NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23006 | 2jsp | 15373 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1H ALA 1 14.344 17.346 5.293 2 HA ALA 1 HA ALA 1 14.425 14.660 6.196 3 HB1 ALA 1 3HB ALA 1 12.168 15.166 4.295 4 HB2 ALA 1 1HB ALA 1 12.824 13.571 4.734 5 HB3 ALA 1 2HB ALA 1 12.085 14.603 5.981 6 H VAL 2 H VAL 2 13.617 15.489 2.821 7 HA VAL 2 HA VAL 2 16.285 15.650 1.689 8 HB VAL 2 HB VAL 2 16.859 13.653 2.526 9 HG11 VAL 2 1HG1 VAL 2 15.925 11.512 1.791 10 HG12 VAL 2 2HG1 VAL 2 14.743 12.431 2.754 11 HG13 VAL 2 3HG1 VAL 2 14.586 12.361 0.982 12 HG21 VAL 2 3HG2 VAL 2 17.872 14.353 0.565 13 HG22 VAL 2 1HG2 VAL 2 17.645 12.588 0.536 14 HG23 VAL 2 2HG2 VAL 2 16.583 13.637 -0.431 15 H ASN 3 H ASN 3 13.979 13.419 0.300 16 HA ASN 3 HA ASN 3 12.876 13.423 -1.720 17 HB2 ASN 3 1HB ASN 3 11.310 14.431 0.008 18 HB3 ASN 3 2HB ASN 3 11.562 15.961 -0.777 19 HD21 ASN 3 1HD2 ASN 3 10.570 16.438 -2.670 20 HD22 ASN 3 2HD2 ASN 3 9.579 15.269 -3.582 21 H VAL 4 H VAL 4 15.456 14.428 -2.127 22 HA VAL 4 HA VAL 4 14.977 16.213 -4.552 23 HB VAL 4 HB VAL 4 17.324 16.976 -4.312 24 HG11 VAL 4 1HG1 VAL 4 16.634 18.754 -2.759 25 HG12 VAL 4 2HG1 VAL 4 15.321 18.368 -3.898 26 HG13 VAL 4 3HG1 VAL 4 15.253 17.767 -2.224 27 HG21 VAL 4 3HG2 VAL 4 18.193 15.437 -2.686 28 HG22 VAL 4 1HG2 VAL 4 18.278 17.121 -2.118 29 HG23 VAL 4 2HG2 VAL 4 17.028 16.027 -1.477 30 H GLU 5 H GLU 5 14.511 14.290 -5.743 31 HA GLU 5 HA GLU 5 14.822 12.293 -6.793 32 HB2 GLU 5 1HB GLU 5 17.073 14.007 -7.687 33 HB3 GLU 5 2HB GLU 5 16.948 12.355 -8.263 34 HG2 GLU 5 1HG GLU 5 15.357 12.993 -9.725 35 HG3 GLU 5 2HG GLU 5 14.317 13.514 -8.410 36 H LYS 6 H LYS 6 14.875 10.794 -5.154 37 HA LYS 6 HA LYS 6 16.885 9.039 -4.675 38 HB2 LYS 6 1HB LYS 6 18.187 10.993 -3.563 39 HB3 LYS 6 2HB LYS 6 16.967 11.028 -2.331 40 HG2 LYS 6 1HG LYS 6 18.646 9.692 -1.408 41 HG3 LYS 6 2HG LYS 6 17.519 8.491 -1.987 42 HD2 LYS 6 1HD LYS 6 19.305 7.570 -3.049 43 HD3 LYS 6 2HD LYS 6 19.194 8.871 -4.204 44 HE2 LYS 6 1HE LYS 6 20.917 8.951 -1.681 45 HE3 LYS 6 2HE LYS 6 21.490 8.669 -3.292 46 HZ1 LYS 6 3HZ LYS 6 20.193 11.103 -2.343 47 HZ2 LYS 6 1HZ LYS 6 21.832 10.848 -2.621 48 HZ3 LYS 6 2HZ LYS 6 20.749 10.828 -3.906 49 H GLN 7 H GLN 7 14.719 11.031 -2.629 50 HA GLN 7 HA GLN 7 12.952 10.634 -1.279 51 HB2 GLN 7 1HB GLN 7 12.529 8.357 -3.172 52 HB3 GLN 7 2HB GLN 7 11.437 8.736 -1.826 53 HG2 GLN 7 1HG GLN 7 10.831 10.866 -2.777 54 HG3 GLN 7 2HG GLN 7 12.256 10.953 -3.766 55 HE21 GLN 7 1HE2 GLN 7 9.021 10.540 -3.864 56 HE22 GLN 7 2HE2 GLN 7 8.949 9.649 -5.365 57 H LYS 8 H LYS 8 12.081 8.038 -0.061 58 HA LYS 8 HA LYS 8 14.660 7.062 1.039 59 HB2 LYS 8 1HB LYS 8 12.349 8.118 2.373 60 HB3 LYS 8 2HB LYS 8 12.706 6.498 2.928 61 HG2 LYS 8 1HG LYS 8 14.961 8.473 2.624 62 HG3 LYS 8 2HG LYS 8 13.893 8.540 4.027 63 HD2 LYS 8 1HD LYS 8 14.443 6.223 4.618 64 HD3 LYS 8 2HD LYS 8 15.383 6.025 3.142 65 HE2 LYS 8 1HE LYS 8 17.039 7.626 3.891 66 HE3 LYS 8 2HE LYS 8 16.039 8.108 5.264 67 HZ1 LYS 8 3HZ LYS 8 17.184 5.433 4.820 68 HZ2 LYS 8 1HZ LYS 8 17.742 6.594 5.901 69 HZ3 LYS 8 2HZ LYS 8 16.231 5.892 6.128 70 HA PRO 9 HA PRO 9 13.136 3.161 -0.829 71 HB2 PRO 9 1HB PRO 9 15.605 2.096 -1.221 72 HB3 PRO 9 2HB PRO 9 14.865 3.205 -2.374 73 HG2 PRO 9 1HG PRO 9 16.912 3.825 -0.194 74 HG3 PRO 9 2HG PRO 9 16.909 4.366 -1.871 75 HD2 PRO 9 1HD PRO 9 15.882 5.966 0.198 76 HD3 PRO 9 2HD PRO 9 15.117 5.986 -1.460 77 H ALA 10 H ALA 10 12.163 2.292 0.905 78 HA ALA 10 HA ALA 10 13.533 1.602 3.370 79 HB1 ALA 10 3HB ALA 10 10.750 1.071 2.309 80 HB2 ALA 10 1HB ALA 10 11.312 0.760 3.968 81 HB3 ALA 10 2HB ALA 10 11.255 2.427 3.346 82 H VAL 11 H VAL 11 15.145 0.494 1.978 83 HA VAL 11 HA VAL 11 16.237 -1.258 0.923 84 HB VAL 11 HB VAL 11 16.170 -3.393 1.869 85 HG11 VAL 11 1HG1 VAL 11 17.151 -2.633 3.990 86 HG12 VAL 11 2HG1 VAL 11 17.661 -1.580 2.649 87 HG13 VAL 11 3HG1 VAL 11 16.399 -1.034 3.779 88 HG21 VAL 11 3HG2 VAL 11 13.951 -3.709 2.553 89 HG22 VAL 11 1HG2 VAL 11 15.091 -3.877 3.909 90 HG23 VAL 11 2HG2 VAL 11 14.100 -2.406 3.758 91 H SER 12 H SER 12 15.717 -3.728 0.117 92 HA SER 12 HA SER 12 13.731 -3.551 -2.004 93 HB2 SER 12 1HB SER 12 15.933 -4.778 -2.211 94 HB3 SER 12 2HB SER 12 15.312 -5.971 -1.062 95 HG SER 12 HG SER 12 15.010 -6.450 -3.402 96 H VAL 13 H VAL 13 12.181 -5.449 -2.188 97 HA VAL 13 HA VAL 13 10.244 -5.548 -0.049 98 HB VAL 13 HB VAL 13 9.789 -5.611 -2.531 99 HG11 VAL 13 1HG1 VAL 13 9.918 -7.706 -3.684 100 HG12 VAL 13 2HG1 VAL 13 11.552 -7.170 -3.222 101 HG13 VAL 13 3HG1 VAL 13 10.746 -8.463 -2.302 102 HG21 VAL 13 3HG2 VAL 13 8.103 -5.922 -1.010 103 HG22 VAL 13 1HG2 VAL 13 7.953 -6.999 -2.420 104 HG23 VAL 13 2HG2 VAL 13 8.503 -7.649 -0.858 105 H ARG 14 H ARG 14 9.517 -8.275 -0.013 106 HA ARG 14 HA ARG 14 9.857 -10.359 0.923 107 HB2 ARG 14 1HB ARG 14 11.815 -10.314 -0.568 108 HB3 ARG 14 2HB ARG 14 12.775 -9.824 0.875 109 HG2 ARG 14 1HG ARG 14 12.260 -11.864 1.955 110 HG3 ARG 14 2HG ARG 14 11.199 -12.354 0.573 111 HD2 ARG 14 1HD ARG 14 13.256 -12.085 -0.969 112 HD3 ARG 14 2HD ARG 14 14.251 -11.808 0.438 113 HE ARG 14 HE ARG 14 12.943 -14.262 0.861 114 HH11 ARG 14 1HH1 ARG 14 15.324 -12.903 -1.414 115 HH12 ARG 14 2HH1 ARG 14 16.053 -14.446 -1.717 116 HH21 ARG 14 1HH2 ARG 14 13.968 -16.220 0.394 117 HH22 ARG 14 2HH2 ARG 14 15.301 -16.268 -0.709 118 H LYS 15 H LYS 15 12.223 -8.050 2.379 119 HA LYS 15 HA LYS 15 11.238 -8.769 5.072 120 HB2 LYS 15 1HB LYS 15 13.819 -7.702 4.008 121 HB3 LYS 15 2HB LYS 15 13.366 -7.375 5.683 122 HG2 LYS 15 1HG LYS 15 13.093 -9.796 6.107 123 HG3 LYS 15 2HG LYS 15 13.454 -10.154 4.419 124 HD2 LYS 15 1HD LYS 15 15.721 -9.323 4.654 125 HD3 LYS 15 2HD LYS 15 15.382 -8.700 6.272 126 HE2 LYS 15 1HE LYS 15 15.039 -10.976 7.125 127 HE3 LYS 15 2HE LYS 15 15.214 -11.649 5.503 128 HZ1 LYS 15 3HZ LYS 15 17.280 -10.169 6.987 129 HZ2 LYS 15 1HZ LYS 15 17.212 -11.833 6.755 130 HZ3 LYS 15 2HZ LYS 15 17.446 -10.810 5.442 131 H SER 16 H SER 16 10.167 -6.541 2.918 132 HA SER 16 HA SER 16 9.790 -4.168 4.281 133 HB2 SER 16 1HB SER 16 7.541 -5.574 2.815 134 HB3 SER 16 2HB SER 16 7.922 -3.864 2.863 135 HG SER 16 HG SER 16 9.194 -4.089 1.221 136 H VAL 17 H VAL 17 8.453 -7.307 5.028 137 HA VAL 17 HA VAL 17 6.504 -6.436 6.999 138 HB VAL 17 HB VAL 17 7.589 -9.096 6.023 139 HG11 VAL 17 1HG1 VAL 17 6.030 -10.283 7.501 140 HG12 VAL 17 2HG1 VAL 17 7.257 -9.401 8.441 141 HG13 VAL 17 3HG1 VAL 17 5.607 -8.750 8.300 142 HG21 VAL 17 3HG2 VAL 17 5.841 -8.017 4.662 143 HG22 VAL 17 1HG2 VAL 17 5.215 -9.491 5.438 144 HG23 VAL 17 2HG2 VAL 17 4.791 -7.892 6.094 145 H GLN 18 H GLN 18 7.314 -5.591 8.895 146 HA GLN 18 HA GLN 18 9.522 -7.083 10.254 147 HB2 GLN 18 1HB GLN 18 8.786 -4.148 10.380 148 HB3 GLN 18 2HB GLN 18 9.924 -4.930 11.447 149 HG2 GLN 18 1HG GLN 18 11.291 -5.606 9.448 150 HG3 GLN 18 2HG GLN 18 10.172 -4.723 8.424 151 HE21 GLN 18 1HE2 GLN 18 10.657 -2.633 8.016 152 HE22 GLN 18 2HE2 GLN 18 11.666 -1.667 9.065 153 H ASP 19 H ASP 19 9.162 -6.170 12.806 154 HA ASP 19 HA ASP 19 7.218 -8.009 13.878 155 HB2 ASP 19 1HB ASP 19 9.499 -7.274 14.708 156 HB3 ASP 19 2HB ASP 19 8.642 -5.835 15.348 157 H ASP 20 H ASP 20 5.252 -7.393 12.927 158 HA ASP 20 HA ASP 20 3.232 -6.460 12.742 159 HB2 ASP 20 1HB ASP 20 3.717 -6.024 15.579 160 HB3 ASP 20 2HB ASP 20 2.337 -5.217 14.798 161 H HIS 21 H HIS 21 5.527 -4.878 11.787 162 HA HIS 21 HA HIS 21 4.114 -2.344 11.369 163 HB2 HIS 21 1HB HIS 21 6.044 -0.983 11.686 164 HB3 HIS 21 2HB HIS 21 5.402 -1.717 13.197 165 HD1 HIS 21 HD1 HIS 21 7.055 -3.495 14.363 166 HD2 HIS 21 HD2 HIS 21 8.528 -1.467 11.080 167 HE1 HIS 21 HE1 HIS 21 9.593 -3.427 14.660 168 H ILE 22 H ILE 22 4.243 -1.712 9.343 169 HA ILE 22 HA ILE 22 5.880 -3.302 7.451 170 HB ILE 22 HB ILE 22 3.450 -3.686 7.490 171 HG12 ILE 22 1HG1 ILE 22 4.233 -2.627 4.806 172 HG13 ILE 22 2HG1 ILE 22 5.056 -4.008 5.522 173 HG21 ILE 22 1HG2 ILE 22 1.937 -2.084 6.404 174 HG22 ILE 22 2HG2 ILE 22 2.586 -1.421 7.922 175 HG23 ILE 22 3HG2 ILE 22 3.237 -0.870 6.360 176 HD11 ILE 22 3HD1 ILE 22 2.059 -3.767 5.083 177 HD12 ILE 22 1HD1 ILE 22 3.198 -4.726 4.109 178 HD13 ILE 22 2HD1 ILE 22 2.892 -5.164 5.807 179 H VAL 23 H VAL 23 7.343 -2.197 6.229 180 HA VAL 23 HA VAL 23 7.965 0.590 6.995 181 HB VAL 23 HB VAL 23 9.527 -1.264 7.079 182 HG11 VAL 23 1HG1 VAL 23 10.810 -1.786 5.058 183 HG12 VAL 23 2HG1 VAL 23 9.136 -2.378 4.926 184 HG13 VAL 23 3HG1 VAL 23 9.626 -0.899 4.066 185 HG21 VAL 23 3HG2 VAL 23 10.122 0.940 7.444 186 HG22 VAL 23 1HG2 VAL 23 11.363 0.132 6.456 187 HG23 VAL 23 2HG2 VAL 23 10.222 1.269 5.698 188 H CYS 24 H CYS 24 7.606 2.382 5.937 189 HA CYS 24 HA CYS 24 5.987 2.349 3.633 190 HB2 CYS 24 1HB CYS 24 5.816 4.021 5.454 191 HB3 CYS 24 2HB CYS 24 7.348 4.728 4.909 192 H LEU 25 H LEU 25 7.170 1.401 1.843 193 HA LEU 25 HA LEU 25 9.637 2.263 0.868 194 HB2 LEU 25 1HB LEU 25 7.182 1.208 -0.440 195 HB3 LEU 25 2HB LEU 25 8.561 1.821 -1.423 196 HG LEU 25 HG LEU 25 8.736 -0.630 -1.241 197 HD11 LEU 25 1HD1 LEU 25 10.898 -0.883 -0.391 198 HD12 LEU 25 2HD1 LEU 25 10.744 0.572 -1.407 199 HD13 LEU 25 3HD1 LEU 25 10.825 0.727 0.364 200 HD21 LEU 25 3HD2 LEU 25 7.415 -0.977 0.791 201 HD22 LEU 25 1HD2 LEU 25 9.007 -1.770 0.840 202 HD23 LEU 25 2HD2 LEU 25 8.735 -0.266 1.750 203 H GLU 26 H GLU 26 10.314 3.953 -0.442 204 HA GLU 26 HA GLU 26 10.444 6.001 -1.379 205 HB2 GLU 26 1HB GLU 26 8.013 5.362 -2.179 206 HB3 GLU 26 2HB GLU 26 7.590 6.707 -1.069 207 HG2 GLU 26 1HG GLU 26 7.900 7.996 -2.913 208 HG3 GLU 26 2HG GLU 26 9.615 7.830 -2.538 209 H CYS 27 H CYS 27 9.638 5.512 1.877 210 HA CYS 27 HA CYS 27 9.292 8.358 2.417 211 HB2 CYS 27 1HB CYS 