22.897 0.567 -5.247 977 1HZ LYS 33 1HZ LYS 33 22.072 1.893 -3.464 978 2HZ LYS 33 2HZ LYS 33 22.966 1.066 -2.347 979 3HZ LYS 33 3HZ LYS 33 23.713 2.004 -3.472 980 H GLU 34 H GLU 34 18.430 -2.724 -5.730 981 HA GLU 34 HA GLU 34 18.668 -0.685 -7.737 982 1HB GLU 34 1HB GLU 34 18.898 -2.506 -9.352 983 2HB GLU 34 2HB GLU 34 19.885 -2.788 -7.910 984 1HG GLU 34 1HG GLU 34 18.023 -4.296 -7.052 985 2HG GLU 34 2HG GLU 34 17.256 -4.153 -8.633 986 H LEU 35 H LEU 35 15.985 -2.847 -6.759 987 HA LEU 35 HA LEU 35 14.073 -2.212 -8.728 988 1HB LEU 35 1HB LEU 35 13.742 -3.916 -7.035 989 2HB LEU 35 2HB LEU 35 13.886 -2.735 -5.745 990 HG LEU 35 HG LEU 35 11.638 -3.591 -6.073 991 1HD1 LEU 35 1HD1 LEU 35 10.405 -1.607 -5.817 992 2HD1 LEU 35 2HD1 LEU 35 11.994 -1.304 -5.112 993 3HD1 LEU 35 3HD1 LEU 35 11.543 -0.623 -6.699 994 1HD2 LEU 35 1HD2 LEU 35 11.567 -2.137 -8.739 995 2HD2 LEU 35 2HD2 LEU 35 11.619 -3.899 -8.500 996 3HD2 LEU 35 3HD2 LEU 35 10.220 -2.976 -7.932 997 H ILE 36 H ILE 36 14.757 -0.473 -5.615 998 HA ILE 36 HA ILE 36 12.856 1.587 -6.137 999 HB ILE 36 HB ILE 36 15.315 1.596 -4.352 1000 1HG1 ILE 36 1HG1 ILE 36 13.499 -0.091 -3.806 1001 2HG1 ILE 36 2HG1 ILE 36 13.936 1.055 -2.536 1002 1HG2 ILE 36 1HG2 ILE 36 14.021 3.451 -3.164 1003 2HG2 ILE 36 2HG2 ILE 36 14.761 3.901 -4.714 1004 3HG2 ILE 36 3HG2 ILE 36 13.026 3.556 -4.621 1005 1HD1 ILE 36 1HD1 ILE 36 11.559 0.585 -2.625 1006 2HD1 ILE 36 2HD1 ILE 36 11.883 2.298 -2.943 1007 3HD1 ILE 36 3HD1 ILE 36 11.455 1.206 -4.289 1008 H ASN 37 H ASN 37 16.415 1.604 -6.505 1009 HA ASN 37 HA ASN 37 16.753 4.200 -7.562 1010 1HB ASN 37 1HB ASN 37 18.253 1.597 -8.063 1011 2HB ASN 37 2HB ASN 37 18.688 3.099 -8.896 1012 1HD2 ASN 37 2HD2 ASN 37 18.199 1.828 -5.553 1013 2HD2 ASN 37 1HD2 ASN 37 19.490 2.818 -4.871 1014 H ASN 38 H ASN 38 16.013 1.162 -9.280 1015 HA ASN 38 HA ASN 38 16.154 2.288 -11.897 1016 1HB ASN 38 1HB ASN 38 16.534 -0.099 -11.353 1017 2HB ASN 38 2HB ASN 38 14.818 -0.273 -10.918 1018 1HD2 ASN 38 2HD2 ASN 38 17.148 0.023 -13.534 1019 2HD2 ASN 38 1HD2 ASN 38 15.999 -0.279 -14.830 1020 H GLU 39 H GLU 39 13.338 1.372 -9.817 1021 HA GLU 39 HA GLU 39 11.562 2.411 -11.948 1022 1HB GLU 39 1HB GLU 39 10.959 0.632 -9.571 1023 2HB GLU 39 2HB GLU 39 9.813 1.166 -10.815 1024 1HG GLU 39 1HG GLU 39 11.421 0.169 -12.559 1025 2HG GLU 39 2HG GLU 39 12.296 -0.562 -11.209 1026 H LEU 40 H LEU 40 12.551 3.442 -8.737 1027 HA LEU 40 HA LEU 40 10.095 5.104 -8.487 1028 1HB LEU 40 1HB LEU 40 11.110 3.459 -6.659 1029 2HB LEU 40 2HB LEU 40 12.212 4.805 -6.386 1030 HG LEU 40 HG LEU 40 10.229 6.264 -5.887 1031 1HD1 LEU 40 1HD1 LEU 40 8.689 3.630 -6.114 1032 2HD1 LEU 40 2HD1 LEU 40 8.064 5.110 -5.368 1033 3HD1 LEU 40 3HD1 LEU 40 8.402 5.083 -7.101 1034 1HD2 LEU 40 1HD2 LEU 40 10.427 3.695 -4.292 1035 2HD2 LEU 40 2HD2 LEU 40 11.471 5.118 -4.124 1036 3HD2 LEU 40 3HD2 LEU 40 9.755 5.233 -3.703 1037 H SER 41 H SER 41 12.845 5.573 -10.103 1038 HA SER 41 HA SER 41 14.428 7.408 -9.005 1039 1HB SER 41 1HB SER 41 13.623 7.662 -11.906 1040 2HB SER 41 2HB SER 41 15.243 7.710 -11.187 1041 HG SER 41 HG SER 41 15.042 5.447 -10.823 1042 H HIS 42 H HIS 42 11.285 8.211 -10.543 1043 HA HIS 42 HA HIS 42 11.855 11.083 -10.552 1044 1HB HIS 42 1HB HIS 42 10.452 9.859 -12.260 1045 2HB HIS 42 2HB HIS 42 9.204 9.673 -11.024 1046 HD1 HIS 42 HD1 HIS 42 9.702 12.820 -9.946 1047 HD2 HIS 42 HD2 HIS 42 8.810 11.339 -13.785 1048 HE1 HIS 42 HE1 HIS 42 8.584 14.730 -11.233 1049 H PHE 43 H PHE 43 10.402 8.704 -8.381 1050 HA PHE 43 HA PHE 43 8.926 10.749 -6.817 1051 1HB PHE 43 1HB PHE 43 9.013 7.758 -7.009 1052 2HB PHE 43 2HB PHE 43 8.692 8.456 -5.429 1053 HD1 PHE 43 HD1 PHE 43 7.574 9.226 -8.973 1054 HD2 PHE 43 HD2 PHE 43 6.456 8.523 -4.868 1055 HE1 PHE 43 HE1 PHE 43 5.176 9.474 -9.571 1056 HE2 PHE 43 HE2 PHE 43 4.070 8.609 -5.496 1057 HZ PHE 43 HZ PHE 43 3.424 9.192 -7.824 1058 H LEU 44 H LEU 44 11.879 8.770 -6.710 1059 HA LEU 44 HA LEU 44 12.648 10.053 -4.146 1060 1HB LEU 44 1HB LEU 44 11.460 7.674 -4.197 1061 2HB LEU 44 2HB LEU 44 13.057 7.090 -4.662 1062 HG LEU 44 HG LEU 44 12.442 8.812 -2.218 1063 1HD1 LEU 44 1HD1 LEU 44 12.798 5.789 -2.436 1064 2HD1 LEU 44 2HD1 LEU 44 12.498 6.694 -0.931 1065 3HD1 LEU 44 3HD1 LEU 44 11.250 6.625 -2.194 1066 1HD2 LEU 44 1HD2 LEU 44 14.781 8.957 -2.708 1067 2HD2 LEU 44 2HD2 LEU 44 14.619 7.806 -1.377 1068 3HD2 LEU 44 3HD2 LEU 44 14.897 7.208 -3.025 1069 H GLU 45 H GLU 45 14.724 10.695 -4.166 1070 HA GLU 45 HA GLU 45 16.372 10.639 -6.475 1071 1HB GLU 45 1HB GLU 45 17.174 10.925 -3.539 1072 2HB GLU 45 2HB GLU 45 18.197 11.299 -4.933 1073 1HG GLU 45 1HG GLU 45 16.481 12.989 -5.682 1074 2HG GLU 45 2HG GLU 45 15.595 12.710 -4.172 1075 H GLU 46 H GLU 46 17.851 9.142 -7.237 1076 HA GLU 46 HA GLU 46 17.404 6.479 -6.524 1077 1HB GLU 46 1HB GLU 46 18.842 5.905 -8.267 1078 2HB GLU 46 2HB GLU 46 18.221 7.486 -8.738 1079 1HG GLU 46 1HG GLU 46 20.319 8.437 -7.519 1080 2HG GLU 46 2HG GLU 46 20.866 6.753 -7.498 1081 H ILE 47 H ILE 47 18.188 5.124 -5.190 1082 HA ILE 47 HA ILE 47 19.764 6.206 -2.979 1083 HB ILE 47 HB ILE 47 18.506 3.451 -3.014 1084 1HG1 ILE 47 1HG1 ILE 47 17.236 6.166 -2.693 1085 2HG1 ILE 47 2HG1 ILE 47 16.743 4.868 -3.800 1086 1HG2 ILE 47 1HG2 ILE 47 18.943 5.561 -0.841 1087 2HG2 ILE 47 2HG2 ILE 47 18.461 3.868 -0.600 1088 3HG2 ILE 47 3HG2 ILE 47 20.090 4.251 -1.168 1089 1HD1 ILE 47 1HD1 ILE 47 15.177 5.003 -2.037 1090 2HD1 ILE 47 2HD1 ILE 47 16.077 3.471 -1.902 1091 3HD1 ILE 47 3HD1 ILE 47 16.415 4.833 -0.789 1092 H LYS 48 H LYS 48 21.568 6.348 -4.483 1093 HA LYS 48 HA LYS 48 23.157 4.092 -5.180 1094 1HB LYS 48 1HB LYS 48 25.004 5.697 -5.345 1095 2HB LYS 48 2HB LYS 48 23.532 6.268 -6.141 1096 1HG LYS 48 1HG LYS 48 23.047 7.750 -4.181 1097 2HG LYS 48 2HG LYS 48 24.545 7.184 -3.406 1098 1HD LYS 48 1HD LYS 48 25.855 8.042 -5.328 1099 2HD LYS 48 2HD LYS 48 24.356 8.608 -6.095 1100 1HE LYS 48 1HE LYS 48 23.921 10.094 -4.142 1101 2HE LYS 48 2HE LYS 48 25.428 9.539 -3.385 1102 1HZ LYS 48 1HZ LYS 48 25.217 10.948 -5.953 1103 2HZ LYS 48 2HZ LYS 48 25.712 11.603 -4.524 1104 3HZ LYS 48 3HZ LYS 48 26.617 10.434 -5.251 1105 H GLU 49 H GLU 49 22.735 5.767 -2.100 1106 HA GLU 49 HA GLU 49 25.119 4.569 -0.928 1107 1HB GLU 49 1HB GLU 49 24.543 6.831 -0.337 1108 2HB GLU 49 2HB GLU 49 22.933 6.341 0.223 1109 1HG GLU 49 1HG GLU 49 24.569 6.724 2.084 1110 2HG GLU 49 2HG GLU 49 23.859 5.122 2.074 1111 H GLN 50 H GLN 50 24.983 2.413 -0.634 1112 HA GLN 50 HA GLN 50 22.851 0.759 -0.121 1113 1HB GLN 50 1HB GLN 50 25.246 0.127 -0.582 1114 2HB GLN 50 2HB GLN 50 25.574 0.399 1.138 1115 1HG GLN 50 1HG GLN 50 23.753 -1.327 1.648 1116 2HG GLN 50 2HG GLN 50 23.588 -1.594 -0.094 1117 1HE2 GLN 50 1HE2 GLN 50 26.278 -1.383 2.345 1118 2HE2 GLN 50 2HE2 GLN 50 27.095 -2.815 1.746 1119 H GLU 51 H GLU 51 24.620 2.725 2.344 1120 HA GLU 51 HA GLU 51 23.449 1.540 4.643 1121 1HB GLU 51 1HB GLU 51 24.192 4.462 4.185 1122 2HB GLU 51 2HB GLU 51 23.849 3.730 5.747 1123 1HG GLU 51 1HG GLU 51 25.785 2.302 5.628 1124 2HG GLU 51 2HG GLU 51 26.127 2.763 3.960 1125 H VAL 52 H VAL 52 22.143 3.972 2.352 1126 HA VAL 52 HA VAL 52 19.866 4.573 4.067 1127 HB VAL 52 HB VAL 52 20.438 5.327 1.179 1128 1HG1 VAL 52 1HG1 VAL 52 17.994 5.305 1.630 1129 2HG1 VAL 52 2HG1 VAL 52 18.257 6.269 3.101 1130 3HG1 VAL 52 3HG1 VAL 52 18.599 6.950 1.501 1131 1HG2 VAL 52 1HG2 VAL 52 20.639 6.854 3.817 1132 2HG2 VAL 52 2HG2 VAL 52 22.005 6.357 2.806 1133 3HG2 VAL 52 3HG2 VAL 52 20.863 7.564 2.211 1134 H VAL 53 H VAL 53 20.487 2.499 1.160 1135 HA VAL 53 HA VAL 53 17.809 1.701 0.822 1136 HB VAL 53 HB VAL 53 18.450 0.127 -0.572 1137 1HG1 VAL 53 1HG1 VAL 53 19.515 1.936 -1.542 1138 2HG1 VAL 53 2HG1 VAL 53 20.948 1.819 -0.505 1139 3HG1 VAL 53 3HG1 VAL 53 20.640 0.588 -1.693 1140 1HG2 VAL 53 1HG2 VAL 53 20.389 -1.395 -0.505 1141 2HG2 VAL 53 2HG2 VAL 53 20.887 -0.703 1.008 1142 3HG2 VAL 53 3HG2 VAL 53 19.315 -1.519 0.873 1143 H ASP 54 H ASP 54 20.409 0.281 2.793 1144 HA ASP 54 HA ASP 54 18.989 -1.765 4.053 1145 1HB ASP 54 1HB ASP 54 21.429 -1.513 4.175 1146 2HB ASP 54 2HB ASP 54 21.257 -0.063 5.176 1147 H LYS 55 H LYS 55 19.482 1.658 5.213 1148 HA LYS 55 HA LYS 55 17.958 1.313 7.549 1149 1HB LYS 55 1HB LYS 55 19.441 3.191 7.145 1150 2HB LYS 55 2HB LYS 55 18.371 3.850 5.905 1151 1HG LYS 55 1HG LYS 55 17.248 3.334 8.671 1152 2HG LYS 55 2HG LYS 55 18.364 4.687 8.441 1153 1HD LYS 55 1HD LYS 55 16.912 5.670 6.712 1154 2HD LYS 55 2HD LYS 55 15.788 4.315 6.838 1155 1HE LYS 55 1HE LYS 55 14.898 6.175 8.079 1156 2HE LYS 55 2HE LYS 55 15.305 4.861 9.188 1157 1HZ LYS 55 1HZ LYS 55 16.962 7.237 8.677 1158 2HZ LYS 55 2HZ LYS 55 16.003 6.996 9.996 1159 3HZ LYS 55 3HZ LYS 55 17.310 6.028 9.745 1160 H VAL 56 H VAL 56 16.821 2.543 4.317 1161 HA VAL 56 HA VAL 56 14.210 3.069 5.349 1162 HB VAL 56 HB VAL 56 13.436 3.428 3.132 1163 1HG1 VAL 56 1HG1 VAL 56 14.962 5.221 2.441 1164 2HG1 VAL 56 2HG1 VAL 56 14.742 5.204 4.200 1165 3HG1 VAL 56 3HG1 VAL 56 16.235 4.579 3.481 1166 1HG2 VAL 56 1HG2 VAL 56 14.434 1.614 1.857 1167 2HG2 VAL 56 2HG2 VAL 56 14.855 3.169 1.134 1168 3HG2 VAL 56 3HG2 VAL 56 16.049 2.301 2.106 1169 H MET 57 H MET 57 15.525 0.158 3.664 1170 HA MET 57 HA MET 57 12.914 -1.102 3.747 1171 1HB MET 57 1HB MET 57 13.932 -3.032 2.874 1172 2HB MET 57 2HB MET 57 14.529 -1.593 2.067 1173 1HG MET 57 1HG MET 57 16.550 -2.505 2.273 1174 2HG MET 57 2HG MET 57 16.491 -1.903 3.919 1175 1HE MET 57 1HE MET 57 14.545 -5.139 2.437 1176 2HE MET 57 2HE MET 57 16.038 -4.879 1.531 1177 3HE MET 57 3HE MET 57 15.893 -6.274 2.616 1178 H GLU 58 H GLU 58 15.820 -1.327 5.862 1179 HA GLU 58 HA GLU 58 14.916 -3.244 7.679 1180 1HB GLU 58 1HB GLU 58 17.173 -2.370 7.698 1181 2HB GLU 58 2HB GLU 58 16.599 -0.752 8.165 1182 1HG GLU 58 1HG GLU 58 15.859 -1.570 10.330 1183 2HG GLU 58 2HG GLU 58 16.161 -3.240 9.837 1184 H THR 59 H THR 59 14.284 0.252 7.601 1185 HA THR 59 HA THR 59 12.835 0.551 9.973 1186 HB THR 59 HB THR 59 12.563 1.941 7.282 1187 HG1 THR 59 HG1 THR 59 14.522 2.187 8.310 1188 1HG2 THR 59 1HG2 THR 59 11.534 3.825 8.490 1189 2HG2 THR 59 2HG2 THR 59 10.475 2.417 8.416 1190 3HG2 THR 59 3HG2 THR 59 11.346 2.792 9.927 1191 H LEU 60 H LEU 60 11.737 -1.073 6.995 1192 HA LEU 60 HA LEU 60 8.989 -1.336 8.179 1193 1HB LEU 60 1HB LEU 60 9.983 -1.680 5.331 1194 2HB LEU 60 2HB LEU 60 8.366 -2.094 5.903 1195 HG LEU 60 HG LEU 60 8.030 -0.137 4.827 1196 1HD1 LEU 60 1HD1 LEU 60 7.112 1.324 6.476 1197 2HD1 LEU 60 2HD1 LEU 60 6.971 -0.325 7.094 1198 3HD1 LEU 60 3HD1 LEU 60 8.236 0.762 7.721 1199 1HD2 LEU 60 1HD2 LEU 60 10.323 0.667 4.606 1200 2HD2 LEU 60 2HD2 LEU 60 9.221 1.955 5.120 1201 3HD2 LEU 60 3HD2 LEU 60 10.317 1.216 6.296 1202 H ASP 61 H ASP 61 11.851 -2.985 8.295 1203 HA ASP 61 HA ASP 61 11.012 -5.526 7.249 1204 1HB ASP 61 1HB ASP 61 13.333 -4.849 7.265 1205 2HB ASP 61 2HB ASP 61 13.342 -4.783 9.035 1206 H SER 62 H SER 62 8.907 -5.455 8.505 1207 HA SER 62 HA SER 62 8.563 -6.165 11.184 1208 1HB SER 62 1HB SER 62 6.499 -7.258 10.431 1209 2HB SER 62 2HB SER 62 6.742 -5.754 9.512 1210 HG SER 62 HG SER 62 6.223 -7.426 8.095 1211 H ASP 63 H ASP 63 9.635 -8.124 8.464 1212 HA ASP 63 HA ASP 63 9.421 -10.679 9.684 1213 1HB ASP 63 1HB ASP 63 11.350 -9.832 7.471 1214 2HB ASP 63 2HB ASP 63 10.754 -11.456 7.804 1215 H GLY 64 H GLY 64 11.735 -8.132 10.243 1216 1HA GLY 64 1HA GLY 64 13.793 -8.034 11.211 1217 2HA GLY 64 2HA GLY 64 13.242 -9.399 12.198 1218 H ASP 65 H ASP 65 13.654 -9.508 8.682 1219 HA ASP 65 HA ASP 65 15.736 -11.649 8.995 1220 1HB ASP 65 1HB ASP 65 13.442 -12.415 8.376 1221 2HB ASP 65 2HB ASP 65 13.485 -11.351 6.959 1222 H GLY 66 H GLY 66 15.514 -8.481 8.178 1223 1HA GLY 66 1HA GLY 66 16.775 -7.132 6.846 1224 2HA GLY 66 2HA GLY 66 17.632 -8.523 6.157 1225 H GLU 67 H GLU 67 16.044 -10.028 4.902 1226 HA GLU 67 HA GLU 67 15.069 -8.676 2.671 1227 1HB GLU 67 1HB GLU 67 14.063 -11.408 3.493 1228 2HB GLU 67 2HB GLU 67 14.291 -10.738 1.881 1229 1HG GLU 67 1HG GLU 67 16.794 -10.670 2.354 1230 2HG GLU 67 2HG GLU 67 16.470 -11.634 3.807 1231 H CYS 68 H CYS 68 13.248 -7.536 2.328 1232 HA CYS 68 HA CYS 68 11.231 -7.401 4.520 1233 1HB CYS 68 1HB CYS 68 12.005 -5.587 2.201 1234 2HB CYS 68 2HB CYS 68 10.523 -5.336 3.160 1235 HG CYS 68 HG CYS 68 13.562 -5.729 4.392 1236 H ASP 69 H ASP 69 9.158 -8.164 4.295 1237 HA ASP 69 HA ASP 69 8.571 -9.849 2.047 1238 1HB ASP 69 1HB ASP 69 7.925 -10.428 4.315 1239 2HB ASP 69 2HB ASP 69 6.855 -9.009 4.406 1240 H PHE 70 H PHE 70 6.716 -9.746 0.671 1241 HA PHE 70 HA PHE 70 6.180 -7.468 -0.718 1242 1HB PHE 70 1HB PHE 70 5.473 -9.732 -1.330 1243 2HB PHE 70 2HB PHE 70 4.202 -9.698 -0.120 1244 HD1 PHE 70 HD1 PHE 70 2.092 -8.508 -0.613 1245 HD2 PHE 70 HD2 PHE 70 5.508 -8.026 -3.166 1246 HE1 PHE 70 HE1 PHE 70 0.730 -7.190 -2.199 1247 HE2 PHE 70 HE2 PHE 70 4.143 -6.757 -4.794 1248 HZ PHE 70 HZ PHE 70 1.783 -6.229 -4.255 1249 H GLN 71 H GLN 71 4.444 -8.464 2.270 1250 HA GLN 71 HA GLN 71 2.544 -6.372 2.469 1251 1HB GLN 71 1HB GLN 71 4.202 -7.904 4.508 1252 2HB GLN 71 2HB GLN 71 3.034 -6.687 5.012 1253 1HG GLN 71 1HG GLN 71 2.118 -8.881 3.144 1254 2HG GLN 71 2HG GLN 71 2.364 -9.220 4.857 1255 1HE2 GLN 71 2HE2 GLN 71 0.279 -7.408 2.570 1256 2HE2 GLN 71 1HE2 GLN 71 -0.837 -6.877 3.830 1257 H GLU 72 H GLU 72 6.005 -6.405 3.423 1258 HA GLU 72 HA GLU 72 5.824 -3.779 4.682 1259 1HB GLU 72 1HB GLU 72 8.267 -5.474 3.965 1260 2HB GLU 72 2HB GLU 72 8.210 -4.119 5.088 1261 1HG GLU 72 1HG GLU 72 6.990 -6.881 5.419 1262 2HG GLU 72 2HG GLU 72 8.156 -6.074 6.447 1263 H PHE 73 H PHE 73 7.022 -5.127 1.667 1264 HA PHE 73 HA PHE 73 7.989 -2.741 0.441 1265 1HB PHE 73 1HB PHE 73 8.429 -4.767 -0.600 1266 2HB PHE 73 2HB PHE 73 6.779 -5.331 -0.504 1267 HD1 PHE 73 HD1 PHE 73 5.272 -5.005 -2.369 1268 HD2 PHE 73 HD2 PHE 73 9.004 -2.845 -2.197 1269 HE1 PHE 73 HE1 PHE 73 5.036 -4.390 -4.764 1270 HE2 PHE 73 HE2 PHE 73 8.775 -2.277 -4.589 1271 HZ PHE 73 HZ PHE 73 6.857 -3.108 -5.907 1272 H MET 74 H MET 74 4.655 -4.161 0.445 1273 HA MET 74 HA MET 74 3.420 -1.954 -0.821 1274 1HB MET 74 1HB MET 74 2.390 -4.174 0.944 1275 2HB MET 74 2HB MET 74 1.320 -2.901 0.373 1276 1HG MET 74 1HG MET 74 2.972 -3.919 -1.840 1277 2HG MET 74 2HG MET 74 2.120 -5.213 -1.014 1278 1HE MET 74 1HE MET 74 0.590 -1.527 -1.290 1279 2HE MET 74 2HE MET 74 1.680 -1.672 -2.686 1280 3HE MET 74 3HE MET 74 -0.082 -1.618 -2.928 1281 H ALA 75 H ALA 75 4.073 -2.496 2.628 1282 HA ALA 75 HA ALA 75 2.717 -0.166 3.563 1283 1HB ALA 75 1HB ALA 75 5.216 -1.419 4.769 1284 2HB ALA 75 2HB ALA 75 4.049 -0.360 5.574 1285 3HB ALA 75 3HB ALA 75 3.550 -1.978 5.041 1286 H PHE 76 H PHE 76 6.078 -0.596 2.399 1287 HA PHE 76 HA PHE 76 6.920 2.118 2.840 1288 1HB PHE 76 1HB PHE 76 8.586 0.440 2.477 1289 2HB PHE 76 2HB PHE 76 7.866 -0.029 0.945 1290 HD1 PHE 76 HD1 PHE 76 9.822 2.701 2.589 1291 HD2 PHE 76 HD2 PHE 76 8.230 1.083 -1.095 1292 HE1 PHE 76 HE1 PHE 76 11.208 4.285 1.266 1293 HE2 PHE 76 HE2 PHE 76 9.540 2.713 -2.384 1294 HZ PHE 76 HZ PHE 76 11.049 4.302 -1.234 1295 H VAL 77 H VAL 77 5.618 0.420 -0.057 1296 HA VAL 77 HA VAL 77 5.374 2.640 -1.779 1297 HB VAL 77 HB VAL 77 3.734 0.124 -1.431 1298 1HG1 VAL 77 1HG1 VAL 77 2.756 0.600 -3.701 1299 2HG1 VAL 77 2HG1 VAL 77 2.174 1.711 -2.464 1300 3HG1 VAL 77 3HG1 VAL 77 3.427 2.239 -3.611 1301 1HG2 VAL 77 1HG2 VAL 77 4.859 -0.582 -3.481 1302 2HG2 VAL 77 2HG2 VAL 77 5.650 1.002 -3.627 1303 3HG2 VAL 77 3HG2 VAL 77 6.080 -0.087 -2.295 1304 H ALA 78 H ALA 78 3.109 1.493 0.794 1305 HA ALA 78 HA ALA 78 1.099 3.369 0.275 1306 1HB ALA 78 1HB ALA 78 0.259 2.940 2.495 1307 2HB ALA 78 2HB ALA 78 0.783 1.427 1.738 1308 3HB ALA 78 3HB ALA 78 1.788 2.199 2.990 1309 H MET 79 H MET 79 3.871 3.751 2.625 1310 HA MET 79 HA MET 79 3.034 6.374 3.357 1311 1HB MET 79 1HB MET 79 5.213 6.841 4.196 1312 2HB MET 79 2HB MET 79 4.666 5.237 4.715 1313 1HG MET 79 1HG MET 79 6.240 4.234 3.128 1314 2HG MET 79 2HG MET 79 6.691 5.847 2.513 1315 1HE MET 79 1HE MET 79 6.305 4.696 6.317 1316 2HE MET 79 2HE MET 79 6.988 3.327 5.402 1317 3HE MET 79 3HE MET 79 7.996 4.209 6.581 1318 H ILE 80 H ILE 80 5.207 5.330 0.741 1319 HA ILE 80 HA ILE 80 5.968 7.929 -0.151 1320 HB ILE 80 HB ILE 80 5.699 5.277 -1.616 1321 1HG1 ILE 80 1HG1 ILE 80 7.248 5.324 0.403 1322 2HG1 ILE 80 2HG1 ILE 80 7.934 4.826 -1.142 1323 1HG2 ILE 80 1HG2 ILE 80 5.791 6.945 -3.306 1324 2HG2 ILE 80 2HG2 ILE 80 7.100 7.823 -2.485 1325 3HG2 ILE 80 3HG2 ILE 80 7.399 6.221 -3.199 1326 1HD1 ILE 80 1HD1 ILE 80 8.261 7.557 0.163 1327 2HD1 ILE 80 2HD1 ILE 80 9.427 6.221 0.179 1328 3HD1 ILE 80 3HD1 ILE 80 9.031 7.019 -1.355 1329 H THR 81 H THR 81 3.363 5.764 -1.228 1330 HA THR 81 HA THR 81 2.219 7.435 -3.211 1331 HB THR 81 HB THR 81 0.952 5.291 -1.433 1332 HG1 THR 81 HG1 THR 81 2.650 4.493 -2.617 1333 1HG2 THR 81 1HG2 THR 81 -0.816 6.510 -2.477 1334 2HG2 THR 81 2HG2 THR 81 -0.013 6.514 -4.053 1335 3HG2 THR 81 3HG2 THR 81 -0.614 4.995 -3.373 1336 H THR 82 H THR 82 1.699 7.214 0.345 1337 HA THR 82 HA THR 82 -0.514 9.040 0.400 1338 HB THR 82 HB THR 82 1.435 8.304 2.612 1339 HG1 THR 82 HG1 THR 82 0.365 6.524 1.765 1340 1HG2 THR 82 1HG2 THR 82 -1.369 9.514 2.691 1341 2HG2 THR 82 2HG2 THR 82 -0.439 8.939 4.093 1342 3HG2 THR 82 3HG2 THR 82 0.135 10.328 3.166 1343 H ALA 83 H ALA 83 3.052 9.516 0.846 1344 HA ALA 83 HA ALA 83 2.920 12.322 1.243 1345 1HB ALA 83 1HB ALA 83 5.098 10.760 -0.216 1346 2HB ALA 83 2HB ALA 83 5.254 12.360 0.533 1347 3HB ALA 83 3HB ALA 83 4.973 10.929 1.544 1348 H CYS 84 H CYS 84 3.122 10.410 -1.775 1349 HA CYS 84 HA CYS 84 3.085 12.607 -3.544 1350 1HB CYS 84 1HB CYS 84 3.726 10.464 -4.295 1351 2HB CYS 84 2HB CYS 84 2.115 9.770 -3.959 1352 HG CYS 84 HG CYS 84 2.861 12.287 -5.958 1353 H HIS 85 H HIS 85 0.309 10.686 -2.328 1354 HA HIS 85 HA HIS 85 -1.821 12.071 -3.496 1355 1HB HIS 85 1HB HIS 85 -2.155 10.054 -2.277 1356 2HB HIS 85 2HB HIS 85 -1.538 10.761 -0.790 1357 HD1 HIS 85 HD1 HIS 85 -4.543 11.871 -3.094 1358 HD2 HIS 85 HD2 HIS 85 -3.432 10.959 0.877 1359 HE1 HIS 85 HE1 HIS 85 -6.656 11.930 -1.706 1360 H GLU 86 H GLU 86 -0.106 12.819 -0.404 1361 HA GLU 86 HA GLU 86 -1.581 15.136 0.221 1362 1HB GLU 86 1HB GLU 86 1.281 14.382 0.894 1363 2HB GLU 86 2HB GLU 86 0.474 15.828 1.513 1364 1HG GLU 86 1HG GLU 86 -1.269 14.514 2.573 1365 2HG GLU 86 2HG GLU 86 -0.656 13.015 1.873 1366 H PHE 87 H PHE 87 1.391 14.915 -1.893 1367 HA PHE 87 HA PHE 87 1.292 17.781 -2.321 1368 1HB PHE 87 1HB PHE 87 2.954 17.668 -3.849 1369 2HB PHE 87 2HB PHE 87 3.347 16.431 -2.671 1370 HD1 PHE 87 HD1 PHE 87 4.480 14.656 -3.590 1371 HD2 PHE 87 HD2 PHE 87 1.646 16.778 -6.057 1372 HE1 PHE 87 HE1 PHE 87 5.234 13.389 -5.574 1373 HE2 PHE 87 HE2 PHE 87 2.290 15.402 -7.984 1374 HZ PHE 87 HZ PHE 87 4.120 13.728 -7.773 1375 H PHE 88 H PHE 88 -0.098 15.024 -4.029 1376 HA PHE 88 HA PHE 88 -1.183 16.391 -6.265 1377 1HB PHE 88 1HB PHE 88 -1.539 13.811 -4.889 1378 2HB PHE 88 2HB PHE 88 -3.053 14.404 -5.554 1379 HD1 PHE 88 HD1 PHE 88 -3.525 14.313 -7.873 1380 HD2 PHE 88 HD2 PHE 88 0.459 13.556 -6.436 1381 HE1 PHE 88 HE1 PHE 88 -2.943 13.261 -10.052 1382 HE2 PHE 88 HE2 PHE 88 1.066 12.556 -8.636 1383 HZ PHE 88 HZ PHE 88 -0.646 12.380 -10.433 1384 H GLU 89 H GLU 89 -2.430 16.013 -2.954 1385 HA GLU 89 HA GLU 89 -4.905 17.436 -3.510 1386 1HB GLU 89 1HB GLU 89 -3.450 16.686 -0.924 1387 2HB GLU 89 2HB GLU 89 -5.019 17.484 -0.945 1388 1HG GLU 89 1HG GLU 89 -4.538 14.817 -2.354 1389 2HG GLU 89 2HG GLU 89 -4.935 14.930 -0.648 1390 H HIS 90 H HIS 90 -2.089 18.280 -1.416 1391 HA HIS 90 HA HIS 90 -2.875 21.133 -1.553 1392 1HB HIS 90 1HB HIS 90 -0.740 19.713 0.074 1393 2HB HIS 90 2HB HIS 90 -1.281 21.385 0.270 1394 HD1 HIS 90 HD1 HIS 90 -1.515 19.164 2.607 1395 HD2 HIS 90 HD2 HIS 90 -4.547 20.406 -0.043 1396 HE1 HIS 90 HE1 HIS 90 -3.742 18.579 3.703 1397 H GLU 91 H GLU 91 -2.381 20.971 -3.886 1398 HA GLU 91 HA GLU 91 0.338 20.863 -4.806 1399 1HB GLU 91 1HB GLU 91 -2.113 22.171 -6.064 1400 2HB GLU 91 2HB GLU 91 -0.576 21.836 -6.886 1401 1HG GLU 91 1HG GLU 91 -0.858 19.406 -6.428 1402 2HG GLU 91 2HG GLU 91 -2.419 19.730 -5.660 1403 1H LYS 62 H1 LYS 62 -26.111 -22.926 7.658 1404 2H LYS 62 H2 LYS 62 -24.486 -23.024 7.352 1405 3H LYS 62 H3 LYS 62 -25.108 -21.668 8.029 1406 HA LYS 62 HA LYS 62 -25.703 -22.841 10.003 1407 1HB LYS 62 1HB LYS 62 -24.258 -25.164 8.651 1408 2HB LYS 62 2HB LYS 62 -24.842 -25.141 10.324 1409 1HG LYS 62 1HG LYS 62 -27.175 -24.810 9.471 1410 2HG LYS 62 2HG LYS 62 -26.564 -24.998 7.812 1411 1HD LYS 62 1HD LYS 62 -25.637 -27.242 8.433 1412 2HD LYS 62 2HD LYS 62 -26.365 -27.085 10.039 1413 1HE LYS 62 1HE LYS 62 -27.873 -27.100 7.377 1414 2HE LYS 62 2HE LYS 62 -27.747 -28.457 8.506 1415 1HZ LYS 62 1HZ LYS 62 -28.870 -27.124 10.143 1416 2HZ LYS 62 2HZ LYS 62 -29.020 -25.875 9.077 1417 3HZ LYS 62 3HZ LYS 62 -29.790 -27.302 8.788 1418 H ARG 63 H ARG 63 -23.990 -23.447 11.717 1419 HA ARG 63 HA ARG 63 -21.657 -21.774 11.416 1420 1HB ARG 63 1HB ARG 63 -22.939 -22.575 13.574 1421 2HB ARG 63 2HB ARG 63 -21.870 -23.976 13.496 1422 1HG ARG 63 1HG ARG 63 -21.088 -21.030 13.684 1423 2HG ARG 63 2HG ARG 63 -21.017 -22.220 14.985 1424 1HD ARG 63 1HD ARG 63 -19.284 -22.164 12.480 1425 2HD ARG 63 2HD ARG 63 -18.801 -21.779 14.113 1426 HE ARG 63 HE ARG 63 -19.419 -24.138 14.750 1427 1HH1 ARG 63 2HH2 ARG 63 -18.438 -23.636 11.375 1428 2HH1 ARG 63 1HH2 ARG 63 -17.194 -24.849 11.427 1429 1HH2 ARG 63 2HH1 ARG 63 -17.993 -25.886 14.715 1430 2HH2 ARG 63 1HH1 ARG 63 -17.071 -26.257 13.284 1431 H LEU 64 H LEU 64 -22.209 -25.296 11.535 1432 HA LEU 64 HA LEU 64 -19.627 -26.241 11.165 1433 1HB LEU 64 1HB LEU 64 -22.171 -27.480 10.037 1434 2HB LEU 64 2HB LEU 64 -20.640 -28.305 10.347 1435 HG LEU 64 HG LEU 64 -22.522 -27.106 12.435 1436 1HD1 LEU 64 1HD1 LEU 64 -21.745 -29.982 11.810 1437 2HD1 LEU 64 2HD1 LEU 64 -22.847 -29.443 13.094 1438 3HD1 LEU 64 3HD1 LEU 64 -23.290 -29.209 11.394 1439 1HD2 LEU 64 1HD2 LEU 64 -20.998 -28.213 14.093 1440 2HD2 LEU 64 2HD2 LEU 64 -19.829 -28.497 12.785 1441 3HD2 LEU 64 3HD2 LEU 64 -20.252 -26.839 13.276 1442 H ARG 65 H ARG 65 -22.040 -25.833 8.529 1443 HA ARG 65 HA ARG 65 -19.936 -25.894 6.482 1444 1HB ARG 65 1HB ARG 65 -22.223 -26.830 6.094 1445 2HB ARG 65 2HB ARG 65 -22.881 -25.185 6.187 1446 1HG ARG 65 1HG ARG 65 -21.364 -24.526 4.281 1447 2HG ARG 65 2HG ARG 65 -20.770 -26.196 4.214 1448 1HD ARG 65 1HD ARG 65 -23.055 -26.983 3.682 1449 2HD ARG 65 2HD ARG 65 -23.651 -25.307 3.788 1450 HE ARG 65 HE ARG 65 -21.469 -25.421 1.960 1451 1HH1 ARG 65 2HH2 ARG 65 -24.839 -26.423 2.213 1452 2HH1 ARG 65 1HH2 ARG 65 -25.143 -26.358 0.497 1453 1HH2 ARG 65 2HH1 ARG 65 -21.832 -25.346 -0.287 1454 2HH2 ARG 65 1HH1 ARG 65 -23.392 -25.743 -0.951 1455 H ARG 66 H ARG 66 -18.818 -24.213 7.781 1456 HA ARG 66 HA ARG 66 -19.666 -21.543 8.008 1457 1HB ARG 66 1HB ARG 66 -17.231 -21.035 8.201 1458 2HB ARG 66 2HB ARG 66 -17.777 -22.329 9.266 1459 1HG ARG 66 1HG ARG 66 -16.763 -24.037 7.992 1460 2HG ARG 66 2HG ARG 66 -16.620 -23.036 6.560 1461 1HD ARG 66 1HD ARG 66 -15.023 -22.834 9.145 1462 2HD ARG 66 2HD ARG 66 -14.408 -23.358 7.578 1463 HE ARG 66 HE ARG 66 -14.519 -20.714 8.584 1464 1HH1 ARG 66 1HH2 ARG 66 -15.007 -22.429 5.548 1465 2HH1 ARG 66 2HH2 ARG 66 -15.173 -20.992 4.580 1466 1HH2 ARG 66 2HH1 ARG 66 -14.288 -18.862 7.320 1467 2HH2 ARG 66 1HH1 ARG 66 -14.421 -18.933 5.583 1468 H SER 67 H SER 67 -18.782 -19.645 6.896 1469 HA SER 67 HA SER 67 -18.667 -18.287 5.165 1470 1HB SER 67 1HB SER 67 -17.171 -18.704 3.317 1471 2HB SER 67 2HB SER 67 -16.462 -19.085 4.878 1472 HG SER 67 HG SER 67 -17.336 -21.358 4.175 1473 H ALA 68 H ALA 68 -18.525 -20.531 2.615 1474 HA ALA 68 HA ALA 68 -19.888 -20.862 0.817 1475 1HB ALA 68 1HB ALA 68 -22.049 -21.246 2.936 1476 2HB ALA 68 2HB ALA 68 -21.997 -21.972 1.315 1477 3HB ALA 68 3HB ALA 68 -20.806 -22.444 2.532 1478 H HIS 69 H HIS 69 -22.605 -20.308 0.293 1479 HA HIS 69 HA HIS 69 -22.484 -17.429 -0.183 1480 1HB HIS 69 1HB HIS 69 -24.655 -19.443 -0.840 1481 2HB HIS 69 2HB HIS 69 -24.490 -17.806 -1.492 1482 HD1 HIS 69 HD1 HIS 69 -21.509 -17.718 -2.374 1483 HD2 HIS 69 HD2 HIS 69 -23.990 -21.102 -2.749 1484 HE1 HIS 69 HE1 HIS 69 -20.442 -19.220 -4.141 1485 H ALA 70 H ALA 70 -23.432 -19.201 2.519 1486 HA ALA 70 HA ALA 70 -25.704 -17.610 3.371 1487 1HB ALA 70 1HB ALA 70 -25.254 -19.767 4.414 1488 2HB ALA 70 2HB ALA 70 -23.641 -19.232 4.917 1489 3HB ALA 70 3HB ALA 70 -25.084 -18.479 5.625 1490 H ARG 71 H ARG 71 -22.189 -17.595 4.273 1491 HA ARG 71 HA ARG 71 -22.368 -14.709 4.998 1492 1HB ARG 71 1HB ARG 71 -20.100 -16.709 4.970 1493 2HB ARG 71 2HB ARG 71 -19.853 -14.987 5.172 1494 1HG ARG 71 1HG ARG 71 -19.827 -16.081 7.324 1495 2HG ARG 71 2HG ARG 71 -21.118 -14.885 7.206 1496 1HD ARG 71 1HD ARG 71 -21.733 -16.970 8.426 1497 2HD ARG 71 2HD ARG 71 -22.806 -16.596 7.070 1498 HE ARG 71 HE ARG 71 -21.213 -18.218 5.770 1499 1HH1 ARG 71 2HH1 ARG 71 -22.276 -18.835 9.131 1500 2HH1 ARG 71 1HH1 ARG 71 -22.420 -20.556 8.813 1501 1HH2 ARG 71 2HH2 ARG 71 -21.553 -20.281 5.417 1502 2HH2 ARG 71 1HH2 ARG 71 -21.911 -21.431 6.689 1503 H LYS 72 H LYS 72 -23.272 -14.253 2.899 1504 HA LYS 72 HA LYS 72 -22.336 -14.711 0.402 1505 1HB LYS 72 1HB LYS 72 -23.408 -12.069 1.482 1506 2HB LYS 72 2HB LYS 72 -23.219 -12.446 -0.242 1507 1HG LYS 72 1HG LYS 72 -24.671 -14.425 0.018 1508 2HG LYS 72 2HG LYS 72 -24.966 -14.002 1.717 1509 1HD LYS 72 1HD LYS 72 -25.832 -11.735 0.867 1510 2HD LYS 72 2HD LYS 72 -25.749 -12.423 -0.768 1511 1HE LYS 72 1HE LYS 72 -27.409 -13.453 1.580 1512 2HE LYS 72 2HE LYS 72 -28.020 -12.646 0.125 1513 1HZ LYS 72 1HZ LYS 72 -26.664 -15.253 0.221 1514 2HZ LYS 72 2HZ LYS 72 -28.275 -15.000 -0.016 1515 3HZ LYS 72 3HZ LYS 72 -27.188 -14.506 -1.153 1516 H GLU 73 H GLU 73 -20.709 -12.642 2.702 1517 HA GLU 73 HA GLU 73 -18.937 -11.155 1.230 1518 1HB GLU 73 1HB GLU 73 -18.075 -12.849 3.610 1519 2HB GLU 73 2HB GLU 73 -17.375 -11.348 3.001 1520 1HG GLU 73 1HG GLU 73 -18.553 -10.494 4.747 1521 2HG GLU 73 2HG GLU 73 -19.793 -10.350 3.499 1522 H THR 74 H THR 74 -18.809 -14.679 1.794 1523 HA THR 74 HA THR 74 -16.434 -15.549 0.786 1524 HB THR 74 HB THR 74 -19.228 -16.600 0.209 1525 HG1 THR 74 HG1 THR 74 -19.274 -16.883 2.228 1526 1HG2 THR 74 1HG2 THR 74 -18.189 -18.844 0.273 1527 2HG2 THR 74 2HG2 THR 74 -17.602 -17.882 -1.089 1528 3HG2 THR 74 3HG2 THR 74 -16.582 -18.106 0.355 1529 H GLU 75 H GLU 75 -19.216 -14.395 -1.226 1530 HA GLU 75 HA GLU 75 -18.311 -15.255 -3.734 1531 1HB GLU 75 1HB GLU 75 -19.936 -12.832 -2.879 1532 2HB GLU 75 2HB GLU 75 -19.480 -13.098 -4.557 1533 1HG GLU 75 1HG GLU 75 -21.632 -13.990 -4.366 1534 2HG GLU 75 2HG GLU 75 -20.546 -15.372 -4.485 1535 H PHE 76 H PHE 76 -17.160 -12.603 -1.752 1536 HA PHE 76 HA PHE 76 -15.338 -11.629 -3.895 1537 1HB PHE 76 1HB PHE 76 -15.905 -10.289 -1.254 1538 2HB PHE 76 2HB PHE 76 -15.406 -9.560 -2.763 1539 HD1 PHE 76 HD1 PHE 76 -17.199 -9.884 -4.805 1540 HD2 PHE 76 HD2 PHE 76 -18.125 -10.223 -0.615 1541 HE1 PHE 76 HE1 PHE 76 -19.615 -9.879 -5.333 1542 HE2 PHE 76 HE2 PHE 76 -20.548 -10.275 -1.152 1543 HZ PHE 76 HZ PHE 76 -21.297 -10.085 -3.500 1544 H LEU 77 H LEU 77 -15.460 -12.586 -0.438 1545 HA LEU 77 HA LEU 77 -12.602 -12.270 -0.091 1546 1HB LEU 77 1HB LEU 77 -14.646 -13.528 1.765 1547 2HB LEU 77 2HB LEU 77 -13.004 -13.028 2.183 1548 HG LEU 77 HG LEU 77 -15.323 -11.210 1.415 1549 1HD1 LEU 77 1HD1 LEU 77 -13.672 -11.427 3.968 1550 2HD1 LEU 77 2HD1 LEU 77 -15.089 -10.391 3.697 1551 3HD1 LEU 77 3HD1 LEU 77 -15.272 -12.157 3.736 1552 1HD2 LEU 77 1HD2 LEU 77 -13.323 -10.184 0.458 1553 2HD2 LEU 77 2HD2 LEU 77 -13.771 -9.320 1.928 1554 3HD2 LEU 77 3HD2 LEU 77 -12.416 -10.464 1.964 1555 H ARG 78 H ARG 78 -14.368 -14.882 -1.472 1556 HA ARG 78 HA ARG 78 -12.955 -17.129 -0.715 1557 1HB ARG 78 1HB ARG 78 -14.045 -16.156 -3.314 1558 2HB ARG 78 2HB ARG 78 -12.917 -17.514 -3.385 1559 1HG ARG 78 1HG ARG 78 -14.174 -18.860 -1.853 1560 2HG ARG 78 2HG ARG 78 -15.267 -17.530 -1.477 1561 1HD ARG 78 1HD ARG 78 -14.973 -18.955 -4.141 1562 2HD ARG 78 2HD ARG 78 -16.343 -19.079 -3.012 1563 HE ARG 78 HE ARG 78 -16.194 -16.389 -3.503 1564 1HH1 ARG 78 2HH1 ARG 78 -16.659 -19.239 -5.539 1565 2HH1 ARG 78 1HH1 ARG 78 -17.135 -18.334 -6.953 1566 1HH2 ARG 78 1HH2 ARG 78 -16.672 -15.171 -5.419 1567 2HH2 ARG 78 2HH2 ARG 78 -17.202 -16.003 -6.859 1568 H LEU 79 H LEU 79 -11.634 -14.403 -2.660 1569 HA LEU 79 HA LEU 79 -9.193 -15.622 -3.404 1570 1HB LEU 79 1HB LEU 79 -9.973 -12.751 -2.822 1571 2HB LEU 79 2HB LEU 79 -8.299 -13.208 -3.159 1572 HG LEU 79 HG LEU 79 -8.996 -14.272 -5.302 1573 1HD1 LEU 79 1HD1 LEU 79 -11.389 -14.697 -4.919 1574 2HD1 LEU 79 2HD1 LEU 79 -11.168 -13.623 -6.293 1575 3HD1 LEU 79 3HD1 LEU 79 -11.687 -12.949 -4.736 1576 1HD2 LEU 79 1HD2 LEU 79 -8.046 -12.011 -5.209 1577 2HD2 LEU 79 2HD2 LEU 79 -9.667 -11.329 -4.951 1578 3HD2 LEU 79 3HD2 LEU 79 -9.264 -12.139 -6.487 1579 H LYS 80 H LYS 80 -10.138 -14.153 -0.267 1580 HA LYS 80 HA LYS 80 -7.451 -14.366 0.848 1581 1HB LYS 80 1HB LYS 80 -10.142 -13.990 2.224 1582 2HB LYS 80 2HB LYS 80 -8.543 -13.874 2.974 1583 1HG LYS 80 1HG LYS 80 -7.957 -12.030 1.373 1584 2HG LYS 80 2HG LYS 80 -9.619 -12.081 0.746 1585 1HD LYS 80 1HD LYS 80 -10.494 -11.586 3.017 1586 2HD LYS 80 2HD LYS 80 -8.837 -11.565 3.653 1587 1HE LYS 80 1HE LYS 80 -8.269 -9.663 2.165 1588 2HE LYS 80 2HE LYS 80 -9.918 -9.666 1.511 1589 1HZ LYS 80 1HZ LYS 80 -9.206 -9.212 4.324 1590 2HZ LYS 80 2HZ LYS 80 -9.591 -8.041 3.238 1591 3HZ LYS 80 3HZ LYS 80 -10.726 -9.152 3.687 1592 H ARG 81 H ARG 81 -10.519 -16.236 1.076 1593 HA ARG 81 HA ARG 81 -9.558 -18.180 2.902 1594 1HB ARG 81 1HB ARG 81 -11.529 -18.747 0.650 1595 2HB ARG 81 2HB ARG 81 -11.329 -19.614 2.181 1596 1HG ARG 81 1HG ARG 81 -11.902 -17.343 3.318 1597 2HG ARG 81 2HG ARG 81 -12.467 -16.836 1.717 1598 1HD ARG 81 1HD ARG 81 -13.812 -19.076 1.724 1599 2HD ARG 81 2HD ARG 81 -13.558 -19.070 3.466 1600 HE ARG 81 HE ARG 81 -15.443 -17.580 1.922 1601 1HH1 ARG 81 2HH2 ARG 81 -13.339 -16.977 4.685 1602 2HH1 ARG 81 1HH2 ARG 81 -14.477 -15.932 5.492 1603 1HH2 ARG 81 1HH1 ARG 81 -16.969 -16.302 2.975 1604 2HH2 ARG 81 2HH1 ARG 81 -16.540 -15.464 4.445 1605 H THR 82 H THR 82 -9.525 -18.256 -0.673 1606 HA THR 82 HA THR 82 -8.075 -20.703 -0.908 1607 HB THR 82 HB THR 82 -7.551 -19.912 -3.211 1608 HG1 THR 82 HG1 THR 82 -9.168 -17.692 -2.481 1609 1HG2 THR 82 1HG2 THR 82 -10.478 -19.684 -2.368 1610 2HG2 THR 82 2HG2 THR 82 -9.875 -19.948 -4.016 1611 3HG2 THR 82 3HG2 THR 82 -9.607 -21.179 -2.767 1612 H ARG 83 H ARG 83 -6.864 -17.237 -0.834 1613 HA ARG 83 HA ARG 83 -4.196 -18.067 -1.220 1614 1HB ARG 83 1HB ARG 83 -3.511 -15.984 -0.888 1615 2HB ARG 83 2HB ARG 83 -5.202 -15.648 -1.166 1616 1HG ARG 83 1HG ARG 83 -4.714 -14.311 0.641 1617 2HG ARG 83 2HG ARG 83 -5.364 -15.683 1.493 1618 1HD ARG 83 1HD ARG 83 -3.144 -16.404 2.176 1619 2HD ARG 83 2HD ARG 83 -2.380 -15.368 0.965 1620 HE ARG 83 HE ARG 83 -3.827 -13.670 2.632 1621 1HH1 ARG 83 1HH1 ARG 83 -1.186 -16.043 3.010 1622 2HH1 ARG 83 2HH1 ARG 83 -0.325 -15.065 4.152 1623 1HH2 ARG 83 1HH2 ARG 83 -2.714 -12.453 4.207 1624 2HH2 ARG 83 2HH2 ARG 83 -1.237 -13.054 4.910 1625 H LEU 84 H LEU 84 -6.120 -17.963 1.814 1626 HA LEU 84 HA LEU 84 -3.905 -18.696 3.522 1627 1HB LEU 84 1HB LEU 84 -6.909 -18.750 3.737 1628 2HB LEU 84 2HB LEU 84 -6.001 -19.855 4.765 1629 HG LEU 84 HG LEU 84 -4.655 -17.991 5.661 1630 1HD1 LEU 84 1HD1 LEU 84 -5.398 -15.668 5.338 1631 2HD1 LEU 84 2HD1 LEU 84 -4.885 -16.365 3.798 1632 3HD1 LEU 84 3HD1 LEU 84 -6.617 -16.196 4.162 1633 1HD2 LEU 84 1HD2 LEU 84 -7.675 -17.676 5.929 1634 2HD2 LEU 84 2HD2 LEU 84 -6.658 -18.817 6.835 1635 3HD2 LEU 84 3HD2 LEU 84 -6.459 -17.073 7.075 1636 H GLY 85 H GLY 85 -6.194 -20.581 1.530 1637 1HA GLY 85 1HA GLY 85 -5.344 -23.197 2.178 1638 2HA GLY 85 2HA GLY 85 -5.978 -22.669 0.610 1639 H LEU 86 H LEU 86 -4.145 -21.062 -0.479 1640 HA LEU 86 HA LEU 86 -2.010 -22.806 -1.293 1641 1HB LEU 86 1HB LEU 86 -2.572 -19.831 -1.640 1642 2HB LEU 86 2HB LEU 86 -1.067 -20.540 -2.185 1643 HG LEU 86 HG LEU 86 -2.429 -20.343 -4.054 1644 1HD1 LEU 86 1HD1 LEU 86 -2.418 -22.521 -4.979 1645 2HD1 LEU 86 2HD1 LEU 86 -1.072 -22.445 -3.829 1646 3HD1 LEU 86 3HD1 LEU 86 -2.573 -23.301 -3.397 1647 1HD2 LEU 86 1HD2 LEU 86 -4.619 -21.928 -2.663 1648 2HD2 LEU 86 2HD2 LEU 86 -4.633 -20.190 -3.068 1649 3HD2 LEU 86 3HD2 LEU 86 -4.616 -21.399 -4.356 1650 H GLU 87 H GLU 87 -2.219 -20.230 1.028 1651 HA GLU 87 HA GLU 87 -0.933 -20.030 2.995 1652 1HB GLU 87 1HB GLU 87 0.754 -21.773 2.452 1653 2HB GLU 87 2HB GLU 87 1.519 -20.667 1.297 1654 1HG GLU 87 1HG GLU 87 1.958 -19.054 3.142 1655 2HG GLU 87 2HG GLU 87 1.208 -20.180 4.289 1656 1H LYS 62 H1 LYS 62 36.220 18.317 20.049 1657 2H LYS 62 H2 LYS 62 37.609 19.173 19.820 1658 3H LYS 62 H3 LYS 62 37.654 17.713 20.586 1659 HA LYS 62 HA LYS 62 36.948 18.167 17.781 1660 1HB LYS 62 1HB LYS 62 39.380 16.794 18.994 1661 2HB LYS 62 2HB LYS 62 39.017 16.933 17.270 1662 1HG LYS 62 1HG LYS 62 39.644 19.234 19.177 1663 2HG LYS 62 2HG LYS 62 40.719 18.528 17.970 1664 1HD LYS 62 1HD LYS 62 39.048 19.172 16.176 1665 2HD LYS 62 2HD LYS 62 38.148 20.082 17.403 1666 1HE LYS 62 1HE LYS 62 41.056 20.556 16.591 1667 2HE LYS 62 2HE LYS 62 39.664 21.535 16.106 1668 1HZ LYS 62 1HZ LYS 62 39.306 22.065 18.411 1669 2HZ LYS 62 2HZ LYS 62 40.625 21.180 18.856 1670 3HZ LYS 62 3HZ LYS 62 40.811 22.521 17.920 1671 H ARG 63 H ARG 63 34.893 17.101 18.334 1672 HA ARG 63 HA ARG 63 35.156 14.176 18.146 1673 1HB ARG 63 1HB ARG 63 34.619 15.115 20.593 1674 2HB ARG 63 2HB ARG 63 33.019 15.385 19.901 1675 1HG ARG 63 1HG ARG 63 32.922 13.244 20.910 1676 2HG ARG 63 2HG ARG 63 33.070 12.906 19.187 1677 1HD ARG 63 1HD ARG 63 34.537 11.415 20.332 1678 2HD ARG 63 2HD ARG 63 35.609 12.583 19.587 1679 HE ARG 63 HE ARG 63 34.830 12.325 22.452 1680 1HH1 ARG 63 2HH2 ARG 63 36.980 14.066 20.134 1681 2HH1 ARG 63 1HH2 ARG 63 38.147 14.390 21.368 1682 1HH2 ARG 63 2HH1 ARG 63 36.347 12.886 23.995 1683 2HH2 ARG 63 1HH1 ARG 63 37.764 13.805 23.576 1684 H LEU 64 H LEU 64 33.468 13.262 16.966 1685 HA LEU 64 HA LEU 64 31.789 13.049 15.516 1686 1HB LEU 64 1HB LEU 64 30.877 15.891 16.084 1687 2HB LEU 64 2HB LEU 64 29.962 14.599 15.320 1688 HG LEU 64 HG LEU 64 30.868 14.631 18.234 1689 1HD1 LEU 64 1HD1 LEU 64 29.064 16.227 17.706 1690 2HD1 LEU 64 2HD1 LEU 64 28.115 14.918 16.965 1691 3HD1 LEU 64 3HD1 LEU 64 28.476 14.886 18.705 1692 1HD2 LEU 64 1HD2 LEU 64 30.798 12.308 17.441 1693 2HD2 LEU 64 2HD2 LEU 64 29.380 12.630 18.441 1694 3HD2 LEU 64 3HD2 LEU 64 29.218 12.588 16.674 1695 H ARG 65 H ARG 65 30.952 13.849 13.436 1696 HA ARG 65 HA ARG 65 31.210 14.491 11.317 1697 1HB ARG 65 1HB ARG 65 32.167 16.741 12.188 1698 2HB ARG 65 2HB ARG 65 33.758 16.042 11.867 1699 1HG ARG 65 1HG ARG 65 32.387 15.460 9.509 1700 2HG ARG 65 2HG ARG 65 31.640 16.982 9.999 1701 1HD ARG 65 1HD ARG 65 33.498 17.486 8.563 1702 2HD ARG 65 2HD ARG 65 33.983 17.945 10.211 1703 HE ARG 65 HE ARG 65 34.774 15.239 9.717 1704 1HH1 ARG 65 2HH2 ARG 65 35.638 18.515 8.699 1705 2HH1 ARG 65 1HH2 ARG 65 37.278 18.088 8.289 1706 1HH2 ARG 65 2HH1 ARG 65 36.816 14.673 9.185 1707 2HH2 ARG 65 1HH1 ARG 65 37.989 15.830 8.576 1708 H ARG 66 H ARG 66 34.421 14.081 12.805 1709 HA ARG 66 HA ARG 66 36.191 12.718 12.354 1710 1HB ARG 66 1HB ARG 66 34.049 10.601 11.913 1711 2HB ARG 66 2HB ARG 66 35.734 10.336 12.382 1712 1HG ARG 66 1HG ARG 66 33.537 11.582 14.082 1713 2HG ARG 66 2HG ARG 66 34.253 9.982 14.231 1714 1HD ARG 66 1HD ARG 66 35.301 11.180 15.930 1715 2HD ARG 66 2HD ARG 66 36.516 11.185 14.637 1716 HE ARG 66 HE ARG 66 34.793 13.465 14.412 1717 1HH1 ARG 66 1HH2 ARG 66 37.339 12.340 16.614 1718 2HH1 ARG 66 2HH2 ARG 66 37.616 13.956 17.233 1719 1HH2 ARG 66 2HH1 ARG 66 35.341 15.453 14.964 1720 2HH2 ARG 66 1HH1 ARG 66 36.734 15.799 15.983 1721 H SER 67 H SER 67 35.453 10.276 10.314 1722 HA SER 67 HA SER 67 36.545 11.500 7.976 1723 1HB SER 67 1HB SER 67 35.119 8.825 8.236 1724 2HB SER 67 2HB SER 67 36.378 9.289 7.075 1725 HG SER 67 HG SER 67 37.251 8.095 8.834 1726 H ALA 68 H ALA 68 34.528 13.164 8.378 1727 HA ALA 68 HA ALA 68 32.593 14.083 7.621 1728 1HB ALA 68 1HB ALA 68 33.465 12.693 5.061 1729 2HB ALA 68 2HB ALA 68 32.371 14.086 5.183 1730 3HB ALA 68 3HB ALA 68 34.070 14.250 5.667 1731 H HIS 69 H HIS 69 31.672 12.203 9.158 1732 HA HIS 69 HA HIS 69 30.084 10.205 7.810 1733 1HB HIS 69 1HB HIS 69 29.265 9.609 9.980 1734 2HB HIS 69 2HB HIS 69 31.009 9.824 10.002 1735 HD1 HIS 69 HD1 HIS 69 28.026 12.169 10.846 1736 HD2 HIS 69 HD2 HIS 69 31.655 10.706 12.352 1737 HE1 HIS 69 HE1 HIS 69 28.301 13.175 13.192 1738 H ALA 70 H ALA 70 29.294 12.226 6.376 1739 HA ALA 70 HA ALA 70 27.265 13.933 7.326 1740 1HB ALA 70 1HB ALA 70 27.664 12.786 4.528 1741 2HB ALA 70 2HB ALA 70 26.677 14.205 4.936 1742 3HB ALA 70 3HB ALA 70 28.436 14.249 5.181 1743 H ARG 71 H ARG 71 25.035 13.777 7.471 1744 HA ARG 71 HA ARG 71 23.857 11.107 7.641 1745 1HB ARG 71 1HB ARG 71 22.591 13.858 7.905 1746 2HB ARG 71 2HB ARG 71 21.845 12.313 8.327 1747 1HG ARG 71 1HG ARG 71 24.267 13.563 9.711 1748 2HG ARG 71 2HG ARG 71 22.605 13.507 10.300 1749 1HD ARG 71 1HD ARG 71 23.663 11.767 11.452 1750 2HD ARG 71 2HD ARG 71 22.746 10.965 10.180 1751 HE ARG 71 HE ARG 71 25.653 11.667 9.842 1752 1HH1 ARG 71 2HH1 ARG 71 23.183 9.075 9.768 1753 2HH1 ARG 71 1HH1 ARG 71 24.375 7.844 9.483 1754 1HH2 ARG 71 2HH2 ARG 71 27.058 10.134 9.278 1755 2HH2 ARG 71 1HH2 ARG 71 26.618 8.443 9.112 1756 H LYS 72 H LYS 72 24.532 10.725 5.388 1757 HA LYS 72 HA LYS 72 23.489 11.782 3.060 1758 1HB LYS 72 1HB LYS 72 23.958 8.876 3.808 1759 2HB LYS 72 2HB LYS 72 23.686 9.441 2.149 1760 1HG LYS 72 1HG LYS 72 25.685 10.813 2.188 1761 2HG LYS 72 2HG LYS 72 25.948 10.499 3.908 1762 1HD LYS 72 1HD LYS 72 26.190 8.062 3.423 1763 2HD LYS 72 2HD LYS 72 26.081 8.434 1.683 1764 1HE LYS 72 1HE LYS 72 28.106 9.794 1.808 1765 2HE LYS 72 2HE LYS 72 28.179 9.598 3.572 1766 1HZ LYS 72 1HZ LYS 72 28.352 7.383 1.655 1767 2HZ LYS 72 2HZ LYS 72 29.645 8.104 2.393 1768 3HZ LYS 72 3HZ LYS 72 28.523 7.290 3.285 1769 H GLU 73 H GLU 73 21.819 9.736 5.381 1770 HA GLU 73 HA GLU 73 19.473 8.985 4.164 1771 1HB GLU 73 1HB GLU 73 19.525 10.308 6.913 1772 2HB GLU 73 2HB GLU 73 18.403 9.107 6.279 1773 1HG GLU 73 1HG GLU 73 19.706 7.793 7.630 1774 2HG GLU 73 2HG GLU 73 20.538 7.564 6.092 1775 H THR 74 H THR 74 20.258 12.302 5.347 1776 HA THR 74 HA THR 74 17.659 13.319 5.324 1777 HB THR 74 HB THR 74 18.755 15.528 5.241 1778 HG1 THR 74 HG1 THR 74 21.180 14.070 4.999 1779 1HG2 THR 74 1HG2 THR 74 20.031 15.303 7.335 1780 2HG2 THR 74 2HG2 THR 74 18.520 14.375 7.389 1781 3HG2 THR 74 3HG2 THR 74 20.066 13.539 7.146 1782 H GLU 75 H GLU 75 20.083 13.348 2.681 1783 HA GLU 75 HA GLU 75 18.833 14.966 0.829 1784 1HB GLU 75 1HB GLU 75 20.469 12.421 0.486 1785 2HB GLU 75 2HB GLU 75 19.851 13.309 -0.900 1786 1HG GLU 75 1HG GLU 75 22.144 13.997 -0.409 1787 2HG GLU 75 2HG GLU 75 21.007 15.341 -0.259 1788 H PHE 76 H PHE 76 18.048 11.609 1.610 1789 HA PHE 76 HA PHE 76 15.938 11.427 -0.435 1790 1HB PHE 76 1HB PHE 76 16.647 9.466 1.780 1791 2HB PHE 76 2HB PHE 76 15.723 9.159 0.319 1792 HD1 PHE 76 HD1 PHE 76 16.910 8.984 -1.897 1793 HD2 PHE 76 HD2 PHE 76 19.095 9.689 1.751 1794 HE1 PHE 76 HE1 PHE 76 19.027 8.538 -3.070 1795 HE2 PHE 76 HE2 PHE 76 21.214 9.259 0.561 1796 HZ PHE 76 HZ PHE 76 21.179 8.550 -1.822 1797 H LEU 77 H LEU 77 16.220 11.288 3.156 1798 HA LEU 77 HA LEU 77 13.412 11.094 3.550 1799 1HB LEU 77 1HB LEU 77 15.626 11.846 5.474 1800 2HB LEU 77 2HB LEU 77 13.949 11.547 5.953 1801 HG LEU 77 HG LEU 77 15.797 9.510 4.633 1802 1HD1 LEU 77 1HD1 LEU 77 15.778 8.419 6.811 1803 2HD1 LEU 77 2HD1 LEU 77 16.328 10.095 7.003 1804 3HD1 LEU 77 3HD1 LEU 77 14.673 9.648 7.460 1805 1HD2 LEU 77 1HD2 LEU 77 12.906 9.250 5.600 1806 2HD2 LEU 77 2HD2 LEU 77 13.518 8.946 3.960 1807 3HD2 LEU 77 3HD2 LEU 77 13.970 7.873 5.276 1808 H ARG 78 H ARG 78 15.195 13.952 2.783 1809 HA ARG 78 HA ARG 78 13.666 16.015 3.810 1810 1HB ARG 78 1HB ARG 78 14.758 15.489 1.064 1811 2HB ARG 78 2HB ARG 78 13.736 16.905 1.343 1812 1HG ARG 78 1HG ARG 78 15.147 17.725 3.145 1813 2HG ARG 78 2HG ARG 78 16.215 16.326 3.006 1814 1HD ARG 78 1HD ARG 78 15.712 18.463 0.904 1815 2HD ARG 78 2HD ARG 78 17.181 18.211 1.878 1816 HE ARG 78 HE ARG 78 16.780 15.788 0.602 1817 1HH1 ARG 78 2HH2 ARG 78 17.269 19.086 -0.565 1818 2HH1 ARG 78 1HH2 ARG 78 17.725 18.581 -2.173 1819 1HH2 ARG 78 1HH1 ARG 78 17.307 15.128 -1.396 1820 2HH2 ARG 78 2HH1 ARG 78 17.715 16.222 -2.693 1821 H LEU 79 H LEU 79 12.648 13.567 1.369 1822 HA LEU 79 HA LEU 79 10.252 14.684 0.540 1823 1HB LEU 79 1HB LEU 79 9.517 12.532 -0.102 1824 2HB LEU 79 2HB LEU 79 11.243 12.692 -0.384 1825 HG LEU 79 HG LEU 79 11.422 11.445 1.982 1826 1HD1 LEU 79 1HD1 LEU 79 8.769 10.406 0.850 1827 2HD1 LEU 79 2HD1 LEU 79 9.656 9.742 2.233 1828 3HD1 LEU 79 3HD1 LEU 79 8.897 11.330 2.350 1829 1HD2 LEU 79 1HD2 LEU 79 11.557 9.316 0.744 1830 2HD2 LEU 79 2HD2 LEU 79 10.688 10.040 -0.626 1831 3HD2 LEU 79 3HD2 LEU 79 12.304 10.618 -0.191 1832 H LYS 80 H LYS 80 10.893 13.026 3.659 1833 HA LYS 80 HA LYS 80 8.085 13.034 4.387 1834 1HB LYS 80 1HB LYS 80 8.633 11.875 6.244 1835 2HB LYS 80 2HB LYS 80 9.951 11.429 5.174 1836 1HG LYS 80 1HG LYS 80 11.125 11.829 7.090 1837 2HG LYS 80 2HG LYS 80 11.205 13.446 6.407 1838 1HD LYS 80 1HD LYS 80 9.091 13.987 7.844 1839 2HD LYS 80 2HD LYS 80 9.289 12.380 8.539 1840 1HE LYS 80 1HE LYS 80 10.297 13.992 10.024 1841 2HE LYS 80 2HE LYS 80 11.596 13.029 9.304 1842 1HZ LYS 80 1HZ LYS 80 11.983 14.829 7.774 1843 2HZ LYS 80 2HZ LYS 80 10.745 15.704 8.423 1844 3HZ LYS 80 3HZ LYS 80 12.083 15.370 9.325 1845 H ARG 81 H ARG 81 10.848 15.243 4.777 1846 HA ARG 81 HA ARG 81 9.575 16.845 6.797 1847 1HB ARG 81 1HB ARG 81 12.012 17.033 6.426 1848 2HB ARG 81 2HB ARG 81 11.728 17.614 4.780 1849 1HG ARG 81 1HG ARG 81 12.229 19.516 6.147 1850 2HG ARG 81 2HG ARG 81 10.538 19.616 5.685 1851 1HD ARG 81 1HD ARG 81 10.091 18.472 8.057 1852 2HD ARG 81 2HD ARG 81 11.757 18.922 8.373 1853 HE ARG 81 HE ARG 81 11.139 21.143 8.496 1854 1HH1 ARG 81 2HH1 ARG 81 8.420 19.411 6.943 1855 2HH1 ARG 81 1HH1 ARG 81 7.207 20.417 7.668 1856 1HH2 ARG 81 2HH2 ARG 81 9.549 22.647 9.149 1857 2HH2 ARG 81 1HH2 ARG 81 7.874 22.400 8.724 1858 H THR 82 H THR 82 9.745 17.011 3.186 1859 HA THR 82 HA THR 82 7.958 19.245 2.986 1860 HB THR 82 HB THR 82 7.577 18.216 0.630 1861 HG1 THR 82 HG1 THR 82 8.455 16.091 1.394 1862 1HG2 THR 82 1HG2 THR 82 9.112 20.106 1.087 1863 2HG2 THR 82 2HG2 THR 82 10.381 18.961 1.585 1864 3HG2 THR 82 3HG2 THR 82 9.814 18.986 -0.098 1865 H ARG 83 H ARG 83 7.334 15.686 3.241 1866 HA ARG 83 HA ARG 83 4.534 15.882 2.839 1867 1HB ARG 83 1HB ARG 83 5.953 13.771 3.082 1868 2HB ARG 83 2HB ARG 83 5.873 14.024 4.839 1869 1HG ARG 83 1HG ARG 83 3.348 14.033 4.644 1870 2HG ARG 83 2HG ARG 83 3.547 13.631 2.934 1871 1HD ARG 83 1HD ARG 83 3.255 11.504 3.969 1872 2HD ARG 83 2HD ARG 83 4.997 11.631 3.776 1873 HE ARG 83 HE ARG 83 5.276 11.720 6.054 1874 1HH1 ARG 83 1HH1 ARG 83 1.852 12.319 5.310 1875 2HH1 ARG 83 2HH1 ARG 83 1.330 12.131 6.960 1876 1HH2 ARG 83 2HH2 ARG 83 4.580 11.483 8.207 1877 2HH2 ARG 83 1HH2 ARG 83 2.899 11.662 8.632 1878 H LEU 84 H LEU 84 6.534 16.438 5.767 1879 HA LEU 84 HA LEU 84 4.203 17.344 7.326 1880 1HB LEU 84 1HB LEU 84 7.148 16.957 7.844 1881 2HB LEU 84 2HB LEU 84 6.215 17.960 8.940 1882 HG LEU 84 HG LEU 84 6.459 15.656 9.710 1883 1HD1 LEU 84 1HD1 LEU 84 3.545 16.407 9.227 1884 2HD1 LEU 84 2HD1 LEU 84 4.199 15.385 10.513 1885 3HD1 LEU 84 3HD1 LEU 84 4.596 17.110 10.473 1886 1HD2 LEU 84 1HD2 LEU 84 5.160 13.832 8.797 1887 2HD2 LEU 84 2HD2 LEU 84 4.543 14.843 7.481 1888 3HD2 LEU 84 3HD2 LEU 84 6.272 14.429 7.561 1889 H GLY 85 H GLY 85 4.989 18.745 4.772 1890 1HA GLY 85 1HA GLY 85 4.821 21.522 5.895 1891 2HA GLY 85 2HA GLY 85 5.672 21.119 4.388 1892 H LEU 86 H LEU 86 4.157 19.391 3.092 1893 HA LEU 86 HA LEU 86 1.821 20.734 2.108 1894 1HB LEU 86 1HB LEU 86 2.935 17.915 1.929 1895 2HB LEU 86 2HB LEU 86 1.405 18.341 1.172 1896 HG LEU 86 HG LEU 86 2.331 19.696 -0.427 1897 1HD1 LEU 86 1HD1 LEU 86 4.618 20.573 -0.514 1898 2HD1 LEU 86 2HD1 LEU 86 3.765 21.210 0.891 1899 3HD1 LEU 86 3HD1 LEU 86 4.970 19.913 1.089 1900 1HD2 LEU 86 1HD2 LEU 86 4.539 17.659 0.116 1901 2HD2 LEU 86 2HD2 LEU 86 2.961 17.269 -0.586 1902 3HD2 LEU 86 3HD2 LEU 86 4.083 18.350 -1.455 1903 H GLU 87 H GLU 87 2.244 17.940 4.344 1904 HA GLU 87 HA GLU 87 0.868 16.889 5.751 1905 1HB GLU 87 1HB GLU 87 -0.359 19.649 6.146 1906 2HB GLU 87 2HB GLU 87 -0.487 18.267 7.247 1907 1HG GLU 87 1HG GLU 87 2.010 18.250 7.468 1908 2HG GLU 87 2HG GLU 87 2.083 19.734 6.504 Start of MODEL 13 1 1H SER 1 1H SER 1 7.569 5.475 -14.007 2 2H SER 1 2H SER 1 7.013 4.781 -15.401 3 3H SER 1 3H SER 1 8.581 5.316 -15.301 4 HA SER 1 HA SER 1 8.585 2.974 -15.076 5 1HB SER 1 1HB SER 1 9.493 2.861 -12.664 6 2HB SER 1 2HB SER 1 10.286 4.008 -13.771 7 HG SER 1 HG SER 1 9.672 4.876 -11.651 8 H GLU 2 H GLU 2 7.853 1.085 -14.046 9 HA GLU 2 HA GLU 2 5.124 0.851 -13.989 10 1HB GLU 2 1HB GLU 2 7.010 -1.001 -12.475 11 2HB GLU 2 2HB GLU 2 5.396 -1.360 -13.081 12 1HG GLU 2 1HG GLU 2 6.695 -2.351 -14.692 13 2HG GLU 2 2HG GLU 2 6.407 -0.778 -15.444 14 H LEU 3 H LEU 3 7.209 0.893 -11.031 15 HA LEU 3 HA LEU 3 5.000 0.624 -9.243 16 1HB LEU 3 1HB LEU 3 7.618 2.046 -8.638 17 2HB LEU 3 2HB LEU 3 6.447 1.400 -7.472 18 HG LEU 3 HG LEU 3 8.226 -0.189 -9.358 19 1HD1 LEU 3 1HD1 LEU 3 9.248 -0.969 -7.295 20 2HD1 LEU 3 2HD1 LEU 3 9.244 0.801 -7.278 21 3HD1 LEU 3 3HD1 LEU 3 8.057 -0.094 -6.314 22 1HD2 LEU 3 1HD2 LEU 3 6.098 -1.396 -9.213 23 2HD2 LEU 3 2HD2 LEU 3 6.118 -1.226 -7.435 24 3HD2 LEU 3 3HD2 LEU 3 7.338 -2.215 -8.258 25 H GLU 4 H GLU 4 6.648 3.571 -10.449 26 HA GLU 4 HA GLU 4 5.095 5.395 -8.885 27 1HB GLU 4 1HB GLU 4 6.418 5.899 -11.570 28 2HB GLU 4 2HB GLU 4 5.977 7.114 -10.361 29 1HG GLU 4 1HG GLU 4 8.068 4.915 -9.931 30 2HG GLU 4 2HG GLU 4 8.415 6.547 -10.485 31 H LYS 5 H LYS 5 4.646 3.976 -12.102 32 HA LYS 5 HA LYS 5 2.417 5.551 -12.895 33 1HB LYS 5 1HB LYS 5 3.764 4.235 -14.483 34 2HB LYS 5 2HB LYS 5 3.236 2.746 -13.721 35 1HG LYS 5 1HG LYS 5 2.029 3.177 -15.807 36 2HG LYS 5 2HG LYS 5 0.958 3.058 -14.421 37 1HD LYS 5 1HD LYS 5 0.199 4.779 -15.895 38 2HD LYS 5 2HD LYS 5 0.671 5.533 -14.384 39 1HE LYS 5 1HE LYS 5 2.530 5.392 -16.819 40 2HE LYS 5 2HE LYS 5 1.321 6.668 -16.623 41 1HZ LYS 5 1HZ LYS 5 2.345 7.296 -14.579 42 2HZ LYS 5 2HZ LYS 5 3.510 6.146 -14.752 43 3HZ LYS 5 3HZ LYS 5 3.410 7.382 -15.830 44 H ALA 6 H ALA 6 2.642 2.293 -11.433 45 HA ALA 6 HA ALA 6 -0.079 1.755 -11.011 46 1HB ALA 6 1HB ALA 6 2.385 1.064 -9.345 47 2HB ALA 6 2HB ALA 6 0.806 0.297 -9.142 48 3HB ALA 6 3HB ALA 6 1.701 0.115 -10.666 49 H VAL 7 H VAL 7 2.252 3.344 -8.810 50 HA VAL 7 HA VAL 7 0.501 3.949 -6.712 51 HB VAL 7 HB VAL 7 3.108 5.085 -7.729 52 1HG1 VAL 7 1HG1 VAL 7 2.157 7.018 -6.704 53 2HG1 VAL 7 2HG1 VAL 7 1.622 6.070 -5.291 54 3HG1 VAL 7 3HG1 VAL 7 3.354 6.294 -5.612 55 1HG2 VAL 7 1HG2 VAL 7 2.999 2.814 -6.621 56 2HG2 VAL 7 2HG2 VAL 7 3.989 3.983 -5.733 57 3HG2 VAL 7 3HG2 VAL 7 2.346 3.597 -5.183 58 H VAL 8 H VAL 8 1.397 6.208 -9.454 59 HA VAL 8 HA VAL 8 -0.490 8.153 -8.534 60 HB VAL 8 HB VAL 8 -0.342 9.263 -10.638 61 1HG1 VAL 8 1HG1 VAL 8 1.434 9.578 -8.967 62 2HG1 VAL 8 2HG1 VAL 8 2.396 8.299 -9.747 63 3HG1 VAL 8 3HG1 VAL 8 2.028 9.794 -10.622 64 1HG2 VAL 8 1HG2 VAL 8 1.303 6.942 -11.649 65 2HG2 VAL 8 2HG2 VAL 8 -0.307 7.400 -12.238 66 3HG2 VAL 8 3HG2 VAL 8 1.071 8.482 -12.485 67 H ALA 9 H ALA 9 -0.903 5.319 -10.703 68 HA ALA 9 HA ALA 9 -3.532 5.966 -11.531 69 1HB ALA 9 1HB ALA 9 -2.212 4.129 -12.509 70 2HB ALA 9 2HB ALA 9 -2.422 3.181 -11.024 71 3HB ALA 9 3HB ALA 9 -3.830 3.615 -11.999 72 H LEU 10 H LEU 10 -2.439 4.193 -8.541 73 HA LEU 10 HA LEU 10 -5.053 3.677 -7.539 74 1HB LEU 10 1HB LEU 10 -2.579 4.387 -5.900 75 2HB LEU 10 2HB LEU 10 -4.046 3.606 -5.316 76 HG LEU 10 HG LEU 10 -1.961 2.419 -7.176 77 1HD1 LEU 10 1HD1 LEU 10 -1.372 2.544 -4.791 78 2HD1 LEU 10 2HD1 LEU 10 -2.880 1.697 -4.375 79 3HD1 LEU 10 3HD1 LEU 10 -1.618 0.866 -5.311 80 1HD2 LEU 10 1HD2 LEU 10 -4.111 1.564 -7.929 81 2HD2 LEU 10 2HD2 LEU 10 -3.272 0.310 -7.011 82 3HD2 LEU 10 3HD2 LEU 10 -4.594 1.213 -6.244 83 H ILE 11 H ILE 11 -2.893 6.480 -6.995 84 HA ILE 11 HA ILE 11 -4.647 7.891 -5.250 85 HB ILE 11 HB ILE 11 -2.449 8.838 -7.134 86 1HG1 ILE 11 1HG1 ILE 11 -2.480 8.448 -4.110 87 2HG1 ILE 11 2HG1 ILE 11 -1.867 7.250 -5.247 88 1HG2 ILE 11 1HG2 ILE 11 -2.419 10.948 -5.836 89 2HG2 ILE 11 2HG2 ILE 11 -3.943 10.755 -6.672 90 3HG2 ILE 11 3HG2 ILE 11 -3.852 10.417 -4.933 91 1HD1 ILE 11 1HD1 ILE 11 -0.197 8.892 -6.091 92 2HD1 ILE 11 2HD1 ILE 11 -0.717 10.027 -4.825 93 3HD1 ILE 11 3HD1 ILE 11 -0.005 8.477 -4.378 94 H ASP 12 H ASP 12 -4.137 8.248 -8.785 95 HA ASP 12 HA ASP 12 -5.955 10.381 -9.107 96 1HB ASP 12 1HB ASP 12 -4.211 9.840 -10.749 97 2HB ASP 12 2HB ASP 12 -5.020 8.315 -11.146 98 H VAL 13 H VAL 13 -6.392 6.846 -9.703 99 HA VAL 13 HA VAL 13 -9.093 7.016 -10.573 100 HB VAL 13 HB VAL 13 -7.526 4.781 -9.240 101 1HG1 VAL 13 1HG1 VAL 13 -10.307 4.706 -10.503 102 2HG1 VAL 13 2HG1 VAL 13 -9.326 3.277 -10.132 103 3HG1 VAL 13 3HG1 VAL 13 -9.903 4.309 -8.819 104 1HG2 VAL 13 1HG2 VAL 13 -6.831 5.608 -11.546 105 2HG2 VAL 13 2HG2 VAL 13 -7.422 3.942 -11.536 106 3HG2 VAL 13 3HG2 VAL 13 -8.480 5.264 -12.093 107 H PHE 14 H PHE 14 -7.737 6.354 -7.277 108 HA PHE 14 HA PHE 14 -10.183 6.268 -5.903 109 1HB PHE 14 1HB PHE 14 -8.007 5.792 -4.875 110 2HB PHE 14 2HB PHE 14 -7.537 7.481 -5.015 111 HD1 PHE 14 HD1 PHE 14 -9.509 5.046 -3.118 112 HD2 PHE 14 HD2 PHE 14 -8.731 9.261 -3.657 113 HE1 PHE 14 HE1 PHE 14 -10.368 5.513 -0.836 114 HE2 PHE 14 HE2 PHE 14 -9.654 9.715 -1.436 115 HZ PHE 14 HZ PHE 14 -10.375 7.825 0.041 116 H HIS 15 H HIS 15 -8.163 9.149 -6.667 117 HA HIS 15 HA HIS 15 -9.748 11.118 -5.509 118 1HB HIS 15 1HB HIS 15 -7.425 11.278 -6.482 119 2HB HIS 15 2HB HIS 15 -8.187 11.535 -8.052 120 HD1 HIS 15 HD1 HIS 15 -7.542 13.236 -4.676 121 HD2 HIS 15 HD2 HIS 15 -9.301 13.952 -8.449 122 HE1 HIS 15 HE1 HIS 15 -7.710 15.749 -4.947 123 H GLN 16 H GLN 16 -10.028 9.675 -8.806 124 HA GLN 16 HA GLN 16 -12.035 11.429 -9.767 125 1HB GLN 16 1HB GLN 16 -11.874 8.460 -10.445 126 2HB GLN 16 2HB GLN 16 -12.688 9.738 -11.342 127 1HG GLN 16 1HG GLN 16 -9.754 9.128 -11.201 128 2HG GLN 16 2HG GLN 16 -10.790 9.354 -12.589 129 1HE2 GLN 16 1HE2 GLN 16 -8.719 10.913 -10.280 130 2HE2 GLN 16 2HE2 GLN 16 -8.807 12.529 -10.989 131 H TYR 17 H TYR 17 -12.401 8.411 -7.876 132 HA TYR 17 HA TYR 17 -15.334 8.600 -7.842 133 1HB TYR 17 1HB TYR 17 -13.365 6.812 -6.415 134 2HB TYR 17 2HB TYR 17 -15.100 6.777 -6.123 135 HD1 TYR 17 HD1 TYR 17 -16.574 5.555 -7.547 136 HD2 TYR 17 HD2 TYR 17 -12.568 6.403 -8.856 137 HE1 TYR 17 HE1 TYR 17 -16.876 4.044 -9.499 138 HE2 TYR 17 HE2 TYR 17 -12.871 4.909 -10.797 139 HH TYR 17 HH TYR 17 -15.912 3.140 -11.384 140 H SER 18 H SER 18 -12.808 9.099 -5.357 141 HA SER 18 HA SER 18 -14.601 9.841 -3.267 142 1HB SER 18 1HB SER 18 -12.529 10.818 -2.230 143 2HB SER 18 2HB SER 18 -12.342 9.126 -2.752 144 HG SER 18 HG SER 18 -11.207 9.797 -4.494 145 H GLY 19 H GLY 19 -13.273 11.759 -5.949 146 1HA GLY 19 1HA GLY 19 -13.821 14.354 -4.923 147 2HA GLY 19 2HA GLY 19 -13.786 13.858 -6.626 148 H ARG 20 H ARG 20 -15.936 11.766 -6.221 149 HA ARG 20 HA ARG 20 -18.084 13.635 -6.843 150 1HB ARG 20 1HB ARG 20 -18.281 10.607 -6.778 151 2HB ARG 20 2HB ARG 20 -19.281 11.783 -7.643 152 1HG ARG 20 1HG ARG 20 -16.861 12.459 -8.679 153 2HG ARG 20 2HG ARG 20 -16.494 10.813 -8.175 154 1HD ARG 20 1HD ARG 20 -18.909 11.431 -9.910 155 2HD ARG 20 2HD ARG 20 -17.317 11.169 -10.601 156 HE ARG 20 HE ARG 20 -19.084 9.169 -9.407 157 1HH1 ARG 20 2HH1 ARG 20 -15.663 9.858 -10.040 158 2HH1 ARG 20 1HH1 ARG 20 -15.307 8.243 -10.589 159 1HH2 ARG 20 1HH2 ARG 20 -18.508 6.965 -9.782 160 2HH2 ARG 20 2HH2 ARG 20 -16.914 6.581 -10.352 161 H GLU 21 H GLU 21 -17.657 10.950 -4.450 162 HA GLU 21 HA GLU 21 -19.055 12.670 -2.510 163 1HB GLU 21 1HB GLU 21 -20.018 9.821 -2.753 164 2HB GLU 21 2HB GLU 21 -20.634 11.146 -1.755 165 1HG GLU 21 1HG GLU 21 -21.433 12.323 -3.757 166 2HG GLU 21 2HG GLU 21 -20.860 10.990 -4.780 167 H GLY 22 H GLY 22 -17.301 12.937 -1.353 168 1HA GLY 22 1HA GLY 22 -16.675 11.763 0.871 169 2HA GLY 22 2HA GLY 22 -15.837 10.622 -0.175 170 H ASP 23 H ASP 23 -16.207 14.158 -0.473 171 HA ASP 23 HA ASP 23 -14.681 15.818 -0.792 172 1HB ASP 23 1HB ASP 23 -13.670 16.383 1.360 173 2HB ASP 23 2HB ASP 23 -15.316 15.788 1.558 174 H LYS 24 H LYS 24 -13.562 13.628 -2.265 175 HA LYS 24 HA LYS 24 -11.661 13.284 -3.443 176 1HB LYS 24 1HB LYS 24 -10.385 15.528 -1.854 177 2HB LYS 24 2HB LYS 24 -9.771 14.792 -3.327 178 1HG LYS 24 1HG LYS 24 -11.369 15.802 -4.694 179 2HG LYS 24 2HG LYS 24 -12.514 16.059 -3.373 180 1HD LYS 24 1HD LYS 24 -11.510 18.188 -4.030 181 2HD LYS 24 2HD LYS 24 -11.104 17.763 -2.360 182 1HE LYS 24 1HE LYS 24 -8.859 16.944 -3.146 183 2HE LYS 24 2HE LYS 24 -9.282 17.471 -4.794 184 1HZ LYS 24 1HZ LYS 24 -9.381 19.687 -4.003 185 2HZ LYS 24 2HZ LYS 24 -9.160 19.212 -2.438 186 3HZ LYS 24 3HZ LYS 24 -7.943 19.021 -3.525 187 H HIS 25 H HIS 25 -11.275 13.345 0.065 188 HA HIS 25 HA HIS 25 -8.884 11.619 -0.063 189 1HB HIS 25 1HB HIS 25 -8.961 13.770 1.212 190 2HB HIS 25 2HB HIS 25 -10.183 13.058 2.267 191 HD1 HIS 25 HD1 HIS 25 -6.875 11.347 1.093 192 HD2 HIS 25 HD2 HIS 25 -8.764 12.976 4.490 193 HE1 HIS 25 HE1 HIS 25 -5.391 10.805 3.091 194 H LYS 26 H LYS 26 -12.304 11.198 0.337 195 HA LYS 26 HA LYS 26 -11.889 8.578 1.651 196 1HB LYS 26 1HB LYS 26 -14.175 10.446 2.347 197 2HB LYS 26 2HB LYS 26 -13.652 8.976 3.188 198 1HG LYS 26 1HG LYS 26 -11.479 10.219 3.748 199 2HG LYS 26 2HG LYS 26 -12.239 11.672 3.065 200 1HD LYS 26 1HD LYS 26 -14.058 11.528 4.713 201 2HD LYS 26 2HD LYS 26 -13.359 10.040 5.383 202 1HE LYS 26 1HE LYS 26 -12.809 11.973 6.777 203 2HE LYS 26 2HE LYS 26 -11.339 11.277 6.078 204 1HZ LYS 26 1HZ LYS 26 -11.400 13.674 5.960 205 2HZ LYS 26 2HZ LYS 26 -11.357 13.018 4.450 206 3HZ LYS 26 3HZ LYS 26 -12.765 13.630 5.037 207 H LEU 27 H LEU 27 -13.832 7.136 1.409 208 HA LEU 27 HA LEU 27 -15.394 7.682 -1.116 209 1HB LEU 27 1HB LEU 27 -14.231 5.115 0.028 210 2HB LEU 27 2HB LEU 27 -15.432 5.132 -1.255 211 HG LEU 27 HG LEU 27 -12.677 6.415 -1.441 212 1HD1 LEU 27 1HD1 LEU 27 -12.602 3.933 -1.253 213 2HD1 LEU 27 2HD1 LEU 27 -13.788 3.811 -2.575 214 3HD1 LEU 27 3HD1 LEU 27 -12.159 4.450 -2.892 215 1HD2 LEU 27 1HD2 LEU 27 -14.304 7.451 -3.029 216 2HD2 LEU 27 2HD2 LEU 27 -13.089 6.478 -3.869 217 3HD2 LEU 27 3HD2 LEU 27 -14.723 5.831 -3.627 218 H LYS 28 H LYS 28 -17.544 7.920 -0.706 219 HA LYS 28 HA LYS 28 -18.808 6.939 1.725 220 1HB LYS 28 1HB LYS 28 -19.827 7.892 -0.962 221 2HB LYS 28 2HB LYS 28 -20.904 7.466 0.368 222 1HG LYS 28 1HG LYS 28 -18.671 9.395 0.945 223 2HG LYS 28 2HG LYS 28 -19.967 9.937 -0.099 224 1HD LYS 28 1HD LYS 28 -20.325 8.827 2.730 225 2HD LYS 28 2HD LYS 28 -20.294 10.536 2.302 226 1HE LYS 28 1HE LYS 28 -22.440 8.499 1.543 227 2HE LYS 28 2HE LYS 28 -22.584 9.903 2.597 228 1HZ LYS 28 1HZ LYS 28 -23.502 10.364 0.485 229 2HZ LYS 28 2HZ LYS 28 -22.155 11.291 0.677 230 3HZ LYS 28 3HZ LYS 28 -22.114 9.960 -0.300 231 H LYS 29 H LYS 29 -20.588 5.312 1.696 232 HA LYS 29 HA LYS 29 -19.905 2.816 0.611 233 1HB LYS 29 1HB LYS 29 -21.946 2.023 1.417 234 2HB LYS 29 2HB LYS 29 -21.447 3.252 2.564 235 1HG LYS 29 1HG LYS 29 -23.592 3.617 0.417 236 2HG LYS 29 2HG LYS 29 -23.841 3.206 2.109 237 1HD LYS 29 1HD LYS 29 -22.793 5.377 2.798 238 2HD LYS 29 2HD LYS 29 -22.626 5.811 1.083 239 1HE LYS 29 1HE LYS 29 -24.600 6.879 1.959 240 2HE LYS 29 2HE LYS 29 -25.077 5.650 0.780 241 1HZ LYS 29 1HZ LYS 29 -26.422 5.620 2.756 242 2HZ LYS 29 2HZ LYS 29 -25.606 4.199 2.602 243 3HZ LYS 29 3HZ LYS 29 -25.108 5.320 3.703 244 H SER 30 H SER 30 -21.715 5.478 -0.836 245 HA SER 30 HA SER 30 -22.888 4.073 -3.022 246 1HB SER 30 1HB SER 30 -22.704 6.592 -3.888 247 2HB SER 30 2HB SER 30 -23.823 6.163 -2.578 248 HG SER 30 HG SER 30 -22.370 8.006 -2.163 249 H GLU 31 H GLU 31 -19.791 5.989 -2.569 250 HA GLU 31 HA GLU 31 -18.986 5.467 -5.302 251 1HB GLU 31 1HB GLU 31 -17.351 6.402 -2.904 252 2HB GLU 31 2HB GLU 31 -16.819 6.399 -4.591 253 1HG GLU 31 1HG GLU 31 -19.159 7.969 -3.471 254 2HG GLU 31 2HG GLU 31 -17.587 8.639 -3.930 255 H LEU 32 H LEU 32 -18.220 3.967 -2.176 256 HA LEU 32 HA LEU 32 -16.019 2.511 -2.962 257 1HB LEU 32 1HB LEU 32 -16.784 2.879 -0.657 258 2HB LEU 32 2HB LEU 32 -18.101 1.714 -0.877 259 HG LEU 32 HG LEU 32 -16.019 0.985 0.408 260 1HD1 LEU 32 1HD1 LEU 32 -16.817 -0.804 -1.904 261 2HD1 LEU 32 2HD1 LEU 32 -16.006 -1.281 -0.403 262 3HD1 LEU 32 3HD1 LEU 32 -17.650 -0.637 -0.344 263 1HD2 LEU 32 1HD2 LEU 32 -14.060 0.238 -0.756 264 2HD2 LEU 32 2HD2 LEU 32 -14.696 0.803 -2.309 265 3HD2 LEU 32 3HD2 LEU 32 -14.315 1.969 -1.023 266 H LYS 33 H LYS 33 -19.463 1.340 -2.986 267 HA LYS 33 HA LYS 33 -18.809 -1.220 -3.972 268 1HB LYS 33 1HB LYS 33 -21.138 -1.489 -4.463 269 2HB LYS 33 2HB LYS 33 -20.844 -0.539 -3.006 270 1HG LYS 33 1HG LYS 33 -22.531 0.667 -3.718 271 2HG LYS 33 2HG LYS 33 -21.238 1.548 -4.514 272 1HD LYS 33 1HD LYS 33 -21.754 0.264 -6.650 273 2HD LYS 33 2HD LYS 33 -22.950 -0.678 -5.750 274 1HE LYS 33 1HE LYS 33 -24.114 1.041 -6.958 275 2HE LYS 33 2HE LYS 33 -24.196 1.412 -5.224 276 1HZ LYS 33 1HZ LYS 33 -22.378 2.984 -5.570 277 2HZ LYS 33 2HZ LYS 33 -22.379 2.653 -7.180 278 3HZ LYS 33 3HZ LYS 33 -23.693 3.355 -6.488 279 H GLU 34 H GLU 34 -19.604 1.707 -5.821 280 HA GLU 34 HA GLU 34 -19.425 0.336 -8.371 281 1HB GLU 34 1HB GLU 34 -19.322 2.549 -9.439 282 2HB GLU 34 2HB GLU 34 -20.728 2.256 -8.414 283 1HG GLU 34 1HG GLU 34 -19.678 3.588 -6.606 284 2HG GLU 34 2HG GLU 34 -18.304 3.938 -7.651 285 H LEU 35 H LEU 35 -17.069 2.304 -6.524 286 HA LEU 35 HA LEU 35 -14.853 2.149 -8.242 287 1HB LEU 35 1HB LEU 35 -14.909 3.505 -6.266 288 2HB LEU 35 2HB LEU 35 -15.142 2.124 -5.221 289 HG LEU 35 HG LEU 35 -12.965 3.129 -5.011 290 1HD1 LEU 35 1HD1 LEU 35 -12.484 0.362 -6.141 291 2HD1 LEU 35 2HD1 LEU 35 -11.674 1.196 -4.823 292 3HD1 LEU 35 3HD1 LEU 35 -13.336 0.661 -4.601 293 1HD2 LEU 35 1HD2 LEU 35 -11.214 2.937 -6.693 294 2HD2 LEU 35 2HD2 LEU 35 -12.380 2.243 -7.850 295 3HD2 LEU 35 3HD2 LEU 35 -12.568 3.915 -7.282 296 H ILE 36 H ILE 36 -15.817 -0.223 -5.672 297 HA ILE 36 HA ILE 36 -13.719 -2.043 -6.345 298 HB ILE 36 HB ILE 36 -16.340 -2.556 -4.950 299 1HG1 ILE 36 1HG1 ILE 36 -14.910 -0.890 -3.788 300 2HG1 ILE 36 2HG1 ILE 36 -15.272 -2.341 -2.865 301 1HG2 ILE 36 1HG2 ILE 36 -13.794 -4.247 -5.085 302 2HG2 ILE 36 2HG2 ILE 36 -15.134 -4.556 -3.971 303 3HG2 ILE 36 3HG2 ILE 36 -15.378 -4.699 -5.719 304 1HD1 ILE 36 1HD1 ILE 36 -12.628 -1.776 -4.263 305 2HD1 ILE 36 2HD1 ILE 36 -12.998 -1.513 -2.544 306 3HD1 ILE 36 3HD1 ILE 36 -13.006 -3.158 -3.201 307 H ASN 37 H ASN 37 -17.256 -2.263 -7.164 308 HA ASN 37 HA ASN 37 -17.251 -4.444 -8.869 309 1HB ASN 37 1HB ASN 37 -18.695 -1.773 -9.114 310 2HB ASN 37 2HB ASN 37 -18.883 -3.037 -10.338 311 1HD2 ASN 37 2HD2 ASN 37 -19.978 -1.983 -7.289 312 2HD2 ASN 37 1HD2 ASN 37 -21.131 -3.302 -7.039 313 H ASN 38 H ASN 38 -16.458 -1.079 -9.866 314 HA ASN 38 HA ASN 38 -16.019 -1.753 -12.610 315 1HB ASN 38 1HB ASN 38 -15.119 0.648 -10.939 316 2HB ASN 38 2HB ASN 38 -15.058 0.535 -12.705 317 1HD2 ASN 38 2HD2 ASN 38 -17.799 -0.901 -12.756 318 2HD2 ASN 38 1HD2 ASN 38 -18.904 0.436 -12.522 319 H GLU 39 H GLU 39 -13.770 -1.223 -9.844 320 HA GLU 39 HA GLU 39 -11.527 -1.566 -11.709 321 1HB GLU 39 1HB GLU 39 -11.678 -0.937 -8.744 322 2HB GLU 39 2HB GLU 39 -10.187 -1.061 -9.676 323 1HG GLU 39 1HG GLU 39 -12.467 0.886 -10.299 324 2HG GLU 39 2HG GLU 39 -10.984 1.305 -9.444 325 H LEU 40 H LEU 40 -12.878 -3.433 -8.956 326 HA LEU 40 HA LEU 40 -10.597 -5.331 -9.178 327 1HB LEU 40 1HB LEU 40 -12.559 -4.577 -7.044 328 2HB LEU 40 2HB LEU 40 -11.962 -6.224 -7.035 329 HG LEU 40 HG LEU 40 -9.624 -5.445 -7.013 330 1HD1 LEU 40 1HD1 LEU 40 -9.845 -3.210 -7.991 331 2HD1 LEU 40 2HD1 LEU 40 -10.891 -2.698 -6.639 332 3HD1 LEU 40 3HD1 LEU 40 -9.180 -3.097 -6.355 333 1HD2 LEU 40 1HD2 LEU 40 -10.830 -6.053 -4.945 334 2HD2 LEU 40 2HD2 LEU 40 -9.655 -4.760 -4.658 335 3HD2 LEU 40 3HD2 LEU 40 -11.386 -4.375 -4.774 336 H SER 41 H SER 41 -12.950 -5.231 -11.199 337 HA SER 41 HA SER 41 -14.853 -7.064 -10.811 338 1HB SER 41 1HB SER 41 -13.426 -6.849 -13.477 339 2HB SER 41 2HB SER 41 -15.167 -6.974 -13.151 340 HG SER 41 HG SER 41 -14.988 -4.850 -12.176 341 H HIS 42 H HIS 42 -11.510 -7.904 -11.751 342 HA HIS 42 HA HIS 42 -12.216 -10.760 -12.139 343 1HB HIS 42 1HB HIS 42 -10.677 -9.494 -13.675 344 2HB HIS 42 2HB HIS 42 -9.520 -9.370 -12.347 345 HD1 HIS 42 HD1 HIS 42 -10.414 -12.644 -11.622 346 HD2 HIS 42 HD2 HIS 42 -8.652 -10.833 -14.988 347 HE1 HIS 42 HE1 HIS 42 -9.156 -14.489 -12.879 348 H PHE 43 H PHE 43 -10.937 -8.564 -9.751 349 HA PHE 43 HA PHE 43 -9.456 -10.561 -8.212 350 1HB PHE 43 1HB PHE 43 -9.947 -7.622 -8.056 351 2HB PHE 43 2HB PHE 43 -9.650 -8.451 -6.549 352 HD1 PHE 43 HD1 PHE 43 -8.203 -8.792 -10.043 353 HD2 PHE 43 HD2 PHE 43 -7.435 -8.309 -5.831 354 HE1 PHE 43 HE1 PHE 43 -5.780 -8.618 -10.503 355 HE2 PHE 43 HE2 PHE 43 -5.005 -8.167 -6.281 356 HZ PHE 43 HZ PHE 43 -4.184 -8.240 -8.648 357 H LEU 44 H LEU 44 -12.444 -8.614 -7.654 358 HA LEU 44 HA LEU 44 -13.444 -10.766 -5.822 359 1HB LEU 44 1HB LEU 44 -13.467 -7.756 -5.547 360 2HB LEU 44 2HB LEU 44 -14.885 -8.671 -5.038 361 HG LEU 44 HG LEU 44 -13.569 -10.056 -3.538 362 1HD1 LEU 44 1HD1 LEU 44 -11.225 -8.310 -4.405 363 2HD1 LEU 44 2HD1 LEU 44 -11.233 -9.287 -2.924 364 3HD1 LEU 44 3HD1 LEU 44 -11.352 -10.082 -4.491 365 1HD2 LEU 44 1HD2 LEU 44 -13.143 -8.303 -1.845 366 2HD2 LEU 44 2HD2 LEU 44 -13.178 -7.061 -3.117 367 3HD2 LEU 44 3HD2 LEU 44 -14.645 -7.987 -2.730 368 H GLU 45 H GLU 45 -15.590 -11.334 -6.128 369 HA GLU 45 HA GLU 45 -16.725 -10.834 -8.753 370 1HB GLU 45 1HB GLU 45 -18.692 -12.048 -7.911 371 2HB GLU 45 2HB GLU 45 -17.188 -12.941 -7.658 372 1HG GLU 45 1HG GLU 45 -17.177 -12.350 -5.283 373 2HG GLU 45 2HG GLU 45 -18.575 -11.278 -5.500 374 H GLU 46 H GLU 46 -18.973 -9.916 -8.975 375 HA GLU 46 HA GLU 46 -18.910 -7.226 -8.517 376 1HB GLU 46 1HB GLU 46 -21.080 -7.096 -9.409 377 2HB GLU 46 2HB GLU 46 -20.261 -8.444 -10.212 378 1HG GLU 46 1HG GLU 46 -21.368 -9.962 -8.451 379 2HG GLU 46 2HG GLU 46 -22.244 -8.519 -7.933 380 H ILE 47 H ILE 47 -19.925 -5.809 -7.263 381 HA ILE 47 HA ILE 47 -20.508 -6.666 -4.452 382 HB ILE 47 HB ILE 47 -19.659 -3.914 -5.417 383 1HG1 ILE 47 1HG1 ILE 47 -17.823 -5.408 -5.943 384 2HG1 ILE 47 2HG1 ILE 47 -17.485 -4.321 -4.585 385 1HG2 ILE 47 1HG2 ILE 47 -20.841 -3.854 -3.367 386 2HG2 ILE 47 2HG2 ILE 47 -19.876 -5.169 -2.663 387 3HG2 ILE 47 3HG2 ILE 47 -19.125 -3.596 -3.015 388 1HD1 ILE 47 1HD1 ILE 47 -17.769 -6.088 -2.973 389 2HD1 ILE 47 2HD1 ILE 47 -18.237 -7.236 -4.259 390 3HD1 ILE 47 3HD1 ILE 47 -16.596 -6.565 -4.216 391 H LYS 48 H LYS 48 -22.652 -7.096 -4.653 392 HA LYS 48 HA LYS 48 -24.456 -5.261 -6.073 393 1HB LYS 48 1HB LYS 48 -24.522 -7.644 -6.462 394 2HB LYS 48 2HB LYS 48 -24.832 -7.965 -4.743 395 1HG LYS 48 1HG LYS 48 -27.028 -6.964 -4.877 396 2HG LYS 48 2HG LYS 48 -26.689 -6.296 -6.481 397 1HD LYS 48 1HD LYS 48 -28.165 -8.265 -6.552 398 2HD LYS 48 2HD LYS 48 -26.700 -8.494 -7.504 399 1HE LYS 48 1HE LYS 48 -26.851 -9.515 -4.635 400 2HE LYS 48 2HE LYS 48 -27.589 -10.425 -5.961 401 1HZ LYS 48 1HZ LYS 48 -25.499 -10.507 -7.060 402 2HZ LYS 48 2HZ LYS 48 -25.394 -11.171 -5.557 403 3HZ LYS 48 3HZ LYS 48 -24.760 -9.681 -5.845 404 H GLU 49 H GLU 49 -24.451 -6.794 -2.799 405 HA GLU 49 HA GLU 49 -26.692 -5.186 -2.009 406 1HB GLU 49 1HB GLU 49 -26.264 -7.519 -1.277 407 2HB GLU 49 2HB GLU 49 -24.933 -6.935 -0.262 408 1HG GLU 49 1HG GLU 49 -26.583 -5.442 0.934 409 2HG GLU 49 2HG GLU 49 -27.878 -6.106 -0.076 410 H GLN 50 H GLN 50 -26.298 -3.058 -1.934 411 HA GLN 50 HA GLN 50 -24.339 -1.444 -1.243 412 1HB GLN 50 1HB GLN 50 -26.554 -0.750 -1.941 413 2HB GLN 50 2HB GLN 50 -27.198 -1.095 -0.330 414 1HG GLN 50 1HG GLN 50 -26.829 1.305 -0.690 415 2HG GLN 50 2HG GLN 50 -25.830 0.715 0.633 416 1HE2 GLN 50 1HE2 GLN 50 -23.501 0.387 0.192 417 2HE2 GLN 50 2HE2 GLN 50 -22.737 1.393 -1.055 418 H GLU 51 H GLU 51 -26.199 -3.250 1.196 419 HA GLU 51 HA GLU 51 -25.059 -1.929 3.486 420 1HB GLU 51 1HB GLU 51 -26.362 -4.679 3.405 421 2HB GLU 51 2HB GLU 51 -26.185 -3.589 4.784 422 1HG GLU 51 1HG GLU 51 -27.981 -3.191 2.347 423 2HG GLU 51 2HG GLU 51 -28.464 -3.457 4.018 424 H VAL 52 H VAL 52 -24.100 -4.884 1.648 425 HA VAL 52 HA VAL 52 -22.241 -5.703 3.754 426 HB VAL 52 HB VAL 52 -22.338 -6.619 0.850 427 1HG1 VAL 52 1HG1 VAL 52 -20.163 -7.090 1.839 428 2HG1 VAL 52 2HG1 VAL 52 -20.919 -7.676 3.338 429 3HG1 VAL 52 3HG1 VAL 52 -21.106 -8.581 1.832 430 1HG2 VAL 52 1HG2 VAL 52 -24.448 -7.122 2.114 431 2HG2 VAL 52 2HG2 VAL 52 -23.522 -8.588 1.767 432 3HG2 VAL 52 3HG2 VAL 52 -23.479 -7.873 3.393 433 H VAL 53 H VAL 53 -22.143 -3.838 0.753 434 HA VAL 53 HA VAL 53 -19.360 -3.352 0.676 435 HB VAL 53 HB VAL 53 -19.707 -2.059 -1.022 436 1HG1 VAL 53 1HG1 VAL 53 -22.633 -2.486 -0.532 437 2HG1 VAL 53 2HG1 VAL 53 -21.921 -2.132 -2.090 438 3HG1 VAL 53 3HG1 VAL 53 -21.584 -3.679 -1.296 439 1HG2 VAL 53 1HG2 VAL 53 -21.618 -0.350 0.602 440 2HG2 VAL 53 2HG2 VAL 53 -19.912 -0.022 0.256 441 3HG2 VAL 53 3HG2 VAL 53 -21.107 -0.003 -1.033 442 H ASP 54 H ASP 54 -21.994 -1.672 2.480 443 HA ASP 54 HA ASP 54 -20.286 0.160 3.816 444 1HB ASP 54 1HB ASP 54 -22.730 0.429 3.733 445 2HB ASP 54 2HB ASP 54 -22.931 -0.957 4.818 446 H LYS 55 H LYS 55 -21.275 -3.200 4.699 447 HA LYS 55 HA LYS 55 -20.004 -3.196 7.220 448 1HB LYS 55 1HB LYS 55 -21.533 -4.977 6.326 449 2HB LYS 55 2HB LYS 55 -20.190 -5.599 5.367 450 1HG LYS 55 1HG LYS 55 -19.203 -5.273 8.065 451 2HG LYS 55 2HG LYS 55 -20.817 -5.959 8.193 452 1HD LYS 55 1HD LYS 55 -19.257 -7.760 8.128 453 2HD LYS 55 2HD LYS 55 -20.117 -7.779 6.579 454 1HE LYS 55 1HE LYS 55 -18.187 -6.715 5.468 455 2HE LYS 55 2HE LYS 55 -17.380 -6.472 7.029 456 1HZ LYS 55 1HZ LYS 55 -17.236 -8.820 7.273 457 2HZ LYS 55 2HZ LYS 55 -18.008 -9.071 5.838 458 3HZ LYS 55 3HZ LYS 55 -16.526 -8.348 5.865 459 H VAL 56 H VAL 56 -18.598 -4.121 3.993 460 HA VAL 56 HA VAL 56 -16.007 -4.600 5.165 461 HB VAL 56 HB VAL 56 -15.029 -4.578 2.985 462 1HG1 VAL 56 1HG1 VAL 56 -16.206 -6.492 2.051 463 2HG1 VAL 56 2HG1 VAL 56 -16.146 -6.619 3.815 464 3HG1 VAL 56 3HG1 VAL 56 -17.656 -6.130 3.003 465 1HG2 VAL 56 1HG2 VAL 56 -17.753 -3.887 1.915 466 2HG2 VAL 56 2HG2 VAL 56 -16.342 -2.804 1.848 467 3HG2 VAL 56 3HG2 VAL 56 -16.344 -4.322 0.939 468 H MET 57 H MET 57 -17.435 -1.630 3.638 469 HA MET 57 HA MET 57 -15.070 -0.128 3.832 470 1HB MET 57 1HB MET 57 -16.239 1.616 3.145 471 2HB MET 57 2HB MET 57 -17.506 0.448 2.827 472 1HG MET 57 1HG MET 57 -18.483 1.049 5.112 473 2HG MET 57 2HG MET 57 -17.244 2.293 5.245 474 1HE MET 57 1HE MET 57 -16.931 4.084 3.557 475 2HE MET 57 2HE MET 57 -17.384 3.345 1.999 476 3HE MET 57 3HE MET 57 -18.236 4.791 2.599 477 H GLU 58 H GLU 58 -17.649 -0.593 6.237 478 HA GLU 58 HA GLU 58 -16.644 0.996 8.327 479 1HB GLU 58 1HB GLU 58 -18.895 0.071 8.303 480 2HB GLU 58 2HB GLU 58 -18.270 -1.581 8.436 481 1HG GLU 58 1HG GLU 58 -17.364 -1.124 10.659 482 2HG GLU 58 2HG GLU 58 -17.752 0.594 10.495 483 H THR 59 H THR 59 -16.090 -2.434 7.556 484 HA THR 59 HA THR 59 -14.361 -3.121 9.667 485 HB THR 59 HB THR 59 -14.458 -4.111 6.786 486 HG1 THR 59 HG1 THR 59 -16.331 -4.413 7.959 487 1HG2 THR 59 1HG2 THR 59 -12.964 -5.323 9.105 488 2HG2 THR 59 2HG2 THR 59 -13.393 -6.167 7.597 489 3HG2 THR 59 3HG2 THR 59 -12.309 -4.778 7.532 490 H LEU 60 H LEU 60 -13.617 -1.372 6.625 491 HA LEU 60 HA LEU 60 -10.726 -1.322 7.259 492 1HB LEU 60 1HB LEU 60 -12.224 0.254 5.138 493 2HB LEU 60 2HB LEU 60 -10.497 -0.056 5.233 494 HG LEU 60 HG LEU 60 -12.560 -2.252 4.813 495 1HD1 LEU 60 1HD1 LEU 60 -12.678 -0.694 2.986 496 2HD1 LEU 60 2HD1 LEU 60 -10.919 -0.646 2.833 497 3HD1 LEU 60 3HD1 LEU 60 -11.821 -2.142 2.454 498 1HD2 LEU 60 1HD2 LEU 60 -9.534 -2.188 4.714 499 2HD2 LEU 60 2HD2 LEU 60 -10.570 -3.072 5.851 500 3HD2 LEU 60 3HD2 LEU 60 -10.564 -3.534 4.148 501 H ASP 61 H ASP 61 -13.505 0.777 7.500 502 HA ASP 61 HA ASP 61 -12.245 3.265 7.640 503 1HB ASP 61 1HB ASP 61 -14.595 2.967 7.062 504 2HB ASP 61 2HB ASP 61 -14.934 2.413 8.712 505 H SER 62 H SER 62 -10.473 2.426 9.223 506 HA SER 62 HA SER 62 -10.719 2.495 11.970 507 1HB SER 62 1HB SER 62 -8.529 3.841 10.329 508 2HB SER 62 2HB SER 62 -8.415 3.254 11.999 509 HG SER 62 HG SER 62 -8.558 1.767 9.602 510 H ASP 63 H ASP 63 -11.171 5.195 9.742 511 HA ASP 63 HA ASP 63 -10.826 7.300 11.663 512 1HB ASP 63 1HB ASP 63 -12.536 7.408 9.150 513 2HB ASP 63 2HB ASP 63 -11.731 8.735 9.978 514 H GLY 64 H GLY 64 -13.384 4.971 11.226 515 1HA GLY 64 1HA GLY 64 -15.542 4.844 11.940 516 2HA GLY 64 2HA GLY 64 -15.008 5.840 13.306 517 H ASP 65 H ASP 65 -15.258 6.645 9.811 518 HA ASP 65 HA ASP 65 -16.999 8.980 10.489 519 1HB ASP 65 1HB ASP 65 -14.611 9.467 9.842 520 2HB ASP 65 2HB ASP 65 -14.913 8.675 8.284 521 H GLY 66 H GLY 66 -17.177 5.936 9.286 522 1HA GLY 66 1HA GLY 66 -18.725 4.889 7.960 523 2HA GLY 66 2HA GLY 66 -19.437 6.441 7.491 524 H GLU 67 H GLU 67 -17.842 7.853 6.245 525 HA GLU 67 HA GLU 67 -17.244 6.492 3.797 526 1HB GLU 67 1HB GLU 67 -16.301 8.667 3.022 527 2HB GLU 67 2HB GLU 67 -17.990 8.647 3.537 528 1HG GLU 67 1HG GLU 67 -17.359 9.691 5.710 529 2HG GLU 67 2HG GLU 67 -15.672 9.711 5.188 530 H CYS 68 H CYS 68 -15.436 5.575 3.061 531 HA CYS 68 HA CYS 68 -13.489 4.941 5.136 532 1HB CYS 68 1HB CYS 68 -14.684 3.321 3.380 533 2HB CYS 68 2HB CYS 68 -13.303 3.766 2.352 534 HG CYS 68 HG CYS 68 -13.381 2.414 5.302 535 H ASP 69 H ASP 69 -11.437 5.811 5.283 536 HA ASP 69 HA ASP 69 -10.848 8.020 3.503 537 1HB ASP 69 1HB ASP 69 -10.577 8.120 5.951 538 2HB ASP 69 2HB ASP 69 -9.244 6.946 5.845 539 H PHE 70 H PHE 70 -8.851 8.343 2.319 540 HA PHE 70 HA PHE 70 -8.031 6.352 0.641 541 1HB PHE 70 1HB PHE 70 -7.443 8.746 0.396 542 2HB PHE 70 2HB PHE 70 -6.233 8.573 1.666 543 HD1 PHE 70 HD1 PHE 70 -7.287 7.084 -1.597 544 HD2 PHE 70 HD2 PHE 70 -3.984 7.886 1.028 545 HE1 PHE 70 HE1 PHE 70 -5.724 6.344 -3.369 546 HE2 PHE 70 HE2 PHE 70 -2.423 7.048 -0.687 547 HZ PHE 70 HZ PHE 70 -3.292 6.267 -2.921 548 H GLN 71 H GLN 71 -6.593 7.061 3.863 549 HA GLN 71 HA GLN 71 -4.443 5.198 3.642 550 1HB GLN 71 1HB GLN 71 -5.973 5.938 6.179 551 2HB GLN 71 2HB GLN 71 -4.336 5.283 6.069 552 1HG GLN 71 1HG GLN 71 -5.320 8.062 5.342 553 2HG GLN 71 2HG GLN 71 -4.059 7.605 6.477 554 1HE2 GLN 71 2HE2 GLN 71 -2.260 6.140 5.247 555 2HE2 GLN 71 1HE2 GLN 71 -1.675 6.882 3.757 556 H GLU 72 H GLU 72 -7.841 4.706 4.508 557 HA GLU 72 HA GLU 72 -7.462 1.944 5.445 558 1HB GLU 72 1HB GLU 72 -10.002 3.429 4.754 559 2HB GLU 72 2HB GLU 72 -9.806 1.986 5.764 560 1HG GLU 72 1HG GLU 72 -9.042 4.850 6.381 561 2HG GLU 72 2HG GLU 72 -10.102 3.791 7.288 562 H PHE 73 H PHE 73 -8.632 3.620 2.542 563 HA PHE 73 HA PHE 73 -9.166 1.332 0.924 564 1HB PHE 73 1HB PHE 73 -9.849 3.392 0.105 565 2HB PHE 73 2HB PHE 73 -8.305 4.161 0.395 566 HD1 PHE 73 HD1 PHE 73 -6.512 4.104 -1.243 567 HD2 PHE 73 HD2 PHE 73 -10.149 1.871 -1.887 568 HE1 PHE 73 HE1 PHE 73 -5.956 3.880 -3.648 569 HE2 PHE 73 HE2 PHE 73 -9.610 1.728 -4.310 570 HZ PHE 73 HZ PHE 73 -7.574 2.783 -5.205 571 H MET 74 H MET 74 -6.053 3.142 1.363 572 HA MET 74 HA MET 74 -4.499 1.366 -0.185 573 1HB MET 74 1HB MET 74 -3.761 3.241 2.081 574 2HB MET 74 2HB MET 74 -2.564 2.255 1.247 575 1HG MET 74 1HG MET 74 -4.363 4.330 -0.046 576 2HG MET 74 2HG MET 74 -2.649 4.507 0.311 577 1HE MET 74 1HE MET 74 -1.029 2.039 -2.343 578 2HE MET 74 2HE MET 74 -0.716 3.142 -0.994 579 3HE MET 74 3HE MET 74 -1.513 1.574 -0.703 580 H ALA 75 H ALA 75 -5.256 1.260 3.290 581 HA ALA 75 HA ALA 75 -3.720 -1.047 3.897 582 1HB ALA 75 1HB ALA 75 -6.405 -0.293 5.119 583 2HB ALA 75 2HB ALA 75 -5.176 -1.361 5.814 584 3HB ALA 75 3HB ALA 75 -4.829 0.367 5.602 585 H PHE 76 H PHE 76 -7.059 -0.813 2.614 586 HA PHE 76 HA PHE 76 -7.573 -3.648 2.547 587 1HB PHE 76 1HB PHE 76 -9.393 -2.202 2.449 588 2HB PHE 76 2HB PHE 76 -8.753 -1.263 1.121 589 HD1 PHE 76 HD1 PHE 76 -8.926 -1.967 -1.169 590 HD2 PHE 76 HD2 PHE 76 -10.638 -4.364 2.015 591 HE1 PHE 76 HE1 PHE 76 -10.301 -3.187 -2.812 592 HE2 PHE 76 HE2 PHE 76 -11.940 -5.616 0.343 593 HZ PHE 76 HZ PHE 76 -11.778 -5.041 -2.079 594 H VAL 77 H VAL 77 -6.441 -1.372 0.041 595 HA VAL 77 HA VAL 77 -5.930 -3.210 -2.025 596 HB VAL 77 HB VAL 77 -4.629 -0.602 -1.220 597 1HG1 VAL 77 1HG1 VAL 77 -4.090 -2.239 -3.744 598 2HG1 VAL 77 2HG1 VAL 77 -3.634 -0.539 -3.528 599 3HG1 VAL 77 3HG1 VAL 77 -2.901 -1.772 -2.509 600 1HG2 VAL 77 1HG2 VAL 77 -6.471 -1.322 -3.544 601 2HG2 VAL 77 2HG2 VAL 77 -7.003 -0.547 -2.044 602 3HG2 VAL 77 3HG2 VAL 77 -5.886 0.300 -3.120 603 H ALA 78 H ALA 78 -3.848 -2.301 0.795 604 HA ALA 78 HA ALA 78 -1.604 -3.777 0.009 605 1HB ALA 78 1HB ALA 78 -1.619 -2.182 1.910 606 2HB ALA 78 2HB ALA 78 -2.544 -3.356 2.874 607 3HB ALA 78 3HB ALA 78 -0.911 -3.756 2.333 608 H MET 79 H MET 79 -4.322 -4.903 2.142 609 HA MET 79 HA MET 79 -3.147 -7.542 2.280 610 1HB MET 79 1HB MET 79 -5.347 -8.286 3.192 611 2HB MET 79 2HB MET 79 -4.435 -7.078 4.106 612 1HG MET 79 1HG MET 79 -5.914 -5.321 3.366 613 2HG MET 79 2HG MET 79 -6.835 -6.449 2.341 614 1HE MET 79 1HE MET 79 -9.084 -5.351 5.457 615 2HE MET 79 2HE MET 79 -7.755 -4.384 4.766 616 3HE MET 79 3HE MET 79 -8.891 -5.249 3.688 617 H ILE 80 H ILE 80 -5.661 -6.151 0.170 618 HA ILE 80 HA ILE 80 -6.415 -8.559 -1.161 619 HB ILE 80 HB ILE 80 -6.262 -5.651 -2.013 620 1HG1 ILE 80 1HG1 ILE 80 -7.866 -6.514 -0.135 621 2HG1 ILE 80 2HG1 ILE 80 -8.471 -5.447 -1.401 622 1HG2 ILE 80 1HG2 ILE 80 -7.814 -6.261 -3.878 623 2HG2 ILE 80 2HG2 ILE 80 -6.169 -6.862 -4.083 624 3HG2 ILE 80 3HG2 ILE 80 -7.449 -7.974 -3.554 625 1HD1 ILE 80 1HD1 ILE 80 -8.763 -8.471 -1.529 626 2HD1 ILE 80 2HD1 ILE 80 -9.974 -7.385 -0.820 627 3HD1 ILE 80 3HD1 ILE 80 -9.576 -7.254 -2.539 628 H THR 81 H THR 81 -3.871 -6.159 -1.921 629 HA THR 81 HA THR 81 -2.763 -7.541 -4.137 630 HB THR 81 HB THR 81 -1.426 -5.631 -2.163 631 HG1 THR 81 HG1 THR 81 -3.150 -4.670 -3.183 632 1HG2 THR 81 1HG2 THR 81 -0.621 -6.417 -4.994 633 2HG2 THR 81 2HG2 THR 81 0.117 -5.141 -4.021 634 3HG2 THR 81 3HG2 THR 81 0.245 -6.846 -3.523 635 H THR 82 H THR 82 -2.047 -7.722 -0.593 636 HA THR 82 HA THR 82 0.166 -9.479 -0.784 637 HB THR 82 HB THR 82 -1.917 -9.349 1.434 638 HG1 THR 82 HG1 THR 82 -0.829 -7.346 0.957 639 1HG2 THR 82 1HG2 THR 82 -0.510 -11.355 1.600 640 2HG2 THR 82 2HG2 THR 82 0.954 -10.360 1.445 641 3HG2 THR 82 3HG2 THR 82 -0.104 -10.192 2.863 642 H ALA 83 H ALA 83 -3.371 -10.232 -0.499 643 HA ALA 83 HA ALA 83 -3.062 -13.059 -0.530 644 1HB ALA 83 1HB ALA 83 -5.434 -13.074 -1.251 645 2HB ALA 83 2HB ALA 83 -5.157 -11.929 0.080 646 3HB ALA 83 3HB ALA 83 -5.355 -11.336 -1.581 647 H CYS 84 H CYS 84 -3.575 -10.729 -3.231 648 HA CYS 84 HA CYS 84 -3.487 -12.746 -5.254 649 1HB CYS 84 1HB CYS 84 -4.478 -10.624 -5.711 650 2HB CYS 84 2HB CYS 84 -2.915 -9.780 -5.515 651 HG CYS 84 HG CYS 84 -3.804 -10.239 -8.084 652 H HIS 85 H HIS 85 -0.883 -10.867 -3.703 653 HA HIS 85 HA HIS 85 1.253 -11.685 -5.385 654 1HB HIS 85 1HB HIS 85 1.557 -9.871 -3.796 655 2HB HIS 85 2HB HIS 85 1.206 -10.929 -2.441 656 HD1 HIS 85 HD1 HIS 85 3.965 -10.615 -5.154 657 HD2 HIS 85 HD2 HIS 85 3.175 -12.213 -1.339 658 HE1 HIS 85 HE1 HIS 85 6.143 -11.635 -4.322 659 H GLU 86 H GLU 86 0.100 -13.059 -2.255 660 HA GLU 86 HA GLU 86 1.810 -15.292 -2.213 661 1HB GLU 86 1HB GLU 86 -0.979 -14.913 -1.058 662 2HB GLU 86 2HB GLU 86 0.022 -16.346 -0.772 663 1HG GLU 86 1HG GLU 86 1.854 -14.923 0.120 664 2HG GLU 86 2HG GLU 86 0.864 -13.478 -0.124 665 H PHE 87 H PHE 87 -1.450 -15.024 -3.713 666 HA PHE 87 HA PHE 87 -1.554 -17.608 -4.888 667 1HB PHE 87 1HB PHE 87 -3.491 -16.426 -5.093 668 2HB PHE 87 2HB PHE 87 -2.695 -14.931 -5.537 669 HD1 PHE 87 HD1 PHE 87 -2.895 -14.178 -7.743 670 HD2 PHE 87 HD2 PHE 87 -3.083 -18.416 -6.948 671 HE1 PHE 87 HE1 PHE 87 -3.389 -14.609 -10.128 672 HE2 PHE 87 HE2 PHE 87 -3.514 -18.842 -9.347 673 HZ PHE 87 HZ PHE 87 -3.702 -16.945 -10.936 674 H PHE 88 H PHE 88 -0.258 -14.600 -6.264 675 HA PHE 88 HA PHE 88 0.471 -15.569 -8.750 676 1HB PHE 88 1HB PHE 88 0.182 -13.234 -8.045 677 2HB PHE 88 2HB PHE 88 1.724 -13.295 -7.174 678 HD1 PHE 88 HD1 PHE 88 3.885 -13.433 -8.406 679 HD2 PHE 88 HD2 PHE 88 0.121 -12.959 -10.460 680 HE1 PHE 88 HE1 PHE 88 5.087 -12.701 -10.448 681 HE2 PHE 88 HE2 PHE 88 1.331 -12.205 -12.488 682 HZ PHE 88 HZ PHE 88 3.813 -12.074 -12.485 683 H GLU 89 H GLU 89 2.258 -15.867 -5.716 684 HA GLU 89 HA GLU 89 4.884 -16.300 -6.660 685 1HB GLU 89 1HB GLU 89 3.438 -17.806 -4.438 686 2HB GLU 89 2HB GLU 89 5.188 -17.759 -4.694 687 1HG GLU 89 1HG GLU 89 3.427 -15.396 -3.932 688 2HG GLU 89 2HG GLU 89 4.522 -16.264 -2.880 689 H HIS 90 H HIS 90 2.034 -18.388 -6.701 690 HA HIS 90 HA HIS 90 3.384 -20.037 -8.781 691 1HB HIS 90 1HB HIS 90 1.781 -20.972 -6.399 692 2HB HIS 90 2HB HIS 90 2.108 -22.002 -7.816 693 HD1 HIS 90 HD1 HIS 90 3.675 -20.855 -4.595 694 HD2 HIS 90 HD2 HIS 90 4.901 -22.368 -8.323 695 HE1 HIS 90 HE1 HIS 90 6.119 -21.554 -4.336 696 H GLU 91 H GLU 91 2.253 -18.008 -9.719 697 HA GLU 91 HA GLU 91 -0.470 -17.716 -9.811 698 1HB GLU 91 1HB GLU 91 1.296 -16.223 -10.871 699 2HB GLU 91 2HB GLU 91 1.354 -17.353 -12.232 700 1HG GLU 91 1HG GLU 91 -1.050 -16.923 -12.691 701 2HG GLU 91 2HG GLU 91 -1.147 -15.911 -11.239 702 1H SER 1 1H SER 1 -10.394 -1.067 -13.363 703 2H SER 1 2H SER 1 -10.247 -1.197 -15.006 704 3H SER 1 3H SER 1 -11.148 -2.292 -14.169 705 HA SER 1 HA SER 1 -9.279 -3.141 -13.036 706 1HB SER 1 1HB SER 1 -9.013 -3.050 -16.048 707 2HB SER 1 2HB SER 1 -8.134 -4.192 -14.996 708 HG SER 1 HG SER 1 -10.103 -4.992 -14.263 709 H GLU 2 H GLU 2 -8.764 -0.025 -13.874 710 HA GLU 2 HA GLU 2 -5.986 0.246 -14.299 711 1HB GLU 2 1HB GLU 2 -7.788 1.939 -12.508 712 2HB GLU 2 2HB GLU 2 -6.203 2.397 -13.152 713 1HG GLU 2 1HG GLU 2 -7.156 2.136 -15.478 714 2HG GLU 2 2HG GLU 2 -8.751 1.881 -14.741 715 H LEU 3 H LEU 3 -7.818 -0.102 -11.220 716 HA LEU 3 HA LEU 3 -5.497 -0.093 -9.549 717 1HB LEU 3 1HB LEU 3 -8.085 -1.549 -8.947 718 2HB LEU 3 2HB LEU 3 -6.837 -1.014 -7.806 719 HG LEU 3 HG LEU 3 -8.736 0.741 -9.403 720 1HD1 LEU 3 1HD1 LEU 3 -8.287 0.373 -6.409 721 2HD1 LEU 3 2HD1 LEU 3 -9.500 1.422 -7.168 722 3HD1 LEU 3 3HD1 LEU 3 -9.623 -0.338 -7.335 723 1HD2 LEU 3 1HD2 LEU 3 -6.638 1.935 -9.425 724 2HD2 LEU 3 2HD2 LEU 3 -7.715 2.667 -8.230 725 3HD2 LEU 3 3HD2 LEU 3 -6.411 1.607 -7.681 726 H GLU 4 H GLU 4 -7.269 -2.849 -11.060 727 HA GLU 4 HA GLU 4 -5.691 -4.923 -9.948 728 1HB GLU 4 1HB GLU 4 -7.086 -4.758 -12.645 729 2HB GLU 4 2HB GLU 4 -6.385 -6.232 -11.965 730 1HG GLU 4 1HG GLU 4 -7.862 -6.134 -10.030 731 2HG GLU 4 2HG GLU 4 -8.508 -4.591 -10.538 732 H LYS 5 H LYS 5 -5.169 -2.924 -12.862 733 HA LYS 5 HA LYS 5 -2.836 -4.357 -13.767 734 1HB LYS 5 1HB LYS 5 -3.829 -1.559 -14.367 735 2HB LYS 5 2HB LYS 5 -2.410 -2.290 -15.124 736 1HG LYS 5 1HG LYS 5 -5.246 -3.404 -15.295 737 2HG LYS 5 2HG LYS 5 -4.406 -2.459 -16.527 738 1HD LYS 5 1HD LYS 5 -2.616 -4.309 -16.549 739 2HD LYS 5 2HD LYS 5 -3.693 -5.252 -15.507 740 1HE LYS 5 1HE LYS 5 -4.026 -5.977 -17.770 741 2HE LYS 5 2HE LYS 5 -5.485 -5.133 -17.232 742 1HZ LYS 5 1HZ LYS 5 -4.738 -3.211 -18.439 743 2HZ LYS 5 2HZ LYS 5 -3.350 -3.975 -18.891 744 3HZ LYS 5 3HZ LYS 5 -4.806 -4.513 -19.443 745 H ALA 6 H ALA 6 -3.221 -1.335 -11.905 746 HA ALA 6 HA ALA 6 -0.516 -0.795 -11.371 747 1HB ALA 6 1HB ALA 6 -1.446 0.333 -9.310 748 2HB ALA 6 2HB ALA 6 -2.364 0.704 -10.787 749 3HB ALA 6 3HB ALA 6 -2.996 -0.457 -9.619 750 H VAL 7 H VAL 7 -2.801 -2.754 -9.455 751 HA VAL 7 HA VAL 7 -1.056 -3.694 -7.483 752 HB VAL 7 HB VAL 7 -3.649 -4.673 -8.697 753 1HG1 VAL 7 1HG1 VAL 7 -2.186 -5.977 -6.404 754 2HG1 VAL 7 2HG1 VAL 7 -3.888 -6.221 -6.829 755 3HG1 VAL 7 3HG1 VAL 7 -2.620 -6.719 -7.963 756 1HG2 VAL 7 1HG2 VAL 7 -4.558 -3.916 -6.552 757 2HG2 VAL 7 2HG2 VAL 7 -2.925 -3.580 -5.942 758 3HG2 VAL 7 3HG2 VAL 7 -3.596 -2.600 -7.246 759 H VAL 8 H VAL 8 -1.915 -5.443 -10.608 760 HA VAL 8 HA VAL 8 -0.070 -7.521 -9.898 761 HB VAL 8 HB VAL 8 -0.270 -8.423 -12.079 762 1HG1 VAL 8 1HG1 VAL 8 -2.664 -8.902 -12.057 763 2HG1 VAL 8 2HG1 VAL 8 -2.009 -8.887 -10.411 764 3HG1 VAL 8 3HG1 VAL 8 -2.966 -7.514 -10.998 765 1HG2 VAL 8 1HG2 VAL 8 -1.857 -5.969 -12.813 766 2HG2 VAL 8 2HG2 VAL 8 -0.286 -6.427 -13.489 767 3HG2 VAL 8 3HG2 VAL 8 -1.714 -7.425 -13.810 768 H ALA 9 H ALA 9 0.401 -4.405 -11.589 769 HA ALA 9 HA ALA 9 3.047 -4.979 -12.488 770 1HB ALA 9 1HB ALA 9 1.971 -2.295 -11.542 771 2HB ALA 9 2HB ALA 9 3.401 -2.593 -12.536 772 3HB ALA 9 3HB ALA 9 1.789 -2.970 -13.175 773 H LEU 10 H LEU 10 1.885 -3.646 -9.310 774 HA LEU 10 HA LEU 10 4.457 -3.433 -8.090 775 1HB LEU 10 1HB LEU 10 1.813 -4.218 -6.784 776 2HB LEU 10 2HB LEU 10 3.253 -3.663 -5.949 777 HG LEU 10 HG LEU 10 1.581 -1.976 -7.847 778 1HD1 LEU 10 1HD1 LEU 10 0.863 -0.829 -5.807 779 2HD1 LEU 10 2HD1 LEU 10 0.448 -2.551 -5.731 780 3HD1 LEU 10 3HD1 LEU 10 1.851 -1.932 -4.825 781 1HD2 LEU 10 1HD2 LEU 10 3.972 -1.248 -6.121 782 2HD2 LEU 10 2HD2 LEU 10 3.851 -1.165 -7.903 783 3HD2 LEU 10 3HD2 LEU 10 2.879 -0.081 -6.897 784 H ILE 11 H ILE 11 2.127 -6.158 -8.096 785 HA ILE 11 HA ILE 11 3.697 -7.956 -6.557 786 HB ILE 11 HB ILE 11 1.591 -8.418 -8.693 787 1HG1 ILE 11 1HG1 ILE 11 1.517 -8.590 -5.644 788 2HG1 ILE 11 2HG1 ILE 11 0.934 -7.223 -6.586 789 1HG2 ILE 11 1HG2 ILE 11 1.403 -10.736 -7.871 790 2HG2 ILE 11 2HG2 ILE 11 2.973 -10.446 -8.585 791 3HG2 ILE 11 3HG2 ILE 11 2.811 -10.478 -6.818 792 1HD1 ILE 11 1HD1 ILE 11 -0.235 -10.029 -6.619 793 2HD1 ILE 11 2HD1 ILE 11 -0.956 -8.559 -5.969 794 3HD1 ILE 11 3HD1 ILE 11 -0.721 -8.719 -7.719 795 H ASP 12 H ASP 12 3.480 -7.624 -10.123 796 HA ASP 12 HA ASP 12 5.221 -9.768 -10.698 797 1HB ASP 12 1HB ASP 12 3.671 -8.873 -12.353 798 2HB ASP 12 2HB ASP 12 4.517 -7.316 -12.363 799 H VAL 13 H VAL 13 5.885 -6.214 -10.586 800 HA VAL 13 HA VAL 13 8.646 -6.476 -11.285 801 HB VAL 13 HB VAL 13 7.124 -4.322 -9.767 802 1HG1 VAL 13 1HG1 VAL 13 9.504 -4.127 -9.155 803 2HG1 VAL 13 2HG1 VAL 13 9.976 -4.267 -10.861 804 3HG1 VAL 13 3HG1 VAL 13 9.069 -2.849 -10.295 805 1HG2 VAL 13 1HG2 VAL 13 7.253 -3.140 -11.903 806 2HG2 VAL 13 2HG2 VAL 13 8.185 -4.461 -12.631 807 3HG2 VAL 13 3HG2 VAL 13 6.490 -4.708 -12.177 808 H PHE 14 H PHE 14 6.995 -6.323 -8.068 809 HA PHE 14 HA PHE 14 9.332 -6.570 -6.497 810 1HB PHE 14 1HB PHE 14 7.110 -6.093 -5.574 811 2HB PHE 14 2HB PHE 14 6.545 -7.696 -6.023 812 HD1 PHE 14 HD1 PHE 14 7.468 -9.759 -4.896 813 HD2 PHE 14 HD2 PHE 14 8.626 -5.797 -3.668 814 HE1 PHE 14 HE1 PHE 14 8.215 -10.646 -2.735 815 HE2 PHE 14 HE2 PHE 14 9.458 -6.731 -1.505 816 HZ PHE 14 HZ PHE 14 9.241 -9.143 -1.048 817 H HIS 15 H HIS 15 7.207 -9.174 -7.790 818 HA HIS 15 HA HIS 15 8.597 -11.359 -6.710 819 1HB HIS 15 1HB HIS 15 6.333 -11.450 -7.613 820 2HB HIS 15 2HB HIS 15 6.932 -11.127 -9.241 821 HD1 HIS 15 HD1 HIS 15 6.049 -13.988 -7.049 822 HD2 HIS 15 HD2 HIS 15 8.540 -13.137 -10.347 823 HE1 HIS 15 HE1 HIS 15 6.453 -16.194 -8.287 824 H GLN 16 H GLN 16 8.942 -9.786 -9.906 825 HA GLN 16 HA GLN 16 10.905 -11.405 -11.053 826 1HB GLN 16 1HB GLN 16 9.615 -9.582 -12.173 827 2HB GLN 16 2HB GLN 16 10.541 -8.395 -11.257 828 1HG GLN 16 1HG GLN 16 12.561 -9.865 -12.483 829 2HG GLN 16 2HG GLN 16 11.277 -9.939 -13.684 830 1HE2 GLN 16 1HE2 GLN 16 10.090 -7.573 -13.857 831 2HE2 GLN 16 2HE2 GLN 16 11.241 -6.263 -14.042 832 H TYR 17 H TYR 17 11.379 -8.466 -8.993 833 HA TYR 17 HA TYR 17 14.275 -8.678 -9.041 834 1HB TYR 17 1HB TYR 17 12.278 -7.082 -7.430 835 2HB TYR 17 2HB TYR 17 13.981 -7.123 -6.992 836 HD1 TYR 17 HD1 TYR 17 12.034 -6.700 -10.241 837 HD2 TYR 17 HD2 TYR 17 15.262 -5.355 -7.720 838 HE1 TYR 17 HE1 TYR 17 12.507 -4.876 -11.824 839 HE2 TYR 17 HE2 TYR 17 15.766 -3.555 -9.360 840 HH TYR 17 HH TYR 17 15.232 -2.610 -11.369 841 H SER 18 H SER 18 11.809 -9.543 -6.605 842 HA SER 18 HA SER 18 13.474 -10.631 -4.616 843 1HB SER 18 1HB SER 18 10.677 -11.470 -5.469 844 2HB SER 18 2HB SER 18 11.456 -11.848 -3.919 845 HG SER 18 HG SER 18 10.605 -9.354 -4.932 846 H GLY 19 H GLY 19 12.364 -12.115 -7.681 847 1HA GLY 19 1HA GLY 19 12.958 -14.827 -7.161 848 2HA GLY 19 2HA GLY 19 13.010 -14.004 -8.730 849 H ARG 20 H ARG 20 15.060 -12.020 -7.778 850 HA ARG 20 HA ARG 20 17.307 -13.632 -8.636 851 1HB ARG 20 1HB ARG 20 17.282 -10.694 -7.861 852 2HB ARG 20 2HB ARG 20 18.464 -11.579 -8.835 853 1HG ARG 20 1HG ARG 20 16.185 -12.191 -10.227 854 2HG ARG 20 2HG ARG 20 15.654 -10.688 -9.518 855 1HD ARG 20 1HD ARG 20 18.347 -10.745 -10.910 856 2HD ARG 20 2HD ARG 20 16.886 -10.715 -11.874 857 HE ARG 20 HE ARG 20 17.963 -8.553 -10.222 858 1HH1 ARG 20 1HH2 ARG 20 14.975 -9.834 -11.612 859 2HH1 ARG 20 2HH2 ARG 20 14.372 -8.266 -12.116 860 1HH2 ARG 20 1HH1 ARG 20 17.011 -6.477 -10.585 861 2HH2 ARG 20 2HH1 ARG 20 15.464 -6.363 -11.385 862 H GLU 21 H GLU 21 16.558 -11.744 -5.648 863 HA GLU 21 HA GLU 21 18.051 -13.771 -4.131 864 1HB GLU 21 1HB GLU 21 18.758 -10.852 -3.750 865 2HB GLU 21 2HB GLU 21 19.354 -12.229 -2.830 866 1HG GLU 21 1HG GLU 21 20.417 -13.134 -4.899 867 2HG GLU 21 2HG GLU 21 19.907 -11.677 -5.773 868 H GLY 22 H GLY 22 16.427 -14.482 -2.980 869 1HA GLY 22 1HA GLY 22 15.274 -14.182 -0.879 870 2HA GLY 22 2HA GLY 22 14.673 -12.618 -1.412 871 H ASP 23 H ASP 23 14.786 -15.039 -3.832 872 HA ASP 23 HA ASP 23 13.288 -16.257 -4.957 873 1HB ASP 23 1HB ASP 23 14.248 -17.819 -3.336 874 2HB ASP 23 2HB ASP 23 12.992 -17.403 -2.155 875 H LYS 24 H LYS 24 11.893 -14.435 -5.389 876 HA LYS 24 HA LYS 24 9.820 -13.820 -6.003 877 1HB LYS 24 1HB LYS 24 8.744 -16.191 -4.433 878 2HB LYS 24 2HB LYS 24 7.925 -15.242 -5.670 879 1HG LYS 24 1HG LYS 24 9.401 -16.042 -7.403 880 2HG LYS 24 2HG LYS 24 10.394 -16.933 -6.231 881 1HD LYS 24 1HD LYS 24 8.569 -18.386 -5.617 882 2HD LYS 24 2HD LYS 24 7.397 -17.418 -6.518 883 1HE LYS 24 1HE LYS 24 8.568 -18.005 -8.648 884 2HE LYS 24 2HE LYS 24 9.660 -19.059 -7.726 885 1HZ LYS 24 1HZ LYS 24 7.738 -20.325 -7.045 886 2HZ LYS 24 2HZ LYS 24 6.728 -19.316 -7.865 887 3HZ LYS 24 3HZ LYS 24 7.813 -20.246 -8.687 888 H HIS 25 H HIS 25 9.710 -14.824 -2.597 889 HA HIS 25 HA HIS 25 7.633 -12.905 -1.946 890 1HB HIS 25 1HB HIS 25 7.453 -14.056 0.096 891 2HB HIS 25 2HB HIS 25 7.590 -15.239 -1.200 892 HD1 HIS 25 HD1 HIS 25 10.930 -15.288 -1.240 893 HD2 HIS 25 HD2 HIS 25 8.262 -15.620 2.020 894 HE1 HIS 25 HE1 HIS 25 12.160 -16.521 0.588 895 H LYS 26 H LYS 26 11.183 -12.884 -1.443 896 HA LYS 26 HA LYS 26 10.762 -10.376 0.093 897 1HB LYS 26 1HB LYS 26 12.898 -12.386 0.836 898 2HB LYS 26 2HB LYS 26 12.440 -10.876 1.643 899 1HG LYS 26 1HG LYS 26 10.096 -12.038 1.967 900 2HG LYS 26 2HG LYS 26 10.992 -13.518 1.613 901 1HD LYS 26 1HD LYS 26 12.597 -12.949 3.444 902 2HD LYS 26 2HD LYS 26 11.647 -11.489 3.797 903 1HE LYS 26 1HE LYS 26 10.943 -13.065 5.397 904 2HE LYS 26 2HE LYS 26 9.642 -13.055 4.196 905 1HZ LYS 26 1HZ LYS 26 10.660 -15.052 3.252 906 2HZ LYS 26 2HZ LYS 26 11.832 -15.011 4.408 907 3HZ LYS 26 3HZ LYS 26 10.261 -15.264 4.836 908 H LEU 27 H LEU 27 12.510 -8.928 0.108 909 HA LEU 27 HA LEU 27 14.376 -9.088 -2.240 910 1HB LEU 27 1HB LEU 27 13.046 -6.740 -0.827 911 2HB LEU 27 2HB LEU 27 14.339 -6.548 -2.010 912 HG LEU 27 HG LEU 27 11.659 -7.834 -2.642 913 1HD1 LEU 27 1HD1 LEU 27 12.632 -4.971 -3.098 914 2HD1 LEU 27 2HD1 LEU 27 11.103 -5.640 -3.689 915 3HD1 LEU 27 3HD1 LEU 27 11.374 -5.455 -1.943 916 1HD2 LEU 27 1HD2 LEU 27 12.248 -7.404 -4.965 917 2HD2 LEU 27 2HD2 LEU 27 13.757 -6.606 -4.486 918 3HD2 LEU 27 3HD2 LEU 27 13.555 -8.352 -4.233 919 H LYS 28 H LYS 28 16.488 -9.348 -1.539 920 HA LYS 28 HA LYS 28 17.290 -8.640 1.195 921 1HB LYS 28 1HB LYS 28 19.031 -9.118 -1.252 922 2HB LYS 28 2HB LYS 28 19.547 -9.092 0.444 923 1HG LYS 28 1HG LYS 28 17.545 -10.955 0.533 924 2HG LYS 28 2HG LYS 28 18.096 -11.124 -1.141 925 1HD LYS 28 1HD LYS 28 20.405 -11.550 -0.344 926 2HD LYS 28 2HD LYS 28 19.916 -11.181 1.325 927 1HE LYS 28 1HE LYS 28 20.185 -13.635 0.850 928 2HE LYS 28 2HE LYS 28 18.636 -13.161 1.548 929 1HZ LYS 28 1HZ LYS 28 19.115 -13.688 -1.299 930 2HZ LYS 28 2HZ LYS 28 18.369 -14.702 -0.235 931 3HZ LYS 28 3HZ LYS 28 17.669 -13.263 -0.617 932 H LYS 29 H LYS 29 19.121 -6.979 1.498 933 HA LYS 29 HA LYS 29 18.315 -4.414 0.703 934 1HB LYS 29 1HB LYS 29 20.483 -3.628 1.508 935 2HB LYS 29 2HB LYS 29 19.722 -4.758 2.614 936 1HG LYS 29 1HG LYS 29 21.275 -6.579 1.549 937 2HG LYS 29 2HG LYS 29 22.087 -5.221 0.760 938 1HD LYS 29 1HD LYS 29 23.355 -5.613 2.700 939 2HD LYS 29 2HD LYS 29 22.372 -4.197 3.107 940 1HE LYS 29 1HE LYS 29 20.775 -5.694 4.343 941 2HE LYS 29 2HE LYS 29 21.756 -7.097 3.881 942 1HZ LYS 29 1HZ LYS 29 22.274 -6.395 6.055 943 2HZ LYS 29 2HZ LYS 29 23.581 -6.087 5.098 944 3HZ LYS 29 3HZ LYS 29 22.586 -4.854 5.574 945 H SER 30 H SER 30 20.570 -6.653 -0.960 946 HA SER 30 HA SER 30 21.596 -4.893 -2.914 947 1HB SER 30 1HB SER 30 21.535 -7.252 -4.185 948 2HB SER 30 2HB SER 30 22.630 -6.982 -2.814 949 HG SER 30 HG SER 30 21.211 -8.930 -2.742 950 H GLU 31 H GLU 31 18.648 -7.034 -2.934 951 HA GLU 31 HA GLU 31 17.877 -6.090 -5.555 952 1HB GLU 31 1HB GLU 31 16.044 -7.383 -3.516 953 2HB GLU 31 2HB GLU 31 15.883 -7.330 -5.283 954 1HG GLU 31 1HG GLU 31 17.899 -8.860 -3.629 955 2HG GLU 31 2HG GLU 31 16.681 -9.517 -4.729 956 H LEU 32 H LEU 32 16.907 -5.207 -2.270 957 HA LEU 32 HA LEU 32 14.781 -3.510 -2.872 958 1HB LEU 32 1HB LEU 32 15.673 -4.515 -0.649 959 2HB LEU 32 2HB LEU 32 16.706 -3.080 -0.555 960 HG LEU 32 HG LEU 32 14.701 -3.007 0.830 961 1HD1 LEU 32 1HD1 LEU 32 14.459 -0.954 -1.374 962 2HD1 LEU 32 2HD1 LEU 32 13.883 -0.810 0.300 963 3HD1 LEU 32 3HD1 LEU 32 15.618 -0.871 -0.032 964 1HD2 LEU 32 1HD2 LEU 32 12.983 -2.955 -1.670 965 2HD2 LEU 32 2HD2 LEU 32 13.203 -4.365 -0.601 966 3HD2 LEU 32 3HD2 LEU 32 12.460 -2.882 0.018 967 H LYS 33 H LYS 33 18.310 -2.727 -2.563 968 HA LYS 33 HA LYS 33 17.969 0.041 -3.006 969 1HB LYS 33 1HB LYS 33 20.188 0.257 -3.000 970 2HB LYS 33 2HB LYS 33 20.080 -1.357 -2.296 971 1HG LYS 33 1HG LYS 33 20.551 -2.297 -4.591 972 2HG LYS 33 2HG LYS 33 20.937 -0.656 -5.116 973 1HD LYS 33 1HD LYS 33 22.239 -2.239 -2.847 974 2HD LYS 33 2HD LYS 33 22.929 -1.984 -4.448 975 1HE LYS 33 1HE LYS 33 22.406 0.213 -2.376 976 2HE LYS 33 2HE LYS 33 23.967 -0.504 -2.778 977 1HZ LYS 33 1HZ LYS 33 23.680 1.531 -3.875 978 2HZ LYS 33 2HZ LYS 33 23.717 0.326 -5.001 979 3HZ LYS 33 3HZ LYS 33 22.281 1.038 -4.607 980 H GLU 34 H GLU 34 18.538 -2.583 -5.434 981 HA GLU 34 HA GLU 34 18.691 -0.645 -7.578 982 1HB GLU 34 1HB GLU 34 18.486 -2.554 -9.126 983 2HB GLU 34 2HB GLU 34 19.825 -2.670 -7.977 984 1HG GLU 34 1HG GLU 34 18.620 -4.278 -6.636 985 2HG GLU 34 2HG GLU 34 17.178 -4.133 -7.636 986 H LEU 35 H LEU 35 16.061 -2.699 -6.278 987 HA LEU 35 HA LEU 35 13.989 -2.015 -8.046 988 1HB LEU 35 1HB LEU 35 13.855 -3.690 -6.280 989 2HB LEU 35 2HB LEU 35 14.028 -2.467 -5.039 990 HG LEU 35 HG LEU 35 11.798 -3.360 -5.174 991 1HD1 LEU 35 1HD1 LEU 35 12.165 -0.960 -4.492 992 2HD1 LEU 35 2HD1 LEU 35 11.555 -0.482 -6.096 993 3HD1 LEU 35 3HD1 LEU 35 10.531 -1.378 -4.989 994 1HD2 LEU 35 1HD2 LEU 35 10.279 -3.052 -7.018 995 2HD2 LEU 35 2HD2 LEU 35 11.515 -2.175 -7.957 996 3HD2 LEU 35 3HD2 LEU 35 11.728 -3.901 -7.587 997 H ILE 36 H ILE 36 14.955 -0.254 -5.005 998 HA ILE 36 HA ILE 36 13.077 1.828 -5.530 999 HB ILE 36 HB ILE 36 15.455 1.764 -3.651 1000 1HG1 ILE 36 1HG1 ILE 36 12.412 1.555 -3.320 1001 2HG1 ILE 36 2HG1 ILE 36 13.582 0.245 -3.138 1002 1HG2 ILE 36 1HG2 ILE 36 14.430 3.828 -2.654 1003 2HG2 ILE 36 2HG2 ILE 36 15.039 4.126 -4.271 1004 3HG2 ILE 36 3HG2 ILE 36 13.297 3.898 -4.003 1005 1HD1 ILE 36 1HD1 ILE 36 14.596 1.504 -1.197 1006 2HD1 ILE 36 2HD1 ILE 36 13.246 2.654 -1.307 1007 3HD1 ILE 36 3HD1 ILE 36 12.915 0.967 -0.955 1008 H ASN 37 H ASN 37 16.661 1.836 -6.058 1009 HA ASN 37 HA ASN 37 16.817 4.415 -7.190 1010 1HB ASN 37 1HB ASN 37 18.369 1.887 -7.886 1011 2HB ASN 37 2HB ASN 37 18.688 3.464 -8.635 1012 1HD2 ASN 37 2HD2 ASN 37 19.054 1.589 -5.728 1013 2HD2 ASN 37 1HD2 ASN 37 20.152 2.706 -4.930 1014 H ASN 38 H ASN 38 16.217 1.319 -8.976 1015 HA ASN 38 HA ASN 38 16.060 2.487 -11.541 1016 1HB ASN 38 1HB ASN 38 14.694 -0.017 -10.421 1017 2HB ASN 38 2HB ASN 38 14.849 0.406 -12.134 1018 1HD2 ASN 38 1HD2 ASN 38 17.772 1.414 -11.475 1019 2HD2 ASN 38 2HD2 ASN 38 18.638 -0.109 -11.486 1020 H GLU 39 H GLU 39 13.395 1.574 -9.273 1021 HA GLU 39 HA GLU 39 11.478 2.643 -11.230 1022 1HB GLU 39 1HB GLU 39 11.206 1.205 -8.569 1023 2HB GLU 39 2HB GLU 39 9.834 1.745 -9.540 1024 1HG GLU 39 1HG GLU 39 11.990 -0.131 -10.622 1025 2HG GLU 39 2HG GLU 39 10.489 -0.683 -9.882 1026 H LEU 40 H LEU 40 12.578 3.535 -7.934 1027 HA LEU 40 HA LEU 40 10.339 5.391 -7.710 1028 1HB LEU 40 1HB LEU 40 11.756 3.748 -5.918 1029 2HB LEU 40 2HB LEU 40 12.161 5.399 -5.459 1030 HG LEU 40 HG LEU 40 9.631 5.872 -5.476 1031 1HD1 LEU 40 1HD1 LEU 40 8.144 3.918 -5.276 1032 2HD1 LEU 40 2HD1 LEU 40 8.950 3.857 -6.849 1033 3HD1 LEU 40 3HD1 LEU 40 9.511 2.815 -5.528 1034 1HD2 LEU 40 1HD2 LEU 40 10.864 3.822 -3.609 1035 2HD2 LEU 40 2HD2 LEU 40 10.828 5.579 -3.398 1036 3HD2 LEU 40 3HD2 LEU 40 9.322 4.651 -3.280 1037 H SER 41 H SER 41 13.283 5.876 -9.102 1038 HA SER 41 HA SER 41 14.518 8.047 -8.068 1039 1HB SER 41 1HB SER 41 13.827 7.490 -10.972 1040 2HB SER 41 2HB SER 41 14.843 8.851 -10.472 1041 HG SER 41 HG SER 41 15.404 6.124 -9.855 1042 H HIS 42 H HIS 42 11.351 8.244 -9.687 1043 HA HIS 42 HA HIS 42 11.254 11.118 -9.830 1044 1HB HIS 42 1HB HIS 42 9.975 9.744 -11.321 1045 2HB HIS 42 2HB HIS 42 9.152 8.941 -9.990 1046 HD1 HIS 42 HD1 HIS 42 8.907 12.432 -9.033 1047 HD2 HIS 42 HD2 HIS 42 7.071 9.812 -11.769 1048 HE1 HIS 42 HE1 HIS 42 6.616 13.421 -9.574 1049 H PHE 43 H PHE 43 10.214 8.750 -7.335 1050 HA PHE 43 HA PHE 43 8.877 10.941 -5.791 1051 1HB PHE 43 1HB PHE 43 8.659 7.931 -5.779 1052 2HB PHE 43 2HB PHE 43 8.176 8.880 -4.400 1053 HD1 PHE 43 HD1 PHE 43 7.604 9.617 -8.076 1054 HD2 PHE 43 HD2 PHE 43 5.864 8.725 -4.235 1055 HE1 PHE 43 HE1 PHE 43 5.358 9.585 -9.095 1056 HE2 PHE 43 HE2 PHE 43 3.652 8.539 -5.274 1057 HZ PHE 43 HZ PHE 43 3.389 8.935 -7.728 1058 H LEU 44 H LEU 44 11.822 9.032 -5.791 1059 HA LEU 44 HA LEU 44 12.578 10.119 -3.165 1060 1HB LEU 44 1HB LEU 44 11.354 7.829 -3.134 1061 2HB LEU 44 2HB LEU 44 12.800 7.155 -3.890 1062 HG LEU 44 HG LEU 44 12.771 8.746 -1.308 1063 1HD1 LEU 44 1HD1 LEU 44 12.670 5.731 -1.663 1064 2HD1 LEU 44 2HD1 LEU 44 12.749 6.580 -0.101 1065 3HD1 LEU 44 3HD1 LEU 44 11.312 6.749 -1.121 1066 1HD2 LEU 44 1HD2 LEU 44 14.805 6.871 -2.596 1067 2HD2 LEU 44 2HD2 LEU 44 15.061 8.546 -2.055 1068 3HD2 LEU 44 3HD2 LEU 44 14.860 7.257 -0.869 1069 H GLU 45 H GLU 45 14.822 10.499 -3.118 1070 HA GLU 45 HA GLU 45 16.190 10.730 -5.600 1071 1HB GLU 45 1HB GLU 45 17.478 10.539 -2.854 1072 2HB GLU 45 2HB GLU 45 18.139 11.318 -4.289 1073 1HG GLU 45 1HG GLU 45 16.238 12.971 -4.213 1074 2HG GLU 45 2HG GLU 45 15.725 12.251 -2.671 1075 H GLU 46 H GLU 46 18.258 9.666 -6.199 1076 HA GLU 46 HA GLU 46 18.267 6.828 -6.173 1077 1HB GLU 46 1HB GLU 46 20.330 6.983 -7.265 1078 2HB GLU 46 2HB GLU 46 19.410 8.388 -7.819 1079 1HG GLU 46 1HG GLU 46 20.609 9.696 -5.916 1080 2HG GLU 46 2HG GLU 46 21.570 8.228 -5.714 1081 H ILE 47 H ILE 47 19.405 5.435 -4.909 1082 HA ILE 47 HA ILE 47 19.791 6.342 -2.113 1083 HB ILE 47 HB ILE 47 20.029 3.498 -3.158 1084 1HG1 ILE 47 1HG1 ILE 47 17.806 4.304 -3.807 1085 2HG1 ILE 47 2HG1 ILE 47 17.730 3.107 -2.502 1086 1HG2 ILE 47 1HG2 ILE 47 20.986 3.726 -0.985 1087 2HG2 ILE 47 2HG2 ILE 47 19.631 4.713 -0.411 1088 3HG2 ILE 47 3HG2 ILE 47 19.387 2.999 -0.774 1089 1HD1 ILE 47 1HD1 ILE 47 17.509 6.130 -2.118 1090 2HD1 ILE 47 2HD1 ILE 47 16.182 4.971 -2.140 1091 3HD1 ILE 47 3HD1 ILE 47 17.372 4.890 -0.841 1092 H LYS 48 H LYS 48 21.601 4.528 -4.541 1093 HA LYS 48 HA LYS 48 23.631 3.729 -4.715 1094 1HB LYS 48 1HB LYS 48 25.508 5.288 -4.668 