27 7.039 6.927 2.436 212 HB3 CYS 27 2HB CYS 27 7.609 6.569 4.077 213 H GLY 28 H GLY 28 9.630 4.941 3.885 214 HA2 GLY 28 1HA GLY 28 11.667 4.331 5.018 215 HA3 GLY 28 2HA GLY 28 11.881 5.966 5.568 216 H GLY 29 H GLY 29 9.433 6.673 6.645 217 HA2 GLY 29 1HA GLY 29 9.271 5.606 9.214 218 HA3 GLY 29 2HA GLY 29 7.941 6.367 8.406 219 H SER 30 H SER 30 7.598 4.402 10.321 220 HA SER 30 HA SER 30 6.616 2.055 8.735 221 HB2 SER 30 1HB SER 30 8.791 1.633 9.944 222 HB3 SER 30 2HB SER 30 7.866 1.846 11.453 223 HG SER 30 HG SER 30 8.010 -0.388 10.611 224 H PHE 31 H PHE 31 4.866 0.991 9.544 225 HA PHE 31 HA PHE 31 3.164 1.950 11.745 226 HB2 PHE 31 1HB PHE 31 1.337 2.583 10.164 227 HB3 PHE 31 2HB PHE 31 2.651 3.775 10.443 228 HD1 PHE 31 HD1 PHE 31 2.459 0.857 7.976 229 HD2 PHE 31 HD2 PHE 31 2.656 5.100 8.578 230 HE1 PHE 31 HE1 PHE 31 3.738 1.096 5.878 231 HE2 PHE 31 HE2 PHE 31 3.773 5.338 6.391 232 HZ PHE 31 HZ PHE 31 3.978 3.350 4.907 233 H LYS 32 H LYS 32 1.109 0.820 11.887 234 HA LYS 32 HA LYS 32 1.126 -1.860 10.986 235 HB2 LYS 32 1HB LYS 32 -1.021 -2.113 11.889 236 HB3 LYS 32 2HB LYS 32 0.111 -1.276 13.010 237 HG2 LYS 32 1HG LYS 32 -1.927 0.332 11.432 238 HG3 LYS 32 2HG LYS 32 -2.399 -0.466 12.898 239 HD2 LYS 32 1HD LYS 32 -0.553 0.725 14.094 240 HD3 LYS 32 2HD LYS 32 -0.238 1.616 12.595 241 HE2 LYS 32 1HE LYS 32 -2.523 2.525 12.600 242 HE3 LYS 32 2HE LYS 32 -2.964 1.526 13.980 243 HZ1 LYS 32 3HZ LYS 32 -0.919 3.635 13.967 244 HZ2 LYS 32 1HZ LYS 32 -2.466 3.737 14.618 245 HZ3 LYS 32 2HZ LYS 32 -1.341 2.681 15.285 246 H SER 33 H SER 33 -0.626 1.016 9.588 247 HA SER 33 HA SER 33 -1.237 -0.708 7.266 248 HB2 SER 33 1HB SER 33 -3.408 0.464 7.051 249 HB3 SER 33 2HB SER 33 -3.262 -0.597 8.443 250 HG SER 33 HG SER 33 -4.234 1.437 8.944 251 H LEU 34 H LEU 34 0.242 -0.054 5.813 252 HA LEU 34 HA LEU 34 0.767 2.667 4.996 253 HB2 LEU 34 1HB LEU 34 2.349 1.045 4.576 254 HB3 LEU 34 2HB LEU 34 1.169 0.075 3.621 255 HG LEU 34 HG LEU 34 1.185 1.674 1.865 256 HD11 LEU 34 1HD1 LEU 34 2.608 3.666 1.834 257 HD12 LEU 34 2HD1 LEU 34 1.380 3.777 3.118 258 HD13 LEU 34 3HD1 LEU 34 3.064 3.380 3.531 259 HD21 LEU 34 3HD2 LEU 34 3.042 0.025 1.950 260 HD22 LEU 34 1HD2 LEU 34 3.599 1.555 1.231 261 HD23 LEU 34 2HD2 LEU 34 4.012 1.160 2.917 262 H LYS 35 H LYS 35 -1.827 0.269 4.092 263 HA LYS 35 HA LYS 35 -2.874 1.267 1.844 264 HB2 LYS 35 1HB LYS 35 -5.106 0.727 2.575 265 HB3 LYS 35 2HB LYS 35 -3.886 -0.551 2.892 266 HG2 LYS 35 1HG LYS 35 -4.440 -0.621 5.023 267 HG3 LYS 35 2HG LYS 35 -4.189 1.150 5.195 268 HD2 LYS 35 1HD LYS 35 -6.824 -0.132 4.293 269 HD3 LYS 35 2HD LYS 35 -6.504 0.404 5.913 270 HE2 LYS 35 1HE LYS 35 -5.990 2.746 4.751 271 HE3 LYS 35 2HE LYS 35 -6.912 2.079 3.443 272 HZ1 LYS 35 3HZ LYS 35 -7.799 2.317 6.212 273 HZ2 LYS 35 1HZ LYS 35 -8.227 3.285 4.906 274 HZ3 LYS 35 2HZ LYS 35 -8.694 1.671 4.944 275 H ARG 36 H ARG 36 -3.549 2.792 5.036 276 HA ARG 36 HA ARG 36 -5.067 5.017 3.995 277 HB2 ARG 36 1HB ARG 36 -5.223 3.903 6.277 278 HB3 ARG 36 2HB ARG 36 -3.816 4.887 6.698 279 HG2 ARG 36 1HG ARG 36 -5.023 6.819 6.712 280 HG3 ARG 36 2HG ARG 36 -5.949 6.373 5.270 281 HD2 ARG 36 1HD ARG 36 -7.713 5.820 6.605 282 HD3 ARG 36 2HD ARG 36 -6.743 4.579 7.381 283 HE ARG 36 HE ARG 36 -6.483 5.908 9.214 284 HH11 ARG 36 1HH1 ARG 36 -7.643 8.059 6.612 285 HH12 ARG 36 2HH1 ARG 36 -7.822 9.398 7.695 286 HH21 ARG 36 1HH2 ARG 36 -6.806 7.684 10.522 287 HH22 ARG 36 2HH2 ARG 36 -7.347 9.183 9.853 288 H HIS 37 H HIS 37 -1.936 5.139 5.775 289 HA HIS 37 HA HIS 37 -0.980 7.502 5.223 290 HB2 HIS 37 1HB HIS 37 0.262 6.085 6.559 291 HB3 HIS 37 2HB HIS 37 0.560 4.940 5.213 292 HD1 HIS 37 HD1 HIS 37 1.912 7.950 6.912 293 HD2 HIS 37 HD2 HIS 37 2.404 5.951 3.224 294 HE1 HIS 37 HE1 HIS 37 4.083 8.835 5.864 295 H LEU 38 H LEU 38 -0.706 4.761 2.976 296 HA LEU 38 HA LEU 38 0.657 5.893 0.792 297 HB2 LEU 38 1HB LEU 38 -0.144 3.514 1.321 298 HB3 LEU 38 2HB LEU 38 -1.626 4.004 0.422 299 HG LEU 38 HG LEU 38 0.235 2.690 -0.844 300 HD11 LEU 38 1HD1 LEU 38 -0.209 3.920 -2.891 301 HD12 LEU 38 2HD1 LEU 38 -1.699 3.756 -1.931 302 HD13 LEU 38 3HD1 LEU 38 -0.821 5.304 -1.955 303 HD21 LEU 38 3HD2 LEU 38 2.135 3.877 -0.030 304 HD22 LEU 38 1HD2 LEU 38 1.992 3.989 -1.800 305 HD23 LEU 38 2HD2 LEU 38 1.547 5.379 -0.782 306 H THR 39 H THR 39 -2.896 5.386 0.792 307 HA THR 39 HA THR 39 -3.509 7.204 -1.291 308 HB THR 39 HB THR 39 -5.403 6.251 0.882 309 HG1 THR 39 HG1 THR 39 -5.673 4.750 -1.196 310 HG21 THR 39 3HG2 THR 39 -5.882 7.088 -1.977 311 HG22 THR 39 1HG2 THR 39 -7.072 6.437 -0.825 312 HG23 THR 39 2HG2 THR 39 -6.329 8.026 -0.532 313 H THR 40 H THR 40 -3.172 7.893 2.184 314 HA THR 40 HA THR 40 -4.036 10.701 2.209 315 HB THR 40 HB THR 40 -2.017 9.371 4.026 316 HG1 THR 40 HG1 THR 40 -4.798 9.721 4.579 317 HG21 THR 40 3HG2 THR 40 -3.838 11.750 4.388 318 HG22 THR 40 1HG2 THR 40 -2.746 11.030 5.595 319 HG23 THR 40 2HG2 THR 40 -2.076 11.820 4.148 320 H HIS 41 H HIS 41 -0.666 9.420 2.078 321 HA HIS 41 HA HIS 41 0.231 12.195 1.464 322 HB2 HIS 41 1HB HIS 41 1.776 9.819 2.487 323 HB3 HIS 41 2HB HIS 41 2.527 11.308 2.001 324 HD2 HIS 41 HD2 HIS 41 2.795 10.439 4.888 325 HE1 HIS 41 HE1 HIS 41 0.130 13.571 5.831 326 HE2 HIS 41 HE2 HIS 41 2.009 12.052 6.731 327 H HIS 42 H HIS 42 1.751 9.167 0.402 328 HA HIS 42 HA HIS 42 2.493 9.918 -2.215 329 HB2 HIS 42 1HB HIS 42 1.727 7.125 -1.569 330 HB3 HIS 42 2HB HIS 42 3.068 7.773 -2.565 331 HD1 HIS 42 HD1 HIS 42 5.288 8.282 -1.429 332 HD2 HIS 42 HD2 HIS 42 2.210 7.167 1.240 333 HE1 HIS 42 HE1 HIS 42 6.384 7.897 0.862 334 H SER 43 H SER 43 -0.662 9.245 -0.906 335 HA SER 43 HA SER 43 -2.816 8.851 -1.808 336 HB2 SER 43 1HB SER 43 -3.662 10.161 -3.457 337 HB3 SER 43 2HB SER 43 -2.659 11.098 -2.406 338 HG SER 43 HG SER 43 -1.476 11.678 -3.996 339 H MET 44 H MET 44 -3.842 8.402 -4.280 340 HA MET 44 HA MET 44 -4.304 6.612 -5.811 341 HB2 MET 44 1HB MET 44 -1.423 5.871 -5.549 342 HB3 MET 44 2HB MET 44 -2.607 5.372 -6.800 343 HG2 MET 44 1HG MET 44 -2.645 7.633 -7.731 344 HG3 MET 44 2HG MET 44 -1.708 8.269 -6.407 345 HE1 MET 44 3HE MET 44 0.577 6.098 -5.970 346 HE2 MET 44 1HE MET 44 1.837 6.736 -7.053 347 HE3 MET 44 2HE MET 44 0.874 7.851 -6.055 348 H THR 45 H THR 45 -4.252 4.273 -6.132 349 HA THR 45 HA THR 45 -5.043 2.836 -3.637 350 HB THR 45 HB THR 45 -5.588 0.973 -5.161 351 HG1 THR 45 HG1 THR 45 -4.892 2.660 -7.341 352 HG21 THR 45 3HG2 THR 45 -6.720 3.647 -6.014 353 HG22 THR 45 1HG2 THR 45 -7.443 2.043 -6.281 354 HG23 THR 45 2HG2 THR 45 -7.277 2.679 -4.628 355 HA PRO 46 HA PRO 46 -1.334 0.730 -2.619 356 HB2 PRO 46 1HB PRO 46 -2.245 -1.734 -2.023 357 HB3 PRO 46 2HB PRO 46 -2.263 -0.266 -0.932 358 HG2 PRO 46 1HG PRO 46 -4.560 -1.426 -2.640 359 HG3 PRO 46 2HG PRO 46 -4.659 -0.869 -0.972 360 HD2 PRO 46 1HD PRO 46 -5.376 0.821 -2.974 361 HD3 PRO 46 2HD PRO 46 -4.468 1.454 -1.600 362 H GLU 47 H GLU 47 -3.545 -1.252 -4.675 363 HA GLU 47 HA GLU 47 -1.498 -2.828 -5.924 364 HB2 GLU 47 1HB GLU 47 -4.328 -2.310 -6.580 365 HB3 GLU 47 2HB GLU 47 -3.310 -2.822 -7.897 366 HG2 GLU 47 1HG GLU 47 -4.105 -4.850 -6.956 367 HG3 GLU 47 2HG GLU 47 -2.511 -4.740 -6.287 368 H GLU 48 H GLU 48 -2.852 0.348 -6.970 369 HA GLU 48 HA GLU 48 -1.254 0.614 -9.389 370 HB2 GLU 48 1HB GLU 48 -3.225 2.138 -8.213 371 HB3 GLU 48 2HB GLU 48 -1.804 3.111 -7.895 372 HG2 GLU 48 1HG GLU 48 -2.531 3.870 -9.938 373 HG3 GLU 48 2HG GLU 48 -1.224 2.725 -10.382 374 H TYR 49 H TYR 49 -0.676 1.625 -6.024 375 HA TYR 49 HA TYR 49 1.899 2.808 -6.382 376 HB2 TYR 49 1HB TYR 49 0.651 3.251 -4.368 377 HB3 TYR 49 2HB TYR 49 0.527 1.575 -3.959 378 HD1 TYR 49 HD1 TYR 49 3.155 4.202 -4.549 379 HD2 TYR 49 HD2 TYR 49 1.925 0.624 -2.518 380 HE1 TYR 49 HE1 TYR 49 5.117 4.389 -3.037 381 HE2 TYR 49 HE2 TYR 49 3.901 0.786 -1.033 382 HH TYR 49 HH TYR 49 5.782 3.827 -0.931 383 H ARG 50 H ARG 50 1.066 -0.651 -5.714 384 HA ARG 50 HA ARG 50 3.781 -1.625 -5.351 385 HB2 ARG 50 1HB ARG 50 3.172 -3.638 -5.448 386 HB3 ARG 50 2HB ARG 50 1.676 -2.787 -4.889 387 HG2 ARG 50 1HG ARG 50 0.912 -4.551 -6.304 388 HG3 ARG 50 2HG ARG 50 0.817 -3.142 -7.308 389 HD2 ARG 50 1HD ARG 50 2.436 -3.850 -8.715 390 HD3 ARG 50 2HD ARG 50 3.378 -4.643 -7.443 391 HE ARG 50 HE ARG 50 1.840 -6.506 -7.473 392 HH11 ARG 50 1HH1 ARG 50 1.575 -4.353 -10.314 393 HH12 ARG 50 2HH1 ARG 50 0.614 -5.555 -11.216 394 HH21 ARG 50 1HH2 ARG 50 0.703 -7.984 -8.702 395 HH22 ARG 50 2HH2 ARG 50 0.139 -7.542 -10.336 396 H GLU 51 H GLU 51 1.977 -0.878 -8.319 397 HA GLU 51 HA GLU 51 3.786 -1.883 -10.330 398 HB2 GLU 51 1HB GLU 51 2.012 0.542 -10.288 399 HB3 GLU 51 2HB GLU 51 2.905 -0.060 -11.722 400 HG2 GLU 51 1HG GLU 51 1.133 -2.038 -10.348 401 HG3 GLU 51 2HG GLU 51 0.321 -0.729 -11.193 402 H LYS 52 H LYS 52 3.844 1.245 -8.591 403 HA LYS 52 HA LYS 52 6.053 2.509 -9.934 404 HB2 LYS 52 1HB LYS 52 4.693 3.782 -8.597 405 HB3 LYS 52 2HB LYS 52 4.982 2.738 -7.162 406 HG2 LYS 52 1HG LYS 52 6.190 4.957 -7.002 407 HG3 LYS 52 2HG LYS 52 7.299 3.630 -6.984 408 HD2 LYS 52 1HD LYS 52 7.626 4.018 -9.503 409 HD3 LYS 52 2HD LYS 52 6.738 5.509 -9.280 410 HE2 LYS 52 1HE LYS 52 9.133 4.876 -7.510 411 HE3 LYS 52 2HE LYS 52 9.328 5.608 -9.075 412 HZ1 LYS 52 3HZ LYS 52 7.728 6.674 -6.877 413 HZ2 LYS 52 1HZ LYS 52 9.248 7.185 -7.383 414 HZ3 LYS 52 2HZ LYS 52 7.916 7.381 -8.391 415 H TRP 53 H TRP 53 6.153 0.622 -6.891 416 HA TRP 53 HA TRP 53 9.088 0.396 -7.020 417 HB2 TRP 53 1HB TRP 53 6.965 -0.540 -5.073 418 HB3 TRP 53 2HB TRP 53 8.641 -1.037 -4.908 419 HD1 TRP 53 HD1 TRP 53 6.449 2.114 -4.785 420 HE1 TRP 53 HE1 TRP 53 7.826 4.082 -3.889 421 HE3 TRP 53 HE3 TRP 53 10.848 -0.289 -4.351 422 HZ2 TRP 53 HZ2 TRP 