1095 2HB LYS 48 2HB LYS 48 24.118 5.790 -5.632 1096 1HG LYS 48 1HG LYS 48 23.445 7.417 -3.933 1097 2HG LYS 48 2HG LYS 48 24.768 6.886 -2.871 1098 1HD LYS 48 1HD LYS 48 26.404 7.552 -4.649 1099 2HD LYS 48 2HD LYS 48 25.047 8.165 -5.620 1100 1HE LYS 48 1HE LYS 48 24.439 9.711 -3.748 1101 2HE LYS 48 2HE LYS 48 25.819 9.102 -2.811 1102 1HZ LYS 48 1HZ LYS 48 25.976 10.475 -5.405 1103 2HZ LYS 48 2HZ LYS 48 27.260 9.915 -4.537 1104 3HZ LYS 48 3HZ LYS 48 26.330 11.136 -3.939 1105 H GLU 49 H GLU 49 23.861 5.494 -1.594 1106 HA GLU 49 HA GLU 49 25.990 3.968 -0.527 1107 1HB GLU 49 1HB GLU 49 23.745 5.544 0.772 1108 2HB GLU 49 2HB GLU 49 25.120 4.866 1.664 1109 1HG GLU 49 1HG GLU 49 26.681 6.223 0.298 1110 2HG GLU 49 2HG GLU 49 25.308 6.932 -0.570 1111 H GLN 50 H GLN 50 25.941 1.799 -0.171 1112 HA GLN 50 HA GLN 50 23.753 0.143 0.138 1113 1HB GLN 50 1HB GLN 50 26.055 -0.582 -0.272 1114 2HB GLN 50 2HB GLN 50 26.442 -0.314 1.440 1115 1HG GLN 50 1HG GLN 50 24.774 -1.979 2.120 1116 2HG GLN 50 2HG GLN 50 24.167 -2.128 0.464 1117 1HE2 GLN 50 1HE2 GLN 50 25.836 -2.836 -1.220 1118 2HE2 GLN 50 2HE2 GLN 50 26.961 -4.077 -0.690 1119 H GLU 51 H GLU 51 25.411 2.132 2.535 1120 HA GLU 51 HA GLU 51 24.311 1.131 4.940 1121 1HB GLU 51 1HB GLU 51 25.126 3.998 4.228 1122 2HB GLU 51 2HB GLU 51 24.847 3.349 5.841 1123 1HG GLU 51 1HG GLU 51 27.180 3.358 5.597 1124 2HG GLU 51 2HG GLU 51 26.699 1.667 5.441 1125 H VAL 52 H VAL 52 22.999 3.454 2.529 1126 HA VAL 52 HA VAL 52 20.868 4.328 4.322 1127 HB VAL 52 HB VAL 52 21.346 4.801 1.362 1128 1HG1 VAL 52 1HG1 VAL 52 18.926 5.027 1.951 1129 2HG1 VAL 52 2HG1 VAL 52 19.372 6.190 3.216 1130 3HG1 VAL 52 3HG1 VAL 52 19.688 6.544 1.501 1131 1HG2 VAL 52 1HG2 VAL 52 21.705 6.667 3.756 1132 2HG2 VAL 52 2HG2 VAL 52 23.046 5.771 3.028 1133 3HG2 VAL 52 3HG2 VAL 52 22.177 6.963 2.070 1134 H VAL 53 H VAL 53 21.117 2.202 1.403 1135 HA VAL 53 HA VAL 53 18.380 1.428 1.458 1136 HB VAL 53 HB VAL 53 19.481 0.775 -0.470 1137 1HG1 VAL 53 1HG1 VAL 53 21.738 0.566 0.367 1138 2HG1 VAL 53 2HG1 VAL 53 21.339 -0.978 1.187 1139 3HG1 VAL 53 3HG1 VAL 53 21.305 -0.870 -0.568 1140 1HG2 VAL 53 1HG2 VAL 53 18.737 -1.488 -0.631 1141 2HG2 VAL 53 2HG2 VAL 53 19.031 -1.809 1.074 1142 3HG2 VAL 53 3HG2 VAL 53 17.713 -0.728 0.579 1143 H ASP 54 H ASP 54 21.242 0.001 3.142 1144 HA ASP 54 HA ASP 54 19.917 -2.024 4.518 1145 1HB ASP 54 1HB ASP 54 22.345 -1.764 4.531 1146 2HB ASP 54 2HB ASP 54 22.213 -0.305 5.524 1147 H LYS 55 H LYS 55 20.368 1.422 5.595 1148 HA LYS 55 HA LYS 55 18.971 1.087 8.008 1149 1HB LYS 55 1HB LYS 55 20.417 2.978 7.472 1150 2HB LYS 55 2HB LYS 55 19.228 3.627 6.336 1151 1HG LYS 55 1HG LYS 55 18.295 3.033 9.147 1152 2HG LYS 55 2HG LYS 55 19.437 4.367 8.933 1153 1HD LYS 55 1HD LYS 55 17.962 5.535 7.422 1154 2HD LYS 55 2HD LYS 55 16.847 4.168 7.331 1155 1HE LYS 55 1HE LYS 55 15.982 5.930 8.814 1156 2HE LYS 55 2HE LYS 55 16.233 4.407 9.678 1157 1HZ LYS 55 1HZ LYS 55 18.270 5.290 10.538 1158 2HZ LYS 55 2HZ LYS 55 18.076 6.705 9.721 1159 3HZ LYS 55 3HZ LYS 55 17.017 6.288 10.911 1160 H VAL 56 H VAL 56 17.627 2.223 4.813 1161 HA VAL 56 HA VAL 56 15.010 2.546 5.972 1162 HB VAL 56 HB VAL 56 14.094 2.794 3.795 1163 1HG1 VAL 56 1HG1 VAL 56 15.355 4.711 3.017 1164 2HG1 VAL 56 2HG1 VAL 56 15.292 4.703 4.786 1165 3HG1 VAL 56 3HG1 VAL 56 16.786 4.226 3.940 1166 1HG2 VAL 56 1HG2 VAL 56 16.766 1.924 2.716 1167 2HG2 VAL 56 2HG2 VAL 56 15.215 1.093 2.464 1168 3HG2 VAL 56 3HG2 VAL 56 15.495 2.681 1.741 1169 H MET 57 H MET 57 16.493 -0.199 4.144 1170 HA MET 57 HA MET 57 14.043 -1.659 4.166 1171 1HB MET 57 1HB MET 57 15.182 -3.408 3.155 1172 2HB MET 57 2HB MET 57 15.872 -1.911 2.559 1173 1HG MET 57 1HG MET 57 17.794 -3.022 2.863 1174 2HG MET 57 2HG MET 57 17.655 -2.357 4.484 1175 1HE MET 57 1HE MET 57 16.877 -6.703 3.230 1176 2HE MET 57 2HE MET 57 15.469 -5.631 3.294 1177 3HE MET 57 3HE MET 57 16.797 -5.277 2.173 1178 H GLU 58 H GLU 58 16.844 -1.685 6.403 1179 HA GLU 58 HA GLU 58 15.899 -3.589 8.262 1180 1HB GLU 58 1HB GLU 58 18.130 -2.617 8.355 1181 2HB GLU 58 2HB GLU 58 17.468 -1.006 8.695 1182 1HG GLU 58 1HG GLU 58 16.611 -1.760 10.857 1183 2HG GLU 58 2HG GLU 58 17.082 -3.424 10.489 1184 H THR 59 H THR 59 15.245 -0.069 8.056 1185 HA THR 59 HA THR 59 13.510 0.160 10.270 1186 HB THR 59 HB THR 59 13.639 1.683 7.638 1187 HG1 THR 59 HG1 THR 59 15.405 1.890 8.911 1188 1HG2 THR 59 1HG2 THR 59 12.392 3.489 8.731 1189 2HG2 THR 59 2HG2 THR 59 11.410 2.086 8.316 1190 3HG2 THR 59 3HG2 THR 59 11.914 2.350 10.014 1191 H LEU 60 H LEU 60 12.804 -0.983 6.947 1192 HA LEU 60 HA LEU 60 9.917 -1.068 7.467 1193 1HB LEU 60 1HB LEU 60 11.586 -2.280 5.231 1194 2HB LEU 60 2HB LEU 60 9.828 -2.227 5.285 1195 HG LEU 60 HG LEU 60 11.530 0.295 5.291 1196 1HD1 LEU 60 1HD1 LEU 60 11.929 -0.996 3.241 1197 2HD1 LEU 60 2HD1 LEU 60 10.187 -1.175 2.985 1198 3HD1 LEU 60 3HD1 LEU 60 10.957 0.431 2.896 1199 1HD2 LEU 60 1HD2 LEU 60 9.348 0.619 6.258 1200 2HD2 LEU 60 2HD2 LEU 60 9.351 1.315 4.643 1201 3HD2 LEU 60 3HD2 LEU 60 8.568 -0.261 4.929 1202 H ASP 61 H ASP 61 12.544 -3.324 7.396 1203 HA ASP 61 HA ASP 61 11.481 -5.782 7.129 1204 1HB ASP 61 1HB ASP 61 13.824 -5.362 7.138 1205 2HB ASP 61 2HB ASP 61 13.792 -4.986 8.866 1206 H SER 62 H SER 62 9.373 -5.250 8.257 1207 HA SER 62 HA SER 62 8.952 -5.678 10.994 1208 1HB SER 62 1HB SER 62 7.143 -6.335 8.624 1209 2HB SER 62 2HB SER 62 6.626 -6.133 10.308 1210 HG SER 62 HG SER 62 8.020 -4.077 8.889 1211 H ASP 63 H ASP 63 9.625 -7.971 8.410 1212 HA ASP 63 HA ASP 63 8.802 -10.348 9.866 1213 1HB ASP 63 1HB ASP 63 10.564 -9.861 7.424 1214 2HB ASP 63 2HB ASP 63 10.301 -11.459 8.128 1215 H GLY 64 H GLY 64 11.484 -8.159 10.245 1216 1HA GLY 64 1HA GLY 64 13.493 -8.320 11.298 1217 2HA GLY 64 2HA GLY 64 12.741 -9.565 12.310 1218 H ASP 65 H ASP 65 13.341 -9.653 8.776 1219 HA ASP 65 HA ASP 65 14.891 -12.199 9.149 1220 1HB ASP 65 1HB ASP 65 12.592 -12.405 8.201 1221 2HB ASP 65 2HB ASP 65 13.054 -11.310 6.882 1222 H GLY 66 H GLY 66 15.446 -9.020 8.613 1223 1HA GLY 66 1HA GLY 66 17.120 -7.884 7.593 1224 2HA GLY 66 2HA GLY 66 17.772 -9.372 6.878 1225 H GLU 67 H GLU 67 16.130 -10.399 5.298 1226 HA GLU 67 HA GLU 67 15.750 -8.758 3.039 1227 1HB GLU 67 1HB GLU 67 14.154 -11.265 3.602 1228 2HB GLU 67 2HB GLU 67 14.690 -10.590 2.058 1229 1HG GLU 67 1HG GLU 67 17.083 -11.102 2.804 1230 2HG GLU 67 2HG GLU 67 16.384 -11.993 4.168 1231 H CYS 68 H CYS 68 13.976 -7.568 2.310 1232 HA CYS 68 HA CYS 68 11.762 -7.045 4.232 1233 1HB CYS 68 1HB CYS 68 12.783 -5.706 1.708 1234 2HB CYS 68 2HB CYS 68 11.124 -5.415 2.288 1235 HG CYS 68 HG CYS 68 12.618 -3.470 3.068 1236 H ASP 69 H ASP 69 9.841 -8.138 4.062 1237 HA ASP 69 HA ASP 69 9.394 -9.959 1.844 1238 1HB ASP 69 1HB ASP 69 8.773 -10.477 4.167 1239 2HB ASP 69 2HB ASP 69 7.611 -9.131 4.171 1240 H PHE 70 H PHE 70 7.378 -9.905 0.544 1241 HA PHE 70 HA PHE 70 6.763 -7.553 -0.806 1242 1HB PHE 70 1HB PHE 70 5.964 -9.764 -1.476 1243 2HB PHE 70 2HB PHE 70 4.847 -9.815 -0.138 1244 HD1 PHE 70 HD1 PHE 70 2.829 -8.165 -0.161 1245 HD2 PHE 70 HD2 PHE 70 5.584 -8.457 -3.447 1246 HE1 PHE 70 HE1 PHE 70 1.550 -6.456 -1.404 1247 HE2 PHE 70 HE2 PHE 70 4.351 -6.706 -4.665 1248 HZ PHE 70 HZ PHE 70 2.366 -5.651 -3.635 1249 H GLN 71 H GLN 71 5.371 -8.667 2.302 1250 HA GLN 71 HA GLN 71 3.452 -6.654 2.524 1251 1HB GLN 71 1HB GLN 71 3.777 -8.743 3.969 1252 2HB GLN 71 2HB GLN 71 5.028 -7.873 4.844 1253 1HG GLN 71 1HG GLN 71 2.865 -7.759 6.016 1254 2HG GLN 71 2HG GLN 71 3.418 -6.152 5.526 1255 1HE2 GLN 71 2HE2 GLN 71 1.763 -8.779 3.666 1256 2HE2 GLN 71 1HE2 GLN 71 0.477 -7.753 3.048 1257 H GLU 72 H GLU 72 6.842 -6.550 3.804 1258 HA GLU 72 HA GLU 72 6.851 -3.934 4.851 1259 1HB GLU 72 1HB GLU 72 8.982 -5.653 3.473 1260 2HB GLU 72 2HB GLU 72 9.302 -4.062 4.137 1261 1HG GLU 72 1HG GLU 72 9.914 -5.482 5.716 1262 2HG GLU 72 2HG GLU 72 8.363 -4.883 6.355 1263 H PHE 73 H PHE 73 7.784 -5.098 1.653 1264 HA PHE 73 HA PHE 73 8.285 -2.622 0.370 1265 1HB PHE 73 1HB PHE 73 8.859 -4.563 -0.781 1266 2HB PHE 73 2HB PHE 73 7.283 -5.296 -0.587 1267 HD1 PHE 73 HD1 PHE 73 5.386 -4.735 -2.037 1268 HD2 PHE 73 HD2 PHE 73 9.294 -2.995 -2.635 1269 HE1 PHE 73 HE1 PHE 73 4.769 -4.136 -4.345 1270 HE2 PHE 73 HE2 PHE 73 8.752 -2.663 -5.036 1271 HZ PHE 73 HZ PHE 73 6.507 -3.186 -5.898 1272 H MET 74 H MET 74 5.123 -4.325 0.731 1273 HA MET 74 HA MET 74 3.681 -2.351 -0.671 1274 1HB MET 74 1HB MET 74 3.025 -4.780 -0.123 1275 2HB MET 74 2HB MET 74 2.483 -4.170 1.450 1276 1HG MET 74 1HG MET 74 0.621 -4.270 -0.095 1277 2HG MET 74 2HG MET 74 0.984 -2.566 0.222 1278 1HE MET 74 1HE MET 74 -0.262 -2.312 -3.441 1279 2HE MET 74 2HE MET 74 -0.929 -3.296 -2.126 1280 3HE MET 74 3HE MET 74 -0.351 -1.643 -1.796 1281 H ALA 75 H ALA 75 4.364 -2.726 2.784 1282 HA ALA 75 HA ALA 75 2.807 -0.507 3.719 1283 1HB ALA 75 1HB ALA 75 5.410 -1.621 4.851 1284 2HB ALA 75 2HB ALA 75 4.256 -0.570 5.695 1285 3HB ALA 75 3HB ALA 75 3.776 -2.212 5.218 1286 H PHE 76 H PHE 76 6.136 -0.747 2.483 1287 HA PHE 76 HA PHE 76 6.882 1.983 2.877 1288 1HB PHE 76 1HB PHE 76 8.523 0.349 2.599 1289 2HB PHE 76 2HB PHE 76 7.907 -0.154 1.040 1290 HD1 PHE 76 HD1 PHE 76 9.717 2.660 2.830 1291 HD2 PHE 76 HD2 PHE 76 8.487 0.914 -0.956 1292 HE1 PHE 76 HE1 PHE 76 11.152 4.241 1.602 1293 HE2 PHE 76 HE2 PHE 76 10.026 2.412 -2.136 1294 HZ PHE 76 HZ PHE 76 11.305 4.136 -0.882 1295 H VAL 77 H VAL 77 5.553 0.231 0.018 1296 HA VAL 77 HA VAL 77 5.147 2.429 -1.706 1297 HB VAL 77 HB VAL 77 3.658 -0.170 -1.276 1298 1HG1 VAL 77 1HG1 VAL 77 1.927 1.341 -2.139 1299 2HG1 VAL 77 2HG1 VAL 77 3.046 1.948 -3.382 1300 3HG1 VAL 77 3HG1 VAL 77 2.467 0.271 -3.433 1301 1HG2 VAL 77 1HG2 VAL 77 5.310 0.861 -3.610 1302 2HG2 VAL 77 2HG2 VAL 77 5.933 -0.209 -2.335 1303 3HG2 VAL 77 3HG2 VAL 77 4.641 -0.772 -3.412 1304 H ALA 78 H ALA 78 3.006 1.176 0.939 1305 HA ALA 78 HA ALA 78 0.935 2.990 0.506 1306 1HB ALA 78 1HB ALA 78 0.167 2.524 2.736 1307 2HB ALA 78 2HB ALA 78 0.779 1.031 2.002 1308 3HB ALA 78 3HB ALA 78 1.746 1.892 3.220 1309 H MET 79 H MET 79 3.755 3.466 2.743 1310 HA MET 79 HA MET 79 2.917 6.106 3.489 1311 1HB MET 79 1HB MET 79 5.244 6.504 4.230 1312 2HB MET 79 2HB MET 79 4.485 5.047 4.893 1313 1HG MET 79 1HG MET 79 5.695 3.674 3.314 1314 2HG MET 79 2HG MET 79 6.458 5.108 2.582 1315 1HE MET 79 1HE MET 79 7.611 3.282 6.634 1316 2HE MET 79 2HE MET 79 6.010 4.022 6.400 1317 3HE MET 79 3HE MET 79 6.455 2.548 5.496 1318 H ILE 80 H ILE 80 5.091 5.028 0.849 1319 HA ILE 80 HA ILE 80 5.871 7.591 -0.084 1320 HB ILE 80 HB ILE 80 5.453 4.922 -1.481 1321 1HG1 ILE 80 1HG1 ILE 80 7.215 5.177 0.386 1322 2HG1 ILE 80 2HG1 ILE 80 7.700 4.457 -1.149 1323 1HG2 ILE 80 1HG2 ILE 80 6.794 7.392 -2.611 1324 2HG2 ILE 80 2HG2 ILE 80 6.943 5.754 -3.287 1325 3HG2 ILE 80 3HG2 ILE 80 5.366 6.545 -3.252 1326 1HD1 ILE 80 1HD1 ILE 80 8.842 6.491 -1.810 1327 2HD1 ILE 80 2HD1 ILE 80 8.180 7.375 -0.418 1328 3HD1 ILE 80 3HD1 ILE 80 9.329 6.042 -0.166 1329 H THR 81 H THR 81 3.166 5.524 -1.028 1330 HA THR 81 HA THR 81 1.969 7.237 -2.955 1331 HB THR 81 HB THR 81 0.682 5.083 -1.210 1332 HG1 THR 81 HG1 THR 81 2.407 4.255 -2.366 1333 1HG2 THR 81 1HG2 THR 81 -0.985 6.478 -2.434 1334 2HG2 THR 81 2HG2 THR 81 -0.139 6.142 -3.951 1335 3HG2 THR 81 3HG2 THR 81 -0.909 4.824 -3.064 1336 H THR 82 H THR 82 1.487 6.871 0.610 1337 HA THR 82 HA THR 82 -0.779 8.566 0.813 1338 HB THR 82 HB THR 82 1.432 8.008 2.836 1339 HG1 THR 82 HG1 THR 82 0.236 6.207 2.144 1340 1HG2 THR 82 1HG2 THR 82 -1.301 9.301 3.182 1341 2HG2 THR 82 2HG2 THR 82 -0.298 8.679 4.511 1342 3HG2 THR 82 3HG2 THR 82 0.273 10.035 3.534 1343 H ALA 83 H ALA 83 2.742 9.351 1.132 1344 HA ALA 83 HA ALA 83 2.363 12.130 1.579 1345 1HB ALA 83 1HB ALA 83 4.640 10.681 0.164 1346 2HB ALA 83 2HB ALA 83 4.682 12.353 0.757 1347 3HB ALA 83 3HB ALA 83 4.512 11.012 1.904 1348 H CYS 84 H CYS 84 2.737 10.320 -1.508 1349 HA CYS 84 HA CYS 84 2.513 12.632 -3.176 1350 1HB CYS 84 1HB CYS 84 3.461 10.570 -4.003 1351 2HB CYS 84 2HB CYS 84 1.899 9.728 -3.824 1352 HG CYS 84 HG CYS 84 2.529 10.415 -6.360 1353 H HIS 85 H HIS 85 0.036 10.420 -1.889 1354 HA HIS 85 HA HIS 85 -2.193 11.434 -3.312 1355 1HB HIS 85 1HB HIS 85 -2.310 9.355 -2.040 1356 2HB HIS 85 2HB HIS 85 -2.033 10.212 -0.527 1357 HD1 HIS 85 HD1 HIS 85 -4.813 9.759 -3.155 1358 HD2 HIS 85 HD2 HIS 85 -4.078 11.393 0.649 1359 HE1 HIS 85 HE1 HIS 85 -7.077 10.467 -2.213 1360 H GLU 86 H GLU 86 -0.887 12.313 -0.065 1361 HA GLU 86 HA GLU 86 -2.691 14.428 0.423 1362 1HB GLU 86 1HB GLU 86 0.180 13.981 1.323 1363 2HB GLU 86 2HB GLU 86 -0.839 15.287 1.947 1364 1HG GLU 86 1HG GLU 86 -1.607 12.324 2.089 1365 2HG GLU 86 2HG GLU 86 -0.835 13.217 3.395 1366 H PHE 87 H PHE 87 0.493 14.575 -1.276 1367 HA PHE 87 HA PHE 87 0.356 17.322 -1.963 1368 1HB PHE 87 1HB PHE 87 2.313 16.631 -2.782 1369 2HB PHE 87 2HB PHE 87 1.776 14.970 -2.945 1370 HD1 PHE 87 HD1 PHE 87 1.016 18.253 -4.720 1371 HD2 PHE 87 HD2 PHE 87 2.048 14.079 -5.069 1372 HE1 PHE 87 HE1 PHE 87 0.963 18.442 -7.172 1373 HE2 PHE 87 HE2 PHE 87 1.989 14.274 -7.527 1374 HZ PHE 87 HZ PHE 87 1.441 16.457 -8.594 1375 H PHE 88 H PHE 88 -0.944 14.537 -3.758 1376 HA PHE 88 HA PHE 88 -2.064 15.955 -5.888 1377 1HB PHE 88 1HB PHE 88 -1.590 13.464 -5.522 1378 2HB PHE 88 2HB PHE 88 -3.190 13.367 -4.768 1379 HD1 PHE 88 HD1 PHE 88 -1.308 13.422 -7.869 1380 HD2 PHE 88 HD2 PHE 88 -5.239 13.996 -6.192 1381 HE1 PHE 88 HE1 PHE 88 -2.327 12.956 -10.084 1382 HE2 PHE 88 HE2 PHE 88 -6.244 13.568 -8.418 1383 HZ PHE 88 HZ PHE 88 -4.793 13.040 -10.362 1384 H GLU 89 H GLU 89 -3.501 15.168 -2.718 1385 HA GLU 89 HA GLU 89 -6.147 16.102 -3.226 1386 1HB GLU 89 1HB GLU 89 -4.514 16.142 -0.642 1387 2HB GLU 89 2HB GLU 89 -6.237 16.493 -0.754 1388 1HG GLU 89 1HG GLU 89 -4.953 13.815 -1.459 1389 2HG GLU 89 2HG GLU 89 -5.885 14.186 -0.015 1390 H HIS 90 H HIS 90 -3.137 17.850 -2.413 1391 HA HIS 90 HA HIS 90 -4.540 20.450 -2.403 1392 1HB HIS 90 1HB HIS 90 -2.414 19.739 -1.065 1393 2HB HIS 90 2HB HIS 90 -1.540 20.015 -2.558 1394 HD1 HIS 90 HD1 HIS 90 -2.259 21.766 0.478 1395 HD2 HIS 90 HD2 HIS 90 -2.375 22.732 -3.630 1396 HE1 HIS 90 HE1 HIS 90 -2.150 24.307 0.310 1397 H GLU 91 H GLU 91 -5.529 19.651 -4.480 1398 HA GLU 91 HA GLU 91 -3.917 19.207 -6.774 1399 1HB GLU 91 1HB GLU 91 -6.289 18.391 -6.193 1400 2HB GLU 91 2HB GLU 91 -6.873 19.934 -6.829 1401 1HG GLU 91 1HG GLU 91 -5.177 17.863 -8.327 1402 2HG GLU 91 2HG GLU 91 -6.931 18.011 -8.447 1403 1H LYS 62 H1 LYS 62 -30.115 -23.307 16.532 1404 2H LYS 62 H2 LYS 62 -30.179 -24.405 15.305 1405 3H LYS 62 H3 LYS 62 -28.839 -23.467 15.497 1406 HA LYS 62 HA LYS 62 -28.373 -24.476 17.607 1407 1HB LYS 62 1HB LYS 62 -29.636 -26.454 18.312 1408 2HB LYS 62 2HB LYS 62 -30.641 -25.007 18.278 1409 1HG LYS 62 1HG LYS 62 -31.713 -25.651 16.225 1410 2HG LYS 62 2HG LYS 62 -30.605 -27.003 15.958 1411 1HD LYS 62 1HD LYS 62 -32.465 -26.820 18.364 1412 2HD LYS 62 2HD LYS 62 -32.908 -27.587 16.830 1413 1HE LYS 62 1HE LYS 62 -30.977 -29.147 17.032 1414 2HE LYS 62 2HE LYS 62 -30.578 -28.448 18.612 1415 1HZ LYS 62 1HZ LYS 62 -31.866 -30.416 18.825 1416 2HZ LYS 62 2HZ LYS 62 -32.723 -29.128 19.389 1417 3HZ LYS 62 3HZ LYS 62 -33.093 -29.787 17.924 1418 H ARG 63 H ARG 63 -28.122 -24.852 14.463 1419 HA ARG 63 HA ARG 63 -26.650 -27.476 14.515 1420 1HB ARG 63 1HB ARG 63 -27.830 -25.953 12.166 1421 2HB ARG 63 2HB ARG 63 -26.972 -27.496 12.091 1422 1HG ARG 63 1HG ARG 63 -29.687 -27.011 13.416 1423 2HG ARG 63 2HG ARG 63 -29.406 -27.704 11.822 1424 1HD ARG 63 1HD ARG 63 -29.871 -29.522 13.268 1425 2HD ARG 63 2HD ARG 63 -28.134 -29.596 12.902 1426 HE ARG 63 HE ARG 63 -28.483 -28.071 15.260 1427 1HH1 ARG 63 2HH2 ARG 63 -28.903 -31.437 14.293 1428 2HH1 ARG 63 1HH2 ARG 63 -28.453 -32.065 15.856 1429 1HH2 ARG 63 2HH1 ARG 63 -27.860 -28.788 17.163 1430 2HH2 ARG 63 1HH1 ARG 63 -27.857 -30.496 17.591 1431 H LEU 64 H LEU 64 -24.547 -27.104 14.789 1432 HA LEU 64 HA LEU 64 -23.287 -24.637 14.813 1433 1HB LEU 64 1HB LEU 64 -22.049 -27.318 14.066 1434 2HB LEU 64 2HB LEU 64 -21.160 -25.894 14.613 1435 HG LEU 64 HG LEU 64 -23.175 -27.478 16.279 1436 1HD1 LEU 64 1HD1 LEU 64 -21.057 -28.670 15.852 1437 2HD1 LEU 64 2HD1 LEU 64 -20.143 -27.268 16.450 1438 3HD1 LEU 64 3HD1 LEU 64 -21.198 -28.181 17.550 1439 1HD2 LEU 64 1HD2 LEU 64 -23.207 -25.137 17.006 1440 2HD2 LEU 64 2HD2 LEU 64 -22.295 -26.097 18.173 1441 3HD2 LEU 64 3HD2 LEU 64 -21.428 -25.081 17.003 1442 H ARG 65 H ARG 65 -22.320 -23.313 13.376 1443 HA ARG 65 HA ARG 65 -21.867 -22.243 11.491 1444 1HB ARG 65 1HB ARG 65 -20.336 -23.929 10.794 1445 2HB ARG 65 2HB ARG 65 -21.617 -25.026 10.287 1446 1HG ARG 65 1HG ARG 65 -20.635 -24.128 8.335 1447 2HG ARG 65 2HG ARG 65 -22.271 -23.507 8.462 1448 1HD ARG 65 1HD ARG 65 -21.113 -21.381 9.559 1449 2HD ARG 65 2HD ARG 65 -19.637 -22.077 8.915 1450 HE ARG 65 HE ARG 65 -20.360 -21.711 6.726 1451 1HH1 ARG 65 2HH2 ARG 65 -23.034 -20.914 8.986 1452 2HH1 ARG 65 1HH2 ARG 65 -23.633 -19.657 7.943 1453 1HH2 ARG 65 2HH1 ARG 65 -21.544 -20.481 5.211 1454 2HH2 ARG 65 1HH1 ARG 65 -23.066 -19.744 5.655 1455 H ARG 66 H ARG 66 -24.070 -24.883 10.543 1456 HA ARG 66 HA ARG 66 -25.347 -23.605 8.464 1457 1HB ARG 66 1HB ARG 66 -25.529 -25.971 8.789 1458 2HB ARG 66 2HB ARG 66 -26.285 -25.766 10.371 1459 1HG ARG 66 1HG ARG 66 -27.920 -26.471 8.700 1460 2HG ARG 66 2HG ARG 66 -28.328 -24.891 9.352 1461 1HD ARG 66 1HD ARG 66 -27.219 -23.879 7.231 1462 2HD ARG 66 2HD ARG 66 -27.047 -25.530 6.653 1463 HE ARG 66 HE ARG 66 -29.263 -25.566 6.114 1464 1HH1 ARG 66 2HH1 ARG 66 -28.745 -22.850 8.370 1465 2HH1 ARG 66 1HH1 ARG 66 -30.370 -22.251 8.197 1466 1HH2 ARG 66 2HH2 ARG 66 -31.354 -24.729 5.865 1467 2HH2 ARG 66 1HH2 ARG 66 -31.867 -23.317 6.745 1468 H SER 67 H SER 67 -26.225 -23.397 11.936 1469 HA SER 67 HA SER 67 -28.707 -22.156 11.719 1470 1HB SER 67 1HB SER 67 -26.549 -21.350 13.710 1471 2HB SER 67 2HB SER 67 -28.295 -21.087 13.856 1472 HG SER 67 HG SER 67 -26.897 -23.541 13.802 1473 H ALA 68 H ALA 68 -25.515 -20.700 11.046 1474 HA ALA 68 HA ALA 68 -26.848 -18.070 10.460 1475 1HB ALA 68 1HB ALA 68 -24.642 -17.092 10.771 1476 2HB ALA 68 2HB ALA 68 -25.103 -18.007 12.214 1477 3HB ALA 68 3HB ALA 68 -23.934 -18.695 11.065 1478 H HIS 69 H HIS 69 -27.099 -20.303 8.652 1479 HA HIS 69 HA HIS 69 -25.285 -20.853 6.829 1480 1HB HIS 69 1HB HIS 69 -27.664 -21.580 6.830 1481 2HB HIS 69 2HB HIS 69 -28.104 -20.094 5.995 1482 HD1 HIS 69 HD1 HIS 69 -25.141 -20.636 4.208 1483 HD2 HIS 69 HD2 HIS 69 -28.709 -22.843 4.602 1484 HE1 HIS 69 HE1 HIS 69 -25.287 -22.173 2.172 1485 H ALA 70 H ALA 70 -27.222 -17.857 6.531 1486 HA ALA 70 HA ALA 70 -26.092 -17.148 3.988 1487 1HB ALA 70 1HB ALA 70 -28.402 -16.633 4.626 1488 2HB ALA 70 2HB ALA 70 -27.822 -15.538 5.901 1489 3HB ALA 70 3HB ALA 70 -27.512 -15.163 4.192 1490 H ARG 71 H ARG 71 -23.790 -17.357 5.081 1491 HA ARG 71 HA ARG 71 -22.772 -14.819 6.169 1492 1HB ARG 71 1HB ARG 71 -21.269 -17.163 4.958 1493 2HB ARG 71 2HB ARG 71 -20.572 -15.816 5.864 1494 1HG ARG 71 1HG ARG 71 -22.477 -17.900 6.993 1495 2HG ARG 71 2HG ARG 71 -20.725 -17.859 7.195 1496 1HD ARG 71 1HD ARG 71 -21.503 -16.980 9.185 1497 2HD ARG 71 2HD ARG 71 -21.077 -15.533 8.284 1498 HE ARG 71 HE ARG 71 -23.828 -16.751 8.534 1499 1HH1 ARG 71 2HH1 ARG 71 -21.919 -13.741 8.281 1500 2HH1 ARG 71 1HH1 ARG 71 -23.263 -12.731 8.720 1501 1HH2 ARG 71 2HH2 ARG 71 -25.562 -15.409 8.923 1502 2HH2 ARG 71 1HH2 ARG 71 -25.384 -13.676 8.998 1503 H LYS 72 H LYS 72 -24.132 -13.810 4.370 1504 HA LYS 72 HA LYS 72 -23.573 -13.840 1.695 1505 1HB LYS 72 1HB LYS 72 -24.395 -11.481 1.636 1506 2HB LYS 72 2HB LYS 72 -25.406 -12.623 2.527 1507 1HG LYS 72 1HG LYS 72 -24.431 -11.768 4.692 1508 2HG LYS 72 2HG LYS 72 -23.542 -10.544 3.761 1509 1HD LYS 72 1HD LYS 72 -25.665 -9.634 2.906 1510 2HD LYS 72 2HD LYS 72 -26.573 -10.909 3.737 1511 1HE LYS 72 1HE LYS 72 -25.755 -10.086 5.932 1512 2HE LYS 72 2HE LYS 72 -24.845 -8.800 5.117 1513 1HZ LYS 72 1HZ LYS 72 -26.929 -8.010 5.913 1514 2HZ LYS 72 2HZ LYS 72 -26.931 -7.977 4.263 1515 3HZ LYS 72 3HZ LYS 72 -27.759 -9.153 5.065 1516 H GLU 73 H GLU 73 -21.778 -11.923 4.101 1517 HA GLU 73 HA GLU 73 -20.065 -10.507 2.460 1518 1HB GLU 73 1HB GLU 73 -18.525 -10.414 4.298 1519 2HB GLU 73 2HB GLU 73 -20.173 -10.070 4.807 1520 1HG GLU 73 1HG GLU 73 -18.778 -12.768 5.242 1521 2HG GLU 73 2HG GLU 73 -18.773 -11.444 6.396 1522 H THR 74 H THR 74 -19.827 -13.958 3.360 1523 HA THR 74 HA THR 74 -17.161 -14.354 2.522 1524 HB THR 74 HB THR 74 -19.454 -16.356 2.549 1525 HG1 THR 74 HG1 THR 74 -17.688 -15.471 4.599 1526 1HG2 THR 74 1HG2 THR 74 -16.434 -16.687 2.880 1527 2HG2 THR 74 2HG2 THR 74 -17.650 -17.961 3.124 1528 3HG2 THR 74 3HG2 THR 74 -17.413 -17.264 1.513 1529 H GLU 75 H GLU 75 -20.199 -14.095 0.619 1530 HA GLU 75 HA GLU 75 -19.277 -15.556 -1.641 1531 1HB GLU 75 1HB GLU 75 -21.167 -13.156 -1.507 1532 2HB GLU 75 2HB GLU 75 -20.949 -14.204 -2.911 1533 1HG GLU 75 1HG GLU 75 -21.995 -15.108 -0.188 1534 2HG GLU 75 2HG GLU 75 -22.958 -14.838 -1.644 1535 H PHE 76 H PHE 76 -18.927 -12.115 -0.800 1536 HA PHE 76 HA PHE 76 -17.402 -11.483 -3.183 1537 1HB PHE 76 1HB PHE 76 -17.400 -9.847 -0.649 1538 2HB PHE 76 2HB PHE 76 -17.209 -9.315 -2.312 1539 HD1 PHE 76 HD1 PHE 76 -19.286 -9.480 -3.888 1540 HD2 PHE 76 HD2 PHE 76 -19.526 -10.048 0.371 1541 HE1 PHE 76 HE1 PHE 76 -21.747 -9.305 -4.001 1542 HE2 PHE 76 HE2 PHE 76 -22.005 -9.988 0.236 1543 HZ PHE 76 HZ PHE 76 -23.108 -9.463 -1.908 1544 H LEU 77 H LEU 77 -16.616 -12.003 0.278 1545 HA LEU 77 HA LEU 77 -13.825 -11.417 -0.073 1546 1HB LEU 77 1HB LEU 77 -15.300 -12.809 2.181 1547 2HB LEU 77 2HB LEU 77 -13.647 -12.195 2.286 1548 HG LEU 77 HG LEU 77 -16.064 -10.412 1.672 1549 1HD1 LEU 77 1HD1 LEU 77 -15.960 -9.702 3.994 1550 2HD1 LEU 77 2HD1 LEU 77 -16.274 -11.443 3.904 1551 3HD1 LEU 77 3HD1 LEU 77 -14.648 -10.858 4.325 1552 1HD2 LEU 77 1HD2 LEU 77 -13.200 -9.758 2.481 1553 2HD2 LEU 77 2HD2 LEU 77 -13.960 -9.416 0.909 1554 3HD2 LEU 77 3HD2 LEU 77 -14.534 -8.591 2.359 1555 H ARG 78 H ARG 78 -15.612 -14.363 -0.497 1556 HA ARG 78 HA ARG 78 -13.873 -16.422 -0.115 1557 1HB ARG 78 1HB ARG 78 -16.057 -16.841 -0.893 1558 2HB ARG 78 2HB ARG 78 -15.850 -15.817 -2.324 1559 1HG ARG 78 1HG ARG 78 -14.434 -17.495 -3.379 1560 2HG ARG 78 2HG ARG 78 -14.374 -18.446 -1.878 1561 1HD ARG 78 1HD ARG 78 -16.014 -19.361 -3.531 1562 2HD ARG 78 2HD ARG 78 -16.745 -18.884 -1.988 1563 HE ARG 78 HE ARG 78 -16.741 -16.900 -4.194 1564 1HH1 ARG 78 1HH2 ARG 78 -18.686 -19.300 -2.428 1565 2HH1 ARG 78 2HH2 ARG 78 -20.187 -18.474 -2.753 1566 1HH2 ARG 78 2HH1 ARG 78 -18.737 -15.881 -4.651 1567 2HH2 ARG 78 1HH1 ARG 78 -20.217 -16.584 -4.037 1568 H LEU 79 H LEU 79 -13.815 -14.186 -2.952 1569 HA LEU 79 HA LEU 79 -11.820 -15.677 -4.360 1570 1HB LEU 79 1HB LEU 79 -12.559 -12.722 -4.469 1571 2HB LEU 79 2HB LEU 79 -11.400 -13.512 -5.537 1572 HG LEU 79 HG LEU 79 -13.508 -13.200 -6.640 1573 1HD1 LEU 79 1HD1 LEU 79 -13.061 -16.173 -6.175 1574 2HD1 LEU 79 2HD1 LEU 79 -13.791 -15.393 -7.586 1575 3HD1 LEU 79 3HD1 LEU 79 -12.072 -15.140 -7.236 1576 1HD2 LEU 79 1HD2 LEU 79 -14.827 -15.154 -4.722 1577 2HD2 LEU 79 2HD2 LEU 79 -15.025 -13.385 -4.657 1578 3HD2 LEU 79 3HD2 LEU 79 -15.555 -14.295 -6.081 1579 H LYS 80 H LYS 80 -11.535 -12.867 -2.184 1580 HA LYS 80 HA LYS 80 -8.712 -12.555 -2.280 1581 1HB LYS 80 1HB LYS 80 -10.405 -10.952 -1.389 1582 2HB LYS 80 2HB LYS 80 -10.629 -11.963 0.033 1583 1HG LYS 80 1HG LYS 80 -7.974 -10.691 -0.785 1584 2HG LYS 80 2HG LYS 80 -9.180 -9.948 0.273 1585 1HD LYS 80 1HD LYS 80 -8.957 -11.984 1.815 1586 2HD LYS 80 2HD LYS 80 -7.546 -12.448 0.847 1587 1HE LYS 80 1HE LYS 80 -6.744 -11.241 2.749 1588 2HE LYS 80 2HE LYS 80 -6.511 -10.210 1.330 1589 1HZ LYS 80 1HZ LYS 80 -8.732 -10.011 3.250 1590 2HZ LYS 80 2HZ LYS 80 -7.414 -9.028 3.213 1591 3HZ LYS 80 3HZ LYS 80 -8.482 -9.011 1.965 1592 H ARG 81 H ARG 81 -10.834 -14.310 0.002 1593 HA ARG 81 HA ARG 81 -8.899 -15.477 1.657 1594 1HB ARG 81 1HB ARG 81 -11.370 -15.452 1.957 1595 2HB ARG 81 2HB ARG 81 -11.541 -16.700 0.733 1596 1HG ARG 81 1HG ARG 81 -10.036 -16.967 3.383 1597 2HG ARG 81 2HG ARG 81 -11.689 -17.494 3.072 1598 1HD ARG 81 1HD ARG 81 -9.122 -18.697 2.010 1599 2HD ARG 81 2HD ARG 81 -10.368 -19.468 2.953 1600 HE ARG 81 HE ARG 81 -10.267 -19.123 0.076 1601 1HH1 ARG 81 2HH2 ARG 81 -12.504 -19.574 2.761 1602 2HH1 ARG 81 1HH2 ARG 81 -13.781 -20.232 1.770 1603 1HH2 ARG 81 1HH1 ARG 81 -11.916 -19.864 -1.244 1604 2HH2 ARG 81 2HH1 ARG 81 -13.404 -20.474 -0.558 1605 H THR 82 H THR 82 -10.291 -16.797 -1.392 1606 HA THR 82 HA THR 82 -8.776 -19.197 -1.349 1607 HB THR 82 HB THR 82 -9.963 -17.775 -3.765 1608 HG1 THR 82 HG1 THR 82 -11.542 -18.115 -2.260 1609 1HG2 THR 82 1HG2 THR 82 -10.146 -20.079 -4.668 1610 2HG2 THR 82 2HG2 THR 82 -8.451 -19.642 -4.394 1611 3HG2 THR 82 3HG2 THR 82 -9.289 -20.711 -3.247 1612 H ARG 83 H ARG 83 -8.045 -16.019 -3.011 1613 HA ARG 83 HA ARG 83 -5.619 -17.053 -4.144 1614 1HB ARG 83 1HB ARG 83 -6.555 -14.223 -3.487 1615 2HB ARG 83 2HB ARG 83 -5.016 -14.609 -4.251 1616 1HG ARG 83 1HG ARG 83 -6.367 -15.912 -6.032 1617 2HG ARG 83 2HG ARG 83 -7.791 -15.084 -5.375 1618 1HD ARG 83 1HD ARG 83 -6.496 -12.878 -5.760 1619 2HD ARG 83 2HD ARG 83 -5.253 -13.851 -6.547 1620 HE ARG 83 HE ARG 83 -6.507 -14.042 -8.425 1621 1HH1 ARG 83 2HH1 ARG 83 -8.633 -13.058 -5.804 1622 2HH1 ARG 83 1HH1 ARG 83 -9.909 -12.453 -6.834 1623 1HH2 ARG 83 1HH2 ARG 83 -8.163 -13.313 -9.821 1624 2HH2 ARG 83 2HH2 ARG 83 -9.644 -12.625 -9.199 1625 H LEU 84 H LEU 84 -6.335 -15.560 -0.957 1626 HA LEU 84 HA LEU 84 -3.568 -15.395 -0.185 1627 1HB LEU 84 1HB LEU 84 -5.509 -14.203 0.919 1628 2HB LEU 84 2HB LEU 84 -6.070 -15.758 1.522 1629 HG LEU 84 HG LEU 84 -3.872 -15.980 2.782 1630 1HD1 LEU 84 1HD1 LEU 84 -2.525 -14.348 1.485 1631 2HD1 LEU 84 2HD1 LEU 84 -3.602 -13.034 2.003 1632 3HD1 LEU 84 3HD1 LEU 84 -2.603 -13.896 3.191 1633 1HD2 LEU 84 1HD2 LEU 84 -5.969 -15.275 3.866 1634 2HD2 LEU 84 2HD2 LEU 84 -4.579 -14.424 4.561 1635 3HD2 LEU 84 3HD2 LEU 84 -5.649 -13.586 3.416 1636 H GLY 85 H GLY 85 -6.084 -17.901 0.142 1637 1HA GLY 85 1HA GLY 85 -4.205 -19.825 1.394 1638 2HA GLY 85 2HA GLY 85 -5.957 -19.972 1.208 1639 H LEU 86 H LEU 86 -3.244 -19.343 -1.059 1640 HA LEU 86 HA LEU 86 -4.308 -20.709 -3.261 1641 1HB LEU 86 1HB LEU 86 -2.229 -19.168 -3.078 1642 2HB LEU 86 2HB LEU 86 -1.332 -20.607 -2.604 1643 HG LEU 86 HG LEU 86 -2.610 -19.860 -5.230 1644 1HD1 LEU 86 1HD1 LEU 86 -0.405 -20.233 -6.094 1645 2HD1 LEU 86 2HD1 LEU 86 -0.185 -19.325 -4.586 1646 3HD1 LEU 86 3HD1 LEU 86 0.117 -21.066 -4.610 1647 1HD2 LEU 86 1HD2 LEU 86 -1.777 -22.703 -4.532 1648 2HD2 LEU 86 2HD2 LEU 86 -3.385 -22.138 -5.075 1649 3HD2 LEU 86 3HD2 LEU 86 -2.013 -22.082 -6.176 1650 H GLU 87 H GLU 87 -1.988 -21.902 -0.814 1651 HA GLU 87 HA GLU 87 -1.878 -24.594 -1.702 1652 1HB GLU 87 1HB GLU 87 -0.734 -25.061 0.327 1653 2HB GLU 87 2HB GLU 87 -0.179 -23.498 -0.268 1654 1HG GLU 87 1HG GLU 87 -2.104 -24.004 2.056 1655 2HG GLU 87 2HG GLU 87 -0.421 -23.502 2.168 1656 1H LYS 62 H1 LYS 62 24.520 12.470 13.076 1657 2H LYS 62 H2 LYS 62 25.123 11.743 11.728 1658 3H LYS 62 H3 LYS 62 25.480 13.322 12.035 1659 HA LYS 62 HA LYS 62 27.352 11.973 12.505 1660 1HB LYS 62 1HB LYS 62 26.047 12.969 15.079 1661 2HB LYS 62 2HB LYS 62 27.763 12.617 14.825 1662 1HG LYS 62 1HG LYS 62 27.820 14.414 13.062 1663 2HG LYS 62 2HG LYS 62 26.131 14.795 13.453 1664 1HD LYS 62 1HD LYS 62 26.862 15.170 15.868 1665 2HD LYS 62 2HD LYS 62 28.529 14.922 15.339 1666 1HE LYS 62 1HE LYS 62 28.114 17.297 15.473 1667 2HE LYS 62 2HE LYS 62 28.290 16.868 13.764 1668 1HZ LYS 62 1HZ LYS 62 26.447 18.344 14.186 1669 2HZ LYS 62 2HZ LYS 62 25.909 16.912 13.578 1670 3HZ LYS 62 3HZ LYS 62 25.736 17.241 15.183 1671 H ARG 63 H ARG 63 24.750 11.199 14.854 1672 HA ARG 63 HA ARG 63 25.119 8.325 14.614 1673 1HB ARG 63 1HB ARG 63 25.523 9.864 17.237 1674 2HB ARG 63 2HB ARG 63 25.322 8.115 17.139 1675 1HG ARG 63 1HG ARG 63 27.668 9.659 15.963 1676 2HG ARG 63 2HG ARG 63 27.648 8.787 17.489 1677 1HD ARG 63 1HD ARG 63 27.143 6.666 16.313 1678 2HD ARG 63 2HD ARG 63 27.241 7.482 14.754 1679 HE ARG 63 HE ARG 63 29.412 6.670 16.511 1680 1HH1 ARG 63 2HH2 ARG 63 28.534 8.888 13.863 1681 2HH1 ARG 63 1HH2 ARG 63 30.177 9.065 13.316 1682 1HH2 ARG 63 2HH1 ARG 63 31.541 6.937 15.797 1683 2HH2 ARG 63 1HH1 ARG 63 31.909 7.948 14.427 1684 H LEU 64 H LEU 64 23.380 7.440 16.356 1685 HA LEU 64 HA LEU 64 20.817 8.467 15.818 1686 1HB LEU 64 1HB LEU 64 21.248 6.213 16.701 1687 2HB LEU 64 2HB LEU 64 21.877 6.897 18.206 1688 HG LEU 64 HG LEU 64 19.633 7.799 18.757 1689 1HD1 LEU 64 1HD1 LEU 64 18.673 8.146 16.523 1690 2HD1 LEU 64 2HD1 LEU 64 18.769 6.403 16.180 1691 3HD1 LEU 64 3HD1 LEU 64 17.665 7.016 17.428 1692 1HD2 LEU 64 1HD2 LEU 64 20.314 5.557 19.529 1693 2HD2 LEU 64 2HD2 LEU 64 18.570 5.636 19.226 1694 3HD2 LEU 64 3HD2 LEU 64 19.637 4.836 18.053 1695 H ARG 65 H ARG 65 23.147 9.235 18.397 1696 HA ARG 65 HA ARG 65 21.454 11.170 19.743 1697 1HB ARG 65 1HB ARG 65 23.342 9.952 20.819 1698 2HB ARG 65 2HB ARG 65 24.479 10.863 19.805 1699 1HG ARG 65 1HG ARG 65 23.666 12.985 20.824 1700 2HG ARG 65 2HG ARG 65 22.463 12.078 21.757 1701 1HD ARG 65 1HD ARG 65 24.353 12.650 23.159 1702 2HD ARG 65 2HD ARG 65 24.276 10.907 22.985 1703 HE ARG 65 HE ARG 65 26.247 12.823 21.844 1704 1HH1 ARG 65 2HH2 ARG 65 25.252 9.426 22.026 1705 2HH1 ARG 65 1HH2 ARG 65 26.813 8.811 21.559 1706 1HH2 ARG 65 2HH1 ARG 65 28.263 12.024 21.230 1707 2HH2 ARG 65 1HH1 ARG 65 28.542 10.313 21.070 1708 H ARG 66 H ARG 66 20.691 12.175 17.716 1709 HA ARG 66 HA ARG 66 22.259 14.580 17.194 1710 1HB ARG 66 1HB ARG 66 22.932 12.919 15.435 1711 2HB ARG 66 2HB ARG 66 21.238 12.759 14.972 1712 1HG ARG 66 1HG ARG 66 22.381 14.117 13.391 1713 2HG ARG 66 2HG ARG 66 21.245 15.163 14.225 1714 1HD ARG 66 1HD ARG 66 24.202 14.934 14.985 1715 2HD ARG 66 2HD ARG 66 23.618 16.031 13.742 1716 HE ARG 66 HE ARG 66 22.302 17.249 15.301 1717 1HH1 ARG 66 1HH2 ARG 66 24.738 15.164 16.868 1718 2HH1 ARG 66 2HH2 ARG 66 24.915 16.226 18.229 1719 1HH2 ARG 66 2HH1 ARG 66 22.215 18.299 17.286 1720 2HH2 ARG 66 1HH1 ARG 66 23.502 18.075 18.445 1721 H SER 67 H SER 67 20.912 16.282 16.345 1722 HA SER 67 HA SER 67 18.392 16.419 17.590 1723 1HB SER 67 1HB SER 67 19.559 18.294 15.491 1724 2HB SER 67 2HB SER 67 18.447 18.702 16.806 1725 HG SER 67 HG SER 67 20.141 18.118 18.266 1726 H ALA 68 H ALA 68 17.768 14.331 16.146 1727 HA ALA 68 HA ALA 68 16.187 13.409 14.885 1728 1HB ALA 68 1HB ALA 68 14.729 15.141 15.844 1729 2HB ALA 68 2HB ALA 68 15.062 16.207 14.463 1730 3HB ALA 68 3HB ALA 68 14.231 14.664 14.210 1731 H HIS 69 H HIS 69 17.097 16.413 13.117 1732 HA HIS 69 HA HIS 69 16.562 15.159 10.588 1733 1HB HIS 69 1HB HIS 69 16.310 17.618 11.301 1734 2HB HIS 69 2HB HIS 69 18.024 17.794 10.947 1735 HD1 HIS 69 HD1 HIS 69 17.128 15.575 8.235 1736 HD2 HIS 69 HD2 HIS 69 15.927 19.468 9.349 1737 HE1 HIS 69 HE1 HIS 69 15.941 16.571 6.254 1738 H ALA 70 H ALA 70 18.037 13.316 11.105 1739 HA ALA 70 HA ALA 70 20.880 13.475 10.740 1740 1HB ALA 70 1HB ALA 70 20.655 11.082 10.115 1741 2HB ALA 70 2HB ALA 70 19.764 11.475 11.602 1742 3HB ALA 70 3HB ALA 70 18.888 11.268 10.070 1743 H ARG 71 H ARG 71 20.875 15.187 9.157 1744 HA ARG 71 HA ARG 71 19.735 15.549 6.942 1745 1HB ARG 71 1HB ARG 71 22.666 15.931 7.437 1746 2HB ARG 71 2HB ARG 71 21.985 16.418 5.881 1747 1HG ARG 71 1HG ARG 71 20.684 17.369 8.463 1748 2HG ARG 71 2HG ARG 71 22.118 18.163 7.813 1749 1HD ARG 71 1HD ARG 71 20.126 19.338 7.043 1750 2HD ARG 71 2HD ARG 71 21.020 18.602 5.702 1751 HE ARG 71 HE ARG 71 18.706 17.182 6.911 1752 1HH1 ARG 71 1HH2 ARG 71 19.726 19.074 4.110 1753 2HH1 ARG 71 2HH2 ARG 71 18.974 18.002 2.950 1754 1HH2 ARG 71 1HH1 ARG 71 17.862 15.676 5.361 1755 2HH2 ARG 71 2HH1 ARG 71 17.869 16.123 3.669 1756 H LYS 72 H LYS 72 22.670 13.531 6.471 1757 HA LYS 72 HA LYS 72 22.208 12.870 3.820 1758 1HB LYS 72 1HB LYS 72 23.473 11.270 6.083 1759 2HB LYS 72 2HB LYS 72 23.332 10.634 4.450 1760 1HG LYS 72 1HG LYS 72 25.511 11.563 4.660 1761 2HG LYS 72 2HG LYS 72 24.572 12.493 3.501 1762 1HD LYS 72 1HD LYS 72 25.946 13.965 4.823 1763 2HD LYS 72 2HD LYS 72 24.260 14.303 5.185 1764 1HE LYS 72 1HE LYS 72 24.501 12.920 7.307 1765 2HE LYS 72 2HE LYS 72 26.185 12.602 6.864 1766 1HZ LYS 72 1HZ LYS 72 25.035 15.251 7.389 1767 2HZ LYS 72 2HZ LYS 72 25.989 14.385 8.418 1768 3HZ LYS 72 3HZ LYS 72 26.604 14.940 6.994 1769 H GLU 73 H GLU 73 21.106 10.852 6.603 1770 HA GLU 73 HA GLU 73 19.693 8.961 5.055 1771 1HB GLU 73 1HB GLU 73 19.124 9.894 7.901 1772 2HB GLU 73 2HB GLU 73 18.505 8.421 7.142 1773 1HG GLU 73 1HG GLU 73 20.870 7.640 6.801 1774 2HG GLU 73 2HG GLU 73 21.440 9.040 7.727 1775 H THR 74 H THR 74 18.498 11.986 6.629 1776 HA THR 74 HA THR 74 15.814 11.615 5.769 1777 HB THR 74 HB THR 74 15.554 13.991 6.317 1778 HG1 THR 74 HG1 THR 74 18.347 13.884 6.390 1779 1HG2 THR 74 1HG2 THR 74 15.984 13.758 8.707 1780 2HG2 THR 74 2HG2 THR 74 15.396 12.229 8.049 1781 3HG2 THR 74 3HG2 THR 74 17.118 12.426 8.415 1782 H GLU 75 H GLU 75 18.616 13.030 4.079 1783 HA GLU 75 HA GLU 75 17.380 14.690 2.293 1784 1HB GLU 75 1HB GLU 75 19.927 14.013 2.595 1785 2HB GLU 75 2HB GLU 75 19.582 12.805 1.355 1786 1HG GLU 75 1HG GLU 75 20.420 14.608 0.161 1787 2HG GLU 75 2HG GLU 75 18.677 14.803 -0.060 1788 H PHE 76 H PHE 76 17.936 11.219 1.761 1789 HA PHE 76 HA PHE 76 16.710 10.945 -0.735 1790 1HB PHE 76 1HB PHE 76 16.620 8.889 1.509 1791 2HB PHE 76 2HB PHE 76 16.568 8.588 -0.221 1792 HD1 PHE 76 HD1 PHE 76 18.609 8.865 -1.633 1793 HD2 PHE 76 HD2 PHE 76 18.723 9.270 2.654 1794 HE1 PHE 76 HE1 PHE 76 21.088 8.784 -1.677 1795 HE2 PHE 76 HE2 PHE 76 21.183 9.224 2.598 1796 HZ PHE 76 HZ PHE 76 22.370 8.918 0.443 1797 H LEU 77 H LEU 77 15.308 10.896 2.507 1798 HA LEU 77 HA LEU 77 12.675 10.010 1.580 1799 1HB LEU 77 1HB LEU 77 13.591 10.851 4.349 1800 2HB LEU 77 2HB LEU 77 12.156 9.904 3.931 1801 HG LEU 77 HG LEU 77 15.080 9.051 3.693 1802 1HD1 LEU 77 1HD1 LEU 77 12.806 7.982 5.407 1803 2HD1 LEU 77 2HD1 LEU 77 14.482 7.389 5.373 1804 3HD1 LEU 77 3HD1 LEU 77 14.136 9.023 5.968 1805 1HD2 LEU 77 1HD2 LEU 77 14.223 6.827 3.016 1806 2HD2 LEU 77 2HD2 LEU 77 12.587 7.503 2.865 1807 3HD2 LEU 77 3HD2 LEU 77 13.900 8.050 1.792 1808 H ARG 78 H ARG 78 14.285 13.023 2.204 1809 HA ARG 78 HA ARG 78 12.420 14.736 3.110 1810 1HB ARG 78 1HB ARG 78 14.856 15.114 2.316 1811 2HB ARG 78 2HB ARG 78 14.135 15.541 0.755 1812 1HG ARG 78 1HG ARG 78 12.694 17.232 2.054 1813 2HG ARG 78 2HG ARG 78 13.638 16.797 3.495 1814 1HD ARG 78 1HD ARG 78 15.738 17.476 2.196 1815 2HD ARG 78 2HD ARG 78 14.665 17.999 0.908 1816 HE ARG 78 HE ARG 78 13.937 19.819 2.132 1817 1HH1 ARG 78 1HH1 ARG 78 16.163 17.892 4.112 1818 2HH1 ARG 78 2HH1 ARG 78 16.104 18.970 5.474 1819 1HH2 ARG 78 2HH2 ARG 78 13.980 21.308 3.849 1820 2HH2 ARG 78 1HH2 ARG 78 14.948 21.001 5.264 1821 H LEU 79 H LEU 79 12.465 13.407 -0.169 1822 HA LEU 79 HA LEU 79 10.563 15.061 -1.430 1823 1HB LEU 79 1HB LEU 79 11.238 12.113 -1.731 1824 2HB LEU 79 2HB LEU 79 10.037 12.920 -2.738 1825 HG LEU 79 HG LEU 79 12.203 12.684 -3.835 1826 1HD1 LEU 79 1HD1 LEU 79 12.291 14.893 -4.808 1827 2HD1 LEU 79 2HD1 LEU 79 10.604 14.457 -4.495 1828 3HD1 LEU 79 3HD1 LEU 79 11.442 15.604 -3.427 1829 1HD2 LEU 79 1HD2 LEU 79 13.293 14.787 -1.922 1830 2HD2 LEU 79 2HD2 LEU 79 13.691 13.051 -1.861 1831 3HD2 LEU 79 3HD2 LEU 79 14.120 14.024 -3.282 1832 H LYS 80 H LYS 80 10.048 12.274 0.775 1833 HA LYS 80 HA LYS 80 7.215 12.020 0.520 1834 1HB LYS 80 1HB LYS 80 8.961 11.645 2.973 1835 2HB LYS 80 2HB LYS 80 7.284 11.133 2.789 1836 1HG LYS 80 1HG LYS 80 7.890 9.573 1.002 1837 2HG LYS 80 2HG LYS 80 9.590 10.105 1.073 1838 1HD LYS 80 1HD LYS 80 9.727 9.449 3.435 1839 2HD LYS 80 2HD LYS 80 8.022 8.958 3.422 1840 1HE LYS 80 1HE LYS 80 8.482 7.145 1.881 1841 2HE LYS 80 2HE LYS 80 10.162 7.691 1.651 1842 1HZ LYS 80 1HZ LYS 80 8.992 6.696 4.156 1843 2HZ LYS 80 2HZ LYS 80 10.008 5.865 3.164 1844 3HZ LYS 80 3HZ LYS 80 10.550 7.203 3.959 1845 H ARG 81 H ARG 81 9.268 13.912 2.758 1846 HA ARG 81 HA ARG 81 7.169 15.181 4.195 1847 1HB ARG 81 1HB ARG 81 9.918 16.372 3.683 1848 2HB ARG 81 2HB ARG 81 8.815 16.692 5.028 1849 1HG ARG 81 1HG ARG 81 9.057 14.165 5.593 1850 2HG ARG 81 2HG ARG 81 10.443 14.178 4.488 1851 1HD ARG 81 1HD ARG 81 10.065 15.789 7.039 1852 2HD ARG 81 2HD ARG 81 11.260 14.513 6.717 1853 HE ARG 81 HE ARG 81 11.556 16.678 4.844 1854 1HH1 ARG 81 2HH2 ARG 81 12.179 15.842 8.225 1855 2HH1 ARG 81 1HH2 ARG 81 13.448 17.028 8.417 1856 1HH2 ARG 81 2HH1 ARG 81 13.168 18.298 5.139 1857 2HH2 ARG 81 1HH1 ARG 81 14.077 18.349 6.630 1858 H THR 82 H THR 82 8.979 16.106 1.278 1859 HA THR 82 HA THR 82 7.889 18.705 0.977 1860 HB THR 82 HB THR 82 8.812 16.849 -1.259 1861 HG1 THR 82 HG1 THR 82 10.367 17.024 0.434 1862 1HG2 THR 82 1HG2 THR 82 8.814 19.886 -0.984 1863 2HG2 THR 82 2HG2 THR 82 9.502 18.960 -2.333 1864 3HG2 THR 82 3HG2 THR 82 7.751 18.942 -2.053 1865 H ARG 83 H ARG 83 6.800 15.539 -0.480 1866 HA ARG 83 HA ARG 83 4.573 16.742 -1.827 1867 1HB ARG 83 1HB ARG 83 5.134 13.880 -0.943 1868 2HB ARG 83 2HB ARG 83 3.794 14.382 -1.973 1869 1HG ARG 83 1HG ARG 83 5.515 15.374 -3.576 1870 2HG ARG 83 2HG ARG 83 6.752 14.537 -2.631 1871 1HD ARG 83 1HD ARG 83 4.435 13.334 -4.184 1872 2HD ARG 83 2HD ARG 83 6.134 13.135 -4.535 1873 HE ARG 83 HE ARG 83 4.509 11.735 -2.530 1874 1HH1 ARG 83 2HH1 ARG 83 7.801 12.558 -3.412 1875 2HH1 ARG 83 1HH1 ARG 83 8.518 11.062 -2.891 1876 1HH2 ARG 83 1HH2 ARG 83 5.369 9.762 -1.727 1877 2HH2 ARG 83 2HH2 ARG 83 7.102 9.549 -1.691 1878 H LEU 84 H LEU 84 4.940 15.239 1.416 1879 HA LEU 84 HA LEU 84 2.152 15.284 2.046 1880 1HB LEU 84 1HB LEU 84 3.779 13.880 3.210 1881 2HB LEU 84 2HB LEU 84 4.656 15.307 3.774 1882 HG LEU 84 HG LEU 84 2.749 15.970 5.194 1883 1HD1 LEU 84 1HD1 LEU 84 0.851 15.064 3.936 1884 2HD1 LEU 84 2HD1 LEU 84 1.465 13.406 4.151 1885 3HD1 LEU 84 3HD1 LEU 84 0.882 14.340 5.547 1886 1HD2 LEU 84 1HD2 LEU 84 4.526 14.500 6.077 1887 2HD2 LEU 84 2HD2 LEU 84 2.959 14.149 6.826 1888 3HD2 LEU 84 3HD2 LEU 84 3.601 13.069 5.570 1889 H GLY 85 H GLY 85 4.780 17.616 2.487 1890 1HA GLY 85 1HA GLY 85 3.879 19.298 4.392 1891 2HA GLY 85 2HA GLY 85 4.868 19.814 3.019 1892 H LEU 86 H LEU 86 2.666 19.250 1.054 1893 HA LEU 86 HA LEU 86 1.504 21.847 1.027 1894 1HB LEU 86 1HB LEU 86 0.400 19.395 -0.385 1895 2HB LEU 86 2HB LEU 86 0.185 21.098 -0.805 1896 HG LEU 86 HG LEU 86 2.669 19.389 -1.120 1897 1HD1 LEU 86 1HD1 LEU 86 2.418 20.000 -3.452 1898 2HD1 LEU 86 2HD1 LEU 86 0.852 19.419 -2.843 1899 3HD1 LEU 86 3HD1 LEU 86 1.123 21.153 -3.065 1900 1HD2 LEU 86 1HD2 LEU 86 2.464 22.434 -1.363 1901 2HD2 LEU 86 2HD2 LEU 86 3.518 21.539 -0.244 1902 3HD2 LEU 86 3HD2 LEU 86 3.809 21.453 -1.983 1903 H GLU 87 H GLU 87 0.489 18.916 2.676 1904 HA GLU 87 HA GLU 87 -2.083 20.228 3.492 1905 1HB GLU 87 1HB GLU 87 -1.334 17.279 3.407 1906 2HB GLU 87 2HB GLU 87 -2.873 17.943 3.968 1907 1HG GLU 87 1HG GLU 87 -1.790 18.214 1.116 1908 2HG GLU 87 2HG GLU 87 -2.968 17.020 1.659 Start of MODEL 14 1 1H SER 1 1H SER 1 9.841 2.606 -12.815 2 2H SER 1 2H SER 1 9.512 3.900 -11.826 3 3H SER 1 3H SER 1 10.548 4.064 -13.096 4 HA SER 1 HA SER 1 8.453 5.034 -13.651 5 1HB SER 1 1HB SER 1 8.041 3.678 -15.743 6 2HB SER 1 2HB SER 1 9.744 4.134 -15.487 7 HG SER 1 HG SER 1 8.935 1.741 -15.918 8 H GLU 2 H GLU 2 7.963 1.573 -13.896 9 HA GLU 2 HA GLU 2 5.257 1.545 -14.077 10 1HB GLU 2 1HB GLU 2 6.694 -0.671 -12.578 11 2HB GLU 2 2HB GLU 2 5.250 -0.775 -13.587 12 1HG GLU 2 1HG GLU 2 8.131 -0.339 -14.477 13 2HG GLU 2 2HG GLU 2 7.067 -1.690 -14.843 14 H LEU 3 H LEU 3 6.932 1.108 -10.904 15 HA LEU 3 HA LEU 3 4.491 0.987 -9.416 16 1HB LEU 3 1HB LEU 3 7.143 2.024 -8.393 17 2HB LEU 3 2HB LEU 3 5.746 1.500 -7.439 18 HG LEU 3 HG LEU 3 7.491 -0.272 -9.196 19 1HD1 LEU 3 1HD1 LEU 3 6.976 -0.219 -6.188 20 2HD1 LEU 3 2HD1 LEU 3 8.081 -1.301 -7.058 21 3HD1 LEU 3 3HD1 LEU 3 8.423 0.435 -6.978 22 1HD2 LEU 3 1HD2 LEU 3 4.982 -0.941 -7.633 23 2HD2 LEU 3 2HD2 LEU 3 6.137 -2.151 -8.231 24 3HD2 LEU 3 3HD2 LEU 3 5.241 -1.155 -9.382 25 H GLU 4 H GLU 4 6.373 3.823 -10.532 26 HA GLU 4 HA GLU 4 4.999 5.745 -8.860 27 1HB GLU 4 1HB GLU 4 6.419 6.147 -11.523 28 2HB GLU 4 2HB GLU 4 5.952 7.410 -10.387 29 1HG GLU 4 1HG GLU 4 7.475 6.549 -8.686 30 2HG GLU 4 2HG GLU 4 7.862 5.146 -9.678 31 H LYS 5 H LYS 5 4.620 4.526 -12.174 32 HA LYS 5 HA LYS 5 2.416 6.219 -12.932 33 1HB LYS 5 1HB LYS 5 3.217 3.494 -14.006 34 2HB LYS 5 2HB LYS 5 2.047 4.597 -14.740 35 1HG LYS 5 1HG LYS 5 5.030 5.103 -14.374 36 2HG LYS 5 2HG LYS 5 4.165 4.782 -15.880 37 1HD LYS 5 1HD LYS 5 2.838 6.922 -15.457 38 2HD LYS 5 2HD LYS 5 3.937 7.256 -14.099 39 1HE LYS 5 1HE LYS 5 5.881 7.178 -15.646 40 2HE LYS 5 2HE LYS 5 4.779 6.888 -17.009 41 1HZ LYS 5 1HZ LYS 5 4.782 9.265 -15.285 42 2HZ LYS 5 2HZ LYS 5 5.370 9.180 -16.822 43 3HZ LYS 5 3HZ LYS 5 3.757 8.995 -16.547 44 H ALA 6 H ALA 6 2.551 2.882 -11.696 45 HA ALA 6 HA ALA 6 -0.190 2.358 -11.439 46 1HB ALA 6 1HB ALA 6 1.569 0.691 -11.068 47 2HB ALA 6 2HB ALA 6 2.155 1.569 -9.652 48 3HB ALA 6 3HB ALA 6 0.565 0.808 -9.608 49 H VAL 7 H VAL 7 2.018 3.787 -8.995 50 HA VAL 7 HA VAL 7 0.132 4.381 -7.027 51 HB VAL 7 HB VAL 7 2.854 5.447 -7.771 52 1HG1 VAL 7 1HG1 VAL 7 1.117 6.539 -5.562 53 2HG1 VAL 7 2HG1 VAL 7 2.885 6.692 -5.627 54 3HG1 VAL 7 3HG1 VAL 7 1.893 7.430 -6.893 55 1HG2 VAL 7 1HG2 VAL 7 3.445 4.344 -5.652 56 2HG2 VAL 7 2HG2 VAL 7 1.732 3.982 -5.342 57 3HG2 VAL 7 3HG2 VAL 7 2.569 3.201 -6.683 58 H VAL 8 H VAL 8 1.228 6.691 -9.661 59 HA VAL 8 HA VAL 8 -0.624 8.652 -8.685 60 HB VAL 8 HB VAL 8 -0.319 9.895 -10.699 61 1HG1 VAL 8 1HG1 VAL 8 1.347 10.034 -8.882 62 2HG1 VAL 8 2HG1 VAL 8 2.310 8.762 -9.659 63 3HG1 VAL 8 3HG1 VAL 8 2.075 10.318 -10.472 64 1HG2 VAL 8 1HG2 VAL 8 -0.220 8.096 -12.389 65 2HG2 VAL 8 2HG2 VAL 8 1.190 9.165 -12.492 66 3HG2 VAL 8 3HG2 VAL 8 1.338 7.585 -11.709 67 H ALA 9 H ALA 9 -1.042 5.944 -10.997 68 HA ALA 9 HA ALA 9 -3.677 6.680 -11.800 69 1HB ALA 9 1HB ALA 9 -2.624 3.850 -11.433 70 2HB ALA 9 2HB ALA 9 -4.012 4.374 -12.391 71 3HB ALA 9 3HB ALA 9 -2.374 4.866 -12.866 72 H LEU 10 H LEU 10 -2.558 4.745 -8.932 73 HA LEU 10 HA LEU 10 -5.134 4.257 -7.852 74 1HB LEU 10 1HB LEU 10 -2.660 4.913 -6.198 75 2HB LEU 10 2HB LEU 10 -4.111 4.080 -5.667 76 HG LEU 10 HG LEU 10 -1.995 3.013 -7.557 77 1HD1 LEU 10 1HD1 LEU 10 -1.564 1.434 -5.756 78 2HD1 LEU 10 2HD1 LEU 10 -1.410 3.099 -5.163 79 3HD1 LEU 10 3HD1 LEU 10 -2.869 2.149 -4.787 80 1HD2 LEU 10 1HD2 LEU 10 -3.217 0.869 -7.454 81 2HD2 LEU 10 2HD2 LEU 10 -4.556 1.674 -6.610 82 3HD2 LEU 10 3HD2 LEU 10 -4.151 2.116 -8.295 83 H ILE 11 H ILE 11 -2.923 7.019 -7.260 84 HA ILE 11 HA ILE 11 -4.586 8.428 -5.446 85 HB ILE 11 HB ILE 11 -2.455 9.357 -7.408 86 1HG1 ILE 11 1HG1 ILE 11 -2.432 9.011 -4.384 87 2HG1 ILE 11 2HG1 ILE 11 -1.814 7.811 -5.514 88 1HG2 ILE 11 1HG2 ILE 11 -3.914 11.291 -6.956 89 2HG2 ILE 11 2HG2 ILE 11 -3.776 11.004 -5.212 90 3HG2 ILE 11 3HG2 ILE 11 -2.366 11.492 -6.173 91 1HD1 ILE 11 1HD1 ILE 11 0.037 9.074 -4.637 92 2HD1 ILE 11 2HD1 ILE 11 -0.145 9.450 -6.360 93 3HD1 ILE 11 3HD1 ILE 11 -0.675 10.609 -5.122 94 H ASP 12 H ASP 12 -4.271 8.838 -9.005 95 HA ASP 12 HA ASP 12 -6.104 10.994 -9.125 96 1HB ASP 12 1HB ASP 12 -4.413 10.527 -10.855 97 2HB ASP 12 2HB ASP 12 -5.273 9.054 -11.323 98 H VAL 13 H VAL 13 -6.558 7.495 -9.852 99 HA VAL 13 HA VAL 13 -9.308 7.695 -10.591 100 HB VAL 13 HB VAL 13 -7.702 5.402 -9.405 101 1HG1 VAL 13 1HG1 VAL 13 -10.092 4.945 -9.031 102 2HG1 VAL 13 2HG1 VAL 13 -10.466 5.408 -10.707 103 3HG1 VAL 13 3HG1 VAL 13 -9.504 3.960 -10.371 104 1HG2 VAL 13 1HG2 VAL 13 -6.983 6.336 -11.687 105 2HG2 VAL 13 2HG2 VAL 13 -7.500 4.651 -11.676 106 3HG2 VAL 13 3HG2 VAL 13 -8.597 5.920 -12.278 107 H PHE 14 H PHE 14 -7.726 6.920 -7.425 108 HA PHE 14 HA PHE 14 -10.063 6.700 -5.889 109 1HB PHE 14 1HB PHE 14 -7.854 6.212 -4.992 110 2HB PHE 14 2HB PHE 14 -7.382 7.905 -5.122 111 HD1 PHE 14 HD1 PHE 14 -9.220 5.441 -3.127 112 HD2 PHE 14 HD2 PHE 14 -8.521 9.663 -3.696 113 HE1 PHE 14 HE1 PHE 14 -9.985 5.902 -0.806 114 HE2 PHE 14 HE2 PHE 14 -9.406 10.113 -1.471 115 HZ PHE 14 HZ PHE 14 -10.030 8.221 0.053 116 H HIS 15 H HIS 15 -8.195 9.723 -6.672 117 HA HIS 15 HA HIS 15 -9.841 11.516 -5.311 118 1HB HIS 15 1HB HIS 15 -7.715 12.116 -6.294 119 2HB HIS 15 2HB HIS 15 -8.405 12.027 -7.915 120 HD1 HIS 15 HD1 HIS 15 -11.178 13.612 -6.492 121 HD2 HIS 15 HD2 HIS 15 -7.160 14.747 -7.050 122 HE1 HIS 15 HE1 HIS 15 -11.139 16.160 -6.572 123 H GLN 16 H GLN 16 -10.260 10.264 -8.688 124 HA GLN 16 HA GLN 16 -12.452 11.926 -9.333 125 1HB GLN 16 1HB GLN 16 -12.090 9.070 -10.344 126 2HB GLN 16 2HB GLN 16 -13.038 10.368 -11.068 127 1HG GLN 16 1HG GLN 16 -10.072 9.959 -11.094 128 2HG GLN 16 2HG GLN 16 -11.166 10.355 -12.401 129 1HE2 GLN 16 1HE2 GLN 16 -8.978 11.625 -10.064 130 2HE2 GLN 16 2HE2 GLN 16 -9.256 13.333 -10.419 131 H TYR 17 H TYR 17 -12.505 8.701 -7.796 132 HA TYR 17 HA TYR 17 -15.430 8.687 -7.593 133 1HB TYR 17 1HB TYR 17 -13.234 6.882 -6.585 134 2HB TYR 17 2HB TYR 17 -14.917 6.675 -6.110 135 HD1 TYR 17 HD1 TYR 17 -12.658 6.727 -9.106 136 HD2 TYR 17 HD2 TYR 17 -16.519 5.649 -7.534 137 HE1 TYR 17 HE1 TYR 17 -13.088 5.365 -11.120 138 HE2 TYR 17 HE2 TYR 17 -16.927 4.249 -9.564 139 HH TYR 17 HH TYR 17 -14.509 3.762 -12.069 140 H SER 18 H SER 18 -12.776 9.189 -5.245 141 HA SER 18 HA SER 18 -14.411 9.463 -2.918 142 1HB SER 18 1HB SER 18 -12.407 10.281 -1.875 143 2HB SER 18 2HB SER 18 -11.994 8.947 -2.938 144 HG SER 18 HG SER 18 -11.249 10.339 -4.443 145 H GLY 19 H GLY 19 -13.446 11.883 -5.364 146 1HA GLY 19 1HA GLY 19 -14.078 14.207 -3.885 147 2HA GLY 19 2HA GLY 19 -14.101 14.038 -5.649 148 H ARG 20 H ARG 20 -16.206 11.784 -5.318 149 HA ARG 20 HA ARG 20 -18.362 13.650 -5.832 150 1HB ARG 20 1HB ARG 20 -18.617 10.650 -5.775 151 2HB ARG 20 2HB ARG 20 -19.545 11.838 -6.704 152 1HG ARG 20 1HG ARG 20 -17.241 12.360 -7.895 153 2HG ARG 20 2HG ARG 20 -16.685 10.910 -7.103 154 1HD ARG 20 1HD ARG 20 -18.768 9.738 -8.003 155 2HD ARG 20 2HD ARG 20 -18.852 11.063 -9.186 156 HE ARG 20 HE ARG 20 -16.236 10.291 -9.336 157 1HH1 ARG 20 1HH2 ARG 20 -19.224 8.386 -9.398 158 2HH1 ARG 20 2HH2 ARG 20 -18.496 6.970 -10.085 159 1HH2 ARG 20 2HH1 ARG 20 -15.314 8.533 -10.485 160 2HH2 ARG 20 1HH1 ARG 20 -16.260 7.111 -10.837 161 H GLU 21 H GLU 21 -17.861 10.990 -3.433 162 HA GLU 21 HA GLU 21 -19.586 12.437 -1.558 163 1HB GLU 21 1HB GLU 21 -20.154 9.524 -2.174 164 2HB GLU 21 2HB GLU 21 -20.884 10.511 -0.909 165 1HG GLU 21 1HG GLU 21 -21.830 12.027 -2.659 166 2HG GLU 21 2HG GLU 21 -21.152 10.978 -3.916 167 H GLY 22 H GLY 22 -18.613 12.545 0.287 168 1HA GLY 22 1HA GLY 22 -17.404 11.545 2.172 169 2HA GLY 22 2HA GLY 22 -16.343 10.730 0.995 170 H ASP 23 H ASP 23 -14.654 11.961 0.084 171 HA ASP 23 HA ASP 23 -14.938 14.629 -0.698 172 1HB ASP 23 1HB ASP 23 -13.333 15.804 0.743 173 2HB ASP 23 2HB ASP 23 -14.699 15.266 1.704 174 H LYS 24 H LYS 24 -12.575 15.401 -1.441 175 HA LYS 24 HA LYS 24 -11.679 13.465 -3.212 176 1HB LYS 24 1HB LYS 24 -9.996 15.017 -3.829 177 2HB LYS 24 2HB LYS 24 -11.451 15.920 -3.396 178 1HG LYS 24 1HG LYS 24 -10.350 16.191 -1.038 179 2HG LYS 24 2HG LYS 24 -8.876 15.609 -1.816 180 1HD LYS 24 1HD LYS 24 -10.441 18.153 -2.406 181 2HD LYS 24 2HD LYS 24 -8.778 17.995 -1.817 182 1HE LYS 24 1HE LYS 24 -8.230 16.868 -4.069 183 2HE LYS 24 2HE LYS 24 -9.843 17.373 -4.602 184 1HZ LYS 24 1HZ LYS 24 -9.179 19.641 -4.098 185 2HZ LYS 24 2HZ LYS 24 -7.653 19.105 -3.728 186 3HZ LYS 24 3HZ LYS 24 -8.237 18.932 -5.254 187 H HIS 25 H HIS 25 -10.918 13.482 0.111 188 HA HIS 25 HA HIS 25 -8.480 11.818 -0.235 189 1HB HIS 25 1HB HIS 25 -8.522 14.132 0.948 190 2HB HIS 25 2HB HIS 25 -9.326 13.278 2.268 191 HD1 HIS 25 HD1 HIS 25 -7.724 10.845 2.813 192 HD2 HIS 25 HD2 HIS 25 -6.036 14.460 1.494 193 HE1 HIS 25 HE1 HIS 25 -5.259 10.824 3.553 194 H LYS 26 H LYS 26 -11.819 11.421 0.262 195 HA LYS 26 HA LYS 26 -11.473 8.952 1.824 196 1HB LYS 26 1HB LYS 26 -13.483 11.088 2.605 197 2HB LYS 26 2HB LYS 26 -13.245 9.509 3.370 198 1HG LYS 26 1HG LYS 26 -10.888 10.300 3.994 199 2HG LYS 26 2HG LYS 26 -11.355 11.903 3.407 200 1HD LYS 26 1HD LYS 26 -13.235 11.949 5.021 201 2HD LYS 26 2HD LYS 26 -12.788 10.334 5.601 202 1HE LYS 26 1HE LYS 26 -10.573 11.202 6.327 203 2HE LYS 26 2HE LYS 26 -11.016 12.817 5.739 204 1HZ LYS 26 1HZ LYS 26 -12.808 12.835 7.308 205 2HZ LYS 26 2HZ LYS 26 -12.414 11.333 7.852 206 3HZ LYS 26 3HZ LYS 26 -11.373 12.590 8.081 207 H LEU 27 H LEU 27 -12.720 7.330 1.031 208 HA LEU 27 HA LEU 27 -14.756 7.947 -1.072 209 1HB LEU 27 1HB LEU 27 -13.322 5.429 -0.155 210 2HB LEU 27 2HB LEU 27 -14.754 5.353 -1.181 211 HG LEU 27 HG LEU 27 -12.294 6.890 -2.012 212 1HD1 LEU 27 1HD1 LEU 27 -13.125 4.039 -2.700 213 2HD1 LEU 27 2HD1 LEU 27 -11.720 4.894 -3.362 214 3HD1 LEU 27 3HD1 LEU 27 -11.760 4.457 -1.640 215 1HD2 LEU 27 1HD2 LEU 27 -13.234 6.694 -4.235 216 2HD2 LEU 27 2HD2 LEU 27 -14.532 5.622 -3.674 217 3HD2 LEU 27 3HD2 LEU 27 -14.535 7.321 -3.209 218 H LYS 28 H LYS 28 -16.875 8.137 -0.393 219 HA LYS 28 HA LYS 28 -17.793 6.747 2.013 220 1HB LYS 28 1HB LYS 28 -18.639 8.991 1.166 221 2HB LYS 28 2HB LYS 28 -19.409 8.118 -0.163 222 1HG LYS 28 1HG LYS 28 -21.029 8.630 1.517 223 2HG LYS 28 2HG LYS 28 -20.813 6.883 1.531 224 1HD LYS 28 1HD LYS 28 -19.384 7.072 3.564 225 2HD LYS 28 2HD LYS 28 -19.435 8.846 3.436 226 1HE LYS 28 1HE LYS 28 -21.877 8.804 3.830 227 2HE LYS 28 2HE LYS 28 -21.826 7.035 3.969 228 1HZ LYS 28 1HZ LYS 28 -21.766 8.108 6.096 229 2HZ LYS 28 2HZ LYS 28 -20.354 7.299 5.841 230 3HZ LYS 28 3HZ LYS 28 -20.400 8.938 5.698 231 H LYS 29 H LYS 29 -19.447 5.067 1.949 232 HA LYS 29 HA LYS 29 -18.690 2.886 0.374 233 1HB LYS 29 1HB LYS 29 -20.545 1.688 1.416 234 2HB LYS 29 2HB LYS 29 -19.739 2.706 2.586 235 1HG LYS 29 1HG LYS 29 -21.528 4.449 2.308 236 2HG LYS 29 2HG LYS 29 -22.366 3.357 1.184 237 1HD LYS 29 1HD LYS 29 -22.593 1.665 2.963 238 2HD LYS 29 2HD LYS 29 -21.628 2.652 4.065 239 1HE LYS 29 1HE LYS 29 -23.980 2.902 4.619 240 2HE LYS 29 2HE LYS 29 -23.348 4.439 4.012 241 1HZ LYS 29 1HZ LYS 29 -24.972 2.492 2.516 242 2HZ LYS 29 2HZ LYS 29 -25.461 3.958 3.077 243 3HZ LYS 29 3HZ LYS 29 -24.340 3.879 1.874 244 H SER 30 H SER 30 -21.125 5.261 -0.473 245 HA SER 30 HA SER 30 -22.359 3.924 -2.637 246 1HB SER 30 1HB SER 30 -22.292 6.514 -3.380 247 2HB SER 30 2HB SER 30 -23.333 5.947 -2.064 248 HG SER 30 HG SER 30 -22.015 7.793 -1.525 249 H GLU 31 H GLU 31 -19.269 5.745 -2.337 250 HA GLU 31 HA GLU 31 -18.748 5.570 -5.215 251 1HB GLU 31 1HB GLU 31 -16.905 6.569 -3.004 252 2HB GLU 31 2HB GLU 31 -16.835 6.920 -4.741 253 1HG GLU 31 1HG GLU 31 -18.905 7.833 -2.725 254 2HG GLU 31 2HG GLU 31 -17.777 8.847 -3.621 255 H LEU 32 H LEU 32 -17.436 4.256 -2.167 256 HA LEU 32 HA LEU 32 -15.347 2.751 -3.274 257 1HB LEU 32 1HB LEU 32 -15.691 3.206 -0.879 258 2HB LEU 32 2HB LEU 32 -17.053 2.072 -0.866 259 HG LEU 32 HG LEU 32 -14.797 1.350 0.078 260 1HD1 LEU 32 1HD1 LEU 32 -16.662 -0.205 -0.281 261 2HD1 LEU 32 2HD1 LEU 32 -16.050 -0.564 -1.909 262 3HD1 LEU 32 3HD1 LEU 32 -15.078 -0.956 -0.479 263 1HD2 LEU 32 1HD2 LEU 32 -13.275 2.081 -1.579 264 2HD2 LEU 32 2HD2 LEU 32 -13.171 0.327 -1.407 265 3HD2 LEU 32 3HD2 LEU 32 -13.994 1.026 -2.811 266 H LYS 33 H LYS 33 -18.823 1.882 -2.813 267 HA LYS 33 HA LYS 33 -18.719 -0.781 -3.644 268 1HB LYS 33 1HB LYS 33 -20.675 0.222 -2.703 269 2HB LYS 33 2HB LYS 33 -20.834 1.386 -3.988 270 1HG LYS 33 1HG LYS 33 -21.434 -0.469 -5.568 271 2HG LYS 33 2HG LYS 33 -21.034 -1.658 -4.319 272 1HD LYS 33 1HD LYS 33 -22.852 -0.456 -2.874 273 2HD LYS 33 2HD LYS 33 -23.364 0.292 -4.400 274 1HE LYS 33 1HE LYS 33 -23.597 -2.053 -5.367 275 2HE LYS 33 2HE LYS 33 -23.149 -2.694 -3.775 276 1HZ LYS 33 1HZ LYS 33 -25.440 -2.718 -3.946 277 2HZ LYS 33 2HZ LYS 33 -25.538 -1.125 -4.395 278 3HZ LYS 33 3HZ LYS 33 -25.056 -1.533 -2.871 279 H GLU 34 H GLU 34 -19.375 2.092 -5.749 280 HA GLU 34 HA GLU 34 -19.410 0.429 -8.104 281 1HB GLU 34 1HB GLU 34 -19.362 2.561 -9.385 282 2HB GLU 34 2HB GLU 34 -20.688 2.423 -8.225 283 1HG GLU 34 1HG GLU 34 -19.613 3.930 -6.681 284 2HG GLU 34 2HG GLU 34 -18.133 3.969 -7.631 285 H LEU 35 H LEU 35 -16.904 2.421 -6.543 286 HA LEU 35 HA LEU 35 -14.843 2.273 -8.415 287 1HB LEU 35 1HB LEU 35 -14.788 3.591 -6.388 288 2HB LEU 35 2HB LEU 35 -14.848 2.151 -5.398 289 HG LEU 35 HG LEU 35 -12.719 3.167 -5.282 290 1HD1 LEU 35 1HD1 LEU 35 -11.239 1.368 -5.640 291 2HD1 LEU 35 2HD1 LEU 35 -12.802 0.660 -5.225 292 3HD1 LEU 35 3HD1 LEU 35 -12.211 0.660 -6.911 293 1HD2 LEU 35 1HD2 LEU 35 -12.705 4.314 -7.458 294 2HD2 LEU 35 2HD2 LEU 35 -11.185 3.505 -7.077 295 3HD2 LEU 35 3HD2 LEU 35 -12.307 2.778 -8.262 296 H ILE 36 H ILE 36 -15.568 -0.106 -5.744 297 HA ILE 36 HA ILE 36 -13.527 -1.903 -6.626 298 HB ILE 36 HB ILE 36 -16.013 -2.473 -4.971 299 1HG1 ILE 36 1HG1 ILE 36 -14.402 -0.792 -3.996 300 2HG1 ILE 36 2HG1 ILE 36 -14.689 -2.234 -3.025 301 1HG2 ILE 36 1HG2 ILE 36 -14.593 -4.441 -4.171 302 2HG2 ILE 36 2HG2 ILE 36 -15.223 -4.574 -5.828 303 3HG2 ILE 36 3HG2 ILE 36 -13.532 -4.134 -5.553 304 1HD1 ILE 36 1HD1 ILE 36 -12.533 -3.140 -3.682 305 2HD1 ILE 36 2HD1 ILE 36 -12.231 -1.762 -4.769 306 3HD1 ILE 36 3HD1 ILE 36 -12.344 -1.510 -3.018 307 H ASN 37 H ASN 37 -17.071 -1.950 -7.140 308 HA ASN 37 HA ASN 37 -17.304 -4.311 -8.636 309 1HB ASN 37 1HB ASN 37 -18.812 -1.674 -8.696 310 2HB ASN 37 2HB ASN 37 -19.156 -2.927 -9.899 311 1HD2 ASN 37 2HD2 ASN 37 -19.181 -2.323 -6.370 312 2HD2 ASN 37 1HD2 ASN 37 -20.419 -3.543 -6.051 313 H ASN 38 H ASN 38 -16.597 -1.024 -9.851 314 HA ASN 38 HA ASN 38 -16.506 -1.912 -12.615 315 1HB ASN 38 1HB ASN 38 -17.365 0.272 -11.946 316 2HB ASN 38 2HB ASN 38 -15.799 0.705 -11.231 317 1HD2 ASN 38 2HD2 ASN 38 -16.120 2.622 -12.677 318 2HD2 ASN 38 1HD2 ASN 38 -15.595 2.458 -14.350 319 H GLU 39 H GLU 39 -13.992 -0.563 -10.328 320 HA GLU 39 HA GLU 39 -12.010 -1.002 -12.380 321 1HB GLU 39 1HB GLU 39 -11.870 0.142 -9.584 322 2HB GLU 39 2HB GLU 39 -10.431 -0.262 -10.510 323 1HG GLU 39 1HG GLU 39 -10.862 2.045 -10.855 324 2HG GLU 39 2HG GLU 39 -11.120 1.178 -12.375 325 H LEU 40 H LEU 40 -12.941 -2.836 -9.461 326 HA LEU 40 HA LEU 40 -10.426 -4.398 -9.623 327 1HB LEU 40 1HB LEU 40 -11.816 -3.416 -7.472 328 2HB LEU 40 2HB LEU 40 -12.520 -5.017 -7.608 329 HG LEU 40 HG LEU 40 -10.131 -5.925 -7.520 330 1HD1 LEU 40 1HD1 LEU 40 -8.853 -3.873 -8.164 331 2HD1 LEU 40 2HD1 LEU 40 -9.507 -3.033 -6.741 332 3HD1 LEU 40 3HD1 LEU 40 -8.414 -4.410 -6.537 333 1HD2 LEU 40 1HD2 LEU 40 -10.988 -4.175 -5.178 334 2HD2 LEU 40 2HD2 LEU 40 -11.687 -5.753 -5.567 335 3HD2 LEU 40 3HD2 LEU 40 -9.982 -5.638 -5.095 336 H SER 41 H SER 41 -12.900 -4.524 -11.532 337 HA SER 41 HA SER 41 -14.500 -6.716 -11.102 338 1HB SER 41 1HB SER 41 -14.700 -6.548 -13.700 339 2HB SER 41 2HB SER 41 -15.178 -5.167 -12.704 340 HG SER 41 HG SER 41 -13.631 -4.024 -13.534 341 H HIS 42 H HIS 42 -11.203 -6.746 -12.472 342 HA HIS 42 HA HIS 42 -11.541 -9.397 -13.633 343 1HB HIS 42 1HB HIS 42 -9.902 -7.568 -14.375 344 2HB HIS 42 2HB HIS 42 -8.906 -8.061 -12.994 345 HD1 HIS 42 HD1 HIS 42 -9.474 -11.273 -13.452 346 HD2 HIS 42 HD2 HIS 42 -8.130 -8.374 -16.194 347 HE1 HIS 42 HE1 HIS 42 -8.186 -12.525 -15.284 348 H PHE 43 H PHE 43 -10.672 -8.090 -10.483 349 HA PHE 43 HA PHE 43 -9.524 -10.687 -9.552 350 1HB PHE 43 1HB PHE 43 -9.655 -7.891 -8.405 351 2HB PHE 43 2HB PHE 43 -9.303 -9.305 -7.417 352 HD1 PHE 43 HD1 PHE 43 -7.915 -9.170 -10.876 353 HD2 PHE 43 HD2 PHE 43 -7.217 -8.352 -6.692 354 HE1 PHE 43 HE1 PHE 43 -5.497 -9.010 -11.305 355 HE2 PHE 43 HE2 PHE 43 -4.785 -8.198 -7.132 356 HZ PHE 43 HZ PHE 43 -3.922 -8.573 -9.442 357 H LEU 44 H LEU 44 -12.126 -8.336 -8.678 358 HA LEU 44 HA LEU 44 -13.415 -10.487 -7.037 359 1HB LEU 44 1HB LEU 44 -13.315 -7.471 -6.784 360 2HB LEU 44 2HB LEU 44 -14.712 -8.374 -6.197 361 HG LEU 44 HG LEU 44 -13.273 -9.832 -4.846 362 1HD1 LEU 44 1HD1 LEU 44 -11.110 -9.712 -5.877 363 2HD1 LEU 44 2HD1 LEU 44 -11.082 -7.934 -5.805 364 3HD1 LEU 44 3HD1 LEU 44 -10.926 -8.904 -4.322 365 1HD2 LEU 44 1HD2 LEU 44 -14.393 -7.863 -3.870 366 2HD2 LEU 44 2HD2 LEU 44 -12.843 -8.176 -3.068 367 3HD2 LEU 44 3HD2 LEU 44 -12.997 -6.851 -4.234 368 H GLU 45 H GLU 45 -15.474 -11.016 -7.381 369 HA GLU 45 HA GLU 45 -16.735 -10.227 -9.920 370 1HB GLU 45 1HB GLU 45 -18.562 -11.716 -9.252 371 2HB GLU 45 2HB GLU 45 -16.989 -12.518 -9.232 372 1HG GLU 45 1HG GLU 45 -16.914 -12.349 -6.758 373 2HG GLU 45 2HG GLU 45 -18.448 -11.463 -6.767 374 H GLU 46 H GLU 46 -19.000 -9.332 -9.880 375 HA GLU 46 HA GLU 46 -18.876 -6.812 -8.722 376 1HB GLU 46 1HB GLU 46 -20.946 -6.369 -9.754 377 2HB GLU 46 2HB GLU 46 -20.116 -7.526 -10.798 378 1HG GLU 46 1HG GLU 46 -21.427 -9.350 -9.540 379 2HG GLU 46 2HG GLU 46 -22.289 -8.016 -8.762 380 H ILE 47 H ILE 47 -19.881 -5.788 -7.161 381 HA ILE 47 HA ILE 47 -20.665 -7.431 -4.793 382 HB ILE 47 HB ILE 47 -19.368 -4.710 -4.508 383 1HG1 ILE 47 1HG1 ILE 47 -18.078 -7.347 -5.160 384 2HG1 ILE 47 2HG1 ILE 47 -17.771 -5.748 -5.866 385 1HG2 ILE 47 1HG2 ILE 47 -18.821 -5.642 -2.307 386 2HG2 ILE 47 2HG2 ILE 47 -19.460 -7.219 -2.777 387 3HG2 ILE 47 3HG2 ILE 47 -20.554 -5.836 -2.605 388 1HD1 ILE 47 1HD1 ILE 47 -16.946 -6.740 -3.112 389 2HD1 ILE 47 2HD1 ILE 47 -15.933 -6.353 -4.508 390 3HD1 ILE 47 3HD1 ILE 47 -16.803 -5.045 -3.661 391 H LYS 48 H LYS 48 -22.741 -7.366 -5.564 392 HA LYS 48 HA LYS 48 -24.353 -5.014 -5.832 393 1HB LYS 48 1HB LYS 48 -26.212 -6.631 -5.792 394 2HB LYS 48 2HB LYS 48 -24.896 -7.146 -6.852 395 1HG LYS 48 1HG LYS 48 -24.079 -8.623 -4.866 396 2HG LYS 48 2HG LYS 48 -25.643 -8.264 -4.117 397 1HD LYS 48 1HD LYS 48 -26.810 -9.305 -5.992 398 2HD LYS 48 2HD LYS 48 -25.287 -9.493 -6.888 399 1HE LYS 48 1HE LYS 48 -24.393 -10.984 -5.117 400 2HE LYS 48 2HE LYS 48 -25.898 -10.807 -4.197 401 1HZ LYS 48 1HZ LYS 48 -25.650 -11.974 -6.880 402 2HZ LYS 48 2HZ LYS 48 -27.055 -11.811 -6.033 403 3HZ LYS 48 3HZ LYS 48 -25.866 -12.806 -5.475 404 H GLU 49 H GLU 49 -23.494 -7.102 -3.077 405 HA GLU 49 HA GLU 49 -25.656 -6.081 -1.443 406 1HB GLU 49 1HB GLU 49 -24.847 -8.441 -1.471 407 2HB GLU 49 2HB GLU 49 -23.384 -7.920 -0.614 408 1HG GLU 49 1HG GLU 49 -24.752 -7.130 1.264 409 2HG GLU 49 2HG GLU 49 -26.248 -7.436 0.365 410 H GLN 50 H GLN 50 -25.355 -3.934 -1.132 411 HA GLN 50 HA GLN 50 -23.209 -2.402 -0.538 412 1HB GLN 50 1HB GLN 50 -25.570 -1.688 -0.806 413 2HB GLN 50 2HB GLN 50 -25.890 -2.119 0.874 414 1HG GLN 50 1HG GLN 50 -23.537 -0.289 0.384 415 2HG GLN 50 2HG GLN 50 -25.121 0.347 -0.037 416 1HE2 GLN 50 2HE2 GLN 50 -23.405 -1.229 2.752 417 2HE2 GLN 50 1HE2 GLN 50 -24.365 -0.368 3.950 418 H GLU 51 H GLU 51 -24.850 -4.554 1.797 419 HA GLU 51 HA GLU 51 -23.630 -3.586 4.159 420 1HB GLU 51 1HB GLU 51 -24.578 -6.410 3.481 421 2HB GLU 51 2HB GLU 51 -24.110 -5.834 5.074 422 1HG GLU 51 1HG GLU 51 -26.494 -5.775 4.972 423 2HG GLU 51 2HG GLU 51 -25.896 -4.115 5.028 424 H VAL 52 H VAL 52 -22.394 -5.840 1.652 425 HA VAL 52 HA VAL 52 -20.151 -6.631 3.339 426 HB VAL 52 HB VAL 52 -20.554 -7.109 0.353 427 1HG1 VAL 52 1HG1 VAL 52 -18.958 -8.995 0.862 428 2HG1 VAL 52 2HG1 VAL 52 -18.221 -7.391 0.957 429 3HG1 VAL 52 3HG1 VAL 52 -18.656 -8.266 2.444 430 1HG2 VAL 52 1HG2 VAL 52 -21.177 -8.873 2.769 431 2HG2 VAL 52 2HG2 VAL 52 -22.380 -8.105 1.717 432 3HG2 VAL 52 3HG2 VAL 52 -21.314 -9.355 1.067 433 H VAL 53 H VAL 53 -20.700 -4.251 0.662 434 HA VAL 53 HA VAL 53 -17.983 -3.485 0.458 435 HB VAL 53 HB VAL 53 -18.543 -1.836 -0.838 436 1HG1 VAL 53 1HG1 VAL 53 -19.739 -3.680 -1.769 437 2HG1 VAL 53 2HG1 VAL 53 -21.221 -3.236 -0.902 438 3HG1 VAL 53 3HG1 VAL 53 -20.560 -2.163 -2.136 439 1HG2 VAL 53 1HG2 VAL 53 -21.011 -1.022 0.712 440 2HG2 VAL 53 2HG2 VAL 53 -20.339 -0.218 -0.689 441 3HG2 VAL 53 3HG2 VAL 53 -19.403 -0.260 0.780 442 H ASP 54 H ASP 54 -20.659 -2.239 2.488 443 HA ASP 54 HA ASP 54 -19.193 -0.387 3.980 444 1HB ASP 54 1HB ASP 54 -21.624 -0.551 4.063 445 2HB ASP 54 2HB ASP 54 -21.528 -2.107 4.910 446 H LYS 55 H LYS 55 -19.655 -3.947 4.553 447 HA LYS 55 HA LYS 55 -18.256 -4.020 6.959 448 1HB LYS 55 1HB LYS 55 -19.659 -5.872 6.157 449 2HB LYS 55 2HB LYS 55 -18.509 -6.203 4.853 450 1HG LYS 55 1HG LYS 55 -18.243 -7.811 6.650 451 2HG LYS 55 2HG LYS 55 -16.773 -6.850 6.467 452 1HD LYS 55 1HD LYS 55 -17.522 -5.410 8.396 453 2HD LYS 55 2HD LYS 55 -18.966 -6.431 8.546 454 1HE LYS 55 1HE LYS 55 -17.449 -8.376 9.028 455 2HE LYS 55 2HE LYS 55 -16.043 -7.307 8.821 456 1HZ LYS 55 1HZ LYS 55 -18.132 -7.021 10.862 457 2HZ LYS 55 2HZ LYS 55 -16.590 -7.550 11.109 458 3HZ LYS 55 3HZ LYS 55 -16.867 -5.992 10.645 459 H VAL 56 H VAL 56 -16.933 -4.583 3.613 460 HA VAL 56 HA VAL 56 -14.299 -5.114 4.649 461 HB VAL 56 HB VAL 56 -13.429 -4.918 2.436 462 1HG1 VAL 56 1HG1 VAL 56 -14.707 -6.711 1.370 463 2HG1 VAL 56 2HG1 VAL 56 -16.092 -6.406 2.427 464 3HG1 VAL 56 3HG1 VAL 56 -14.570 -7.004 3.113 465 1HG2 VAL 56 1HG2 VAL 56 -14.707 -2.999 1.544 466 2HG2 VAL 56 2HG2 VAL 56 -16.166 -4.012 1.533 467 3HG2 VAL 56 3HG2 VAL 56 -14.802 -4.408 0.479 468 H MET 57 H MET 57 -15.927 -2.088 3.618 469 HA MET 57 HA MET 57 -13.650 -0.386 3.982 470 1HB MET 57 1HB MET 57 -16.633 0.087 4.412 471 2HB MET 57 2HB MET 57 -15.403 1.348 4.567 472 1HG MET 57 1HG MET 57 -14.691 0.999 2.263 473 2HG MET 57 2HG MET 57 -15.809 -0.354 2.081 474 1HE MET 57 1HE MET 57 -16.961 4.075 2.285 475 2HE MET 57 2HE MET 57 -15.995 3.286 3.547 476 3HE MET 57 3HE MET 57 -15.342 3.457 1.902 477 H GLU 58 H GLU 58 -16.235 -1.326 6.259 478 HA GLU 58 HA GLU 58 -15.390 -0.013 8.543 479 1HB GLU 58 1HB GLU 58 -17.508 -1.184 8.433 480 2HB GLU 58 2HB GLU 58 -16.699 -2.752 8.307 481 1HG GLU 58 1HG GLU 58 -15.761 -2.497 10.578 482 2HG GLU 58 2HG GLU 58 -16.504 -0.896 10.696 483 H THR 59 H THR 59 -14.429 -3.218 7.395 484 HA THR 59 HA THR 59 -12.673 -3.971 9.438 485 HB THR 59 HB THR 59 -12.498 -4.600 6.463 486 HG1 THR 59 HG1 THR 59 -14.502 -5.123 7.365 487 1HG2 THR 59 1HG2 THR 59 -10.437 -5.319 7.557 488 2HG2 THR 59 2HG2 THR 59 -11.373 -6.096 8.858 489 3HG2 THR 59 3HG2 THR 59 -11.459 -6.715 7.193 490 H LEU 60 H LEU 60 -12.062 -1.628 6.798 491 HA LEU 60 HA LEU 60 -9.260 -1.273 7.819 492 1HB LEU 60 1HB LEU 60 -10.487 -0.407 5.156 493 2HB LEU 60 2HB LEU 60 -8.899 0.031 5.763 494 HG LEU 60 HG LEU 60 -8.479 -1.582 4.231 495 1HD1 LEU 60 1HD1 LEU 60 -7.230 -1.696 6.417 496 2HD1 LEU 60 2HD1 LEU 60 -8.244 -3.094 6.847 497 3HD1 LEU 60 3HD1 LEU 60 -7.183 -3.158 5.427 498 1HD2 LEU 60 1HD2 LEU 60 -10.684 -2.656 4.058 499 2HD2 LEU 60 2HD2 LEU 60 -9.365 -3.833 4.154 500 3HD2 LEU 60 3HD2 LEU 60 -10.380 -3.539 5.572 501 H ASP 61 H ASP 61 -12.356 0.087 8.152 502 HA ASP 61 HA ASP 61 -11.705 2.817 7.806 503 1HB ASP 61 1HB ASP 61 -13.981 1.943 7.625 504 2HB ASP 61 2HB ASP 61 -13.973 1.561 9.361 505 H SER 62 H SER 62 -9.607 2.605 9.116 506 HA SER 62 HA SER 62 -9.583 2.838 11.915 507 1HB SER 62 1HB SER 62 -7.756 4.309 9.974 508 2HB SER 62 2HB SER 62 -7.414 3.830 11.644 509 HG SER 62 HG SER 62 -7.525 2.241 9.326 510 H ASP 63 H ASP 63 -10.758 5.118 9.514 511 HA ASP 63 HA ASP 63 -10.562 7.486 11.183 512 1HB ASP 63 1HB ASP 63 -12.473 6.979 8.863 513 2HB ASP 63 2HB ASP 63 -11.958 8.529 9.519 514 H GLY 64 H GLY 64 -12.649 4.688 11.209 515 1HA GLY 64 1HA GLY 64 -14.717 4.246 12.036 516 2HA GLY 64 2HA GLY 64 -14.305 5.396 13.319 517 H ASP 65 H ASP 65 -14.767 6.055 9.818 518 HA ASP 65 HA ASP 65 -16.860 8.072 10.547 519 1HB ASP 65 1HB ASP 65 -14.559 8.940 9.973 520 2HB ASP 65 2HB ASP 65 -14.744 8.226 8.361 521 H GLY 66 H GLY 66 -16.648 5.101 9.258 522 1HA GLY 66 1HA GLY 66 -18.046 3.933 7.916 523 2HA GLY 66 2HA GLY 66 -18.933 5.399 7.461 524 H GLU 67 H GLU 67 -17.373 6.998 6.261 525 HA GLU 67 HA GLU 67 -16.462 5.798 3.815 526 1HB GLU 67 1HB GLU 67 -15.575 8.050 3.270 527 2HB GLU 67 2HB GLU 67 -17.256 8.060 3.794 528 1HG GLU 67 1HG GLU 67 -16.421 8.748 6.110 529 2HG GLU 67 2HG GLU 67 -14.841 8.992 5.366 530 H CYS 68 H CYS 68 -14.364 5.470 3.050 531 HA CYS 68 HA CYS 68 -12.345 4.954 5.219 532 1HB CYS 68 1HB CYS 68 -13.036 3.498 2.681 533 2HB CYS 68 2HB CYS 68 -11.319 3.588 3.145 534 HG CYS 68 HG CYS 68 -12.041 1.381 4.024 535 H ASP 69 H ASP 69 -10.564 6.174 5.301 536 HA ASP 69 HA ASP 69 -10.158 8.327 3.441 537 1HB ASP 69 1HB ASP 69 -9.603 8.531 5.801 538 2HB ASP 69 2HB ASP 69 -8.405 7.221 5.681 539 H PHE 70 H PHE 70 -8.278 8.628 2.112 540 HA PHE 70 HA PHE 70 -7.593 6.661 0.356 541 1HB PHE 70 1HB PHE 70 -6.991 9.023 0.114 542 2HB PHE 70 2HB PHE 70 -5.763 8.866 1.368 543 HD1 PHE 70 HD1 PHE 70 -3.532 8.179 0.736 544 HD2 PHE 70 HD2 PHE 70 -6.841 7.403 -1.889 545 HE1 PHE 70 HE1 PHE 70 -1.970 7.454 -1.018 546 HE2 PHE 70 HE2 PHE 70 -5.277 6.701 -3.685 547 HZ PHE 70 HZ PHE 70 -2.841 6.713 -3.261 548 H GLN 71 H GLN 71 -5.908 7.207 3.519 549 HA GLN 71 HA GLN 71 -3.905 5.212 3.061 550 1HB GLN 71 1HB GLN 71 -5.115 6.074 5.721 551 2HB GLN 71 2HB GLN 71 -3.623 5.158 5.464 552 1HG GLN 71 1HG GLN 71 -3.099 7.316 3.878 553 2HG GLN 71 2HG GLN 71 -4.185 8.062 5.059 554 1HE2 GLN 71 2HE2 GLN 71 -0.952 6.912 4.449 555 2HE2 GLN 71 1HE2 GLN 71 -0.370 7.036 6.115 556 H GLU 72 H GLU 72 -7.272 4.928 4.250 557 HA GLU 72 HA GLU 72 -6.928 2.168 5.141 558 1HB GLU 72 1HB GLU 72 -9.518 3.620 4.497 559 2HB GLU 72 2HB GLU 72 -9.296 2.210 5.518 560 1HG GLU 72 1HG GLU 72 -8.745 5.097 6.080 561 2HG GLU 72 2HG GLU 72 -9.567 3.915 7.079 562 H PHE 73 H PHE 73 -8.189 3.859 2.299 563 HA PHE 73 HA PHE 73 -8.883 1.612 0.690 564 1HB PHE 73 1HB PHE 73 -9.523 3.700 -0.080 565 2HB PHE 73 2HB PHE 73 -7.948 4.419 0.154 566 HD1 PHE 73 HD1 PHE 73 -6.287 4.427 -1.605 567 HD2 PHE 73 HD2 PHE 73 -9.892 2.086 -2.016 568 HE1 PHE 73 HE1 PHE 73 -5.920 4.275 -4.051 569 HE2 PHE 73 HE2 PHE 73 -9.500 1.934 -4.455 570 HZ PHE 73 HZ PHE 73 -7.604 3.136 -5.502 571 H MET 74 H MET 74 -5.689 3.334 0.924 572 HA MET 74 HA MET 74 -4.261 1.520 -0.672 573 1HB MET 74 1HB MET 74 -3.358 3.252 1.654 574 2HB MET 74 2HB MET 74 -2.243 2.288 0.696 575 1HG MET 74 1HG MET 74 -4.043 4.492 -0.384 576 2HG MET 74 2HG MET 74 -2.319 4.622 -0.064 577 1HE MET 74 1HE MET 74 -1.273 1.763 -1.286 578 2HE MET 74 2HE MET 74 -0.828 2.327 -2.905 579 3HE MET 74 3HE MET 74 -0.460 3.333 -1.492 580 H ALA 75 H ALA 75 -4.879 1.333 2.826 581 HA ALA 75 HA ALA 75 -3.422 -1.065 3.289 582 1HB ALA 75 1HB ALA 75 -4.744 -1.307 5.314 583 2HB ALA 75 2HB ALA 75 -4.291 0.393 5.086 584 3HB ALA 75 3HB ALA 75 -5.944 -0.145 4.724 585 H PHE 76 H PHE 76 -6.777 -0.607 2.127 586 HA PHE 76 HA PHE 76 -7.493 -3.412 2.179 587 1HB PHE 76 1HB PHE 76 -9.265 -1.824 2.057 588 2HB PHE 76 2HB PHE 76 -8.564 -1.042 0.654 589 HD1 PHE 76 HD1 PHE 76 -8.995 -1.695 -1.542 590 HD2 PHE 76 HD2 PHE 76 -10.123 -4.289 1.728 591 HE1 PHE 76 HE1 PHE 76 -10.217 -3.137 -3.115 592 HE2 PHE 76 HE2 PHE 76 -11.476 -5.655 0.150 593 HZ PHE 76 HZ PHE 76 -11.496 -5.092 -2.293 594 H VAL 77 H VAL 77 -6.309 -1.198 -0.377 595 HA VAL 77 HA VAL 77 -5.975 -3.098 -2.437 596 HB VAL 77 HB VAL 77 -4.479 -0.536 -1.815 597 1HG1 VAL 77 1HG1 VAL 77 -3.178 -1.954 -3.450 598 2HG1 VAL 77 2HG1 VAL 77 -4.629 -2.118 -4.443 599 3HG1 VAL 77 3HG1 VAL 77 -3.863 -0.529 -4.235 600 1HG2 VAL 77 1HG2 VAL 77 -5.975 0.454 -3.507 601 2HG2 VAL 77 2HG2 VAL 77 -6.746 -1.120 -3.789 602 3HG2 VAL 77 3HG2 VAL 77 -6.962 -0.288 -2.247 603 H ALA 78 H ALA 78 -3.802 -2.264 0.307 604 HA ALA 78 HA ALA 78 -1.609 -3.811 -0.496 605 1HB ALA 78 1HB ALA 78 -2.463 -3.380 2.387 606 2HB ALA 78 2HB ALA 78 -0.851 -3.743 1.772 607 3HB ALA 78 3HB ALA 78 -1.604 -2.182 1.399 608 H MET 79 H MET 79 -4.362 -4.841 1.645 609 HA MET 79 HA MET 79 -3.398 -7.538 1.799 610 1HB MET 79 1HB MET 79 -5.630 -8.234 2.446 611 2HB MET 79 2HB MET 79 -5.016 -6.883 3.416 612 1HG MET 79 1HG MET 79 -6.510 -5.369 2.305 613 2HG MET 79 2HG MET 79 -6.964 -6.598 1.097 614 1HE MET 79 1HE MET 79 -6.784 -6.886 5.069 615 2HE MET 79 2HE MET 79 -7.451 -5.285 4.661 616 3HE MET 79 3HE MET 79 -8.494 -6.515 5.411 617 H ILE 80 H ILE 80 -5.576 -5.960 -0.562 618 HA ILE 80 HA ILE 80 -6.278 -8.344 -1.945 619 HB ILE 80 HB ILE 80 -6.093 -5.461 -2.870 620 1HG1 ILE 80 1HG1 ILE 80 -7.702 -6.068 -0.971 621 2HG1 ILE 80 2HG1 ILE 80 -8.361 -5.248 -2.387 622 1HG2 ILE 80 1HG2 ILE 80 -7.335 -7.837 -4.297 623 2HG2 ILE 80 2HG2 ILE 80 -7.669 -6.135 -4.694 624 3HG2 ILE 80 3HG2 ILE 80 -6.038 -6.777 -4.885 625 1HD1 ILE 80 1HD1 ILE 80 -8.548 -8.250 -1.883 626 2HD1 ILE 80 2HD1 ILE 80 -9.787 -7.057 -1.469 627 3HD1 ILE 80 3HD1 ILE 80 -9.365 -7.319 -3.168 628 H THR 81 H THR 81 -3.703 -5.967 -2.719 629 HA THR 81 HA THR 81 -2.650 -7.335 -4.956 630 HB THR 81 HB THR 81 -0.488 -6.116 -4.340 631 HG1 THR 81 HG1 THR 81 -2.119 -4.995 -2.308 632 1HG2 THR 81 1HG2 THR 81 -1.933 -5.011 -5.851 633 2HG2 THR 81 2HG2 THR 81 -3.070 -4.533 -4.569 634 3HG2 THR 81 3HG2 THR 81 -1.445 -3.812 -4.653 635 H THR 82 H THR 82 -1.654 -7.482 -1.502 636 HA THR 82 HA THR 82 0.342 -9.450 -1.706 637 HB THR 82 HB THR 82 -1.693 -9.037 0.536 638 HG1 THR 82 HG1 THR 82 -0.570 -7.169 0.061 639 1HG2 THR 82 1HG2 THR 82 0.067 -9.949 2.006 640 2HG2 THR 82 2HG2 THR 82 -0.490 -11.149 0.846 641 3HG2 THR 82 3HG2 THR 82 1.066 -10.326 0.584 642 H ALA 83 H ALA 83 -3.184 -9.896 -1.175 643 HA ALA 83 HA ALA 83 -3.128 -12.695 -0.965 644 1HB ALA 83 1HB ALA 83 -5.562 -12.553 -1.482 645 2HB ALA 83 2HB ALA 83 -5.059 -11.377 -0.247 646 3HB ALA 83 3HB ALA 83 -5.361 -10.849 -1.916 647 H CYS 84 H CYS 84 -3.694 -10.611 -3.832 648 HA CYS 84 HA CYS 84 -4.068 -12.831 -5.603 649 1HB CYS 84 1HB CYS 84 -4.930 -10.710 -6.222 650 2HB CYS 84 2HB CYS 84 -3.314 -9.958 -6.154 651 HG CYS 84 HG CYS 84 -4.199 -12.569 -7.995 652 H HIS 85 H HIS 85 -1.123 -10.915 -4.743 653 HA HIS 85 HA HIS 85 0.681 -12.135 -6.508 654 1HB HIS 85 1HB HIS 85 1.283 -10.222 -5.113 655 2HB HIS 85 2HB HIS 85 1.131 -11.187 -3.644 656 HD1 HIS 85 HD1 HIS 85 3.042 -13.111 -3.251 657 HD2 HIS 85 HD2 HIS 85 3.550 -10.526 -6.538 658 HE1 HIS 85 HE1 HIS 85 5.387 -13.513 -4.147 659 H GLU 86 H GLU 86 -0.158 -13.177 -3.149 660 HA GLU 86 HA GLU 86 1.286 -15.654 -3.346 661 1HB GLU 86 1HB GLU 86 -0.909 -14.601 -1.578 662 2HB GLU 86 2HB GLU 86 -0.597 -16.342 -1.600 663 1HG GLU 86 1HG GLU 86 0.713 -15.505 0.164 664 2HG GLU 86 2HG GLU 86 1.852 -15.845 -1.137 665 H PHE 87 H PHE 87 -2.111 -14.842 -4.191 666 HA PHE 87 HA PHE 87 -3.011 -17.448 -4.702 667 1HB PHE 87 1HB PHE 87 -4.337 -15.260 -4.704 668 2HB PHE 87 2HB PHE 87 -3.821 -15.052 -6.377 669 HD1 PHE 87 HD1 PHE 87 -6.177 -16.608 -4.135 670 HD2 PHE 87 HD2 PHE 87 -4.456 -16.904 -8.084 671 HE1 PHE 87 HE1 PHE 87 -8.086 -18.027 -4.875 672 HE2 PHE 87 HE2 PHE 87 -6.347 -18.320 -8.799 673 HZ PHE 87 HZ PHE 87 -8.169 -18.880 -7.200 674 H PHE 88 H PHE 88 -1.309 -15.189 -6.884 675 HA PHE 88 HA PHE 88 -1.313 -16.742 -9.242 676 1HB PHE 88 1HB PHE 88 0.447 -14.608 -8.041 677 2HB PHE 88 2HB PHE 88 1.128 -15.543 -9.371 678 HD1 PHE 88 HD1 PHE 88 -0.863 -12.673 -8.703 679 HD2 PHE 88 HD2 PHE 88 -0.233 -15.895 -11.491 680 HE1 PHE 88 HE1 PHE 88 -1.801 -11.274 -10.527 681 HE2 PHE 88 HE2 PHE 88 -1.231 -14.515 -13.309 682 HZ PHE 88 HZ PHE 88 -2.005 -12.198 -12.828 683 H GLU 89 H GLU 89 0.767 -17.026 -6.333 684 HA GLU 89 HA GLU 89 2.683 -18.722 -7.675 685 1HB GLU 89 1HB GLU 89 2.099 -18.371 -4.699 686 2HB GLU 89 2HB GLU 89 3.482 -19.233 -5.388 687 1HG GLU 89 1HG GLU 89 4.263 -17.164 -6.490 688 2HG GLU 89 2HG GLU 89 2.867 -16.274 -5.874 689 H HIS 90 H HIS 90 -0.377 -19.227 -5.931 690 HA HIS 90 HA HIS 90 -0.217 -22.178 -6.219 691 1HB HIS 90 1HB HIS 90 -1.306 -21.220 -4.273 692 2HB HIS 90 2HB HIS 90 -2.475 -20.374 -5.301 693 HD1 HIS 90 HD1 HIS 90 -3.925 -22.221 -6.916 694 HD2 HIS 90 HD2 HIS 90 -1.937 -23.610 -3.495 695 HE1 HIS 90 HE1 HIS 90 -5.010 -24.483 -6.304 696 H GLU 91 H GLU 91 0.374 -21.684 -8.541 697 HA GLU 91 HA GLU 91 -1.492 -20.746 -10.436 698 1HB GLU 91 1HB GLU 91 0.581 -22.968 -10.702 699 2HB GLU 91 2HB GLU 91 -0.229 -22.203 -12.071 700 1HG GLU 91 1HG GLU 91 1.517 -20.664 -10.081 701 2HG GLU 91 2HG GLU 91 2.108 -21.381 -11.576 702 1H SER 1 1H SER 1 -9.767 -2.039 -13.416 703 2H SER 1 2H SER 1 -10.325 -0.500 -13.580 704 3H SER 1 3H SER 1 -11.031 -1.733 -14.420 705 HA SER 1 HA SER 1 -9.035 -2.050 -15.689 706 1HB SER 1 1HB SER 1 -9.138 0.139 -16.944 707 2HB SER 1 2HB SER 1 -10.721 -0.624 -16.670 708 HG SER 1 HG SER 1 -11.176 0.842 -15.099 709 H GLU 2 H GLU 2 -8.574 1.284 -14.814 710 HA GLU 2 HA GLU 2 -5.798 1.205 -14.938 711 1HB GLU 2 1HB GLU 2 -6.391 3.313 -13.112 712 2HB GLU 2 2HB GLU 2 -5.985 3.383 -14.812 713 1HG GLU 2 1HG GLU 2 -7.980 4.621 -14.491 714 2HG GLU 2 2HG GLU 2 -8.413 3.191 -15.415 715 H LEU 3 H LEU 3 -7.696 1.203 -11.872 716 HA LEU 3 HA LEU 3 -5.542 0.750 -10.104 717 1HB LEU 3 1HB LEU 3 -8.279 -0.563 -9.894 718 2HB LEU 3 2HB LEU 3 -7.086 -0.358 -8.600 719 HG LEU 3 HG LEU 3 -8.705 1.821 -9.952 720 1HD1 LEU 3 1HD1 LEU 3 -9.848 0.430 -8.223 721 2HD1 LEU 3 2HD1 LEU 3 -8.553 0.810 -7.073 722 3HD1 LEU 3 3HD1 LEU 3 -9.604 2.099 -7.681 723 1HD2 LEU 3 1HD2 LEU 3 -7.632 3.359 -8.291 724 2HD2 LEU 3 2HD2 LEU 3 -6.503 2.064 -7.868 725 3HD2 LEU 3 3HD2 LEU 3 -6.485 2.771 -9.505 726 H GLU 4 H GLU 4 -7.336 -1.605 -12.126 727 HA GLU 4 HA GLU 4 -6.168 -3.910 -10.923 728 1HB GLU 4 1HB GLU 4 -8.262 -3.586 -12.590 729 2HB GLU 4 2HB GLU 4 -7.029 -3.928 -13.809 730 1HG GLU 4 1HG GLU 4 -7.904 -6.019 -13.317 731 2HG GLU 4 2HG GLU 4 -6.458 -6.006 -12.300 732 H LYS 5 H LYS 5 -5.295 -1.887 -13.726 733 HA LYS 5 HA LYS 5 -3.028 -3.448 -14.582 734 1HB LYS 5 1HB LYS 5 -3.587 -0.493 -14.971 735 2HB LYS 5 2HB LYS 5 -2.332 -1.432 -15.784 736 1HG LYS 5 1HG LYS 5 -5.342 -1.826 -16.056 737 2HG LYS 5 2HG LYS 5 -4.226 -1.144 -17.240 738 1HD LYS 5 1HD LYS 5 -3.023 -3.410 -17.253 739 2HD LYS 5 2HD LYS 5 -4.334 -4.028 -16.230 740 1HE LYS 5 1HE LYS 5 -4.804 -4.636 -18.505 741 2HE LYS 5 2HE LYS 5 -5.997 -3.439 -17.980 742 1HZ LYS 5 1HZ LYS 5 -5.143 -3.013 -20.178 743 2HZ LYS 5 2HZ LYS 5 -4.751 -1.778 -19.163 744 3HZ LYS 5 3HZ LYS 5 -3.606 -2.879 -19.601 745 H ALA 6 H ALA 6 -3.300 -0.575 -12.489 746 HA ALA 6 HA ALA 6 -0.617 -0.288 -11.723 747 1HB ALA 6 1HB ALA 6 -2.395 1.308 -11.172 748 2HB ALA 6 2HB ALA 6 -3.189 0.126 -10.132 749 3HB ALA 6 3HB ALA 6 -1.623 0.775 -9.661 750 H VAL 7 H VAL 7 -3.170 -2.266 -10.202 751 HA VAL 7 HA VAL 7 -1.634 -3.451 -8.162 752 HB VAL 7 HB VAL 7 -4.192 -4.109 -9.617 753 1HG1 VAL 7 1HG1 VAL 7 -3.443 -6.304 -9.210 754 2HG1 VAL 7 2HG1 VAL 7 -2.919 -5.926 -7.558 755 3HG1 VAL 7 3HG1 VAL 7 -4.645 -5.883 -7.979 756 1HG2 VAL 7 1HG2 VAL 7 -4.070 -2.280 -7.886 757 2HG2 VAL 7 2HG2 VAL 7 -5.198 -3.585 -7.480 758 3HG2 VAL 7 3HG2 VAL 7 -3.610 -3.499 -6.695 759 H VAL 8 H VAL 8 -2.384 -4.879 -11.467 760 HA VAL 8 HA VAL 8 -0.706 -7.115 -10.847 761 HB VAL 8 HB VAL 8 -0.795 -7.780 -13.138 762 1HG1 VAL 8 1HG1 VAL 8 -2.646 -8.326 -11.623 763 2HG1 VAL 8 2HG1 VAL 8 -3.496 -6.838 -12.088 764 3HG1 VAL 8 3HG1 VAL 8 -3.217 -8.115 -13.287 765 1HG2 VAL 8 1HG2 VAL 8 -2.285 -5.217 -13.681 766 2HG2 VAL 8 2HG2 VAL 8 -0.665 -5.601 -14.294 767 3HG2 VAL 8 3HG2 VAL 8 -2.067 -6.546 -14.827 768 H ALA 9 H ALA 9 0.058 -3.932 -12.272 769 HA ALA 9 HA ALA 9 2.738 -4.550 -13.015 770 1HB ALA 9 1HB ALA 9 3.180 -2.164 -12.795 771 2HB ALA 9 2HB ALA 9 1.646 -2.444 -13.646 772 3HB ALA 9 3HB ALA 9 1.645 -1.915 -11.951 773 H LEU 10 H LEU 10 1.416 -3.339 -9.860 774 HA LEU 10 HA LEU 10 3.872 -3.354 -8.434 775 1HB LEU 10 1HB LEU 10 0.958 -3.509 -7.699 776 2HB LEU 10 2HB LEU 10 2.090 -4.164 -6.522 777 HG LEU 10 HG LEU 10 3.351 -2.046 -6.500 778 1HD1 LEU 10 1HD1 LEU 10 0.992 -0.950 -8.092 779 2HD1 LEU 10 2HD1 LEU 10 2.352 -0.012 -7.449 780 3HD1 LEU 10 3HD1 LEU 10 2.624 -1.172 -8.761 781 1HD2 LEU 10 1HD2 LEU 10 0.385 -1.860 -5.842 782 2HD2 LEU 10 2HD2 LEU 10 1.657 -2.544 -4.805 783 3HD2 LEU 10 3HD2 LEU 10 1.661 -0.812 -5.186 784 H ILE 11 H ILE 11 1.429 -5.954 -8.794 785 HA ILE 11 HA ILE 11 2.812 -7.896 -7.270 786 HB ILE 11 HB ILE 11 0.811 -8.130 -9.532 787 1HG1 ILE 11 1HG1 ILE 11 0.657 -8.420 -6.488 788 2HG1 ILE 11 2HG1 ILE 11 0.013 -7.091 -7.446 789 1HG2 ILE 11 1HG2 ILE 11 0.469 -10.464 -9.019 790 2HG2 ILE 11 2HG2 ILE 11 2.146 -10.250 -9.470 791 3HG2 ILE 11 3HG2 ILE 11 1.708 -10.417 -7.757 792 1HD1 ILE 11 1HD1 ILE 11 -1.493 -8.801 -8.606 793 2HD1 ILE 11 2HD1 ILE 11 -0.989 -9.954 -7.339 794 3HD1 ILE 11 3HD1 ILE 11 -1.822 -8.457 -6.897 795 H ASP 12 H ASP 12 2.928 -7.374 -10.832 796 HA ASP 12 HA ASP 12 4.681 -9.524 -11.356 797 1HB ASP 12 1HB ASP 12 3.338 -8.375 -13.070 798 2HB ASP 12 2HB ASP 12 4.311 -6.910 -12.884 799 H VAL 13 H VAL 13 5.416 -6.028 -10.885 800 HA VAL 13 HA VAL 13 8.239 -6.275 -11.213 801 HB VAL 13 HB VAL 13 6.492 -4.254 -9.747 802 1HG1 VAL 13 1HG1 VAL 13 8.468 -2.757 -9.786 803 2HG1 VAL 13 2HG1 VAL 13 8.730 -4.145 -8.725 804 3HG1 VAL 13 3HG1 VAL 13 9.486 -4.106 -10.333 805 1HG2 VAL 13 1HG2 VAL 13 8.018 -4.104 -12.389 806 2HG2 VAL 13 2HG2 VAL 13 6.274 -4.388 -12.250 807 3HG2 VAL 13 3HG2 VAL 13 6.964 -2.856 -11.696 808 H PHE 14 H PHE 14 6.212 -6.256 -8.221 809 HA PHE 14 HA PHE 14 8.309 -6.642 -6.386 810 1HB PHE 14 1HB PHE 14 5.974 -6.105 -5.766 811 2HB PHE 14 2HB PHE 14 5.461 -7.717 -6.256 812 HD1 PHE 14 HD1 PHE 14 6.093 -9.715 -4.891 813 HD2 PHE 14 HD2 PHE 14 7.479 -5.777 -3.829 814 HE1 PHE 14 HE1 PHE 14 6.728 -10.536 -2.653 815 HE2 PHE 14 HE2 PHE 14 8.221 -6.651 -1.625 816 HZ PHE 14 HZ PHE 14 7.852 -9.014 -1.037 817 H HIS 15 H HIS 15 6.299 -9.093 -8.066 818 HA HIS 15 HA HIS 15 7.397 -11.394 -6.920 819 1HB HIS 15 1HB HIS 15 5.339 -11.331 -8.273 820 2HB HIS 15 2HB HIS 15 6.278 -11.002 -9.728 821 HD1 HIS 15 HD1 HIS 15 8.012 -13.101 -10.451 822 HD2 HIS 15 HD2 HIS 15 4.936 -13.847 -7.672 823 HE1 HIS 15 HE1 HIS 15 7.682 -15.632 -10.381 824 H GLN 16 H GLN 16 8.381 -9.721 -9.993 825 HA GLN 16 HA GLN 16 10.456 -11.535 -10.659 826 1HB GLN 16 1HB GLN 16 10.156 -8.546 -11.188 827 2HB GLN 16 2HB GLN 16 11.517 -9.508 -11.780 828 1HG GLN 16 1HG GLN 16 9.893 -11.036 -12.928 829 2HG GLN 16 2HG GLN 16 8.586 -9.928 -12.492 830 1HE2 GLN 16 1HE2 GLN 16 8.163 -8.273 -14.037 831 2HE2 GLN 16 2HE2 GLN 16 9.343 -7.794 -15.242 832 H TYR 17 H TYR 17 10.655 -8.532 -8.670 833 HA TYR 17 HA TYR 17 13.488 -8.796 -8.271 834 1HB TYR 17 1HB TYR 17 11.342 -7.140 -6.952 835 2HB TYR 17 2HB TYR 17 13.007 -7.144 -6.374 836 HD1 TYR 17 HD1 TYR 17 14.295 -5.357 -7.044 837 HD2 TYR 17 HD2 TYR 17 11.400 -6.928 -9.830 838 HE1 TYR 17 HE1 TYR 17 14.848 -3.568 -8.679 839 HE2 TYR 17 HE2 TYR 17 11.865 -5.092 -11.370 840 HH TYR 17 HH TYR 17 12.988 -3.117 -11.687 841 H SER 18 H SER 18 10.712 -9.576 -6.158 842 HA SER 18 HA SER 18 12.193 -10.692 -4.006 843 1HB SER 18 1HB SER 18 9.358 -11.322 -4.920 844 2HB SER 18 2HB SER 18 10.042 -11.550 -3.293 845 HG SER 18 HG SER 18 9.349 -9.196 -4.648 846 H GLY 19 H GLY 19 11.265 -12.048 -7.136 847 1HA GLY 19 1HA GLY 19 11.691 -14.813 -6.532 848 2HA GLY 19 2HA GLY 19 11.797 -14.018 -8.117 849 H ARG 20 H ARG 20 13.887 -12.044 -7.164 850 HA ARG 20 HA ARG 20 16.119 -13.795 -7.790 851 1HB ARG 20 1HB ARG 20 16.401 -10.908 -6.971 852 2HB ARG 20 2HB ARG 20 17.428 -11.903 -8.010 853 1HG ARG 20 1HG ARG 20 15.157 -12.003 -9.493 854 2HG ARG 20 2HG ARG 20 14.813 -10.545 -8.571 855 1HD ARG 20 1HD ARG 20 17.182 -9.724 -9.259 856 2HD ARG 20 2HD ARG 20 17.141 -11.032 -10.435 857 HE ARG 20 HE ARG 20 15.468 -9.967 -11.653 858 1HH1 ARG 20 2HH2 ARG 20 15.977 -8.179 -8.604 859 2HH1 ARG 20 1HH2 ARG 20 15.565 -6.647 -9.311 860 1HH2 ARG 20 2HH1 ARG 20 14.547 -8.022 -12.413 861 2HH2 ARG 20 1HH1 ARG 20 14.462 -6.621 -11.377 862 H GLU 21 H GLU 21 15.284 -11.704 -4.946 863 HA GLU 21 HA GLU 21 16.570 -13.741 -3.228 864 1HB GLU 21 1HB GLU 21 17.406 -10.861 -2.882 865 2HB GLU 21 2HB GLU 21 17.950 -12.308 -2.027 866 1HG GLU 21 1HG GLU 21 18.989 -13.154 -4.120 867 2HG GLU 21 2HG GLU 21 18.543 -11.639 -4.933 868 H GLY 22 H GLY 22 14.786 -14.277 -2.297 869 1HA GLY 22 1HA GLY 22 14.020 -13.851 0.048 870 2HA GLY 22 2HA GLY 22 13.273 -12.369 -0.543 871 H ASP 23 H ASP 23 13.591 -15.650 -1.835 872 HA ASP 23 HA ASP 23 12.093 -16.722 -3.236 873 1HB ASP 23 1HB ASP 23 12.730 -18.015 -1.248 874 2HB ASP 23 2HB ASP 23 11.330 -17.373 -0.369 875 H LYS 24 H LYS 24 10.966 -14.636 -3.922 876 HA LYS 24 HA LYS 24 9.075 -14.012 -4.975 877 1HB LYS 24 1HB LYS 24 7.528 -16.195 -3.532 878 2HB LYS 24 2HB LYS 24 7.052 -15.318 -4.973 879 1HG LYS 24 1HG LYS 24 9.453 -17.200 -4.826 880 2HG LYS 24 2HG LYS 24 7.838 -17.647 -5.373 881 1HD LYS 24 1HD LYS 24 7.910 -15.984 -7.166 882 2HD LYS 24 2HD LYS 24 9.527 -15.465 -6.688 883 1HE LYS 24 1HE LYS 24 8.760 -18.263 -7.648 884 2HE LYS 24 2HE LYS 24 9.569 -17.023 -8.617 885 1HZ LYS 24 1HZ LYS 24 11.125 -18.576 -7.743 886 2HZ LYS 24 2HZ LYS 24 11.401 -17.094 -7.078 887 3HZ LYS 24 3HZ LYS 24 10.659 -18.271 -6.194 888 H HIS 25 H HIS 25 8.493 -14.744 -1.536 889 HA HIS 25 HA HIS 25 6.270 -12.866 -1.331 890 1HB HIS 25 1HB HIS 25 7.788 -14.484 0.752 891 2HB HIS 25 2HB HIS 25 6.263 -13.630 1.003 892 HD1 HIS 25 HD1 HIS 25 7.618 -16.621 -1.088 893 HD2 HIS 25 HD2 HIS 25 4.061 -14.926 0.422 894 HE1 HIS 25 HE1 HIS 25 5.753 -18.320 -1.494 895 H LYS 26 H LYS 26 9.781 -12.628 -0.766 896 HA LYS 26 HA LYS 26 9.314 -10.018 0.554 897 1HB LYS 26 1HB LYS 26 11.467 -11.933 1.454 898 2HB LYS 26 2HB LYS 26 10.797 -10.539 2.310 899 1HG LYS 26 1HG LYS 26 8.575 -11.967 2.363 900 2HG LYS 26 2HG LYS 26 9.636 -13.306 1.903 901 1HD LYS 26 1HD LYS 26 10.971 -12.963 3.949 902 2HD LYS 26 2HD LYS 26 10.031 -11.519 4.351 903 1HE LYS 26 1HE LYS 26 9.276 -13.425 5.683 904 2HE LYS 26 2HE LYS 26 7.984 -12.914 4.587 905 1HZ LYS 26 1HZ LYS 26 9.827 -15.158 4.124 906 2HZ LYS 26 2HZ LYS 26 8.272 -15.291 4.653 907 3HZ LYS 26 3HZ LYS 26 8.581 -14.714 3.142 908 H LEU 27 H LEU 27 11.119 -8.563 0.549 909 HA LEU 27 HA LEU 27 13.039 -8.945 -1.742 910 1HB LEU 27 1HB LEU 27 11.808 -6.459 -0.485 911 2HB LEU 27 2HB LEU 27 13.114 -6.411 -1.668 912 HG LEU 27 HG LEU 27 10.393 -7.621 -2.245 913 1HD1 LEU 27 1HD1 LEU 27 9.953 -5.457 -3.427 914 2HD1 LEU 27 2HD1 LEU 27 10.212 -5.194 -1.691 915 3HD1 LEU 27 3HD1 LEU 27 11.514 -4.844 -2.847 916 1HD2 LEU 27 1HD2 LEU 27 11.030 -7.339 -4.581 917 2HD2 LEU 27 2HD2 LEU 27 12.554 -6.566 -4.116 918 3HD2 LEU 27 3HD2 LEU 27 12.293 -8.295 -3.781 919 H LYS 28 H LYS 28 15.069 -9.438 -0.918 920 HA LYS 28 HA LYS 28 16.130 -8.717 1.630 921 1HB LYS 28 1HB LYS 28 17.340 -9.146 -1.103 922 2HB LYS 28 2HB LYS 28 18.358 -8.654 0.250 923 1HG LYS 28 1HG LYS 28 16.574 -11.081 0.431 924 2HG LYS 28 2HG LYS 28 18.224 -11.067 -0.256 925 1HD LYS 28 1HD LYS 28 19.109 -10.141 1.899 926 2HD LYS 28 2HD LYS 28 17.492 -10.263 2.599 927 1HE LYS 28 1HE LYS 28 18.791 -12.164 3.311 928 2HE LYS 28 2HE LYS 28 17.525 -12.729 2.215 929 1HZ LYS 28 1HZ LYS 28 19.150 -12.819 0.471 930 2HZ LYS 28 2HZ LYS 28 20.329 -12.256 1.475 931 3HZ LYS 28 3HZ LYS 28 19.639 -13.726 1.753 932 H LYS 29 H LYS 29 17.723 -6.997 2.156 933 HA LYS 29 HA LYS 29 16.955 -4.383 1.419 934 1HB LYS 29 1HB LYS 29 19.093 -3.623 2.311 935 2HB LYS 29 2HB LYS 29 18.352 -4.787 3.393 936 1HG LYS 29 1HG LYS 29 19.899 -6.551 2.543 937 2HG LYS 29 2HG LYS 29 20.640 -5.358 1.449 938 1HD LYS 29 1HD LYS 29 21.185 -3.924 3.426 939 2HD LYS 29 2HD LYS 29 20.603 -5.212 4.492 940 1HE LYS 29 1HE LYS 29 22.903 -5.447 2.480 941 2HE LYS 29 2HE LYS 29 23.074 -5.228 4.229 942 1HZ LYS 29 1HZ LYS 29 21.817 -7.534 2.920 943 2HZ LYS 29 2HZ LYS 29 23.308 -7.501 3.620 944 3HZ LYS 29 3HZ LYS 29 21.960 -7.312 4.548 945 H SER 30 H SER 30 19.252 -6.522 -0.266 946 HA SER 30 HA SER 30 20.304 -4.612 -2.086 947 1HB SER 30 1HB SER 30 20.492 -6.843 -3.467 948 2HB SER 30 2HB SER 30 21.366 -6.739 -1.925 949 HG SER 30 HG SER 30 19.920 -8.665 -2.314 950 H GLU 31 H GLU 31 17.523 -6.943 -2.283 951 HA GLU 31 HA GLU 31 16.727 -6.042 -4.878 952 1HB GLU 31 1HB GLU 31 15.115 -7.529 -2.787 953 2HB GLU 31 2HB GLU 31 14.652 -7.287 -4.481 954 1HG GLU 31 1HG GLU 31 17.144 -8.751 -3.551 955 2HG GLU 31 2HG GLU 31 15.652 -9.505 -4.137 956 H LEU 32 H LEU 32 15.549 -5.105 -1.607 957 HA LEU 32 HA LEU 32 13.491 -3.450 -2.589 958 1HB LEU 32 1HB LEU 32 14.290 -4.311 -0.094 959 2HB LEU 32 2HB LEU 32 14.686 -2.582 -0.016 960 HG LEU 32 HG LEU 32 11.995 -3.844 -0.740 961 1HD1 LEU 32 1HD1 LEU 32 12.738 -2.166 1.670 962 2HD1 LEU 32 2HD1 LEU 32 11.212 -3.025 1.381 963 3HD1 LEU 32 3HD1 LEU 32 12.704 -3.948 1.664 964 1HD2 LEU 32 1HD2 LEU 32 12.137 -1.737 -1.954 965 2HD2 LEU 32 2HD2 LEU 32 11.124 -1.481 -0.529 966 3HD2 LEU 32 3HD2 LEU 32 12.818 -0.940 -0.516 967 H LYS 33 H LYS 33 16.934 -2.760 -1.801 968 HA LYS 33 HA LYS 33 16.942 0.031 -2.367 969 1HB LYS 33 1HB LYS 33 18.778 -1.028 -1.356 970 2HB LYS 33 2HB LYS 33 19.013 -2.185 -2.650 971 1HG LYS 33 1HG LYS 33 19.648 -0.212 -4.172 972 2HG LYS 33 2HG LYS 33 19.504 0.820 -2.736 973 1HD LYS 33 1HD LYS 33 21.218 -0.838 -1.654 974 2HD LYS 33 2HD LYS 33 21.455 -1.463 -3.287 975 1HE LYS 33 1HE LYS 33 22.157 0.792 -4.061 976 2HE LYS 33 2HE LYS 33 21.816 1.463 -2.457 977 1HZ LYS 33 1HZ LYS 33 23.475 -0.065 -1.579 978 2HZ LYS 33 2HZ LYS 33 23.894 -0.487 -3.118 979 3HZ LYS 33 3HZ LYS 33 24.079 1.073 -2.595 980 H GLU 34 H GLU 34 17.623 -2.751 -4.685 981 HA GLU 34 HA GLU 34 17.909 -0.829 -6.819 982 1HB GLU 34 1HB GLU 34 17.757 -2.681 -8.402 983 2HB GLU 34 2HB GLU 34 19.020 -2.872 -7.183 984 1HG GLU 34 1HG GLU 34 17.872 -4.579 -6.063 985 2HG GLU 34 2HG GLU 34 16.324 -4.223 -6.841 986 H LEU 35 H LEU 35 15.143 -2.745 -5.682 987 HA LEU 35 HA LEU 35 13.183 -2.060 -7.575 988 1HB LEU 35 1HB LEU 35 12.913 -3.678 -5.761 989 2HB LEU 35 2HB LEU 35 13.087 -2.409 -4.567 990 HG LEU 35 HG LEU 35 10.848 -3.167 -4.668 991 1HD1 LEU 35 1HD1 LEU 35 11.252 -0.690 -4.324 992 2HD1 LEU 35 2HD1 LEU 35 10.681 -0.451 -5.997 993 3HD1 LEU 35 3HD1 LEU 35 9.625 -1.160 -4.790 994 1HD2 LEU 35 1HD2 LEU 35 9.409 -3.091 -6.599 995 2HD2 LEU 35 2HD2 LEU 35 10.714 -2.398 -7.599 996 3HD2 LEU 35 3HD2 LEU 35 10.849 -4.052 -6.968 997 H ILE 36 H ILE 36 14.093 -0.216 -4.564 998 HA ILE 36 HA ILE 36 12.365 1.954 -5.195 999 HB ILE 36 HB ILE 36 14.784 1.769 -3.375 1000 1HG1 ILE 36 1HG1 ILE 36 11.792 2.038 -2.803 1001 2HG1 ILE 36 2HG1 ILE 36 12.631 0.492 -2.848 1002 1HG2 ILE 36 1HG2 ILE 36 12.807 4.078 -3.689 1003 2HG2 ILE 36 2HG2 ILE 36 14.038 3.946 -2.432 1004 3HG2 ILE 36 3HG2 ILE 36 14.529 4.138 -4.107 1005 1HD1 ILE 36 1HD1 ILE 36 13.237 2.730 -0.866 1006 2HD1 ILE 36 2HD1 ILE 36 12.367 1.239 -0.553 1007 3HD1 ILE 36 3HD1 ILE 36 14.090 1.175 -0.988 1008 H ASN 37 H ASN 37 15.904 1.627 -5.747 1009 HA ASN 37 HA ASN 37 16.285 4.206 -6.878 1010 1HB ASN 37 1HB ASN 37 17.756 1.581 -7.361 1011 2HB ASN 37 2HB ASN 37 18.212 3.104 -8.148 1012 1HD2 ASN 37 2HD2 ASN 37 17.840 1.596 -4.926 1013 2HD2 ASN 37 1HD2 ASN 37 19.036 2.628 -4.148 1014 H ASN 38 H ASN 38 15.424 1.115 -8.488 1015 HA ASN 38 HA ASN 38 15.466 2.196 -11.141 1016 1HB ASN 38 1HB ASN 38 14.133 -0.289 -9.954 1017 2HB ASN 38 2HB ASN 38 14.274 0.079 -11.683 1018 1HD2 ASN 38 1HD2 ASN 38 15.227 -2.310 -10.893 1019 2HD2 ASN 38 2HD2 ASN 38 16.987 -2.289 -10.916 1020 H GLU 39 H GLU 39 12.759 1.273 -8.914 1021 HA GLU 39 HA GLU 39 10.845 2.176 -10.906 1022 1HB GLU 39 1HB GLU 39 10.517 1.086 -8.092 1023 2HB GLU 39 2HB GLU 39 9.188 1.495 -9.164 1024 1HG GLU 39 1HG GLU 39 11.371 -0.527 -9.872 1025 2HG GLU 39 2HG GLU 39 9.801 -0.940 -9.185 1026 H LEU 40 H LEU 40 11.904 3.371 -7.663 1027 HA LEU 40 HA LEU 40 10.049 5.690 -7.934 1028 1HB LEU 40 1HB LEU 40 11.717 4.657 -5.621 1029 2HB LEU 40 2HB LEU 40 11.026 6.274 -5.657 1030 HG LEU 40 HG LEU 40 8.768 5.370 -5.930 1031 1HD1 LEU 40 1HD1 LEU 40 9.260 3.046 -6.705 1032 2HD1 LEU 40 2HD1 LEU 40 10.112 2.731 -5.167 1033 3HD1 LEU 40 3HD1 LEU 40 8.365 3.025 -5.181 1034 1HD2 LEU 40 1HD2 LEU 40 8.612 4.687 -3.516 1035 2HD2 LEU 40 2HD2 LEU 40 10.385 4.617 -3.462 1036 3HD2 LEU 40 3HD2 LEU 40 9.561 6.155 -3.784 1037 H SER 41 H SER 41 12.003 5.510 -9.950 1038 HA SER 41 HA SER 41 14.522 6.655 -9.304 1039 1HB SER 41 1HB SER 41 14.254 7.080 -11.960 1040 2HB SER 41 2HB SER 41 14.580 5.483 -11.269 1041 HG SER 41 HG SER 41 12.692 4.817 -11.839 1042 H HIS 42 H HIS 42 11.396 8.047 -9.995 1043 HA HIS 42 HA HIS 42 12.542 10.801 -10.192 1044 1HB HIS 42 1HB HIS 42 9.700 9.892 -10.764 1045 2HB HIS 42 2HB HIS 42 10.462 11.428 -11.182 1046 HD1 HIS 42 HD1 HIS 42 10.230 7.796 -12.349 1047 HD2 HIS 42 HD2 HIS 42 12.361 11.325 -13.212 1048 HE1 HIS 42 HE1 HIS 42 11.489 7.379 -14.526 1049 H PHE 43 H PHE 43 10.135 8.785 -8.530 1050 HA PHE 43 HA PHE 43 9.128 10.693 -6.725 1051 1HB PHE 43 1HB PHE 43 9.190 7.708 -6.894 1052 2HB PHE 43 2HB PHE 43 8.975 8.355 -5.290 1053 HD1 PHE 43 HD1 PHE 43 7.630 9.405 -8.682 1054 HD2 PHE 43 HD2 PHE 43 6.768 8.315 -4.606 1055 HE1 PHE 43 HE1 PHE 43 5.200 9.585 -9.139 1056 HE2 PHE 43 HE2 PHE 43 4.336 8.467 -5.061 1057 HZ PHE 43 HZ PHE 43 3.556 9.014 -7.380 1058 H LEU 44 H LEU 44 12.000 8.536 -6.339 1059 HA LEU 44 HA LEU 44 12.938 10.316 -4.135 1060 1HB LEU 44 1HB LEU 44 12.760 7.310 -4.329 1061 2HB LEU 44 2HB LEU 44 14.255 7.983 -3.703 1062 HG LEU 44 HG LEU 44 13.106 9.193 -1.970 1063 1HD1 LEU 44 1HD1 LEU 44 10.560 8.091 -3.151 1064 2HD1 LEU 44 2HD1 LEU 44 10.687 8.532 -1.433 1065 3HD1 LEU 44 3HD1 LEU 44 10.966 9.754 -2.658 1066 1HD2 LEU 44 1HD2 LEU 44 12.294 6.253 -2.072 1067 2HD2 LEU 44 2HD2 LEU 44 13.892 6.859 -1.590 1068 3HD2 LEU 44 3HD2 LEU 44 12.473 7.232 -0.600 1069 H GLU 45 H GLU 45 15.301 10.374 -4.069 1070 HA GLU 45 HA GLU 45 16.570 10.402 -6.732 1071 1HB GLU 45 1HB GLU 45 17.724 10.864 -3.951 1072 2HB GLU 45 2HB GLU 45 18.546 11.214 -5.468 1073 1HG GLU 45 1HG GLU 45 16.012 12.617 -4.476 1074 2HG GLU 45 2HG GLU 45 17.670 13.213 -4.321 1075 H GLU 46 H GLU 46 18.850 9.247 -6.747 1076 HA GLU 46 HA GLU 46 18.556 6.473 -6.264 1077 1HB GLU 46 1HB GLU 46 20.754 6.219 -6.994 1078 2HB GLU 46 2HB GLU 46 20.120 7.591 -7.916 1079 1HG GLU 46 1HG GLU 46 21.174 9.093 -6.111 1080 2HG GLU 46 2HG GLU 46 21.878 7.615 -5.447 1081 H ILE 47 H ILE 47 19.276 5.223 -4.633 1082 HA ILE 47 HA ILE 47 19.269 6.570 -2.008 1083 HB ILE 47 HB ILE 47 19.409 3.581 -2.387 1084 1HG1 ILE 47 1HG1 ILE 47 17.437 4.566 -3.711 1085 2HG1 ILE 47 2HG1 ILE 47 17.060 3.376 -2.457 1086 1HG2 ILE 47 1HG2 ILE 47 19.844 4.463 -0.133 1087 2HG2 ILE 47 2HG2 ILE 47 18.365 5.407 -0.164 1088 3HG2 ILE 47 3HG2 ILE 47 18.266 3.638 -0.170 1089 1HD1 ILE 47 1HD1 ILE 47 15.615 5.498 -2.610 1090 2HD1 ILE 47 2HD1 ILE 47 16.175 4.964 -1.012 1091 3HD1 ILE 47 3HD1 ILE 47 16.955 6.344 -1.847 1092 H LYS 48 H LYS 48 21.332 4.225 -3.691 1093 HA LYS 48 HA LYS 48 23.509 3.796 -3.728 1094 1HB LYS 48 1HB LYS 48 23.625 6.145 -4.264 1095 2HB LYS 48 2HB LYS 48 23.783 6.581 -2.547 1096 1HG LYS 48 1HG LYS 48 25.938 5.592 -2.373 1097 2HG LYS 48 2HG LYS 48 25.763 4.746 -3.918 1098 1HD LYS 48 1HD LYS 48 27.268 6.676 -4.048 1099 2HD LYS 48 2HD LYS 48 25.917 6.804 -5.177 1100 1HE LYS 48 1HE LYS 48 25.885 8.202 -2.458 1101 2HE LYS 48 2HE LYS 48 26.652 8.914 -3.886 1102 1HZ LYS 48 1HZ LYS 48 24.547 8.712 -5.039 1103 2HZ LYS 48 2HZ LYS 48 23.819 8.225 -3.647 1104 3HZ LYS 48 3HZ LYS 48 24.485 9.722 -3.734 1105 H GLU 49 H GLU 49 23.056 5.407 -0.537 1106 HA GLU 49 HA GLU 49 25.271 4.003 0.611 1107 1HB GLU 49 1HB GLU 49 23.022 5.573 1.926 1108 2HB GLU 49 2HB GLU 49 24.524 5.059 2.716 1109 1HG GLU 49 1HG GLU 49 25.826 6.408 1.063 1110 2HG GLU 49 2HG GLU 49 24.308 6.976 0.343 1111 H GLN 50 H GLN 50 24.993 1.775 0.515 1112 HA GLN 50 HA GLN 50 23.020 0.050 0.922 1113 1HB GLN 50 1HB GLN 50 25.412 -0.518 0.595 1114 2HB GLN 50 2HB GLN 50 25.652 -0.332 2.341 1115 1HG GLN 50 1HG GLN 50 23.810 -2.091 2.669 1116 2HG GLN 50 2HG GLN 50 23.770 -2.293 0.913 1117 1HE2 GLN 50 1HE2 GLN 50 26.104 -2.303 3.702 1118 2HE2 GLN 50 2HE2 GLN 50 27.058 -3.634 3.053 1119 H GLU 51 H GLU 51 24.752 1.501 3.734 1120 HA GLU 51 HA GLU 51 23.229 0.115 5.690 1121 1HB GLU 51 1HB GLU 51 24.636 2.785 6.072 1122 2HB GLU 51 2HB GLU 51 24.235 1.578 7.301 1123 1HG GLU 51 1HG GLU 51 26.316 1.329 5.079 1124 2HG GLU 51 2HG GLU 51 26.580 1.367 6.817 1125 H VAL 52 H VAL 52 22.514 3.105 3.930 1126 HA VAL 52 HA VAL 52 20.382 3.884 5.777 1127 HB VAL 52 HB VAL 52 21.018 4.913 2.988 1128 1HG1 VAL 52 1HG1 VAL 52 19.700 6.883 3.797 1129 2HG1 VAL 52 2HG1 VAL 52 18.713 5.425 3.593 1130 3HG1 VAL 52 3HG1 VAL 52 19.212 5.945 5.218 1131 1HG2 VAL 52 1HG2 VAL 52 22.016 6.831 4.244 1132 2HG2 VAL 52 2HG2 VAL 52 21.749 5.966 5.767 1133 3HG2 VAL 52 3HG2 VAL 52 22.895 5.332 4.570 1134 H VAL 53 H VAL 53 20.701 2.180 2.604 1135 HA VAL 53 HA VAL 53 17.926 1.791 2.226 1136 HB VAL 53 HB VAL 53 18.349 0.557 0.511 1137 1HG1 VAL 53 1HG1 VAL 53 20.375 0.990 -0.606 1138 2HG1 VAL 53 2HG1 VAL 53 20.064 2.377 0.433 1139 3HG1 VAL 53 3HG1 VAL 53 21.252 1.172 0.912 1140 1HG2 VAL 53 1HG2 VAL 53 18.736 -1.551 1.470 1141 2HG2 VAL 53 2HG2 VAL 53 20.048 -1.310 0.314 1142 3HG2 VAL 53 3HG2 VAL 53 20.377 -1.140 2.010 1143 H ASP 54 H ASP 54 20.353 -0.192 3.944 1144 HA ASP 54 HA ASP 54 18.705 -2.185 4.983 1145 1HB ASP 54 1HB ASP 54 21.158 -2.199 5.185 1146 2HB ASP 54 2HB ASP 54 21.087 -0.874 6.352 1147 H LYS 55 H LYS 55 19.451 1.069 6.477 1148 HA LYS 55 HA LYS 55 17.808 0.638 8.718 1149 1HB LYS 55 1HB LYS 55 19.414 2.442 8.560 1150 2HB LYS 55 2HB LYS 55 18.446 3.285 7.346 1151 1HG LYS 55 1HG LYS 55 17.157 2.543 9.986 1152 2HG LYS 55 2HG LYS 55 18.332 3.868 9.957 1153 1HD LYS 55 1HD LYS 55 17.008 5.012 8.179 1154 2HD LYS 55 2HD LYS 55 15.755 3.772 8.309 1155 1HE LYS 55 1HE LYS 55 16.656 5.621 10.555 1156 2HE LYS 55 2HE LYS 55 15.168 5.760 9.607 1157 1HZ LYS 55 1HZ LYS 55 15.866 3.535 11.387 1158 2HZ LYS 55 2HZ LYS 55 14.741 4.703 11.668 1159 3HZ LYS 55 3HZ LYS 55 14.507 3.606 10.459 1160 H VAL 56 H VAL 56 16.869 2.227 5.572 1161 HA VAL 56 HA VAL 56 14.219 2.724 6.574 1162 HB VAL 56 HB VAL 56 13.524 3.293 4.351 1163 1HG1 VAL 56 1HG1 VAL 56 14.718 4.935 5.739 1164 2HG1 VAL 56 2HG1 VAL 56 16.265 4.439 5.016 1165 3HG1 VAL 56 3HG1 VAL 56 15.009 5.191 4.011 1166 1HG2 VAL 56 1HG2 VAL 56 16.258 2.405 3.423 1167 2HG2 VAL 56 2HG2 VAL 56 14.718 1.646 2.973 1168 3HG2 VAL 56 3HG2 VAL 56 15.082 3.295 2.445 1169 H MET 57 H MET 57 15.553 -0.048 4.689 1170 HA MET 57 HA MET 57 12.917 -1.207 4.468 1171 1HB MET 57 1HB MET 57 13.862 -3.019 3.477 1172 2HB MET 57 2HB MET 57 14.825 -1.645 2.951 1173 1HG MET 57 1HG MET 57 16.459 -3.203 3.350 1174 2HG MET 57 2HG MET 57 16.435 -2.347 4.876 1175 1HE MET 57 1HE MET 57 15.584 -5.637 2.934 1176 2HE MET 57 2HE MET 57 14.676 -6.551 4.161 1177 3HE MET 57 3HE MET 57 13.969 -5.132 3.404 1178 H GLU 58 H GLU 58 15.604 -1.656 6.795 1179 HA GLU 58 HA GLU 58 14.539 -3.635 8.443 1180 1HB GLU 58 1HB GLU 58 16.801 -2.837 8.694 1181 2HB GLU 58 2HB GLU 58 16.240 -1.213 9.147 1182 1HG GLU 58 1HG GLU 58 15.287 -2.066 11.227 1183 2HG GLU 58 2HG GLU 58 15.649 -3.725 10.737 1184 H THR 59 H THR 59 14.026 -0.126 8.496 1185 HA THR 59 HA THR 59 12.352 0.113 10.723 1186 HB THR 59 HB THR 59 12.496 1.653 8.110 1187 HG1 THR 59 HG1 THR 59 14.292 1.732 9.373 1188 1HG2 THR 59 1HG2 THR 59 11.380 3.525 9.236 1189 2HG2 THR 59 2HG2 THR 59 10.292 2.178 8.912 1190 3HG2 THR 59 3HG2 THR 59 10.913 2.435 10.567 1191 H LEU 60 H LEU 60 11.516 -1.291 7.555 1192 HA LEU 60 HA LEU 60 8.679 -1.602 8.485 1193 1HB LEU 60 1HB LEU 60 9.861 -1.753 5.684 1194 2HB LEU 60 2HB LEU 60 8.213 -2.186 6.134 1195 HG LEU 60 HG LEU 60 7.952 -0.152 5.188 1196 1HD1 LEU 60 1HD1 LEU 60 8.056 0.557 8.141 1197 2HD1 LEU 60 2HD1 LEU 60 7.024 1.254 6.887 1198 3HD1 LEU 60 3HD1 LEU 60 6.779 -0.427 7.379 1199 1HD2 LEU 60 1HD2 LEU 60 10.210 1.047 6.826 1200 2HD2 LEU 60 2HD2 LEU 60 10.271 0.612 5.106 1201 3HD2 LEU 60 3HD2 LEU 60 9.176 1.890 5.662 1202 H ASP 61 H ASP 61 11.567 -3.292 8.601 1203 HA ASP 61 HA ASP 61 10.629 -5.754 7.405 1204 1HB ASP 61 1HB ASP 61 13.004 -5.074 7.399 1205 2HB ASP 61 2HB ASP 61 13.044 -5.241 9.162 1206 H SER 62 H SER 62 8.593 -5.683 8.731 1207 HA SER 62 HA SER 62 8.334 -6.487 11.392 1208 1HB SER 62 1HB SER 62 6.227 -7.541 10.652 1209 2HB SER 62 2HB SER 62 6.457 -5.970 9.852 1210 HG SER 62 HG SER 62 5.881 -7.452 8.298 1211 H ASP 63 H ASP 63 9.278 -8.384 8.570 1212 HA ASP 63 HA ASP 63 9.110 -10.964 9.780 1213 1HB ASP 63 1HB ASP 63 10.907 -10.118 7.462 