53 10.495 4.473 -3.024 423 HZ3 TRP 53 HZ3 TRP 53 12.838 0.903 -3.457 424 HH2 TRP 53 HH2 TRP 53 12.656 3.293 -2.814 425 H ASP 54 H ASP 54 6.985 -1.120 -8.890 426 HA ASP 54 HA ASP 54 6.713 -3.255 -9.930 427 HB2 ASP 54 1HB ASP 54 9.688 -3.591 -9.472 428 HB3 ASP 54 2HB ASP 54 8.718 -4.238 -10.750 429 H LEU 55 H LEU 55 6.089 -3.191 -7.145 430 HA LEU 55 HA LEU 55 7.564 -5.092 -5.581 431 HB2 LEU 55 1HB LEU 55 5.846 -3.032 -5.154 432 HB3 LEU 55 2HB LEU 55 4.936 -4.467 -4.584 433 HG LEU 55 HG LEU 55 6.825 -5.047 -3.055 434 HD11 LEU 55 1HD1 LEU 55 8.687 -3.565 -2.733 435 HD12 LEU 55 2HD1 LEU 55 8.689 -4.186 -4.400 436 HD13 LEU 55 3HD1 LEU 55 8.141 -2.525 -4.069 437 HD21 LEU 55 3HD2 LEU 55 5.026 -3.557 -2.286 438 HD22 LEU 55 1HD2 LEU 55 6.596 -3.160 -1.548 439 HD23 LEU 55 2HD2 LEU 55 5.952 -2.153 -2.866 440 HA PRO 56 HA PRO 56 5.827 -8.801 -7.498 441 HB2 PRO 56 1HB PRO 56 7.181 -10.609 -6.049 442 HB3 PRO 56 2HB PRO 56 7.951 -9.686 -7.336 443 HG2 PRO 56 1HG PRO 56 7.996 -9.135 -4.328 444 HG3 PRO 56 2HG PRO 56 9.356 -9.149 -5.450 445 HD2 PRO 56 1HD PRO 56 8.066 -6.757 -4.776 446 HD3 PRO 56 2HD PRO 56 8.654 -7.022 -6.486 447 H VAL 57 H VAL 57 4.540 -10.393 -7.127 448 HA VAL 57 HA VAL 57 2.498 -11.185 -6.448 449 HB VAL 57 HB VAL 57 4.103 -12.405 -5.111 450 HG11 VAL 57 1HG1 VAL 57 3.947 -12.286 -2.670 451 HG12 VAL 57 2HG1 VAL 57 4.676 -10.807 -3.340 452 HG13 VAL 57 3HG1 VAL 57 2.982 -10.796 -2.793 453 HG21 VAL 57 3HG2 VAL 57 1.989 -13.225 -5.624 454 HG22 VAL 57 1HG2 VAL 57 2.399 -13.617 -3.938 455 HG23 VAL 57 2HG2 VAL 57 1.244 -12.310 -4.292 456 H ASP 58 H ASP 58 2.803 -8.213 -6.397 457 HA ASP 58 HA ASP 58 1.764 -6.282 -5.660 458 HB2 ASP 58 1HB ASP 58 -0.622 -6.312 -5.337 459 HB3 ASP 58 2HB ASP 58 0.059 -6.894 -6.894 460 H TYR 59 H TYR 59 3.303 -7.416 -3.737 461 HA TYR 59 HA TYR 59 2.913 -7.996 -1.238 462 HB2 TYR 59 1HB TYR 59 5.040 -7.101 -2.075 463 HB3 TYR 59 2HB TYR 59 4.416 -5.476 -2.068 464 HD1 TYR 59 HD1 TYR 59 5.298 -8.348 0.103 465 HD2 TYR 59 HD2 TYR 59 4.361 -4.164 -0.122 466 HE1 TYR 59 HE1 TYR 59 5.638 -8.144 2.552 467 HE2 TYR 59 HE2 TYR 59 4.736 -3.948 2.318 468 HH TYR 59 HH TYR 59 5.709 -4.877 4.068 469 HA PRO 60 HA PRO 60 -0.631 -5.792 0.359 470 HB2 PRO 60 1HB PRO 60 -0.547 -6.695 2.925 471 HB3 PRO 60 2HB PRO 60 -1.102 -7.717 1.600 472 HG2 PRO 60 1HG PRO 60 1.670 -7.628 2.887 473 HG3 PRO 60 2HG PRO 60 0.696 -9.044 2.502 474 HD2 PRO 60 1HD PRO 60 2.677 -8.121 0.741 475 HD3 PRO 60 2HD PRO 60 1.112 -8.802 0.081 476 H MET 61 H MET 61 -0.973 -3.890 1.147 477 HA MET 61 HA MET 61 1.324 -2.372 2.449 478 HB2 MET 61 1HB MET 61 -1.270 -1.296 1.346 479 HB3 MET 61 2HB MET 61 0.095 -0.384 1.917 480 HG2 MET 61 1HG MET 61 -0.035 -2.187 -0.477 481 HG3 MET 61 2HG MET 61 0.178 -0.407 -0.406 482 HE1 MET 61 3HE MET 61 2.037 -1.145 -2.326 483 HE2 MET 61 1HE MET 61 3.465 -2.136 -1.946 484 HE3 MET 61 2HE MET 61 1.845 -2.874 -1.949 485 H VAL 62 H VAL 62 -0.968 -4.362 3.658 486 HA VAL 62 HA VAL 62 -1.347 -2.579 6.048 487 HB VAL 62 HB VAL 62 -3.185 -4.934 5.588 488 HG11 VAL 62 1HG1 VAL 62 -4.728 -3.471 6.872 489 HG12 VAL 62 2HG1 VAL 62 -3.199 -3.713 7.749 490 HG13 VAL 62 3HG1 VAL 62 -3.497 -2.186 6.885 491 HG21 VAL 62 3HG2 VAL 62 -3.398 -3.833 3.479 492 HG22 VAL 62 1HG2 VAL 62 -4.854 -3.620 4.480 493 HG23 VAL 62 2HG2 VAL 62 -3.700 -2.280 4.292 494 H ALA 63 H ALA 63 -0.905 -3.532 8.028 495 HA ALA 63 HA ALA 63 0.946 -5.050 8.940 496 HB1 ALA 63 3HB ALA 63 -1.936 -5.620 9.694 497 HB2 ALA 63 1HB ALA 63 -0.513 -6.027 10.681 498 HB3 ALA 63 2HB ALA 63 -0.899 -4.324 10.336 499 HA PRO 64 HA PRO 64 1.823 -8.681 6.831 500 HB2 PRO 64 1HB PRO 64 2.726 -10.329 8.776 501 HB3 PRO 64 2HB PRO 64 3.661 -9.009 7.925 502 HG2 PRO 64 1HG PRO 64 2.266 -8.916 10.677 503 HG3 PRO 64 2HG PRO 64 3.868 -8.302 10.281 504 HD2 PRO 64 1HD PRO 64 1.770 -6.583 10.289 505 HD3 PRO 64 2HD PRO 64 2.981 -6.444 9.017 506 H ALA 65 H ALA 65 -0.102 -9.273 9.785 507 HA ALA 65 HA ALA 65 -1.544 -11.390 8.194 508 HB1 ALA 65 3HB ALA 65 -0.941 -11.378 11.155 509 HB2 ALA 65 1HB ALA 65 -1.961 -12.570 10.313 510 HB3 ALA 65 2HB ALA 65 -0.233 -12.435 9.910 511 H TYR 66 H TYR 66 -2.234 -8.521 8.331 512 HA TYR 66 HA TYR 66 -4.220 -7.806 10.186 513 HB2 TYR 66 1HB TYR 66 -3.267 -6.217 8.713 514 HB3 TYR 66 2HB TYR 66 -3.956 -7.049 7.282 515 HD1 TYR 66 HD1 TYR 66 -4.939 -5.218 10.412 516 HD2 TYR 66 HD2 TYR 66 -6.043 -6.429 6.444 517 HE1 TYR 66 HE1 TYR 66 -7.026 -3.892 10.590 518 HE2 TYR 66 HE2 TYR 66 -8.122 -5.091 6.613 519 HH TYR 66 HH TYR 66 -8.464 -2.603 8.662 520 H ALA 67 H ALA 67 -4.802 -9.284 6.997 521 HA ALA 67 HA ALA 67 -7.136 -10.811 8.017 522 HB1 ALA 67 3HB ALA 67 -7.496 -8.727 5.851 523 HB2 ALA 67 1HB ALA 67 -8.693 -9.949 6.339 524 HB3 ALA 67 2HB ALA 67 -8.191 -8.686 7.489 525 H GLU 68 H GLU 68 -5.658 -12.397 7.629 526 HA GLU 68 HA GLU 68 -4.583 -14.179 6.451 527 HB2 GLU 68 1HB GLU 68 -7.061 -14.266 5.853 528 HB3 GLU 68 2HB GLU 68 -6.509 -13.688 4.246 529 HG2 GLU 68 1HG GLU 68 -6.649 -16.110 4.126 530 HG3 GLU 68 2HG GLU 68 -4.947 -15.723 4.198 531 H ALA 69 H ALA 69 -3.495 -11.470 6.062 532 HA ALA 69 HA ALA 69 -2.401 -10.061 4.592 533 HB1 ALA 69 3HB ALA 69 -1.050 -12.684 4.017 534 HB2 ALA 69 1HB ALA 69 -0.393 -11.074 3.639 535 HB3 ALA 69 2HB ALA 69 -0.696 -11.536 5.331 536 H ARG 70 H ARG 70 -4.886 -10.947 3.326 537 HA ARG 70 HA ARG 70 -4.237 -10.593 0.394 538 HB2 ARG 70 1HB ARG 70 -4.151 -13.162 1.366 539 HB3 ARG 70 2HB ARG 70 -5.848 -13.036 1.021 540 HG2 ARG 70 1HG ARG 70 -5.392 -12.407 -1.269 541 HG3 ARG 70 2HG ARG 70 -3.640 -12.422 -0.935 542 HD2 ARG 70 1HD ARG 70 -4.013 -14.854 -0.093 543 HD3 ARG 70 2HD ARG 70 -5.588 -14.764 -0.904 544 HE ARG 70 HE ARG 70 -3.073 -14.137 -2.403 545 HH11 ARG 70 1HH1 ARG 70 -6.071 -16.093 -2.169 546 HH12 ARG 70 2HH1 ARG 70 -5.724 -16.921 -3.711 547 HH21 ARG 70 1HH2 ARG 70 -2.718 -15.222 -4.309 548 HH22 ARG 70 2HH2 ARG 70 -3.885 -16.441 -4.884 549 H SER 71 H SER 71 -5.494 -8.762 1.935 550 HA SER 71 HA SER 71 -7.459 -7.625 2.410 551 HB2 SER 71 1HB SER 71 -8.787 -6.983 0.501 552 HB3 SER 71 2HB SER 71 -7.082 -6.967 0.127 553 HG SER 71 HG SER 71 -8.802 -7.998 -1.373 554 H ARG 72 H ARG 72 -7.685 -10.100 3.541 555 HA ARG 72 HA ARG 72 -9.070 -11.708 4.407 556 HB2 ARG 72 1HB ARG 72 -10.293 -9.459 4.961 557 HB3 ARG 72 2HB ARG 72 -11.518 -10.064 3.850 558 HG2 ARG 72 1HG ARG 72 -11.380 -12.286 5.250 559 HG3 ARG 72 2HG ARG 72 -10.583 -11.295 6.459 560 HD2 ARG 72 1HD ARG 72 -12.479 -9.770 6.504 561 HD3 ARG 72 2HD ARG 72 -13.291 -10.747 5.240 562 HE ARG 72 HE ARG 72 -12.401 -12.367 7.501 563 HH11 ARG 72 1HH1 ARG 72 -15.232 -10.774 6.073 564 HH12 ARG 72 2HH1 ARG 72 -16.311 -11.326 7.382 565 HH21 ARG 72 1HH2 ARG 72 -13.827 -13.178 9.013 566 HH22 ARG 72 2HH2 ARG 72 -15.535 -12.661 9.003 567 H LEU 73 H LEU 73 -8.593 -11.771 1.496 568 HA LEU 73 HA LEU 73 -9.144 -12.914 -0.441 569 HB2 LEU 73 1HB LEU 73 -9.462 -14.754 1.172 570 HB3 LEU 73 2HB LEU 73 -11.222 -14.451 1.008 571 HG LEU 73 HG LEU 73 -9.613 -14.791 -1.484 572 HD11 LEU 73 1HD1 LEU 73 -9.831 -17.264 -1.284 573 HD12 LEU 73 2HD1 LEU 73 -8.797 -16.601 0.005 574 HD13 LEU 73 3HD1 LEU 73 -10.477 -17.066 0.363 575 HD21 LEU 73 3HD2 LEU 73 -12.038 -14.311 -1.587 576 HD22 LEU 73 1HD2 LEU 73 -11.675 -15.933 -2.225 577 HD23 LEU 73 2HD2 LEU 73 -12.365 -15.753 -0.594 578 H ALA 74 H ALA 74 -10.195 -12.374 -2.141 579 HA ALA 74 HA ALA 74 -11.543 -11.080 -3.567 580 HB1 ALA 74 3HB ALA 74 -13.712 -11.762 -1.653 581 HB2 ALA 74 1HB ALA 74 -13.892 -11.037 -3.269 582 HB3 ALA 74 2HB ALA 74 -13.193 -12.665 -3.097 583 H LYS 75 H LYS 75 -13.699 -9.307 -2.775 584 HA LYS 75 HA LYS 75 -13.898 -6.940 -2.597 585 HB2 LYS 75 1HB LYS 75 -13.898 -8.101 -0.163 586 HB3 LYS 75 2HB LYS 75 -12.629 -6.912 0.039 587 HG2 LYS 75 1HG LYS 75 -14.128 -5.128 -0.744 588 HG3 LYS 75 2HG LYS 75 -15.408 -6.313 -1.038 589 HD2 LYS 75 1HD LYS 75 -15.362 -6.913 1.435 590 HD3 LYS 75 2HD LYS 75 -14.162 -5.687 1.702 591 HE2 LYS 75 1HE LYS 75 -16.245 -4.706 2.299 592 HE3 LYS 75 2HE LYS 75 -15.871 -3.987 0.761 593 HZ1 LYS 75 3HZ LYS 75 -17.673 -6.245 1.201 594 HZ2 LYS 75 1HZ LYS 75 -18.088 -4.644 0.897 595 HZ3 LYS 75 2HZ LYS 75 -17.312 -5.550 -0.286 596 H GLU 76 H GLU 76 -12.520 -6.602 -4.356 597 HA GLU 76 HA GLU 76 -9.697 -6.212 -4.242 598 HB2 GLU 76 1HB GLU 76 -9.858 -5.167 -6.368 599 HB3 GLU 76 2HB GLU 76 -10.944 -6.592 -6.281 600 HG2 GLU 76 1HG GLU 76 -12.918 -5.136 -6.185 601 HG3 GLU 76 2HG GLU 76 -11.949 -3.710 -5.993 602 H MET 77 H MET 77 -8.449 -4.312 -4.635 603 HA MET 77 HA MET 77 -8.503 -2.263 -2.649 604 HB2 MET 77 1HB MET 77 -6.930 -1.110 -3.821 605 HB3 MET 77 2HB MET 77 -6.607 -2.868 -4.025 606 HG2 MET 77 1HG MET 77 -7.838 -1.043 -6.091 607 HG3 MET 77 2HG MET 77 -6.122 -1.569 -6.032 608 HE1 MET 77 3HE MET 77 -6.400 -2.234 -8.585 609 HE2 MET 77 1HE MET 77 -7.635 -3.361 -9.190 610 HE3 MET 77 2HE MET 77 -8.118 -1.775 -8.547 611 H GLY 78 H GLY 78 -9.320 -0.470 -2.250 612 HA2 GLY 78 1HA GLY 78 -10.339 1.662 -3.247 613 HA3 GLY 78 2HA GLY 78 -11.480 0.565 -4.078 614 H LEU 79 H LEU 79 -13.367 0.973 -3.113 615 HA LEU 79 HA LEU 79 -13.649 0.420 -0.141 616 HB2 LEU 79 1HB LEU 79 -15.238 2.270 0.015 617 HB3 LEU 79 2HB LEU 79 -13.518 2.733 -0.191 618 HG LEU 79 HG LEU 79 -14.437 2.788 -2.798 619 HD11 LEU 79 1HD1 LEU 79 -16.533 4.027 -2.788 620 HD12 LEU 79 2HD1 LEU 79 -16.767 2.407 -2.088 621 HD13 LEU 79 3HD1 LEU 79 -16.666 3.831 -1.025 622 HD21 LEU 79 3HD2 LEU 79 -12.980 4.383 -1.755 623 HD22 LEU 79 1HD2 LEU 79 -14.340 5.177 -2.582 624 HD23 LEU 79 2HD2 LEU 79 -14.339 5.035 -0.808 625 H GLY 80 H GLY 80 -15.076 -0.999 0.315 626 HA2 GLY 80 1HA GLY 80 -16.849 -2.345 -1.512 627 HA3 GLY 80 2HA GLY 80 -17.030 -2.332 0.236 628 H GLN 81 H GLN 81 -18.133 -0.589 1.246 629 HA GLN 81 HA GLN 81 -20.029 0.969 -0.564 630 HB2 GLN 81 1HB GLN 81 -20.576 -0.446 2.041 631 HB3 GLN 81 2HB GLN 81 -21.453 0.999 1.652 632 HG2 GLN 81 1HG GLN 81 -22.698 -0.848 0.955 633 HG3 GLN 81 2HG GLN 81 -22.097 -0.017 -0.516 634 HE21 GLN 81 1HE2 GLN 81 -22.103 -1.587 -1.988 635 HE22 GLN 81 2HE2 GLN 81 -21.208 -3.123 -1.829 636 H ARG 82 H ARG 82 -19.892 2.994 -0.575 637 HA ARG 82 HA ARG 82 -18.225 4.674 1.216 638 HB2 ARG 82 1HB ARG 82 -19.151 6.525 -0.137 639 HB3 ARG 82 2HB ARG 82 -18.393 5.300 -1.100 640 HG2 ARG 82 1HG ARG 82 -20.445 4.503 -1.940 641 HG3 ARG 82 2HG ARG 82 -21.380 5.255 -0.659 642 HD2 ARG 82 1HD ARG 82 -20.788 7.500 -1.529 643 HD3 ARG 82 2HD ARG 82 -19.832 6.753 -2.810 644 HE ARG 82 HE ARG 82 -21.742 6.444 -3.993 645 HH11 ARG 82 1HH1 ARG 82 -22.824 6.664 -0.571 646 HH12 ARG 82 2HH1 ARG 82 -24.531 6.449 -1.043 647 HH21 ARG 82 1HH2 ARG 82 -23.892 6.224 -4.476 648 HH22 ARG 82 2HH2 ARG 82 -25.113 6.212 -3.175 649 H ARG 83 H ARG 83 -19.677 3.340 2.963 650 HA ARG 83 HA ARG 83 -21.423 5.322 4.276 651 HB2 ARG 83 1HB ARG 83 -22.518 3.362 2.469 652 HB3 ARG 83 2HB ARG 83 -22.912 2.839 4.138 653 HG2 ARG 83 1HG ARG 83 -23.598 5.629 3.081 654 HG3 ARG 83 2HG ARG 83 -24.707 4.298 2.996 655 HD2 ARG 83 1HD ARG 83 -24.553 4.040 5.447 656 HD3 ARG 83 2HD ARG 83 -23.523 5.506 5.474 657 HE ARG 83 HE ARG 83 -25.482 6.598 4.161 658 HH11 ARG 83 1HH1 ARG 83 -26.050 4.171 6.746 659 HH12 ARG 83 2HH1 ARG 83 -27.713 4.761 7.012 660 HH21 ARG 83 1HH2 ARG 83 -27.555 7.280 4.587 661 HH22 ARG 83 2HH2 ARG 83 -28.534 6.461 5.834 662 H LYS 84 H LYS 84 -21.377 5.018 6.436 663 HA LYS 84 HA LYS 84 -19.979 2.582 7.451 664 HB2 LYS 84 1HB LYS 84 -19.645 5.149 8.188 665 HB3 LYS 84 2HB LYS 84 -20.860 4.684 9.368 666 HG2 LYS 84 1HG LYS 84 -18.421 2.988 8.847 667 HG3 LYS 84 2HG LYS 84 -18.426 4.363 9.995 668 HD2 LYS 84 1HD LYS 84 -20.008 3.273 11.422 669 HD3 LYS 84 2HD LYS 84 -20.375 2.043 10.206 670 HE2 LYS 84 1HE LYS 84 -18.149 1.063 10.436 671 HE3 LYS 84 2HE LYS 84 -17.617 2.384 11.473 672 HZ1 LYS 84 3HZ LYS 84 -19.752 0.461 12.094 673 HZ2 LYS 84 1HZ LYS 84 -18.190 0.463 12.718 674 HZ3 LYS 84 2HZ LYS 84 -19.244 1.721 13.083 675 H ALA 85 H ALA 85 -21.722 1.321 6.675 676 HA ALA 85 HA ALA 85 -24.370 1.345 7.953 677 HB1 ALA 85 3HB ALA 85 -22.959 -0.756 6.273 678 HB2 ALA 85 1HB ALA 85 -24.679 -0.768 6.728 679 HB3 ALA 85 2HB ALA 85 -24.047 0.516 5.671 680 H ASN 86 H ASN 86 -25.012 0.381 9.680 681 HA ASN 86 HA ASN 86 -25.002 -0.734 11.787 682 HB2 ASN 86 1HB ASN 86 -23.838 -2.603 10.090 683 HB3 ASN 86 2HB ASN 86 -22.850 -2.545 11.559 684 HD21 ASN 86 1HD2 ASN 86 -25.887 -3.435 10.152 685 HD22 ASN 86 2HD2 ASN 86 -26.723 -3.929 11.649 686 H ARG 87 H ARG 87 -24.054 -0.819 13.755 687 HA ARG 87 HA ARG 87 -21.640 1.046 14.065 688 HB2 ARG 87 1HB ARG 87 -23.779 2.065 14.582 689 HB3 ARG 87 2HB ARG 87 -24.095 0.764 15.776 690 HG2 ARG 87 1HG ARG 87 -22.162 1.509 17.097 691 HG3 ARG 87 2HG ARG 87 -21.825 2.783 15.909 692 HD2 ARG 87 1HD ARG 87 -23.863 3.934 16.418 693 HD3 ARG 87 2HD ARG 87 -24.511 2.547 17.316 694 HE ARG 87 HE ARG 87 -22.044 3.330 18.521 695 HH11 ARG 87 1HH1 ARG 87 -25.195 4.932 18.003 696 HH12 ARG 87 2HH1 ARG 87 -25.159 5.691 19.618 697 HH21 ARG 87 1HH2 ARG 87 -22.044 4.370 20.510 698 HH22 ARG 87 2HH2 ARG 87 -23.431 5.386 20.989 Start of MODEL 2 1 H1 ALA 1 1H ALA 1 7.918 10.306 0.683 2 HA ALA 1 HA ALA 1 5.546 11.762 1.235 3 HB1 ALA 1 3HB ALA 1 8.075 13.424 1.332 4 HB2 ALA 1 1HB ALA 1 6.419 14.070 1.248 5 HB3 ALA 1 2HB ALA 1 6.934 13.122 2.663 6 H VAL 2 H VAL 2 5.909 10.156 -0.727 7 HA VAL 2 HA VAL 2 6.110 9.713 -3.063 8 HB VAL 2 HB VAL 2 4.179 11.225 -2.763 9 HG11 VAL 2 1HG1 VAL 2 4.143 13.087 -4.344 10 HG12 VAL 2 2HG1 VAL 2 5.250 13.415 -2.989 11 HG13 VAL 2 3HG1 VAL 2 5.901 12.939 -4.575 12 HG21 VAL 2 3HG2 VAL 2 4.347 9.432 -4.249 13 HG22 VAL 2 1HG2 VAL 2 3.687 10.854 -5.091 14 HG23 VAL 2 2HG2 VAL 2 5.379 10.370 -5.355 15 H ASN 3 H ASN 3 7.154 10.122 -5.084 16 HA ASN 3 HA ASN 3 9.997 10.902 -4.675 17 HB2 ASN 3 1HB ASN 3 9.337 8.909 -5.958 18 HB3 ASN 3 2HB ASN 3 8.676 9.962 -7.201 19 HD21 ASN 3 1HD2 ASN 3 10.009 9.974 -8.873 20 HD22 ASN 3 2HD2 ASN 3 11.750 10.352 -8.770 21 H VAL 4 H VAL 4 9.275 13.090 -3.994 22 HA VAL 4 HA VAL 4 9.486 14.941 -6.391 23 HB VAL 4 HB VAL 4 7.305 15.067 -5.538 24 HG11 VAL 4 1HG1 VAL 4 6.791 16.110 -3.380 25 HG12 VAL 4 2HG1 VAL 4 7.591 14.536 -3.156 26 HG13 VAL 4 3HG1 VAL 4 8.510 16.043 -2.925 27 HG21 VAL 4 3HG2 VAL 4 8.219 16.891 -6.675 28 HG22 VAL 4 1HG2 VAL 4 7.178 17.458 -5.347 29 HG23 VAL 4 2HG2 VAL 4 8.949 17.528 -5.183 30 H GLU 5 H GLU 5 11.731 14.356 -6.114 31 HA GLU 5 HA GLU 5 13.966 14.804 -5.464 32 HB2 GLU 5 1HB GLU 5 13.202 16.966 -6.258 33 HB3 GLU 5 2HB GLU 5 12.826 17.414 -4.563 34 HG2 GLU 5 1HG GLU 5 15.231 17.077 -3.988 35 HG3 GLU 5 2HG GLU 5 15.574 16.735 -5.687 36 H LYS 6 H LYS 6 13.507 13.039 -3.991 37 HA LYS 6 HA LYS 6 14.701 13.418 -1.371 38 HB2 LYS 6 1HB LYS 6 11.892 13.833 -1.317 39 HB3 LYS 6 2HB LYS 6 12.379 12.419 -0.354 40 HG2 LYS 6 1HG LYS 6 13.923 13.728 0.968 41 HG3 LYS 6 2HG LYS 6 13.933 15.049 -0.183 42 HD2 LYS 6 1HD LYS 6 11.542 15.546 0.401 43 HD3 LYS 6 2HD LYS 6 11.589 14.263 1.598 44 HE2 LYS 6 1HE LYS 6 13.605 16.552 1.664 45 HE3 LYS 6 2HE LYS 6 12.051 16.660 2.447 46 HZ1 LYS 6 3HZ LYS 6 14.093 14.631 2.965 47 HZ2 LYS 6 1HZ LYS 6 13.719 15.969 3.912 48 HZ3 LYS 6 2HZ LYS 6 12.594 14.735 3.721 49 H GLN 7 H GLN 7 12.015 11.235 -2.263 50 HA GLN 7 HA GLN 7 11.922 8.891 -2.632 51 HB2 GLN 7 1HB GLN 7 12.971 9.501 -4.664 52 HB3 GLN 7 2HB GLN 7 14.588 9.449 -3.881 53 HG2 GLN 7 1HG GLN 7 14.490 7.489 -5.092 54 HG3 GLN 7 2HG GLN 7 14.046 6.984 -3.427 55 HE21 GLN 7 1HE2 GLN 7 13.612 5.602 -5.937 56 HE22 GLN 7 2HE2 GLN 7 11.850 5.340 -6.023 57 H LYS 8 H LYS 8 11.792 8.118 -0.543 58 HA LYS 8 HA LYS 8 14.451 7.208 0.700 59 HB2 LYS 8 1HB LYS 8 11.895 7.723 2.126 60 HB3 LYS 8 2HB LYS 8 13.346 7.025 2.799 61 HG2 LYS 8 1HG LYS 8 14.498 9.221 1.803 62 HG3 LYS 8 2HG LYS 8 12.864 9.844 1.884 63 HD2 LYS 8 1HD LYS 8 13.555 10.378 4.040 64 HD3 LYS 8 2HD LYS 8 13.004 8.772 4.390 65 HE2 LYS 8 1HE LYS 8 15.835 9.543 3.728 66 HE3 LYS 8 2HE LYS 8 15.144 9.219 5.350 67 HZ1 LYS 8 3HZ LYS 8 15.413 7.277 3.157 68 HZ2 LYS 8 1HZ LYS 8 16.389 7.381 4.523 69 HZ3 LYS 8 2HZ LYS 8 14.764 6.974 4.678 70 HA PRO 9 HA PRO 9 12.901 3.182 -0.793 71 HB2 PRO 9 1HB PRO 9 15.338 2.021 -1.089 72 HB3 PRO 9 2HB PRO 9 14.651 3.070 -2.329 73 HG2 PRO 9 1HG PRO 9 16.696 3.773 -0.173 74 HG3 PRO 9 2HG PRO 9 16.724 4.196 -1.884 75 HD2 PRO 9 1HD PRO 9 15.735 5.957 0.067 76 HD3 PRO 9 2HD PRO 9 15.023 5.913 -1.609 77 H ALA 10 H ALA 10 11.999 2.184 0.778 78 HA ALA 10 HA ALA 10 13.195 1.850 3.474 79 HB1 ALA 10 3HB ALA 10 10.644 0.842 2.216 80 HB2 ALA 10 1HB ALA 10 11.069 0.766 3.942 81 HB3 ALA 10 2HB ALA 10 10.850 2.344 3.148 82 H VAL 11 H VAL 11 15.029 0.886 2.073 83 HA VAL 11 HA VAL 11 16.387 -0.849 1.437 84 HB VAL 11 HB VAL 11 14.880 -2.723 3.278 85 HG11 VAL 11 1HG1 VAL 11 17.083 -3.637 3.644 86 HG12 VAL 11 2HG1 VAL 11 16.675 -3.706 1.912 87 HG13 VAL 11 3HG1 VAL 11 17.795 -2.461 2.514 88 HG21 VAL 11 3HG2 VAL 11 15.213 -0.654 4.515 89 HG22 VAL 11 1HG2 VAL 11 16.267 -1.974 5.075 90 HG23 VAL 11 2HG2 VAL 11 16.935 -0.669 4.067 91 H SER 12 H SER 12 16.023 -3.476 0.740 92 HA SER 12 HA SER 12 14.226 -3.542 -1.595 93 HB2 SER 12 1HB SER 12 16.492 -4.709 -1.426 94 HB3 SER 12 2HB SER 12 15.787 -5.812 -0.254 95 HG SER 12 HG SER 12 14.369 -5.457 -2.704 96 H VAL 13 H VAL 13 12.766 -5.392 -1.931 97 HA VAL 13 HA VAL 13 10.665 -5.740 0.030 98 HB VAL 13 HB VAL 13 10.434 -5.816 -2.381 99 HG11 VAL 13 1HG1 VAL 13 10.847 -7.900 -3.612 100 HG12 VAL 13 2HG1 VAL 13 12.371 -7.180 -3.041 101 HG13 VAL 13 3HG1 VAL 13 11.678 -8.583 -2.194 102 HG21 VAL 13 3HG2 VAL 13 8.662 -6.462 -1.035 103 HG22 VAL 13 1HG2 VAL 13 8.759 -7.511 -2.469 104 HG23 VAL 13 2HG2 VAL 13 9.299 -8.116 -0.885 105 H ARG 14 H ARG 14 10.269 -8.569 -0.077 106 HA ARG 14 HA ARG 14 10.746 -10.609 1.034 107 HB2 ARG 14 1HB ARG 14 12.827 -10.447 -0.186 108 HB3 ARG 14 2HB ARG 14 13.551 -9.669 1.265 109 HG2 ARG 14 1HG ARG 14 13.108 -11.666 2.553 110 HG3 ARG 14 2HG ARG 14 12.395 -12.444 1.095 111 HD2 ARG 14 1HD ARG 14 14.599 -12.077 -0.114 112 HD3 ARG 14 2HD ARG 14 15.288 -11.406 1.359 113 HE ARG 14 HE ARG 14 14.235 -13.981 1.961 114 HH11 ARG 14 1HH1 ARG 14 16.964 -12.502 0.157 115 HH12 ARG 14 2HH1 ARG 14 17.959 -13.974 0.325 116 HH21 ARG 14 1HH2 ARG 14 15.566 -15.779 2.130 117 HH22 ARG 14 2HH2 ARG 14 17.195 -15.763 1.404 118 H LYS 15 H LYS 15 12.476 -7.919 2.662 119 HA LYS 15 HA LYS 15 11.320 -8.812 5.347 120 HB2 LYS 15 1HB LYS 15 13.899 -8.584 4.811 121 HB3 LYS 15 2HB LYS 15 13.580 -6.872 5.056 122 HG2 LYS 15 1HG LYS 15 12.328 -7.718 7.242 123 HG3 LYS 15 2HG LYS 15 13.346 -9.142 7.019 124 HD2 LYS 15 1HD LYS 15 15.366 -7.595 6.914 125 HD3 LYS 15 2HD LYS 15 14.306 -6.258 7.322 126 HE2 LYS 15 1HE LYS 15 15.260 -6.964 9.373 127 HE3 LYS 15 2HE LYS 15 13.623 -7.618 9.402 128 HZ1 LYS 15 3HZ LYS 15 16.050 -9.085 8.620 129 HZ2 LYS 15 1HZ LYS 15 15.223 -9.217 10.079 130 HZ3 LYS 15 2HZ LYS 15 14.488 -9.708 8.648 131 H SER 16 H SER 16 10.089 -7.062 3.088 132 HA SER 16 HA SER 16 9.530 -4.426 4.136 133 HB2 SER 16 1HB SER 16 7.458 -6.162 2.753 134 HB3 SER 16 2HB SER 16 7.696 -4.433 2.629 135 HG SER 16 HG SER 16 9.005 -4.716 1.012 136 H VAL 17 H VAL 17 8.249 -7.578 4.923 137 HA VAL 17 HA VAL 17 6.354 -6.699 6.974 138 HB VAL 17 HB VAL 17 7.488 -9.328 5.996 139 HG11 VAL 17 1HG1 VAL 17 6.026 -10.584 7.512 140 HG12 VAL 17 2HG1 VAL 17 7.260 -9.676 8.417 141 HG13 VAL 17 3HG1 VAL 17 5.586 -9.078 8.351 142 HG21 VAL 17 3HG2 VAL 17 5.667 -8.276 4.712 143 HG22 VAL 17 1HG2 VAL 17 5.100 -9.774 5.490 144 HG23 VAL 17 2HG2 VAL 17 4.666 -8.192 6.181 145 H GLN 18 H GLN 18 6.978 -5.931 8.868 146 HA GLN 18 HA GLN 18 9.440 -7.097 10.210 147 HB2 GLN 18 1HB GLN 18 8.406 -4.294 10.589 148 HB3 GLN 18 2HB GLN 18 9.954 -5.007 11.142 149 HG2 GLN 18 1HG GLN 18 10.642 -5.197 8.686 150 HG3 GLN 18 2HG GLN 18 9.196 -4.349 8.238 151 HE21 GLN 18 1HE2 GLN 18 12.383 -4.182 9.285 152 HE22 GLN 18 2HE2 GLN 18 12.499 -2.404 9.359 153 H ASP 19 H ASP 19 9.098 -6.116 12.752 154 HA ASP 19 HA ASP 19 7.160 -7.914 13.899 155 HB2 ASP 19 1HB ASP 19 8.825 -5.715 15.069 156 HB3 ASP 19 2HB ASP 19 7.703 -6.729 16.038 157 H ASP 20 H ASP 20 5.176 -7.420 12.960 158 HA ASP 20 HA ASP 20 3.123 -6.434 12.665 159 HB2 ASP 20 1HB ASP 20 3.605 -5.773 15.502 160 HB3 ASP 20 2HB ASP 20 2.142 -5.227 14.659 161 H HIS 21 H HIS 21 5.552 -4.844 11.932 162 HA HIS 21 HA HIS 21 4.044 -2.332 11.244 163 HB2 HIS 21 1HB HIS 21 6.035 -0.993 11.410 164 HB3 HIS 21 2HB HIS 21 5.332 -1.560 12.967 165 HD2 HIS 21 HD2 HIS 21 8.543 -1.476 11.012 166 HE1 HIS 21 HE1 HIS 21 9.384 -3.440 14.651 167 HE2 HIS 21 HE2 HIS 21 10.410 -2.313 12.573 168 H ILE 22 H ILE 22 4.132 -1.792 9.286 169 HA ILE 22 HA ILE 22 5.733 -3.393 7.324 170 HB ILE 22 HB ILE 22 3.260 -3.658 7.428 171 HG12 ILE 22 1HG1 ILE 22 4.027 -2.710 4.704 172 HG13 ILE 22 2HG1 ILE 22 4.835 -4.095 5.442 173 HG21 ILE 22 1HG2 ILE 22 1.821 -2.017 6.304 174 HG22 ILE 22 2HG2 ILE 22 2.523 -1.339 7.793 175 HG23 ILE 22 3HG2 ILE 22 3.183 -0.875 6.205 176 HD11 ILE 22 3HD1 ILE 22 1.829 -3.781 5.082 177 HD12 ILE 22 1HD1 ILE 22 2.906 -4.807 4.105 178 HD13 ILE 22 2HD1 ILE 22 2.643 -5.177 5.826 179 H VAL 23 H VAL 23 7.226 -2.376 6.211 180 HA VAL 23 HA VAL 23 7.958 0.436 6.883 181 HB VAL 23 HB VAL 23 9.445 -1.485 6.933 182 HG11 VAL 23 1HG1 VAL 23 10.652 -2.075 4.885 183 HG12 VAL 23 2HG1 VAL 23 8.951 -2.590 4.797 184 HG13 VAL 23 3HG1 VAL 23 9.488 -1.139 3.916 185 HG21 VAL 23 3HG2 VAL 23 10.157 0.676 7.281 186 HG22 VAL 23 1HG2 VAL 23 11.330 -0.194 6.262 187 HG23 VAL 23 2HG2 VAL 23 10.232 1.004 5.533 188 H CYS 24 H CYS 24 7.679 2.222 5.852 189 HA CYS 24 HA CYS 24 5.890 2.221 3.553 190 HB2 CYS 24 1HB CYS 24 5.719 3.885 5.376 191 HB3 CYS 24 2HB CYS 24 7.257 4.588 4.839 192 H LEU 25 H LEU 25 6.914 1.378 1.749 193 HA LEU 25 HA LEU 25 9.529 2.167 0.772 194 HB2 LEU 25 1HB LEU 25 7.125 0.984 -0.496 195 HB3 LEU 25 2HB LEU 25 8.466 1.637 -1.504 196 HG LEU 25 HG LEU 25 8.646 -0.827 -1.203 197 HD11 LEU 25 1HD1 LEU 25 10.940 -0.923 -0.426 198 HD12 LEU 25 2HD1 LEU 25 10.707 0.493 -1.479 199 HD13 LEU 25 3HD1 LEU 25 10.797 0.702 0.287 200 HD21 LEU 25 3HD2 LEU 25 7.470 -1.145 0.795 201 HD22 LEU 25 1HD2 LEU 25 9.097 -1.863 0.854 202 HD23 LEU 25 2HD2 LEU 25 8.762 -0.346 1.721 203 H GLU 26 H GLU 26 10.238 3.801 -0.298 204 HA GLU 26 HA GLU 26 10.473 5.892 -1.233 205 HB2 GLU 26 1HB GLU 26 8.491 5.172 -2.591 206 HB3 GLU 26 2HB GLU 26 7.527 6.231 -1.509 207 HG2 GLU 26 1HG GLU 26 8.581 8.170 -2.287 208 HG3 GLU 26 2HG GLU 26 9.935 7.261 -3.003 209 H CYS 27 H CYS 27 9.506 5.326 1.788 210 HA CYS 27 HA CYS 27 9.230 8.241 2.402 211 HB2 CYS 27 1HB CYS 27 6.990 6.834 2.395 212 HB3 CYS 27 2HB CYS 27 7.556 6.385 4.015 213 H GLY 28 H GLY 28 9.475 4.916 3.855 214 HA2 GLY 28 1HA GLY 28 11.697 4.274 4.954 215 HA3 GLY 28 2HA GLY 28 11.818 5.882 5.582 216 H GLY 29 H GLY 29 9.383 6.413 6.637 217 HA2 GLY 29 1HA GLY 29 9.407 5.129 9.243 218 HA3 GLY 29 2HA GLY 29 8.065 6.022 8.614 219 H SER 30 H SER 30 8.093 3.786 10.314 220 HA SER 30 HA SER 30 6.622 1.706 8.612 221 HB2 SER 30 1HB SER 30 8.277 1.292 11.085 222 HB3 SER 30 2HB SER 30 7.183 0.093 10.371 223 HG SER 30 HG SER 30 8.755 1.184 8.390 224 H PHE 31 H PHE 31 4.835 0.816 9.272 225 HA PHE 31 HA PHE 31 3.315 1.701 11.711 226 HB2 PHE 31 1HB PHE 31 1.446 2.527 10.290 227 HB3 PHE 31 2HB PHE 31 2.856 3.615 10.533 228 HD1 PHE 31 HD1 PHE 31 2.569 0.831 7.982 229 HD2 PHE 31 HD2 PHE 31 2.629 5.046 8.768 230 HE1 PHE 31 HE1 PHE 31 3.466 1.233 5.711 231 HE2 PHE 31 HE2 PHE 31 3.472 5.453 6.480 232 HZ PHE 31 HZ PHE 31 3.827 3.557 4.933 233 H LYS 32 H LYS 32 1.069 0.894 11.701 234 HA LYS 32 HA LYS 32 1.041 -1.935 10.952 235 HB2 LYS 32 1HB LYS 32 -0.998 -0.221 12.276 236 HB3 LYS 32 2HB LYS 32 -1.239 -1.941 11.879 237 HG2 LYS 32 1HG LYS 32 0.907 -2.473 13.172 238 HG3 LYS 32 2HG LYS 32 1.022 -0.801 13.637 239 HD2 LYS 32 1HD LYS 32 -1.137 -0.959 14.789 240 HD3 LYS 32 2HD LYS 32 -1.233 -2.676 14.327 241 HE2 LYS 32 1HE LYS 32 0.957 -3.082 15.506 242 HE3 LYS 32 2HE LYS 32 0.996 -1.394 16.002 243 HZ1 LYS 32 3HZ LYS 32 -1.081 -3.348 16.709 244 HZ2 LYS 32 1HZ LYS 32 0.155 -2.791 17.702 245 HZ3 LYS 32 2HZ LYS 32 -1.045 -1.735 17.182 246 H SER 33 H SER 33 -0.471 0.962 9.494 247 HA SER 33 HA SER 33 -1.123 -0.812 7.153 248 HB2 SER 33 1HB SER 33 -3.267 0.325 6.768 249 HB3 SER 33 2HB SER 33 -3.228 -0.659 8.236 250 HG SER 33 HG SER 33 -2.509 2.123 8.403 251 H LEU 34 H LEU 34 0.024 -0.212 5.583 252 HA LEU 34 HA LEU 34 0.810 2.557 4.881 253 HB2 LEU 34 1HB LEU 34 2.245 0.847 4.386 254 HB3 LEU 34 2HB LEU 34 0.978 -0.014 3.431 255 HG LEU 34 HG LEU 34 1.105 1.596 1.701 256 HD11 LEU 34 1HD1 LEU 34 2.699 3.458 1.667 257 HD12 LEU 34 2HD1 LEU 34 1.499 3.664 2.965 258 HD13 LEU 34 3HD1 LEU 34 3.147 3.117 3.355 259 HD21 LEU 34 3HD2 LEU 34 2.800 -0.221 1.759 260 HD22 LEU 34 1HD2 LEU 34 3.500 1.251 1.044 261 HD23 LEU 34 2HD2 LEU 34 3.881 0.810 2.725 262 H LYS 35 H LYS 35 -1.942 0.445 3.952 263 HA LYS 35 HA LYS 35 -2.908 1.535 1.546 264 HB2 LYS 35 1HB LYS 35 -3.844 -0.268 3.073 265 HB3 LYS 35 2HB LYS 35 -4.789 1.077 3.785 266 HG2 LYS 35 1HG LYS 35 -4.735 0.546 0.821 267 HG3 LYS 35 2HG LYS 35 -5.873 -0.296 1.930 268 HD2 LYS 35 1HD LYS 35 -5.847 2.738 1.806 269 HD3 LYS 35 2HD LYS 35 -6.711 1.831 0.602 270 HE2 LYS 35 1HE LYS 35 -8.003 0.695 2.422 271 HE3 LYS 35 2HE LYS 35 -7.174 1.710 3.594 272 HZ1 LYS 35 3HZ LYS 35 -8.805 2.664 1.343 273 HZ2 LYS 35 1HZ LYS 35 -9.256 2.616 2.963 274 HZ3 LYS 35 2HZ LYS 35 -8.013 3.634 2.465 275 H ARG 36 H ARG 36 -4.151 2.791 4.623 276 HA ARG 36 HA ARG 36 -5.237 5.308 3.816 277 HB2 ARG 36 1HB ARG 36 -4.849 5.993 6.168 278 HB3 ARG 36 2HB ARG 36 -5.795 4.547 5.931 279 HG2 ARG 36 1HG ARG 36 -4.241 3.220 6.988 280 HG3 ARG 36 2HG ARG 36 -2.877 4.035 6.281 281 HD2 ARG 36 1HD ARG 36 -3.570 5.991 7.791 282 HD3 ARG 36 2HD ARG 36 -4.454 4.678 8.680 283 HE ARG 36 HE ARG 36 -1.835 3.748 7.938 284 HH11 ARG 36 1HH1 ARG 36 -3.391 5.506 10.612 285 HH12 ARG 36 2HH1 ARG 36 -1.897 5.483 11.588 286 HH21 ARG 36 1HH2 ARG 36 -0.055 3.665 9.212 287 HH22 ARG 36 2HH2 ARG 36 -0.047 4.453 10.813 288 H HIS 37 H HIS 37 -2.134 5.243 5.555 289 HA HIS 37 HA HIS 37 -1.042 7.664 5.037 290 HB2 HIS 37 1HB HIS 37 0.045 6.154 6.431 291 HB3 HIS 37 2HB HIS 37 0.332 5.007 5.085 292 HD1 HIS 37 HD1 HIS 37 1.688 8.066 6.766 293 HD2 HIS 37 HD2 HIS 37 2.385 5.799 3.271 294 HE1 HIS 37 HE1 HIS 37 3.965 8.805 5.836 295 H LEU 38 H LEU 38 -0.762 4.835 2.858 296 HA LEU 38 HA LEU 38 0.727 5.923 0.734 297 HB2 LEU 38 1HB LEU 38 0.069 3.579 1.173 298 HB3 LEU 38 2HB LEU 38 -1.511 3.974 0.406 299 HG LEU 38 HG LEU 38 0.360 2.792 -1.005 300 HD11 LEU 38 1HD1 LEU 38 -0.404 3.932 -3.013 301 HD12 LEU 38 2HD1 LEU 38 -1.771 3.632 -1.911 302 HD13 LEU 38 3HD1 LEU 38 -1.066 5.262 -2.033 303 HD21 LEU 38 3HD2 LEU 38 2.198 4.180 -0.398 304 HD22 LEU 38 1HD2 LEU 38 1.871 4.241 -2.146 305 HD23 LEU 38 2HD2 LEU 38 1.390 5.600 -1.103 306 H THR 39 H THR 39 -2.833 5.528 0.674 307 HA THR 39 HA THR 39 -3.357 7.291 -1.502 308 HB THR 39 HB THR 39 -5.308 6.478 0.688 309 HG1 THR 39 HG1 THR 39 -5.638 4.883 -1.282 310 HG21 THR 39 3HG2 THR 39 -5.730 7.208 -2.209 311 HG22 THR 39 1HG2 THR 39 -6.954 6.646 -1.045 312 HG23 THR 39 2HG2 THR 39 -6.159 8.222 -0.811 313 H THR 40 H THR 40 -3.073 8.040 1.958 314 HA THR 40 HA THR 40 -3.996 10.780 1.865 315 HB THR 40 HB THR 40 -2.066 9.522 3.878 316 HG1 THR 40 HG1 THR 40 -4.862 9.870 4.279 317 HG21 THR 40 3HG2 THR 40 -3.902 11.905 4.115 318 HG22 THR 40 1HG2 THR 40 -2.894 11.183 5.392 319 HG23 THR 40 2HG2 THR 40 -2.128 11.972 3.993 320 H HIS 41 H HIS 41 -0.623 9.538 2.056 321 HA HIS 41 HA HIS 41 0.530 12.282 1.559 322 HB2 HIS 41 1HB HIS 41 1.664 9.730 2.622 323 HB3 HIS 41 2HB HIS 41 2.680 11.013 2.045 324 HD2 HIS 41 HD2 HIS 41 3.415 10.947 4.661 325 HE1 HIS 41 HE1 HIS 41 0.155 13.232 6.064 326 HE2 HIS 41 HE2 HIS 41 2.481 12.288 6.648 327 H HIS 42 H HIS 42 1.851 9.250 0.391 328 HA HIS 42 HA HIS 42 2.669 10.152 -2.166 329 HB2 HIS 42 1HB HIS 42 1.868 7.332 -1.716 330 HB3 HIS 42 2HB HIS 42 3.242 8.032 -2.630 331 HD1 HIS 42 HD1 HIS 42 5.415 8.539 -1.373 332 HD2 HIS 42 HD2 HIS 42 2.290 7.094 1.073 333 HE1 HIS 42 HE1 HIS 42 6.451 7.973 0.909 334 H SER 43 H SER 43 -0.586 9.445 -0.994 335 HA SER 43 HA SER 43 -2.676 9.410 -2.075 336 HB2 SER 43 1HB SER 43 -1.342 10.554 -4.514 337 HB3 SER 43 2HB SER 43 -3.062 10.476 -4.169 338 HG SER 43 HG SER 43 -1.112 12.245 -3.265 339 H MET 44 H MET 44 -3.597 8.651 -4.467 340 HA MET 44 HA MET 44 -4.023 6.928 -5.932 341 HB2 MET 44 1HB MET 44 -1.237 5.912 -5.518 342 HB3 MET 44 2HB MET 44 -2.396 5.485 -6.823 343 HG2 MET 44 1HG MET 44 -1.209 7.044 -8.031 344 HG3 MET 44 2HG MET 44 -2.161 8.216 -7.167 345 HE1 MET 44 3HE MET 44 1.290 6.462 -7.523 346 HE2 MET 44 1HE MET 44 2.171 7.044 -6.092 347 HE3 MET 44 2HE MET 44 0.819 5.903 -5.901 348 H THR 45 H THR 45 -4.243 4.594 -6.245 349 HA THR 45 HA THR 45 -5.107 3.177 -3.807 350 HB THR 45 HB THR 45 -5.657 1.291 -5.270 