1214 2HB ASP 63 2HB ASP 63 10.308 -11.735 7.821 1215 H GLY 64 H GLY 64 11.447 -8.425 10.206 1216 1HA GLY 64 1HA GLY 64 13.579 -8.308 10.990 1217 2HA GLY 64 2HA GLY 64 13.047 -9.573 12.111 1218 H ASP 65 H ASP 65 13.439 -9.797 8.571 1219 HA ASP 65 HA ASP 65 15.304 -12.108 8.983 1220 1HB ASP 65 1HB ASP 65 12.936 -12.633 8.331 1221 2HB ASP 65 2HB ASP 65 13.175 -11.709 6.840 1222 H GLY 66 H GLY 66 15.295 -8.950 7.920 1223 1HA GLY 66 1HA GLY 66 16.808 -7.803 6.691 1224 2HA GLY 66 2HA GLY 66 17.682 -9.296 6.305 1225 H GLU 67 H GLU 67 14.497 -9.883 5.514 1226 HA GLU 67 HA GLU 67 14.460 -8.492 2.964 1227 1HB GLU 67 1HB GLU 67 13.361 -10.563 1.988 1228 2HB GLU 67 2HB GLU 67 15.094 -10.674 2.287 1229 1HG GLU 67 1HG GLU 67 14.732 -11.923 4.362 1230 2HG GLU 67 2HG GLU 67 12.978 -11.825 4.139 1231 H CYS 68 H CYS 68 12.599 -7.471 2.600 1232 HA CYS 68 HA CYS 68 10.607 -7.429 4.814 1233 1HB CYS 68 1HB CYS 68 11.366 -5.568 2.534 1234 2HB CYS 68 2HB CYS 68 9.801 -5.404 3.356 1235 HG CYS 68 HG CYS 68 11.427 -3.663 4.377 1236 H ASP 69 H ASP 69 8.611 -8.369 4.600 1237 HA ASP 69 HA ASP 69 7.969 -9.907 2.311 1238 1HB ASP 69 1HB ASP 69 7.230 -10.469 4.568 1239 2HB ASP 69 2HB ASP 69 6.228 -9.001 4.636 1240 H PHE 70 H PHE 70 6.109 -9.734 0.916 1241 HA PHE 70 HA PHE 70 5.664 -7.449 -0.511 1242 1HB PHE 70 1HB PHE 70 4.837 -9.740 -0.984 1243 2HB PHE 70 2HB PHE 70 3.523 -9.530 0.133 1244 HD1 PHE 70 HD1 PHE 70 2.182 -7.015 -0.485 1245 HD2 PHE 70 HD2 PHE 70 4.140 -9.744 -3.178 1246 HE1 PHE 70 HE1 PHE 70 1.247 -5.796 -2.394 1247 HE2 PHE 70 HE2 PHE 70 3.251 -8.476 -5.097 1248 HZ PHE 70 HZ PHE 70 1.843 -6.461 -4.731 1249 H GLN 71 H GLN 71 3.834 -8.365 2.463 1250 HA GLN 71 HA GLN 71 2.076 -6.164 2.596 1251 1HB GLN 71 1HB GLN 71 3.567 -7.720 4.749 1252 2HB GLN 71 2HB GLN 71 2.346 -6.507 5.137 1253 1HG GLN 71 1HG GLN 71 1.715 -8.841 3.293 1254 2HG GLN 71 2HG GLN 71 1.625 -8.965 5.049 1255 1HE2 GLN 71 2HE2 GLN 71 0.042 -7.500 2.192 1256 2HE2 GLN 71 1HE2 GLN 71 -1.308 -6.852 3.122 1257 H GLU 72 H GLU 72 5.500 -6.359 3.630 1258 HA GLU 72 HA GLU 72 5.413 -3.742 4.914 1259 1HB GLU 72 1HB GLU 72 7.761 -5.566 4.237 1260 2HB GLU 72 2HB GLU 72 7.786 -4.197 5.347 1261 1HG GLU 72 1HG GLU 72 6.357 -6.865 5.685 1262 2HG GLU 72 2HG GLU 72 7.642 -6.188 6.664 1263 H PHE 73 H PHE 73 6.670 -5.111 1.905 1264 HA PHE 73 HA PHE 73 7.789 -2.743 0.749 1265 1HB PHE 73 1HB PHE 73 8.180 -4.611 -0.503 1266 2HB PHE 73 2HB PHE 73 6.605 -5.314 -0.216 1267 HD1 PHE 73 HD1 PHE 73 4.768 -5.006 -1.775 1268 HD2 PHE 73 HD2 PHE 73 8.454 -2.804 -2.276 1269 HE1 PHE 73 HE1 PHE 73 4.100 -4.400 -4.076 1270 HE2 PHE 73 HE2 PHE 73 7.787 -2.281 -4.621 1271 HZ PHE 73 HZ PHE 73 5.644 -3.048 -5.514 1272 H MET 74 H MET 74 4.435 -4.038 0.680 1273 HA MET 74 HA MET 74 3.410 -1.843 -0.735 1274 1HB MET 74 1HB MET 74 2.457 -4.290 -0.156 1275 2HB MET 74 2HB MET 74 1.534 -3.360 1.033 1276 1HG MET 74 1HG MET 74 1.751 -2.805 -1.972 1277 2HG MET 74 2HG MET 74 0.453 -3.695 -1.201 1278 1HE MET 74 1HE MET 74 -1.425 -0.529 -2.316 1279 2HE MET 74 2HE MET 74 -0.049 -1.248 -3.190 1280 3HE MET 74 3HE MET 74 -1.249 -2.303 -2.404 1281 H ALA 75 H ALA 75 3.721 -2.395 2.752 1282 HA ALA 75 HA ALA 75 2.395 -0.035 3.630 1283 1HB ALA 75 1HB ALA 75 4.804 -1.366 4.929 1284 2HB ALA 75 2HB ALA 75 3.649 -0.265 5.692 1285 3HB ALA 75 3HB ALA 75 3.111 -1.863 5.139 1286 H PHE 76 H PHE 76 5.810 -0.539 2.620 1287 HA PHE 76 HA PHE 76 6.675 2.154 3.144 1288 1HB PHE 76 1HB PHE 76 8.331 0.484 2.866 1289 2HB PHE 76 2HB PHE 76 7.726 0.039 1.276 1290 HD1 PHE 76 HD1 PHE 76 9.581 2.709 3.162 1291 HD2 PHE 76 HD2 PHE 76 8.252 1.249 -0.700 1292 HE1 PHE 76 HE1 PHE 76 11.092 4.300 2.005 1293 HE2 PHE 76 HE2 PHE 76 9.738 2.864 -1.824 1294 HZ PHE 76 HZ PHE 76 11.166 4.378 -0.501 1295 H VAL 77 H VAL 77 5.502 0.532 0.157 1296 HA VAL 77 HA VAL 77 5.361 2.791 -1.536 1297 HB VAL 77 HB VAL 77 3.699 0.273 -1.322 1298 1HG1 VAL 77 1HG1 VAL 77 3.545 2.400 -3.506 1299 2HG1 VAL 77 2HG1 VAL 77 2.865 0.768 -3.635 1300 3HG1 VAL 77 3HG1 VAL 77 2.221 1.886 -2.436 1301 1HG2 VAL 77 1HG2 VAL 77 6.096 0.043 -2.017 1302 2HG2 VAL 77 2HG2 VAL 77 4.971 -0.418 -3.301 1303 3HG2 VAL 77 3HG2 VAL 77 5.788 1.158 -3.360 1304 H ALA 78 H ALA 78 2.972 1.599 0.884 1305 HA ALA 78 HA ALA 78 0.964 3.454 0.305 1306 1HB ALA 78 1HB ALA 78 1.515 2.181 3.003 1307 2HB ALA 78 2HB ALA 78 0.004 2.922 2.459 1308 3HB ALA 78 3HB ALA 78 0.588 1.452 1.667 1309 H MET 79 H MET 79 3.620 3.791 2.777 1310 HA MET 79 HA MET 79 2.706 6.386 3.586 1311 1HB MET 79 1HB MET 79 4.944 6.806 4.475 1312 2HB MET 79 2HB MET 79 4.233 5.280 5.023 1313 1HG MET 79 1HG MET 79 5.678 4.029 3.580 1314 2HG MET 79 2HG MET 79 6.283 5.503 2.786 1315 1HE MET 79 1HE MET 79 7.560 4.091 6.933 1316 2HE MET 79 2HE MET 79 5.900 4.685 6.660 1317 3HE MET 79 3HE MET 79 6.467 3.211 5.830 1318 H ILE 80 H ILE 80 5.027 5.451 1.037 1319 HA ILE 80 HA ILE 80 5.829 8.068 0.236 1320 HB ILE 80 HB ILE 80 5.492 5.485 -1.338 1321 1HG1 ILE 80 1HG1 ILE 80 7.106 5.528 0.701 1322 2HG1 ILE 80 2HG1 ILE 80 7.628 4.850 -0.838 1323 1HG2 ILE 80 1HG2 ILE 80 5.576 7.275 -2.919 1324 2HG2 ILE 80 2HG2 ILE 80 6.968 8.022 -2.104 1325 3HG2 ILE 80 3HG2 ILE 80 7.136 6.453 -2.928 1326 1HD1 ILE 80 1HD1 ILE 80 8.281 7.671 0.081 1327 2HD1 ILE 80 2HD1 ILE 80 9.307 6.241 0.340 1328 3HD1 ILE 80 3HD1 ILE 80 8.968 6.788 -1.312 1329 H THR 81 H THR 81 3.291 5.929 -0.964 1330 HA THR 81 HA THR 81 2.166 7.662 -2.885 1331 HB THR 81 HB THR 81 1.024 5.263 -1.383 1332 HG1 THR 81 HG1 THR 81 2.806 4.705 -2.510 1333 1HG2 THR 81 1HG2 THR 81 -0.885 6.049 -2.343 1334 2HG2 THR 81 2HG2 THR 81 -0.071 6.839 -3.709 1335 3HG2 THR 81 3HG2 THR 81 -0.266 5.071 -3.670 1336 H THR 82 H THR 82 1.487 7.249 0.636 1337 HA THR 82 HA THR 82 -0.833 8.921 0.727 1338 HB THR 82 HB THR 82 1.276 8.472 2.879 1339 HG1 THR 82 HG1 THR 82 0.148 6.589 2.177 1340 1HG2 THR 82 1HG2 THR 82 -1.572 9.536 3.100 1341 2HG2 THR 82 2HG2 THR 82 -0.442 9.247 4.440 1342 3HG2 THR 82 3HG2 THR 82 -0.101 10.513 3.284 1343 H ALA 83 H ALA 83 2.705 9.690 1.147 1344 HA ALA 83 HA ALA 83 2.269 12.473 1.588 1345 1HB ALA 83 1HB ALA 83 4.660 11.113 0.270 1346 2HB ALA 83 2HB ALA 83 4.626 12.751 0.949 1347 3HB ALA 83 3HB ALA 83 4.418 11.348 2.015 1348 H CYS 84 H CYS 84 2.893 10.669 -1.459 1349 HA CYS 84 HA CYS 84 2.721 12.939 -3.169 1350 1HB CYS 84 1HB CYS 84 3.718 10.850 -3.902 1351 2HB CYS 84 2HB CYS 84 2.129 10.034 -3.836 1352 HG CYS 84 HG CYS 84 2.896 10.692 -6.319 1353 H HIS 85 H HIS 85 0.161 10.700 -2.038 1354 HA HIS 85 HA HIS 85 -1.998 11.765 -3.528 1355 1HB HIS 85 1HB HIS 85 -2.193 9.700 -2.302 1356 2HB HIS 85 2HB HIS 85 -1.913 10.502 -0.765 1357 HD1 HIS 85 HD1 HIS 85 -4.670 10.335 -3.477 1358 HD2 HIS 85 HD2 HIS 85 -3.954 11.492 0.501 1359 HE1 HIS 85 HE1 HIS 85 -6.935 10.922 -2.469 1360 H GLU 86 H GLU 86 -0.985 12.573 -0.160 1361 HA GLU 86 HA GLU 86 -2.802 14.666 0.268 1362 1HB GLU 86 1HB GLU 86 0.031 14.244 1.298 1363 2HB GLU 86 2HB GLU 86 -1.067 15.488 1.921 1364 1HG GLU 86 1HG GLU 86 -2.704 13.828 2.607 1365 2HG GLU 86 2HG GLU 86 -1.780 12.511 1.890 1366 H PHE 87 H PHE 87 0.503 14.840 -1.120 1367 HA PHE 87 HA PHE 87 0.601 17.592 -1.752 1368 1HB PHE 87 1HB PHE 87 2.569 16.465 -2.173 1369 2HB PHE 87 2HB PHE 87 1.779 15.093 -2.893 1370 HD1 PHE 87 HD1 PHE 87 1.997 18.785 -3.690 1371 HD2 PHE 87 HD2 PHE 87 2.145 14.730 -5.160 1372 HE1 PHE 87 HE1 PHE 87 2.288 19.626 -5.997 1373 HE2 PHE 87 HE2 PHE 87 2.416 15.583 -7.464 1374 HZ PHE 87 HZ PHE 87 2.462 18.033 -7.893 1375 H PHE 88 H PHE 88 -0.601 14.944 -3.811 1376 HA PHE 88 HA PHE 88 -1.381 16.603 -5.954 1377 1HB PHE 88 1HB PHE 88 -0.847 14.209 -5.950 1378 2HB PHE 88 2HB PHE 88 -2.394 13.854 -5.156 1379 HD1 PHE 88 HD1 PHE 88 -4.537 14.052 -6.395 1380 HD2 PHE 88 HD2 PHE 88 -0.759 14.816 -8.332 1381 HE1 PHE 88 HE1 PHE 88 -5.576 13.611 -8.603 1382 HE2 PHE 88 HE2 PHE 88 -1.812 14.396 -10.537 1383 HZ PHE 88 HZ PHE 88 -4.220 13.771 -10.674 1384 H GLU 89 H GLU 89 -3.250 15.481 -3.110 1385 HA GLU 89 HA GLU 89 -5.767 16.530 -4.079 1386 1HB GLU 89 1HB GLU 89 -4.928 15.988 -1.197 1387 2HB GLU 89 2HB GLU 89 -6.562 16.273 -1.799 1388 1HG GLU 89 1HG GLU 89 -4.837 13.821 -2.161 1389 2HG GLU 89 2HG GLU 89 -6.444 13.951 -1.474 1390 H HIS 90 H HIS 90 -3.171 17.857 -1.958 1391 HA HIS 90 HA HIS 90 -4.525 20.543 -2.159 1392 1HB HIS 90 1HB HIS 90 -4.690 19.513 0.081 1393 2HB HIS 90 2HB HIS 90 -2.933 19.352 0.137 1394 HD1 HIS 90 HD1 HIS 90 -1.923 21.257 1.576 1395 HD2 HIS 90 HD2 HIS 90 -5.397 22.358 -0.542 1396 HE1 HIS 90 HE1 HIS 90 -2.388 23.698 2.142 1397 H GLU 91 H GLU 91 -3.177 20.457 -4.246 1398 HA GLU 91 HA GLU 91 -0.324 20.759 -3.986 1399 1HB GLU 91 1HB GLU 91 -2.189 21.660 -6.223 1400 2HB GLU 91 2HB GLU 91 -0.418 21.622 -6.290 1401 1HG GLU 91 1HG GLU 91 -0.492 19.152 -5.803 1402 2HG GLU 91 2HG GLU 91 -2.253 19.216 -5.921 1403 1H LYS 62 H1 LYS 62 -28.988 -21.228 6.328 1404 2H LYS 62 H2 LYS 62 -29.495 -20.407 4.994 1405 3H LYS 62 H3 LYS 62 -30.436 -20.446 6.344 1406 HA LYS 62 HA LYS 62 -28.789 -19.265 7.602 1407 1HB LYS 62 1HB LYS 62 -27.420 -18.952 4.901 1408 2HB LYS 62 2HB LYS 62 -26.949 -18.168 6.420 1409 1HG LYS 62 1HG LYS 62 -26.622 -20.507 7.391 1410 2HG LYS 62 2HG LYS 62 -26.816 -21.140 5.747 1411 1HD LYS 62 1HD LYS 62 -24.702 -19.144 6.686 1412 2HD LYS 62 2HD LYS 62 -24.439 -20.858 6.355 1413 1HE LYS 62 1HE LYS 62 -25.014 -20.508 3.970 1414 2HE LYS 62 2HE LYS 62 -25.284 -18.779 4.272 1415 1HZ LYS 62 1HZ LYS 62 -23.051 -18.505 4.846 1416 2HZ LYS 62 2HZ LYS 62 -22.732 -20.126 4.729 1417 3HZ LYS 62 3HZ LYS 62 -23.124 -19.254 3.387 1418 H ARG 63 H ARG 63 -29.458 -18.398 4.192 1419 HA ARG 63 HA ARG 63 -29.946 -15.647 4.869 1420 1HB ARG 63 1HB ARG 63 -30.306 -17.188 2.266 1421 2HB ARG 63 2HB ARG 63 -30.384 -15.438 2.417 1422 1HG ARG 63 1HG ARG 63 -27.924 -17.183 2.928 1423 2HG ARG 63 2HG ARG 63 -28.226 -16.140 1.538 1424 1HD ARG 63 1HD ARG 63 -27.679 -15.317 4.396 1425 2HD ARG 63 2HD ARG 63 -26.711 -14.975 2.971 1426 HE ARG 63 HE ARG 63 -28.600 -13.585 2.105 1427 1HH1 ARG 63 2HH2 ARG 63 -28.211 -13.889 5.650 1428 2HH1 ARG 63 1HH2 ARG 63 -29.586 -12.861 5.959 1429 1HH2 ARG 63 2HH1 ARG 63 -30.251 -12.118 2.588 1430 2HH2 ARG 63 1HH1 ARG 63 -30.753 -11.825 4.227 1431 H LEU 64 H LEU 64 -31.724 -16.450 6.469 1432 HA LEU 64 HA LEU 64 -34.363 -16.877 5.228 1433 1HB LEU 64 1HB LEU 64 -33.634 -16.266 8.115 1434 2HB LEU 64 2HB LEU 64 -35.187 -16.862 7.512 1435 HG LEU 64 HG LEU 64 -32.530 -18.365 7.505 1436 1HD1 LEU 64 1HD1 LEU 64 -35.140 -18.870 8.992 1437 2HD1 LEU 64 2HD1 LEU 64 -33.652 -19.832 9.112 1438 3HD1 LEU 64 3HD1 LEU 64 -33.678 -18.161 9.703 1439 1HD2 LEU 64 1HD2 LEU 64 -33.752 -19.049 5.502 1440 2HD2 LEU 64 2HD2 LEU 64 -33.891 -20.316 6.723 1441 3HD2 LEU 64 3HD2 LEU 64 -35.257 -19.218 6.437 1442 H ARG 65 H ARG 65 -33.566 -14.792 3.966 1443 HA ARG 65 HA ARG 65 -33.913 -12.675 3.354 1444 1HB ARG 65 1HB ARG 65 -36.275 -13.170 3.893 1445 2HB ARG 65 2HB ARG 65 -36.060 -12.481 5.508 1446 1HG ARG 65 1HG ARG 65 -35.412 -10.302 4.499 1447 2HG ARG 65 2HG ARG 65 -35.633 -10.983 2.879 1448 1HD ARG 65 1HD ARG 65 -37.794 -10.755 5.020 1449 2HD ARG 65 2HD ARG 65 -37.576 -9.640 3.652 1450 HE ARG 65 HE ARG 65 -37.765 -12.235 2.581 1451 1HH1 ARG 65 2HH2 ARG 65 -39.804 -9.938 4.318 1452 2HH1 ARG 65 1HH2 ARG 65 -41.299 -10.522 3.639 1453 1HH2 ARG 65 2HH1 ARG 65 -39.707 -13.023 1.684 1454 2HH2 ARG 65 1HH1 ARG 65 -41.238 -12.314 2.114 1455 H ARG 66 H ARG 66 -34.280 -12.520 6.897 1456 HA ARG 66 HA ARG 66 -33.205 -10.120 7.587 1457 1HB ARG 66 1HB ARG 66 -32.550 -11.201 9.734 1458 2HB ARG 66 2HB ARG 66 -34.155 -11.647 9.157 1459 1HG ARG 66 1HG ARG 66 -33.552 -13.759 9.620 1460 2HG ARG 66 2HG ARG 66 -32.718 -13.700 8.071 1461 1HD ARG 66 1HD ARG 66 -30.667 -12.868 9.375 1462 2HD ARG 66 2HD ARG 66 -31.504 -13.374 10.831 1463 HE ARG 66 HE ARG 66 -30.397 -15.020 8.638 1464 1HH1 ARG 66 1HH2 ARG 66 -32.477 -15.068 11.503 1465 2HH1 ARG 66 2HH2 ARG 66 -32.430 -16.801 11.664 1466 1HH2 ARG 66 2HH1 ARG 66 -30.454 -17.240 8.742 1467 2HH2 ARG 66 1HH1 ARG 66 -31.212 -18.071 10.086 1468 H SER 67 H SER 67 -31.276 -9.063 7.441 1469 HA SER 67 HA SER 67 -29.376 -9.818 5.712 1470 1HB SER 67 1HB SER 67 -28.873 -7.796 7.901 1471 2HB SER 67 2HB SER 67 -28.480 -7.698 6.172 1472 HG SER 67 HG SER 67 -30.354 -6.462 6.674 1473 H ALA 68 H ALA 68 -29.273 -11.839 8.062 1474 HA ALA 68 HA ALA 68 -26.487 -11.648 8.994 1475 1HB ALA 68 1HB ALA 68 -26.896 -13.887 9.884 1476 2HB ALA 68 2HB ALA 68 -28.193 -12.781 10.379 1477 3HB ALA 68 3HB ALA 68 -28.470 -13.956 9.074 1478 H HIS 69 H HIS 69 -25.829 -11.180 6.716 1479 HA HIS 69 HA HIS 69 -26.017 -13.263 4.716 1480 1HB HIS 69 1HB HIS 69 -24.682 -11.752 3.367 1481 2HB HIS 69 2HB HIS 69 -26.028 -10.929 4.138 1482 HD1 HIS 69 HD1 HIS 69 -22.235 -11.384 4.880 1483 HD2 HIS 69 HD2 HIS 69 -25.389 -8.604 5.100 1484 HE1 HIS 69 HE1 HIS 69 -21.210 -9.158 5.642 1485 H ALA 70 H ALA 70 -25.080 -14.655 6.752 1486 HA ALA 70 HA ALA 70 -22.415 -14.534 7.499 1487 1HB ALA 70 1HB ALA 70 -22.717 -16.886 8.239 1488 2HB ALA 70 2HB ALA 70 -24.085 -15.847 8.684 1489 3HB ALA 70 3HB ALA 70 -24.231 -16.962 7.311 1490 H ARG 71 H ARG 71 -20.629 -14.625 6.285 1491 HA ARG 71 HA ARG 71 -19.049 -15.262 4.823 1492 1HB ARG 71 1HB ARG 71 -20.496 -17.929 4.784 1493 2HB ARG 71 2HB ARG 71 -18.977 -17.560 3.981 1494 1HG ARG 71 1HG ARG 71 -18.344 -16.588 6.434 1495 2HG ARG 71 2HG ARG 71 -19.532 -17.808 6.922 1496 1HD ARG 71 1HD ARG 71 -18.253 -19.533 5.729 1497 2HD ARG 71 2HD ARG 71 -17.183 -18.282 5.041 1498 HE ARG 71 HE ARG 71 -17.072 -18.048 7.854 1499 1HH1 ARG 71 2HH1 ARG 71 -16.192 -20.407 5.382 1500 2HH1 ARG 71 1HH1 ARG 71 -14.904 -21.126 6.310 1501 1HH2 ARG 71 2HH2 ARG 71 -15.333 -18.907 9.052 1502 2HH2 ARG 71 1HH2 ARG 71 -14.387 -20.229 8.431 1503 H LYS 72 H LYS 72 -21.840 -14.132 3.804 1504 HA LYS 72 HA LYS 72 -21.872 -14.809 1.026 1505 1HB LYS 72 1HB LYS 72 -23.560 -13.395 2.269 1506 2HB LYS 72 2HB LYS 72 -22.367 -12.099 2.332 1507 1HG LYS 72 1HG LYS 72 -23.831 -11.605 0.519 1508 2HG LYS 72 2HG LYS 72 -22.297 -12.078 -0.185 1509 1HD LYS 72 1HD LYS 72 -24.195 -13.019 -1.417 1510 2HD LYS 72 2HD LYS 72 -23.185 -14.300 -0.761 1511 1HE LYS 72 1HE LYS 72 -25.631 -14.742 -0.551 1512 2HE LYS 72 2HE LYS 72 -24.805 -14.765 1.006 1513 1HZ LYS 72 1HZ LYS 72 -26.857 -13.544 1.082 1514 2HZ LYS 72 2HZ LYS 72 -25.594 -12.533 1.383 1515 3HZ LYS 72 3HZ LYS 72 -26.337 -12.496 -0.082 1516 H GLU 73 H GLU 73 -19.951 -12.692 3.023 1517 HA GLU 73 HA GLU 73 -18.304 -11.268 1.426 1518 1HB GLU 73 1HB GLU 73 -17.203 -12.946 3.719 1519 2HB GLU 73 2HB GLU 73 -16.598 -11.423 3.066 1520 1HG GLU 73 1HG GLU 73 -17.611 -10.756 5.034 1521 2HG GLU 73 2HG GLU 73 -18.846 -10.383 3.826 1522 H THR 74 H THR 74 -18.084 -14.844 1.894 1523 HA THR 74 HA THR 74 -15.570 -15.333 0.814 1524 HB THR 74 HB THR 74 -18.126 -16.975 0.704 1525 HG1 THR 74 HG1 THR 74 -15.943 -17.035 2.526 1526 1HG2 THR 74 1HG2 THR 74 -16.587 -18.934 0.710 1527 2HG2 THR 74 2HG2 THR 74 -16.539 -18.012 -0.797 1528 3HG2 THR 74 3HG2 THR 74 -15.221 -17.841 0.396 1529 H GLU 75 H GLU 75 -18.570 -14.484 -0.921 1530 HA GLU 75 HA GLU 75 -17.961 -15.245 -3.554 1531 1HB GLU 75 1HB GLU 75 -19.231 -12.726 -2.409 1532 2HB GLU 75 2HB GLU 75 -19.185 -13.073 -4.134 1533 1HG GLU 75 1HG GLU 75 -20.446 -15.153 -3.812 1534 2HG GLU 75 2HG GLU 75 -20.504 -14.888 -2.064 1535 H PHE 76 H PHE 76 -16.672 -12.581 -1.614 1536 HA PHE 76 HA PHE 76 -14.940 -11.641 -3.848 1537 1HB PHE 76 1HB PHE 76 -15.342 -10.372 -1.131 1538 2HB PHE 76 2HB PHE 76 -14.794 -9.628 -2.618 1539 HD1 PHE 76 HD1 PHE 76 -17.567 -10.218 -0.484 1540 HD2 PHE 76 HD2 PHE 76 -16.610 -9.792 -4.663 1541 HE1 PHE 76 HE1 PHE 76 -19.989 -10.128 -1.032 1542 HE2 PHE 76 HE2 PHE 76 -19.012 -9.721 -5.199 1543 HZ PHE 76 HZ PHE 76 -20.711 -9.880 -3.388 1544 H LEU 77 H LEU 77 -14.884 -12.703 -0.432 1545 HA LEU 77 HA LEU 77 -12.031 -12.369 -0.221 1546 1HB LEU 77 1HB LEU 77 -13.943 -13.752 1.685 1547 2HB LEU 77 2HB LEU 77 -12.293 -13.228 2.035 1548 HG LEU 77 HG LEU 77 -14.689 -11.438 1.461 1549 1HD1 LEU 77 1HD1 LEU 77 -12.902 -11.738 3.909 1550 2HD1 LEU 77 2HD1 LEU 77 -14.328 -10.692 3.757 1551 3HD1 LEU 77 3HD1 LEU 77 -14.515 -12.457 3.732 1552 1HD2 LEU 77 1HD2 LEU 77 -12.792 -10.333 0.424 1553 2HD2 LEU 77 2HD2 LEU 77 -13.159 -9.537 1.952 1554 3HD2 LEU 77 3HD2 LEU 77 -11.776 -10.648 1.854 1555 H ARG 78 H ARG 78 -13.739 -14.965 -1.681 1556 HA ARG 78 HA ARG 78 -12.309 -17.226 -1.060 1557 1HB ARG 78 1HB ARG 78 -13.342 -16.087 -3.620 1558 2HB ARG 78 2HB ARG 78 -12.197 -17.426 -3.758 1559 1HG ARG 78 1HG ARG 78 -13.487 -18.887 -2.374 1560 2HG ARG 78 2HG ARG 78 -14.597 -17.593 -1.925 1561 1HD ARG 78 1HD ARG 78 -14.248 -18.762 -4.707 1562 2HD ARG 78 2HD ARG 78 -15.602 -19.055 -3.586 1563 HE ARG 78 HE ARG 78 -15.498 -16.300 -3.849 1564 1HH1 ARG 78 1HH2 ARG 78 -16.097 -19.048 -5.984 1565 2HH1 ARG 78 2HH2 ARG 78 -16.855 -18.093 -7.233 1566 1HH2 ARG 78 1HH1 ARG 78 -16.359 -15.026 -5.519 1567 2HH2 ARG 78 2HH1 ARG 78 -17.089 -15.743 -6.923 1568 H LEU 79 H LEU 79 -11.060 -14.540 -3.095 1569 HA LEU 79 HA LEU 79 -8.549 -15.671 -3.738 1570 1HB LEU 79 1HB LEU 79 -9.397 -12.775 -3.271 1571 2HB LEU 79 2HB LEU 79 -7.797 -13.236 -3.840 1572 HG LEU 79 HG LEU 79 -9.135 -12.472 -5.657 1573 1HD1 LEU 79 1HD1 LEU 79 -8.804 -15.471 -5.998 1574 2HD1 LEU 79 2HD1 LEU 79 -8.767 -14.223 -7.248 1575 3HD1 LEU 79 3HD1 LEU 79 -7.465 -14.301 -6.048 1576 1HD2 LEU 79 1HD2 LEU 79 -11.113 -13.521 -6.504 1577 2HD2 LEU 79 2HD2 LEU 79 -11.078 -14.778 -5.264 1578 3HD2 LEU 79 3HD2 LEU 79 -11.395 -13.082 -4.813 1579 H LYS 80 H LYS 80 -9.411 -13.516 -1.027 1580 HA LYS 80 HA LYS 80 -6.857 -13.434 0.195 1581 1HB LYS 80 1HB LYS 80 -8.759 -11.841 0.521 1582 2HB LYS 80 2HB LYS 80 -9.555 -13.058 1.535 1583 1HG LYS 80 1HG LYS 80 -7.594 -13.042 3.066 1584 2HG LYS 80 2HG LYS 80 -6.784 -11.856 2.020 1585 1HD LYS 80 1HD LYS 80 -8.665 -10.268 2.366 1586 2HD LYS 80 2HD LYS 80 -9.443 -11.422 3.462 1587 1HE LYS 80 1HE LYS 80 -6.703 -10.118 3.865 1588 2HE LYS 80 2HE LYS 80 -8.202 -9.650 4.681 1589 1HZ LYS 80 1HZ LYS 80 -6.874 -12.258 4.923 1590 2HZ LYS 80 2HZ LYS 80 -6.880 -11.059 6.050 1591 3HZ LYS 80 3HZ LYS 80 -8.285 -11.829 5.661 1592 H ARG 81 H ARG 81 -9.711 -15.483 0.865 1593 HA ARG 81 HA ARG 81 -8.664 -16.983 3.031 1594 1HB ARG 81 1HB ARG 81 -10.657 -17.674 0.834 1595 2HB ARG 81 2HB ARG 81 -10.334 -18.727 2.219 1596 1HG ARG 81 1HG ARG 81 -11.162 -17.131 3.786 1597 2HG ARG 81 2HG ARG 81 -11.197 -15.828 2.594 1598 1HD ARG 81 1HD ARG 81 -12.962 -16.886 1.338 1599 2HD ARG 81 2HD ARG 81 -12.919 -18.334 2.338 1600 HE ARG 81 HE ARG 81 -14.114 -15.715 2.954 1601 1HH1 ARG 81 2HH1 ARG 81 -12.900 -18.705 4.400 1602 2HH1 ARG 81 1HH1 ARG 81 -14.005 -18.661 5.748 1603 1HH2 ARG 81 2HH2 ARG 81 -15.571 -15.663 4.732 1604 2HH2 ARG 81 1HH2 ARG 81 -15.512 -16.910 5.949 1605 H THR 82 H THR 82 -8.583 -17.669 -0.512 1606 HA THR 82 HA THR 82 -7.146 -20.106 -0.280 1607 HB THR 82 HB THR 82 -7.133 -18.141 -2.598 1608 HG1 THR 82 HG1 THR 82 -9.229 -18.713 -2.062 1609 1HG2 THR 82 1HG2 THR 82 -6.638 -21.152 -2.484 1610 2HG2 THR 82 2HG2 THR 82 -6.788 -20.198 -3.970 1611 3HG2 THR 82 3HG2 THR 82 -5.426 -19.911 -2.879 1612 H ARG 83 H ARG 83 -5.996 -16.724 -0.679 1613 HA ARG 83 HA ARG 83 -3.364 -17.241 -1.249 1614 1HB ARG 83 1HB ARG 83 -2.989 -15.060 -1.042 1615 2HB ARG 83 2HB ARG 83 -4.731 -14.996 -0.995 1616 1HG ARG 83 1HG ARG 83 -4.314 -13.628 0.774 1617 2HG ARG 83 2HG ARG 83 -4.275 -15.123 1.682 1618 1HD ARG 83 1HD ARG 83 -1.766 -15.163 1.447 1619 2HD ARG 83 2HD ARG 83 -1.839 -13.637 0.559 1620 HE ARG 83 HE ARG 83 -3.244 -13.332 2.994 1621 1HH1 ARG 83 1HH2 ARG 83 0.105 -13.510 1.766 1622 2HH1 ARG 83 2HH2 ARG 83 0.795 -13.247 3.345 1623 1HH2 ARG 83 1HH1 ARG 83 -2.286 -12.737 4.976 1624 2HH2 ARG 83 2HH1 ARG 83 -0.551 -12.682 5.131 1625 H LEU 84 H LEU 84 -4.875 -17.531 1.931 1626 HA LEU 84 HA LEU 84 -2.501 -17.446 3.506 1627 1HB LEU 84 1HB LEU 84 -5.063 -19.018 3.989 1628 2HB LEU 84 2HB LEU 84 -3.847 -18.617 5.207 1629 HG LEU 84 HG LEU 84 -5.574 -16.599 3.696 1630 1HD1 LEU 84 1HD1 LEU 84 -6.703 -16.301 5.853 1631 2HD1 LEU 84 2HD1 LEU 84 -6.847 -17.974 5.286 1632 3HD1 LEU 84 3HD1 LEU 84 -5.692 -17.570 6.576 1633 1HD2 LEU 84 1HD2 LEU 84 -3.570 -16.210 5.966 1634 2HD2 LEU 84 2HD2 LEU 84 -3.428 -15.568 4.314 1635 3HD2 LEU 84 3HD2 LEU 84 -4.704 -14.976 5.379 1636 H GLY 85 H GLY 85 -3.825 -19.971 1.428 1637 1HA GLY 85 1HA GLY 85 -2.549 -22.273 2.416 1638 2HA GLY 85 2HA GLY 85 -2.923 -21.924 0.719 1639 H LEU 86 H LEU 86 -1.146 -19.458 0.688 1640 HA LEU 86 HA LEU 86 1.329 -20.911 0.044 1641 1HB LEU 86 1HB LEU 86 0.537 -17.981 -0.192 1642 2HB LEU 86 2HB LEU 86 2.117 -18.610 -0.627 1643 HG LEU 86 HG LEU 86 0.867 -18.305 -2.561 1644 1HD1 LEU 86 1HD1 LEU 86 1.082 -20.435 -3.659 1645 2HD1 LEU 86 2HD1 LEU 86 2.392 -20.267 -2.477 1646 3HD1 LEU 86 3HD1 LEU 86 0.993 -21.312 -2.127 1647 1HD2 LEU 86 1HD2 LEU 86 -1.242 -20.325 -1.723 1648 2HD2 LEU 86 2HD2 LEU 86 -1.439 -18.570 -1.544 1649 3HD2 LEU 86 3HD2 LEU 86 -1.219 -19.268 -3.144 1650 H GLU 87 H GLU 87 0.090 -19.310 2.880 1651 HA GLU 87 HA GLU 87 2.788 -18.583 3.848 1652 1HB GLU 87 1HB GLU 87 0.066 -18.417 5.200 1653 2HB GLU 87 2HB GLU 87 1.607 -17.831 5.847 1654 1HG GLU 87 1HG GLU 87 1.830 -16.356 3.789 1655 2HG GLU 87 2HG GLU 87 0.171 -16.804 3.355 1656 1H LYS 62 H1 LYS 62 19.099 24.719 5.075 1657 2H LYS 62 H2 LYS 62 17.662 23.924 5.169 1658 3H LYS 62 H3 LYS 62 18.796 23.431 4.080 1659 HA LYS 62 HA LYS 62 18.728 21.955 5.936 1660 1HB LYS 62 1HB LYS 62 21.251 23.647 6.066 1661 2HB LYS 62 2HB LYS 62 21.090 21.939 6.486 1662 1HG LYS 62 1HG LYS 62 20.821 23.152 3.689 1663 2HG LYS 62 2HG LYS 62 22.221 22.299 4.320 1664 1HD LYS 62 1HD LYS 62 20.994 20.213 4.503 1665 2HD LYS 62 2HD LYS 62 19.469 21.001 4.041 1666 1HE LYS 62 1HE LYS 62 20.364 21.552 1.826 1667 2HE LYS 62 2HE LYS 62 21.926 20.836 2.251 1668 1HZ LYS 62 1HZ LYS 62 20.578 19.332 1.002 1669 2HZ LYS 62 2HZ LYS 62 20.809 18.734 2.519 1670 3HZ LYS 62 3HZ LYS 62 19.362 19.409 2.110 1671 H ARG 63 H ARG 63 18.208 21.720 8.068 1672 HA ARG 63 HA ARG 63 17.617 24.204 9.584 1673 1HB ARG 63 1HB ARG 63 16.998 21.308 10.245 1674 2HB ARG 63 2HB ARG 63 16.402 22.720 11.094 1675 1HG ARG 63 1HG ARG 63 14.925 23.306 9.403 1676 2HG ARG 63 2HG ARG 63 15.821 22.487 8.124 1677 1HD ARG 63 1HD ARG 63 14.348 21.019 10.342 1678 2HD ARG 63 2HD ARG 63 13.712 21.352 8.717 1679 HE ARG 63 HE ARG 63 16.271 20.069 8.535 1680 1HH1 ARG 63 2HH2 ARG 63 12.875 19.380 9.228 1681 2HH1 ARG 63 1HH2 ARG 63 12.922 17.771 8.554 1682 1HH2 ARG 63 2HH1 ARG 63 16.354 17.926 7.719 1683 2HH2 ARG 63 1HH1 ARG 63 14.914 16.941 7.689 1684 H LEU 64 H LEU 64 20.100 24.391 9.399 1685 HA LEU 64 HA LEU 64 22.223 24.231 10.226 1686 1HB LEU 64 1HB LEU 64 20.814 23.885 12.901 1687 2HB LEU 64 2HB LEU 64 22.452 24.493 12.637 1688 HG LEU 64 HG LEU 64 19.873 25.880 11.761 1689 1HD1 LEU 64 1HD1 LEU 64 20.284 25.886 14.209 1690 2HD1 LEU 64 2HD1 LEU 64 21.896 26.572 13.931 1691 3HD1 LEU 64 3HD1 LEU 64 20.446 27.504 13.504 1692 1HD2 LEU 64 1HD2 LEU 64 21.658 26.441 10.178 1693 2HD2 LEU 64 2HD2 LEU 64 21.383 27.808 11.260 1694 3HD2 LEU 64 3HD2 LEU 64 22.788 26.752 11.516 1695 H ARG 65 H ARG 65 21.101 21.739 9.295 1696 HA ARG 65 HA ARG 65 21.573 19.534 9.184 1697 1HB ARG 65 1HB ARG 65 24.048 20.130 10.823 1698 2HB ARG 65 2HB ARG 65 23.753 18.752 9.758 1699 1HG ARG 65 1HG ARG 65 23.580 20.323 7.811 1700 2HG ARG 65 2HG ARG 65 24.010 21.666 8.895 1701 1HD ARG 65 1HD ARG 65 26.117 20.484 9.501 1702 2HD ARG 65 2HD ARG 65 25.713 19.208 8.330 1703 HE ARG 65 HE ARG 65 25.668 21.848 7.136 1704 1HH1 ARG 65 2HH2 ARG 65 27.924 19.413 8.337 1705 2HH1 ARG 65 1HH2 ARG 65 29.203 19.844 7.237 1706 1HH2 ARG 65 2HH1 ARG 65 27.327 22.416 5.671 1707 2HH2 ARG 65 1HH1 ARG 65 28.856 21.586 5.694 1708 H ARG 66 H ARG 66 20.211 20.710 11.841 1709 HA ARG 66 HA ARG 66 21.122 19.271 13.984 1710 1HB ARG 66 1HB ARG 66 19.130 19.797 15.145 1711 2HB ARG 66 2HB ARG 66 19.578 21.140 14.096 1712 1HG ARG 66 1HG ARG 66 17.807 20.198 12.431 1713 2HG ARG 66 2HG ARG 66 17.291 19.141 13.761 1714 1HD ARG 66 1HD ARG 66 15.894 21.117 13.729 1715 2HD ARG 66 2HD ARG 66 16.926 21.157 15.180 1716 HE ARG 66 HE ARG 66 18.190 22.489 12.969 1717 1HH1 ARG 66 1HH2 ARG 66 15.562 22.961 15.281 1718 2HH1 ARG 66 2HH2 ARG 66 15.689 24.701 15.296 1719 1HH2 ARG 66 2HH1 ARG 66 18.424 24.729 13.024 1720 2HH2 ARG 66 1HH1 ARG 66 17.354 25.734 13.965 1721 H SER 67 H SER 67 18.381 18.130 11.884 1722 HA SER 67 HA SER 67 18.277 15.574 13.244 1723 1HB SER 67 1HB SER 67 16.622 15.254 11.206 1724 2HB SER 67 2HB SER 67 16.236 16.370 12.522 1725 HG SER 67 HG SER 67 15.953 17.376 10.486 1726 H ALA 68 H ALA 68 20.894 15.965 12.383 1727 HA ALA 68 HA ALA 68 22.612 15.123 11.196 1728 1HB ALA 68 1HB ALA 68 21.852 13.223 12.588 1729 2HB ALA 68 2HB ALA 68 20.854 12.638 11.238 1730 3HB ALA 68 3HB ALA 68 22.622 12.680 11.086 1731 H HIS 69 H HIS 69 20.584 16.405 9.447 1732 HA HIS 69 HA HIS 69 20.409 14.670 7.108 1733 1HB HIS 69 1HB HIS 69 19.144 16.549 6.091 1734 2HB HIS 69 2HB HIS 69 18.468 15.853 7.560 1735 HD1 HIS 69 HD1 HIS 69 18.406 17.408 9.750 1736 HD2 HIS 69 HD2 HIS 69 19.751 19.162 6.169 1737 HE1 HIS 69 HE1 HIS 69 18.554 19.883 10.178 1738 H ALA 70 H ALA 70 22.893 14.641 7.281 1739 HA ALA 70 HA ALA 70 24.305 16.842 5.994 1740 1HB ALA 70 1HB ALA 70 25.207 14.006 6.611 1741 2HB ALA 70 2HB ALA 70 26.245 15.358 6.110 1742 3HB ALA 70 3HB ALA 70 25.398 15.423 7.667 1743 H ARG 71 H ARG 71 22.347 16.494 4.351 1744 HA ARG 71 HA ARG 71 21.702 16.263 2.219 1745 1HB ARG 71 1HB ARG 71 24.701 15.951 1.802 1746 2HB ARG 71 2HB ARG 71 23.543 15.880 0.483 1747 1HG ARG 71 1HG ARG 71 24.472 18.092 0.639 1748 2HG ARG 71 2HG ARG 71 22.732 18.110 0.919 1749 1HD ARG 71 1HD ARG 71 23.963 19.647 2.408 1750 2HD ARG 71 2HD ARG 71 23.080 18.414 3.325 1751 HE ARG 71 HE ARG 71 25.796 17.598 2.779 1752 1HH1 ARG 71 2HH1 ARG 71 23.876 19.740 4.833 1753 2HH1 ARG 71 1HH1 ARG 71 25.083 19.853 6.085 1754 1HH2 ARG 71 2HH2 ARG 71 27.374 17.717 4.435 1755 2HH2 ARG 71 1HH2 ARG 71 27.102 18.706 5.847 1756 H LYS 72 H LYS 72 24.212 13.757 2.387 1757 HA LYS 72 HA LYS 72 23.279 12.104 0.384 1758 1HB LYS 72 1HB LYS 72 24.705 11.337 2.951 1759 2HB LYS 72 2HB LYS 72 24.582 10.318 1.502 1760 1HG LYS 72 1HG LYS 72 25.772 11.887 0.153 1761 2HG LYS 72 2HG LYS 72 25.871 13.080 1.447 1762 1HD LYS 72 1HD LYS 72 27.174 10.320 1.431 1763 2HD LYS 72 2HD LYS 72 27.990 11.871 1.205 1764 1HE LYS 72 1HE LYS 72 26.703 10.810 3.761 1765 2HE LYS 72 2HE LYS 72 28.403 11.146 3.454 1766 1HZ LYS 72 1HZ LYS 72 27.438 12.873 4.727 1767 2HZ LYS 72 2HZ LYS 72 27.838 13.475 3.247 1768 3HZ LYS 72 3HZ LYS 72 26.261 13.162 3.617 1769 H GLU 73 H GLU 73 22.744 11.388 3.842 1770 HA GLU 73 HA GLU 73 20.912 9.311 3.429 1771 1HB GLU 73 1HB GLU 73 20.458 9.398 5.762 1772 2HB GLU 73 2HB GLU 73 22.176 9.704 5.504 1773 1HG GLU 73 1HG GLU 73 20.020 11.743 6.228 1774 2HG GLU 73 2HG GLU 73 21.333 11.172 7.252 1775 H THR 74 H THR 74 20.272 12.710 3.078 1776 HA THR 74 HA THR 74 17.369 12.356 3.682 1777 HB THR 74 HB THR 74 19.002 14.903 3.415 1778 HG1 THR 74 HG1 THR 74 19.676 13.669 5.155 1779 1HG2 THR 74 1HG2 THR 74 16.224 14.342 4.563 1780 2HG2 THR 74 2HG2 THR 74 17.100 15.879 4.709 1781 3HG2 THR 74 3HG2 THR 74 16.580 15.314 3.116 1782 H GLU 75 H GLU 75 19.621 13.160 1.068 1783 HA GLU 75 HA GLU 75 18.139 14.764 -0.504 1784 1HB GLU 75 1HB GLU 75 19.515 14.120 -2.367 1785 2HB GLU 75 2HB GLU 75 20.456 14.120 -0.871 1786 1HG GLU 75 1HG GLU 75 19.995 11.568 -0.786 1787 2HG GLU 75 2HG GLU 75 19.404 11.730 -2.442 1788 H PHE 76 H PHE 76 17.582 11.286 -0.287 1789 HA PHE 76 HA PHE 76 15.543 11.301 -2.390 1790 1HB PHE 76 1HB PHE 76 15.152 8.954 -0.980 1791 2HB PHE 76 2HB PHE 76 16.145 9.151 -2.405 1792 HD1 PHE 76 HD1 PHE 76 18.608 9.457 -2.236 1793 HD2 PHE 76 HD2 PHE 76 16.185 8.434 1.179 1794 HE1 PHE 76 HE1 PHE 76 20.644 8.840 -0.979 1795 HE2 PHE 76 HE2 PHE 76 18.218 7.917 2.460 1796 HZ PHE 76 HZ PHE 76 20.479 8.110 1.373 1797 H LEU 77 H LEU 77 15.454 10.814 1.173 1798 HA LEU 77 HA LEU 77 12.647 10.732 1.404 1799 1HB LEU 77 1HB LEU 77 14.822 11.581 3.340 1800 2HB LEU 77 2HB LEU 77 13.126 11.509 3.821 1801 HG LEU 77 HG LEU 77 14.549 9.099 2.633 1802 1HD1 LEU 77 1HD1 LEU 77 15.760 9.811 4.655 1803 2HD1 LEU 77 2HD1 LEU 77 14.235 9.855 5.567 1804 3HD1 LEU 77 3HD1 LEU 77 14.863 8.312 4.949 1805 1HD2 LEU 77 1HD2 LEU 77 12.746 7.852 3.813 1806 2HD2 LEU 77 2HD2 LEU 77 12.028 9.383 4.342 1807 3HD2 LEU 77 3HD2 LEU 77 12.067 8.960 2.618 1808 H ARG 78 H ARG 78 14.759 13.512 1.132 1809 HA ARG 78 HA ARG 78 13.256 15.688 1.852 1810 1HB ARG 78 1HB ARG 78 15.496 15.780 0.899 1811 2HB ARG 78 2HB ARG 78 14.882 15.160 -0.642 1812 1HG ARG 78 1HG ARG 78 13.659 17.248 -1.050 1813 2HG ARG 78 2HG ARG 78 14.099 17.859 0.558 1814 1HD ARG 78 1HD ARG 78 15.540 18.774 -1.300 1815 2HD ARG 78 2HD ARG 78 16.445 17.932 -0.049 1816 HE ARG 78 HE ARG 78 16.766 16.047 -1.418 1817 1HH1 ARG 78 1HH1 ARG 78 15.326 18.693 -3.306 1818 2HH1 ARG 78 2HH1 ARG 78 15.466 17.818 -4.806 1819 1HH2 ARG 78 2HH2 ARG 78 16.686 14.890 -3.257 1820 2HH2 ARG 78 1HH2 ARG 78 16.378 15.625 -4.814 1821 H LEU 79 H LEU 79 12.766 13.690 -1.154 1822 HA LEU 79 HA LEU 79 10.795 15.535 -2.218 1823 1HB LEU 79 1HB LEU 79 11.503 12.656 -2.892 1824 2HB LEU 79 2HB LEU 79 10.178 13.550 -3.655 1825 HG LEU 79 HG LEU 79 11.725 15.308 -4.414 1826 1HD1 LEU 79 1HD1 LEU 79 13.622 15.158 -2.910 1827 2HD1 LEU 79 2HD1 LEU 79 13.879 13.442 -3.323 1828 3HD1 LEU 79 3HD1 LEU 79 14.166 14.712 -4.528 1829 1HD2 LEU 79 1HD2 LEU 79 12.663 14.026 -6.253 1830 2HD2 LEU 79 2HD2 LEU 79 12.530 12.522 -5.329 1831 3HD2 LEU 79 3HD2 LEU 79 11.063 13.382 -5.856 1832 H LYS 80 H LYS 80 10.617 12.574 -0.233 1833 HA LYS 80 HA LYS 80 7.748 12.352 -0.150 1834 1HB LYS 80 1HB LYS 80 9.369 10.568 0.521 1835 2HB LYS 80 2HB LYS 80 9.723 11.507 1.985 1836 1HG LYS 80 1HG LYS 80 7.233 11.466 2.510 1837 2HG LYS 80 2HG LYS 80 7.024 10.374 1.124 1838 1HD LYS 80 1HD LYS 80 8.694 8.825 2.159 1839 2HD LYS 80 2HD LYS 80 8.778 9.888 3.573 1840 1HE LYS 80 1HE LYS 80 6.290 8.429 2.561 1841 2HE LYS 80 2HE LYS 80 7.262 7.970 3.967 1842 1HZ LYS 80 1HZ LYS 80 5.322 9.174 4.596 1843 2HZ LYS 80 2HZ LYS 80 6.666 10.042 4.985 1844 3HZ LYS 80 3HZ LYS 80 5.752 10.470 3.680 1845 H ARG 81 H ARG 81 10.165 13.896 1.996 1846 HA ARG 81 HA ARG 81 8.436 15.009 3.900 1847 1HB ARG 81 1HB ARG 81 10.942 14.885 4.018 1848 2HB ARG 81 2HB ARG 81 11.030 16.229 2.867 1849 1HG ARG 81 1HG ARG 81 9.705 17.633 4.486 1850 2HG ARG 81 2HG ARG 81 9.749 16.288 5.633 1851 1HD ARG 81 1HD ARG 81 12.165 17.747 4.459 1852 2HD ARG 81 2HD ARG 81 11.509 18.048 6.060 1853 HE ARG 81 HE ARG 81 13.235 15.872 5.202 1854 1HH1 ARG 81 2HH2 ARG 81 10.747 16.695 7.566 1855 2HH1 ARG 81 1HH2 ARG 81 11.340 15.607 8.792 1856 1HH2 ARG 81 2HH1 ARG 81 14.006 14.411 6.777 1857 2HH2 ARG 81 1HH1 ARG 81 13.222 14.278 8.323 1858 H THR 82 H THR 82 9.605 16.411 0.800 1859 HA THR 82 HA THR 82 8.284 18.904 1.058 1860 HB THR 82 HB THR 82 8.990 17.376 -1.490 1861 HG1 THR 82 HG1 THR 82 10.781 17.739 -0.160 1862 1HG2 THR 82 1HG2 THR 82 8.489 20.346 -0.990 1863 2HG2 THR 82 2HG2 THR 82 9.115 19.643 -2.495 1864 3HG2 THR 82 3HG2 THR 82 7.465 19.268 -1.967 1865 H ARG 83 H ARG 83 7.167 15.856 -0.612 1866 HA ARG 83 HA ARG 83 4.685 17.023 -1.379 1867 1HB ARG 83 1HB ARG 83 5.660 14.175 -1.060 1868 2HB ARG 83 2HB ARG 83 4.047 14.562 -1.660 1869 1HG ARG 83 1HG ARG 83 4.880 15.826 -3.525 1870 2HG ARG 83 2HG ARG 83 6.542 15.773 -2.918 1871 1HD ARG 83 1HD ARG 83 4.952 13.329 -3.797 1872 2HD ARG 83 2HD ARG 83 6.157 14.204 -4.765 1873 HE ARG 83 HE ARG 83 7.331 13.547 -2.269 1874 1HH1 ARG 83 2HH1 ARG 83 6.343 12.096 -5.334 1875 2HH1 ARG 83 1HH1 ARG 83 7.558 10.852 -5.303 1876 1HH2 ARG 83 1HH2 ARG 83 8.809 11.799 -2.126 1877 2HH2 ARG 83 2HH2 ARG 83 9.235 10.982 -3.605 1878 H LEU 84 H LEU 84 5.664 15.222 1.535 1879 HA LEU 84 HA LEU 84 3.073 15.028 2.719 1880 1HB LEU 84 1HB LEU 84 4.989 13.687 3.439 1881 2HB LEU 84 2HB LEU 84 5.870 15.141 3.917 1882 HG LEU 84 HG LEU 84 4.251 15.579 5.720 1883 1HD1 LEU 84 1HD1 LEU 84 2.192 14.629 4.806 1884 2HD1 LEU 84 2HD1 LEU 84 2.916 13.004 4.762 1885 3HD1 LEU 84 3HD1 LEU 84 2.584 13.802 6.314 1886 1HD2 LEU 84 1HD2 LEU 84 6.245 14.181 6.137 1887 2HD2 LEU 84 2HD2 LEU 84 4.877 13.677 7.147 1888 3HD2 LEU 84 3HD2 LEU 84 5.319 12.725 5.713 1889 H GLY 85 H GLY 85 5.599 17.543 2.724 1890 1HA GLY 85 1HA GLY 85 4.782 19.332 4.615 1891 2HA GLY 85 2HA GLY 85 5.488 19.780 3.055 1892 H LEU 86 H LEU 86 3.107 18.749 1.493 1893 HA LEU 86 HA LEU 86 1.537 21.172 1.565 1894 1HB LEU 86 1HB LEU 86 1.115 18.463 0.253 1895 2HB LEU 86 2HB LEU 86 -0.071 19.749 0.161 1896 HG LEU 86 HG LEU 86 1.044 19.870 -1.845 1897 1HD1 LEU 86 1HD1 LEU 86 1.968 22.042 -1.984 1898 2HD1 LEU 86 2HD1 LEU 86 0.711 22.082 -0.735 1899 3HD1 LEU 86 3HD1 LEU 86 2.434 22.058 -0.277 1900 1HD2 LEU 86 1HD2 LEU 86 2.986 18.514 -1.330 1901 2HD2 LEU 86 2HD2 LEU 86 3.455 19.991 -2.180 1902 3HD2 LEU 86 3HD2 LEU 86 3.734 19.858 -0.432 1903 H GLU 87 H GLU 87 1.285 18.190 3.408 1904 HA GLU 87 HA GLU 87 -1.540 18.367 3.876 1905 1HB GLU 87 1HB GLU 87 -0.138 16.291 4.132 1906 2HB GLU 87 2HB GLU 87 0.644 17.025 5.535 1907 1HG GLU 87 1HG GLU 87 -1.099 15.451 6.226 1908 2HG GLU 87 2HG GLU 87 -1.503 17.089 6.744 Start of MODEL 15 1 1H SER 1 1H SER 1 10.451 4.310 -12.948 2 2H SER 1 2H SER 1 9.136 4.165 -11.967 3 3H SER 1 3H SER 1 9.834 2.817 -12.635 4 HA SER 1 HA SER 1 8.498 4.888 -14.188 5 1HB SER 1 1HB SER 1 8.794 3.137 -16.018 6 2HB SER 1 2HB SER 1 10.292 3.936 -15.472 7 HG SER 1 HG SER 1 10.063 1.427 -15.569 8 H GLU 2 H GLU 2 8.306 1.383 -14.171 9 HA GLU 2 HA GLU 2 5.538 1.241 -14.614 10 1HB GLU 2 1HB GLU 2 7.278 -0.820 -13.177 11 2HB GLU 2 2HB GLU 2 5.637 -1.082 -13.771 12 1HG GLU 2 1HG GLU 2 6.866 -1.976 -15.494 13 2HG GLU 2 2HG GLU 2 6.557 -0.350 -16.108 14 H LEU 3 H LEU 3 7.224 0.964 -11.436 15 HA LEU 3 HA LEU 3 4.751 0.746 -9.979 16 1HB LEU 3 1HB LEU 3 7.356 1.803 -8.874 17 2HB LEU 3 2HB LEU 3 5.958 1.167 -7.992 18 HG LEU 3 HG LEU 3 7.916 -0.385 -9.717 19 1HD1 LEU 3 1HD1 LEU 3 6.965 -0.679 -6.838 20 2HD1 LEU 3 2HD1 LEU 3 8.172 -1.691 -7.654 21 3HD1 LEU 3 3HD1 LEU 3 8.514 0.023 -7.356 22 1HD2 LEU 3 1HD2 LEU 3 6.435 -2.388 -9.081 23 2HD2 LEU 3 2HD2 LEU 3 5.140 -1.198 -8.855 24 3HD2 LEU 3 3HD2 LEU 3 5.910 -1.382 -10.437 25 H GLU 4 H GLU 4 6.602 3.579 -11.120 26 HA GLU 4 HA GLU 4 5.166 5.467 -9.499 27 1HB GLU 4 1HB GLU 4 7.342 5.923 -10.540 28 2HB GLU 4 2HB GLU 4 6.605 5.955 -12.143 29 1HG GLU 4 1HG GLU 4 5.650 7.724 -9.837 30 2HG GLU 4 2HG GLU 4 6.986 8.190 -10.878 31 H LYS 5 H LYS 5 4.642 4.017 -12.725 32 HA LYS 5 HA LYS 5 2.329 5.617 -13.383 33 1HB LYS 5 1HB LYS 5 3.103 2.853 -14.372 34 2HB LYS 5 2HB LYS 5 1.840 3.883 -15.053 35 1HG LYS 5 1HG LYS 5 4.818 4.533 -14.968 36 2HG LYS 5 2HG LYS 5 3.892 4.003 -16.374 37 1HD LYS 5 1HD LYS 5 2.493 6.091 -16.182 38 2HD LYS 5 2HD LYS 5 3.535 6.626 -14.845 39 1HE LYS 5 1HE LYS 5 5.519 6.516 -16.323 40 2HE LYS 5 2HE LYS 5 4.475 6.060 -17.685 41 1HZ LYS 5 1HZ LYS 5 4.309 8.553 -16.141 42 2HZ LYS 5 2HZ LYS 5 4.946 8.393 -17.652 43 3HZ LYS 5 3HZ LYS 5 3.334 8.146 -17.407 44 H ALA 6 H ALA 6 2.678 2.374 -11.938 45 HA ALA 6 HA ALA 6 -0.027 1.820 -11.417 46 1HB ALA 6 1HB ALA 6 2.442 1.204 -9.739 47 2HB ALA 6 2HB ALA 6 0.882 0.391 -9.571 48 3HB ALA 6 3HB ALA 6 1.816 0.232 -11.077 49 H VAL 7 H VAL 7 2.308 3.577 -9.365 50 HA VAL 7 HA VAL 7 0.611 4.250 -7.226 51 HB VAL 7 HB VAL 7 3.169 5.330 -8.396 52 1HG1 VAL 7 1HG1 VAL 7 2.170 7.358 -7.466 53 2HG1 VAL 7 2HG1 VAL 7 1.917 6.514 -5.920 54 3HG1 VAL 7 3HG1 VAL 7 3.552 6.772 -6.533 55 1HG2 VAL 7 1HG2 VAL 7 4.121 4.406 -6.350 56 2HG2 VAL 7 2HG2 VAL 7 2.501 4.069 -5.709 57 3HG2 VAL 7 3HG2 VAL 7 3.100 3.166 -7.097 58 H VAL 8 H VAL 8 1.389 6.362 -10.139 59 HA VAL 8 HA VAL 8 -0.481 8.314 -9.145 60 HB VAL 8 HB VAL 8 -0.299 9.473 -11.231 61 1HG1 VAL 8 1HG1 VAL 8 1.399 9.762 -9.470 62 2HG1 VAL 8 2HG1 VAL 8 2.396 8.492 -10.210 63 3HG1 VAL 8 3HG1 VAL 8 2.074 10.002 -11.088 64 1HG2 VAL 8 1HG2 VAL 8 1.188 8.726 -13.034 65 2HG2 VAL 8 2HG2 VAL 8 1.416 7.181 -12.207 66 3HG2 VAL 8 3HG2 VAL 8 -0.180 7.614 -12.847 67 H ALA 9 H ALA 9 -0.887 5.510 -11.314 68 HA ALA 9 HA ALA 9 -3.551 6.088 -12.126 69 1HB ALA 9 1HB ALA 9 -2.227 4.247 -13.077 70 2HB ALA 9 2HB ALA 9 -2.303 3.371 -11.535 71 3HB ALA 9 3HB ALA 9 -3.787 3.675 -12.453 72 H LEU 10 H LEU 10 -2.339 4.325 -9.199 73 HA LEU 10 HA LEU 10 -4.859 3.880 -8.000 74 1HB LEU 10 1HB LEU 10 -2.026 3.999 -7.055 75 2HB LEU 10 2HB LEU 10 -3.215 4.443 -5.839 76 HG LEU 10 HG LEU 10 -4.461 2.322 -6.294 77 1HD1 LEU 10 1HD1 LEU 10 -3.478 1.843 -8.567 78 2HD1 LEU 10 2HD1 LEU 10 -1.904 1.576 -7.784 79 3HD1 LEU 10 3HD1 LEU 10 -3.267 0.496 -7.429 80 1HD2 LEU 10 1HD2 LEU 10 -2.853 0.947 -5.008 81 2HD2 LEU 10 2HD2 LEU 10 -1.573 2.133 -5.348 82 3HD2 LEU 10 3HD2 LEU 10 -2.989 2.599 -4.375 83 H ILE 11 H ILE 11 -2.657 6.701 -7.553 84 HA ILE 11 HA ILE 11 -4.371 8.075 -5.743 85 HB ILE 11 HB ILE 11 -2.299 9.144 -7.701 86 1HG1 ILE 11 1HG1 ILE 11 -2.250 8.647 -4.683 87 2HG1 ILE 11 2HG1 ILE 11 -1.503 7.619 -5.908 88 1HG2 ILE 11 1HG2 ILE 11 -3.722 10.622 -5.441 89 2HG2 ILE 11 2HG2 ILE 11 -2.346 11.248 -6.373 90 3HG2 ILE 11 3HG2 ILE 11 -3.877 10.978 -7.172 91 1HD1 ILE 11 1HD1 ILE 11 -0.672 10.446 -5.158 92 2HD1 ILE 11 2HD1 ILE 11 0.233 8.940 -4.999 93 3HD1 ILE 11 3HD1 ILE 11 -0.084 9.599 -6.612 94 H ASP 12 H ASP 12 -4.097 8.424 -9.326 95 HA ASP 12 HA ASP 12 -6.026 10.482 -9.493 96 1HB ASP 12 1HB ASP 12 -4.446 10.003 -11.300 97 2HB ASP 12 2HB ASP 12 -5.200 8.427 -11.586 98 H VAL 13 H VAL 13 -6.423 6.929 -10.021 99 HA VAL 13 HA VAL 13 -9.190 7.051 -10.689 100 HB VAL 13 HB VAL 13 -7.485 4.837 -9.472 101 1HG1 VAL 13 1HG1 VAL 13 -10.309 4.661 -10.612 102 2HG1 VAL 13 2HG1 VAL 13 -9.257 3.279 -10.251 103 3HG1 VAL 13 3HG1 VAL 13 -9.824 4.313 -8.937 104 1HG2 VAL 13 1HG2 VAL 13 -8.558 5.201 -12.311 105 2HG2 VAL 13 2HG2 VAL 13 -6.921 5.665 -11.827 106 3HG2 VAL 13 3HG2 VAL 13 -7.412 3.971 -11.738 107 H PHE 14 H PHE 14 -7.564 6.367 -7.544 108 HA PHE 14 HA PHE 14 -9.940 6.073 -6.033 109 1HB PHE 14 1HB PHE 14 -7.765 5.420 -5.171 110 2HB PHE 14 2HB PHE 14 -7.184 7.084 -5.248 111 HD1 PHE 14 HD1 PHE 14 -9.389 4.752 -3.404 112 HD2 PHE 14 HD2 PHE 14 -7.941 8.798 -3.682 113 HE1 PHE 14 HE1 PHE 14 -10.207 5.223 -1.097 114 HE2 PHE 14 HE2 PHE 14 -8.906 9.296 -1.496 115 HZ PHE 14 HZ PHE 14 -9.985 7.487 -0.142 116 H HIS 15 H HIS 15 -7.923 9.028 -6.590 117 HA HIS 15 HA HIS 15 -9.504 10.639 -4.896 118 1HB HIS 15 1HB HIS 15 -7.183 11.165 -5.590 119 2HB HIS 15 2HB HIS 15 -7.764 11.534 -7.218 120 HD1 HIS 15 HD1 HIS 15 -9.525 12.712 -3.937 121 HD2 HIS 15 HD2 HIS 15 -7.304 14.142 -7.233 122 HE1 HIS 15 HE1 HIS 15 -9.653 15.247 -3.870 123 H GLN 16 H GLN 16 -9.634 10.112 -8.450 124 HA GLN 16 HA GLN 16 -11.719 11.909 -9.110 125 1HB GLN 16 1HB GLN 16 -10.798 9.202 -10.139 126 2HB GLN 16 2HB GLN 16 -12.250 9.920 -10.796 127 1HG GLN 16 1HG GLN 16 -9.609 11.426 -10.689 128 2HG GLN 16 2HG GLN 16 -10.061 10.375 -12.039 129 1HE2 GLN 16 1HE2 GLN 16 -9.568 13.134 -12.433 130 2HE2 GLN 16 2HE2 GLN 16 -11.092 13.882 -12.883 131 H TYR 17 H TYR 17 -11.936 8.483 -7.992 132 HA TYR 17 HA TYR 17 -14.792 8.453 -8.127 133 1HB TYR 17 1HB TYR 17 -12.788 6.628 -6.815 134 2HB TYR 17 2HB TYR 17 -14.527 6.399 -6.670 135 HD1 TYR 17 HD1 TYR 17 -12.653 7.500 -9.811 136 HD2 TYR 17 HD2 TYR 17 -14.961 4.411 -7.858 137 HE1 TYR 17 HE1 TYR 17 -12.565 6.153 -11.837 138 HE2 TYR 17 HE2 TYR 17 -14.806 3.035 -9.911 139 HH TYR 17 HH TYR 17 -13.614 2.795 -12.030 140 H SER 18 H SER 18 -12.551 8.860 -5.362 141 HA SER 18 HA SER 18 -14.343 9.412 -3.248 142 1HB SER 18 1HB SER 18 -11.672 10.736 -3.833 143 2HB SER 18 2HB SER 18 -12.515 10.669 -2.284 144 HG SER 18 HG SER 18 -11.356 8.542 -3.761 145 H GLY 19 H GLY 19 -13.109 11.603 -5.803 146 1HA GLY 19 1HA GLY 19 -14.057 14.029 -4.748 147 2HA GLY 19 2HA GLY 19 -13.688 13.682 -6.449 148 H ARG 20 H ARG 20 -15.715 11.502 -6.658 149 HA ARG 20 HA ARG 20 -17.859 13.162 -7.531 150 1HB ARG 20 1HB ARG 20 -18.154 10.194 -7.057 151 2HB ARG 20 2HB ARG 20 -18.977 11.241 -8.225 152 1HG ARG 20 1HG ARG 20 -16.368 11.664 -8.968 153 2HG ARG 20 2HG ARG 20 -16.240 10.061 -8.261 154 1HD ARG 20 1HD ARG 20 -18.232 9.405 -9.762 155 2HD ARG 20 2HD ARG 20 -17.873 10.878 -10.678 156 HE ARG 20 HE ARG 20 -16.533 8.359 -10.765 157 1HH1 ARG 20 2HH2 ARG 20 -15.670 11.794 -10.837 158 2HH1 ARG 20 1HH2 ARG 20 -14.156 11.534 -11.668 159 1HH2 ARG 20 1HH1 ARG 20 -14.627 8.028 -11.921 160 2HH2 ARG 20 2HH1 ARG 20 -13.638 9.381 -12.405 161 H GLU 21 H GLU 21 -17.474 11.143 -4.569 162 HA GLU 21 HA GLU 21 -18.807 13.118 -3.110 163 1HB GLU 21 1HB GLU 21 -20.721 11.798 -2.162 164 2HB GLU 21 2HB GLU 21 -20.932 12.458 -3.781 165 1HG GLU 21 1HG GLU 21 -20.475 10.254 -4.782 166 2HG GLU 21 2HG GLU 21 -20.207 9.587 -3.154 167 H GLY 22 H GLY 22 -17.172 13.202 -1.723 168 1HA GLY 22 1HA GLY 22 -17.082 11.689 0.587 169 2HA GLY 22 2HA GLY 22 -15.942 10.927 -0.550 170 H ASP 23 H ASP 23 -15.030 12.201 1.786 171 HA ASP 23 HA ASP 23 -14.428 15.004 1.297 172 1HB ASP 23 1HB ASP 23 -14.941 14.149 3.539 173 2HB ASP 23 2HB ASP 23 -13.515 13.097 3.478 174 H LYS 24 H LYS 24 -13.452 14.158 -0.841 175 HA LYS 24 HA LYS 24 -11.711 14.399 -2.226 176 1HB LYS 24 1HB LYS 24 -10.135 15.397 0.176 177 2HB LYS 24 2HB LYS 24 -9.768 15.655 -1.530 178 1HG LYS 24 1HG LYS 24 -11.981 16.835 -1.779 179 2HG LYS 24 2HG LYS 24 -12.183 16.747 -0.023 180 1HD LYS 24 1HD LYS 24 -9.862 18.102 -1.482 181 2HD LYS 24 2HD LYS 24 -11.268 18.921 -0.783 182 1HE LYS 24 1HE LYS 24 -10.628 18.036 1.480 183 2HE LYS 24 2HE LYS 24 -9.164 17.334 0.763 184 1HZ LYS 24 1HZ LYS 24 -9.839 20.182 0.774 185 2HZ LYS 24 2HZ LYS 24 -8.731 19.438 1.742 186 3HZ LYS 24 3HZ LYS 24 -8.486 19.506 0.113 187 H HIS 25 H HIS 25 -10.252 13.234 0.775 188 HA HIS 25 HA HIS 25 -8.534 11.254 -0.615 189 1HB HIS 25 1HB HIS 25 -8.623 12.338 2.225 190 2HB HIS 25 2HB HIS 25 -7.531 11.064 1.691 191 HD1 HIS 25 HD1 HIS 25 -7.813 14.815 1.615 192 HD2 HIS 25 HD2 HIS 25 -5.488 11.645 0.114 193 HE1 HIS 25 HE1 HIS 25 -5.581 15.821 0.881 194 H LYS 26 H LYS 26 -11.710 11.025 0.080 195 HA LYS 26 HA LYS 26 -11.483 8.446 1.492 196 1HB LYS 26 1HB LYS 26 -13.380 10.607 2.422 197 2HB LYS 26 2HB LYS 26 -13.049 9.036 3.175 198 1HG LYS 26 1HG LYS 26 -10.639 9.957 3.543 199 2HG LYS 26 2HG LYS 26 -11.315 11.535 3.107 200 1HD LYS 26 1HD LYS 26 -13.023 11.233 4.943 201 2HD LYS 26 2HD LYS 26 -12.225 9.706 5.380 202 1HE LYS 26 1HE LYS 26 -10.105 10.998 5.796 203 2HE LYS 26 2HE LYS 26 -10.988 12.496 5.431 204 1HZ LYS 26 1HZ LYS 26 -12.487 11.920 7.243 205 2HZ LYS 26 2HZ LYS 26 -11.550 10.616 7.611 206 3HZ LYS 26 3HZ LYS 26 -10.930 12.135 7.750 207 H LEU 27 H LEU 27 -13.118 7.011 1.110 208 HA LEU 27 HA LEU 27 -15.047 7.684 -1.085 209 1HB LEU 27 1HB LEU 27 -13.917 5.053 -0.067 210 2HB LEU 27 2HB LEU 27 -15.157 5.180 -1.313 211 HG LEU 27 HG LEU 27 -12.410 6.429 -1.635 212 1HD1 LEU 27 1HD1 LEU 27 -13.425 3.690 -2.517 213 2HD1 LEU 27 2HD1 LEU 27 -11.850 4.382 -2.942 214 3HD1 LEU 27 3HD1 LEU 27 -12.211 3.968 -1.252 215 1HD2 LEU 27 1HD2 LEU 27 -12.920 6.344 -4.018 216 2HD2 LEU 27 2HD2 LEU 27 -14.456 5.514 -3.710 217 3HD2 LEU 27 3HD2 LEU 27 -14.240 7.197 -3.195 218 H LYS 28 H LYS 28 -17.173 7.846 -0.492 219 HA LYS 28 HA LYS 28 -18.233 6.980 2.075 220 1HB LYS 28 1HB LYS 28 -19.514 7.704 -0.591 221 2HB LYS 28 2HB LYS 28 -20.443 7.436 0.883 222 1HG LYS 28 1HG LYS 28 -18.218 9.490 0.847 223 2HG LYS 28 2HG LYS 28 -19.797 9.826 0.111 224 1HD LYS 28 1HD LYS 28 -20.945 9.434 2.238 225 2HD LYS 28 2HD LYS 28 -19.445 8.882 2.999 226 1HE LYS 28 1HE LYS 28 -19.970 11.189 3.668 227 2HE LYS 28 2HE LYS 28 -18.453 11.125 2.762 228 1HZ LYS 28 1HZ LYS 28 -21.059 11.893 1.652 229 2HZ LYS 28 2HZ LYS 28 -19.845 12.927 2.067 230 3HZ LYS 28 3HZ LYS 28 -19.630 11.861 0.830 231 H LYS 29 H LYS 29 -20.201 5.357 2.012 232 HA LYS 29 HA LYS 29 -19.274 2.810 1.158 233 1HB LYS 29 1HB LYS 29 -21.457 1.970 1.737 234 2HB LYS 29 2HB LYS 29 -20.875 3.077 2.972 235 1HG LYS 29 1HG LYS 29 -22.360 4.866 2.032 236 2HG LYS 29 2HG LYS 29 -22.957 3.705 0.825 237 1HD LYS 29 1HD LYS 29 -23.693 2.186 2.663 238 2HD LYS 29 2HD LYS 29 -23.196 3.395 3.855 239 1HE LYS 29 1HE LYS 29 -25.325 3.770 1.684 240 2HE LYS 29 2HE LYS 29 -25.631 3.471 3.402 241 1HZ LYS 29 1HZ LYS 29 -25.809 5.769 2.897 242 2HZ LYS 29 2HZ LYS 29 -24.523 5.528 3.899 243 3HZ LYS 29 3HZ LYS 29 -24.277 5.827 2.296 244 H SER 30 H SER 30 -21.319 5.175 -0.563 245 HA SER 30 HA SER 30 -22.129 3.502 -2.718 246 1HB SER 30 1HB SER 30 -22.197 5.935 -3.771 247 2HB SER 30 2HB SER 30 -23.279 5.546 -2.419 248 HG SER 30 HG SER 30 -21.999 7.538 -2.199 249 H GLU 31 H GLU 31 -19.421 5.896 -2.335 250 HA GLU 31 HA GLU 31 -18.374 5.283 -4.927 251 1HB GLU 31 1HB GLU 31 -16.868 6.588 -2.621 252 2HB GLU 31 2HB GLU 31 -16.503 6.673 -4.357 253 1HG GLU 31 1HG GLU 31 -18.881 7.858 -2.910 254 2HG GLU 31 2HG GLU 31 -17.637 8.746 -3.796 255 H LEU 32 H LEU 32 -17.515 4.023 -1.692 256 HA LEU 32 HA LEU 32 -15.339 2.462 -2.587 257 1HB LEU 32 1HB LEU 32 -15.812 3.001 -0.241 258 2HB LEU 32 2HB LEU 32 -17.228 1.937 -0.256 259 HG LEU 32 HG LEU 32 -15.078 1.097 0.811 260 1HD1 LEU 32 1HD1 LEU 32 -15.364 -1.186 0.174 261 2HD1 LEU 32 2HD1 LEU 32 -16.956 -0.411 0.210 262 3HD1 LEU 32 3HD1 LEU 32 -16.162 -0.754 -1.339 263 1HD2 LEU 32 1HD2 LEU 32 -13.466 1.873 -0.823 264 2HD2 LEU 32 2HD2 LEU 32 -13.325 0.137 -0.506 265 3HD2 LEU 32 3HD2 LEU 32 -14.071 0.697 -2.009 266 H LYS 33 H LYS 33 -18.849 1.630 -2.255 267 HA LYS 33 HA LYS 33 -18.729 -1.025 -3.146 268 1HB LYS 33 1HB LYS 33 -20.745 -0.163 -2.312 269 2HB LYS 33 2HB LYS 33 -20.756 1.216 -3.386 270 1HG LYS 33 1HG LYS 33 -21.250 -0.270 -5.325 271 2HG LYS 33 2HG LYS 33 -21.276 -1.670 -4.237 272 1HD LYS 33 1HD LYS 33 -23.198 -0.670 -3.019 273 2HD LYS 33 2HD LYS 33 -23.026 0.828 -3.952 274 1HE LYS 33 1HE LYS 33 -24.850 -0.417 -4.920 275 2HE LYS 33 2HE LYS 33 -23.499 -0.455 -6.060 276 1HZ LYS 33 1HZ LYS 33 -24.316 -2.595 -4.211 277 2HZ LYS 33 2HZ LYS 33 -24.459 -2.583 -5.849 278 3HZ LYS 33 3HZ LYS 33 -22.968 -2.665 -5.154 279 H GLU 34 H GLU 34 -19.255 1.940 -5.135 280 HA GLU 34 HA GLU 34 -19.351 0.427 -7.541 281 1HB GLU 34 1HB GLU 34 -20.343 2.657 -7.467 282 2HB GLU 34 2HB GLU 34 -18.824 3.390 -6.942 283 1HG GLU 34 1HG GLU 34 -19.295 3.938 -9.270 284 2HG GLU 34 2HG GLU 34 -17.797 3.024 -9.125 285 H LEU 35 H LEU 35 -16.710 2.247 -5.970 286 HA LEU 35 HA LEU 35 -14.636 1.916 -7.799 287 1HB LEU 35 1HB LEU 35 -14.507 3.318 -5.871 288 2HB LEU 35 2HB LEU 35 -14.728 1.966 -4.773 289 HG LEU 35 HG LEU 35 -12.488 2.902 -4.772 290 1HD1 LEU 35 1HD1 LEU 35 -13.006 0.441 -4.273 291 2HD1 LEU 35 2HD1 LEU 35 -12.182 0.083 -5.814 292 3HD1 LEU 35 3HD1 LEU 35 -11.331 0.905 -4.510 293 1HD2 LEU 35 1HD2 LEU 35 -12.181 1.842 -7.597 294 2HD2 LEU 35 2HD2 LEU 35 -12.317 3.555 -7.139 295 3HD2 LEU 35 3HD2 LEU 35 -10.923 2.610 -6.597 296 H ILE 36 H ILE 36 -15.537 -0.392 -5.116 297 HA ILE 36 HA ILE 36 -13.513 -2.245 -5.922 298 HB ILE 36 HB ILE 36 -16.068 -2.823 -4.387 299 1HG1 ILE 36 1HG1 ILE 36 -14.597 -1.134 -3.264 300 2HG1 ILE 36 2HG1 ILE 36 -14.833 -2.625 -2.364 301 1HG2 ILE 36 1HG2 ILE 36 -15.170 -4.900 -5.227 302 2HG2 ILE 36 2HG2 ILE 36 -13.515 -4.432 -4.818 303 3HG2 ILE 36 3HG2 ILE 36 -14.673 -4.778 -3.528 304 1HD1 ILE 36 1HD1 ILE 36 -12.591 -3.369 -3.000 305 2HD1 ILE 36 2HD1 ILE 36 -12.342 -1.899 -3.966 306 3HD1 ILE 36 3HD1 ILE 36 -12.546 -1.786 -2.206 307 H ASN 37 H ASN 37 -17.043 -2.196 -6.641 308 HA ASN 37 HA ASN 37 -17.135 -4.561 -8.205 309 1HB ASN 37 1HB ASN 37 -18.730 -1.963 -8.332 310 2HB ASN 37 2HB ASN 37 -19.008 -3.297 -9.467 311 1HD2 ASN 37 2HD2 ASN 37 -19.186 -2.409 -6.027 312 2HD2 ASN 37 1HD2 ASN 37 -20.372 -3.658 -5.637 313 H ASN 38 H ASN 38 -16.457 -1.228 -9.193 314 HA ASN 38 HA ASN 38 -16.294 -1.720 -12.001 315 1HB ASN 38 1HB ASN 38 -16.820 0.444 -10.959 316 2HB ASN 38 2HB ASN 38 -15.205 0.514 -10.226 317 1HD2 ASN 38 1HD2 ASN 38 -17.080 1.187 -13.065 318 2HD2 ASN 38 2HD2 ASN 38 -15.740 1.784 -14.033 319 H GLU 39 H GLU 39 -13.740 -1.106 -9.508 320 HA GLU 39 HA GLU 39 -11.709 -1.541 -11.542 321 1HB GLU 39 1HB GLU 39 -11.570 -0.836 -8.595 322 2HB GLU 39 2HB GLU 39 -10.152 -1.085 -9.606 323 1HG GLU 39 1HG GLU 39 -12.337 0.957 -10.226 324 2HG GLU 39 2HG GLU 39 -10.821 1.328 -9.402 325 H LEU 40 H LEU 40 -12.825 -3.392 -8.629 326 HA LEU 40 HA LEU 40 -10.855 -5.519 -9.333 327 1HB LEU 40 1HB LEU 40 -12.674 -5.235 -6.917 328 2HB LEU 40 2HB LEU 40 -11.780 -6.682 -7.363 329 HG LEU 40 HG LEU 40 -9.647 -5.438 -7.307 330 1HD1 LEU 40 1HD1 LEU 40 -9.571 -3.438 -5.827 331 2HD1 LEU 40 2HD1 LEU 40 -10.481 -3.086 -7.302 332 3HD1 LEU 40 3HD1 LEU 40 -11.344 -3.409 -5.775 333 1HD2 LEU 40 1HD2 LEU 40 -11.318 -5.774 -4.784 334 2HD2 LEU 40 2HD2 LEU 40 -10.304 -7.002 -5.567 335 3HD2 LEU 40 3HD2 LEU 40 -9.552 -5.589 -4.809 336 H SER 41 H SER 41 -12.766 -4.941 -11.319 337 HA SER 41 HA SER 41 -15.209 -6.393 -11.130 338 1HB SER 41 1HB SER 41 -14.858 -6.164 -13.755 339 2HB SER 41 2HB SER 41 -15.167 -4.738 -12.757 340 HG SER 41 HG SER 41 -13.263 -4.012 -13.163 341 H HIS 42 H HIS 42 -11.928 -7.299 -11.948 342 HA HIS 42 HA HIS 42 -12.785 -9.990 -12.917 343 1HB HIS 42 1HB HIS 42 -10.056 -8.660 -13.079 344 2HB HIS 42 2HB HIS 42 -10.590 -10.137 -13.861 345 HD1 HIS 42 HD1 HIS 42 -12.020 -6.432 -13.984 346 HD2 HIS 42 HD2 HIS 42 -10.880 -9.722 -16.381 347 HE1 HIS 42 HE1 HIS 42 -12.364 -5.741 -16.384 348 H PHE 43 H PHE 43 -10.708 -8.271 -10.607 349 HA PHE 43 HA PHE 43 -9.577 -10.527 -9.322 350 1HB PHE 43 1HB PHE 43 -9.774 -7.605 -8.790 351 2HB PHE 43 2HB PHE 43 -9.598 -8.586 -7.362 352 HD1 PHE 43 HD1 PHE 43 -8.109 -8.751 -10.844 353 HD2 PHE 43 HD2 PHE 43 -7.400 -8.647 -6.594 354 HE1 PHE 43 HE1 PHE 43 -5.665 -8.737 -11.246 355 HE2 PHE 43 HE2 PHE 43 -4.948 -8.622 -6.992 356 HZ PHE 43 HZ PHE 43 -4.089 -8.618 -9.343 357 H LEU 44 H LEU 44 -12.601 -8.695 -8.431 358 HA LEU 44 HA LEU 44 -13.171 -10.861 -6.477 359 1HB LEU 44 1HB LEU 44 -12.630 -8.115 -5.919 360 2HB LEU 44 2HB LEU 44 -14.383 -8.275 -5.845 361 HG LEU 44 HG LEU 44 -13.965 -10.331 -4.388 362 1HD1 LEU 44 1HD1 LEU 44 -11.176 -9.095 -4.236 363 2HD1 LEU 44 2HD1 LEU 44 -11.783 -10.390 -3.183 364 3HD1 LEU 44 3HD1 LEU 44 -11.557 -10.691 -4.909 365 1HD2 LEU 44 1HD2 LEU 44 -13.099 -7.583 -3.389 366 2HD2 LEU 44 2HD2 LEU 44 -14.751 -8.243 -3.420 367 3HD2 LEU 44 3HD2 LEU 44 -13.544 -8.948 -2.337 368 H GLU 45 H GLU 45 -15.494 -10.889 -5.834 369 HA GLU 45 HA GLU 45 -17.127 -11.206 -8.217 370 1HB GLU 45 1HB GLU 45 -17.934 -11.262 -5.287 371 2HB GLU 45 2HB GLU 45 -18.861 -11.912 -6.636 372 1HG GLU 45 1HG GLU 45 -16.170 -12.985 -5.641 373 2HG GLU 45 2HG GLU 45 -17.759 -13.701 -5.376 374 H GLU 46 H GLU 46 -19.262 -10.165 -8.406 375 HA GLU 46 HA GLU 46 -19.231 -7.304 -8.107 376 1HB GLU 46 1HB GLU 46 -20.430 -8.435 -9.956 377 2HB GLU 46 2HB GLU 46 -21.403 -9.362 -8.799 378 1HG GLU 46 1HG GLU 46 -22.470 -7.264 -8.007 379 2HG GLU 46 2HG GLU 46 -21.539 -6.353 -9.217 380 H ILE 47 H ILE 47 -20.036 -6.103 -6.528 381 HA ILE 47 HA ILE 47 -21.046 -7.457 -4.067 382 HB ILE 47 HB ILE 47 -19.558 -4.831 -3.965 383 1HG1 ILE 47 1HG1 ILE 47 -18.405 -7.587 -4.370 384 2HG1 ILE 47 2HG1 ILE 47 -18.066 -6.107 -5.298 385 1HG2 ILE 47 1HG2 ILE 47 -19.127 -5.576 -1.714 386 2HG2 ILE 47 2HG2 ILE 47 -20.840 -5.901 -2.024 387 3HG2 ILE 47 3HG2 ILE 47 -19.670 -7.226 -2.084 388 1HD1 ILE 47 1HD1 ILE 47 -17.173 -6.715 -2.469 389 2HD1 ILE 47 2HD1 ILE 47 -16.214 -6.568 -3.955 390 3HD1 ILE 47 3HD1 ILE 47 -17.017 -5.127 -3.278 391 H LYS 48 H LYS 48 -23.153 -7.260 -4.522 392 HA LYS 48 HA LYS 48 -24.398 -4.779 -5.382 393 1HB LYS 48 1HB LYS 48 -25.010 -7.111 -6.084 394 2HB LYS 48 2HB LYS 48 -25.650 -7.382 -4.455 395 1HG LYS 48 1HG LYS 48 -27.112 -5.244 -4.928 396 2HG LYS 48 2HG LYS 48 -26.629 -5.486 -6.613 397 1HD LYS 48 1HD LYS 48 -28.233 -7.336 -4.799 398 2HD LYS 48 2HD LYS 48 -28.726 -6.596 -6.331 399 1HE LYS 48 1HE LYS 48 -26.886 -8.000 -7.453 400 2HE LYS 48 2HE LYS 48 -26.698 -8.840 -5.899 401 1HZ LYS 48 1HZ LYS 48 -28.160 -10.005 -7.356 402 2HZ LYS 48 2HZ LYS 48 -28.992 -9.478 -6.034 403 3HZ LYS 48 3HZ LYS 48 -29.166 -8.707 -7.481 404 H GLU 49 H GLU 49 -24.626 -6.940 -2.570 405 HA GLU 49 HA GLU 49 -26.611 -5.643 -1.199 406 1HB GLU 49 1HB GLU 49 -25.821 -7.976 -0.907 407 2HB GLU 49 2HB GLU 49 -24.402 -7.378 -0.029 408 1HG GLU 49 1HG GLU 49 -25.932 -6.370 1.669 409 2HG GLU 49 2HG GLU 49 -27.328 -7.011 0.781 410 H GLN 50 H GLN 50 -26.477 -3.488 -0.703 411 HA GLN 50 HA GLN 50 -24.288 -1.959 0.002 412 1HB GLN 50 1HB GLN 50 -27.202 -1.632 0.813 413 2HB GLN 50 2HB GLN 50 -25.938 -0.455 1.166 414 1HG GLN 50 1HG GLN 50 -26.963 0.339 -0.784 415 2HG GLN 50 2HG GLN 50 -25.396 -0.299 -1.285 416 1HE2 GLN 50 1HE2 GLN 50 -26.647 -0.144 -3.444 417 2HE2 GLN 50 2HE2 GLN 50 -27.569 -1.570 -3.892 418 H GLU 51 H GLU 51 -26.247 -3.997 2.166 419 HA GLU 51 HA GLU 51 -25.179 -3.112 4.624 420 1HB GLU 51 1HB GLU 51 -25.886 -6.016 3.985 421 2HB GLU 51 2HB GLU 51 -25.835 -5.210 5.545 422 1HG GLU 51 1HG GLU 51 -28.087 -5.145 5.195 423 2HG GLU 51 2HG GLU 51 -27.665 -3.597 4.459 424 H VAL 52 H VAL 52 -23.833 -5.378 2.193 425 HA VAL 52 HA VAL 52 -21.596 -6.122 3.916 426 HB VAL 52 HB VAL 52 -22.085 -6.666 0.962 427 1HG1 VAL 52 1HG1 VAL 52 -20.284 -8.409 1.388 428 2HG1 VAL 52 2HG1 VAL 52 -19.689 -6.751 1.408 429 3HG1 VAL 52 3HG1 VAL 52 -19.954 -7.624 2.933 430 1HG2 VAL 52 1HG2 VAL 52 -22.294 -8.472 3.404 431 2HG2 VAL 52 2HG2 VAL 52 -23.699 -7.731 2.621 432 3HG2 VAL 52 3HG2 VAL 52 -22.715 -8.889 1.725 433 H VAL 53 H VAL 53 -22.105 -3.949 1.026 434 HA VAL 53 HA VAL 53 -19.411 -3.209 0.860 435 HB VAL 53 HB VAL 53 -19.916 -1.601 -0.556 436 1HG1 VAL 53 1HG1 VAL 53 -21.573 -2.355 -2.072 437 2HG1 VAL 53 2HG1 VAL 53 -20.888 -3.763 -1.259 438 3HG1 VAL 53 3HG1 VAL 53 -22.492 -3.148 -0.805 439 1HG2 VAL 53 1HG2 VAL 53 -22.146 -0.343 -0.702 440 2HG2 VAL 53 2HG2 VAL 53 -22.467 -0.936 0.908 441 3HG2 VAL 53 3HG2 VAL 53 -21.038 0.062 0.615 442 H ASP 54 H ASP 54 -22.039 -1.797 2.799 443 HA ASP 54 HA ASP 54 -20.619 0.177 4.210 444 1HB ASP 54 1HB ASP 54 -23.064 -0.040 4.222 445 2HB ASP 54 2HB ASP 54 -22.944 -1.547 5.144 446 H LYS 55 H LYS 55 -21.158 -3.329 5.072 447 HA LYS 55 HA LYS 55 -19.748 -3.199 7.488 448 1HB LYS 55 1HB LYS 55 -21.184 -5.110 6.655 449 2HB LYS 55 2HB LYS 55 -19.815 -5.602 5.642 450 1HG LYS 55 1HG LYS 55 -18.435 -5.647 7.867 451 2HG LYS 55 2HG LYS 55 -19.982 -5.413 8.682 452 1HD LYS 55 1HD LYS 55 -19.490 -7.742 8.724 453 2HD LYS 55 2HD LYS 55 -20.811 -7.532 7.564 454 1HE LYS 55 1HE LYS 55 -19.252 -7.757 5.681 455 2HE LYS 55 2HE LYS 55 -17.853 -7.684 6.770 456 1HZ LYS 55 1HZ LYS 55 -18.527 -9.747 7.704 457 2HZ LYS 55 2HZ LYS 55 -19.895 -9.795 6.789 458 3HZ LYS 55 3HZ LYS 55 -18.411 -9.914 6.069 459 H VAL 56 H VAL 56 -18.434 -4.066 4.207 460 HA VAL 56 HA VAL 56 -15.838 -4.615 5.287 461 HB VAL 56 HB VAL 56 -14.983 -4.713 3.056 462 1HG1 VAL 56 1HG1 VAL 56 -16.221 -6.644 3.959 463 2HG1 VAL 56 2HG1 VAL 56 -17.722 -6.043 3.222 464 3HG1 VAL 56 3HG1 VAL 56 -16.363 -6.529 2.197 465 1HG2 VAL 56 1HG2 VAL 56 -17.673 -3.718 2.099 466 2HG2 VAL 56 2HG2 VAL 56 -16.135 -2.844 1.951 467 3HG2 VAL 56 3HG2 VAL 56 -16.383 -4.354 1.068 468 H MET 57 H MET 57 -17.213 -1.610 3.837 469 HA MET 57 HA MET 57 -14.678 -0.244 4.106 470 1HB MET 57 1HB MET 57 -15.810 1.755 3.511 471 2HB MET 57 2HB MET 57 -16.300 0.398 2.501 472 1HG MET 57 1HG MET 57 -18.344 1.238 2.780 473 2HG MET 57 2HG MET 57 -18.297 0.227 4.207 474 1HE MET 57 1HE MET 57 -17.763 3.647 2.709 475 2HE MET 57 2HE MET 57 -18.035 4.768 4.064 476 3HE MET 57 3HE MET 57 -16.502 3.868 3.934 477 H GLU 58 H GLU 58 -17.593 -0.396 6.229 478 HA GLU 58 HA GLU 58 -16.690 1.274 8.290 479 1HB GLU 58 1HB GLU 58 -18.944 0.370 8.199 480 2HB GLU 58 2HB GLU 58 -18.346 -1.284 8.440 481 1HG GLU 58 1HG GLU 58 -17.582 -0.744 10.692 482 2HG GLU 58 2HG GLU 58 -17.927 0.970 10.430 483 H THR 59 H THR 59 -16.071 -2.178 7.743 484 HA THR 59 HA THR 59 -14.579 -2.821 10.010 485 HB THR 59 HB THR 59 -14.513 -3.807 7.140 486 HG1 THR 59 HG1 THR 59 -16.304 -4.266 8.289 487 1HG2 THR 59 1HG2 THR 59 -13.305 -5.814 7.888 488 2HG2 THR 59 2HG2 THR 59 -12.305 -4.373 7.780 489 3HG2 THR 59 3HG2 THR 59 -12.852 -4.956 9.380 490 H LEU 60 H LEU 60 -13.521 -0.947 7.162 491 HA LEU 60 HA LEU 60 -10.757 -0.787 8.326 492 1HB LEU 60 1HB LEU 60 -11.680 -0.135 5.529 493 2HB LEU 60 2HB LEU 60 -10.013 -0.183 6.137 494 HG LEU 60 HG LEU 60 -11.848 -2.601 5.848 495 1HD1 LEU 60 1HD1 LEU 60 -10.981 -1.739 3.727 496 2HD1 LEU 60 2HD1 LEU 60 -9.324 -1.733 4.382 497 3HD1 LEU 60 3HD1 LEU 60 -10.187 -3.271 4.157 498 1HD2 LEU 60 1HD2 LEU 60 -8.974 -2.368 6.860 499 2HD2 LEU 60 2HD2 LEU 60 -10.379 -2.904 7.805 500 3HD2 LEU 60 3HD2 LEU 60 -9.795 -3.894 6.463 501 H ASP 61 H ASP 61 -13.520 0.872 8.644 502 HA ASP 61 HA ASP 61 -12.638 3.539 7.907 503 1HB ASP 61 1HB ASP 61 -14.987 3.011 7.921 504 2HB ASP 61 2HB ASP 61 -14.921 2.571 9.637 505 H SER 62 H SER 62 -10.484 3.106 9.009 506 HA SER 62 HA SER 62 -10.003 3.166 11.762 507 1HB SER 62 1HB SER 62 -7.835 4.179 11.121 508 2HB SER 62 2HB SER 62 -8.282 2.869 10.005 509 HG SER 62 HG SER 62 -7.620 4.665 8.824 510 H ASP 63 H ASP 63 -10.773 5.781 9.540 511 HA ASP 63 HA ASP 63 -10.320 7.972 11.276 512 1HB ASP 63 1HB ASP 63 -12.273 7.778 8.938 513 2HB ASP 63 2HB ASP 63 -11.583 9.260 9.615 514 H GLY 64 H GLY 64 -12.906 5.638 11.365 515 1HA GLY 64 1HA GLY 64 -14.979 5.608 12.318 516 2HA GLY 64 2HA GLY 64 -14.359 6.810 13.461 517 H ASP 65 H ASP 65 -14.696 7.182 9.916 518 HA ASP 65 HA ASP 65 -16.473 9.554 10.358 519 1HB ASP 65 1HB ASP 65 -14.061 9.996 9.767 520 2HB ASP 65 2HB ASP 65 -14.300 9.079 8.268 521 H GLY 66 H GLY 66 -16.778 6.466 9.544 522 1HA GLY 66 1HA GLY 66 -18.181 5.294 8.193 523 2HA GLY 66 2HA GLY 66 -18.812 6.790 7.484 524 H GLU 67 H GLU 67 -17.133 7.992 6.162 525 HA GLU 67 HA GLU 67 -16.530 6.391 3.921 526 1HB GLU 67 1HB GLU 67 -15.410 8.407 2.996 527 2HB GLU 67 2HB GLU 67 -17.083 8.616 3.519 528 1HG GLU 67 1HG GLU 67 -16.306 9.701 5.623 529 2HG GLU 67 2HG GLU 67 -14.636 9.518 5.088 530 H CYS 68 H CYS 68 -14.756 5.425 3.131 531 HA CYS 68 HA CYS 68 -12.676 4.771 5.133 532 1HB CYS 68 1HB CYS 68 -13.862 3.432 2.787 533 2HB CYS 68 2HB CYS 68 -12.080 3.415 2.723 534 HG CYS 68 HG CYS 68 -13.943 2.514 5.280 535 H ASP 69 H ASP 69 -10.657 5.690 5.137 536 HA ASP 69 HA ASP 69 -10.170 7.834 3.242 537 1HB ASP 69 1HB ASP 69 -9.646 8.156 5.576 538 2HB ASP 69 2HB ASP 69 -8.534 6.766 5.575 539 H PHE 70 H PHE 70 -8.251 8.053 1.954 540 HA PHE 70 HA PHE 70 -7.632 6.030 0.256 541 1HB PHE 70 1HB PHE 70 -6.957 8.391 -0.043 542 2HB PHE 70 2HB PHE 70 -5.735 8.216 1.203 543 HD1 PHE 70 HD1 PHE 70 -6.858 6.310 -1.838 544 HD2 PHE 70 HD2 PHE 70 -3.504 7.816 0.385 545 HE1 PHE 70 HE1 PHE 70 -5.382 5.793 -3.753 546 HE2 PHE 70 HE2 PHE 70 -1.999 7.095 -1.427 547 HZ PHE 70 HZ PHE 70 -2.948 6.114 -3.541 548 H GLN 71 H GLN 71 -5.906 6.684 3.335 549 HA GLN 71 HA GLN 71 -3.896 4.741 3.084 550 1HB GLN 71 1HB GLN 71 -3.948 6.404 4.873 551 2HB GLN 71 2HB GLN 71 -5.441 5.714 5.526 552 1HG GLN 71 1HG GLN 71 -3.549 5.081 6.886 553 2HG GLN 71 2HG GLN 71 -4.259 3.649 6.157 554 1HE2 GLN 71 1HE2 GLN 71 -3.107 2.748 4.169 555 2HE2 GLN 71 2HE2 GLN 71 -1.353 2.971 4.108 556 H GLU 72 H GLU 72 -7.311 4.383 4.020 557 HA GLU 72 HA GLU 72 -7.023 1.629 4.958 558 1HB GLU 72 1HB GLU 72 -9.532 3.293 4.412 559 2HB GLU 72 2HB GLU 72 -9.420 1.806 5.347 560 1HG GLU 72 1HG GLU 72 -8.146 4.494 6.072 561 2HG GLU 72 2HG GLU 72 -9.480 3.719 6.880 562 H PHE 73 H PHE 73 -8.304 3.329 2.121 563 HA PHE 73 HA PHE 73 -9.060 1.053 0.563 564 1HB PHE 73 1HB PHE 73 -9.662 3.076 -0.349 565 2HB PHE 73 2HB PHE 73 -8.125 3.844 -0.011 566 HD1 PHE 73 HD1 PHE 73 -6.212 3.660 -1.517 567 HD2 PHE 73 HD2 PHE 73 -9.967 1.745 -2.431 568 HE1 PHE 73 HE1 PHE 73 -5.521 3.428 -3.887 569 HE2 PHE 73 HE2 PHE 73 -9.346 1.732 -4.838 570 HZ PHE 73 HZ PHE 73 -7.148 2.581 -5.573 571 H MET 74 H MET 74 -5.847 2.687 0.875 572 HA MET 74 HA MET 74 -4.490 0.795 -0.738 573 1HB MET 74 1HB MET 74 -3.435 2.713 1.365 574 2HB MET 74 2HB MET 74 -2.428 1.633 0.402 575 1HG MET 74 1HG MET 74 -3.789 2.699 -1.650 576 2HG MET 74 2HG MET 74 -4.033 4.009 -0.496 577 1HE MET 74 1HE MET 74 -1.578 1.917 -2.633 578 2HE MET 74 2HE MET 74 -0.014 2.697 -2.327 579 3HE MET 74 3HE MET 74 -0.757 1.679 -1.077 580 H ALA 75 H ALA 75 -5.145 0.757 2.754 581 HA ALA 75 HA ALA 75 -3.636 -1.602 3.313 582 1HB ALA 75 1HB ALA 75 -4.623 -0.149 5.060 583 2HB ALA 75 2HB ALA 75 -6.241 -0.752 4.639 584 3HB ALA 75 3HB ALA 75 -5.023 -1.864 5.278 585 H PHE 76 H PHE 76 -7.001 -1.213 2.123 586 HA PHE 76 HA PHE 76 -7.649 -4.014 2.123 587 1HB PHE 76 1HB PHE 76 -9.364 -2.319 2.000 588 2HB PHE 76 2HB PHE 76 -8.767 -1.740 0.460 589 HD1 PHE 76 HD1 PHE 76 -10.748 -4.393 2.182 590 HD2 PHE 76 HD2 PHE 76 -9.072 -3.051 -1.591 591 HE1 PHE 76 HE1 PHE 76 -12.245 -5.913 0.948 592 HE2 PHE 76 HE2 PHE 76 -10.560 -4.606 -2.791 593 HZ PHE 76 HZ PHE 76 -12.183 -6.000 -1.551 594 H VAL 77 H VAL 77 -6.512 -1.799 -0.458 595 HA VAL 77 HA VAL 77 -6.096 -3.689 -2.507 596 HB VAL 77 HB VAL 77 -4.710 -1.098 -1.803 597 1HG1 VAL 77 1HG1 VAL 77 -4.390 -2.794 -4.323 598 2HG1 VAL 77 2HG1 VAL 77 -3.874 -1.104 -4.181 599 3HG1 VAL 77 3HG1 VAL 77 -3.104 -2.338 -3.183 600 1HG2 VAL 77 1HG2 VAL 77 -7.135 -0.983 -2.486 601 2HG2 VAL 77 2HG2 VAL 77 -6.063 -0.186 -3.644 602 3HG2 VAL 77 3HG2 VAL 77 -6.714 -1.798 -4.002 603 H ALA 78 H ALA 78 -3.912 -2.776 0.233 604 HA ALA 78 HA ALA 78 -1.711 -4.302 -0.622 605 1HB ALA 78 1HB ALA 78 -1.562 -2.636 1.169 606 2HB ALA 78 2HB ALA 78 -2.507 -3.693 2.247 607 3HB ALA 78 3HB ALA 78 -0.914 -4.205 1.667 608 H MET 79 H MET 79 -4.383 -5.336 1.635 609 HA MET 79 HA MET 79 -3.344 -7.985 1.883 610 1HB MET 79 1HB MET 79 -5.567 -8.716 2.576 611 2HB MET 79 2HB MET 79 -4.985 -7.303 3.470 612 1HG MET 79 1HG MET 79 -6.503 -5.876 2.269 613 2HG MET 79 2HG MET 79 -6.960 -7.197 1.164 614 1HE MET 79 1HE MET 79 -8.547 -6.718 5.423 615 2HE MET 79 2HE MET 79 -6.800 -6.961 5.141 616 3HE MET 79 3HE MET 79 -7.607 -5.487 4.545 617 H ILE 80 H ILE 80 -5.651 -6.634 -0.484 618 HA ILE 80 HA ILE 80 -6.267 -9.047 -1.843 619 HB ILE 80 HB ILE 80 -6.085 -6.172 -2.816 620 1HG1 ILE 80 1HG1 ILE 80 -7.738 -6.801 -0.919 621 2HG1 ILE 80 2HG1 ILE 80 -8.297 -5.869 -2.309 622 1HG2 ILE 80 1HG2 ILE 80 -5.992 -7.544 -4.788 623 2HG2 ILE 80 2HG2 ILE 80 -7.314 -8.574 -4.200 624 3HG2 ILE 80 3HG2 ILE 80 -7.616 -6.880 -4.654 625 1HD1 ILE 80 1HD1 ILE 80 -8.657 -8.872 -2.018 626 2HD1 ILE 80 2HD1 ILE 80 -9.842 -7.647 -1.507 627 3HD1 ILE 80 3HD1 ILE 80 -9.419 -7.802 -3.221 628 H THR 81 H THR 81 -3.816 -6.573 -2.619 629 HA THR 81 HA THR 81 -2.707 -7.860 -4.867 630 HB THR 81 HB THR 81 -1.333 -5.977 -2.882 631 HG1 THR 81 HG1 THR 81 -3.185 -5.035 -3.692 632 1HG2 THR 81 1HG2 THR 81 0.189 -7.117 -4.593 633 2HG2 THR 81 2HG2 THR 81 -0.740 -6.326 -5.854 634 3HG2 THR 81 3HG2 THR 81 0.123 -5.338 -4.679 635 H THR 82 H THR 82 -1.827 -8.012 -1.357 636 HA THR 82 HA THR 82 0.469 -9.668 -1.689 637 HB THR 82 HB THR 82 -1.433 -9.469 0.687 638 HG1 THR 82 HG1 THR 82 -0.541 -7.487 0.125 639 1HG2 THR 82 1HG2 THR 82 0.498 -10.215 2.009 640 2HG2 THR 82 2HG2 THR 82 0.115 -11.449 0.805 641 3HG2 THR 82 3HG2 THR 82 1.480 -10.345 0.536 642 H ALA 83 H ALA 83 -2.993 -10.566 -1.038 643 HA ALA 83 HA ALA 83 -2.539 -13.369 -1.040 644 1HB ALA 83 1HB ALA 83 -4.992 -11.806 -1.972 645 2HB ALA 83 2HB ALA 83 -4.950 -13.536 -1.585 646 3HB ALA 83 3HB ALA 83 -4.653 -12.335 -0.311 647 H CYS 84 H CYS 84 -3.331 -11.135 -3.744 648 HA CYS 84 HA CYS 84 -3.253 -13.110 -5.791 649 1HB CYS 84 1HB CYS 84 -4.261 -10.967 -6.171 650 2HB CYS 84 2HB CYS 84 -2.685 -10.147 -6.016 651 HG CYS 84 HG CYS 84 -3.549 -10.470 -8.560 652 H HIS 85 H HIS 85 -0.584 -11.199 -4.349 653 HA HIS 85 HA HIS 85 1.439 -12.013 -6.131 654 1HB HIS 85 1HB HIS 85 1.494 -10.206 -4.286 655 2HB HIS 85 2HB HIS 85 1.851 -11.507 -3.151 656 HD1 HIS 85 HD1 HIS 85 3.555 -9.136 -5.321 657 HD2 HIS 85 HD2 HIS 85 4.056 -13.157 -4.248 658 HE1 HIS 85 HE1 HIS 85 5.860 -9.838 -6.169 659 H GLU 86 H GLU 86 0.397 -13.369 -2.986 660 HA GLU 86 HA GLU 86 2.176 -15.541 -2.940 661 1HB GLU 86 1HB GLU 86 -0.614 -15.239 -1.757 662 2HB GLU 86 2HB GLU 86 0.449 -16.589 -1.364 663 1HG GLU 86 1HG GLU 86 1.343 -13.692 -0.967 664 2HG GLU 86 2HG GLU 86 0.415 -14.565 0.245 665 H PHE 87 H PHE 87 -1.124 -15.380 -4.319 666 HA PHE 87 HA PHE 87 -1.261 -18.044 -5.355 667 1HB PHE 87 1HB PHE 87 -3.273 -17.003 -5.649 668 2HB PHE 87 2HB PHE 87 -2.552 -15.423 -5.888 669 HD1 PHE 87 HD1 PHE 87 -3.115 -14.407 -7.888 670 HD2 PHE 87 HD2 PHE 87 -2.457 -18.668 -7.834 671 HE1 PHE 87 HE1 PHE 87 -3.533 -14.505 -10.316 672 HE2 PHE 87 HE2 PHE 87 -2.901 -18.765 -10.261 673 HZ PHE 87 HZ PHE 87 -3.424 -16.682 -11.518 674 H PHE 88 H PHE 88 -0.198 -15.056 -6.915 675 HA PHE 88 HA PHE 88 0.364 -16.093 -9.427 676 1HB PHE 88 1HB PHE 88 -0.006 -13.788 -8.880 677 2HB PHE 88 2HB PHE 88 1.476 -13.705 -7.908 678 HD1 PHE 88 HD1 PHE 88 3.673 -13.477 -8.923 679 HD2 PHE 88 HD2 PHE 88 0.115 -13.797 -11.329 680 HE1 PHE 88 HE1 PHE 88 4.899 -12.509 -10.855 681 HE2 PHE 88 HE2 PHE 88 1.350 -12.829 -13.273 682 HZ PHE 88 HZ PHE 88 3.737 -12.178 -13.027 683 H GLU 89 H GLU 89 2.556 -15.791 -6.604 684 HA GLU 89 HA GLU 89 4.791 -17.024 -8.057 685 1HB GLU 89 1HB GLU 89 4.325 -16.585 -5.075 686 2HB GLU 89 2HB GLU 89 5.802 -17.235 -5.815 687 1HG GLU 89 1HG GLU 89 5.877 -15.123 -7.249 688 2HG GLU 89 2HG GLU 89 4.605 -14.460 -6.224 689 H HIS 90 H HIS 90 2.531 -18.201 -5.466 690 HA HIS 90 HA HIS 90 3.583 -20.931 -5.888 691 1HB HIS 90 1HB HIS 90 1.493 -19.954 -3.921 692 2HB HIS 90 2HB HIS 90 2.369 -21.490 -3.898 693 HD1 HIS 90 HD1 HIS 90 2.782 -17.810 -3.085 694 HD2 HIS 90 HD2 HIS 90 5.111 -21.296 -3.359 695 HE1 HIS 90 HE1 HIS 90 5.082 -17.247 -2.073 696 H GLU 91 H GLU 91 2.728 -20.672 -8.161 697 HA GLU 91 HA GLU 91 -0.004 -20.830 -8.769 698 1HB GLU 91 1HB GLU 91 0.767 -21.808 -10.896 699 2HB GLU 91 2HB GLU 91 1.664 -20.358 -10.438 700 1HG GLU 91 1HG GLU 91 3.583 -21.731 -9.711 701 2HG GLU 91 2HG GLU 91 2.671 -23.216 -10.022 702 1H SER 1 1H SER 1 -11.067 -2.821 -13.916 703 2H SER 1 2H SER 1 -9.975 -2.964 -12.692 704 3H SER 1 3H SER 1 -10.318 -1.475 -13.327 705 HA SER 1 HA SER 1 -8.940 -3.714 -14.603 706 1HB SER 1 1HB SER 1 -9.887 -1.198 -16.017 707 2HB SER 1 2HB SER 1 -9.051 -2.604 -16.729 708 HG SER 1 HG SER 1 -11.348 -2.729 -16.968 709 H GLU 2 H GLU 2 -8.947 -0.221 -13.954 710 HA GLU 2 HA GLU 2 -6.203 0.204 -14.648 711 1HB GLU 2 1HB GLU 2 -7.875 1.891 -12.735 712 2HB GLU 2 2HB GLU 2 -6.475 2.390 -13.694 713 1HG GLU 2 1HG GLU 2 -9.271 1.685 -14.701 714 2HG GLU 2 2HG GLU 2 -8.463 3.248 -14.744 715 H LEU 3 H LEU 3 -7.843 -0.139 -11.461 716 HA LEU 3 HA LEU 3 -5.371 -0.125 -9.976 717 1HB LEU 3 1HB LEU 3 -7.985 -1.456 -9.192 718 2HB LEU 3 2HB LEU 3 -6.618 -1.069 -8.132 719 HG LEU 3 HG LEU 3 -8.432 0.933 -9.543 720 1HD1 LEU 3 1HD1 LEU 3 -9.359 -0.164 -7.506 721 2HD1 LEU 3 2HD1 LEU 3 -7.919 0.327 -6.599 722 3HD1 LEU 3 3HD1 LEU 3 -9.023 1.557 -7.249 723 1HD2 LEU 3 1HD2 LEU 3 -5.939 1.407 -7.875 724 2HD2 LEU 3 2HD2 LEU 3 -6.216 1.925 -9.555 725 3HD2 LEU 3 3HD2 LEU 3 -7.144 2.656 -8.246 726 H GLU 4 H GLU 4 -7.293 -2.786 -11.440 727 HA GLU 4 HA GLU 4 -5.726 -4.920 -10.436 728 1HB GLU 4 1HB GLU 4 -7.202 -4.683 -13.076 729 2HB GLU 4 2HB GLU 4 -6.536 -6.183 -12.418 730 1HG GLU 4 1HG GLU 4 -7.947 -6.027 -10.428 731 2HG GLU 4 2HG GLU 4 -8.563 -4.462 -10.937 732 H LYS 5 H LYS 5 -5.220 -2.834 -13.318 733 HA LYS 5 HA LYS 5 -2.984 -4.267 -14.335 734 1HB LYS 5 1HB LYS 5 -4.197 -2.717 -15.717 735 2HB LYS 5 2HB LYS 5 -3.808 -1.363 -14.655 736 1HG LYS 5 1HG LYS 5 -2.452 -1.362 -16.691 737 2HG LYS 5 2HG LYS 5 -1.450 -1.474 -15.243 738 1HD LYS 5 1HD LYS 5 -1.118 -3.892 -15.608 739 2HD LYS 5 2HD LYS 5 -2.250 -3.861 -16.979 740 1HE LYS 5 1HE LYS 5 -0.724 -2.325 -18.194 741 2HE LYS 5 2HE LYS 5 0.382 -2.313 -16.803 742 1HZ LYS 5 1HZ LYS 5 -0.337 -4.677 -18.390 743 2HZ LYS 5 2HZ LYS 5 1.077 -3.838 -18.490 744 3HZ LYS 5 3HZ LYS 5 0.700 -4.653 -17.109 745 H ALA 6 H ALA 6 -3.221 -1.348 -12.277 746 HA ALA 6 HA ALA 6 -0.495 -0.913 -11.742 747 1HB ALA 6 1HB ALA 6 -2.941 -0.520 -9.967 748 2HB ALA 6 2HB ALA 6 -1.367 0.247 -9.708 749 3HB ALA 6 3HB ALA 6 -2.320 0.624 -11.161 750 H VAL 7 H VAL 7 -2.817 -2.931 -9.975 751 HA VAL 7 HA VAL 7 -1.151 -3.931 -7.929 752 HB VAL 7 HB VAL 7 -3.716 -4.788 -9.271 753 1HG1 VAL 7 1HG1 VAL 7 -4.162 -6.421 -7.606 754 2HG1 VAL 7 2HG1 VAL 7 -2.729 -6.910 -8.528 755 3HG1 VAL 7 3HG1 VAL 7 -2.565 -6.234 -6.891 756 1HG2 VAL 7 1HG2 VAL 7 -3.095 -3.852 -6.439 757 2HG2 VAL 7 2HG2 VAL 7 -3.639 -2.777 -7.723 758 3HG2 VAL 7 3HG2 VAL 7 -4.703 -4.076 -7.155 759 H VAL 8 H VAL 8 -2.001 -5.553 -11.109 760 HA VAL 8 HA VAL 8 -0.168 -7.675 -10.522 761 HB VAL 8 HB VAL 8 -0.343 -8.423 -12.769 762 1HG1 VAL 8 1HG1 VAL 8 -2.112 -8.977 -11.162 763 2HG1 VAL 8 2HG1 VAL 8 -3.046 -7.555 -11.668 764 3HG1 VAL 8 3HG1 VAL 8 -2.742 -8.871 -12.815 765 1HG2 VAL 8 1HG2 VAL 8 -1.740 -7.309 -14.454 766 2HG2 VAL 8 2HG2 VAL 8 -1.917 -5.916 -13.379 767 3HG2 VAL 8 3HG2 VAL 8 -0.325 -6.328 -14.041 768 H ALA 9 H ALA 9 0.312 -4.519 -12.139 769 HA ALA 9 HA ALA 9 2.960 -5.013 -13.042 770 1HB ALA 9 1HB ALA 9 3.242 -2.588 -13.017 771 2HB ALA 9 2HB ALA 9 1.660 -3.030 -13.691 772 3HB ALA 9 3HB ALA 9 1.778 -2.389 -12.040 773 H LEU 10 H LEU 10 1.826 -3.670 -9.880 774 HA LEU 10 HA LEU 10 4.355 -3.495 -8.611 775 1HB LEU 10 1HB LEU 10 1.555 -4.036 -7.581 776 2HB LEU 10 2HB LEU 10 2.923 -3.973 -6.480 777 HG LEU 10 HG LEU 10 2.484 -1.669 -8.389 778 1HD1 LEU 10 1HD1 LEU 10 1.078 -0.587 -6.647 779 2HD1 LEU 10 2HD1 LEU 10 0.288 -2.021 -7.330 780 3HD1 LEU 10 3HD1 LEU 10 1.067 -2.112 -5.733 781 1HD2 LEU 10 1HD2 LEU 10 3.559 -0.402 -6.595 782 2HD2 LEU 10 2HD2 LEU 10 3.463 -1.786 -5.487 783 3HD2 LEU 10 3HD2 LEU 10 4.542 -1.846 -6.883 784 H ILE 11 H ILE 11 2.052 -6.257 -8.663 785 HA ILE 11 HA ILE 11 3.655 -8.019 -7.126 786 HB ILE 11 HB ILE 11 1.564 -8.492 -9.270 787 1HG1 ILE 11 1HG1 ILE 11 1.551 -8.847 -6.235 788 2HG1 ILE 11 2HG1 ILE 11 0.910 -7.453 -7.102 789 1HG2 ILE 11 1HG2 ILE 11 1.464 -10.867 -8.580 790 2HG2 ILE 11 2HG2 ILE 11 2.987 -10.475 -9.342 791 3HG2 ILE 11 3HG2 ILE 11 2.909 -10.636 -7.579 792 1HD1 ILE 11 1HD1 ILE 11 -0.671 -9.021 -8.317 793 2HD1 ILE 11 2HD1 ILE 11 -0.157 -10.296 -7.180 794 3HD1 ILE 11 3HD1 ILE 11 -0.937 -8.829 -6.576 795 H ASP 12 H ASP 12 3.517 -7.653 -10.701 796 HA ASP 12 HA ASP 12 5.341 -9.757 -11.192 797 1HB ASP 12 1HB ASP 12 3.719 -8.858 -12.834 798 2HB ASP 12 2HB ASP 12 4.681 -7.378 -12.975 799 H VAL 13 H VAL 13 5.853 -6.191 -11.089 800 HA VAL 13 HA VAL 13 8.647 -6.285 -11.685 801 HB VAL 13 HB VAL 13 6.936 -4.277 -10.189 802 1HG1 VAL 13 1HG1 VAL 13 9.850 -4.026 -11.066 803 2HG1 VAL 13 2HG1 VAL 13 8.825 -2.668 -10.567 804 3HG1 VAL 13 3HG1 VAL 13 9.236 -3.930 -9.402 805 1HG2 VAL 13 1HG2 VAL 13 6.492 -4.613 -12.649 806 2HG2 VAL 13 2HG2 VAL 13 7.122 -3.002 -12.279 807 3HG2 VAL 13 3HG2 VAL 13 8.193 -4.237 -12.973 808 H PHE 14 H PHE 14 6.899 -6.251 -8.490 809 HA PHE 14 HA PHE 14 9.242 -6.448 -6.905 810 1HB PHE 14 1HB PHE 14 6.996 -6.055 -6.005 811 2HB PHE 14 2HB PHE 14 6.512 -7.685 -6.428 812 HD1 PHE 14 HD1 PHE 14 7.976 -5.608 -3.901 813 HD2 PHE 14 HD2 PHE 14 7.952 -9.693 -5.315 814 HE1 PHE 14 HE1 PHE 14 8.540 -6.437 -1.628 815 HE2 PHE 14 HE2 PHE 14 8.458 -10.483 -3.069 816 HZ PHE 14 HZ PHE 14 8.666 -8.858 -1.178 817 H HIS 15 H HIS 15 7.207 -9.068 -8.308 818 HA HIS 15 HA HIS 15 8.554 -11.259 -7.263 819 1HB HIS 15 1HB HIS 15 6.416 -11.486 -8.333 820 2HB HIS 15 2HB HIS 15 7.079 -10.970 -9.889 821 HD1 HIS 15 HD1 HIS 15 8.088 -13.812 -7.394 822 HD2 HIS 15 HD2 HIS 15 7.556 -12.939 -11.486 823 HE1 HIS 15 HE1 HIS 15 8.720 -15.915 -8.684 824 H GLN 16 H GLN 16 9.211 -9.542 -10.367 825 HA GLN 16 HA GLN 16 11.351 -11.175 -11.252 826 1HB GLN 16 1HB GLN 16 10.896 -8.172 -11.513 827 2HB GLN 16 2HB GLN 16 12.245 -9.025 -12.273 828 1HG GLN 16 1HG GLN 16 10.687 -10.430 -13.547 829 2HG GLN 16 2HG GLN 16 9.305 -9.632 -12.785 830 1HE2 GLN 16 1HE2 GLN 16 8.373 -8.195 -14.280 831 2HE2 GLN 16 2HE2 GLN 16 9.327 -7.150 -15.318 832 H TYR 17 H TYR 17 11.431 -8.349 -9.021 833 HA TYR 17 HA TYR 17 14.306 -8.435 -8.731 834 1HB TYR 17 1HB TYR 17 12.082 -6.933 -7.352 835 2HB TYR 17 2HB TYR 17 13.731 -6.855 -6.766 836 HD1 TYR 17 HD1 TYR 17 12.116 -6.631 -10.213 837 HD2 TYR 17 HD2 TYR 17 14.930 -4.994 -7.391 838 HE1 TYR 17 HE1 TYR 17 12.473 -4.725 -11.701 839 HE2 TYR 17 HE2 TYR 17 15.353 -3.103 -8.959 840 HH TYR 17 HH TYR 17 13.485 -2.674 -11.954 841 H SER 18 H SER 18 11.637 -9.400 -6.479 842 HA SER 18 HA SER 18 13.250 -10.434 -4.364 843 1HB SER 18 1HB SER 18 11.281 -11.682 -3.771 844 2HB SER 18 2HB SER 18 10.925 -9.966 -4.053 845 HG SER 18 HG SER 18 9.613 -11.867 -5.046 846 H GLY 19 H GLY 19 12.073 -11.918 -7.423 847 1HA GLY 19 1HA GLY 19 12.774 -14.589 -6.852 848 2HA GLY 19 2HA GLY 19 12.648 -13.848 -8.464 849 H ARG 20 H ARG 20 14.755 -11.775 -7.851 850 HA ARG 20 HA ARG 20 17.016 -13.405 -8.670 851 1HB ARG 20 1HB ARG 20 17.118 -10.483 -7.915 852 2HB ARG 20 2HB ARG 20 18.223 -11.417 -8.928 853 1HG ARG 20 1HG ARG 20 15.708 -11.747 -10.179 854 2HG ARG 20 2HG ARG 20 15.638 -10.126 -9.511 855 1HD ARG 20 1HD ARG 20 18.190 -10.397 -10.890 856 2HD ARG 20 2HD ARG 20 16.897 -10.992 -11.918 857 HE ARG 20 HE ARG 20 16.097 -8.878 -12.191 858 1HH1 ARG 20 2HH1 ARG 20 18.123 -8.928 -9.307 859 2HH1 ARG 20 1HH1 ARG 20 18.173 -7.198 -9.111 860 1HH2 ARG 20 1HH2 ARG 20 16.048 -6.604 -11.905 861 2HH2 ARG 20 2HH2 ARG 20 16.963 -5.853 -10.621 862 H GLU 21 H GLU 21 16.262 -11.385 -5.758 863 HA GLU 21 HA GLU 21 17.731 -13.365 -4.156 864 1HB GLU 21 1HB GLU 21 18.530 -10.461 -3.857 865 2HB GLU 21 2HB GLU 21 19.156 -11.879 -3.006 866 1HG GLU 21 1HG GLU 21 20.132 -12.718 -5.121 867 2HG GLU 21 2HG GLU 21 19.586 -11.239 -5.944 868 H GLY 22 H GLY 22 15.855 -13.942 -3.102 869 1HA GLY 22 1HA GLY 22 15.368 -12.749 -0.663 870 2HA GLY 22 2HA GLY 22 14.145 -12.084 -1.771 871 H ASP 23 H ASP 23 13.437 -13.792 0.385 872 HA ASP 23 HA ASP 23 13.060 -16.508 -0.600 873 1HB ASP 23 1HB ASP 23 13.376 -15.963 1.799 874 2HB ASP 23 2HB ASP 23 11.870 -15.030 1.781 875 H LYS 24 H LYS 24 12.188 -15.306 -2.633 876 HA LYS 24 HA LYS 24 10.560 -15.096 -4.154 877 1HB LYS 24 1HB LYS 24 8.709 -16.528 -2.192 878 2HB LYS 24 2HB LYS 24 8.483 -16.316 -3.928 879 1HG LYS 24 1HG LYS 24 10.514 -17.681 -4.362 880 2HG LYS 24 2HG LYS 24 10.703 -17.933 -2.610 881 1HD LYS 24 1HD LYS 24 8.423 -18.936 -2.507 882 2HD LYS 24 2HD LYS 24 8.247 -18.717 -4.256 883 1HE LYS 24 1HE LYS 24 10.188 -20.225 -4.640 884 2HE LYS 24 2HE LYS 24 10.374 -20.429 -2.886 885 1HZ LYS 24 1HZ LYS 24 8.187 -21.375 -2.823 886 2HZ LYS 24 2HZ LYS 24 8.008 -21.189 -4.450 887 3HZ LYS 24 3HZ LYS 24 9.150 -22.221 -3.859 888 H HIS 25 H HIS 25 8.913 -14.639 -1.050 889 HA HIS 25 HA HIS 25 7.231 -12.442 -2.110 890 1HB HIS 25 1HB HIS 25 6.439 -14.525 -0.931 891 2HB HIS 25 2HB HIS 25 7.207 -13.933 0.542 892 HD1 HIS 25 HD1 HIS 25 5.687 -12.396 2.004 893 HD2 HIS 25 HD2 HIS 25 4.352 -12.977 -1.941 894 HE1 HIS 25 HE1 HIS 25 3.310 -11.476 1.895 895 H LYS 26 H LYS 26 10.267 -12.123 -1.333 896 HA LYS 26 HA LYS 26 9.918 -9.820 0.441 897 1HB LYS 26 1HB LYS 26 12.006 -11.900 1.101 898 2HB LYS 26 2HB LYS 26 11.497 -10.495 2.057 899 1HG LYS 26 1HG LYS 26 9.255 -11.672 2.381 900 2HG LYS 26 2HG LYS 26 9.976 -13.093 1.601 901 1HD LYS 26 1HD LYS 26 11.822 -13.027 3.311 902 2HD LYS 26 2HD LYS 26 10.973 -11.722 4.150 903 1HE LYS 26 1HE LYS 26 9.867 -14.526 3.620 904 2HE LYS 26 2HE LYS 26 10.566 -13.968 5.146 905 1HZ LYS 26 1HZ LYS 26 8.180 -13.875 5.144 906 2HZ LYS 26 2HZ LYS 26 8.814 -12.373 5.335 907 3HZ LYS 26 3HZ LYS 26 8.168 -12.814 3.886 908 H LEU 27 H LEU 27 11.780 -8.402 0.414 909 HA LEU 27 HA LEU 27 13.614 -8.800 -1.939 910 1HB LEU 27 1HB LEU 27 12.545 -6.269 -0.638 911 2HB LEU 27 2HB LEU 27 13.769 -6.295 -1.909 912 HG LEU 27 HG LEU 27 10.982 -7.423 -2.285 913 1HD1 LEU 27 1HD1 LEU 27 10.522 -5.239 -3.463 914 2HD1 LEU 27 2HD1 LEU 27 10.822 -5.025 -1.726 915 3HD1 LEU 27 3HD1 LEU 27 12.100 -4.652 -2.904 916 1HD2 LEU 27 1HD2 LEU 27 12.979 -6.427 -4.351 917 2HD2 LEU 27 2HD2 LEU 27 12.769 -8.142 -3.935 918 3HD2 LEU 27 3HD2 LEU 27 11.429 -7.233 -4.657 919 H LYS 28 H LYS 28 15.730 -9.050 -1.407 920 HA LYS 28 HA LYS 28 16.825 -8.571 1.229 921 1HB LYS 28 1HB LYS 28 17.986 -8.835 -1.570 922 2HB LYS 28 2HB LYS 28 19.014 -8.618 -0.160 923 1HG LYS 28 1HG LYS 28 16.960 -10.810 -0.061 924 2HG LYS 28 2HG LYS 28 18.310 -11.007 -1.161 925 1HD LYS 28 1HD LYS 28 18.572 -10.485 1.839 926 2HD LYS 28 2HD LYS 28 18.689 -12.064 1.062 927 1HE LYS 28 1HE LYS 28 20.651 -9.745 0.761 928 2HE LYS 28 2HE LYS 28 20.909 -11.310 1.526 929 1HZ LYS 28 1HZ LYS 28 21.862 -11.271 -0.620 930 2HZ LYS 28 2HZ LYS 28 20.601 -12.333 -0.627 931 3HZ LYS 28 3HZ LYS 28 20.441 -10.849 -1.333 932 H LYS 29 H LYS 29 18.610 -6.912 1.571 933 HA LYS 29 HA LYS 29 17.804 -4.238 1.010 934 1HB LYS 29 1HB LYS 29 20.044 -3.599 1.772 935 2HB LYS 29 2HB LYS 29 19.240 -4.708 2.878 936 1HG LYS 29 1HG LYS 29 20.634 -6.577 2.088 937 2HG LYS 29 2HG LYS 29 21.395 -5.524 0.873 938 1HD LYS 29 1HD LYS 29 22.297 -4.076 2.636 939 2HD LYS 29 2HD LYS 29 21.492 -5.047 3.885 940 1HE LYS 29 1HE LYS 29 22.833 -7.013 3.280 941 2HE LYS 29 2HE LYS 29 23.588 -6.129 1.938 942 1HZ LYS 29 1HZ LYS 29 23.817 -5.351 4.757 943 2HZ LYS 29 2HZ LYS 29 24.941 -6.219 3.920 944 3HZ LYS 29 3HZ LYS 29 24.601 -4.678 3.463 945 H SER 30 H SER 30 19.898 -6.446 -0.870 946 HA SER 30 HA SER 30 20.927 -4.516 -2.692 947 1HB SER 30 1HB SER 30 21.007 -6.733 -4.112 948 2HB SER 30 2HB SER 30 21.970 -6.640 -2.625 949 HG SER 30 HG SER 30 20.609 -8.573 -2.851 950 H GLU 31 H GLU 31 18.105 -6.766 -2.859 951 HA GLU 31 HA GLU 31 17.229 -5.742 -5.384 952 1HB GLU 31 1HB GLU 31 15.658 -7.241 -3.242 953 2HB GLU 31 2HB GLU 31 15.116 -6.943 -4.900 954 1HG GLU 31 1HG GLU 31 17.583 -8.518 -4.103 955 2HG GLU 31 2HG GLU 31 16.060 -9.202 -4.695 956 H LEU 32 H LEU 32 16.143 -5.004 -2.062 957 HA LEU 32 HA LEU 32 14.097 -3.218 -2.749 958 1HB LEU 32 1HB LEU 32 14.475 -4.239 -0.551 959 2HB LEU 32 2HB LEU 32 15.908 -3.229 -0.295 960 HG LEU 32 HG LEU 32 13.748 -2.615 0.869 961 1HD1 LEU 32 1HD1 LEU 32 14.925 -0.362 -0.801 962 2HD1 LEU 32 2HD1 LEU 32 14.107 -0.246 0.761 963 3HD1 LEU 32 3HD1 LEU 32 15.681 -1.050 0.648 964 1HD2 LEU 32 1HD2 LEU 32 12.045 -1.347 -0.260 965 2HD2 LEU 32 2HD2 LEU 32 12.863 -1.522 -1.818 966 3HD2 LEU 32 3HD2 LEU 32 12.191 -2.949 -1.000 967 H LYS 33 H LYS 33 17.608 -2.613 -2.192 968 HA LYS 33 HA LYS 33 17.627 0.168 -2.570 969 1HB LYS 33 1HB LYS 33 19.550 -0.931 -1.820 970 2HB LYS 33 2HB LYS 33 19.618 -2.043 -3.163 971 1HG LYS 33 1HG LYS 33 20.205 -0.145 -4.702 972 2HG LYS 33 2HG LYS 33 20.157 0.955 -3.318 973 1HD LYS 33 1HD LYS 33 21.921 -0.649 -2.249 974 2HD LYS 33 2HD LYS 33 22.041 -1.388 -3.849 975 1HE LYS 33 1HE LYS 33 22.631 1.504 -3.074 976 2HE LYS 33 2HE LYS 33 23.808 0.282 -3.565 977 1HZ LYS 33 1HZ LYS 33 23.321 1.738 -5.356 978 2HZ LYS 33 2HZ LYS 33 22.731 0.244 -5.727 979 3HZ LYS 33 3HZ LYS 33 21.705 1.448 -5.250 980 H GLU 34 H GLU 34 18.140 -2.387 -5.122 981 HA GLU 34 HA GLU 34 18.322 -0.308 -7.101 982 1HB GLU 34 1HB GLU 34 18.178 -2.075 -8.805 983 2HB GLU 34 2HB GLU 34 19.480 -2.298 -7.633 984 1HG GLU 34 1HG GLU 34 18.395 -4.093 -6.562 985 2HG GLU 34 2HG GLU 34 16.828 -3.729 -7.278 986 H LEU 35 H LEU 35 15.651 -2.302 -5.920 987 HA LEU 35 HA LEU 35 13.640 -1.670 -7.797 988 1HB LEU 35 1HB LEU 35 13.471 -3.392 -6.084 989 2HB LEU 35 2HB LEU 35 13.606 -2.194 -4.811 990 HG LEU 35 HG LEU 35 11.403 -3.085 -4.962 991 1HD1 LEU 35 1HD1 LEU 35 10.080 -1.144 -4.859 992 2HD1 LEU 35 2HD1 LEU 35 11.694 -0.644 -4.362 993 3HD1 LEU 35 3HD1 LEU 35 11.086 -0.254 -5.994 994 1HD2 LEU 35 1HD2 LEU 35 9.919 -2.892 -6.841 995 2HD2 LEU 35 2HD2 LEU 35 11.146 -2.008 -7.785 996 3HD2 LEU 35 3HD2 LEU 35 11.402 -3.713 -7.354 997 H ILE 36 H ILE 36 14.479 0.068 -4.700 998 HA ILE 36 HA ILE 36 12.646 2.194 -5.255 999 HB ILE 36 HB ILE 36 15.052 2.078 -3.403 1000 1HG1 ILE 36 1HG1 ILE 36 12.018 1.937 -2.992 1001 2HG1 ILE 36 2HG1 ILE 36 13.161 0.600 -2.844 1002 1HG2 ILE 36 1HG2 ILE 36 14.165 4.169 -2.383 1003 2HG2 ILE 36 2HG2 ILE 36 14.664 4.456 -4.036 1004 3HG2 ILE 36 3HG2 ILE 36 12.940 4.274 -3.655 1005 1HD1 ILE 36 1HD1 ILE 36 12.639 1.299 -0.637 1006 2HD1 ILE 36 2HD1 ILE 36 14.283 1.894 -0.958 1007 3HD1 ILE 36 3HD1 ILE 36 12.896 3.003 -1.006 1008 H ASN 37 H ASN 37 16.205 2.033 -5.696 1009 HA ASN 37 HA ASN 37 16.644 4.555 -6.811 1010 1HB ASN 37 1HB ASN 37 17.940 1.862 -7.348 1011 2HB ASN 37 2HB ASN 37 18.415 3.305 -8.257 1012 1HD2 ASN 37 2HD2 ASN 37 18.163 2.094 -4.867 1013 2HD2 ASN 37 1HD2 ASN 37 19.517 3.086 -4.303 1014 H ASN 38 H ASN 38 15.726 1.567 -8.634 1015 HA ASN 38 HA ASN 38 15.743 2.919 -11.164 1016 1HB ASN 38 1HB ASN 38 14.474 0.290 -10.239 1017 2HB ASN 38 2HB ASN 38 14.609 0.828 -11.924 1018 1HD2 ASN 38 1HD2 ASN 38 15.611 -1.632 -11.212 1019 2HD2 ASN 38 2HD2 ASN 38 17.368 -1.555 -11.280 1020 H GLU 39 H GLU 39 13.052 1.628 -9.107 1021 HA GLU 39 HA GLU 39 11.130 2.624 -11.020 1022 1HB GLU 39 1HB GLU 39 10.784 1.317 -8.294 1023 2HB GLU 39 2HB GLU 39 9.476 1.710 -9.405 1024 1HG GLU 39 1HG GLU 39 11.800 -0.145 -10.096 1025 2HG GLU 39 2HG GLU 39 10.210 -0.680 -9.563 1026 H LEU 40 H LEU 40 12.232 3.677 -7.789 1027 HA LEU 40 HA LEU 40 10.019 5.619 -7.664 1028 1HB LEU 40 1HB LEU 40 11.214 4.041 -5.737 1029 2HB LEU 40 2HB LEU 40 12.072 5.564 -5.535 1030 HG LEU 40 HG LEU 40 9.739 6.679 -5.429 1031 1HD1 LEU 40 1HD1 LEU 40 7.875 5.175 -4.760 1032 2HD1 LEU 40 2HD1 LEU 40 8.398 4.776 -6.401 1033 3HD1 LEU 40 3HD1 LEU 40 8.900 3.758 -5.034 1034 1HD2 LEU 40 1HD2 LEU 40 11.158 6.248 -3.481 1035 2HD2 LEU 40 2HD2 LEU 40 9.451 5.986 -3.064 1036 3HD2 LEU 40 3HD2 LEU 40 10.537 4.603 -3.363 1037 H SER 41 H SER 41 13.005 5.640 -9.100 1038 HA SER 41 HA SER 41 14.462 7.842 -8.534 1039 1HB SER 41 1HB SER 41 14.646 8.079 -11.097 1040 2HB SER 41 2HB SER 41 15.032 6.492 -10.446 1041 HG SER 41 HG SER 41 13.317 5.661 -11.382 1042 H HIS 42 H HIS 42 11.356 7.818 -10.149 1043 HA HIS 42 HA HIS 42 11.238 10.489 -11.094 1044 1HB HIS 42 1HB HIS 42 9.072 8.525 -10.294 1045 2HB HIS 42 2HB HIS 42 8.797 9.992 -11.248 1046 HD1 HIS 42 HD1 HIS 42 11.736 7.540 -12.063 1047 HD2 HIS 42 HD2 HIS 42 7.887 8.685 -13.373 1048 HE1 HIS 42 HE1 HIS 42 11.359 6.422 -14.298 1049 H PHE 43 H PHE 43 10.453 9.088 -7.942 1050 HA PHE 43 HA PHE 43 9.167 11.628 -6.973 1051 1HB PHE 43 1HB PHE 43 8.979 8.704 -6.190 1052 2HB PHE 43 2HB PHE 43 8.587 9.973 -5.049 1053 HD1 PHE 43 HD1 PHE 43 7.579 10.574 -8.566 1054 HD2 PHE 43 HD2 PHE 43 6.414 9.003 -4.716 1055 HE1 PHE 43 HE1 PHE 43 5.239 10.432 -9.322 1056 HE2 PHE 43 HE2 PHE 43 4.074 8.826 -5.486 1057 HZ PHE 43 HZ PHE 43 3.501 9.454 -7.851 1058 H LEU 44 H LEU 44 11.723 9.213 -6.270 1059 HA LEU 44 HA LEU 44 12.635 10.837 -3.941 1060 1HB LEU 44 1HB LEU 44 11.287 8.546 -3.736 1061 2HB LEU 44 2HB LEU 44 12.864 7.824 -4.068 1062 HG LEU 44 HG LEU 44 12.240 9.810 -1.830 1063 1HD1 LEU 44 1HD1 LEU 44 10.966 7.691 -1.571 1064 2HD1 LEU 44 2HD1 LEU 44 12.488 6.775 -1.684 1065 3HD1 LEU 44 3HD1 LEU 44 12.200 7.870 -0.318 1066 1HD2 LEU 44 1HD2 LEU 44 14.318 8.815 -0.800 1067 2HD2 LEU 44 2HD2 LEU 44 14.664 8.051 -2.367 1068 3HD2 LEU 44 3HD2 LEU 44 14.602 9.826 -2.219 1069 H GLU 45 H GLU 45 14.858 11.089 -3.811 1070 HA GLU 45 HA GLU 45 16.391 10.852 -6.195 1071 1HB GLU 45 1HB GLU 45 17.441 11.084 -3.340 1072 2HB GLU 45 2HB GLU 45 18.295 11.525 -4.821 1073 1HG GLU 45 1HG GLU 45 15.839 12.897 -3.648 1074 2HG GLU 45 2HG GLU 45 17.476 13.540 -3.745 1075 H GLU 46 H GLU 46 18.282 9.558 -6.620 1076 HA GLU 46 HA GLU 46 18.036 6.776 -6.145 1077 1HB GLU 46 1HB GLU 46 20.060 6.571 -7.356 1078 2HB GLU 46 2HB GLU 46 19.158 7.894 -8.100 1079 1HG GLU 46 1HG GLU 46 20.548 9.498 -6.688 1080 2HG GLU 46 2HG GLU 46 21.413 8.076 -6.090 1081 H ILE 47 H ILE 47 19.430 5.444 -4.994 1082 HA ILE 47 HA ILE 47 20.530 6.587 -2.465 1083 HB ILE 47 HB ILE 47 18.893 4.053 -2.300 1084 1HG1 ILE 47 1HG1 ILE 47 17.777 6.848 -2.419 1085 2HG1 ILE 47 2HG1 ILE 47 17.292 5.427 -3.363 1086 1HG2 ILE 47 1HG2 ILE 47 18.766 4.726 0.022 1087 2HG2 ILE 47 2HG2 ILE 47 20.445 4.927 -0.484 1088 3HG2 ILE 47 3HG2 ILE 47 19.390 6.346 -0.354 1089 1HD1 ILE 47 1HD1 ILE 47 15.628 5.861 -1.693 1090 2HD1 ILE 47 2HD1 ILE 47 16.471 4.355 -1.263 1091 3HD1 ILE 47 3HD1 ILE 47 16.819 5.872 -0.389 1092 H LYS 48 H LYS 48 22.586 6.257 -3.279 1093 HA LYS 48 HA LYS 48 23.510 3.591 -4.045 1094 1HB LYS 48 1HB LYS 48 25.678 4.620 -4.261 1095 2HB LYS 48 2HB LYS 48 24.440 5.557 -5.103 1096 1HG LYS 48 1HG LYS 48 24.409 7.192 -3.189 1097 2HG LYS 48 2HG LYS 48 25.696 6.247 -2.404 1098 1HD LYS 48 1HD LYS 48 27.173 6.637 -4.348 1099 2HD LYS 48 2HD LYS 48 25.890 7.572 -5.143 1100 1HE LYS 48 1HE LYS 48 25.907 9.203 -3.266 1101 2HE LYS 48 2HE LYS 48 27.176 8.265 -2.454 1102 1HZ LYS 48 1HZ LYS 48 28.062 10.106 -3.664 1103 2HZ LYS 48 2HZ LYS 48 28.596 8.694 -4.325 1104 3HZ LYS 48 3HZ LYS 48 27.413 9.562 -5.078 1105 H GLU 49 H GLU 49 23.350 5.540 -1.131 1106 HA GLU 49 HA GLU 49 25.514 4.294 0.256 1107 1HB GLU 49 1HB GLU 49 23.206 5.971 1.319 1108 2HB GLU 49 2HB GLU 49 24.694 5.555 2.183 1109 1HG GLU 49 1HG GLU 49 26.017 6.673 0.342 1110 2HG GLU 49 2HG GLU 49 24.493 7.231 -0.369 1111 H GLN 50 H GLN 50 25.212 2.074 0.208 1112 HA GLN 50 HA GLN 50 23.128 0.505 0.779 1113 1HB GLN 50 1HB GLN 50 25.494 -0.183 0.239 1114 2HB GLN 50 2HB GLN 50 25.841 -0.112 1.979 1115 1HG GLN 50 1HG GLN 50 23.938 -1.742 2.354 1116 2HG GLN 50 2HG GLN 50 23.723 -1.846 0.601 1117 1HE2 GLN 50 2HE2 GLN 50 26.221 -2.144 -0.452 1118 2HE2 GLN 50 1HE2 GLN 50 26.996 -3.554 0.246 1119 H GLU 51 H GLU 51 24.976 2.202 3.345 1120 HA GLU 51 HA GLU 51 23.776 0.918 5.567 1121 1HB GLU 51 1HB GLU 51 24.557 3.867 5.419 1122 2HB GLU 51 2HB GLU 51 24.433 2.847 6.857 1123 1HG GLU 51 1HG GLU 51 26.522 2.650 4.639 1124 2HG GLU 51 2HG GLU 51 26.766 3.111 6.321 1125 H VAL 52 H VAL 52 22.591 3.596 3.524 1126 HA VAL 52 HA VAL 52 20.288 4.110 5.234 1127 HB VAL 52 HB VAL 52 20.908 5.076 2.408 1128 1HG1 VAL 52 1HG1 VAL 52 18.827 5.942 4.448 1129 2HG1 VAL 52 2HG1 VAL 52 19.222 6.813 2.952 1130 3HG1 VAL 52 3HG1 VAL 52 18.518 5.203 2.863 1131 1HG2 VAL 52 1HG2 VAL 52 21.596 7.162 3.542 1132 2HG2 VAL 52 2HG2 VAL 52 21.287 6.426 5.125 1133 3HG2 VAL 52 3HG2 VAL 52 22.603 5.830 4.091 1134 H VAL 53 H VAL 53 20.924 2.369 2.093 1135 HA VAL 53 HA VAL 53 18.213 1.758 1.646 1136 HB VAL 53 HB VAL 53 18.785 0.398 0.015 1137 1HG1 VAL 53 1HG1 VAL 53 19.867 2.560 -0.337 1138 2HG1 VAL 53 2HG1 VAL 53 21.403 1.884 0.247 1139 3HG1 VAL 53 3HG1 VAL 53 20.664 1.245 -1.204 1140 1HG2 VAL 53 1HG2 VAL 53 19.743 -1.483 1.016 1141 2HG2 VAL 53 2HG2 VAL 53 20.930 -0.962 -0.181 1142 3HG2 VAL 53 3HG2 VAL 53 21.207 -0.621 1.504 1143 H ASP 54 H ASP 54 20.715 0.037 3.486 1144 HA ASP 54 HA ASP 54 19.177 -2.116 4.478 1145 1HB ASP 54 1HB ASP 54 21.632 -1.978 4.641 1146 2HB ASP 54 2HB ASP 54 21.495 -0.645 5.796 1147 H LYS 55 H LYS 55 19.751 1.201 5.873 1148 HA LYS 55 HA LYS 55 18.252 0.776 8.173 1149 1HB LYS 55 1HB LYS 55 19.716 2.727 7.803 1150 2HB LYS 55 2HB LYS 55 18.590 3.359 6.596 1151 1HG LYS 55 1HG LYS 55 18.334 4.554 8.670 1152 2HG LYS 55 2HG LYS 55 16.848 3.667 8.320 1153 1HD LYS 55 1HD LYS 55 17.520 1.895 9.931 1154 2HD LYS 55 2HD LYS 55 19.061 2.736 10.202 1155 1HE LYS 55 1HE LYS 55 17.795 4.699 11.099 1156 2HE LYS 55 2HE LYS 55 16.268 3.845 10.791 1157 1HZ LYS 55 1HZ LYS 55 16.966 2.165 12.330 1158 2HZ LYS 55 2HZ LYS 55 18.386 2.951 12.615 1159 3HZ LYS 55 3HZ LYS 55 16.958 3.644 13.055 1160 H VAL 56 H VAL 56 17.060 2.138 5.025 1161 HA VAL 56 HA VAL 56 14.447 2.613 6.070 1162 HB VAL 56 HB VAL 56 13.674 2.964 3.817 1163 1HG1 VAL 56 1HG1 VAL 56 15.102 4.842 3.217 1164 2HG1 VAL 56 2HG1 VAL 56 14.882 4.773 4.972 1165 3HG1 VAL 56 3HG1 VAL 56 16.413 4.240 4.240 1166 1HG2 VAL 56 1HG2 VAL 56 15.141 2.796 1.862 1167 2HG2 VAL 56 2HG2 VAL 56 16.399 2.061 2.866 1168 3HG2 VAL 56 3HG2 VAL 56 14.872 1.203 2.580 1169 H MET 57 H MET 57 15.797 -0.258 4.388 1170 HA MET 57 HA MET 57 13.192 -1.555 4.415 1171 1HB MET 57 1HB MET 57 14.244 -3.441 3.465 1172 2HB MET 57 2HB MET 57 14.790 -1.950 2.711 1173 1HG MET 57 1HG MET 57 16.792 -2.934 2.814 1174 2HG MET 57 2HG MET 57 16.811 -2.171 4.388 1175 1HE MET 57 1HE MET 57 16.102 -5.285 2.340 1176 2HE MET 57 2HE MET 57 16.269 -6.627 3.494 1177 3HE MET 57 3HE MET 57 14.811 -5.613 3.512 1178 H GLU 58 H GLU 58 16.101 -1.771 6.510 1179 HA GLU 58 HA GLU 58 15.242 -3.745 8.310 1180 1HB GLU 58 1HB GLU 58 17.479 -2.788 8.363 1181 2HB GLU 58 2HB GLU 58 16.838 -1.186 8.776 1182 1HG GLU 58 1HG GLU 58 16.061 -2.016 10.957 1183 2HG GLU 58 2HG GLU 58 16.576 -3.652 10.525 1184 H THR 59 H THR 59 14.594 -0.249 8.280 1185 HA THR 59 HA THR 59 13.084 0.045 10.603 1186 HB THR 59 HB THR 59 12.967 1.384 7.880 1187 HG1 THR 59 HG1 THR 59 14.800 1.732 9.017 1188 1HG2 THR 59 1HG2 THR 59 10.789 1.876 8.663 1189 2HG2 THR 59 2HG2 THR 59 11.395 2.260 10.303 1190 3HG2 THR 59 3HG2 THR 59 11.801 3.291 8.907 1191 H LEU 60 H LEU 60 12.064 -1.459 7.530 1192 HA LEU 60 HA LEU 60 9.274 -1.737 8.595 1193 1HB LEU 60 1HB LEU 60 10.266 -1.991 5.756 1194 2HB LEU 60 2HB LEU 60 8.584 -2.025 6.317 1195 HG LEU 60 HG LEU 60 10.428 0.404 6.452 1196 1HD1 LEU 60 1HD1 LEU 60 8.833 1.326 4.819 1197 2HD1 LEU 60 2HD1 LEU 60 9.644 -0.130 4.201 1198 3HD1 LEU 60 3HD1 LEU 60 7.962 -0.224 4.783 1199 1HD2 LEU 60 1HD2 LEU 60 7.520 0.032 7.316 1200 2HD2 LEU 60 2HD2 LEU 60 8.889 0.420 8.377 1201 3HD2 LEU 60 3HD2 LEU 60 8.350 1.597 7.177 1202 H ASP 61 H ASP 61 12.003 -3.455 8.753 1203 HA ASP 61 HA ASP 61 11.123 -5.973 7.607 1204 1HB ASP 61 1HB ASP 61 13.471 -5.484 7.780 1205 2HB ASP 61 2HB ASP 61 13.351 -5.308 9.538 1206 H SER 62 H SER 62 8.935 -5.674 8.681 1207 HA SER 62 HA SER 62 8.341 -6.140 11.373 1208 1HB SER 62 1HB SER 62 6.182 -6.990 10.484 1209 2HB SER 62 2HB SER 62 6.704 -5.528 9.615 1210 HG SER 62 HG SER 62 6.080 -7.066 8.122 1211 H ASP 63 H ASP 63 9.125 -8.398 8.793 1212 HA ASP 63 HA ASP 63 8.575 -10.818 10.150 1213 1HB ASP 63 1HB ASP 63 10.598 -10.314 7.922 1214 2HB ASP 63 2HB ASP 63 9.851 -11.863 8.333 1215 H GLY 64 H GLY 64 11.231 -8.612 10.666 1216 1HA GLY 64 1HA GLY 64 13.283 -8.823 11.656 1217 2HA GLY 64 2HA GLY 64 12.599 -10.183 12.561 1218 H ASP 65 H ASP 65 12.983 -9.934 9.030 1219 HA ASP 65 HA ASP 65 14.714 -12.390 9.035 1220 1HB ASP 65 1HB ASP 65 12.348 -12.715 8.297 1221 2HB ASP 65 2HB ASP 65 12.587 -11.477 7.050 1222 H GLY 66 H GLY 66 15.027 -9.162 8.730 1223 1HA GLY 66 1HA GLY 66 16.476 -7.812 7.617 1224 2HA GLY 66 2HA GLY 66 17.144 -9.193 6.730 1225 H GLU 67 H GLU 67 15.417 -10.225 5.246 1226 HA GLU 67 HA GLU 67 14.963 -8.518 3.110 1227 1HB GLU 67 1HB GLU 67 13.439 -11.095 3.625 1228 2HB GLU 67 2HB GLU 67 13.837 -10.332 2.076 1229 1HG GLU 67 1HG GLU 67 16.282 -10.714 2.605 1230 2HG GLU 67 2HG GLU 67 15.773 -11.685 4.002 1231 H CYS 68 H CYS 68 13.306 -7.158 2.532 1232 HA CYS 68 HA CYS 68 11.161 -6.702 4.526 1233 1HB CYS 68 1HB CYS 68 12.454 -5.077 2.429 1234 2HB CYS 68 2HB CYS 68 10.674 -4.987 2.355 1235 HG CYS 68 HG CYS 68 12.510 -4.577 5.048 1236 H ASP 69 H ASP 69 9.197 -7.643 4.374 1237 HA ASP 69 HA ASP 69 8.719 -9.515 2.243 1238 1HB ASP 69 1HB ASP 69 8.148 -10.007 4.534 1239 2HB ASP 69 2HB ASP 69 6.989 -8.656 4.591 1240 H PHE 70 H PHE 70 6.833 -9.564 0.853 1241 HA PHE 70 HA PHE 70 6.311 -7.316 -0.629 1242 1HB PHE 70 1HB PHE 70 5.719 -9.657 -1.225 1243 2HB PHE 70 2HB PHE 70 4.342 -9.565 -0.137 1244 HD1 PHE 70 HD1 PHE 70 2.325 -8.324 -0.793 1245 HD2 PHE 70 HD2 PHE 70 5.874 -8.177 -3.193 1246 HE1 PHE 70 HE1 PHE 70 1.120 -7.003 -2.488 1247 HE2 PHE 70 HE2 PHE 70 4.705 -6.773 -4.872 1248 HZ PHE 70 HZ PHE 70 2.329 -6.173 -4.527 1249 H GLN 71 H GLN 71 4.514 -8.348 2.296 1250 HA GLN 71 HA GLN 71 2.503 -6.351 2.389 1251 1HB GLN 71 1HB GLN 71 4.177 -7.719 4.538 1252 2HB GLN 71 2HB GLN 71 2.848 -6.631 4.932 1253 1HG GLN 71 1HG GLN 71 2.359 -8.994 3.084 1254 2HG GLN 71 2HG GLN 71 2.438 -9.200 4.834 1255 1HE2 GLN 71 2HE2 GLN 71 0.455 -7.800 2.194 1256 2HE2 GLN 71 1HE2 GLN 71 -0.853 -7.343 3.284 1257 H GLU 72 H GLU 72 5.928 -6.212 3.435 1258 HA GLU 72 HA GLU 72 5.645 -3.589 4.664 1259 1HB GLU 72 1HB GLU 72 8.147 -5.204 3.971 1260 2HB GLU 72 2HB GLU 72 8.048 -3.824 5.063 1261 1HG GLU 72 1HG GLU 72 6.697 -6.542 5.475 1262 2HG GLU 72 2HG GLU 72 8.044 -5.905 6.371 1263 H PHE 73 H PHE 73 6.878 -4.899 1.626 1264 HA PHE 73 HA PHE 73 7.696 -2.431 0.421 1265 1HB PHE 73 1HB PHE 73 8.319 -4.308 -0.729 1266 2HB PHE 73 2HB PHE 73 6.771 -5.105 -0.545 1267 HD1 PHE 73 HD1 PHE 73 8.672 -2.617 -2.553 1268 HD2 PHE 73 HD2 PHE 73 4.957 -4.778 -2.137 1269 HE1 PHE 73 HE1 PHE 73 8.156 -2.246 -4.969 1270 HE2 PHE 73 HE2 PHE 73 4.415 -4.278 -4.507 1271 HZ PHE 73 HZ PHE 73 6.098 -3.154 -5.952 1272 H MET 74 H MET 74 4.448 -4.065 0.392 1273 HA MET 74 HA MET 74 3.131 -1.940 -0.933 1274 1HB MET 74 1HB MET 74 2.048 -4.024 0.994 1275 2HB MET 74 2HB MET 74 1.034 -2.861 0.146 1276 1HG MET 74 1HG MET 74 2.812 -4.950 -1.146 1277 2HG MET 74 2HG MET 74 1.062 -5.010 -1.006 1278 1HE MET 74 1HE MET 74 -0.603 -3.500 -2.476 1279 2HE MET 74 2HE MET 74 0.185 -2.031 -1.840 1280 3HE MET 74 3HE MET 74 -0.034 -2.241 -3.586 1281 H ALA 75 H ALA 75 3.759 -2.395 2.529 1282 HA ALA 75 HA ALA 75 2.294 -0.117 3.423 1283 1HB ALA 75 1HB ALA 75 3.156 -1.888 4.925 1284 2HB ALA 75 2HB ALA 75 4.810 -1.289 4.675 1285 3HB ALA 75 3HB ALA 75 3.604 -0.256 5.459 1286 H PHE 76 H PHE 76 5.714 -0.424 2.392 1287 HA PHE 76 HA PHE 76 6.486 2.287 2.879 1288 1HB PHE 76 1HB PHE 76 8.126 0.560 2.521 1289 2HB PHE 76 2HB PHE 76 7.534 0.262 0.902 1290 HD1 PHE 76 HD1 PHE 76 9.390 2.767 3.054 1291 HD2 PHE 76 HD2 PHE 76 8.183 1.578 -0.946 1292 HE1 PHE 76 HE1 PHE 76 10.853 4.488 2.070 1293 HE2 PHE 76 HE2 PHE 76 9.729 3.223 -1.893 1294 HZ PHE 76 HZ PHE 76 11.014 4.751 -0.409 1295 H VAL 77 H VAL 77 5.360 0.601 -0.075 1296 HA VAL 77 HA VAL 77 5.129 2.803 -1.815 1297 HB VAL 77 HB VAL 77 3.577 0.206 -1.559 1298 1HG1 VAL 77 1HG1 VAL 77 2.820 0.606 -3.914 1299 2HG1 VAL 77 2HG1 VAL 77 2.096 1.736 -2.768 1300 3HG1 VAL 77 3HG1 VAL 77 3.437 2.269 -3.807 1301 1HG2 VAL 77 1HG2 VAL 77 5.668 1.121 -3.593 1302 2HG2 VAL 77 2HG2 VAL 77 6.038 0.107 -2.193 1303 3HG2 VAL 77 3HG2 VAL 77 4.956 -0.499 -3.454 1304 H ALA 78 H ALA 78 2.732 1.529 0.582 1305 HA ALA 78 HA ALA 78 0.710 3.356 -0.046 1306 1HB ALA 78 1HB ALA 78 0.347 1.354 1.345 1307 2HB ALA 78 2HB ALA 78 1.235 2.123 2.681 1308 3HB ALA 78 3HB ALA 78 -0.281 2.829 2.097 1309 H MET 79 H MET 79 3.238 3.735 2.536 1310 HA MET 79 HA MET 79 2.279 6.312 3.288 1311 1HB MET 79 1HB MET 79 4.471 6.756 4.266 1312 2HB MET 79 2HB MET 79 3.782 5.207 4.768 1313 1HG MET 79 1HG MET 79 5.313 4.023 3.357 1314 2HG MET 79 2HG MET 79 5.894 5.531 2.610 1315 1HE MET 79 1HE MET 79 7.139 4.090 6.769 1316 2HE MET 79 2HE MET 79 5.440 4.503 6.428 1317 3HE MET 79 3HE MET 79 6.208 3.114 5.607 1318 H ILE 80 H ILE 80 4.678 5.412 0.789 1319 HA ILE 80 HA ILE 80 5.419 8.080 0.084 1320 HB ILE 80 HB ILE 80 5.362 5.513 -1.545 1321 1HG1 ILE 80 1HG1 ILE 80 6.811 5.552 0.562 1322 2HG1 ILE 80 2HG1 ILE 80 7.580 5.115 -0.964 1323 1HG2 ILE 80 1HG2 ILE 80 6.687 8.175 -2.177 1324 2HG2 ILE 80 2HG2 ILE 80 7.083 6.639 -2.982 1325 3HG2 ILE 80 3HG2 ILE 80 5.460 7.314 -3.129 1326 1HD1 ILE 80 1HD1 ILE 80 8.633 7.323 -1.076 1327 2HD1 ILE 80 2HD1 ILE 80 7.735 7.841 0.372 1328 3HD1 ILE 80 3HD1 ILE 80 8.950 6.550 0.487 1329 H THR 81 H THR 81 3.024 5.871 -1.379 1330 HA THR 81 HA THR 81 2.053 7.638 -3.357 1331 HB THR 81 HB THR 81 0.583 5.399 -1.892 1332 HG1 THR 81 HG1 THR 81 2.447 4.602 -2.781 1333 1HG2 THR 81 1HG2 THR 81 -0.765 5.169 -3.886 1334 2HG2 THR 81 2HG2 THR 81 -0.856 6.876 -3.388 1335 3HG2 THR 81 3HG2 THR 81 0.160 6.404 -4.741 