351 HG1 THR 45 HG1 THR 45 -4.815 2.660 -7.576 352 HG21 THR 45 3HG2 THR 45 -6.500 3.938 -6.466 353 HG22 THR 45 1HG2 THR 45 -7.295 2.360 -6.681 354 HG23 THR 45 2HG2 THR 45 -7.272 3.134 -5.079 355 HA PRO 46 HA PRO 46 -1.302 1.076 -2.602 356 HB2 PRO 46 1HB PRO 46 -2.253 -1.252 -1.851 357 HB3 PRO 46 2HB PRO 46 -2.341 0.291 -0.872 358 HG2 PRO 46 1HG PRO 46 -4.552 -1.037 -2.577 359 HG3 PRO 46 2HG PRO 46 -4.722 -0.397 -0.945 360 HD2 PRO 46 1HD PRO 46 -5.405 1.171 -3.057 361 HD3 PRO 46 2HD PRO 46 -4.561 1.894 -1.687 362 H GLU 47 H GLU 47 -3.598 -0.836 -4.557 363 HA GLU 47 HA GLU 47 -1.643 -2.578 -5.733 364 HB2 GLU 47 1HB GLU 47 -4.478 -2.074 -5.967 365 HB3 GLU 47 2HB GLU 47 -3.787 -2.295 -7.556 366 HG2 GLU 47 1HG GLU 47 -2.923 -4.240 -5.438 367 HG3 GLU 47 2HG GLU 47 -4.561 -4.363 -6.046 368 H GLU 48 H GLU 48 -2.902 0.595 -6.980 369 HA GLU 48 HA GLU 48 -1.285 0.508 -9.435 370 HB2 GLU 48 1HB GLU 48 -3.347 1.986 -8.955 371 HB3 GLU 48 2HB GLU 48 -2.233 3.072 -8.192 372 HG2 GLU 48 1HG GLU 48 -1.462 2.111 -10.924 373 HG3 GLU 48 2HG GLU 48 -2.807 3.211 -10.794 374 H TYR 49 H TYR 49 -0.741 1.877 -6.179 375 HA TYR 49 HA TYR 49 1.870 2.947 -6.562 376 HB2 TYR 49 1HB TYR 49 0.842 3.550 -4.636 377 HB3 TYR 49 2HB TYR 49 0.345 1.872 -4.241 378 HD1 TYR 49 HD1 TYR 49 3.534 3.904 -4.606 379 HD2 TYR 49 HD2 TYR 49 1.394 0.775 -2.594 380 HE1 TYR 49 HE1 TYR 49 5.345 3.756 -2.915 381 HE2 TYR 49 HE2 TYR 49 3.215 0.600 -0.927 382 HH TYR 49 HH TYR 49 5.384 3.317 -0.532 383 H ARG 50 H ARG 50 0.951 -0.464 -5.769 384 HA ARG 50 HA ARG 50 3.614 -1.512 -5.363 385 HB2 ARG 50 1HB ARG 50 2.927 -3.519 -5.447 386 HB3 ARG 50 2HB ARG 50 1.436 -2.615 -4.969 387 HG2 ARG 50 1HG ARG 50 0.653 -4.335 -6.418 388 HG3 ARG 50 2HG ARG 50 0.716 -2.953 -7.456 389 HD2 ARG 50 1HD ARG 50 2.791 -3.697 -8.445 390 HD3 ARG 50 2HD ARG 50 2.906 -5.028 -7.287 391 HE ARG 50 HE ARG 50 0.934 -6.039 -8.265 392 HH11 ARG 50 1HH1 ARG 50 2.061 -3.216 -10.161 393 HH12 ARG 50 2HH1 ARG 50 1.318 -3.845 -11.656 394 HH21 ARG 50 1HH2 ARG 50 0.011 -6.730 -10.176 395 HH22 ARG 50 2HH2 ARG 50 0.197 -5.763 -11.663 396 H GLU 51 H GLU 51 1.883 -0.764 -8.376 397 HA GLU 51 HA GLU 51 3.792 -1.903 -10.285 398 HB2 GLU 51 1HB GLU 51 1.369 -1.235 -10.687 399 HB3 GLU 51 2HB GLU 51 1.945 0.406 -10.814 400 HG2 GLU 51 1HG GLU 51 3.325 -0.124 -12.722 401 HG3 GLU 51 2HG GLU 51 3.142 -1.844 -12.477 402 H LYS 52 H LYS 52 3.614 1.342 -8.764 403 HA LYS 52 HA LYS 52 5.768 2.644 -10.152 404 HB2 LYS 52 1HB LYS 52 4.458 3.961 -8.858 405 HB3 LYS 52 2HB LYS 52 4.622 2.893 -7.418 406 HG2 LYS 52 1HG LYS 52 5.762 5.041 -7.149 407 HG3 LYS 52 2HG LYS 52 6.889 3.649 -7.088 408 HD2 LYS 52 1HD LYS 52 7.369 4.179 -9.573 409 HD3 LYS 52 2HD LYS 52 6.570 5.727 -9.274 410 HE2 LYS 52 1HE LYS 52 8.185 6.305 -7.547 411 HE3 LYS 52 2HE LYS 52 8.892 4.688 -7.589 412 HZ1 LYS 52 3HZ LYS 52 8.887 6.626 -9.805 413 HZ2 LYS 52 1HZ LYS 52 10.187 6.250 -8.807 414 HZ3 LYS 52 2HZ LYS 52 9.560 5.085 -9.845 415 H TRP 53 H TRP 53 5.909 0.686 -7.165 416 HA TRP 53 HA TRP 53 8.877 0.533 -7.358 417 HB2 TRP 53 1HB TRP 53 6.797 -0.261 -5.255 418 HB3 TRP 53 2HB TRP 53 8.429 -0.817 -5.114 419 HD1 TRP 53 HD1 TRP 53 6.405 2.428 -5.092 420 HE1 TRP 53 HE1 TRP 53 7.867 4.311 -4.153 421 HE3 TRP 53 HE3 TRP 53 10.634 -0.236 -4.499 422 HZ2 TRP 53 HZ2 TRP 53 10.538 4.565 -3.254 423 HZ3 TRP 53 HZ3 TRP 53 12.655 0.840 -3.530 424 HH2 TRP 53 HH2 TRP 53 12.603 3.244 -2.926 425 H ASP 54 H ASP 54 6.814 -0.961 -9.187 426 HA ASP 54 HA ASP 54 6.150 -3.123 -9.782 427 HB2 ASP 54 1HB ASP 54 8.133 -4.374 -10.706 428 HB3 ASP 54 2HB ASP 54 7.454 -2.870 -11.414 429 H LEU 55 H LEU 55 5.905 -3.187 -7.177 430 HA LEU 55 HA LEU 55 7.481 -5.023 -5.645 431 HB2 LEU 55 1HB LEU 55 5.354 -3.192 -5.314 432 HB3 LEU 55 2HB LEU 55 4.917 -4.745 -4.518 433 HG LEU 55 HG LEU 55 6.069 -2.959 -3.062 434 HD11 LEU 55 1HD1 LEU 55 7.411 -4.622 -1.887 435 HD12 LEU 55 2HD1 LEU 55 5.859 -5.323 -2.404 436 HD13 LEU 55 3HD1 LEU 55 7.348 -5.698 -3.303 437 HD21 LEU 55 3HD2 LEU 55 7.789 -2.211 -4.587 438 HD22 LEU 55 1HD2 LEU 55 8.464 -2.865 -3.076 439 HD23 LEU 55 2HD2 LEU 55 8.521 -3.834 -4.567 440 HA PRO 56 HA PRO 56 6.028 -8.893 -7.433 441 HB2 PRO 56 1HB PRO 56 7.255 -10.562 -5.697 442 HB3 PRO 56 2HB PRO 56 8.126 -9.742 -6.991 443 HG2 PRO 56 1HG PRO 56 7.904 -8.931 -4.052 444 HG3 PRO 56 2HG PRO 56 9.352 -9.006 -5.052 445 HD2 PRO 56 1HD PRO 56 7.974 -6.595 -4.701 446 HD3 PRO 56 2HD PRO 56 8.687 -6.997 -6.338 447 H VAL 57 H VAL 57 4.593 -10.327 -7.168 448 HA VAL 57 HA VAL 57 2.467 -11.018 -6.615 449 HB VAL 57 HB VAL 57 3.922 -12.410 -5.316 450 HG11 VAL 57 1HG1 VAL 57 3.752 -12.393 -2.872 451 HG12 VAL 57 2HG1 VAL 57 4.601 -10.945 -3.466 452 HG13 VAL 57 3HG1 VAL 57 2.908 -10.826 -2.931 453 HG21 VAL 57 3HG2 VAL 57 1.754 -13.036 -5.881 454 HG22 VAL 57 1HG2 VAL 57 2.117 -13.540 -4.213 455 HG23 VAL 57 2HG2 VAL 57 1.070 -12.130 -4.510 456 H ASP 58 H ASP 58 2.865 -8.112 -6.492 457 HA ASP 58 HA ASP 58 1.882 -6.148 -5.800 458 HB2 ASP 58 1HB ASP 58 -0.502 -6.086 -5.669 459 HB3 ASP 58 2HB ASP 58 0.147 -6.979 -7.079 460 H TYR 59 H TYR 59 3.185 -7.576 -3.728 461 HA TYR 59 HA TYR 59 2.620 -8.160 -1.325 462 HB2 TYR 59 1HB TYR 59 4.777 -7.457 -1.927 463 HB3 TYR 59 2HB TYR 59 4.265 -5.741 -2.008 464 HD1 TYR 59 HD1 TYR 59 4.979 -8.587 0.260 465 HD2 TYR 59 HD2 TYR 59 4.172 -4.381 -0.063 466 HE1 TYR 59 HE1 TYR 59 5.353 -8.331 2.699 467 HE2 TYR 59 HE2 TYR 59 4.588 -4.115 2.367 468 HH TYR 59 HH TYR 59 5.455 -5.045 4.172 469 HA PRO 60 HA PRO 60 -0.809 -5.958 0.486 470 HB2 PRO 60 1HB PRO 60 -0.549 -6.828 3.032 471 HB3 PRO 60 2HB PRO 60 -1.221 -7.833 1.750 472 HG2 PRO 60 1HG PRO 60 1.633 -7.821 2.844 473 HG3 PRO 60 2HG PRO 60 0.598 -9.209 2.520 474 HD2 PRO 60 1HD PRO 60 2.474 -8.351 0.627 475 HD3 PRO 60 2HD PRO 60 0.831 -8.931 0.065 476 H MET 61 H MET 61 -1.204 -4.121 1.285 477 HA MET 61 HA MET 61 1.065 -2.496 2.343 478 HB2 MET 61 1HB MET 61 -1.624 -1.767 1.210 479 HB3 MET 61 2HB MET 61 -0.721 -0.616 2.172 480 HG2 MET 61 1HG MET 61 -0.156 -0.222 -0.060 481 HG3 MET 61 2HG MET 61 1.256 -1.055 0.668 482 HE1 MET 61 3HE MET 61 2.534 -2.093 -1.169 483 HE2 MET 61 1HE MET 61 1.821 -2.648 -2.702 484 HE3 MET 61 2HE MET 61 1.637 -0.952 -2.197 485 H VAL 62 H VAL 62 -1.266 -4.463 3.697 486 HA VAL 62 HA VAL 62 -1.538 -2.711 6.127 487 HB VAL 62 HB VAL 62 -3.459 -4.959 5.330 488 HG11 VAL 62 1HG1 VAL 62 -4.950 -3.870 6.935 489 HG12 VAL 62 2HG1 VAL 62 -3.435 -4.365 7.727 490 HG13 VAL 62 3HG1 VAL 62 -3.699 -2.657 7.300 491 HG21 VAL 62 3HG2 VAL 62 -3.580 -3.261 3.602 492 HG22 VAL 62 1HG2 VAL 62 -5.039 -3.288 4.621 493 HG23 VAL 62 2HG2 VAL 62 -3.822 -2.007 4.841 494 H ALA 63 H ALA 63 -0.981 -3.582 8.038 495 HA ALA 63 HA ALA 63 0.912 -5.001 8.932 496 HB1 ALA 63 3HB ALA 63 -1.898 -5.602 9.871 497 HB2 ALA 63 1HB ALA 63 -0.410 -5.927 10.792 498 HB3 ALA 63 2HB ALA 63 -0.854 -4.253 10.380 499 HA PRO 64 HA PRO 64 1.965 -8.685 7.096 500 HB2 PRO 64 1HB PRO 64 2.889 -10.187 9.157 501 HB3 PRO 64 2HB PRO 64 3.789 -8.894 8.233 502 HG2 PRO 64 1HG PRO 64 2.353 -8.672 10.955 503 HG3 PRO 64 2HG PRO 64 3.936 -8.024 10.535 504 HD2 PRO 64 1HD PRO 64 1.784 -6.385 10.404 505 HD3 PRO 64 2HD PRO 64 2.995 -6.297 9.125 506 H ALA 65 H ALA 65 0.017 -9.300 10.055 507 HA ALA 65 HA ALA 65 -1.283 -11.504 8.460 508 HB1 ALA 65 3HB ALA 65 -0.666 -11.495 11.420 509 HB2 ALA 65 1HB ALA 65 -1.613 -12.737 10.568 510 HB3 ALA 65 2HB ALA 65 0.102 -12.490 10.159 511 H TYR 66 H TYR 66 -2.145 -8.671 8.697 512 HA TYR 66 HA TYR 66 -4.083 -8.182 10.696 513 HB2 TYR 66 1HB TYR 66 -3.047 -6.534 8.994 514 HB3 TYR 66 2HB TYR 66 -4.275 -7.054 7.870 515 HD1 TYR 66 HD1 TYR 66 -3.686 -5.484 11.154 516 HD2 TYR 66 HD2 TYR 66 -6.545 -6.303 8.060 517 HE1 TYR 66 HE1 TYR 66 -5.175 -3.732 12.072 518 HE2 TYR 66 HE2 TYR 66 -8.040 -4.549 8.977 519 HH TYR 66 HH TYR 66 -6.891 -2.126 11.006 520 H ALA 67 H ALA 67 -4.615 -9.527 7.473 521 HA ALA 67 HA ALA 67 -6.846 -11.156 8.457 522 HB1 ALA 67 3HB ALA 67 -7.297 -9.176 6.183 523 HB2 ALA 67 1HB ALA 67 -8.423 -10.468 6.659 524 HB3 ALA 67 2HB ALA 67 -8.072 -9.134 7.784 525 H GLU 68 H GLU 68 -5.429 -12.739 8.080 526 HA GLU 68 HA GLU 68 -4.056 -14.269 7.034 527 HB2 GLU 68 1HB GLU 68 -6.575 -14.258 5.644 528 HB3 GLU 68 2HB GLU 68 -5.260 -14.940 4.686 529 HG2 GLU 68 1HG GLU 68 -4.622 -16.304 6.786 530 HG3 GLU 68 2HG GLU 68 -6.158 -15.793 7.468 531 H ALA 69 H ALA 69 -2.876 -11.841 6.663 532 HA ALA 69 HA ALA 69 -1.453 -10.557 5.384 533 HB1 ALA 69 3HB ALA 69 -0.705 -13.288 4.379 534 HB2 ALA 69 1HB ALA 69 0.274 -11.812 4.202 535 HB3 ALA 69 2HB ALA 69 -0.094 -12.448 5.823 536 H ARG 70 H ARG 70 -3.992 -10.392 4.225 537 HA ARG 70 HA ARG 70 -3.369 -10.415 1.271 538 HB2 ARG 70 1HB ARG 70 -4.821 -12.245 2.512 539 HB3 ARG 70 2HB ARG 70 -6.103 -11.000 2.352 540 HG2 ARG 70 1HG ARG 70 -6.338 -11.323 0.175 541 HG3 ARG 70 2HG ARG 70 -4.578 -11.632 -0.078 542 HD2 ARG 70 1HD ARG 70 -4.799 -13.960 0.504 543 HD3 ARG 70 2HD ARG 70 -6.163 -13.676 1.546 544 HE ARG 70 HE ARG 70 -7.575 -14.082 -0.150 545 HH11 ARG 70 1HH1 ARG 70 -4.354 -13.671 -1.681 546 HH12 ARG 70 2HH1 ARG 70 -5.015 -14.074 -3.289 547 HH21 ARG 70 1HH2 ARG 70 -8.273 -14.662 -2.138 548 HH22 ARG 70 2HH2 ARG 70 -7.168 -14.625 -3.538 549 H SER 71 H SER 71 -2.930 -8.074 2.583 550 HA SER 71 HA SER 71 -3.628 -5.894 3.061 551 HB2 SER 71 1HB SER 71 -4.480 -6.285 0.195 552 HB3 SER 71 2HB SER 71 -4.704 -4.751 0.996 553 HG SER 71 HG SER 71 -2.297 -5.127 1.650 554 H ARG 72 H ARG 72 -5.134 -6.853 4.725 555 HA ARG 72 HA ARG 72 -7.262 -7.036 5.817 556 HB2 ARG 72 1HB ARG 72 -6.838 -4.569 5.690 557 HB3 ARG 72 2HB ARG 72 -7.911 -4.512 4.313 558 HG2 