1336 H THR 82 H THR 82 1.002 7.104 0.067 1337 HA THR 82 HA THR 82 -1.253 8.857 -0.053 1338 HB THR 82 HB THR 82 0.444 8.023 2.335 1339 HG1 THR 82 HG1 THR 82 -0.450 6.267 1.324 1340 1HG2 THR 82 1HG2 THR 82 -0.980 9.948 2.930 1341 2HG2 THR 82 2HG2 THR 82 -2.385 9.161 2.175 1342 3HG2 THR 82 3HG2 THR 82 -1.639 8.451 3.618 1343 H ALA 83 H ALA 83 2.157 9.462 1.006 1344 HA ALA 83 HA ALA 83 1.864 12.219 1.558 1345 1HB ALA 83 1HB ALA 83 4.276 12.366 1.106 1346 2HB ALA 83 2HB ALA 83 3.870 10.946 2.087 1347 3HB ALA 83 3HB ALA 83 4.251 10.757 0.362 1348 H CYS 84 H CYS 84 2.611 10.551 -1.545 1349 HA CYS 84 HA CYS 84 2.637 12.922 -3.125 1350 1HB CYS 84 1HB CYS 84 3.554 10.841 -3.968 1351 2HB CYS 84 2HB CYS 84 1.931 10.101 -3.991 1352 HG CYS 84 HG CYS 84 2.736 10.848 -6.413 1353 H HIS 85 H HIS 85 -0.163 10.805 -2.252 1354 HA HIS 85 HA HIS 85 -2.027 12.104 -3.906 1355 1HB HIS 85 1HB HIS 85 -2.372 9.954 -2.687 1356 2HB HIS 85 2HB HIS 85 -2.580 10.862 -1.187 1357 HD1 HIS 85 HD1 HIS 85 -4.474 13.205 -2.579 1358 HD2 HIS 85 HD2 HIS 85 -4.820 9.021 -2.818 1359 HE1 HIS 85 HE1 HIS 85 -6.928 12.693 -3.069 1360 H GLU 86 H GLU 86 -1.142 12.844 -0.471 1361 HA GLU 86 HA GLU 86 -2.993 15.064 -0.391 1362 1HB GLU 86 1HB GLU 86 -1.858 15.789 1.634 1363 2HB GLU 86 2HB GLU 86 -2.376 14.107 1.655 1364 1HG GLU 86 1HG GLU 86 -0.087 13.348 1.209 1365 2HG GLU 86 2HG GLU 86 0.507 15.006 1.207 1366 H PHE 87 H PHE 87 0.428 14.852 -1.363 1367 HA PHE 87 HA PHE 87 0.775 17.666 -1.834 1368 1HB PHE 87 1HB PHE 87 2.640 16.124 -1.776 1369 2HB PHE 87 2HB PHE 87 2.037 15.248 -3.171 1370 HD1 PHE 87 HD1 PHE 87 2.318 16.063 -5.436 1371 HD2 PHE 87 HD2 PHE 87 3.480 18.508 -2.075 1372 HE1 PHE 87 HE1 PHE 87 3.254 17.757 -6.982 1373 HE2 PHE 87 HE2 PHE 87 4.406 20.197 -3.626 1374 HZ PHE 87 HZ PHE 87 4.279 19.837 -6.082 1375 H PHE 88 H PHE 88 -0.552 15.059 -3.821 1376 HA PHE 88 HA PHE 88 -0.752 16.338 -6.296 1377 1HB PHE 88 1HB PHE 88 -1.120 13.901 -5.626 1378 2HB PHE 88 2HB PHE 88 -2.763 14.359 -5.159 1379 HD1 PHE 88 HD1 PHE 88 -4.419 15.125 -6.868 1380 HD2 PHE 88 HD2 PHE 88 -0.565 13.490 -7.928 1381 HE1 PHE 88 HE1 PHE 88 -5.322 14.398 -9.060 1382 HE2 PHE 88 HE2 PHE 88 -1.479 12.772 -10.118 1383 HZ PHE 88 HZ PHE 88 -3.863 13.206 -10.679 1384 H GLU 89 H GLU 89 -2.879 16.475 -3.453 1385 HA GLU 89 HA GLU 89 -4.814 18.262 -4.767 1386 1HB GLU 89 1HB GLU 89 -4.432 17.509 -1.835 1387 2HB GLU 89 2HB GLU 89 -5.709 18.549 -2.494 1388 1HG GLU 89 1HG GLU 89 -6.438 16.654 -3.980 1389 2HG GLU 89 2HG GLU 89 -5.213 15.621 -3.226 1390 H HIS 90 H HIS 90 -2.565 18.781 -1.942 1391 HA HIS 90 HA HIS 90 -2.658 21.690 -2.641 1392 1HB HIS 90 1HB HIS 90 -3.221 21.092 -0.392 1393 2HB HIS 90 2HB HIS 90 -1.670 20.314 -0.153 1394 HD1 HIS 90 HD1 HIS 90 0.514 22.197 -0.540 1395 HD2 HIS 90 HD2 HIS 90 -3.378 23.606 0.220 1396 HE1 HIS 90 HE1 HIS 90 0.755 24.610 0.279 1397 H GLU 91 H GLU 91 -1.473 21.048 -4.634 1398 HA GLU 91 HA GLU 91 1.276 20.288 -4.527 1399 1HB GLU 91 1HB GLU 91 -0.206 21.911 -6.641 1400 2HB GLU 91 2HB GLU 91 1.401 21.183 -6.832 1401 1HG GLU 91 1HG GLU 91 0.431 18.932 -6.393 1402 2HG GLU 91 2HG GLU 91 -1.186 19.650 -6.306 1403 1H LYS 62 H1 LYS 62 -29.023 -23.128 4.865 1404 2H LYS 62 H2 LYS 62 -29.049 -24.489 3.934 1405 3H LYS 62 H3 LYS 62 -28.151 -23.184 3.463 1406 HA LYS 62 HA LYS 62 -26.805 -23.386 5.452 1407 1HB LYS 62 1HB LYS 62 -28.235 -26.072 5.661 1408 2HB LYS 62 2HB LYS 62 -26.809 -25.581 6.591 1409 1HG LYS 62 1HG LYS 62 -28.104 -23.681 7.550 1410 2HG LYS 62 2HG LYS 62 -29.551 -24.241 6.683 1411 1HD LYS 62 1HD LYS 62 -29.382 -26.442 7.846 1412 2HD LYS 62 2HD LYS 62 -27.999 -25.844 8.773 1413 1HE LYS 62 1HE LYS 62 -30.823 -24.666 8.817 1414 2HE LYS 62 2HE LYS 62 -30.127 -25.727 10.051 1415 1HZ LYS 62 1HZ LYS 62 -29.132 -23.059 9.341 1416 2HZ LYS 62 2HZ LYS 62 -29.981 -23.457 10.693 1417 3HZ LYS 62 3HZ LYS 62 -28.466 -24.062 10.468 1418 H ARG 63 H ARG 63 -27.753 -26.082 3.290 1419 HA ARG 63 HA ARG 63 -25.038 -25.989 2.035 1420 1HB ARG 63 1HB ARG 63 -26.685 -28.438 2.741 1421 2HB ARG 63 2HB ARG 63 -25.221 -28.470 1.760 1422 1HG ARG 63 1HG ARG 63 -25.255 -27.507 4.664 1423 2HG ARG 63 2HG ARG 63 -24.961 -29.165 4.152 1424 1HD ARG 63 1HD ARG 63 -22.828 -28.233 4.488 1425 2HD ARG 63 2HD ARG 63 -23.046 -28.370 2.732 1426 HE ARG 63 HE ARG 63 -23.830 -25.764 3.758 1427 1HH1 ARG 63 2HH2 ARG 63 -20.982 -27.699 2.939 1428 2HH1 ARG 63 1HH2 ARG 63 -19.967 -26.322 2.615 1429 1HH2 ARG 63 2HH1 ARG 63 -22.505 -23.969 3.390 1430 2HH2 ARG 63 1HH1 ARG 63 -20.858 -24.149 2.862 1431 H LEU 64 H LEU 64 -27.728 -24.749 1.380 1432 HA LEU 64 HA LEU 64 -28.818 -26.166 -0.888 1433 1HB LEU 64 1HB LEU 64 -28.985 -23.202 -0.238 1434 2HB LEU 64 2HB LEU 64 -30.028 -24.119 -1.322 1435 HG LEU 64 HG LEU 64 -29.833 -24.472 1.711 1436 1HD1 LEU 64 1HD1 LEU 64 -32.019 -23.276 -0.036 1437 2HD1 LEU 64 2HD1 LEU 64 -32.081 -23.491 1.726 1438 3HD1 LEU 64 3HD1 LEU 64 -30.908 -22.370 1.013 1439 1HD2 LEU 64 1HD2 LEU 64 -31.857 -25.910 1.423 1440 2HD2 LEU 64 2HD2 LEU 64 -31.647 -25.829 -0.338 1441 3HD2 LEU 64 3HD2 LEU 64 -30.423 -26.623 0.680 1442 H ARG 65 H ARG 65 -27.035 -26.754 -2.075 1443 HA ARG 65 HA ARG 65 -25.426 -26.663 -3.657 1444 1HB ARG 65 1HB ARG 65 -26.342 -23.823 -4.284 1445 2HB ARG 65 2HB ARG 65 -25.285 -24.850 -5.258 1446 1HG ARG 65 1HG ARG 65 -27.141 -26.503 -5.513 1447 2HG ARG 65 2HG ARG 65 -28.206 -25.434 -4.586 1448 1HD ARG 65 1HD ARG 65 -28.631 -25.073 -6.961 1449 2HD ARG 65 2HD ARG 65 -27.904 -23.638 -6.250 1450 HE ARG 65 HE ARG 65 -26.067 -23.861 -7.584 1451 1HH1 ARG 65 2HH2 ARG 65 -27.807 -26.932 -7.618 1452 2HH1 ARG 65 1HH2 ARG 65 -26.868 -27.619 -8.916 1453 1HH2 ARG 65 2HH1 ARG 65 -24.813 -24.745 -9.260 1454 2HH2 ARG 65 1HH1 ARG 65 -25.125 -26.352 -9.858 1455 H ARG 66 H ARG 66 -24.874 -26.247 -1.014 1456 HA ARG 66 HA ARG 66 -23.512 -25.154 0.516 1457 1HB ARG 66 1HB ARG 66 -21.149 -25.793 0.005 1458 2HB ARG 66 2HB ARG 66 -22.352 -27.075 0.008 1459 1HG ARG 66 1HG ARG 66 -22.300 -27.428 -2.274 1460 2HG ARG 66 2HG ARG 66 -21.714 -25.819 -2.670 1461 1HD ARG 66 1HD ARG 66 -20.094 -27.994 -1.284 1462 2HD ARG 66 2HD ARG 66 -19.957 -27.570 -2.984 1463 HE ARG 66 HE ARG 66 -18.792 -26.214 -0.710 1464 1HH1 ARG 66 1HH2 ARG 66 -19.955 -25.667 -4.002 1465 2HH1 ARG 66 2HH2 ARG 66 -18.893 -24.316 -4.300 1466 1HH2 ARG 66 2HH1 ARG 66 -17.437 -24.426 -1.069 1467 2HH2 ARG 66 1HH1 ARG 66 -17.450 -23.591 -2.594 1468 H SER 67 H SER 67 -20.966 -24.307 -1.639 1469 HA SER 67 HA SER 67 -19.985 -22.404 -2.243 1470 1HB SER 67 1HB SER 67 -21.387 -20.774 -3.447 1471 2HB SER 67 2HB SER 67 -21.712 -22.451 -3.914 1472 HG SER 67 HG SER 67 -23.590 -22.417 -2.811 1473 H ALA 68 H ALA 68 -22.831 -20.871 -0.920 1474 HA ALA 68 HA ALA 68 -21.569 -19.808 1.447 1475 1HB ALA 68 1HB ALA 68 -21.749 -17.383 0.836 1476 2HB ALA 68 2HB ALA 68 -20.492 -18.240 -0.069 1477 3HB ALA 68 3HB ALA 68 -22.032 -17.856 -0.854 1478 H HIS 69 H HIS 69 -24.010 -18.676 -0.864 1479 HA HIS 69 HA HIS 69 -25.987 -17.721 -0.577 1480 1HB HIS 69 1HB HIS 69 -27.811 -19.270 -0.336 1481 2HB HIS 69 2HB HIS 69 -26.531 -19.895 -1.372 1482 HD1 HIS 69 HD1 HIS 69 -24.964 -21.893 -0.228 1483 HD2 HIS 69 HD2 HIS 69 -28.582 -20.847 1.658 1484 HE1 HIS 69 HE1 HIS 69 -25.498 -23.753 1.372 1485 H ALA 70 H ALA 70 -26.019 -19.688 2.423 1486 HA ALA 70 HA ALA 70 -27.686 -17.753 3.821 1487 1HB ALA 70 1HB ALA 70 -27.762 -20.136 4.401 1488 2HB ALA 70 2HB ALA 70 -26.038 -20.118 4.825 1489 3HB ALA 70 3HB ALA 70 -27.200 -19.181 5.788 1490 H ARG 71 H ARG 71 -24.224 -18.637 3.727 1491 HA ARG 71 HA ARG 71 -23.464 -16.397 5.519 1492 1HB ARG 71 1HB ARG 71 -21.774 -18.402 3.958 1493 2HB ARG 71 2HB ARG 71 -21.172 -17.157 5.042 1494 1HG ARG 71 1HG ARG 71 -21.091 -19.224 6.168 1495 2HG ARG 71 2HG ARG 71 -22.199 -18.118 6.978 1496 1HD ARG 71 1HD ARG 71 -22.889 -20.522 6.898 1497 2HD ARG 71 2HD ARG 71 -24.107 -19.392 6.304 1498 HE ARG 71 HE ARG 71 -22.992 -20.005 3.971 1499 1HH1 ARG 71 2HH1 ARG 71 -23.738 -22.359 6.570 1500 2HH1 ARG 71 1HH1 ARG 71 -24.318 -23.528 5.390 1501 1HH2 ARG 71 2HH2 ARG 71 -23.894 -21.468 2.614 1502 2HH2 ARG 71 1HH2 ARG 71 -24.423 -23.049 3.221 1503 H LYS 72 H LYS 72 -24.918 -15.311 3.578 1504 HA LYS 72 HA LYS 72 -23.987 -14.981 1.042 1505 1HB LYS 72 1HB LYS 72 -26.198 -14.228 2.009 1506 2HB LYS 72 2HB LYS 72 -25.392 -12.771 2.611 1507 1HG LYS 72 1HG LYS 72 -24.775 -12.141 0.302 1508 2HG LYS 72 2HG LYS 72 -25.424 -13.688 -0.292 1509 1HD LYS 72 1HD LYS 72 -27.689 -13.065 0.349 1510 2HD LYS 72 2HD LYS 72 -27.107 -11.583 1.125 1511 1HE LYS 72 1HE LYS 72 -28.060 -11.129 -1.120 1512 2HE LYS 72 2HE LYS 72 -26.348 -10.685 -1.029 1513 1HZ LYS 72 1HZ LYS 72 -26.893 -11.864 -3.040 1514 2HZ LYS 72 2HZ LYS 72 -25.799 -12.706 -2.144 1515 3HZ LYS 72 3HZ LYS 72 -27.377 -13.184 -2.179 1516 H GLU 73 H GLU 73 -23.119 -12.931 3.828 1517 HA GLU 73 HA GLU 73 -21.780 -10.913 2.493 1518 1HB GLU 73 1HB GLU 73 -20.931 -12.012 5.197 1519 2HB GLU 73 2HB GLU 73 -20.668 -10.395 4.525 1520 1HG GLU 73 1HG GLU 73 -23.312 -10.326 4.337 1521 2HG GLU 73 2HG GLU 73 -23.252 -11.632 5.526 1522 H THR 74 H THR 74 -20.580 -14.186 3.150 1523 HA THR 74 HA THR 74 -17.837 -13.503 2.625 1524 HB THR 74 HB THR 74 -18.488 -16.355 2.398 1525 HG1 THR 74 HG1 THR 74 -20.217 -15.945 3.665 1526 1HG2 THR 74 1HG2 THR 74 -16.978 -14.752 4.515 1527 2HG2 THR 74 2HG2 THR 74 -16.907 -16.506 4.265 1528 3HG2 THR 74 3HG2 THR 74 -16.250 -15.411 3.034 1529 H GLU 75 H GLU 75 -20.466 -13.933 0.468 1530 HA GLU 75 HA GLU 75 -19.560 -15.554 -1.560 1531 1HB GLU 75 1HB GLU 75 -21.147 -12.979 -1.606 1532 2HB GLU 75 2HB GLU 75 -20.805 -13.860 -3.096 1533 1HG GLU 75 1HG GLU 75 -21.848 -15.876 -2.298 1534 2HG GLU 75 2HG GLU 75 -22.064 -15.216 -0.674 1535 H PHE 76 H PHE 76 -18.814 -12.136 -1.124 1536 HA PHE 76 HA PHE 76 -17.030 -12.010 -3.408 1537 1HB PHE 76 1HB PHE 76 -17.021 -9.787 -1.439 1538 2HB PHE 76 2HB PHE 76 -17.182 -9.739 -3.182 1539 HD1 PHE 76 HD1 PHE 76 -19.516 -10.063 -4.219 1540 HD2 PHE 76 HD2 PHE 76 -18.914 -9.966 0.055 1541 HE1 PHE 76 HE1 PHE 76 -21.946 -10.196 -3.872 1542 HE2 PHE 76 HE2 PHE 76 -21.352 -10.206 0.379 1543 HZ PHE 76 HZ PHE 76 -22.879 -10.219 -1.551 1544 H LEU 77 H LEU 77 -16.571 -13.023 -0.177 1545 HA LEU 77 HA LEU 77 -13.809 -11.942 0.003 1546 1HB LEU 77 1HB LEU 77 -15.524 -13.291 2.099 1547 2HB LEU 77 2HB LEU 77 -13.937 -12.567 2.355 1548 HG LEU 77 HG LEU 77 -16.456 -11.051 1.515 1549 1HD1 LEU 77 1HD1 LEU 77 -16.533 -11.898 3.845 1550 2HD1 LEU 77 2HD1 LEU 77 -14.966 -11.127 4.173 1551 3HD1 LEU 77 3HD1 LEU 77 -16.386 -10.134 3.792 1552 1HD2 LEU 77 1HD2 LEU 77 -15.117 -9.017 2.034 1553 2HD2 LEU 77 2HD2 LEU 77 -13.681 -10.021 2.288 1554 3HD2 LEU 77 3HD2 LEU 77 -14.423 -9.900 0.673 1555 H ARG 78 H ARG 78 -15.580 -15.052 0.035 1556 HA ARG 78 HA ARG 78 -13.771 -16.785 1.036 1557 1HB ARG 78 1HB ARG 78 -15.531 -17.151 -1.354 1558 2HB ARG 78 2HB ARG 78 -14.616 -18.488 -0.647 1559 1HG ARG 78 1HG ARG 78 -15.673 -18.367 1.463 1560 2HG ARG 78 2HG ARG 78 -16.351 -16.771 1.143 1561 1HD ARG 78 1HD ARG 78 -17.159 -19.370 -0.177 1562 2HD ARG 78 2HD ARG 78 -18.079 -18.395 0.982 1563 HE ARG 78 HE ARG 78 -17.779 -16.531 -0.833 1564 1HH1 ARG 78 2HH1 ARG 78 -18.784 -19.846 -1.467 1565 2HH1 ARG 78 1HH1 ARG 78 -18.807 -19.656 -3.211 1566 1HH2 ARG 78 2HH2 ARG 78 -17.926 -16.212 -3.091 1567 2HH2 ARG 78 1HH2 ARG 78 -18.473 -17.504 -4.126 1568 H LEU 79 H LEU 79 -13.781 -15.815 -2.431 1569 HA LEU 79 HA LEU 79 -11.658 -17.466 -3.185 1570 1HB LEU 79 1HB LEU 79 -11.608 -16.406 -5.241 1571 2HB LEU 79 2HB LEU 79 -13.291 -16.430 -4.724 1572 HG LEU 79 HG LEU 79 -11.403 -14.021 -4.701 1573 1HD1 LEU 79 1HD1 LEU 79 -13.837 -14.692 -6.404 1574 2HD1 LEU 79 2HD1 LEU 79 -12.848 -13.222 -6.526 1575 3HD1 LEU 79 3HD1 LEU 79 -12.152 -14.797 -6.940 1576 1HD2 LEU 79 1HD2 LEU 79 -13.485 -12.706 -4.249 1577 2HD2 LEU 79 2HD2 LEU 79 -14.356 -14.216 -3.930 1578 3HD2 LEU 79 3HD2 LEU 79 -13.011 -13.707 -2.879 1579 H LYS 80 H LYS 80 -11.433 -14.453 -1.398 1580 HA LYS 80 HA LYS 80 -8.689 -13.856 -2.068 1581 1HB LYS 80 1HB LYS 80 -10.187 -13.336 0.527 1582 2HB LYS 80 2HB LYS 80 -8.637 -12.637 0.030 1583 1HG LYS 80 1HG LYS 80 -9.837 -11.698 -2.023 1584 2HG LYS 80 2HG LYS 80 -11.360 -12.149 -1.244 1585 1HD LYS 80 1HD LYS 80 -9.236 -10.226 -0.190 1586 2HD LYS 80 2HD LYS 80 -10.850 -9.811 -0.801 1587 1HE LYS 80 1HE LYS 80 -11.832 -11.147 1.113 1588 2HE LYS 80 2HE LYS 80 -10.191 -11.354 1.752 1589 1HZ LYS 80 1HZ LYS 80 -11.524 -8.782 1.312 1590 2HZ LYS 80 2HZ LYS 80 -11.281 -9.520 2.766 1591 3HZ LYS 80 3HZ LYS 80 -9.993 -8.987 1.887 1592 H ARG 81 H ARG 81 -10.295 -16.120 0.210 1593 HA ARG 81 HA ARG 81 -7.910 -16.879 1.629 1594 1HB ARG 81 1HB ARG 81 -10.472 -17.464 2.080 1595 2HB ARG 81 2HB ARG 81 -10.147 -18.839 1.035 1596 1HG ARG 81 1HG ARG 81 -9.136 -18.195 3.775 1597 2HG ARG 81 2HG ARG 81 -9.838 -19.686 3.166 1598 1HD ARG 81 1HD ARG 81 -6.989 -18.663 2.807 1599 2HD ARG 81 2HD ARG 81 -7.502 -20.017 3.791 1600 HE ARG 81 HE ARG 81 -6.917 -19.949 0.967 1601 1HH1 ARG 81 1HH1 ARG 81 -8.875 -21.719 3.297 1602 2HH1 ARG 81 2HH1 ARG 81 -8.648 -23.268 2.525 1603 1HH2 ARG 81 1HH2 ARG 81 -6.480 -21.997 0.006 1604 2HH2 ARG 81 2HH2 ARG 81 -7.336 -23.394 0.580 1605 H THR 82 H THR 82 -9.710 -18.242 -1.208 1606 HA THR 82 HA THR 82 -7.964 -20.345 -1.726 1607 HB THR 82 HB THR 82 -9.477 -18.747 -3.839 1608 HG1 THR 82 HG1 THR 82 -10.455 -20.609 -1.935 1609 1HG2 THR 82 1HG2 THR 82 -8.134 -20.637 -4.691 1610 2HG2 THR 82 2HG2 THR 82 -8.911 -21.733 -3.529 1611 3HG2 THR 82 3HG2 THR 82 -9.870 -20.977 -4.821 1612 H ARG 83 H ARG 83 -7.835 -16.955 -2.877 1613 HA ARG 83 HA ARG 83 -5.592 -17.410 -4.613 1614 1HB ARG 83 1HB ARG 83 -7.406 -15.629 -4.679 1615 2HB ARG 83 2HB ARG 83 -6.536 -14.777 -3.397 1616 1HG ARG 83 1HG ARG 83 -4.587 -14.556 -4.838 1617 2HG ARG 83 2HG ARG 83 -5.332 -15.553 -6.102 1618 1HD ARG 83 1HD ARG 83 -6.397 -12.872 -5.130 1619 2HD ARG 83 2HD ARG 83 -5.538 -13.149 -6.663 1620 HE ARG 83 HE ARG 83 -7.566 -14.948 -6.816 1621 1HH1 ARG 83 2HH1 ARG 83 -7.524 -11.413 -6.355 1622 2HH1 ARG 83 1HH1 ARG 83 -9.219 -11.268 -6.827 1623 1HH2 ARG 83 1HH2 ARG 83 -9.743 -14.628 -7.501 1624 2HH2 ARG 83 2HH2 ARG 83 -10.394 -12.991 -7.514 1625 H LEU 84 H LEU 84 -5.889 -16.323 -1.199 1626 HA LEU 84 HA LEU 84 -3.094 -15.715 -0.895 1627 1HB LEU 84 1HB LEU 84 -4.864 -14.800 0.556 1628 2HB LEU 84 2HB LEU 84 -5.294 -16.425 1.089 1629 HG LEU 84 HG LEU 84 -3.088 -16.661 2.205 1630 1HD1 LEU 84 1HD1 LEU 84 -2.696 -13.743 1.388 1631 2HD1 LEU 84 2HD1 LEU 84 -1.673 -14.650 2.520 1632 3HD1 LEU 84 3HD1 LEU 84 -1.735 -15.130 0.821 1633 1HD2 LEU 84 1HD2 LEU 84 -3.570 -15.094 4.037 1634 2HD2 LEU 84 2HD2 LEU 84 -4.658 -14.169 2.979 1635 3HD2 LEU 84 3HD2 LEU 84 -5.060 -15.839 3.432 1636 H GLY 85 H GLY 85 -5.063 -18.594 -0.374 1637 1HA GLY 85 1HA GLY 85 -2.681 -20.285 0.311 1638 2HA GLY 85 2HA GLY 85 -4.321 -20.499 0.950 1639 H LEU 86 H LEU 86 -2.764 -19.979 -2.192 1640 HA LEU 86 HA LEU 86 -4.591 -21.416 -3.797 1641 1HB LEU 86 1HB LEU 86 -2.793 -19.642 -4.361 1642 2HB LEU 86 2HB LEU 86 -1.632 -20.954 -4.380 1643 HG LEU 86 HG LEU 86 -2.201 -20.516 -6.591 1644 1HD1 LEU 86 1HD1 LEU 86 -3.967 -22.901 -5.958 1645 2HD1 LEU 86 2HD1 LEU 86 -3.178 -22.506 -7.493 1646 3HD1 LEU 86 3HD1 LEU 86 -2.187 -22.933 -6.089 1647 1HD2 LEU 86 1HD2 LEU 86 -5.169 -20.633 -5.903 1648 2HD2 LEU 86 2HD2 LEU 86 -4.223 -19.155 -6.179 1649 3HD2 LEU 86 3HD2 LEU 86 -4.459 -20.310 -7.498 1650 H GLU 87 H GLU 87 -1.252 -22.393 -2.890 1651 HA GLU 87 HA GLU 87 -1.863 -25.245 -3.308 1652 1HB GLU 87 1HB GLU 87 0.616 -23.805 -2.262 1653 2HB GLU 87 2HB GLU 87 0.502 -25.539 -2.587 1654 1HG GLU 87 1HG GLU 87 0.107 -23.372 -4.715 1655 2HG GLU 87 2HG GLU 87 1.613 -24.241 -4.422 1656 1H LYS 62 H1 LYS 62 26.674 20.952 5.459 1657 2H LYS 62 H2 LYS 62 25.912 21.570 6.772 1658 3H LYS 62 H3 LYS 62 25.019 20.978 5.511 1659 HA LYS 62 HA LYS 62 25.058 19.496 7.391 1660 1HB LYS 62 1HB LYS 62 25.705 17.449 6.159 1661 2HB LYS 62 2HB LYS 62 24.668 18.532 5.222 1662 1HG LYS 62 1HG LYS 62 26.604 19.361 3.953 1663 2HG LYS 62 2HG LYS 62 27.703 18.369 4.931 1664 1HD LYS 62 1HD LYS 62 26.599 16.308 4.100 1665 2HD LYS 62 2HD LYS 62 25.421 17.285 3.211 1666 1HE LYS 62 1HE LYS 62 27.136 16.462 1.683 1667 2HE LYS 62 2HE LYS 62 27.222 18.226 1.797 1668 1HZ LYS 62 1HZ LYS 62 28.960 16.333 3.227 1669 2HZ LYS 62 2HZ LYS 62 29.372 17.198 1.887 1670 3HZ LYS 62 3HZ LYS 62 29.059 17.978 3.301 1671 H ARG 63 H ARG 63 26.297 17.905 8.588 1672 HA ARG 63 HA ARG 63 27.863 17.361 10.056 1673 1HB ARG 63 1HB ARG 63 29.917 18.267 8.023 1674 2HB ARG 63 2HB ARG 63 30.196 17.187 9.387 1675 1HG ARG 63 1HG ARG 63 28.236 16.528 7.135 1676 2HG ARG 63 2HG ARG 63 29.944 16.162 7.063 1677 1HD ARG 63 1HD ARG 63 28.663 14.182 7.758 1678 2HD ARG 63 2HD ARG 63 29.871 14.682 8.933 1679 HE ARG 63 HE ARG 63 28.260 14.840 10.490 1680 1HH1 ARG 63 2HH2 ARG 63 26.644 15.230 7.379 1681 2HH1 ARG 63 1HH2 ARG 63 25.037 15.273 8.065 1682 1HH2 ARG 63 2HH1 ARG 63 26.197 14.787 11.383 1683 2HH2 ARG 63 1HH1 ARG 63 24.780 15.065 10.400 1684 H LEU 64 H LEU 64 29.119 20.429 8.692 1685 HA LEU 64 HA LEU 64 30.013 21.538 11.167 1686 1HB LEU 64 1HB LEU 64 28.789 22.935 8.751 1687 2HB LEU 64 2HB LEU 64 29.737 23.708 10.028 1688 HG LEU 64 HG LEU 64 30.767 21.622 8.042 1689 1HD1 LEU 64 1HD1 LEU 64 32.037 23.501 7.105 1690 2HD1 LEU 64 2HD1 LEU 64 30.297 23.828 7.042 1691 3HD1 LEU 64 3HD1 LEU 64 31.302 24.610 8.281 1692 1HD2 LEU 64 1HD2 LEU 64 32.019 21.403 10.137 1693 2HD2 LEU 64 2HD2 LEU 64 33.016 22.245 8.950 1694 3HD2 LEU 64 3HD2 LEU 64 32.219 23.168 10.240 1695 H ARG 65 H ARG 65 28.836 21.869 12.933 1696 HA ARG 65 HA ARG 65 27.202 22.371 14.377 1697 1HB ARG 65 1HB ARG 65 25.741 23.685 12.067 1698 2HB ARG 65 2HB ARG 65 25.436 23.900 13.795 1699 1HG ARG 65 1HG ARG 65 27.511 25.048 14.131 1700 2HG ARG 65 2HG ARG 65 28.087 24.654 12.499 1701 1HD ARG 65 1HD ARG 65 27.210 26.980 12.649 1702 2HD ARG 65 2HD ARG 65 26.391 25.962 11.460 1703 HE ARG 65 HE ARG 65 25.303 26.363 14.225 1704 1HH1 ARG 65 2HH2 ARG 65 24.783 26.806 10.735 1705 2HH1 ARG 65 1HH2 ARG 65 23.084 27.135 10.914 1706 1HH2 ARG 65 2HH1 ARG 65 23.098 26.753 14.428 1707 2HH2 ARG 65 1HH1 ARG 65 22.108 27.081 13.035 1708 H ARG 66 H ARG 66 26.795 20.064 12.107 1709 HA ARG 66 HA ARG 66 24.061 19.209 13.049 1710 1HB ARG 66 1HB ARG 66 25.592 18.857 10.477 1711 2HB ARG 66 2HB ARG 66 24.577 17.536 11.043 1712 1HG ARG 66 1HG ARG 66 23.335 18.762 9.481 1713 2HG ARG 66 2HG ARG 66 22.596 19.007 11.062 1714 1HD ARG 66 1HD ARG 66 24.515 21.018 9.782 1715 2HD ARG 66 2HD ARG 66 22.756 21.017 9.510 1716 HE ARG 66 HE ARG 66 23.431 20.978 12.319 1717 1HH1 ARG 66 1HH2 ARG 66 23.143 23.174 9.561 1718 2HH1 ARG 66 2HH2 ARG 66 22.946 24.589 10.563 1719 1HH2 ARG 66 2HH1 ARG 66 23.312 22.750 13.571 1720 2HH2 ARG 66 1HH1 ARG 66 22.975 24.343 12.920 1721 H SER 67 H SER 67 27.187 17.911 11.987 1722 HA SER 67 HA SER 67 28.419 16.122 12.602 1723 1HB SER 67 1HB SER 67 27.907 17.539 15.243 1724 2HB SER 67 2HB SER 67 29.220 16.376 14.945 1725 HG SER 67 HG SER 67 28.859 18.556 13.177 1726 H ALA 68 H ALA 68 26.701 15.868 15.695 1727 HA ALA 68 HA ALA 68 26.403 13.056 15.564 1728 1HB ALA 68 1HB ALA 68 24.839 15.123 17.172 1729 2HB ALA 68 2HB ALA 68 24.904 13.377 17.497 1730 3HB ALA 68 3HB ALA 68 26.372 14.361 17.659 1731 H HIS 69 H HIS 69 24.388 15.676 14.335 1732 HA HIS 69 HA HIS 69 22.036 14.050 13.782 1733 1HB HIS 69 1HB HIS 69 22.887 16.745 12.681 1734 2HB HIS 69 2HB HIS 69 21.291 16.007 12.532 1735 HD1 HIS 69 HD1 HIS 69 23.530 17.724 15.118 1736 HD2 HIS 69 HD2 HIS 69 19.706 16.005 14.735 1737 HE1 HIS 69 HE1 HIS 69 22.211 18.382 17.213 1738 H ALA 70 H ALA 70 23.791 12.376 12.880 1739 HA ALA 70 HA ALA 70 24.389 12.812 9.994 1740 1HB ALA 70 1HB ALA 70 25.086 10.508 11.853 1741 2HB ALA 70 2HB ALA 70 25.629 10.725 10.177 1742 3HB ALA 70 3HB ALA 70 26.145 11.869 11.429 1743 H ARG 71 H ARG 71 21.741 12.974 10.414 1744 HA ARG 71 HA ARG 71 20.450 10.331 10.087 1745 1HB ARG 71 1HB ARG 71 19.304 13.148 9.980 1746 2HB ARG 71 2HB ARG 71 18.381 11.651 10.064 1747 1HG ARG 71 1HG ARG 71 20.190 12.794 12.242 1748 2HG ARG 71 2HG ARG 71 18.431 12.776 12.205 1749 1HD ARG 71 1HD ARG 71 18.949 10.996 13.655 1750 2HD ARG 71 2HD ARG 71 18.549 10.221 12.128 1751 HE ARG 71 HE ARG 71 20.684 9.406 11.979 1752 1HH1 ARG 71 2HH1 ARG 71 20.687 11.967 14.426 1753 2HH1 ARG 71 1HH1 ARG 71 22.409 11.827 14.741 1754 1HH2 ARG 71 1HH2 ARG 71 22.892 9.178 12.471 1755 2HH2 ARG 71 2HH2 ARG 71 23.609 10.117 13.759 1756 H LYS 72 H LYS 72 22.150 10.273 8.221 1757 HA LYS 72 HA LYS 72 22.070 11.819 5.957 1758 1HB LYS 72 1HB LYS 72 22.598 8.821 6.066 1759 2HB LYS 72 2HB LYS 72 23.015 9.900 4.733 1760 1HG LYS 72 1HG LYS 72 24.368 11.280 6.481 1761 2HG LYS 72 2HG LYS 72 24.115 9.908 7.569 1762 1HD LYS 72 1HD LYS 72 26.106 9.244 6.709 1763 2HD LYS 72 2HD LYS 72 25.070 8.512 5.481 1764 1HE LYS 72 1HE LYS 72 26.536 11.200 5.306 1765 2HE LYS 72 2HE LYS 72 26.975 9.702 4.472 1766 1HZ LYS 72 1HZ LYS 72 24.860 9.828 3.321 1767 2HZ LYS 72 2HZ LYS 72 24.549 11.292 4.018 1768 3HZ LYS 72 3HZ LYS 72 25.833 11.117 3.002 1769 H GLU 73 H GLU 73 19.888 9.120 6.661 1770 HA GLU 73 HA GLU 73 18.628 8.719 4.260 1771 1HB GLU 73 1HB GLU 73 16.666 8.056 5.490 1772 2HB GLU 73 2HB GLU 73 18.128 7.364 6.169 1773 1HG GLU 73 1HG GLU 73 16.781 9.832 7.373 1774 2HG GLU 73 2HG GLU 73 16.340 8.182 7.789 1775 H THR 74 H THR 74 18.283 11.540 6.358 1776 HA THR 74 HA THR 74 15.926 12.647 5.372 1777 HB THR 74 HB THR 74 17.348 13.418 7.326 1778 HG1 THR 74 HG1 THR 74 16.255 15.250 5.472 1779 1HG2 THR 74 1HG2 THR 74 18.983 15.140 7.008 1780 2HG2 THR 74 2HG2 THR 74 19.500 13.786 5.988 1781 3HG2 THR 74 3HG2 THR 74 18.717 15.201 5.259 1782 H GLU 75 H GLU 75 19.142 12.548 3.849 1783 HA GLU 75 HA GLU 75 18.925 14.678 2.022 1784 1HB GLU 75 1HB GLU 75 20.246 11.939 1.775 1785 2HB GLU 75 2HB GLU 75 20.539 13.274 0.659 1786 1HG GLU 75 1HG GLU 75 21.612 14.601 2.309 1787 2HG GLU 75 2HG GLU 75 20.985 13.641 3.650 1788 H PHE 76 H PHE 76 17.947 11.273 1.664 1789 HA PHE 76 HA PHE 76 16.788 11.737 -0.989 1790 1HB PHE 76 1HB PHE 76 16.346 9.180 0.519 1791 2HB PHE 76 2HB PHE 76 16.668 9.443 -1.190 1792 HD1 PHE 76 HD1 PHE 76 19.007 9.699 -2.015 1793 HD2 PHE 76 HD2 PHE 76 18.120 9.005 2.132 1794 HE1 PHE 76 HE1 PHE 76 21.402 9.267 -1.579 1795 HE2 PHE 76 HE2 PHE 76 20.557 8.905 2.627 1796 HZ PHE 76 HZ PHE 76 22.175 8.824 0.771 1797 H LEU 77 H LEU 77 15.707 10.968 2.346 1798 HA LEU 77 HA LEU 77 12.930 10.785 1.664 1799 1HB LEU 77 1HB LEU 77 14.276 11.288 4.335 1800 2HB LEU 77 2HB LEU 77 12.566 10.905 4.123 1801 HG LEU 77 HG LEU 77 14.860 9.053 3.326 1802 1HD1 LEU 77 1HD1 LEU 77 12.930 8.918 5.679 1803 2HD1 LEU 77 2HD1 LEU 77 14.640 9.385 5.780 1804 3HD1 LEU 77 3HD1 LEU 77 14.199 7.741 5.281 1805 1HD2 LEU 77 1HD2 LEU 77 12.905 8.584 1.939 1806 2HD2 LEU 77 2HD2 LEU 77 13.057 7.335 3.174 1807 3HD2 LEU 77 3HD2 LEU 77 11.841 8.614 3.367 1808 H ARG 78 H ARG 78 14.924 13.613 2.090 1809 HA ARG 78 HA ARG 78 13.241 15.586 2.861 1810 1HB ARG 78 1HB ARG 78 15.616 15.688 1.866 1811 2HB ARG 78 2HB ARG 78 14.875 15.794 0.288 1812 1HG ARG 78 1HG ARG 78 14.392 17.709 2.638 1813 2HG ARG 78 2HG ARG 78 15.649 17.932 1.422 1814 1HD ARG 78 1HD ARG 78 12.666 17.993 0.927 1815 2HD ARG 78 2HD ARG 78 13.776 19.352 0.887 1816 HE ARG 78 HE ARG 78 14.897 17.674 -0.930 1817 1HH1 ARG 78 1HH1 ARG 78 11.538 18.863 -0.648 1818 2HH1 ARG 78 2HH1 ARG 78 11.399 19.161 -2.356 1819 1HH2 ARG 78 2HH2 ARG 78 14.602 17.889 -3.150 1820 2HH2 ARG 78 1HH2 ARG 78 13.116 18.513 -3.807 1821 H LEU 79 H LEU 79 13.158 13.969 -0.343 1822 HA LEU 79 HA LEU 79 11.118 15.589 -1.504 1823 1HB LEU 79 1HB LEU 79 12.048 12.728 -1.987 1824 2HB LEU 79 2HB LEU 79 10.756 13.475 -2.918 1825 HG LEU 79 HG LEU 79 12.948 13.481 -4.045 1826 1HD1 LEU 79 1HD1 LEU 79 12.764 15.740 -4.934 1827 2HD1 LEU 79 2HD1 LEU 79 11.160 15.028 -4.697 1828 3HD1 LEU 79 3HD1 LEU 79 11.769 16.245 -3.557 1829 1HD2 LEU 79 1HD2 LEU 79 14.676 15.079 -3.456 1830 2HD2 LEU 79 2HD2 LEU 79 13.765 15.624 -2.049 1831 3HD2 LEU 79 3HD2 LEU 79 14.413 13.971 -2.097 1832 H LYS 80 H LYS 80 10.914 12.464 0.209 1833 HA LYS 80 HA LYS 80 8.093 12.130 0.102 1834 1HB LYS 80 1HB LYS 80 9.752 10.391 0.638 1835 2HB LYS 80 2HB LYS 80 10.114 11.154 2.183 1836 1HG LYS 80 1HG LYS 80 7.330 10.166 1.438 1837 2HG LYS 80 2HG LYS 80 8.583 9.131 2.145 1838 1HD LYS 80 1HD LYS 80 8.757 10.732 4.094 1839 2HD LYS 80 2HD LYS 80 7.289 11.528 3.504 1840 1HE LYS 80 1HE LYS 80 7.539 8.582 4.267 1841 2HE LYS 80 2HE LYS 80 6.779 9.854 5.231 1842 1HZ LYS 80 1HZ LYS 80 5.211 10.172 3.447 1843 2HZ LYS 80 2HZ LYS 80 5.880 8.932 2.592 1844 3HZ LYS 80 3HZ LYS 80 5.156 8.639 4.041 1845 H ARG 81 H ARG 81 10.216 13.616 2.550 1846 HA ARG 81 HA ARG 81 8.307 14.415 4.439 1847 1HB ARG 81 1HB ARG 81 10.919 14.514 4.440 1848 2HB ARG 81 2HB ARG 81 10.729 16.114 3.729 1849 1HG ARG 81 1HG ARG 81 9.665 15.131 6.413 1850 2HG ARG 81 2HG ARG 81 11.049 16.194 6.149 1851 1HD ARG 81 1HD ARG 81 8.120 16.846 5.696 1852 2HD ARG 81 2HD ARG 81 9.190 17.508 6.906 1853 HE ARG 81 HE ARG 81 10.592 18.391 4.956 1854 1HH1 ARG 81 1HH1 ARG 81 7.132 18.043 4.449 1855 2HH1 ARG 81 2HH1 ARG 81 6.835 19.714 4.044 1856 1HH2 ARG 81 2HH2 ARG 81 10.332 20.449 4.028 1857 2HH2 ARG 81 1HH2 ARG 81 8.749 21.021 3.571 1858 H THR 82 H THR 82 9.534 16.142 1.547 1859 HA THR 82 HA THR 82 7.997 18.511 1.879 1860 HB THR 82 HB THR 82 9.013 17.311 -0.721 1861 HG1 THR 82 HG1 THR 82 10.597 17.598 0.927 1862 1HG2 THR 82 1HG2 THR 82 7.420 19.184 -1.068 1863 2HG2 THR 82 2HG2 THR 82 8.335 20.177 0.087 1864 3HG2 THR 82 3HG2 THR 82 9.077 19.681 -1.446 1865 H ARG 83 H ARG 83 7.281 15.494 -0.034 1866 HA ARG 83 HA ARG 83 4.741 16.457 -0.914 1867 1HB ARG 83 1HB ARG 83 5.915 13.672 -0.520 1868 2HB ARG 83 2HB ARG 83 4.281 13.952 -1.120 1869 1HG ARG 83 1HG ARG 83 5.134 15.289 -2.996 1870 2HG ARG 83 2HG ARG 83 6.803 14.998 -2.465 1871 1HD ARG 83 1HD ARG 83 4.829 12.747 -3.061 1872 2HD ARG 83 2HD ARG 83 5.843 13.428 -4.310 1873 HE ARG 83 HE ARG 83 6.608 11.716 -2.031 1874 1HH1 ARG 83 2HH2 ARG 83 7.789 13.857 -4.617 1875 2HH1 ARG 83 1HH2 ARG 83 9.344 13.042 -4.712 1876 1HH2 ARG 83 1HH1 ARG 83 8.757 10.808 -2.094 1877 2HH2 ARG 83 2HH1 ARG 83 9.887 11.426 -3.293 1878 H LEU 84 H LEU 84 5.710 14.700 2.070 1879 HA LEU 84 HA LEU 84 2.999 14.203 2.888 1880 1HB LEU 84 1HB LEU 84 4.904 12.876 3.583 1881 2HB LEU 84 2HB LEU 84 5.613 14.229 4.460 1882 HG LEU 84 HG LEU 84 2.802 13.399 5.191 1883 1HD1 LEU 84 1HD1 LEU 84 5.288 11.826 5.979 1884 2HD1 LEU 84 2HD1 LEU 84 3.671 11.628 6.688 1885 3HD1 LEU 84 3HD1 LEU 84 3.934 11.241 4.981 1886 1HD2 LEU 84 1HD2 LEU 84 3.910 15.298 6.404 1887 2HD2 LEU 84 2HD2 LEU 84 3.606 13.929 7.473 1888 3HD2 LEU 84 3HD2 LEU 84 5.241 14.217 6.852 1889 H GLY 85 H GLY 85 5.334 16.776 3.560 1890 1HA GLY 85 1HA GLY 85 3.292 18.328 5.132 1891 2HA GLY 85 2HA GLY 85 5.040 18.423 5.338 1892 H LEU 86 H LEU 86 2.773 18.454 2.618 1893 HA LEU 86 HA LEU 86 4.215 20.147 0.927 1894 1HB LEU 86 1HB LEU 86 2.207 20.131 -0.452 1895 2HB LEU 86 2HB LEU 86 2.703 18.543 0.090 1896 HG LEU 86 HG LEU 86 0.200 19.313 0.023 1897 1HD1 LEU 86 1HD1 LEU 86 -0.432 17.557 1.494 1898 2HD1 LEU 86 2HD1 LEU 86 0.944 17.097 0.493 1899 3HD1 LEU 86 3HD1 LEU 86 1.182 17.479 2.213 1900 1HD2 LEU 86 1HD2 LEU 86 0.826 19.969 2.937 1901 2HD2 LEU 86 2HD2 LEU 86 0.288 21.139 1.712 1902 3HD2 LEU 86 3HD2 LEU 86 -0.773 19.825 2.204 1903 H GLU 87 H GLU 87 3.508 21.470 3.621 1904 HA GLU 87 HA GLU 87 1.632 23.599 3.075 1905 1HB GLU 87 1HB GLU 87 3.803 23.293 5.199 1906 2HB GLU 87 2HB GLU 87 2.532 24.528 5.194 1907 1HG GLU 87 1HG GLU 87 0.790 22.783 5.335 1908 2HG GLU 87 2HG GLU 87 2.019 21.510 5.301 Start of MODEL 16 1 1H SER 1 1H SER 1 10.876 3.448 -14.184 2 2H SER 1 2H SER 1 10.423 2.080 -13.394 3 3H SER 1 3H SER 1 9.621 2.560 -14.758 4 HA SER 1 HA SER 1 9.688 3.996 -12.197 5 1HB SER 1 1HB SER 1 8.233 4.674 -14.739 6 2HB SER 1 2HB SER 1 8.284 5.675 -13.261 7 HG SER 1 HG SER 1 10.634 5.751 -13.601 8 H GLU 2 H GLU 2 8.641 1.211 -13.274 9 HA GLU 2 HA GLU 2 5.909 1.301 -13.577 10 1HB GLU 2 1HB GLU 2 7.435 -0.634 -14.071 11 2HB GLU 2 2HB GLU 2 7.438 -1.024 -12.346 12 1HG GLU 2 1HG GLU 2 5.832 -2.425 -13.575 13 2HG GLU 2 2HG GLU 2 4.967 -1.384 -12.438 14 H LEU 3 H LEU 3 7.645 1.207 -10.445 15 HA LEU 3 HA LEU 3 5.227 0.600 -8.904 16 1HB LEU 3 1HB LEU 3 7.833 1.907 -8.011 17 2HB LEU 3 2HB LEU 3 6.472 1.463 -6.968 18 HG LEU 3 HG LEU 3 8.181 -0.509 -8.525 19 1HD1 LEU 3 1HD1 LEU 3 9.375 0.603 -6.672 20 2HD1 LEU 3 2HD1 LEU 3 8.025 0.248 -5.571 21 3HD1 LEU 3 3HD1 LEU 3 8.993 -1.071 -6.240 22 1HD2 LEU 3 1HD2 LEU 3 5.936 -0.979 -6.545 23 2HD2 LEU 3 2HD2 LEU 3 5.952 -1.426 -8.274 24 3HD2 LEU 3 3HD2 LEU 3 7.060 -2.216 -7.156 25 H GLU 4 H GLU 4 7.100 3.545 -9.795 26 HA GLU 4 HA GLU 4 5.361 5.337 -8.442 27 1HB GLU 4 1HB GLU 4 7.554 5.975 -9.290 28 2HB GLU 4 2HB GLU 4 6.993 5.881 -10.961 29 1HG GLU 4 1HG GLU 4 5.524 7.581 -8.897 30 2HG GLU 4 2HG GLU 4 7.031 8.170 -9.582 31 H LYS 5 H LYS 5 5.161 3.884 -11.679 32 HA LYS 5 HA LYS 5 3.020 5.470 -12.644 33 1HB LYS 5 1HB LYS 5 4.489 4.126 -14.089 34 2HB LYS 5 2HB LYS 5 3.829 2.641 -13.412 35 1HG LYS 5 1HG LYS 5 2.869 3.169 -15.611 36 2HG LYS 5 2HG LYS 5 1.646 3.056 -14.350 37 1HD LYS 5 1HD LYS 5 1.204 4.907 -15.901 38 2HD LYS 5 2HD LYS 5 1.420 5.497 -14.257 39 1HE LYS 5 1HE LYS 5 3.746 6.205 -14.803 40 2HE LYS 5 2HE LYS 5 3.582 5.509 -16.426 41 1HZ LYS 5 1HZ LYS 5 1.994 7.723 -15.333 42 2HZ LYS 5 2HZ LYS 5 3.236 7.858 -16.406 43 3HZ LYS 5 3HZ LYS 5 1.847 7.091 -16.850 44 H ALA 6 H ALA 6 3.064 2.184 -11.223 45 HA ALA 6 HA ALA 6 0.304 1.693 -11.013 46 1HB ALA 6 1HB ALA 6 1.002 0.175 -9.147 47 2HB ALA 6 2HB ALA 6 2.047 0.033 -10.581 48 3HB ALA 6 3HB ALA 6 2.612 0.938 -9.169 49 H VAL 7 H VAL 7 2.488 3.243 -8.636 50 HA VAL 7 HA VAL 7 0.616 3.860 -6.640 51 HB VAL 7 HB VAL 7 3.282 4.991 -7.494 52 1HG1 VAL 7 1HG1 VAL 7 3.370 6.190 -5.337 53 2HG1 VAL 7 2HG1 VAL 7 2.272 6.930 -6.521 54 3HG1 VAL 7 3HG1 VAL 7 1.622 5.964 -5.176 55 1HG2 VAL 7 1HG2 VAL 7 2.349 3.485 -5.014 56 2HG2 VAL 7 2HG2 VAL 7 3.115 2.718 -6.405 57 3HG2 VAL 7 3HG2 VAL 7 4.025 3.888 -5.436 58 H VAL 8 H VAL 8 1.682 6.085 -9.346 59 HA VAL 8 HA VAL 8 -0.268 8.019 -8.535 60 HB VAL 8 HB VAL 8 0.020 9.148 -10.617 61 1HG1 VAL 8 1HG1 VAL 8 2.666 8.247 -9.415 62 2HG1 VAL 8 2HG1 VAL 8 2.373 9.724 -10.355 63 3HG1 VAL 8 3HG1 VAL 8 1.596 9.513 -8.779 64 1HG2 VAL 8 1HG2 VAL 8 1.861 6.916 -11.484 65 2HG2 VAL 8 2HG2 VAL 8 0.269 7.255 -12.189 66 3HG2 VAL 8 3HG2 VAL 8 1.582 8.436 -12.339 67 H ALA 9 H ALA 9 -0.592 5.132 -10.653 68 HA ALA 9 HA ALA 9 -3.214 5.814 -11.561 69 1HB ALA 9 1HB ALA 9 -3.587 3.488 -11.963 70 2HB ALA 9 2HB ALA 9 -1.932 3.902 -12.466 71 3HB ALA 9 3HB ALA 9 -2.220 3.008 -10.955 72 H LEU 10 H LEU 10 -2.141 4.104 -8.559 73 HA LEU 10 HA LEU 10 -4.727 3.657 -7.479 74 1HB LEU 10 1HB LEU 10 -2.258 4.422 -5.862 75 2HB LEU 10 2HB LEU 10 -3.713 3.638 -5.267 76 HG LEU 10 HG LEU 10 -1.667 2.418 -7.154 77 1HD1 LEU 10 1HD1 LEU 10 -1.162 0.965 -5.254 78 2HD1 LEU 10 2HD1 LEU 10 -0.923 2.666 -4.817 79 3HD1 LEU 10 3HD1 LEU 10 -2.378 1.804 -4.267 80 1HD2 LEU 10 1HD2 LEU 10 -3.878 1.503 -7.694 81 2HD2 LEU 10 2HD2 LEU 10 -2.914 0.302 -6.826 82 3HD2 LEU 10 3HD2 LEU 10 -4.181 1.193 -5.960 83 H ILE 11 H ILE 11 -2.581 6.498 -7.030 84 HA ILE 11 HA ILE 11 -4.419 8.004 -5.443 85 HB ILE 11 HB ILE 11 -2.209 8.990 -7.285 86 1HG1 ILE 11 1HG1 ILE 11 -2.247 8.372 -4.289 87 2HG1 ILE 11 2HG1 ILE 11 -1.467 7.393 -5.525 88 1HG2 ILE 11 1HG2 ILE 11 -3.654 10.403 -4.995 89 2HG2 ILE 11 2HG2 ILE 11 -2.270 11.048 -5.903 90 3HG2 ILE 11 3HG2 ILE 11 -3.804 10.816 -6.716 91 1HD1 ILE 11 1HD1 ILE 11 0.235 8.664 -4.506 92 2HD1 ILE 11 2HD1 ILE 11 -0.008 9.342 -6.126 93 3HD1 ILE 11 3HD1 ILE 11 -0.643 10.186 -4.690 94 H ASP 12 H ASP 12 -3.821 8.106 -8.970 95 HA ASP 12 HA ASP 12 -5.556 10.143 -9.684 96 1HB ASP 12 1HB ASP 12 -3.975 9.182 -11.243 97 2HB ASP 12 2HB ASP 12 -4.846 7.639 -11.241 98 H VAL 13 H VAL 13 -6.218 6.627 -9.532 99 HA VAL 13 HA VAL 13 -8.997 6.810 -10.196 100 HB VAL 13 HB VAL 13 -7.284 4.695 -8.831 101 1HG1 VAL 13 1HG1 VAL 13 -10.163 4.486 -9.835 102 2HG1 VAL 13 2HG1 VAL 13 -9.127 3.118 -9.381 103 3HG1 VAL 13 3HG1 VAL 13 -9.616 4.294 -8.155 104 1HG2 VAL 13 1HG2 VAL 13 -7.259 3.629 -10.952 105 2HG2 VAL 13 2HG2 VAL 13 -8.460 4.753 -11.638 106 3HG2 VAL 13 3HG2 VAL 13 -6.818 5.305 -11.270 107 H PHE 14 H PHE 14 -7.330 6.375 -6.998 108 HA PHE 14 HA PHE 14 -9.692 6.242 -5.486 109 1HB PHE 14 1HB PHE 14 -7.508 5.667 -4.585 110 2HB PHE 14 2HB PHE 14 -6.953 7.329 -4.746 111 HD1 PHE 14 HD1 PHE 14 -9.083 5.028 -2.792 112 HD2 PHE 14 HD2 PHE 14 -7.817 9.130 -3.235 113 HE1 PHE 14 HE1 PHE 14 -9.967 5.567 -0.533 114 HE2 PHE 14 HE2 PHE 14 -8.670 9.637 -0.994 115 HZ PHE 14 HZ PHE 14 -9.707 7.846 0.389 116 H HIS 15 H HIS 15 -7.680 9.182 -6.148 117 HA HIS 15 HA HIS 15 -9.285 10.747 -4.434 118 1HB HIS 15 1HB HIS 15 -8.021 12.554 -4.898 119 2HB HIS 15 2HB HIS 15 -6.893 11.220 -5.149 120 HD1 HIS 15 HD1 HIS 15 -6.917 10.507 -7.993 121 HD2 HIS 15 HD2 HIS 15 -8.134 14.338 -6.757 122 HE1 HIS 15 HE1 HIS 15 -6.985 11.988 -10.099 123 H GLN 16 H GLN 16 -9.526 10.297 -8.006 124 HA GLN 16 HA GLN 16 -11.469 12.374 -8.287 125 1HB GLN 16 1HB GLN 16 -11.923 11.574 -10.460 126 2HB GLN 16 2HB GLN 16 -10.184 11.441 -10.170 127 1HG GLN 16 1HG GLN 16 -10.559 8.997 -9.645 128 2HG GLN 16 2HG GLN 16 -12.249 9.196 -10.142 129 1HE2 GLN 16 2HE2 GLN 16 -8.871 9.458 -11.210 130 2HE2 GLN 16 1HE2 GLN 16 -9.193 9.142 -12.911 131 H TYR 17 H TYR 17 -11.841 8.824 -7.738 132 HA TYR 17 HA TYR 17 -14.690 8.745 -7.674 133 1HB TYR 17 1HB TYR 17 -12.501 7.060 -6.478 134 2HB TYR 17 2HB TYR 17 -14.165 6.833 -5.976 135 HD1 TYR 17 HD1 TYR 17 -12.174 7.014 -9.191 136 HD2 TYR 17 HD2 TYR 17 -15.590 5.394 -7.128 137 HE1 TYR 17 HE1 TYR 17 -12.426 5.317 -10.961 138 HE2 TYR 17 HE2 TYR 17 -15.937 3.808 -9.010 139 HH TYR 17 HH TYR 17 -13.542 3.295 -11.548 140 H SER 18 H SER 18 -12.331 9.138 -5.012 141 HA SER 18 HA SER 18 -14.113 9.738 -2.893 142 1HB SER 18 1HB SER 18 -11.293 10.707 -3.408 143 2HB SER 18 2HB SER 18 -12.134 10.721 -1.848 144 HG SER 18 HG SER 18 -11.217 8.538 -3.381 145 H GLY 19 H GLY 19 -13.048 11.802 -5.581 146 1HA GLY 19 1HA GLY 19 -13.903 14.305 -4.391 147 2HA GLY 19 2HA GLY 19 -13.498 13.972 -6.087 148 H ARG 20 H ARG 20 -15.280 11.891 -6.688 149 HA ARG 20 HA ARG 20 -17.509 13.438 -7.426 150 1HB ARG 20 1HB ARG 20 -17.679 10.422 -7.268 151 2HB ARG 20 2HB ARG 20 -18.500 11.542 -8.359 152 1HG ARG 20 1HG ARG 20 -15.939 12.111 -9.059 153 2HG ARG 20 2HG ARG 20 -15.706 10.502 -8.375 154 1HD ARG 20 1HD ARG 20 -17.648 9.734 -9.922 155 2HD ARG 20 2HD ARG 20 -17.388 11.259 -10.757 156 HE ARG 20 HE ARG 20 -15.298 10.557 -11.528 157 1HH1 ARG 20 2HH2 ARG 20 -16.644 8.113 -9.323 158 2HH1 ARG 20 1HH2 ARG 20 -15.621 6.844 -9.893 159 1HH2 ARG 20 1HH1 ARG 20 -13.801 8.893 -12.151 160 2HH2 ARG 20 2HH1 ARG 20 -13.983 7.301 -11.486 161 H GLU 21 H GLU 21 -17.336 10.950 -4.821 162 HA GLU 21 HA GLU 21 -19.258 12.600 -3.310 163 1HB GLU 21 1HB GLU 21 -19.781 9.635 -3.626 164 2HB GLU 21 2HB GLU 21 -20.651 10.770 -2.597 165 1HG GLU 21 1HG GLU 21 -21.382 12.017 -4.635 166 2HG GLU 21 2HG GLU 21 -20.584 10.796 -5.645 167 H GLY 22 H GLY 22 -17.830 13.194 -1.776 168 1HA GLY 22 1HA GLY 22 -17.087 11.841 0.442 169 2HA GLY 22 2HA GLY 22 -15.847 11.358 -0.743 170 H ASP 23 H ASP 23 -14.153 12.626 0.104 171 HA ASP 23 HA ASP 23 -14.390 15.562 -0.372 172 1HB ASP 23 1HB ASP 23 -13.345 16.097 1.728 173 2HB ASP 23 2HB ASP 23 -14.797 15.145 2.052 174 H LYS 24 H LYS 24 -13.206 13.421 -1.943 175 HA LYS 24 HA LYS 24 -11.365 12.997 -3.162 176 1HB LYS 24 1HB LYS 24 -10.143 15.514 -1.990 177 2HB LYS 24 2HB LYS 24 -9.484 14.521 -3.290 178 1HG LYS 24 1HG LYS 24 -11.489 14.859 -4.652 179 2HG LYS 24 2HG LYS 24 -12.211 15.863 -3.370 180 1HD LYS 24 1HD LYS 24 -10.390 17.509 -3.607 181 2HD LYS 24 2HD LYS 24 -9.563 16.463 -4.771 182 1HE LYS 24 1HE LYS 24 -10.743 18.258 -5.943 183 2HE LYS 24 2HE LYS 24 -11.434 16.684 -6.365 184 1HZ LYS 24 1HZ LYS 24 -12.546 18.556 -4.390 185 2HZ LYS 24 2HZ LYS 24 -13.105 18.339 -5.925 186 3HZ LYS 24 3HZ LYS 24 -13.208 17.112 -4.832 187 H HIS 25 H HIS 25 -10.515 13.703 0.244 188 HA HIS 25 HA HIS 25 -8.338 11.741 0.247 189 1HB HIS 25 1HB HIS 25 -9.706 13.346 2.430 190 2HB HIS 25 2HB HIS 25 -8.349 12.246 2.691 191 HD1 HIS 25 HD1 HIS 25 -6.172 12.884 0.813 192 HD2 HIS 25 HD2 HIS 25 -8.871 15.822 2.184 193 HE1 HIS 25 HE1 HIS 25 -4.994 15.140 0.597 194 H LYS 26 H LYS 26 -11.798 11.495 0.595 195 HA LYS 26 HA LYS 26 -11.495 8.770 1.680 196 1HB LYS 26 1HB LYS 26 -13.575 10.783 2.580 197 2HB LYS 26 2HB LYS 26 -13.333 9.158 3.233 198 1HG LYS 26 1HG LYS 26 -11.156 9.882 4.179 199 2HG LYS 26 2HG LYS 26 -11.396 11.497 3.497 200 1HD LYS 26 1HD LYS 26 -13.532 11.681 4.834 201 2HD LYS 26 2HD LYS 26 -13.148 10.116 5.577 202 1HE LYS 26 1HE LYS 26 -12.498 11.956 7.046 203 2HE LYS 26 2HE LYS 26 -11.061 11.060 6.521 204 1HZ LYS 26 1HZ LYS 26 -12.001 13.560 5.286 205 2HZ LYS 26 2HZ LYS 26 -10.824 13.469 6.442 206 3HZ LYS 26 3HZ LYS 26 -10.594 12.768 4.971 207 H LEU 27 H LEU 27 -12.919 7.262 1.022 208 HA LEU 27 HA LEU 27 -14.707 7.945 -1.281 209 1HB LEU 27 1HB LEU 27 -13.698 5.330 -0.081 210 2HB LEU 27 2HB LEU 27 -14.865 5.401 -1.396 211 HG LEU 27 HG LEU 27 -12.073 6.560 -1.606 212 1HD1 LEU 27 1HD1 LEU 27 -11.989 4.112 -1.168 213 2HD1 LEU 27 2HD1 LEU 27 -13.178 3.853 -2.465 214 3HD1 LEU 27 3HD1 LEU 27 -11.553 4.456 -2.855 215 1HD2 LEU 27 1HD2 LEU 27 -13.825 7.354 -3.279 216 2HD2 LEU 27 2HD2 LEU 27 -12.471 6.470 -4.008 217 3HD2 LEU 27 3HD2 LEU 27 -14.031 5.660 -3.768 218 H LYS 28 H LYS 28 -16.930 8.012 -0.948 219 HA LYS 28 HA LYS 28 -18.185 7.165 1.556 220 1HB LYS 28 1HB LYS 28 -19.205 7.847 -1.229 221 2HB LYS 28 2HB LYS 28 -20.296 7.436 0.093 222 1HG LYS 28 1HG LYS 28 -18.279 9.657 0.434 223 2HG LYS 28 2HG LYS 28 -19.779 9.908 -0.480 224 1HD LYS 28 1HD LYS 28 -21.132 9.226 1.471 225 2HD LYS 28 2HD LYS 28 -19.659 8.945 2.415 226 1HE LYS 28 1HE LYS 28 -19.041 11.379 2.021 227 2HE LYS 28 2HE LYS 28 -20.617 11.602 1.248 228 1HZ LYS 28 1HZ LYS 28 -20.653 12.245 3.528 229 2HZ LYS 28 2HZ LYS 28 -21.634 10.936 3.321 230 3HZ LYS 28 3HZ LYS 28 -20.150 10.760 4.023 231 H LYS 29 H LYS 29 -19.962 5.417 1.472 232 HA LYS 29 HA LYS 29 -18.957 2.933 0.466 233 1HB LYS 29 1HB LYS 29 -20.984 1.933 1.116 234 2HB LYS 29 2HB LYS 29 -20.478 3.010 2.393 235 1HG LYS 29 1HG LYS 29 -22.703 3.492 0.344 236 2HG LYS 29 2HG LYS 29 -22.912 2.983 2.008 237 1HD LYS 29 1HD LYS 29 -21.930 5.710 1.064 238 2HD LYS 29 2HD LYS 29 -23.480 5.317 1.767 239 1HE LYS 29 1HE LYS 29 -20.828 5.111 3.287 240 2HE LYS 29 2HE LYS 29 -22.019 6.413 3.409 241 1HZ LYS 29 1HZ LYS 29 -22.318 4.889 5.147 242 2HZ LYS 29 2HZ LYS 29 -23.612 4.747 4.136 243 3HZ LYS 29 3HZ LYS 29 -22.420 3.602 4.135 244 H SER 30 H SER 30 -21.065 5.350 -1.076 245 HA SER 30 HA SER 30 -21.922 3.693 -3.244 246 1HB SER 30 1HB SER 30 -22.029 6.050 -4.339 247 2HB SER 30 2HB SER 30 -23.029 5.769 -2.902 248 HG SER 30 HG SER 30 -21.674 7.737 -2.931 249 H GLU 31 H GLU 31 -19.174 5.999 -2.836 250 HA GLU 31 HA GLU 31 -18.058 5.435 -5.401 251 1HB GLU 31 1HB GLU 31 -16.703 6.546 -2.907 252 2HB GLU 31 2HB GLU 31 -16.015 6.536 -4.541 253 1HG GLU 31 1HG GLU 31 -18.581 7.908 -3.730 254 2HG GLU 31 2HG GLU 31 -17.037 8.718 -4.022 255 H LEU 32 H LEU 32 -17.238 4.152 -2.167 256 HA LEU 32 HA LEU 32 -15.150 2.480 -2.989 257 1HB LEU 32 1HB LEU 32 -15.663 3.119 -0.685 258 2HB LEU 32 2HB LEU 32 -17.095 2.077 -0.685 259 HG LEU 32 HG LEU 32 -14.939 1.290 0.484 260 1HD1 LEU 32 1HD1 LEU 32 -16.236 -0.604 -1.507 261 2HD1 LEU 32 2HD1 LEU 32 -15.314 -1.048 -0.060 262 3HD1 LEU 32 3HD1 LEU 32 -16.842 -0.171 0.107 263 1HD2 LEU 32 1HD2 LEU 32 -13.313 1.848 -1.232 264 2HD2 LEU 32 2HD2 LEU 32 -13.260 0.135 -0.800 265 3HD2 LEU 32 3HD2 LEU 32 -14.009 0.631 -2.323 266 H LYS 33 H LYS 33 -18.719 1.820 -2.839 267 HA LYS 33 HA LYS 33 -18.588 -0.839 -3.775 268 1HB LYS 33 1HB LYS 33 -20.617 -0.026 -2.892 269 2HB LYS 33 2HB LYS 33 -20.704 1.321 -4.009 270 1HG LYS 33 1HG LYS 33 -21.132 -0.221 -5.885 271 2HG LYS 33 2HG LYS 33 -20.831 -1.620 -4.825 272 1HD LYS 33 1HD LYS 33 -22.773 -0.918 -3.418 273 2HD LYS 33 2HD LYS 33 -23.110 0.398 -4.550 274 1HE LYS 33 1HE LYS 33 -23.139 -2.598 -5.193 275 2HE LYS 33 2HE LYS 33 -24.559 -1.576 -4.954 276 1HZ LYS 33 1HZ LYS 33 -24.085 -1.898 -7.247 277 2HZ LYS 33 2HZ LYS 33 -23.900 -0.306 -6.864 278 3HZ LYS 33 3HZ LYS 33 -22.576 -1.261 -7.096 279 H GLU 34 H GLU 34 -19.021 2.174 -5.823 280 HA GLU 34 HA GLU 34 -18.929 0.536 -8.204 281 1HB GLU 34 1HB GLU 34 -18.597 2.616 -9.476 282 2HB GLU 34 2HB GLU 34 -20.065 2.532 -8.501 283 1HG GLU 34 1HG GLU 34 -19.278 4.114 -6.940 284 2HG GLU 34 2HG GLU 34 -17.603 3.994 -7.490 285 H LEU 35 H LEU 35 -16.431 2.268 -6.435 286 HA LEU 35 HA LEU 35 -14.194 1.974 -8.112 287 1HB LEU 35 1HB LEU 35 -14.297 3.332 -6.099 288 2HB LEU 35 2HB LEU 35 -14.559 1.913 -5.102 289 HG LEU 35 HG LEU 35 -12.409 2.877 -4.789 290 1HD1 LEU 35 1HD1 LEU 35 -11.066 0.942 -4.789 291 2HD1 LEU 35 2HD1 LEU 35 -12.723 0.384 -4.573 292 3HD1 LEU 35 3HD1 LEU 35 -11.913 0.211 -6.150 293 1HD2 LEU 35 1HD2 LEU 35 -12.146 3.811 -7.101 294 2HD2 LEU 35 2HD2 LEU 35 -10.699 3.060 -6.415 295 3HD2 LEU 35 3HD2 LEU 35 -11.662 2.185 -7.636 296 H ILE 36 H ILE 36 -15.389 -0.289 -5.529 297 HA ILE 36 HA ILE 36 -13.468 -2.307 -6.070 298 HB ILE 36 HB ILE 36 -16.264 -2.476 -4.907 299 1HG1 ILE 36 1HG1 ILE 36 -14.476 -1.147 -3.659 300 2HG1 ILE 36 2HG1 ILE 36 -15.317 -2.422 -2.776 301 1HG2 ILE 36 1HG2 ILE 36 -14.135 -4.629 -5.099 302 2HG2 ILE 36 2HG2 ILE 36 -15.469 -4.666 -3.931 303 3HG2 ILE 36 3HG2 ILE 36 -15.813 -4.697 -5.667 304 1HD1 ILE 36 1HD1 ILE 36 -12.942 -2.241 -2.250 305 2HD1 ILE 36 2HD1 ILE 36 -13.316 -3.832 -2.934 306 3HD1 ILE 36 3HD1 ILE 36 -12.510 -2.593 -3.936 307 H ASN 37 H ASN 37 -16.869 -2.049 -7.245 308 HA ASN 37 HA ASN 37 -16.904 -4.345 -8.878 309 1HB ASN 37 1HB ASN 37 -18.220 -1.621 -9.335 310 2HB ASN 37 2HB ASN 37 -18.505 -3.040 -10.356 311 1HD2 ASN 37 2HD2 ASN 37 -19.250 -1.559 -7.274 312 2HD2 ASN 37 1HD2 ASN 37 -20.560 -2.693 -6.929 313 H ASN 38 H ASN 38 -16.055 -1.018 -9.859 314 HA ASN 38 HA ASN 38 -15.599 -1.650 -12.590 315 1HB ASN 38 1HB ASN 38 -14.741 0.720 -10.867 316 2HB ASN 38 2HB ASN 38 -14.641 0.653 -12.638 317 1HD2 ASN 38 2HD2 ASN 38 -15.958 2.744 -11.537 318 2HD2 ASN 38 1HD2 ASN 38 -17.685 2.563 -11.848 319 H GLU 39 H GLU 39 -13.392 -1.163 -9.800 320 HA GLU 39 HA GLU 39 -11.094 -1.485 -11.634 321 1HB GLU 39 1HB GLU 39 -11.061 -0.449 -8.822 322 2HB GLU 39 2HB GLU 39 -9.847 -0.305 -10.103 323 1HG GLU 39 1HG GLU 39 -12.568 1.071 -10.004 324 2HG GLU 39 2HG GLU 39 -10.996 1.819 -9.780 325 H LEU 40 H LEU 40 -12.599 -3.358 -9.067 326 HA LEU 40 HA LEU 40 -10.051 -4.890 -8.738 327 1HB LEU 40 1HB LEU 40 -11.126 -3.604 -6.799 328 2HB LEU 40 2HB LEU 40 -12.419 -4.800 -6.846 329 HG LEU 40 HG LEU 40 -10.919 -6.560 -6.182 330 1HD1 LEU 40 1HD1 LEU 40 -8.718 -4.436 -6.273 331 2HD1 LEU 40 2HD1 LEU 40 -8.573 -6.022 -5.495 332 3HD1 LEU 40 3HD1 LEU 40 -8.769 -5.927 -7.249 333 1HD2 LEU 40 1HD2 LEU 40 -10.296 -5.655 -3.958 334 2HD2 LEU 40 2HD2 LEU 40 -10.557 -4.010 -4.576 335 3HD2 LEU 40 3HD2 LEU 40 -11.919 -5.143 -4.458 336 H SER 41 H SER 41 -12.455 -5.106 -10.763 337 HA SER 41 HA SER 41 -14.216 -6.997 -10.369 338 1HB SER 41 1HB SER 41 -12.771 -6.913 -13.017 339 2HB SER 41 2HB SER 41 -14.513 -6.938 -12.685 340 HG SER 41 HG SER 41 -14.319 -4.781 -11.948 341 H HIS 42 H HIS 42 -10.871 -7.800 -11.424 342 HA HIS 42 HA HIS 42 -11.485 -10.579 -11.903 343 1HB HIS 42 1HB HIS 42 -9.608 -9.255 -12.924 344 2HB HIS 42 2HB HIS 42 -8.769 -9.338 -11.371 345 HD1 HIS 42 HD1 HIS 42 -9.611 -12.579 -11.023 346 HD2 HIS 42 HD2 HIS 42 -7.540 -10.544 -14.071 347 HE1 HIS 42 HE1 HIS 42 -8.121 -14.307 -12.184 348 H PHE 43 H PHE 43 -10.721 -8.737 -9.013 349 HA PHE 43 HA PHE 43 -9.874 -11.159 -7.513 350 1HB PHE 43 1HB PHE 43 -9.663 -8.200 -6.980 351 2HB PHE 43 2HB PHE 43 -9.487 -9.395 -5.707 352 HD1 PHE 43 HD1 PHE 43 -8.157 -9.118 -9.248 353 HD2 PHE 43 HD2 PHE 43 -7.258 -9.593 -5.064 354 HE1 PHE 43 HE1 PHE 43 -5.747 -9.225 -9.781 355 HE2 PHE 43 HE2 PHE 43 -4.846 -9.404 -5.576 356 HZ PHE 43 HZ PHE 43 -4.082 -9.333 -7.954 357 H LEU 44 H LEU 44 -12.312 -8.495 -7.452 358 HA LEU 44 HA LEU 44 -13.987 -10.156 -5.604 359 1HB LEU 44 1HB LEU 44 -13.467 -7.178 -5.667 360 2HB LEU 44 2HB LEU 44 -15.093 -7.757 -5.307 361 HG LEU 44 HG LEU 44 -14.153 -9.273 -3.548 362 1HD1 LEU 44 1HD1 LEU 44 -11.769 -9.252 -4.208 363 2HD1 LEU 44 2HD1 LEU 44 -11.690 -7.507 -3.953 364 3HD1 LEU 44 3HD1 LEU 44 -11.940 -8.600 -2.574 365 1HD2 LEU 44 1HD2 LEU 44 -13.769 -6.279 -3.149 366 2HD2 LEU 44 2HD2 LEU 44 -15.312 -7.154 -3.026 367 3HD2 LEU 44 3HD2 LEU 44 -14.014 -7.482 -1.867 368 H GLU 45 H GLU 45 -15.909 -10.701 -6.287 369 HA GLU 45 HA GLU 45 -16.723 -10.056 -9.022 370 1HB GLU 45 1HB GLU 45 -17.537 -12.019 -6.958 371 2HB GLU 45 2HB GLU 45 -18.915 -11.336 -7.800 372 1HG GLU 45 1HG GLU 45 -16.493 -12.576 -9.171 373 2HG GLU 45 2HG GLU 45 -18.042 -13.390 -8.883 374 H GLU 46 H GLU 46 -19.019 -9.452 -9.420 375 HA GLU 46 HA GLU 46 -19.349 -6.784 -8.903 376 1HB GLU 46 1HB GLU 46 -20.349 -8.070 -10.770 377 2HB GLU 46 2HB GLU 46 -21.502 -8.810 -9.642 378 1HG GLU 46 1HG GLU 46 -22.463 -6.571 -9.159 379 2HG GLU 46 2HG GLU 46 -21.263 -5.821 -10.228 380 H ILE 47 H ILE 47 -20.128 -5.614 -7.276 381 HA ILE 47 HA ILE 47 -20.990 -6.861 -4.785 382 HB ILE 47 HB ILE 47 -20.969 -3.951 -5.596 383 1HG1 ILE 47 1HG1 ILE 47 -18.701 -4.750 -5.786 384 2HG1 ILE 47 2HG1 ILE 47 -18.862 -3.739 -4.342 385 1HG2 ILE 47 1HG2 ILE 47 -22.450 -4.368 -3.683 386 2HG2 ILE 47 2HG2 ILE 47 -21.135 -5.174 -2.827 387 3HG2 ILE 47 3HG2 ILE 47 -21.036 -3.440 -3.240 388 1HD1 ILE 47 1HD1 ILE 47 -19.007 -5.857 -2.953 389 2HD1 ILE 47 2HD1 ILE 47 -18.722 -6.779 -4.452 390 3HD1 ILE 47 3HD1 ILE 47 -17.490 -5.679 -3.836 391 H LYS 48 H LYS 48 -22.997 -7.664 -4.633 392 HA LYS 48 HA LYS 48 -25.319 -6.252 -5.842 393 1HB LYS 48 1HB LYS 48 -25.271 -8.724 -5.851 394 2HB LYS 48 2HB LYS 48 -25.164 -8.740 -4.085 395 1HG LYS 48 1HG LYS 48 -27.392 -7.502 -4.005 396 2HG LYS 48 2HG LYS 48 -27.424 -7.563 -5.768 397 1HD LYS 48 1HD LYS 48 -28.841 -9.282 -4.958 398 2HD LYS 48 2HD LYS 48 -27.406 -10.080 -5.631 399 1HE LYS 48 1HE LYS 48 -26.518 -10.396 -3.322 400 2HE LYS 48 2HE LYS 48 -27.912 -9.509 -2.665 401 1HZ LYS 48 1HZ LYS 48 -28.051 -12.032 -4.140 402 2HZ LYS 48 2HZ LYS 48 -28.181 -11.853 -2.506 403 3HZ LYS 48 3HZ LYS 48 -29.329 -11.210 -3.498 404 H GLU 49 H GLU 49 -24.166 -7.336 -2.613 405 HA GLU 49 HA GLU 49 -26.151 -5.630 -1.314 406 1HB GLU 49 1HB GLU 49 -24.181 -7.645 -0.177 407 2HB GLU 49 2HB GLU 49 -25.471 -6.811 0.711 408 1HG GLU 49 1HG GLU 49 -27.170 -7.813 -0.817 409 2HG GLU 49 2HG GLU 49 -25.876 -8.665 -1.680 410 H GLN 50 H GLN 50 -25.209 -3.583 -1.918 411 HA GLN 50 HA GLN 50 -22.824 -2.387 -1.347 412 1HB GLN 50 1HB GLN 50 -24.833 -1.195 -2.169 413 2HB GLN 50 2HB GLN 50 -25.599 -1.374 -0.589 414 1HG GLN 50 1HG GLN 50 -23.740 0.035 0.420 415 2HG GLN 50 2HG GLN 50 -23.077 0.239 -1.207 416 1HE2 GLN 50 1HE2 GLN 50 -26.233 0.542 0.577 417 2HE2 GLN 50 2HE2 GLN 50 -26.675 2.052 -0.213 418 H GLU 51 H GLU 51 -25.283 -3.211 1.112 419 HA GLU 51 HA GLU 51 -24.067 -1.951 3.299 420 1HB GLU 51 1HB GLU 51 -25.624 -4.562 3.429 421 2HB GLU 51 2HB GLU 51 -25.461 -3.325 4.682 422 1HG GLU 51 1HG GLU 51 -27.056 -3.154 2.086 423 2HG GLU 51 2HG GLU 51 -27.630 -2.993 3.740 424 H VAL 52 H VAL 52 -23.217 -5.032 1.761 425 HA VAL 52 HA VAL 52 -21.518 -5.912 3.932 426 HB VAL 52 HB VAL 52 -21.514 -6.672 0.990 427 1HG1 VAL 52 1HG1 VAL 52 -19.339 -7.149 2.036 428 2HG1 VAL 52 2HG1 VAL 52 -20.152 -7.865 3.447 429 3HG1 VAL 52 3HG1 VAL 52 -20.232 -8.658 1.864 430 1HG2 VAL 52 1HG2 VAL 52 -22.671 -8.074 3.455 431 2HG2 VAL 52 2HG2 VAL 52 -23.638 -7.245 2.224 432 3HG2 VAL 52 3HG2 VAL 52 -22.707 -8.680 1.789 433 H VAL 53 H VAL 53 -20.999 -3.846 0.936 434 HA VAL 53 HA VAL 53 -18.202 -3.708 1.462 435 HB VAL 53 HB VAL 53 -17.944 -2.289 -0.178 436 1HG1 VAL 53 1HG1 VAL 53 -18.874 -4.421 -0.931 437 2HG1 VAL 53 2HG1 VAL 53 -20.474 -3.655 -1.057 438 3HG1 VAL 53 3HG1 VAL 53 -19.123 -3.090 -2.074 439 1HG2 VAL 53 1HG2 VAL 53 -19.470 -0.386 0.521 440 2HG2 VAL 53 2HG2 VAL 53 -19.282 -0.690 -1.195 441 3HG2 VAL 53 3HG2 VAL 53 -20.755 -1.215 -0.388 442 H ASP 54 H ASP 54 -21.056 -1.839 2.440 443 HA ASP 54 HA ASP 54 -19.733 0.220 3.853 444 1HB ASP 54 1HB ASP 54 -22.200 0.102 3.478 445 2HB ASP 54 2HB ASP 54 -22.303 -1.122 4.757 446 H LYS 55 H LYS 55 -20.589 -3.141 4.926 447 HA LYS 55 HA LYS 55 -19.331 -2.911 7.456 448 1HB LYS 55 1HB LYS 55 -20.842 -4.795 6.647 449 2HB LYS 55 2HB LYS 55 -19.425 -5.464 5.840 450 1HG LYS 55 1HG LYS 55 -18.395 -5.023 8.376 451 2HG LYS 55 2HG LYS 55 -20.099 -5.254 8.743 452 1HD LYS 55 1HD LYS 55 -19.149 -7.424 8.897 453 2HD LYS 55 2HD LYS 55 -19.979 -7.405 7.339 454 1HE LYS 55 1HE LYS 55 -17.830 -8.453 7.024 455 2HE LYS 55 2HE LYS 55 -17.722 -6.872 6.244 456 1HZ LYS 55 1HZ LYS 55 -16.725 -7.512 8.934 457 2HZ LYS 55 2HZ LYS 55 -15.808 -7.410 7.572 458 3HZ LYS 55 3HZ LYS 55 -16.540 -6.068 8.166 459 H VAL 56 H VAL 56 -17.902 -4.097 4.302 460 HA VAL 56 HA VAL 56 -15.431 -4.721 5.546 461 HB VAL 56 HB VAL 56 -14.467 -5.224 3.584 462 1HG1 VAL 56 1HG1 VAL 56 -15.894 -6.599 2.364 463 2HG1 VAL 56 2HG1 VAL 56 -16.635 -6.519 3.972 464 3HG1 VAL 56 3HG1 VAL 56 -17.300 -5.582 2.614 465 1HG2 VAL 56 1HG2 VAL 56 -16.159 -3.202 2.115 466 2HG2 VAL 56 2HG2 VAL 56 -14.406 -3.219 2.342 467 3HG2 VAL 56 3HG2 VAL 56 -15.170 -4.434 1.315 468 H MET 57 H MET 57 -16.569 -1.642 4.180 469 HA MET 57 HA MET 57 -13.945 -0.419 4.543 470 1HB MET 57 1HB MET 57 -14.768 1.459 3.610 471 2HB MET 57 2HB MET 57 -15.714 0.207 2.822 472 1HG MET 57 1HG MET 57 -17.543 0.667 4.508 473 2HG MET 57 2HG MET 57 -16.629 2.085 5.039 474 1HE MET 57 1HE MET 57 -16.054 4.113 3.331 475 2HE MET 57 2HE MET 57 -15.464 2.985 2.084 476 3HE MET 57 3HE MET 57 -16.702 4.175 1.677 477 H GLU 58 H GLU 58 -17.057 -0.427 6.376 478 HA GLU 58 HA GLU 58 -16.393 1.289 8.475 479 1HB GLU 58 1HB GLU 58 -18.611 0.403 8.176 480 2HB GLU 58 2HB GLU 58 -18.055 -1.251 8.507 481 1HG GLU 58 1HG GLU 58 -17.533 -0.671 10.819 482 2HG GLU 58 2HG GLU 58 -17.840 1.038 10.487 483 H THR 59 H THR 59 -15.684 -2.120 8.037 484 HA THR 59 HA THR 59 -14.423 -2.847 10.419 485 HB THR 59 HB THR 59 -13.990 -3.572 7.507 486 HG1 THR 59 HG1 THR 59 -15.933 -4.114 8.384 487 1HG2 THR 59 1HG2 THR 59 -12.664 -5.007 9.799 488 2HG2 THR 59 2HG2 THR 59 -12.883 -5.641 8.144 489 3HG2 THR 59 3HG2 THR 59 -11.894 -4.214 8.390 490 H LEU 60 H LEU 60 -13.138 -0.836 7.764 491 HA LEU 60 HA LEU 60 -10.492 -0.595 9.139 492 1HB LEU 60 1HB LEU 60 -11.274 0.069 6.291 493 2HB LEU 60 2HB LEU 60 -9.636 0.059 6.978 494 HG LEU 60 HG LEU 60 -11.417 -2.390 6.557 495 1HD1 LEU 60 1HD1 LEU 60 -9.775 -2.986 4.865 496 2HD1 LEU 60 2HD1 LEU 60 -10.495 -1.405 4.506 497 3HD1 LEU 60 3HD1 LEU 60 -8.852 -1.498 5.184 498 1HD2 LEU 60 1HD2 LEU 60 -10.012 -2.688 8.561 499 2HD2 LEU 60 2HD2 LEU 60 -9.384 -3.665 7.228 500 3HD2 LEU 60 3HD2 LEU 60 -8.581 -2.140 7.663 501 H ASP 61 H ASP 61 -13.351 0.949 9.257 502 HA ASP 61 HA ASP 61 -12.592 3.563 8.282 503 1HB ASP 61 1HB ASP 61 -14.862 2.820 8.156 504 2HB ASP 61 2HB ASP 61 -14.974 2.687 9.926 505 H SER 62 H SER 62 -10.559 3.542 9.547 506 HA SER 62 HA SER 62 -10.208 4.186 12.242 507 1HB SER 62 1HB SER 62 -8.247 5.492 11.374 508 2HB SER 62 2HB SER 62 -8.384 3.885 10.624 509 HG SER 62 HG SER 62 -8.061 5.408 9.007 510 H ASP 63 H ASP 63 -11.309 6.189 9.556 511 HA ASP 63 HA ASP 63 -11.267 8.696 10.899 512 1HB ASP 63 1HB ASP 63 -13.051 7.875 8.560 513 2HB ASP 63 2HB ASP 63 -12.541 9.507 8.992 514 H GLY 64 H GLY 64 -13.489 6.042 11.242 515 1HA GLY 64 1HA GLY 64 -15.589 5.807 12.079 516 2HA GLY 64 2HA GLY 64 -15.166 7.151 13.151 517 H ASP 65 H ASP 65 -15.434 7.349 9.588 518 HA ASP 65 HA ASP 65 -17.594 9.392 9.930 519 1HB ASP 65 1HB ASP 65 -15.253 10.219 9.428 520 2HB ASP 65 2HB ASP 65 -15.326 9.332 7.897 521 H GLY 66 H GLY 66 -17.275 6.293 9.017 522 1HA GLY 66 1HA GLY 66 -18.434 4.942 7.609 523 2HA GLY 66 2HA GLY 66 -19.329 6.321 6.948 524 H GLU 67 H GLU 67 -17.785 7.897 5.753 525 HA GLU 67 HA GLU 67 -16.639 6.526 3.546 526 1HB GLU 67 1HB GLU 67 -15.794 8.753 2.800 527 2HB GLU 67 2HB GLU 67 -17.521 8.702 3.150 528 1HG GLU 67 1HG GLU 67 -17.104 9.772 5.361 529 2HG GLU 67 2HG GLU 67 -15.391 9.900 4.950 530 H CYS 68 H CYS 68 -14.541 6.001 3.057 531 HA CYS 68 HA CYS 68 -12.738 5.798 5.461 532 1HB CYS 68 1HB CYS 68 -13.369 3.913 3.148 533 2HB CYS 68 2HB CYS 68 -11.869 3.769 4.105 534 HG CYS 68 HG CYS 68 -14.901 4.038 5.358 535 H ASP 69 H ASP 69 -10.625 6.491 5.363 536 HA ASP 69 HA ASP 69 -10.113 8.190 3.107 537 1HB ASP 69 1HB ASP 69 -8.665 9.388 4.317 538 2HB ASP 69 2HB ASP 69 -9.692 8.752 5.608 539 H PHE 70 H PHE 70 -7.983 8.450 2.177 540 HA PHE 70 HA PHE 70 -7.231 6.391 0.558 541 1HB PHE 70 1HB PHE 70 -6.532 8.723 0.325 542 2HB PHE 70 2HB PHE 70 -5.396 8.563 1.635 543 HD1 PHE 70 HD1 PHE 70 -5.893 8.307 -1.895 544 HD2 PHE 70 HD2 PHE 70 -3.430 6.737 1.258 545 HE1 PHE 70 HE1 PHE 70 -4.849 6.740 -3.505 546 HE2 PHE 70 HE2 PHE 70 -2.279 5.290 -0.372 547 HZ PHE 70 HZ PHE 70 -3.105 5.167 -2.740 548 H GLN 71 H GLN 71 -5.771 7.018 3.790 549 HA GLN 71 HA GLN 71 -3.823 5.003 3.737 550 1HB GLN 71 1HB GLN 71 -3.942 6.719 5.473 551 2HB GLN 71 2HB GLN 71 -5.492 6.080 6.043 552 1HG GLN 71 1HG GLN 71 -3.726 5.434 7.535 553 2HG GLN 71 2HG GLN 71 -4.438 4.008 6.799 554 1HE2 GLN 71 1HE2 GLN 71 -3.177 2.935 5.003 555 2HE2 GLN 71 2HE2 GLN 71 -1.418 3.125 5.032 556 H GLU 72 H GLU 72 -7.330 4.734 4.481 557 HA GLU 72 HA GLU 72 -7.024 2.000 5.512 558 1HB GLU 72 1HB GLU 72 -9.566 3.547 4.830 559 2HB GLU 72 2HB GLU 72 -9.430 2.090 5.825 560 1HG GLU 72 1HG GLU 72 -8.400 4.877 6.467 561 2HG GLU 72 2HG GLU 72 -9.656 3.994 7.300 562 H PHE 73 H PHE 73 -8.202 3.622 2.614 563 HA PHE 73 HA PHE 73 -8.943 1.346 1.056 564 1HB PHE 73 1HB PHE 73 -9.458 3.412 0.163 565 2HB PHE 73 2HB PHE 73 -7.902 4.124 0.529 566 HD1 PHE 73 HD1 PHE 73 -6.124 4.163 -1.090 567 HD2 PHE 73 HD2 PHE 73 -9.641 1.745 -1.759 568 HE1 PHE 73 HE1 PHE 73 -5.529 3.946 -3.482 569 HE2 PHE 73 HE2 PHE 73 -9.040 1.554 -4.146 570 HZ PHE 73 HZ PHE 73 -7.038 2.706 -5.038 571 H MET 74 H MET 74 -5.763 2.971 1.412 572 HA MET 74 HA MET 74 -4.246 1.126 -0.052 573 1HB MET 74 1HB MET 74 -3.401 3.279 0.431 574 2HB MET 74 2HB MET 74 -3.558 3.053 2.172 575 1HG MET 74 1HG MET 74 -1.271 2.922 1.441 576 2HG MET 74 2HG MET 74 -1.796 1.441 2.238 577 1HE MET 74 1HE MET 74 -0.831 1.756 -2.270 578 2HE MET 74 2HE MET 74 -2.297 2.517 -1.601 579 3HE MET 74 3HE MET 74 -0.680 3.099 -1.120 580 H ALA 75 H ALA 75 -5.030 1.133 3.432 581 HA ALA 75 HA ALA 75 -3.520 -1.172 4.129 582 1HB ALA 75 1HB ALA 75 -4.981 -1.392 6.054 583 2HB ALA 75 2HB ALA 75 -4.607 0.321 5.783 584 3HB ALA 75 3HB ALA 75 -6.194 -0.332 5.322 585 H PHE 76 H PHE 76 -6.836 -0.897 2.829 586 HA PHE 76 HA PHE 76 -7.455 -3.702 2.856 587 1HB PHE 76 1HB PHE 76 -9.203 -2.063 2.683 588 2HB PHE 76 2HB PHE 76 -8.521 -1.381 1.234 589 HD1 PHE 76 HD1 PHE 76 -10.578 -4.187 2.569 590 HD2 PHE 76 HD2 PHE 76 -8.738 -2.380 -0.918 591 HE1 PHE 76 HE1 PHE 76 -11.848 -5.703 1.073 592 HE2 PHE 76 HE2 PHE 76 -10.065 -3.836 -2.377 593 HZ PHE 76 HZ PHE 76 -11.536 -5.577 -1.421 594 H VAL 77 H VAL 77 -6.214 -1.574 0.267 595 HA VAL 77 HA VAL 77 -5.711 -3.503 -1.729 596 HB VAL 77 HB VAL 77 -4.318 -0.928 -0.959 597 1HG1 VAL 77 1HG1 VAL 77 -3.821 -2.652 -3.428 598 2HG1 VAL 77 2HG1 VAL 77 -3.286 -0.970 -3.242 599 3HG1 VAL 77 3HG1 VAL 77 -2.628 -2.217 -2.183 600 1HG2 VAL 77 1HG2 VAL 77 -6.681 -0.807 -1.838 601 2HG2 VAL 77 2HG2 VAL 77 -5.501 -0.021 -2.897 602 3HG2 VAL 77 3HG2 VAL 77 -6.135 -1.628 -3.308 603 H ALA 78 H ALA 78 -3.638 -2.540 1.045 604 HA ALA 78 HA ALA 78 -1.392 -4.006 0.329 605 1HB ALA 78 1HB ALA 78 -2.372 -3.485 3.165 606 2HB ALA 78 2HB ALA 78 -0.716 -3.864 2.663 607 3HB ALA 78 3HB ALA 78 -1.464 -2.336 2.158 608 H MET 79 H MET 79 -4.081 -5.083 2.498 609 HA MET 79 HA MET 79 -2.907 -7.702 2.785 610 1HB MET 79 1HB MET 79 -5.107 -8.424 3.680 611 2HB MET 79 2HB MET 79 -4.285 -7.109 4.530 612 1HG MET 79 1HG MET 79 -5.813 -5.484 3.535 613 2HG MET 79 2HG MET 79 -6.682 -6.781 2.673 614 1HE MET 79 1HE MET 79 -8.977 -5.423 5.647 615 2HE MET 79 2HE MET 79 -7.638 -4.464 4.965 616 3HE MET 79 3HE MET 79 -8.716 -5.407 3.885 617 H ILE 80 H ILE 80 -5.427 -6.447 0.572 618 HA ILE 80 HA ILE 80 -6.136 -8.927 -0.616 619 HB ILE 80 HB ILE 80 -5.993 -6.096 -1.701 620 1HG1 ILE 80 1HG1 ILE 80 -7.595 -6.807 0.260 621 2HG1 ILE 80 2HG1 ILE 80 -8.159 -5.790 -1.063 622 1HG2 ILE 80 1HG2 ILE 80 -7.223 -8.537 -3.010 623 2HG2 ILE 80 2HG2 ILE 80 -7.568 -6.856 -3.485 624 3HG2 ILE 80 3HG2 ILE 80 -5.937 -7.500 -3.658 625 1HD1 ILE 80 1HD1 ILE 80 -9.760 -7.578 -0.390 626 2HD1 ILE 80 2HD1 ILE 80 -9.334 -7.632 -2.103 627 3HD1 ILE 80 3HD1 ILE 80 -8.607 -8.798 -0.962 628 H THR 81 H THR 81 -3.639 -6.553 -1.605 629 HA THR 81 HA THR 81 -2.642 -8.077 -3.789 630 HB THR 81 HB THR 81 -1.171 -6.017 -2.105 631 HG1 THR 81 HG1 THR 81 -3.052 -5.119 -2.814 632 1HG2 THR 81 1HG2 THR 81 -0.857 -6.755 -5.054 633 2HG2 THR 81 2HG2 THR 81 0.085 -5.561 -4.154 634 3HG2 THR 81 3HG2 THR 81 0.235 -7.295 -3.782 635 H THR 82 H THR 82 -1.546 -7.836 -0.340 636 HA THR 82 HA THR 82 0.712 -9.523 -0.652 637 HB THR 82 HB THR 82 -1.016 -9.042 1.813 638 HG1 THR 82 HG1 THR 82 -0.159 -7.152 1.094 639 1HG2 THR 82 1HG2 THR 82 1.057 -9.619 3.060 640 2HG2 THR 82 2HG2 THR 82 0.411 -11.007 2.175 641 3HG2 THR 82 3HG2 THR 82 1.824 -10.134 1.545 642 H ALA 83 H ALA 83 -2.677 -10.378 0.280 643 HA ALA 83 HA ALA 83 -2.206 -13.150 0.624 644 1HB ALA 83 1HB ALA 83 -4.634 -13.363 0.177 645 2HB ALA 83 2HB ALA 83 -4.291 -12.009 1.269 646 3HB ALA 83 3HB ALA 83 -4.677 -11.698 -0.436 647 H CYS 84 H CYS 84 -3.149 -11.298 -2.344 648 HA CYS 84 HA CYS 84 -3.153 -13.556 -4.066 649 1HB CYS 84 1HB CYS 84 -4.112 -11.442 -4.744 650 2HB CYS 84 2HB CYS 84 -2.513 -10.663 -4.741 651 HG CYS 84 HG CYS 84 -3.372 -11.240 -7.201 652 H HIS 85 H HIS 85 -0.450 -11.341 -3.218 653 HA HIS 85 HA HIS 85 1.497 -12.455 -4.917 654 1HB HIS 85 1HB HIS 85 1.622 -10.327 -3.533 655 2HB HIS 85 2HB HIS 85 2.029 -11.323 -2.138 656 HD1 HIS 85 HD1 HIS 85 4.330 -13.086 -2.897 657 HD2 HIS 85 HD2 HIS 85 3.643 -9.389 -4.761 658 HE1 HIS 85 HE1 HIS 85 6.519 -12.416 -4.018 659 H GLU 86 H GLU 86 0.776 -13.230 -1.497 660 HA GLU 86 HA GLU 86 2.646 -15.298 -1.098 661 1HB GLU 86 1HB GLU 86 -0.149 -14.884 0.043 662 2HB GLU 86 2HB GLU 86 0.953 -16.150 0.596 663 1HG GLU 86 1HG GLU 86 2.625 -14.512 1.270 664 2HG GLU 86 2HG GLU 86 1.647 -13.178 0.654 665 H PHE 87 H PHE 87 -0.720 -15.513 -2.413 666 HA PHE 87 HA PHE 87 -0.436 -18.422 -2.650 667 1HB PHE 87 1HB PHE 87 -2.567 -16.590 -3.766 668 2HB PHE 87 2HB PHE 87 -2.653 -18.342 -3.654 669 HD1 PHE 87 HD1 PHE 87 -1.626 -18.948 -0.911 670 HD2 PHE 87 HD2 PHE 87 -4.266 -15.813 -2.270 671 HE1 PHE 87 HE1 PHE 87 -2.448 -18.642 1.385 672 HE2 PHE 87 HE2 PHE 87 -5.202 -15.633 0.018 673 HZ PHE 87 HZ PHE 87 -4.227 -16.972 1.872 674 H PHE 88 H PHE 88 -0.072 -15.705 -4.822 675 HA PHE 88 HA PHE 88 0.091 -17.112 -7.288 676 1HB PHE 88 1HB PHE 88 -0.102 -14.709 -7.185 677 2HB PHE 88 2HB PHE 88 1.371 -14.575 -6.213 678 HD1 PHE 88 HD1 PHE 88 3.302 -13.862 -7.286 679 HD2 PHE 88 HD2 PHE 88 0.305 -16.007 -9.506 680 HE1 PHE 88 HE1 PHE 88 4.616 -13.525 -9.367 681 HE2 PHE 88 HE2 PHE 88 1.626 -15.678 -11.602 682 HZ PHE 88 HZ PHE 88 3.777 -14.428 -11.527 683 H GLU 89 H GLU 89 2.480 -16.496 -4.690 684 HA GLU 89 HA GLU 89 4.597 -18.029 -5.994 685 1HB GLU 89 1HB GLU 89 4.168 -17.218 -3.088 686 2HB GLU 89 2HB GLU 89 5.633 -17.965 -3.727 687 1HG GLU 89 1HG GLU 89 6.135 -16.044 -5.075 688 2HG GLU 89 2HG GLU 89 4.530 -15.343 -4.834 689 H HIS 90 H HIS 90 2.687 -18.707 -3.027 690 HA HIS 90 HA HIS 90 2.906 -21.649 -3.535 691 1HB HIS 90 1HB HIS 90 4.554 -20.897 -1.893 692 2HB HIS 90 2HB HIS 90 3.283 -20.133 -0.935 693 HD1 HIS 90 HD1 HIS 90 1.280 -22.015 -0.158 694 HD2 HIS 90 HD2 HIS 90 5.044 -23.421 -1.377 695 HE1 HIS 90 HE1 HIS 90 1.475 -24.431 0.703 696 H GLU 91 H GLU 91 0.771 -21.607 -4.424 697 HA GLU 91 HA GLU 91 -1.578 -20.684 -3.286 698 1HB GLU 91 1HB GLU 91 -1.070 -23.369 -4.646 699 2HB GLU 91 2HB GLU 91 -2.660 -22.651 -4.353 700 1HG GLU 91 1HG GLU 91 -1.968 -20.637 -5.683 701 2HG GLU 91 2HG GLU 91 -0.465 -21.462 -6.117 702 1H SER 1 1H SER 1 -10.767 -0.752 -13.575 703 2H SER 1 2H SER 1 -10.303 -1.027 -15.139 704 3H SER 1 3H SER 1 -11.520 -1.909 -14.460 705 HA SER 1 HA SER 1 -10.091 -3.005 -12.975 706 1HB SER 1 1HB SER 1 -8.902 -3.003 -15.744 707 2HB SER 1 2HB SER 1 -8.848 -4.339 -14.558 708 HG SER 1 HG SER 1 -11.267 -4.167 -14.675 709 H GLU 2 H GLU 2 -9.064 -0.011 -13.479 710 HA GLU 2 HA GLU 2 -6.306 -0.042 -13.905 711 1HB GLU 2 1HB GLU 2 -7.887 1.841 -12.098 712 2HB GLU 2 2HB GLU 2 -6.292 2.163 -12.807 713 1HG GLU 2 1HG GLU 2 -8.957 1.910 -14.267 714 2HG GLU 2 2HG GLU 2 -7.937 3.335 -14.099 715 H LEU 3 H LEU 3 -8.008 -0.206 -10.764 716 HA LEU 3 HA LEU 3 -5.619 -0.388 -9.191 717 1HB LEU 3 1HB LEU 3 -8.367 -1.515 -8.532 718 2HB LEU 3 2HB LEU 3 -7.008 -1.272 -7.416 719 HG LEU 3 HG LEU 3 -8.631 0.898 -8.815 720 1HD1 LEU 3 1HD1 LEU 3 -9.641 -0.210 -6.841 721 2HD1 LEU 3 2HD1 LEU 3 -8.177 0.139 -5.901 722 3HD1 LEU 3 3HD1 LEU 3 -9.187 1.471 -6.494 723 1HD2 LEU 3 1HD2 LEU 3 -7.275 2.521 -7.539 724 2HD2 LEU 3 2HD2 LEU 3 -6.166 1.209 -7.097 725 3HD2 LEU 3 3HD2 LEU 3 -6.346 1.713 -8.802 726 H GLU 4 H GLU 4 -7.798 -3.005 -10.441 727 HA GLU 4 HA GLU 4 -6.335 -5.197 -9.576 728 1HB GLU 4 1HB GLU 4 -8.515 -5.226 -10.688 729 2HB GLU 4 2HB GLU 4 -7.784 -4.828 -12.240 730 1HG GLU 4 1HG GLU 4 -7.167 -7.324 -10.611 731 2HG GLU 4 2HG GLU 4 -8.425 -7.206 -11.857 732 H LYS 5 H LYS 5 -5.715 -3.182 -12.469 733 HA LYS 5 HA LYS 5 -3.538 -4.814 -13.432 734 1HB LYS 5 1HB LYS 5 -4.336 -1.962 -14.068 735 2HB LYS 5 2HB LYS 5 -3.028 -2.831 -14.878 736 1HG LYS 5 1HG LYS 5 -5.930 -3.753 -14.808 737 2HG LYS 5 2HG LYS 5 -5.172 -2.868 -16.138 738 1HD LYS 5 1HD LYS 5 -3.502 -4.753 -16.369 739 2HD LYS 5 2HD LYS 5 -4.415 -5.671 -15.159 740 1HE LYS 5 1HE LYS 5 -5.505 -4.710 -17.836 741 2HE LYS 5 2HE LYS 5 -5.042 -6.365 -17.405 742 1HZ LYS 5 1HZ LYS 5 -7.360 -6.137 -17.178 743 2HZ LYS 5 2HZ LYS 5 -6.723 -6.267 -15.657 744 3HZ LYS 5 3HZ LYS 5 -7.220 -4.804 -16.222 745 H ALA 6 H ALA 6 -3.619 -1.739 -11.614 746 HA ALA 6 HA ALA 6 -0.854 -1.399 -11.217 747 1HB ALA 6 1HB ALA 6 -2.576 0.249 -10.620 748 2HB ALA 6 2HB ALA 6 -3.185 -0.815 -9.343 749 3HB ALA 6 3HB ALA 6 -1.555 -0.115 -9.209 750 H VAL 7 H VAL 7 -3.201 -3.253 -9.260 751 HA VAL 7 HA VAL 7 -1.471 -4.228 -7.267 752 HB VAL 7 HB VAL 7 -4.106 -5.112 -8.459 753 1HG1 VAL 7 1HG1 VAL 7 -3.095 -7.217 -7.770 754 2HG1 VAL 7 2HG1 VAL 7 -2.737 -6.532 -6.166 755 3HG1 VAL 7 3HG1 VAL 7 -4.416 -6.736 -6.697 756 1HG2 VAL 7 1HG2 VAL 7 -3.327 -4.128 -5.684 757 2HG2 VAL 7 2HG2 VAL 7 -3.960 -3.086 -6.962 758 3HG2 VAL 7 3HG2 VAL 7 -4.971 -4.383 -6.300 759 H VAL 8 H VAL 8 -2.441 -5.944 -10.385 760 HA VAL 8 HA VAL 8 -0.559 -8.028 -9.748 761 HB VAL 8 HB VAL 8 -0.818 -8.872 -11.973 762 1HG1 VAL 8 1HG1 VAL 8 -3.207 -9.395 -11.826 763 2HG1 VAL 8 2HG1 VAL 8 -2.460 -9.421 -10.220 764 3HG1 VAL 8 3HG1 VAL 8 -3.465 -8.041 -10.709 765 1HG2 VAL 8 1HG2 VAL 8 -2.335 -7.876 -13.602 766 2HG2 VAL 8 2HG2 VAL 8 -2.593 -6.496 -12.530 767 3HG2 VAL 8 3HG2 VAL 8 -0.999 -6.758 -13.267 768 H ALA 9 H ALA 9 -0.157 -4.917 -11.451 769 HA ALA 9 HA ALA 9 2.460 -5.443 -12.432 770 1HB ALA 9 1HB ALA 9 1.145 -3.464 -13.089 771 2HB ALA 9 2HB ALA 9 1.370 -2.770 -11.469 772 3HB ALA 9 3HB ALA 9 2.771 -3.050 -12.509 773 H LEU 10 H LEU 10 1.412 -4.118 -9.216 774 HA LEU 10 HA LEU 10 4.029 -3.879 -8.098 775 1HB LEU 10 1HB LEU 10 1.405 -4.625 -6.738 776 2HB LEU 10 2HB LEU 10 2.888 -4.195 -5.894 777 HG LEU 10 HG LEU 10 1.368 -2.312 -7.748 778 1HD1 LEU 10 1HD1 LEU 10 0.088 -2.884 -5.709 779 2HD1 LEU 10 2HD1 LEU 10 1.490 -2.445 -4.709 780 3HD1 LEU 10 3HD1 LEU 10 0.656 -1.206 -5.671 781 1HD2 LEU 10 1HD2 LEU 10 3.730 -1.853 -5.889 782 2HD2 LEU 10 2HD2 LEU 10 3.705 -1.686 -7.664 783 3HD2 LEU 10 3HD2 LEU 10 2.779 -0.568 -6.662 784 H ILE 11 H ILE 11 1.774 -6.689 -8.084 785 HA ILE 11 HA ILE 11 3.569 -8.367 -6.650 786 HB ILE 11 HB ILE 11 1.353 -9.082 -8.607 787 1HG1 ILE 11 1HG1 ILE 11 1.531 -8.940 -5.556 788 2HG1 ILE 11 2HG1 ILE 11 0.604 -7.882 -6.617 789 1HG2 ILE 11 1HG2 ILE 11 1.423 -11.365 -7.715 790 2HG2 ILE 11 2HG2 ILE 11 2.966 -10.980 -8.448 791 3HG2 ILE 11 3HG2 ILE 11 2.802 -10.953 -6.683 792 1HD1 ILE 11 1HD1 ILE 11 -0.770 -9.889 -7.306 793 2HD1 ILE 11 2HD1 ILE 11 0.047 -10.814 -6.017 794 3HD1 ILE 11 3HD1 ILE 11 -0.910 -9.389 -5.609 795 H ASP 12 H ASP 12 3.135 -8.048 -10.197 796 HA ASP 12 HA ASP 12 5.059 -9.963 -10.938 797 1HB ASP 12 1HB ASP 12 3.444 -9.026 -12.513 798 2HB ASP 12 2HB ASP 12 4.170 -7.421 -12.365 799 H VAL 13 H VAL 13 5.453 -6.412 -10.560 800 HA VAL 13 HA VAL 13 8.210 -6.280 -11.196 801 HB VAL 13 HB VAL 13 6.405 -4.555 -9.443 802 1HG1 VAL 13 1HG1 VAL 13 9.294 -4.056 -10.265 803 2HG1 VAL 13 2HG1 VAL 13 8.198 -2.814 -9.623 804 3HG1 VAL 13 3HG1 VAL 13 8.667 -4.180 -8.607 805 1HG2 VAL 13 1HG2 VAL 13 6.475 -3.047 -11.326 806 2HG2 VAL 13 2HG2 VAL 13 7.673 -4.053 -12.173 807 3HG2 VAL 13 3HG2 VAL 13 6.016 -4.639 -11.955 808 H PHE 14 H PHE 14 6.617 -6.544 -7.945 809 HA PHE 14 HA PHE 14 9.044 -6.694 -6.506 810 1HB PHE 14 1HB PHE 14 6.779 -6.395 -5.526 811 2HB PHE 14 2HB PHE 14 6.435 -8.097 -5.832 812 HD1 PHE 14 HD1 PHE 14 8.109 -5.732 -3.607 813 HD2 PHE 14 HD2 PHE 14 7.915 -9.902 -4.719 814 HE1 PHE 14 HE1 PHE 14 8.879 -6.394 -1.348 815 HE2 PHE 14 HE2 PHE 14 8.700 -10.540 -2.493 816 HZ PHE 14 HZ PHE 14 9.045 -8.782 -0.734 817 H HIS 15 H HIS 15 7.023 -9.364 -7.828 818 HA HIS 15 HA HIS 15 8.525 -11.543 -6.972 819 1HB HIS 15 1HB HIS 15 6.313 -11.671 -7.987 820 2HB HIS 15 2HB HIS 15 6.988 -11.249 -9.565 821 HD1 HIS 15 HD1 HIS 15 7.804 -13.295 -10.975 822 HD2 HIS 15 HD2 HIS 15 7.365 -14.062 -6.858 823 HE1 HIS 15 HE1 HIS 15 8.202 -15.798 -10.647 824 H GLN 16 H GLN 16 8.886 -9.611 -9.985 825 HA GLN 16 HA GLN 16 10.953 -11.030 -11.202 826 1HB GLN 16 1HB GLN 16 9.678 -9.121 -12.180 827 2HB GLN 16 2HB GLN 16 10.593 -8.004 -11.159 828 1HG GLN 16 1HG GLN 16 12.713 -8.787 -12.245 829 2HG GLN 16 2HG GLN 16 11.739 -9.771 -13.348 830 1HE2 GLN 16 1HE2 GLN 16 9.790 -8.348 -14.357 831 2HE2 GLN 16 2HE2 GLN 16 10.323 -6.791 -14.968 832 H TYR 17 H TYR 17 11.293 -8.340 -8.797 833 HA TYR 17 HA TYR 17 14.199 -8.620 -8.781 834 1HB TYR 17 1HB TYR 17 12.319 -6.965 -7.099 835 2HB TYR 17 2HB TYR 17 14.067 -6.984 -6.893 836 HD1 TYR 17 HD1 TYR 17 11.347 -5.716 -8.939 837 HD2 TYR 17 HD2 TYR 17 15.613 -6.230 -8.726 838 HE1 TYR 17 HE1 TYR 17 11.627 -4.041 -10.724 839 HE2 TYR 17 HE2 TYR 17 15.895 -4.528 -10.516 840 HH TYR 17 HH TYR 17 13.102 -2.908 -12.056 841 H SER 18 H SER 18 11.669 -9.401 -6.371 842 HA SER 18 HA SER 18 13.317 -10.451 -4.311 843 1HB SER 18 1HB SER 18 11.342 -11.697 -3.626 844 2HB SER 18 2HB SER 18 11.002 -9.988 -3.949 845 HG SER 18 HG SER 18 10.196 -10.600 -5.983 846 H GLY 19 H GLY 19 12.287 -11.990 -7.405 847 1HA GLY 19 1HA GLY 19 12.925 -14.667 -6.664 848 2HA GLY 19 2HA GLY 19 12.790 -14.003 -8.302 849 H ARG 20 H ARG 20 14.915 -11.904 -7.502 850 HA ARG 20 HA ARG 20 17.111 -13.488 -8.577 851 1HB ARG 20 1HB ARG 20 17.211 -10.576 -7.773 852 2HB ARG 20 2HB ARG 20 18.205 -11.452 -8.945 853 1HG ARG 20 1HG ARG 20 15.951 -11.868 -10.221 854 2HG ARG 20 2HG ARG 20 15.254 -10.742 -9.113 855 1HD ARG 20 1HD ARG 20 15.909 -9.788 -11.347 856 2HD ARG 20 2HD ARG 20 16.264 -8.867 -9.906 857 HE ARG 20 HE ARG 20 18.193 -10.299 -11.661 858 1HH1 ARG 20 2HH2 ARG 20 17.785 -8.355 -8.701 859 2HH1 ARG 20 1HH2 ARG 20 19.264 -7.481 -8.905 860 1HH2 ARG 20 1HH1 ARG 20 20.250 -9.327 -11.787 861 2HH2 ARG 20 2HH1 ARG 20 20.764 -8.177 -10.579 862 H GLU 21 H GLU 21 16.541 -11.523 -5.597 863 HA GLU 21 HA GLU 21 18.117 -13.501 -4.102 864 1HB GLU 21 1HB GLU 21 18.877 -10.577 -3.861 865 2HB GLU 21 2HB GLU 21 19.562 -11.968 -3.007 866 1HG GLU 21 1HG GLU 21 20.433 -12.860 -5.147 867 2HG GLU 21 2HG GLU 21 19.845 -11.407 -5.981 868 H GLY 22 H GLY 22 16.360 -14.130 -2.940 869 1HA GLY 22 1HA GLY 22 15.800 -13.058 -0.490 870 2HA GLY 22 2HA GLY 22 14.587 -12.323 -1.571 871 H ASP 23 H ASP 23 13.831 -14.198 0.448 872 HA ASP 23 HA ASP 23 13.578 -16.842 -0.753 873 1HB ASP 23 1HB ASP 23 13.816 -16.463 1.683 874 2HB ASP 23 2HB ASP 23 12.259 -15.619 1.705 875 H LYS 24 H LYS 24 12.609 -15.169 -2.620 876 HA LYS 24 HA LYS 24 10.971 -14.610 -4.001 877 1HB LYS 24 1HB LYS 24 9.280 -16.716 -2.608 878 2HB LYS 24 2HB LYS 24 9.000 -16.023 -4.199 879 1HG LYS 24 1HG LYS 24 11.368 -17.755 -3.377 880 2HG LYS 24 2HG LYS 24 9.995 -18.247 -4.356 881 1HD LYS 24 1HD LYS 24 12.193 -16.276 -5.103 882 2HD LYS 24 2HD LYS 24 11.879 -17.855 -5.810 883 1HE LYS 24 1HE LYS 24 10.149 -15.352 -6.113 884 2HE LYS 24 2HE LYS 24 11.103 -16.160 -7.356 885 1HZ LYS 24 1HZ LYS 24 8.798 -16.682 -7.506 886 2HZ LYS 24 2HZ LYS 24 9.672 -18.047 -7.182 887 3HZ LYS 24 3HZ LYS 24 8.786 -17.326 -5.990 888 H HIS 25 H HIS 25 9.636 -14.791 -0.698 889 HA HIS 25 HA HIS 25 7.527 -12.853 -1.261 890 1HB HIS 25 1HB HIS 25 8.498 -14.039 1.371 891 2HB HIS 25 2HB HIS 25 6.948 -13.263 1.059 892 HD1 HIS 25 HD1 HIS 25 8.833 -16.503 -0.053 893 HD2 HIS 25 HD2 HIS 25 4.985 -14.877 0.514 894 HE1 HIS 25 HE1 HIS 25 7.171 -18.399 -0.416 895 H LYS 26 H LYS 26 10.840 -12.301 -0.939 896 HA LYS 26 HA LYS 26 10.454 -9.851 0.601 897 1HB LYS 26 1HB LYS 26 12.640 -11.754 1.395 898 2HB LYS 26 2HB LYS 26 12.026 -10.360 2.285 899 1HG LYS 26 1HG LYS 26 9.846 -11.707 2.603 900 2HG LYS 26 2HG LYS 26 10.712 -13.094 1.921 901 1HD LYS 26 1HD LYS 26 12.350 -13.022 3.699 902 2HD LYS 26 2HD LYS 26 11.636 -11.529 4.363 903 1HE LYS 26 1HE LYS 26 9.502 -12.830 4.763 904 2HE LYS 26 2HE LYS 26 10.339 -14.289 4.198 905 1HZ LYS 26 1HZ LYS 26 11.068 -12.639 6.514 906 2HZ LYS 26 2HZ LYS 26 10.420 -14.155 6.547 907 3HZ LYS 26 3HZ LYS 26 11.948 -13.917 5.964 908 H LEU 27 H LEU 27 12.363 -8.485 0.608 909 HA LEU 27 HA LEU 27 13.999 -8.711 -1.906 910 1HB LEU 27 1HB LEU 27 12.703 -6.421 -0.389 911 2HB LEU 27 2HB LEU 27 13.969 -6.121 -1.548 912 HG LEU 27 HG LEU 27 11.307 -7.471 -2.163 913 1HD1 LEU 27 1HD1 LEU 27 10.759 -5.275 -3.229 914 2HD1 LEU 27 2HD1 LEU 27 11.105 -5.068 -1.500 915 3HD1 LEU 27 3HD1 LEU 27 12.339 -4.656 -2.715 916 1HD2 LEU 27 1HD2 LEU 27 13.054 -8.085 -3.842 917 2HD2 LEU 27 2HD2 LEU 27 11.808 -7.025 -4.522 918 3HD2 LEU 27 3HD2 LEU 27 13.388 -6.353 -4.087 919 H LYS 28 H LYS 28 16.178 -9.039 -1.452 920 HA LYS 28 HA LYS 28 17.422 -8.318 1.069 921 1HB LYS 28 1HB LYS 28 18.496 -8.730 -1.747 922 2HB LYS 28 2HB LYS 28 19.551 -8.468 -0.359 923 1HG LYS 28 1HG LYS 28 17.540 -10.733 -0.416 924 2HG LYS 28 2HG LYS 28 19.139 -10.820 -1.176 925 1HD LYS 28 1HD LYS 28 20.234 -10.336 1.007 926 2HD LYS 28 2HD LYS 28 18.649 -10.223 1.780 927 1HE LYS 28 1HE LYS 28 19.532 -12.418 2.241 928 2HE LYS 28 2HE LYS 28 18.195 -12.605 1.097 929 1HZ LYS 28 1HZ LYS 28 21.044 -12.578 0.390 930 2HZ LYS 28 2HZ LYS 28 20.089 -13.918 0.503 931 3HZ LYS 28 3HZ LYS 28 19.789 -12.790 -0.659 932 H LYS 29 H LYS 29 19.207 -6.600 1.156 933 HA LYS 29 HA LYS 29 18.238 -4.018 0.496 934 1HB LYS 29 1HB LYS 29 20.377 -3.179 1.136 935 2HB LYS 29 2HB LYS 29 19.883 -4.428 2.273 936 1HG LYS 29 1HG LYS 29 21.464 -6.022 1.217 937 2HG LYS 29 2HG LYS 29 21.893 -4.795 0.001 938 1HD LYS 29 1HD LYS 29 22.717 -3.280 1.765 939 2HD LYS 29 2HD LYS 29 22.277 -4.464 3.004 940 1HE LYS 29 1HE LYS 29 24.677 -4.567 2.532 941 2HE LYS 29 2HE LYS 29 23.897 -6.083 2.059 942 1HZ LYS 29 1HZ LYS 29 25.455 -5.306 0.429 943 2HZ LYS 29 2HZ LYS 29 23.940 -5.328 -0.207 944 3HZ LYS 29 3HZ LYS 29 24.637 -3.897 0.215 945 H SER 30 H SER 30 20.304 -6.223 -1.413 946 HA SER 30 HA SER 30 21.127 -4.362 -3.400 947 1HB SER 30 1HB SER 30 21.182 -6.666 -4.701 948 2HB SER 30 2HB SER 30 22.255 -6.444 -3.303 949 HG SER 30 HG SER 30 20.933 -8.432 -3.330 950 H GLU 31 H GLU 31 18.380 -6.707 -3.204 951 HA GLU 31 HA GLU 31 17.311 -5.959 -5.755 952 1HB GLU 31 1HB GLU 31 15.878 -7.255 -3.379 953 2HB GLU 31 2HB GLU 31 15.335 -7.231 -5.061 954 1HG GLU 31 1HG GLU 31 17.779 -8.639 -3.962 955 2HG GLU 31 2HG GLU 31 16.325 -9.386 -4.640 956 H LEU 32 H LEU 32 16.439 -5.052 -2.440 957 HA LEU 32 HA LEU 32 14.261 -3.395 -2.969 958 1HB LEU 32 1HB LEU 32 15.003 -4.270 -0.770 959 2HB LEU 32 2HB LEU 32 16.394 -3.179 -0.790 960 HG LEU 32 HG LEU 32 14.462 -2.604 0.679 961 1HD1 LEU 32 1HD1 LEU 32 14.589 -0.224 0.360 962 2HD1 LEU 32 2HD1 LEU 32 16.176 -0.933 0.021 963 3HD1 LEU 32 3HD1 LEU 32 15.132 -0.410 -1.313 964 1HD2 LEU 32 1HD2 LEU 32 12.473 -1.558 -0.174 965 2HD2 LEU 32 2HD2 LEU 32 13.000 -1.811 -1.848 966 3HD2 LEU 32 3HD2 LEU 32 12.623 -3.202 -0.806 967 H LYS 33 H LYS 33 17.761 -2.529 -2.722 968 HA LYS 33 HA LYS 33 17.505 0.226 -3.168 969 1HB LYS 33 1HB LYS 33 19.543 -0.707 -2.445 970 2HB LYS 33 2HB LYS 33 19.672 -1.806 -3.809 971 1HG LYS 33 1HG LYS 33 20.074 0.108 -5.340 972 2HG LYS 33 2HG LYS 33 19.874 1.236 -3.984 973 1HD LYS 33 1HD LYS 33 21.816 0.129 -2.838 974 2HD LYS 33 2HD LYS 33 22.024 -0.929 -4.239 975 1HE LYS 33 1HE LYS 33 22.203 2.127 -4.265 976 2HE LYS 33 2HE LYS 33 23.585 1.027 -4.227 977 1HZ LYS 33 1HZ LYS 33 22.867 0.143 -6.332 978 2HZ LYS 33 2HZ LYS 33 21.600 1.196 -6.383 979 3HZ LYS 33 3HZ LYS 33 23.146 1.764 -6.429 980 H GLU 34 H GLU 34 18.249 -2.294 -5.692 981 HA GLU 34 HA GLU 34 18.095 -0.287 -7.727 982 1HB GLU 34 1HB GLU 34 18.235 -2.109 -9.350 983 2HB GLU 34 2HB GLU 34 19.415 -2.308 -8.047 984 1HG GLU 34 1HG GLU 34 17.875 -3.982 -6.972 985 2HG GLU 34 2HG GLU 34 16.796 -3.840 -8.354 986 H LEU 35 H LEU 35 15.701 -2.635 -6.538 987 HA LEU 35 HA LEU 35 13.558 -2.181 -8.279 988 1HB LEU 35 1HB LEU 35 13.539 -3.916 -6.677 989 2HB LEU 35 2HB LEU 35 13.786 -2.808 -5.334 990 HG LEU 35 HG LEU 35 11.592 -3.918 -5.484 991 1HD1 LEU 35 1HD1 LEU 35 11.327 -0.905 -5.385 992 2HD1 LEU 35 2HD1 LEU 35 10.454 -2.148 -4.485 993 3HD1 LEU 35 3HD1 LEU 35 12.149 -1.868 -4.129 994 1HD2 LEU 35 1HD2 LEU 35 10.903 -1.877 -7.624 995 2HD2 LEU 35 2HD2 LEU 35 11.143 -3.606 -7.911 996 3HD2 LEU 35 3HD2 LEU 35 9.829 -3.071 -6.857 997 H ILE 36 H ILE 36 14.330 -0.315 -5.222 998 HA ILE 36 HA ILE 36 12.191 1.528 -5.733 999 HB ILE 36 HB ILE 36 14.642 1.854 -3.968 1000 1HG1 ILE 36 1HG1 ILE 36 11.714 1.116 -3.408 1001 2HG1 ILE 36 2HG1 ILE 36 13.102 0.042 -3.274 1002 1HG2 ILE 36 1HG2 ILE 36 13.575 4.074 -4.692 1003 2HG2 ILE 36 2HG2 ILE 36 12.060 3.467 -4.013 1004 3HG2 ILE 36 3HG2 ILE 36 13.469 3.750 -2.970 1005 1HD1 ILE 36 1HD1 ILE 36 12.554 0.723 -1.062 1006 2HD1 ILE 36 2HD1 ILE 36 14.035 1.610 -1.495 1007 3HD1 ILE 36 3HD1 ILE 36 12.459 2.423 -1.508 1008 H ASN 37 H ASN 37 15.755 1.907 -6.275 1009 HA ASN 37 HA ASN 37 15.611 4.544 -7.285 1010 1HB ASN 37 1HB ASN 37 17.529 2.303 -8.050 1011 2HB ASN 37 2HB ASN 37 17.645 3.953 -8.692 1012 1HD2 ASN 37 2HD2 ASN 37 17.764 2.071 -5.691 1013 2HD2 ASN 37 1HD2 ASN 37 18.807 3.194 -4.838 1014 H ASN 38 H ASN 38 15.310 1.453 -9.087 1015 HA ASN 38 HA ASN 38 15.071 2.784 -11.643 1016 1HB ASN 38 1HB ASN 38 16.042 0.533 -11.345 1017 2HB ASN 38 2HB ASN 38 14.471 -0.076 -10.774 1018 1HD2 ASN 38 1HD2 ASN 38 14.702 -1.678 -12.533 1019 2HD2 ASN 38 2HD2 ASN 38 14.248 -1.179 -14.156 1020 H GLU 39 H GLU 39 12.710 0.970 -9.545 1021 HA GLU 39 HA GLU 39 10.625 1.605 -11.494 1022 1HB GLU 39 1HB GLU 39 10.393 0.042 -8.935 1023 2HB GLU 39 2HB GLU 39 9.279 0.041 -10.317 1024 1HG GLU 39 1HG GLU 39 12.123 -1.047 -10.368 1025 2HG GLU 39 2HG GLU 39 10.641 -1.982 -10.214 1026 H LEU 40 H LEU 40 11.673 3.053 -8.516 1027 HA LEU 40 HA LEU 40 9.093 4.539 -8.364 1028 1HB LEU 40 1HB LEU 40 10.202 3.194 -6.369 1029 2HB LEU 40 2HB LEU 40 11.244 4.612 -6.272 1030 HG LEU 40 HG LEU 40 9.212 6.028 -5.916 1031 1HD1 LEU 40 1HD1 LEU 40 7.762 3.339 -5.830 1032 2HD1 LEU 40 2HD1 LEU 40 7.092 4.874 -5.253 1033 3HD1 LEU 40 3HD1 LEU 40 7.422 4.661 -6.972 1034 1HD2 LEU 40 1HD2 LEU 40 8.803 5.179 -3.617 1035 2HD2 LEU 40 2HD2 LEU 40 9.535 3.628 -4.084 1036 3HD2 LEU 40 3HD2 LEU 40 10.517 5.101 -4.050 1037 H SER 41 H SER 41 11.790 4.786 -10.069 1038 HA SER 41 HA SER 41 13.377 6.878 -9.532 1039 1HB SER 41 1HB SER 41 13.287 7.219 -12.127 1040 2HB SER 41 2HB SER 41 13.783 5.645 -11.513 1041 HG SER 41 HG SER 41 12.085 4.765 -12.315 1042 H HIS 42 H HIS 42 10.319 7.199 -11.291 1043 HA HIS 42 HA HIS 42 10.459 9.958 -11.731 1044 1HB HIS 42 1HB HIS 42 9.082 8.380 -12.946 1045 2HB HIS 42 2HB HIS 42 8.029 8.159 -11.568 1046 HD1 HIS 42 HD1 HIS 42 8.223 11.693 -11.403 1047 HD2 HIS 42 HD2 HIS 42 6.740 8.985 -14.260 1048 HE1 HIS 42 HE1 HIS 42 6.562 12.988 -12.854 1049 H PHE 43 H PHE 43 9.728 8.358 -8.723 1050 HA PHE 43 HA PHE 43 8.896 10.967 -7.470 1051 1HB PHE 43 1HB PHE 43 8.724 8.084 -6.544 1052 2HB PHE 43 2HB PHE 43 8.654 9.452 -5.441 1053 HD1 PHE 43 HD1 PHE 43 6.866 10.441 -8.387 1054 HD2 PHE 43 HD2 PHE 43 6.613 7.996 -4.832 1055 HE1 PHE 43 HE1 PHE 43 4.400 10.526 -8.490 1056 HE2 PHE 43 HE2 PHE 43 4.140 8.243 -4.852 1057 HZ PHE 43 HZ PHE 43 3.033 9.368 -6.766 1058 H LEU 44 H LEU 44 11.031 8.107 -6.830 1059 HA LEU 44 HA LEU 44 12.548 9.830 -4.994 1060 1HB LEU 44 1HB LEU 44 12.215 6.881 -5.321 1061 2HB LEU 44 2HB LEU 44 13.808 7.451 -4.818 1062 HG LEU 44 HG LEU 44 12.783 8.814 -3.009 1063 1HD1 LEU 44 1HD1 LEU 44 10.490 9.066 -3.842 1064 2HD1 LEU 44 2HD1 LEU 44 10.247 7.315 -3.822 1065 3HD1 LEU 44 3HD1 LEU 44 10.450 8.204 -2.297 1066 1HD2 LEU 44 1HD2 LEU 44 13.802 6.685 -2.549 1067 2HD2 LEU 44 2HD2 LEU 44 12.405 6.955 -1.493 1068 3HD2 LEU 44 3HD2 LEU 44 12.273 5.841 -2.869 1069 H GLU 45 H GLU 45 14.260 10.828 -5.465 1070 HA GLU 45 HA GLU 45 15.784 10.575 -7.894 1071 1HB GLU 45 1HB GLU 45 17.321 12.155 -6.785 1072 2HB GLU 45 2HB GLU 45 15.640 12.680 -6.643 1073 1HG GLU 45 1HG GLU 45 15.599 11.750 -4.282 1074 2HG GLU 45 2HG GLU 45 17.305 11.326 -4.473 1075 H GLU 46 H GLU 46 18.212 10.091 -7.765 1076 HA GLU 46 HA GLU 46 18.593 7.413 -7.137 1077 1HB GLU 46 1HB GLU 46 20.015 8.580 -8.737 1078 2HB GLU 46 2HB GLU 46 20.618 9.677 -7.474 1079 1HG GLU 46 1HG GLU 46 21.731 7.848 -6.327 1080 2HG GLU 46 2HG GLU 46 21.061 6.660 -7.470 1081 H ILE 47 H ILE 47 19.180 6.306 -5.461 1082 HA ILE 47 HA ILE 47 19.333 7.652 -2.838 1083 HB ILE 47 HB ILE 47 19.013 4.699 -3.426 1084 1HG1 ILE 47 1HG1 ILE 47 16.873 6.848 -3.033 1085 2HG1 ILE 47 2HG1 ILE 47 17.220 6.028 -4.568 1086 1HG2 ILE 47 1HG2 ILE 47 18.263 6.401 -1.006 1087 2HG2 ILE 47 2HG2 ILE 47 18.114 4.641 -1.143 1088 3HG2 ILE 47 3HG2 ILE 47 19.714 5.388 -1.099 1089 1HD1 ILE 47 1HD1 ILE 47 16.064 4.721 -2.111 1090 2HD1 ILE 47 2HD1 ILE 47 15.332 5.051 -3.692 1091 3HD1 ILE 47 3HD1 ILE 47 16.637 3.857 -3.568 1092 H LYS 48 H LYS 48 21.029 5.029 -4.575 1093 HA LYS 48 HA LYS 48 23.160 4.403 -4.756 1094 1HB LYS 48 1HB LYS 48 23.455 6.702 -5.411 1095 2HB LYS 48 2HB LYS 48 23.760 7.195 -3.736 1096 1HG LYS 48 1HG LYS 48 25.840 5.982 -3.676 1097 2HG LYS 48 2HG LYS 48 25.483 5.174 -5.212 1098 1HD LYS 48 1HD LYS 48 27.107 7.024 -5.468 1099 2HD LYS 48 2HD LYS 48 25.647 7.269 -6.439 1100 1HE LYS 48 1HE LYS 48 24.772 8.899 -4.828 1101 2HE LYS 48 2HE LYS 48 26.105 8.556 -3.706 1102 1HZ LYS 48 1HZ LYS 48 27.605 9.417 -5.356 1103 2HZ LYS 48 2HZ LYS 48 26.461 10.538 -4.967 1104 3HZ LYS 48 3HZ LYS 48 26.355 9.717 -6.391 1105 H GLU 49 H GLU 49 23.140 6.210 -1.658 1106 HA GLU 49 HA GLU 49 25.319 4.811 -0.533 1107 1HB GLU 49 1HB GLU 49 23.063 6.327 0.849 1108 2HB GLU 49 2HB GLU 49 24.615 5.888 1.581 1109 1HG GLU 49 1HG GLU 49 24.239 7.773 -0.802 1110 2HG GLU 49 2HG GLU 49 24.592 8.236 0.861 1111 H GLN 50 H GLN 50 25.120 2.586 -0.612 1112 HA GLN 50 HA GLN 50 23.063 0.944 0.145 1113 1HB GLN 50 1HB GLN 50 26.047 0.589 0.509 1114 2HB GLN 50 2HB GLN 50 24.878 -0.655 0.978 1115 1HG GLN 50 1HG GLN 50 23.916 -0.634 -1.329 1116 2HG GLN 50 2HG GLN 50 25.214 0.463 -1.833 1117 1HE2 GLN 50 1HE2 GLN 50 27.500 -0.394 -1.580 1118 2HE2 GLN 50 2HE2 GLN 50 27.729 -2.132 -1.673 1119 H GLU 51 H GLU 51 25.097 2.807 2.344 1120 HA GLU 51 HA GLU 51 24.393 1.544 4.798 1121 1HB GLU 51 1HB GLU 51 24.988 4.496 4.230 1122 2HB GLU 51 2HB GLU 51 24.955 3.715 5.808 1123 1HG GLU 51 1HG GLU 51 27.241 3.898 5.214 1124 2HG GLU 51 2HG GLU 51 26.816 2.190 5.073 1125 H VAL 52 H VAL 52 22.802 4.143 2.878 1126 HA VAL 52 HA VAL 52 20.658 4.426 4.843 1127 HB VAL 52 HB VAL 52 20.944 5.605 2.050 1128 1HG1 VAL 52 1HG1 VAL 52 18.603 5.402 2.475 1129 2HG1 VAL 52 2HG1 VAL 52 18.799 5.835 4.184 1130 3HG1 VAL 52 3HG1 VAL 52 19.024 7.051 2.920 1131 1HG2 VAL 52 1HG2 VAL 52 22.569 6.501 3.703 1132 2HG2 VAL 52 2HG2 VAL 52 21.324 7.704 3.346 1133 3HG2 VAL 52 3HG2 VAL 52 21.248 6.782 4.857 1134 H VAL 53 H VAL 53 21.058 2.820 1.563 1135 HA VAL 53 HA VAL 53 18.364 2.086 1.443 1136 HB VAL 53 HB VAL 53 18.750 0.763 -0.253 1137 1HG1 VAL 53 1HG1 VAL 53 21.349 2.256 -0.459 1138 2HG1 VAL 53 2HG1 VAL 53 20.260 1.739 -1.741 1139 3HG1 VAL 53 3HG1 VAL 53 19.753 3.012 -0.625 1140 1HG2 VAL 53 1HG2 VAL 53 20.920 -0.491 -0.752 1141 2HG2 VAL 53 2HG2 VAL 53 21.351 -0.198 0.925 1142 3HG2 VAL 53 3HG2 VAL 53 19.875 -1.091 0.538 1143 H ASP 54 H ASP 54 21.100 0.380 2.974 1144 HA ASP 54 HA ASP 54 19.752 -1.826 4.074 1145 1HB ASP 54 1HB ASP 54 22.187 -1.603 4.050 1146 2HB ASP 54 2HB ASP 54 22.100 -0.260 5.201 1147 H LYS 55 H LYS 55 20.320 1.477 5.502 1148 HA LYS 55 HA LYS 55 18.995 0.921 7.904 1149 1HB LYS 55 1HB LYS 55 20.421 2.938 7.437 1150 2HB LYS 55 2HB LYS 55 19.111 3.593 6.446 1151 1HG LYS 55 1HG LYS 55 18.972 4.659 8.559 1152 2HG LYS 55 2HG LYS 55 17.613 3.555 8.474 1153 1HD LYS 55 1HD LYS 55 19.781 2.060 9.657 1154 2HD LYS 55 2HD LYS 55 19.857 3.673 10.349 1155 1HE LYS 55 1HE LYS 55 18.434 2.373 11.778 1156 2HE LYS 55 2HE LYS 55 17.376 3.486 10.893 1157 1HZ LYS 55 1HZ LYS 55 16.447 1.330 10.907 1158 2HZ LYS 55 2HZ LYS 55 16.934 1.615 9.366 1159 3HZ LYS 55 3HZ LYS 55 17.831 0.632 10.346 1160 H VAL 56 H VAL 56 17.555 2.379 4.893 1161 HA VAL 56 HA VAL 56 14.997 2.646 6.141 1162 HB VAL 56 HB VAL 56 14.021 3.066 4.015 1163 1HG1 VAL 56 1HG1 VAL 56 16.740 4.428 4.203 1164 2HG1 VAL 56 2HG1 VAL 56 15.300 5.037 3.377 1165 3HG1 VAL 56 3HG1 VAL 56 15.295 4.865 5.140 1166 1HG2 VAL 56 1HG2 VAL 56 15.329 3.097 1.919 1167 2HG2 VAL 56 2HG2 VAL 56 16.656 2.287 2.764 1168 3HG2 VAL 56 3HG2 VAL 56 15.102 1.455 2.528 1169 H MET 57 H MET 57 16.335 0.025 4.017 1170 HA MET 57 HA MET 57 13.877 -1.422 4.092 1171 1HB MET 57 1HB MET 57 14.968 -3.176 2.990 1172 2HB MET 57 2HB MET 57 15.550 -1.626 2.378 1173 1HG MET 57 1HG MET 57 17.530 -2.689 2.476 1174 2HG MET 57 2HG MET 57 17.500 -1.977 4.080 1175 1HE MET 57 1HE MET 57 16.906 -6.392 3.075 1176 2HE MET 57 2HE MET 57 15.444 -5.393 3.210 1177 3HE MET 57 3HE MET 57 16.664 -5.021 1.972 1178 H GLU 58 H GLU 58 16.747 -1.574 6.230 1179 HA GLU 58 HA GLU 58 15.899 -3.655 7.947 1180 1HB GLU 58 1HB GLU 58 18.111 -2.651 8.074 1181 2HB GLU 58 2HB GLU 58 17.427 -1.078 8.507 1182 1HG GLU 58 1HG GLU 58 16.580 -2.012 10.642 1183 2HG GLU 58 2HG GLU 58 17.213 -3.600 10.185 1184 H THR 59 H THR 59 15.214 -0.128 8.063 1185 HA THR 59 HA THR 59 13.427 -0.177 10.248 1186 HB THR 59 HB THR 59 13.953 1.700 7.965 1187 HG1 THR 59 HG1 THR 59 13.865 1.988 10.767 1188 1HG2 THR 59 1HG2 THR 59 11.559 1.935 8.000 1189 2HG2 THR 59 2HG2 THR 59 11.550 2.018 9.784 1190 3HG2 THR 59 3HG2 THR 59 12.298 3.310 8.821 1191 H LEU 60 H LEU 60 12.736 -0.924 6.785 1192 HA LEU 60 HA LEU 60 9.879 -1.139 7.341 1193 1HB LEU 60 1HB LEU 60 11.190 -2.667 5.078 1194 2HB LEU 60 2HB LEU 60 9.547 -2.082 5.262 1195 HG LEU 60 HG LEU 60 11.935 -0.298 4.782 1196 1HD1 LEU 60 1HD1 LEU 60 9.665 -1.213 2.995 1197 2HD1 LEU 60 2HD1 LEU 60 10.858 0.048 2.586 1198 3HD1 LEU 60 3HD1 LEU 60 11.382 -1.621 2.844 1199 1HD2 LEU 60 1HD2 LEU 60 10.292 0.870 6.165 1200 2HD2 LEU 60 2HD2 LEU 60 10.214 1.478 4.513 1201 3HD2 LEU 60 3HD2 LEU 60 8.974 0.340 5.104 1202 H ASP 61 H ASP 61 12.547 -3.425 7.148 1203 HA ASP 61 HA ASP 61 11.210 -5.839 7.203 1204 1HB ASP 61 1HB ASP 61 13.506 -5.582 6.509 1205 2HB ASP 61 2HB ASP 61 13.980 -5.070 8.133 1206 H SER 62 H SER 62 9.532 -5.157 8.896 1207 HA SER 62 HA SER 62 9.895 -5.538 11.655 1208 1HB SER 62 1HB SER 62 7.501 -6.249 11.579 1209 2HB SER 62 2HB SER 62 7.810 -4.786 10.607 1210 HG SER 62 HG SER 62 6.634 -6.220 9.327 1211 H ASP 63 H ASP 63 10.034 -7.868 9.015 1212 HA ASP 63 HA ASP 63 9.634 -10.231 10.564 1213 1HB ASP 63 1HB ASP 63 11.381 -10.092 8.081 1214 2HB ASP 63 2HB ASP 63 10.393 -11.426 8.660 1215 H GLY 64 H GLY 64 12.326 -8.003 10.449 1216 1HA GLY 64 1HA GLY 64 14.479 -8.106 11.176 1217 2HA GLY 64 2HA GLY 64 13.903 -9.304 12.347 1218 H ASP 65 H ASP 65 13.942 -9.608 8.783 1219 HA ASP 65 HA ASP 65 15.704 -12.018 9.028 1220 1HB ASP 65 1HB ASP 65 13.309 -12.365 8.322 1221 2HB ASP 65 2HB ASP 65 13.613 -11.329 6.916 1222 H GLY 66 H GLY 66 15.960 -8.838 8.417 1223 1HA GLY 66 1HA GLY 66 17.468 -7.583 7.287 1224 2HA GLY 66 2HA GLY 66 18.135 -9.012 6.472 1225 H GLU 67 H GLU 67 16.445 -10.115 5.044 1226 HA GLU 67 HA GLU 67 15.754 -8.324 2.951 1227 1HB GLU 67 1HB GLU 67 14.660 -10.302 1.872 1228 2HB GLU 67 2HB GLU 67 16.365 -10.459 2.293 1229 1HG GLU 67 1HG GLU 67 15.734 -11.763 4.342 1230 2HG GLU 67 2HG GLU 67 14.053 -11.651 3.845 1231 H CYS 68 H CYS 68 14.017 -7.178 2.509 1232 HA CYS 68 HA CYS 68 12.029 -6.721 4.590 1233 1HB CYS 68 1HB CYS 68 13.012 -4.851 3.282 1234 2HB CYS 68 2HB CYS 68 12.412 -5.555 1.779 1235 HG CYS 68 HG CYS 68 9.917 -5.521 2.267 1236 H ASP 69 H ASP 69 9.939 -7.777 4.671 1237 HA ASP 69 HA ASP 69 9.355 -9.584 2.466 1238 1HB ASP 69 1HB ASP 69 8.985 -10.370 4.675 1239 2HB ASP 69 2HB ASP 69 7.939 -8.998 5.057 1240 H PHE 70 H PHE 70 7.364 -9.642 1.294 1241 HA PHE 70 HA PHE 70 6.702 -7.402 -0.114 1242 1HB PHE 70 1HB PHE 70 6.085 -9.715 -0.695 1243 2HB PHE 70 2HB PHE 70 4.812 -9.699 0.514 1244 HD1 PHE 70 HD1 PHE 70 2.705 -8.430 0.053 1245 HD2 PHE 70 HD2 PHE 70 6.038 -8.216 -2.628 1246 HE1 PHE 70 HE1 PHE 70 1.309 -7.220 -1.585 1247 HE2 PHE 70 HE2 PHE 70 4.696 -6.874 -4.224 1248 HZ PHE 70 HZ PHE 70 2.338 -6.334 -3.698 1249 H GLN 71 H GLN 71 5.079 -8.433 2.929 1250 HA GLN 71 HA GLN 71 3.041 -6.435 2.894 1251 1HB GLN 71 1HB GLN 71 2.821 -8.309 4.336 1252 2HB GLN 71 2HB GLN 71 4.396 -8.043 5.069 1253 1HG GLN 71 1HG GLN 71 2.755 -7.431 6.646 1254 2HG GLN 71 2HG GLN 71 3.559 -5.957 6.145 1255 1HE2 GLN 71 1HE2 GLN 71 2.333 -4.547 4.501 1256 2HE2 GLN 71 2HE2 GLN 71 0.569 -4.647 4.536 1257 H GLU 72 H GLU 72 6.391 -6.377 4.089 1258 HA GLU 72 HA GLU 72 6.256 -3.796 5.455 1259 1HB GLU 72 1HB GLU 72 8.457 -5.661 4.537 1260 2HB GLU 72 2HB GLU 72 8.773 -4.124 5.329 1261 1HG GLU 72 1HG GLU 72 8.738 -6.196 6.718 1262 2HG GLU 72 2HG GLU 72 7.825 -4.806 7.346 1263 H PHE 73 H PHE 73 7.485 -4.985 2.410 1264 HA PHE 73 HA PHE 73 8.123 -2.526 1.106 1265 1HB PHE 73 1HB PHE 73 8.736 -4.422 -0.049 1266 2HB PHE 73 2HB PHE 73 7.189 -5.214 0.173 1267 HD1 PHE 73 HD1 PHE 73 8.964 -2.636 -1.839 1268 HD2 PHE 73 HD2 PHE 73 5.402 -5.039 -1.408 1269 HE1 PHE 73 HE1 PHE 73 8.338 -2.178 -4.199 1270 HE2 PHE 73 HE2 PHE 73 4.741 -4.464 -3.722 1271 HZ PHE 73 HZ PHE 73 6.285 -3.146 -5.164 1272 H MET 74 H MET 74 4.907 -4.198 1.189 1273 HA MET 74 HA MET 74 3.462 -2.146 -0.093 1274 1HB MET 74 1HB MET 74 2.607 -4.242 1.920 1275 2HB MET 74 2HB MET 74 1.471 -3.121 1.191 1276 1HG MET 74 1HG MET 74 3.216 -4.390 -0.824 1277 2HG MET 74 2HG MET 74 2.327 -5.552 0.152 1278 1HE MET 74 1HE MET 74 1.831 -2.306 -2.158 1279 2HE MET 74 2HE MET 74 0.048 -2.316 -2.260 1280 3HE MET 74 3HE MET 74 0.840 -1.953 -0.717 1281 H ALA 75 H ALA 75 4.245 -2.526 3.356 1282 HA ALA 75 HA ALA 75 2.788 -0.246 4.258 1283 1HB ALA 75 1HB ALA 75 5.381 -1.309 5.446 1284 2HB ALA 75 2HB ALA 75 4.169 -0.291 6.236 1285 3HB ALA 75 3HB ALA 75 3.757 -1.953 5.771 1286 H PHE 76 H PHE 76 6.097 -0.515 2.919 1287 HA PHE 76 HA PHE 76 6.771 2.280 3.245 1288 1HB PHE 76 1HB PHE 76 8.549 0.811 2.905 1289 2HB PHE 76 2HB PHE 76 7.825 0.062 1.500 1290 HD1 PHE 76 HD1 PHE 76 9.836 2.967 2.648 1291 HD2 PHE 76 HD2 PHE 76 7.923 0.985 -0.691 1292 HE1 PHE 76 HE1 PHE 76 10.993 4.476 1.063 1293 HE2 PHE 76 HE2 PHE 76 9.131 2.445 -2.250 1294 HZ PHE 76 HZ PHE 76 10.595 4.265 -1.394 1295 H VAL 77 H VAL 77 5.503 0.435 0.463 1296 HA VAL 77 HA VAL 77 5.071 2.581 -1.308 1297 HB VAL 77 HB VAL 77 3.604 -0.030 -0.848 1298 1HG1 VAL 77 1HG1 VAL 77 1.959 1.430 -1.939 1299 2HG1 VAL 77 2HG1 VAL 77 3.181 1.968 -3.115 1300 3HG1 VAL 77 3HG1 VAL 77 2.599 0.291 -3.126 1301 1HG2 VAL 77 1HG2 VAL 77 4.775 -0.732 -2.888 1302 2HG2 VAL 77 2HG2 VAL 77 5.494 0.883 -3.057 1303 3HG2 VAL 77 3HG2 VAL 77 5.950 -0.160 -1.697 1304 H ALA 78 H ALA 78 3.000 1.378 1.373 1305 HA ALA 78 HA ALA 78 0.816 3.027 0.854 1306 1HB ALA 78 1HB ALA 78 0.189 2.628 3.229 1307 2HB ALA 78 2HB ALA 78 0.756 1.134 2.451 1308 3HB ALA 78 3HB ALA 78 1.807 2.029 3.570 1309 H MET 79 H MET 79 3.565 3.703 3.120 1310 HA MET 79 HA MET 79 2.510 6.316 3.730 1311 1HB MET 79 1HB MET 79 4.813 6.880 4.543 1312 2HB MET 79 2HB MET 79 3.940 5.573 5.352 1313 1HG MET 79 1HG MET 79 5.291 3.914 4.252 1314 2HG MET 79 2HG MET 79 6.175 5.153 3.328 1315 1HE MET 79 1HE MET 79 8.515 3.478 6.185 1316 2HE MET 79 2HE MET 79 7.074 2.707 5.477 1317 3HE MET 79 3HE MET 79 8.242 3.570 4.429 1318 H ILE 80 H ILE 80 4.870 5.240 1.266 1319 HA ILE 80 HA ILE 80 5.594 7.804 0.283 1320 HB ILE 80 HB ILE 80 5.249 5.105 -1.069 1321 1HG1 ILE 80 1HG1 ILE 80 6.999 5.499 0.830 1322 2HG1 ILE 80 2HG1 ILE 80 7.447 4.650 -0.649 1323 1HG2 ILE 80 1HG2 ILE 80 6.722 5.964 -2.881 1324 2HG2 ILE 80 2HG2 ILE 80 5.121 6.692 -2.868 1325 3HG2 ILE 80 3HG2 ILE 80 6.502 7.610 -2.237 1326 1HD1 ILE 80 1HD1 ILE 80 8.620 6.575 -1.497 1327 2HD1 ILE 80 2HD1 ILE 80 7.968 7.610 -0.205 1328 3HD1 ILE 80 3HD1 ILE 80 9.121 6.310 0.178 1329 H THR 81 H THR 81 3.007 5.601 -0.822 1330 HA THR 81 HA THR 81 1.940 7.319 -2.795 1331 HB THR 81 HB THR 81 0.555 5.117 -1.202 1332 HG1 THR 81 HG1 THR 81 2.355 4.321 -2.214 1333 1HG2 THR 81 1HG2 THR 81 -1.046 6.499 -2.488 1334 2HG2 THR 81 2HG2 THR 81 -0.085 6.298 -3.944 1335 3HG2 THR 81 3HG2 THR 81 -0.858 4.883 -3.219 1336 H THR 82 H THR 82 1.046 6.862 0.688 1337 HA THR 82 HA THR 82 -1.208 8.602 0.577 1338 HB THR 82 HB THR 82 0.549 7.936 2.972 1339 HG1 THR 82 HG1 THR 82 -0.286 6.086 2.080 1340 1HG2 THR 82 1HG2 THR 82 -1.527 8.402 4.253 1341 2HG2 THR 82 2HG2 THR 82 -0.957 9.858 3.418 1342 3HG2 THR 82 3HG2 THR 82 -2.332 8.938 2.765 1343 H ALA 83 H ALA 83 2.237 9.246 1.555 1344 HA ALA 83 HA ALA 83 1.932 11.999 2.089 1345 1HB ALA 83 1HB ALA 83 3.969 10.717 2.616 1346 2HB ALA 83 2HB ALA 83 4.324 10.534 0.884 1347 3HB ALA 83 3HB ALA 83 4.354 12.145 1.634 1348 H CYS 84 H CYS 84 2.661 10.327 -1.023 1349 HA CYS 84 HA CYS 84 2.732 12.671 -2.621 1350 1HB CYS 84 1HB CYS 84 3.478 10.503 -3.496 1351 2HB CYS 84 2HB CYS 84 1.809 9.887 -3.403 1352 HG CYS 84 HG CYS 84 3.090 12.363 -5.158 1353 H HIS 85 H HIS 85 -0.075 10.501 -2.016 1354 HA HIS 85 HA HIS 85 -2.037 11.849 -3.437 1355 1HB HIS 85 1HB HIS 85 -2.545 9.730 -2.484 1356 2HB HIS 85 2HB HIS 85 -2.137 10.270 -0.862 1357 HD1 HIS 85 HD1 HIS 85 -4.791 11.603 -3.420 1358 HD2 HIS 85 HD2 HIS 85 -4.142 10.667 0.636 1359 HE1 HIS 85 HE1 HIS 85 -6.966 12.076 -2.207 1360 H GLU 86 H GLU 86 -1.048 12.448 -0.037 1361 HA GLU 86 HA GLU 86 -2.839 14.542 0.515 1362 1HB GLU 86 1HB GLU 86 0.016 14.088 1.469 1363 2HB GLU 86 2HB GLU 86 -1.070 15.272 2.163 1364 1HG GLU 86 1HG GLU 86 -1.539 12.256 2.147 1365 2HG GLU 86 2HG GLU 86 -1.027 13.223 3.518 1366 H PHE 87 H PHE 87 0.354 14.737 -1.079 1367 HA PHE 87 HA PHE 87 0.259 17.605 -1.491 1368 1HB PHE 87 1HB PHE 87 2.380 17.105 -1.952 1369 2HB PHE 87 2HB PHE 87 2.034 15.399 -2.155 1370 HD1 PHE 87 HD1 PHE 87 2.460 14.401 -4.214 1371 HD2 PHE 87 HD2 PHE 87 1.640 18.634 -4.117 1372 HE1 PHE 87 HE1 PHE 87 2.948 14.560 -6.636 1373 HE2 PHE 87 HE2 PHE 87 2.183 18.794 -6.509 1374 HZ PHE 87 HZ PHE 87 2.814 16.760 -7.790 1375 H PHE 88 H PHE 88 -0.686 14.784 -3.377 1376 HA PHE 88 HA PHE 88 -1.198 16.033 -5.818 1377 1HB PHE 88 1HB PHE 88 -1.069 13.563 -5.093 1378 2HB PHE 88 2HB PHE 88 -2.809 13.690 -4.757 1379 HD1 PHE 88 HD1 PHE 88 -0.305 13.078 -7.263 1380 HD2 PHE 88 HD2 PHE 88 -4.365 14.436 -6.705 1381 HE1 PHE 88 HE1 PHE 88 -0.850 12.434 -9.599 1382 HE2 PHE 88 HE2 PHE 88 -4.867 13.889 -9.061 1383 HZ PHE 88 HZ PHE 88 -3.140 12.821 -10.496 1384 H GLU 89 H GLU 89 -3.316 15.619 -2.963 1385 HA GLU 89 HA GLU 89 -5.509 17.126 -4.217 1386 1HB GLU 89 1HB GLU 89 -5.160 16.629 -1.250 1387 2HB GLU 89 2HB GLU 89 -6.625 17.022 -2.151 1388 1HG GLU 89 1HG GLU 89 -5.134 14.408 -1.990 1389 2HG GLU 89 2HG GLU 89 -6.848 14.726 -1.739 1390 H HIS 90 H HIS 90 -3.177 17.896 -1.515 1391 HA HIS 90 HA HIS 90 -3.889 20.764 -1.805 1392 1HB HIS 90 1HB HIS 90 -1.992 19.278 0.047 1393 2HB HIS 90 2HB HIS 90 -2.224 21.029 0.036 1394 HD1 HIS 90 HD1 HIS 90 -4.032 17.851 1.151 1395 HD2 HIS 90 HD2 HIS 90 -4.566 22.024 0.927 1396 HE1 HIS 90 HE1 HIS 90 -6.134 18.397 2.487 1397 H GLU 91 H GLU 91 -3.222 20.515 -4.117 1398 HA GLU 91 HA GLU 91 -0.513 20.080 -4.809 1399 1HB GLU 91 1HB GLU 91 -2.684 19.966 -6.217 1400 2HB GLU 91 2HB GLU 91 -2.432 21.693 -6.520 1401 1HG GLU 91 1HG GLU 91 -0.489 19.401 -7.124 1402 2HG GLU 91 2HG GLU 91 -1.528 20.205 -8.305 1403 1H LYS 62 H1 LYS 62 -43.493 -18.821 11.130 1404 2H LYS 62 H2 LYS 62 -42.920 -18.728 9.580 1405 3H LYS 62 H3 LYS 62 -42.317 -17.734 10.738 1406 HA LYS 62 HA LYS 62 -41.387 -19.564 11.924 1407 1HB LYS 62 1HB LYS 62 -42.356 -21.180 9.525 1408 2HB LYS 62 2HB LYS 62 -41.299 -21.770 10.818 1409 1HG LYS 62 1HG LYS 62 -43.115 -21.346 12.484 1410 2HG LYS 62 2HG LYS 62 -44.162 -20.778 11.176 1411 1HD LYS 62 1HD LYS 62 -44.780 -23.022 11.667 1412 2HD LYS 62 2HD LYS 62 -44.014 -23.003 10.072 1413 1HE LYS 62 1HE LYS 62 -41.925 -23.912 11.042 1414 2HE LYS 62 2HE LYS 62 -42.608 -23.790 12.677 1415 1HZ LYS 62 1HZ LYS 62 -43.626 -25.484 10.506 1416 2HZ LYS 62 2HZ LYS 62 -42.745 -25.992 11.802 1417 3HZ LYS 62 3HZ LYS 62 -44.259 -25.384 12.024 1418 H ARG 63 H ARG 63 -39.299 -20.721 11.112 1419 HA ARG 63 HA ARG 63 -37.820 -18.773 9.507 1420 1HB ARG 63 1HB ARG 63 -36.879 -21.401 10.706 1421 2HB ARG 63 2HB ARG 63 -35.880 -20.072 10.108 1422 1HG ARG 63 1HG ARG 63 -37.684 -20.061 12.571 1423 2HG ARG 63 2HG ARG 63 -35.921 -20.029 12.515 1424 1HD ARG 63 1HD ARG 63 -36.039 -17.795 11.361 1425 2HD ARG 63 2HD ARG 63 -37.806 -17.818 11.593 1426 HE ARG 63 HE ARG 63 -36.484 -18.306 14.076 1427 1HH1 ARG 63 2HH2 ARG 63 -37.182 -15.700 11.794 1428 2HH1 ARG 63 1HH2 ARG 63 -37.065 -14.435 12.988 1429 1HH2 ARG 63 2HH1 ARG 63 -36.350 -16.666 15.648 1430 2HH2 ARG 63 1HH1 ARG 63 -36.599 -14.997 15.220 1431 H LEU 64 H LEU 64 -39.477 -19.322 7.728 1432 HA LEU 64 HA LEU 64 -38.975 -21.727 6.138 1433 1HB LEU 64 1HB LEU 64 -40.482 -19.180 5.442 1434 2HB LEU 64 2HB LEU 64 -40.548 -20.718 4.570 1435 HG LEU 64 HG LEU 64 -41.544 -20.199 7.409 1436 1HD1 LEU 64 1HD1 LEU 64 -42.939 -19.221 5.628 1437 2HD1 LEU 64 2HD1 LEU 64 -43.034 -20.804 4.826 1438 3HD1 LEU 64 3HD1 LEU 64 -43.761 -20.570 6.429 1439 1HD2 LEU 64 1HD2 LEU 64 -40.752 -22.510 7.306 1440 2HD2 LEU 64 2HD2 LEU 64 -42.515 -22.506 7.229 1441 3HD2 LEU 64 3HD2 LEU 64 -41.572 -22.758 5.746 1442 H ARG 65 H ARG 65 -36.608 -21.057 6.401 1443 HA ARG 65 HA ARG 65 -34.635 -20.598 5.483 1444 1HB ARG 65 1HB ARG 65 -36.007 -19.930 2.855 1445 2HB ARG 65 2HB ARG 65 -34.320 -20.349 3.131 1446 1HG ARG 65 1HG ARG 65 -36.749 -22.172 3.346 1447 2HG ARG 65 2HG ARG 65 -35.424 -22.230 2.188 1448 1HD ARG 65 1HD ARG 65 -34.805 -23.956 3.617 1449 2HD ARG 65 2HD ARG 65 -33.888 -22.620 4.282 1450 HE ARG 65 HE ARG 65 -35.183 -22.664 6.200 1451 1HH1 ARG 65 2HH2 ARG 65 -36.687 -24.747 3.773 1452 2HH1 ARG 65 1HH2 ARG 65 -37.952 -25.304 4.833 1453 1HH2 ARG 65 2HH1 ARG 65 -37.025 -23.148 7.488 1454 2HH2 ARG 65 1HH1 ARG 65 -38.062 -24.472 7.022 1455 H ARG 66 H ARG 66 -36.814 -18.187 4.072 1456 HA ARG 66 HA ARG 66 -36.894 -16.009 3.949 1457 1HB ARG 66 1HB ARG 66 -36.822 -14.750 5.991 1458 2HB ARG 66 2HB ARG 66 -37.712 -16.265 6.130 1459 1HG ARG 66 1HG ARG 66 -35.921 -17.275 7.454 1460 2HG ARG 66 2HG ARG 66 -34.870 -15.874 7.169 1461 1HD ARG 66 1HD ARG 66 -35.800 -15.688 9.367 1462 2HD ARG 66 2HD ARG 66 -36.471 -14.421 8.324 1463 HE ARG 66 HE ARG 66 -38.106 -16.839 8.425 1464 1HH1 ARG 66 1HH2 ARG 66 -37.473 -13.739 10.006 1465 2HH1 ARG 66 2HH2 ARG 66 -39.034 -13.660 10.776 1466 1HH2 ARG 66 2HH1 ARG 66 -40.117 -16.780 9.466 1467 2HH2 ARG 66 1HH1 ARG 66 -40.571 -15.404 10.444 1468 H SER 67 H SER 67 -33.706 -16.512 5.521 1469 HA SER 67 HA SER 67 -32.707 -13.966 4.820 1470 1HB SER 67 1HB SER 67 -31.208 -16.493 5.616 1471 2HB SER 67 2HB SER 67 -30.686 -14.814 5.855 1472 HG SER 67 HG SER 67 -31.663 -15.700 7.749 1473 H ALA 68 H ALA 68 -33.436 -14.410 2.399 1474 HA ALA 68 HA ALA 68 -32.087 -16.000 0.609 1475 1HB ALA 68 1HB ALA 68 -32.741 -14.366 -1.117 1476 2HB ALA 68 2HB ALA 68 -34.046 -14.617 0.061 1477 3HB ALA 68 3HB ALA 68 -33.047 -13.146 0.139 1478 H HIS 69 H HIS 69 -30.865 -13.016 2.012 1479 HA HIS 69 HA HIS 69 -28.667 -12.528 0.274 1480 1HB HIS 69 1HB HIS 69 -27.806 -11.177 2.139 1481 2HB HIS 69 2HB HIS 69 -29.515 -10.865 1.833 1482 HD1 HIS 69 HD1 HIS 69 -27.213 -12.563 4.429 1483 HD2 HIS 69 HD2 HIS 69 -31.241 -11.478 3.807 1484 HE1 HIS 69 HE1 HIS 69 -28.423 -12.918 6.643 1485 H ALA 70 H ALA 70 -29.107 -15.091 2.595 1486 HA ALA 70 HA ALA 70 -26.632 -15.513 3.700 1487 1HB ALA 70 1HB ALA 70 -28.579 -16.872 4.237 1488 2HB ALA 70 2HB ALA 70 -28.575 -17.584 2.605 1489 3HB ALA 70 3HB ALA 70 -27.242 -17.922 3.731 1490 H ARG 71 H ARG 71 -24.676 -16.027 3.014 1491 HA ARG 71 HA ARG 71 -22.926 -16.366 1.797 1492 1HB ARG 71 1HB ARG 71 -24.551 -18.325 0.177 1493 2HB ARG 71 2HB ARG 71 -22.791 -18.182 0.214 1494 1HG ARG 71 1HG ARG 71 -24.619 -19.072 2.468 1495 2HG ARG 71 2HG ARG 71 -23.349 -19.971 1.644 1496 1HD ARG 71 1HD ARG 71 -22.232 -19.480 3.560 1497 2HD ARG 71 2HD ARG 71 -21.749 -18.060 2.658 1498 HE ARG 71 HE ARG 71 -23.995 -18.298 4.651 1499 1HH1 ARG 71 2HH1 ARG 71 -21.471 -16.068 3.278 1500 2HH1 ARG 71 1HH1 ARG 71 -21.761 -14.931 4.551 1501 1HH2 ARG 71 2HH2 ARG 71 -24.326 -16.685 6.150 1502 2HH2 ARG 71 1HH2 ARG 71 -23.465 -15.169 6.031 1503 H LYS 72 H LYS 72 -25.617 -15.492 -0.351 1504 HA LYS 72 HA LYS 72 -24.053 -14.426 -2.468 1505 1HB LYS 72 1HB LYS 72 -26.707 -13.522 -1.272 1506 2HB LYS 72 2HB LYS 72 -25.928 -12.741 -2.648 1507 1HG LYS 72 1HG LYS 72 -27.514 -14.217 -3.554 1508 2HG LYS 72 2HG LYS 72 -25.917 -14.900 -3.889 1509 1HD LYS 72 1HD LYS 72 -26.250 -16.590 -2.119 1510 2HD LYS 72 2HD LYS 72 -27.714 -15.760 -1.562 1511 1HE LYS 72 1HE LYS 72 -28.294 -17.737 -2.852 1512 2HE LYS 72 2HE LYS 72 -28.842 -16.281 -3.694 1513 1HZ LYS 72 1HZ LYS 72 -26.390 -17.793 -4.300 1514 2HZ LYS 72 2HZ LYS 72 -27.792 -17.846 -5.165 1515 3HZ LYS 72 3HZ LYS 72 -26.916 -16.453 -5.104 1516 H GLU 73 H GLU 73 -24.997 -13.037 0.677 1517 HA GLU 73 HA GLU 73 -23.769 -10.581 0.661 1518 1HB GLU 73 1HB GLU 73 -23.483 -10.868 3.088 1519 2HB GLU 73 2HB GLU 73 -25.054 -11.461 2.532 1520 1HG GLU 73 1HG GLU 73 -24.129 -13.805 2.541 1521 2HG GLU 73 2HG GLU 73 -22.620 -13.174 3.210 1522 H THR 74 H THR 74 -22.042 -13.727 0.882 1523 HA THR 74 HA THR 74 -19.456 -12.300 1.204 1524 HB THR 74 HB THR 74 -18.742 -14.832 1.394 1525 HG1 THR 74 HG1 THR 74 -21.014 -15.449 0.839 1526 1HG2 THR 74 1HG2 THR 74 -18.579 -13.220 3.222 1527 2HG2 THR 74 2HG2 THR 74 -20.313 -13.370 3.556 1528 3HG2 THR 74 3HG2 THR 74 -19.230 -14.755 3.819 1529 H GLU 75 H GLU 75 -21.368 -13.167 -1.418 1530 HA GLU 75 HA GLU 75 -19.877 -14.859 -2.973 1531 1HB GLU 75 1HB GLU 75 -22.068 -14.115 -3.642 1532 2HB GLU 75 2HB GLU 75 -21.533 -12.435 -3.786 1533 1HG GLU 75 1HG GLU 75 -21.836 -13.530 -5.976 1534 2HG GLU 75 2HG GLU 75 -20.189 -12.951 -5.744 1535 H PHE 76 H PHE 76 -19.449 -11.337 -2.751 1536 HA PHE 76 HA PHE 76 -17.507 -11.080 -4.764 1537 1HB PHE 76 1HB PHE 76 -17.160 -9.242 -2.475 1538 2HB PHE 76 2HB PHE 76 -17.390 -8.900 -4.180 1539 HD1 PHE 76 HD1 PHE 76 -19.928 -9.703 -5.022 1540 HD2 PHE 76 HD2 PHE 76 -18.839 -8.518 -1.014 1541 HE1 PHE 76 HE1 PHE 76 -22.302 -9.750 -4.358 1542 HE2 PHE 76 HE2 PHE 76 -21.222 -8.464 -0.397 1543 HZ PHE 76 HZ PHE 76 -22.941 -9.168 -1.993 1544 H LEU 77 H LEU 77 -17.185 -11.920 -1.333 1545 HA LEU 77 HA LEU 77 -14.233 -11.914 -1.421 1546 1HB LEU 77 1HB LEU 77 -16.213 -12.570 0.788 1547 2HB LEU 77 2HB LEU 77 -14.457 -12.539 0.975 1548 HG LEU 77 HG LEU 77 -16.145 -10.118 0.180 1549 1HD1 LEU 77 1HD1 LEU 77 -16.637 -10.878 2.473 1550 2HD1 LEU 77 2HD1 LEU 77 -14.902 -10.867 2.858 1551 3HD1 LEU 77 3HD1 LEU 77 -15.743 -9.348 2.484 1552 1HD2 LEU 77 1HD2 LEU 77 -13.199 -10.378 0.968 1553 2HD2 LEU 77 2HD2 LEU 77 -13.826 -9.878 -0.619 1554 3HD2 LEU 77 3HD2 LEU 77 -14.073 -8.846 0.788 1555 H ARG 78 H ARG 78 -16.883 -14.180 -1.814 1556 HA ARG 78 HA ARG 78 -15.666 -16.592 -1.154 1557 1HB ARG 78 1HB ARG 78 -18.028 -16.217 -2.001 1558 2HB ARG 78 2HB ARG 78 -17.343 -16.125 -3.637 1559 1HG ARG 78 1HG ARG 78 -16.397 -18.448 -3.293 1560 2HG ARG 78 2HG ARG 78 -17.208 -18.501 -1.726 1561 1HD ARG 78 1HD ARG 78 -18.549 -19.655 -3.473 1562 2HD ARG 78 2HD ARG 78 -19.397 -18.259 -2.813 1563 HE ARG 78 HE ARG 78 -19.428 -17.288 -4.856 1564 1HH1 ARG 78 2HH2 ARG 78 -16.924 -19.776 -4.931 1565 2HH1 ARG 78 1HH2 ARG 78 -16.493 -19.500 -6.599 1566 1HH2 ARG 78 1HH1 ARG 78 -18.790 -16.811 -6.969 1567 2HH2 ARG 78 2HH1 ARG 78 -17.613 -17.798 -7.798 1568 H LEU 79 H LEU 79 -15.021 -14.493 -3.922 1569 HA LEU 79 HA LEU 79 -13.481 -16.195 -5.541 1570 1HB LEU 79 1HB LEU 79 -13.449 -13.215 -5.014 1571 2HB LEU 79 2HB LEU 79 -12.254 -13.944 -6.081 1572 HG LEU 79 HG LEU 79 -14.204 -12.965 -7.248 1573 1HD1 LEU 79 1HD1 LEU 79 -12.754 -14.666 -8.305 1574 2HD1 LEU 79 2HD1 LEU 79 -13.846 -15.951 -7.743 1575 3HD1 LEU 79 3HD1 LEU 79 -14.423 -14.733 -8.891 1576 1HD2 LEU 79 1HD2 LEU 79 -16.323 -14.175 -7.356 1577 2HD2 LEU 79 2HD2 LEU 79 -15.780 -15.341 -6.157 1578 3HD2 LEU 79 3HD2 LEU 79 -15.998 -13.630 -5.704 1579 H LYS 80 H LYS 80 -12.660 -15.085 -2.329 1580 HA LYS 80 HA LYS 80 -9.866 -15.301 -2.418 1581 1HB LYS 80 1HB LYS 80 -11.869 -16.017 -0.281 1582 2HB LYS 80 2HB LYS 80 -10.127 -16.134 -0.026 1583 1HG LYS 80 1HG LYS 80 -11.473 -13.550 -0.934 1584 2HG LYS 80 2HG LYS 80 -11.228 -13.990 0.759 1585 1HD LYS 80 1HD LYS 80 -8.760 -14.171 0.335 1586 2HD LYS 80 2HD LYS 80 -9.022 -13.595 -1.323 1587 1HE LYS 80 1HE LYS 80 -10.007 -11.493 -0.448 1588 2HE LYS 80 2HE LYS 80 -9.743 -12.059 1.212 1589 1HZ LYS 80 1HZ LYS 80 -7.634 -11.598 -0.780 1590 2HZ LYS 80 2HZ LYS 80 -8.007 -10.610 0.484 1591 3HZ LYS 80 3HZ LYS 80 -7.404 -12.115 0.766 1592 H ARG 81 H ARG 81 -12.337 -17.826 -2.655 1593 HA ARG 81 HA ARG 81 -10.809 -20.159 -2.312 1594 1HB ARG 81 1HB ARG 81 -13.303 -19.831 -2.876 1595 2HB ARG 81 2HB ARG 81 -12.823 -19.686 -4.561 1596 1HG ARG 81 1HG ARG 81 -12.580 -22.069 -2.686 1597 2HG ARG 81 2HG ARG 81 -13.622 -21.905 -4.098 1598 1HD ARG 81 1HD ARG 81 -10.620 -22.331 -4.041 1599 2HD ARG 81 2HD ARG 81 -11.876 -23.414 -4.652 1600 HE ARG 81 HE ARG 81 -11.999 -20.973 -6.124 1601 1HH1 ARG 81 2HH2 ARG 81 -9.962 -23.828 -5.713 1602 2HH1 ARG 81 1HH2 ARG 81 -9.071 -23.587 -7.195 1603 1HH2 ARG 81 1HH1 ARG 81 -10.765 -20.573 -7.996 1604 2HH2 ARG 81 2HH1 ARG 81 -9.414 -21.608 -8.409 1605 H THR 82 H THR 82 -11.174 -18.068 -5.236 1606 HA THR 82 HA THR 82 -9.149 -19.581 -6.710 1607 HB THR 82 HB THR 82 -10.672 -17.043 -7.409 1608 HG1 THR 82 HG1 THR 82 -11.965 -18.492 -8.567 1609 1HG2 THR 82 1HG2 THR 82 -8.989 -18.940 -9.118 1610 2HG2 THR 82 2HG2 THR 82 -10.037 -17.655 -9.761 1611 3HG2 THR 82 3HG2 THR 82 -8.630 -17.239 -8.770 1612 H ARG 83 H ARG 83 -9.241 -16.669 -4.707 1613 HA ARG 83 HA ARG 83 -6.675 -15.718 -5.562 1614 1HB ARG 83 1HB ARG 83 -8.454 -14.722 -3.900 1615 2HB ARG 83 2HB ARG 83 -7.590 -15.659 -2.669 1616 1HG ARG 83 1HG ARG 83 -6.386 -13.752 -2.439 1617 2HG ARG 83 2HG ARG 83 -5.498 -14.349 -3.847 1618 1HD ARG 83 1HD ARG 83 -6.130 -12.021 -4.153 1619 2HD ARG 83 2HD ARG 83 -6.990 -12.995 -5.332 1620 HE ARG 83 HE ARG 83 -8.039 -11.689 -2.838 1621 1HH1 ARG 83 2HH1 ARG 83 -8.891 -13.352 -5.898 1622 2HH1 ARG 83 1HH1 ARG 83 -10.498 -12.645 -5.898 1623 1HH2 ARG 83 1HH2 ARG 83 -10.214 -10.921 -2.905 1624 2HH2 ARG 83 2HH2 ARG 83 -11.221 -11.372 -4.274 1625 H LEU 84 H LEU 84 -7.614 -18.296 -3.220 1626 HA LEU 84 HA LEU 84 -4.804 -19.031 -2.740 1627 1HB LEU 84 1HB LEU 84 -7.474 -20.351 -2.126 1628 2HB LEU 84 2HB LEU 84 -5.936 -21.196 -1.961 1629 HG LEU 84 HG LEU 84 -5.121 -19.356 -0.449 1630 1HD1 LEU 84 1HD1 LEU 84 -6.817 -18.026 0.746 1631 2HD1 LEU 84 2HD1 LEU 84 -6.837 -17.607 -0.969 1632 3HD1 LEU 84 3HD1 LEU 84 -8.093 -18.673 -0.296 1633 1HD2 LEU 84 1HD2 LEU 84 -6.300 -20.292 1.508 1634 2HD2 LEU 84 2HD2 LEU 84 -7.513 -21.021 0.431 1635 3HD2 LEU 84 3HD2 LEU 84 -5.819 -21.559 0.367 1636 H GLY 85 H GLY 85 -7.457 -20.158 -4.844 1637 1HA GLY 85 1HA GLY 85 -5.673 -22.164 -6.129 1638 2HA GLY 85 2HA GLY 85 -7.433 -22.128 -6.096 1639 H LEU 86 H LEU 86 -4.979 -19.698 -7.001 1640 HA LEU 86 HA LEU 86 -6.149 -18.620 -9.259 1641 1HB LEU 86 1HB LEU 86 -3.162 -19.207 -8.972 1642 2HB LEU 86 2HB LEU 86 -3.931 -18.052 -10.052 1643 HG LEU 86 HG LEU 86 -4.901 -17.165 -7.631 1644 1HD1 LEU 86 1HD1 LEU 86 -2.061 -18.209 -7.160 1645 2HD1 LEU 86 2HD1 LEU 86 -2.907 -17.056 -6.117 1646 3HD1 LEU 86 3HD1 LEU 86 -3.510 -18.708 -6.273 1647 1HD2 LEU 86 1HD2 LEU 86 -3.888 -15.782 -9.394 1648 2HD2 LEU 86 2HD2 LEU 86 -3.192 -15.394 -7.813 1649 3HD2 LEU 86 3HD2 LEU 86 -2.273 -16.390 -8.962 1650 H GLU 87 H GLU 87 -3.989 -21.442 -9.106 1651 HA GLU 87 HA GLU 87 -3.495 -23.117 -10.580 1652 1HB GLU 87 1HB GLU 87 -6.525 -22.942 -10.811 1653 2HB GLU 87 2HB GLU 87 -5.561 -24.336 -11.327 1654 1HG GLU 87 1HG GLU 87 -4.765 -24.734 -9.068 1655 2HG GLU 87 2HG GLU 87 -5.515 -23.251 -8.474 1656 1H LYS 62 H1 LYS 62 29.784 26.867 15.554 1657 2H LYS 62 H2 LYS 62 29.871 28.274 14.703 1658 3H LYS 62 H3 LYS 62 31.161 27.776 15.598 1659 HA LYS 62 HA LYS 62 31.587 27.378 13.305 1660 1HB LYS 62 1HB LYS 62 31.052 24.823 14.874 1661 2HB LYS 62 2HB LYS 62 32.023 24.949 13.398 1662 1HG LYS 62 1HG LYS 62 33.546 26.553 14.566 1663 2HG LYS 62 2HG LYS 62 32.622 26.306 16.066 1664 1HD LYS 62 1HD LYS 62 33.096 23.858 15.937 1665 2HD LYS 62 2HD LYS 62 34.098 24.132 14.504 1666 1HE LYS 62 1HE LYS 62 34.591 25.313 17.285 1667 2HE LYS 62 2HE LYS 62 35.444 23.931 16.580 1668 1HZ LYS 62 1HZ LYS 62 36.241 25.377 14.850 1669 2HZ LYS 62 2HZ LYS 62 35.480 26.671 15.532 1670 3HZ LYS 62 3HZ LYS 62 36.700 25.915 16.338 1671 H ARG 63 H ARG 63 30.006 28.020 11.834 1672 HA ARG 63 HA ARG 63 27.499 26.584 11.559 1673 1HB ARG 63 1HB ARG 63 27.061 28.133 9.731 1674 2HB ARG 63 2HB ARG 63 27.550 28.949 11.216 1675 1HG ARG 63 1HG ARG 63 29.825 29.324 10.296 1676 2HG ARG 63 2HG ARG 63 29.377 28.455 8.815 1677 1HD ARG 63 1HD ARG 63 27.611 30.119 8.369 1678 2HD ARG 63 2HD ARG 63 28.048 30.988 9.863 1679 HE ARG 63 HE ARG 63 30.379 30.706 8.281 1680 1HH1 ARG 63 2HH2 ARG 63 27.283 32.394 8.201 1681 2HH1 ARG 63 1HH2 ARG 63 27.865 33.730 7.247 1682 1HH2 ARG 63 2HH1 ARG 63 31.165 32.439 7.026 1683 2HH2 ARG 63 1HH1 ARG 63 30.120 33.756 6.568 1684 H LEU 64 H LEU 64 29.403 24.652 11.331 1685 HA LEU 64 HA LEU 64 29.859 23.966 8.523 1686 1HB LEU 64 1HB LEU 64 31.382 23.124 10.235 1687 2HB LEU 64 2HB LEU 64 30.043 22.397 11.126 1688 HG LEU 64 HG LEU 64 29.629 20.815 9.254 1689 1HD1 LEU 64 1HD1 LEU 64 30.473 22.108 7.331 1690 2HD1 LEU 64 2HD1 LEU 64 32.109 22.109 8.027 1691 3HD1 LEU 64 3HD1 LEU 64 31.369 20.594 7.475 1692 1HD2 LEU 64 1HD2 LEU 64 31.106 20.206 11.132 1693 2HD2 LEU 64 2HD2 LEU 64 31.631 19.446 9.619 1694 3HD2 LEU 64 3HD2 LEU 64 32.505 20.858 10.251 1695 H ARG 65 H ARG 65 28.297 23.060 7.244 1696 HA ARG 65 HA ARG 65 25.587 22.831 8.164 1697 1HB ARG 65 1HB ARG 65 26.870 22.065 5.512 1698 2HB ARG 65 2HB ARG 65 25.131 22.161 5.835 1699 1HG ARG 65 1HG ARG 65 25.353 24.580 6.366 1700 2HG ARG 65 2HG ARG 65 27.083 24.507 5.969 1701 1HD ARG 65 1HD ARG 65 26.524 23.731 3.678 1702 2HD ARG 65 2HD ARG 65 24.791 23.810 4.080 1703 HE ARG 65 HE ARG 65 25.970 26.335 4.619 1704 1HH1 ARG 65 2HH2 ARG 65 25.158 24.266 1.878 1705 2HH1 ARG 65 1HH2 ARG 65 24.917 25.582 0.760 1706 1HH2 ARG 65 2HH1 ARG 65 25.672 28.076 3.171 1707 2HH2 ARG 65 1HH1 ARG 65 25.219 27.791 1.513 1708 H ARG 66 H ARG 66 26.466 21.181 9.847 1709 HA ARG 66 HA ARG 66 26.342 18.372 8.930 1710 1HB ARG 66 1HB ARG 66 26.825 17.829 11.250 1711 2HB ARG 66 2HB ARG 66 27.971 18.998 10.591 1712 1HG ARG 66 1HG ARG 66 26.394 20.801 11.769 1713 2HG ARG 66 2HG ARG 66 25.825 19.409 12.693 1714 1HD ARG 66 1HD ARG 66 28.150 18.925 13.377 1715 2HD ARG 66 2HD ARG 66 28.750 20.268 12.396 1716 HE ARG 66 HE ARG 66 27.536 20.388 15.015 1717 1HH1 ARG 66 1HH2 ARG 66 27.801 22.384 12.023 1718 2HH1 ARG 66 2HH2 ARG 66 28.215 23.808 12.947 1719 1HH2 ARG 66 2HH1 ARG 66 27.810 22.365 16.108 1720 2HH2 ARG 66 1HH1 ARG 66 28.038 23.843 15.205 1721 H SER 67 H SER 67 24.452 20.724 10.880 1722 HA SER 67 HA SER 67 22.402 19.351 11.874 1723 1HB SER 67 1HB SER 67 22.079 21.973 10.367 1724 2HB SER 67 2HB SER 67 21.280 21.461 11.870 1725 HG SER 67 HG SER 67 23.076 22.872 12.270 1726 H ALA 68 H ALA 68 21.002 17.916 11.027 1727 HA ALA 68 HA ALA 68 19.507 16.874 9.745 1728 1HB ALA 68 1HB ALA 68 19.404 19.297 7.906 1729 2HB ALA 68 2HB ALA 68 18.252 17.961 8.011 1730 3HB ALA 68 3HB ALA 68 18.439 19.072 9.381 1731 H HIS 69 H HIS 69 21.729 18.602 7.497 1732 HA HIS 69 HA HIS 69 21.649 16.761 5.424 1733 1HB HIS 69 1HB HIS 69 22.654 19.011 5.314 1734 2HB HIS 69 2HB HIS 69 24.004 18.459 6.312 1735 HD1 HIS 69 HD1 HIS 69 22.411 17.053 3.014 1736 HD2 HIS 69 HD2 HIS 69 26.095 18.006 4.839 1737 HE1 HIS 69 HE1 HIS 69 24.235 16.457 1.343 1738 H ALA 70 H ALA 70 23.688 16.583 8.359 1739 HA ALA 70 HA ALA 70 25.353 14.426 7.581 1740 1HB ALA 70 1HB ALA 70 25.750 15.776 9.587 1741 2HB ALA 70 2HB ALA 70 24.263 15.143 10.335 1742 3HB ALA 70 3HB ALA 70 25.631 14.058 10.007 1743 H ARG 71 H ARG 71 21.964 14.442 8.644 1744 HA ARG 71 HA ARG 71 21.823 11.505 8.881 1745 1HB ARG 71 1HB ARG 71 20.503 12.939 10.364 1746 2HB ARG 71 2HB ARG 71 19.725 13.716 8.994 1747 1HG ARG 71 1HG ARG 71 18.289 12.086 10.128 1748 2HG ARG 71 2HG ARG 71 18.501 11.738 8.418 1749 1HD ARG 71 1HD ARG 71 18.547 9.726 9.812 1750 2HD ARG 71 2HD ARG 71 20.077 9.936 8.922 1751 HE ARG 71 HE ARG 71 20.356 11.102 11.486 1752 1HH1 ARG 71 2HH2 ARG 71 19.877 7.934 9.958 1753 2HH1 ARG 71 1HH2 ARG 71 20.802 7.067 11.154 1754 1HH2 ARG 71 2HH1 ARG 71 21.551 9.956 13.074 1755 2HH2 ARG 71 1HH1 ARG 71 21.745 8.228 12.971 1756 H LYS 72 H LYS 72 22.912 11.466 6.735 1757 HA LYS 72 HA LYS 72 22.258 12.580 4.412 1758 1HB LYS 72 1HB LYS 72 23.422 9.905 5.077 1759 2HB LYS 72 2HB LYS 72 22.811 10.080 3.433 1760 1HG LYS 72 1HG LYS 72 25.117 10.679 3.387 1761 2HG LYS 72 2HG LYS 72 24.134 12.118 3.095 1762 1HD LYS 72 1HD LYS 72 24.418 12.628 5.613 1763 2HD LYS 72 2HD LYS 72 25.609 11.324 5.658 1764 1HE LYS 72 1HE LYS 72 26.768 13.416 5.411 1765 2HE LYS 72 2HE LYS 72 26.871 12.622 3.830 1766 1HZ LYS 72 1HZ LYS 72 26.237 14.980 3.740 1767 2HZ LYS 72 2HZ LYS 72 25.082 14.009 3.090 1768 3HZ LYS 72 3HZ LYS 72 24.863 14.644 4.591 1769 H GLU 73 H GLU 73 20.449 9.737 5.574 1770 HA GLU 73 HA GLU 73 18.885 9.250 3.356 1771 1HB GLU 73 1HB GLU 73 17.219 8.291 4.916 1772 2HB GLU 73 2HB GLU 73 18.889 7.823 5.268 1773 1HG GLU 73 1HG GLU 73 18.955 9.631 7.037 1774 2HG GLU 73 2HG GLU 73 17.214 9.803 6.840 1775 H THR 74 H THR 74 18.511 11.962 5.579 1776 HA THR 74 HA THR 74 16.019 12.980 4.970 1777 HB THR 74 HB THR 74 18.608 14.561 5.238 1778 HG1 THR 74 HG1 THR 74 18.524 13.465 7.040 1779 1HG2 THR 74 1HG2 THR 74 17.117 16.277 6.237 1780 2HG2 THR 74 2HG2 THR 74 16.722 15.992 4.535 1781 3HG2 THR 74 3HG2 THR 74 15.700 15.295 5.814 1782 H GLU 75 H GLU 75 18.980 13.080 2.937 1783 HA GLU 75 HA GLU 75 18.189 14.971 1.031 1784 1HB GLU 75 1HB GLU 75 19.802 12.414 0.630 1785 2HB GLU 75 2HB GLU 75 19.690 13.735 -0.530 1786 1HG GLU 75 1HG GLU 75 20.870 13.957 2.284 1787 2HG GLU 75 2HG GLU 75 21.766 13.895 0.767 1788 H PHE 76 H PHE 76 17.309 11.515 1.277 1789 HA PHE 76 HA PHE 76 15.771 11.647 -1.244 1790 1HB PHE 76 1HB PHE 76 15.796 9.322 0.659 1791 2HB PHE 76 2HB PHE 76 15.609 9.326 -1.090 1792 HD1 PHE 76 HD1 PHE 76 17.754 8.329 1.402 1793 HD2 PHE 76 HD2 PHE 76 17.871 10.600 -2.267 1794 HE1 PHE 76 HE1 PHE 76 20.227 8.059 1.286 1795 HE2 PHE 76 HE2 PHE 76 20.323 10.356 -2.337 1796 HZ PHE 76 HZ PHE 76 21.498 9.057 -0.556 1797 H LEU 77 H LEU 77 15.261 11.264 2.278 1798 HA LEU 77 HA LEU 77 12.453 10.795 2.136 1799 1HB LEU 77 1HB LEU 77 14.067 11.979 4.404 1800 2HB LEU 77 2HB LEU 77 12.450 11.295 4.556 1801 HG LEU 77 HG LEU 77 14.857 9.659 3.619 1802 1HD1 LEU 77 1HD1 LEU 77 13.666 9.877 6.410 1803 2HD1 LEU 77 2HD1 LEU 77 14.973 8.787 5.898 1804 3HD1 LEU 77 3HD1 LEU 77 15.229 10.543 5.895 1805 1HD2 LEU 77 1HD2 LEU 77 13.526 7.729 4.199 1806 2HD2 LEU 77 2HD2 LEU 77 12.184 8.759 4.726 1807 3HD2 LEU 77 3HD2 LEU 77 12.652 8.697 3.006 1808 H ARG 78 H ARG 78 14.262 13.780 1.965 1809 HA ARG 78 HA ARG 78 12.716 15.835 2.711 1810 1HB ARG 78 1HB ARG 78 14.354 15.278 0.259 1811 2HB ARG 78 2HB ARG 78 13.301 16.687 0.174 1812 1HG ARG 78 1HG ARG 78 14.338 17.781 1.984 1813 2HG ARG 78 2HG ARG 78 15.251 16.343 2.461 1814 1HD ARG 78 1HD ARG 78 16.627 17.997 1.179 1815 2HD ARG 78 2HD ARG 78 16.574 16.408 0.439 1816 HE ARG 78 HE ARG 78 15.194 18.880 -0.480 1817 1HH1 ARG 78 1HH2 ARG 78 16.070 15.469 -1.254 1818 2HH1 ARG 78 2HH2 ARG 78 15.677 15.647 -2.924 1819 1HH2 ARG 78 2HH1 ARG 78 14.618 19.021 -2.653 1820 2HH2 ARG 78 1HH1 ARG 78 14.800 17.651 -3.716 1821 H LEU 79 H LEU 79 12.154 14.048 -0.380 1822 HA LEU 79 HA LEU 79 10.022 15.718 -1.200 1823 1HB LEU 79 1HB LEU 79 9.544 14.080 -2.895 1824 2HB LEU 79 2HB LEU 79 11.273 14.343 -2.716 1825 HG LEU 79 HG LEU 79 10.948 12.181 -1.039 1826 1HD1 LEU 79 1HD1 LEU 79 9.010 11.742 -3.360 1827 2HD1 LEU 79 2HD1 LEU 79 9.479 10.558 -2.124 1828 3HD1 LEU 79 3HD1 LEU 79 8.510 11.966 -1.674 1829 1HD2 LEU 79 1HD2 LEU 79 12.632 12.445 -2.816 1830 2HD2 LEU 79 2HD2 LEU 79 11.861 10.857 -2.865 1831 3HD2 LEU 79 3HD2 LEU 79 11.394 12.103 -4.045 1832 H LYS 80 H LYS 80 9.989 12.847 0.930 1833 HA LYS 80 HA LYS 80 7.112 12.466 0.789 1834 1HB LYS 80 1HB LYS 80 8.963 11.684 3.067 1835 2HB LYS 80 2HB LYS 80 7.360 11.039 2.670 1836 1HG LYS 80 1HG LYS 80 8.407 10.285 0.427 1837 2HG LYS 80 2HG LYS 80 9.977 10.646 1.169 1838 1HD LYS 80 1HD LYS 80 7.887 8.614 2.053 1839 2HD LYS 80 2HD LYS 80 9.551 8.318 1.508 1840 1HE LYS 80 1HE LYS 80 10.341 9.585 3.570 1841 2HE LYS 80 2HE LYS 80 8.663 9.583 4.140 1842 1HZ LYS 80 1HZ LYS 80 8.677 7.206 4.055 1843 2HZ LYS 80 2HZ LYS 80 9.863 7.771 5.047 1844 3HZ LYS 80 3HZ LYS 80 10.248 7.193 3.555 1845 H ARG 81 H ARG 81 9.386 13.985 3.066 1846 HA ARG 81 HA ARG 81 7.510 14.984 4.946 1847 1HB ARG 81 1HB ARG 81 10.170 16.229 4.120 1848 2HB ARG 81 2HB ARG 81 9.288 16.544 5.613 1849 1HG ARG 81 1HG ARG 81 10.591 13.905 4.790 1850 2HG ARG 81 2HG ARG 81 11.165 15.039 6.004 1851 1HD ARG 81 1HD ARG 81 8.597 13.390 6.127 1852 2HD ARG 81 2HD ARG 81 10.049 13.102 7.058 1853 HE ARG 81 HE ARG 81 7.969 15.079 7.552 1854 1HH1 ARG 81 1HH2 ARG 81 11.372 14.336 8.136 1855 2HH1 ARG 81 2HH2 ARG 81 11.474 15.266 9.607 1856 1HH2 ARG 81 1HH1 ARG 81 8.087 16.311 9.464 1857 2HH2 ARG 81 2HH1 ARG 81 9.574 16.419 10.364 1858 H THR 82 H THR 82 8.883 16.531 2.025 1859 HA THR 82 HA THR 82 7.465 18.977 2.269 1860 HB THR 82 HB THR 82 8.375 17.588 -0.294 1861 HG1 THR 82 HG1 THR 82 10.093 17.772 1.126 1862 1HG2 THR 82 1HG2 THR 82 6.934 19.562 -0.718 1863 2HG2 THR 82 2HG2 THR 82 7.935 20.532 0.385 1864 3HG2 THR 82 3HG2 THR 82 8.623 19.908 -1.127 1865 H ARG 83 H ARG 83 6.650 15.990 0.380 1866 HA ARG 83 HA ARG 83 4.289 17.041 -0.743 1867 1HB ARG 83 1HB ARG 83 5.344 14.238 -0.239 1868 2HB ARG 83 2HB ARG 83 3.768 14.504 -0.975 1869 1HG ARG 83 1HG ARG 83 4.666 15.737 -2.809 1870 2HG ARG 83 2HG ARG 83 6.296 15.752 -2.119 1871 1HD ARG 83 1HD ARG 83 6.616 13.441 -2.472 1872 2HD ARG 83 2HD ARG 83 4.880 13.130 -2.624 1873 HE ARG 83 HE ARG 83 5.820 14.911 -4.689 1874 1HH1 ARG 83 2HH2 ARG 83 5.719 11.505 -3.741 1875 2HH1 ARG 83 1HH2 ARG 83 5.679 10.907 -5.379 1876 1HH2 ARG 83 2HH1 ARG 83 5.872 14.119 -6.845 1877 2HH2 ARG 83 1HH1 ARG 83 5.822 12.401 -7.153 1878 H LEU 84 H LEU 84 4.792 15.231 2.321 1879 HA LEU 84 HA LEU 84 1.966 15.168 2.969 1880 1HB LEU 84 1HB LEU 84 3.663 13.635 3.868 1881 2HB LEU 84 2HB LEU 84 4.485 14.955 4.688 1882 HG LEU 84 HG LEU 84 3.099 13.419 6.087 1883 1HD1 LEU 84 1HD1 LEU 84 2.139 16.284 6.377 1884 2HD1 LEU 84 2HD1 LEU 84 2.301 15.039 7.613 1885 3HD1 LEU 84 3HD1 LEU 84 3.753 15.709 6.852 1886 1HD2 LEU 84 1HD2 LEU 84 0.685 14.832 4.888 1887 2HD2 LEU 84 2HD2 LEU 84 0.690 13.611 6.171 1888 3HD2 LEU 84 3HD2 LEU 84 1.189 13.162 4.530 1889 H GLY 85 H GLY 85 4.710 17.334 3.679 1890 1HA GLY 85 1HA GLY 85 3.678 19.054 5.550 1891 2HA GLY 85 2HA GLY 85 4.866 19.489 4.311 1892 H LEU 86 H LEU 86 2.901 19.000 2.075 1893 HA LEU 86 HA LEU 86 1.847 21.633 1.920 1894 1HB LEU 86 1HB LEU 86 0.814 19.255 0.347 1895 2HB LEU 86 2HB LEU 86 0.719 20.973 -0.055 1896 HG LEU 86 HG LEU 86 3.112 19.131 -0.148 1897 1HD1 LEU 86 1HD1 LEU 86 1.572 19.400 -2.073 1898 2HD1 LEU 86 2HD1 LEU 86 1.987 21.117 -2.158 1899 3HD1 LEU 86 3HD1 LEU 86 3.241 19.887 -2.440 1900 1HD2 LEU 86 1HD2 LEU 86 4.519 21.133 -0.731 1901 2HD2 LEU 86 2HD2 LEU 86 3.188 22.193 -0.225 1902 3HD2 LEU 86 3HD2 LEU 86 4.020 21.161 0.960 1903 H GLU 87 H GLU 87 0.504 18.860 3.596 1904 HA GLU 87 HA GLU 87 -2.255 19.685 3.599 1905 1HB GLU 87 1HB GLU 87 -0.555 18.194 5.644 1906 2HB GLU 87 2HB GLU 87 -2.302 18.402 5.787 1907 1HG GLU 87 1HG GLU 87 -0.912 17.052 3.437 1908 2HG GLU 87 2HG GLU 87 -1.604 16.188 4.818 Start of MODEL 17 1 1H SER 1 1H SER 1 10.927 4.646 -12.287 2 2H SER 1 2H SER 1 9.456 5.353 -12.023 3 3H SER 1 3H SER 1 9.738 3.835 -11.478 4 HA SER 1 HA SER 1 9.393 4.778 -14.208 5 1HB SER 1 1HB SER 1 10.024 2.565 -15.058 6 2HB SER 1 2HB SER 1 11.366 3.394 -14.229 7 HG SER 1 HG SER 1 11.230 2.053 -12.563 8 H GLU 2 H GLU 2 8.674 1.519 -13.289 9 HA GLU 2 HA GLU 2 6.022 1.857 -14.304 10 1HB GLU 2 1HB GLU 2 7.245 -0.223 -14.602 11 2HB GLU 2 2HB GLU 2 7.291 -0.510 -12.861 12 1HG GLU 2 1HG GLU 2 5.584 -1.886 -13.974 13 2HG GLU 2 2HG GLU 2 4.869 -0.805 -12.777 14 H LEU 3 H LEU 3 7.150 1.133 -10.947 15 HA LEU 3 HA LEU 3 4.558 1.063 -9.811 16 1HB LEU 3 1HB LEU 3 7.009 2.022 -8.370 17 2HB LEU 3 2HB LEU 3 5.472 1.476 -7.681 18 HG LEU 3 HG LEU 3 7.477 -0.245 -9.182 19 1HD1 LEU 3 1HD1 LEU 3 6.280 -0.474 -6.403 20 2HD1 LEU 3 2HD1 LEU 3 7.544 -1.501 -7.126 21 3HD1 LEU 3 3HD1 LEU 3 7.882 0.202 -6.768 22 1HD2 LEU 3 1HD2 LEU 3 4.611 -0.884 -8.490 23 2HD2 LEU 3 2HD2 LEU 3 5.434 -1.052 -10.052 24 3HD2 LEU 3 3HD2 LEU 3 5.858 -2.134 -8.727 25 H GLU 4 H GLU 4 6.608 3.941 -10.541 26 HA GLU 4 HA GLU 4 4.970 5.862 -9.246 27 1HB GLU 4 1HB GLU 4 6.704 6.028 -11.718 28 2HB GLU 4 2HB GLU 4 5.856 7.430 -11.051 29 1HG GLU 4 1HG GLU 4 6.969 7.294 -8.953 30 2HG GLU 4 2HG GLU 4 7.631 5.714 -9.295 31 H LYS 5 H LYS 5 4.531 4.244 -12.416 32 HA LYS 5 HA LYS 5 2.385 6.004 -13.279 33 1HB LYS 5 1HB LYS 5 2.911 3.166 -14.208 34 2HB LYS 5 2HB LYS 5 1.993 4.432 -15.027 35 1HG LYS 5 1HG LYS 5 4.983 4.338 -14.527 36 2HG LYS 5 2HG LYS 5 4.161 4.196 -16.073 37 1HD LYS 5 1HD LYS 5 3.385 6.529 -15.929 38 2HD LYS 5 2HD LYS 5 4.144 6.733 -14.340 39 1HE LYS 5 1HE LYS 5 5.719 5.984 -16.833 40 2HE LYS 5 2HE LYS 5 5.482 7.647 -16.275 41 1HZ LYS 5 1HZ LYS 5 6.729 5.533 -14.655 42 2HZ LYS 5 2HZ LYS 5 7.537 6.703 -15.493 43 3HZ LYS 5 3HZ LYS 5 6.546 7.112 -14.244 44 H ALA 6 H ALA 6 2.524 2.762 -11.812 45 HA ALA 6 HA ALA 6 -0.252 2.311 -11.488 46 1HB ALA 6 1HB ALA 6 0.436 0.806 -9.635 47 2HB ALA 6 2HB ALA 6 1.450 0.592 -11.077 48 3HB ALA 6 3HB ALA 6 2.063 1.490 -9.675 49 H VAL 7 H VAL 7 2.063 3.936 -9.322 50 HA VAL 7 HA VAL 7 0.310 4.600 -7.219 51 HB VAL 7 HB VAL 7 2.933 5.678 -8.255 52 1HG1 VAL 7 1HG1 VAL 7 1.938 7.664 -7.271 53 2HG1 VAL 7 2HG1 VAL 7 1.499 6.734 -5.818 54 3HG1 VAL 7 3HG1 VAL 7 3.200 7.001 -6.222 55 1HG2 VAL 7 1HG2 VAL 7 2.805 3.448 -7.068 56 2HG2 VAL 7 2HG2 VAL 7 3.795 4.644 -6.213 57 3HG2 VAL 7 3HG2 VAL 7 2.145 4.280 -5.666 58 H VAL 8 H VAL 8 1.272 6.750 -10.057 59 HA VAL 8 HA VAL 8 -0.565 8.742 -9.110 60 HB VAL 8 HB VAL 8 -0.324 9.888 -11.197 61 1HG1 VAL 8 1HG1 VAL 8 1.372 10.132 -9.417 62 2HG1 VAL 8 2HG1 VAL 8 2.339 8.837 -10.146 63 3HG1 VAL 8 3HG1 VAL 8 2.070 10.350 -11.030 64 1HG2 VAL 8 1HG2 VAL 8 -0.242 8.034 -12.808 65 2HG2 VAL 8 2HG2 VAL 8 1.168 9.094 -12.975 66 3HG2 VAL 8 3HG2 VAL 8 1.328 7.540 -12.146 67 H ALA 9 H ALA 9 -1.004 5.972 -11.331 68 HA ALA 9 HA ALA 9 -3.634 6.621 -12.169 69 1HB ALA 9 1HB ALA 9 -2.503 3.851 -11.593 70 2HB ALA 9 2HB ALA 9 -3.938 4.241 -12.556 71 3HB ALA 9 3HB ALA 9 -2.332 4.755 -13.113 72 H LEU 10 H LEU 10 -2.580 4.728 -9.262 73 HA LEU 10 HA LEU 10 -5.171 4.355 -8.169 74 1HB LEU 10 1HB LEU 10 -2.361 4.256 -7.128 75 2HB LEU 10 2HB LEU 10 -3.606 4.597 -5.930 76 HG LEU 10 HG LEU 10 -4.883 2.605 -6.614 77 1HD1 LEU 10 1HD1 LEU 10 -2.423 1.930 -8.286 78 2HD1 LEU 10 2HD1 LEU 10 -3.816 0.872 -7.990 79 3HD1 LEU 10 3HD1 LEU 10 -4.015 2.347 -8.953 80 1HD2 LEU 10 1HD2 LEU 10 -3.350 0.979 -5.562 81 2HD2 LEU 10 2HD2 LEU 10 -1.991 2.097 -5.815 82 3HD2 LEU 10 3HD2 LEU 10 -3.318 2.536 -4.714 83 H ILE 11 H ILE 11 -2.836 7.031 -7.586 84 HA ILE 11 HA ILE 11 -4.469 8.458 -5.760 85 HB ILE 11 HB ILE 11 -2.386 9.437 -7.745 86 1HG1 ILE 11 1HG1 ILE 11 -2.310 8.938 -4.732 87 2HG1 ILE 11 2HG1 ILE 11 -1.656 7.853 -5.946 88 1HG2 ILE 11 1HG2 ILE 11 -3.782 10.953 -5.500 89 2HG2 ILE 11 2HG2 ILE 11 -2.336 11.529 -6.349 90 3HG2 ILE 11 3HG2 ILE 11 -3.826 11.326 -7.241 91 1HD1 ILE 11 1HD1 ILE 11 -0.136 9.722 -6.728 92 2HD1 ILE 11 2HD1 ILE 11 -0.649 10.633 -5.285 93 3HD1 ILE 11 3HD1 ILE 11 0.183 9.088 -5.105 94 H ASP 12 H ASP 12 -4.263 8.805 -9.342 95 HA ASP 12 HA ASP 12 -6.152 10.896 -9.537 96 1HB ASP 12 1HB ASP 12 -4.582 10.306 -11.333 97 2HB ASP 12 2HB ASP 12 -5.373 8.746 -11.556 98 H VAL 13 H VAL 13 -6.585 7.372 -10.003 99 HA VAL 13 HA VAL 13 -9.362 7.319 -10.518 100 HB VAL 13 HB VAL 13 -7.443 5.358 -9.179 101 1HG1 VAL 13 1HG1 VAL 13 -9.194 3.631 -9.530 102 2HG1 VAL 13 2HG1 VAL 13 -9.621 4.786 -8.266 103 3HG1 VAL 13 3HG1 VAL 13 -10.369 4.922 -9.874 104 1HG2 VAL 13 1HG2 VAL 13 -7.581 4.208 -11.289 105 2HG2 VAL 13 2HG2 VAL 13 -8.882 5.270 -11.872 106 3HG2 VAL 13 3HG2 VAL 13 -7.238 5.901 -11.671 107 H PHE 14 H PHE 14 -7.632 6.961 -7.374 108 HA PHE 14 HA PHE 14 -9.923 6.848 -5.757 109 1HB PHE 14 1HB PHE 14 -7.617 6.402 -4.999 110 2HB PHE 14 2HB PHE 14 -7.242 8.120 -5.092 111 HD1 PHE 14 HD1 PHE 14 -8.719 5.472 -3.089 112 HD2 PHE 14 HD2 PHE 14 -8.644 9.756 -3.608 113 HE1 PHE 14 HE1 PHE 14 -9.442 5.791 -0.737 114 HE2 PHE 14 HE2 PHE 14 -9.334 10.057 -1.273 115 HZ PHE 14 HZ PHE 14 -9.663 8.059 0.204 116 H HIS 15 H HIS 15 -8.020 9.765 -6.731 117 HA HIS 15 HA HIS 15 -9.473 11.686 -5.340 118 1HB HIS 15 1HB HIS 15 -7.355 12.095 -6.571 119 2HB HIS 15 2HB HIS 15 -8.226 11.994 -8.093 120 HD1 HIS 15 HD1 HIS 15 -8.874 14.080 -4.840 121 HD2 HIS 15 HD2 HIS 15 -8.792 14.335 -9.048 122 HE1 HIS 15 HE1 HIS 15 -9.493 16.475 -5.444 123 H GLN 16 H GLN 16 -10.032 10.427 -8.656 124 HA GLN 16 HA GLN 16 -12.169 12.094 -9.341 125 1HB GLN 16 1HB GLN 16 -11.005 10.621 -10.895 126 2HB GLN 16 2HB GLN 16 -11.720 9.185 -10.157 127 1HG GLN 16 1HG GLN 16 -13.645 11.310 -11.066 128 2HG GLN 16 2HG GLN 16 -12.737 10.492 -12.334 129 1HE2 GLN 16 1HE2 GLN 16 -13.071 8.258 -12.757 130 2HE2 GLN 16 2HE2 GLN 16 -14.431 7.391 -12.065 131 H TYR 17 H TYR 17 -12.295 8.924 -7.632 132 HA TYR 17 HA TYR 17 -15.182 9.063 -7.336 133 1HB TYR 17 1HB TYR 17 -13.064 7.214 -6.254 134 2HB TYR 17 2HB TYR 17 -14.755 7.090 -5.779 135 HD1 TYR 17 HD1 TYR 17 -12.383 6.306 -8.401 136 HD2 TYR 17 HD2 TYR 17 -16.569 6.735 -7.493 137 HE1 TYR 17 HE1 TYR 17 -12.955 5.584 -10.697 138 HE2 TYR 17 HE2 TYR 17 -17.141 5.986 -9.778 139 HH TYR 17 HH TYR 17 -16.307 5.634 -11.906 140 H SER 18 H SER 18 -12.463 9.664 -5.035 141 HA SER 18 HA SER 18 -14.096 10.082 -2.730 142 1HB SER 18 1HB SER 18 -12.189 11.246 -1.832 143 2HB SER 18 2HB SER 18 -11.734 9.678 -2.530 144 HG SER 18 HG SER 18 -10.534 11.837 -2.979 145 H GLY 19 H GLY 19 -13.216 12.227 -5.473 146 1HA GLY 19 1HA GLY 19 -13.897 14.671 -4.175 147 2HA GLY 19 2HA GLY 19 -13.803 14.375 -5.927 148 H ARG 20 H ARG 20 -15.823 12.058 -5.565 149 HA ARG 20 HA ARG 20 -18.156 13.692 -6.157 150 1HB ARG 20 1HB ARG 20 -18.173 10.689 -5.809 151 2HB ARG 20 2HB ARG 20 -19.226 11.720 -6.784 152 1HG ARG 20 1HG ARG 20 -17.014 12.316 -8.097 153 2HG ARG 20 2HG ARG 20 -16.317 11.007 -7.206 154 1HD ARG 20 1HD ARG 20 -17.059 10.399 -9.509 155 2HD ARG 20 2HD ARG 20 -17.478 9.308 -8.212 156 HE ARG 20 HE ARG 20 -19.291 11.129 -9.720 157 1HH1 ARG 20 1HH2 ARG 20 -19.033 8.657 -7.157 158 2HH1 ARG 20 2HH2 ARG 20 -20.639 8.064 -7.392 159 1HH2 ARG 20 1HH1 ARG 20 -21.444 10.439 -9.911 160 2HH2 ARG 20 2HH1 ARG 20 -22.065 9.165 -8.896 161 H GLU 21 H GLU 21 -17.248 11.295 -3.632 162 HA GLU 21 HA GLU 21 -18.799 12.832 -1.668 163 1HB GLU 21 1HB GLU 21 -19.409 9.886 -2.074 164 2HB GLU 21 2HB GLU 21 -19.970 10.909 -0.752 165 1HG GLU 21 1HG GLU 21 -21.116 12.379 -2.461 166 2HG GLU 21 2HG GLU 21 -20.701 11.175 -3.698 167 H GLY 22 H GLY 22 -17.019 13.345 -0.514 168 1HA GLY 22 1HA GLY 22 -16.441 11.945 1.681 169 2HA GLY 22 2HA GLY 22 -15.216 11.316 0.562 170 H ASP 23 H ASP 23 -14.476 12.788 2.827 171 HA ASP 23 HA ASP 23 -14.042 15.589 2.129 172 1HB ASP 23 1HB ASP 23 -14.403 14.817 4.458 173 2HB ASP 23 2HB ASP 23 -12.902 13.881 4.368 174 H LYS 24 H LYS 24 -13.166 14.630 0.005 175 HA LYS 24 HA LYS 24 -11.543 14.644 -1.519 176 1HB LYS 24 1HB LYS 24 -9.738 15.855 0.631 177 2HB LYS 24 2HB LYS 24 -9.490 15.872 -1.117 178 1HG LYS 24 1HG LYS 24 -11.550 17.191 -1.422 179 2HG LYS 24 2HG LYS 24 -11.803 17.223 0.338 180 1HD LYS 24 1HD LYS 24 -9.604 18.315 0.658 181 2HD LYS 24 2HD LYS 24 -9.329 18.320 -1.088 182 1HE LYS 24 1HE LYS 24 -11.619 19.756 0.346 183 2HE LYS 24 2HE LYS 24 -10.123 20.515 -0.223 184 1HZ LYS 24 1HZ LYS 24 -11.868 20.822 -1.785 185 2HZ LYS 24 2HZ LYS 24 -10.705 19.859 -2.449 186 3HZ LYS 24 3HZ LYS 24 -12.121 19.201 -1.923 187 H HIS 25 H HIS 25 -9.897 13.749 1.524 188 HA HIS 25 HA HIS 25 -8.200 11.763 0.177 189 1HB HIS 25 1HB HIS 25 -8.471 12.440 3.129 190 2HB HIS 25 2HB HIS 25 -7.145 11.573 2.349 191 HD1 HIS 25 HD1 HIS 25 -6.100 13.342 0.176 192 HD2 HIS 25 HD2 HIS 25 -7.818 14.876 3.701 193 HE1 HIS 25 HE1 HIS 25 -5.226 15.739 0.451 194 H LYS 26 H LYS 26 -11.338 11.367 0.658 195 HA LYS 26 HA LYS 26 -11.110 8.721 1.939 196 1HB LYS 26 1HB LYS 26 -13.221 10.723 2.762 197 2HB LYS 26 2HB LYS 26 -12.822 9.175 3.528 198 1HG LYS 26 1HG LYS 26 -10.572 10.180 4.178 199 2HG LYS 26 2HG LYS 26 -11.138 11.722 3.506 200 1HD LYS 26 1HD LYS 26 -13.069 11.661 5.104 201 2HD LYS 26 2HD LYS 26 -12.349 10.237 5.869 202 1HE LYS 26 1HE LYS 26 -10.362 11.505 6.490 203 2HE LYS 26 2HE LYS 26 -10.872 12.898 5.516 204 1HZ LYS 26 1HZ LYS 26 -11.318 13.218 7.820 205 2HZ LYS 26 2HZ LYS 26 -12.721 13.198 6.958 206 3HZ LYS 26 3HZ LYS 26 -12.295 11.892 7.869 207 H LEU 27 H LEU 27 -12.614 7.234 1.201 208 HA LEU 27 HA LEU 27 -14.437 8.082 -1.044 209 1HB LEU 27 1HB LEU 27 -13.340 5.396 -0.125 210 2HB LEU 27 2HB LEU 27 -14.571 5.564 -1.374 211 HG LEU 27 HG LEU 27 -11.864 6.892 -1.648 212 1HD1 LEU 27 1HD1 LEU 27 -12.756 4.099 -2.485 213 2HD1 LEU 27 2HD1 LEU 27 -11.216 4.853 -2.956 214 3HD1 LEU 27 3HD1 LEU 27 -11.529 4.462 -1.253 215 1HD2 LEU 27 1HD2 LEU 27 -13.717 7.580 -3.217 216 2HD2 LEU 27 2HD2 LEU 27 -12.349 6.791 -4.028 217 3HD2 LEU 27 3HD2 LEU 27 -13.845 5.883 -3.740 218 H LYS 28 H LYS 28 -16.589 8.383 -0.341 219 HA LYS 28 HA LYS 28 -17.570 7.179 2.089 220 1HB LYS 28 1HB LYS 28 -18.478 9.210 0.661 221 2HB LYS 28 2HB LYS 28 -19.346 7.962 -0.225 222 1HG LYS 28 1HG LYS 28 -20.933 8.124 1.370 223 2HG LYS 28 2HG LYS 28 -19.807 7.353 2.501 224 1HD LYS 28 1HD LYS 28 -18.797 9.715 2.859 225 2HD LYS 28 2HD LYS 28 -20.266 10.331 2.095 226 1HE LYS 28 1HE LYS 28 -21.632 9.268 3.866 227 2HE LYS 28 2HE LYS 28 -20.183 8.501 4.549 228 1HZ LYS 28 1HZ LYS 28 -19.292 10.677 4.970 229 2HZ LYS 28 2HZ LYS 28 -20.677 11.384 4.419 230 3HZ LYS 28 3HZ LYS 28 -20.715 10.431 5.766 231 H LYS 29 H LYS 29 -19.272 5.446 2.183 232 HA LYS 29 HA LYS 29 -18.420 3.070 1.089 233 1HB LYS 29 1HB LYS 29 -20.614 2.121 1.727 234 2HB LYS 29 2HB LYS 29 -19.863 3.060 2.984 235 1HG LYS 29 1HG LYS 29 -21.432 5.038 2.078 236 2HG LYS 29 2HG LYS 29 -22.272 3.704 1.273 237 1HD LYS 29 1HD LYS 29 -23.421 3.950 3.306 238 2HD LYS 29 2HD LYS 29 -22.355 2.570 3.596 239 1HE LYS 29 1HE LYS 29 -20.718 4.154 4.730 240 2HE LYS 29 2HE LYS 29 -21.868 5.473 4.456 241 1HZ LYS 29 1HZ LYS 29 -23.451 4.231 5.788 242 2HZ LYS 29 2HZ LYS 29 -22.314 3.062 6.064 243 3HZ LYS 29 3HZ LYS 29 -22.078 4.589 6.630 244 H SER 30 H SER 30 -20.809 5.263 -0.410 245 HA SER 30 HA SER 30 -21.677 3.620 -2.549 246 1HB SER 30 1HB SER 30 -21.810 6.063 -3.585 247 2HB SER 30 2HB SER 30 -22.823 5.663 -2.182 248 HG SER 30 HG SER 30 -21.503 7.658 -2.039 249 H GLU 31 H GLU 31 -18.904 5.850 -2.132 250 HA GLU 31 HA GLU 31 -18.024 5.672 -4.882 251 1HB GLU 31 1HB GLU 31 -16.474 6.628 -2.435 252 2HB GLU 31 2HB GLU 31 -16.128 6.973 -4.128 253 1HG GLU 31 1HG GLU 31 -18.510 7.912 -2.511 254 2HG GLU 31 2HG GLU 31 -17.196 8.900 -3.165 255 H LEU 32 H LEU 32 -16.930 4.359 -1.805 256 HA LEU 32 HA LEU 32 -14.700 2.874 -2.622 257 1HB LEU 32 1HB LEU 32 -15.363 3.462 -0.314 258 2HB LEU 32 2HB LEU 32 -16.760 2.382 -0.409 259 HG LEU 32 HG LEU 32 -14.785 1.638 0.947 260 1HD1 LEU 32 1HD1 LEU 32 -16.533 0.073 0.263 261 2HD1 LEU 32 2HD1 LEU 32 -15.638 -0.312 -1.220 262 3HD1 LEU 32 3HD1 LEU 32 -14.943 -0.694 0.363 263 1HD2 LEU 32 1HD2 LEU 32 -12.855 0.656 -0.150 264 2HD2 LEU 32 2HD2 LEU 32 -13.472 1.140 -1.744 265 3HD2 LEU 32 3HD2 LEU 32 -12.999 2.373 -0.557 266 H LYS 33 H LYS 33 -18.134 1.874 -2.256 267 HA LYS 33 HA LYS 33 -17.920 -0.752 -3.222 268 1HB LYS 33 1HB LYS 33 -19.858 0.065 -2.115 269 2HB LYS 33 2HB LYS 33 -20.139 1.319 -3.310 270 1HG LYS 33 1HG LYS 33 -20.625 -0.539 -5.011 271 2HG LYS 33 2HG LYS 33 -20.530 -1.682 -3.663 272 1HD LYS 33 1HD LYS 33 -22.305 -0.197 -2.494 273 2HD LYS 33 2HD LYS 33 -22.401 0.705 -4.007 274 1HE LYS 33 1HE LYS 33 -24.207 -0.796 -4.100 275 2HE LYS 33 2HE LYS 33 -22.993 -1.540 -5.152 276 1HZ LYS 33 1HZ LYS 33 -22.461 -3.036 -3.360 277 2HZ LYS 33 2HZ LYS 33 -23.461 -2.234 -2.328 278 3HZ LYS 33 3HZ LYS 33 -24.086 -3.064 -3.596 279 H GLU 34 H GLU 34 -18.886 2.217 -5.148 280 HA GLU 34 HA GLU 34 -19.181 0.558 -7.441 281 1HB GLU 34 1HB GLU 34 -19.501 2.580 -8.745 282 2HB GLU 34 2HB GLU 34 -20.370 2.682 -7.205 283 1HG GLU 34 1HG GLU 34 -18.433 4.050 -6.316 284 2HG GLU 34 2HG GLU 34 -17.771 4.096 -7.951 285 H LEU 35 H LEU 35 -16.494 2.610 -6.351 286 HA LEU 35 HA LEU 35 -14.788 2.356 -8.585 287 1HB LEU 35 1HB LEU 35 -14.334 3.939 -6.858 288 2HB LEU 35 2HB LEU 35 -14.362 2.690 -5.609 289 HG LEU 35 HG LEU 35 -12.250 1.787 -6.311 290 1HD1 LEU 35 1HD1 LEU 35 -12.251 3.821 -8.587 291 2HD1 LEU 35 2HD1 LEU 35 -10.931 2.718 -8.162 292 3HD1 LEU 35 3HD1 LEU 35 -12.439 2.078 -8.800 293 1HD2 LEU 35 1HD2 LEU 35 -12.093 4.818 -6.264 294 2HD2 LEU 35 2HD2 LEU 35 -12.213 3.746 -4.852 295 3HD2 LEU 35 3HD2 LEU 35 -10.775 3.684 -5.891 296 H ILE 36 H ILE 36 -14.903 0.311 -5.552 297 HA ILE 36 HA ILE 36 -12.886 -1.452 -6.568 298 HB ILE 36 HB ILE 36 -14.922 -1.785 -4.337 299 1HG1 ILE 36 1HG1 ILE 36 -11.909 -1.195 -4.443 300 2HG1 ILE 36 2HG1 ILE 36 -13.164 -0.019 -4.052 301 1HG2 ILE 36 1HG2 ILE 36 -13.655 -3.746 -3.618 302 2HG2 ILE 36 2HG2 ILE 36 -14.173 -4.036 -5.268 303 3HG2 ILE 36 3HG2 ILE 36 -12.507 -3.515 -4.955 304 1HD1 ILE 36 1HD1 ILE 36 -12.086 -0.768 -2.021 305 2HD1 ILE 36 2HD1 ILE 36 -13.759 -1.376 -2.034 306 3HD1 ILE 36 3HD1 ILE 36 -12.402 -2.457 -2.389 307 H ASN 37 H ASN 37 -16.449 -1.691 -6.568 308 HA ASN 37 HA ASN 37 -16.792 -4.252 -7.659 309 1HB ASN 37 1HB ASN 37 -18.364 -1.671 -7.977 310 2HB ASN 37 2HB ASN 37 -18.768 -3.087 -8.960 311 1HD2 ASN 37 2HD2 ASN 37 -18.263 -2.201 -5.517 312 2HD2 ASN 37 1HD2 ASN 37 -19.566 -3.246 -4.948 313 H ASN 38 H ASN 38 -16.255 -1.155 -9.457 314 HA ASN 38 HA ASN 38 -16.296 -2.588 -11.998 315 1HB ASN 38 1HB ASN 38 -15.685 0.280 -11.156 316 2HB ASN 38 2HB ASN 38 -15.486 -0.311 -12.815 317 1HD2 ASN 38 1HD2 ASN 38 -17.873 0.335 -10.266 318 2HD2 ASN 38 2HD2 ASN 38 -19.262 0.296 -11.352 319 H GLU 39 H GLU 39 -13.696 -0.835 -10.152 320 HA GLU 39 HA GLU 39 -11.830 -1.663 -12.210 321 1HB GLU 39 1HB GLU 39 -11.389 0.013 -9.725 322 2HB GLU 39 2HB GLU 39 -10.219 -0.289 -11.025 323 1HG GLU 39 1HG GLU 39 -11.926 0.637 -12.675 324 2HG GLU 39 2HG GLU 39 -12.909 1.132 -11.287 325 H LEU 40 H LEU 40 -12.726 -3.167 -9.244 326 HA LEU 40 HA LEU 40 -10.240 -4.823 -9.367 327 1HB LEU 40 1HB LEU 40 -10.902 -3.511 -7.229 328 2HB LEU 40 2HB LEU 40 -12.204 -4.696 -7.086 329 HG LEU 40 HG LEU 40 -10.480 -6.525 -6.960 330 1HD1 LEU 40 1HD1 LEU 40 -8.540 -5.477 -8.096 331 2HD1 LEU 40 2HD1 LEU 40 -8.527 -4.177 -6.878 332 3HD1 LEU 40 3HD1 LEU 40 -8.142 -5.844 -6.413 333 1HD2 LEU 40 1HD2 LEU 40 -11.460 -5.493 -4.978 334 2HD2 LEU 40 2HD2 LEU 40 -9.796 -5.993 -4.685 335 3HD2 LEU 40 3HD2 LEU 40 -10.166 -4.276 -4.962 336 H SER 41 H SER 41 -13.187 -4.798 -10.716 337 HA SER 41 HA SER 41 -14.791 -6.844 -10.053 338 1HB SER 41 1HB SER 41 -15.172 -7.109 -12.569 339 2HB SER 41 2HB SER 41 -15.349 -5.474 -11.939 340 HG SER 41 HG SER 41 -13.564 -4.844 -12.895 341 H HIS 42 H HIS 42 -11.783 -7.203 -11.898 342 HA HIS 42 HA HIS 42 -12.227 -9.908 -12.712 343 1HB HIS 42 1HB HIS 42 -9.631 -8.342 -12.483 344 2HB HIS 42 2HB HIS 42 -9.850 -9.866 -13.337 345 HD1 HIS 42 HD1 HIS 42 -12.412 -6.963 -13.802 346 HD2 HIS 42 HD2 HIS 42 -9.117 -8.827 -15.669 347 HE1 HIS 42 HE1 HIS 42 -12.281 -6.035 -16.152 348 H PHE 43 H PHE 43 -10.911 -8.534 -9.724 349 HA PHE 43 HA PHE 43 -9.889 -11.221 -8.845 350 1HB PHE 43 1HB PHE 43 -9.443 -8.379 -7.879 351 2HB PHE 43 2HB PHE 43 -9.212 -9.774 -6.834 352 HD1 PHE 43 HD1 PHE 43 -6.932 -9.258 -6.361 353 HD2 PHE 43 HD2 PHE 43 -8.203 -9.922 -10.437 354 HE1 PHE 43 HE1 PHE 43 -4.578 -9.325 -7.080 355 HE2 PHE 43 HE2 PHE 43 -5.844 -10.003 -11.150 356 HZ PHE 43 HZ PHE 43 -4.021 -9.668 -9.500 357 H LEU 44 H LEU 44 -12.056 -8.490 -7.997 358 HA LEU 44 HA LEU 44 -13.260 -10.136 -5.837 359 1HB LEU 44 1HB LEU 44 -11.810 -8.068 -5.413 360 2HB LEU 44 2HB LEU 44 -13.162 -7.106 -6.013 361 HG LEU 44 HG LEU 44 -13.346 -9.136 -3.727 362 1HD1 LEU 44 1HD1 LEU 44 -11.718 -7.295 -3.263 363 2HD1 LEU 44 2HD1 LEU 44 -13.043 -6.131 -3.525 364 3HD1 LEU 44 3HD1 LEU 44 -13.126 -7.288 -2.180 365 1HD2 LEU 44 1HD2 LEU 44 -15.188 -6.950 -4.716 366 2HD2 LEU 44 2HD2 LEU 44 -15.509 -8.689 -4.575 367 3HD2 LEU 44 3HD2 LEU 44 -15.330 -7.717 -3.107 368 H GLU 45 H GLU 45 -15.258 -10.774 -6.190 369 HA GLU 45 HA GLU 45 -16.699 -10.062 -8.546 370 1HB GLU 45 1HB GLU 45 -17.686 -11.568 -6.084 371 2HB GLU 45 2HB GLU 45 -18.427 -11.566 -7.683 372 1HG GLU 45 1HG GLU 45 -16.359 -12.601 -8.636 373 2HG GLU 45 2HG GLU 45 -15.646 -12.664 -7.018 374 H GLU 46 H GLU 46 -18.786 -9.105 -8.721 375 HA GLU 46 HA GLU 46 -19.053 -6.582 -7.751 376 1HB GLU 46 1HB GLU 46 -20.314 -7.610 -9.680 377 2HB GLU 46 2HB GLU 46 -21.303 -8.516 -8.521 378 1HG GLU 46 1HG GLU 46 -22.095 -6.265 -7.599 379 2HG GLU 46 2HG GLU 46 -21.245 -5.505 -8.955 380 H ILE 47 H ILE 47 -19.488 -5.679 -5.875 381 HA ILE 47 HA ILE 47 -20.187 -7.437 -3.613 382 HB ILE 47 HB ILE 47 -19.346 -4.560 -3.313 383 1HG1 ILE 47 1HG1 ILE 47 -17.392 -6.847 -3.646 384 2HG1 ILE 47 2HG1 ILE 47 -17.710 -5.666 -4.935 385 1HG2 ILE 47 1HG2 ILE 47 -20.122 -6.034 -1.369 386 2HG2 ILE 47 2HG2 ILE 47 -18.740 -7.090 -1.693 387 3HG2 ILE 47 3HG2 ILE 47 -18.475 -5.418 -1.184 388 1HD1 ILE 47 1HD1 ILE 47 -16.537 -4.957 -2.256 389 2HD1 ILE 47 2HD1 ILE 47 -15.786 -4.940 -3.864 390 3HD1 ILE 47 3HD1 ILE 47 -17.092 -3.807 -3.509 391 H LYS 48 H LYS 48 -22.328 -7.355 -4.950 392 HA LYS 48 HA LYS 48 -23.953 -5.128 -5.114 393 1HB LYS 48 1HB LYS 48 -25.849 -6.690 -5.318 394 2HB LYS 48 2HB LYS 48 -24.442 -7.158 -6.279 395 1HG LYS 48 1HG LYS 48 -23.816 -8.828 -4.510 396 2HG LYS 48 2HG LYS 48 -25.308 -8.412 -3.633 397 1HD LYS 48 1HD LYS 48 -26.636 -9.042 -5.643 398 2HD LYS 48 2HD LYS 48 -25.148 -9.524 -6.472 399 1HE LYS 48 1HE LYS 48 -26.235 -10.745 -3.882 400 2HE LYS 48 2HE LYS 48 -26.352 -11.462 -5.496 401 1HZ LYS 48 1HZ LYS 48 -23.862 -10.922 -4.040 402 2HZ LYS 48 2HZ LYS 48 -24.548 -12.395 -4.301 403 3HZ LYS 48 3HZ LYS 48 -23.956 -11.528 -5.570 404 H GLU 49 H GLU 49 -23.558 -7.226 -2.312 405 HA GLU 49 HA GLU 49 -25.789 -6.199 -0.822 406 1HB GLU 49 1HB GLU 49 -24.761 -8.466 -0.563 407 2HB GLU 49 2HB GLU 49 -23.315 -7.710 0.114 408 1HG GLU 49 1HG GLU 49 -24.683 -8.557 1.904 409 2HG GLU 49 2HG GLU 49 -24.707 -6.795 1.989 410 H GLN 50 H GLN 50 -25.522 -3.925 -0.924 411 HA GLN 50 HA GLN 50 -23.633 -2.165 -0.220 412 1HB GLN 50 1HB GLN 50 -26.055 -1.738 -0.649 413 2HB GLN 50 2HB GLN 50 -26.384 -2.048 1.052 414 1HG GLN 50 1HG GLN 50 -24.527 0.113 -0.092 415 2HG GLN 50 2HG GLN 50 -26.179 0.372 0.465 416 1HE2 GLN 50 1HE2 GLN 50 -26.344 -0.921 2.952 417 2HE2 GLN 50 2HE2 GLN 50 -25.148 -0.189 3.998 418 H GLU 51 H GLU 51 -25.461 -4.029 2.249 419 HA GLU 51 HA GLU 51 -24.275 -2.868 4.516 420 1HB GLU 51 1HB GLU 51 -25.477 -5.626 4.051 421 2HB GLU 51 2HB GLU 51 -24.943 -5.059 5.633 422 1HG GLU 51 1HG GLU 51 -27.379 -4.718 5.313 423 2HG GLU 51 2HG GLU 51 -26.509 -3.211 5.624 424 H VAL 52 H VAL 52 -23.017 -5.462 2.409 425 HA VAL 52 HA VAL 52 -20.862 -6.109 4.276 426 HB VAL 52 HB VAL 52 -21.351 -6.945 1.399 427 1HG1 VAL 52 1HG1 VAL 52 -18.949 -6.904 1.725 428 2HG1 VAL 52 2HG1 VAL 52 -19.109 -7.606 3.351 429 3HG1 VAL 52 3HG1 VAL 52 -19.474 -8.578 1.916 430 1HG2 VAL 52 1HG2 VAL 52 -21.423 -8.468 4.055 431 2HG2 VAL 52 2HG2 VAL 52 -22.859 -7.908 3.191 432 3HG2 VAL 52 3HG2 VAL 52 -21.808 -9.127 2.453 433 H VAL 53 H VAL 53 -21.317 -3.954 1.402 434 HA VAL 53 HA VAL 53 -18.578 -3.267 1.192 435 HB VAL 53 HB VAL 53 -19.067 -1.738 -0.260 436 1HG1 VAL 53 1HG1 VAL 53 -21.724 -3.160 -0.293 437 2HG1 VAL 53 2HG1 VAL 53 -21.028 -2.211 -1.594 438 3HG1 VAL 53 3HG1 VAL 53 -20.210 -3.676 -1.042 439 1HG2 VAL 53 1HG2 VAL 53 -19.896 0.044 0.997 440 2HG2 VAL 53 2HG2 VAL 53 -21.016 -0.175 -0.345 441 3HG2 VAL 53 3HG2 VAL 53 -21.479 -0.700 1.245 442 H ASP 54 H ASP 54 -21.254 -1.792 3.038 443 HA ASP 54 HA ASP 54 -19.805 0.115 4.489 444 1HB ASP 54 1HB ASP 54 -22.250 -0.006 4.492 445 2HB ASP 54 2HB ASP 54 -22.204 -1.529 5.394 446 H LYS 55 H LYS 55 -20.380 -3.370 5.350 447 HA LYS 55 HA LYS 55 -18.992 -3.260 7.793 448 1HB LYS 55 1HB LYS 55 -20.502 -5.081 6.992 449 2HB LYS 55 2HB LYS 55 -19.191 -5.671 5.953 450 1HG LYS 55 1HG LYS 55 -17.773 -6.036 7.964 451 2HG LYS 55 2HG LYS 55 -19.065 -5.382 8.990 452 1HD LYS 55 1HD LYS 55 -20.582 -7.206 8.251 453 2HD LYS 55 2HD LYS 55 -19.296 -7.862 7.219 454 1HE LYS 55 1HE LYS 55 -17.872 -8.245 9.210 455 2HE LYS 55 2HE LYS 55 -19.130 -7.557 10.256 456 1HZ LYS 55 1HZ LYS 55 -19.197 -9.933 10.226 457 2HZ LYS 55 2HZ LYS 55 -20.578 -9.324 9.565 458 3HZ LYS 55 3HZ LYS 55 -19.410 -9.962 8.591 459 H VAL 56 H VAL 56 -17.683 -4.192 4.534 460 HA VAL 56 HA VAL 56 -15.062 -4.691 5.592 461 HB VAL 56 HB VAL 56 -14.227 -4.834 3.381 462 1HG1 VAL 56 1HG1 VAL 56 -15.506 -6.752 4.267 463 2HG1 VAL 56 2HG1 VAL 56 -16.985 -6.131 3.516 464 3HG1 VAL 56 3HG1 VAL 56 -15.631 -6.634 2.502 465 1HG2 VAL 56 1HG2 VAL 56 -15.342 -2.941 2.275 466 2HG2 VAL 56 2HG2 VAL 56 -15.583 -4.446 1.375 467 3HG2 VAL 56 3HG2 VAL 56 -16.884 -3.811 2.390 468 H MET 57 H MET 57 -16.649 -1.734 4.354 469 HA MET 57 HA MET 57 -14.277 -0.105 4.528 470 1HB MET 57 1HB MET 57 -15.831 1.057 3.473 471 2HB MET 57 2HB MET 57 -17.207 0.295 4.267 472 1HG MET 57 1HG MET 57 -17.095 1.714 6.174 473 2HG MET 57 2HG MET 57 -15.592 2.457 5.626 474 1HE MET 57 1HE MET 57 -16.459 2.794 2.357 475 2HE MET 57 2HE MET 57 -16.766 4.516 2.557 476 3HE MET 57 3HE MET 57 -15.393 3.769 3.395 477 H GLU 58 H GLU 58 -16.896 -0.770 6.851 478 HA GLU 58 HA GLU 58 -16.101 0.875 8.916 479 1HB GLU 58 1HB GLU 58 -18.262 -0.252 8.841 480 2HB GLU 58 2HB GLU 58 -17.497 -1.833 9.067 481 1HG GLU 58 1HG GLU 58 -16.753 -1.203 11.321 482 2HG GLU 58 2HG GLU 58 -17.378 0.435 11.081 483 H THR 59 H THR 59 -15.220 -2.580 8.472 484 HA THR 59 HA THR 59 -13.657 -2.723 10.813 485 HB THR 59 HB THR 59 -14.423 -4.681 9.511 486 HG1 THR 59 HG1 THR 59 -11.741 -4.410 10.330 487 1HG2 THR 59 1HG2 THR 59 -13.129 -5.590 7.691 488 2HG2 THR 59 2HG2 THR 59 -13.657 -3.963 7.251 489 3HG2 THR 59 3HG2 THR 59 -11.979 -4.251 7.741 490 H LEU 60 H LEU 60 -12.812 -1.148 7.786 491 HA LEU 60 HA LEU 60 -9.954 -0.924 8.665 492 1HB LEU 60 1HB LEU 60 -11.114 -0.207 5.962 493 2HB LEU 60 2HB LEU 60 -9.417 -0.357 6.436 494 HG LEU 60 HG LEU 60 -11.437 -2.621 6.201 495 1HD1 LEU 60 1HD1 LEU 60 -8.918 -1.977 4.636 496 2HD1 LEU 60 2HD1 LEU 60 -10.004 -3.365 4.370 497 3HD1 LEU 60 3HD1 LEU 60 -10.590 -1.717 4.075 498 1HD2 LEU 60 1HD2 LEU 60 -8.503 -2.741 7.028 499 2HD2 LEU 60 2HD2 LEU 60 -9.894 -3.112 8.074 500 3HD2 LEU 60 3HD2 LEU 60 -9.554 -4.136 6.686 501 H ASP 61 H ASP 61 -12.917 0.826 8.546 502 HA ASP 61 HA ASP 61 -11.852 3.352 7.833 503 1HB ASP 61 1HB ASP 61 -14.229 2.739 7.592 504 2HB ASP 61 2HB ASP 61 -14.414 2.755 9.353 505 H SER 62 H SER 62 -9.943 3.271 9.229 506 HA SER 62 HA SER 62 -9.658 3.735 11.916 507 1HB SER 62 1HB SER 62 -7.752 5.244 11.173 508 2HB SER 62 2HB SER 62 -7.807 3.664 10.361 509 HG SER 62 HG SER 62 -7.543 5.136 8.769 510 H ASP 63 H ASP 63 -10.706 6.062 9.476 511 HA ASP 63 HA ASP 63 -10.850 8.344 11.203 512 1HB ASP 63 1HB ASP 63 -10.739 8.055 8.604 513 2HB ASP 63 2HB ASP 63 -12.489 7.957 8.664 514 H GLY 64 H GLY 64 -12.975 5.721 10.652 515 1HA GLY 64 1HA GLY 64 -15.071 5.127 11.398 516 2HA GLY 64 2HA GLY 64 -14.698 6.154 12.793 517 H ASP 65 H ASP 65 -15.190 7.066 9.368 518 HA ASP 65 HA ASP 65 -17.339 8.973 10.229 519 1HB ASP 65 1HB ASP 65 -15.130 9.981 9.761 520 2HB ASP 65 2HB ASP 65 -15.173 9.317 8.119 521 H GLY 66 H GLY 66 -17.022 6.109 8.694 522 1HA GLY 66 1HA GLY 66 -18.326 4.993 7.217 523 2HA GLY 66 2HA GLY 66 -19.459 6.361 7.167 524 H GLU 67 H GLU 67 -16.042 6.783 6.528 525 HA GLU 67 HA GLU 67 -16.190 6.352 3.715 526 1HB GLU 67 1HB GLU 67 -15.328 8.641 3.121 527 2HB GLU 67 2HB GLU 67 -17.008 8.573 3.668 528 1HG GLU 67 1HG GLU 67 -16.327 9.343 5.922 529 2HG GLU 67 2HG GLU 67 -14.681 9.584 5.317 530 H CYS 68 H CYS 68 -14.224 5.637 3.025 531 HA CYS 68 HA CYS 68 -12.314 5.080 5.254 532 1HB CYS 68 1HB CYS 68 -13.005 3.696 2.661 533 2HB CYS 68 2HB CYS 68 -11.385 3.472 3.361 534 HG CYS 68 HG CYS 68 -12.078 2.738 5.710 535 H ASP 69 H ASP 69 -10.338 5.982 5.330 536 HA ASP 69 HA ASP 69 -9.717 8.118 3.545 537 1HB ASP 69 1HB ASP 69 -9.134 8.155 5.930 538 2HB ASP 69 2HB ASP 69 -7.988 6.817 5.678 539 H PHE 70 H PHE 70 -7.846 8.319 2.196 540 HA PHE 70 HA PHE 70 -7.259 6.366 0.355 541 1HB PHE 70 1HB PHE 70 -6.612 8.755 0.216 542 2HB PHE 70 2HB PHE 70 -5.326 8.484 1.379 543 HD1 PHE 70 HD1 PHE 70 -3.363 6.951 0.721 544 HD2 PHE 70 HD2 PHE 70 -6.439 8.085 -2.062 545 HE1 PHE 70 HE1 PHE 70 -2.228 5.677 -1.050 546 HE2 PHE 70 HE2 PHE 70 -5.283 6.826 -3.865 547 HZ PHE 70 HZ PHE 70 -3.229 5.542 -3.346 548 H GLN 71 H GLN 71 -5.519 6.898 3.445 549 HA GLN 71 HA GLN 71 -3.548 4.923 3.179 550 1HB GLN 71 1HB GLN 71 -3.574 6.528 5.006 551 2HB GLN 71 2HB GLN 71 -5.103 5.882 5.617 552 1HG GLN 71 1HG GLN 71 -3.257 5.154 7.000 553 2HG GLN 71 2HG GLN 71 -4.009 3.760 6.238 554 1HE2 GLN 71 1HE2 GLN 71 -2.852 2.806 4.288 555 2HE2 GLN 71 2HE2 GLN 71 -1.092 2.973 4.268 556 H GLU 72 H GLU 72 -6.970 4.567 4.223 557 HA GLU 72 HA GLU 72 -6.609 1.784 5.034 558 1HB GLU 72 1HB GLU 72 -9.203 3.305 4.569 559 2HB GLU 72 2HB GLU 72 -8.963 1.825 5.506 560 1HG GLU 72 1HG GLU 72 -8.000 4.631 6.208 561 2HG GLU 72 2HG GLU 72 -9.186 3.661 7.052 562 H PHE 73 H PHE 73 -7.979 3.542 2.281 563 HA PHE 73 HA PHE 73 -8.849 1.345 0.693 564 1HB PHE 73 1HB PHE 73 -9.425 3.445 -0.091 565 2HB PHE 73 2HB PHE 73 -7.832 4.123 0.172 566 HD1 PHE 73 HD1 PHE 73 -6.134 4.124 -1.542 567 HD2 PHE 73 HD2 PHE 73 -9.825 1.951 -2.116 568 HE1 PHE 73 HE1 PHE 73 -5.633 3.897 -3.954 569 HE2 PHE 73 HE2 PHE 73 -9.339 1.780 -4.539 570 HZ PHE 73 HZ PHE 73 -7.259 2.772 -5.472 571 H MET 74 H MET 74 -5.579 2.928 0.782 572 HA MET 74 HA MET 74 -4.604 0.961 -1.010 573 1HB MET 74 1HB MET 74 -3.740 3.279 -0.773 574 2HB MET 74 2HB MET 74 -2.847 2.770 0.675 575 1HG MET 74 1HG MET 74 -1.485 1.278 -0.608 576 2HG MET 74 2HG MET 74 -2.654 1.200 -1.929 577 1HE MET 74 1HE MET 74 0.331 1.386 -2.511 578 2HE MET 74 2HE MET 74 -0.946 1.338 -3.747 579 3HE MET 74 3HE MET 74 0.317 2.587 -3.837 580 H ALA 75 H ALA 75 -4.637 1.092 2.522 581 HA ALA 75 HA ALA 75 -2.984 -1.197 2.998 582 1HB ALA 75 1HB ALA 75 -4.168 -1.382 5.127 583 2HB ALA 75 2HB ALA 75 -3.752 0.310 4.795 584 3HB ALA 75 3HB ALA 75 -5.421 -0.262 4.566 585 H PHE 76 H PHE 76 -6.444 -0.874 2.149 586 HA PHE 76 HA PHE 76 -7.100 -3.671 2.330 587 1HB PHE 76 1HB PHE 76 -8.931 -2.218 2.313 588 2HB PHE 76 2HB PHE 76 -8.334 -1.284 0.975 589 HD1 PHE 76 HD1 PHE 76 -10.273 -4.281 1.867 590 HD2 PHE 76 HD2 PHE 76 -8.565 -1.906 -1.314 591 HE1 PHE 76 HE1 PHE 76 -11.551 -5.582 0.176 592 HE2 PHE 76 HE2 PHE 76 -9.794 -3.229 -2.980 593 HZ PHE 76 HZ PHE 76 -11.225 -5.117 -2.268 594 H VAL 77 H VAL 77 -6.150 -1.603 -0.427 595 HA VAL 77 HA VAL 77 -5.889 -3.617 -2.371 596 HB VAL 77 HB VAL 77 -4.361 -1.050 -1.907 597 1HG1 VAL 77 1HG1 VAL 77 -3.648 -1.223 -4.313 598 2HG1 VAL 77 2HG1 VAL 77 -2.884 -2.444 -3.295 599 3HG1 VAL 77 3HG1 VAL 77 -4.250 -2.892 -4.341 600 1HG2 VAL 77 1HG2 VAL 77 -6.780 -0.830 -2.448 601 2HG2 VAL 77 2HG2 VAL 77 -5.766 -0.211 -3.755 602 3HG2 VAL 77 3HG2 VAL 77 -6.537 -1.804 -3.908 603 H ALA 78 H ALA 78 -3.468 -2.591 0.110 604 HA ALA 78 HA ALA 78 -1.342 -4.172 -0.761 605 1HB ALA 78 1HB ALA 78 -0.486 -4.012 1.520 606 2HB ALA 78 2HB ALA 78 -1.242 -2.465 1.071 607 3HB ALA 78 3HB ALA 78 -2.083 -3.603 2.147 608 H MET 79 H MET 79 -3.833 -5.108 1.689 609 HA MET 79 HA MET 79 -2.691 -7.757 1.918 610 1HB MET 79 1HB MET 79 -4.816 -8.384 3.063 611 2HB MET 79 2HB MET 79 -3.840 -7.111 3.818 612 1HG MET 79 1HG MET 79 -5.378 -5.420 3.067 613 2HG MET 79 2HG MET 79 -6.317 -6.602 2.122 614 1HE MET 79 1HE MET 79 -8.320 -5.396 3.317 615 2HE MET 79 2HE MET 79 -8.605 -5.434 5.074 616 3HE MET 79 3HE MET 79 -7.259 -4.455 4.417 617 H ILE 80 H ILE 80 -5.395 -6.451 -0.035 618 HA ILE 80 HA ILE 80 -6.322 -8.931 -1.080 619 HB ILE 80 HB ILE 80 -6.151 -6.129 -2.229 620 1HG1 ILE 80 1HG1 ILE 80 -7.604 -6.756 -0.133 621 2HG1 ILE 80 2HG1 ILE 80 -8.242 -5.732 -1.420 622 1HG2 ILE 80 1HG2 ILE 80 -6.284 -7.551 -4.166 623 2HG2 ILE 80 2HG2 ILE 80 -7.582 -8.519 -3.439 624 3HG2 ILE 80 3HG2 ILE 80 -7.858 -6.819 -3.889 625 1HD1 ILE 80 1HD1 ILE 80 -8.787 -8.719 -1.185 626 2HD1 ILE 80 2HD1 ILE 80 -9.854 -7.426 -0.603 627 3HD1 ILE 80 3HD1 ILE 80 -9.539 -7.581 -2.335 628 H THR 81 H THR 81 -3.808 -6.686 -2.306 629 HA THR 81 HA THR 81 -3.053 -8.292 -4.518 630 HB THR 81 HB THR 81 -1.289 -6.323 -2.985 631 HG1 THR 81 HG1 THR 81 -3.196 -5.349 -3.624 632 1HG2 THR 81 1HG2 THR 81 -1.281 -7.377 -5.854 633 2HG2 THR 81 2HG2 THR 81 -0.285 -6.040 -5.282 634 3HG2 THR 81 3HG2 THR 81 -0.042 -7.688 -4.639 635 H THR 82 H THR 82 -1.787 -8.187 -1.118 636 HA THR 82 HA THR 82 0.247 -10.104 -1.457 637 HB THR 82 HB THR 82 -1.487 -9.755 1.025 638 HG1 THR 82 HG1 THR 82 -0.586 -7.776 0.426 639 1HG2 THR 82 1HG2 THR 82 -0.024 -11.756 1.105 640 2HG2 THR 82 2HG2 THR 82 1.369 -10.761 0.632 641 3HG2 THR 82 3HG2 THR 82 0.568 -10.495 2.191 642 H ALA 83 H ALA 83 -3.218 -10.620 -0.599 643 HA ALA 83 HA ALA 83 -3.125 -13.410 -0.286 644 1HB ALA 83 1HB ALA 83 -5.054 -12.040 0.364 645 2HB ALA 83 2HB ALA 83 -5.423 -11.714 -1.345 646 3HB ALA 83 3HB ALA 83 -5.534 -13.368 -0.715 647 H CYS 84 H CYS 84 -3.676 -11.486 -3.278 648 HA CYS 84 HA CYS 84 -3.848 -13.795 -5.007 649 1HB CYS 84 1HB CYS 84 -4.610 -11.647 -5.796 650 2HB CYS 84 2HB CYS 84 -2.978 -10.944 -5.615 651 HG CYS 84 HG CYS 84 -3.516 -11.411 -8.143 652 H HIS 85 H HIS 85 -1.133 -11.623 -4.243 653 HA HIS 85 HA HIS 85 0.908 -12.585 -5.740 654 1HB HIS 85 1HB HIS 85 0.869 -10.603 -4.179 655 2HB HIS 85 2HB HIS 85 1.242 -11.702 -2.848 656 HD1 HIS 85 HD1 HIS 85 3.671 -13.289 -3.728 657 HD2 HIS 85 HD2 HIS 85 2.931 -9.291 -4.820 658 HE1 HIS 85 HE1 HIS 85 5.904 -12.288 -4.420 659 H GLU 86 H GLU 86 0.109 -13.746 -2.453 660 HA GLU 86 HA GLU 86 1.963 -15.745 -1.965 661 1HB GLU 86 1HB GLU 86 -1.066 -15.717 -1.593 662 2HB GLU 86 2HB GLU 86 -0.060 -17.017 -0.969 663 1HG GLU 86 1HG GLU 86 1.165 -15.526 0.488 664 2HG GLU 86 2HG GLU 86 0.431 -14.095 -0.236 665 H PHE 87 H PHE 87 -0.937 -15.954 -4.031 666 HA PHE 87 HA PHE 87 -0.159 -18.710 -4.872 667 1HB PHE 87 1HB PHE 87 -2.887 -17.443 -4.813 668 2HB PHE 87 2HB PHE 87 -2.477 -19.114 -5.217 669 HD1 PHE 87 HD1 PHE 87 -1.262 -20.560 -3.482 670 HD2 PHE 87 HD2 PHE 87 -3.393 -16.946 -2.489 671 HE1 PHE 87 HE1 PHE 87 -1.079 -21.107 -1.069 672 HE2 PHE 87 HE2 PHE 87 -3.241 -17.513 -0.086 673 HZ PHE 87 HZ PHE 87 -2.025 -19.557 0.638 674 H PHE 88 H PHE 88 0.705 -16.038 -5.838 675 HA PHE 88 HA PHE 88 0.182 -16.455 -8.743 676 1HB PHE 88 1HB PHE 88 -0.223 -14.157 -7.584 677 2HB PHE 88 2HB PHE 88 1.546 -14.062 -7.470 678 HD1 PHE 88 HD1 PHE 88 2.925 -14.020 -9.597 679 HD2 PHE 88 HD2 PHE 88 -1.387 -13.951 -9.663 680 HE1 PHE 88 HE1 PHE 88 2.981 -13.111 -11.896 681 HE2 PHE 88 HE2 PHE 88 -1.328 -13.046 -11.985 682 HZ PHE 88 HZ PHE 88 0.856 -12.615 -13.094 683 H GLU 89 H GLU 89 2.502 -16.075 -6.048 684 HA GLU 89 HA GLU 89 4.855 -16.972 -7.471 685 1HB GLU 89 1HB GLU 89 4.027 -17.154 -4.523 686 2HB GLU 89 2HB GLU 89 5.641 -17.521 -5.144 687 1HG GLU 89 1HG GLU 89 5.995 -15.222 -5.791 688 2HG GLU 89 2HG GLU 89 4.306 -14.801 -5.506 689 H HIS 90 H HIS 90 2.579 -18.600 -5.144 690 HA HIS 90 HA HIS 90 3.196 -21.249 -6.326 691 1HB HIS 90 1HB HIS 90 1.144 -20.510 -4.210 692 2HB HIS 90 2HB HIS 90 1.749 -22.113 -4.632 693 HD1 HIS 90 HD1 HIS 90 2.625 -18.999 -2.647 694 HD2 HIS 90 HD2 HIS 90 4.198 -22.778 -3.633 695 HE1 HIS 90 HE1 HIS 90 4.548 -19.452 -1.008 696 H GLU 91 H GLU 91 2.493 -20.222 -8.475 697 HA GLU 91 HA GLU 91 -0.386 -19.876 -8.838 698 1HB GLU 91 1HB GLU 91 1.328 -18.674 -10.208 699 2HB GLU 91 2HB GLU 91 1.794 -20.215 -10.938 700 1HG GLU 91 1HG GLU 91 0.298 -18.975 -12.413 701 2HG GLU 91 2HG GLU 91 -0.523 -20.435 -11.858 702 1H SER 1 1H SER 1 -10.702 -2.476 -14.354 703 2H SER 1 2H SER 1 -9.422 -2.918 -13.414 704 3H SER 1 3H SER 1 -10.086 -1.408 -13.260 705 HA SER 1 HA SER 1 -8.697 -2.388 -15.626 706 1HB SER 1 1HB SER 1 -8.898 0.043 -16.326 707 2HB SER 1 2HB SER 1 -10.438 -0.848 -16.271 708 HG SER 1 HG SER 1 -10.077 1.373 -15.075 709 H GLU 2 H GLU 2 -8.403 0.680 -13.967 710 HA GLU 2 HA GLU 2 -5.567 0.668 -14.110 711 1HB GLU 2 1HB GLU 2 -7.535 2.319 -12.502 712 2HB GLU 2 2HB GLU 2 -5.792 2.567 -12.370 713 1HG GLU 2 1HG GLU 2 -6.792 4.141 -13.970 714 2HG GLU 2 2HG GLU 2 -5.602 3.085 -14.736 715 H LEU 3 H LEU 3 -7.684 0.121 -11.249 716 HA LEU 3 HA LEU 3 -5.582 -0.417 -9.434 717 1HB LEU 3 1HB LEU 3 -8.347 -1.680 -9.382 718 2HB LEU 3 2HB LEU 3 -7.196 -1.538 -8.040 719 HG LEU 3 HG LEU 3 -8.724 0.708 -9.424 720 1HD1 LEU 3 1HD1 LEU 3 -9.978 -0.662 -7.781 721 2HD1 LEU 3 2HD1 LEU 3 -8.723 -0.356 -6.564 722 3HD1 LEU 3 3HD1 LEU 3 -9.710 0.982 -7.175 723 1HD2 LEU 3 1HD2 LEU 3 -7.683 2.223 -7.757 724 2HD2 LEU 3 2HD2 LEU 3 -6.581 0.912 -7.272 725 3HD2 LEU 3 3HD2 LEU 3 -6.509 1.602 -8.914 726 H GLU 4 H GLU 4 -7.450 -2.782 -11.432 727 HA GLU 4 HA GLU 4 -6.018 -5.088 -10.708 728 1HB GLU 4 1HB GLU 4 -7.325 -4.249 -13.300 729 2HB GLU 4 2HB GLU 4 -6.650 -5.866 -13.075 730 1HG GLU 4 1HG GLU 4 -8.183 -6.498 -11.449 731 2HG GLU 4 2HG GLU 4 -8.517 -4.849 -10.947 732 H LYS 5 H LYS 5 -5.189 -2.707 -13.286 733 HA LYS 5 HA LYS 5 -2.912 -4.218 -14.213 734 1HB LYS 5 1HB LYS 5 -3.589 -1.277 -14.520 735 2HB LYS 5 2HB LYS 5 -2.232 -2.087 -15.312 736 1HG LYS 5 1HG LYS 5 -5.171 -2.777 -15.695 737 2HG LYS 5 2HG LYS 5 -4.144 -1.880 -16.818 738 1HD LYS 5 1HD LYS 5 -2.659 -3.942 -16.962 739 2HD LYS 5 2HD LYS 5 -3.879 -4.826 -16.027 740 1HE LYS 5 1HE LYS 5 -4.357 -3.467 -18.714 741 2HE LYS 5 2HE LYS 5 -4.161 -5.204 -18.438 742 1HZ LYS 5 1HZ LYS 5 -6.448 -4.619 -18.588 743 2HZ LYS 5 2HZ LYS 5 -6.118 -5.146 -17.062 744 3HZ LYS 5 3HZ LYS 5 -6.319 -3.538 -17.353 745 H ALA 6 H ALA 6 -3.180 -1.439 -11.999 746 HA ALA 6 HA ALA 6 -0.473 -1.182 -11.255 747 1HB ALA 6 1HB ALA 6 -3.064 -0.825 -9.693 748 2HB ALA 6 2HB ALA 6 -1.479 -0.304 -9.097 749 3HB ALA 6 3HB ALA 6 -2.164 0.417 -10.578 750 H VAL 7 H VAL 7 -3.030 -3.229 -9.832 751 HA VAL 7 HA VAL 7 -1.524 -4.490 -7.817 752 HB VAL 7 HB VAL 7 -4.034 -5.127 -9.369 753 1HG1 VAL 7 1HG1 VAL 7 -3.194 -7.342 -8.852 754 2HG1 VAL 7 2HG1 VAL 7 -2.960 -6.867 -7.149 755 3HG1 VAL 7 3HG1 VAL 7 -4.588 -6.904 -7.852 756 1HG2 VAL 7 1HG2 VAL 7 -3.948 -3.297 -7.594 757 2HG2 VAL 7 2HG2 VAL 7 -5.120 -4.588 -7.275 758 3HG2 VAL 7 3HG2 VAL 7 -3.567 -4.551 -6.420 759 H VAL 8 H VAL 8 -2.214 -5.792 -11.187 760 HA VAL 8 HA VAL 8 -0.484 -8.027 -10.621 761 HB VAL 8 HB VAL 8 -0.583 -8.626 -12.931 762 1HG1 VAL 8 1HG1 VAL 8 -2.433 -9.223 -11.429 763 2HG1 VAL 8 2HG1 VAL 8 -3.299 -7.737 -11.872 764 3HG1 VAL 8 3HG1 VAL 8 -2.997 -8.988 -13.092 765 1HG2 VAL 8 1HG2 VAL 8 -1.889 -7.353 -14.578 766 2HG2 VAL 8 2HG2 VAL 8 -2.071 -6.039 -13.409 767 3HG2 VAL 8 3HG2 VAL 8 -0.467 -6.441 -14.049 768 H ALA 9 H ALA 9 0.167 -4.806 -12.026 769 HA ALA 9 HA ALA 9 2.834 -5.320 -12.848 770 1HB ALA 9 1HB ALA 9 1.627 -3.265 -13.432 771 2HB ALA 9 2HB ALA 9 1.658 -2.739 -11.736 772 3HB ALA 9 3HB ALA 9 3.173 -2.907 -12.640 773 H LEU 10 H LEU 10 1.574 -4.186 -9.657 774 HA LEU 10 HA LEU 10 4.057 -4.034 -8.320 775 1HB LEU 10 1HB LEU 10 1.251 -4.679 -7.351 776 2HB LEU 10 2HB LEU 10 2.605 -4.544 -6.236 777 HG LEU 10 HG LEU 10 1.990 -2.276 -8.159 778 1HD1 LEU 10 1HD1 LEU 10 0.772 -2.808 -5.425 779 2HD1 LEU 10 2HD1 LEU 10 0.668 -1.261 -6.296 780 3HD1 LEU 10 3HD1 LEU 10 -0.108 -2.710 -6.966 781 1HD2 LEU 10 1HD2 LEU 10 3.193 -2.311 -5.350 782 2HD2 LEU 10 2HD2 LEU 10 4.142 -2.306 -6.845 783 3HD2 LEU 10 3HD2 LEU 10 3.099 -0.930 -6.456 784 H ILE 11 H ILE 11 1.782 -6.831 -8.497 785 HA ILE 11 HA ILE 11 3.448 -8.631 -7.048 786 HB ILE 11 HB ILE 11 1.453 -9.216 -9.278 787 1HG1 ILE 11 1HG1 ILE 11 1.157 -9.300 -6.239 788 2HG1 ILE 11 2HG1 ILE 11 0.481 -8.075 -7.306 789 1HG2 ILE 11 1HG2 ILE 11 3.017 -11.127 -8.975 790 2HG2 ILE 11 2HG2 ILE 11 2.683 -11.123 -7.233 791 3HG2 ILE 11 3HG2 ILE 11 1.411 -11.520 -8.402 792 1HD1 ILE 11 1HD1 ILE 11 -0.842 -9.907 -8.454 793 2HD1 ILE 11 2HD1 ILE 11 -0.319 -11.006 -7.151 794 3HD1 ILE 11 3HD1 ILE 11 -1.280 -9.583 -6.766 795 H ASP 12 H ASP 12 3.222 -8.090 -10.592 796 HA ASP 12 HA ASP 12 5.062 -10.038 -11.363 797 1HB ASP 12 1HB ASP 12 3.576 -8.969 -12.947 798 2HB ASP 12 2HB ASP 12 4.338 -7.393 -12.675 799 H VAL 13 H VAL 13 5.649 -6.534 -10.816 800 HA VAL 13 HA VAL 13 8.466 -6.617 -11.321 801 HB VAL 13 HB VAL 13 6.712 -4.720 -9.697 802 1HG1 VAL 13 1HG1 VAL 13 8.614 -3.123 -9.796 803 2HG1 VAL 13 2HG1 VAL 13 9.000 -4.526 -8.797 804 3HG1 VAL 13 3HG1 VAL 13 9.652 -4.406 -10.446 805 1HG2 VAL 13 1HG2 VAL 13 8.080 -4.441 -12.414 806 2HG2 VAL 13 2HG2 VAL 13 6.356 -4.784 -12.187 807 3HG2 VAL 13 3HG2 VAL 13 7.026 -3.239 -11.639 808 H PHE 14 H PHE 14 6.622 -6.646 -8.189 809 HA PHE 14 HA PHE 14 8.963 -6.754 -6.631 810 1HB PHE 14 1HB PHE 14 6.752 -6.183 -5.730 811 2HB PHE 14 2HB PHE 14 6.203 -7.842 -5.966 812 HD1 PHE 14 HD1 PHE 14 8.121 -5.582 -3.813 813 HD2 PHE 14 HD2 PHE 14 7.213 -9.721 -4.631 814 HE1 PHE 14 HE1 PHE 14 8.858 -6.225 -1.528 815 HE2 PHE 14 HE2 PHE 14 7.918 -10.329 -2.366 816 HZ PHE 14 HZ PHE 14 8.766 -8.586 -0.802 817 H HIS 15 H HIS 15 6.822 -9.511 -7.634 818 HA HIS 15 HA HIS 15 8.244 -11.396 -6.160 819 1HB HIS 15 1HB HIS 15 6.935 -13.006 -6.974 820 2HB HIS 15 2HB HIS 15 5.918 -11.585 -7.164 821 HD1 HIS 15 HD1 HIS 15 7.206 -10.733 -10.105 822 HD2 HIS 15 HD2 HIS 15 5.812 -14.488 -8.795 823 HE1 HIS 15 HE1 HIS 15 6.661 -12.079 -12.189 824 H GLN 16 H GLN 16 9.112 -9.981 -9.212 825 HA GLN 16 HA GLN 16 10.976 -12.099 -9.974 826 1HB GLN 16 1HB GLN 16 9.749 -10.600 -11.558 827 2HB GLN 16 2HB GLN 16 10.707 -9.233 -10.993 828 1HG GLN 16 1HG GLN 16 11.815 -11.796 -12.239 829 2HG GLN 16 2HG GLN 16 11.498 -10.301 -13.129 830 1HE2 GLN 16 1HE2 GLN 16 14.082 -11.895 -12.344 831 2HE2 GLN 16 2HE2 GLN 16 15.127 -10.612 -11.766 832 H TYR 17 H TYR 17 11.159 -8.763 -8.570 833 HA TYR 17 HA TYR 17 14.007 -8.747 -8.288 834 1HB TYR 17 1HB TYR 17 11.776 -7.155 -7.038 835 2HB TYR 17 2HB TYR 17 13.431 -6.999 -6.471 836 HD1 TYR 17 HD1 TYR 17 11.691 -7.041 -9.853 837 HD2 TYR 17 HD2 TYR 17 14.764 -5.326 -7.371 838 HE1 TYR 17 HE1 TYR 17 11.875 -5.144 -11.411 839 HE2 TYR 17 HE2 TYR 17 15.026 -3.478 -9.005 840 HH TYR 17 HH TYR 17 12.728 -2.980 -11.671 841 H SER 18 H SER 18 11.420 -9.540 -5.889 842 HA SER 18 HA SER 18 13.140 -10.263 -3.701 843 1HB SER 18 1HB SER 18 11.053 -11.462 -2.974 844 2HB SER 18 2HB SER 18 10.878 -9.718 -3.281 845 HG SER 18 HG SER 18 9.256 -11.112 -4.282 846 H GLY 19 H GLY 19 12.453 -11.898 -6.740 847 1HA GLY 19 1HA GLY 19 12.939 -14.600 -5.777 848 2HA GLY 19 2HA GLY 19 12.871 -14.016 -7.450 849 H ARG 20 H ARG 20 14.901 -11.824 -6.888 850 HA ARG 20 HA ARG 20 17.077 -13.468 -7.812 851 1HB ARG 20 1HB ARG 20 17.312 -10.573 -6.991 852 2HB ARG 20 2HB ARG 20 18.283 -11.477 -8.160 853 1HG ARG 20 1HG ARG 20 16.057 -11.698 -9.526 854 2HG ARG 20 2HG ARG 20 15.418 -10.514 -8.400 855 1HD ARG 20 1HD ARG 20 17.471 -9.074 -8.884 856 2HD ARG 20 2HD ARG 20 17.729 -10.098 -10.313 857 HE ARG 20 HE ARG 20 15.031 -9.281 -10.375 858 1HH1 ARG 20 2HH2 ARG 20 18.136 -7.599 -10.245 859 2HH1 ARG 20 1HH2 ARG 20 17.479 -6.090 -10.800 860 1HH2 ARG 20 2HH1 ARG 20 14.254 -7.501 -11.377 861 2HH2 ARG 20 1HH1 ARG 20 15.238 -6.066 -11.641 862 H GLU 21 H GLU 21 16.672 -11.437 -4.875 863 HA GLU 21 HA GLU 21 18.311 -13.354 -3.353 864 1HB GLU 21 1HB GLU 21 18.923 -10.381 -3.263 865 2HB GLU 21 2HB GLU 21 19.603 -11.643 -2.234 866 1HG GLU 21 1HG GLU 21 20.549 -12.751 -4.285 867 2HG GLU 21 2HG GLU 21 19.972 -11.386 -5.255 868 H GLY 22 H GLY 22 16.792 -14.048 -2.033 869 1HA GLY 22 1HA GLY 22 15.521 -12.971 0.063 870 2HA GLY 22 2HA GLY 22 14.538 -12.366 -1.290 871 H ASP 23 H ASP 23 12.997 -13.713 -2.030 872 HA ASP 23 HA ASP 23 13.137 -16.545 -2.291 873 1HB ASP 23 1HB ASP 23 11.794 -17.324 -0.425 874 2HB ASP 23 2HB ASP 23 13.195 -16.508 0.242 875 H LYS 24 H LYS 24 12.063 -14.147 -3.654 876 HA LYS 24 HA LYS 24 10.304 -13.395 -4.790 877 1HB LYS 24 1HB LYS 24 8.931 -16.036 -4.262 878 2HB LYS 24 2HB LYS 24 8.429 -14.764 -5.383 879 1HG LYS 24 1HG LYS 24 10.652 -14.965 -6.550 880 2HG LYS 24 2HG LYS 24 11.043 -16.313 -5.477 881 1HD LYS 24 1HD LYS 24 10.284 -17.288 -7.506 882 2HD LYS 24 2HD LYS 24 9.001 -17.525 -6.317 883 1HE LYS 24 1HE LYS 24 8.095 -16.899 -8.516 884 2HE LYS 24 2HE LYS 24 7.713 -15.649 -7.332 885 1HZ LYS 24 1HZ LYS 24 9.940 -15.535 -9.248 886 2HZ LYS 24 2HZ LYS 24 8.490 -14.773 -9.425 887 3HZ LYS 24 3HZ LYS 24 9.501 -14.338 -8.201 888 H HIS 25 H HIS 25 9.490 -14.536 -1.523 889 HA HIS 25 HA HIS 25 7.140 -12.824 -1.315 890 1HB HIS 25 1HB HIS 25 8.669 -14.366 0.809 891 2HB HIS 25 2HB HIS 25 7.087 -13.616 0.982 892 HD1 HIS 25 HD1 HIS 25 8.703 -16.480 -1.127 893 HD2 HIS 25 HD2 HIS 25 5.014 -15.085 0.366 894 HE1 HIS 25 HE1 HIS 25 6.985 -18.295 -1.600 895 H LYS 26 H LYS 26 10.618 -12.495 -0.620 896 HA LYS 26 HA LYS 26 10.113 -9.856 0.607 897 1HB LYS 26 1HB LYS 26 12.169 -11.808 1.669 898 2HB LYS 26 2HB LYS 26 11.566 -10.325 2.423 899 1HG LYS 26 1HG LYS 26 9.283 -11.571 2.584 900 2HG LYS 26 2HG LYS 26 10.197 -13.019 2.150 901 1HD LYS 26 1HD LYS 26 11.757 -12.525 4.088 902 2HD LYS 26 2HD LYS 26 10.646 -11.245 4.593 903 1HE LYS 26 1HE LYS 26 9.993 -14.222 4.275 904 2HE LYS 26 2HE LYS 26 10.269 -13.387 5.809 905 1HZ LYS 26 1HZ LYS 26 8.081 -12.767 3.937 906 2HZ LYS 26 2HZ LYS 26 7.947 -13.672 5.307 907 3HZ LYS 26 3HZ LYS 26 8.330 -12.078 5.415 908 H LEU 27 H LEU 27 11.750 -8.330 0.390 909 HA LEU 27 HA LEU 27 13.713 -8.793 -1.826 910 1HB LEU 27 1HB LEU 27 12.724 -6.295 -0.394 911 2HB LEU 27 2HB LEU 27 13.927 -6.288 -1.679 912 HG LEU 27 HG LEU 27 11.123 -7.348 -2.118 913 1HD1 LEU 27 1HD1 LEU 27 10.985 -5.015 -1.263 914 2HD1 LEU 27 2HD1 LEU 27 12.189 -4.511 -2.466 915 3HD1 LEU 27 3HD1 LEU 27 10.589 -5.064 -2.993 916 1HD2 LEU 27 1HD2 LEU 27 11.551 -6.801 -4.457 917 2HD2 LEU 27 2HD2 LEU 27 13.133 -6.107 -4.052 918 3HD2 LEU 27 3HD2 LEU 27 12.861 -7.851 -3.863 919 H LYS 28 H LYS 28 15.850 -9.221 -1.156 920 HA LYS 28 HA LYS 28 16.744 -8.509 1.528 921 1HB LYS 28 1HB LYS 28 17.529 -10.475 0.134 922 2HB LYS 28 2HB LYS 28 18.343 -9.316 -0.918 923 1HG LYS 28 1HG LYS 28 19.925 -10.291 0.502 924 2HG LYS 28 2HG LYS 28 19.778 -8.635 1.056 925 1HD LYS 28 1HD LYS 28 18.151 -10.803 2.404 926 2HD LYS 28 2HD LYS 28 19.890 -10.759 2.665 927 1HE LYS 28 1HE LYS 28 19.736 -8.379 3.430 928 2HE LYS 28 2HE LYS 28 17.963 -8.510 3.373 929 1HZ LYS 28 1HZ LYS 28 18.119 -10.312 4.914 930 2HZ LYS 28 2HZ LYS 28 19.759 -10.181 4.973 931 3HZ LYS 28 3HZ LYS 28 18.822 -8.947 5.530 932 H LYS 29 H LYS 29 18.706 -6.978 1.758 933 HA LYS 29 HA LYS 29 17.942 -4.392 1.112 934 1HB LYS 29 1HB LYS 29 20.112 -3.687 1.980 935 2HB LYS 29 2HB LYS 29 19.458 -4.986 2.939 936 1HG LYS 29 1HG LYS 29 21.574 -5.747 2.807 937 2HG LYS 29 2HG LYS 29 20.983 -6.516 1.334 938 1HD LYS 29 1HD LYS 29 21.893 -4.475 0.052 939 2HD LYS 29 2HD LYS 29 22.552 -3.901 1.585 940 1HE LYS 29 1HE LYS 29 23.924 -5.931 1.798 941 2HE LYS 29 2HE LYS 29 23.198 -6.612 0.328 942 1HZ LYS 29 1HZ LYS 29 24.794 -4.148 0.439 943 2HZ LYS 29 2HZ LYS 29 25.324 -5.619 -0.082 944 3HZ LYS 29 3HZ LYS 29 24.144 -4.827 -0.914 945 H SER 30 H SER 30 20.046 -6.442 -0.876 946 HA SER 30 HA SER 30 21.010 -4.439 -2.652 947 1HB SER 30 1HB SER 30 21.023 -6.708 -4.095 948 2HB SER 30 2HB SER 30 22.084 -6.556 -2.679 949 HG SER 30 HG SER 30 20.784 -8.511 -2.700 950 H GLU 31 H GLU 31 18.202 -6.669 -2.642 951 HA GLU 31 HA GLU 31 17.244 -5.851 -5.243 952 1HB GLU 31 1HB GLU 31 15.663 -7.302 -3.081 953 2HB GLU 31 2HB GLU 31 15.375 -7.282 -4.829 954 1HG GLU 31 1HG GLU 31 17.647 -8.596 -3.317 955 2HG GLU 31 2HG GLU 31 16.404 -9.379 -4.301 956 H LEU 32 H LEU 32 16.328 -5.134 -1.885 957 HA LEU 32 HA LEU 32 14.167 -3.407 -2.407 958 1HB LEU 32 1HB LEU 32 14.763 -4.339 -0.214 959 2HB LEU 32 2HB LEU 32 16.227 -3.344 -0.153 960 HG LEU 32 HG LEU 32 14.272 -2.611 1.246 961 1HD1 LEU 32 1HD1 LEU 32 14.573 -0.265 0.946 962 2HD1 LEU 32 2HD1 LEU 32 16.122 -1.087 0.711 963 3HD1 LEU 32 3HD1 LEU 32 15.215 -0.473 -0.685 964 1HD2 LEU 32 1HD2 LEU 32 12.418 -1.412 0.276 965 2HD2 LEU 32 2HD2 LEU 32 13.001 -1.738 -1.364 966 3HD2 LEU 32 3HD2 LEU 32 12.460 -3.077 -0.329 967 H LYS 33 H LYS 33 17.689 -2.672 -2.026 968 HA LYS 33 HA LYS 33 17.537 0.077 -2.488 969 1HB LYS 33 1HB LYS 33 19.509 -0.926 -1.707 970 2HB LYS 33 2HB LYS 33 19.663 -2.013 -3.056 971 1HG LYS 33 1HG LYS 33 20.090 0.012 -4.560 972 2HG LYS 33 2HG LYS 33 19.955 1.038 -3.119 973 1HD LYS 33 1HD LYS 33 21.856 -0.457 -2.142 974 2HD LYS 33 2HD LYS 33 22.060 -1.066 -3.786 975 1HE LYS 33 1HE LYS 33 22.281 1.856 -2.883 976 2HE LYS 33 2HE LYS 33 23.626 0.795 -3.326 977 1HZ LYS 33 1HZ LYS 33 21.480 1.678 -5.123 978 2HZ LYS 33 2HZ LYS 33 23.028 2.238 -5.103 979 3HZ LYS 33 3HZ LYS 33 22.723 0.678 -5.538 980 H GLU 34 H GLU 34 18.121 -2.502 -5.016 981 HA GLU 34 HA GLU 34 18.132 -0.429 -7.034 982 1HB GLU 34 1HB GLU 34 18.106 -2.129 -8.714 983 2HB GLU 34 2HB GLU 34 19.372 -2.406 -7.516 984 1HG GLU 34 1HG GLU 34 18.218 -4.254 -6.557 985 2HG GLU 34 2HG GLU 34 16.713 -3.894 -7.406 986 H LEU 35 H LEU 35 15.595 -2.623 -5.839 987 HA LEU 35 HA LEU 35 13.513 -2.051 -7.625 988 1HB LEU 35 1HB LEU 35 13.404 -3.759 -5.927 989 2HB LEU 35 2HB LEU 35 13.587 -2.582 -4.640 990 HG LEU 35 HG LEU 35 11.380 -3.535 -4.755 991 1HD1 LEU 35 1HD1 LEU 35 10.119 -1.636 -4.351 992 2HD1 LEU 35 2HD1 LEU 35 11.761 -1.126 -4.002 993 3HD1 LEU 35 3HD1 LEU 35 10.971 -0.644 -5.530 994 1HD2 LEU 35 1HD2 LEU 35 9.793 -3.032 -6.580 995 2HD2 LEU 35 2HD2 LEU 35 11.125 -2.298 -7.505 996 3HD2 LEU 35 3HD2 LEU 35 11.166 -4.026 -7.113 997 H ILE 36 H ILE 36 14.356 -0.249 -4.570 998 HA ILE 36 HA ILE 36 12.273 1.642 -5.003 999 HB ILE 36 HB ILE 36 14.827 2.067 -3.435 1000 1HG1 ILE 36 1HG1 ILE 36 13.322 0.074 -2.735 1001 2HG1 ILE 36 2HG1 ILE 36 13.829 1.239 -1.516 1002 1HG2 ILE 36 1HG2 ILE 36 13.683 4.198 -3.891 1003 2HG2 ILE 36 2HG2 ILE 36 12.133 3.512 -3.412 1004 3HG2 ILE 36 3HG2 ILE 36 13.405 3.750 -2.198 1005 1HD1 ILE 36 1HD1 ILE 36 11.663 2.202 -1.454 1006 2HD1 ILE 36 2HD1 ILE 36 11.111 1.275 -2.880 1007 3HD1 ILE 36 3HD1 ILE 36 11.475 0.452 -1.347 1008 H ASN 37 H ASN 37 15.797 1.873 -5.781 1009 HA ASN 37 HA ASN 37 15.681 4.486 -6.909 1010 1HB ASN 37 1HB ASN 37 17.505 2.126 -7.531 1011 2HB ASN 37 2HB ASN 37 17.682 3.729 -8.272 1012 1HD2 ASN 37 2HD2 ASN 37 18.031 1.924 -5.245 1013 2HD2 ASN 37 1HD2 ASN 37 18.979 3.178 -4.450 1014 H ASN 38 H ASN 38 15.335 1.308 -8.540 1015 HA ASN 38 HA ASN 38 15.026 2.260 -11.176 1016 1HB ASN 38 1HB ASN 38 13.999 -0.266 -9.794 1017 2HB ASN 38 2HB ASN 38 13.931 0.034 -11.539 1018 1HD2 ASN 38 1HD2 ASN 38 15.114 -2.205 -11.044 1019 2HD2 ASN 38 2HD2 ASN 38 16.870 -2.083 -11.130 1020 H GLU 39 H GLU 39 12.623 1.594 -8.594 1021 HA GLU 39 HA GLU 39 10.453 2.154 -10.494 1022 1HB GLU 39 1HB GLU 39 10.426 1.159 -7.635 1023 2HB GLU 39 2HB GLU 39 9.026 1.367 -8.680 1024 1HG GLU 39 1HG GLU 39 11.363 -0.515 -9.222 1025 2HG GLU 39 2HG GLU 39 9.741 -0.972 -8.691 1026 H LEU 40 H LEU 40 11.926 3.862 -7.763 1027 HA LEU 40 HA LEU 40 9.806 5.971 -8.000 1028 1HB LEU 40 1HB LEU 40 11.601 5.170 -5.690 1029 2HB LEU 40 2HB LEU 40 10.853 6.754 -5.800 1030 HG LEU 40 HG LEU 40 8.620 5.816 -5.916 1031 1HD1 LEU 40 1HD1 LEU 40 10.053 3.189 -5.310 1032 2HD1 LEU 40 2HD1 LEU 40 8.318 3.471 -5.041 1033 3HD1 LEU 40 3HD1 LEU 40 8.966 3.534 -6.679 1034 1HD2 LEU 40 1HD2 LEU 40 9.528 6.686 -3.845 1035 2HD2 LEU 40 2HD2 LEU 40 8.594 5.226 -3.480 1036 3HD2 LEU 40 3HD2 LEU 40 10.370 5.160 -3.518 1037 H SER 41 H SER 41 11.958 5.690 -9.998 1038 HA SER 41 HA SER 41 14.203 7.140 -9.450 1039 1HB SER 41 1HB SER 41 12.829 7.192 -12.153 1040 2HB SER 41 2HB SER 41 14.567 7.116 -11.786 1041 HG SER 41 HG SER 41 14.033 5.034 -10.745 1042 H HIS 42 H HIS 42 11.045 8.546 -9.846 1043 HA HIS 42 HA HIS 42 12.243 11.292 -10.019 1044 1HB HIS 42 1HB HIS 42 9.395 10.413 -10.589 1045 2HB HIS 42 2HB HIS 42 10.060 12.045 -10.732 1046 HD1 HIS 42 HD1 HIS 42 12.840 10.561 -12.119 1047 HD2 HIS 42 HD2 HIS 42 8.793 10.535 -13.283 1048 HE1 HIS 42 HE1 HIS 42 12.796 10.029 -14.623 1049 H PHE 43 H PHE 43 9.901 9.231 -8.318 1050 HA PHE 43 HA PHE 43 9.068 11.129 -6.395 1051 1HB PHE 43 1HB PHE 43 8.962 8.145 -6.669 1052 2HB PHE 43 2HB PHE 43 8.703 8.805 -5.074 1053 HD1 PHE 43 HD1 PHE 43 7.574 9.897 -8.537 1054 HD2 PHE 43 HD2 PHE 43 6.458 8.902 -4.495 1055 HE1 PHE 43 HE1 PHE 43 5.186 10.163 -9.122 1056 HE2 PHE 43 HE2 PHE 43 4.058 9.041 -5.114 1057 HZ PHE 43 HZ PHE 43 3.422 9.729 -7.424 1058 H LEU 44 H LEU 44 11.914 8.905 -6.301 1059 HA LEU 44 HA LEU 44 12.741 10.270 -3.796 1060 1HB LEU 44 1HB LEU 44 11.939 7.623 -3.911 1061 2HB LEU 44 2HB LEU 44 13.664 7.486 -4.263 1062 HG LEU 44 HG LEU 44 13.948 9.087 -2.226 1063 1HD1 LEU 44 1HD1 LEU 44 12.150 8.904 -0.518 1064 2HD1 LEU 44 2HD1 LEU 44 11.556 9.712 -1.971 1065 3HD1 LEU 44 3HD1 LEU 44 11.141 8.012 -1.673 1066 1HD2 LEU 44 1HD2 LEU 44 12.976 6.223 -1.829 1067 2HD2 LEU 44 2HD2 LEU 44 14.639 6.733 -2.196 1068 3HD2 LEU 44 3HD2 LEU 44 13.907 7.163 -0.640 1069 H GLU 45 H GLU 45 14.893 10.822 -3.642 1070 HA GLU 45 HA GLU 45 16.363 11.015 -6.141 1071 1HB GLU 45 1HB GLU 45 16.244 12.684 -4.160 1072 2HB GLU 45 2HB GLU 45 17.443 11.654 -3.378 1073 1HG GLU 45 1HG GLU 45 17.864 12.820 -6.164 1074 2HG GLU 45 2HG GLU 45 18.186 13.749 -4.705 1075 H GLU 46 H GLU 46 18.640 10.133 -6.308 1076 HA GLU 46 HA GLU 46 18.423 7.330 -6.157 1077 1HB GLU 46 1HB GLU 46 19.637 8.574 -7.928 1078 2HB GLU 46 2HB GLU 46 20.846 9.104 -6.739 1079 1HG GLU 46 1HG GLU 46 21.534 6.756 -6.374 1080 2HG GLU 46 2HG GLU 46 20.290 6.207 -7.515 1081 H ILE 47 H ILE 47 18.997 5.924 -4.678 1082 HA ILE 47 HA ILE 47 19.830 6.944 -2.074 1083 HB ILE 47 HB ILE 47 19.133 4.078 -2.704 1084 1HG1 ILE 47 1HG1 ILE 47 17.174 6.297 -1.946 1085 2HG1 ILE 47 2HG1 ILE 47 17.333 5.661 -3.595 1086 1HG2 ILE 47 1HG2 ILE 47 18.861 5.815 -0.210 1087 2HG2 ILE 47 2HG2 ILE 47 18.423 4.115 -0.314 1088 3HG2 ILE 47 3HG2 ILE 47 20.116 4.594 -0.457 1089 1HD1 ILE 47 1HD1 ILE 47 16.402 4.065 -1.216 1090 2HD1 ILE 47 2HD1 ILE 47 15.533 4.587 -2.668 1091 3HD1 ILE 47 3HD1 ILE 47 16.828 3.391 -2.817 1092 H LYS 48 H LYS 48 21.929 7.483 -3.275 1093 HA LYS 48 HA LYS 48 23.902 5.578 -3.861 1094 1HB LYS 48 1HB LYS 48 25.490 7.407 -3.622 1095 2HB LYS 48 2HB LYS 48 24.003 7.989 -4.385 1096 1HG LYS 48 1HG LYS 48 23.265 8.747 -2.029 1097 2HG LYS 48 2HG LYS 48 24.937 8.419 -1.518 1098 1HD LYS 48 1HD LYS 48 25.743 10.071 -3.214 1099 2HD LYS 48 2HD LYS 48 24.057 10.352 -3.695 1100 1HE LYS 48 1HE LYS 48 24.559 12.101 -2.141 1101 2HE LYS 48 2HE LYS 48 23.550 10.933 -1.267 1102 1HZ LYS 48 1HZ LYS 48 25.524 10.058 -0.269 1103 2HZ LYS 48 2HZ LYS 48 26.471 11.131 -1.092 1104 3HZ LYS 48 3HZ LYS 48 25.380 11.672 0.022 1105 H GLU 49 H GLU 49 22.953 6.916 -0.701 1106 HA GLU 49 HA GLU 49 25.330 5.895 0.588 1107 1HB GLU 49 1HB GLU 49 24.010 8.047 1.124 1108 2HB GLU 49 2HB GLU 49 22.955 7.017 2.094 1109 1HG GLU 49 1HG GLU 49 26.005 7.254 2.357 1110 2HG GLU 49 2HG GLU 49 24.829 8.122 3.341 1111 H GLN 50 H GLN 50 25.008 3.689 -0.063 1112 HA GLN 50 HA GLN 50 23.006 2.008 0.083 1113 1HB GLN 50 1HB GLN 50 25.402 1.491 -0.525 1114 2HB GLN 50 2HB GLN 50 25.674 1.106 1.185 1115 1HG GLN 50 1HG GLN 50 23.684 -0.563 0.947 1116 2HG GLN 50 2HG GLN 50 23.795 -0.301 -0.790 1117 1HE2 GLN 50 1HE2 GLN 50 26.631 -0.175 -1.131 1118 2HE2 GLN 50 2HE2 GLN 50 27.270 -1.749 -0.695 1119 H GLU 51 H GLU 51 24.682 2.982 3.129 1120 HA GLU 51 HA GLU 51 23.623 0.956 4.812 1121 1HB GLU 51 1HB GLU 51 25.402 2.690 5.392 1122 2HB GLU 51 2HB GLU 51 24.093 3.879 5.517 1123 1HG GLU 51 1HG GLU 51 23.042 2.420 7.313 1124 2HG GLU 51 2HG GLU 51 24.507 1.427 7.261 1125 H VAL 52 H VAL 52 22.198 3.969 3.545 1126 HA VAL 52 HA VAL 52 19.973 4.014 5.336 1127 HB VAL 52 HB VAL 52 20.346 5.306 2.612 1128 1HG1 VAL 52 1HG1 VAL 52 18.220 5.704 4.765 1129 2HG1 VAL 52 2HG1 VAL 52 18.493 6.803 3.407 1130 3HG1 VAL 52 3HG1 VAL 52 17.954 5.164 3.086 1131 1HG2 VAL 52 1HG2 VAL 52 20.765 7.316 4.060 1132 2HG2 VAL 52 2HG2 VAL 52 20.653 6.294 5.498 1133 3HG2 VAL 52 3HG2 VAL 52 21.967 6.057 4.328 1134 H VAL 53 H VAL 53 20.579 2.088 2.364 1135 HA VAL 53 HA VAL 53 17.818 1.604 1.818 1136 HB VAL 53 HB VAL 53 18.446 0.077 0.312 1137 1HG1 VAL 53 1HG1 VAL 53 20.737 2.050 0.445 1138 2HG1 VAL 53 2HG1 VAL 53 20.530 0.902 -0.854 1139 3HG1 VAL 53 3HG1 VAL 53 19.254 2.065 -0.517 1140 1HG2 VAL 53 1HG2 VAL 53 20.610 -1.184 0.181 1141 2HG2 VAL 53 2HG2 VAL 53 20.928 -0.704 1.839 1142 3HG2 VAL 53 3HG2 VAL 53 19.478 -1.634 1.450 1143 H ASP 54 H ASP 54 20.323 -0.090 3.704 1144 HA ASP 54 HA ASP 54 18.695 -2.131 4.801 1145 1HB ASP 54 1HB ASP 54 21.143 -2.183 4.934 1146 2HB ASP 54 2HB ASP 54 21.145 -0.766 5.998 1147 H LYS 55 H LYS 55 19.474 1.203 6.018 1148 HA LYS 55 HA LYS 55 18.056 0.944 8.424 1149 1HB LYS 55 1HB LYS 55 19.626 2.789 7.731 1150 2HB LYS 55 2HB LYS 55 18.296 3.504 6.800 1151 1HG LYS 55 1HG LYS 55 16.964 3.754 8.863 1152 2HG LYS 55 2HG LYS 55 18.250 2.961 9.798 1153 1HD LYS 55 1HD LYS 55 19.831 4.767 9.183 1154 2HD LYS 55 2HD LYS 55 18.566 5.565 8.225 1155 1HE LYS 55 1HE LYS 55 17.191 5.876 10.256 1156 2HE LYS 55 2HE LYS 55 18.390 5.004 11.227 1157 1HZ LYS 55 1HZ LYS 55 19.967 6.717 10.709 1158 2HZ LYS 55 2HZ LYS 55 18.851 7.549 9.825 1159 3HZ LYS 55 3HZ LYS 55 18.636 7.345 11.445 1160 H VAL 56 H VAL 56 16.801 2.228 5.276 1161 HA VAL 56 HA VAL 56 14.190 2.707 6.348 1162 HB VAL 56 HB VAL 56 13.404 3.126 4.152 1163 1HG1 VAL 56 1HG1 VAL 56 14.897 4.963 3.503 1164 2HG1 VAL 56 2HG1 VAL 56 14.671 4.898 5.259 1165 3HG1 VAL 56 3HG1 VAL 56 16.178 4.318 4.535 1166 1HG2 VAL 56 1HG2 VAL 56 14.801 2.940 2.139 1167 2HG2 VAL 56 2HG2 VAL 56 16.032 2.086 3.079 1168 3HG2 VAL 56 3HG2 VAL 56 14.436 1.358 2.837 1169 H MET 57 H MET 57 15.649 -0.188 4.742 1170 HA MET 57 HA MET 57 13.087 -1.498 4.632 1171 1HB MET 57 1HB MET 57 14.092 -3.244 3.752 1172 2HB MET 57 2HB MET 57 15.391 -2.094 3.470 1173 1HG MET 57 1HG MET 57 16.471 -2.981 5.608 1174 2HG MET 57 2HG MET 57 15.207 -4.219 5.646 1175 1HE MET 57 1HE MET 57 15.149 -4.678 2.260 1176 2HE MET 57 2HE MET 57 16.055 -6.195 2.399 1177 3HE MET 57 3HE MET 57 14.799 -5.800 3.593 1178 H GLU 58 H GLU 58 15.748 -1.588 7.056 1179 HA GLU 58 HA GLU 58 14.779 -3.498 8.801 1180 1HB GLU 58 1HB GLU 58 16.426 -1.010 9.207 1181 2HB GLU 58 2HB GLU 58 16.055 -2.107 10.538 1182 1HG GLU 58 1HG GLU 58 17.223 -3.204 7.950 1183 2HG GLU 58 2HG GLU 58 18.176 -2.420 9.206 1184 H THR 59 H THR 59 14.288 0.050 8.965 1185 HA THR 59 HA THR 59 12.645 -0.045 11.251 1186 HB THR 59 HB THR 59 13.581 2.047 10.317 1187 HG1 THR 59 HG1 THR 59 10.885 1.817 11.095 1188 1HG2 THR 59 1HG2 THR 59 12.368 3.365 8.713 1189 2HG2 THR 59 2HG2 THR 59 12.800 1.815 7.976 1190 3HG2 THR 59 3HG2 THR 59 11.133 2.117 8.513 1191 H LEU 60 H LEU 60 11.733 -1.073 8.031 1192 HA LEU 60 HA LEU 60 8.853 -1.197 8.840 1193 1HB LEU 60 1HB LEU 60 10.044 -1.551 6.076 1194 2HB LEU 60 2HB LEU 60 8.339 -1.401 6.522 1195 HG LEU 60 HG LEU 60 10.463 0.776 6.662 1196 1HD1 LEU 60 1HD1 LEU 60 9.597 0.287 4.426 1197 2HD1 LEU 60 2HD1 LEU 60 7.926 0.494 5.007 1198 3HD1 LEU 60 3HD1 LEU 60 9.044 1.877 4.989 1199 1HD2 LEU 60 1HD2 LEU 60 8.641 2.300 7.355 1200 2HD2 LEU 60 2HD2 LEU 60 7.554 0.905 7.558 1201 3HD2 LEU 60 3HD2 LEU 60 8.992 1.102 8.591 1202 H ASP 61 H ASP 61 11.567 -3.098 9.077 1203 HA ASP 61 HA ASP 61 10.624 -5.431 7.659 1204 1HB ASP 61 1HB ASP 61 13.017 -4.939 7.904 1205 2HB ASP 61 2HB ASP 61 12.886 -5.115 9.661 1206 H SER 62 H SER 62 8.448 -5.284 8.816 1207 HA SER 62 HA SER 62 8.100 -6.153 11.463 1208 1HB SER 62 1HB SER 62 6.314 -6.877 9.105 1209 2HB SER 62 2HB SER 62 5.873 -6.808 10.817 1210 HG SER 62 HG SER 62 6.324 -4.696 9.027 1211 H ASP 63 H ASP 63 9.169 -8.010 8.685 1212 HA ASP 63 HA ASP 63 8.564 -10.633 9.750 1213 1HB ASP 63 1HB ASP 63 10.691 -9.872 7.701 1214 2HB ASP 63 2HB ASP 63 9.920 -11.440 7.928 1215 H GLY 64 H GLY 64 10.981 -8.256 10.517 1216 1HA GLY 64 1HA GLY 64 13.028 -8.296 11.502 1217 2HA GLY 64 2HA GLY 64 12.362 -9.612 12.481 1218 H ASP 65 H ASP 65 13.070 -9.620 8.923 1219 HA ASP 65 HA ASP 65 14.868 -11.961 9.381 1220 1HB ASP 65 1HB ASP 65 12.560 -12.475 8.497 1221 2HB ASP 65 2HB ASP 65 12.923 -11.459 7.090 1222 H GLY 66 H GLY 66 15.075 -8.791 8.788 1223 1HA GLY 66 1HA GLY 66 16.663 -7.526 7.733 1224 2HA GLY 66 2HA GLY 66 17.384 -8.965 7.007 1225 H GLU 67 H GLU 67 15.918 -10.056 5.349 1226 HA GLU 67 HA GLU 67 15.172 -8.223 3.312 1227 1HB GLU 67 1HB GLU 67 14.014 -10.201 2.236 1228 2HB GLU 67 2HB GLU 67 15.743 -10.334 2.474 1229 1HG GLU 67 1HG GLU 67 14.028 -11.446 4.677 1230 2HG GLU 67 2HG GLU 67 13.990 -12.284 3.123 1231 H CYS 68 H CYS 68 13.260 -7.350 2.667 1232 HA CYS 68 HA CYS 68 11.161 -7.253 4.802 1233 1HB CYS 68 1HB CYS 68 12.218 -5.250 2.798 1234 2HB CYS 68 2HB CYS 68 10.530 -5.129 3.357 1235 HG CYS 68 HG CYS 68 11.801 -3.520 4.844 1236 H ASP 69 H ASP 69 9.115 -7.893 4.444 1237 HA ASP 69 HA ASP 69 8.655 -9.532 2.145 1238 1HB ASP 69 1HB ASP 69 7.951 -10.159 4.356 1239 2HB ASP 69 2HB ASP 69 6.831 -8.776 4.457 1240 H PHE 70 H PHE 70 6.831 -9.460 0.751 1241 HA PHE 70 HA PHE 70 6.295 -7.179 -0.678 1242 1HB PHE 70 1HB PHE 70 5.596 -9.433 -1.341 1243 2HB PHE 70 2HB PHE 70 4.390 -9.467 -0.068 1244 HD1 PHE 70 HD1 PHE 70 2.207 -8.450 -0.474 1245 HD2 PHE 70 HD2 PHE 70 5.482 -7.612 -3.105 1246 HE1 PHE 70 HE1 PHE 70 0.701 -7.137 -1.929 1247 HE2 PHE 70 HE2 PHE 70 3.958 -6.468 -4.681 1248 HZ PHE 70 HZ PHE 70 1.599 -6.089 -4.036 1249 H GLN 71 H GLN 71 4.532 -8.212 2.290 1250 HA GLN 71 HA GLN 71 2.630 -6.106 2.304 1251 1HB GLN 71 1HB GLN 71 3.998 -7.633 4.551 1252 2HB GLN 71 2HB GLN 71 2.669 -6.507 4.838 1253 1HG GLN 71 1HG GLN 71 2.377 -8.844 2.904 1254 2HG GLN 71 2HG GLN 71 2.145 -9.012 4.645 1255 1HE2 GLN 71 1HE2 GLN 71 -0.092 -9.549 4.445 1256 2HE2 GLN 71 2HE2 GLN 71 -1.265 -8.301 4.019 1257 H GLU 72 H GLU 72 6.027 -6.135 3.490 1258 HA GLU 72 HA GLU 72 5.749 -3.547 4.804 1259 1HB GLU 72 1HB GLU 72 8.353 -4.857 3.968 1260 2HB GLU 72 2HB GLU 72 8.056 -3.702 5.273 1261 1HG GLU 72 1HG GLU 72 7.424 -6.659 5.169 1262 2HG GLU 72 2HG GLU 72 8.360 -5.778 6.359 1263 H PHE 73 H PHE 73 6.998 -4.779 1.725 1264 HA PHE 73 HA PHE 73 7.808 -2.308 0.541 1265 1HB PHE 73 1HB PHE 73 8.443 -4.128 -0.650 1266 2HB PHE 73 2HB PHE 73 6.943 -4.997 -0.414 1267 HD1 PHE 73 HD1 PHE 73 8.684 -2.454 -2.501 1268 HD2 PHE 73 HD2 PHE 73 5.062 -4.740 -1.965 1269 HE1 PHE 73 HE1 PHE 73 8.033 -2.044 -4.894 1270 HE2 PHE 73 HE2 PHE 73 4.392 -4.189 -4.298 1271 HZ PHE 73 HZ PHE 73 5.948 -2.982 -5.778 1272 H MET 74 H MET 74 4.552 -3.910 0.475 1273 HA MET 74 HA MET 74 3.276 -1.751 -0.834 1274 1HB MET 74 1HB MET 74 2.179 -3.884 1.039 1275 2HB MET 74 2HB MET 74 1.165 -2.669 0.266 1276 1HG MET 74 1HG MET 74 2.833 -4.772 -1.137 1277 2HG MET 74 2HG MET 74 1.083 -4.704 -1.011 1278 1HE MET 74 1HE MET 74 -0.391 -2.706 -2.255 1279 2HE MET 74 2HE MET 74 0.706 -1.444 -1.632 1280 3HE MET 74 3HE MET 74 0.360 -1.545 -3.366 1281 H ALA 75 H ALA 75 3.827 -2.278 2.634 1282 HA ALA 75 HA ALA 75 2.399 0.004 3.537 1283 1HB ALA 75 1HB ALA 75 4.935 -1.139 4.770 1284 2HB ALA 75 2HB ALA 75 3.726 -0.114 5.555 1285 3HB ALA 75 3HB ALA 75 3.289 -1.753 5.035 1286 H PHE 76 H PHE 76 5.781 -0.279 2.354 1287 HA PHE 76 HA PHE 76 6.525 2.452 2.889 1288 1HB PHE 76 1HB PHE 76 8.228 0.820 2.483 1289 2HB PHE 76 2HB PHE 76 7.592 0.456 0.887 1290 HD1 PHE 76 HD1 PHE 76 9.207 3.174 2.911 1291 HD2 PHE 76 HD2 PHE 76 8.150 1.755 -1.032 1292 HE1 PHE 76 HE1 PHE 76 10.628 4.921 1.892 1293 HE2 PHE 76 HE2 PHE 76 9.543 3.519 -2.036 1294 HZ PHE 76 HZ PHE 76 10.811 5.099 -0.586 1295 H VAL 77 H VAL 77 5.427 0.759 -0.067 1296 HA VAL 77 HA VAL 77 5.249 2.998 -1.777 1297 HB VAL 77 HB VAL 77 3.747 0.370 -1.678 1298 1HG1 VAL 77 1HG1 VAL 77 3.183 0.777 -4.075 1299 2HG1 VAL 77 2HG1 VAL 77 2.455 2.020 -3.052 1300 3HG1 VAL 77 3HG1 VAL 77 3.916 2.394 -3.979 1301 1HG2 VAL 77 1HG2 VAL 77 5.307 -0.301 -3.459 1302 2HG2 VAL 77 2HG2 VAL 77 6.060 1.307 -3.447 1303 3HG2 VAL 77 3HG2 VAL 77 6.238 0.232 -2.055 1304 H ALA 78 H ALA 78 2.858 1.674 0.554 1305 HA ALA 78 HA ALA 78 0.734 3.412 -0.122 1306 1HB ALA 78 1HB ALA 78 1.313 2.110 2.565 1307 2HB ALA 78 2HB ALA 78 -0.225 2.817 2.039 1308 3HB ALA 78 3HB ALA 78 0.410 1.383 1.216 1309 H MET 79 H MET 79 3.226 3.791 2.524 1310 HA MET 79 HA MET 79 2.200 6.326 3.327 1311 1HB MET 79 1HB MET 79 4.396 6.815 4.311 1312 2HB MET 79 2HB MET 79 3.725 5.250 4.806 1313 1HG MET 79 1HG MET 79 5.251 4.096 3.372 1314 2HG MET 79 2HG MET 79 5.831 5.614 2.647 1315 1HE MET 79 1HE MET 79 6.143 3.160 5.646 1316 2HE MET 79 2HE MET 79 7.104 4.134 6.787 1317 3HE MET 79 3HE MET 79 5.405 4.567 6.464 1318 H ILE 80 H ILE 80 4.624 5.507 0.838 1319 HA ILE 80 HA ILE 80 5.315 8.170 0.107 1320 HB ILE 80 HB ILE 80 5.224 5.578 -1.476 1321 1HG1 ILE 80 1HG1 ILE 80 6.768 5.791 0.589 1322 2HG1 ILE 80 2HG1 ILE 80 7.431 5.214 -0.938 1323 1HG2 ILE 80 1HG2 ILE 80 5.195 7.330 -3.112 1324 2HG2 ILE 80 2HG2 ILE 80 6.455 8.236 -2.248 1325 3HG2 ILE 80 3HG2 ILE 80 6.834 6.687 -3.037 1326 1HD1 ILE 80 1HD1 ILE 80 8.869 6.802 0.334 1327 2HD1 ILE 80 2HD1 ILE 80 8.538 7.318 -1.327 1328 3HD1 ILE 80 3HD1 ILE 80 7.677 8.083 0.038 1329 H THR 81 H THR 81 2.862 5.960 -1.293 1330 HA THR 81 HA THR 81 1.859 7.781 -3.205 1331 HB THR 81 HB THR 81 0.384 5.519 -1.768 1332 HG1 THR 81 HG1 THR 81 2.232 4.776 -2.780 1333 1HG2 THR 81 1HG2 THR 81 -0.945 5.427 -3.884 1334 2HG2 THR 81 2HG2 THR 81 -1.169 6.977 -3.037 1335 3HG2 THR 81 3HG2 THR 81 -0.128 6.881 -4.449 1336 H THR 82 H THR 82 0.939 7.238 0.238 1337 HA THR 82 HA THR 82 -1.323 8.982 0.208 1338 HB THR 82 HB THR 82 0.449 8.221 2.560 1339 HG1 THR 82 HG1 THR 82 -0.373 6.401 1.540 1340 1HG2 THR 82 1HG2 THR 82 -1.095 10.097 3.084 1341 2HG2 THR 82 2HG2 THR 82 -2.452 9.172 2.400 1342 3HG2 THR 82 3HG2 THR 82 -1.629 8.595 3.861 1343 H ALA 83 H ALA 83 2.126 9.520 1.119 1344 HA ALA 83 HA ALA 83 1.954 12.262 1.748 1345 1HB ALA 83 1HB ALA 83 4.373 12.303 1.262 1346 2HB ALA 83 2HB ALA 83 3.935 10.863 2.198 1347 3HB ALA 83 3HB ALA 83 4.259 10.731 0.457 1348 H CYS 84 H CYS 84 2.441 10.658 -1.412 1349 HA CYS 84 HA CYS 84 2.628 13.057 -2.964 1350 1HB CYS 84 1HB CYS 84 3.333 10.847 -3.782 1351 2HB CYS 84 2HB CYS 84 1.648 10.281 -3.750 1352 HG CYS 84 HG CYS 84 2.978 12.781 -5.444 1353 H HIS 85 H HIS 85 -0.134 10.895 -2.462 1354 HA HIS 85 HA HIS 85 -2.201 12.112 -3.794 1355 1HB HIS 85 1HB HIS 85 -2.463 9.933 -2.767 1356 2HB HIS 85 2HB HIS 85 -2.130 10.585 -1.172 1357 HD1 HIS 85 HD1 HIS 85 -5.027 10.388 -3.663 1358 HD2 HIS 85 HD2 HIS 85 -4.023 11.926 0.125 1359 HE1 HIS 85 HE1 HIS 85 -7.186 11.296 -2.629 1360 H GLU 86 H GLU 86 -1.096 12.768 -0.471 1361 HA GLU 86 HA GLU 86 -2.933 14.403 0.560 1362 1HB GLU 86 1HB GLU 86 -0.772 13.781 1.633 1363 2HB GLU 86 2HB GLU 86 0.072 14.945 0.602 1364 1HG GLU 86 1HG GLU 86 -0.285 15.834 2.863 1365 2HG GLU 86 2HG GLU 86 -1.099 16.817 1.650 1366 H PHE 87 H PHE 87 -0.625 15.401 -1.946 1367 HA PHE 87 HA PHE 87 -2.281 17.910 -2.297 1368 1HB PHE 87 1HB PHE 87 0.134 18.401 -1.828 1369 2HB PHE 87 2HB PHE 87 0.550 17.552 -3.310 1370 HD1 PHE 87 HD1 PHE 87 -0.230 18.464 -5.563 1371 HD2 PHE 87 HD2 PHE 87 -1.171 20.492 -1.863 1372 HE1 PHE 87 HE1 PHE 87 -1.172 20.348 -6.830 1373 HE2 PHE 87 HE2 PHE 87 -2.117 22.380 -3.156 1374 HZ PHE 87 HZ PHE 87 -2.096 22.327 -5.641 1375 H PHE 88 H PHE 88 -0.408 15.388 -3.956 1376 HA PHE 88 HA PHE 88 -1.059 16.135 -6.551 1377 1HB PHE 88 1HB PHE 88 0.806 14.609 -5.610 1378 2HB PHE 88 2HB PHE 88 -0.383 13.304 -5.775 1379 HD1 PHE 88 HD1 PHE 88 1.604 15.904 -7.576 1380 HD2 PHE 88 HD2 PHE 88 -0.881 12.403 -8.013 1381 HE1 PHE 88 HE1 PHE 88 2.315 15.685 -9.939 1382 HE2 PHE 88 HE2 PHE 88 -0.175 12.199 -10.370 1383 HZ PHE 88 HZ PHE 88 1.440 13.823 -11.337 1384 H GLU 89 H GLU 89 -3.322 14.589 -4.367 1385 HA GLU 89 HA GLU 89 -4.805 13.193 -6.366 1386 1HB GLU 89 1HB GLU 89 -6.586 13.282 -4.901 1387 2HB GLU 89 2HB GLU 89 -5.167 13.160 -3.880 1388 1HG GLU 89 1HG GLU 89 -5.323 15.493 -3.251 1389 2HG GLU 89 2HG GLU 89 -6.648 15.775 -4.407 1390 H HIS 90 H HIS 90 -4.452 16.629 -5.534 1391 HA HIS 90 HA HIS 90 -6.476 17.526 -7.463 1392 1HB HIS 90 1HB HIS 90 -4.359 19.161 -6.013 1393 2HB HIS 90 2HB HIS 90 -5.882 19.724 -6.708 1394 HD1 HIS 90 HD1 HIS 90 -4.382 18.077 -3.652 1395 HD2 HIS 90 HD2 HIS 90 -8.160 19.067 -5.216 1396 HE1 HIS 90 HE1 HIS 90 -6.059 17.876 -1.712 1397 H GLU 91 H GLU 91 -5.289 16.111 -9.128 1398 HA GLU 91 HA GLU 91 -2.743 16.998 -10.125 1399 1HB GLU 91 1HB GLU 91 -4.928 15.404 -11.553 1400 2HB GLU 91 2HB GLU 91 -3.255 15.613 -12.103 1401 1HG GLU 91 1HG GLU 91 -2.466 14.600 -9.940 1402 2HG GLU 91 2HG GLU 91 -4.159 14.235 -9.539 1403 1H LYS 62 H1 LYS 62 -29.900 -21.546 17.540 1404 2H LYS 62 H2 LYS 62 -29.773 -22.047 15.972 1405 3H LYS 62 H3 LYS 62 -28.617 -21.066 16.640 1406 HA LYS 62 HA LYS 62 -29.203 -23.822 17.426 1407 1HB LYS 62 1HB LYS 62 -26.734 -22.621 16.096 1408 2HB LYS 62 2HB LYS 62 -26.904 -24.292 16.648 1409 1HG LYS 62 1HG LYS 62 -28.750 -24.665 15.040 1410 2HG LYS 62 2HG LYS 62 -28.639 -22.986 14.507 1411 1HD LYS 62 1HD LYS 62 -27.514 -24.440 12.917 1412 2HD LYS 62 2HD LYS 62 -26.390 -23.298 13.654 1413 1HE LYS 62 1HE LYS 62 -25.415 -25.558 13.400 1414 2HE LYS 62 2HE LYS 62 -25.454 -25.053 15.090 1415 1HZ LYS 62 1HZ LYS 62 -26.182 -27.306 14.794 1416 2HZ LYS 62 2HZ LYS 62 -27.422 -26.388 15.370 1417 3HZ LYS 62 3HZ LYS 62 -27.396 -26.838 13.783 1418 H ARG 63 H ARG 63 -27.296 -24.646 18.853 1419 HA ARG 63 HA ARG 63 -26.975 -22.843 21.151 1420 1HB ARG 63 1HB ARG 63 -25.856 -25.621 20.603 1421 2HB ARG 63 2HB ARG 63 -25.783 -24.755 22.136 1422 1HG ARG 63 1HG ARG 63 -28.296 -25.774 20.728 1423 2HG ARG 63 2HG ARG 63 -27.544 -26.426 22.181 1424 1HD ARG 63 1HD ARG 63 -28.954 -23.742 21.868 1425 2HD ARG 63 2HD ARG 63 -29.493 -25.105 22.828 1426 HE ARG 63 HE ARG 63 -27.565 -23.062 23.549 1427 1HH1 ARG 63 2HH2 ARG 63 -28.470 -26.415 24.184 1428 2HH1 ARG 63 1HH2 ARG 63 -27.758 -26.458 25.775 1429 1HH2 ARG 63 2HH1 ARG 63 -26.613 -23.103 25.610 1430 2HH2 ARG 63 1HH1 ARG 63 -26.676 -24.539 26.593 1431 H LEU 64 H LEU 64 -25.978 -21.263 19.550 1432 HA LEU 64 HA LEU 64 -24.191 -20.038 18.943 1433 1HB LEU 64 1HB LEU 64 -22.366 -21.889 20.517 1434 2HB LEU 64 2HB LEU 64 -22.061 -20.225 20.029 1435 HG LEU 64 HG LEU 64 -24.146 -21.103 22.071 1436 1HD1 LEU 64 1HD1 LEU 64 -21.820 -21.332 22.843 1437 2HD1 LEU 64 2HD1 LEU 64 -21.492 -19.646 22.386 1438 3HD1 LEU 64 3HD1 LEU 64 -22.653 -20.010 23.680 1439 1HD2 LEU 64 1HD2 LEU 64 -24.915 -19.070 20.913 1440 2HD2 LEU 64 2HD2 LEU 64 -24.344 -18.658 22.532 1441 3HD2 LEU 64 3HD2 LEU 64 -23.318 -18.318 21.124 1442 H ARG 65 H ARG 65 -21.603 -20.726 18.138 1443 HA ARG 65 HA ARG 65 -20.488 -21.378 16.328 1444 1HB ARG 65 1HB ARG 65 -21.358 -23.728 17.031 1445 2HB ARG 65 2HB ARG 65 -22.441 -23.598 15.647 1446 1HG ARG 65 1HG ARG 65 -19.388 -23.464 15.627 1447 2HG ARG 65 2HG ARG 65 -20.403 -24.820 15.136 1448 1HD ARG 65 1HD ARG 65 -19.866 -23.901 13.066 1449 2HD ARG 65 2HD ARG 65 -21.440 -23.201 13.390 1450 HE ARG 65 HE ARG 65 -20.483 -21.090 13.544 1451 1HH1 ARG 65 2HH2 ARG 65 -17.904 -23.483 13.835 1452 2HH1 ARG 65 1HH2 ARG 65 -16.621 -22.330 13.575 1453 1HH2 ARG 65 2HH1 ARG 65 -18.848 -19.598 13.094 1454 2HH2 ARG 65 1HH1 ARG 65 -17.170 -20.065 13.219 1455 H ARG 66 H ARG 66 -23.914 -21.977 15.471 1456 HA ARG 66 HA ARG 66 -25.220 -21.109 13.742 1457 1HB ARG 66 1HB ARG 66 -24.109 -18.680 15.190 1458 2HB ARG 66 2HB ARG 66 -25.533 -18.644 14.138 1459 1HG ARG 66 1HG ARG 66 -26.762 -20.160 15.532 1460 2HG ARG 66 2HG ARG 66 -25.346 -20.485 16.538 1461 1HD ARG 66 1HD ARG 66 -25.291 -18.087 17.213 1462 2HD ARG 66 2HD ARG 66 -26.836 -17.853 16.357 1463 HE ARG 66 HE ARG 66 -27.206 -20.069 18.038 1464 1HH1 ARG 66 1HH2 ARG 66 -26.461 -16.643 18.495 1465 2HH1 ARG 66 2HH2 ARG 66 -27.119 -16.591 20.109 1466 1HH2 ARG 66 2HH1 ARG 66 -28.039 -20.036 20.024 1467 2HH2 ARG 66 1HH1 ARG 66 -28.078 -18.589 21.024 1468 H SER 67 H SER 67 -23.304 -22.001 12.254 1469 HA SER 67 HA SER 67 -21.380 -20.631 11.103 1470 1HB SER 67 1HB SER 67 -23.194 -22.349 9.394 1471 2HB SER 67 2HB SER 67 -21.420 -22.302 9.457 1472 HG SER 67 HG SER 67 -22.243 -24.127 10.580 1473 H ALA 68 H ALA 68 -24.778 -20.112 10.320 1474 HA ALA 68 HA ALA 68 -24.406 -18.718 7.835 1475 1HB ALA 68 1HB ALA 68 -26.739 -18.680 9.788 1476 2HB ALA 68 2HB ALA 68 -26.772 -18.134 8.098 1477 3HB ALA 68 3HB ALA 68 -26.505 -19.849 8.465 1478 H HIS 69 H HIS 69 -23.631 -17.706 11.012 1479 HA HIS 69 HA HIS 69 -24.358 -15.099 11.259 1480 1HB HIS 69 1HB HIS 69 -22.117 -14.772 12.380 1481 2HB HIS 69 2HB HIS 69 -23.132 -16.091 12.962 1482 HD1 HIS 69 HD1 HIS 69 -20.926 -16.627 9.889 1483 HD2 HIS 69 HD2 HIS 69 -21.103 -17.471 14.002 1484 HE1 HIS 69 HE1 HIS 69 -19.122 -18.399 10.358 1485 H ALA 70 H ALA 70 -24.457 -13.551 9.813 1486 HA ALA 70 HA ALA 70 -23.989 -11.999 8.296 1487 1HB ALA 70 1HB ALA 70 -21.771 -11.213 7.887 1488 2HB ALA 70 2HB ALA 70 -21.933 -11.583 9.611 1489 3HB ALA 70 3HB ALA 70 -21.034 -12.686 8.549 1490 H ARG 71 H ARG 71 -21.615 -14.509 7.485 1491 HA ARG 71 HA ARG 71 -21.233 -15.828 5.784 1492 1HB ARG 71 1HB ARG 71 -23.358 -16.705 6.541 1493 2HB ARG 71 2HB ARG 71 -24.251 -15.677 5.420 1494 1HG ARG 71 1HG ARG 71 -24.046 -18.048 4.712 1495 2HG ARG 71 2HG ARG 71 -23.449 -16.899 3.513 1496 1HD ARG 71 1HD ARG 71 -22.030 -18.984 3.859 1497 2HD ARG 71 2HD ARG 71 -21.198 -17.438 3.936 1498 HE ARG 71 HE ARG 71 -22.143 -18.634 6.483 1499 1HH1 ARG 71 2HH1 ARG 71 -19.300 -17.914 4.387 1500 2HH1 ARG 71 1HH1 ARG 71 -18.185 -18.264 5.666 1501 1HH2 ARG 71 2HH2 ARG 71 -20.663 -18.963 8.096 1502 2HH2 ARG 71 1HH2 ARG 71 -18.940 -18.852 7.796 1503 H LYS 72 H LYS 72 -23.470 -13.378 4.476 1504 HA LYS 72 HA LYS 72 -23.221 -13.763 1.810 1505 1HB LYS 72 1HB LYS 72 -23.383 -11.080 3.236 1506 2HB LYS 72 2HB LYS 72 -23.728 -11.352 1.518 1507 1HG LYS 72 1HG LYS 72 -25.509 -13.001 2.166 1508 2HG LYS 72 2HG LYS 72 -25.232 -12.587 3.868 1509 1HD LYS 72 1HD LYS 72 -25.799 -10.212 3.383 1510 2HD LYS 72 2HD LYS 72 -26.069 -10.638 1.679 1511 1HE LYS 72 1HE LYS 72 -28.204 -10.491 2.825 1512 2HE LYS 72 2HE LYS 72 -27.906 -12.170 2.348 1513 1HZ LYS 72 1HZ LYS 72 -28.739 -11.987 4.579 1514 2HZ LYS 72 2HZ LYS 72 -27.217 -12.615 4.597 1515 3HZ LYS 72 3HZ LYS 72 -27.467 -11.044 5.029 1516 H GLU 73 H GLU 73 -20.766 -12.132 3.773 1517 HA GLU 73 HA GLU 73 -19.115 -10.934 1.907 1518 1HB GLU 73 1HB GLU 73 -18.184 -12.674 4.238 1519 2HB GLU 73 2HB GLU 73 -17.266 -11.430 3.391 1520 1HG GLU 73 1HG GLU 73 -17.928 -10.128 5.110 1521 2HG GLU 73 2HG GLU 73 -19.377 -9.904 4.131 1522 H THR 74 H THR 74 -19.424 -14.388 2.602 1523 HA THR 74 HA THR 74 -17.262 -15.513 1.284 1524 HB THR 74 HB THR 74 -20.115 -16.585 1.261 1525 HG1 THR 74 HG1 THR 74 -19.553 -16.078 3.344 1526 1HG2 THR 74 1HG2 THR 74 -17.404 -17.990 1.212 1527 2HG2 THR 74 2HG2 THR 74 -18.982 -18.791 1.346 1528 3HG2 THR 74 3HG2 THR 74 -18.561 -17.915 -0.135 1529 H GLU 75 H GLU 75 -20.264 -14.186 -0.168 1530 HA GLU 75 HA GLU 75 -19.970 -15.362 -2.725 1531 1HB GLU 75 1HB GLU 75 -21.272 -12.722 -1.921 1532 2HB GLU 75 2HB GLU 75 -21.491 -13.533 -3.475 1533 1HG GLU 75 1HG GLU 75 -22.335 -14.624 -0.747 1534 2HG GLU 75 2HG GLU 75 -23.395 -14.005 -2.014 1535 H PHE 76 H PHE 76 -18.229 -12.719 -1.293 1536 HA PHE 76 HA PHE 76 -17.003 -12.025 -3.933 1537 1HB PHE 76 1HB PHE 76 -16.529 -10.424 -1.447 1538 2HB PHE 76 2HB PHE 76 -16.600 -9.920 -3.124 1539 HD1 PHE 76 HD1 PHE 76 -19.029 -10.255 -4.276 1540 HD2 PHE 76 HD2 PHE 76 -18.319 -9.899 -0.041 1541 HE1 PHE 76 HE1 PHE 76 -21.450 -10.005 -3.891 1542 HE2 PHE 76 HE2 PHE 76 -20.755 -9.643 0.339 1543 HZ PHE 76 HZ PHE 76 -22.317 -9.630 -1.563 1544 H LEU 77 H LEU 77 -16.314 -12.703 -0.500 1545 HA LEU 77 HA LEU 77 -13.493 -12.843 -0.726 1546 1HB LEU 77 1HB LEU 77 -15.519 -13.786 1.298 1547 2HB LEU 77 2HB LEU 77 -13.838 -14.264 1.467 1548 HG LEU 77 HG LEU 77 -14.567 -12.199 2.745 1549 1HD1 LEU 77 1HD1 LEU 77 -12.429 -11.057 2.422 1550 2HD1 LEU 77 2HD1 LEU 77 -12.198 -12.812 2.390 1551 3HD1 LEU 77 3HD1 LEU 77 -12.176 -11.885 0.877 1552 1HD2 LEU 77 1HD2 LEU 77 -14.556 -10.043 1.678 1553 2HD2 LEU 77 2HD2 LEU 77 -14.349 -10.762 0.077 1554 3HD2 LEU 77 3HD2 LEU 77 -15.851 -11.031 0.997 1555 H ARG 78 H ARG 78 -15.844 -15.110 -1.860 1556 HA ARG 78 HA ARG 78 -14.591 -17.533 -2.051 1557 1HB ARG 78 1HB ARG 78 -16.711 -16.791 -3.144 1558 2HB ARG 78 2HB ARG 78 -15.732 -16.049 -4.427 1559 1HG ARG 78 1HG ARG 78 -14.683 -18.308 -4.833 1560 2HG ARG 78 2HG ARG 78 -15.709 -18.985 -3.559 1561 1HD ARG 78 1HD ARG 78 -16.637 -17.773 -6.207 1562 2HD ARG 78 2HD ARG 78 -16.521 -19.469 -5.743 1563 HE ARG 78 HE ARG 