ARG 72 1HG ARG 72 -9.553 -5.840 5.957 559 HG3 ARG 72 2HG ARG 72 -8.551 -5.074 7.181 560 HD2 ARG 72 1HD ARG 72 -9.220 -2.968 6.631 561 HD3 ARG 72 2HD ARG 72 -9.518 -3.386 4.917 562 HE ARG 72 HE ARG 72 -11.678 -4.081 5.449 563 HH11 ARG 72 1HH1 ARG 72 -9.958 -3.565 8.548 564 HH12 ARG 72 2HH1 ARG 72 -11.434 -3.894 9.494 565 HH21 ARG 72 1HH2 ARG 72 -13.473 -4.471 6.701 566 HH22 ARG 72 2HH2 ARG 72 -13.364 -4.389 8.480 567 H LEU 73 H LEU 73 -7.015 -8.721 3.583 568 HA LEU 73 HA LEU 73 -8.273 -10.091 2.111 569 HB2 LEU 73 1HB LEU 73 -9.616 -9.885 4.432 570 HB3 LEU 73 2HB LEU 73 -10.855 -9.465 3.207 571 HG LEU 73 HG LEU 73 -9.100 -11.914 2.966 572 HD11 LEU 73 1HD1 LEU 73 -11.010 -13.172 3.954 573 HD12 LEU 73 2HD1 LEU 73 -10.334 -12.008 5.119 574 HD13 LEU 73 3HD1 LEU 73 -11.852 -11.635 4.267 575 HD21 LEU 73 3HD2 LEU 73 -10.253 -11.215 0.917 576 HD22 LEU 73 1HD2 LEU 73 -10.921 -12.741 1.544 577 HD23 LEU 73 2HD2 LEU 73 -11.809 -11.217 1.782 578 H ALA 74 H ALA 74 -7.554 -7.695 1.030 579 HA ALA 74 HA ALA 74 -9.674 -7.178 -1.031 580 HB1 ALA 74 3HB ALA 74 -8.663 -4.965 0.753 581 HB2 ALA 74 1HB ALA 74 -9.666 -4.786 -0.706 582 HB3 ALA 74 2HB ALA 74 -10.313 -5.628 0.722 583 H LYS 75 H LYS 75 -8.508 -7.835 -2.647 584 HA LYS 75 HA LYS 75 -5.957 -6.307 -3.300 585 HB2 LYS 75 1HB LYS 75 -5.602 -8.707 -2.371 586 HB3 LYS 75 2HB LYS 75 -6.310 -9.260 -3.882 587 HG2 LYS 75 1HG LYS 75 -4.418 -7.356 -4.720 588 HG3 LYS 75 2HG LYS 75 -3.630 -8.171 -3.387 589 HD2 LYS 75 1HD LYS 75 -3.053 -9.644 -5.036 590 HD3 LYS 75 2HD LYS 75 -4.625 -10.346 -4.688 591 HE2 LYS 75 1HE LYS 75 -5.648 -9.168 -6.524 592 HE3 LYS 75 2HE LYS 75 -4.187 -8.200 -6.788 593 HZ1 LYS 75 3HZ LYS 75 -4.388 -11.132 -7.048 594 HZ2 LYS 75 1HZ LYS 75 -4.330 -10.025 -8.314 595 HZ3 LYS 75 2HZ LYS 75 -3.001 -10.213 -7.300 596 H GLU 76 H GLU 76 -6.885 -4.956 -4.714 597 HA GLU 76 HA GLU 76 -7.051 -5.946 -7.494 598 HB2 GLU 76 1HB GLU 76 -9.234 -5.240 -8.061 599 HB3 GLU 76 2HB GLU 76 -9.252 -6.595 -6.885 600 HG2 GLU 76 1HG GLU 76 -9.543 -4.565 -5.152 601 HG3 GLU 76 2HG GLU 76 -10.226 -3.776 -6.573 602 H MET 77 H MET 77 -6.634 -4.473 -8.950 603 HA MET 77 HA MET 77 -5.919 -1.683 -8.109 604 HB2 MET 77 1HB MET 77 -5.087 -1.359 -10.225 605 HB3 MET 77 2HB MET 77 -4.428 -2.843 -9.451 606 HG2 MET 77 1HG MET 77 -4.722 -3.589 -11.660 607 HG3 MET 77 2HG MET 77 -6.264 -4.035 -11.004 608 HE1 MET 77 3HE MET 77 -7.119 -4.265 -13.421 609 HE2 MET 77 1HE MET 77 -7.027 -2.973 -14.641 610 HE3 MET 77 2HE MET 77 -5.536 -3.734 -14.037 611 H GLY 78 H GLY 78 -6.777 0.124 -8.548 612 HA2 GLY 78 1HA GLY 78 -8.437 1.732 -9.193 613 HA3 GLY 78 2HA GLY 78 -9.239 0.531 -10.175 614 H LEU 79 H LEU 79 -11.130 1.444 -9.452 615 HA LEU 79 HA LEU 79 -12.054 1.070 -6.623 616 HB2 LEU 79 1HB LEU 79 -13.222 2.284 -9.129 617 HB3 LEU 79 2HB LEU 79 -14.279 1.806 -7.832 618 HG LEU 79 HG LEU 79 -11.874 3.544 -7.319 619 HD11 LEU 79 1HD1 LEU 79 -13.427 5.458 -7.552 620 HD12 LEU 79 2HD1 LEU 79 -13.262 4.581 -9.091 621 HD13 LEU 79 3HD1 LEU 79 -14.714 4.351 -8.088 622 HD21 LEU 79 3HD2 LEU 79 -12.971 2.498 -5.366 623 HD22 LEU 79 1HD2 LEU 79 -13.247 4.255 -5.397 624 HD23 LEU 79 2HD2 LEU 79 -14.541 3.142 -5.902 625 H GLY 80 H GLY 80 -13.576 -0.203 -5.873 626 HA2 GLY 80 1HA GLY 80 -13.798 -2.972 -6.740 627 HA3 GLY 80 2HA GLY 80 -14.873 -2.212 -5.620 628 H GLN 81 H GLN 81 -16.721 -1.112 -6.350 629 HA GLN 81 HA GLN 81 -17.642 -1.795 -9.136 630 HB2 GLN 81 1HB GLN 81 -18.102 -3.576 -7.209 631 HB3 GLN 81 2HB GLN 81 -19.446 -2.446 -6.845 632 HG2 GLN 81 1HG GLN 81 -19.010 -3.529 -9.613 633 HG3 GLN 81 2HG GLN 81 -19.894 -4.467 -8.362 634 HE21 GLN 81 1HE2 GLN 81 -21.149 -4.002 -10.669 635 HE22 GLN 81 2HE2 GLN 81 -22.436 -2.788 -10.435 636 H ARG 82 H ARG 82 -19.076 -0.445 -9.950 637 HA ARG 82 HA ARG 82 -20.337 1.766 -8.273 638 HB2 ARG 82 1HB ARG 82 -19.740 3.403 -10.027 639 HB3 ARG 82 2HB ARG 82 -18.374 2.831 -9.113 640 HG2 ARG 82 1HG ARG 82 -17.695 1.349 -10.984 641 HG3 ARG 82 2HG ARG 82 -19.116 1.758 -11.879 642 HD2 ARG 82 1HD ARG 82 -18.454 4.037 -12.009 643 HD3 ARG 82 2HD ARG 82 -16.987 3.654 -11.016 644 HE ARG 82 HE ARG 82 -17.640 2.490 -13.746 645 HH11 ARG 82 1HH1 ARG 82 -15.178 3.241 -11.263 646 HH12 ARG 82 2HH1 ARG 82 -13.849 2.653 -12.298 647 HH21 ARG 82 1HH2 ARG 82 -15.928 1.695 -14.955 648 HH22 ARG 82 2HH2 ARG 82 -14.261 1.803 -14.326 649 H ARG 83 H ARG 83 -22.340 0.787 -8.337 650 HA ARG 83 HA ARG 83 -23.652 0.991 -11.083 651 HB2 ARG 83 1HB ARG 83 -23.531 -1.317 -9.789 652 HB3 ARG 83 2HB ARG 83 -24.910 -0.634 -8.922 653 HG2 ARG 83 1HG ARG 83 -25.897 -0.091 -11.275 654 HG3 ARG 83 2HG ARG 83 -24.664 -1.163 -11.913 655 HD2 ARG 83 1HD ARG 83 -26.339 -2.663 -11.631 656 HD3 ARG 83 2HD ARG 83 -25.609 -2.784 -10.011 657 HE ARG 83 HE ARG 83 -27.595 -0.654 -10.185 658 HH11 ARG 83 1HH1 ARG 83 -27.024 -3.957 -9.034 659 HH12 ARG 83 2HH1 ARG 83 -28.702 -4.140 -8.455 660 HH21 ARG 83 1HH2 ARG 83 -29.633 -0.875 -9.301 661 HH22 ARG 83 2HH2 ARG 83 -30.140 -2.434 -8.596 662 H LYS 84 H LYS 84 -24.129 3.085 -10.982 663 HA LYS 84 HA LYS 84 -25.316 5.009 -10.527 664 HB2 LYS 84 1HB LYS 84 -27.142 3.654 -11.326 665 HB3 LYS 84 2HB LYS 84 -27.494 3.093 -9.706 666 HG2 LYS 84 1HG LYS 84 -27.924 5.515 -9.025 667 HG3 LYS 84 2HG LYS 84 -27.710 5.981 -10.684 668 HD2 LYS 84 1HD LYS 84 -29.606 4.857 -11.396 669 HD3 LYS 84 2HD LYS 84 -29.685 3.863 -9.912 670 HE2 LYS 84 1HE LYS 84 -30.215 5.885 -8.556 671 HE3 LYS 84 2HE LYS 84 -29.990 6.930 -9.937 672 HZ1 LYS 84 3HZ LYS 84 -32.059 4.879 -9.659 673 HZ2 LYS 84 1HZ LYS 84 -32.243 6.542 -9.494 674 HZ3 LYS 84 2HZ LYS 84 -31.841 5.885 -10.988 675 H ALA 85 H ALA 85 -24.200 6.141 -9.093 676 HA ALA 85 HA ALA 85 -24.582 5.645 -6.132 677 HB1 ALA 85 3HB ALA 85 -22.576 7.324 -7.610 678 HB2 ALA 85 1HB ALA 85 -22.665 7.076 -5.850 679 HB3 ALA 85 2HB ALA 85 -22.321 5.700 -6.925 680 H ASN 86 H ASN 86 -26.772 6.325 -6.250 681 HA ASN 86 HA ASN 86 -27.148 9.368 -6.199 682 HB2 ASN 86 1HB ASN 86 -28.934 7.208 -7.200 683 HB3 ASN 86 2HB ASN 86 -29.581 8.717 -6.558 684 HD21 ASN 86 1HD2 ASN 86 -29.309 10.635 -7.641 685 HD22 ASN 86 2HD2 ASN 86 -28.594 10.730 -9.274 686 H ARG 87 H ARG 87 -26.736 9.915 -4.227 687 HA ARG 87 HA ARG 87 -27.782 8.555 -1.883 688 HB2 ARG 87 1HB ARG 87 -27.093 10.393 -0.600 689 HB3 ARG 87 2HB ARG 87 -25.831 9.796 -1.730 690 HG2 ARG 87 1HG ARG 87 -26.148 11.738 -3.153 691 HG3 ARG 87 2HG ARG 87 -27.486 12.308 -2.139 692 HD2 ARG 87 1HD ARG 87 -25.681 12.116 -0.204 693 HD3 ARG 87 2HD ARG 87 -24.536 12.257 -1.562 694 HE ARG 87 HE ARG 87 -26.515 14.248 -1.943 695 HH11 ARG 87 1HH1 ARG 87 -23.817 13.615 0.333 696 HH12 ARG 87 2HH1 ARG 87 -23.711 15.337 0.787 697 HH21 ARG 87 1HH2 ARG 87 -26.319 16.383 -1.301 698 HH22 ARG 87 2HH2 ARG 87 -25.079 16.851 -0.108 Start of MODEL 3 1 H1 ALA 1 1H ALA 1 7.816 12.290 4.084 2 HA ALA 1 HA ALA 1 5.132 11.467 3.683 3 HB1 ALA 1 3HB ALA 1 5.352 14.328 4.585 4 HB2 ALA 1 1HB ALA 1 3.921 13.580 3.837 5 HB3 ALA 1 2HB ALA 1 4.517 12.988 5.406 6 H VAL 2 H VAL 2 6.910 14.480 2.951 7 HA VAL 2 HA VAL 2 6.123 14.715 0.134 8 HB VAL 2 HB VAL 2 6.592 16.566 1.552 9 HG11 VAL 2 1HG1 VAL 2 8.902 17.295 1.953 10 HG12 VAL 2 2HG1 VAL 2 8.545 15.787 2.830 11 HG13 VAL 2 3HG1 VAL 2 9.509 15.741 1.335 12 HG21 VAL 2 3HG2 VAL 2 6.489 16.832 -0.777 13 HG22 VAL 2 1HG2 VAL 2 7.764 17.868 -0.094 14 HG23 VAL 2 2HG2 VAL 2 8.200 16.374 -0.956 15 H ASN 3 H ASN 3 6.709 13.892 -1.568 16 HA ASN 3 HA ASN 3 9.432 12.561 -1.894 17 HB2 ASN 3 1HB ASN 3 8.358 10.859 -3.228 18 HB3 ASN 3 2HB ASN 3 7.862 10.834 -1.505 19 HD21 ASN 3 1HD2 ASN 3 6.681 9.925 -4.230 20 HD22 ASN 3 2HD2 ASN 3 5.002 10.518 -4.150 21 H VAL 4 H VAL 4 10.260 14.390 -2.837 22 HA VAL 4 HA VAL 4 9.420 14.587 -5.729 23 HB VAL 4 HB VAL 4 8.414 16.394 -4.799 24 HG11 VAL 4 1HG1 VAL 4 9.626 18.332 -3.911 25 HG12 VAL 4 2HG1 VAL 4 9.816 16.917 -2.849 26 HG13 VAL 4 3HG1 VAL 4 11.144 17.404 -3.929 27 HG21 VAL 4 3HG2 VAL 4 9.059 16.506 -7.039 28 HG22 VAL 4 1HG2 VAL 4 9.235 18.101 -6.270 29 HG23 VAL 4 2HG2 VAL 4 10.674 17.109 -6.604 30 H GLU 5 H GLU 5 12.108 15.696 -3.600 31 HA GLU 5 HA GLU 5 14.156 14.656 -5.620 32 HB2 GLU 5 1HB GLU 5 15.336 16.694 -5.540 33 HB3 GLU 5 2HB GLU 5 13.703 16.864 -6.258 34 HG2 GLU 5 1HG GLU 5 12.983 17.742 -3.918 35 HG3 GLU 5 2HG GLU 5 14.698 17.906 -3.577 36 H LYS 6 H LYS 6 13.731 13.078 -3.659 37 HA LYS 6 HA LYS 6 16.144 12.967 -1.992 38 HB2 LYS 6 1HB LYS 6 14.102 14.619 -0.866 39 HB3 LYS 6 2HB LYS 6 14.362 13.161 0.103 40 HG2 LYS 6 1HG LYS 6 16.789 13.608 0.196 41 HG3 LYS 6 2HG LYS 6 16.619 14.976 -0.893 42 HD2 LYS 6 1HD LYS 6 15.228 16.162 0.805 43 HD3 LYS 6 2HD LYS 6 15.365 14.794 1.887 44 HE2 LYS 6 1HE LYS 6 17.012 16.475 2.529 45 HE3 LYS 6 2HE LYS 6 17.886 15.111 1.888 46 HZ1 LYS 6 3HZ LYS 6 17.235 17.563 0.433 47 HZ2 LYS 6 1HZ LYS 6 18.719 17.130 1.094 48 HZ3 LYS 6 2HZ LYS 6 18.079 16.247 -0.185 49 H GLN 7 H GLN 7 12.692 12.167 -1.624 50 HA GLN 7 HA GLN 7 11.595 10.156 -0.966 51 HB2 GLN 7 1HB GLN 7 11.799 8.322 -2.232 52 HB3 GLN 7 2HB GLN 7 11.957 9.774 -3.278 53 HG2 GLN 7 1HG GLN 7 14.171 9.343 -3.758 54 HG3 GLN 7 2HG GLN 7 14.384 8.288 -2.325 55 HE21 GLN 7 1HE2 GLN 7 15.340 6.674 -3.549 56 HE22 GLN 7 2HE2 GLN 7 14.357 5.600 -4.580 57 H LYS 8 H LYS 8 11.870 7.825 -0.192 58 HA LYS 8 HA LYS 8 14.590 7.231 1.000 59 HB2 LYS 8 1HB LYS 8 12.975 8.480 2.674 60 HB3 LYS 8 2HB LYS 8 12.355 6.852 2.885 61 HG2 LYS 8 1HG LYS 8 14.449 6.011 3.571 62 HG3 LYS 8 2HG LYS 8 15.319 7.433 2.955 63 HD2 LYS 8 1HD LYS 8 14.016 8.842 4.670 64 HD3 LYS 8 2HD LYS 8 13.408 7.349 5.354 65 HE2 LYS 8 1HE LYS 8 16.391 7.921 5.089 66 HE3 LYS 8 2HE LYS 8 15.455 