78 -18.402 -19.358 -4.430 1564 1HH1 ARG 78 1HH1 ARG 78 -17.655 -16.106 -5.662 1565 2HH1 ARG 78 2HH1 ARG 78 -19.089 -15.385 -5.035 1566 1HH2 ARG 78 2HH2 ARG 78 -20.423 -18.510 -3.890 1567 2HH2 ARG 78 1HH2 ARG 78 -20.833 -16.854 -4.231 1568 H LEU 79 H LEU 79 -13.551 -14.478 -3.671 1569 HA LEU 79 HA LEU 79 -11.623 -15.474 -5.416 1570 1HB LEU 79 1HB LEU 79 -10.616 -13.326 -5.380 1571 2HB LEU 79 2HB LEU 79 -12.354 -13.141 -5.191 1572 HG LEU 79 HG LEU 79 -11.679 -13.086 -2.564 1573 1HD1 LEU 79 1HD1 LEU 79 -9.601 -11.811 -2.241 1574 2HD1 LEU 79 2HD1 LEU 79 -9.165 -13.305 -3.077 1575 3HD1 LEU 79 3HD1 LEU 79 -9.288 -11.797 -3.985 1576 1HD2 LEU 79 1HD2 LEU 79 -12.931 -11.368 -3.789 1577 2HD2 LEU 79 2HD2 LEU 79 -11.741 -10.664 -2.685 1578 3HD2 LEU 79 3HD2 LEU 79 -11.409 -10.713 -4.432 1579 H LYS 80 H LYS 80 -11.310 -15.018 -1.876 1580 HA LYS 80 HA LYS 80 -8.479 -15.509 -1.802 1581 1HB LYS 80 1HB LYS 80 -9.579 -14.277 -0.003 1582 2HB LYS 80 2HB LYS 80 -10.642 -15.644 0.343 1583 1HG LYS 80 1HG LYS 80 -8.918 -15.503 2.008 1584 2HG LYS 80 2HG LYS 80 -8.732 -17.006 1.103 1585 1HD LYS 80 1HD LYS 80 -6.907 -15.940 -0.259 1586 2HD LYS 80 2HD LYS 80 -7.102 -14.455 0.691 1587 1HE LYS 80 1HE LYS 80 -6.295 -17.201 1.775 1588 2HE LYS 80 2HE LYS 80 -5.187 -15.865 1.428 1589 1HZ LYS 80 1HZ LYS 80 -6.332 -14.558 3.067 1590 2HZ LYS 80 2HZ LYS 80 -7.341 -15.814 3.420 1591 3HZ LYS 80 3HZ LYS 80 -5.728 -15.943 3.724 1592 H ARG 81 H ARG 81 -11.402 -17.478 -1.154 1593 HA ARG 81 HA ARG 81 -10.068 -19.890 -0.550 1594 1HB ARG 81 1HB ARG 81 -12.429 -19.643 -0.090 1595 2HB ARG 81 2HB ARG 81 -12.794 -19.373 -1.799 1596 1HG ARG 81 1HG ARG 81 -13.436 -21.624 -1.115 1597 2HG ARG 81 2HG ARG 81 -12.203 -21.668 -2.368 1598 1HD ARG 81 1HD ARG 81 -10.466 -22.052 -0.483 1599 2HD ARG 81 2HD ARG 81 -11.834 -22.149 0.623 1600 HE ARG 81 HE ARG 81 -12.325 -24.246 -0.171 1601 1HH1 ARG 81 2HH2 ARG 81 -10.038 -22.695 -2.450 1602 2HH1 ARG 81 1HH2 ARG 81 -9.760 -24.171 -3.325 1603 1HH2 ARG 81 2HH1 ARG 81 -11.919 -26.145 -1.343 1604 2HH2 ARG 81 1HH1 ARG 81 -10.812 -26.151 -2.688 1605 H THR 82 H THR 82 -11.074 -18.496 -3.667 1606 HA THR 82 HA THR 82 -10.405 -20.715 -5.298 1607 HB THR 82 HB THR 82 -10.369 -17.761 -6.068 1608 HG1 THR 82 HG1 THR 82 -12.344 -18.363 -5.140 1609 1HG2 THR 82 1HG2 THR 82 -10.965 -18.631 -8.302 1610 2HG2 THR 82 2HG2 THR 82 -9.378 -19.238 -7.799 1611 3HG2 THR 82 3HG2 THR 82 -10.804 -20.296 -7.709 1612 H ARG 83 H ARG 83 -8.445 -17.709 -4.618 1613 HA ARG 83 HA ARG 83 -6.145 -18.719 -5.997 1614 1HB ARG 83 1HB ARG 83 -6.696 -16.544 -3.968 1615 2HB ARG 83 2HB ARG 83 -5.027 -16.951 -4.315 1616 1HG ARG 83 1HG ARG 83 -6.982 -16.311 -6.548 1617 2HG ARG 83 2HG ARG 83 -6.086 -15.054 -5.683 1618 1HD ARG 83 1HD ARG 83 -3.935 -16.036 -6.325 1619 2HD ARG 83 2HD ARG 83 -4.763 -17.376 -7.151 1620 HE ARG 83 HE ARG 83 -5.679 -14.897 -8.188 1621 1HH1 ARG 83 1HH2 ARG 83 -2.704 -16.918 -8.180 1622 2HH1 ARG 83 2HH2 ARG 83 -2.284 -16.489 -9.798 1623 1HH2 ARG 83 2HH1 ARG 83 -5.030 -14.294 -10.278 1624 2HH2 ARG 83 1HH1 ARG 83 -3.569 -14.940 -10.984 1625 H LEU 84 H LEU 84 -7.159 -18.979 -2.580 1626 HA LEU 84 HA LEU 84 -4.797 -20.194 -1.603 1627 1HB LEU 84 1HB LEU 84 -6.544 -19.215 -0.182 1628 2HB LEU 84 2HB LEU 84 -7.699 -20.442 -0.722 1629 HG LEU 84 HG LEU 84 -6.377 -22.210 0.391 1630 1HD1 LEU 84 1HD1 LEU 84 -4.618 -19.882 1.296 1631 2HD1 LEU 84 2HD1 LEU 84 -4.572 -21.516 1.991 1632 3HD1 LEU 84 3HD1 LEU 84 -4.116 -21.273 0.303 1633 1HD2 LEU 84 1HD2 LEU 84 -6.915 -21.528 2.693 1634 2HD2 LEU 84 2HD2 LEU 84 -7.053 -19.833 2.176 1635 3HD2 LEU 84 3HD2 LEU 84 -8.205 -21.047 1.576 1636 H GLY 85 H GLY 85 -7.676 -21.525 -3.221 1637 1HA GLY 85 1HA GLY 85 -7.299 -24.264 -3.038 1638 2HA GLY 85 2HA GLY 85 -7.929 -23.404 -4.455 1639 H LEU 86 H LEU 86 -5.218 -21.950 -4.811 1640 HA LEU 86 HA LEU 86 -4.016 -23.973 -6.514 1641 1HB LEU 86 1HB LEU 86 -2.932 -21.287 -5.635 1642 2HB LEU 86 2HB LEU 86 -2.348 -22.254 -6.984 1643 HG LEU 86 HG LEU 86 -5.161 -21.045 -6.824 1644 1HD1 LEU 86 1HD1 LEU 86 -4.294 -19.509 -8.595 1645 2HD1 LEU 86 2HD1 LEU 86 -3.550 -19.282 -7.011 1646 3HD1 LEU 86 3HD1 LEU 86 -2.661 -20.139 -8.280 1647 1HD2 LEU 86 1HD2 LEU 86 -3.697 -22.472 -9.083 1648 2HD2 LEU 86 2HD2 LEU 86 -5.147 -23.050 -8.232 1649 3HD2 LEU 86 3HD2 LEU 86 -5.239 -21.607 -9.245 1650 H GLU 87 H GLU 87 -3.602 -23.042 -3.167 1651 HA GLU 87 HA GLU 87 -2.138 -23.626 -1.558 1652 1HB GLU 87 1HB GLU 87 -2.249 -26.249 -3.101 1653 2HB GLU 87 2HB GLU 87 -1.704 -26.055 -1.427 1654 1HG GLU 87 1HG GLU 87 -3.943 -25.134 -0.808 1655 2HG GLU 87 2HG GLU 87 -4.497 -25.404 -2.466 1656 1H LYS 62 H1 LYS 62 18.313 32.755 12.661 1657 2H LYS 62 H2 LYS 62 19.430 33.898 13.064 1658 3H LYS 62 H3 LYS 62 19.815 32.718 11.983 1659 HA LYS 62 HA LYS 62 17.816 34.825 11.637 1660 1HB LYS 62 1HB LYS 62 20.219 35.547 11.535 1661 2HB LYS 62 2HB LYS 62 20.455 34.461 10.158 1662 1HG LYS 62 1HG LYS 62 18.669 35.747 8.916 1663 2HG LYS 62 2HG LYS 62 18.523 36.821 10.322 1664 1HD LYS 62 1HD LYS 62 20.892 37.506 10.053 1665 2HD LYS 62 2HD LYS 62 21.092 36.341 8.734 1666 1HE LYS 62 1HE LYS 62 20.798 38.575 7.812 1667 2HE LYS 62 2HE LYS 62 19.419 37.558 7.367 1668 1HZ LYS 62 1HZ LYS 62 18.760 39.735 8.094 1669 2HZ LYS 62 2HZ LYS 62 18.172 38.591 9.123 1670 3HZ LYS 62 3HZ LYS 62 19.468 39.511 9.566 1671 H ARG 63 H ARG 63 19.678 32.292 9.866 1672 HA ARG 63 HA ARG 63 17.461 31.912 7.927 1673 1HB ARG 63 1HB ARG 63 20.121 30.476 8.167 1674 2HB ARG 63 2HB ARG 63 18.970 30.368 6.836 1675 1HG ARG 63 1HG ARG 63 20.617 32.824 7.611 1676 2HG ARG 63 2HG ARG 63 20.875 31.750 6.240 1677 1HD ARG 63 1HD ARG 63 19.832 33.709 5.377 1678 2HD ARG 63 2HD ARG 63 18.612 32.417 5.343 1679 HE ARG 63 HE ARG 63 18.555 33.930 7.796 1680 1HH1 ARG 63 1HH1 ARG 63 17.585 34.299 4.436 1681 2HH1 ARG 63 2HH1 ARG 63 16.052 35.041 4.809 1682 1HH2 ARG 63 2HH2 ARG 63 16.490 34.664 8.323 1683 2HH2 ARG 63 1HH2 ARG 63 15.460 35.353 7.091 1684 H LEU 64 H LEU 64 16.175 31.525 9.997 1685 HA LEU 64 HA LEU 64 16.290 28.913 11.201 1686 1HB LEU 64 1HB LEU 64 13.796 30.583 10.720 1687 2HB LEU 64 2HB LEU 64 14.016 29.301 11.907 1688 HG LEU 64 HG LEU 64 15.441 32.008 11.924 1689 1HD1 LEU 64 1HD1 LEU 64 13.042 32.105 12.511 1690 2HD1 LEU 64 2HD1 LEU 64 13.291 30.848 13.741 1691 3HD1 LEU 64 3HD1 LEU 64 14.075 32.433 13.914 1692 1HD2 LEU 64 1HD2 LEU 64 15.595 29.670 13.881 1693 2HD2 LEU 64 2HD2 LEU 64 16.929 30.317 12.896 1694 3HD2 LEU 64 3HD2 LEU 64 16.228 31.301 14.185 1695 H ARG 65 H ARG 65 14.951 30.156 8.177 1696 HA ARG 65 HA ARG 65 13.793 27.639 7.301 1697 1HB ARG 65 1HB ARG 65 13.633 28.777 5.155 1698 2HB ARG 65 2HB ARG 65 12.950 29.745 6.452 1699 1HG ARG 65 1HG ARG 65 15.806 30.420 5.983 1700 2HG ARG 65 2HG ARG 65 14.845 30.505 4.515 1701 1HD ARG 65 1HD ARG 65 14.783 32.647 5.374 1702 2HD ARG 65 2HD ARG 65 13.201 32.014 5.769 1703 HE ARG 65 HE ARG 65 15.511 32.649 7.536 1704 1HH1 ARG 65 1HH2 ARG 65 12.181 31.441 7.445 1705 2HH1 ARG 65 2HH2 ARG 65 11.807 31.985 9.055 1706 1HH2 ARG 65 2HH1 ARG 65 15.052 33.327 9.624 1707 2HH2 ARG 65 1HH1 ARG 65 13.467 33.076 10.314 1708 H ARG 66 H ARG 66 16.021 26.741 8.256 1709 HA ARG 66 HA ARG 66 18.433 27.132 6.995 1710 1HB ARG 66 1HB ARG 66 19.190 25.090 8.077 1711 2HB ARG 66 2HB ARG 66 18.158 26.053 9.130 1712 1HG ARG 66 1HG ARG 66 16.283 24.344 8.005 1713 2HG ARG 66 2HG ARG 66 17.726 23.325 7.976 1714 1HD ARG 66 1HD ARG 66 16.522 22.967 10.040 1715 2HD ARG 66 2HD ARG 66 18.010 23.858 10.448 1716 HE ARG 66 HE ARG 66 15.888 25.709 9.906 1717 1HH1 ARG 66 2HH1 ARG 66 16.808 23.394 12.409 1718 2HH1 ARG 66 1HH1 ARG 66 15.916 24.214 13.663 1719 1HH2 ARG 66 1HH2 ARG 66 14.761 26.721 11.399 1720 2HH2 ARG 66 2HH2 ARG 66 14.680 26.195 13.079 1721 H SER 67 H SER 67 15.867 24.986 5.951 1722 HA SER 67 HA SER 67 15.383 24.012 4.012 1723 1HB SER 67 1HB SER 67 17.633 25.680 2.818 1724 2HB SER 67 2HB SER 67 16.330 24.858 1.950 1725 HG SER 67 HG SER 67 16.043 26.940 3.876 1726 H ALA 68 H ALA 68 18.983 24.000 4.178 1727 HA ALA 68 HA ALA 68 19.208 21.562 2.659 1728 1HB ALA 68 1HB ALA 68 20.896 23.341 2.600 1729 2HB ALA 68 2HB ALA 68 21.606 21.804 3.127 1730 3HB ALA 68 3HB ALA 68 21.258 23.077 4.319 1731 H HIS 69 H HIS 69 17.561 20.553 4.275 1732 HA HIS 69 HA HIS 69 18.635 19.413 6.734 1733 1HB HIS 69 1HB HIS 69 16.148 18.709 5.134 1734 2HB HIS 69 2HB HIS 69 16.499 18.212 6.791 1735 HD1 HIS 69 HD1 HIS 69 15.427 21.318 4.808 1736 HD2 HIS 69 HD2 HIS 69 16.065 19.980 8.752 1737 HE1 HIS 69 HE1 HIS 69 14.330 23.031 6.355 1738 H ALA 70 H ALA 70 19.611 18.746 3.701 1739 HA ALA 70 HA ALA 70 19.057 15.985 3.304 1740 1HB ALA 70 1HB ALA 70 19.502 17.544 1.480 1741 2HB ALA 70 2HB ALA 70 20.661 16.203 1.461 1742 3HB ALA 70 3HB ALA 70 21.161 17.796 2.068 1743 H ARG 71 H ARG 71 19.643 15.207 5.451 1744 HA ARG 71 HA ARG 71 22.534 14.583 5.864 1745 1HB ARG 71 1HB ARG 71 20.104 13.755 7.502 1746 2HB ARG 71 2HB ARG 71 21.799 13.558 7.942 1747 1HG ARG 71 1HG ARG 71 20.274 16.194 7.730 1748 2HG ARG 71 2HG ARG 71 20.784 15.357 9.193 1749 1HD ARG 71 1HD ARG 71 22.391 17.061 8.954 1750 2HD ARG 71 2HD ARG 71 23.201 15.617 8.370 1751 HE ARG 71 HE ARG 71 23.231 16.473 6.213 1752 1HH1 ARG 71 1HH1 ARG 71 21.157 18.587 8.206 1753 2HH1 ARG 71 2HH1 ARG 71 20.954 19.736 6.882 1754 1HH2 ARG 71 1HH2 ARG 71 22.748 17.924 4.534 1755 2HH2 ARG 71 2HH2 ARG 71 21.901 19.429 4.919 1756 H LYS 72 H LYS 72 22.680 12.051 6.467 1757 HA LYS 72 HA LYS 72 22.842 10.851 4.094 1758 1HB LYS 72 1HB LYS 72 23.096 8.717 5.164 1759 2HB LYS 72 2HB LYS 72 23.882 9.991 6.102 1760 1HG LYS 72 1HG LYS 72 21.919 9.994 7.676 1761 2HG LYS 72 2HG LYS 72 21.211 8.654 6.744 1762 1HD LYS 72 1HD LYS 72 23.250 7.286 7.175 1763 2HD LYS 72 2HD LYS 72 23.884 8.594 8.192 1764 1HE LYS 72 1HE LYS 72 21.844 8.403 9.648 1765 2HE LYS 72 2HE LYS 72 21.276 7.063 8.631 1766 1HZ LYS 72 1HZ LYS 72 22.392 6.267 10.568 1767 2HZ LYS 72 2HZ LYS 72 23.763 7.097 10.189 1768 3HZ LYS 72 3HZ LYS 72 23.259 5.859 9.226 1769 H GLU 73 H GLU 73 19.889 10.590 6.064 1770 HA GLU 73 HA GLU 73 18.624 8.901 3.989 1771 1HB GLU 73 1HB GLU 73 16.765 8.665 5.514 1772 2HB GLU 73 2HB GLU 73 18.282 8.110 6.213 1773 1HG GLU 73 1HG GLU 73 17.033 10.828 6.867 1774 2HG GLU 73 2HG GLU 73 16.729 9.350 7.768 1775 H THR 74 H THR 74 18.302 12.218 5.378 1776 HA THR 74 HA THR 74 15.938 12.797 3.898 1777 HB THR 74 HB THR 74 17.010 15.230 4.415 1778 HG1 THR 74 HG1 THR 74 18.110 15.052 6.348 1779 1HG2 THR 74 1HG2 THR 74 15.639 13.377 6.411 1780 2HG2 THR 74 2HG2 THR 74 15.737 15.147 6.537 1781 3HG2 THR 74 3HG2 THR 74 14.828 14.406 5.207 1782 H GLU 75 H GLU 75 19.328 12.701 2.944 1783 HA GLU 75 HA GLU 75 19.274 14.171 0.563 1784 1HB GLU 75 1HB GLU 75 20.475 11.466 1.247 1785 2HB GLU 75 2HB GLU 75 20.679 12.188 -0.350 1786 1HG GLU 75 1HG GLU 75 21.758 14.156 0.548 1787 2HG GLU 75 2HG GLU 75 21.531 13.606 2.207 1788 H PHE 76 H PHE 76 17.453 11.227 1.312 1789 HA PHE 76 HA PHE 76 16.316 11.259 -1.461 1790 1HB PHE 76 1HB PHE 76 15.907 8.960 0.394 1791 2HB PHE 76 2HB PHE 76 16.036 8.993 -1.363 1792 HD1 PHE 76 HD1 PHE 76 18.499 9.942 -2.197 1793 HD2 PHE 76 HD2 PHE 76 17.669 7.963 1.542 1794 HE1 PHE 76 HE1 PHE 76 20.913 9.800 -1.739 1795 HE2 PHE 76 HE2 PHE 76 20.104 7.637 1.885 1796 HZ PHE 76 HZ PHE 76 21.716 8.653 0.350 1797 H LEU 77 H LEU 77 15.479 10.861 2.018 1798 HA LEU 77 HA LEU 77 12.668 10.911 1.509 1799 1HB LEU 77 1HB LEU 77 14.116 11.474 4.115 1800 2HB LEU 77 2HB LEU 77 12.403 11.099 3.930 1801 HG LEU 77 HG LEU 77 14.714 9.211 3.286 1802 1HD1 LEU 77 1HD1 LEU 77 13.913 7.969 5.244 1803 2HD1 LEU 77 2HD1 LEU 77 12.636 9.172 5.515 1804 3HD1 LEU 77 3HD1 LEU 77 14.343 9.627 5.704 1805 1HD2 LEU 77 1HD2 LEU 77 11.694 8.777 3.138 1806 2HD2 LEU 77 2HD2 LEU 77 12.906 7.484 3.086 1807 3HD2 LEU 77 3HD2 LEU 77 12.854 8.682 1.792 1808 H ARG 78 H ARG 78 14.876 13.604 1.577 1809 HA ARG 78 HA ARG 78 13.225 15.703 2.367 1810 1HB ARG 78 1HB ARG 78 14.375 17.115 0.776 1811 2HB ARG 78 2HB ARG 78 15.460 16.118 1.735 1812 1HG ARG 78 1HG ARG 78 15.565 14.517 -0.278 1813 2HG ARG 78 2HG ARG 78 14.682 15.732 -1.206 1814 1HD ARG 78 1HD ARG 78 16.424 17.287 -1.124 1815 2HD ARG 78 2HD ARG 78 17.172 16.521 0.300 1816 HE ARG 78 HE ARG 78 17.356 14.518 -1.486 1817 1HH1 ARG 78 1HH1 ARG 78 18.420 17.886 -1.707 1818 2HH1 ARG 78 2HH1 ARG 78 19.882 17.481 -2.569 1819 1HH2 ARG 78 1HH2 ARG 78 19.198 13.983 -2.442 1820 2HH2 ARG 78 2HH2 ARG 78 20.337 15.173 -3.046 1821 H LEU 79 H LEU 79 13.149 13.803 -0.697 1822 HA LEU 79 HA LEU 79 11.192 15.530 -1.934 1823 1HB LEU 79 1HB LEU 79 11.839 12.623 -2.538 1824 2HB LEU 79 2HB LEU 79 10.878 13.722 -3.537 1825 HG LEU 79 HG LEU 79 13.857 13.901 -2.941 1826 1HD1 LEU 79 1HD1 LEU 79 12.295 13.678 -5.555 1827 2HD1 LEU 79 2HD1 LEU 79 14.061 13.649 -5.370 1828 3HD1 LEU 79 3HD1 LEU 79 13.076 12.329 -4.722 1829 1HD2 LEU 79 1HD2 LEU 79 13.855 15.896 -4.468 1830 2HD2 LEU 79 2HD2 LEU 79 13.059 16.224 -2.930 1831 3HD2 LEU 79 3HD2 LEU 79 12.082 15.924 -4.387 1832 H LYS 80 H LYS 80 10.943 12.607 0.090 1833 HA LYS 80 HA LYS 80 8.153 12.186 -0.181 1834 1HB LYS 80 1HB LYS 80 9.794 10.612 0.849 1835 2HB LYS 80 2HB LYS 80 9.808 11.643 2.293 1836 1HG LYS 80 1HG LYS 80 7.322 11.311 2.517 1837 2HG LYS 80 2HG LYS 80 7.345 10.338 1.049 1838 1HD LYS 80 1HD LYS 80 7.300 8.809 2.880 1839 2HD LYS 80 2HD LYS 80 8.900 8.721 2.139 1840 1HE LYS 80 1HE LYS 80 9.075 8.661 4.579 1841 2HE LYS 80 2HE LYS 80 9.831 10.138 3.974 1842 1HZ LYS 80 1HZ LYS 80 7.852 11.325 4.572 1843 2HZ LYS 80 2HZ LYS 80 7.123 9.941 5.097 1844 3HZ LYS 80 3HZ LYS 80 8.451 10.524 5.879 1845 H ARG 81 H ARG 81 9.974 14.020 2.341 1846 HA ARG 81 HA ARG 81 7.532 15.026 3.483 1847 1HB ARG 81 1HB ARG 81 8.868 16.565 4.808 1848 2HB ARG 81 2HB ARG 81 9.282 14.862 4.926 1849 1HG ARG 81 1HG ARG 81 11.379 15.508 4.803 1850 2HG ARG 81 2HG ARG 81 11.125 15.610 3.069 1851 1HD ARG 81 1HD ARG 81 10.709 17.924 5.008 1852 2HD ARG 81 2HD ARG 81 12.259 17.594 4.227 1853 HE ARG 81 HE ARG 81 10.812 17.717 2.038 1854 1HH1 ARG 81 2HH2 ARG 81 10.744 19.911 4.836 1855 2HH1 ARG 81 1HH2 ARG 81 10.357 21.313 3.878 1856 1HH2 ARG 81 1HH1 ARG 81 10.410 19.570 0.799 1857 2HH2 ARG 81 2HH1 ARG 81 10.159 21.122 1.561 1858 H THR 82 H THR 82 9.576 16.288 0.847 1859 HA THR 82 HA THR 82 8.220 18.793 0.666 1860 HB THR 82 HB THR 82 9.407 17.175 -1.629 1861 HG1 THR 82 HG1 THR 82 10.971 17.629 -0.126 1862 1HG2 THR 82 1HG2 THR 82 9.624 19.412 -2.691 1863 2HG2 THR 82 2HG2 THR 82 7.926 18.971 -2.443 1864 3HG2 THR 82 3HG2 THR 82 8.708 20.132 -1.351 1865 H ARG 83 H ARG 83 7.430 15.622 -0.984 1866 HA ARG 83 HA ARG 83 5.105 16.806 -2.194 1867 1HB ARG 83 1HB ARG 83 4.304 14.562 -2.648 1868 2HB ARG 83 2HB ARG 83 5.946 14.874 -3.219 1869 1HG ARG 83 1HG ARG 83 6.892 13.594 -1.415 1870 2HG ARG 83 2HG ARG 83 5.316 13.342 -0.656 1871 1HD ARG 83 1HD ARG 83 4.663 11.779 -2.199 1872 2HD ARG 83 2HD ARG 83 5.620 12.446 -3.521 1873 HE ARG 83 HE ARG 83 6.376 10.419 -1.592 1874 1HH1 ARG 83 2HH1 ARG 83 7.688 13.019 -3.638 1875 2HH1 ARG 83 1HH1 ARG 83 9.190 12.150 -3.945 1876 1HH2 ARG 83 1HH2 ARG 83 8.491 9.434 -1.884 1877 2HH2 ARG 83 2HH2 ARG 83 9.631 10.239 -2.961 1878 H LEU 84 H LEU 84 5.594 15.177 0.954 1879 HA LEU 84 HA LEU 84 2.855 15.017 1.659 1880 1HB LEU 84 1HB LEU 84 4.741 13.903 2.871 1881 2HB LEU 84 2HB LEU 84 5.289 15.489 3.418 1882 HG LEU 84 HG LEU 84 3.164 15.785 4.696 1883 1HD1 LEU 84 1HD1 LEU 84 1.751 13.802 5.124 1884 2HD1 LEU 84 2HD1 LEU 84 1.674 14.257 3.420 1885 3HD1 LEU 84 3HD1 LEU 84 2.672 12.871 3.926 1886 1HD2 LEU 84 1HD2 LEU 84 3.770 14.194 6.474 1887 2HD2 LEU 84 2HD2 LEU 84 4.763 13.272 5.325 1888 3HD2 LEU 84 3HD2 LEU 84 5.213 14.935 5.759 1889 H GLY 85 H GLY 85 5.226 17.690 2.033 1890 1HA GLY 85 1HA GLY 85 3.026 19.518 2.980 1891 2HA GLY 85 2HA GLY 85 4.751 19.666 3.328 1892 H LEU 86 H LEU 86 3.232 18.907 0.164 1893 HA LEU 86 HA LEU 86 5.002 20.603 -1.163 1894 1HB LEU 86 1HB LEU 86 3.832 18.674 -2.163 1895 2HB LEU 86 2HB LEU 86 2.309 19.564 -2.135 1896 HG LEU 86 HG LEU 86 3.176 21.182 -3.764 1897 1HD1 LEU 86 1HD1 LEU 86 5.393 20.740 -4.880 1898 2HD1 LEU 86 2HD1 LEU 86 5.560 21.292 -3.214 1899 3HD1 LEU 86 3HD1 LEU 86 5.763 19.565 -3.601 1900 1HD2 LEU 86 1HD2 LEU 86 2.151 19.060 -4.551 1901 2HD2 LEU 86 2HD2 LEU 86 3.369 19.664 -5.685 1902 3HD2 LEU 86 3HD2 LEU 86 3.756 18.307 -4.605 1903 H GLU 87 H GLU 87 1.575 21.181 -0.365 1904 HA GLU 87 HA GLU 87 1.957 24.016 -0.099 1905 1HB GLU 87 1HB GLU 87 1.797 23.847 -2.589 1906 2HB GLU 87 2HB GLU 87 0.283 22.957 -2.424 1907 1HG GLU 87 1HG GLU 87 -0.200 25.243 -3.022 1908 2HG GLU 87 2HG GLU 87 -0.750 25.005 -1.363 Start of MODEL 18 1 1H SER 1 1H SER 1 8.746 5.283 -12.124 2 2H SER 1 2H SER 1 10.242 4.908 -12.690 3 3H SER 1 3H SER 1 9.413 3.814 -11.779 4 HA SER 1 HA SER 1 8.519 4.816 -14.378 5 1HB SER 1 1HB SER 1 9.243 2.627 -15.309 6 2HB SER 1 2HB SER 1 10.601 3.611 -14.716 7 HG SER 1 HG SER 1 10.272 1.204 -14.036 8 H GLU 2 H GLU 2 8.274 1.500 -13.430 9 HA GLU 2 HA GLU 2 5.482 1.417 -14.034 10 1HB GLU 2 1HB GLU 2 7.297 -0.569 -12.590 11 2HB GLU 2 2HB GLU 2 5.600 -0.874 -12.980 12 1HG GLU 2 1HG GLU 2 6.997 -1.904 -14.658 13 2HG GLU 2 2HG GLU 2 6.039 -0.607 -15.379 14 H LEU 3 H LEU 3 7.203 1.202 -10.904 15 HA LEU 3 HA LEU 3 4.936 1.048 -9.230 16 1HB LEU 3 1HB LEU 3 7.509 2.532 -8.557 17 2HB LEU 3 2HB LEU 3 6.330 1.829 -7.435 18 HG LEU 3 HG LEU 3 8.223 0.343 -9.315 19 1HD1 LEU 3 1HD1 LEU 3 9.233 1.378 -7.303 20 2HD1 LEU 3 2HD1 LEU 3 8.052 0.531 -6.277 21 3HD1 LEU 3 3HD1 LEU 3 9.236 -0.388 -7.224 22 1HD2 LEU 3 1HD2 LEU 3 6.180 -0.969 -9.191 23 2HD2 LEU 3 2HD2 LEU 3 7.400 -1.714 -8.153 24 3HD2 LEU 3 3HD2 LEU 3 6.100 -0.745 -7.424 25 H GLU 4 H GLU 4 6.773 3.962 -10.262 26 HA GLU 4 HA GLU 4 5.143 5.906 -9.066 27 1HB GLU 4 1HB GLU 4 6.744 5.970 -11.637 28 2HB GLU 4 2HB GLU 4 6.024 7.406 -10.899 29 1HG GLU 4 1HG GLU 4 7.331 7.221 -8.909 30 2HG GLU 4 2HG GLU 4 7.869 5.594 -9.295 31 H LYS 5 H LYS 5 4.739 4.291 -12.252 32 HA LYS 5 HA LYS 5 2.591 5.931 -13.147 33 1HB LYS 5 1HB LYS 5 4.081 4.112 -14.368 34 2HB LYS 5 2HB LYS 5 2.761 3.028 -13.980 35 1HG LYS 5 1HG LYS 5 2.728 5.628 -15.561 36 2HG LYS 5 2HG LYS 5 2.559 4.013 -16.229 37 1HD LYS 5 1HD LYS 5 0.467 5.373 -14.437 38 2HD LYS 5 2HD LYS 5 0.494 5.395 -16.186 39 1HE LYS 5 1HE LYS 5 -1.058 3.742 -15.652 40 2HE LYS 5 2HE LYS 5 0.373 2.869 -16.216 41 1HZ LYS 5 1HZ LYS 5 -0.646 1.929 -14.249 42 2HZ LYS 5 2HZ LYS 5 0.895 2.408 -13.935 43 3HZ LYS 5 3HZ LYS 5 -0.372 3.318 -13.405 44 H ALA 6 H ALA 6 2.653 2.726 -11.565 45 HA ALA 6 HA ALA 6 -0.121 2.296 -11.233 46 1HB ALA 6 1HB ALA 6 2.288 1.503 -9.542 47 2HB ALA 6 2HB ALA 6 0.659 0.852 -9.292 48 3HB ALA 6 3HB ALA 6 1.519 0.561 -10.823 49 H VAL 7 H VAL 7 2.199 3.795 -8.987 50 HA VAL 7 HA VAL 7 0.484 4.503 -6.900 51 HB VAL 7 HB VAL 7 3.096 5.555 -8.001 52 1HG1 VAL 7 1HG1 VAL 7 1.909 6.488 -5.388 53 2HG1 VAL 7 2HG1 VAL 7 3.533 6.785 -6.019 54 3HG1 VAL 7 3HG1 VAL 7 2.133 7.489 -6.846 55 1HG2 VAL 7 1HG2 VAL 7 2.950 3.261 -6.891 56 2HG2 VAL 7 2HG2 VAL 7 4.054 4.396 -6.094 57 3HG2 VAL 7 3HG2 VAL 7 2.446 4.077 -5.421 58 H VAL 8 H VAL 8 1.481 6.660 -9.692 59 HA VAL 8 HA VAL 8 -0.320 8.695 -8.791 60 HB VAL 8 HB VAL 8 -0.033 9.834 -10.855 61 1HG1 VAL 8 1HG1 VAL 8 2.380 10.191 -10.752 62 2HG1 VAL 8 2HG1 VAL 8 1.690 10.027 -9.129 63 3HG1 VAL 8 3HG1 VAL 8 2.599 8.684 -9.846 64 1HG2 VAL 8 1HG2 VAL 8 1.381 9.009 -12.678 65 2HG2 VAL 8 2HG2 VAL 8 1.482 7.429 -11.892 66 3HG2 VAL 8 3HG2 VAL 8 -0.074 8.021 -12.498 67 H ALA 9 H ALA 9 -0.844 5.917 -11.016 68 HA ALA 9 HA ALA 9 -3.442 6.716 -11.863 69 1HB ALA 9 1HB ALA 9 -3.880 4.354 -12.262 70 2HB ALA 9 2HB ALA 9 -2.282 4.825 -12.884 71 3HB ALA 9 3HB ALA 9 -2.419 3.890 -11.377 72 H LEU 10 H LEU 10 -2.431 4.808 -8.971 73 HA LEU 10 HA LEU 10 -5.031 4.425 -7.881 74 1HB LEU 10 1HB LEU 10 -2.247 4.502 -6.703 75 2HB LEU 10 2HB LEU 10 -3.641 4.603 -5.635 76 HG LEU 10 HG LEU 10 -4.560 2.499 -6.672 77 1HD1 LEU 10 1HD1 LEU 10 -1.722 2.141 -7.713 78 2HD1 LEU 10 2HD1 LEU 10 -3.064 0.991 -7.835 79 3HD1 LEU 10 3HD1 LEU 10 -3.114 2.498 -8.761 80 1HD2 LEU 10 1HD2 LEU 10 -3.022 1.062 -5.359 81 2HD2 LEU 10 2HD2 LEU 10 -1.875 2.414 -5.249 82 3HD2 LEU 10 3HD2 LEU 10 -3.475 2.531 -4.479 83 H ILE 11 H ILE 11 -2.720 7.104 -7.246 84 HA ILE 11 HA ILE 11 -4.455 8.590 -5.537 85 HB ILE 11 HB ILE 11 -2.256 9.568 -7.404 86 1HG1 ILE 11 1HG1 ILE 11 -2.335 8.833 -4.440 87 2HG1 ILE 11 2HG1 ILE 11 -1.471 7.989 -5.713 88 1HG2 ILE 11 1HG2 ILE 11 -3.585 11.027 -5.084 89 2HG2 ILE 11 2HG2 ILE 11 -2.240 11.630 -6.076 90 3HG2 ILE 11 3HG2 ILE 11 -3.822 11.429 -6.797 91 1HD1 ILE 11 1HD1 ILE 11 -0.792 10.756 -4.636 92 2HD1 ILE 11 2HD1 ILE 11 0.123 9.264 -4.464 93 3HD1 ILE 11 3HD1 ILE 11 -0.031 10.014 -6.062 94 H ASP 12 H ASP 12 -4.008 8.801 -9.080 95 HA ASP 12 HA ASP 12 -5.699 10.961 -9.549 96 1HB ASP 12 1HB ASP 12 -4.167 10.162 -11.228 97 2HB ASP 12 2HB ASP 12 -5.017 8.612 -11.339 98 H VAL 13 H VAL 13 -6.452 7.447 -9.802 99 HA VAL 13 HA VAL 13 -9.210 7.907 -10.496 100 HB VAL 13 HB VAL 13 -7.771 5.456 -9.425 101 1HG1 VAL 13 1HG1 VAL 13 -9.733 4.179 -10.317 102 2HG1 VAL 13 2HG1 VAL 13 -10.190 5.222 -8.966 103 3HG1 VAL 13 3HG1 VAL 13 -10.566 5.712 -10.631 104 1HG2 VAL 13 1HG2 VAL 13 -8.666 6.210 -12.245 105 2HG2 VAL 13 2HG2 VAL 13 -6.993 6.246 -11.667 106 3HG2 VAL 13 3HG2 VAL 13 -7.851 4.706 -11.776 107 H PHE 14 H PHE 14 -7.574 7.011 -7.410 108 HA PHE 14 HA PHE 14 -9.853 6.678 -5.830 109 1HB PHE 14 1HB PHE 14 -7.628 6.128 -5.020 110 2HB PHE 14 2HB PHE 14 -7.118 7.812 -5.124 111 HD1 PHE 14 HD1 PHE 14 -9.125 5.385 -3.205 112 HD2 PHE 14 HD2 PHE 14 -7.908 9.514 -3.499 113 HE1 PHE 14 HE1 PHE 14 -9.983 5.832 -0.904 114 HE2 PHE 14 HE2 PHE 14 -8.879 9.963 -1.292 115 HZ PHE 14 HZ PHE 14 -9.897 8.106 0.027 116 H HIS 15 H HIS 15 -7.954 9.748 -6.314 117 HA HIS 15 HA HIS 15 -9.659 11.073 -4.465 118 1HB HIS 15 1HB HIS 15 -8.494 12.970 -4.742 119 2HB HIS 15 2HB HIS 15 -7.290 11.717 -5.049 120 HD1 HIS 15 HD1 HIS 15 -6.619 11.436 -7.712 121 HD2 HIS 15 HD2 HIS 15 -9.066 14.690 -6.666 122 HE1 HIS 15 HE1 HIS 15 -6.606 13.062 -9.721 123 H GLN 16 H GLN 16 -9.757 10.817 -8.029 124 HA GLN 16 HA GLN 16 -11.854 12.733 -8.410 125 1HB GLN 16 1HB GLN 16 -11.042 10.230 -9.951 126 2HB GLN 16 2HB GLN 16 -12.324 11.323 -10.487 127 1HG GLN 16 1HG GLN 16 -9.441 12.185 -9.979 128 2HG GLN 16 2HG GLN 16 -10.116 11.783 -11.559 129 1HE2 GLN 16 1HE2 GLN 16 -9.426 14.406 -9.532 130 2HE2 GLN 16 2HE2 GLN 16 -10.591 15.524 -10.218 131 H TYR 17 H TYR 17 -11.994 9.149 -7.855 132 HA TYR 17 HA TYR 17 -14.837 8.988 -7.846 133 1HB TYR 17 1HB TYR 17 -12.623 7.289 -6.694 134 2HB TYR 17 2HB TYR 17 -14.286 6.946 -6.257 135 HD1 TYR 17 HD1 TYR 17 -15.186 5.151 -7.399 136 HD2 TYR 17 HD2 TYR 17 -12.612 7.881 -9.545 137 HE1 TYR 17 HE1 TYR 17 -15.515 3.856 -9.490 138 HE2 TYR 17 HE2 TYR 17 -13.018 6.636 -11.617 139 HH TYR 17 HH TYR 17 -14.144 4.885 -12.615 140 H SER 18 H SER 18 -12.581 9.369 -5.128 141 HA SER 18 HA SER 18 -14.329 9.776 -2.966 142 1HB SER 18 1HB SER 18 -11.656 11.040 -3.558 143 2HB SER 18 2HB SER 18 -12.436 10.965 -1.981 144 HG SER 18 HG SER 18 -11.357 8.872 -3.524 145 H GLY 19 H GLY 19 -13.738 11.983 -5.695 146 1HA GLY 19 1HA GLY 19 -14.598 14.379 -4.262 147 2HA GLY 19 2HA GLY 19 -14.275 14.173 -5.991 148 H ARG 20 H ARG 20 -16.093 11.690 -6.041 149 HA ARG 20 HA ARG 20 -18.380 13.263 -6.911 150 1HB ARG 20 1HB ARG 20 -18.062 10.249 -6.911 151 2HB ARG 20 2HB ARG 20 -19.185 11.228 -7.867 152 1HG ARG 20 1HG ARG 20 -17.029 12.374 -8.823 153 2HG ARG 20 2HG ARG 20 -16.164 11.032 -8.090 154 1HD ARG 20 1HD ARG 20 -18.396 10.667 -10.106 155 2HD ARG 20 2HD ARG 20 -16.654 10.599 -10.465 156 HE ARG 20 HE ARG 20 -17.075 8.834 -8.337 157 1HH1 ARG 20 2HH1 ARG 20 -18.157 9.072 -11.695 158 2HH1 ARG 20 1HH1 ARG 20 -18.370 7.348 -11.878 159 1HH2 ARG 20 2HH2 ARG 20 -17.299 6.671 -8.556 160 2HH2 ARG 20 1HH2 ARG 20 -17.989 5.933 -9.982 161 H GLU 21 H GLU 21 -17.947 10.569 -4.565 162 HA GLU 21 HA GLU 21 -19.833 11.906 -2.755 163 1HB GLU 21 1HB GLU 21 -20.277 8.991 -3.507 164 2HB GLU 21 2HB GLU 21 -21.071 9.886 -2.212 165 1HG GLU 21 1HG GLU 21 -21.960 11.491 -3.956 166 2HG GLU 21 2HG GLU 21 -21.313 10.412 -5.206 167 H GLY 22 H GLY 22 -18.379 12.305 -1.185 168 1HA GLY 22 1HA GLY 22 -17.157 10.571 0.560 169 2HA GLY 22 2HA GLY 22 -16.088 10.641 -0.868 170 H ASP 23 H ASP 23 -14.471 11.928 0.121 171 HA ASP 23 HA ASP 23 -15.135 14.798 0.213 172 1HB ASP 23 1HB ASP 23 -15.538 14.015 2.556 173 2HB ASP 23 2HB ASP 23 -13.872 13.418 2.623 174 H LYS 24 H LYS 24 -13.709 13.255 -1.650 175 HA LYS 24 HA LYS 24 -11.893 13.488 -2.973 176 1HB LYS 24 1HB LYS 24 -10.861 15.634 -1.113 177 2HB LYS 24 2HB LYS 24 -10.404 15.357 -2.786 178 1HG LYS 24 1HG LYS 24 -12.620 15.949 -3.583 179 2HG LYS 24 2HG LYS 24 -13.246 16.123 -1.946 180 1HD LYS 24 1HD LYS 24 -11.114 17.851 -3.263 181 2HD LYS 24 2HD LYS 24 -12.777 18.307 -2.874 182 1HE LYS 24 1HE LYS 24 -10.464 17.832 -0.952 183 2HE LYS 24 2HE LYS 24 -11.410 19.298 -1.197 184 1HZ LYS 24 1HZ LYS 24 -12.367 16.797 0.016 185 2HZ LYS 24 2HZ LYS 24 -12.066 18.214 0.789 186 3HZ LYS 24 3HZ LYS 24 -13.314 18.115 -0.280 187 H HIS 25 H HIS 25 -10.730 13.838 0.394 188 HA HIS 25 HA HIS 25 -8.474 11.992 0.060 189 1HB HIS 25 1HB HIS 25 -8.553 14.006 1.618 190 2HB HIS 25 2HB HIS 25 -9.770 13.154 2.560 191 HD1 HIS 25 HD1 HIS 25 -6.415 11.781 1.144 192 HD2 HIS 25 HD2 HIS 25 -8.549 12.368 4.729 193 HE1 HIS 25 HE1 HIS 25 -5.038 10.696 3.015 194 H LYS 26 H LYS 26 -11.886 11.563 0.435 195 HA LYS 26 HA LYS 26 -11.505 8.863 1.481 196 1HB LYS 26 1HB LYS 26 -13.625 10.690 2.666 197 2HB LYS 26 2HB LYS 26 -13.112 9.082 3.205 198 1HG LYS 26 1HG LYS 26 -10.848 10.164 3.780 199 2HG LYS 26 2HG LYS 26 -11.635 11.728 3.500 200 1HD LYS 26 1HD LYS 26 -13.357 11.141 5.213 201 2HD LYS 26 2HD LYS 26 -12.546 9.584 5.480 202 1HE LYS 26 1HE LYS 26 -10.475 10.817 6.182 203 2HE LYS 26 2HE LYS 26 -11.356 12.348 5.985 204 1HZ LYS 26 1HZ LYS 26 -12.933 11.532 7.618 205 2HZ LYS 26 2HZ LYS 26 -12.032 10.170 7.830 206 3HZ LYS 26 3HZ LYS 26 -11.403 11.638 8.234 207 H LEU 27 H LEU 27 -13.080 7.411 0.992 208 HA LEU 27 HA LEU 27 -14.875 8.116 -1.297 209 1HB LEU 27 1HB LEU 27 -13.964 5.462 -0.128 210 2HB LEU 27 2HB LEU 27 -14.990 5.626 -1.548 211 HG LEU 27 HG LEU 27 -12.204 6.811 -1.496 212 1HD1 LEU 27 1HD1 LEU 27 -11.431 4.643 -2.469 213 2HD1 LEU 27 2HD1 LEU 27 -12.032 4.435 -0.813 214 3HD1 LEU 27 3HD1 LEU 27 -13.051 3.969 -2.191 215 1HD2 LEU 27 1HD2 LEU 27 -12.304 6.495 -3.908 216 2HD2 LEU 27 2HD2 LEU 27 -13.845 5.627 -3.785 217 3HD2 LEU 27 3HD2 LEU 27 -13.773 7.364 -3.409 218 H LYS 28 H LYS 28 -17.136 8.048 -0.954 219 HA LYS 28 HA LYS 28 -18.119 7.108 1.641 220 1HB LYS 28 1HB LYS 28 -19.017 9.094 0.400 221 2HB LYS 28 2HB LYS 28 -19.712 7.990 -0.798 222 1HG LYS 28 1HG LYS 28 -21.404 7.374 0.586 223 2HG LYS 28 2HG LYS 28 -20.354 7.306 2.022 224 1HD LYS 28 1HD LYS 28 -20.313 9.777 2.164 225 2HD LYS 28 2HD LYS 28 -21.465 9.858 0.818 226 1HE LYS 28 1HE LYS 28 -22.645 10.102 2.928 227 2HE LYS 28 2HE LYS 28 -23.102 8.542 2.215 228 1HZ LYS 28 1HZ LYS 28 -21.096 8.968 4.328 229 2HZ LYS 28 2HZ LYS 28 -22.629 8.411 4.562 230 3HZ LYS 28 3HZ LYS 28 -21.543 7.506 3.718 231 H LYS 29 H LYS 29 -19.965 5.428 1.576 232 HA LYS 29 HA LYS 29 -18.936 2.996 0.862 233 1HB LYS 29 1HB LYS 29 -21.260 2.094 1.193 234 2HB LYS 29 2HB LYS 29 -20.610 3.064 2.494 235 1HG LYS 29 1HG LYS 29 -21.998 4.974 1.917 236 2HG LYS 29 2HG LYS 29 -22.502 4.223 0.401 237 1HD LYS 29 1HD LYS 29 -24.255 4.095 2.128 238 2HD LYS 29 2HD LYS 29 -23.746 2.514 1.532 239 1HE LYS 29 1HE LYS 29 -24.066 2.500 3.975 240 2HE LYS 29 2HE LYS 29 -22.398 2.123 3.534 241 1HZ LYS 29 1HZ LYS 29 -22.503 3.620 5.346 242 2HZ LYS 29 2HZ LYS 29 -21.814 4.377 4.056 243 3HZ LYS 29 3HZ LYS 29 -23.373 4.725 4.478 244 H SER 30 H SER 30 -21.080 5.015 -1.178 245 HA SER 30 HA SER 30 -21.671 3.077 -3.174 246 1HB SER 30 1HB SER 30 -21.879 5.403 -4.465 247 2HB SER 30 2HB SER 30 -23.006 5.011 -3.152 248 HG SER 30 HG SER 30 -21.995 7.119 -2.984 249 H GLU 31 H GLU 31 -19.169 5.664 -2.872 250 HA GLU 31 HA GLU 31 -17.923 5.070 -5.389 251 1HB GLU 31 1HB GLU 31 -16.883 6.565 -2.957 252 2HB GLU 31 2HB GLU 31 -16.018 6.433 -4.496 253 1HG GLU 31 1HG GLU 31 -18.798 7.587 -4.147 254 2HG GLU 31 2HG GLU 31 -17.314 8.527 -4.350 255 H LEU 32 H LEU 32 -17.223 4.114 -2.055 256 HA LEU 32 HA LEU 32 -14.867 2.655 -2.510 257 1HB LEU 32 1HB LEU 32 -15.737 3.331 -0.330 258 2HB LEU 32 2HB LEU 32 -17.113 2.228 -0.486 259 HG LEU 32 HG LEU 32 -15.219 1.589 1.056 260 1HD1 LEU 32 1HD1 LEU 32 -15.960 -0.479 -1.040 261 2HD1 LEU 32 2HD1 LEU 32 -15.352 -0.777 0.594 262 3HD1 LEU 32 3HD1 LEU 32 -16.934 -0.014 0.369 263 1HD2 LEU 32 1HD2 LEU 32 -13.745 0.832 -1.495 264 2HD2 LEU 32 2HD2 LEU 32 -13.332 2.190 -0.421 265 3HD2 LEU 32 3HD2 LEU 32 -13.237 0.526 0.175 266 H LYS 33 H LYS 33 -18.305 1.461 -2.511 267 HA LYS 33 HA LYS 33 -17.476 -1.159 -3.173 268 1HB LYS 33 1HB LYS 33 -19.589 -1.768 -3.023 269 2HB LYS 33 2HB LYS 33 -19.688 -0.207 -2.219 270 1HG LYS 33 1HG LYS 33 -21.597 -0.253 -3.467 271 2HG LYS 33 2HG LYS 33 -20.554 0.729 -4.487 272 1HD LYS 33 1HD LYS 33 -20.168 -1.219 -5.975 273 2HD LYS 33 2HD LYS 33 -20.919 -2.299 -4.787 274 1HE LYS 33 1HE LYS 33 -23.094 -1.234 -5.163 275 2HE LYS 33 2HE LYS 33 -22.358 -0.098 -6.316 276 1HZ LYS 33 1HZ LYS 33 -22.340 -3.025 -6.596 277 2HZ LYS 33 2HZ LYS 33 -23.400 -2.011 -7.364 278 3HZ LYS 33 3HZ LYS 33 -21.787 -1.933 -7.696 279 H GLU 34 H GLU 34 -18.520 1.510 -5.335 280 HA GLU 34 HA GLU 34 -18.498 -0.252 -7.659 281 1HB GLU 34 1HB GLU 34 -18.696 1.669 -9.054 282 2HB GLU 34 2HB GLU 34 -19.863 1.746 -7.712 283 1HG GLU 34 1HG GLU 34 -18.193 3.279 -6.548 284 2HG GLU 34 2HG GLU 34 -17.289 3.354 -8.057 285 H LEU 35 H LEU 35 -16.169 1.986 -6.160 286 HA LEU 35 HA LEU 35 -14.136 1.781 -8.087 287 1HB LEU 35 1HB LEU 35 -14.084 3.408 -6.264 288 2HB LEU 35 2HB LEU 35 -13.996 2.102 -5.071 289 HG LEU 35 HG LEU 35 -11.734 1.497 -5.928 290 1HD1 LEU 35 1HD1 LEU 35 -10.653 3.091 -7.580 291 2HD1 LEU 35 2HD1 LEU 35 -11.884 2.041 -8.290 292 3HD1 LEU 35 3HD1 LEU 35 -12.260 3.745 -7.928 293 1HD2 LEU 35 1HD2 LEU 35 -12.084 4.469 -5.377 294 2HD2 LEU 35 2HD2 LEU 35 -11.895 3.166 -4.177 295 3HD2 LEU 35 3HD2 LEU 35 -10.555 3.580 -5.263 296 H ILE 36 H ILE 36 -14.700 -0.266 -5.099 297 HA ILE 36 HA ILE 36 -12.656 -2.113 -5.685 298 HB ILE 36 HB ILE 36 -15.249 -2.533 -4.184 299 1HG1 ILE 36 1HG1 ILE 36 -12.328 -2.261 -3.293 300 2HG1 ILE 36 2HG1 ILE 36 -13.508 -0.956 -3.254 301 1HG2 ILE 36 1HG2 ILE 36 -12.873 -4.411 -4.592 302 2HG2 ILE 36 2HG2 ILE 36 -14.121 -4.660 -3.360 303 3HG2 ILE 36 3HG2 ILE 36 -14.546 -4.734 -5.061 304 1HD1 ILE 36 1HD1 ILE 36 -13.547 -3.496 -1.586 305 2HD1 ILE 36 2HD1 ILE 36 -13.415 -1.822 -1.048 306 3HD1 ILE 36 3HD1 ILE 36 -14.945 -2.413 -1.735 307 H ASN 37 H ASN 37 -16.128 -2.321 -6.663 308 HA ASN 37 HA ASN 37 -15.994 -4.693 -8.163 309 1HB ASN 37 1HB ASN 37 -17.603 -2.152 -8.585 310 2HB ASN 37 2HB ASN 37 -17.653 -3.474 -9.760 311 1HD2 ASN 37 2HD2 ASN 37 -18.414 -2.684 -6.351 312 2HD2 ASN 37 1HD2 ASN 37 -19.695 -3.910 -6.280 313 H ASN 38 H ASN 38 -14.911 -1.404 -9.149 314 HA ASN 38 HA ASN 38 -14.356 -2.258 -11.883 315 1HB ASN 38 1HB ASN 38 -13.933 0.249 -10.237 316 2HB ASN 38 2HB ASN 38 -13.006 0.006 -11.739 317 1HD2 ASN 38 1HD2 ASN 38 -16.315 0.178 -10.383 318 2HD2 ASN 38 2HD2 ASN 38 -17.064 0.671 -11.905 319 H GLU 39 H GLU 39 -12.278 -1.497 -9.024 320 HA GLU 39 HA GLU 39 -9.911 -2.120 -10.511 321 1HB GLU 39 1HB GLU 39 -8.687 -1.806 -8.488 322 2HB GLU 39 2HB GLU 39 -9.845 -0.484 -8.783 323 1HG GLU 39 1HG GLU 39 -11.083 -0.923 -6.936 324 2HG GLU 39 2HG GLU 39 -10.724 -2.650 -6.935 325 H LEU 40 H LEU 40 -11.975 -4.148 -8.470 326 HA LEU 40 HA LEU 40 -10.033 -6.402 -8.851 327 1HB LEU 40 1HB LEU 40 -12.259 -5.941 -6.832 328 2HB LEU 40 2HB LEU 40 -11.672 -7.536 -7.232 329 HG LEU 40 HG LEU 40 -9.424 -7.061 -6.583 330 1HD1 LEU 40 1HD1 LEU 40 -8.905 -5.043 -5.228 331 2HD1 LEU 40 2HD1 LEU 40 -9.265 -4.624 -6.899 332 3HD1 LEU 40 3HD1 LEU 40 -10.501 -4.384 -5.626 333 1HD2 LEU 40 1HD2 LEU 40 -11.685 -6.515 -4.612 334 2HD2 LEU 40 2HD2 LEU 40 -10.851 -8.055 -4.928 335 3HD2 LEU 40 3HD2 LEU 40 -10.026 -6.753 -4.084 336 H SER 41 H SER 41 -12.119 -5.124 -10.845 337 HA SER 41 HA SER 41 -14.331 -6.612 -11.226 338 1HB SER 41 1HB SER 41 -13.913 -6.218 -13.747 339 2HB SER 41 2HB SER 41 -13.956 -4.802 -12.691 340 HG SER 41 HG SER 41 -11.821 -4.569 -12.822 341 H HIS 42 H HIS 42 -11.100 -7.721 -12.177 342 HA HIS 42 HA HIS 42 -12.243 -10.274 -13.232 343 1HB HIS 42 1HB HIS 42 -9.491 -9.047 -13.596 344 2HB HIS 42 2HB HIS 42 -10.096 -10.526 -14.340 345 HD1 HIS 42 HD1 HIS 42 -11.167 -6.744 -14.340 346 HD2 HIS 42 HD2 HIS 42 -11.136 -10.243 -16.705 347 HE1 HIS 42 HE1 HIS 42 -12.098 -6.104 -16.619 348 H PHE 43 H PHE 43 -10.919 -9.021 -10.384 349 HA PHE 43 HA PHE 43 -9.351 -11.438 -9.630 350 1HB PHE 43 1HB PHE 43 -9.746 -8.646 -8.529 351 2HB PHE 43 2HB PHE 43 -9.240 -9.935 -7.466 352 HD1 PHE 43 HD1 PHE 43 -8.070 -9.501 -11.026 353 HD2 PHE 43 HD2 PHE 43 -7.138 -9.128 -6.822 354 HE1 PHE 43 HE1 PHE 43 -5.684 -9.178 -11.574 355 HE2 PHE 43 HE2 PHE 43 -4.756 -8.787 -7.390 356 HZ PHE 43 HZ PHE 43 -4.013 -8.884 -9.748 357 H LEU 44 H LEU 44 -12.341 -9.638 -8.839 358 HA LEU 44 HA LEU 44 -13.077 -11.687 -6.797 359 1HB LEU 44 1HB LEU 44 -12.150 -9.365 -6.095 360 2HB LEU 44 2HB LEU 44 -13.652 -8.707 -6.758 361 HG LEU 44 HG LEU 44 -14.750 -10.471 -5.109 362 1HD1 LEU 44 1HD1 LEU 44 -12.017 -9.917 -3.847 363 2HD1 LEU 44 2HD1 LEU 44 -12.545 -11.501 -4.456 364 3HD1 LEU 44 3HD1 LEU 44 -13.347 -10.774 -3.051 365 1HD2 LEU 44 1HD2 LEU 44 -15.036 -8.059 -4.974 366 2HD2 LEU 44 2HD2 LEU 44 -14.801 -8.732 -3.351 367 3HD2 LEU 44 3HD2 LEU 44 -13.470 -7.879 -4.153 368 H GLU 45 H GLU 45 -15.341 -12.088 -6.639 369 HA GLU 45 HA GLU 45 -16.966 -11.589 -8.984 370 1HB GLU 45 1HB GLU 45 -17.773 -12.463 -6.166 371 2HB GLU 45 2HB GLU 45 -18.806 -12.456 -7.600 372 1HG GLU 45 1HG GLU 45 -17.195 -14.041 -8.719 373 2HG GLU 45 2HG GLU 45 -16.271 -14.122 -7.209 374 H GLU 46 H GLU 46 -18.809 -10.153 -9.074 375 HA GLU 46 HA GLU 46 -18.267 -7.542 -8.211 376 1HB GLU 46 1HB GLU 46 -20.399 -6.966 -9.179 377 2HB GLU 46 2HB GLU 46 -19.608 -8.161 -10.214 378 1HG GLU 46 1HG GLU 46 -20.996 -9.952 -9.123 379 2HG GLU 46 2HG GLU 46 -21.700 -8.704 -8.093 380 H ILE 47 H ILE 47 -19.634 -6.167 -7.021 381 HA ILE 47 HA ILE 47 -20.632 -7.390 -4.473 382 HB ILE 47 HB ILE 47 -19.140 -4.762 -4.472 383 1HG1 ILE 47 1HG1 ILE 47 -17.908 -7.537 -4.262 384 2HG1 ILE 47 2HG1 ILE 47 -17.517 -6.271 -5.450 385 1HG2 ILE 47 1HG2 ILE 47 -19.418 -6.865 -2.317 386 2HG2 ILE 47 2HG2 ILE 47 -19.010 -5.148 -2.141 387 3HG2 ILE 47 3HG2 ILE 47 -20.655 -5.631 -2.589 388 1HD1 ILE 47 1HD1 ILE 47 -16.755 -4.796 -3.595 389 2HD1 ILE 47 2HD1 ILE 47 -16.957 -6.164 -2.466 390 3HD1 ILE 47 3HD1 ILE 47 -15.808 -6.282 -3.799 391 H LYS 48 H LYS 48 -22.652 -6.848 -4.154 392 HA LYS 48 HA LYS 48 -23.769 -4.238 -5.079 393 1HB LYS 48 1HB LYS 48 -25.786 -5.441 -5.806 394 2HB LYS 48 2HB LYS 48 -24.345 -5.900 -6.722 395 1HG LYS 48 1HG LYS 48 -24.138 -7.983 -5.343 396 2HG LYS 48 2HG LYS 48 -25.625 -7.526 -4.476 397 1HD LYS 48 1HD LYS 48 -26.869 -7.572 -6.624 398 2HD LYS 48 2HD LYS 48 -25.377 -8.034 -7.474 399 1HE LYS 48 1HE LYS 48 -25.227 -10.097 -6.076 400 2HE LYS 48 2HE LYS 48 -26.726 -9.638 -5.244 401 1HZ LYS 48 1HZ LYS 48 -27.109 -11.201 -6.994 402 2HZ LYS 48 2HZ LYS 48 -27.858 -9.774 -7.338 403 3HZ LYS 48 3HZ LYS 48 -26.463 -10.183 -8.118 404 H GLU 49 H GLU 49 -23.724 -6.787 -2.641 405 HA GLU 49 HA GLU 49 -26.086 -6.053 -1.237 406 1HB GLU 49 1HB GLU 49 -23.553 -7.458 -0.278 407 2HB GLU 49 2HB GLU 49 -25.109 -7.433 0.563 408 1HG GLU 49 1HG GLU 49 -24.617 -8.679 -2.193 409 2HG GLU 49 2HG GLU 49 -24.713 -9.547 -0.667 410 H GLN 50 H GLN 50 -25.953 -3.742 -1.144 411 HA GLN 50 HA GLN 50 -24.104 -2.076 -0.248 412 1HB GLN 50 1HB GLN 50 -26.428 -1.569 -0.974 413 2HB GLN 50 2HB GLN 50 -26.961 -1.743 0.699 414 1HG GLN 50 1HG GLN 50 -24.620 0.120 0.118 415 2HG GLN 50 2HG GLN 50 -26.206 0.585 -0.464 416 1HE2 GLN 50 1HE2 GLN 50 -24.567 -0.426 2.618 417 2HE2 GLN 50 2HE2 GLN 50 -25.658 0.532 3.612 418 H GLU 51 H GLU 51 -25.990 -4.106 1.997 419 HA GLU 51 HA GLU 51 -25.092 -2.954 4.446 420 1HB GLU 51 1HB GLU 51 -25.854 -5.853 3.823 421 2HB GLU 51 2HB GLU 51 -25.665 -5.141 5.423 422 1HG GLU 51 1HG GLU 51 -27.996 -5.184 5.004 423 2HG GLU 51 2HG GLU 51 -27.491 -3.496 4.891 424 H VAL 52 H VAL 52 -23.688 -5.474 2.323 425 HA VAL 52 HA VAL 52 -21.503 -6.043 4.165 426 HB VAL 52 HB VAL 52 -21.795 -6.803 1.227 427 1HG1 VAL 52 1HG1 VAL 52 -19.478 -6.973 2.010 428 2HG1 VAL 52 2HG1 VAL 52 -20.003 -7.826 3.479 429 3HG1 VAL 52 3HG1 VAL 52 -20.172 -8.588 1.891 430 1HG2 VAL 52 1HG2 VAL 52 -23.675 -7.719 2.568 431 2HG2 VAL 52 2HG2 VAL 52 -22.557 -8.996 2.080 432 3HG2 VAL 52 3HG2 VAL 52 -22.519 -8.375 3.745 433 H VAL 53 H VAL 53 -22.003 -4.036 1.156 434 HA VAL 53 HA VAL 53 -19.294 -3.334 0.972 435 HB VAL 53 HB VAL 53 -19.699 -1.900 -0.567 436 1HG1 VAL 53 1HG1 VAL 53 -22.374 -3.263 -0.711 437 2HG1 VAL 53 2HG1 VAL 53 -21.425 -2.638 -2.046 438 3HG1 VAL 53 3HG1 VAL 53 -20.828 -4.016 -1.099 439 1HG2 VAL 53 1HG2 VAL 53 -20.724 -0.070 0.531 440 2HG2 VAL 53 2HG2 VAL 53 -21.664 -0.424 -0.921 441 3HG2 VAL 53 3HG2 VAL 53 -22.278 -0.912 0.657 442 H ASP 54 H ASP 54 -21.941 -1.772 2.798 443 HA ASP 54 HA ASP 54 -20.470 0.241 4.096 444 1HB ASP 54 1HB ASP 54 -22.924 0.039 4.261 445 2HB ASP 54 2HB ASP 54 -22.763 -1.450 5.188 446 H LYS 55 H LYS 55 -20.999 -3.217 5.073 447 HA LYS 55 HA LYS 55 -19.561 -3.040 7.440 448 1HB LYS 55 1HB LYS 55 -21.011 -4.954 6.874 449 2HB LYS 55 2HB LYS 55 -19.863 -5.467 5.628 450 1HG LYS 55 1HG LYS 55 -19.596 -6.850 7.585 451 2HG LYS 55 2HG LYS 55 -18.132 -5.900 7.333 452 1HD LYS 55 1HD LYS 55 -18.982 -4.259 9.086 453 2HD LYS 55 2HD LYS 55 -20.364 -5.344 9.336 454 1HE LYS 55 1HE LYS 55 -18.717 -7.146 9.987 455 2HE LYS 55 2HE LYS 55 -17.393 -5.990 9.713 456 1HZ LYS 55 1HZ LYS 55 -19.538 -5.727 11.699 457 2HZ LYS 55 2HZ LYS 55 -17.954 -6.073 12.002 458 3HZ LYS 55 3HZ LYS 55 -18.384 -4.592 11.408 459 H VAL 56 H VAL 56 -18.265 -3.985 4.177 460 HA VAL 56 HA VAL 56 -15.622 -4.376 5.252 461 HB VAL 56 HB VAL 56 -14.742 -4.375 3.033 462 1HG1 VAL 56 1HG1 VAL 56 -15.788 -6.410 3.970 463 2HG1 VAL 56 2HG1 VAL 56 -17.343 -5.956 3.243 464 3HG1 VAL 56 3HG1 VAL 56 -15.956 -6.336 2.207 465 1HG2 VAL 56 1HG2 VAL 56 -17.524 -3.718 2.071 466 2HG2 VAL 56 2HG2 VAL 56 -16.125 -2.630 1.947 467 3HG2 VAL 56 3HG2 VAL 56 -16.151 -4.154 1.044 468 H MET 57 H MET 57 -17.296 -1.491 3.864 469 HA MET 57 HA MET 57 -15.076 0.246 4.066 470 1HB MET 57 1HB MET 57 -16.608 1.513 3.166 471 2HB MET 57 2HB MET 57 -17.957 0.544 3.750 472 1HG MET 57 1HG MET 57 -18.054 1.738 5.831 473 2HG MET 57 2HG MET 57 -16.579 2.640 5.452 474 1HE MET 57 1HE MET 57 -16.358 4.408 3.629 475 2HE MET 57 2HE MET 57 -17.139 3.527 2.304 476 3HE MET 57 3HE MET 57 -17.718 5.139 2.773 477 H GLU 58 H GLU 58 -17.493 -0.556 6.623 478 HA GLU 58 HA GLU 58 -16.357 0.909 8.723 479 1HB GLU 58 1HB GLU 58 -18.528 -0.182 8.892 480 2HB GLU 58 2HB GLU 58 -17.789 -1.784 8.790 481 1HG GLU 58 1HG GLU 58 -16.597 -1.421 10.922 482 2HG GLU 58 2HG GLU 58 -17.271 0.211 11.012 483 H THR 59 H THR 59 -15.650 -2.396 7.671 484 HA THR 59 HA THR 59 -13.716 -3.109 9.587 485 HB THR 59 HB THR 59 -13.911 -3.949 6.665 486 HG1 THR 59 HG1 THR 59 -15.807 -4.326 7.836 487 1HG2 THR 59 1HG2 THR 59 -12.492 -5.313 8.959 488 2HG2 THR 59 2HG2 THR 59 -12.850 -6.042 7.375 489 3HG2 THR 59 3HG2 THR 59 -11.764 -4.656 7.466 490 H LEU 60 H LEU 60 -13.286 -1.325 6.487 491 HA LEU 60 HA LEU 60 -10.364 -1.179 6.878 492 1HB LEU 60 1HB LEU 60 -12.142 0.269 4.878 493 2HB LEU 60 2HB LEU 60 -10.394 0.116 4.813 494 HG LEU 60 HG LEU 60 -12.199 -2.324 4.657 495 1HD1 LEU 60 1HD1 LEU 60 -12.699 -0.821 2.791 496 2HD1 LEU 60 2HD1 LEU 60 -10.970 -0.638 2.441 497 3HD1 LEU 60 3HD1 LEU 60 -11.772 -2.218 2.228 498 1HD2 LEU 60 1HD2 LEU 60 -9.961 -2.759 5.442 499 2HD2 LEU 60 2HD2 LEU 60 -10.128 -3.339 3.780 500 3HD2 LEU 60 3HD2 LEU 60 -9.259 -1.818 4.105 501 H ASP 61 H ASP 61 -13.114 0.808 7.443 502 HA ASP 61 HA ASP 61 -12.005 3.363 7.421 503 1HB ASP 61 1HB ASP 61 -14.387 2.960 7.256 504 2HB ASP 61 2HB ASP 61 -14.425 2.317 8.907 505 H SER 62 H SER 62 -9.931 2.637 8.662 506 HA SER 62 HA SER 62 -9.787 2.732 11.449 507 1HB SER 62 1HB SER 62 -7.832 4.021 9.499 508 2HB SER 62 2HB SER 62 -7.510 3.491 11.158 509 HG SER 62 HG SER 62 -7.963 1.910 8.858 510 H ASP 63 H ASP 63 -10.637 5.336 9.233 511 HA ASP 63 HA ASP 63 -10.032 7.520 11.020 512 1HB ASP 63 1HB ASP 63 -12.124 7.474 8.806 513 2HB ASP 63 2HB ASP 63 -11.301 8.868 9.496 514 H GLY 64 H GLY 64 -12.555 5.098 11.033 515 1HA GLY 64 1HA GLY 64 -14.600 4.953 12.025 516 2HA GLY 64 2HA GLY 64 -13.937 6.018 13.274 517 H ASP 65 H ASP 65 -14.443 6.854 9.824 518 HA ASP 65 HA ASP 65 -16.327 9.034 10.651 519 1HB ASP 65 1HB ASP 65 -14.006 9.752 10.033 520 2HB ASP 65 2HB ASP 65 -14.217 8.977 8.450 521 H GLY 66 H GLY 66 -16.440 6.062 9.382 522 1HA GLY 66 1HA GLY 66 -17.859 5.005 7.941 523 2HA GLY 66 2HA GLY 66 -18.619 6.544 7.493 524 H GLU 67 H GLU 67 -17.099 8.060 6.327 525 HA GLU 67 HA GLU 67 -16.466 6.932 3.849 526 1HB GLU 67 1HB GLU 67 -15.060 9.465 4.513 527 2HB GLU 67 2HB GLU 67 -16.009 9.016 3.105 528 1HG GLU 67 1HG GLU 67 -17.038 10.000 5.797 529 2HG GLU 67 2HG GLU 67 -17.090 10.826 4.252 530 H CYS 68 H CYS 68 -14.655 6.039 2.985 531 HA CYS 68 HA CYS 68 -12.561 5.243 4.960 532 1HB CYS 68 1HB CYS 68 -13.635 4.146 2.346 533 2HB CYS 68 2HB CYS 68 -12.027 3.643 2.927 534 HG CYS 68 HG CYS 68 -14.686 3.737 4.843 535 H ASP 69 H ASP 69 -10.546 6.217 4.939 536 HA ASP 69 HA ASP 69 -10.157 8.202 2.888 537 1HB ASP 69 1HB ASP 69 -8.688 9.271 4.139 538 2HB ASP 69 2HB ASP 69 -9.579 8.431 5.415 539 H PHE 70 H PHE 70 -8.031 8.510 1.852 540 HA PHE 70 HA PHE 70 -7.421 6.576 -0.005 541 1HB PHE 70 1HB PHE 70 -6.647 8.859 -0.144 542 2HB PHE 70 2HB PHE 70 -5.559 8.659 1.196 543 HD1 PHE 70 HD1 PHE 70 -5.931 8.471 -2.375 544 HD2 PHE 70 HD2 PHE 70 -3.597 6.848 0.855 545 HE1 PHE 70 HE1 PHE 70 -4.845 6.906 -3.952 546 HE2 PHE 70 HE2 PHE 70 -2.403 5.411 -0.737 547 HZ PHE 70 HZ PHE 70 -3.162 5.293 -3.126 548 H GLN 71 H GLN 71 -5.771 6.871 3.175 549 HA GLN 71 HA GLN 71 -3.982 4.736 2.821 550 1HB GLN 71 1HB GLN 71 -3.812 6.355 4.637 551 2HB GLN 71 2HB GLN 71 -5.342 5.806 5.323 552 1HG GLN 71 1HG GLN 71 -3.495 4.961 6.614 553 2HG GLN 71 2HG GLN 71 -4.365 3.621 5.884 554 1HE2 GLN 71 1HE2 GLN 71 -3.366 2.601 3.906 555 2HE2 GLN 71 2HE2 GLN 71 -1.602 2.650 3.785 556 H GLU 72 H GLU 72 -7.439 4.659 3.747 557 HA GLU 72 HA GLU 72 -7.354 1.867 4.664 558 1HB GLU 72 1HB GLU 72 -9.791 3.551 4.016 559 2HB GLU 72 2HB GLU 72 -9.661 2.128 5.052 560 1HG GLU 72 1HG GLU 72 -8.746 4.937 5.605 561 2HG GLU 72 2HG GLU 72 -9.770 3.902 6.582 562 H PHE 73 H PHE 73 -8.396 3.644 1.783 563 HA PHE 73 HA PHE 73 -9.175 1.400 0.171 564 1HB PHE 73 1HB PHE 73 -9.675 3.397 -0.814 565 2HB PHE 73 2HB PHE 73 -8.217 4.194 -0.270 566 HD1 PHE 73 HD1 PHE 73 -6.299 4.403 -1.709 567 HD2 PHE 73 HD2 PHE 73 -9.555 1.787 -2.821 568 HE1 PHE 73 HE1 PHE 73 -5.479 4.348 -4.046 569 HE2 PHE 73 HE2 PHE 73 -8.718 1.776 -5.174 570 HZ PHE 73 HZ PHE 73 -6.720 3.094 -5.779 571 H MET 74 H MET 74 -5.969 2.968 0.619 572 HA MET 74 HA MET 74 -4.557 1.138 -0.940 573 1HB MET 74 1HB MET 74 -3.895 3.449 0.396 574 2HB MET 74 2HB MET 74 -3.025 2.247 1.357 575 1HG MET 74 1HG MET 74 -2.907 2.631 -1.666 576 2HG MET 74 2HG MET 74 -1.688 3.166 -0.510 577 1HE MET 74 1HE MET 74 -1.225 1.390 -3.206 578 2HE MET 74 2HE MET 74 0.040 2.103 -2.176 579 3HE MET 74 3HE MET 74 0.089 0.366 -2.589 580 H ALA 75 H ALA 75 -5.381 0.954 2.509 581 HA ALA 75 HA ALA 75 -3.909 -1.404 3.111 582 1HB ALA 75 1HB ALA 75 -4.993 0.026 4.820 583 2HB ALA 75 2HB ALA 75 -6.584 -0.574 4.306 584 3HB ALA 75 3HB ALA 75 -5.400 -1.691 5.000 585 H PHE 76 H PHE 76 -7.197 -1.009 1.717 586 HA PHE 76 HA PHE 76 -7.814 -3.817 1.677 587 1HB PHE 76 1HB PHE 76 -9.509 -2.100 1.425 588 2HB PHE 76 2HB PHE 76 -8.869 -1.644 -0.149 589 HD1 PHE 76 HD1 PHE 76 -9.556 -2.845 -2.121 590 HD2 PHE 76 HD2 PHE 76 -10.374 -4.523 1.790 591 HE1 PHE 76 HE1 PHE 76 -11.003 -4.573 -3.145 592 HE2 PHE 76 HE2 PHE 76 -11.791 -6.251 0.732 593 HZ PHE 76 HZ PHE 76 -12.134 -6.263 -1.726 594 H VAL 77 H VAL 77 -6.495 -1.585 -0.801 595 HA VAL 77 HA VAL 77 -5.935 -3.449 -2.853 596 HB VAL 77 HB VAL 77 -4.539 -0.912 -1.967 597 1HG1 VAL 77 1HG1 VAL 77 -2.853 -2.211 -3.206 598 2HG1 VAL 77 2HG1 VAL 77 -4.038 -2.570 -4.483 599 3HG1 VAL 77 3HG1 VAL 77 -3.461 -0.912 -4.229 600 1HG2 VAL 77 1HG2 VAL 77 -5.664 0.066 -3.913 601 2HG2 VAL 77 2HG2 VAL 77 -6.357 -1.513 -4.339 602 3HG2 VAL 77 3HG2 VAL 77 -6.867 -0.687 -2.855 603 H ALA 78 H ALA 78 -3.925 -2.567 -0.002 604 HA ALA 78 HA ALA 78 -1.705 -4.123 -0.684 605 1HB ALA 78 1HB ALA 78 -1.049 -3.954 1.650 606 2HB ALA 78 2HB ALA 78 -1.717 -2.411 1.096 607 3HB ALA 78 3HB ALA 78 -2.690 -3.487 2.126 608 H MET 79 H MET 79 -4.471 -5.065 1.476 609 HA MET 79 HA MET 79 -3.455 -7.703 1.868 610 1HB MET 79 1HB MET 79 -5.669 -8.389 2.592 611 2HB MET 79 2HB MET 79 -5.113 -6.912 3.392 612 1HG MET 79 1HG MET 79 -6.633 -5.581 2.102 613 2HG MET 79 2HG MET 79 -7.066 -6.957 1.059 614 1HE MET 79 1HE MET 79 -7.553 -5.420 4.614 615 2HE MET 79 2HE MET 79 -8.622 -6.650 5.341 616 3HE MET 79 3HE MET 79 -6.911 -7.034 5.023 617 H ILE 80 H ILE 80 -5.748 -6.461 -0.599 618 HA ILE 80 HA ILE 80 -6.323 -9.029 -1.715 619 HB ILE 80 HB ILE 80 -6.407 -6.230 -2.897 620 1HG1 ILE 80 1HG1 ILE 80 -7.905 -6.640 -0.934 621 2HG1 ILE 80 2HG1 ILE 80 -8.721 -6.209 -2.414 622 1HG2 ILE 80 1HG2 ILE 80 -7.915 -7.184 -4.630 623 2HG2 ILE 80 2HG2 ILE 80 -6.268 -7.759 -4.767 624 3HG2 ILE 80 3HG2 ILE 80 -7.504 -8.818 -4.063 625 1HD1 ILE 80 1HD1 ILE 80 -9.367 -8.622 -2.709 626 2HD1 ILE 80 2HD1 ILE 80 -8.507 -9.008 -1.200 627 3HD1 ILE 80 3HD1 ILE 80 -9.913 -7.940 -1.170 628 H THR 81 H THR 81 -3.980 -6.514 -2.732 629 HA THR 81 HA THR 81 -2.974 -7.979 -4.945 630 HB THR 81 HB THR 81 -1.532 -5.931 -3.244 631 HG1 THR 81 HG1 THR 81 -3.407 -5.037 -3.948 632 1HG2 THR 81 1HG2 THR 81 -0.280 -5.442 -5.310 633 2HG2 THR 81 2HG2 THR 81 -0.100 -7.172 -4.932 634 3HG2 THR 81 3HG2 THR 81 -1.204 -6.660 -6.197 635 H THR 82 H THR 82 -1.929 -7.870 -1.471 636 HA THR 82 HA THR 82 0.291 -9.628 -1.818 637 HB THR 82 HB THR 82 -1.461 -9.125 0.626 638 HG1 THR 82 HG1 THR 82 -0.548 -7.247 0.007 639 1HG2 THR 82 1HG2 THR 82 1.375 -10.239 0.436 640 2HG2 THR 82 2HG2 THR 82 0.498 -9.815 1.922 641 3HG2 THR 82 3HG2 THR 82 -0.075 -11.148 0.911 642 H ALA 83 H ALA 83 -3.144 -10.340 -1.000 643 HA ALA 83 HA ALA 83 -2.842 -13.141 -0.780 644 1HB ALA 83 1HB ALA 83 -4.876 -11.925 -0.109 645 2HB ALA 83 2HB ALA 83 -5.208 -11.493 -1.796 646 3HB ALA 83 3HB ALA 83 -5.279 -13.185 -1.298 647 H CYS 84 H CYS 84 -3.567 -11.124 -3.645 648 HA CYS 84 HA CYS 84 -3.705 -13.241 -5.533 649 1HB CYS 84 1HB CYS 84 -4.538 -11.017 -6.029 650 2HB CYS 84 2HB CYS 84 -2.900 -10.328 -5.883 651 HG CYS 84 HG CYS 84 -3.947 -12.682 -7.951 652 H HIS 85 H HIS 85 -0.928 -11.239 -4.480 653 HA HIS 85 HA HIS 85 1.075 -12.268 -6.123 654 1HB HIS 85 1HB HIS 85 1.146 -10.312 -4.479 655 2HB HIS 85 2HB HIS 85 1.461 -11.481 -3.197 656 HD1 HIS 85 HD1 HIS 85 3.882 -12.944 -3.639 657 HD2 HIS 85 HD2 HIS 85 3.133 -9.420 -5.799 658 HE1 HIS 85 HE1 HIS 85 6.109 -12.185 -4.604 659 H GLU 86 H GLU 86 0.210 -13.361 -2.800 660 HA GLU 86 HA GLU 86 1.807 -15.716 -2.782 661 1HB GLU 86 1HB GLU 86 -0.611 -14.779 -1.259 662 2HB GLU 86 2HB GLU 86 -0.332 -16.519 -1.310 663 1HG GLU 86 1HG GLU 86 0.766 -15.718 0.636 664 2HG GLU 86 2HG GLU 86 1.996 -16.221 -0.511 665 H PHE 87 H PHE 87 -1.529 -15.217 -4.003 666 HA PHE 87 HA PHE 87 -2.054 -17.920 -4.559 667 1HB PHE 87 1HB PHE 87 -3.642 -15.900 -4.571 668 2HB PHE 87 2HB PHE 87 -3.167 -15.679 -6.249 669 HD1 PHE 87 HD1 PHE 87 -5.297 -17.466 -3.944 670 HD2 PHE 87 HD2 PHE 87 -3.519 -17.686 -7.874 671 HE1 PHE 87 HE1 PHE 87 -6.923 -19.217 -4.589 672 HE2 PHE 87 HE2 PHE 87 -5.153 -19.429 -8.507 673 HZ PHE 87 HZ PHE 87 -6.858 -20.203 -6.870 674 H PHE 88 H PHE 88 -0.596 -15.432 -6.673 675 HA PHE 88 HA PHE 88 -0.221 -17.089 -8.973 676 1HB PHE 88 1HB PHE 88 1.060 -14.588 -7.855 677 2HB PHE 88 2HB PHE 88 1.922 -15.457 -9.126 678 HD1 PHE 88 HD1 PHE 88 0.704 -16.095 -11.254 679 HD2 PHE 88 HD2 PHE 88 -0.595 -12.988 -8.572 680 HE1 PHE 88 HE1 PHE 88 -0.467 -14.955 -13.140 681 HE2 PHE 88 HE2 PHE 88 -1.693 -11.811 -10.466 682 HZ PHE 88 HZ PHE 88 -1.652 -12.803 -12.743 683 H GLU 89 H GLU 89 1.775 -16.631 -6.038 684 HA GLU 89 HA GLU 89 4.002 -18.062 -7.184 685 1HB GLU 89 1HB GLU 89 3.353 -17.184 -4.343 686 2HB GLU 89 2HB GLU 89 4.887 -17.941 -4.806 687 1HG GLU 89 1HG GLU 89 5.427 -16.150 -6.335 688 2HG GLU 89 2HG GLU 89 3.826 -15.425 -6.174 689 H HIS 90 H HIS 90 1.700 -18.909 -4.535 690 HA HIS 90 HA HIS 90 2.791 -21.642 -4.383 691 1HB HIS 90 1HB HIS 90 2.198 -20.374 -2.388 692 2HB HIS 90 2HB HIS 90 0.524 -20.272 -2.915 693 HD1 HIS 90 HD1 HIS 90 -0.650 -22.833 -3.232 694 HD2 HIS 90 HD2 HIS 90 2.846 -22.446 -0.948 695 HE1 HIS 90 HE1 HIS 90 -0.534 -24.914 -1.710 696 H GLU 91 H GLU 91 2.269 -21.972 -6.745 697 HA GLU 91 HA GLU 91 -0.277 -21.863 -7.823 698 1HB GLU 91 1HB GLU 91 1.662 -24.072 -8.605 699 2HB GLU 91 2HB GLU 91 0.427 -23.277 -9.571 700 1HG GLU 91 1HG GLU 91 2.207 -22.136 -10.388 701 2HG GLU 91 2HG GLU 91 1.880 -21.072 -9.018 702 1H SER 1 1H SER 1 -9.081 -3.607 -14.813 703 2H SER 1 2H SER 1 -9.737 -3.082 -13.401 704 3H SER 1 3H SER 1 -10.711 -3.368 -14.698 705 HA SER 1 HA SER 1 -9.767 -1.610 -15.925 706 1HB SER 1 1HB SER 1 -11.638 -1.112 -14.370 707 2HB SER 1 2HB SER 1 -10.461 -0.670 -13.107 708 HG SER 1 HG SER 1 -11.353 1.088 -14.460 709 H GLU 2 H GLU 2 -8.677 0.705 -15.000 710 HA GLU 2 HA GLU 2 -5.953 0.325 -15.488 711 1HB GLU 2 1HB GLU 2 -7.161 2.496 -15.673 712 2HB GLU 2 2HB GLU 2 -7.208 2.614 -13.904 713 1HG GLU 2 1HG GLU 2 -4.696 2.608 -13.871 714 2HG GLU 2 2HG GLU 2 -4.693 2.487 -15.638 715 H LEU 3 H LEU 3 -7.519 0.788 -12.301 716 HA LEU 3 HA LEU 3 -5.170 0.516 -10.696 717 1HB LEU 3 1HB LEU 3 -8.038 -0.150 -10.059 718 2HB LEU 3 2HB LEU 3 -6.712 0.040 -8.884 719 HG LEU 3 HG LEU 3 -8.031 2.168 -10.624 720 1HD1 LEU 3 1HD1 LEU 3 -7.515 1.871 -7.635 721 2HD1 LEU 3 2HD1 LEU 3 -8.319 3.255 -8.397 722 3HD1 LEU 3 3HD1 LEU 3 -9.066 1.648 -8.460 723 1HD2 LEU 3 1HD2 LEU 3 -5.408 2.380 -9.103 724 2HD2 LEU 3 2HD2 LEU 3 -5.658 2.672 -10.843 725 3HD2 LEU 3 3HD2 LEU 3 -6.350 3.771 -9.666 726 H GLU 4 H GLU 4 -7.252 -1.961 -12.198 727 HA GLU 4 HA GLU 4 -6.148 -4.147 -10.664 728 1HB GLU 4 1HB GLU 4 -8.363 -3.994 -12.042 729 2HB GLU 4 2HB GLU 4 -7.358 -4.425 -13.429 730 1HG GLU 4 1HG GLU 4 -6.725 -6.525 -12.395 731 2HG GLU 4 2HG GLU 4 -7.412 -6.039 -10.835 732 H LYS 5 H LYS 5 -5.506 -2.536 -13.758 733 HA LYS 5 HA LYS 5 -3.486 -4.272 -14.761 734 1HB LYS 5 1HB LYS 5 -4.781 -2.302 -15.881 735 2HB LYS 5 2HB LYS 5 -3.468 -1.290 -15.280 736 1HG LYS 5 1HG LYS 5 -3.252 -3.694 -17.141 737 2HG LYS 5 2HG LYS 5 -3.108 -1.987 -17.581 738 1HD LYS 5 1HD LYS 5 -1.099 -1.862 -15.981 739 2HD LYS 5 2HD LYS 5 -1.156 -3.636 -15.917 740 1HE LYS 5 1HE LYS 5 -0.784 -1.946 -18.429 741 2HE LYS 5 2HE LYS 5 0.473 -2.856 -17.576 742 1HZ LYS 5 1HZ LYS 5 -1.891 -4.014 -18.874 743 2HZ LYS 5 2HZ LYS 5 -0.347 -4.060 -19.443 744 3HZ LYS 5 3HZ LYS 5 -0.737 -4.863 -18.058 745 H ALA 6 H ALA 6 -3.332 -1.248 -12.875 746 HA ALA 6 HA ALA 6 -0.577 -1.101 -12.347 747 1HB ALA 6 1HB ALA 6 -1.277 0.250 -10.381 748 2HB ALA 6 2HB ALA 6 -2.173 0.688 -11.854 749 3HB ALA 6 3HB ALA 6 -2.940 -0.300 -10.603 750 H VAL 7 H VAL 7 -3.139 -2.715 -10.396 751 HA VAL 7 HA VAL 7 -1.510 -3.801 -8.395 752 HB VAL 7 HB VAL 7 -4.171 -4.493 -9.605 753 1HG1 VAL 7 1HG1 VAL 7 -2.922 -6.132 -7.398 754 2HG1 VAL 7 2HG1 VAL 7 -4.612 -6.176 -7.923 755 3HG1 VAL 7 3HG1 VAL 7 -3.340 -6.707 -9.029 756 1HG2 VAL 7 1HG2 VAL 7 -4.983 -3.801 -7.422 757 2HG2 VAL 7 2HG2 VAL 7 -3.327 -3.723 -6.785 758 3HG2 VAL 7 3HG2 VAL 7 -3.859 -2.565 -8.010 759 H VAL 8 H VAL 8 -2.463 -5.499 -11.502 760 HA VAL 8 HA VAL 8 -0.728 -7.694 -10.855 761 HB VAL 8 HB VAL 8 -0.870 -8.407 -13.161 762 1HG1 VAL 8 1HG1 VAL 8 -3.299 -8.810 -13.198 763 2HG1 VAL 8 2HG1 VAL 8 -2.608 -9.035 -11.584 764 3HG1 VAL 8 3HG1 VAL 8 -3.535 -7.561 -11.960 765 1HG2 VAL 8 1HG2 VAL 8 -2.553 -5.954 -13.693 766 2HG2 VAL 8 2HG2 VAL 8 -0.918 -6.217 -14.343 767 3HG2 VAL 8 3HG2 VAL 8 -2.247 -7.284 -14.814 768 H ALA 9 H ALA 9 -0.094 -4.623 -12.568 769 HA ALA 9 HA ALA 9 2.510 -5.257 -13.461 770 1HB ALA 9 1HB ALA 9 2.918 -2.874 -13.562 771 2HB ALA 9 2HB ALA 9 1.284 -3.232 -14.154 772 3HB ALA 9 3HB ALA 9 1.517 -2.533 -12.538 773 H LEU 10 H LEU 10 1.465 -3.886 -10.276 774 HA LEU 10 HA LEU 10 4.078 -3.723 -9.122 775 1HB LEU 10 1HB LEU 10 1.395 -4.333 -7.815 776 2HB LEU 10 2HB LEU 10 2.877 -3.980 -6.929 777 HG LEU 10 HG LEU 10 1.543 -2.029 -8.858 778 1HD1 LEU 10 1HD1 LEU 10 0.135 -2.504 -6.877 779 2HD1 LEU 10 2HD1 LEU 10 1.511 -2.137 -5.814 780 3HD1 LEU 10 3HD1 LEU 10 0.799 -0.862 -6.825 781 1HD2 LEU 10 1HD2 LEU 10 3.918 -1.547 -8.646 782 2HD2 LEU 10 2HD2 LEU 10 3.003 -0.363 -7.710 783 3HD2 LEU 10 3HD2 LEU 10 3.828 -1.693 -6.873 784 H ILE 11 H ILE 11 1.738 -6.450 -9.101 785 HA ILE 11 HA ILE 11 3.384 -8.202 -7.595 786 HB ILE 11 HB ILE 11 1.270 -8.778 -9.712 787 1HG1 ILE 11 1HG1 ILE 11 1.189 -8.725 -6.655 788 2HG1 ILE 11 2HG1 ILE 11 0.446 -7.564 -7.749 789 1HG2 ILE 11 1HG2 ILE 11 1.140 -11.061 -8.913 790 2HG2 ILE 11 2HG2 ILE 11 2.779 -10.765 -9.448 791 3HG2 ILE 11 3HG2 ILE 11 2.404 -10.761 -7.712 792 1HD1 ILE 11 1HD1 ILE 11 -0.979 -9.448 -8.663 793 2HD1 ILE 11 2HD1 ILE 11 -0.353 -10.466 -7.335 794 3HD1 ILE 11 3HD1 ILE 11 -1.274 -9.005 -6.970 795 H ASP 12 H ASP 12 3.113 -7.838 -11.135 796 HA ASP 12 HA ASP 12 4.996 -9.820 -11.848 797 1HB ASP 12 1HB ASP 12 3.365 -8.875 -13.398 798 2HB ASP 12 2HB ASP 12 4.105 -7.277 -13.271 799 H VAL 13 H VAL 13 5.450 -6.262 -11.561 800 HA VAL 13 HA VAL 13 8.214 -6.136 -12.111 801 HB VAL 13 HB VAL 13 6.387 -4.459 -10.339 802 1HG1 VAL 13 1HG1 VAL 13 9.309 -3.919 -11.013 803 2HG1 VAL 13 2HG1 VAL 13 8.172 -2.741 -10.328 804 3HG1 VAL 13 3HG1 VAL 13 8.631 -4.159 -9.386 805 1HG2 VAL 13 1HG2 VAL 13 6.133 -4.453 -12.881 806 2HG2 VAL 13 2HG2 VAL 13 6.574 -2.885 -12.183 807 3HG2 VAL 13 3HG2 VAL 13 7.808 -3.886 -12.982 808 H PHE 14 H PHE 14 6.548 -6.494 -8.931 809 HA PHE 14 HA PHE 14 8.881 -6.709 -7.406 810 1HB PHE 14 1HB PHE 14 6.570 -6.481 -6.536 811 2HB PHE 14 2HB PHE 14 6.270 -8.177 -6.905 812 HD1 PHE 14 HD1 PHE 14 7.958 -5.829 -4.629 813 HD2 PHE 14 HD2 PHE 14 7.561 -9.987 -5.710 814 HE1 PHE 14 HE1 PHE 14 8.661 -6.507 -2.350 815 HE2 PHE 14 HE2 PHE 14 8.214 -10.637 -3.423 816 HZ PHE 14 HZ PHE 14 8.692 -8.908 -1.711 817 H HIS 15 H HIS 15 7.039 -9.377 -9.019 818 HA HIS 15 HA HIS 15 8.639 -11.523 -8.159 819 1HB HIS 15 1HB HIS 15 7.012 -11.092 -10.667 820 2HB HIS 15 2HB HIS 15 8.008 -12.523 -10.460 821 HD1 HIS 15 HD1 HIS 15 5.316 -10.794 -8.231 822 HD2 HIS 15 HD2 HIS 15 6.717 -14.533 -9.566 823 HE1 HIS 15 HE1 HIS 15 3.787 -12.588 -7.201 824 H GLN 16 H GLN 16 9.221 -9.340 -10.991 825 HA GLN 16 HA GLN 16 11.536 -10.742 -11.898 826 1HB GLN 16 1HB GLN 16 10.751 -7.812 -12.162 827 2HB GLN 16 2HB GLN 16 12.334 -8.404 -12.654 828 1HG GLN 16 1HG GLN 16 11.219 -8.547 -14.633 829 2HG GLN 16 2HG GLN 16 11.110 -10.203 -14.047 830 1HE2 GLN 16 1HE2 GLN 16 9.361 -7.062 -14.148 831 2HE2 GLN 16 2HE2 GLN 16 7.763 -7.786 -14.278 832 H TYR 17 H TYR 17 11.321 -8.127 -9.424 833 HA TYR 17 HA TYR 17 14.226 -8.152 -9.052 834 1HB TYR 17 1HB TYR 17 11.994 -6.802 -7.545 835 2HB TYR 17 2HB TYR 17 13.684 -6.730 -7.054 836 HD1 TYR 17 HD1 TYR 17 11.343 -5.815 -9.785 837 HD2 TYR 17 HD2 TYR 17 15.289 -5.300 -8.155 838 HE1 TYR 17 HE1 TYR 17 11.721 -3.954 -11.341 839 HE2 TYR 17 HE2 TYR 17 15.636 -3.349 -9.668 840 HH TYR 17 HH TYR 17 13.090 -2.213 -11.895 841 H SER 18 H SER 18 11.459 -9.519 -7.173 842 HA SER 18 HA SER 18 13.079 -10.461 -4.992 843 1HB SER 18 1HB SER 18 11.070 -11.721 -4.418 844 2HB SER 18 2HB SER 18 10.699 -10.030 -4.775 845 HG SER 18 HG SER 18 9.323 -11.701 -5.756 846 H GLY 19 H GLY 19 12.362 -11.783 -8.207 847 1HA GLY 19 1HA GLY 19 13.089 -14.490 -7.671 848 2HA GLY 19 2HA GLY 19 13.149 -13.648 -9.233 849 H ARG 20 H ARG 20 15.041 -11.540 -7.934 850 HA ARG 20 HA ARG 20 17.344 -12.936 -9.014 851 1HB ARG 20 1HB ARG 20 17.352 -10.173 -7.821 852 2HB ARG 20 2HB ARG 20 18.434 -10.863 -9.043 853 1HG ARG 20 1HG ARG 20 16.247 -11.075 -10.515 854 2HG ARG 20 2HG ARG 20 15.537 -10.053 -9.288 855 1HD ARG 20 1HD ARG 20 17.425 -8.423 -9.577 856 2HD ARG 20 2HD ARG 20 17.834 -9.285 -11.082 857 HE ARG 20 HE ARG 20 15.106 -8.779 -11.249 858 1HH1 ARG 20 2HH2 ARG 20 18.000 -6.820 -10.783 859 2HH1 ARG 20 1HH2 ARG 20 17.278 -5.315 -11.244 860 1HH2 ARG 20 2HH1 ARG 20 14.134 -6.820 -12.020 861 2HH2 ARG 20 1HH1 ARG 20 15.076 -5.355 -12.129 862 H GLU 21 H GLU 21 16.613 -11.436 -5.792 863 HA GLU 21 HA GLU 21 18.424 -13.394 -4.574 864 1HB GLU 21 1HB GLU 21 18.790 -10.443 -3.992 865 2HB GLU 21 2HB GLU 21 19.631 -11.807 -3.244 866 1HG GLU 21 1HG GLU 21 20.657 -12.382 -5.429 867 2HG GLU 21 2HG GLU 21 19.897 -10.953 -6.151 868 H GLY 22 H GLY 22 17.706 -14.101 -2.676 869 1HA GLY 22 1HA GLY 22 16.609 -13.836 -0.549 870 2HA GLY 22 2HA GLY 22 15.447 -12.714 -1.285 871 H ASP 23 H ASP 23 13.588 -13.605 -2.135 872 HA ASP 23 HA ASP 23 13.563 -16.043 -3.581 873 1HB ASP 23 1HB ASP 23 12.047 -17.352 -2.241 874 2HB ASP 23 2HB ASP 23 13.411 -16.961 -1.191 875 H LYS 24 H LYS 24 11.225 -16.295 -4.430 876 HA LYS 24 HA LYS 24 10.503 -13.915 -5.582 877 1HB LYS 24 1HB LYS 24 8.972 -16.492 -5.193 878 2HB LYS 24 2HB LYS 24 8.264 -15.147 -6.088 879 1HG LYS 24 1HG LYS 24 10.994 -16.269 -6.827 880 2HG LYS 24 2HG LYS 24 9.469 -16.905 -7.468 881 1HD LYS 24 1HD LYS 24 8.866 -14.633 -8.303 882 2HD LYS 24 2HD LYS 24 10.433 -14.013 -7.779 883 1HE LYS 24 1HE LYS 24 11.580 -15.636 -9.270 884 2HE LYS 24 2HE LYS 24 10.010 -16.250 -9.813 885 1HZ LYS 24 1HZ LYS 24 9.507 -14.142 -10.709 886 2HZ LYS 24 2HZ LYS 24 10.868 -13.453 -10.092 887 3HZ LYS 24 3HZ LYS 24 10.983 -14.593 -11.283 888 H HIS 25 H HIS 25 9.391 -14.931 -2.381 889 HA HIS 25 HA HIS 25 7.125 -13.052 -2.429 890 1HB HIS 25 1HB HIS 25 8.288 -14.703 -0.163 891 2HB HIS 25 2HB HIS 25 6.829 -13.726 -0.094 892 HD1 HIS 25 HD1 HIS 25 4.600 -14.880 -0.813 893 HD2 HIS 25 HD2 HIS 25 8.116 -16.913 -1.955 894 HE1 HIS 25 HE1 HIS 25 3.893 -17.179 -1.649 895 H LYS 26 H LYS 26 10.541 -12.628 -1.936 896 HA LYS 26 HA LYS 26 10.038 -10.249 -0.242 897 1HB LYS 26 1HB LYS 26 12.248 -12.254 0.288 898 2HB LYS 26 2HB LYS 26 11.787 -10.862 1.276 899 1HG LYS 26 1HG LYS 26 9.519 -12.101 1.626 900 2HG LYS 26 2HG LYS 26 10.327 -13.505 0.915 901 1HD LYS 26 1HD LYS 26 12.093 -13.376 2.637 902 2HD LYS 26 2HD LYS 26 11.315 -11.939 3.344 903 1HE LYS 26 1HE LYS 26 9.265 -13.333 3.785 904 2HE LYS 26 2HE LYS 26 10.143 -14.751 3.171 905 1HZ LYS 26 1HZ LYS 26 10.901 -13.097 5.475 906 2HZ LYS 26 2HZ LYS 26 10.271 -14.618 5.535 907 3HZ LYS 26 3HZ LYS 26 11.778 -14.366 4.906 908 H LEU 27 H LEU 27 11.839 -8.762 -0.099 909 HA LEU 27 HA LEU 27 13.764 -8.887 -2.411 910 1HB LEU 27 1HB LEU 27 12.458 -6.482 -1.079 911 2HB LEU 27 2HB LEU 27 13.760 -6.386 -2.269 912 HG LEU 27 HG LEU 27 11.058 -7.631 -2.868 913 1HD1 LEU 27 1HD1 LEU 27 10.574 -5.461 -4.019 914 2HD1 LEU 27 2HD1 LEU 27 10.804 -5.233 -2.273 915 3HD1 LEU 27 3HD1 LEU 27 12.107 -4.815 -3.407 916 1HD2 LEU 27 1HD2 LEU 27 11.696 -7.314 -5.201 917 2HD2 LEU 27 2HD2 LEU 27 13.230 -6.558 -4.716 918 3HD2 LEU 27 3HD2 LEU 27 12.944 -8.279 -4.399 919 H LYS 28 H LYS 28 15.860 -8.890 -1.820 920 HA LYS 28 HA LYS 28 16.755 -8.484 0.943 921 1HB LYS 28 1HB LYS 28 18.208 -8.659 -1.716 922 2HB LYS 28 2HB LYS 28 19.027 -8.602 -0.167 923 1HG LYS 28 1HG LYS 28 16.956 -10.752 -0.585 924 2HG LYS 28 2HG LYS 28 18.443 -10.860 -1.504 925 1HD LYS 28 1HD LYS 28 18.288 -10.681 1.543 926 2HD LYS 28 2HD LYS 28 18.496 -12.162 0.613 927 1HE LYS 28 1HE LYS 28 20.492 -9.867 0.879 928 2HE LYS 28 2HE LYS 28 20.639 -11.523 1.457 929 1HZ LYS 28 1HZ LYS 28 20.575 -10.686 -1.354 930 2HZ LYS 28 2HZ LYS 28 21.884 -11.219 -0.512 931 3HZ LYS 28 3HZ LYS 28 20.639 -12.251 -0.832 932 H LYS 29 H LYS 29 18.505 -6.780 1.358 933 HA LYS 29 HA LYS 29 17.638 -4.155 0.752 934 1HB LYS 29 1HB LYS 29 19.807 -3.381 1.563 935 2HB LYS 29 2HB LYS 29 19.081 -4.541 2.645 936 1HG LYS 29 1HG LYS 29 20.571 -6.341 1.759 937 2HG LYS 29 2HG LYS 29 21.330 -5.155 0.675 938 1HD LYS 29 1HD LYS 29 22.063 -3.819 2.602 939 2HD LYS 29 2HD LYS 29 21.266 -4.944 3.718 940 1HE LYS 29 1HE LYS 29 22.734 -6.775 2.997 941 2HE LYS 29 2HE LYS 29 23.495 -5.734 1.776 942 1HZ LYS 29 1HZ LYS 29 24.385 -4.399 3.465 943 2HZ LYS 29 2HZ LYS 29 23.574 -5.209 4.661 944 3HZ LYS 29 3HZ LYS 29 24.766 -5.960 3.805 945 H SER 30 H SER 30 19.895 -6.275 -1.090 946 HA SER 30 HA SER 30 20.897 -4.268 -2.837 947 1HB SER 30 1HB SER 30 21.064 -6.477 -4.310 948 2HB SER 30 2HB SER 30 22.029 -6.337 -2.827 949 HG SER 30 HG SER 30 20.750 -8.329 -3.061 950 H GLU 31 H GLU 31 18.198 -6.611 -3.144 951 HA GLU 31 HA GLU 31 17.397 -5.651 -5.717 952 1HB GLU 31 1HB GLU 31 15.649 -7.203 -3.761 953 2HB GLU 31 2HB GLU 31 15.527 -7.127 -5.526 954 1HG GLU 31 1HG GLU 31 17.683 -8.466 -3.871 955 2HG GLU 31 2HG GLU 31 16.585 -9.247 -5.001 956 H LEU 32 H LEU 32 16.121 -5.025 -2.465 957 HA LEU 32 HA LEU 32 14.024 -3.292 -3.190 958 1HB LEU 32 1HB LEU 32 14.346 -4.460 -1.045 959 2HB LEU 32 2HB LEU 32 15.693 -3.387 -0.638 960 HG LEU 32 HG LEU 32 13.377 -3.051 0.422 961 1HD1 LEU 32 1HD1 LEU 32 15.160 -1.503 0.730 962 2HD1 LEU 32 2HD1 LEU 32 14.795 -0.668 -0.800 963 3HD1 LEU 32 3HD1 LEU 32 13.636 -0.625 0.548 964 1HD2 LEU 32 1HD2 LEU 32 12.010 -3.161 -1.624 965 2HD2 LEU 32 2HD2 LEU 32 11.758 -1.661 -0.719 966 3HD2 LEU 32 3HD2 LEU 32 12.737 -1.641 -2.194 967 H LYS 33 H LYS 33 17.470 -2.609 -2.403 968 HA LYS 33 HA LYS 33 17.418 0.200 -2.598 969 1HB LYS 33 1HB LYS 33 19.337 -1.050 -1.736 970 2HB LYS 33 2HB LYS 33 19.582 -1.832 -3.282 971 1HG LYS 33 1HG LYS 33 20.127 0.455 -4.254 972 2HG LYS 33 2HG LYS 33 19.997 1.111 -2.604 973 1HD LYS 33 1HD LYS 33 21.725 -0.621 -1.886 974 2HD LYS 33 2HD LYS 33 21.894 -1.081 -3.585 975 1HE LYS 33 1HE LYS 33 22.544 1.624 -2.328 976 2HE LYS 33 2HE LYS 33 23.692 0.442 -2.968 977 1HZ LYS 33 1HZ LYS 33 23.365 2.131 -4.549 978 2HZ LYS 33 2HZ LYS 33 22.641 0.774 -5.142 979 3HZ LYS 33 3HZ LYS 33 21.728 1.991 -4.494 980 H GLU 34 H GLU 34 18.241 -2.187 -5.234 981 HA GLU 34 HA GLU 34 18.450 -0.011 -7.113 982 1HB GLU 34 1HB GLU 34 18.508 -1.654 -8.884 983 2HB GLU 34 2HB GLU 34 19.660 -2.022 -7.597 984 1HG GLU 34 1HG GLU 34 18.324 -3.844 -6.792 985 2HG GLU 34 2HG GLU 34 16.950 -3.411 -7.802 986 H LEU 35 H LEU 35 15.773 -2.224 -6.305 987 HA LEU 35 HA LEU 35 13.862 -1.444 -8.189 988 1HB LEU 35 1HB LEU 35 13.575 -3.261 -6.655 989 2HB LEU 35 2HB LEU 35 13.705 -2.207 -5.262 990 HG LEU 35 HG LEU 35 11.484 -3.078 -5.612 991 1HD1 LEU 35 1HD1 LEU 35 10.242 -1.127 -5.140 992 2HD1 LEU 35 2HD1 LEU 35 11.861 -0.850 -4.525 993 3HD1 LEU 35 3HD1 LEU 35 11.319 -0.077 -6.037 994 1HD2 LEU 35 1HD2 LEU 35 10.043 -2.488 -7.439 995 2HD2 LEU 35 2HD2 LEU 35 11.303 -1.460 -8.177 996 3HD2 LEU 35 3HD2 LEU 35 11.518 -3.220 -8.078 997 H ILE 36 H ILE 36 14.493 0.102 -4.954 998 HA ILE 36 HA ILE 36 12.629 2.218 -5.428 999 HB ILE 36 HB ILE 36 14.940 1.924 -3.478 1000 1HG1 ILE 36 1HG1 ILE 36 11.888 1.845 -3.239 1001 2HG1 ILE 36 2HG1 ILE 36 12.998 0.478 -3.130 1002 1HG2 ILE 36 1HG2 ILE 36 14.018 3.929 -2.325 1003 2HG2 ILE 36 2HG2 ILE 36 14.714 4.335 -3.883 1004 3HG2 ILE 36 3HG2 ILE 36 12.954 4.225 -3.696 1005 1HD1 ILE 36 1HD1 ILE 36 14.035 1.587 -1.092 1006 2HD1 ILE 36 2HD1 ILE 36 12.655 2.713 -1.113 1007 3HD1 ILE 36 3HD1 ILE 36 12.372 0.985 -0.913 1008 H ASN 37 H ASN 37 16.210 2.217 -5.649 1009 HA ASN 37 HA ASN 37 16.630 4.851 -6.492 1010 1HB ASN 37 1HB ASN 37 18.055 2.250 -7.174 1011 2HB ASN 37 2HB ASN 37 18.537 3.778 -7.927 1012 1HD2 ASN 37 2HD2 ASN 37 18.209 2.202 -4.727 1013 2HD2 ASN 37 1HD2 ASN 37 19.504 3.171 -4.003 1014 H ASN 38 H ASN 38 15.779 2.021 -8.503 1015 HA ASN 38 HA ASN 38 16.013 3.528 -10.986 1016 1HB ASN 38 1HB ASN 38 16.635 1.170 -10.815 1017 2HB ASN 38 2HB ASN 38 15.001 0.751 -10.248 1018 1HD2 ASN 38 2HD2 ASN 38 14.868 -0.837 -11.940 1019 2HD2 ASN 38 1HD2 ASN 38 14.530 -0.291 -13.579 1020 H GLU 39 H GLU 39 13.255 1.859 -9.306 1021 HA GLU 39 HA GLU 39 11.456 3.115 -11.277 1022 1HB GLU 39 1HB GLU 39 10.851 0.901 -9.303 1023 2HB GLU 39 2HB GLU 39 9.890 1.471 -10.687 1024 1HG GLU 39 1HG GLU 39 12.006 0.917 -12.118 1025 2HG GLU 39 2HG GLU 39 12.553 0.000 -10.707 1026 H LEU 40 H LEU 40 12.372 3.849 -8.055 1027 HA LEU 40 HA LEU 40 9.842 5.406 -7.737 1028 1HB LEU 40 1HB LEU 40 10.455 3.500 -6.084 1029 2HB LEU 40 2HB LEU 40 11.713 4.597 -5.513 1030 HG LEU 40 HG LEU 40 10.034 6.216 -4.788 1031 1HD1 LEU 40 1HD1 LEU 40 7.627 5.505 -4.753 1032 2HD1 LEU 40 2HD1 LEU 40 8.171 5.870 -6.393 1033 3HD1 LEU 40 3HD1 LEU 40 8.016 4.177 -5.857 1034 1HD2 LEU 40 1HD2 LEU 40 9.405 3.356 -3.965 1035 2HD2 LEU 40 2HD2 LEU 40 10.711 4.356 -3.291 1036 3HD2 LEU 40 3HD2 LEU 40 9.017 4.804 -3.016 1037 H SER 41 H SER 41 12.613 5.813 -9.101 1038 HA SER 41 HA SER 41 14.383 7.507 -7.974 1039 1HB SER 41 1HB SER 41 14.443 8.433 -10.452 1040 2HB SER 41 2HB SER 41 14.849 6.751 -10.143 1041 HG SER 41 HG SER 41 13.176 6.117 -11.203 1042 H HIS 42 H HIS 42 11.181 8.427 -9.175 1043 HA HIS 42 HA HIS 42 11.827 11.296 -9.147 1044 1HB HIS 42 1HB HIS 42 9.226 9.849 -9.756 1045 2HB HIS 42 2HB HIS 42 9.573 11.554 -10.012 1046 HD1 HIS 42 HD1 HIS 42 11.701 8.433 -11.196 1047 HD2 HIS 42 HD2 HIS 42 9.670 11.877 -12.565 1048 HE1 HIS 42 HE1 HIS 42 12.090 8.571 -13.686 1049 H PHE 43 H PHE 43 10.346 8.933 -7.027 1050 HA PHE 43 HA PHE 43 8.999 11.022 -5.362 1051 1HB PHE 43 1HB PHE 43 8.816 8.017 -5.546 1052 2HB PHE 43 2HB PHE 43 8.342 8.862 -4.087 1053 HD1 PHE 43 HD1 PHE 43 6.035 8.978 -3.856 1054 HD2 PHE 43 HD2 PHE 43 7.739 9.505 -7.785 1055 HE1 PHE 43 HE1 PHE 43 3.773 8.956 -4.838 1056 HE2 PHE 43 HE2 PHE 43 5.466 9.725 -8.730 1057 HZ PHE 43 HZ PHE 43 3.476 9.454 -7.273 1058 H LEU 44 H LEU 44 11.578 8.545 -5.310 1059 HA LEU 44 HA LEU 44 12.682 9.794 -2.845 1060 1HB LEU 44 1HB LEU 44 12.482 6.865 -3.612 1061 2HB LEU 44 2HB LEU 44 13.919 7.461 -2.783 1062 HG LEU 44 HG LEU 44 12.369 8.564 -1.078 1063 1HD1 LEU 44 1HD1 LEU 44 10.452 6.523 -2.286 1064 2HD1 LEU 44 2HD1 LEU 44 10.238 7.353 -0.736 1065 3HD1 LEU 44 3HD1 LEU 44 10.215 8.279 -2.249 1066 1HD2 LEU 44 1HD2 LEU 44 12.195 6.448 0.232 1067 2HD2 LEU 44 2HD2 LEU 44 12.576 5.526 -1.237 1068 3HD2 LEU 44 3HD2 LEU 44 13.777 6.628 -0.531 1069 H GLU 45 H GLU 45 14.556 10.583 -3.053 1070 HA GLU 45 HA GLU 45 16.010 10.772 -5.518 1071 1HB GLU 45 1HB GLU 45 15.962 12.228 -3.237 1072 2HB GLU 45 2HB GLU 45 17.367 11.234 -2.851 1073 1HG GLU 45 1HG GLU 45 17.053 12.876 -5.422 1074 2HG GLU 45 2HG GLU 45 17.737 13.529 -3.934 1075 H GLU 46 H GLU 46 18.299 9.951 -5.760 1076 HA GLU 46 HA GLU 46 18.507 7.200 -5.693 1077 1HB GLU 46 1HB GLU 46 19.861 8.903 -7.045 1078 2HB GLU 46 2HB GLU 46 20.753 9.288 -5.563 1079 1HG GLU 46 1HG GLU 46 21.526 6.856 -5.516 1080 2HG GLU 46 2HG GLU 46 20.742 6.657 -7.095 1081 H ILE 47 H ILE 47 19.485 5.750 -4.452 1082 HA ILE 47 HA ILE 47 20.260 6.473 -1.665 1083 HB ILE 47 HB ILE 47 18.688 3.935 -2.201 1084 1HG1 ILE 47 1HG1 ILE 47 17.599 6.725 -1.911 1085 2HG1 ILE 47 2HG1 ILE 47 17.264 5.543 -3.198 1086 1HG2 ILE 47 1HG2 ILE 47 19.936 4.326 -0.063 1087 2HG2 ILE 47 2HG2 ILE 47 18.967 5.790 0.203 1088 3HG2 ILE 47 3HG2 ILE 47 18.191 4.197 0.174 1089 1HD1 ILE 47 1HD1 ILE 47 15.394 5.669 -1.836 1090 2HD1 ILE 47 2HD1 ILE 47 16.168 4.096 -1.492 1091 3HD1 ILE 47 3HD1 ILE 47 16.305 5.450 -0.328 1092 H LYS 48 H LYS 48 22.351 6.379 -2.332 1093 HA LYS 48 HA LYS 48 23.550 3.835 -3.270 1094 1HB LYS 48 1HB LYS 48 25.664 5.129 -3.181 1095 2HB LYS 48 2HB LYS 48 24.448 5.776 -4.290 1096 1HG LYS 48 1HG LYS 48 23.855 7.548 -2.665 1097 2HG LYS 48 2HG LYS 48 25.042 6.892 -1.513 1098 1HD LYS 48 1HD LYS 48 26.851 7.381 -3.124 1099 2HD LYS 48 2HD LYS 48 25.653 7.945 -4.310 1100 1HE LYS 48 1HE LYS 48 24.919 9.729 -2.749 1101 2HE LYS 48 2HE LYS 48 26.106 9.178 -1.550 1102 1HZ LYS 48 1HZ LYS 48 27.831 9.703 -3.115 1103 2HZ LYS 48 2HZ LYS 48 26.726 10.201 -4.232 1104 3HZ LYS 48 3HZ LYS 48 26.898 11.029 -2.819 1105 H GLU 49 H GLU 49 22.935 5.694 -0.365 1106 HA GLU 49 HA GLU 49 24.960 4.523 1.283 1107 1HB GLU 49 1HB GLU 49 22.395 5.945 2.124 1108 2HB GLU 49 2HB GLU 49 23.876 5.692 3.055 1109 1HG GLU 49 1HG GLU 49 24.352 7.794 2.378 1110 2HG GLU 49 2HG GLU 49 24.961 6.999 0.937 1111 H GLN 50 H GLN 50 24.656 2.287 0.806 1112 HA GLN 50 HA GLN 50 22.588 0.631 1.048 1113 1HB GLN 50 1HB GLN 50 24.897 -0.027 0.563 1114 2HB GLN 50 2HB GLN 50 25.253 -0.034 2.302 1115 1HG GLN 50 1HG GLN 50 23.524 -1.759 2.668 1116 2HG GLN 50 2HG GLN 50 23.037 -1.686 0.967 1117 1HE2 GLN 50 1HE2 GLN 50 24.809 -2.211 -0.668 1118 2HE2 GLN 50 2HE2 GLN 50 25.924 -3.489 -0.209 1119 H GLU 51 H GLU 51 24.240 2.056 3.851 1120 HA GLU 51 HA GLU 51 23.023 0.578 5.937 1121 1HB GLU 51 1HB GLU 51 23.916 3.509 5.985 1122 2HB GLU 51 2HB GLU 51 23.639 2.444 7.357 1123 1HG GLU 51 1HG GLU 51 25.943 2.410 7.168 1124 2HG GLU 51 2HG GLU 51 25.472 0.905 6.375 1125 H VAL 52 H VAL 52 21.918 3.458 4.118 1126 HA VAL 52 HA VAL 52 19.750 3.981 5.987 1127 HB VAL 52 HB VAL 52 20.240 5.208 3.236 1128 1HG1 VAL 52 1HG1 VAL 52 17.979 5.634 3.994 1129 2HG1 VAL 52 2HG1 VAL 52 18.532 5.966 5.652 1130 3HG1 VAL 52 3HG1 VAL 52 18.945 7.080 4.349 1131 1HG2 VAL 52 1HG2 VAL 52 21.305 7.044 4.463 1132 2HG2 VAL 52 2HG2 VAL 52 21.101 6.183 6.003 1133 3HG2 VAL 52 3HG2 VAL 52 22.205 5.558 4.765 1134 H VAL 53 H VAL 53 20.058 2.633 2.657 1135 HA VAL 53 HA VAL 53 17.279 2.052 2.366 1136 HB VAL 53 HB VAL 53 18.346 1.884 0.395 1137 1HG1 VAL 53 1HG1 VAL 53 20.648 1.556 1.106 1138 2HG1 VAL 53 2HG1 VAL 53 20.299 -0.167 1.471 1139 3HG1 VAL 53 3HG1 VAL 53 20.201 0.449 -0.186 1140 1HG2 VAL 53 1HG2 VAL 53 17.996 -1.045 1.190 1141 2HG2 VAL 53 2HG2 VAL 53 16.660 0.109 0.908 1142 3HG2 VAL 53 3HG2 VAL 53 17.769 -0.302 -0.397 1143 H ASP 54 H ASP 54 19.952 0.095 3.769 1144 HA ASP 54 HA ASP 54 18.427 -2.118 4.560 1145 1HB ASP 54 1HB ASP 54 20.875 -2.034 4.698 1146 2HB ASP 54 2HB ASP 54 20.787 -0.859 6.019 1147 H LYS 55 H LYS 55 19.010 0.993 6.373 1148 HA LYS 55 HA LYS 55 17.511 0.256 8.626 1149 1HB LYS 55 1HB LYS 55 18.999 2.190 8.524 1150 2HB LYS 55 2HB LYS 55 17.862 3.071 7.496 1151 1HG LYS 55 1HG LYS 55 16.911 1.938 10.141 1152 2HG LYS 55 2HG LYS 55 17.931 3.385 10.144 1153 1HD LYS 55 1HD LYS 55 16.313 4.596 8.739 1154 2HD LYS 55 2HD LYS 55 15.275 3.170 8.658 1155 1HE LYS 55 1HE LYS 55 15.236 3.206 11.235 1156 2HE LYS 55 2HE LYS 55 15.915 4.840 11.102 1157 1HZ LYS 55 1HZ LYS 55 13.397 3.840 9.967 1158 2HZ LYS 55 2HZ LYS 55 13.551 4.880 11.235 1159 3HZ LYS 55 3HZ LYS 55 13.981 5.370 9.718 1160 H VAL 56 H VAL 56 16.331 2.001 5.654 1161 HA VAL 56 HA VAL 56 13.677 2.179 6.765 1162 HB VAL 56 HB VAL 56 12.843 2.822 4.609 1163 1HG1 VAL 56 1HG1 VAL 56 14.094 4.908 4.414 1164 2HG1 VAL 56 2HG1 VAL 56 13.861 4.480 6.117 1165 3HG1 VAL 56 3HG1 VAL 56 15.445 4.226 5.347 1166 1HG2 VAL 56 1HG2 VAL 56 14.310 3.140 2.680 1167 2HG2 VAL 56 2HG2 VAL 56 15.649 2.434 3.596 1168 3HG2 VAL 56 3HG2 VAL 56 14.266 1.423 3.120 1169 H MET 57 H MET 57 15.255 -0.374 4.782 1170 HA MET 57 HA MET 57 12.767 -1.792 4.466 1171 1HB MET 57 1HB MET 57 13.867 -3.327 3.379 1172 2HB MET 57 2HB MET 57 15.168 -2.144 3.329 1173 1HG MET 57 1HG MET 57 16.198 -3.299 5.324 1174 2HG MET 57 2HG MET 57 14.900 -4.502 5.254 1175 1HE MET 57 1HE MET 57 15.649 -6.288 1.931 1176 2HE MET 57 2HE MET 57 14.436 -5.934 3.174 1177 3HE MET 57 3HE MET 57 14.771 -4.752 1.878 1178 H GLU 58 H GLU 58 15.403 -2.042 6.885 1179 HA GLU 58 HA GLU 58 14.404 -4.082 8.491 1180 1HB GLU 58 1HB GLU 58 16.644 -3.147 8.688 1181 2HB GLU 58 2HB GLU 58 15.998 -1.608 9.284 1182 1HG GLU 58 1HG GLU 58 15.149 -2.682 11.307 1183 2HG GLU 58 2HG GLU 58 15.558 -4.276 10.664 1184 H THR 59 H THR 59 13.783 -0.627 8.620 1185 HA THR 59 HA THR 59 12.123 -0.354 10.842 1186 HB THR 59 HB THR 59 12.294 0.996 8.145 1187 HG1 THR 59 HG1 THR 59 13.965 1.323 9.478 1188 1HG2 THR 59 1HG2 THR 59 10.029 1.491 8.608 1189 2HG2 THR 59 2HG2 THR 59 10.405 1.902 10.310 1190 3HG2 THR 59 3HG2 THR 59 10.999 2.908 8.962 1191 H LEU 60 H LEU 60 11.286 -1.701 7.629 1192 HA LEU 60 HA LEU 60 8.459 -2.126 8.538 1193 1HB LEU 60 1HB LEU 60 9.636 -2.172 5.750 1194 2HB LEU 60 2HB LEU 60 7.922 -2.303 6.181 1195 HG LEU 60 HG LEU 60 9.684 0.159 6.626 1196 1HD1 LEU 60 1HD1 LEU 60 8.222 1.182 4.940 1197 2HD1 LEU 60 2HD1 LEU 60 9.132 -0.207 4.308 1198 3HD1 LEU 60 3HD1 LEU 60 7.398 -0.379 4.706 1199 1HD2 LEU 60 1HD2 LEU 60 8.012 0.018 8.421 1200 2HD2 LEU 60 2HD2 LEU 60 7.533 1.262 7.266 1201 3HD2 LEU 60 3HD2 LEU 60 6.731 -0.324 7.236 1202 H ASP 61 H ASP 61 11.256 -3.765 8.706 1203 HA ASP 61 HA ASP 61 10.543 -6.161 7.235 1204 1HB ASP 61 1HB ASP 61 12.862 -5.501 7.495 1205 2HB ASP 61 2HB ASP 61 12.735 -5.651 9.261 1206 H SER 62 H SER 62 8.363 -6.223 8.318 1207 HA SER 62 HA SER 62 7.827 -7.125 10.900 1208 1HB SER 62 1HB SER 62 5.823 -8.166 9.934 1209 2HB SER 62 2HB SER 62 6.123 -6.587 9.171 1210 HG SER 62 HG SER 62 5.701 -8.111 7.574 1211 H ASP 63 H ASP 63 9.073 -8.949 8.146 1212 HA ASP 63 HA ASP 63 8.811 -11.558 9.256 1213 1HB ASP 63 1HB ASP 63 10.846 -10.592 7.193 1214 2HB ASP 63 2HB ASP 63 10.288 -12.247 7.448 1215 H GLY 64 H GLY 64 11.059 -9.023 10.055 1216 1HA GLY 64 1HA GLY 64 13.086 -8.948 11.089 1217 2HA GLY 64 2HA GLY 64 12.531 -10.370 11.987 1218 H ASP 65 H ASP 65 13.150 -10.152 8.462 1219 HA ASP 65 HA ASP 65 15.137 -12.381 8.730 1220 1HB ASP 65 1HB ASP 65 12.851 -12.978 7.857 1221 2HB ASP 65 2HB ASP 65 13.108 -11.841 6.520 1222 H GLY 66 H GLY 66 15.129 -9.182 8.316 1223 1HA GLY 66 1HA GLY 66 16.538 -7.721 7.298 1224 2HA GLY 66 2HA GLY 66 17.391 -9.039 6.475 1225 H GLU 67 H GLU 67 15.917 -10.226 4.876 1226 HA GLU 67 HA GLU 67 15.119 -8.349 2.859 1227 1HB GLU 67 1HB GLU 67 14.391 -10.345 1.554 1228 2HB GLU 67 2HB GLU 67 16.070 -10.350 2.096 1229 1HG GLU 67 1HG GLU 67 15.484 -11.929 3.931 1230 2HG GLU 67 2HG GLU 67 13.818 -11.949 3.350 1231 H CYS 68 H CYS 68 13.146 -7.650 2.209 1232 HA CYS 68 HA CYS 68 11.044 -7.837 4.328 1233 1HB CYS 68 1HB CYS 68 11.768 -5.719 2.270 1234 2HB CYS 68 2HB CYS 68 10.178 -5.756 3.074 1235 HG CYS 68 HG CYS 68 11.473 -4.047 4.397 1236 H ASP 69 H ASP 69 8.951 -8.468 3.890 1237 HA ASP 69 HA ASP 69 8.644 -10.138 1.541 1238 1HB ASP 69 1HB ASP 69 7.902 -10.869 3.755 1239 2HB ASP 69 2HB ASP 69 6.760 -9.507 3.852 1240 H PHE 70 H PHE 70 6.857 -10.023 0.071 1241 HA PHE 70 HA PHE 70 6.330 -7.659 -1.200 1242 1HB PHE 70 1HB PHE 70 5.690 -9.888 -2.037 1243 2HB PHE 70 2HB PHE 70 4.380 -9.962 -0.862 1244 HD1 PHE 70 HD1 PHE 70 5.735 -8.037 -3.714 1245 HD2 PHE 70 HD2 PHE 70 2.287 -8.737 -1.285 1246 HE1 PHE 70 HE1 PHE 70 4.401 -6.616 -5.250 1247 HE2 PHE 70 HE2 PHE 70 0.924 -7.369 -2.818 1248 HZ PHE 70 HZ PHE 70 1.998 -6.223 -4.772 1249 H GLN 71 H GLN 71 4.488 -8.971 1.590 1250 HA GLN 71 HA GLN 71 2.474 -7.025 1.672 1251 1HB GLN 71 1HB GLN 71 2.485 -9.116 2.980 1252 2HB GLN 71 2HB GLN 71 3.842 -8.527 3.948 1253 1HG GLN 71 1HG GLN 71 1.722 -8.342 5.148 1254 2HG GLN 71 2HG GLN 71 2.457 -6.760 4.915 1255 1HE2 GLN 71 1HE2 GLN 71 1.523 -5.329 3.212 1256 2HE2 GLN 71 2HE2 GLN 71 -0.177 -5.566 2.780 1257 H GLU 72 H GLU 72 5.841 -6.865 2.852 1258 HA GLU 72 HA GLU 72 5.361 -4.357 4.328 1259 1HB GLU 72 1HB GLU 72 7.971 -5.811 3.742 1260 2HB GLU 72 2HB GLU 72 7.699 -4.509 4.914 1261 1HG GLU 72 1HG GLU 72 6.634 -7.367 5.024 1262 2HG GLU 72 2HG GLU 72 7.724 -6.579 6.146 1263 H PHE 73 H PHE 73 6.805 -5.464 1.289 1264 HA PHE 73 HA PHE 73 7.643 -2.912 0.302 1265 1HB PHE 73 1HB PHE 73 8.322 -4.726 -0.928 1266 2HB PHE 73 2HB PHE 73 6.758 -5.505 -0.910 1267 HD1 PHE 73 HD1 PHE 73 8.849 -2.956 -2.596 1268 HD2 PHE 73 HD2 PHE 73 5.042 -4.984 -2.582 1269 HE1 PHE 73 HE1 PHE 73 8.469 -2.304 -4.959 1270 HE2 PHE 73 HE2 PHE 73 4.606 -4.168 -4.884 1271 HZ PHE 73 HZ PHE 73 6.375 -2.871 -6.106 1272 H MET 74 H MET 74 4.432 -4.547 0.130 1273 HA MET 74 HA MET 74 3.014 -2.403 -1.030 1274 1HB MET 74 1HB MET 74 2.153 -4.629 0.839 1275 2HB MET 74 2HB MET 74 1.008 -3.465 0.183 1276 1HG MET 74 1HG MET 74 2.811 -4.697 -1.846 1277 2HG MET 74 2HG MET 74 1.757 -5.814 -0.990 1278 1HE MET 74 1HE MET 74 0.580 -2.077 -1.694 1279 2HE MET 74 2HE MET 74 1.626 -2.378 -3.112 1280 3HE MET 74 3HE MET 74 -0.145 -2.277 -3.299 1281 H ALA 75 H ALA 75 3.590 -3.097 2.423 1282 HA ALA 75 HA ALA 75 2.206 -0.848 3.443 1283 1HB ALA 75 1HB ALA 75 3.524 -1.077 5.455 1284 2HB ALA 75 2HB ALA 75 3.109 -2.691 4.843 1285 3HB ALA 75 3HB ALA 75 4.749 -2.039 4.617 1286 H PHE 76 H PHE 76 5.546 -1.062 2.182 1287 HA PHE 76 HA PHE 76 6.310 1.626 2.890 1288 1HB PHE 76 1HB PHE 76 7.982 -0.048 2.408 1289 2HB PHE 76 2HB PHE 76 7.339 -0.286 0.803 1290 HD1 PHE 76 HD1 PHE 76 8.851 2.492 2.950 1291 HD2 PHE 76 HD2 PHE 76 8.370 0.698 -0.974 1292 HE1 PHE 76 HE1 PHE 76 10.080 4.371 1.900 1293 HE2 PHE 76 HE2 PHE 76 9.767 2.458 -1.944 1294 HZ PHE 76 HZ PHE 76 10.391 4.437 -0.604 1295 H VAL 77 H VAL 77 5.209 0.122 -0.189 1296 HA VAL 77 HA VAL 77 4.970 2.480 -1.715 1297 HB VAL 77 HB VAL 77 3.500 -0.166 -1.792 1298 1HG1 VAL 77 1HG1 VAL 77 2.899 0.426 -4.153 1299 2HG1 VAL 77 2HG1 VAL 77 2.127 1.530 -3.011 1300 3HG1 VAL 77 3HG1 VAL 77 3.561 2.056 -3.906 1301 1HG2 VAL 77 1HG2 VAL 77 5.990 -0.207 -2.237 1302 2HG2 VAL 77 2HG2 VAL 77 5.031 -0.665 -3.649 1303 3HG2 VAL 77 3HG2 VAL 77 5.742 0.958 -3.541 1304 H ALA 78 H ALA 78 2.689 1.028 0.632 1305 HA ALA 78 HA ALA 78 0.496 2.722 0.126 1306 1HB ALA 78 1HB ALA 78 0.428 0.640 1.531 1307 2HB ALA 78 2HB ALA 78 1.269 1.532 2.824 1308 3HB ALA 78 3HB ALA 78 -0.333 2.049 2.284 1309 H MET 79 H MET 79 3.097 3.086 2.643 1310 HA MET 79 HA MET 79 2.123 5.620 3.526 1311 1HB MET 79 1HB MET 79 4.391 6.086 4.375 1312 2HB MET 79 2HB MET 79 3.705 4.551 4.942 1313 1HG MET 79 1HG MET 79 5.144 3.318 3.517 1314 2HG MET 79 2HG MET 79 5.668 4.779 2.637 1315 1HE MET 79 1HE MET 79 5.510 4.443 6.547 1316 2HE MET 79 2HE MET 79 5.958 2.822 5.944 1317 3HE MET 79 3HE MET 79 7.162 3.828 6.822 1318 H ILE 80 H ILE 80 4.422 4.778 0.916 1319 HA ILE 80 HA ILE 80 5.145 7.464 0.308 1320 HB ILE 80 HB ILE 80 5.066 4.967 -1.431 1321 1HG1 ILE 80 1HG1 ILE 80 6.573 4.852 0.587 1322 2HG1 ILE 80 2HG1 ILE 80 7.391 4.715 -0.968 1323 1HG2 ILE 80 1HG2 ILE 80 6.792 6.236 -2.801 1324 2HG2 ILE 80 2HG2 ILE 80 5.118 6.782 -2.968 1325 3HG2 ILE 80 3HG2 ILE 80 6.254 7.704 -1.958 1326 1HD1 ILE 80 1HD1 ILE 80 8.655 6.058 0.575 1327 2HD1 ILE 80 2HD1 ILE 80 8.062 7.116 -0.724 1328 3HD1 ILE 80 3HD1 ILE 80 7.288 7.135 0.883 1329 H THR 81 H THR 81 2.598 5.390 -1.144 1330 HA THR 81 HA THR 81 1.736 7.379 -2.997 1331 HB THR 81 HB THR 81 0.044 5.135 -1.786 1332 HG1 THR 81 HG1 THR 81 1.973 4.308 -2.619 1333 1HG2 THR 81 1HG2 THR 81 -0.049 6.543 -4.501 1334 2HG2 THR 81 2HG2 THR 81 -1.066 5.194 -3.999 1335 3HG2 THR 81 3HG2 THR 81 -1.204 6.782 -3.194 1336 H THR 82 H THR 82 0.560 6.496 0.310 1337 HA THR 82 HA THR 82 -1.570 8.365 0.415 1338 HB THR 82 HB THR 82 0.175 7.358 2.710 1339 HG1 THR 82 HG1 THR 82 -0.630 5.611 1.701 1340 1HG2 THR 82 1HG2 THR 82 -1.318 9.231 3.373 1341 2HG2 THR 82 2HG2 THR 82 -2.706 8.375 2.664 1342 3HG2 THR 82 3HG2 THR 82 -1.852 7.692 4.064 1343 H ALA 83 H ALA 83 1.859 8.685 1.465 1344 HA ALA 83 HA ALA 83 1.719 11.345 2.384 1345 1HB ALA 83 1HB ALA 83 4.171 11.312 2.049 1346 2HB ALA 83 2HB ALA 83 3.598 9.823 2.809 1347 3HB ALA 83 3HB ALA 83 4.030 9.836 1.084 1348 H CYS 84 H CYS 84 2.525 10.095 -0.935 1349 HA CYS 84 HA CYS 84 2.884 12.698 -2.039 1350 1HB CYS 84 1HB CYS 84 3.728 10.837 -3.225 1351 2HB CYS 84 2HB CYS 84 2.110 10.091 -3.385 1352 HG CYS 84 HG CYS 84 3.165 11.308 -5.624 1353 H HIS 85 H HIS 85 -0.083 10.646 -1.922 1354 HA HIS 85 HA HIS 85 -1.841 12.402 -3.274 1355 1HB HIS 85 1HB HIS 85 -2.581 10.197 -2.706 1356 2HB HIS 85 2HB HIS 85 -2.256 10.438 -0.998 1357 HD1 HIS 85 HD1 HIS 85 -4.780 11.854 -3.632 1358 HD2 HIS 85 HD2 HIS 85 -4.166 11.298 0.498 1359 HE1 HIS 85 HE1 HIS 85 -6.968 12.425 -2.493 1360 H GLU 86 H GLU 86 -1.037 12.258 0.240 1361 HA GLU 86 HA GLU 86 -2.601 14.498 0.985 1362 1HB GLU 86 1HB GLU 86 -0.023 13.360 2.139 1363 2HB GLU 86 2HB GLU 86 -0.925 14.674 2.892 1364 1HG GLU 86 1HG GLU 86 -2.913 13.300 3.139 1365 2HG GLU 86 2HG GLU 86 -2.159 11.950 2.281 1366 H PHE 87 H PHE 87 0.878 14.365 -0.096 1367 HA PHE 87 HA PHE 87 1.025 17.268 0.239 1368 1HB PHE 87 1HB PHE 87 3.099 15.682 -1.259 1369 2HB PHE 87 2HB PHE 87 3.232 17.183 -0.373 1370 HD1 PHE 87 HD1 PHE 87 4.894 14.515 -0.136 1371 HD2 PHE 87 HD2 PHE 87 1.673 16.211 2.190 1372 HE1 PHE 87 HE1 PHE 87 5.619 13.230 1.839 1373 HE2 PHE 87 HE2 PHE 87 2.319 14.807 4.104 1374 HZ PHE 87 HZ PHE 87 4.341 13.364 3.968 1375 H PHE 88 H PHE 88 -0.247 15.332 -2.226 1376 HA PHE 88 HA PHE 88 0.144 17.341 -4.343 1377 1HB PHE 88 1HB PHE 88 0.201 14.900 -4.831 1378 2HB PHE 88 2HB PHE 88 -1.447 14.752 -4.204 1379 HD1 PHE 88 HD1 PHE 88 0.259 17.133 -6.602 1380 HD2 PHE 88 HD2 PHE 88 -2.785 14.127 -6.037 1381 HE1 PHE 88 HE1 PHE 88 -0.551 17.508 -8.912 1382 HE2 PHE 88 HE2 PHE 88 -3.606 14.526 -8.335 1383 HZ PHE 88 HZ PHE 88 -2.494 16.217 -9.780 1384 H GLU 89 H GLU 89 -2.381 16.173 -2.106 1385 HA GLU 89 HA GLU 89 -4.257 18.301 -3.100 1386 1HB GLU 89 1HB GLU 89 -4.846 15.463 -2.171 1387 2HB GLU 89 2HB GLU 89 -6.020 16.671 -2.717 1388 1HG GLU 89 1HG GLU 89 -4.989 16.646 -4.976 1389 2HG GLU 89 2HG GLU 89 -3.795 15.466 -4.405 1390 H HIS 90 H HIS 90 -3.367 16.289 -0.260 1391 HA HIS 90 HA HIS 90 -5.044 18.052 1.491 1392 1HB HIS 90 1HB HIS 90 -4.852 15.022 1.663 1393 2HB HIS 90 2HB HIS 90 -5.855 16.097 2.644 1394 HD1 HIS 90 HD1 HIS 90 -6.226 13.851 -0.206 1395 HD2 HIS 90 HD2 HIS 90 -7.515 17.758 0.734 1396 HE1 HIS 90 HE1 HIS 90 -8.113 14.419 -1.818 1397 H GLU 91 H GLU 91 -2.851 18.981 1.547 1398 HA GLU 91 HA GLU 91 -0.501 18.464 2.209 1399 1HB GLU 91 1HB GLU 91 -2.133 20.280 4.032 1400 2HB GLU 91 2HB GLU 91 -0.369 20.208 4.003 1401 1HG GLU 91 1HG GLU 91 -0.958 22.066 2.695 1402 2HG GLU 91 2HG GLU 91 -0.415 20.831 1.553 1403 1H LYS 62 H1 LYS 62 -37.477 -20.369 17.993 1404 2H LYS 62 H2 LYS 62 -38.866 -19.538 18.311 1405 3H LYS 62 H3 LYS 62 -37.513 -18.729 17.852 1406 HA LYS 62 HA LYS 62 -37.523 -19.760 15.717 1407 1HB LYS 62 1HB LYS 62 -40.215 -20.891 16.589 1408 2HB LYS 62 2HB LYS 62 -39.484 -21.040 14.989 1409 1HG LYS 62 1HG LYS 62 -38.412 -22.247 17.586 1410 2HG LYS 62 2HG LYS 62 -39.282 -23.090 16.306 1411 1HD LYS 62 1HD LYS 62 -37.449 -22.516 14.693 1412 2HD LYS 62 2HD LYS 62 -36.530 -21.792 16.032 1413 1HE LYS 62 1HE LYS 62 -36.555 -23.969 17.230 1414 2HE LYS 62 2HE LYS 62 -37.454 -24.698 15.885 1415 1HZ LYS 62 1HZ LYS 62 -35.606 -24.200 14.460 1416 2HZ LYS 62 2HZ LYS 62 -34.770 -23.525 15.710 1417 3HZ LYS 62 3HZ LYS 62 -35.128 -25.133 15.730 1418 H ARG 63 H ARG 63 -40.688 -18.791 17.152 1419 HA ARG 63 HA ARG 63 -41.325 -16.961 15.037 1420 1HB ARG 63 1HB ARG 63 -42.268 -17.047 17.939 1421 2HB ARG 63 2HB ARG 63 -42.980 -16.053 16.658 1422 1HG ARG 63 1HG ARG 63 -43.535 -18.101 15.361 1423 2HG ARG 63 2HG ARG 63 -42.870 -19.106 16.665 1424 1HD ARG 63 1HD ARG 63 -44.513 -18.144 18.251 1425 2HD ARG 63 2HD ARG 63 -45.191 -17.149 16.937 1426 HE ARG 63 HE ARG 63 -45.210 -19.843 16.086 1427 1HH1 ARG 63 2HH2 ARG 63 -46.761 -17.801 18.510 1428 2HH1 ARG 63 1HH2 ARG 63 -48.229 -18.736 18.577 1429 1HH2 ARG 63 2HH1 ARG 63 -47.122 -21.086 16.157 1430 2HH2 ARG 63 1HH1 ARG 63 -48.437 -20.642 17.209 1431 H LEU 64 H LEU 64 -40.923 -14.749 14.857 1432 HA LEU 64 HA LEU 64 -40.063 -12.746 15.133 1433 1HB LEU 64 1HB LEU 64 -41.003 -12.767 17.423 1434 2HB LEU 64 2HB LEU 64 -39.482 -13.424 18.042 1435 HG LEU 64 HG LEU 64 -38.270 -11.402 17.308 1436 1HD1 LEU 64 1HD1 LEU 64 -39.621 -9.366 16.719 1437 2HD1 LEU 64 2HD1 LEU 64 -39.635 -10.586 15.446 1438 3HD1 LEU 64 3HD1 LEU 64 -41.046 -10.404 16.515 1439 1HD2 LEU 64 1HD2 LEU 64 -39.178 -11.604 19.591 1440 2HD2 LEU 64 2HD2 LEU 64 -39.203 -9.922 19.035 1441 3HD2 LEU 64 3HD2 LEU 64 -40.706 -10.870 19.058 1442 H ARG 65 H ARG 65 -38.003 -15.203 16.701 1443 HA ARG 65 HA ARG 65 -35.484 -13.946 16.041 1444 1HB ARG 65 1HB ARG 65 -36.269 -16.760 16.869 1445 2HB ARG 65 2HB ARG 65 -34.594 -16.221 16.706 1446 1HG ARG 65 1HG ARG 65 -34.600 -14.984 18.604 1447 2HG ARG 65 2HG ARG 65 -36.268 -14.436 18.420 1448 1HD ARG 65 1HD ARG 65 -35.515 -17.263 19.264 1449 2HD ARG 65 2HD ARG 65 -35.915 -15.937 20.381 1450 HE ARG 65 HE ARG 65 -37.998 -16.112 18.463 1451 1HH1 ARG 65 2HH1 ARG 65 -36.758 -17.974 21.200 1452 2HH1 ARG 65 1HH1 ARG 65 -38.328 -18.590 21.645 1453 1HH2 ARG 65 2HH2 ARG 65 -39.932 -16.829 18.986 1454 2HH2 ARG 65 1HH2 ARG 65 -40.240 -17.899 20.355 1455 H ARG 66 H ARG 66 -36.477 -13.599 13.727 1456 HA ARG 66 HA ARG 66 -36.167 -15.865 11.899 1457 1HB ARG 66 1HB ARG 66 -37.877 -13.838 11.829 1458 2HB ARG 66 2HB ARG 66 -36.535 -12.953 11.147 1459 1HG ARG 66 1HG ARG 66 -37.578 -13.684 9.243 1460 2HG ARG 66 2HG ARG 66 -36.429 -15.007 9.441 1461 1HD ARG 66 1HD ARG 66 -39.374 -15.008 10.338 1462 2HD ARG 66 2HD ARG 66 -38.750 -15.724 8.865 1463 HE ARG 66 HE ARG 66 -37.765 -17.472 9.986 1464 1HH1 ARG 66 1HH2 ARG 66 -39.272 -15.292 12.396 1465 2HH1 ARG 66 2HH2 ARG 66 -39.051 -16.481 13.680 1466 1HH2 ARG 66 2HH1 ARG 66 -37.570 -18.933 11.753 1467 2HH2 ARG 66 1HH1 ARG 66 -38.134 -18.411 13.337 1468 H SER 67 H SER 67 -33.911 -15.862 13.116 1469 HA SER 67 HA SER 67 -31.948 -13.985 12.191 1470 1HB SER 67 1HB SER 67 -31.562 -16.654 13.605 1471 2HB SER 67 2HB SER 67 -30.458 -15.267 13.606 1472 HG SER 67 HG SER 67 -32.201 -14.073 14.623 1473 H ALA 68 H ALA 68 -32.822 -14.736 9.834 1474 HA ALA 68 HA ALA 68 -31.445 -17.048 8.698 1475 1HB ALA 68 1HB ALA 68 -32.922 -14.726 7.387 1476 2HB ALA 68 2HB ALA 68 -32.385 -16.217 6.580 1477 3HB ALA 68 3HB ALA 68 -33.623 -16.292 7.849 1478 H HIS 69 H HIS 69 -29.397 -16.079 9.806 1479 HA HIS 69 HA HIS 69 -28.079 -13.867 8.466 1480 1HB HIS 69 1HB HIS 69 -26.187 -14.441 9.936 1481 2HB HIS 69 2HB HIS 69 -27.710 -14.201 10.789 1482 HD1 HIS 69 HD1 HIS 69 -25.833 -17.281 9.389 1483 HD2 HIS 69 HD2 HIS 69 -28.116 -15.968 12.661 1484 HE1 HIS 69 HE1 HIS 69 -25.919 -19.241 11.068 1485 H ALA 70 H ALA 70 -28.621 -15.089 6.322 1486 HA ALA 70 HA ALA 70 -26.829 -17.127 5.385 1487 1HB ALA 70 1HB ALA 70 -27.437 -16.282 3.137 1488 2HB ALA 70 2HB ALA 70 -28.870 -16.491 4.165 1489 3HB ALA 70 3HB ALA 70 -28.213 -14.865 3.874 1490 H ARG 71 H ARG 71 -24.619 -16.947 5.233 1491 HA ARG 71 HA ARG 71 -23.324 -14.319 5.472 1492 1HB ARG 71 1HB ARG 71 -22.122 -17.089 5.143 1493 2HB ARG 71 2HB ARG 71 -21.268 -15.627 5.633 1494 1HG ARG 71 1HG ARG 71 -23.431 -17.067 7.247 1495 2HG ARG 71 2HG ARG 71 -21.692 -17.103 7.525 1496 1HD ARG 71 1HD ARG 71 -22.600 -15.588 9.123 1497 2HD ARG 71 2HD ARG 71 -21.739 -14.620 7.909 1498 HE ARG 71 HE ARG 71 -24.646 -15.083 7.550 1499 1HH1 ARG 71 2HH2 ARG 71 -22.360 -12.874 9.035 1500 2HH1 ARG 71 1HH2 ARG 71 -23.196 -11.423 8.550 1501 1HH2 ARG 71 2HH1 ARG 71 -25.517 -13.169 6.521 1502 2HH2 ARG 71 1HH1 ARG 71 -25.156 -11.623 7.251 1503 H LYS 72 H LYS 72 -24.706 -13.972 3.372 1504 HA LYS 72 HA LYS 72 -23.940 -15.034 0.948 1505 1HB LYS 72 1HB LYS 72 -25.040 -13.228 -0.144 1506 2HB LYS 72 2HB LYS 72 -25.987 -13.775 1.234 1507 1HG LYS 72 1HG LYS 72 -24.248 -11.252 1.226 1508 2HG LYS 72 2HG LYS 72 -25.959 -11.320 0.809 1509 1HD LYS 72 1HD LYS 72 -26.432 -12.289 3.105 1510 2HD LYS 72 2HD LYS 72 -24.750 -11.895 3.539 1511 1HE LYS 72 1HE LYS 72 -25.172 -9.519 2.952 1512 2HE LYS 72 2HE LYS 72 -26.856 -9.918 2.559 1513 1HZ LYS 72 1HZ LYS 72 -25.583 -10.241 5.184 1514 2HZ LYS 72 2HZ LYS 72 -26.657 -9.063 4.761 1515 3HZ LYS 72 3HZ LYS 72 -27.142 -10.637 4.819 1516 H GLU 73 H GLU 73 -22.323 -12.424 2.667 1517 HA GLU 73 HA GLU 73 -20.664 -11.365 0.720 1518 1HB GLU 73 1HB GLU 73 -19.104 -10.863 2.505 1519 2HB GLU 73 2HB GLU 73 -20.758 -10.478 2.973 1520 1HG GLU 73 1HG GLU 73 -19.375 -13.053 3.860 1521 2HG GLU 73 2HG GLU 73 -19.231 -11.526 4.723 1522 H THR 74 H THR 74 -20.490 -14.577 2.121 1523 HA THR 74 HA THR 74 -17.969 -15.522 1.451 1524 HB THR 74 HB THR 74 -20.716 -16.804 1.134 1525 HG1 THR 74 HG1 THR 74 -20.402 -16.388 3.204 1526 1HG2 THR 74 1HG2 THR 74 -19.214 -18.172 -0.170 1527 2HG2 THR 74 2HG2 THR 74 -17.966 -18.101 1.086 1528 3HG2 THR 74 3HG2 THR 74 -19.484 -18.970 1.385 1529 H GLU 75 H GLU 75 -20.640 -14.686 -0.787 1530 HA GLU 75 HA GLU 75 -19.871 -16.039 -3.048 1531 1HB GLU 75 1HB GLU 75 -21.118 -14.399 -4.298 1532 2HB GLU 75 2HB GLU 75 -21.924 -14.729 -2.759 1533 1HG GLU 75 1HG GLU 75 -20.622 -12.580 -1.910 1534 2HG GLU 75 2HG GLU 75 -20.420 -12.275 -3.645 1535 H PHE 76 H PHE 76 -18.424 -13.008 -1.801 1536 HA PHE 76 HA PHE 76 -16.222 -13.318 -3.814 1537 1HB PHE 76 1HB PHE 76 -15.648 -10.942 -2.969 1538 2HB PHE 76 2HB PHE 76 -16.835 -11.206 -4.232 1539 HD1 PHE 76 HD1 PHE 76 -19.061 -10.446 -4.045 1540 HD2 PHE 76 HD2 PHE 76 -16.400 -10.244 -0.675 1541 HE1 PHE 76 HE1 PHE 76 -20.853 -9.390 -2.705 1542 HE2 PHE 76 HE2 PHE 76 -18.161 -9.107 0.648 1543 HZ PHE 76 HZ PHE 76 -20.422 -8.727 -0.359 1544 H LEU 77 H LEU 77 -16.865 -12.764 -0.282 1545 HA LEU 77 HA LEU 77 -14.081 -12.709 0.333 1546 1HB LEU 77 1HB LEU 77 -16.459 -13.347 2.103 1547 2HB LEU 77 2HB LEU 77 -14.800 -13.237 2.692 1548 HG LEU 77 HG LEU 77 -16.404 -10.974 1.468 1549 1HD1 LEU 77 1HD1 LEU 77 -16.969 -11.641 3.795 1550 2HD1 LEU 77 2HD1 LEU 77 -15.276 -11.385 4.264 1551 3HD1 LEU 77 3HD1 LEU 77 -16.260 -10.017 3.707 1552 1HD2 LEU 77 1HD2 LEU 77 -13.494 -11.025 2.434 1553 2HD2 LEU 77 2HD2 LEU 77 -14.065 -10.569 0.814 1554 3HD2 LEU 77 3HD2 LEU 77 -14.425 -9.541 2.195 1555 H ARG 78 H ARG 78 -16.035 -15.506 -0.397 1556 HA ARG 78 HA ARG 78 -14.607 -17.584 0.813 1557 1HB ARG 78 1HB ARG 78 -16.538 -17.873 -0.672 1558 2HB ARG 78 2HB ARG 78 -15.561 -17.285 -2.044 1559 1HG ARG 78 1HG ARG 78 -14.159 -19.354 -1.833 1560 2HG ARG 78 2HG ARG 78 -15.134 -19.833 -0.431 1561 1HD ARG 78 1HD ARG 78 -16.002 -21.028 -2.293 1562 2HD ARG 78 2HD ARG 78 -17.196 -19.781 -1.960 1563 HE ARG 78 HE ARG 78 -15.397 -20.081 -4.267 1564 1HH1 ARG 78 1HH1 ARG 78 -17.604 -17.782 -2.667 1565 2HH1 ARG 78 2HH1 ARG 78 -17.760 -16.790 -4.091 1566 1HH2 ARG 78 1HH2 ARG 78 -15.772 -18.877 -6.125 1567 2HH2 ARG 78 2HH2 ARG 78 -16.853 -17.507 -6.099 1568 H LEU 79 H LEU 79 -13.676 -15.488 -1.972 1569 HA LEU 79 HA LEU 79 -11.355 -17.023 -2.707 1570 1HB LEU 79 1HB LEU 79 -12.217 -14.154 -3.219 1571 2HB LEU 79 2HB LEU 79 -10.659 -14.788 -3.740 1572 HG LEU 79 HG LEU 79 -11.699 -16.517 -5.096 1573 1HD1 LEU 79 1HD1 LEU 79 -13.814 -16.989 -3.981 1574 2HD1 LEU 79 2HD1 LEU 79 -14.370 -15.315 -4.233 1575 3HD1 LEU 79 3HD1 LEU 79 -14.149 -16.407 -5.609 1576 1HD2 LEU 79 1HD2 LEU 79 -11.200 -14.281 -6.038 1577 2HD2 LEU 79 2HD2 LEU 79 -12.594 -15.029 -6.836 1578 3HD2 LEU 79 3HD2 LEU 79 -12.847 -13.750 -5.630 1579 H LYS 80 H LYS 80 -11.860 -14.212 -0.538 1580 HA LYS 80 HA LYS 80 -9.109 -13.844 0.143 1581 1HB LYS 80 1HB LYS 80 -10.858 -12.152 0.547 1582 2HB LYS 80 2HB LYS 80 -11.566 -13.179 1.810 1583 1HG LYS 80 1HG LYS 80 -9.464 -13.082 3.101 1584 2HG LYS 80 2HG LYS 80 -8.690 -12.155 1.800 1585 1HD LYS 80 1HD LYS 80 -10.207 -10.275 2.170 1586 2HD LYS 80 2HD LYS 80 -11.169 -11.228 3.316 1587 1HE LYS 80 1HE LYS 80 -9.698 -9.686 4.531 1588 2HE LYS 80 2HE LYS 80 -9.261 -11.367 4.873 1589 1HZ LYS 80 1HZ LYS 80 -7.346 -10.034 4.475 1590 2HZ LYS 80 2HZ LYS 80 -7.485 -11.144 3.267 1591 3HZ LYS 80 3HZ LYS 80 -7.893 -9.566 2.998 1592 H ARG 81 H ARG 81 -11.758 -15.731 1.720 1593 HA ARG 81 HA ARG 81 -10.109 -16.772 3.810 1594 1HB ARG 81 1HB ARG 81 -12.597 -17.995 2.533 1595 2HB ARG 81 2HB ARG 81 -11.811 -18.539 4.027 1596 1HG ARG 81 1HG ARG 81 -12.069 -16.120 4.878 1597 2HG ARG 81 2HG ARG 81 -13.179 -15.858 3.528 1598 1HD ARG 81 1HD ARG 81 -13.461 -17.991 5.692 1599 2HD ARG 81 2HD ARG 81 -14.295 -16.450 5.707 1600 HE ARG 81 HE ARG 81 -14.882 -18.820 4.091 1601 1HH1 ARG 81 1HH2 ARG 81 -15.419 -15.330 4.250 1602 2HH1 ARG 81 2HH2 ARG 81 -17.097 -15.433 3.765 1603 1HH2 ARG 81 1HH1 ARG 81 -17.071 -18.953 3.483 1604 2HH2 ARG 81 2HH1 ARG 81 -18.049 -17.517 3.304 1605 H THR 82 H THR 82 -10.774 -18.036 0.529 1606 HA THR 82 HA THR 82 -9.297 -20.444 0.772 1607 HB THR 82 HB THR 82 -9.806 -18.711 -1.687 1608 HG1 THR 82 HG1 THR 82 -11.676 -19.440 -0.670 1609 1HG2 THR 82 1HG2 THR 82 -8.003 -20.291 -2.198 1610 2HG2 THR 82 2HG2 THR 82 -8.935 -21.622 -1.471 1611 3HG2 THR 82 3HG2 THR 82 -9.511 -20.827 -2.952 1612 H ARG 83 H ARG 83 -8.267 -17.119 -0.089 1613 HA ARG 83 HA ARG 83 -5.698 -17.620 -0.933 1614 1HB ARG 83 1HB ARG 83 -5.460 -15.450 -0.971 1615 2HB ARG 83 2HB ARG 83 -7.122 -15.366 -0.436 1616 1HG ARG 83 1HG ARG 83 -6.024 -13.860 0.909 1617 2HG ARG 83 2HG ARG 83 -6.182 -15.231 1.992 1618 1HD ARG 83 1HD ARG 83 -3.872 -15.675 1.959 1619 2HD ARG 83 2HD ARG 83 -3.652 -14.977 0.350 1620 HE ARG 83 HE ARG 83 -4.468 -13.055 2.377 1621 1HH1 ARG 83 1HH1 ARG 83 -1.628 -14.827 1.223 1622 2HH1 ARG 83 2HH1 ARG 83 -0.532 -13.478 1.388 1623 1HH2 ARG 83 1HH2 ARG 83 -3.021 -11.384 2.864 1624 2HH2 ARG 83 2HH2 ARG 83 -1.312 -11.578 2.597 1625 H LEU 84 H LEU 84 -6.890 -17.856 2.409 1626 HA LEU 84 HA LEU 84 -4.352 -17.687 3.695 1627 1HB LEU 84 1HB LEU 84 -6.796 -19.293 4.514 1628 2HB LEU 84 2HB LEU 84 -5.452 -18.838 5.566 1629 HG LEU 84 HG LEU 84 -7.360 -16.863 4.210 1630 1HD1 LEU 84 1HD1 LEU 84 -8.457 -18.227 5.940 1631 2HD1 LEU 84 2HD1 LEU 84 -7.183 -17.792 7.103 1632 3HD1 LEU 84 3HD1 LEU 84 -8.274 -16.544 6.461 1633 1HD2 LEU 84 1HD2 LEU 84 -5.185 -15.801 4.586 1634 2HD2 LEU 84 2HD2 LEU 84 -5.130 -16.433 6.246 1635 3HD2 LEU 84 3HD2 LEU 84 -6.340 -15.219 5.785 1636 H GLY 85 H GLY 85 -5.987 -20.352 2.010 1637 1HA GLY 85 1HA GLY 85 -4.325 -22.506 2.920 1638 2HA GLY 85 2HA GLY 85 -5.303 -22.451 1.445 1639 H LEU 86 H LEU 86 -3.652 -19.829 0.736 1640 HA LEU 86 HA LEU 86 -1.643 -21.295 -0.823 1641 1HB LEU 86 1HB LEU 86 -2.409 -18.363 -0.689 1642 2HB LEU 86 2HB LEU 86 -1.131 -18.993 -1.694 1643 HG LEU 86 HG LEU 86 -3.344 -18.561 -2.805 1644 1HD1 LEU 86 1HD1 LEU 86 -2.261 -21.387 -3.111 1645 2HD1 LEU 86 2HD1 LEU 86 -1.535 -19.931 -3.821 1646 3HD1 LEU 86 3HD1 LEU 86 -3.146 -20.450 -4.328 1647 1HD2 LEU 86 1HD2 LEU 86 -4.235 -21.235 -1.672 1648 2HD2 LEU 86 2HD2 LEU 86 -4.841 -19.660 -1.120 1649 3HD2 LEU 86 3HD2 LEU 86 -5.104 -20.178 -2.790 1650 H GLU 87 H GLU 87 -1.769 -19.747 2.302 1651 HA GLU 87 HA GLU 87 1.194 -19.434 2.378 1652 1HB GLU 87 1HB GLU 87 -0.961 -18.926 4.475 1653 2HB GLU 87 2HB GLU 87 0.783 -18.827 4.740 1654 1HG GLU 87 1HG GLU 87 0.238 -16.612 4.336 1655 2HG GLU 87 2HG GLU 87 0.851 -17.142 2.767 1656 1H LYS 62 H1 LYS 62 34.616 28.872 3.465 1657 2H LYS 62 H2 LYS 62 36.011 29.457 4.101 1658 3H LYS 62 H3 LYS 62 34.777 30.486 3.739 1659 HA LYS 62 HA LYS 62 34.764 28.398 5.794 1660 1HB LYS 62 1HB LYS 62 34.731 31.434 6.024 1661 2HB LYS 62 2HB LYS 62 34.472 30.329 7.377 1662 1HG LYS 62 1HG LYS 62 37.026 30.427 5.701 1663 2HG LYS 62 2HG LYS 62 36.768 31.277 7.225 1664 1HD LYS 62 1HD LYS 62 36.367 29.138 8.404 1665 2HD LYS 62 2HD LYS 62 36.687 28.235 6.917 1666 1HE LYS 62 1HE LYS 62 38.987 29.238 6.831 1667 2HE LYS 62 2HE LYS 62 38.647 30.088 8.349 1668 1HZ LYS 62 1HZ LYS 62 38.669 27.173 7.990 1669 2HZ LYS 62 2HZ LYS 62 39.841 28.075 8.716 1670 3HZ LYS 62 3HZ LYS 62 38.347 27.967 9.399 1671 H ARG 63 H ARG 63 32.872 31.202 4.547 1672 HA ARG 63 HA ARG 63 30.399 30.489 5.712 1673 1HB ARG 63 1HB ARG 63 30.981 31.866 3.053 1674 2HB ARG 63 2HB ARG 63 29.393 31.780 3.831 1675 1HG ARG 63 1HG ARG 63 30.308 32.959 5.831 1676 2HG ARG 63 2HG ARG 63 31.871 33.126 5.006 1677 1HD ARG 63 1HD ARG 63 30.776 34.400 3.185 1678 2HD ARG 63 2HD ARG 63 29.209 34.230 4.015 1679 HE ARG 63 HE ARG 63 31.079 35.369 5.822 1680 1HH1 ARG 63 2HH2 ARG 63 29.337 36.197 2.868 1681 2HH1 ARG 63 1HH2 ARG 63 29.290 37.908 3.195 1682 1HH2 ARG 63 2HH1 ARG 63 31.036 37.607 6.272 1683 2HH2 ARG 63 1HH1 ARG 63 30.278 38.723 5.170 1684 H LEU 64 H LEU 64 28.961 28.913 5.277 1685 HA LEU 64 HA LEU 64 28.031 27.062 4.543 1686 1HB LEU 64 1HB LEU 64 27.657 28.175 2.403 1687 2HB LEU 64 2HB LEU 64 29.237 27.653 1.812 1688 HG LEU 64 HG LEU 64 28.561 25.292 1.942 1689 1HD1 LEU 64 1HD1 LEU 64 26.131 24.750 2.263 1690 2HD1 LEU 64 2HD1 LEU 64 26.907 25.293 3.750 1691 3HD1 LEU 64 3HD1 LEU 64 25.863 26.408 2.838 1692 1HD2 LEU 64 1HD2 LEU 64 26.595 27.052 0.421 1693 2HD2 LEU 64 2HD2 LEU 64 28.222 26.595 -0.126 1694 3HD2 LEU 64 3HD2 LEU 64 26.974 25.353 0.069 1695 H ARG 65 H ARG 65 31.291 27.167 3.068 1696 HA ARG 65 HA ARG 65 32.001 24.544 2.972 1697 1HB ARG 65 1HB ARG 65 33.335 26.533 2.246 1698 2HB ARG 65 2HB ARG 65 33.815 26.796 3.931 1699 1HG ARG 65 1HG ARG 65 34.924 24.561 3.958 1700 2HG ARG 65 2HG ARG 65 34.349 24.267 2.310 1701 1HD ARG 65 1HD ARG 65 36.648 24.945 2.194 1702 2HD ARG 65 2HD ARG 65 35.648 26.250 1.521 1703 HE ARG 65 HE ARG 65 36.107 26.696 4.316 1704 1HH1 ARG 65 2HH2 ARG 65 37.803 26.752 1.223 1705 2HH1 ARG 65 1HH2 ARG 65 39.037 27.867 1.740 1706 1HH2 ARG 65 2HH1 ARG 65 37.743 28.146 5.031 1707 2HH2 ARG 65 1HH1 ARG 65 38.987 28.686 3.936 1708 H ARG 66 H ARG 66 32.188 26.586 5.890 1709 HA ARG 66 HA ARG 66 33.400 24.981 7.744 1710 1HB ARG 66 1HB ARG 66 32.075 26.155 9.429 1711 2HB ARG 66 2HB ARG 66 32.663 27.250 8.177 1712 1HG ARG 66 1HG ARG 66 30.369 27.074 7.058 1713 2HG ARG 66 2HG ARG 66 29.814 26.169 8.474 1714 1HD ARG 66 1HD ARG 66 30.975 28.987 8.498 1715 2HD ARG 66 2HD ARG 66 29.247 28.573 8.577 1716 HE ARG 66 HE ARG 66 30.527 27.167 10.651 1717 1HH1 ARG 66 1HH2 ARG 66 29.827 30.507 9.754 1718 2HH1 ARG 66 2HH2 ARG 66 29.759 31.092 11.394 1719 1HH2 ARG 66 2HH1 ARG 66 30.450 27.908 12.806 1720 2HH2 ARG 66 1HH1 ARG 66 30.128 29.582 13.163 1721 H SER 67 H SER 67 30.158 24.450 6.417 1722 HA SER 67 HA SER 67 29.125 22.708 8.383 1723 1HB SER 67 1HB SER 67 28.658 22.532 5.378 1724 2HB SER 67 2HB SER 67 27.586 21.986 6.680 1725 HG SER 67 HG SER 67 28.259 24.616 5.888 1726 H ALA 68 H ALA 68 31.551 22.158 5.884 1727 HA ALA 68 HA ALA 68 32.933 20.502 5.414 1728 1HB ALA 68 1HB ALA 68 32.050 19.132 7.981 1729 2HB ALA 68 2HB ALA 68 33.544 18.875 7.071 1730 3HB ALA 68 3HB ALA 68 33.257 20.434 7.867 1731 H HIS 69 H HIS 69 29.639 19.394 6.140 1732 HA HIS 69 HA HIS 69 29.779 17.411 3.965 1733 1HB HIS 69 1HB HIS 69 28.971 15.642 5.378 1734 2HB HIS 69 2HB HIS 69 30.422 16.282 6.147 1735 HD1 HIS 69 HD1 HIS 69 29.528 18.475 8.044 1736 HD2 HIS 69 HD2 HIS 69 26.953 15.324 6.945 1737 HE1 HIS 69 HE1 HIS 69 27.673 18.415 9.772 1738 H ALA 70 H ALA 70 27.503 16.463 3.727 1739 HA ALA 70 HA ALA 70 25.322 18.383 4.380 1740 1HB ALA 70 1HB ALA 70 25.735 16.856 1.781 1741 2HB ALA 70 2HB ALA 70 24.304 17.817 2.216 1742 3HB ALA 70 3HB ALA 70 25.876 18.615 1.997 1743 H ARG 71 H ARG 71 23.419 17.284 5.055 1744 HA ARG 71 HA ARG 71 23.653 14.522 5.923 1745 1HB ARG 71 1HB ARG 71 21.438 16.602 5.971 1746 2HB ARG 71 2HB ARG 71 21.159 14.933 6.461 1747 1HG ARG 71 1HG ARG 71 21.570 16.357 8.386 1748 2HG ARG 71 2HG ARG 71 22.694 15.005 8.249 1749 1HD ARG 71 1HD ARG 71 23.809 17.078 8.989 1750 2HD ARG 71 2HD ARG 71 24.455 16.437 7.480 1751 HE ARG 71 HE ARG 71 22.341 18.480 7.208 1752 1HH1 ARG 71 2HH1 ARG 71 25.821 17.990 7.624 1753 2HH1 ARG 71 1HH1 ARG 71 26.281 19.241 6.491 1754 1HH2 ARG 71 2HH2 ARG 71 22.930 20.333 5.980 1755 2HH2 ARG 71 1HH2 ARG 71 24.610 20.737 5.750 1756 H LYS 72 H LYS 72 24.266 14.145 3.452 1757 HA LYS 72 HA LYS 72 22.360 13.956 1.446 1758 1HB LYS 72 1HB LYS 72 23.798 12.252 0.427 1759 2HB LYS 72 2HB LYS 72 24.688 13.664 1.011 1760 1HG LYS 72 1HG LYS 72 25.383 12.362 3.044 1761 2HG LYS 72 2HG LYS 72 24.527 10.946 2.383 1762 1HD LYS 72 1HD LYS 72 25.981 10.956 0.401 1763 2HD LYS 72 2HD LYS 72 26.773 12.438 0.958 1764 1HE LYS 72 1HE LYS 72 28.194 10.525 1.452 1765 2HE LYS 72 2HE LYS 72 27.636 11.261 2.961 1766 1HZ LYS 72 1HZ LYS 72 25.993 9.533 3.119 1767 2HZ LYS 72 2HZ LYS 72 26.495 8.864 1.697 1768 3HZ LYS 72 3HZ LYS 72 27.500 8.881 3.001 1769 H GLU 73 H GLU 73 22.972 11.771 4.121 1770 HA GLU 73 HA GLU 73 21.405 9.573 3.362 1771 1HB GLU 73 1HB GLU 73 22.100 10.618 6.142 1772 2HB GLU 73 2HB GLU 73 21.433 9.022 5.786 1773 1HG GLU 73 1HG GLU 73 23.393 8.579 4.272 1774 2HG GLU 73 2HG GLU 73 24.132 10.088 4.834 1775 H THR 74 H THR 74 20.090 12.711 3.909 1776 HA THR 74 HA THR 74 17.461 11.469 4.557 1777 HB THR 74 HB THR 74 16.904 13.728 5.325 1778 HG1 THR 74 HG1 THR 74 19.678 14.203 5.063 1779 1HG2 THR 74 1HG2 THR 74 17.572 11.948 6.927 1780 2HG2 THR 74 2HG2 THR 74 19.265 12.468 6.794 1781 3HG2 THR 74 3HG2 THR 74 18.053 13.558 7.492 1782 H GLU 75 H GLU 75 19.177 12.537 1.842 1783 HA GLU 75 HA GLU 75 17.674 14.537 0.674 1784 1HB GLU 75 1HB GLU 75 19.023 12.086 -0.522 1785 2HB GLU 75 2HB GLU 75 18.241 13.287 -1.548 1786 1HG GLU 75 1HG GLU 75 20.389 13.996 0.464 1787 2HG GLU 75 2HG GLU 75 20.727 13.589 -1.226 1788 H PHE 76 H PHE 76 16.985 11.075 0.415 1789 HA PHE 76 HA PHE 76 14.706 11.341 -1.273 1790 1HB PHE 76 1HB PHE 76 14.322 8.912 -0.061 1791 2HB PHE 76 2HB PHE 76 15.331 9.184 -1.472 1792 HD1 PHE 76 HD1 PHE 76 17.758 9.088 -1.371 1793 HD2 PHE 76 HD2 PHE 76 15.368 8.785 2.210 1794 HE1 PHE 76 HE1 PHE 76 19.799 8.694 -0.048 1795 HE2 PHE 76 HE2 PHE 76 17.412 8.473 3.542 1796 HZ PHE 76 HZ PHE 76 19.641 8.364 2.412 1797 H LEU 77 H LEU 77 14.993 11.698 2.200 1798 HA LEU 77 HA LEU 77 12.040 11.675 2.539 1799 1HB LEU 77 1HB LEU 77 14.324 12.073 4.475 1800 2HB LEU 77 2HB LEU 77 12.620 12.229 4.916 1801 HG LEU 77 HG LEU 77 13.677 9.687 3.614 1802 1HD1 LEU 77 1HD1 LEU 77 13.598 10.301 6.588 1803 2HD1 LEU 77 2HD1 LEU 77 13.943 8.720 5.853 1804 3HD1 LEU 77 3HD1 LEU 77 15.058 10.070 5.595 1805 1HD2 LEU 77 1HD2 LEU 77 11.203 9.914 3.691 1806 2HD2 LEU 77 2HD2 LEU 77 11.753 8.635 4.775 1807 3HD2 LEU 77 3HD2 LEU 77 11.283 10.205 5.441 1808 H ARG 78 H ARG 78 14.803 13.850 2.205 1809 HA ARG 78 HA ARG 78 13.548 16.298 2.796 1810 1HB ARG 78 1HB ARG 78 16.046 15.629 2.168 1811 2HB ARG 78 2HB ARG 78 15.549 16.186 0.558 1812 1HG ARG 78 1HG ARG 78 14.688 18.307 1.673 1813 2HG ARG 78 2HG ARG 78 15.377 17.724 3.183 1814 1HD ARG 78 1HD ARG 78 16.725 18.742 0.697 1815 2HD ARG 78 2HD ARG 78 17.034 19.167 2.381 1816 HE ARG 78 HE ARG 78 18.452 17.325 0.794 1817 1HH1 ARG 78 2HH1 ARG 78 17.112 17.352 4.084 1818 2HH1 ARG 78 1HH1 ARG 78 18.201 16.082 4.628 1819 1HH2 ARG 78 1HH2 ARG 78 19.990 15.970 1.598 1820 2HH2 ARG 78 2HH2 ARG 78 19.962 15.385 3.252 1821 H LEU 79 H LEU 79 13.503 14.296 -0.177 1822 HA LEU 79 HA LEU 79 11.996 16.108 -1.771 1823 1HB LEU 79 1HB LEU 79 11.783 13.075 -1.744 1824 2HB LEU 79 2HB LEU 79 11.148 14.164 -2.980 1825 HG LEU 79 HG LEU 79 14.056 13.583 -2.343 1826 1HD1 LEU 79 1HD1 LEU 79 12.385 13.378 -4.891 1827 2HD1 LEU 79 2HD1 LEU 79 14.079 12.886 -4.710 1828 3HD1 LEU 79 3HD1 LEU 79 12.804 12.031 -3.820 1829 1HD2 LEU 79 1HD2 LEU 79 14.619 15.192 -4.185 1830 2HD2 LEU 79 2HD2 LEU 79 12.948 15.788 -4.136 1831 3HD2 LEU 79 3HD2 LEU 79 14.025 15.989 -2.730 1832 H LYS 80 H LYS 80 10.844 14.004 0.911 1833 HA LYS 80 HA LYS 80 8.041 14.535 0.256 1834 1HB LYS 80 1HB LYS 80 9.397 13.294 2.683 1835 2HB LYS 80 2HB LYS 80 7.692 13.698 2.623 1836 1HG LYS 80 1HG LYS 80 7.750 11.453 1.997 1837 2HG LYS 80 2HG LYS 80 7.518 12.313 0.472 1838 1HD LYS 80 1HD LYS 80 10.023 12.048 0.034 1839 2HD LYS 80 2HD LYS 80 10.127 11.186 1.575 1840 1HE LYS 80 1HE LYS 80 10.070 9.575 -0.133 1841 2HE LYS 80 2HE LYS 80 8.482 9.502 0.655 1842 1HZ LYS 80 1HZ LYS 80 8.235 9.451 -1.686 1843 2HZ LYS 80 2HZ LYS 80 7.687 10.922 -1.181 1844 3HZ LYS 80 3HZ LYS 80 9.168 10.789 -1.905 1845 H ARG 81 H ARG 81 10.473 15.804 2.546 1846 HA ARG 81 HA ARG 81 8.875 17.822 3.727 1847 1HB ARG 81 1HB ARG 81 11.178 17.164 4.428 1848 2HB ARG 81 2HB ARG 81 11.831 18.039 3.029 1849 1HG ARG 81 1HG ARG 81 10.878 20.150 3.875 1850 2HG ARG 81 2HG ARG 81 10.123 19.285 5.229 1851 1HD ARG 81 1HD ARG 81 12.348 18.614 6.060 1852 2HD ARG 81 2HD ARG 81 13.121 19.460 4.694 1853 HE ARG 81 HE ARG 81 11.448 21.316 5.988 1854 1HH1 ARG 81 2HH1 ARG 81 14.345 19.441 6.731 1855 2HH1 ARG 81 1HH1 ARG 81 14.986 20.602 7.862 1856 1HH2 ARG 81 2HH2 ARG 81 12.263 22.845 7.463 1857 2HH2 ARG 81 1HH2 ARG 81 13.774 22.575 8.287 1858 H THR 82 H THR 82 10.713 17.860 0.671 1859 HA THR 82 HA THR 82 10.116 20.519 -0.134 1860 HB THR 82 HB THR 82 10.625 18.020 -1.814 1861 HG1 THR 82 HG1 THR 82 12.314 18.539 -0.430 1862 1HG2 THR 82 1HG2 THR 82 11.284 19.603 -3.577 1863 2HG2 THR 82 2HG2 THR 82 9.551 19.637 -3.210 1864 3HG2 THR 82 3HG2 THR 82 10.613 20.935 -2.605 1865 H ARG 83 H ARG 83 8.427 17.409 -0.899 1866 HA ARG 83 HA ARG 83 6.393 18.568 -2.483 1867 1HB ARG 83 1HB ARG 83 6.607 16.046 -0.828 1868 2HB ARG 83 2HB ARG 83 5.186 16.382 -1.794 1869 1HG ARG 83 1HG ARG 83 7.975 16.426 -3.016 1870 2HG ARG 83 2HG ARG 83 7.075 14.923 -2.824 1871 1HD ARG 83 1HD ARG 83 6.097 17.330 -4.443 1872 2HD ARG 83 2HD ARG 83 6.896 15.907 -5.081 1873 HE ARG 83 HE ARG 83 5.090 14.539 -4.662 1874 1HH1 ARG 83 2HH2 ARG 83 4.334 17.857 -3.653 1875 2HH1 ARG 83 1HH2 ARG 83 2.657 17.542 -3.354 1876 1HH2 ARG 83 1HH1 ARG 83 2.934 14.088 -4.292 1877 2HH2 ARG 83 2HH1 ARG 83 1.858 15.287 -3.647 1878 H LEU 84 H LEU 84 6.555 18.120 1.079 1879 HA LEU 84 HA LEU 84 3.907 19.043 1.628 1880 1HB LEU 84 1HB LEU 84 6.512 18.980 3.157 1881 2HB LEU 84 2HB LEU 84 5.164 19.883 3.833 1882 HG LEU 84 HG LEU 84 4.809 17.008 2.944 1883 1HD1 LEU 84 1HD1 LEU 84 5.740 18.003 5.670 1884 2HD1 LEU 84 2HD1 LEU 84 5.227 16.343 5.293 1885 3HD1 LEU 84 3HD1 LEU 84 6.675 17.011 4.527 1886 1HD2 LEU 84 1HD2 LEU 84 2.737 18.321 3.412 1887 2HD2 LEU 84 2HD2 LEU 84 2.991 17.126 4.691 1888 3HD2 LEU 84 3HD2 LEU 84 3.398 18.820 4.980 1889 H GLY 85 H GLY 85 6.761 20.778 0.576 1890 1HA GLY 85 1HA GLY 85 6.256 23.433 1.197 1891 2HA GLY 85 2HA GLY 85 6.993 22.838 -0.291 1892 H LEU 86 H LEU 86 4.256 21.326 -0.853 1893 HA LEU 86 HA LEU 86 2.943 23.179 -2.476 1894 1HB LEU 86 1HB LEU 86 2.375 20.799 -2.504 1895 2HB LEU 86 2HB LEU 86 1.824 20.872 -0.827 1896 HG LEU 86 HG LEU 86 -0.045 22.387 -1.489 1897 1HD1 LEU 86 1HD1 LEU 86 0.907 23.469 -3.488 1898 2HD1 LEU 86 2HD1 LEU 86 0.983 21.901 -4.323 1899 3HD1 LEU 86 3HD1 LEU 86 -0.585 22.625 -3.909 1900 1HD2 LEU 86 1HD2 LEU 86 -0.020 19.878 -3.174 1901 2HD2 LEU 86 2HD2 LEU 86 -1.427 20.748 -2.546 1902 3HD2 LEU 86 3HD2 LEU 86 -0.346 19.914 -1.420 1903 H GLU 87 H GLU 87 2.524 22.554 1.022 1904 HA GLU 87 HA GLU 87 1.098 23.478 2.568 1905 1HB GLU 87 1HB GLU 87 2.456 25.945 1.414 1906 2HB GLU 87 2HB GLU 87 1.696 25.831 3.012 1907 1HG GLU 87 1HG GLU 87 3.278 23.964 3.597 1908 2HG GLU 87 2HG GLU 87 4.095 24.220 2.050 Start of MODEL 19 1 1H SER 1 1H SER 1 10.523 3.369 -14.457 2 2H SER 1 2H SER 1 9.307 2.484 -15.109 3 3H SER 1 3H SER 1 10.055 1.963 -13.722 4 HA SER 1 HA SER 1 9.271 3.829 -12.503 5 1HB SER 1 1HB SER 1 7.839 4.656 -15.031 6 2HB SER 1 2HB SER 1 8.010 5.593 -13.519 7 HG SER 1 HG SER 1 9.583 6.374 -14.846 8 H GLU 2 H GLU 2 8.186 1.113 -13.851 9 HA GLU 2 HA GLU 2 5.446 1.329 -14.104 10 1HB GLU 2 1HB GLU 2 6.948 -0.655 -14.716 11 2HB GLU 2 2HB GLU 2 6.790 -1.181 -13.033 12 1HG GLU 2 1HG GLU 2 5.141 -2.343 -14.370 13 2HG GLU 2 2HG GLU 2 4.283 -1.189 -13.339 14 H LEU 3 H LEU 3 7.245 0.583 -11.078 15 HA LEU 3 HA LEU 3 4.975 0.327 -9.383 16 1HB LEU 3 1HB LEU 3 7.661 1.610 -8.718 17 2HB LEU 3 2HB LEU 3 6.410 1.132 -7.555 18 HG LEU 3 HG LEU 3 8.095 -0.727 -9.278 19 1HD1 LEU 3 1HD1 LEU 3 9.156 0.170 -7.237 20 2HD1 LEU 3 2HD1 LEU 3 7.759 -0.341 -6.268 21 3HD1 LEU 3 3HD1 LEU 3 8.791 -1.553 -7.041 22 1HD2 LEU 3 1HD2 LEU 3 5.685 -1.349 -7.541 23 2HD2 LEU 3 2HD2 LEU 3 5.896 -1.734 -9.266 24 3HD2 LEU 3 3HD2 LEU 3 6.872 -2.567 -8.053 25 H GLU 4 H GLU 4 6.663 3.330 -10.440 26 HA GLU 4 HA GLU 4 5.033 5.083 -8.845 27 1HB GLU 4 1HB GLU 4 6.654 5.553 -11.360 28 2HB GLU 4 2HB GLU 4 5.833 6.834 -10.460 29 1HG GLU 4 1HG GLU 4 7.090 6.443 -8.477 30 2HG GLU 4 2HG GLU 4 7.766 4.932 -9.081 31 H LYS 5 H LYS 5 4.740 3.737 -12.121 32 HA LYS 5 HA LYS 5 2.521 5.315 -12.968 33 1HB LYS 5 1HB LYS 5 3.877 4.014 -14.537 34 2HB LYS 5 2HB LYS 5 3.342 2.509 -13.799 35 1HG LYS 5 1HG LYS 5 2.154 2.929 -15.883 36 2HG LYS 5 2HG LYS 5 1.064 2.827 -14.516 37 1HD LYS 5 1HD LYS 5 0.407 4.624 -16.060 38 2HD LYS 5 2HD LYS 5 0.763 5.255 -14.458 39 1HE LYS 5 1HE LYS 5 1.674 6.703 -16.238 40 2HE LYS 5 2HE LYS 5 2.980 6.059 -15.241 41 1HZ LYS 5 1HZ LYS 5 3.473 5.935 -17.569 42 2HZ LYS 5 2HZ LYS 5 3.381 4.420 -16.932 43 3HZ LYS 5 3HZ LYS 5 2.146 5.002 -17.854 44 H ALA 6 H ALA 6 2.705 2.058 -11.517 45 HA ALA 6 HA ALA 6 -0.016 1.512 -11.125 46 1HB ALA 6 1HB ALA 6 0.843 0.038 -9.258 47 2HB ALA 6 2HB ALA 6 1.773 -0.120 -10.764 48 3HB ALA 6 3HB ALA 6 2.419 0.811 -9.415 49 H VAL 7 H VAL 7 2.267 3.053 -8.834 50 HA VAL 7 HA VAL 7 0.480 3.692 -6.785 51 HB VAL 7 HB VAL 7 3.105 4.805 -7.755 52 1HG1 VAL 7 1HG1 VAL 7 3.326 6.088 -5.689 53 2HG1 VAL 7 2HG1 VAL 7 2.096 6.758 -6.773 54 3HG1 VAL 7 3HG1 VAL 7 1.605 5.819 -5.342 55 1HG2 VAL 7 1HG2 VAL 7 3.941 3.738 -5.724 56 2HG2 VAL 7 2HG2 VAL 7 2.288 3.373 -5.191 57 3HG2 VAL 7 3HG2 VAL 7 2.961 2.557 -6.608 58 H VAL 8 H VAL 8 1.438 5.933 -9.516 59 HA VAL 8 HA VAL 8 -0.414 7.909 -8.569 60 HB VAL 8 HB VAL 8 -0.131 9.107 -10.599 61 1HG1 VAL 8 1HG1 VAL 8 2.270 9.516 -10.485 62 2HG1 VAL 8 2HG1 VAL 8 1.586 9.287 -8.866 63 3HG1 VAL 8 3HG1 VAL 8 2.525 7.987 -9.626 64 1HG2 VAL 8 1HG2 VAL 8 -0.141 7.353 -12.293 65 2HG2 VAL 8 2HG2 VAL 8 1.316 8.347 -12.436 66 3HG2 VAL 8 3HG2 VAL 8 1.409 6.745 -11.691 67 H ALA 9 H ALA 9 -0.819 5.129 -10.804 68 HA ALA 9 HA ALA 9 -3.435 5.832 -11.658 69 1HB ALA 9 1HB ALA 9 -2.139 3.971 -12.632 70 2HB ALA 9 2HB ALA 9 -2.394 3.020 -11.154 71 3HB ALA 9 3HB ALA 9 -3.777 3.499 -12.143 72 H LEU 10 H LEU 10 -2.333 4.100 -8.668 73 HA LEU 10 HA LEU 10 -4.914 3.650 -7.582 74 1HB LEU 10 1HB LEU 10 -2.535 4.498 -5.884 75 2HB LEU 10 2HB LEU 10 -3.952 3.579 -5.407 76 HG LEU 10 HG LEU 10 -1.631 2.636 -7.098 77 1HD1 LEU 10 1HD1 LEU 10 -2.718 1.728 -4.417 78 2HD1 LEU 10 2HD1 LEU 10 -1.297 1.073 -5.258 79 3HD1 LEU 10 3HD1 LEU 10 -1.281 2.748 -4.678 80 1HD2 LEU 10 1HD2 LEU 10 -4.226 1.180 -6.461 81 2HD2 LEU 10 2HD2 LEU 10 -3.590 1.602 -8.080 82 3HD2 LEU 10 3HD2 LEU 10 -2.758 0.402 -7.086 83 H ILE 11 H ILE 11 -2.764 6.497 -7.152 84 HA ILE 11 HA ILE 11 -4.566 7.984 -5.522 85 HB ILE 11 HB ILE 11 -2.396 9.019 -7.384 86 1HG1 ILE 11 1HG1 ILE 11 -2.394 8.367 -4.395 87 2HG1 ILE 11 2HG1 ILE 11 -1.579 7.440 -5.655 88 1HG2 ILE 11 1HG2 ILE 11 -4.047 10.804 -6.739 89 2HG2 ILE 11 2HG2 ILE 11 -3.767 10.407 -5.031 90 3HG2 ILE 11 3HG2 ILE 11 -2.470 11.082 -6.038 91 1HD1 ILE 11 1HD1 ILE 11 -0.172 9.444 -6.192 92 2HD1 ILE 11 2HD1 ILE 11 -0.863 10.266 -4.776 93 3HD1 ILE 11 3HD1 ILE 11 0.067 8.791 -4.561 94 H ASP 12 H ASP 12 -4.089 8.085 -9.067 95 HA ASP 12 HA ASP 12 -5.914 10.164 -9.620 96 1HB ASP 12 1HB ASP 12 -4.221 9.448 -11.211 97 2HB ASP 12 2HB ASP 12 -4.928 7.827 -11.306 98 H VAL 13 H VAL 13 -6.400 6.590 -9.805 99 HA VAL 13 HA VAL 13 -9.145 6.749 -10.594 100 HB VAL 13 HB VAL 13 -7.512 4.603 -9.204 101 1HG1 VAL 13 1HG1 VAL 13 -10.328 4.411 -10.357 102 2HG1 VAL 13 2HG1 VAL 13 -9.315 3.032 -9.888 103 3HG1 VAL 13 3HG1 VAL 13 -9.873 4.164 -8.652 104 1HG2 VAL 13 1HG2 VAL 13 -8.554 4.858 -12.065 105 2HG2 VAL 13 2HG2 VAL 13 -6.889 5.215 -11.576 106 3HG2 VAL 13 3HG2 VAL 13 -7.513 3.565 -11.432 107 H PHE 14 H PHE 14 -7.578 6.408 -7.353 108 HA PHE 14 HA PHE 14 -9.951 6.373 -5.831 109 1HB PHE 14 1HB PHE 14 -7.703 5.966 -4.913 110 2HB PHE 14 2HB PHE 14 -7.279 7.659 -5.142 111 HD1 PHE 14 HD1 PHE 14 -9.275 5.268 -3.183 112 HD2 PHE 14 HD2 PHE 14 -8.360 9.451 -3.738 113 HE1 PHE 14 HE1 PHE 14 -10.193 5.786 -0.930 114 HE2 PHE 14 HE2 PHE 14 -9.335 9.957 -1.549 115 HZ PHE 14 HZ PHE 14 -10.227 8.110 -0.109 116 H HIS 15 H HIS 15 -8.002 9.191 -6.901 117 HA HIS 15 HA HIS 15 -9.503 11.268 -5.778 118 1HB HIS 15 1HB HIS 15 -7.342 11.675 -6.698 119 2HB HIS 15 2HB HIS 15 -7.811 11.091 -8.289 120 HD1 HIS 15 HD1 HIS 15 -9.280 12.729 -9.844 121 HD2 HIS 15 HD2 HIS 15 -7.943 14.237 -6.139 122 HE1 HIS 15 HE1 HIS 15 -9.581 15.259 -9.927 123 H GLN 16 H GLN 16 -9.881 9.724 -9.021 124 HA GLN 16 HA GLN 16 -12.060 11.260 -9.911 125 1HB GLN 16 1HB GLN 16 -11.001 8.524 -10.513 126 2HB GLN 16 2HB GLN 16 -12.699 8.788 -10.906 127 1HG GLN 16 1HG GLN 16 -11.344 9.282 -12.821 128 2HG GLN 16 2HG GLN 16 -12.153 10.745 -12.253 129 1HE2 GLN 16 1HE2 GLN 16 -9.105 9.366 -13.109 130 2HE2 GLN 16 2HE2 GLN 16 -8.107 10.686 -12.543 131 H TYR 17 H TYR 17 -12.224 8.308 -7.862 132 HA TYR 17 HA TYR 17 -15.124 8.515 -7.678 133 1HB TYR 17 1HB TYR 17 -13.101 6.812 -6.205 134 2HB TYR 17 2HB TYR 17 -14.844 6.723 -5.949 135 HD1 TYR 17 HD1 TYR 17 -16.323 6.551 -8.162 136 HD2 TYR 17 HD2 TYR 17 -12.202 5.323 -7.848 137 HE1 TYR 17 HE1 TYR 17 -16.590 5.126 -10.160 138 HE2 TYR 17 HE2 TYR 17 -12.536 3.760 -9.752 139 HH TYR 17 HH TYR 17 -15.764 3.175 -11.154 140 H SER 18 H SER 18 -12.534 9.094 -5.256 141 HA SER 18 HA SER 18 -14.320 9.959 -3.207 142 1HB SER 18 1HB SER 18 -12.276 10.946 -2.179 143 2HB SER 18 2HB SER 18 -12.089 9.245 -2.639 144 HG SER 18 HG SER 18 -10.933 9.879 -4.439 145 H GLY 19 H GLY 19 -12.981 11.692 -5.995 146 1HA GLY 19 1HA GLY 19 -13.522 14.352 -5.184 147 2HA GLY 19 2HA GLY 19 -13.501 13.724 -6.843 148 H ARG 20 H ARG 20 -15.676 11.721 -6.344 149 HA ARG 20 HA ARG 20 -17.808 13.572 -7.029 150 1HB ARG 20 1HB ARG 20 -18.315 10.639 -6.570 151 2HB ARG 20 2HB ARG 20 -19.057 11.772 -7.705 152 1HG ARG 20 1HG ARG 20 -16.595 11.860 -8.733 153 2HG ARG 20 2HG ARG 20 -16.407 10.366 -7.826 154 1HD ARG 20 1HD ARG 20 -17.062 9.487 -9.831 155 2HD ARG 20 2HD ARG 20 -18.587 9.558 -8.961 156 HE ARG 20 HE ARG 20 -19.361 11.092 -10.506 157 1HH1 ARG 20 1HH1 ARG 20 -15.825 11.087 -10.586 158 2HH1 ARG 20 2HH1 ARG 20 -15.709 12.011 -12.060 159 1HH2 ARG 20 1HH2 ARG 20 -19.227 12.356 -12.407 160 2HH2 ARG 20 2HH2 ARG 20 -17.684 12.783 -13.091 161 H GLU 21 H GLU 21 -17.271 11.187 -4.380 162 HA GLU 21 HA GLU 21 -18.787 12.975 -2.570 163 1HB GLU 21 1HB GLU 21 -19.444 10.030 -2.717 164 2HB GLU 21 2HB GLU 21 -20.157 11.257 -1.662 165 1HG GLU 21 1HG GLU 21 -21.087 12.415 -3.657 166 2HG GLU 21 2HG GLU 21 -20.456 11.120 -4.691 167 H GLY 22 H GLY 22 -17.142 13.500 -1.332 168 1HA GLY 22 1HA GLY 22 -16.188 12.707 0.859 169 2HA GLY 22 2HA GLY 22 -15.469 11.370 -0.032 170 H ASP 23 H ASP 23 -15.735 14.688 -1.189 171 HA ASP 23 HA ASP 23 -14.155 16.003 -2.157 172 1HB ASP 23 1HB ASP 23 -14.922 16.950 -0.008 173 2HB ASP 23 2HB ASP 23 -13.562 16.171 0.820 174 H LYS 24 H LYS 24 -13.063 13.777 -2.882 175 HA LYS 24 HA LYS 24 -11.128 13.052 -3.795 176 1HB LYS 24 1HB LYS 24 -9.874 15.593 -2.713 177 2HB LYS 24 2HB LYS 24 -9.205 14.521 -3.942 178 1HG LYS 24 1HG LYS 24 -11.106 14.943 -5.426 179 2HG LYS 24 2HG LYS 24 -11.845 16.030 -4.223 180 1HD LYS 24 1HD LYS 24 -9.898 17.533 -4.338 181 2HD LYS 24 2HD LYS 24 -9.099 16.434 -5.479 182 1HE LYS 24 1HE LYS 24 -11.037 16.745 -7.065 183 2HE LYS 24 2HE LYS 24 -11.698 17.965 -5.955 184 1HZ LYS 24 1HZ LYS 24 -9.088 18.059 -7.303 185 2HZ LYS 24 2HZ LYS 24 -10.417 18.947 -7.701 186 3HZ LYS 24 3HZ LYS 24 -9.658 19.204 -6.259 187 H HIS 25 H HIS 25 -11.541 12.939 -0.530 188 HA HIS 25 HA HIS 25 -8.857 11.658 -0.011 189 1HB HIS 25 1HB HIS 25 -10.447 13.542 1.749 190 2HB HIS 25 2HB HIS 25 -9.063 12.580 2.285 191 HD1 HIS 25 HD1 HIS 25 -9.846 15.560 0.002 192 HD2 HIS 25 HD2 HIS 25 -6.603 13.318 1.473 193 HE1 HIS 25 HE1 HIS 25 -7.727 16.841 -0.622 194 H LYS 26 H LYS 26 -12.355 11.523 0.474 195 HA LYS 26 HA LYS 26 -12.061 8.950 1.940 196 1HB LYS 26 1HB LYS 26 -14.382 10.908 2.040 197 2HB LYS 26 2HB LYS 26 -14.176 9.434 2.988 198 1HG LYS 26 1HG LYS 26 -12.493 11.964 3.239 199 2HG LYS 26 2HG LYS 26 -13.821 11.456 4.295 200 1HD LYS 26 1HD LYS 26 -12.503 9.293 4.734 201 2HD LYS 26 2HD LYS 26 -11.126 10.103 3.946 202 1HE LYS 26 1HE LYS 26 -12.632 11.179 6.369 203 2HE LYS 26 2HE LYS 26 -11.106 10.285 6.435 204 1HZ LYS 26 1HZ LYS 26 -11.493 12.842 5.053 205 2HZ LYS 26 2HZ LYS 26 -10.719 12.621 6.492 206 3HZ LYS 26 3HZ LYS 26 -10.089 11.978 5.111 207 H LEU 27 H LEU 27 -13.676 7.354 1.434 208 HA LEU 27 HA LEU 27 -15.250 7.761 -1.104 209 1HB LEU 27 1HB LEU 27 -14.145 5.201 0.126 210 2HB LEU 27 2HB LEU 27 -15.209 5.273 -1.279 211 HG LEU 27 HG LEU 27 -12.425 6.474 -1.165 212 1HD1 LEU 27 1HD1 LEU 27 -12.382 4.007 -0.917 213 2HD1 LEU 27 2HD1 LEU 27 -13.449 3.842 -2.328 214 3HD1 LEU 27 3HD1 LEU 27 -11.795 4.458 -2.531 215 1HD2 LEU 27 1HD2 LEU 27 -14.214 5.860 -3.561 216 2HD2 LEU 27 2HD2 LEU 27 -13.872 7.489 -2.932 217 3HD2 LEU 27 3HD2 LEU 27 -12.564 6.509 -3.622 218 H LYS 28 H LYS 28 -17.421 7.910 -0.614 219 HA LYS 28 HA LYS 28 -18.467 6.913 1.948 220 1HB LYS 28 1HB LYS 28 -20.035 7.755 -0.503 221 2HB LYS 28 2HB LYS 28 -20.600 7.625 1.166 222 1HG LYS 28 1HG LYS 28 -18.410 9.421 1.284 223 2HG LYS 28 2HG LYS 28 -19.232 9.772 -0.246 224 1HD LYS 28 1HD LYS 28 -21.430 9.825 1.155 225 2HD LYS 28 2HD LYS 28 -20.391 9.746 2.581 226 1HE LYS 28 1HE LYS 28 -20.893 12.003 0.675 227 2HE LYS 28 2HE LYS 28 -20.728 12.007 2.443 228 1HZ LYS 28 1HZ LYS 28 -18.527 11.725 0.520 229 2HZ LYS 28 2HZ LYS 28 -18.915 13.094 1.351 230 3HZ LYS 28 3HZ LYS 28 -18.371 11.768 2.157 231 H LYS 29 H LYS 29 -20.451 5.324 1.756 232 HA LYS 29 HA LYS 29 -19.541 2.859 0.830 233 1HB LYS 29 1HB LYS 29 -21.740 1.990 1.303 234 2HB LYS 29 2HB LYS 29 -21.213 3.095 2.548 235 1HG LYS 29 1HG LYS 29 -22.665 4.914 1.428 236 2HG LYS 29 2HG LYS 29 -23.232 3.640 0.342 237 1HD LYS 29 1HD LYS 29 -24.901 3.575 1.875 238 2HD LYS 29 2HD LYS 29 -23.842 2.353 2.575 239 1HE LYS 29 1HE LYS 29 -24.071 5.295 3.409 240 2HE LYS 29 2HE LYS 29 -24.781 3.915 4.254 241 1HZ LYS 29 1HZ LYS 29 -22.781 4.615 5.290 242 2HZ LYS 29 2HZ LYS 29 -22.572 3.102 4.682 243 3HZ LYS 29 3HZ LYS 29 -21.913 4.403 3.911 244 H SER 30 H SER 30 -21.534 5.266 -0.883 245 HA SER 30 HA SER 30 -22.326 3.788 -3.159 246 1HB SER 30 1HB SER 30 -22.210 6.313 -4.036 247 2HB SER 30 2HB SER 30 -23.402 5.844 -2.806 248 HG SER 30 HG SER 30 -21.983 7.763 -2.352 249 H GLU 31 H GLU 31 -19.474 5.921 -2.514 250 HA GLU 31 HA GLU 31 -18.375 5.505 -5.155 251 1HB GLU 31 1HB GLU 31 -16.939 6.427 -2.624 252 2HB GLU 31 2HB GLU 31 -16.421 6.659 -4.298 253 1HG GLU 31 1HG GLU 31 -18.835 7.899 -2.933 254 2HG GLU 31 2HG GLU 31 -17.394 8.748 -3.502 255 H LEU 32 H LEU 32 -17.772 4.104 -1.970 256 HA LEU 32 HA LEU 32 -15.581 2.494 -2.543 257 1HB LEU 32 1HB LEU 32 -16.398 3.101 -0.331 258 2HB LEU 32 2HB LEU 32 -17.843 2.096 -0.543 259 HG LEU 32 HG LEU 32 -16.001 1.237 0.936 260 1HD1 LEU 32 1HD1 LEU 32 -16.785 -0.666 -1.294 261 2HD1 LEU 32 2HD1 LEU 32 -16.267 -1.068 0.346 262 3HD1 LEU 32 3HD1 LEU 32 -17.798 -0.217 0.094 263 1HD2 LEU 32 1HD2 LEU 32 -14.544 0.579 -1.642 264 2HD2 LEU 32 2HD2 LEU 32 -14.084 1.867 -0.505 265 3HD2 LEU 32 3HD2 LEU 32 -14.056 0.171 0.011 266 H LYS 33 H LYS 33 -19.109 1.537 -2.611 267 HA LYS 33 HA LYS 33 -18.549 -1.099 -3.432 268 1HB LYS 33 1HB LYS 33 -20.782 -1.352 -4.095 269 2HB LYS 33 2HB LYS 33 -20.689 -0.352 -2.631 270 1HG LYS 33 1HG LYS 33 -21.162 1.653 -3.906 271 2HG LYS 33 2HG LYS 33 -21.324 0.721 -5.402 272 1HD LYS 33 1HD LYS 33 -23.069 0.537 -2.915 273 2HD LYS 33 2HD LYS 33 -23.502 1.236 -4.475 274 1HE LYS 33 1HE LYS 33 -23.035 -1.717 -3.853 275 2HE LYS 33 2HE LYS 33 -24.542 -0.935 -4.325 276 1HZ LYS 33 1HZ LYS 33 -22.150 -1.221 -6.000 277 2HZ LYS 33 2HZ LYS 33 -23.552 -2.063 -6.152 278 3HZ LYS 33 3HZ LYS 33 -23.533 -0.442 -6.452 279 H GLU 34 H GLU 34 -19.294 1.725 -5.458 280 HA GLU 34 HA GLU 34 -19.137 0.303 -7.919 281 1HB GLU 34 1HB GLU 34 -20.188 2.358 -8.165 282 2HB GLU 34 2HB GLU 34 -19.053 3.202 -7.107 283 1HG GLU 34 1HG GLU 34 -18.880 4.012 -9.386 284 2HG GLU 34 2HG GLU 34 -17.373 3.303 -8.807 285 H LEU 35 H LEU 35 -16.683 2.192 -6.150 286 HA LEU 35 HA LEU 35 -14.461 1.883 -7.799 287 1HB LEU 35 1HB LEU 35 -14.456 3.320 -5.929 288 2HB LEU 35 2HB LEU 35 -14.826 2.039 -4.794 289 HG LEU 35 HG LEU 35 -12.528 3.048 -4.757 290 1HD1 LEU 35 1HD1 LEU 35 -13.080 0.933 -3.597 291 2HD1 LEU 35 2HD1 LEU 35 -12.547 0.015 -5.024 292 3HD1 LEU 35 3HD1 LEU 35 -11.401 1.016 -4.144 293 1HD2 LEU 35 1HD2 LEU 35 -10.854 2.421 -6.298 294 2HD2 LEU 35 2HD2 LEU 35 -11.893 1.205 -7.060 295 3HD2 LEU 35 3HD2 LEU 35 -12.223 2.935 -7.287 296 H ILE 36 H ILE 36 -15.545 -0.421 -5.161 297 HA ILE 36 HA ILE 36 -13.479 -2.281 -5.868 298 HB ILE 36 HB ILE 36 -16.067 -2.770 -4.357 299 1HG1 ILE 36 1HG1 ILE 36 -13.176 -2.358 -3.422 300 2HG1 ILE 36 2HG1 ILE 36 -14.444 -1.139 -3.338 301 1HG2 ILE 36 1HG2 ILE 36 -14.841 -4.849 -3.577 302 2HG2 ILE 36 2HG2 ILE 36 -15.210 -4.891 -5.295 303 3HG2 ILE 36 3HG2 ILE 36 -13.571 -4.485 -4.747 304 1HD1 ILE 36 1HD1 ILE 36 -15.785 -2.714 -1.880 305 2HD1 ILE 36 2HD1 ILE 36 -14.338 -3.736 -1.772 306 3HD1 ILE 36 3HD1 ILE 36 -14.284 -2.082 -1.170 307 H ASN 37 H ASN 37 -16.955 -2.243 -6.761 308 HA ASN 37 HA ASN 37 -17.070 -4.620 -8.248 309 1HB ASN 37 1HB ASN 37 -18.506 -1.955 -8.580 310 2HB ASN 37 2HB ASN 37 -18.768 -3.296 -9.709 311 1HD2 ASN 37 2HD2 ASN 37 -18.865 -2.618 -6.171 312 2HD2 ASN 37 1HD2 ASN 37 -20.271 -3.635 -5.883 313 H ASN 38 H ASN 38 -16.231 -1.365 -9.410 314 HA ASN 38 HA ASN 38 -15.776 -2.145 -12.142 315 1HB ASN 38 1HB ASN 38 -16.553 0.061 -11.294 316 2HB ASN 38 2HB ASN 38 -14.942 0.366 -10.610 317 1HD2 ASN 38 1HD2 ASN 38 -16.572 1.754 -12.761 318 2HD2 ASN 38 2HD2 ASN 38 -15.475 1.818 -14.141 319 H GLU 39 H GLU 39 -13.590 -1.261 -9.403 320 HA GLU 39 HA GLU 39 -11.299 -1.607 -11.142 321 1HB GLU 39 1HB GLU 39 -11.403 -0.848 -8.234 322 2HB GLU 39 2HB GLU 39 -9.997 -0.857 -9.281 323 1HG GLU 39 1HG GLU 39 -12.467 0.873 -9.754 324 2HG GLU 39 2HG GLU 39 -10.933 1.424 -9.076 325 H LEU 40 H LEU 40 -12.926 -3.744 -8.910 326 HA LEU 40 HA LEU 40 -10.538 -5.543 -8.991 327 1HB LEU 40 1HB LEU 40 -12.675 -5.171 -6.933 328 2HB LEU 40 2HB LEU 40 -12.030 -6.769 -7.199 329 HG LEU 40 HG LEU 40 -9.706 -5.893 -6.927 330 1HD1 LEU 40 1HD1 LEU 40 -10.131 -3.468 -7.206 331 2HD1 LEU 40 2HD1 LEU 40 -11.196 -3.487 -5.777 332 3HD1 LEU 40 3HD1 LEU 40 -9.456 -3.819 -5.611 333 1HD2 LEU 40 1HD2 LEU 40 -10.705 -7.192 -5.209 334 2HD2 LEU 40 2HD2 LEU 40 -9.979 -5.786 -4.415 335 3HD2 LEU 40 3HD2 LEU 40 -11.730 -5.847 -4.664 336 H SER 41 H SER 41 -12.807 -5.131 -11.203 337 HA SER 41 HA SER 41 -14.448 -7.331 -11.125 338 1HB SER 41 1HB SER 41 -13.271 -6.249 -13.698 339 2HB SER 41 2HB SER 41 -14.879 -6.945 -13.424 340 HG SER 41 HG SER 41 -15.123 -5.072 -11.885 341 H HIS 42 H HIS 42 -11.014 -7.586 -11.636 342 HA HIS 42 HA HIS 42 -11.282 -10.305 -12.850 343 1HB HIS 42 1HB HIS 42 -8.757 -8.671 -12.561 344 2HB HIS 42 2HB HIS 42 -9.029 -10.107 -13.541 345 HD1 HIS 42 HD1 HIS 42 -11.897 -8.643 -14.705 346 HD2 HIS 42 HD2 HIS 42 -7.903 -7.320 -14.728 347 HE1 HIS 42 HE1 HIS 42 -11.721 -6.859 -16.533 348 H PHE 43 H PHE 43 -10.989 -8.807 -9.853 349 HA PHE 43 HA PHE 43 -9.329 -10.971 -8.616 350 1HB PHE 43 1HB PHE 43 -9.415 -7.991 -8.301 351 2HB PHE 43 2HB PHE 43 -9.192 -8.936 -6.854 352 HD1 PHE 43 HD1 PHE 43 -6.974 -9.218 -6.181 353 HD2 PHE 43 HD2 PHE 43 -7.832 -9.035 -10.399 354 HE1 PHE 43 HE1 PHE 43 -4.557 -9.264 -6.676 355 HE2 PHE 43 HE2 PHE 43 -5.422 -9.265 -10.897 356 HZ PHE 43 HZ PHE 43 -3.772 -9.368 -9.045 357 H LEU 44 H LEU 44 -12.380 -9.186 -8.500 358 HA LEU 44 HA LEU 44 -13.375 -11.060 -6.474 359 1HB LEU 44 1HB LEU 44 -12.572 -8.452 -5.824 360 2HB LEU 44 2HB LEU 44 -14.310 -8.282 -6.031 361 HG LEU 44 HG LEU 44 -12.974 -10.408 -4.295 362 1HD1 LEU 44 1HD1 LEU 44 -12.295 -8.178 -3.513 363 2HD1 LEU 44 2HD1 LEU 44 -13.986 -7.633 -3.527 364 3HD1 LEU 44 3HD1 LEU 44 -13.456 -8.880 -2.377 365 1HD2 LEU 44 1HD2 LEU 44 -15.235 -11.055 -4.650 366 2HD2 LEU 44 2HD2 LEU 44 -15.169 -10.294 -3.069 367 3HD2 LEU 44 3HD2 LEU 44 -15.830 -9.383 -4.446 368 H GLU 45 H GLU 45 -15.753 -10.984 -6.448 369 HA GLU 45 HA GLU 45 -16.889 -10.585 -9.151 370 1HB GLU 45 1HB GLU 45 -18.036 -11.684 -6.552 371 2HB GLU 45 2HB GLU 45 -18.947 -11.563 -8.063 372 1HG GLU 45 1HG GLU 45 -17.326 -12.992 -9.228 373 2HG GLU 45 2HG GLU 45 -16.348 -13.128 -7.765 374 H GLU 46 H GLU 46 -19.150 -9.534 -9.159 375 HA GLU 46 HA GLU 46 -19.019 -6.830 -8.315 376 1HB GLU 46 1HB GLU 46 -21.224 -6.627 -9.195 377 2HB GLU 46 2HB GLU 46 -20.321 -7.700 -10.271 378 1HG GLU 46 1HG GLU 46 -21.362 -9.662 -9.045 379 2HG GLU 46 2HG GLU 46 -22.235 -8.482 -8.060 380 H ILE 47 H ILE 47 -20.415 -5.787 -6.890 381 HA ILE 47 HA ILE 47 -21.282 -7.281 -4.478 382 HB ILE 47 HB ILE 47 -19.554 -4.837 -4.037 383 1HG1 ILE 47 1HG1 ILE 47 -18.518 -7.626 -4.579 384 2HG1 ILE 47 2HG1 ILE 47 -18.073 -6.113 -5.401 385 1HG2 ILE 47 1HG2 ILE 47 -21.042 -6.023 -2.296 386 2HG2 ILE 47 2HG2 ILE 47 -19.913 -7.380 -2.425 387 3HG2 ILE 47 3HG2 ILE 47 -19.341 -5.799 -1.854 388 1HD1 ILE 47 1HD1 ILE 47 -17.400 -6.902 -2.545 389 2HD1 ILE 47 2HD1 ILE 47 -16.311 -6.716 -3.924 390 3HD1 ILE 47 3HD1 ILE 47 -17.126 -5.284 -3.242 391 H LYS 48 H LYS 48 -23.367 -6.771 -5.007 392 HA LYS 48 HA LYS 48 -24.160 -3.925 -5.306 393 1HB LYS 48 1HB LYS 48 -26.292 -4.818 -6.073 394 2HB LYS 48 2HB LYS 48 -24.912 -5.359 -7.035 395 1HG LYS 48 1HG LYS 48 -24.972 -7.578 -5.906 396 2HG LYS 48 2HG LYS 48 -26.363 -7.036 -4.935 397 1HD LYS 48 1HD LYS 48 -27.655 -6.677 -7.024 398 2HD LYS 48 2HD LYS 48 -26.246 -7.176 -7.985 399 1HE LYS 48 1HE LYS 48 -26.304 -9.419 -6.910 400 2HE LYS 48 2HE LYS 48 -27.731 -8.930 -5.973 401 1HZ LYS 48 1HZ LYS 48 -28.320 -10.156 -7.923 402 2HZ LYS 48 2HZ LYS 48 -28.890 -8.615 -8.039 403 3HZ LYS 48 3HZ LYS 48 -27.561 -9.070 -8.901 404 H GLU 49 H GLU 49 -24.334 -6.543 -2.973 405 HA GLU 49 HA GLU 49 -26.630 -5.547 -1.584 406 1HB GLU 49 1HB GLU 49 -26.017 -7.870 -1.433 407 2HB GLU 49 2HB GLU 49 -24.439 -7.473 -0.726 408 1HG GLU 49 1HG GLU 49 -26.163 -8.291 0.923 409 2HG GLU 49 2HG GLU 49 -25.444 -6.735 1.324 410 H GLN 50 H GLN 50 -26.314 -3.376 -1.265 411 HA GLN 50 HA GLN 50 -24.245 -1.951 -0.339 412 1HB GLN 50 1HB GLN 50 -26.517 -1.132 -1.031 413 2HB GLN 50 2HB GLN 50 -27.056 -1.388 0.639 414 1HG GLN 50 1HG GLN 50 -25.256 0.161 1.429 415 2HG GLN 50 2HG GLN 50 -24.721 0.396 -0.242 416 1HE2 GLN 50 1HE2 GLN 50 -26.771 1.005 -1.770 417 2HE2 GLN 50 2HE2 GLN 50 -27.716 2.325 -1.099 418 H GLU 51 H GLU 51 -26.333 -3.939 1.821 419 HA GLU 51 HA GLU 51 -25.277 -2.903 4.267 420 1HB GLU 51 1HB GLU 51 -26.237 -5.741 3.671 421 2HB GLU 51 2HB GLU 51 -26.016 -5.019 5.270 422 1HG GLU 51 1HG GLU 51 -28.049 -4.125 3.169 423 2HG GLU 51 2HG GLU 51 -28.378 -4.983 4.673 424 H VAL 52 H VAL 52 -23.986 -5.354 2.001 425 HA VAL 52 HA VAL 52 -21.835 -6.045 3.864 426 HB VAL 52 HB VAL 52 -22.294 -6.919 0.999 427 1HG1 VAL 52 1HG1 VAL 52 -19.914 -7.001 1.446 428 2HG1 VAL 52 2HG1 VAL 52 -20.186 -7.639 3.086 429 3HG1 VAL 52 3HG1 VAL 52 -20.543 -8.632 1.673 430 1HG2 VAL 52 1HG2 VAL 52 -22.627 -8.345 3.689 431 2HG2 VAL 52 2HG2 VAL 52 -23.960 -7.806 2.661 432 3HG2 VAL 52 3HG2 VAL 52 -22.872 -9.076 2.089 433 H VAL 53 H VAL 53 -22.235 -3.961 0.892 434 HA VAL 53 HA VAL 53 -19.482 -3.394 0.719 435 HB VAL 53 HB VAL 53 -19.877 -1.799 -0.732 436 1HG1 VAL 53 1HG1 VAL 53 -22.517 -3.235 -0.979 437 2HG1 VAL 53 2HG1 VAL 53 -21.548 -2.513 -2.254 438 3HG1 VAL 53 3HG1 VAL 53 -20.935 -3.923 -1.394 439 1HG2 VAL 53 1HG2 VAL 53 -20.917 -0.048 0.405 440 2HG2 VAL 53 2HG2 VAL 53 -22.003 -0.407 -0.941 441 3HG2 VAL 53 3HG2 VAL 53 -22.411 -0.952 0.666 442 H ASP 54 H ASP 54 -22.076 -1.839 2.624 443 HA ASP 54 HA ASP 54 -20.488 0.060 3.980 444 1HB ASP 54 1HB ASP 54 -22.966 0.017 4.009 445 2HB ASP 54 2HB ASP 54 -22.930 -1.428 5.033 446 H LYS 55 H LYS 55 -21.265 -3.395 4.848 447 HA LYS 55 HA LYS 55 -19.860 -3.416 7.269 448 1HB LYS 55 1HB LYS 55 -21.365 -5.233 6.371 449 2HB LYS 55 2HB LYS 55 -20.036 -5.734 5.327 450 1HG LYS 55 1HG LYS 55 -18.788 -5.674 7.830 451 2HG LYS 55 2HG LYS 55 -20.445 -6.063 8.257 452 1HD LYS 55 1HD LYS 55 -19.367 -8.163 7.941 453 2HD LYS 55 2HD LYS 55 -20.366 -7.920 6.509 454 1HE LYS 55 1HE LYS 55 -18.209 -8.779 5.815 455 2HE LYS 55 2HE LYS 55 -18.287 -7.099 5.280 456 1HZ LYS 55 1HZ LYS 55 -16.199 -7.665 6.289 457 2HZ LYS 55 2HZ LYS 55 -16.941 -6.508 7.186 458 3HZ LYS 55 3HZ LYS 55 -16.935 -8.070 7.702 459 H VAL 56 H VAL 56 -18.545 -4.234 3.962 460 HA VAL 56 HA VAL 56 -15.948 -4.810 5.050 461 HB VAL 56 HB VAL 56 -15.057 -4.854 2.852 462 1HG1 VAL 56 1HG1 VAL 56 -16.343 -6.807 3.644 463 2HG1 VAL 56 2HG1 VAL 56 -17.813 -6.160 2.881 464 3HG1 VAL 56 3HG1 VAL 56 -16.430 -6.626 1.884 465 1HG2 VAL 56 1HG2 VAL 56 -17.706 -3.814 1.853 466 2HG2 VAL 56 2HG2 VAL 56 -16.162 -2.939 1.790 467 3HG2 VAL 56 3HG2 VAL 56 -16.388 -4.411 0.836 468 H MET 57 H MET 57 -17.378 -1.760 3.707 469 HA MET 57 HA MET 57 -14.938 -0.317 3.974 470 1HB MET 57 1HB MET 57 -16.036 1.454 3.320 471 2HB MET 57 2HB MET 57 -17.348 0.344 2.953 472 1HG MET 57 1HG MET 57 -18.358 0.941 5.203 473 2HG MET 57 2HG MET 57 -17.051 2.107 5.421 474 1HE MET 57 1HE MET 57 -17.829 4.701 2.667 475 2HE MET 57 2HE MET 57 -16.558 3.951 3.636 476 3HE MET 57 3HE MET 57 -17.071 3.192 2.114 477 H GLU 58 H GLU 58 -17.610 -0.791 6.310 478 HA GLU 58 HA GLU 58 -16.622 0.644 8.483 479 1HB GLU 58 1HB GLU 58 -18.859 -0.285 8.402 480 2HB GLU 58 2HB GLU 58 -18.234 -1.940 8.439 481 1HG GLU 58 1HG GLU 58 -17.344 -1.625 10.691 482 2HG GLU 58 2HG GLU 58 -17.761 0.092 10.640 483 H THR 59 H THR 59 -15.976 -2.708 7.537 484 HA THR 59 HA THR 59 -14.317 -3.514 9.656 485 HB THR 59 HB THR 59 -14.183 -4.301 6.716 486 HG1 THR 59 HG1 THR 59 -16.200 -4.603 7.770 487 1HG2 THR 59 1HG2 THR 59 -13.086 -5.762 9.131 488 2HG2 THR 59 2HG2 THR 59 -13.265 -6.435 7.493 489 3HG2 THR 59 3HG2 THR 59 -12.153 -5.093 7.766 490 H LEU 60 H LEU 60 -13.505 -1.386 6.897 491 HA LEU 60 HA LEU 60 -10.665 -1.241 7.865 492 1HB LEU 60 1HB LEU 60 -11.957 -0.530 5.207 493 2HB LEU 60 2HB LEU 60 -10.326 -0.062 5.670 494 HG LEU 60 HG LEU 60 -10.045 -1.835 4.260 495 1HD1 LEU 60 1HD1 LEU 60 -8.622 -1.742 6.334 496 2HD1 LEU 60 2HD1 LEU 60 -9.626 -3.051 7.008 497 3HD1 LEU 60 3HD1 LEU 60 -8.693 -3.312 5.525 498 1HD2 LEU 60 1HD2 LEU 60 -10.923 -4.091 4.553 499 2HD2 LEU 60 2HD2 LEU 60 -11.890 -3.568 5.936 500 3HD2 LEU 60 3HD2 LEU 60 -12.224 -2.911 4.317 501 H ASP 61 H ASP 61 -13.530 0.310 8.488 502 HA ASP 61 HA ASP 61 -12.761 3.005 7.841 503 1HB ASP 61 1HB ASP 61 -15.075 2.307 7.866 504 2HB ASP 61 2HB ASP 61 -14.973 1.924 9.598 505 H SER 62 H SER 62 -10.581 2.706 8.953 506 HA SER 62 HA SER 62 -10.100 2.938 11.696 507 1HB SER 62 1HB SER 62 -8.065 4.133 11.058 508 2HB SER 62 2HB SER 62 -8.372 2.839 9.878 509 HG SER 62 HG SER 62 -7.901 4.752 8.782 510 H ASP 63 H ASP 63 -11.235 5.346 9.407 511 HA ASP 63 HA ASP 63 -10.963 7.651 11.032 512 1HB ASP 63 1HB ASP 63 -12.938 7.185 8.749 513 2HB ASP 63 2HB ASP 63 -12.344 8.738 9.336 514 H GLY 64 H GLY 64 -13.289 5.069 11.249 515 1HA GLY 64 1HA GLY 64 -15.294 4.829 12.301 516 2HA GLY 64 2HA GLY 64 -14.711 6.066 13.425 517 H ASP 65 H ASP 65 -15.232 6.653 9.976 518 HA ASP 65 HA ASP 65 -17.368 8.660 10.634 519 1HB ASP 65 1HB ASP 65 -15.114 9.584 10.074 520 2HB ASP 65 2HB ASP 65 -15.160 8.718 8.528 521 H GLY 66 H GLY 66 -17.081 5.641 9.391 522 1HA GLY 66 1HA GLY 66 -18.313 4.442 7.893 523 2HA GLY 66 2HA GLY 66 -19.229 5.885 7.419 524 H GLU 67 H GLU 67 -17.758 7.596 6.362 525 HA GLU 67 HA GLU 67 -16.879 6.657 3.903 526 1HB GLU 67 1HB GLU 67 -15.735 9.232 4.990 527 2HB GLU 67 2HB GLU 67 -16.305 8.804 3.369 528 1HG GLU 67 1HG GLU 67 -18.667 8.774 4.290 529 2HG GLU 67 2HG GLU 67 -18.009 9.427 5.810 530 H CYS 68 H CYS 68 -14.979 5.791 3.184 531 HA CYS 68 HA CYS 68 -12.896 5.249 5.265 532 1HB CYS 68 1HB CYS 68 -13.822 3.859 2.741 533 2HB CYS 68 2HB CYS 68 -12.203 3.534 3.412 534 HG CYS 68 HG CYS 68 -14.996 3.547 5.161 535 H ASP 69 H ASP 69 -10.834 6.036 5.121 536 HA ASP 69 HA ASP 69 -10.426 8.183 3.230 537 1HB ASP 69 1HB ASP 69 -9.758 8.311 5.602 538 2HB ASP 69 2HB ASP 69 -8.593 6.991 5.356 539 H PHE 70 H PHE 70 -8.486 8.409 1.887 540 HA PHE 70 HA PHE 70 -7.804 6.392 0.123 541 1HB PHE 70 1HB PHE 70 -7.009 8.706 -0.083 542 2HB PHE 70 2HB PHE 70 -5.936 8.482 1.289 543 HD1 PHE 70 HD1 PHE 70 -3.878 6.964 1.046 544 HD2 PHE 70 HD2 PHE 70 -6.499 7.819 -2.256 545 HE1 PHE 70 HE1 PHE 70 -2.451 5.613 -0.442 546 HE2 PHE 70 HE2 PHE 70 -5.076 6.460 -3.754 547 HZ PHE 70 HZ PHE 70 -3.108 5.265 -2.832 548 H GLN 71 H GLN 71 -6.319 6.966 3.340 549 HA GLN 71 HA GLN 71 -4.380 4.972 3.229 550 1HB GLN 71 1HB GLN 71 -4.824 6.774 5.032 551 2HB GLN 71 2HB GLN 71 -6.037 5.688 5.705 552 1HG GLN 71 1HG GLN 71 -3.893 5.437 6.882 553 2HG GLN 71 2HG GLN 71 -4.303 3.941 6.033 554 1HE2 GLN 71 1HE2 GLN 71 -2.744 7.085 5.175 555 2HE2 GLN 71 2HE2 GLN 71 -1.484 6.369 4.171 556 H GLU 72 H GLU 72 -7.852 4.657 3.930 557 HA GLU 72 HA GLU 72 -7.574 1.868 4.832 558 1HB GLU 72 1HB GLU 72 -10.053 3.581 4.366 559 2HB GLU 72 2HB GLU 72 -9.972 2.036 5.217 560 1HG GLU 72 1HG GLU 72 -8.836 4.717 6.092 561 2HG GLU 72 2HG GLU 72 -9.978 3.694 6.935 562 H PHE 73 H PHE 73 -8.641 3.654 1.989 563 HA PHE 73 HA PHE 73 -9.409 1.417 0.370 564 1HB PHE 73 1HB PHE 73 -9.882 3.459 -0.560 565 2HB PHE 73 2HB PHE 73 -8.371 4.192 -0.076 566 HD1 PHE 73 HD1 PHE 73 -9.947 1.925 -2.561 567 HD2 PHE 73 HD2 PHE 73 -6.435 4.210 -1.532 568 HE1 PHE 73 HE1 PHE 73 -9.157 1.795 -4.916 569 HE2 PHE 73 HE2 PHE 73 -5.641 4.025 -3.872 570 HZ PHE 73 HZ PHE 73 -7.033 2.889 -5.582 571 H MET 74 H MET 74 -6.205 2.968 0.844 572 HA MET 74 HA MET 74 -4.652 1.118 -0.580 573 1HB MET 74 1HB MET 74 -3.758 3.230 -0.035 574 2HB MET 74 2HB MET 74 -4.060 3.021 1.686 575 1HG MET 74 1HG MET 74 -1.717 2.830 1.175 576 2HG MET 74 2HG MET 74 -2.347 1.359 1.901 577 1HE MET 74 1HE MET 74 -2.429 2.520 -1.953 578 2HE MET 74 2HE MET 74 -0.868 3.055 -1.281 579 3HE MET 74 3HE MET 74 -0.912 1.737 -2.467 580 H ALA 75 H ALA 75 -5.594 1.077 2.862 581 HA ALA 75 HA ALA 75 -4.253 -1.327 3.551 582 1HB ALA 75 1HB ALA 75 -6.942 -0.424 4.651 583 2HB ALA 75 2HB ALA 75 -5.787 -1.532 5.403 584 3HB ALA 75 3HB ALA 75 -5.357 0.178 5.192 585 H PHE 76 H PHE 76 -7.495 -0.872 2.079 586 HA PHE 76 HA PHE 76 -8.194 -3.655 2.068 587 1HB PHE 76 1HB PHE 76 -9.860 -1.927 1.824 588 2HB PHE 76 2HB PHE 76 -9.183 -1.428 0.280 589 HD1 PHE 76 HD1 PHE 76 -9.770 -2.603 -1.739 590 HD2 PHE 76 HD2 PHE 76 -10.908 -4.236 2.110 591 HE1 PHE 76 HE1 PHE 76 -11.317 -4.176 -2.854 592 HE2 PHE 76 HE2 PHE 76 -12.455 -5.785 0.979 593 HZ PHE 76 HZ PHE 76 -12.646 -5.780 -1.517 594 H VAL 77 H VAL 77 -6.728 -1.501 -0.401 595 HA VAL 77 HA VAL 77 -6.223 -3.373 -2.445 596 HB VAL 77 HB VAL 77 -4.667 -0.945 -1.480 597 1HG1 VAL 77 1HG1 VAL 77 -4.153 -2.623 -3.975 598 2HG1 VAL 77 2HG1 VAL 77 -3.493 -1.000 -3.689 599 3HG1 VAL 77 3HG1 VAL 77 -3.016 -2.334 -2.639 600 1HG2 VAL 77 1HG2 VAL 77 -6.944 -0.584 -2.515 601 2HG2 VAL 77 2HG2 VAL 77 -5.620 0.128 -3.450 602 3HG2 VAL 77 3HG2 VAL 77 -6.358 -1.399 -3.975 603 H ALA 78 H ALA 78 -4.235 -2.595 0.471 604 HA ALA 78 HA ALA 78 -2.137 -4.322 -0.155 605 1HB ALA 78 1HB ALA 78 -1.475 -4.195 2.175 606 2HB ALA 78 2HB ALA 78 -1.973 -2.607 1.571 607 3HB ALA 78 3HB ALA 78 -3.061 -3.541 2.627 608 H MET 79 H MET 79 -5.034 -5.124 1.902 609 HA MET 79 HA MET 79 -4.179 -7.820 2.285 610 1HB MET 79 1HB MET 79 -6.488 -8.423 2.802 611 2HB MET 79 2HB MET 79 -5.883 -7.029 3.713 612 1HG MET 79 1HG MET 79 -7.193 -5.536 2.362 613 2HG MET 79 2HG MET 79 -7.715 -6.857 1.284 614 1HE MET 79 1HE MET 79 -7.977 -5.395 4.862 615 2HE MET 79 2HE MET 79 -9.269 -6.400 5.573 616 3HE MET 79 3HE MET 79 -7.665 -7.105 5.263 617 H ILE 80 H ILE 80 -6.212 -6.436 -0.316 618 HA ILE 80 HA ILE 80 -6.819 -8.900 -1.611 619 HB ILE 80 HB ILE 80 -6.498 -6.068 -2.678 620 1HG1 ILE 80 1HG1 ILE 80 -8.259 -6.460 -0.882 621 2HG1 ILE 80 2HG1 ILE 80 -8.795 -5.745 -2.396 622 1HG2 ILE 80 1HG2 ILE 80 -7.714 -8.488 -4.044 623 2HG2 ILE 80 2HG2 ILE 80 -7.923 -6.807 -4.586 624 3HG2 ILE 80 3HG2 ILE 80 -6.318 -7.527 -4.579 625 1HD1 ILE 80 1HD1 ILE 80 -9.764 -7.921 -3.063 626 2HD1 ILE 80 2HD1 ILE 80 -9.123 -8.665 -1.581 627 3HD1 ILE 80 3HD1 ILE 80 -10.350 -7.385 -1.481 628 H THR 81 H THR 81 -4.220 -6.551 -2.224 629 HA THR 81 HA THR 81 -2.943 -7.928 -4.339 630 HB THR 81 HB THR 81 -1.700 -6.053 -2.274 631 HG1 THR 81 HG1 THR 81 -3.470 -5.087 -3.269 632 1HG2 THR 81 1HG2 THR 81 -0.078 -7.235 -3.811 633 2HG2 THR 81 2HG2 THR 81 -0.948 -6.528 -5.188 634 3HG2 THR 81 3HG2 THR 81 -0.121 -5.475 -4.031 635 H THR 82 H THR 82 -2.413 -8.052 -0.772 636 HA THR 82 HA THR 82 -0.230 -9.858 -0.800 637 HB THR 82 HB THR 82 -2.387 -9.470 1.308 638 HG1 THR 82 HG1 THR 82 -1.310 -7.585 0.905 639 1HG2 THR 82 1HG2 THR 82 -1.148 -11.553 1.706 640 2HG2 THR 82 2HG2 THR 82 0.396 -10.708 1.490 641 3HG2 THR 82 3HG2 THR 82 -0.668 -10.318 2.863 642 H ALA 83 H ALA 83 -3.775 -10.496 -0.504 643 HA ALA 83 HA ALA 83 -3.644 -13.267 -0.210 644 1HB ALA 83 1HB ALA 83 -5.702 -11.962 0.097 645 2HB ALA 83 2HB ALA 83 -5.767 -11.605 -1.643 646 3HB ALA 83 3HB ALA 83 -5.973 -13.270 -1.076 647 H CYS 84 H CYS 84 -3.784 -11.358 -3.243 648 HA CYS 84 HA CYS 84 -3.575 -13.662 -4.974 649 1HB CYS 84 1HB CYS 84 -4.401 -11.527 -5.792 650 2HB CYS 84 2HB CYS 84 -2.806 -10.766 -5.511 651 HG CYS 84 HG CYS 84 -3.135 -11.286 -8.061 652 H HIS 85 H HIS 85 -1.099 -11.284 -3.923 653 HA HIS 85 HA HIS 85 1.188 -12.128 -5.130 654 1HB HIS 85 1HB HIS 85 1.125 -10.194 -3.677 655 2HB HIS 85 2HB HIS 85 0.740 -11.183 -2.284 656 HD1 HIS 85 HD1 HIS 85 3.759 -10.116 -4.326 657 HD2 HIS 85 HD2 HIS 85 2.665 -12.482 -1.020 658 HE1 HIS 85 HE1 HIS 85 5.912 -10.704 -3.092 659 H GLU 86 H GLU 86 -0.004 -13.388 -2.000 660 HA GLU 86 HA GLU 86 1.884 -15.254 -1.306 661 1HB GLU 86 1HB GLU 86 -1.153 -15.367 -1.178 662 2HB GLU 86 2HB GLU 86 -0.135 -16.638 -0.483 663 1HG GLU 86 1HG GLU 86 0.933 -15.083 1.032 664 2HG GLU 86 2HG GLU 86 0.096 -13.706 0.307 665 H PHE 87 H PHE 87 -0.609 -15.686 -3.842 666 HA PHE 87 HA PHE 87 0.503 -18.421 -4.414 667 1HB PHE 87 1HB PHE 87 -2.312 -17.318 -4.580 668 2HB PHE 87 2HB PHE 87 -1.799 -18.832 -5.314 669 HD1 PHE 87 HD1 PHE 87 -2.420 -17.158 -2.069 670 HD2 PHE 87 HD2 PHE 87 -0.925 -20.726 -3.954 671 HE1 PHE 87 HE1 PHE 87 -2.403 -18.324 0.128 672 HE2 PHE 87 HE2 PHE 87 -1.124 -21.949 -1.808 673 HZ PHE 87 HZ PHE 87 -1.865 -20.740 0.245 674 H PHE 88 H PHE 88 0.892 -15.420 -5.533 675 HA PHE 88 HA PHE 88 0.400 -15.847 -8.359 676 1HB PHE 88 1HB PHE 88 0.894 -13.666 -7.101 677 2HB PHE 88 2HB PHE 88 2.595 -14.172 -7.106 678 HD1 PHE 88 HD1 PHE 88 -0.376 -13.565 -9.271 679 HD2 PHE 88 HD2 PHE 88 3.911 -13.857 -9.138 680 HE1 PHE 88 HE1 PHE 88 -0.228 -12.485 -11.528 681 HE2 PHE 88 HE2 PHE 88 4.067 -12.786 -11.376 682 HZ PHE 88 HZ PHE 88 2.002 -12.072 -12.558 683 H GLU 89 H GLU 89 2.934 -16.594 -6.012 684 HA GLU 89 HA GLU 89 4.611 -18.082 -7.933 685 1HB GLU 89 1HB GLU 89 4.638 -18.047 -4.874 686 2HB GLU 89 2HB GLU 89 5.881 -18.702 -5.947 687 1HG GLU 89 1HG GLU 89 5.079 -15.776 -5.610 688 2HG GLU 89 2HG GLU 89 6.595 -16.536 -5.126 689 H HIS 90 H HIS 90 2.566 -19.065 -8.698 690 HA HIS 90 HA HIS 90 0.915 -20.649 -7.080 691 1HB HIS 90 1HB HIS 90 0.250 -19.670 -9.209 692 2HB HIS 90 2HB HIS 90 1.341 -20.754 -10.080 693 HD1 HIS 90 HD1 HIS 90 0.710 -23.453 -9.754 694 HD2 HIS 90 HD2 HIS 90 -2.166 -20.601 -8.664 695 HE1 HIS 90 HE1 HIS 90 -1.556 -24.686 -9.670 696 H GLU 91 H GLU 91 2.543 -21.807 -5.864 697 HA GLU 91 HA GLU 91 3.391 -23.738 -5.144 698 1HB GLU 91 1HB GLU 91 1.152 -24.550 -6.129 699 2HB GLU 91 2HB GLU 91 2.079 -25.130 -7.509 700 1HG GLU 91 1HG GLU 91 1.717 -26.971 -5.985 701 2HG GLU 91 2HG GLU 91 3.430 -26.555 -5.871 702 1H SER 1 1H SER 1 -11.255 -0.944 -14.600 703 2H SER 1 2H SER 1 -12.121 -1.662 -13.390 704 3H SER 1 3H SER 1 -10.934 -0.593 -13.025 705 HA SER 1 HA SER 1 -10.257 -2.861 -12.602 706 1HB SER 1 1HB SER 1 -10.774 -3.096 -15.551 707 2HB SER 1 2HB SER 1 -9.841 -4.298 -14.622 708 HG SER 1 HG SER 1 -12.377 -3.536 -13.627 709 H GLU 2 H GLU 2 -9.370 -0.044 -13.877 710 HA GLU 2 HA GLU 2 -6.720 -0.289 -14.797 711 1HB GLU 2 1HB GLU 2 -8.059 1.771 -12.981 712 2HB GLU 2 2HB GLU 2 -6.411 1.922 -13.595 713 1HG GLU 2 1HG GLU 2 -7.895 3.231 -14.968 714 2HG GLU 2 2HG GLU 2 -7.209 1.904 -15.913 715 H LEU 3 H LEU 3 -7.972 -0.202 -11.407 716 HA LEU 3 HA LEU 3 -5.453 -0.259 -10.128 717 1HB LEU 3 1HB LEU 3 -7.956 -1.589 -9.092 718 2HB LEU 3 2HB LEU 3 -6.513 -1.139 -8.172 719 HG LEU 3 HG LEU 3 -8.471 0.790 -9.476 720 1HD1 LEU 3 1HD1 LEU 3 -8.865 1.511 -7.205 721 2HD1 LEU 3 2HD1 LEU 3 -9.093 -0.246 -7.250 722 3HD1 LEU 3 3HD1 LEU 3 -7.600 0.429 -6.580 723 1HD2 LEU 3 1HD2 LEU 3 -6.325 1.817 -9.809 724 2HD2 LEU 3 2HD2 LEU 3 -7.062 2.563 -8.385 725 3HD2 LEU 3 3HD2 LEU 3 -5.808 1.337 -8.171 726 H GLU 4 H GLU 4 -7.230 -2.963 -11.620 727 HA GLU 4 HA GLU 4 -5.774 -5.106 -10.451 728 1HB GLU 4 1HB GLU 4 -6.693 -4.975 -13.343 729 2HB GLU 4 2HB GLU 4 -6.435 -6.420 -12.369 730 1HG GLU 4 1HG GLU 4 -8.620 -4.350 -11.849 731 2HG GLU 4 2HG GLU 4 -8.835 -5.817 -12.769 732 H LYS 5 H LYS 5 -4.948 -2.853 -13.044 733 HA LYS 5 HA LYS 5 -2.715 -4.391 -14.079 734 1HB LYS 5 1HB LYS 5 -3.229 -1.430 -14.444 735 2HB LYS 5 2HB LYS 5 -2.293 -2.522 -15.468 736 1HG LYS 5 1HG LYS 5 -5.319 -2.498 -15.063 737 2HG LYS 5 2HG LYS 5 -4.428 -2.063 -16.515 738 1HD LYS 5 1HD LYS 5 -3.633 -4.395 -16.756 739 2HD LYS 5 2HD LYS 5 -4.523 -4.882 -15.305 740 1HE LYS 5 1HE LYS 5 -5.858 -3.647 -17.756 741 2HE LYS 5 2HE LYS 5 -5.698 -5.388 -17.483 742 1HZ LYS 5 1HZ LYS 5 -7.091 -3.560 -15.647 743 2HZ LYS 5 2HZ LYS 5 -7.808 -4.552 -16.754 744 3HZ LYS 5 3HZ LYS 5 -6.954 -5.191 -15.507 745 H ALA 6 H ALA 6 -3.110 -1.547 -11.983 746 HA ALA 6 HA ALA 6 -0.415 -1.128 -11.246 747 1HB ALA 6 1HB ALA 6 -1.391 -0.044 -9.220 748 2HB ALA 6 2HB ALA 6 -2.241 0.437 -10.700 749 3HB ALA 6 3HB ALA 6 -2.961 -0.748 -9.597 750 H VAL 7 H VAL 7 -2.921 -3.161 -9.708 751 HA VAL 7 HA VAL 7 -1.338 -4.218 -7.632 752 HB VAL 7 HB VAL 7 -3.868 -5.079 -9.057 753 1HG1 VAL 7 1HG1 VAL 7 -2.946 -7.184 -8.324 754 2HG1 VAL 7 2HG1 VAL 7 -2.617 -6.520 -6.705 755 3HG1 VAL 7 3HG1 VAL 7 -4.288 -6.702 -7.277 756 1HG2 VAL 7 1HG2 VAL 7 -4.918 -4.381 -6.964 757 2HG2 VAL 7 2HG2 VAL 7 -3.331 -4.122 -6.211 758 3HG2 VAL 7 3HG2 VAL 7 -3.871 -3.068 -7.525 759 H VAL 8 H VAL 8 -2.069 -5.808 -10.861 760 HA VAL 8 HA VAL 8 -0.420 -8.023 -10.217 761 HB VAL 8 HB VAL 8 -0.369 -8.661 -12.508 762 1HG1 VAL 8 1HG1 VAL 8 -2.778 -8.992 -12.808 763 2HG1 VAL 8 2HG1 VAL 8 -2.279 -9.257 -11.130 764 3HG1 VAL 8 3HG1 VAL 8 -3.122 -7.765 -11.577 765 1HG2 VAL 8 1HG2 VAL 8 -1.615 -7.394 -14.240 766 2HG2 VAL 8 2HG2 VAL 8 -1.717 -6.032 -13.112 767 3HG2 VAL 8 3HG2 VAL 8 -0.141 -6.572 -13.708 768 H ALA 9 H ALA 9 0.389 -4.895 -11.813 769 HA ALA 9 HA ALA 9 3.106 -5.517 -12.371 770 1HB ALA 9 1HB ALA 9 1.996 -3.510 -13.233 771 2HB ALA 9 2HB ALA 9 1.866 -2.843 -11.592 772 3HB ALA 9 3HB ALA 9 3.462 -3.095 -12.321 773 H LEU 10 H LEU 10 1.586 -4.174 -9.386 774 HA LEU 10 HA LEU 10 3.978 -3.716 -7.985 775 1HB LEU 10 1HB LEU 10 1.655 -2.825 -7.580 776 2HB LEU 10 2HB LEU 10 1.197 -4.392 -6.906 777 HG LEU 10 HG LEU 10 2.753 -4.044 -5.039 778 1HD1 LEU 10 1HD1 LEU 10 3.841 -1.780 -4.791 779 2HD1 LEU 10 2HD1 LEU 10 4.541 -2.755 -6.084 780 3HD1 LEU 10 3HD1 LEU 10 3.412 -1.434 -6.479 781 1HD2 LEU 10 1HD2 LEU 10 0.975 -1.631 -5.669 782 2HD2 LEU 10 2HD2 LEU 10 0.450 -3.143 -4.904 783 3HD2 LEU 10 3HD2 LEU 10 1.575 -2.053 -4.062 784 H ILE 11 H ILE 11 1.853 -6.636 -7.947 785 HA ILE 11 HA ILE 11 3.679 -8.022 -6.153 786 HB ILE 11 HB ILE 11 2.512 -10.067 -6.643 787 1HG1 ILE 11 1HG1 ILE 11 0.998 -8.456 -8.684 788 2HG1 ILE 11 2HG1 ILE 11 2.024 -9.867 -9.026 789 1HG2 ILE 11 1HG2 ILE 11 0.593 -7.739 -6.299 790 2HG2 ILE 11 2HG2 ILE 11 0.341 -9.403 -5.727 791 3HG2 ILE 11 3HG2 ILE 11 1.628 -8.437 -5.034 792 1HD1 ILE 11 1HD1 ILE 11 -0.213 -10.640 -9.140 793 2HD1 ILE 11 2HD1 ILE 11 0.433 -11.245 -7.598 794 3HD1 ILE 11 3HD1 ILE 11 -0.675 -9.851 -7.634 795 H ASP 12 H ASP 12 3.281 -8.063 -9.748 796 HA ASP 12 HA ASP 12 5.121 -10.142 -10.152 797 1HB ASP 12 1HB ASP 12 3.494 -9.448 -11.832 798 2HB ASP 12 2HB ASP 12 4.329 -7.897 -12.043 799 H VAL 13 H VAL 13 5.690 -6.598 -10.336 800 HA VAL 13 HA VAL 13 8.432 -6.739 -11.133 801 HB VAL 13 HB VAL 13 6.904 -4.633 -9.526 802 1HG1 VAL 13 1HG1 VAL 13 9.680 -4.469 -10.776 803 2HG1 VAL 13 2HG1 VAL 13 8.753 -3.090 -10.154 804 3HG1 VAL 13 3HG1 VAL 13 9.293 -4.355 -9.046 805 1HG2 VAL 13 1HG2 VAL 13 6.839 -3.420 -11.653 806 2HG2 VAL 13 2HG2 VAL 13 7.831 -4.662 -12.444 807 3HG2 VAL 13 3HG2 VAL 13 6.179 -5.037 -11.943 808 H PHE 14 H PHE 14 6.905 -6.450 -7.898 809 HA PHE 14 HA PHE 14 9.245 -6.557 -6.349 810 1HB PHE 14 1HB PHE 14 7.001 -6.028 -5.470 811 2HB PHE 14 2HB PHE 14 6.482 -7.682 -5.748 812 HD1 PHE 14 HD1 PHE 14 8.425 -5.521 -3.505 813 HD2 PHE 14 HD2 PHE 14 7.509 -9.615 -4.512 814 HE1 PHE 14 HE1 PHE 14 9.197 -6.272 -1.260 815 HE2 PHE 14 HE2 PHE 14 8.514 -10.353 -2.409 816 HZ PHE 14 HZ PHE 14 9.193 -8.682 -0.682 817 H HIS 15 H HIS 15 7.161 -9.286 -7.457 818 HA HIS 15 HA HIS 15 8.650 -11.373 -6.301 819 1HB HIS 15 1HB HIS 15 6.899 -11.291 -8.783 820 2HB HIS 15 2HB HIS 15 7.650 -12.765 -8.181 821 HD1 HIS 15 HD1 HIS 15 7.089 -12.860 -5.199 822 HD2 HIS 15 HD2 HIS 15 4.382 -11.486 -8.118 823 HE1 HIS 15 HE1 HIS 15 4.741 -13.373 -4.337 824 H GLN 16 H GLN 16 8.985 -9.929 -9.600 825 HA GLN 16 HA GLN 16 10.984 -11.694 -10.511 826 1HB GLN 16 1HB GLN 16 9.773 -9.989 -11.895 827 2HB GLN 16 2HB GLN 16 10.715 -8.717 -11.106 828 1HG GLN 16 1HG GLN 16 12.819 -10.076 -11.949 829 2HG GLN 16 2HG GLN 16 11.665 -10.872 -13.022 830 1HE2 GLN 16 1HE2 GLN 16 9.972 -8.600 -13.614 831 2HE2 GLN 16 2HE2 GLN 16 10.956 -7.462 -14.517 832 H TYR 17 H TYR 17 11.356 -8.521 -8.838 833 HA TYR 17 HA TYR 17 14.228 -8.624 -8.790 834 1HB TYR 17 1HB TYR 17 12.134 -7.013 -7.335 835 2HB TYR 17 2HB TYR 17 13.819 -6.912 -6.873 836 HD1 TYR 17 HD1 TYR 17 11.798 -6.778 -10.091 837 HD2 TYR 17 HD2 TYR 17 15.187 -5.294 -7.879 838 HE1 TYR 17 HE1 TYR 17 12.016 -4.911 -11.682 839 HE2 TYR 17 HE2 TYR 17 15.412 -3.441 -9.513 840 HH TYR 17 HH TYR 17 14.472 -2.343 -11.293 841 H SER 18 H SER 18 11.817 -9.315 -6.267 842 HA SER 18 HA SER 18 13.485 -10.354 -4.241 843 1HB SER 18 1HB SER 18 11.128 -9.720 -3.934 844 2HB SER 18 2HB SER 18 10.617 -11.070 -4.959 845 HG SER 18 HG SER 18 12.223 -11.403 -2.648 846 H GLY 19 H GLY 19 12.461 -11.861 -7.288 847 1HA GLY 19 1HA GLY 19 13.094 -14.564 -6.593 848 2HA GLY 19 2HA GLY 19 12.996 -13.852 -8.216 849 H ARG 20 H ARG 20 15.078 -11.776 -7.723 850 HA ARG 20 HA ARG 20 17.194 -13.529 -8.653 851 1HB ARG 20 1HB ARG 20 17.638 -10.599 -8.138 852 2HB ARG 20 2HB ARG 20 18.346 -11.673 -9.346 853 1HG ARG 20 1HG ARG 20 15.855 -11.824 -10.268 854 2HG ARG 20 2HG ARG 20 15.620 -10.381 -9.271 855 1HD ARG 20 1HD ARG 20 17.785 -9.490 -10.494 856 2HD ARG 20 2HD ARG 20 17.421 -10.749 -11.663 857 HE ARG 20 HE ARG 20 15.474 -9.638 -12.334 858 1HH1 ARG 20 1HH1 ARG 20 16.798 -7.977 -9.474 859 2HH1 ARG 20 2HH1 ARG 20 16.379 -6.395 -10.055 860 1HH2 ARG 20 1HH2 ARG 20 14.436 -7.655 -12.776 861 2HH2 ARG 20 2HH2 ARG 20 14.775 -6.251 -11.794 862 H GLU 21 H GLU 21 16.907 -11.271 -5.872 863 HA GLU 21 HA GLU 21 18.550 -13.153 -4.292 864 1HB GLU 21 1HB GLU 21 19.133 -10.179 -4.303 865 2HB GLU 21 2HB GLU 21 19.741 -11.365 -3.154 866 1HG GLU 21 1HG GLU 21 20.920 -12.543 -4.987 867 2HG GLU 21 2HG GLU 21 20.294 -11.360 -6.149 868 H GLY 22 H GLY 22 16.933 -13.887 -3.067 869 1HA GLY 22 1HA GLY 22 15.660 -12.712 -0.965 870 2HA GLY 22 2HA GLY 22 14.723 -12.212 -2.393 871 H ASP 23 H ASP 23 12.966 -13.583 -1.699 872 HA ASP 23 HA ASP 23 13.269 -16.362 -2.695 873 1HB ASP 23 1HB ASP 23 12.146 -17.305 -0.757 874 2HB ASP 23 2HB ASP 23 13.628 -16.491 -0.246 875 H LYS 24 H LYS 24 12.149 -14.070 -3.948 876 HA LYS 24 HA LYS 24 10.333 -13.439 -5.116 877 1HB LYS 24 1HB LYS 24 8.917 -15.944 -4.131 878 2HB LYS 24 2HB LYS 24 8.349 -14.853 -5.378 879 1HG LYS 24 1HG LYS 24 11.003 -16.328 -5.607 880 2HG LYS 24 2HG LYS 24 9.453 -16.984 -6.145 881 1HD LYS 24 1HD LYS 24 9.124 -14.996 -7.638 882 2HD LYS 24 2HD LYS 24 10.694 -14.372 -7.134 883 1HE LYS 24 1HE LYS 24 10.884 -15.482 -9.288 884 2HE LYS 24 2HE LYS 24 11.813 -16.378 -8.075 885 1HZ LYS 24 1HZ LYS 24 10.058 -17.952 -7.941 886 2HZ LYS 24 2HZ LYS 24 9.088 -17.076 -8.936 887 3HZ LYS 24 3HZ LYS 24 10.465 -17.772 -9.527 888 H HIS 25 H HIS 25 9.752 -14.208 -1.715 889 HA HIS 25 HA HIS 25 7.526 -12.238 -1.594 890 1HB HIS 25 1HB HIS 25 8.396 -14.437 0.294 891 2HB HIS 25 2HB HIS 25 7.001 -13.370 0.503 892 HD1 HIS 25 HD1 HIS 25 5.135 -13.543 -1.621 893 HD2 HIS 25 HD2 HIS 25 7.959 -16.626 -1.144 894 HE1 HIS 25 HE1 HIS 25 4.260 -15.555 -2.946 895 H LYS 26 H LYS 26 10.875 -12.238 -1.066 896 HA LYS 26 HA LYS 26 10.674 -9.973 0.790 897 1HB LYS 26 1HB LYS 26 12.633 -12.220 1.298 898 2HB LYS 26 2HB LYS 26 12.320 -10.778 2.282 899 1HG LYS 26 1HG LYS 26 10.124 -11.677 2.952 900 2HG LYS 26 2HG LYS 26 10.383 -13.089 1.910 901 1HD LYS 26 1HD LYS 26 12.503 -13.588 3.186 902 2HD LYS 26 2HD LYS 26 12.125 -12.231 4.260 903 1HE LYS 26 1HE LYS 26 11.541 -14.406 5.238 904 2HE LYS 26 2HE LYS 26 10.110 -13.376 5.062 905 1HZ LYS 26 1HZ LYS 26 9.755 -15.659 4.370 906 2HZ LYS 26 2HZ LYS 26 9.498 -14.597 3.138 907 3HZ LYS 26 3HZ LYS 26 10.879 -15.492 3.170 908 H LEU 27 H LEU 27 12.211 -8.416 0.335 909 HA LEU 27 HA LEU 27 13.885 -8.815 -2.111 910 1HB LEU 27 1HB LEU 27 12.884 -6.449 -0.501 911 2HB LEU 27 2HB LEU 27 14.163 -6.237 -1.676 912 HG LEU 27 HG LEU 27 11.466 -7.417 -2.419 913 1HD1 LEU 27 1HD1 LEU 27 12.471 -4.540 -2.554 914 2HD1 LEU 27 2HD1 LEU 27 10.907 -5.107 -3.181 915 3HD1 LEU 27 3HD1 LEU 27 11.226 -5.120 -1.434 916 1HD2 LEU 27 1HD2 LEU 27 13.345 -7.768 -4.072 917 2HD2 LEU 27 2HD2 LEU 27 12.063 -6.712 -4.690 918 3HD2 LEU 27 3HD2 LEU 27 13.582 -6.006 -4.120 919 H LYS 28 H LYS 28 16.105 -9.328 -1.788 920 HA LYS 28 HA LYS 28 17.373 -8.614 0.738 921 1HB LYS 28 1HB LYS 28 17.968 -10.591 -0.559 922 2HB LYS 28 2HB LYS 28 18.609 -9.564 -1.857 923 1HG LYS 28 1HG LYS 28 20.431 -8.864 -0.593 924 2HG LYS 28 2HG LYS 28 19.643 -9.192 0.971 925 1HD LYS 28 1HD LYS 28 19.825 -11.518 0.773 926 2HD LYS 28 2HD LYS 28 20.320 -11.455 -0.923 927 1HE LYS 28 1HE LYS 28 21.974 -10.347 1.394 928 2HE LYS 28 2HE LYS 28 22.223 -11.918 0.615 929 1HZ LYS 28 1HZ LYS 28 23.686 -10.319 -0.302 930 2HZ LYS 28 2HZ LYS 28 22.600 -10.766 -1.459 931 3HZ LYS 28 3HZ LYS 28 22.453 -9.309 -0.712 932 H LYS 29 H LYS 29 19.230 -7.054 0.847 933 HA LYS 29 HA LYS 29 18.487 -4.499 0.058 934 1HB LYS 29 1HB LYS 29 20.643 -3.725 0.777 935 2HB LYS 29 2HB LYS 29 20.062 -4.944 1.895 936 1HG LYS 29 1HG LYS 29 21.549 -6.641 0.786 937 2HG LYS 29 2HG LYS 29 22.188 -5.348 -0.255 938 1HD LYS 29 1HD LYS 29 22.827 -4.061 1.810 939 2HD LYS 29 2HD LYS 29 22.366 -5.461 2.788 940 1HE LYS 29 1HE LYS 29 24.516 -5.390 0.606 941 2HE LYS 29 2HE LYS 29 24.805 -5.387 2.348 942 1HZ LYS 29 1HZ LYS 29 23.765 -7.543 2.461 943 2HZ LYS 29 2HZ LYS 29 23.538 -7.554 0.826 944 3HZ LYS 29 3HZ LYS 29 25.064 -7.554 1.447 945 H SER 30 H SER 30 20.700 -6.721 -1.677 946 HA SER 30 HA SER 30 21.672 -5.070 -3.612 947 1HB SER 30 1HB SER 30 20.652 -7.825 -4.338 948 2HB SER 30 2HB SER 30 22.228 -7.095 -4.663 949 HG SER 30 HG SER 30 22.225 -8.750 -3.008 950 H GLU 31 H GLU 31 18.438 -6.612 -3.392 951 HA GLU 31 HA GLU 31 17.638 -5.764 -6.085 952 1HB GLU 31 1HB GLU 31 15.987 -7.098 -3.893 953 2HB GLU 31 2HB GLU 31 15.606 -6.957 -5.614 954 1HG GLU 31 1HG GLU 31 17.858 -8.520 -4.349 955 2HG GLU 31 2HG GLU 31 16.446 -9.214 -5.128 956 H LEU 32 H LEU 32 16.768 -5.114 -2.667 957 HA LEU 32 HA LEU 32 14.707 -3.284 -3.163 958 1HB LEU 32 1HB LEU 32 15.224 -4.254 -0.965 959 2HB LEU 32 2HB LEU 32 16.717 -3.307 -0.865 960 HG LEU 32 HG LEU 32 14.761 -2.520 0.517 961 1HD1 LEU 32 1HD1 LEU 32 15.153 -0.202 0.277 962 2HD1 LEU 32 2HD1 LEU 32 16.676 -1.067 0.036 963 3HD1 LEU 32 3HD1 LEU 32 15.805 -0.379 -1.349 964 1HD2 LEU 32 1HD2 LEU 32 12.929 -2.895 -0.972 965 2HD2 LEU 32 2HD2 LEU 32 12.998 -1.195 -0.491 966 3HD2 LEU 32 3HD2 LEU 32 13.531 -1.675 -2.111 967 H LYS 33 H LYS 33 18.225 -2.734 -2.853 968 HA LYS 33 HA LYS 33 18.356 0.038 -2.999 969 1HB LYS 33 1HB LYS 33 20.228 -1.425 -2.555 970 2HB LYS 33 2HB LYS 33 20.136 -2.184 -4.121 971 1HG LYS 33 1HG LYS 33 20.855 -0.087 -5.238 972 2HG LYS 33 2HG LYS 33 20.783 0.767 -3.693 973 1HD LYS 33 1HD LYS 33 22.513 -0.971 -2.839 974 2HD LYS 33 2HD LYS 33 22.658 -1.491 -4.520 975 1HE LYS 33 1HE LYS 33 24.433 0.091 -3.984 976 2HE LYS 33 2HE LYS 33 23.337 0.853 -5.148 977 1HZ LYS 33 1HZ LYS 33 22.391 2.120 -3.408 978 2HZ LYS 33 2HZ LYS 33 23.170 1.251 -2.240 979 3HZ LYS 33 3HZ LYS 33 24.024 2.235 -3.239 980 H GLU 34 H GLU 34 18.618 -2.262 -5.774 981 HA GLU 34 HA GLU 34 18.765 -0.051 -7.610 982 1HB GLU 34 1HB GLU 34 18.638 -1.791 -9.391 983 2HB GLU 34 2HB GLU 34 19.894 -2.127 -8.191 984 1HG GLU 34 1HG GLU 34 18.523 -3.831 -7.137 985 2HG GLU 34 2HG GLU 34 17.131 -3.431 -8.122 986 H LEU 35 H LEU 35 16.199 -2.191 -6.430 987 HA LEU 35 HA LEU 35 14.198 -1.577 -8.303 988 1HB LEU 35 1HB LEU 35 14.082 -3.425 -6.706 989 2HB LEU 35 2HB LEU 35 14.081 -2.304 -5.352 990 HG LEU 35 HG LEU 35 11.838 -1.499 -6.011 991 1HD1 LEU 35 1HD1 LEU 35 12.068 -3.538 -8.278 992 2HD1 LEU 35 2HD1 LEU 35 10.597 -2.662 -7.842 993 3HD1 LEU 35 3HD1 LEU 35 11.984 -1.772 -8.473 994 1HD2 LEU 35 1HD2 LEU 35 12.032 -4.529 -5.923 995 2HD2 LEU 35 2HD2 LEU 35 12.023 -3.418 -4.532 996 3HD2 LEU 35 3HD2 LEU 35 10.584 -3.564 -5.560 997 H ILE 36 H ILE 36 14.872 -0.049 -5.080 998 HA ILE 36 HA ILE 36 12.926 2.019 -5.385 999 HB ILE 36 HB ILE 36 15.537 1.989 -3.825 1000 1HG1 ILE 36 1HG1 ILE 36 13.853 0.245 -3.167 1001 2HG1 ILE 36 2HG1 ILE 36 14.333 1.376 -1.902 1002 1HG2 ILE 36 1HG2 ILE 36 14.937 4.293 -4.055 1003 2HG2 ILE 36 2HG2 ILE 36 13.223 3.950 -3.774 1004 3HG2 ILE 36 3HG2 ILE 36 14.384 3.787 -2.448 1005 1HD1 ILE 36 1HD1 ILE 36 11.983 0.813 -1.806 1006 2HD1 ILE 36 2HD1 ILE 36 12.180 2.544 -2.134 1007 3HD1 ILE 36 3HD1 ILE 36 11.714 1.433 -3.450 1008 H ASN 37 H ASN 37 16.473 2.047 -6.013 1009 HA ASN 37 HA ASN 37 16.726 4.662 -6.956 1010 1HB ASN 37 1HB ASN 37 18.200 2.103 -7.635 1011 2HB ASN 37 2HB ASN 37 18.535 3.586 -8.540 1012 1HD2 ASN 37 2HD2 ASN 37 18.575 2.248 -5.224 1013 2HD2 ASN 37 1HD2 ASN 37 19.848 3.335 -4.669 1014 H ASN 38 H ASN 38 15.801 1.781 -8.882 1015 HA ASN 38 HA ASN 38 15.748 3.348 -11.353 1016 1HB ASN 38 1HB ASN 38 16.574 1.022 -11.199 1017 2HB ASN 38 2HB ASN 38 14.950 0.468 -10.744 1018 1HD2 ASN 38 2HD2 ASN 38 17.044 0.680 -13.329 1019 2HD2 ASN 38 1HD2 ASN 38 15.848 0.678 -14.614 1020 H GLU 39 H GLU 39 13.287 1.461 -9.457 1021 HA GLU 39 HA GLU 39 11.210 2.339 -11.299 1022 1HB GLU 39 1HB GLU 39 11.236 0.564 -8.837 1023 2HB GLU 39 2HB GLU 39 9.751 1.039 -9.635 1024 1HG GLU 39 1HG GLU 39 12.008 -0.243 -11.225 1025 2HG GLU 39 2HG GLU 39 10.786 -1.201 -10.373 1026 H LEU 40 H LEU 40 12.370 3.433 -8.125 1027 HA LEU 40 HA LEU 40 9.959 5.161 -7.900 1028 1HB LEU 40 1HB LEU 40 10.721 3.483 -6.070 1029 2HB LEU 40 2HB LEU 40 11.978 4.669 -5.724 1030 HG LEU 40 HG LEU 40 10.264 6.327 -5.152 1031 1HD1 LEU 40 1HD1 LEU 40 8.349 5.757 -6.563 1032 2HD1 LEU 40 2HD1 LEU 40 8.268 4.125 -5.855 1033 3HD1 LEU 40 3HD1 LEU 40 7.876 5.553 -4.879 1034 1HD2 LEU 40 1HD2 LEU 40 11.091 4.729 -3.445 1035 2HD2 LEU 40 2HD2 LEU 40 9.392 5.125 -3.133 1036 3HD2 LEU 40 3HD2 LEU 40 9.818 3.583 -3.894 1037 H SER 41 H SER 41 12.439 5.488 -9.678 1038 HA SER 41 HA SER 41 14.267 7.350 -8.707 1039 1HB SER 41 1HB SER 41 14.505 7.896 -11.206 1040 2HB SER 41 2HB SER 41 14.712 6.202 -10.776 1041 HG SER 41 HG SER 41 12.954 5.668 -11.778 1042 H HIS 42 H HIS 42 11.069 7.917 -10.160 1043 HA HIS 42 HA HIS 42 11.603 10.735 -10.668 1044 1HB HIS 42 1HB HIS 42 8.919 9.313 -10.717 1045 2HB HIS 42 2HB HIS 42 9.344 10.851 -11.447 1046 HD1 HIS 42 HD1 HIS 42 12.005 8.260 -12.190 1047 HD2 HIS 42 HD2 HIS 42 8.220 9.408 -13.643 1048 HE1 HIS 42 HE1 HIS 42 11.831 7.353 -14.531 1049 H PHE 43 H PHE 43 9.884 8.809 -8.244 1050 HA PHE 43 HA PHE 43 8.917 11.089 -6.687 1051 1HB PHE 43 1HB PHE 43 9.108 8.096 -6.206 1052 2HB PHE 43 2HB PHE 43 8.702 9.227 -4.924 1053 HD1 PHE 43 HD1 PHE 43 6.575 8.432 -4.355 1054 HD2 PHE 43 HD2 PHE 43 7.417 9.492 -8.459 1055 HE1 PHE 43 HE1 PHE 43 4.175 8.201 -4.905 1056 HE2 PHE 43 HE2 PHE 43 5.024 9.250 -9.003 1057 HZ PHE 43 HZ PHE 43 3.402 8.589 -7.253 1058 H LEU 44 H LEU 44 11.402 8.532 -6.007 1059 HA LEU 44 HA LEU 44 12.473 10.276 -3.855 1060 1HB LEU 44 1HB LEU 44 12.447 7.297 -4.358 1061 2HB LEU 44 2HB LEU 44 13.826 8.004 -3.520 1062 HG LEU 44 HG LEU 44 12.305 9.116 -1.908 1063 1HD1 LEU 44 1HD1 LEU 44 10.179 7.311 -3.121 1064 2HD1 LEU 44 2HD1 LEU 44 10.018 8.290 -1.644 1065 3HD1 LEU 44 3HD1 LEU 44 10.220 9.085 -3.205 1066 1HD2 LEU 44 1HD2 LEU 44 13.494 7.079 -1.314 1067 2HD2 LEU 44 2HD2 LEU 44 11.880 7.074 -0.585 1068 3HD2 LEU 44 3HD2 LEU 44 12.212 6.083 -2.022 1069 H GLU 45 H GLU 45 14.484 10.981 -3.803 1070 HA GLU 45 HA GLU 45 16.135 11.226 -6.113 1071 1HB GLU 45 1HB GLU 45 16.867 11.383 -3.135 1072 2HB GLU 45 2HB GLU 45 17.820 11.975 -4.491 1073 1HG GLU 45 1HG GLU 45 16.835 13.920 -3.741 1074 2HG GLU 45 2HG GLU 45 15.762 13.471 -5.071 1075 H GLU 46 H GLU 46 18.139 10.044 -6.586 1076 HA GLU 46 HA GLU 46 17.939 7.272 -6.340 1077 1HB GLU 46 1HB GLU 46 19.998 7.115 -7.444 1078 2HB GLU 46 2HB GLU 46 19.151 8.520 -8.086 1079 1HG GLU 46 1HG GLU 46 21.130 9.471 -7.727 1080 2HG GLU 46 2HG GLU 46 20.492 9.764 -6.110 1081 H ILE 47 H ILE 47 19.603 5.880 -5.371 1082 HA ILE 47 HA ILE 47 20.533 6.788 -2.710 1083 HB ILE 47 HB ILE 47 19.057 4.167 -2.670 1084 1HG1 ILE 47 1HG1 ILE 47 17.745 6.874 -2.677 1085 2HG1 ILE 47 2HG1 ILE 47 17.367 5.469 -3.693 1086 1HG2 ILE 47 1HG2 ILE 47 19.486 6.449 -0.681 1087 2HG2 ILE 47 2HG2 ILE 47 20.519 5.016 -0.810 1088 3HG2 ILE 47 3HG2 ILE 47 18.835 4.854 -0.299 1089 1HD1 ILE 47 1HD1 ILE 47 16.618 4.262 -1.625 1090 2HD1 ILE 47 2HD1 ILE 47 16.837 5.779 -0.710 1091 3HD1 ILE 47 3HD1 ILE 47 15.668 5.716 -2.028 1092 H LYS 48 H LYS 48 22.466 6.731 -3.956 1093 HA LYS 48 HA LYS 48 23.799 4.256 -4.532 1094 1HB LYS 48 1HB LYS 48 25.828 5.604 -4.522 1095 2HB LYS 48 2HB LYS 48 24.529 6.416 -5.402 1096 1HG LYS 48 1HG LYS 48 24.095 7.805 -3.288 1097 2HG LYS 48 2HG LYS 48 25.555 7.072 -2.600 1098 1HD LYS 48 1HD LYS 48 26.901 7.982 -4.452 1099 2HD LYS 48 2HD LYS 48 25.437 8.650 -5.209 1100 1HE LYS 48 1HE LYS 48 25.037 10.086 -3.234 1101 2HE LYS 48 2HE LYS 48 26.470 9.412 -2.433 1102 1HZ LYS 48 1HZ LYS 48 27.802 10.301 -4.204 1103 2HZ LYS 48 2HZ LYS 48 26.935 11.496 -3.472 1104 3HZ LYS 48 3HZ LYS 48 26.472 10.928 -4.948 1105 H GLU 49 H GLU 49 23.095 5.986 -1.549 1106 HA GLU 49 HA GLU 49 25.243 4.923 0.018 1107 1HB GLU 49 1HB GLU 49 22.613 6.193 0.893 1108 2HB GLU 49 2HB GLU 49 24.044 5.909 1.897 1109 1HG GLU 49 1HG GLU 49 25.367 7.345 0.266 1110 2HG GLU 49 2HG GLU 49 23.829 7.799 -0.488 1111 H GLN 50 H GLN 50 25.046 2.668 -0.589 1112 HA GLN 50 HA GLN 50 23.051 0.900 -0.070 1113 1HB GLN 50 1HB GLN 50 25.369 0.439 -0.981 1114 2HB GLN 50 2HB GLN 50 25.922 0.297 0.699 1115 1HG GLN 50 1HG GLN 50 24.150 -1.509 1.025 1116 2HG GLN 50 2HG GLN 50 23.802 -1.417 -0.705 1117 1HE2 GLN 50 1HE2 GLN 50 26.119 -1.434 -2.036 1118 2HE2 GLN 50 2HE2 GLN 50 27.114 -2.796 -1.551 1119 H GLU 51 H GLU 51 25.102 2.374 2.468 1120 HA GLU 51 HA GLU 51 24.197 0.782 4.648 1121 1HB GLU 51 1HB GLU 51 24.988 3.733 4.588 1122 2HB GLU 51 2HB GLU 51 24.787 2.745 6.042 1123 1HG GLU 51 1HG GLU 51 26.568 1.201 5.262 1124 2HG GLU 51 2HG GLU 51 26.815 2.196 3.819 1125 H VAL 52 H VAL 52 22.722 3.622 3.018 1126 HA VAL 52 HA VAL 52 20.569 3.768 4.968 1127 HB VAL 52 HB VAL 52 20.836 5.209 2.292 1128 1HG1 VAL 52 1HG1 VAL 52 18.928 5.488 4.658 1129 2HG1 VAL 52 2HG1 VAL 52 19.145 6.723 3.416 1130 3HG1 VAL 52 3HG1 VAL 52 18.509 5.139 2.964 1131 1HG2 VAL 52 1HG2 VAL 52 22.645 5.821 3.902 1132 2HG2 VAL 52 2HG2 VAL 52 21.462 7.126 3.756 1133 3HG2 VAL 52 3HG2 VAL 52 21.423 6.057 5.169 1134 H VAL 53 H VAL 53 20.988 2.397 1.591 1135 HA VAL 53 HA VAL 53 18.277 1.724 1.360 1136 HB VAL 53 HB VAL 53 18.704 0.451 -0.394 1137 1HG1 VAL 53 1HG1 VAL 53 21.133 2.231 -0.463 1138 2HG1 VAL 53 2HG1 VAL 53 20.147 1.653 -1.809 1139 3HG1 VAL 53 3HG1 VAL 53 19.444 2.760 -0.639 1140 1HG2 VAL 53 1HG2 VAL 53 19.990 -1.375 0.030 1141 2HG2 VAL 53 2HG2 VAL 53 21.127 -0.412 -0.941 1142 3HG2 VAL 53 3HG2 VAL 53 21.285 -0.463 0.791 1143 H ASP 54 H ASP 54 20.977 -0.107 2.839 1144 HA ASP 54 HA ASP 54 19.463 -2.318 3.772 1145 1HB ASP 54 1HB ASP 54 21.929 -2.227 3.797 1146 2HB ASP 54 2HB ASP 54 21.884 -0.982 5.055 1147 H LYS 55 H LYS 55 20.177 0.883 5.361 1148 HA LYS 55 HA LYS 55 18.863 0.256 7.716 1149 1HB LYS 55 1HB LYS 55 20.317 2.238 7.443 1150 2HB LYS 55 2HB LYS 55 19.081 3.000 6.425 1151 1HG LYS 55 1HG LYS 55 19.021 3.922 8.668 1152 2HG LYS 55 2HG LYS 55 17.506 3.095 8.308 1153 1HD LYS 55 1HD LYS 55 18.330 1.094 9.600 1154 2HD LYS 55 2HD LYS 55 19.830 1.982 9.943 1155 1HE LYS 55 1HE LYS 55 18.431 3.709 11.136 1156 2HE LYS 55 2HE LYS 55 16.980 2.756 10.748 1157 1HZ LYS 55 1HZ LYS 55 17.969 0.929 11.979 1158 2HZ LYS 55 2HZ LYS 55 19.241 1.881 12.402 1159 3HZ LYS 55 3HZ LYS 55 17.726 2.259 12.929 1160 H VAL 56 H VAL 56 17.420 1.792 4.767 1161 HA VAL 56 HA VAL 56 14.843 2.049 6.010 1162 HB VAL 56 HB VAL 56 13.880 2.480 3.896 1163 1HG1 VAL 56 1HG1 VAL 56 16.596 3.860 4.100 1164 2HG1 VAL 56 2HG1 VAL 56 15.165 4.464 3.260 1165 3HG1 VAL 56 3HG1 VAL 56 15.142 4.288 5.022 1166 1HG2 VAL 56 1HG2 VAL 56 15.136 2.488 1.793 1167 2HG2 VAL 56 2HG2 VAL 56 16.523 1.773 2.626 1168 3HG2 VAL 56 3HG2 VAL 56 15.015 0.849 2.446 1169 H MET 57 H MET 57 16.341 -0.580 4.003 1170 HA MET 57 HA MET 57 14.093 -2.259 3.979 1171 1HB MET 57 1HB MET 57 15.446 -3.633 2.953 1172 2HB MET 57 2HB MET 57 16.772 -2.516 3.197 1173 1HG MET 57 1HG MET 57 17.369 -3.722 5.321 1174 2HG MET 57 2HG MET 57 16.040 -4.843 5.013 1175 1HE MET 57 1HE MET 57 16.571 -5.221 1.643 1176 2HE MET 57 2HE MET 57 17.229 -6.827 2.048 1177 3HE MET 57 3HE MET 57 15.848 -6.190 2.945 1178 H GLU 58 H GLU 58 16.615 -2.008 6.488 1179 HA GLU 58 HA GLU 58 15.623 -3.897 8.323 1180 1HB GLU 58 1HB GLU 58 17.854 -2.925 8.466 1181 2HB GLU 58 2HB GLU 58 17.187 -1.315 8.759 1182 1HG GLU 58 1HG GLU 58 16.207 -2.079 10.904 1183 2HG GLU 58 2HG GLU 58 16.843 -3.700 10.599 1184 H THR 59 H THR 59 15.010 -0.417 8.058 1185 HA THR 59 HA THR 59 13.309 -0.043 10.266 1186 HB THR 59 HB THR 59 13.332 1.342 7.550 1187 HG1 THR 59 HG1 THR 59 15.265 1.479 8.679 1188 1HG2 THR 59 1HG2 THR 59 11.998 2.251 10.105 1189 2HG2 THR 59 2HG2 THR 59 12.333 3.277 8.688 1190 3HG2 THR 59 3HG2 THR 59 11.227 1.914 8.529 1191 H LEU 60 H LEU 60 12.516 -1.150 6.933 1192 HA LEU 60 HA LEU 60 9.651 -1.296 7.590 1193 1HB LEU 60 1HB LEU 60 11.072 -2.450 5.164 1194 2HB LEU 60 2HB LEU 60 9.361 -2.112 5.353 1195 HG LEU 60 HG LEU 60 11.429 0.095 5.364 1196 1HD1 LEU 60 1HD1 LEU 60 11.431 -1.059 3.224 1197 2HD1 LEU 60 2HD1 LEU 60 9.664 -0.996 3.146 1198 3HD1 LEU 60 3HD1 LEU 60 10.624 0.506 3.071 1199 1HD2 LEU 60 1HD2 LEU 60 8.401 0.060 5.327 1200 2HD2 LEU 60 2HD2 LEU 60 9.468 0.681 6.605 1201 3HD2 LEU 60 3HD2 LEU 60 9.425 1.495 5.037 1202 H ASP 61 H ASP 61 12.306 -3.557 7.269 1203 HA ASP 61 HA ASP 61 10.929 -5.978 7.103 1204 1HB ASP 61 1HB ASP 61 13.241 -5.749 6.461 1205 2HB ASP 61 2HB ASP 61 13.701 -5.344 8.122 1206 H SER 62 H SER 62 9.245 -5.424 8.788 1207 HA SER 62 HA SER 62 9.240 -5.798 11.459 1208 1HB SER 62 1HB SER 62 7.101 -7.101 11.075 1209 2HB SER 62 2HB SER 62 7.223 -5.605 10.132 1210 HG SER 62 HG SER 62 7.567 -8.268 9.181 1211 H ASP 63 H ASP 63 9.756 -8.389 9.068 1212 HA ASP 63 HA ASP 63 9.618 -10.500 11.016 1213 1HB ASP 63 1HB ASP 63 10.608 -10.471 8.140 1214 2HB ASP 63 2HB ASP 63 10.425 -11.920 9.129 1215 H GLY 64 H GLY 64 12.193 -8.296 10.311 1216 1HA GLY 64 1HA GLY 64 14.432 -8.328 10.797 1217 2HA GLY 64 2HA GLY 64 14.019 -9.466 12.087 1218 H ASP 65 H ASP 65 13.692 -9.895 8.546 1219 HA ASP 65 HA ASP 65 15.319 -12.398 8.683 1220 1HB ASP 65 1HB ASP 65 12.954 -12.504 7.836 1221 2HB ASP 65 2HB ASP 65 13.399 -11.382 6.539 1222 H GLY 66 H GLY 66 15.664 -9.125 8.104 1223 1HA GLY 66 1HA GLY 66 17.304 -7.934 7.113 1224 2HA GLY 66 2HA GLY 66 17.995 -9.380 6.342 1225 H GLU 67 H GLU 67 16.255 -10.471 4.858 1226 HA GLU 67 HA GLU 67 15.849 -8.805 2.634 1227 1HB GLU 67 1HB GLU 67 14.300 -11.357 3.109 1228 2HB GLU 67 2HB GLU 67 14.839 -10.633 1.595 1229 1HG GLU 67 1HG GLU 67 17.249 -11.021 2.460 1230 2HG GLU 67 2HG GLU 67 16.501 -12.083 3.679 1231 H CYS 68 H CYS 68 14.151 -7.337 2.211 1232 HA CYS 68 HA CYS 68 12.300 -6.894 4.419 1233 1HB CYS 68 1HB CYS 68 13.448 -5.008 3.165 1234 2HB CYS 68 2HB CYS 68 12.355 -5.335 1.801 1235 HG CYS 68 HG CYS 68 11.674 -4.519 4.864 1236 H ASP 69 H ASP 69 10.211 -7.652 4.566 1237 HA ASP 69 HA ASP 69 9.376 -9.553 2.606 1238 1HB ASP 69 1HB ASP 69 7.630 -8.527 4.851 1239 2HB ASP 69 2HB ASP 69 7.657 -10.135 4.106 1240 H PHE 70 H PHE 70 7.497 -9.583 1.291 1241 HA PHE 70 HA PHE 70 6.807 -7.308 -0.056 1242 1HB PHE 70 1HB PHE 70 6.167 -9.569 -0.761 1243 2HB PHE 70 2HB PHE 70 4.914 -9.626 0.468 1244 HD1 PHE 70 HD1 PHE 70 2.674 -9.033 -0.311 1245 HD2 PHE 70 HD2 PHE 70 6.119 -7.367 -2.268 1246 HE1 PHE 70 HE1 PHE 70 1.216 -7.973 -1.996 1247 HE2 PHE 70 HE2 PHE 70 4.677 -6.436 -4.051 1248 HZ PHE 70 HZ PHE 70 2.231 -6.659 -3.906 1249 H GLN 71 H GLN 71 5.183 -8.457 2.907 1250 HA GLN 71 HA GLN 71 3.096 -6.517 3.031 1251 1HB GLN 71 1HB GLN 71 4.719 -7.725 5.319 1252 2HB GLN 71 2HB GLN 71 3.116 -6.991 5.453 1253 1HG GLN 71 1HG GLN 71 3.789 -9.561 3.933 1254 2HG GLN 71 2HG GLN 71 3.035 -9.439 5.516 1255 1HE2 GLN 71 1HE2 GLN 71 2.542 -8.340 2.105 1256 2HE2 GLN 71 2HE2 GLN 71 0.780 -8.445 2.189 1257 H GLU 72 H GLU 72 6.505 -6.253 3.926 1258 HA GLU 72 HA GLU 72 6.130 -3.657 5.280 1259 1HB GLU 72 1HB GLU 72 8.624 -5.248 4.645 1260 2HB GLU 72 2HB GLU 72 8.418 -3.906 5.791 1261 1HG GLU 72 1HG GLU 72 7.262 -6.701 6.032 1262 2HG GLU 72 2HG GLU 72 8.382 -5.895 7.092 1263 H PHE 73 H PHE 73 7.386 -4.906 2.219 1264 HA PHE 73 HA PHE 73 8.033 -2.371 1.046 1265 1HB PHE 73 1HB PHE 73 8.776 -4.276 -0.052 1266 2HB PHE 73 2HB PHE 73 7.218 -5.069 -0.002 1267 HD1 PHE 73 HD1 PHE 73 9.275 -2.559 -1.792 1268 HD2 PHE 73 HD2 PHE 73 5.477 -4.601 -1.663 1269 HE1 PHE 73 HE1 PHE 73 8.918 -2.055 -4.193 1270 HE2 PHE 73 HE2 PHE 73 5.105 -4.052 -4.045 1271 HZ PHE 73 HZ PHE 73 6.870 -2.874 -5.349 1272 H MET 74 H MET 74 4.913 -4.189 1.147 1273 HA MET 74 HA MET 74 3.385 -2.251 -0.241 1274 1HB MET 74 1HB MET 74 2.621 -4.423 1.735 1275 2HB MET 74 2HB MET 74 1.428 -3.372 0.982 1276 1HG MET 74 1HG MET 74 3.359 -5.182 -0.521 1277 2HG MET 74 2HG MET 74 1.665 -5.525 -0.204 1278 1HE MET 74 1HE MET 74 0.251 -2.667 -0.838 1279 2HE MET 74 2HE MET 74 -0.156 -2.941 -2.541 1280 3HE MET 74 3HE MET 74 -0.328 -4.267 -1.379 1281 H ALA 75 H ALA 75 3.981 -2.650 3.246 1282 HA ALA 75 HA ALA 75 2.425 -0.448 4.131 1283 1HB ALA 75 1HB ALA 75 5.055 -1.439 5.309 1284 2HB ALA 75 2HB ALA 75 3.832 -0.448 6.124 1285 3HB ALA 75 3HB ALA 75 3.447 -2.114 5.648 1286 H PHE 76 H PHE 76 5.807 -0.559 2.976 1287 HA PHE 76 HA PHE 76 6.393 2.228 3.341 1288 1HB PHE 76 1HB PHE 76 8.170 0.732 3.098 1289 2HB PHE 76 2HB PHE 76 7.561 0.051 1.610 1290 HD1 PHE 76 HD1 PHE 76 7.879 1.077 -0.528 1291 HD2 PHE 76 HD2 PHE 76 9.418 2.924 3.071 1292 HE1 PHE 76 HE1 PHE 76 9.292 2.560 -1.892 1293 HE2 PHE 76 HE2 PHE 76 10.773 4.460 1.679 1294 HZ PHE 76 HZ PHE 76 10.683 4.311 -0.812 1295 H VAL 77 H VAL 77 5.293 0.409 0.475 1296 HA VAL 77 HA VAL 77 4.899 2.539 -1.307 1297 HB VAL 77 HB VAL 77 3.466 -0.105 -0.897 1298 1HG1 VAL 77 1HG1 VAL 77 1.812 1.300 -2.023 1299 2HG1 VAL 77 2HG1 VAL 77 3.045 1.902 -3.157 1300 3HG1 VAL 77 3HG1 VAL 77 2.531 0.203 -3.204 1301 1HG2 VAL 77 1HG2 VAL 77 5.322 0.847 -3.124 1302 2HG2 VAL 77 2HG2 VAL 77 5.887 -0.058 -1.712 1303 3HG2 VAL 77 3HG2 VAL 77 4.744 -0.807 -2.832 1304 H ALA 78 H ALA 78 2.673 1.259 1.236 1305 HA ALA 78 HA ALA 78 0.519 2.938 0.620 1306 1HB ALA 78 1HB ALA 78 -0.252 2.493 2.935 1307 2HB ALA 78 2HB ALA 78 0.328 1.017 2.136 1308 3HB ALA 78 3HB ALA 78 1.332 1.841 3.351 1309 H MET 79 H MET 79 3.123 3.546 3.076 1310 HA MET 79 HA MET 79 2.041 6.160 3.641 1311 1HB MET 79 1HB MET 79 4.203 6.668 4.748 1312 2HB MET 79 2HB MET 79 3.285 5.292 5.367 1313 1HG MET 79 1HG MET 79 4.795 3.742 4.293 1314 2HG MET 79 2HG MET 79 5.759 5.069 3.601 1315 1HE MET 79 1HE MET 79 7.756 3.185 6.578 1316 2HE MET 79 2HE MET 79 6.436 2.454 5.635 1317 3HE MET 79 3HE MET 79 7.700 3.423 4.815 1318 H ILE 80 H ILE 80 4.590 5.105 1.379 1319 HA ILE 80 HA ILE 80 5.418 7.703 0.539 1320 HB ILE 80 HB ILE 80 5.303 5.010 -0.851 1321 1HG1 ILE 80 1HG1 ILE 80 6.787 5.426 1.248 1322 2HG1 ILE 80 2HG1 ILE 80 7.486 4.669 -0.182 1323 1HG2 ILE 80 1HG2 ILE 80 6.976 5.928 -2.463 1324 2HG2 ILE 80 2HG2 ILE 80 5.355 6.598 -2.653 1325 3HG2 ILE 80 3HG2 ILE 80 6.613 7.561 -1.856 1326 1HD1 ILE 80 1HD1 ILE 80 8.622 6.692 -0.798 1327 2HD1 ILE 80 2HD1 ILE 80 7.755 7.640 0.439 1328 3HD1 ILE 80 3HD1 ILE 80 8.929 6.398 0.917 1329 H THR 81 H THR 81 2.887 5.532 -0.782 1330 HA THR 81 HA THR 81 1.986 7.310 -2.800 1331 HB THR 81 HB THR 81 0.421 5.153 -1.302 1332 HG1 THR 81 HG1 THR 81 2.212 4.282 -2.276 1333 1HG2 THR 81 1HG2 THR 81 -0.887 5.046 -3.426 1334 2HG2 THR 81 2HG2 THR 81 -1.081 6.614 -2.602 1335 3HG2 THR 81 3HG2 THR 81 -0.031 6.476 -4.014 1336 H THR 82 H THR 82 0.943 6.861 0.637 1337 HA THR 82 HA THR 82 -1.183 8.737 0.599 1338 HB THR 82 HB THR 82 0.694 8.114 2.917 1339 HG1 THR 82 HG1 THR 82 -0.339 6.266 2.027 1340 1HG2 THR 82 1HG2 THR 82 -2.172 9.161 2.879 1341 2HG2 THR 82 2HG2 THR 82 -1.217 8.761 4.322 1342 3HG2 THR 82 3HG2 THR 82 -0.739 10.121 3.307 1343 H ALA 83 H ALA 83 2.333 9.226 1.334 1344 HA ALA 83 HA ALA 83 2.118 11.998 1.835 1345 1HB ALA 83 1HB ALA 83 4.545 12.066 1.440 1346 2HB ALA 83 2HB ALA 83 4.103 10.640 2.398 1347 3HB ALA 83 3HB ALA 83 4.484 10.467 0.671 1348 H CYS 84 H CYS 84 2.786 10.244 -1.236 1349 HA CYS 84 HA CYS 84 2.989 12.554 -2.876 1350 1HB CYS 84 1HB CYS 84 3.672 10.419 -3.720 1351 2HB CYS 84 2HB CYS 84 2.017 9.762 -3.584 1352 HG CYS 84 HG CYS 84 2.689 10.339 -6.097 1353 H HIS 85 H HIS 85 0.078 10.584 -2.100 1354 HA HIS 85 HA HIS 85 -1.846 12.052 -3.530 1355 1HB HIS 85 1HB HIS 85 -2.425 9.946 -2.555 1356 2HB HIS 85 2HB HIS 85 -1.981 10.486 -0.940 1357 HD1 HIS 85 HD1 HIS 85 -4.211 12.891 -2.864 1358 HD2 HIS 85 HD2 HIS 85 -4.323 9.914 0.095 1359 HE1 HIS 85 HE1 HIS 85 -6.498 13.052 -1.761 1360 H GLU 86 H GLU 86 -0.692 12.568 -0.155 1361 HA GLU 86 HA GLU 86 -2.298 14.860 0.342 1362 1HB GLU 86 1HB GLU 86 0.423 14.042 1.416 1363 2HB GLU 86 2HB GLU 86 -0.476 15.448 2.010 1364 1HG GLU 86 1HG GLU 86 -2.331 14.070 2.735 1365 2HG GLU 86 2HG GLU 86 -1.615 12.619 2.026 1366 H PHE 87 H PHE 87 1.007 14.570 -1.049 1367 HA PHE 87 HA PHE 87 1.522 17.346 -1.329 1368 1HB PHE 87 1HB PHE 87 2.945 15.116 -1.793 1369 2HB PHE 87 2HB PHE 87 2.514 15.467 -3.457 1370 HD1 PHE 87 HD1 PHE 87 5.201 15.572 -1.535 1371 HD2 PHE 87 HD2 PHE 87 2.734 18.425 -3.656 1372 HE1 PHE 87 HE1 PHE 87 7.092 17.146 -1.640 1373 HE2 PHE 87 HE2 PHE 87 4.616 20.006 -3.703 1374 HZ PHE 87 HZ PHE 87 6.802 19.387 -2.708 1375 H PHE 88 H PHE 88 -0.111 15.026 -3.409 1376 HA PHE 88 HA PHE 88 -0.532 16.564 -5.700 1377 1HB PHE 88 1HB PHE 88 -0.838 14.054 -5.170 1378 2HB PHE 88 2HB PHE 88 -2.503 14.481 -4.737 1379 HD1 PHE 88 HD1 PHE 88 -4.049 15.424 -6.510 1380 HD2 PHE 88 HD2 PHE 88 -0.108 13.930 -7.455 1381 HE1 PHE 88 HE1 PHE 88 -4.683 15.252 -8.889 1382 HE2 PHE 88 HE2 PHE 88 -0.757 13.754 -9.840 1383 HZ PHE 88 HZ PHE 88 -3.047 14.407 -10.562 1384 H GLU 89 H GLU 89 -2.117 16.927 -2.579 1385 HA GLU 89 HA GLU 89 -4.561 18.131 -3.367 1386 1HB GLU 89 1HB GLU 89 -2.653 18.843 -1.108 1387 2HB GLU 89 2HB GLU 89 -4.276 19.512 -1.294 1388 1HG GLU 89 1HG GLU 89 -5.294 17.310 -1.088 1389 2HG GLU 89 2HG GLU 89 -3.723 16.515 -1.037 1390 H HIS 90 H HIS 90 -1.202 19.303 -3.521 1391 HA HIS 90 HA HIS 90 -2.153 21.470 -5.332 1392 1HB HIS 90 1HB HIS 90 -1.468 22.538 -3.236 1393 2HB HIS 90 2HB HIS 90 0.089 21.698 -3.299 1394 HD1 HIS 90 HD1 HIS 90 1.936 23.137 -4.315 1395 HD2 HIS 90 HD2 HIS 90 -1.917 24.122 -5.681 1396 HE1 HIS 90 HE1 HIS 90 2.208 25.116 -5.929 1397 H GLU 91 H GLU 91 -1.948 19.498 -6.693 1398 HA GLU 91 HA GLU 91 0.563 18.322 -7.262 1399 1HB GLU 91 1HB GLU 91 -0.508 17.548 -9.295 1400 2HB GLU 91 2HB GLU 91 -1.516 17.243 -7.893 1401 1HG GLU 91 1HG GLU 91 -2.010 19.667 -9.674 1402 2HG GLU 91 2HG GLU 91 -2.601 18.062 -10.091 1403 1H LYS 62 H1 LYS 62 -38.051 -23.066 17.116 1404 2H LYS 62 H2 LYS 62 -38.324 -23.476 18.684 1405 3H LYS 62 H3 LYS 62 -36.884 -23.849 17.977 1406 HA LYS 62 HA LYS 62 -37.920 -21.167 18.540 1407 1HB LYS 62 1HB LYS 62 -35.577 -22.667 19.787 1408 2HB LYS 62 2HB LYS 62 -36.011 -20.976 20.091 1409 1HG LYS 62 1HG LYS 62 -38.240 -21.723 20.946 1410 2HG LYS 62 2HG LYS 62 -37.741 -23.414 20.721 1411 1HD LYS 62 1HD LYS 62 -35.830 -23.060 22.270 1412 2HD LYS 62 2HD LYS 62 -36.340 -21.376 22.512 1413 1HE LYS 62 1HE LYS 62 -38.518 -22.165 23.422 1414 2HE LYS 62 2HE LYS 62 -38.011 -23.849 23.178 1415 1HZ LYS 62 1HZ LYS 62 -36.692 -21.901 24.935 1416 2HZ LYS 62 2HZ LYS 62 -37.672 -23.134 25.416 1417 3HZ LYS 62 3HZ LYS 62 -36.221 -23.465 24.710 1418 H ARG 63 H ARG 63 -34.889 -22.883 17.623 1419 HA ARG 63 HA ARG 63 -33.588 -20.627 16.626 1420 1HB ARG 63 1HB ARG 63 -32.648 -22.959 17.149 1421 2HB ARG 63 2HB ARG 63 -33.176 -23.425 15.521 1422 1HG ARG 63 1HG ARG 63 -31.774 -21.470 14.642 1423 2HG ARG 63 2HG ARG 63 -31.213 -21.214 16.299 1424 1HD ARG 63 1HD ARG 63 -29.535 -22.564 15.163 1425 2HD ARG 63 2HD ARG 63 -30.357 -23.578 16.341 1426 HE ARG 63 HE ARG 63 -31.155 -24.901 14.657 1427 1HH1 ARG 63 2HH2 ARG 63 -29.958 -21.866 13.182 1428 2HH1 ARG 63 1HH2 ARG 63 -30.568 -22.275 11.608 1429 1HH2 ARG 63 2HH1 ARG 63 -31.647 -25.525 12.523 1430 2HH2 ARG 63 1HH1 ARG 63 -31.297 -24.464 11.187 1431 H LEU 64 H LEU 64 -35.687 -22.925 14.907 1432 HA LEU 64 HA LEU 64 -36.660 -22.879 12.820 1433 1HB LEU 64 1HB LEU 64 -37.000 -20.005 13.752 1434 2HB LEU 64 2HB LEU 64 -37.951 -20.758 12.469 1435 HG LEU 64 HG LEU 64 -37.896 -21.803 15.331 1436 1HD1 LEU 64 1HD1 LEU 64 -38.794 -19.514 15.270 1437 2HD1 LEU 64 2HD1 LEU 64 -39.915 -19.977 13.972 1438 3HD1 LEU 64 3HD1 LEU 64 -40.076 -20.692 15.591 1439 1HD2 LEU 64 1HD2 LEU 64 -38.611 -23.512 13.711 1440 2HD2 LEU 64 2HD2 LEU 64 -39.998 -22.936 14.637 1441 3HD2 LEU 64 3HD2 LEU 64 -39.751 -22.363 12.977 1442 H ARG 65 H ARG 65 -34.175 -23.033 12.219 1443 HA ARG 65 HA ARG 65 -32.862 -22.956 10.432 1444 1HB ARG 65 1HB ARG 65 -34.994 -22.672 9.143 1445 2HB ARG 65 2HB ARG 65 -34.698 -20.932 9.118 1446 1HG ARG 65 1HG ARG 65 -32.269 -22.291 8.241 1447 2HG ARG 65 2HG ARG 65 -33.656 -22.970 7.393 1448 1HD ARG 65 1HD ARG 65 -32.831 -21.154 6.085 1449 2HD ARG 65 2HD ARG 65 -34.385 -20.658 6.789 1450 HE ARG 65 HE ARG 65 -32.002 -19.902 8.340 1451 1HH1 ARG 65 2HH2 ARG 65 -34.089 -18.944 5.651 1452 2HH1 ARG 65 1HH2 ARG 65 -33.615 -17.269 5.693 1453 1HH2 ARG 65 2HH1 ARG 65 -31.347 -17.698 8.385 1454 2HH2 ARG 65 1HH1 ARG 65 -32.023 -16.561 7.250 1455 H ARG 66 H ARG 66 -33.949 -19.670 11.228 1456 HA ARG 66 HA ARG 66 -32.725 -17.851 10.290 1457 1HB ARG 66 1HB ARG 66 -32.532 -16.541 12.154 1458 2HB ARG 66 2HB ARG 66 -33.755 -17.754 12.533 1459 1HG ARG 66 1HG ARG 66 -31.978 -18.987 13.886 1460 2HG ARG 66 2HG ARG 66 -30.899 -17.602 13.589 1461 1HD ARG 66 1HD ARG 66 -31.877 -17.224 15.710 1462 2HD ARG 66 2HD ARG 66 -32.595 -16.081 14.556 1463 HE ARG 66 HE ARG 66 -34.072 -18.593 14.905 1464 1HH1 ARG 66 1HH2 ARG 66 -33.724 -15.253 16.039 1465 2HH1 ARG 66 2HH2 ARG 66 -35.277 -15.218 16.826 1466 1HH2 ARG 66 2HH1 ARG 66 -36.003 -18.620 16.179 1467 2HH2 ARG 66 1HH1 ARG 66 -36.623 -17.123 16.809 1468 H SER 67 H SER 67 -30.323 -19.471 12.506 1469 HA SER 67 HA SER 67 -28.163 -17.901 11.537 1470 1HB SER 67 1HB SER 67 -26.963 -19.948 12.784 1471 2HB SER 67 2HB SER 67 -27.830 -18.675 13.658 1472 HG SER 67 HG SER 67 -28.488 -20.714 14.373 1473 H ALA 68 H ALA 68 -29.436 -21.067 10.632 1474 HA ALA 68 HA ALA 68 -27.088 -21.860 9.081 1475 1HB ALA 68 1HB ALA 68 -29.848 -23.120 9.351 1476 2HB ALA 68 2HB ALA 68 -28.429 -23.852 8.577 1477 3HB ALA 68 3HB ALA 68 -28.413 -23.519 10.320 1478 H HIS 69 H HIS 69 -27.217 -19.757 7.860 1479 HA HIS 69 HA HIS 69 -28.411 -20.410 5.242 1480 1HB HIS 69 1HB HIS 69 -29.253 -18.197 4.852 1481 2HB HIS 69 2HB HIS 69 -29.977 -18.790 6.343 1482 HD1 HIS 69 HD1 HIS 69 -28.854 -17.676 8.677 1483 HD2 HIS 69 HD2 HIS 69 -27.878 -15.953 4.961 1484 HE1 HIS 69 HE1 HIS 69 -27.721 -15.446 9.175 1485 H ALA 70 H ALA 70 -27.362 -18.946 3.558 1486 HA ALA 70 HA ALA 70 -24.451 -18.776 4.037 1487 1HB ALA 70 1HB ALA 70 -26.138 -18.362 1.538 1488 2HB ALA 70 2HB ALA 70 -24.364 -18.327 1.623 1489 3HB ALA 70 3HB ALA 70 -25.240 -19.831 1.979 1490 H ARG 71 H ARG 71 -23.952 -16.932 5.200 1491 HA ARG 71 HA ARG 71 -25.365 -14.448 5.049 1492 1HB ARG 71 1HB ARG 71 -22.420 -14.773 5.762 1493 2HB ARG 71 2HB ARG 71 -23.500 -13.457 6.157 1494 1HG ARG 71 1HG ARG 71 -23.142 -14.711 8.127 1495 2HG ARG 71 2HG ARG 71 -24.827 -14.928 7.650 1496 1HD ARG 71 1HD ARG 71 -23.485 -16.977 8.514 1497 2HD ARG 71 2HD ARG 71 -24.494 -17.171 7.095 1498 HE ARG 71 HE ARG 71 -21.653 -16.419 6.657 1499 1HH1 ARG 71 2HH1 ARG 71 -23.959 -19.153 6.689 1500 2HH1 ARG 71 1HH1 ARG 71 -22.830 -20.217 5.907 1501 1HH2 ARG 71 2HH2 ARG 71 -20.564 -17.629 5.089 1502 2HH2 ARG 71 1HH2 ARG 71 -20.848 -19.351 4.999 1503 H LYS 72 H LYS 72 -25.447 -13.237 3.210 1504 HA LYS 72 HA LYS 72 -24.441 -13.858 0.848 1505 1HB LYS 72 1HB LYS 72 -26.168 -12.140 1.260 1506 2HB LYS 72 2HB LYS 72 -24.930 -11.005 1.793 1507 1HG LYS 72 1HG LYS 72 -25.693 -10.573 -0.514 1508 2HG LYS 72 2HG LYS 72 -23.961 -10.885 -0.420 1509 1HD LYS 72 1HD LYS 72 -24.977 -11.948 -2.379 1510 2HD LYS 72 2HD LYS 72 -24.253 -13.146 -1.315 1511 1HE LYS 72 1HE LYS 72 -26.510 -13.715 -0.410 1512 2HE LYS 72 2HE LYS 72 -27.231 -12.446 -1.418 1513 1HZ LYS 72 1HZ LYS 72 -26.482 -13.651 -3.338 1514 2HZ LYS 72 2HZ LYS 72 -25.798 -14.816 -2.395 1515 3HZ LYS 72 3HZ LYS 72 -27.431 -14.606 -2.389 1516 H GLU 73 H GLU 73 -22.693 -11.687 3.067 1517 HA GLU 73 HA GLU 73 -20.617 -10.839 1.492 1518 1HB GLU 73 1HB GLU 73 -19.278 -10.658 3.547 1519 2HB GLU 73 2HB GLU 73 -20.931 -10.077 3.762 1520 1HG GLU 73 1HG GLU 73 -21.523 -12.288 4.841 1521 2HG GLU 73 2HG GLU 73 -19.815 -12.744 4.736 1522 H THR 74 H THR 74 -20.964 -14.077 2.853 1523 HA THR 74 HA THR 74 -18.380 -15.080 2.491 1524 HB THR 74 HB THR 74 -20.945 -16.632 1.963 1525 HG1 THR 74 HG1 THR 74 -21.302 -15.697 3.874 1526 1HG2 THR 74 1HG2 THR 74 -19.665 -18.503 2.927 1527 2HG2 THR 74 2HG2 THR 74 -18.803 -17.842 1.530 1528 3HG2 THR 74 3HG2 THR 74 -18.260 -17.444 3.174 1529 H GLU 75 H GLU 75 -20.995 -14.547 0.112 1530 HA GLU 75 HA GLU 75 -20.012 -16.112 -2.004 1531 1HB GLU 75 1HB GLU 75 -22.279 -14.981 -1.847 1532 2HB GLU 75 2HB GLU 75 -21.478 -13.435 -2.170 1533 1HG GLU 75 1HG GLU 75 -22.418 -14.190 -4.224 1534 2HG GLU 75 2HG GLU 75 -20.675 -14.401 -4.385 1535 H PHE 76 H PHE 76 -19.350 -12.706 -1.125 1536 HA PHE 76 HA PHE 76 -17.580 -12.273 -3.388 1537 1HB PHE 76 1HB PHE 76 -17.654 -10.572 -0.900 1538 2HB PHE 76 2HB PHE 76 -17.342 -10.080 -2.556 1539 HD1 PHE 76 HD1 PHE 76 -19.515 -10.802 -4.211 1540 HD2 PHE 76 HD2 PHE 76 -19.569 -9.630 -0.073 1541 HE1 PHE 76 HE1 PHE 76 -21.881 -10.136 -4.434 1542 HE2 PHE 76 HE2 PHE 76 -21.979 -9.030 -0.274 1543 HZ PHE 76 HZ PHE 76 -23.118 -9.235 -2.458 1544 H LEU 77 H LEU 77 -17.196 -12.733 0.156 1545 HA LEU 77 HA LEU 77 -14.357 -12.513 0.198 1546 1HB LEU 77 1HB LEU 77 -16.257 -13.978 2.053 1547 2HB LEU 77 2HB LEU 77 -14.557 -13.668 2.418 1548 HG LEU 77 HG LEU 77 -16.565 -11.435 1.840 1549 1HD1 LEU 77 1HD1 LEU 77 -17.268 -12.696 3.831 1550 2HD1 LEU 77 2HD1 LEU 77 -15.641 -12.519 4.527 1551 3HD1 LEU 77 3HD1 LEU 77 -16.664 -11.089 4.264 1552 1HD2 LEU 77 1HD2 LEU 77 -14.885 -10.014 2.988 1553 2HD2 LEU 77 2HD2 LEU 77 -13.788 -11.399 3.108 1554 3HD2 LEU 77 3HD2 LEU 77 -14.224 -10.730 1.521 1555 H ARG 78 H ARG 78 -16.414 -15.205 -0.711 1556 HA ARG 78 HA ARG 78 -14.776 -17.383 -0.768 1557 1HB ARG 78 1HB ARG 78 -17.132 -16.992 -1.809 1558 2HB ARG 78 2HB ARG 78 -16.248 -16.446 -3.246 1559 1HG ARG 78 1HG ARG 78 -15.094 -18.723 -3.262 1560 2HG ARG 78 2HG ARG 78 -16.144 -19.167 -1.903 1561 1HD ARG 78 1HD ARG 78 -17.306 -19.994 -3.743 1562 2HD ARG 78 2HD ARG 78 -18.137 -18.470 -3.463 1563 HE ARG 78 HE ARG 78 -16.275 -19.234 -5.643 1564 1HH1 ARG 78 1HH1 ARG 78 -18.099 -16.448 -4.287 1565 2HH1 ARG 78 2HH1 ARG 78 -18.404 -15.776 -5.844 1566 1HH2 ARG 78 2HH2 ARG 78 -16.599 -18.250 -7.632 1567 2HH2 ARG 78 1HH2 ARG 78 -17.491 -16.754 -7.756 1568 H LEU 79 H LEU 79 -14.495 -14.474 -2.893 1569 HA LEU 79 HA LEU 79 -12.506 -15.699 -4.601 1570 1HB LEU 79 1HB LEU 79 -13.549 -12.893 -4.230 1571 2HB LEU 79 2HB LEU 79 -12.126 -13.193 -5.217 1572 HG LEU 79 HG LEU 79 -14.312 -13.087 -6.461 1573 1HD1 LEU 79 1HD1 LEU 79 -12.738 -15.665 -6.831 1574 2HD1 LEU 79 2HD1 LEU 79 -13.734 -14.831 -8.035 1575 3HD1 LEU 79 3HD1 LEU 79 -12.259 -14.061 -7.427 1576 1HD2 LEU 79 1HD2 LEU 79 -15.745 -15.034 -6.568 1577 2HD2 LEU 79 2HD2 LEU 79 -14.813 -15.869 -5.335 1578 3HD2 LEU 79 3HD2 LEU 79 -15.731 -14.398 -4.915 1579 H LYS 80 H LYS 80 -12.317 -13.679 -1.656 1580 HA LYS 80 HA LYS 80 -9.438 -13.354 -1.702 1581 1HB LYS 80 1HB LYS 80 -11.399 -13.437 0.631 1582 2HB LYS 80 2HB LYS 80 -9.667 -13.124 0.756 1583 1HG LYS 80 1HG LYS 80 -9.902 -11.142 -0.723 1584 2HG LYS 80 2HG LYS 80 -11.660 -11.419 -0.790 1585 1HD LYS 80 1HD LYS 80 -11.805 -11.176 1.666 1586 2HD LYS 80 2HD LYS 80 -10.046 -11.056 1.786 1587 1HE LYS 80 1HE LYS 80 -11.102 -8.851 2.016 1588 2HE LYS 80 2HE LYS 80 -10.027 -8.923 0.616 1589 1HZ LYS 80 1HZ LYS 80 -12.078 -7.843 0.100 1590 2HZ LYS 80 2HZ LYS 80 -11.963 -9.241 -0.761 1591 3HZ LYS 80 3HZ LYS 80 -12.958 -9.164 0.552 1592 H ARG 81 H ARG 81 -11.670 -15.720 -0.178 1593 HA ARG 81 HA ARG 81 -9.746 -17.451 0.912 1594 1HB ARG 81 1HB ARG 81 -12.232 -17.563 1.272 1595 2HB ARG 81 2HB ARG 81 -12.390 -18.293 -0.335 1596 1HG ARG 81 1HG ARG 81 -10.793 -20.122 0.436 1597 2HG ARG 81 2HG ARG 81 -10.883 -19.427 2.058 1598 1HD ARG 81 1HD ARG 81 -13.322 -19.772 2.095 1599 2HD ARG 81 2HD ARG 81 -13.301 -20.404 0.447 1600 HE ARG 81 HE ARG 81 -12.623 -21.783 2.897 1601 1HH1 ARG 81 2HH1 ARG 81 -11.892 -21.703 -0.561 1602 2HH1 ARG 81 1HH1 ARG 81 -11.452 -23.386 -0.655 1603 1HH2 ARG 81 1HH2 ARG 81 -12.052 -23.981 2.794 1604 2HH2 ARG 81 2HH2 ARG 81 -11.541 -24.700 1.291 1605 H THR 82 H THR 82 -11.152 -17.473 -2.391 1606 HA THR 82 HA THR 82 -9.766 -19.766 -3.319 1607 HB THR 82 HB THR 82 -10.730 -17.367 -4.937 1608 HG1 THR 82 HG1 THR 82 -12.371 -18.379 -3.706 1609 1HG2 THR 82 1HG2 THR 82 -9.222 -18.817 -6.259 1610 2HG2 THR 82 2HG2 THR 82 -10.138 -20.251 -5.742 1611 3HG2 THR 82 3HG2 THR 82 -10.903 -19.027 -6.774 1612 H ARG 83 H ARG 83 -8.839 -16.221 -3.572 1613 HA ARG 83 HA ARG 83 -6.389 -16.846 -4.894 1614 1HB ARG 83 1HB ARG 83 -7.276 -14.465 -3.218 1615 2HB ARG 83 2HB ARG 83 -5.745 -14.529 -4.088 1616 1HG ARG 83 1HG ARG 83 -8.453 -14.866 -5.442 1617 2HG ARG 83 2HG ARG 83 -7.619 -13.320 -5.297 1618 1HD ARG 83 1HD ARG 83 -5.761 -14.100 -6.683 1619 2HD ARG 83 2HD ARG 83 -6.379 -15.737 -6.689 1620 HE ARG 83 HE ARG 83 -8.073 -15.269 -8.129 1621 1HH1 ARG 83 1HH1 ARG 83 -6.283 -12.300 -7.434 1622 2HH1 ARG 83 2HH1 ARG 83 -6.940 -11.423 -8.781 1623 1HH2 ARG 83 1HH2 ARG 83 -8.985 -14.145 -9.832 1624 2HH2 ARG 83 2HH2 ARG 83 -8.623 -12.475 -10.138 1625 H LEU 84 H LEU 84 -7.239 -16.743 -1.446 1626 HA LEU 84 HA LEU 84 -4.532 -17.246 -0.552 1627 1HB LEU 84 1HB LEU 84 -7.240 -17.558 0.778 1628 2HB LEU 84 2HB LEU 84 -5.713 -17.790 1.625 1629 HG LEU 84 HG LEU 84 -6.403 -15.174 0.234 1630 1HD1 LEU 84 1HD1 LEU 84 -8.102 -15.646 1.952 1631 2HD1 LEU 84 2HD1 LEU 84 -6.822 -15.962 3.145 1632 3HD1 LEU 84 3HD1 LEU 84 -7.029 -14.333 2.463 1633 1HD2 LEU 84 1HD2 LEU 84 -4.682 -14.281 1.793 1634 2HD2 LEU 84 2HD2 LEU 84 -4.362 -15.923 2.378 1635 3HD2 LEU 84 3HD2 LEU 84 -4.001 -15.488 0.694 1636 H GLY 85 H GLY 85 -6.351 -19.285 -2.433 1637 1HA GLY 85 1HA GLY 85 -4.671 -21.547 -1.715 1638 2HA GLY 85 2HA GLY 85 -6.398 -21.794 -1.355 1639 H LEU 86 H LEU 86 -4.420 -20.259 -3.893 1640 HA LEU 86 HA LEU 86 -6.390 -20.423 -5.847 1641 1HB LEU 86 1HB LEU 86 -4.436 -18.864 -5.681 1642 2HB LEU 86 2HB LEU 86 -3.398 -20.165 -6.286 1643 HG LEU 86 HG LEU 86 -4.501 -20.117 -8.446 1644 1HD1 LEU 86 1HD1 LEU 86 -6.832 -19.714 -7.917 1645 2HD1 LEU 86 2HD1 LEU 86 -6.446 -18.150 -7.161 1646 3HD1 LEU 86 3HD1 LEU 86 -6.278 -18.370 -8.915 1647 1HD2 LEU 86 1HD2 LEU 86 -3.918 -17.835 -9.138 1648 2HD2 LEU 86 2HD2 LEU 86 -4.009 -17.269 -7.458 1649 3HD2 LEU 86 3HD2 LEU 86 -2.742 -18.409 -7.943 1650 H GLU 87 H GLU 87 -3.889 -22.790 -5.096 1651 HA GLU 87 HA GLU 87 -3.971 -24.327 -7.486 1652 1HB GLU 87 1HB GLU 87 -3.459 -25.160 -4.592 1653 2HB GLU 87 2HB GLU 87 -3.244 -26.210 -5.991 1654 1HG GLU 87 1HG GLU 87 -1.096 -25.345 -5.365 1655 2HG GLU 87 2HG GLU 87 -1.549 -24.686 -6.939 1656 1H LYS 62 H1 LYS 62 31.757 18.058 13.635 1657 2H LYS 62 H2 LYS 62 33.082 17.915 14.599 1658 3H LYS 62 H3 LYS 62 31.659 18.471 15.246 1659 HA LYS 62 HA LYS 62 32.034 16.202 15.864 1660 1HB LYS 62 1HB LYS 62 29.851 16.331 13.743 1661 2HB LYS 62 2HB LYS 62 29.914 15.272 15.155 1662 1HG LYS 62 1HG LYS 62 29.546 18.286 15.202 1663 2HG LYS 62 2HG LYS 62 28.312 17.056 15.471 1664 1HD LYS 62 1HD LYS 62 29.613 16.205 17.451 1665 2HD LYS 62 2HD LYS 62 30.742 17.557 17.263 1666 1HE LYS 62 1HE LYS 62 27.739 17.794 17.780 1667 2HE LYS 62 2HE LYS 62 29.022 18.000 18.982 1668 1HZ LYS 62 1HZ LYS 62 29.847 19.844 17.703 1669 2HZ LYS 62 2HZ LYS 62 28.627 19.676 16.606 1670 3HZ LYS 62 3HZ LYS 62 28.284 20.088 18.164 1671 H ARG 63 H ARG 63 31.003 14.096 13.930 1672 HA ARG 63 HA ARG 63 33.621 13.326 12.973 1673 1HB ARG 63 1HB ARG 63 31.831 11.872 13.995 1674 2HB ARG 63 2HB ARG 63 30.975 11.923 12.461 1675 1HG ARG 63 1HG ARG 63 33.832 10.905 12.964 1676 2HG ARG 63 2HG ARG 63 32.388 9.903 12.860 1677 1HD ARG 63 1HD ARG 63 33.697 11.476 10.619 1678 2HD ARG 63 2HD ARG 63 33.536 9.732 10.739 1679 HE ARG 63 HE ARG 63 31.552 11.716 9.918 1680 1HH1 ARG 63 2HH2 ARG 63 31.889 8.441 11.193 1681 2HH1 ARG 63 1HH2 ARG 63 30.302 7.924 10.693 1682 1HH2 ARG 63 2HH1 ARG 63 29.512 11.045 9.198 1683 2HH2 ARG 63 1HH1 ARG 63 28.916 9.442 9.544 1684 H LEU 64 H LEU 64 33.891 15.268 11.677 1685 HA LEU 64 HA LEU 64 34.056 16.374 9.689 1686 1HB LEU 64 1HB LEU 64 33.878 13.527 8.617 1687 2HB LEU 64 2HB LEU 64 34.528 14.924 7.737 1688 HG LEU 64 HG LEU 64 35.667 13.735 10.312 1689 1HD1 LEU 64 1HD1 LEU 64 35.927 12.268 8.344 1690 2HD1 LEU 64 2HD1 LEU 64 36.658 13.609 7.434 1691 3HD1 LEU 64 3HD1 LEU 64 37.482 12.942 8.858 1692 1HD2 LEU 64 1HD2 LEU 64 36.215 16.121 10.218 1693 2HD2 LEU 64 2HD2 LEU 64 37.643 15.184 9.780 1694 3HD2 LEU 64 3HD2 LEU 64 36.691 15.977 8.509 1695 H ARG 65 H ARG 65 32.295 14.239 7.640 1696 HA ARG 65 HA ARG 65 30.553 16.355 6.855 1697 1HB ARG 65 1HB ARG 65 30.257 13.403 6.205 1698 2HB ARG 65 2HB ARG 65 29.659 14.786 5.280 1699 1HG ARG 65 1HG ARG 65 32.562 13.901 5.634 1700 2HG ARG 65 2HG ARG 65 31.603 13.924 4.155 1701 1HD ARG 65 1HD ARG 65 31.504 16.382 4.220 1702 2HD ARG 65 2HD ARG 65 32.446 16.394 5.738 1703 HE ARG 65 HE ARG 65 33.800 15.004 3.617 1704 1HH1 ARG 65 2HH2 ARG 65 33.115 18.249 4.984 1705 2HH1 ARG 65 1HH2 ARG 65 34.543 18.950 4.287 1706 1HH2 ARG 65 2HH1 ARG 65 35.662 15.971 2.742 1707 2HH2 ARG 65 1HH1 ARG 65 36.008 17.658 3.012 1708 H ARG 66 H ARG 66 30.244 14.105 9.447 1709 HA ARG 66 HA ARG 66 27.389 14.099 9.689 1710 1HB ARG 66 1HB ARG 66 29.072 12.667 10.935 1711 2HB ARG 66 2HB ARG 66 29.446 14.080 11.938 1712 1HG ARG 66 1HG ARG 66 27.088 14.148 12.719 1713 2HG ARG 66 2HG ARG 66 26.677 12.844 11.593 1714 1HD ARG 66 1HD ARG 66 26.920 11.834 13.732 1715 2HD ARG 66 2HD ARG 66 28.329 11.362 12.761 1716 HE ARG 66 HE ARG 66 28.737 13.749 14.393 1717 1HH1 ARG 66 2HH1 ARG 66 28.702 10.218 14.489 1718 2HH1 ARG 66 1HH1 ARG 66 29.679 10.094 15.924 1719 1HH2 ARG 66 1HH2 ARG 66 30.003 13.597 16.325 1720 2HH2 ARG 66 2HH2 ARG 66 30.453 12.040 16.955 1721 H SER 67 H SER 67 29.913 16.504 10.336 1722 HA SER 67 HA SER 67 28.443 18.111 12.170 1723 1HB SER 67 1HB SER 67 30.783 19.039 10.470 1724 2HB SER 67 2HB SER 67 30.315 19.543 12.099 1725 HG SER 67 HG SER 67 31.570 17.209 11.172 1726 H ALA 68 H ALA 68 26.440 18.078 10.684 1727 HA ALA 68 HA ALA 68 24.910 19.296 9.498 1728 1HB ALA 68 1HB ALA 68 24.834 21.650 10.104 1729 2HB ALA 68 2HB ALA 68 25.327 20.676 11.500 1730 3HB ALA 68 3HB ALA 68 26.539 21.613 10.597 1731 H HIS 69 H HIS 69 26.814 18.367 7.713 1732 HA HIS 69 HA HIS 69 27.247 20.564 5.732 1733 1HB HIS 69 1HB HIS 69 27.854 17.575 5.661 1734 2HB HIS 69 2HB HIS 69 28.168 18.701 4.340 1735 HD1 HIS 69 HD1 HIS 69 29.230 19.436 7.999 1736 HD2 HIS 69 HD2 HIS 69 30.689 18.554 4.150 1737 HE1 HIS 69 HE1 HIS 69 31.774 19.510 8.140 1738 H ALA 70 H ALA 70 26.480 18.725 3.469 1739 HA ALA 70 HA ALA 70 23.636 19.096 3.394 1740 1HB ALA 70 1HB ALA 70 24.991 18.811 1.351 1741 2HB ALA 70 2HB ALA 70 25.431 17.162 1.856 1742 3HB ALA 70 3HB ALA 70 23.744 17.553 1.460 1743 H ARG 71 H ARG 71 22.019 17.753 4.232 1744 HA ARG 71 HA ARG 71 22.866 15.578 6.045 1745 1HB ARG 71 1HB ARG 71 20.096 16.655 5.426 1746 2HB ARG 71 2HB ARG 71 20.547 15.578 6.754 1747 1HG ARG 71 1HG ARG 71 21.416 18.492 6.424 1748 2HG ARG 71 2HG ARG 71 20.194 17.862 7.524 1749 1HD ARG 71 1HD ARG 71 22.148 18.247 8.825 1750 2HD ARG 71 2HD ARG 71 21.986 16.486 8.654 1751 HE ARG 71 HE ARG 71 23.670 17.883 6.667 1752 1HH1 ARG 71 2HH2 ARG 71 23.863 16.690 9.927 1753 2HH1 ARG 71 1HH2 ARG 71 25.490 16.089 9.793 1754 1HH2 ARG 71 1HH1 ARG 71 25.454 16.503 6.215 1755 2HH2 ARG 71 2HH1 ARG 71 26.491 16.036 7.550 1756 H LYS 72 H LYS 72 23.787 14.700 3.935 1757 HA LYS 72 HA LYS 72 22.466 13.677 1.846 1758 1HB LYS 72 1HB LYS 72 24.198 12.067 1.542 1759 2HB LYS 72 2HB LYS 72 24.837 13.633 2.019 1760 1HG LYS 72 1HG LYS 72 24.636 11.169 3.809 1761 2HG LYS 72 2HG LYS 72 26.058 11.751 2.972 1762 1HD LYS 72 1HD LYS 72 25.932 13.911 4.274 1763 2HD LYS 72 2HD LYS 72 24.648 13.179 5.265 1764 1HE LYS 72 1HE LYS 72 26.216 11.309 5.840 1765 2HE LYS 72 2HE LYS 72 27.498 12.164 4.964 1766 1HZ LYS 72 1HZ LYS 72 27.203 14.007 6.472 1767 2HZ LYS 72 2HZ LYS 72 26.009 13.204 7.274 1768 3HZ LYS 72 3HZ LYS 72 27.550 12.624 7.297 1769 H GLU 73 H GLU 73 22.815 11.913 4.902 1770 HA GLU 73 HA GLU 73 21.582 9.519 4.331 1771 1HB GLU 73 1HB GLU 73 21.249 11.097 6.918 1772 2HB GLU 73 2HB GLU 73 21.079 9.352 6.713 1773 1HG GLU 73 1HG GLU 73 23.673 10.951 6.427 1774 2HG GLU 73 2HG GLU 73 23.216 9.891 7.751 1775 H THR 74 H THR 74 19.927 12.647 4.911 1776 HA THR 74 HA THR 74 17.319 11.296 5.142 1777 HB THR 74 HB THR 74 16.552 13.435 5.864 1778 HG1 THR 74 HG1 THR 74 19.149 14.367 5.230 1779 1HG2 THR 74 1HG2 THR 74 17.682 11.980 7.537 1780 2HG2 THR 74 2HG2 THR 74 19.206 12.846 7.247 1781 3HG2 THR 74 3HG2 THR 74 17.812 13.705 7.925 1782 H GLU 75 H GLU 75 19.200 12.553 2.561 1783 HA GLU 75 HA GLU 75 17.418 14.337 1.342 1784 1HB GLU 75 1HB GLU 75 19.466 12.460 0.087 1785 2HB GLU 75 2HB GLU 75 18.634 13.740 -0.803 1786 1HG GLU 75 1HG GLU 75 20.330 14.199 1.687 1787 2HG GLU 75 2HG GLU 75 20.888 14.442 0.023 1788 H PHE 76 H PHE 76 17.542 10.808 0.946 1789 HA PHE 76 HA PHE 76 15.620 10.533 -1.066 1790 1HB PHE 76 1HB PHE 76 15.677 8.526 1.159 1791 2HB PHE 76 2HB PHE 76 15.591 8.279 -0.582 1792 HD1 PHE 76 HD1 PHE 76 17.744 9.210 -1.921 1793 HD2 PHE 76 HD2 PHE 76 17.718 8.256 2.290 1794 HE1 PHE 76 HE1 PHE 76 20.142 9.720 -1.781 1795 HE2 PHE 76 HE2 PHE 76 20.154 8.637 2.378 1796 HZ PHE 76 HZ PHE 76 21.378 9.358 0.369 1797 H LEU 77 H LEU 77 15.129 11.434 2.287 1798 HA LEU 77 HA LEU 77 12.240 10.759 2.223 1799 1HB LEU 77 1HB LEU 77 13.869 11.955 4.476 1800 2HB LEU 77 2HB LEU 77 12.292 11.167 4.568 1801 HG LEU 77 HG LEU 77 14.963 9.816 3.912 1802 1HD1 LEU 77 1HD1 LEU 77 14.693 8.717 6.067 1803 2HD1 LEU 77 2HD1 LEU 77 14.727 10.477 6.263 1804 3HD1 LEU 77 3HD1 LEU 77 13.180 9.604 6.361 1805 1HD2 LEU 77 1HD2 LEU 77 13.145 8.653 2.711 1806 2HD2 LEU 77 2HD2 LEU 77 13.707 7.686 4.075 1807 3HD2 LEU 77 3HD2 LEU 77 12.181 8.588 4.204 1808 H ARG 78 H ARG 78 14.259 13.342 1.288 1809 HA ARG 78 HA ARG 78 13.291 15.552 2.535 1810 1HB ARG 78 1HB ARG 78 15.201 15.434 0.916 1811 2HB ARG 78 2HB ARG 78 14.042 15.368 -0.410 1812 1HG ARG 78 1HG ARG 78 14.899 17.599 -0.216 1813 2HG ARG 78 2HG ARG 78 13.203 17.640 0.257 1814 1HD ARG 78 1HD ARG 78 14.635 19.015 1.722 1815 2HD ARG 78 2HD ARG 78 13.847 17.753 2.640 1816 HE ARG 78 HE ARG 78 16.703 17.823 1.694 1817 1HH1 ARG 78 2HH2 ARG 78 14.382 16.498 4.065 1818 2HH1 ARG 78 1HH2 ARG 78 15.625 15.616 4.910 1819 1HH2 ARG 78 1HH1 ARG 78 18.274 16.666 2.861 1820 2HH2 ARG 78 2HH1 ARG 78 17.799 15.718 4.252 1821 H LEU 79 H LEU 79 11.886 14.129 -0.441 1822 HA LEU 79 HA LEU 79 9.852 15.943 -0.883 1823 1HB LEU 79 1HB LEU 79 8.669 14.282 -2.064 1824 2HB LEU 79 2HB LEU 79 10.384 14.137 -2.425 1825 HG LEU 79 HG LEU 79 8.924 12.312 -0.451 1826 1HD1 LEU 79 1HD1 LEU 79 7.876 12.161 -2.653 1827 2HD1 LEU 79 2HD1 LEU 79 9.463 11.859 -3.386 1828 3HD1 LEU 79 3HD1 LEU 79 8.766 10.688 -2.244 1829 1HD2 LEU 79 1HD2 LEU 79 11.361 12.199 -0.141 1830 2HD2 LEU 79 2HD2 LEU 79 10.815 10.759 -0.977 1831 3HD2 LEU 79 3HD2 LEU 79 11.614 12.048 -1.893 1832 H LYS 80 H LYS 80 9.912 13.387 1.599 1833 HA LYS 80 HA LYS 80 7.085 13.418 2.165 1834 1HB LYS 80 1HB LYS 80 9.323 12.345 3.862 1835 2HB LYS 80 2HB LYS 80 7.586 12.039 3.995 1836 1HG LYS 80 1HG LYS 80 7.748 11.280 1.467 1837 2HG LYS 80 2HG LYS 80 9.492 11.219 1.782 1838 1HD LYS 80 1HD LYS 80 8.842 9.062 2.245 1839 2HD LYS 80 2HD LYS 80 8.848 9.815 3.858 1840 1HE LYS 80 1HE LYS 80 6.379 10.071 3.745 1841 2HE LYS 80 2HE LYS 80 6.377 9.436 2.091 1842 1HZ LYS 80 1HZ LYS 80 7.194 7.368 2.938 1843 2HZ LYS 80 2HZ LYS 80 7.184 7.942 4.482 1844 3HZ LYS 80 3HZ LYS 80 5.768 7.778 3.653 1845 H ARG 81 H ARG 81 9.852 15.323 3.160 1846 HA ARG 81 HA ARG 81 8.433 16.614 5.401 1847 1HB ARG 81 1HB ARG 81 10.857 16.073 5.558 1848 2HB ARG 81 2HB ARG 81 11.179 17.114 4.169 1849 1HG ARG 81 1HG ARG 81 11.752 18.252 6.220 1850 2HG ARG 81 2HG ARG 81 10.407 19.092 5.445 1851 1HD ARG 81 1HD ARG 81 8.816 18.125 7.002 1852 2HD ARG 81 2HD ARG 81 10.031 17.062 7.711 1853 HE ARG 81 HE ARG 81 9.551 19.898 8.209 1854 1HH1 ARG 81 1HH1 ARG 81 11.997 17.352 8.422 1855 2HH1 ARG 81 2HH1 ARG 81 12.871 18.108 9.726 1856 1HH2 ARG 81 1HH2 ARG 81 10.701 20.907 9.884 1857 2HH2 ARG 81 2HH2 ARG 81 12.133 20.177 10.552 1858 H THR 82 H THR 82 9.622 17.264 2.108 1859 HA THR 82 HA THR 82 8.982 20.014 1.965 1860 HB THR 82 HB THR 82 9.001 18.013 -0.327 1861 HG1 THR 82 HG1 THR 82 10.913 17.918 0.948 1862 1HG2 THR 82 1HG2 THR 82 9.777 19.935 -1.659 1863 2HG2 THR 82 2HG2 THR 82 8.183 20.276 -0.963 1864 3HG2 THR 82 3HG2 THR 82 9.637 20.994 -0.242 1865 H ARG 83 H ARG 83 7.014 17.114 1.399 1866 HA ARG 83 HA ARG 83 4.616 18.093 0.408 1867 1HB ARG 83 1HB ARG 83 4.898 15.766 0.897 1868 2HB ARG 83 2HB ARG 83 5.402 16.136 2.543 1869 1HG ARG 83 1HG ARG 83 3.058 16.756 3.150 1870 2HG ARG 83 2HG ARG 83 2.555 16.394 1.488 1871 1HD ARG 83 1HD ARG 83 2.093 14.567 3.109 1872 2HD ARG 83 2HD ARG 83 3.188 14.062 1.803 1873 HE ARG 83 HE ARG 83 4.915 14.858 3.788 1874 1HH1 ARG 83 2HH2 ARG 83 2.198 12.549 3.940 1875 2HH1 ARG 83 1HH2 ARG 83 3.069 11.482 5.000 1876 1HH2 ARG 83 2HH1 ARG 83 5.940 13.593 5.120 1877 2HH2 ARG 83 1HH1 ARG 83 5.237 12.123 5.783 1878 H LEU 84 H LEU 84 5.948 18.632 3.744 1879 HA LEU 84 HA LEU 84 3.436 19.613 4.778 1880 1HB LEU 84 1HB LEU 84 6.234 20.255 5.763 1881 2HB LEU 84 2HB LEU 84 4.712 20.447 6.638 1882 HG LEU 84 HG LEU 84 6.065 17.835 5.844 1883 1HD1 LEU 84 1HD1 LEU 84 6.876 19.075 7.872 1884 2HD1 LEU 84 2HD1 LEU 84 5.244 18.956 8.553 1885 3HD1 LEU 84 3HD1 LEU 84 6.186 17.481 8.243 1886 1HD2 LEU 84 1HD2 LEU 84 4.192 16.687 7.021 1887 2HD2 LEU 84 2HD2 LEU 84 3.299 18.223 7.057 1888 3HD2 LEU 84 3HD2 LEU 84 3.687 17.436 5.508 1889 H GLY 85 H GLY 85 5.846 21.006 2.695 1890 1HA GLY 85 1HA GLY 85 4.397 23.623 2.733 1891 2HA GLY 85 2HA GLY 85 6.117 23.437 2.358 1892 H LEU 86 H LEU 86 3.369 21.284 1.388 1893 HA LEU 86 HA LEU 86 4.089 21.232 -1.323 1894 1HB LEU 86 1HB LEU 86 2.072 20.131 -1.761 1895 2HB LEU 86 2HB LEU 86 2.628 19.585 -0.194 1896 HG LEU 86 HG LEU 86 0.294 21.396 -0.895 1897 1HD1 LEU 86 1HD1 LEU 86 0.494 18.733 0.526 1898 2HD1 LEU 86 2HD1 LEU 86 -0.995 19.674 0.317 1899 3HD1 LEU 86 3HD1 LEU 86 -0.133 19.076 -1.107 1900 1HD2 LEU 86 1HD2 LEU 86 -0.271 21.568 1.512 1901 2HD2 LEU 86 2HD2 LEU 86 1.236 20.757 1.952 1902 3HD2 LEU 86 3HD2 LEU 86 1.260 22.374 1.223 1903 H GLU 87 H GLU 87 2.522 23.772 0.383 1904 HA GLU 87 HA GLU 87 1.488 25.677 -0.139 1905 1HB GLU 87 1HB GLU 87 2.801 25.505 -2.878 1906 2HB GLU 87 2HB GLU 87 2.241 26.950 -2.029 1907 1HG GLU 87 1HG GLU 87 4.610 25.185 -1.301 1908 2HG GLU 87 2HG GLU 87 4.642 26.854 -1.853 Start of MODEL 20 1 1H SER 1 1H SER 1 8.991 5.493 -12.710 2 2H SER 1 2H SER 1 10.592 5.161 -12.977 3 3H SER 1 3H SER 1 9.769 4.361 -11.794 4 HA SER 1 HA SER 1 9.208 4.252 -14.663 5 1HB SER 1 1HB SER 1 10.613 2.076 -13.078 6 2HB SER 1 2HB SER 1 10.434 2.239 -14.844 7 HG SER 1 HG SER 1 12.251 3.416 -13.148 8 H GLU 2 H GLU 2 8.694 1.263 -14.065 9 HA GLU 2 HA GLU 2 6.059 1.265 -14.410 10 1HB GLU 2 1HB GLU 2 7.329 -0.887 -12.678 11 2HB GLU 2 2HB GLU 2 6.004 -1.038 -13.838 12 1HG GLU 2 1HG GLU 2 8.978 -0.729 -14.371 13 2HG GLU 2 2HG GLU 2 7.894 -2.018 -14.873 14 H LEU 3 H LEU 3 7.482 0.921 -11.121 15 HA LEU 3 HA LEU 3 4.956 0.750 -9.811 16 1HB LEU 3 1HB LEU 3 7.533 1.779 -8.615 17 2HB LEU 3 2HB LEU 3 6.085 1.212 -7.763 18 HG LEU 3 HG LEU 3 7.987 -0.468 -9.454 19 1HD1 LEU 3 1HD1 LEU 3 8.642 -0.039 -7.106 20 2HD1 LEU 3 2HD1 LEU 3 7.056 -0.618 -6.554 21 3HD1 LEU 3 3HD1 LEU 3 8.177 -1.736 -7.356 22 1HD2 LEU 3 1HD2 LEU 3 5.889 -1.364 -10.095 23 2HD2 LEU 3 2HD2 LEU 3 6.439 -2.387 -8.765 24 3HD2 LEU 3 3HD2 LEU 3 5.212 -1.141 -8.471 25 H GLU 4 H GLU 4 6.812 3.644 -10.842 26 HA GLU 4 HA GLU 4 5.213 5.512 -9.322 27 1HB GLU 4 1HB GLU 4 6.796 5.907 -11.881 28 2HB GLU 4 2HB GLU 4 6.048 7.188 -10.922 29 1HG GLU 4 1HG GLU 4 7.398 6.607 -8.962 30 2HG GLU 4 2HG GLU 4 8.093 5.236 -9.805 31 H LYS 5 H LYS 5 4.910 3.880 -12.478 32 HA LYS 5 HA LYS 5 2.725 5.443 -13.472 33 1HB LYS 5 1HB LYS 5 4.301 3.739 -14.666 34 2HB LYS 5 2HB LYS 5 3.123 2.523 -14.169 35 1HG LYS 5 1HG LYS 5 2.613 4.990 -15.891 36 2HG LYS 5 2HG LYS 5 2.745 3.312 -16.430 37 1HD LYS 5 1HD LYS 5 0.708 2.787 -14.949 38 2HD LYS 5 2HD LYS 5 0.547 4.536 -14.704 39 1HE LYS 5 1HE LYS 5 -0.957 3.907 -16.453 40 2HE LYS 5 2HE LYS 5 0.350 4.863 -17.168 41 1HZ LYS 5 1HZ LYS 5 1.352 2.806 -17.890 42 2HZ LYS 5 2HZ LYS 5 0.141 1.927 -17.198 43 3HZ LYS 5 3HZ LYS 5 -0.185 2.931 -18.463 44 H ALA 6 H ALA 6 2.909 2.273 -11.818 45 HA ALA 6 HA ALA 6 0.158 1.776 -11.445 46 1HB ALA 6 1HB ALA 6 0.916 0.322 -9.570 47 2HB ALA 6 2HB ALA 6 1.931 0.136 -11.018 48 3HB ALA 6 3HB ALA 6 2.516 1.086 -9.641 49 H VAL 7 H VAL 7 2.420 3.507 -9.300 50 HA VAL 7 HA VAL 7 0.656 4.203 -7.221 51 HB VAL 7 HB VAL 7 3.240 5.294 -8.323 52 1HG1 VAL 7 1HG1 VAL 7 3.515 6.685 -6.342 53 2HG1 VAL 7 2HG1 VAL 7 2.268 7.312 -7.434 54 3HG1 VAL 7 3HG1 VAL 7 1.815 6.473 -5.938 55 1HG2 VAL 7 1HG2 VAL 7 4.144 4.363 -6.251 56 2HG2 VAL 7 2HG2 VAL 7 2.507 4.007 -5.665 57 3HG2 VAL 7 3HG2 VAL 7 3.157 3.116 -7.034 58 H VAL 8 H VAL 8 1.545 6.256 -10.121 59 HA VAL 8 HA VAL 8 -0.345 8.243 -9.303 60 HB VAL 8 HB VAL 8 -0.128 9.293 -11.422 61 1HG1 VAL 8 1HG1 VAL 8 1.579 9.660 -9.696 62 2HG1 VAL 8 2HG1 VAL 8 2.562 8.340 -10.352 63 3HG1 VAL 8 3HG1 VAL 8 2.264 9.790 -11.324 64 1HG2 VAL 8 1HG2 VAL 8 -0.050 7.371 -12.957 65 2HG2 VAL 8 2HG2 VAL 8 1.318 8.466 -13.204 66 3HG2 VAL 8 3HG2 VAL 8 1.553 6.949 -12.330 67 H ALA 9 H ALA 9 -0.722 5.318 -11.324 68 HA ALA 9 HA ALA 9 -3.371 5.872 -12.195 69 1HB ALA 9 1HB ALA 9 -2.038 3.991 -13.058 70 2HB ALA 9 2HB ALA 9 -2.193 3.153 -11.500 71 3HB ALA 9 3HB ALA 9 -3.635 3.476 -12.473 72 H LEU 10 H LEU 10 -2.262 4.187 -9.172 73 HA LEU 10 HA LEU 10 -4.840 3.803 -8.044 74 1HB LEU 10 1HB LEU 10 -2.030 3.967 -6.994 75 2HB LEU 10 2HB LEU 10 -3.298 4.364 -5.839 76 HG LEU 10 HG LEU 10 -4.446 2.215 -6.327 77 1HD1 LEU 10 1HD1 LEU 10 -1.853 1.550 -7.792 78 2HD1 LEU 10 2HD1 LEU 10 -3.171 0.420 -7.423 79 3HD1 LEU 10 3HD1 LEU 10 -3.441 1.745 -8.572 80 1HD2 LEU 10 1HD2 LEU 10 -3.011 2.512 -4.374 81 2HD2 LEU 10 2HD2 LEU 10 -2.824 0.872 -5.018 82 3HD2 LEU 10 3HD2 LEU 10 -1.570 2.091 -5.329 83 H ILE 11 H ILE 11 -2.586 6.555 -7.657 84 HA ILE 11 HA ILE 11 -4.199 8.098 -5.915 85 HB ILE 11 HB ILE 11 -2.065 8.789 -7.952 86 1HG1 ILE 11 1HG1 ILE 11 -2.117 8.756 -4.904 87 2HG1 ILE 11 2HG1 ILE 11 -1.502 7.450 -5.911 88 1HG2 ILE 11 1HG2 ILE 11 -1.892 11.041 -6.986 89 2HG2 ILE 11 2HG2 ILE 11 -3.432 10.813 -7.790 90 3HG2 ILE 11 3HG2 ILE 11 -3.350 10.755 -6.023 91 1HD1 ILE 11 1HD1 ILE 11 0.378 8.687 -5.159 92 2HD1 ILE 11 2HD1 ILE 11 0.185 9.054 -6.884 93 3HD1 ILE 11 3HD1 ILE 11 -0.328 10.232 -5.647 94 H ASP 12 H ASP 12 -3.981 8.255 -9.504 95 HA ASP 12 HA ASP 12 -5.869 10.349 -9.777 96 1HB ASP 12 1HB ASP 12 -4.284 9.731 -11.543 97 2HB ASP 12 2HB ASP 12 -5.078 8.163 -11.749 98 H VAL 13 H VAL 13 -6.287 6.778 -10.145 99 HA VAL 13 HA VAL 13 -9.041 6.834 -10.774 100 HB VAL 13 HB VAL 13 -7.313 4.744 -9.377 101 1HG1 VAL 13 1HG1 VAL 13 -10.140 4.487 -10.477 102 2HG1 VAL 13 2HG1 VAL 13 -9.106 3.122 -10.016 103 3HG1 VAL 13 3HG1 VAL 13 -9.657 4.257 -8.777 104 1HG2 VAL 13 1HG2 VAL 13 -8.465 4.841 -12.205 105 2HG2 VAL 13 2HG2 VAL 13 -6.834 5.403 -11.822 106 3HG2 VAL 13 3HG2 VAL 13 -7.258 3.708 -11.551 107 H PHE 14 H PHE 14 -7.440 6.483 -7.559 108 HA PHE 14 HA PHE 14 -9.817 6.431 -6.029 109 1HB PHE 14 1HB PHE 14 -7.548 5.929 -5.175 110 2HB PHE 14 2HB PHE 14 -7.132 7.638 -5.280 111 HD1 PHE 14 HD1 PHE 14 -8.876 5.070 -3.348 112 HD2 PHE 14 HD2 PHE 14 -8.481 9.333 -3.848 113 HE1 PHE 14 HE1 PHE 14 -9.589 5.436 -0.996 114 HE2 PHE 14 HE2 PHE 14 -9.276 9.669 -1.561 115 HZ PHE 14 HZ PHE 14 -9.630 7.726 -0.045 116 H HIS 15 H HIS 15 -7.818 9.269 -7.065 117 HA HIS 15 HA HIS 15 -9.334 11.273 -5.802 118 1HB HIS 15 1HB HIS 15 -7.205 11.779 -6.768 119 2HB HIS 15 2HB HIS 15 -7.723 11.288 -8.376 120 HD1 HIS 15 HD1 HIS 15 -9.116 13.011 -9.823 121 HD2 HIS 15 HD2 HIS 15 -8.105 14.229 -5.915 122 HE1 HIS 15 HE1 HIS 15 -9.660 15.501 -9.662 123 H GLN 16 H GLN 16 -9.809 9.816 -9.082 124 HA GLN 16 HA GLN 16 -11.989 11.441 -9.814 125 1HB GLN 16 1HB GLN 16 -11.672 8.494 -10.542 126 2HB GLN 16 2HB GLN 16 -12.701 9.684 -11.339 127 1HG GLN 16 1HG GLN 16 -9.687 9.501 -11.405 128 2HG GLN 16 2HG GLN 16 -10.814 9.435 -12.734 129 1HE2 GLN 16 1HE2 GLN 16 -11.854 11.454 -13.444 130 2HE2 GLN 16 2HE2 GLN 16 -11.095 12.986 -13.046 131 H TYR 17 H TYR 17 -12.154 8.308 -8.016 132 HA TYR 17 HA TYR 17 -15.040 8.495 -7.729 133 1HB TYR 17 1HB TYR 17 -12.974 6.855 -6.231 134 2HB TYR 17 2HB TYR 17 -14.712 6.718 -5.993 135 HD1 TYR 17 HD1 TYR 17 -11.941 5.579 -7.974 136 HD2 TYR 17 HD2 TYR 17 -16.216 6.094 -7.971 137 HE1 TYR 17 HE1 TYR 17 -12.151 3.848 -9.722 138 HE2 TYR 17 HE2 TYR 17 -16.419 4.354 -9.732 139 HH TYR 17 HH TYR 17 -13.546 2.709 -11.129 140 H SER 18 H SER 18 -12.352 9.185 -5.491 141 HA SER 18 HA SER 18 -13.949 9.884 -3.258 142 1HB SER 18 1HB SER 18 -11.577 9.186 -3.166 143 2HB SER 18 2HB SER 18 -11.094 10.727 -3.888 144 HG SER 18 HG SER 18 -12.660 10.498 -1.516 145 H GLY 19 H GLY 19 -13.195 11.782 -6.135 146 1HA GLY 19 1HA GLY 19 -13.659 14.380 -4.950 147 2HA GLY 19 2HA GLY 19 -13.712 13.928 -6.662 148 H ARG 20 H ARG 20 -15.734 11.680 -5.949 149 HA ARG 20 HA ARG 20 -17.961 13.362 -6.727 150 1HB ARG 20 1HB ARG 20 -18.009 10.381 -6.171 151 2HB ARG 20 2HB ARG 20 -19.113 11.348 -7.159 152 1HG ARG 20 1HG ARG 20 -17.057 11.885 -8.642 153 2HG ARG 20 2HG ARG 20 -16.179 10.734 -7.690 154 1HD ARG 20 1HD ARG 20 -16.994 9.758 -9.796 155 2HD ARG 20 2HD ARG 20 -17.421 8.858 -8.355 156 HE ARG 20 HE ARG 20 -19.211 10.446 -10.118 157 1HH1 ARG 20 2HH1 ARG 20 -18.975 8.420 -7.180 158 2HH1 ARG 20 1HH1 ARG 20 -20.623 7.907 -7.263 159 1HH2 ARG 20 1HH2 ARG 20 -21.405 9.876 -10.109 160 2HH2 ARG 20 2HH2 ARG 20 -22.050 8.832 -8.869 161 H GLU 21 H GLU 21 -17.398 11.085 -3.999 162 HA GLU 21 HA GLU 21 -19.085 12.795 -2.275 163 1HB GLU 21 1HB GLU 21 -19.511 9.800 -2.392 164 2HB GLU 21 2HB GLU 21 -20.305 10.957 -1.328 165 1HG GLU 21 1HG GLU 21 -21.352 12.045 -3.316 166 2HG GLU 21 2HG GLU 21 -20.583 10.845 -4.369 167 H GLY 22 H GLY 22 -17.478 13.463 -0.961 168 1HA GLY 22 1HA GLY 22 -16.238 12.275 1.094 169 2HA GLY 22 2HA GLY 22 -15.264 11.700 -0.287 170 H ASP 23 H ASP 23 -13.460 12.995 -0.168 171 HA ASP 23 HA ASP 23 -13.750 15.593 -1.289 172 1HB ASP 23 1HB ASP 23 -14.198 16.284 1.064 173 2HB ASP 23 2HB ASP 23 -12.671 15.543 1.568 174 H LYS 24 H LYS 24 -12.646 13.590 -2.442 175 HA LYS 24 HA LYS 24 -10.849 13.108 -3.684 176 1HB LYS 24 1HB LYS 24 -9.385 15.363 -2.287 177 2HB LYS 24 2HB LYS 24 -8.879 14.532 -3.737 178 1HG LYS 24 1HG LYS 24 -10.745 15.265 -5.017 179 2HG LYS 24 2HG LYS 24 -11.584 15.953 -3.625 180 1HD LYS 24 1HD LYS 24 -8.834 16.992 -4.357 181 2HD LYS 24 2HD LYS 24 -10.238 17.473 -5.305 182 1HE LYS 24 1HE LYS 24 -9.822 19.133 -3.569 183 2HE LYS 24 2HE LYS 24 -11.388 18.348 -3.318 184 1HZ LYS 24 1HZ LYS 24 -10.200 18.583 -1.291 185 2HZ LYS 24 2HZ LYS 24 -10.337 16.984 -1.637 186 3HZ LYS 24 3HZ LYS 24 -8.897 17.763 -1.876 187 H HIS 25 H HIS 25 -10.127 13.358 -0.225 188 HA HIS 25 HA HIS 25 -8.047 11.251 -0.437 189 1HB HIS 25 1HB HIS 25 -8.759 13.178 1.787 190 2HB HIS 25 2HB HIS 25 -7.406 12.037 1.793 191 HD1 HIS 25 HD1 HIS 25 -6.408 12.607 -1.223 192 HD2 HIS 25 HD2 HIS 25 -7.317 15.427 1.772 193 HE1 HIS 25 HE1 HIS 25 -5.101 14.724 -1.790 194 H LYS 26 H LYS 26 -11.335 11.128 0.061 195 HA LYS 26 HA LYS 26 -11.077 8.704 1.664 196 1HB LYS 26 1HB LYS 26 -12.895 9.391 3.196 197 2HB LYS 26 2HB LYS 26 -11.327 10.082 3.548 198 1HG LYS 26 1HG LYS 26 -13.526 11.564 2.021 199 2HG LYS 26 2HG LYS 26 -13.430 11.548 3.773 200 1HD LYS 26 1HD LYS 26 -11.426 12.819 1.872 201 2HD LYS 26 2HD LYS 26 -12.498 13.598 3.021 202 1HE LYS 26 1HE LYS 26 -10.060 11.889 3.691 203 2HE LYS 26 2HE LYS 26 -10.261 13.626 3.908 204 1HZ LYS 26 1HZ LYS 26 -10.573 12.486 5.946 205 2HZ LYS 26 2HZ LYS 26 -11.999 13.174 5.497 206 3HZ LYS 26 3HZ LYS 26 -11.776 11.549 5.332 207 H LEU 27 H LEU 27 -12.663 7.213 1.376 208 HA LEU 27 HA LEU 27 -14.734 7.836 -0.712 209 1HB LEU 27 1HB LEU 27 -13.503 5.200 0.166 210 2HB LEU 27 2HB LEU 27 -14.735 5.381 -1.081 211 HG LEU 27 HG LEU 27 -11.969 6.623 -1.288 212 1HD1 LEU 27 1HD1 LEU 27 -11.441 4.672 -2.767 213 2HD1 LEU 27 2HD1 LEU 27 -11.772 4.168 -1.097 214 3HD1 LEU 27 3HD1 LEU 27 -13.013 3.966 -2.357 215 1HD2 LEU 27 1HD2 LEU 27 -13.990 5.930 -3.460 216 2HD2 LEU 27 2HD2 LEU 27 -13.725 7.569 -2.820 217 3HD2 LEU 27 3HD2 LEU 27 -12.419 6.722 -3.676 218 H LYS 28 H LYS 28 -16.878 7.556 -0.109 219 HA LYS 28 HA LYS 28 -17.503 6.552 2.624 220 1HB LYS 28 1HB LYS 28 -19.491 7.468 0.528 221 2HB LYS 28 2HB LYS 28 -19.689 7.333 2.284 222 1HG LYS 28 1HG LYS 28 -17.756 9.123 2.375 223 2HG LYS 28 2HG LYS 28 -18.167 9.363 0.659 224 1HD LYS 28 1HD LYS 28 -20.555 9.778 1.341 225 2HD LYS 28 2HD LYS 28 -20.059 9.607 3.042 226 1HE LYS 28 1HE LYS 28 -18.490 11.531 2.766 227 2HE LYS 28 2HE LYS 28 -19.016 11.706 1.082 228 1HZ LYS 28 1HZ LYS 28 -21.221 12.146 1.877 229 2HZ LYS 28 2HZ LYS 28 -20.731 11.989 3.444 230 3HZ LYS 28 3HZ LYS 28 -20.144 13.216 2.514 231 H LYS 29 H LYS 29 -19.541 4.943 2.543 232 HA LYS 29 HA LYS 29 -18.741 2.608 1.193 233 1HB LYS 29 1HB LYS 29 -20.831 1.615 1.741 234 2HB LYS 29 2HB LYS 29 -20.160 2.420 3.126 235 1HG LYS 29 1HG LYS 29 -22.456 3.422 1.354 236 2HG LYS 29 2HG LYS 29 -22.612 2.631 2.916 237 1HD LYS 29 1HD LYS 29 -21.490 5.419 2.426 238 2HD LYS 29 2HD LYS 29 -23.013 4.976 3.171 239 1HE LYS 29 1HE LYS 29 -21.855 3.853 5.042 240 2HE LYS 29 2HE LYS 29 -20.280 4.292 4.375 241 1HZ LYS 29 1HZ LYS 29 -22.353 6.174 5.237 242 2HZ LYS 29 2HZ LYS 29 -20.962 5.806 6.040 243 3HZ LYS 29 3HZ LYS 29 -20.893 6.589 4.593 244 H SER 30 H SER 30 -20.859 5.197 -0.089 245 HA SER 30 HA SER 30 -21.843 3.727 -2.331 246 1HB SER 30 1HB SER 30 -21.831 6.180 -3.267 247 2HB SER 30 2HB SER 30 -22.831 5.833 -1.842 248 HG SER 30 HG SER 30 -21.420 7.717 -1.664 249 H GLU 31 H GLU 31 -19.044 5.924 -1.941 250 HA GLU 31 HA GLU 31 -18.080 5.479 -4.588 251 1HB GLU 31 1HB GLU 31 -16.479 6.545 -2.247 252 2HB GLU 31 2HB GLU 31 -16.144 6.734 -3.978 253 1HG GLU 31 1HG GLU 31 -18.461 7.893 -2.413 254 2HG GLU 31 2HG GLU 31 -17.171 8.786 -3.233 255 H LEU 32 H LEU 32 -17.098 4.079 -1.472 256 HA LEU 32 HA LEU 32 -14.953 2.539 -2.480 257 1HB LEU 32 1HB LEU 32 -15.308 3.237 -0.155 258 2HB LEU 32 2HB LEU 32 -16.666 2.114 -0.003 259 HG LEU 32 HG LEU 32 -14.354 1.538 0.981 260 1HD1 LEU 32 1HD1 LEU 32 -15.785 -0.509 -0.727 261 2HD1 LEU 32 2HD1 LEU 32 -14.678 -0.846 0.623 262 3HD1 LEU 32 3HD1 LEU 32 -16.194 0.020 0.923 263 1HD2 LEU 32 1HD2 LEU 32 -13.718 0.671 -1.866 264 2HD2 LEU 32 2HD2 LEU 32 -12.959 2.022 -0.993 265 3HD2 LEU 32 3HD2 LEU 32 -12.761 0.364 -0.410 266 H LYS 33 H LYS 33 -18.466 1.782 -2.059 267 HA LYS 33 HA LYS 33 -18.352 -0.911 -2.941 268 1HB LYS 33 1HB LYS 33 -20.312 0.112 -1.880 269 2HB LYS 33 2HB LYS 33 -20.543 1.173 -3.270 270 1HG LYS 33 1HG LYS 33 -21.002 -0.832 -4.697 271 2HG LYS 33 2HG LYS 33 -20.657 -1.876 -3.306 272 1HD LYS 33 1HD LYS 33 -23.039 -1.719 -3.506 273 2HD LYS 33 2HD LYS 33 -22.584 -0.774 -2.079 274 1HE LYS 33 1HE LYS 33 -22.791 1.324 -3.368 275 2HE LYS 33 2HE LYS 33 -23.101 0.402 -4.852 276 1HZ LYS 33 1HZ LYS 33 -24.815 0.508 -2.465 277 2HZ LYS 33 2HZ LYS 33 -25.108 1.185 -3.933 278 3HZ LYS 33 3HZ LYS 33 -25.087 -0.454 -3.781 279 H GLU 34 H GLU 34 -19.028 2.085 -4.906 280 HA GLU 34 HA GLU 34 -19.158 0.517 -7.309 281 1HB GLU 34 1HB GLU 34 -19.165 2.574 -8.564 282 2HB GLU 34 2HB GLU 34 -20.266 2.660 -7.180 283 1HG GLU 34 1HG GLU 34 -18.545 3.918 -5.933 284 2HG GLU 34 2HG GLU 34 -17.496 3.934 -7.352 285 H LEU 35 H LEU 35 -16.493 2.314 -5.794 286 HA LEU 35 HA LEU 35 -14.414 1.949 -7.627 287 1HB LEU 35 1HB LEU 35 -14.267 3.265 -5.586 288 2HB LEU 35 2HB LEU 35 -14.510 1.833 -4.602 289 HG LEU 35 HG LEU 35 -12.307 2.540 -4.356 290 1HD1 LEU 35 1HD1 LEU 35 -12.588 0.051 -4.573 291 2HD1 LEU 35 2HD1 LEU 35 -11.921 0.194 -6.224 292 3HD1 LEU 35 3HD1 LEU 35 -10.963 0.674 -4.831 293 1HD2 LEU 35 1HD2 LEU 35 -12.014 2.552 -7.365 294 2HD2 LEU 35 2HD2 LEU 35 -12.044 3.944 -6.255 295 3HD2 LEU 35 3HD2 LEU 35 -10.692 2.814 -6.203 296 H ILE 36 H ILE 36 -15.426 -0.349 -4.948 297 HA ILE 36 HA ILE 36 -13.569 -2.318 -5.823 298 HB ILE 36 HB ILE 36 -16.055 -2.571 -4.108 299 1HG1 ILE 36 1HG1 ILE 36 -13.049 -2.687 -3.509 300 2HG1 ILE 36 2HG1 ILE 36 -14.070 -1.275 -3.251 301 1HG2 ILE 36 1HG2 ILE 36 -13.952 -4.673 -4.817 302 2HG2 ILE 36 2HG2 ILE 36 -15.131 -4.844 -3.512 303 3HG2 ILE 36 3HG2 ILE 36 -15.688 -4.766 -5.176 304 1HD1 ILE 36 1HD1 ILE 36 -15.478 -2.658 -1.667 305 2HD1 ILE 36 2HD1 ILE 36 -14.228 -3.918 -1.764 306 3HD1 ILE 36 3HD1 ILE 36 -13.811 -2.323 -1.142 307 H ASN 37 H ASN 37 -17.096 -2.093 -6.513 308 HA ASN 37 HA ASN 37 -17.224 -4.449 -8.073 309 1HB ASN 37 1HB ASN 37 -18.849 -1.887 -8.313 310 2HB ASN 37 2HB ASN 37 -19.160 -3.349 -9.272 311 1HD2 ASN 37 2HD2 ASN 37 -19.176 -2.041 -5.976 312 2HD2 ASN 37 1HD2 ASN 37 -20.247 -3.279 -5.329 313 H ASN 38 H ASN 38 -16.455 -1.100 -9.201 314 HA ASN 38 HA ASN 38 -16.267 -1.930 -11.972 315 1HB ASN 38 1HB ASN 38 -15.497 0.597 -10.454 316 2HB ASN 38 2HB ASN 38 -15.148 0.349 -12.171 317 1HD2 ASN 38 1HD2 ASN 38 -17.786 0.653 -9.823 318 2HD2 ASN 38 2HD2 ASN 38 -19.027 1.029 -11.025 319 H GLU 39 H GLU 39 -13.846 -1.124 -9.398 320 HA GLU 39 HA GLU 39 -11.724 -1.530 -11.331 321 1HB GLU 39 1HB GLU 39 -11.549 -1.087 -8.340 322 2HB GLU 39 2HB GLU 39 -10.224 -1.042 -9.501 323 1HG GLU 39 1HG GLU 39 -12.603 0.865 -9.463 324 2HG GLU 39 2HG GLU 39 -10.958 1.231 -8.942 325 H LEU 40 H LEU 40 -12.962 -3.456 -8.494 326 HA LEU 40 HA LEU 40 -10.941 -5.540 -9.162 327 1HB LEU 40 1HB LEU 40 -12.821 -5.242 -6.803 328 2HB LEU 40 2HB LEU 40 -11.946 -6.717 -7.192 329 HG LEU 40 HG LEU 40 -9.801 -5.672 -6.998 330 1HD1 LEU 40 1HD1 LEU 40 -11.365 -3.183 -6.196 331 2HD1 LEU 40 2HD1 LEU 40 -9.636 -3.416 -5.876 332 3HD1 LEU 40 3HD1 LEU 40 -10.209 -3.345 -7.545 333 1HD2 LEU 40 1HD2 LEU 40 -11.632 -5.284 -4.598 334 2HD2 LEU 40 2HD2 LEU 40 -10.783 -6.775 -5.059 335 3HD2 LEU 40 3HD2 LEU 40 -9.860 -5.361 -4.532 336 H SER 41 H SER 41 -12.552 -5.115 -11.247 337 HA SER 41 HA SER 41 -15.108 -6.308 -11.346 338 1HB SER 41 1HB SER 41 -14.450 -6.330 -13.871 339 2HB SER 41 2HB SER 41 -14.427 -4.770 -13.029 340 HG SER 41 HG SER 41 -12.409 -4.759 -13.825 341 H HIS 42 H HIS 42 -11.885 -7.551 -12.110 342 HA HIS 42 HA HIS 42 -12.925 -10.326 -12.484 343 1HB HIS 42 1HB HIS 42 -11.277 -9.357 -14.075 344 2HB HIS 42 2HB HIS 42 -10.106 -9.212 -12.762 345 HD1 HIS 42 HD1 HIS 42 -11.211 -12.348 -11.753 346 HD2 HIS 42 HD2 HIS 42 -9.361 -10.949 -15.270 347 HE1 HIS 42 HE1 HIS 42 -10.067 -14.361 -12.836 348 H PHE 43 H PHE 43 -10.894 -8.333 -10.374 349 HA PHE 43 HA PHE 43 -9.725 -10.434 -8.929 350 1HB PHE 43 1HB PHE 43 -9.953 -7.469 -8.618 351 2HB PHE 43 2HB PHE 43 -9.602 -8.365 -7.157 352 HD1 PHE 43 HD1 PHE 43 -8.405 -8.952 -10.709 353 HD2 PHE 43 HD2 PHE 43 -7.376 -7.973 -6.636 354 HE1 PHE 43 HE1 PHE 43 -6.004 -9.190 -11.249 355 HE2 PHE 43 HE2 PHE 43 -4.995 -8.428 -7.124 356 HZ PHE 43 HZ PHE 43 -4.291 -8.949 -9.462 357 H LEU 44 H LEU 44 -12.849 -8.768 -8.302 358 HA LEU 44 HA LEU 44 -13.344 -10.718 -6.142 359 1HB LEU 44 1HB LEU 44 -12.761 -8.051 -5.640 360 2HB LEU 44 2HB LEU 44 -14.502 -7.968 -5.908 361 HG LEU 44 HG LEU 44 -14.611 -9.933 -4.231 362 1HD1 LEU 44 1HD1 LEU 44 -11.796 -8.907 -3.635 363 2HD1 LEU 44 2HD1 LEU 44 -12.702 -10.056 -2.627 364 3HD1 LEU 44 3HD1 LEU 44 -12.181 -10.521 -4.253 365 1HD2 LEU 44 1HD2 LEU 44 -14.481 -8.358 -2.282 366 2HD2 LEU 44 2HD2 LEU 44 -15.310 -7.629 -3.671 367 3HD2 LEU 44 3HD2 LEU 44 -13.629 -7.188 -3.311 368 H GLU 45 H GLU 45 -15.755 -10.774 -5.672 369 HA GLU 45 HA GLU 45 -17.216 -10.956 -8.218 370 1HB GLU 45 1HB GLU 45 -17.180 -12.525 -5.942 371 2HB GLU 45 2HB GLU 45 -18.617 -11.547 -5.655 372 1HG GLU 45 1HG GLU 45 -18.055 -13.176 -8.185 373 2HG GLU 45 2HG GLU 45 -18.987 -13.754 -6.806 374 H GLU 46 H GLU 46 -19.261 -9.884 -8.501 375 HA GLU 46 HA GLU 46 -19.484 -7.171 -7.862 376 1HB GLU 46 1HB GLU 46 -20.640 -8.370 -9.717 377 2HB GLU 46 2HB GLU 46 -21.662 -9.205 -8.530 378 1HG GLU 46 1HG GLU 46 -22.601 -7.010 -7.815 379 2HG GLU 46 2HG GLU 46 -21.554 -6.188 -8.988 380 H ILE 47 H ILE 47 -20.370 -6.116 -6.177 381 HA ILE 47 HA ILE 47 -20.477 -7.559 -3.688 382 HB ILE 47 HB ILE 47 -21.042 -4.638 -4.194 383 1HG1 ILE 47 1HG1 ILE 47 -18.771 -5.267 -4.967 384 2HG1 ILE 47 2HG1 ILE 47 -18.741 -4.212 -3.543 385 1HG2 ILE 47 1HG2 ILE 47 -20.373 -4.411 -1.789 386 2HG2 ILE 47 2HG2 ILE 47 -21.922 -5.208 -2.039 387 3HG2 ILE 47 3HG2 ILE 47 -20.495 -6.177 -1.629 388 1HD1 ILE 47 1HD1 ILE 47 -17.068 -5.953 -3.387 389 2HD1 ILE 47 2HD1 ILE 47 -18.261 -6.190 -2.107 390 3HD1 ILE 47 3HD1 ILE 47 -18.273 -7.228 -3.559 391 H LYS 48 H LYS 48 -22.955 -5.362 -5.050 392 HA LYS 48 HA LYS 48 -25.157 -5.151 -4.727 393 1HB LYS 48 1HB LYS 48 -25.385 -7.403 -5.613 394 2HB LYS 48 2HB LYS 48 -25.177 -8.102 -3.997 395 1HG LYS 48 1HG LYS 48 -27.224 -7.068 -3.193 396 2HG LYS 48 2HG LYS 48 -27.395 -6.146 -4.695 397 1HD LYS 48 1HD LYS 48 -28.915 -8.048 -4.613 398 2HD LYS 48 2HD LYS 48 -27.776 -8.201 -5.967 399 1HE LYS 48 1HE LYS 48 -26.447 -9.845 -4.702 400 2HE LYS 48 2HE LYS 48 -27.459 -9.594 -3.262 401 1HZ LYS 48 1HZ LYS 48 -28.358 -10.688 -5.833 402 2HZ LYS 48 2HZ LYS 48 -28.067 -11.551 -4.460 403 3HZ LYS 48 3HZ LYS 48 -29.303 -10.464 -4.501 404 H GLU 49 H GLU 49 -23.942 -7.188 -1.986 405 HA GLU 49 HA GLU 49 -25.861 -6.109 -0.156 406 1HB GLU 49 1HB GLU 49 -23.246 -7.597 0.355 407 2HB GLU 49 2HB GLU 49 -24.533 -7.307 1.540 408 1HG GLU 49 1HG GLU 49 -24.788 -8.982 -0.997 409 2HG GLU 49 2HG GLU 49 -24.593 -9.573 0.660 410 H GLN 50 H GLN 50 -25.499 -3.786 -0.518 411 HA GLN 50 HA GLN 50 -23.303 -2.303 0.070 412 1HB GLN 50 1HB GLN 50 -25.424 -1.371 -0.614 413 2HB GLN 50 2HB GLN 50 -26.067 -1.558 1.032 414 1HG GLN 50 1HG GLN 50 -24.422 -0.023 1.930 415 2HG GLN 50 2HG GLN 50 -23.479 -0.042 0.435 416 1HE2 GLN 50 1HE2 GLN 50 -25.188 2.079 2.118 417 2HE2 GLN 50 2HE2 GLN 50 -25.935 2.959 0.797 418 H GLU 51 H GLU 51 -25.272 -4.047 2.385 419 HA GLU 51 HA GLU 51 -24.327 -2.992 4.842 420 1HB GLU 51 1HB GLU 51 -25.194 -5.869 4.239 421 2HB GLU 51 2HB GLU 51 -25.114 -5.070 5.805 422 1HG GLU 51 1HG GLU 51 -27.393 -5.041 5.264 423 2HG GLU 51 2HG GLU 51 -26.843 -3.392 4.951 424 H VAL 52 H VAL 52 -23.026 -5.570 2.679 425 HA VAL 52 HA VAL 52 -21.047 -6.368 4.666 426 HB VAL 52 HB VAL 52 -21.379 -7.210 1.760 427 1HG1 VAL 52 1HG1 VAL 52 -19.842 -9.115 2.622 428 2HG1 VAL 52 2HG1 VAL 52 -19.056 -7.549 2.385 429 3HG1 VAL 52 3HG1 VAL 52 -19.507 -8.093 4.015 430 1HG2 VAL 52 1HG2 VAL 52 -23.236 -7.896 3.347 431 2HG2 VAL 52 2HG2 VAL 52 -22.287 -9.260 2.744 432 3HG2 VAL 52 3HG2 VAL 52 -22.013 -8.641 4.387 433 H VAL 53 H VAL 53 -21.043 -4.457 1.598 434 HA VAL 53 HA VAL 53 -18.230 -3.946 1.721 435 HB VAL 53 HB VAL 53 -18.997 -3.402 -0.299 436 1HG1 VAL 53 1HG1 VAL 53 -20.810 -1.898 -0.870 437 2HG1 VAL 53 2HG1 VAL 53 -21.389 -3.226 0.126 438 3HG1 VAL 53 3HG1 VAL 53 -21.150 -1.595 0.841 439 1HG2 VAL 53 1HG2 VAL 53 -18.849 -0.657 1.037 440 2HG2 VAL 53 2HG2 VAL 53 -17.468 -1.726 0.646 441 3HG2 VAL 53 3HG2 VAL 53 -18.487 -1.067 -0.645 442 H ASP 54 H ASP 54 -21.010 -2.174 3.156 443 HA ASP 54 HA ASP 54 -19.560 -0.171 4.485 444 1HB ASP 54 1HB ASP 54 -22.001 -0.222 4.354 445 2HB ASP 54 2HB ASP 54 -22.058 -1.619 5.437 446 H LYS 55 H LYS 55 -20.392 -3.510 5.638 447 HA LYS 55 HA LYS 55 -19.119 -3.298 8.129 448 1HB LYS 55 1HB LYS 55 -20.677 -5.100 7.450 449 2HB LYS 55 2HB LYS 55 -19.426 -5.777 6.393 450 1HG LYS 55 1HG LYS 55 -17.953 -6.100 8.403 451 2HG LYS 55 2HG LYS 55 -19.271 -5.493 9.426 452 1HD LYS 55 1HD LYS 55 -20.720 -7.353 8.687 453 2HD LYS 55 2HD LYS 55 -19.472 -7.901 7.549 454 1HE LYS 55 1HE LYS 55 -17.910 -8.305 9.442 455 2HE LYS 55 2HE LYS 55 -19.164 -7.790 10.585 456 1HZ LYS 55 1HZ LYS 55 -19.365 -10.074 8.744 457 2HZ LYS 55 2HZ LYS 55 -19.081 -10.162 10.366 458 3HZ LYS 55 3HZ LYS 55 -20.526 -9.596 9.810 459 H VAL 56 H VAL 56 -17.679 -4.602 5.024 460 HA VAL 56 HA VAL 56 -15.212 -5.189 6.344 461 HB VAL 56 HB VAL 56 -14.150 -5.518 4.256 462 1HG1 VAL 56 1HG1 VAL 56 -15.677 -7.275 5.091 463 2HG1 VAL 56 2HG1 VAL 56 -16.982 -6.618 4.077 464 3HG1 VAL 56 3HG1 VAL 56 -15.515 -7.268 3.326 465 1HG2 VAL 56 1HG2 VAL 56 -15.344 -5.202 2.084 466 2HG2 VAL 56 2HG2 VAL 56 -16.569 -4.277 2.970 467 3HG2 VAL 56 3HG2 VAL 56 -14.900 -3.684 2.872 468 H MET 57 H MET 57 -16.249 -2.253 4.478 469 HA MET 57 HA MET 57 -13.672 -1.048 4.765 470 1HB MET 57 1HB MET 57 -14.526 0.903 3.916 471 2HB MET 57 2HB MET 57 -15.463 -0.365 3.132 472 1HG MET 57 1HG MET 57 -17.310 0.041 4.703 473 2HG MET 57 2HG MET 57 -16.408 1.347 5.488 474 1HE MET 57 1HE MET 57 -16.349 4.125 2.818 475 2HE MET 57 2HE MET 57 -15.787 3.586 4.415 476 3HE MET 57 3HE MET 57 -15.104 2.873 2.931 477 H GLU 58 H GLU 58 -16.625 -0.899 6.822 478 HA GLU 58 HA GLU 58 -15.701 0.891 8.770 479 1HB GLU 58 1HB GLU 58 -17.986 0.090 8.680 480 2HB GLU 58 2HB GLU 58 -17.483 -1.561 9.086 481 1HG GLU 58 1HG GLU 58 -16.752 -0.864 11.299 482 2HG GLU 58 2HG GLU 58 -16.968 0.839 10.874 483 H THR 59 H THR 59 -15.229 -2.633 8.522 484 HA THR 59 HA THR 59 -13.650 -2.988 10.815 485 HB THR 59 HB THR 59 -14.426 -4.557 8.534 486 HG1 THR 59 HG1 THR 59 -14.146 -6.177 10.029 487 1HG2 THR 59 1HG2 THR 59 -12.562 -6.091 8.289 488 2HG2 THR 59 2HG2 THR 59 -12.106 -4.502 7.690 489 3HG2 THR 59 3HG2 THR 59 -11.520 -5.055 9.280 490 H LEU 60 H LEU 60 -12.708 -1.430 7.794 491 HA LEU 60 HA LEU 60 -9.853 -1.300 8.707 492 1HB LEU 60 1HB LEU 60 -11.042 -0.549 6.014 493 2HB LEU 60 2HB LEU 60 -9.332 -0.641 6.451 494 HG LEU 60 HG LEU 60 -11.257 -2.989 6.241 495 1HD1 LEU 60 1HD1 LEU 60 -9.789 -3.661 4.389 496 2HD1 LEU 60 2HD1 LEU 60 -10.545 -2.078 4.112 497 3HD1 LEU 60 3HD1 LEU 60 -8.834 -2.175 4.600 498 1HD2 LEU 60 1HD2 LEU 60 -9.675 -3.438 8.070 499 2HD2 LEU 60 2HD2 LEU 60 -9.232 -4.394 6.655 500 3HD2 LEU 60 3HD2 LEU 60 -8.313 -2.924 7.050 501 H ASP 61 H ASP 61 -12.606 0.419 9.231 502 HA ASP 61 HA ASP 61 -11.722 3.019 8.284 503 1HB ASP 61 1HB ASP 61 -14.079 2.490 8.354 504 2HB ASP 61 2HB ASP 61 -14.006 2.226 10.109 505 H SER 62 H SER 62 -9.553 2.690 9.388 506 HA SER 62 HA SER 62 -9.262 3.084 12.177 507 1HB SER 62 1HB SER 62 -7.395 4.175 10.041 508 2HB SER 62 2HB SER 62 -7.022 3.778 11.723 509 HG SER 62 HG SER 62 -7.412 2.056 9.550 510 H ASP 63 H ASP 63 -10.351 5.318 9.713 511 HA ASP 63 HA ASP 63 -9.773 7.758 11.178 512 1HB ASP 63 1HB ASP 63 -11.875 7.310 9.012 513 2HB ASP 63 2HB ASP 63 -11.157 8.832 9.522 514 H GLY 64 H GLY 64 -12.118 5.218 11.535 515 1HA GLY 64 1HA GLY 64 -14.103 4.990 12.590 516 2HA GLY 64 2HA GLY 64 -13.455 6.144 13.764 517 H ASP 65 H ASP 65 -14.233 6.807 10.321 518 HA ASP 65 HA ASP 65 -16.172 8.891 11.251 519 1HB ASP 65 1HB ASP 65 -13.907 9.774 10.631 520 2HB ASP 65 2HB ASP 65 -14.144 9.139 9.000 521 H GLY 66 H GLY 66 -16.260 5.991 9.947 522 1HA GLY 66 1HA GLY 66 -17.876 4.977 8.740 523 2HA GLY 66 2HA GLY 66 -18.607 6.530 8.285 524 H GLU 67 H GLU 67 -16.708 7.855 7.021 525 HA GLU 67 HA GLU 67 -16.203 6.538 4.512 526 1HB GLU 67 1HB GLU 67 -14.813 8.492 3.970 527 2HB GLU 67 2HB GLU 67 -16.394 8.921 4.607 528 1HG GLU 67 1HG GLU 67 -15.016 10.464 5.626 529 2HG GLU 67 2HG GLU 67 -15.264 9.274 6.890 530 H CYS 68 H CYS 68 -14.042 6.037 3.640 531 HA CYS 68 HA CYS 68 -12.024 5.249 5.719 532 1HB CYS 68 1HB CYS 68 -12.997 3.721 3.286 533 2HB CYS 68 2HB CYS 68 -11.373 3.471 3.957 534 HG CYS 68 HG CYS 68 -12.733 1.594 4.965 535 H ASP 69 H ASP 69 -10.137 6.234 5.509 536 HA ASP 69 HA ASP 69 -9.751 8.218 3.468 537 1HB ASP 69 1HB ASP 69 -9.032 8.570 5.746 538 2HB ASP 69 2HB ASP 69 -7.956 7.153 5.687 539 H PHE 70 H PHE 70 -7.873 8.334 2.092 540 HA PHE 70 HA PHE 70 -7.337 6.307 0.351 541 1HB PHE 70 1HB PHE 70 -6.643 8.677 0.151 542 2HB PHE 70 2HB PHE 70 -5.369 8.405 1.332 543 HD1 PHE 70 HD1 PHE 70 -3.205 7.597 0.531 544 HD2 PHE 70 HD2 PHE 70 -6.698 7.267 -1.940 545 HE1 PHE 70 HE1 PHE 70 -1.802 6.870 -1.357 546 HE2 PHE 70 HE2 PHE 70 -5.302 6.513 -3.850 547 HZ PHE 70 HZ PHE 70 -2.865 6.279 -3.566 548 H GLN 71 H GLN 71 -5.551 6.855 3.432 549 HA GLN 71 HA GLN 71 -3.651 4.768 3.250 550 1HB GLN 71 1HB GLN 71 -5.202 6.009 5.550 551 2HB GLN 71 2HB GLN 71 -4.051 4.705 5.836 552 1HG GLN 71 1HG GLN 71 -3.236 7.206 4.311 553 2HG GLN 71 2HG GLN 71 -3.217 7.114 6.075 554 1HE2 GLN 71 1HE2 GLN 71 -1.318 6.370 3.242 555 2HE2 GLN 71 2HE2 GLN 71 -0.155 5.364 4.101 556 H GLU 72 H GLU 72 -7.073 4.593 4.371 557 HA GLU 72 HA GLU 72 -6.803 1.816 5.186 558 1HB GLU 72 1HB GLU 72 -9.359 3.346 4.648 559 2HB GLU 72 2HB GLU 72 -9.134 1.928 5.683 560 1HG GLU 72 1HG GLU 72 -8.363 4.817 6.173 561 2HG GLU 72 2HG GLU 72 -9.331 3.752 7.177 562 H PHE 73 H PHE 73 -8.054 3.562 2.369 563 HA PHE 73 HA PHE 73 -8.943 1.329 0.814 564 1HB PHE 73 1HB PHE 73 -9.500 3.327 -0.108 565 2HB PHE 73 2HB PHE 73 -7.980 4.099 0.281 566 HD1 PHE 73 HD1 PHE 73 -6.119 4.121 -1.281 567 HD2 PHE 73 HD2 PHE 73 -9.720 1.923 -2.192 568 HE1 PHE 73 HE1 PHE 73 -5.397 3.907 -3.641 569 HE2 PHE 73 HE2 PHE 73 -9.048 1.865 -4.588 570 HZ PHE 73 HZ PHE 73 -6.892 2.834 -5.307 571 H MET 74 H MET 74 -5.652 2.844 1.005 572 HA MET 74 HA MET 74 -4.463 0.860 -0.628 573 1HB MET 74 1HB MET 74 -3.212 2.742 1.392 574 2HB MET 74 2HB MET 74 -2.310 1.597 0.395 575 1HG MET 74 1HG MET 74 -3.637 2.670 -1.632 576 2HG MET 74 2HG MET 74 -3.918 3.990 -0.493 577 1HE MET 74 1HE MET 74 0.130 2.752 -2.291 578 2HE MET 74 2HE MET 74 -0.629 1.699 -1.080 579 3HE MET 74 3HE MET 74 -1.426 1.976 -2.644 580 H ALA 75 H ALA 75 -5.037 0.863 2.867 581 HA ALA 75 HA ALA 75 -3.596 -1.542 3.418 582 1HB ALA 75 1HB ALA 75 -4.491 -0.032 5.170 583 2HB ALA 75 2HB ALA 75 -6.136 -0.597 4.802 584 3HB ALA 75 3HB ALA 75 -4.930 -1.734 5.420 585 H PHE 76 H PHE 76 -6.964 -1.037 2.290 586 HA PHE 76 HA PHE 76 -7.728 -3.819 2.297 587 1HB PHE 76 1HB PHE 76 -9.410 -2.093 2.148 588 2HB PHE 76 2HB PHE 76 -8.736 -1.483 0.655 589 HD1 PHE 76 HD1 PHE 76 -9.289 -2.400 -1.451 590 HD2 PHE 76 HD2 PHE 76 -10.557 -4.424 2.170 591 HE1 PHE 76 HE1 PHE 76 -10.816 -3.819 -2.770 592 HE2 PHE 76 HE2 PHE 76 -12.035 -5.865 0.819 593 HZ PHE 76 HZ PHE 76 -12.165 -5.575 -1.661 594 H VAL 77 H VAL 77 -6.488 -1.636 -0.264 595 HA VAL 77 HA VAL 77 -6.172 -3.530 -2.322 596 HB VAL 77 HB VAL 77 -4.604 -1.050 -1.603 597 1HG1 VAL 77 1HG1 VAL 77 -3.784 -1.084 -3.978 598 2HG1 VAL 77 2HG1 VAL 77 -3.110 -2.396 -3.010 599 3HG1 VAL 77 3HG1 VAL 77 -4.435 -2.726 -4.150 600 1HG2 VAL 77 1HG2 VAL 77 -7.023 -0.750 -2.265 601 2HG2 VAL 77 2HG2 VAL 77 -5.901 -0.014 -3.417 602 3HG2 VAL 77 3HG2 VAL 77 -6.671 -1.569 -3.793 603 H ALA 78 H ALA 78 -3.886 -2.728 0.376 604 HA ALA 78 HA ALA 78 -1.793 -4.372 -0.498 605 1HB ALA 78 1HB ALA 78 -1.557 -2.708 1.300 606 2HB ALA 78 2HB ALA 78 -2.527 -3.732 2.384 607 3HB ALA 78 3HB ALA 78 -0.961 -4.304 1.788 608 H MET 79 H MET 79 -4.477 -5.298 1.763 609 HA MET 79 HA MET 79 -3.534 -7.988 2.006 610 1HB MET 79 1HB MET 79 -5.783 -8.621 2.721 611 2HB MET 79 2HB MET 79 -5.115 -7.246 3.615 612 1HG MET 79 1HG MET 79 -6.584 -5.728 2.464 613 2HG MET 79 2HG MET 79 -7.115 -7.006 1.343 614 1HE MET 79 1HE MET 79 -8.562 -6.623 5.660 615 2HE MET 79 2HE MET 79 -6.844 -6.930 5.301 616 3HE MET 79 3HE MET 79 -7.599 -5.388 4.808 617 H ILE 80 H ILE 80 -5.841 -6.551 -0.334 618 HA ILE 80 HA ILE 80 -6.532 -8.989 -1.636 619 HB ILE 80 HB ILE 80 -6.405 -6.128 -2.662 620 1HG1 ILE 80 1HG1 ILE 80 -7.955 -6.584 -0.696 621 2HG1 ILE 80 2HG1 ILE 80 -8.659 -5.859 -2.138 622 1HG2 ILE 80 1HG2 ILE 80 -8.038 -6.892 -4.398 623 2HG2 ILE 80 2HG2 ILE 80 -6.407 -7.539 -4.592 624 3HG2 ILE 80 3HG2 ILE 80 -7.689 -8.573 -3.929 625 1HD1 ILE 80 1HD1 ILE 80 -8.859 -8.801 -1.380 626 2HD1 ILE 80 2HD1 ILE 80 -10.083 -7.552 -1.081 627 3HD1 ILE 80 3HD1 ILE 80 -9.675 -7.996 -2.747 628 H THR 81 H THR 81 -4.098 -6.543 -2.483 629 HA THR 81 HA THR 81 -3.002 -7.765 -4.766 630 HB THR 81 HB THR 81 -1.641 -5.976 -2.692 631 HG1 THR 81 HG1 THR 81 -3.473 -4.996 -3.512 632 1HG2 THR 81 1HG2 THR 81 -0.092 -5.334 -4.325 633 2HG2 THR 81 2HG2 THR 81 -0.161 -7.104 -4.543 634 3HG2 THR 81 3HG2 THR 81 -1.014 -6.031 -5.649 635 H THR 82 H THR 82 -2.038 -8.040 -1.272 636 HA THR 82 HA THR 82 0.154 -9.804 -1.753 637 HB THR 82 HB THR 82 -1.573 -9.588 0.741 638 HG1 THR 82 HG1 THR 82 -0.688 -7.616 0.190 639 1HG2 THR 82 1HG2 THR 82 -0.119 -11.601 0.754 640 2HG2 THR 82 2HG2 THR 82 1.279 -10.604 0.307 641 3HG2 THR 82 3HG2 THR 82 0.491 -10.387 1.881 642 H ALA 83 H ALA 83 -3.328 -10.491 -1.001 643 HA ALA 83 HA ALA 83 -3.069 -13.304 -0.987 644 1HB ALA 83 1HB ALA 83 -5.473 -13.350 -1.438 645 2HB ALA 83 2HB ALA 83 -5.074 -12.108 -0.232 646 3HB ALA 83 3HB ALA 83 -5.450 -11.638 -1.905 647 H CYS 84 H CYS 84 -3.770 -11.075 -3.726 648 HA CYS 84 HA CYS 84 -3.840 -13.027 -5.775 649 1HB CYS 84 1HB CYS 84 -4.532 -10.713 -6.106 650 2HB CYS 84 2HB CYS 84 -2.857 -10.147 -5.893 651 HG CYS 84 HG CYS 84 -1.864 -11.594 -7.865 652 H HIS 85 H HIS 85 -1.048 -11.265 -4.376 653 HA HIS 85 HA HIS 85 0.984 -12.251 -5.982 654 1HB HIS 85 1HB HIS 85 0.937 -10.605 -3.867 655 2HB HIS 85 2HB HIS 85 1.530 -12.038 -3.025 656 HD1 HIS 85 HD1 HIS 85 3.040 -9.164 -3.920 657 HD2 HIS 85 HD2 HIS 85 3.496 -13.015 -5.541 658 HE1 HIS 85 HE1 HIS 85 5.177 -9.145 -5.279 659 H GLU 86 H GLU 86 -0.581 -13.820 -3.156 660 HA GLU 86 HA GLU 86 1.102 -16.068 -2.966 661 1HB GLU 86 1HB GLU 86 -1.920 -16.079 -2.567 662 2HB GLU 86 2HB GLU 86 -0.771 -17.291 -2.014 663 1HG GLU 86 1HG GLU 86 0.435 -15.569 -0.658 664 2HG GLU 86 2HG GLU 86 -0.786 -14.377 -1.106 665 H PHE 87 H PHE 87 -1.593 -15.518 -5.284 666 HA PHE 87 HA PHE 87 -1.377 -18.195 -6.407 667 1HB PHE 87 1HB PHE 87 -3.138 -17.685 -7.583 668 2HB PHE 87 2HB PHE 87 -3.252 -16.194 -6.672 669 HD1 PHE 87 HD1 PHE 87 -1.614 -17.659 -9.753 670 HD2 PHE 87 HD2 PHE 87 -3.498 -14.209 -7.981 671 HE1 PHE 87 HE1 PHE 87 -1.542 -16.503 -11.931 672 HE2 PHE 87 HE2 PHE 87 -3.515 -13.097 -10.193 673 HZ PHE 87 HZ PHE 87 -2.500 -14.218 -12.164 674 H PHE 88 H PHE 88 -0.113 -14.983 -7.185 675 HA PHE 88 HA PHE 88 1.167 -15.633 -9.588 676 1HB PHE 88 1HB PHE 88 0.734 -13.352 -8.397 677 2HB PHE 88 2HB PHE 88 2.334 -13.603 -7.676 678 HD1 PHE 88 HD1 PHE 88 4.321 -13.238 -9.030 679 HD2 PHE 88 HD2 PHE 88 0.431 -13.295 -10.874 680 HE1 PHE 88 HE1 PHE 88 5.296 -12.300 -11.121 681 HE2 PHE 88 HE2 PHE 88 1.409 -12.365 -12.962 682 HZ PHE 88 HZ PHE 88 3.841 -11.873 -13.085 683 H GLU 89 H GLU 89 2.335 -15.976 -6.255 684 HA GLU 89 HA GLU 89 4.937 -17.084 -6.938 685 1HB GLU 89 1HB GLU 89 3.175 -17.310 -4.454 686 2HB GLU 89 2HB GLU 89 4.801 -17.987 -4.584 687 1HG GLU 89 1HG GLU 89 5.756 -15.745 -4.907 688 2HG GLU 89 2HG GLU 89 4.137 -15.038 -4.897 689 H HIS 90 H HIS 90 1.809 -18.540 -5.860 690 HA HIS 90 HA HIS 90 2.861 -21.224 -6.193 691 1HB HIS 90 1HB HIS 90 1.348 -20.542 -4.355 692 2HB HIS 90 2HB HIS 90 0.071 -20.207 -5.528 693 HD1 HIS 90 HD1 HIS 90 -1.647 -22.070 -4.843 694 HD2 HIS 90 HD2 HIS 90 2.295 -23.438 -5.481 695 HE1 HIS 90 HE1 HIS 90 -1.724 -24.606 -4.754 696 H GLU 91 H GLU 91 3.372 -20.687 -8.516 697 HA GLU 91 HA GLU 91 1.127 -21.203 -10.393 698 1HB GLU 91 1HB GLU 91 4.111 -20.798 -10.830 699 2HB GLU 91 2HB GLU 91 2.923 -21.036 -12.118 700 1HG GLU 91 1HG GLU 91 2.873 -18.745 -10.096 701 2HG GLU 91 2HG GLU 91 3.514 -18.625 -11.735 702 1H SER 1 1H SER 1 -10.243 -4.235 -15.334 703 2H SER 1 2H SER 1 -8.627 -4.039 -15.661 704 3H SER 1 3H SER 1 -9.139 -4.391 -14.131 705 HA SER 1 HA SER 1 -9.766 -1.966 -15.646 706 1HB SER 1 1HB SER 1 -10.290 -2.523 -12.739 707 2HB SER 1 2HB SER 1 -10.928 -1.166 -13.702 708 HG SER 1 HG SER 1 -12.517 -2.759 -13.462 709 H GLU 2 H GLU 2 -9.016 0.026 -14.250 710 HA GLU 2 HA GLU 2 -6.285 0.169 -14.600 711 1HB GLU 2 1HB GLU 2 -8.091 1.866 -12.815 712 2HB GLU 2 2HB GLU 2 -6.407 2.239 -13.199 713 1HG GLU 2 1HG GLU 2 -7.756 3.554 -14.640 714 2HG GLU 2 2HG GLU 2 -6.950 2.325 -15.618 715 H LEU 3 H LEU 3 -7.947 -0.144 -11.392 716 HA LEU 3 HA LEU 3 -5.514 -0.239 -9.910 717 1HB LEU 3 1HB LEU 3 -8.110 -1.597 -9.161 718 2HB LEU 3 2HB LEU 3 -6.732 -1.241 -8.104 719 HG LEU 3 HG LEU 3 -8.588 0.784 -9.404 720 1HD1 LEU 3 1HD1 LEU 3 -9.111 1.350 -7.086 721 2HD1 LEU 3 2HD1 LEU 3 -9.364 -0.388 -7.318 722 3HD1 LEU 3 3HD1 LEU 3 -7.908 0.190 -6.488 723 1HD2 LEU 3 1HD2 LEU 3 -6.009 1.253 -7.865 724 2HD2 LEU 3 2HD2 LEU 3 -6.395 1.810 -9.512 725 3HD2 LEU 3 3HD2 LEU 3 -7.248 2.497 -8.127 726 H GLU 4 H GLU 4 -7.330 -2.878 -11.544 727 HA GLU 4 HA GLU 4 -5.783 -5.013 -10.412 728 1HB GLU 4 1HB GLU 4 -7.282 -4.899 -13.047 729 2HB GLU 4 2HB GLU 4 -6.634 -6.355 -12.284 730 1HG GLU 4 1HG GLU 4 -8.060 -6.024 -10.310 731 2HG GLU 4 2HG GLU 4 -8.685 -4.524 -10.987 732 H LYS 5 H LYS 5 -5.398 -2.972 -13.342 733 HA LYS 5 HA LYS 5 -3.123 -4.441 -14.352 734 1HB LYS 5 1HB LYS 5 -3.998 -1.583 -14.863 735 2HB LYS 5 2HB LYS 5 -2.712 -2.419 -15.729 736 1HG LYS 5 1HG LYS 5 -5.672 -3.135 -15.690 737 2HG LYS 5 2HG LYS 5 -4.748 -2.499 -17.044 738 1HD LYS 5 1HD LYS 5 -4.487 -5.275 -15.781 739 2HD LYS 5 2HD LYS 5 -5.192 -4.867 -17.341 740 1HE LYS 5 1HE LYS 5 -2.982 -4.035 -18.145 741 2HE LYS 5 2HE LYS 5 -2.246 -4.512 -16.604 742 1HZ LYS 5 1HZ LYS 5 -2.889 -6.756 -17.045 743 2HZ LYS 5 2HZ LYS 5 -3.562 -6.328 -18.487 744 3HZ LYS 5 3HZ LYS 5 -1.939 -6.169 -18.256 745 H ALA 6 H ALA 6 -3.383 -1.451 -12.434 746 HA ALA 6 HA ALA 6 -0.644 -0.986 -11.962 747 1HB ALA 6 1HB ALA 6 -3.046 -0.591 -10.126 748 2HB ALA 6 2HB ALA 6 -1.457 0.176 -9.916 749 3HB ALA 6 3HB ALA 6 -2.453 0.553 -11.340 750 H VAL 7 H VAL 7 -2.939 -3.029 -10.133 751 HA VAL 7 HA VAL 7 -1.144 -3.993 -8.191 752 HB VAL 7 HB VAL 7 -3.800 -4.898 -9.279 753 1HG1 VAL 7 1HG1 VAL 7 -2.033 -6.498 -7.441 754 2HG1 VAL 7 2HG1 VAL 7 -3.797 -6.570 -7.362 755 3HG1 VAL 7 3HG1 VAL 7 -2.952 -7.032 -8.853 756 1HG2 VAL 7 1HG2 VAL 7 -2.834 -4.073 -6.510 757 2HG2 VAL 7 2HG2 VAL 7 -3.583 -2.968 -7.669 758 3HG2 VAL 7 3HG2 VAL 7 -4.519 -4.323 -7.014 759 H VAL 8 H VAL 8 -2.072 -5.662 -11.346 760 HA VAL 8 HA VAL 8 -0.260 -7.783 -10.701 761 HB VAL 8 HB VAL 8 -0.396 -8.545 -12.965 762 1HG1 VAL 8 1HG1 VAL 8 -2.160 -9.114 -11.348 763 2HG1 VAL 8 2HG1 VAL 8 -3.104 -7.699 -11.852 764 3HG1 VAL 8 3HG1 VAL 8 -2.796 -9.015 -12.998 765 1HG2 VAL 8 1HG2 VAL 8 -2.023 -6.070 -13.548 766 2HG2 VAL 8 2HG2 VAL 8 -0.420 -6.422 -14.219 767 3HG2 VAL 8 3HG2 VAL 8 -1.806 -7.441 -14.645 768 H ALA 9 H ALA 9 0.288 -4.658 -12.376 769 HA ALA 9 HA ALA 9 2.989 -5.205 -13.128 770 1HB ALA 9 1HB ALA 9 3.293 -2.780 -13.121 771 2HB ALA 9 2HB ALA 9 1.764 -3.225 -13.908 772 3HB ALA 9 3HB ALA 9 1.758 -2.555 -12.265 773 H LEU 10 H LEU 10 1.658 -3.801 -10.080 774 HA LEU 10 HA LEU 10 4.105 -3.416 -8.733 775 1HB LEU 10 1HB LEU 10 1.833 -2.494 -8.216 776 2HB LEU 10 2HB LEU 10 1.321 -4.089 -7.662 777 HG LEU 10 HG LEU 10 2.915 -3.967 -5.791 778 1HD1 LEU 10 1HD1 LEU 10 4.010 -1.763 -5.297 779 2HD1 LEU 10 2HD1 LEU 10 4.654 -2.517 -6.761 780 3HD1 LEU 10 3HD1 LEU 10 3.496 -1.168 -6.884 781 1HD2 LEU 10 1HD2 LEU 10 1.050 -1.576 -6.180 782 2HD2 LEU 10 2HD2 LEU 10 0.639 -3.146 -5.458 783 3HD2 LEU 10 3HD2 LEU 10 1.760 -2.039 -4.632 784 H ILE 11 H ILE 11 1.895 -6.218 -8.688 785 HA ILE 11 HA ILE 11 3.441 -7.871 -6.953 786 HB ILE 11 HB ILE 11 1.410 -8.430 -9.139 787 1HG1 ILE 11 1HG1 ILE 11 1.281 -8.645 -6.089 788 2HG1 ILE 11 2HG1 ILE 11 0.704 -7.263 -7.028 789 1HG2 ILE 11 1HG2 ILE 11 2.848 -10.435 -8.998 790 2HG2 ILE 11 2HG2 ILE 11 2.606 -10.479 -7.242 791 3HG2 ILE 11 3HG2 ILE 11 1.253 -10.755 -8.350 792 1HD1 ILE 11 1HD1 ILE 11 -1.195 -8.589 -6.521 793 2HD1 ILE 11 2HD1 ILE 11 -0.867 -8.827 -8.248 794 3HD1 ILE 11 3HD1 ILE 11 -0.419 -10.080 -7.062 795 H ASP 12 H ASP 12 3.367 -7.715 -10.571 796 HA ASP 12 HA ASP 12 5.235 -9.791 -10.922 797 1HB ASP 12 1HB ASP 12 3.753 -9.071 -12.711 798 2HB ASP 12 2HB ASP 12 4.513 -7.470 -12.753 799 H VAL 13 H VAL 13 5.770 -6.244 -10.991 800 HA VAL 13 HA VAL 13 8.538 -6.282 -11.591 801 HB VAL 13 HB VAL 13 6.810 -4.327 -9.995 802 1HG1 VAL 13 1HG1 VAL 13 8.635 -2.674 -10.416 803 2HG1 VAL 13 2HG1 VAL 13 9.110 -3.932 -9.270 804 3HG1 VAL 13 3HG1 VAL 13 9.684 -4.000 -10.956 805 1HG2 VAL 13 1HG2 VAL 13 6.864 -3.059 -12.085 806 2HG2 VAL 13 2HG2 VAL 13 8.054 -4.181 -12.789 807 3HG2 VAL 13 3HG2 VAL 13 6.390 -4.711 -12.510 808 H PHE 14 H PHE 14 6.844 -6.202 -8.436 809 HA PHE 14 HA PHE 14 9.140 -6.371 -6.796 810 1HB PHE 14 1HB PHE 14 6.862 -5.822 -6.015 811 2HB PHE 14 2HB PHE 14 6.348 -7.466 -6.347 812 HD1 PHE 14 HD1 PHE 14 8.145 -5.328 -3.968 813 HD2 PHE 14 HD2 PHE 14 7.429 -9.441 -5.089 814 HE1 PHE 14 HE1 PHE 14 8.729 -6.084 -1.679 815 HE2 PHE 14 HE2 PHE 14 8.116 -10.163 -2.881 816 HZ PHE 14 HZ PHE 14 8.591 -8.487 -1.080 817 H HIS 15 H HIS 15 7.050 -9.024 -8.094 818 HA HIS 15 HA HIS 15 8.304 -11.205 -6.917 819 1HB HIS 15 1HB HIS 15 6.171 -11.113 -8.238 820 2HB HIS 15 2HB HIS 15 7.134 -11.161 -9.715 821 HD1 HIS 15 HD1 HIS 15 7.559 -13.610 -10.543 822 HD2 HIS 15 HD2 HIS 15 6.338 -13.262 -6.531 823 HE1 HIS 15 HE1 HIS 15 6.948 -15.958 -9.753 824 H GLN 16 H GLN 16 8.977 -9.666 -10.049 825 HA GLN 16 HA GLN 16 11.161 -11.189 -10.912 826 1HB GLN 16 1HB GLN 16 10.109 -9.881 -12.439 827 2HB GLN 16 2HB GLN 16 10.106 -8.426 -11.491 828 1HG GLN 16 1HG GLN 16 12.647 -9.655 -12.654 829 2HG GLN 16 2HG GLN 16 11.615 -8.537 -13.547 830 1HE2 GLN 16 1HE2 GLN 16 11.126 -6.972 -10.765 831 2HE2 GLN 16 2HE2 GLN 16 12.589 -6.026 -10.763 832 H TYR 17 H TYR 17 11.251 -8.310 -8.708 833 HA TYR 17 HA TYR 17 14.165 -8.535 -8.417 834 1HB TYR 17 1HB TYR 17 12.064 -7.088 -6.774 835 2HB TYR 17 2HB TYR 17 13.791 -7.042 -6.439 836 HD1 TYR 17 HD1 TYR 17 15.371 -6.328 -8.410 837 HD2 TYR 17 HD2 TYR 17 11.203 -5.305 -8.074 838 HE1 TYR 17 HE1 TYR 17 15.705 -4.425 -9.980 839 HE2 TYR 17 HE2 TYR 17 11.549 -3.400 -9.619 840 HH TYR 17 HH TYR 17 13.010 -2.329 -11.060 841 H SER 18 H SER 18 11.461 -9.323 -6.231 842 HA SER 18 HA SER 18 13.006 -10.326 -4.116 843 1HB SER 18 1HB SER 18 10.850 -11.369 -3.359 844 2HB SER 18 2HB SER 18 10.749 -9.637 -3.734 845 HG SER 18 HG SER 18 9.842 -10.194 -5.733 846 H GLY 19 H GLY 19 12.041 -12.023 -7.068 847 1HA GLY 19 1HA GLY 19 12.410 -14.703 -6.192 848 2HA GLY 19 2HA GLY 19 12.683 -14.074 -7.827 849 H ARG 20 H ARG 20 14.708 -12.068 -6.861 850 HA ARG 20 HA ARG 20 16.935 -13.859 -7.310 851 1HB ARG 20 1HB ARG 20 16.979 -10.853 -6.901 852 2HB ARG 20 2HB ARG 20 18.212 -11.886 -7.638 853 1HG ARG 20 1HG ARG 20 16.063 -12.599 -9.167 854 2HG ARG 20 2HG ARG 20 15.522 -11.002 -8.698 855 1HD ARG 20 1HD ARG 20 18.281 -11.478 -9.899 856 2HD ARG 20 2HD ARG 20 16.861 -11.200 -10.889 857 HE ARG 20 HE ARG 20 18.304 -9.236 -9.269 858 1HH1 ARG 20 1HH1 ARG 20 15.040 -9.906 -10.540 859 2HH1 ARG 20 2HH1 ARG 20 14.915 -8.349 -11.321 860 1HH2 ARG 20 2HH2 ARG 20 17.838 -7.018 -9.890 861 2HH2 ARG 20 1HH2 ARG 20 16.373 -6.690 -10.772 862 H GLU 21 H GLU 21 16.073 -11.586 -4.637 863 HA GLU 21 HA GLU 21 17.274 -13.533 -2.774 864 1HB GLU 21 1HB GLU 21 18.103 -10.621 -2.675 865 2HB GLU 21 2HB GLU 21 18.461 -11.867 -1.479 866 1HG GLU 21 1HG GLU 21 19.734 -13.126 -3.239 867 2HG GLU 21 2HG GLU 21 19.457 -11.780 -4.359 868 H GLY 22 H GLY 22 15.415 -14.038 -1.913 869 1HA GLY 22 1HA GLY 22 14.269 -13.386 0.230 870 2HA GLY 22 2HA GLY 22 13.671 -11.967 -0.623 871 H ASP 23 H ASP 23 14.072 -15.380 -1.513 872 HA ASP 23 HA ASP 23 12.690 -16.748 -2.746 873 1HB ASP 23 1HB ASP 23 12.916 -17.445 -0.378 874 2HB ASP 23 2HB ASP 23 11.435 -16.555 0.019 875 H LYS 24 H LYS 24 11.880 -14.499 -3.870 876 HA LYS 24 HA LYS 24 10.209 -13.506 -4.978 877 1HB LYS 24 1HB LYS 24 8.586 -14.931 -6.037 878 2HB LYS 24 2HB LYS 24 10.204 -15.610 -6.097 879 1HG LYS 24 1HG LYS 24 9.666 -17.259 -4.398 880 2HG LYS 24 2HG LYS 24 8.090 -16.499 -4.093 881 1HD LYS 24 1HD LYS 24 7.370 -17.040 -6.386 882 2HD LYS 24 2HD LYS 24 8.965 -17.721 -6.755 883 1HE LYS 24 1HE LYS 24 8.653 -19.459 -5.031 884 2HE LYS 24 2HE LYS 24 7.087 -18.765 -4.580 885 1HZ LYS 24 1HZ LYS 24 7.750 -19.885 -7.216 886 2HZ LYS 24 2HZ LYS 24 6.869 -20.637 -6.047 887 3HZ LYS 24 3HZ LYS 24 6.279 -19.288 -6.773 888 H HIS 25 H HIS 25 9.892 -13.436 -1.966 889 HA HIS 25 HA HIS 25 7.286 -12.051 -2.176 890 1HB HIS 25 1HB HIS 25 6.902 -14.426 -1.333 891 2HB HIS 25 2HB HIS 25 7.698 -13.918 0.156 892 HD1 HIS 25 HD1 HIS 25 6.079 -12.645 1.855 893 HD2 HIS 25 HD2 HIS 25 4.740 -12.699 -2.138 894 HE1 HIS 25 HE1 HIS 25 3.739 -11.648 1.851 895 H LYS 26 H LYS 26 10.516 -11.977 -1.134 896 HA LYS 26 HA LYS 26 9.957 -9.612 0.513 897 1HB LYS 26 1HB LYS 26 12.119 -11.604 1.254 898 2HB LYS 26 2HB LYS 26 11.433 -10.286 2.221 899 1HG LYS 26 1HG LYS 26 9.266 -11.650 2.307 900 2HG LYS 26 2HG LYS 26 10.162 -12.961 1.517 901 1HD LYS 26 1HD LYS 26 11.797 -12.982 3.385 902 2HD LYS 26 2HD LYS 26 10.953 -11.625 4.148 903 1HE LYS 26 1HE LYS 26 10.337 -13.699 5.237 904 2HE LYS 26 2HE LYS 26 8.923 -13.006 4.423 905 1HZ LYS 26 1HZ LYS 26 9.120 -15.362 4.070 906 2HZ LYS 26 2HZ LYS 26 9.281 -14.566 2.638 907 3HZ LYS 26 3HZ LYS 26 10.612 -15.185 3.391 908 H LEU 27 H LEU 27 11.830 -8.211 0.690 909 HA LEU 27 HA LEU 27 13.685 -8.401 -1.670 910 1HB LEU 27 1HB LEU 27 12.379 -6.104 -0.188 911 2HB LEU 27 2HB LEU 27 13.730 -5.840 -1.264 912 HG LEU 27 HG LEU 27 11.056 -7.087 -2.039 913 1HD1 LEU 27 1HD1 LEU 27 12.183 -4.293 -2.501 914 2HD1 LEU 27 2HD1 LEU 27 10.615 -4.877 -3.094 915 3HD1 LEU 27 3HD1 LEU 27 10.893 -4.696 -1.349 916 1HD2 LEU 27 1HD2 LEU 27 12.851 -7.779 -3.616 917 2HD2 LEU 27 2HD2 LEU 27 11.728 -6.645 -4.368 918 3HD2 LEU 27 3HD2 LEU 27 13.312 -6.069 -3.818 919 H LYS 28 H LYS 28 15.615 -9.241 -0.856 920 HA LYS 28 HA LYS 28 16.620 -8.395 1.702 921 1HB LYS 28 1HB LYS 28 17.324 -10.417 0.430 922 2HB LYS 28 2HB LYS 28 18.264 -9.376 -0.655 923 1HG LYS 28 1HG LYS 28 19.806 -8.812 1.018 924 2HG LYS 28 2HG LYS 28 18.636 -9.086 2.330 925 1HD LYS 28 1HD LYS 28 18.706 -11.540 1.877 926 2HD LYS 28 2HD LYS 28 19.979 -11.250 0.674 927 1HE LYS 28 1HE LYS 28 20.967 -11.954 2.783 928 2HE LYS 28 2HE LYS 28 21.411 -10.263 2.481 929 1HZ LYS 28 1HZ LYS 28 20.735 -10.681 4.742 930 2HZ LYS 28 2HZ LYS 28 19.704 -9.620 4.023 931 3HZ LYS 28 3HZ LYS 28 19.247 -11.188 4.248 932 H LYS 29 H LYS 29 18.524 -6.769 1.957 933 HA LYS 29 HA LYS 29 17.699 -4.316 0.895 934 1HB LYS 29 1HB LYS 29 19.732 -3.329 1.857 935 2HB LYS 29 2HB LYS 29 18.846 -4.334 2.975 936 1HG LYS 29 1HG LYS 29 20.477 -6.186 2.653 937 2HG LYS 29 2HG LYS 29 21.371 -5.191 1.480 938 1HD LYS 29 1HD LYS 29 21.781 -3.483 3.213 939 2HD LYS 29 2HD LYS 29 20.802 -4.398 4.374 940 1HE LYS 29 1HE LYS 29 22.399 -6.271 4.302 941 2HE LYS 29 2HE LYS 29 23.392 -5.407 3.109 942 1HZ LYS 29 1HZ LYS 29 23.779 -3.716 4.718 943 2HZ LYS 29 2HZ LYS 29 22.777 -4.430 5.811 944 3HZ LYS 29 3HZ LYS 29 24.185 -5.173 5.372 945 H SER 30 H SER 30 19.999 -6.493 -0.675 946 HA SER 30 HA SER 30 21.069 -4.631 -2.559 947 1HB SER 30 1HB SER 30 21.002 -6.927 -3.909 948 2HB SER 30 2HB SER 30 22.052 -6.785 -2.485 949 HG SER 30 HG SER 30 20.599 -8.676 -2.568 950 H GLU 31 H GLU 31 18.122 -6.674 -2.433 951 HA GLU 31 HA GLU 31 17.196 -5.967 -5.077 952 1HB GLU 31 1HB GLU 31 15.622 -7.232 -2.816 953 2HB GLU 31 2HB GLU 31 15.230 -7.216 -4.540 954 1HG GLU 31 1HG GLU 31 17.600 -8.594 -3.241 955 2HG GLU 31 2HG GLU 31 16.154 -9.377 -3.902 956 H LEU 32 H LEU 32 16.347 -5.074 -1.733 957 HA LEU 32 HA LEU 32 14.224 -3.312 -2.273 958 1HB LEU 32 1HB LEU 32 15.352 -4.280 -0.040 959 2HB LEU 32 2HB LEU 32 16.156 -2.698 -0.039 960 HG LEU 32 HG LEU 32 13.155 -3.280 -0.019 961 1HD1 LEU 32 1HD1 LEU 32 13.261 -2.367 2.262 962 2HD1 LEU 32 2HD1 LEU 32 14.365 -3.744 2.098 963 3HD1 LEU 32 3HD1 LEU 32 15.004 -2.083 2.087 964 1HD2 LEU 32 1HD2 LEU 32 14.630 -0.612 -0.003 965 2HD2 LEU 32 2HD2 LEU 32 13.448 -1.187 -1.206 966 3HD2 LEU 32 3HD2 LEU 32 12.921 -0.819 0.437 967 H LYS 33 H LYS 33 17.748 -2.686 -2.021 968 HA LYS 33 HA LYS 33 17.709 0.080 -2.529 969 1HB LYS 33 1HB LYS 33 19.635 -1.169 -1.681 970 2HB LYS 33 2HB LYS 33 19.789 -2.060 -3.163 971 1HG LYS 33 1HG LYS 33 20.269 0.130 -4.358 972 2HG LYS 33 2HG LYS 33 20.083 0.967 -2.796 973 1HD LYS 33 1HD LYS 33 21.961 -0.510 -1.909 974 2HD LYS 33 2HD LYS 33 22.205 -1.091 -3.561 975 1HE LYS 33 1HE LYS 33 22.406 1.813 -2.607 976 2HE LYS 33 2HE LYS 33 23.768 0.754 -2.989 977 1HZ LYS 33 1HZ LYS 33 21.730 1.663 -4.898 978 2HZ LYS 33 2HZ LYS 33 23.287 2.192 -4.795 979 3HZ LYS 33 3HZ LYS 33 22.974 0.638 -5.242 980 H GLU 34 H GLU 34 18.358 -2.589 -4.927 981 HA GLU 34 HA GLU 34 18.451 -0.710 -7.066 982 1HB GLU 34 1HB GLU 34 18.446 -2.597 -8.593 983 2HB GLU 34 2HB GLU 34 19.524 -2.874 -7.218 984 1HG GLU 34 1HG GLU 34 17.650 -4.188 -6.155 985 2HG GLU 34 2HG GLU 34 16.782 -4.116 -7.684 986 H LEU 35 H LEU 35 15.769 -2.648 -5.795 987 HA LEU 35 HA LEU 35 13.702 -2.052 -7.584 988 1HB LEU 35 1HB LEU 35 13.463 -3.658 -5.870 989 2HB LEU 35 2HB LEU 35 13.854 -2.511 -4.597 990 HG LEU 35 HG LEU 35 11.519 -3.382 -4.764 991 1HD1 LEU 35 1HD1 LEU 35 11.710 -0.360 -4.607 992 2HD1 LEU 35 2HD1 LEU 35 10.548 -1.428 -3.824 993 3HD1 LEU 35 3HD1 LEU 35 12.236 -1.483 -3.327 994 1HD2 LEU 35 1HD2 LEU 35 11.118 -1.237 -6.857 995 2HD2 LEU 35 2HD2 LEU 35 11.191 -2.982 -7.199 996 3HD2 LEU 35 3HD2 LEU 35 9.925 -2.346 -6.151 997 H ILE 36 H ILE 36 14.634 -0.133 -4.600 998 HA ILE 36 HA ILE 36 12.761 1.922 -5.286 999 HB ILE 36 HB ILE 36 15.183 1.950 -3.482 1000 1HG1 ILE 36 1HG1 ILE 36 12.174 2.005 -2.945 1001 2HG1 ILE 36 2HG1 ILE 36 13.208 0.577 -2.836 1002 1HG2 ILE 36 1HG2 ILE 36 14.865 4.270 -4.286 1003 2HG2 ILE 36 2HG2 ILE 36 13.115 4.149 -4.007 1004 3HG2 ILE 36 3HG2 ILE 36 14.243 4.171 -2.652 1005 1HD1 ILE 36 1HD1 ILE 36 14.532 1.671 -1.034 1006 2HD1 ILE 36 2HD1 ILE 36 13.378 3.027 -1.038 1007 3HD1 ILE 36 3HD1 ILE 36 12.825 1.411 -0.621 1008 H ASN 37 H ASN 37 16.303 1.725 -5.882 1009 HA ASN 37 HA ASN 37 16.533 4.304 -7.023 1010 1HB ASN 37 1HB ASN 37 18.169 1.795 -7.543 1011 2HB ASN 37 2HB ASN 37 18.539 3.377 -8.258 1012 1HD2 ASN 37 2HD2 ASN 37 18.457 1.579 -5.220 1013 2HD2 ASN 37 1HD2 ASN 37 19.433 2.739 -4.322 1014 H ASN 38 H ASN 38 15.720 1.205 -8.680 1015 HA ASN 38 HA ASN 38 15.682 2.468 -11.304 1016 1HB ASN 38 1HB ASN 38 14.909 -0.285 -10.253 1017 2HB ASN 38 2HB ASN 38 14.651 0.231 -11.925 1018 1HD2 ASN 38 2HD2 ASN 38 17.168 -0.387 -9.502 1019 2HD2 ASN 38 1HD2 ASN 38 18.480 -0.558 -10.676 1020 H GLU 39 H GLU 39 13.177 1.355 -8.933 1021 HA GLU 39 HA GLU 39 11.106 1.965 -10.912 1022 1HB GLU 39 1HB GLU 39 10.830 1.039 -8.043 1023 2HB GLU 39 2HB GLU 39 9.568 1.140 -9.269 1024 1HG GLU 39 1HG GLU 39 12.005 -0.691 -9.365 1025 2HG GLU 39 2HG GLU 39 10.337 -1.176 -9.045 1026 H LEU 40 H LEU 40 12.278 3.445 -7.872 1027 HA LEU 40 HA LEU 40 9.992 5.354 -7.928 1028 1HB LEU 40 1HB LEU 40 11.634 4.035 -5.845 1029 2HB LEU 40 2HB LEU 40 11.408 5.746 -5.565 1030 HG LEU 40 HG LEU 40 8.925 5.436 -5.808 1031 1HD1 LEU 40 1HD1 LEU 40 9.685 2.487 -5.650 1032 2HD1 LEU 40 2HD1 LEU 40 8.044 3.161 -5.527 1033 3HD1 LEU 40 3HD1 LEU 40 8.935 3.290 -7.054 1034 1HD2 LEU 40 1HD2 LEU 40 8.743 4.372 -3.537 1035 2HD2 LEU 40 2HD2 LEU 40 10.459 3.927 -3.656 1036 3HD2 LEU 40 3HD2 LEU 40 9.983 5.636 -3.626 1037 H SER 41 H SER 41 12.705 5.530 -9.591 1038 HA SER 41 HA SER 41 14.490 7.225 -8.669 1039 1HB SER 41 1HB SER 41 13.382 7.563 -11.471 1040 2HB SER 41 2HB SER 41 15.073 7.631 -10.936 1041 HG SER 41 HG SER 41 14.881 5.369 -10.441 1042 H HIS 42 H HIS 42 11.328 8.417 -9.891 1043 HA HIS 42 HA HIS 42 12.191 11.237 -9.656 1044 1HB HIS 42 1HB HIS 42 10.824 10.314 -11.567 1045 2HB HIS 42 2HB HIS 42 9.484 10.097 -10.437 1046 HD1 HIS 42 HD1 HIS 42 10.316 13.124 -9.064 1047 HD2 HIS 42 HD2 HIS 42 9.241 12.015 -12.980 1048 HE1 HIS 42 HE1 HIS 42 9.412 15.231 -10.206 1049 H PHE 43 H PHE 43 10.536 8.783 -7.786 1050 HA PHE 43 HA PHE 43 8.972 10.682 -6.165 1051 1HB PHE 43 1HB PHE 43 9.150 7.713 -6.472 1052 2HB PHE 43 2HB PHE 43 8.630 8.357 -4.932 1053 HD1 PHE 43 HD1 PHE 43 6.330 8.656 -4.629 1054 HD2 PHE 43 HD2 PHE 43 7.956 9.175 -8.586 1055 HE1 PHE 43 HE1 PHE 43 4.049 8.860 -5.542 1056 HE2 PHE 43 HE2 PHE 43 5.675 9.500 -9.476 1057 HZ PHE 43 HZ PHE 43 3.707 9.326 -7.959 1058 H LEU 44 H LEU 44 11.922 8.728 -6.081 1059 HA LEU 44 HA LEU 44 12.811 9.922 -3.538 1060 1HB LEU 44 1HB LEU 44 11.426 7.725 -3.441 1061 2HB LEU 44 2HB LEU 44 12.816 6.935 -4.186 1062 HG LEU 44 HG LEU 44 12.967 8.589 -1.649 1063 1HD1 LEU 44 1HD1 LEU 44 12.768 6.367 -0.456 1064 2HD1 LEU 44 2HD1 LEU 44 11.305 6.821 -1.356 1065 3HD1 LEU 44 3HD1 LEU 44 12.418 5.624 -2.040 1066 1HD2 LEU 44 1HD2 LEU 44 15.173 8.170 -2.542 1067 2HD2 LEU 44 2HD2 LEU 44 14.955 7.001 -1.234 1068 3HD2 LEU 44 3HD2 LEU 44 14.785 6.483 -2.921 1069 H GLU 45 H GLU 45 14.948 10.517 -3.831 1070 HA GLU 45 HA GLU 45 16.129 10.122 -6.421 1071 1HB GLU 45 1HB GLU 45 17.479 11.284 -3.945 1072 2HB GLU 45 2HB GLU 45 17.953 11.486 -5.634 1073 1HG GLU 45 1HG GLU 45 15.652 12.526 -6.048 1074 2HG GLU 45 2HG GLU 45 15.442 12.539 -4.284 1075 H GLU 46 H GLU 46 18.457 9.473 -6.669 1076 HA GLU 46 HA GLU 46 18.803 6.762 -6.268 1077 1HB GLU 46 1HB GLU 46 20.076 7.965 -7.940 1078 2HB GLU 46 2HB GLU 46 20.818 9.014 -6.713 1079 1HG GLU 46 1HG GLU 46 22.088 7.156 -5.790 1080 2HG GLU 46 2HG GLU 46 21.297 6.013 -6.901 1081 H ILE 47 H ILE 47 19.116 5.592 -4.481 1082 HA ILE 47 HA ILE 47 19.437 6.877 -1.948 1083 HB ILE 47 HB ILE 47 19.660 3.942 -2.652 1084 1HG1 ILE 47 1HG1 ILE 47 17.344 5.268 -1.228 1085 2HG1 ILE 47 2HG1 ILE 47 17.407 5.360 -3.001 1086 1HG2 ILE 47 1HG2 ILE 47 19.111 3.693 -0.148 1087 2HG2 ILE 47 2HG2 ILE 47 20.737 4.274 -0.497 1088 3HG2 ILE 47 3HG2 ILE 47 19.472 5.411 0.020 1089 1HD1 ILE 47 1HD1 ILE 47 17.777 2.668 -1.677 1090 2HD1 ILE 47 2HD1 ILE 47 16.172 3.363 -1.904 1091 3HD1 ILE 47 3HD1 ILE 47 17.229 3.097 -3.313 1092 H LYS 48 H LYS 48 21.624 4.984 -3.948 1093 HA LYS 48 HA LYS 48 23.741 4.384 -3.914 1094 1HB LYS 48 1HB LYS 48 25.464 6.122 -3.444 1095 2HB LYS 48 2HB LYS 48 24.262 6.488 -4.683 1096 1HG LYS 48 1HG LYS 48 23.060 7.974 -3.211 1097 2HG LYS 48 2HG LYS 48 24.115 7.543 -1.843 1098 1HD LYS 48 1HD LYS 48 26.059 8.479 -3.118 1099 2HD LYS 48 2HD LYS 48 24.913 9.075 -4.339 1100 1HE LYS 48 1HE LYS 48 24.834 9.702 -1.339 1101 2HE LYS 48 2HE LYS 48 25.473 10.796 -2.584 1102 1HZ LYS 48 1HZ LYS 48 22.693 9.853 -2.402 1103 2HZ LYS 48 2HZ LYS 48 23.222 11.360 -2.015 1104 3HZ LYS 48 3HZ LYS 48 23.289 10.837 -3.575 1105 H GLU 49 H GLU 49 23.392 6.018 -0.725 1106 HA GLU 49 HA GLU 49 25.433 4.464 0.525 1107 1HB GLU 49 1HB GLU 49 23.143 6.120 1.636 1108 2HB GLU 49 2HB GLU 49 24.370 5.328 2.637 1109 1HG GLU 49 1HG GLU 49 26.159 6.562 1.388 1110 2HG GLU 49 2HG GLU 49 24.893 7.479 0.549 1111 H GLN 50 H GLN 50 25.134 2.261 0.389 1112 HA GLN 50 HA GLN 50 22.906 0.655 0.755 1113 1HB GLN 50 1HB GLN 50 25.772 0.249 1.595 1114 2HB GLN 50 2HB GLN 50 24.521 -0.993 1.789 1115 1HG GLN 50 1HG GLN 50 24.023 -0.969 -0.618 1116 2HG GLN 50 2HG GLN 50 25.179 0.352 -0.870 1117 1HE2 GLN 50 1HE2 GLN 50 24.959 -3.037 0.360 1118 2HE2 GLN 50 2HE2 GLN 50 26.567 -3.474 -0.195 1119 H GLU 51 H GLU 51 24.708 2.453 3.190 1120 HA GLU 51 HA GLU 51 23.638 1.385 5.552 1121 1HB GLU 51 1HB GLU 51 24.207 4.356 5.165 1122 2HB GLU 51 2HB GLU 51 24.306 3.379 6.626 1123 1HG GLU 51 1HG GLU 51 26.535 3.555 6.114 1124 2HG GLU 51 2HG GLU 51 26.179 2.051 5.263 1125 H VAL 52 H VAL 52 22.254 3.954 3.390 1126 HA VAL 52 HA VAL 52 20.165 4.553 5.327 1127 HB VAL 52 HB VAL 52 20.401 5.406 2.417 1128 1HG1 VAL 52 1HG1 VAL 52 18.081 5.501 3.012 1129 2HG1 VAL 52 2HG1 VAL 52 18.449 6.127 4.630 1130 3HG1 VAL 52 3HG1 VAL 52 18.713 7.140 3.203 1131 1HG2 VAL 52 1HG2 VAL 52 22.205 6.273 3.938 1132 2HG2 VAL 52 2HG2 VAL 52 21.107 7.553 3.410 1133 3HG2 VAL 52 3HG2 VAL 52 20.956 6.875 5.041 1134 H VAL 53 H VAL 53 20.340 2.693 2.244 1135 HA VAL 53 HA VAL 53 17.608 1.871 2.401 1136 HB VAL 53 HB VAL 53 18.552 1.586 0.325 1137 1HG1 VAL 53 1HG1 VAL 53 20.641 -0.288 1.486 1138 2HG1 VAL 53 2HG1 VAL 53 20.446 0.164 -0.214 1139 3HG1 VAL 53 3HG1 VAL 53 20.909 1.396 0.937 1140 1HG2 VAL 53 1HG2 VAL 53 18.024 -0.686 -0.224 1141 2HG2 VAL 53 2HG2 VAL 53 18.310 -1.240 1.425 1142 3HG2 VAL 53 3HG2 VAL 53 16.932 -0.173 1.061 1143 H ASP 54 H ASP 54 20.567 0.327 3.827 1144 HA ASP 54 HA ASP 54 19.255 -1.835 5.026 1145 1HB ASP 54 1HB ASP 54 21.682 -1.499 5.043 1146 2HB ASP 54 2HB ASP 54 21.519 -0.170 6.200 1147 H LYS 55 H LYS 55 19.570 1.569 6.229 1148 HA LYS 55 HA LYS 55 18.023 1.176 8.587 1149 1HB LYS 55 1HB LYS 55 19.366 3.064 8.457 1150 2HB LYS 55 2HB LYS 55 18.656 3.649 6.962 1151 1HG LYS 55 1HG LYS 55 16.849 3.360 9.376 1152 2HG LYS 55 2HG LYS 55 18.031 4.679 9.319 1153 1HD LYS 55 1HD LYS 55 17.150 5.396 7.104 1154 2HD LYS 55 2HD LYS 55 15.873 4.178 7.215 1155 1HE LYS 55 1HE LYS 55 14.995 5.214 9.257 1156 2HE LYS 55 2HE LYS 55 16.311 6.410 9.238 1157 1HZ LYS 55 1HZ LYS 55 14.262 6.096 7.162 1158 2HZ LYS 55 2HZ LYS 55 14.330 7.296 8.290 1159 3HZ LYS 55 3HZ LYS 55 15.505 7.182 7.134 1160 H VAL 56 H VAL 56 16.891 2.119 5.241 1161 HA VAL 56 HA VAL 56 14.202 2.350 6.179 1162 HB VAL 56 HB VAL 56 13.368 2.585 4.138 1163 1HG1 VAL 56 1HG1 VAL 56 15.141 4.302 4.675 1164 2HG1 VAL 56 2HG1 VAL 56 16.197 3.463 3.519 1165 3HG1 VAL 56 3HG1 VAL 56 14.682 4.166 2.970 1166 1HG2 VAL 56 1HG2 VAL 56 13.884 0.526 3.022 1167 2HG2 VAL 56 2HG2 VAL 56 14.296 1.894 1.985 1168 3HG2 VAL 56 3HG2 VAL 56 15.577 1.007 2.817 1169 H MET 57 H MET 57 15.987 -0.457 4.836 1170 HA MET 57 HA MET 57 13.956 -2.393 4.963 1171 1HB MET 57 1HB MET 57 15.960 -3.096 4.024 1172 2HB MET 57 2HB MET 57 16.961 -2.478 5.329 1173 1HG MET 57 1HG MET 57 16.347 -4.202 6.834 1174 2HG MET 57 2HG MET 57 15.000 -4.723 5.810 1175 1HE MET 57 1HE MET 57 16.308 -5.030 2.871 1176 2HE MET 57 2HE MET 57 16.590 -6.767 3.104 1177 3HE MET 57 3HE MET 57 15.130 -6.020 3.763 1178 H GLU 58 H GLU 58 16.233 -1.423 7.608 1179 HA GLU 58 HA GLU 58 15.094 -2.996 9.632 1180 1HB GLU 58 1HB GLU 58 17.182 -1.735 9.883 1181 2HB GLU 58 2HB GLU 58 16.306 -0.197 9.852 1182 1HG GLU 58 1HG GLU 58 15.151 -0.734 11.935 1183 2HG GLU 58 2HG GLU 58 15.836 -2.364 11.920 1184 H THR 59 H THR 59 14.195 0.265 8.597 1185 HA THR 59 HA THR 59 12.065 0.714 10.399 1186 HB THR 59 HB THR 59 12.352 1.831 7.580 1187 HG1 THR 59 HG1 THR 59 14.225 2.156 8.823 1188 1HG2 THR 59 1HG2 THR 59 10.159 2.338 8.531 1189 2HG2 THR 59 2HG2 THR 59 10.929 2.917 10.029 1190 3HG2 THR 59 3HG2 THR 59 11.185 3.779 8.495 1191 H LEU 60 H LEU 60 12.006 -0.985 7.207 1192 HA LEU 60 HA LEU 60 9.058 -1.177 7.357 1193 1HB LEU 60 1HB LEU 60 10.779 -2.558 5.250 1194 2HB LEU 60 2HB LEU 60 9.071 -2.161 5.249 1195 HG LEU 60 HG LEU 60 11.230 -0.055 5.130 1196 1HD1 LEU 60 1HD1 LEU 60 10.477 0.192 2.807 1197 2HD1 LEU 60 2HD1 LEU 60 11.166 -1.404 3.122 1198 3HD1 LEU 60 3HD1 LEU 60 9.408 -1.222 3.009 1199 1HD2 LEU 60 1HD2 LEU 60 9.326 1.447 4.630 1200 2HD2 LEU 60 2HD2 LEU 60 8.202 0.122 5.033 1201 3HD2 LEU 60 3HD2 LEU 60 9.279 0.803 6.271 1202 H ASP 61 H ASP 61 11.788 -3.219 8.012 1203 HA ASP 61 HA ASP 61 10.677 -5.747 7.661 1204 1HB ASP 61 1HB ASP 61 13.035 -5.344 7.692 1205 2HB ASP 61 2HB ASP 61 12.973 -4.836 9.391 1206 H SER 62 H SER 62 8.536 -5.200 8.686 1207 HA SER 62 HA SER 62 8.159 -5.069 11.499 1208 1HB SER 62 1HB SER 62 6.269 -6.086 9.328 1209 2HB SER 62 2HB SER 62 5.820 -5.478 10.931 1210 HG SER 62 HG SER 62 7.238 -3.910 8.987 1211 H ASP 63 H ASP 63 8.457 -7.756 9.235 1212 HA ASP 63 HA ASP 63 7.666 -9.846 11.079 1213 1HB ASP 63 1HB ASP 63 9.196 -9.944 8.440 1214 2HB ASP 63 2HB ASP 63 8.535 -11.342 9.297 1215 H GLY 64 H GLY 64 10.545 -7.947 10.906 1216 1HA GLY 64 1HA GLY 64 12.608 -8.212 11.850 1217 2HA GLY 64 2HA GLY 64 11.866 -9.415 12.910 1218 H ASP 65 H ASP 65 12.270 -9.513 9.332 1219 HA ASP 65 HA ASP 65 13.834 -12.060 9.586 1220 1HB ASP 65 1HB ASP 65 11.496 -12.294 8.737 1221 2HB ASP 65 2HB ASP 65 11.866 -11.140 7.443 1222 H GLY 66 H GLY 66 14.359 -8.875 9.144 1223 1HA GLY 66 1HA GLY 66 15.925 -7.653 8.021 1224 2HA GLY 66 2HA GLY 66 16.573 -9.120 7.272 1225 H GLU 67 H GLU 67 14.985 -10.161 5.709 1226 HA GLU 67 HA GLU 67 14.909 -8.502 3.460 1227 1HB GLU 67 1HB GLU 67 13.340 -11.072 3.830 1228 2HB GLU 67 2HB GLU 67 13.916 -10.338 2.323 1229 1HG GLU 67 1HG GLU 67 16.291 -10.629 3.210 1230 2HG GLU 67 2HG GLU 67 15.594 -11.620 4.513 1231 H CYS 68 H CYS 68 13.409 -7.069 2.663 1232 HA CYS 68 HA CYS 68 11.175 -6.389 4.361 1233 1HB CYS 68 1HB CYS 68 12.306 -4.569 3.428 1234 2HB CYS 68 2HB CYS 68 12.234 -5.208 1.791 1235 HG CYS 68 HG CYS 68 9.705 -5.163 1.473 1236 H ASP 69 H ASP 69 9.408 -7.754 4.342 1237 HA ASP 69 HA ASP 69 8.714 -9.501 2.226 1238 1HB ASP 69 1HB ASP 69 8.207 -9.909 4.589 1239 2HB ASP 69 2HB ASP 69 7.055 -8.553 4.582 1240 H PHE 70 H PHE 70 6.807 -9.494 0.848 1241 HA PHE 70 HA PHE 70 6.259 -7.182 -0.514 1242 1HB PHE 70 1HB PHE 70 5.608 -9.468 -1.223 1243 2HB PHE 70 2HB PHE 70 4.269 -9.419 -0.086 1244 HD1 PHE 70 HD1 PHE 70 5.795 -7.470 -2.884 1245 HD2 PHE 70 HD2 PHE 70 2.162 -8.478 -0.847 1246 HE1 PHE 70 HE1 PHE 70 4.505 -6.411 -4.715 1247 HE2 PHE 70 HE2 PHE 70 0.872 -7.248 -2.543 1248 HZ PHE 70 HZ PHE 70 2.050 -6.253 -4.561 1249 H GLN 71 H GLN 71 4.552 -8.277 2.452 1250 HA GLN 71 HA GLN 71 2.531 -6.275 2.565 1251 1HB GLN 71 1HB GLN 71 4.159 -7.671 4.727 1252 2HB GLN 71 2HB GLN 71 2.745 -6.677 5.073 1253 1HG GLN 71 1HG GLN 71 2.523 -9.003 3.124 1254 2HG GLN 71 2HG GLN 71 2.546 -9.266 4.863 1255 1HE2 GLN 71 2HE2 GLN 71 0.499 -8.032 2.175 1256 2HE2 GLN 71 1HE2 GLN 71 -0.852 -7.681 3.245 1257 H GLU 72 H GLU 72 5.900 -6.237 3.668 1258 HA GLU 72 HA GLU 72 5.853 -3.709 5.101 1259 1HB GLU 72 1HB GLU 72 8.064 -5.517 4.021 1260 2HB GLU 72 2HB GLU 72 8.316 -4.156 5.103 1261 1HG GLU 72 1HG GLU 72 6.888 -5.050 6.733 1262 2HG GLU 72 2HG GLU 72 6.378 -6.428 5.817 1263 H PHE 73 H PHE 73 6.987 -4.839 2.054 1264 HA PHE 73 HA PHE 73 7.680 -2.368 0.769 1265 1HB PHE 73 1HB PHE 73 8.318 -4.291 -0.345 1266 2HB PHE 73 2HB PHE 73 6.719 -5.008 -0.282 1267 HD1 PHE 73 HD1 PHE 73 8.747 -2.363 -1.995 1268 HD2 PHE 73 HD2 PHE 73 5.068 -4.621 -1.997 1269 HE1 PHE 73 HE1 PHE 73 8.378 -1.810 -4.409 1270 HE2 PHE 73 HE2 PHE 73 4.762 -4.090 -4.403 1271 HZ PHE 73 HZ PHE 73 6.556 -2.918 -5.659 1272 H MET 74 H MET 74 4.442 -4.036 0.790 1273 HA MET 74 HA MET 74 3.097 -1.992 -0.603 1274 1HB MET 74 1HB MET 74 2.074 -4.012 1.429 1275 2HB MET 74 2HB MET 74 1.027 -2.852 0.631 1276 1HG MET 74 1HG MET 74 2.626 -5.042 -0.729 1277 2HG MET 74 2HG MET 74 0.889 -4.964 -0.495 1278 1HE MET 74 1HE MET 74 0.571 -1.698 -1.332 1279 2HE MET 74 2HE MET 74 0.051 -1.951 -3.007 1280 3HE MET 74 3HE MET 74 -0.613 -2.971 -1.724 1281 H ALA 75 H ALA 75 3.701 -2.311 2.880 1282 HA ALA 75 HA ALA 75 2.262 0.030 3.664 1283 1HB ALA 75 1HB ALA 75 3.568 -0.048 5.720 1284 2HB ALA 75 2HB ALA 75 3.048 -1.682 5.255 1285 3HB ALA 75 3HB ALA 75 4.727 -1.172 4.988 1286 H PHE 76 H PHE 76 5.671 -0.388 2.658 1287 HA PHE 76 HA PHE 76 6.514 2.325 3.014 1288 1HB PHE 76 1HB PHE 76 8.122 0.637 2.733 1289 2HB PHE 76 2HB PHE 76 7.448 0.109 1.206 1290 HD1 PHE 76 HD1 PHE 76 8.228 0.865 -0.829 1291 HD2 PHE 76 HD2 PHE 76 9.097 3.117 2.759 1292 HE1 PHE 76 HE1 PHE 76 9.795 2.273 -2.101 1293 HE2 PHE 76 HE2 PHE 76 10.677 4.533 1.464 1294 HZ PHE 76 HZ PHE 76 10.994 4.132 -0.983 1295 H VAL 77 H VAL 77 5.342 0.569 0.133 1296 HA VAL 77 HA VAL 77 5.155 2.703 -1.689 1297 HB VAL 77 HB VAL 77 3.599 0.122 -1.344 1298 1HG1 VAL 77 1HG1 VAL 77 3.451 2.103 -3.664 1299 2HG1 VAL 77 2HG1 VAL 77 2.841 0.436 -3.713 1300 3HG1 VAL 77 3HG1 VAL 77 2.114 1.601 -2.606 1301 1HG2 VAL 77 1HG2 VAL 77 6.051 -0.008 -1.965 1302 2HG2 VAL 77 2HG2 VAL 77 4.975 -0.648 -3.212 1303 3HG2 VAL 77 3HG2 VAL 77 5.695 0.963 -3.401 1304 H ALA 78 H ALA 78 2.766 1.555 0.781 1305 HA ALA 78 HA ALA 78 0.756 3.374 0.096 1306 1HB ALA 78 1HB ALA 78 -0.210 2.977 2.276 1307 2HB ALA 78 2HB ALA 78 0.388 1.456 1.593 1308 3HB ALA 78 3HB ALA 78 1.303 2.282 2.876 1309 H MET 79 H MET 79 3.345 3.854 2.601 1310 HA MET 79 HA MET 79 2.453 6.499 3.209 1311 1HB MET 79 1HB MET 79 4.668 6.935 4.138 1312 2HB MET 79 2HB MET 79 3.925 5.454 4.753 1313 1HG MET 79 1HG MET 79 5.375 4.102 3.420 1314 2HG MET 79 2HG MET 79 6.015 5.520 2.553 1315 1HE MET 79 1HE MET 79 7.310 4.352 6.769 1316 2HE MET 79 2HE MET 79 5.626 4.844 6.445 1317 3HE MET 79 3HE MET 79 6.273 3.340 5.730 1318 H ILE 80 H ILE 80 4.847 5.393 0.787 1319 HA ILE 80 HA ILE 80 5.690 7.955 -0.110 1320 HB ILE 80 HB ILE 80 5.463 5.267 -1.514 1321 1HG1 ILE 80 1HG1 ILE 80 7.000 5.479 0.538 1322 2HG1 ILE 80 2HG1 ILE 80 7.651 4.794 -0.949 1323 1HG2 ILE 80 1HG2 ILE 80 6.875 7.778 -2.456 1324 2HG2 ILE 80 2HG2 ILE 80 7.168 6.152 -3.118 1325 3HG2 ILE 80 3HG2 ILE 80 5.571 6.882 -3.270 1326 1HD1 ILE 80 1HD1 ILE 80 8.082 7.659 -0.014 1327 2HD1 ILE 80 2HD1 ILE 80 9.199 6.298 0.216 1328 3HD1 ILE 80 3HD1 ILE 80 8.849 6.867 -1.420 1329 H THR 81 H THR 81 3.223 5.765 -1.437 1330 HA THR 81 HA THR 81 2.190 7.426 -3.463 1331 HB THR 81 HB THR 81 0.732 5.334 -1.800 1332 HG1 THR 81 HG1 THR 81 2.527 4.436 -2.747 1333 1HG2 THR 81 1HG2 THR 81 -0.711 6.804 -3.340 1334 2HG2 THR 81 2HG2 THR 81 0.181 6.135 -4.691 1335 3HG2 THR 81 3HG2 THR 81 -0.756 5.055 -3.675 1336 H THR 82 H THR 82 1.292 7.150 0.038 1337 HA THR 82 HA THR 82 -0.965 8.876 -0.184 1338 HB THR 82 HB THR 82 0.709 8.181 2.246 1339 HG1 THR 82 HG1 THR 82 -0.302 6.438 1.214 1340 1HG2 THR 82 1HG2 THR 82 -2.071 9.433 2.009 1341 2HG2 THR 82 2HG2 THR 82 -1.353 8.800 3.505 1342 3HG2 THR 82 3HG2 THR 82 -0.629 10.199 2.709 1343 H ALA 83 H ALA 83 2.484 9.608 0.690 1344 HA ALA 83 HA ALA 83 2.075 12.394 1.113 1345 1HB ALA 83 1HB ALA 83 4.170 11.224 1.636 1346 2HB ALA 83 2HB ALA 83 4.500 11.006 -0.098 1347 3HB ALA 83 3HB ALA 83 4.453 12.638 0.602 1348 H CYS 84 H CYS 84 2.771 10.597 -1.919 1349 HA CYS 84 HA CYS 84 2.674 12.893 -3.625 1350 1HB CYS 84 1HB CYS 84 3.717 10.809 -4.298 1351 2HB CYS 84 2HB CYS 84 2.141 9.971 -4.252 1352 HG CYS 84 HG CYS 84 3.102 12.543 -6.090 1353 H HIS 85 H HIS 85 0.119 10.655 -2.561 1354 HA HIS 85 HA HIS 85 -2.009 11.586 -4.159 1355 1HB HIS 85 1HB HIS 85 -2.052 9.495 -2.807 1356 2HB HIS 85 2HB HIS 85 -2.056 10.461 -1.336 1357 HD1 HIS 85 HD1 HIS 85 -4.376 10.331 -4.464 1358 HD2 HIS 85 HD2 HIS 85 -4.334 10.883 -0.292 1359 HE1 HIS 85 HE1 HIS 85 -6.767 10.799 -3.777 1360 H GLU 86 H GLU 86 -0.851 12.631 -0.924 1361 HA GLU 86 HA GLU 86 -2.738 14.764 -0.583 1362 1HB GLU 86 1HB GLU 86 0.062 14.271 0.504 1363 2HB GLU 86 2HB GLU 86 -0.962 15.616 1.003 1364 1HG GLU 86 1HG GLU 86 -2.671 14.138 1.859 1365 2HG GLU 86 2HG GLU 86 -1.916 12.714 1.139 1366 H PHE 87 H PHE 87 0.608 14.731 -1.963 1367 HA PHE 87 HA PHE 87 0.692 17.421 -2.727 1368 1HB PHE 87 1HB PHE 87 2.578 15.892 -2.837 1369 2HB PHE 87 2HB PHE 87 1.896 15.116 -4.264 1370 HD1 PHE 87 HD1 PHE 87 3.134 18.390 -2.924 1371 HD2 PHE 87 HD2 PHE 87 2.100 16.134 -6.455 1372 HE1 PHE 87 HE1 PHE 87 4.076 20.181 -4.349 1373 HE2 PHE 87 HE2 PHE 87 2.973 17.965 -7.872 1374 HZ PHE 87 HZ PHE 87 3.991 19.977 -6.828 1375 H PHE 88 H PHE 88 -0.977 14.733 -4.283 1376 HA PHE 88 HA PHE 88 -1.472 15.800 -6.787 1377 1HB PHE 88 1HB PHE 88 -1.989 13.487 -5.756 1378 2HB PHE 88 2HB PHE 88 -3.568 14.177 -5.340 1379 HD1 PHE 88 HD1 PHE 88 -5.278 14.501 -7.028 1380 HD2 PHE 88 HD2 PHE 88 -1.276 13.374 -8.183 1381 HE1 PHE 88 HE1 PHE 88 -6.085 13.948 -9.305 1382 HE2 PHE 88 HE2 PHE 88 -2.099 12.823 -10.463 1383 HZ PHE 88 HZ PHE 88 -4.509 13.080 -11.013 1384 H GLU 89 H GLU 89 -2.916 16.911 -3.771 1385 HA GLU 89 HA GLU 89 -5.244 18.193 -4.748 1386 1HB GLU 89 1HB GLU 89 -3.204 19.150 -2.691 1387 2HB GLU 89 2HB GLU 89 -4.778 19.906 -2.971 1388 1HG GLU 89 1HG GLU 89 -4.378 17.006 -2.094 1389 2HG GLU 89 2HG GLU 89 -4.767 18.347 -1.022 1390 H HIS 90 H HIS 90 -1.816 18.971 -5.234 1391 HA HIS 90 HA HIS 90 -2.650 20.881 -7.379 1392 1HB HIS 90 1HB HIS 90 -1.647 22.129 -5.475 1393 2HB HIS 90 2HB HIS 90 -0.186 21.142 -5.621 1394 HD1 HIS 90 HD1 HIS 90 0.937 21.301 -8.217 1395 HD2 HIS 90 HD2 HIS 90 -1.763 24.266 -6.987 1396 HE1 HIS 90 HE1 HIS 90 1.302 23.321 -9.780 1397 H GLU 91 H GLU 91 -2.747 18.466 -8.172 1398 HA GLU 91 HA GLU 91 -0.464 17.042 -8.784 1399 1HB GLU 91 1HB GLU 91 -1.776 16.090 -10.618 1400 2HB GLU 91 2HB GLU 91 -2.711 16.204 -9.131 1401 1HG GLU 91 1HG GLU 91 -3.865 18.231 -9.986 1402 2HG GLU 91 2HG GLU 91 -2.934 18.126 -11.488 1403 1H LYS 62 H1 LYS 62 -29.313 -7.049 5.964 1404 2H LYS 62 H2 LYS 62 -28.178 -8.109 5.414 1405 3H LYS 62 H3 LYS 62 -29.364 -8.624 6.441 1406 HA LYS 62 HA LYS 62 -31.042 -8.150 4.853 1407 1HB LYS 62 1HB LYS 62 -29.732 -6.349 3.753 1408 2HB LYS 62 2HB LYS 62 -28.732 -7.577 2.962 1409 1HG LYS 62 1HG LYS 62 -30.732 -8.420 1.749 1410 2HG LYS 62 2HG LYS 62 -31.769 -7.346 2.701 1411 1HD LYS 62 1HD LYS 62 -31.485 -6.322 0.563 1412 2HD LYS 62 2HD LYS 62 -30.561 -5.365 1.731 1413 1HE LYS 62 1HE LYS 62 -28.470 -6.556 0.983 1414 2HE LYS 62 2HE LYS 62 -29.442 -7.460 -0.195 1415 1HZ LYS 62 1HZ LYS 62 -29.087 -4.546 -0.107 1416 2HZ LYS 62 2HZ LYS 62 -28.355 -5.580 -1.159 1417 3HZ LYS 62 3HZ LYS 62 -29.987 -5.368 -1.218 1418 H ARG 63 H ARG 63 -27.892 -9.604 3.859 1419 HA ARG 63 HA ARG 63 -29.179 -12.300 3.961 1420 1HB ARG 63 1HB ARG 63 -27.158 -11.337 1.907 1421 2HB ARG 63 2HB ARG 63 -27.811 -12.976 2.027 1422 1HG ARG 63 1HG ARG 63 -29.480 -10.498 1.393 1423 2HG ARG 63 2HG ARG 63 -28.809 -11.602 0.197 1424 1HD ARG 63 1HD ARG 63 -30.080 -13.476 1.101 1425 2HD ARG 63 2HD ARG 63 -30.756 -12.483 2.383 1426 HE ARG 63 HE ARG 63 -31.444 -12.484 -0.474 1427 1HH1 ARG 63 2HH2 ARG 63 -31.858 -10.784 2.648 1428 2HH1 ARG 63 1HH2 ARG 63 -33.329 -10.008 2.140 1429 1HH2 ARG 63 2HH1 ARG 63 -33.339 -11.424 -1.099 1430 2HH2 ARG 63 1HH1 ARG 63 -34.163 -10.345 -0.009 1431 H LEU 64 H LEU 64 -28.075 -11.228 6.148 1432 HA LEU 64 HA LEU 64 -25.211 -11.688 6.285 1433 1HB LEU 64 1HB LEU 64 -27.248 -11.140 8.464 1434 2HB LEU 64 2HB LEU 64 -25.493 -11.152 8.677 1435 HG LEU 64 HG LEU 64 -27.022 -9.246 6.849 1436 1HD1 LEU 64 1HD1 LEU 64 -27.467 -8.849 9.244 1437 2HD1 LEU 64 2HD1 LEU 64 -25.720 -8.777 9.561 1438 3HD1 LEU 64 3HD1 LEU 64 -26.494 -7.544 8.543 1439 1HD2 LEU 64 1HD2 LEU 64 -24.857 -7.984 6.805 1440 2HD2 LEU 64 2HD2 LEU 64 -24.074 -9.347 7.628 1441 3HD2 LEU 64 3HD2 LEU 64 -24.747 -9.545 5.991 1442 H ARG 65 H ARG 65 -25.278 -13.871 5.467 1443 HA ARG 65 HA ARG 65 -24.470 -15.932 5.928 1444 1HB ARG 65 1HB ARG 65 -23.849 -14.794 8.166 1445 2HB ARG 65 2HB ARG 65 -25.158 -15.714 8.888 1446 1HG ARG 65 1HG ARG 65 -22.885 -17.032 7.337 1447 2HG ARG 65 2HG ARG 65 -22.724 -16.533 9.012 1448 1HD ARG 65 1HD ARG 65 -23.253 -18.870 8.990 1449 2HD ARG 65 2HD ARG 65 -24.607 -17.959 9.694 1450 HE ARG 65 HE ARG 65 -24.917 -18.368 6.848 1451 1HH1 ARG 65 2HH2 ARG 65 -25.200 -20.184 9.861 1452 2HH1 ARG 65 1HH2 ARG 65 -26.610 -21.068 9.336 1453 1HH2 ARG 65 2HH1 ARG 65 -26.792 -19.300 6.252 1454 2HH2 ARG 65 1HH1 ARG 65 -27.481 -20.649 7.125 1455 H ARG 66 H ARG 66 -27.287 -15.392 8.008 1456 HA ARG 66 HA ARG 66 -28.294 -17.877 8.273 1457 1HB ARG 66 1HB ARG 66 -28.986 -15.798 9.427 1458 2HB ARG 66 2HB ARG 66 -29.958 -15.346 8.020 1459 1HG ARG 66 1HG ARG 66 -31.385 -17.323 8.323 1460 2HG ARG 66 2HG ARG 66 -30.346 -17.922 9.627 1461 1HD ARG 66 1HD ARG 66 -31.904 -15.299 9.679 1462 2HD ARG 66 2HD ARG 66 -32.439 -16.824 10.420 1463 HE ARG 66 HE ARG 66 -29.862 -16.283 11.414 1464 1HH1 ARG 66 1HH2 ARG 66 -33.101 -14.901 11.572 1465 2HH1 ARG 66 2HH2 ARG 66 -32.887 -14.191 13.150 1466 1HH2 ARG 66 2HH1 ARG 66 -29.552 -15.364 13.482 1467 2HH2 ARG 66 1HH1 ARG 66 -30.823 -14.456 14.250 1468 H SER 67 H SER 67 -28.636 -16.011 5.308 1469 HA SER 67 HA SER 67 -30.887 -17.155 4.146 1470 1HB SER 67 1HB SER 67 -28.349 -16.222 2.754 1471 2HB SER 67 2HB SER 67 -30.005 -16.196 2.115 1472 HG SER 67 HG SER 67 -30.490 -14.727 3.869 1473 H ALA 68 H ALA 68 -30.514 -19.432 4.966 1474 HA ALA 68 HA ALA 68 -30.187 -21.633 4.609 1475 1HB ALA 68 1HB ALA 68 -30.414 -20.797 1.683 1476 2HB ALA 68 2HB ALA 68 -30.592 -22.456 2.312 1477 3HB ALA 68 3HB ALA 68 -31.743 -21.198 2.783 1478 H HIS 69 H HIS 69 -28.576 -21.803 1.631 1479 HA HIS 69 HA HIS 69 -25.902 -21.432 2.852 1480 1HB HIS 69 1HB HIS 69 -26.678 -23.913 2.579 1481 2HB HIS 69 2HB HIS 69 -26.365 -23.648 0.860 1482 HD1 HIS 69 HD1 HIS 69 -23.712 -22.248 0.741 1483 HD2 HIS 69 HD2 HIS 69 -24.672 -24.853 3.891 1484 HE1 HIS 69 HE1 HIS 69 -21.490 -22.871 1.889 1485 H ALA 70 H ALA 70 -27.659 -19.650 1.301 1486 HA ALA 70 HA ALA 70 -26.312 -19.284 -1.272 1487 1HB ALA 70 1HB ALA 70 -27.841 -17.298 0.477 1488 2HB ALA 70 2HB ALA 70 -27.344 -17.061 -1.209 1489 3HB ALA 70 3HB ALA 70 -28.549 -18.301 -0.809 1490 H ARG 71 H ARG 71 -26.042 -18.212 2.092 1491 HA ARG 71 HA ARG 71 -24.380 -17.317 3.318 1492 1HB ARG 71 1HB ARG 71 -23.658 -19.689 2.394 1493 2HB ARG 71 2HB ARG 71 -22.483 -18.788 1.451 1494 1HG ARG 71 1HG ARG 71 -21.478 -19.641 3.466 1495 2HG ARG 71 2HG ARG 71 -21.507 -17.886 3.548 1496 1HD ARG 71 1HD ARG 71 -22.134 -19.098 5.715 1497 2HD ARG 71 2HD ARG 71 -23.242 -17.856 5.165 1498 HE ARG 71 HE ARG 71 -24.900 -19.384 5.019 1499 1HH1 ARG 71 2HH1 ARG 71 -21.850 -21.142 4.857 1500 2HH1 ARG 71 1HH1 ARG 71 -22.604 -22.713 4.741 1501 1HH2 ARG 71 2HH2 ARG 71 -25.898 -21.456 5.146 1502 2HH2 ARG 71 1HH2 ARG 71 -24.893 -22.875 5.271 1503 H LYS 72 H LYS 72 -25.258 -15.598 1.416 1504 HA LYS 72 HA LYS 72 -23.795 -14.589 -0.537 1505 1HB LYS 72 1HB LYS 72 -26.107 -13.910 0.208 1506 2HB LYS 72 2HB LYS 72 -25.346 -12.925 1.459 1507 1HG LYS 72 1HG LYS 72 -25.892 -11.394 -0.122 1508 2HG LYS 72 2HG LYS 72 -24.189 -11.650 -0.502 1509 1HD LYS 72 1HD LYS 72 -26.595 -12.880 -1.963 1510 2HD LYS 72 2HD LYS 72 -25.726 -11.416 -2.441 1511 1HE LYS 72 1HE LYS 72 -23.607 -12.836 -2.577 1512 2HE LYS 72 2HE LYS 72 -24.672 -14.261 -2.479 1513 1HZ LYS 72 1HZ LYS 72 -24.203 -13.699 -4.699 1514 2HZ LYS 72 2HZ LYS 72 -25.809 -13.463 -4.408 1515 3HZ LYS 72 3HZ LYS 72 -24.789 -12.169 -4.519 1516 H GLU 73 H GLU 73 -23.203 -13.629 2.860 1517 HA GLU 73 HA GLU 73 -21.407 -11.546 2.437 1518 1HB GLU 73 1HB GLU 73 -21.230 -13.679 4.606 1519 2HB GLU 73 2HB GLU 73 -20.415 -12.108 4.598 1520 1HG GLU 73 1HG GLU 73 -22.707 -11.009 4.425 1521 2HG GLU 73 2HG GLU 73 -23.422 -12.597 4.719 1522 H THR 74 H THR 74 -20.731 -15.064 2.090 1523 HA THR 74 HA THR 74 -17.866 -14.620 1.951 1524 HB THR 74 HB THR 74 -17.761 -16.979 1.509 1525 HG1 THR 74 HG1 THR 74 -20.592 -16.911 1.396 1526 1HG2 THR 74 1HG2 THR 74 -18.751 -17.824 3.593 1527 2HG2 THR 74 2HG2 THR 74 -17.965 -16.254 3.844 1528 3HG2 THR 74 3HG2 THR 74 -19.733 -16.354 3.751 1529 H GLU 75 H GLU 75 -20.406 -14.178 -0.317 1530 HA GLU 75 HA GLU 75 -19.590 -15.378 -2.647 1531 1HB GLU 75 1HB GLU 75 -21.687 -14.140 -2.297 1532 2HB GLU 75 2HB GLU 75 -20.789 -12.618 -2.228 1533 1HG GLU 75 1HG GLU 75 -21.747 -12.652 -4.366 1534 2HG GLU 75 2HG GLU 75 -20.069 -13.084 -4.654 1535 H PHE 76 H PHE 76 -18.518 -12.234 -1.395 1536 HA PHE 76 HA PHE 76 -16.756 -11.709 -3.639 1537 1HB PHE 76 1HB PHE 76 -16.409 -10.114 -1.146 1538 2HB PHE 76 2HB PHE 76 -16.616 -9.605 -2.811 1539 HD1 PHE 76 HD1 PHE 76 -19.004 -9.918 -3.860 1540 HD2 PHE 76 HD2 PHE 76 -18.240 -10.033 0.392 1541 HE1 PHE 76 HE1 PHE 76 -21.433 -9.987 -3.409 1542 HE2 PHE 76 HE2 PHE 76 -20.678 -10.003 0.808 1543 HZ PHE 76 HZ PHE 76 -22.268 -9.891 -1.069 1544 H LEU 77 H LEU 77 -16.303 -12.397 -0.176 1545 HA LEU 77 HA LEU 77 -13.489 -12.324 -0.095 1546 1HB LEU 77 1HB LEU 77 -15.432 -13.940 1.598 1547 2HB LEU 77 2HB LEU 77 -13.748 -13.614 2.020 1548 HG LEU 77 HG LEU 77 -15.890 -11.454 1.667 1549 1HD1 LEU 77 1HD1 LEU 77 -16.354 -12.911 3.593 1550 2HD1 LEU 77 2HD1 LEU 77 -14.696 -12.667 4.193 1551 3HD1 LEU 77 3HD1 LEU 77 -15.832 -11.302 4.118 1552 1HD2 LEU 77 1HD2 LEU 77 -13.022 -11.331 2.726 1553 2HD2 LEU 77 2HD2 LEU 77 -13.637 -10.543 1.256 1554 3HD2 LEU 77 3HD2 LEU 77 -14.207 -10.017 2.839 1555 H ARG 78 H ARG 78 -15.666 -14.986 -0.978 1556 HA ARG 78 HA ARG 78 -13.954 -17.154 -1.014 1557 1HB ARG 78 1HB ARG 78 -16.365 -17.191 -1.620 1558 2HB ARG 78 2HB ARG 78 -15.979 -16.391 -3.153 1559 1HG ARG 78 1HG ARG 78 -14.511 -18.391 -3.730 1560 2HG ARG 78 2HG ARG 78 -15.003 -19.133 -2.198 1561 1HD ARG 78 1HD ARG 78 -16.325 -20.020 -4.050 1562 2HD ARG 78 2HD ARG 78 -17.357 -19.112 -2.950 1563 HE ARG 78 HE ARG 78 -16.226 -18.114 -5.559 1564 1HH1 ARG 78 1HH1 ARG 78 -19.014 -18.132 -3.303 1565 2HH1 ARG 78 2HH1 ARG 78 -19.870 -16.945 -4.264 1566 1HH2 ARG 78 2HH2 ARG 78 -17.419 -16.549 -6.703 1567 2HH2 ARG 78 1HH2 ARG 78 -18.990 -16.055 -6.096 1568 H LEU 79 H LEU 79 -14.125 -14.466 -3.440 1569 HA LEU 79 HA LEU 79 -12.339 -15.760 -5.302 1570 1HB LEU 79 1HB LEU 79 -13.207 -12.877 -4.905 1571 2HB LEU 79 2HB LEU 79 -12.005 -13.324 -6.103 1572 HG LEU 79 HG LEU 79 -14.262 -13.050 -7.027 1573 1HD1 LEU 79 1HD1 LEU 79 -12.550 -14.425 -8.170 1574 2HD1 LEU 79 2HD1 LEU 79 -13.193 -15.880 -7.375 1575 3HD1 LEU 79 3HD1 LEU 79 -14.204 -14.962 -8.502 1576 1HD2 LEU 79 1HD2 LEU 79 -15.530 -14.044 -5.114 1577 2HD2 LEU 79 2HD2 LEU 79 -16.012 -14.655 -6.709 1578 3HD2 LEU 79 3HD2 LEU 79 -15.008 -15.658 -5.649 1579 H LYS 80 H LYS 80 -11.850 -13.610 -2.526 1580 HA LYS 80 HA LYS 80 -9.030 -13.181 -2.953 1581 1HB LYS 80 1HB LYS 80 -10.559 -11.752 -1.623 1582 2HB LYS 80 2HB LYS 80 -10.662 -12.982 -0.377 1583 1HG LYS 80 1HG LYS 80 -8.088 -11.622 -1.310 1584 2HG LYS 80 2HG LYS 80 -9.084 -11.054 0.025 1585 1HD LYS 80 1HD LYS 80 -7.537 -13.684 -0.037 1586 2HD LYS 80 2HD LYS 80 -7.180 -12.227 0.883 1587 1HE LYS 80 1HE LYS 80 -9.369 -12.474 2.097 1588 2HE LYS 80 2HE LYS 80 -9.594 -14.038 1.289 1589 1HZ LYS 80 1HZ LYS 80 -7.358 -13.326 3.043 1590 2HZ LYS 80 2HZ LYS 80 -8.629 -14.300 3.427 1591 3HZ LYS 80 3HZ LYS 80 -7.548 -14.770 2.274 1592 H ARG 81 H ARG 81 -10.928 -15.386 -0.822 1593 HA ARG 81 HA ARG 81 -8.728 -16.817 0.227 1594 1HB ARG 81 1HB ARG 81 -11.598 -17.662 -0.332 1595 2HB ARG 81 2HB ARG 81 -10.468 -18.704 0.520 1596 1HG ARG 81 1HG ARG 81 -11.213 -15.892 1.442 1597 2HG ARG 81 2HG ARG 81 -12.010 -17.365 1.991 1598 1HD ARG 81 1HD ARG 81 -9.040 -16.750 2.428 1599 2HD ARG 81 2HD ARG 81 -10.331 -16.552 3.591 1600 HE ARG 81 HE ARG 81 -10.595 -18.816 3.876 1601 1HH1 ARG 81 2HH1 ARG 81 -8.079 -18.279 1.418 1602 2HH1 ARG 81 1HH1 ARG 81 -7.402 -19.865 1.596 1603 1HH2 ARG 81 2HH2 ARG 81 -9.698 -20.869 4.094 1604 2HH2 ARG 81 1HH2 ARG 81 -8.331 -21.355 3.130 1605 H THR 82 H THR 82 -10.534 -17.329 -2.788 1606 HA THR 82 HA THR 82 -9.384 -19.807 -3.484 1607 HB THR 82 HB THR 82 -10.505 -17.609 -5.268 1608 HG1 THR 82 HG1 THR 82 -11.953 -18.482 -3.756 1609 1HG2 THR 82 1HG2 THR 82 -9.942 -20.547 -5.870 1610 2HG2 THR 82 2HG2 THR 82 -10.962 -19.485 -6.859 1611 3HG2 THR 82 3HG2 THR 82 -9.238 -19.139 -6.701 1612 H ARG 83 H ARG 83 -7.854 -16.580 -3.583 1613 HA ARG 83 HA ARG 83 -6.118 -16.928 -5.723 1614 1HB ARG 83 1HB ARG 83 -5.589 -15.605 -3.033 1615 2HB ARG 83 2HB ARG 83 -4.603 -15.450 -4.485 1616 1HG ARG 83 1HG ARG 83 -7.478 -14.490 -4.233 1617 2HG ARG 83 2HG ARG 83 -6.017 -13.507 -4.222 1618 1HD ARG 83 1HD ARG 83 -5.567 -14.626 -6.562 1619 2HD ARG 83 2HD ARG 83 -7.297 -15.009 -6.516 1620 HE ARG 83 HE ARG 83 -6.021 -12.447 -6.953 1621 1HH1 ARG 83 2HH1 ARG 83 -9.098 -13.881 -5.683 1622 2HH1 ARG 83 1HH1 ARG 83 -9.979 -12.429 -6.137 1623 1HH2 ARG 83 1HH2 ARG 83 -7.318 -10.611 -7.375 1624 2HH2 ARG 83 2HH2 ARG 83 -9.010 -10.649 -6.905 1625 H LEU 84 H LEU 84 -5.929 -18.508 -2.553 1626 HA LEU 84 HA LEU 84 -3.198 -19.383 -2.753 1627 1HB LEU 84 1HB LEU 84 -5.669 -20.422 -1.304 1628 2HB LEU 84 2HB LEU 84 -4.127 -21.259 -1.209 1629 HG LEU 84 HG LEU 84 -4.564 -19.866 0.732 1630 1HD1 LEU 84 1HD1 LEU 84 -2.245 -20.415 0.030 1631 2HD1 LEU 84 2HD1 LEU 84 -2.150 -18.858 -0.818 1632 3HD1 LEU 84 3HD1 LEU 84 -2.369 -18.900 0.938 1633 1HD2 LEU 84 1HD2 LEU 84 -5.765 -17.977 -0.355 1634 2HD2 LEU 84 2HD2 LEU 84 -4.454 -17.462 0.713 1635 3HD2 LEU 84 3HD2 LEU 84 -4.222 -17.419 -1.042 1636 H GLY 85 H GLY 85 -6.236 -20.677 -4.074 1637 1HA GLY 85 1HA GLY 85 -4.893 -23.199 -4.965 1638 2HA GLY 85 2HA GLY 85 -6.623 -22.922 -4.754 1639 H LEU 86 H LEU 86 -6.272 -20.227 -6.115 1640 HA LEU 86 HA LEU 86 -7.296 -20.551 -8.568 1641 1HB LEU 86 1HB LEU 86 -7.010 -18.428 -7.461 1642 2HB LEU 86 2HB LEU 86 -5.253 -18.554 -7.558 1643 HG LEU 86 HG LEU 86 -5.326 -18.233 -9.990 1644 1HD1 LEU 86 1HD1 LEU 86 -8.348 -18.006 -9.597 1645 2HD1 LEU 86 2HD1 LEU 86 -7.470 -17.558 -11.075 1646 3HD1 LEU 86 3HD1 LEU 86 -7.503 -19.246 -10.550 1647 1HD2 LEU 86 1HD2 LEU 86 -7.023 -16.151 -8.562 1648 2HD2 LEU 86 2HD2 LEU 86 -5.279 -16.332 -8.316 1649 3HD2 LEU 86 3HD2 LEU 86 -5.906 -15.893 -9.919 1650 H GLU 87 H GLU 87 -3.816 -20.678 -7.841 1651 HA GLU 87 HA GLU 87 -3.381 -22.317 -10.246 1652 1HB GLU 87 1HB GLU 87 -1.524 -20.058 -9.368 1653 2HB GLU 87 2HB GLU 87 -1.168 -21.277 -10.596 1654 1HG GLU 87 1HG GLU 87 -3.357 -19.162 -10.767 1655 2HG GLU 87 2HG GLU 87 -1.815 -19.152 -11.631 1656 1H LYS 62 H1 LYS 62 20.784 19.675 10.404 1657 2H LYS 62 H2 LYS 62 20.243 18.153 10.069 1658 3H LYS 62 H3 LYS 62 21.242 18.406 11.353 1659 HA LYS 62 HA LYS 62 19.041 18.051 12.111 1660 1HB LYS 62 1HB LYS 62 19.910 20.963 12.380 1661 2HB LYS 62 2HB LYS 62 18.691 20.149 13.376 1662 1HG LYS 62 1HG LYS 62 20.415 18.520 14.133 1663 2HG LYS 62 2HG LYS 62 21.644 19.399 13.197 1664 1HD LYS 62 1HD LYS 62 21.127 21.474 14.485 1665 2HD LYS 62 2HD LYS 62 19.975 20.566 15.477 1666 1HE LYS 62 1HE LYS 62 22.974 19.999 15.250 1667 2HE LYS 62 2HE LYS 62 22.183 20.848 16.585 1668 1HZ LYS 62 1HZ LYS 62 22.550 18.578 17.122 1669 2HZ LYS 62 2HZ LYS 62 20.930 18.860 17.033 1670 3HZ LYS 62 3HZ LYS 62 21.698 18.059 15.814 1671 H ARG 63 H ARG 63 19.132 21.142 10.223 1672 HA ARG 63 HA ARG 63 16.765 20.572 8.732 1673 1HB ARG 63 1HB ARG 63 15.388 22.399 9.776 1674 2HB ARG 63 2HB ARG 63 15.590 20.986 10.808 1675 1HG ARG 63 1HG ARG 63 17.333 22.144 12.122 1676 2HG ARG 63 2HG ARG 63 17.242 23.549 11.054 1677 1HD ARG 63 1HD ARG 63 15.939 23.988 13.084 1678 2HD ARG 63 2HD ARG 63 14.876 23.893 11.688 1679 HE ARG 63 HE ARG 63 13.848 22.042 12.545 1680 1HH1 ARG 63 2HH2 ARG 63 16.875 22.514 14.299 1681 2HH1 ARG 63 1HH2 ARG 63 16.535 21.300 15.503 1682 1HH2 ARG 63 2HH1 ARG 63 13.403 20.431 14.083 1683 2HH2 ARG 63 1HH1 ARG 63 14.528 20.085 15.366 1684 H LEU 64 H LEU 64 16.169 22.663 7.525 1685 HA LEU 64 HA LEU 64 16.749 24.327 6.142 1686 1HB LEU 64 1HB LEU 64 18.856 25.151 8.178 1687 2HB LEU 64 2HB LEU 64 18.145 26.154 6.918 1688 HG LEU 64 HG LEU 64 16.628 25.024 9.306 1689 1HD1 LEU 64 1HD1 LEU 64 17.558 27.851 8.666 1690 2HD1 LEU 64 2HD1 LEU 64 16.588 27.354 10.069 1691 3HD1 LEU 64 3HD1 LEU 64 18.256 26.779 9.899 1692 1HD2 LEU 64 1HD2 LEU 64 14.829 26.583 8.559 1693 2HD2 LEU 64 2HD2 LEU 64 15.744 26.907 7.073 1694 3HD2 LEU 64 3HD2 LEU 64 15.102 25.280 7.399 1695 H ARG 65 H ARG 65 18.950 25.448 5.197 1696 HA ARG 65 HA ARG 65 20.561 25.226 3.676 1697 1HB ARG 65 1HB ARG 65 21.241 22.494 4.820 1698 2HB ARG 65 2HB ARG 65 22.196 23.469 3.701 1699 1HG ARG 65 1HG ARG 65 22.507 25.200 5.415 1700 2HG ARG 65 2HG ARG 65 21.434 24.339 6.528 1701 1HD ARG 65 1HD ARG 65 23.689 23.925 7.186 1702 2HD ARG 65 2HD ARG 65 22.999 22.419 6.609 1703 HE ARG 65 HE ARG 65 25.140 24.075 5.417 1704 1HH1 ARG 65 2HH2 ARG 65 23.022 21.287 4.926 1705 2HH1 ARG 65 1HH2 ARG 65 23.868 20.703 3.528 1706 1HH2 ARG 65 2HH1 ARG 65 26.413 23.189 3.774 1707 2HH2 ARG 65 1HH1 ARG 65 25.955 21.696 3.000 1708 H ARG 66 H ARG 66 19.087 22.030 4.090 1709 HA ARG 66 HA ARG 66 17.891 20.640 2.811 1710 1HB ARG 66 1HB ARG 66 16.360 22.489 3.019 1711 2HB ARG 66 2HB ARG 66 17.001 23.273 1.582 1712 1HG ARG 66 1HG ARG 66 16.221 21.311 0.206 1713 2HG ARG 66 2HG ARG 66 15.608 20.561 1.694 1714 1HD ARG 66 1HD ARG 66 13.786 21.651 0.485 1715 2HD ARG 66 2HD ARG 66 14.079 22.468 2.035 1716 HE ARG 66 HE ARG 66 15.591 23.697 -0.085 1717 1HH1 ARG 66 1HH2 ARG 66 12.289 23.425 1.131 1718 2HH1 ARG 66 2HH2 ARG 66 11.803 25.008 0.591 1719 1HH2 ARG 66 2HH1 ARG 66 14.966 25.772 -0.819 1720 2HH2 ARG 66 1HH1 ARG 66 13.347 26.353 -0.559 1721 H SER 67 H SER 67 18.808 23.014 0.368 1722 HA SER 67 HA SER 67 19.109 21.474 -1.926 1723 1HB SER 67 1HB SER 67 20.750 23.297 -2.562 1724 2HB SER 67 2HB SER 67 19.204 23.900 -1.945 1725 HG SER 67 HG SER 67 20.212 24.260 0.091 1726 H ALA 68 H ALA 68 21.824 22.562 0.059 1727 HA ALA 68 HA ALA 68 23.691 20.574 -0.861 1728 1HB ALA 68 1HB ALA 68 25.115 21.425 0.971 1729 2HB ALA 68 2HB ALA 68 24.410 22.738 0.009 1730 3HB ALA 68 3HB ALA 68 23.736 22.359 1.606 1731 H HIS 69 H HIS 69 22.158 18.757 -0.604 1732 HA HIS 69 HA HIS 69 21.402 17.754 1.952 1733 1HB HIS 69 1HB HIS 69 20.657 15.794 0.664 1734 2HB HIS 69 2HB HIS 69 20.110 17.331 -0.004 1735 HD1 HIS 69 HD1 HIS 69 23.101 14.966 -0.653 1736 HD2 HIS 69 HD2 HIS 69 20.372 17.502 -2.599 1737 HE1 HIS 69 HE1 HIS 69 23.604 14.798 -3.177 1738 H ALA 70 H ALA 70 23.958 18.192 2.477 1739 HA ALA 70 HA ALA 70 25.716 15.923 2.317 1740 1HB ALA 70 1HB ALA 70 25.445 18.104 4.438 1741 2HB ALA 70 2HB ALA 70 26.809 16.978 4.273 1742 3HB ALA 70 3HB ALA 70 26.482 18.166 2.996 1743 H ARG 71 H ARG 71 22.990 16.841 4.344 1744 HA ARG 71 HA ARG 71 23.010 14.609 6.186 1745 1HB ARG 71 1HB ARG 71 20.820 16.531 5.235 1746 2HB ARG 71 2HB ARG 71 20.672 15.370 6.548 1747 1HG ARG 71 1HG ARG 71 20.960 17.508 7.487 1748 2HG ARG 71 2HG ARG 71 22.383 16.540 7.856 1749 1HD ARG 71 1HD ARG 71 22.829 18.973 7.297 1750 2HD ARG 71 2HD ARG 71 23.759 17.804 6.383 1751 HE ARG 71 HE ARG 71 22.877 18.644 4.465 1752 1HH1 ARG 71 2HH1 ARG 71 20.681 19.661 7.045 1753 2HH1 ARG 71 1HH1 ARG 71 19.775 20.732 6.007 1754 1HH2 ARG 71 2HH2 ARG 71 21.596 19.768 3.098 1755 2HH2 ARG 71 1HH2 ARG 71 20.073 20.432 3.623 1756 H LYS 72 H LYS 72 23.594 13.200 4.152 1757 HA LYS 72 HA LYS 72 21.923 12.849 2.017 1758 1HB LYS 72 1HB LYS 72 23.810 10.903 3.338 1759 2HB LYS 72 2HB LYS 72 22.969 10.525 1.828 1760 1HG LYS 72 1HG LYS 72 23.855 12.395 0.673 1761 2HG LYS 72 2HG LYS 72 24.580 13.104 2.108 1762 1HD LYS 72 1HD LYS 72 25.460 10.344 1.208 1763 2HD LYS 72 2HD LYS 72 26.026 11.776 0.348 1764 1HE LYS 72 1HE LYS 72 27.653 11.135 2.042 1765 2HE LYS 72 2HE LYS 72 26.981 12.738 2.384 1766 1HZ LYS 72 1HZ LYS 72 26.157 10.229 3.665 1767 2HZ LYS 72 2HZ LYS 72 27.150 11.368 4.329 1768 3HZ LYS 72 3HZ LYS 72 25.577 11.741 4.017 1769 H GLU 73 H GLU 73 21.540 11.105 5.116 1770 HA GLU 73 HA GLU 73 19.418 9.401 4.520 1771 1HB GLU 73 1HB GLU 73 20.485 9.617 6.736 1772 2HB GLU 73 2HB GLU 73 19.792 11.233 6.935 1773 1HG GLU 73 1HG GLU 73 18.534 9.608 8.230 1774 2HG GLU 73 2HG GLU 73 17.506 10.266 6.959 1775 H THR 74 H THR 74 19.290 12.943 5.108 1776 HA THR 74 HA THR 74 16.430 13.110 4.939 1777 HB THR 74 HB THR 74 18.454 15.368 4.715 1778 HG1 THR 74 HG1 THR 74 17.539 13.992 7.027 1779 1HG2 THR 74 1HG2 THR 74 15.666 15.193 5.954 1780 2HG2 THR 74 2HG2 THR 74 16.743 16.603 6.016 1781 3HG2 THR 74 3HG2 THR 74 16.103 16.051 4.460 1782 H GLU 75 H GLU 75 18.993 13.055 2.544 1783 HA GLU 75 HA GLU 75 18.137 14.807 0.566 1784 1HB GLU 75 1HB GLU 75 20.211 13.394 0.546 1785 2HB GLU 75 2HB GLU 75 19.226 11.980 0.136 1786 1HG GLU 75 1HG GLU 75 18.524 13.063 -1.969 1787 2HG GLU 75 2HG GLU 75 19.525 14.467 -1.586 1788 H PHE 76 H PHE 76 17.036 11.506 1.205 1789 HA PHE 76 HA PHE 76 15.159 11.443 -1.011 1790 1HB PHE 76 1HB PHE 76 15.258 9.489 1.309 1791 2HB PHE 76 2HB PHE 76 14.810 9.204 -0.358 1792 HD1 PHE 76 HD1 PHE 76 17.373 8.834 2.057 1793 HD2 PHE 76 HD2 PHE 76 16.842 9.891 -2.094 1794 HE1 PHE 76 HE1 PHE 76 19.800 8.557 1.662 1795 HE2 PHE 76 HE2 PHE 76 19.286 9.780 -2.422 1796 HZ PHE 76 HZ PHE 76 20.755 8.970 -0.572 1797 H LEU 77 H LEU 77 14.907 11.391 2.542 1798 HA LEU 77 HA LEU 77 12.087 11.243 2.689 1799 1HB LEU 77 1HB LEU 77 14.022 12.391 4.731 1800 2HB LEU 77 2HB LEU 77 12.385 11.807 5.053 1801 HG LEU 77 HG LEU 77 14.726 10.079 4.080 1802 1HD1 LEU 77 1HD1 LEU 77 13.394 10.270 6.803 1803 2HD1 LEU 77 2HD1 LEU 77 14.668 9.130 6.324 1804 3HD1 LEU 77 3HD1 LEU 77 15.019 10.864 6.378 1805 1HD2 LEU 77 1HD2 LEU 77 13.254 8.164 4.619 1806 2HD2 LEU 77 2HD2 LEU 77 11.901 9.275 4.914 1807 3HD2 LEU 77 3HD2 LEU 77 12.608 9.119 3.287 1808 H ARG 78 H ARG 78 14.243 14.016 2.393 1809 HA ARG 78 HA ARG 78 12.609 16.212 2.799 1810 1HB ARG 78 1HB ARG 78 14.935 16.359 2.150 1811 2HB ARG 78 2HB ARG 78 14.586 15.536 0.620 1812 1HG ARG 78 1HG ARG 78 13.288 17.539 -0.133 1813 2HG ARG 78 2HG ARG 78 13.624 18.330 1.421 1814 1HD ARG 78 1HD ARG 78 15.196 19.060 -0.389 1815 2HD ARG 78 2HD ARG 78 16.039 18.268 0.944 1816 HE ARG 78 HE ARG 78 16.420 16.347 -0.312 1817 1HH1 ARG 78 1HH1 ARG 78 14.897 18.804 -2.374 1818 2HH1 ARG 78 2HH1 ARG 78 14.915 17.774 -3.780 1819 1HH2 ARG 78 1HH2 ARG 78 16.185 14.978 -2.029 1820 2HH2 ARG 78 2HH2 ARG 78 15.818 15.609 -3.629 1821 H LEU 79 H LEU 79 12.601 13.996 -0.106 1822 HA LEU 79 HA LEU 79 10.735 15.690 -1.539 1823 1HB LEU 79 1HB LEU 79 11.398 12.742 -1.942 1824 2HB LEU 79 2HB LEU 79 10.430 13.756 -3.015 1825 HG LEU 79 HG LEU 79 13.402 14.051 -2.439 1826 1HD1 LEU 79 1HD1 LEU 79 11.761 13.377 -4.931 1827 2HD1 LEU 79 2HD1 LEU 79 13.511 13.631 -4.915 1828 3HD1 LEU 79 3HD1 LEU 79 12.807 12.271 -4.017 1829 1HD2 LEU 79 1HD2 LEU 79 11.542 15.858 -4.049 1830 2HD2 LEU 79 2HD2 LEU 79 12.554 16.322 -2.659 1831 3HD2 LEU 79 3HD2 LEU 79 13.311 15.871 -4.186 1832 H LYS 80 H LYS 80 10.341 12.693 0.383 1833 HA LYS 80 HA LYS 80 7.531 12.415 0.145 1834 1HB LYS 80 1HB LYS 80 9.023 10.750 1.177 1835 2HB LYS 80 2HB LYS 80 9.257 11.830 2.566 1836 1HG LYS 80 1HG LYS 80 6.754 11.800 2.940 1837 2HG LYS 80 2HG LYS 80 6.611 10.628 1.612 1838 1HD LYS 80 1HD LYS 80 7.996 9.035 2.819 1839 2HD LYS 80 2HD LYS 80 8.341 10.238 4.082 1840 1HE LYS 80 1HE LYS 80 5.884 10.349 4.612 1841 2HE LYS 80 2HE LYS 80 5.601 9.046 3.444 1842 1HZ LYS 80 1HZ LYS 80 5.785 8.270 5.703 1843 2HZ LYS 80 2HZ LYS 80 7.001 7.646 4.787 1844 3HZ LYS 80 3HZ LYS 80 7.308 8.881 5.837 1845 H ARG 81 H ARG 81 9.480 14.217 2.572 1846 HA ARG 81 HA ARG 81 7.306 15.303 3.969 1847 1HB ARG 81 1HB ARG 81 9.508 15.338 4.938 1848 2HB ARG 81 2HB ARG 81 10.142 16.331 3.621 1849 1HG ARG 81 1HG ARG 81 9.788 17.643 5.678 1850 2HG ARG 81 2HG ARG 81 8.835 18.252 4.325 1851 1HD ARG 81 1HD ARG 81 6.846 17.004 5.242 1852 2HD ARG 81 2HD ARG 81 7.812 16.586 6.671 1853 HE ARG 81 HE ARG 81 8.111 19.234 6.669 1854 1HH1 ARG 81 1HH2 ARG 81 5.138 17.353 6.183 1855 2HH1 ARG 81 2HH2 ARG 81 4.083 18.670 6.609 1856 1HH2 ARG 81 1HH1 ARG 81 6.726 20.929 7.271 1857 2HH2 ARG 81 2HH1 ARG 81 4.999 20.711 7.274 1858 H THR 82 H THR 82 9.084 16.621 1.124 1859 HA THR 82 HA THR 82 7.684 19.098 1.039 1860 HB THR 82 HB THR 82 8.911 17.525 -1.270 1861 HG1 THR 82 HG1 THR 82 10.384 17.991 0.396 1862 1HG2 THR 82 1HG2 THR 82 7.459 19.359 -2.087 1863 2HG2 THR 82 2HG2 THR 82 8.252 20.491 -0.969 1864 3HG2 THR 82 3HG2 THR 82 9.170 19.765 -2.303 1865 H ARG 83 H ARG 83 6.951 15.912 -0.554 1866 HA ARG 83 HA ARG 83 4.639 16.916 -1.895 1867 1HB ARG 83 1HB ARG 83 5.518 14.107 -1.102 1868 2HB ARG 83 2HB ARG 83 4.092 14.460 -2.069 1869 1HG ARG 83 1HG ARG 83 5.692 15.819 -3.620 1870 2HG ARG 83 2HG ARG 83 6.994 14.949 -2.797 1871 1HD ARG 83 1HD ARG 83 5.748 12.778 -3.443 1872 2HD ARG 83 2HD ARG 83 4.666 13.815 -4.378 1873 HE ARG 83 HE ARG 83 6.261 14.218 -5.966 1874 1HH1 ARG 83 2HH1 ARG 83 7.776 12.478 -3.292 1875 2HH1 ARG 83 1HH1 ARG 83 9.178 11.972 -4.198 1876 1HH2 ARG 83 2HH2 ARG 83 8.086 13.696 -7.146 1877 2HH2 ARG 83 1HH2 ARG 83 9.385 12.739 -6.494 1878 H LEU 84 H LEU 84 5.054 15.405 1.328 1879 HA LEU 84 HA LEU 84 2.271 15.421 2.043 1880 1HB LEU 84 1HB LEU 84 3.899 14.113 3.270 1881 2HB LEU 84 2HB LEU 84 4.862 15.547 3.627 1882 HG LEU 84 HG LEU 84 3.077 16.429 5.098 1883 1HD1 LEU 84 1HD1 LEU 84 1.095 15.355 4.068 1884 2HD1 LEU 84 2HD1 LEU 84 1.712 13.757 4.554 1885 3HD1 LEU 84 3HD1 LEU 84 1.221 14.941 5.782 1886 1HD2 LEU 84 1HD2 LEU 84 4.922 15.053 5.994 1887 2HD2 LEU 84 2HD2 LEU 84 3.956 13.586 5.739 1888 3HD2 LEU 84 3HD2 LEU 84 3.423 14.812 6.909 1889 H GLY 85 H GLY 85 4.865 17.825 2.231 1890 1HA GLY 85 1HA GLY 85 3.855 19.683 3.981 1891 2HA GLY 85 2HA GLY 85 4.964 20.032 2.646 1892 H LEU 86 H LEU 86 2.694 19.107 0.710 1893 HA LEU 86 HA LEU 86 1.578 21.662 0.219 1894 1HB LEU 86 1HB LEU 86 1.759 19.880 -1.471 1895 2HB LEU 86 2HB LEU 86 0.541 18.922 -0.614 1896 HG LEU 86 HG LEU 86 -1.182 20.602 -1.081 1897 1HD1 LEU 86 1HD1 LEU 86 0.106 22.718 -1.057 1898 2HD1 LEU 86 2HD1 LEU 86 -0.650 22.528 -2.634 1899 3HD1 LEU 86 3HD1 LEU 86 1.077 22.164 -2.443 1900 1HD2 LEU 86 1HD2 LEU 86 -1.229 20.461 -3.529 1901 2HD2 LEU 86 2HD2 LEU 86 0.435 19.825 -3.522 1902 3HD2 LEU 86 3HD2 LEU 86 -0.887 18.931 -2.725 1903 H GLU 87 H GLU 87 0.560 19.059 2.410 1904 HA GLU 87 HA GLU 87 -2.117 20.102 2.862 1905 1HB GLU 87 1HB GLU 87 -0.354 18.367 4.648 1906 2HB GLU 87 2HB GLU 87 -2.095 18.635 4.827 1907 1HG GLU 87 1HG GLU 87 -0.697 17.230 2.512 1908 2HG GLU 87 2HG GLU 87 -1.661 16.475 3.784
Contact the webmaster for help, if required. Friday, July 5, 2024 2:56:14 AM GMT (wattos1)