8.316 6.509 67 HZ1 LYS 8 3HZ LYS 8 15.782 5.644 5.360 68 HZ2 LYS 8 1HZ LYS 8 16.544 6.269 6.723 69 HZ3 LYS 8 2HZ LYS 8 14.880 6.024 6.728 70 HA PRO 9 HA PRO 9 13.050 3.362 -0.865 71 HB2 PRO 9 1HB PRO 9 15.515 2.350 -1.397 72 HB3 PRO 9 2HB PRO 9 14.709 3.485 -2.480 73 HG2 PRO 9 1HG PRO 9 16.841 4.062 -0.372 74 HG3 PRO 9 2HG PRO 9 16.754 4.661 -2.027 75 HD2 PRO 9 1HD PRO 9 15.800 6.172 0.139 76 HD3 PRO 9 2HD PRO 9 14.963 6.238 -1.481 77 H ALA 10 H ALA 10 12.200 2.313 0.721 78 HA ALA 10 HA ALA 10 13.530 1.598 3.273 79 HB1 ALA 10 3HB ALA 10 10.906 0.804 2.046 80 HB2 ALA 10 1HB ALA 10 11.432 0.515 3.721 81 HB3 ALA 10 2HB ALA 10 11.207 2.180 3.135 82 H VAL 11 H VAL 11 15.272 0.795 1.611 83 HA VAL 11 HA VAL 11 16.616 -0.895 0.809 84 HB VAL 11 HB VAL 11 15.301 -2.874 2.644 85 HG11 VAL 11 1HG1 VAL 11 17.574 -3.694 2.813 86 HG12 VAL 11 2HG1 VAL 11 17.045 -3.699 1.113 87 HG13 VAL 11 3HG1 VAL 11 18.145 -2.429 1.700 88 HG21 VAL 11 3HG2 VAL 11 15.630 -0.854 3.965 89 HG22 VAL 11 1HG2 VAL 11 16.778 -2.148 4.385 90 HG23 VAL 11 2HG2 VAL 11 17.316 -0.766 3.401 91 H SER 12 H SER 12 16.011 -3.667 0.279 92 HA SER 12 HA SER 12 14.041 -3.445 -1.978 93 HB2 SER 12 1HB SER 12 16.342 -4.235 -2.574 94 HB3 SER 12 2HB SER 12 16.221 -5.527 -1.375 95 HG SER 12 HG SER 12 14.286 -5.223 -3.520 96 H VAL 13 H VAL 13 12.418 -4.876 -2.200 97 HA VAL 13 HA VAL 13 10.553 -5.547 -0.574 98 HB VAL 13 HB VAL 13 10.280 -6.119 -2.681 99 HG11 VAL 13 1HG1 VAL 13 11.112 -8.178 -3.726 100 HG12 VAL 13 2HG1 VAL 13 12.453 -7.087 -3.309 101 HG13 VAL 13 3HG1 VAL 13 12.116 -8.511 -2.295 102 HG21 VAL 13 3HG2 VAL 13 8.758 -7.052 -1.148 103 HG22 VAL 13 1HG2 VAL 13 9.048 -8.179 -2.494 104 HG23 VAL 13 2HG2 VAL 13 9.797 -8.477 -0.908 105 H ARG 14 H ARG 14 12.305 -8.596 -0.800 106 HA ARG 14 HA ARG 14 12.779 -10.217 0.783 107 HB2 ARG 14 1HB ARG 14 14.291 -7.798 1.514 108 HB3 ARG 14 2HB ARG 14 14.365 -9.231 2.590 109 HG2 ARG 14 1HG ARG 14 14.914 -9.438 -0.386 110 HG3 ARG 14 2HG ARG 14 16.181 -9.023 0.766 111 HD2 ARG 14 1HD ARG 14 15.510 -11.126 2.064 112 HD3 ARG 14 2HD ARG 14 14.536 -11.564 0.643 113 HE ARG 14 HE ARG 14 17.499 -11.039 0.548 114 HH11 ARG 14 1HH1 ARG 14 14.715 -13.069 -0.437 115 HH12 ARG 14 2HH1 ARG 14 15.724 -14.021 -1.559 116 HH21 ARG 14 1HH2 ARG 14 18.699 -12.326 -0.825 117 HH22 ARG 14 2HH2 ARG 14 17.907 -13.615 -1.770 118 H LYS 15 H LYS 15 12.965 -7.953 3.409 119 HA LYS 15 HA LYS 15 10.563 -9.214 4.754 120 HB2 LYS 15 1HB LYS 15 13.074 -8.031 6.016 121 HB3 LYS 15 2HB LYS 15 11.693 -8.609 6.899 122 HG2 LYS 15 1HG LYS 15 12.032 -10.859 5.808 123 HG3 LYS 15 2HG LYS 15 13.554 -10.221 5.163 124 HD2 LYS 15 1HD LYS 15 14.299 -9.678 7.486 125 HD3 LYS 15 2HD LYS 15 12.790 -10.328 8.122 126 HE2 LYS 15 1HE LYS 15 13.397 -12.531 6.965 127 HE3 LYS 15 2HE LYS 15 14.998 -11.832 6.686 128 HZ1 LYS 15 3HZ LYS 15 13.682 -12.141 9.305 129 HZ2 LYS 15 1HZ LYS 15 14.922 -13.099 8.694 130 HZ3 LYS 15 2HZ LYS 15 15.204 -11.477 9.039 131 H SER 16 H SER 16 9.702 -7.485 3.072 132 HA SER 16 HA SER 16 9.411 -4.715 3.858 133 HB2 SER 16 1HB SER 16 7.237 -6.452 2.627 134 HB3 SER 16 2HB SER 16 7.417 -4.703 2.509 135 HG SER 16 HG SER 16 8.764 -4.920 0.884 136 H VAL 17 H VAL 17 7.988 -7.652 4.934 137 HA VAL 17 HA VAL 17 6.159 -6.504 6.939 138 HB VAL 17 HB VAL 17 6.897 -9.182 5.754 139 HG11 VAL 17 1HG1 VAL 17 5.392 -10.413 7.239 140 HG12 VAL 17 2HG1 VAL 17 6.778 -9.748 8.137 141 HG13 VAL 17 3HG1 VAL 17 5.185 -8.962 8.249 142 HG21 VAL 17 3HG2 VAL 17 5.195 -7.816 4.668 143 HG22 VAL 17 1HG2 VAL 17 4.460 -9.287 5.346 144 HG23 VAL 17 2HG2 VAL 17 4.265 -7.729 6.182 145 H GLN 18 H GLN 18 6.825 -5.975 8.891 146 HA GLN 18 HA GLN 18 9.203 -7.399 10.130 147 HB2 GLN 18 1HB GLN 18 8.442 -4.474 10.597 148 HB3 GLN 18 2HB GLN 18 9.859 -5.286 11.176 149 HG2 GLN 18 1HG GLN 18 10.661 -5.556 8.813 150 HG3 GLN 18 2HG GLN 18 9.249 -4.716 8.247 151 HE21 GLN 18 1HE2 GLN 18 12.386 -4.506 9.388 152 HE22 GLN 18 2HE2 GLN 18 12.484 -2.725 9.440 153 H ASP 19 H ASP 19 8.861 -6.310 12.748 154 HA ASP 19 HA ASP 19 6.862 -8.102 13.832 155 HB2 ASP 19 1HB ASP 19 8.638 -6.032 15.131 156 HB3 ASP 19 2HB ASP 19 7.457 -6.928 16.042 157 H ASP 20 H ASP 20 4.944 -7.539 12.822 158 HA ASP 20 HA ASP 20 2.904 -6.537 12.492 159 HB2 ASP 20 1HB ASP 20 2.683 -7.106 14.900 160 HB3 ASP 20 2HB ASP 20 3.077 -5.457 15.298 161 H HIS 21 H HIS 21 5.302 -5.029 11.714 162 HA HIS 21 HA HIS 21 3.918 -2.444 11.127 163 HB2 HIS 21 1HB HIS 21 5.914 -1.131 11.480 164 HB3 HIS 21 2HB HIS 21 5.159 -1.788 12.976 165 HD2 HIS 21 HD2 HIS 21 8.423 -1.745 11.040 166 HE1 HIS 21 HE1 HIS 21 9.157 -3.742 14.685 167 HE2 HIS 21 HE2 HIS 21 10.244 -2.663 12.612 168 H ILE 22 H ILE 22 4.159 -1.832 9.140 169 HA ILE 22 HA ILE 22 6.014 -3.384 7.328 170 HB ILE 22 HB ILE 22 3.722 -4.023 7.088 171 HG12 ILE 22 1HG1 ILE 22 4.393 -2.702 4.517 172 HG13 ILE 22 2HG1 ILE 22 5.566 -3.809 5.215 173 HG21 ILE 22 1HG2 ILE 22 2.087 -2.545 5.995 174 HG22 ILE 22 2HG2 ILE 22 2.536 -1.924 7.601 175 HG23 ILE 22 3HG2 ILE 22 3.216 -1.177 6.136 176 HD11 ILE 22 3HD1 ILE 22 2.642 -4.432 4.688 177 HD12 ILE 22 1HD1 ILE 22 4.033 -4.979 3.723 178 HD13 ILE 22 2HD1 ILE 22 3.829 -5.553 5.395 179 H VAL 23 H VAL 23 7.393 -2.325 6.155 180 HA VAL 23 HA VAL 23 8.010 0.509 6.871 181 HB VAL 23 HB VAL 23 9.577 -1.322 6.964 182 HG11 VAL 23 1HG1 VAL 23 10.808 -1.941 4.935 183 HG12 VAL 23 2HG1 VAL 23 9.126 -2.518 4.866 184 HG13 VAL 23 3HG1 VAL 23 9.613 -1.082 3.935 185 HG21 VAL 23 3HG2 VAL 23 10.203 0.881 7.232 186 HG22 VAL 23 1HG2 VAL 23 11.413 0.023 6.251 187 HG23 VAL 23 2HG2 VAL 23 10.273 1.145 5.473 188 H CYS 24 H CYS 24 7.779 2.287 5.841 189 HA CYS 24 HA CYS 24 6.008 2.286 3.520 190 HB2 CYS 24 1HB CYS 24 5.786 3.925 5.365 191 HB3 CYS 24 2HB CYS 24 7.317 4.661 4.855 192 H LEU 25 H LEU 25 7.163 1.367 1.805 193 HA LEU 25 HA LEU 25 9.663 2.266 0.748 194 HB2 LEU 25 1HB LEU 25 7.180 1.252 -0.522 195 HB3 LEU 25 2HB LEU 25 8.536 1.900 -1.514 196 HG LEU 25 HG LEU 25 8.615 -0.575 -1.375 197 HD11 LEU 25 1HD1 LEU 25 10.896 -0.837 -0.606 198 HD12 LEU 25 2HD1 LEU 25 10.738 0.659 -1.556 199 HD13 LEU 25 3HD1 LEU 25 10.830 0.739 0.219 200 HD21 LEU 25 3HD2 LEU 25 7.415 -0.977 0.589 201 HD22 LEU 25 1HD2 LEU 25 9.006 -1.774 0.602 202 HD23 LEU 25 2HD2 LEU 25 8.737 -0.307 1.574 203 H GLU 26 H GLU 26 10.314 3.878 -0.488 204 HA GLU 26 HA GLU 26 10.567 6.025 -1.258 205 HB2 GLU 26 1HB GLU 26 8.291 5.355 -2.455 206 HB3 GLU 26 2HB GLU 26 7.637 6.619 -1.456 207 HG2 GLU 26 1HG GLU 26 9.127 8.270 -2.421 208 HG3 GLU 26 2HG GLU 26 10.069 7.046 -3.234 209 H CYS 27 H CYS 27 9.363 5.437 1.775 210 HA CYS 27 HA CYS 27 9.275 8.353 2.456 211 HB2 CYS 27 1HB CYS 27 7.011 6.959 2.422 212 HB3 CYS 27 2HB CYS 27 7.568 6.513 4.046 213 H GLY 28 H GLY 28 9.526 4.970 3.807 214 HA2 GLY 28 1HA GLY 28 11.687 4.272 4.927 215 HA3 GLY 28 2HA GLY 28 11.891 5.889 5.521 216 H GLY 29 H GLY 29 9.483 6.533 6.583 217 HA2 GLY 29 1HA GLY 29 9.389 5.343 9.204 218 HA3 GLY 29 2HA GLY 29 8.056 6.193 8.480 219 H SER 30 H SER 30 7.820 4.099 10.272 220 HA SER 30 HA SER 30 6.673 1.879 8.513 221 HB2 SER 30 1HB SER 30 8.803 1.314 9.778 222 HB3 SER 30 2HB SER 30 7.830 1.446 11.256 223 HG SER 30 HG SER 30 6.263 -0.014 9.814 224 H PHE 31 H PHE 31 4.844 0.885 9.138 225 HA PHE 31 HA PHE 31 3.224 1.908 11.399 226 HB2 PHE 31 1HB PHE 31 1.334 2.550 9.841 227 HB3 PHE 31 2HB PHE 31 2.713 3.689 9.996 228 HD1 PHE 31 HD1 PHE 31 2.255 0.637 7.754 229 HD2 PHE 31 HD2 PHE 31 2.822 4.877 8.086 230 HE1 PHE 31 HE1 PHE 31 3.351 0.660 5.535 231 HE2 PHE 31 HE2 PHE 31 3.837 4.911 5.830 232 HZ PHE 31 HZ PHE 31 4.101 2.804 4.560 233 H LYS 32 H LYS 32 1.042 0.983 11.501 234 HA LYS 32 HA LYS 32 0.919 -1.842 10.884 235 HB2 LYS 32 1HB LYS 32 -1.355 -1.809 11.606 236 HB3 LYS 32 2HB LYS 32 -0.261 -0.958 12.744 237 HG2 LYS 32 1HG LYS 32 -1.270 1.121 12.340 238 HG3 LYS 32 2HG LYS 32 -1.799 0.688 10.729 239 HD2 LYS 32 1HD LYS 32 -3.795 0.748 12.055 240 HD3 LYS 32 2HD LYS 32 -3.472 -0.946 11.885 241 HE2 LYS 32 1HE LYS 32 -2.330 -0.888 14.129 242 HE3 LYS 32 2HE LYS 32 -2.905 0.779 14.290 243 HZ1 LYS 32 3HZ LYS 32 -4.589 -1.589 13.796 244 HZ2 LYS 32 1HZ LYS 32 -4.416 -0.777 15.259 245 HZ3 LYS 32 2HZ LYS 32 -5.136 -0.006 13.949 246 H SER 33 H SER 33 -0.449 1.003 9.159 247 HA SER 33 HA SER 33 -1.138 -0.841 6.896 248 HB2 SER 33 1HB SER 33 -3.380 0.143 6.613 249 HB3 SER 33 2HB SER 33 -3.204 -0.790 8.088 250 HG SER 33 HG SER 33 -2.632 2.003 8.236 251 H LEU 34 H LEU 34 0.177 -0.177 5.420 252 HA LEU 34 HA LEU 34 0.662 2.586 4.585 253 HB2 LEU 34 1HB LEU 34 2.177 0.898 4.021 254 HB3 LEU 34 2HB LEU 34 0.935 0.098 3.003 255 HG LEU 34 HG LEU 34 0.936 2.075 1.466 256 HD11 LEU 34 1HD1 LEU 34 2.499 3.855 1.682 257 HD12 LEU 34 2HD1 LEU 34 1.408 3.841 3.088 258 HD13 LEU 34 3HD1 LEU 34 3.070 3.226 3.247 259 HD21 LEU 34 3HD2 LEU 34 2.519 0.238 1.095 260 HD22 LEU 34 1HD2 LEU 34 3.168 1.819 0.599 261 HD23 LEU 34 2HD2 LEU 34 3.709 1.073 2.120 262 H LYS 35 H LYS 35 -2.008 0.298 3.816 263 HA LYS 35 HA LYS 35 -3.109 1.424 1.530 264 HB2 LYS 35 1HB LYS 35 -5.354 0.893 2.396 265 HB3 LYS 35 2HB LYS 35 -4.146 -0.430 2.354 266 HG2 LYS 35 1HG LYS 35 -4.320 -0.788 4.541 267 HG3 LYS 35 2HG LYS 35 -4.227 0.961 4.920 268 HD2 LYS 35 1HD LYS 35 -6.808 -0.328 3.939 269 HD3 LYS 35 2HD LYS 35 -6.390 -0.281 5.639 270 HE2 LYS 35 1HE LYS 35 -6.189 2.247 5.456 271 HE3 LYS 35 2HE LYS 35 -6.783 2.127 3.813 272 HZ1 LYS 35 3HZ LYS 35 -8.185 1.206 6.217 273 HZ2 LYS 35 1HZ LYS 35 -8.496 2.602 5.330 274 HZ3 LYS 35 2HZ LYS 35 -8.755 1.091 4.639 275 H ARG 36 H ARG 36 -3.636 2.685 4.822 276 HA ARG 36 HA ARG 36 -5.102 5.097 4.050 277 HB2 ARG 36 1HB ARG 36 -5.103 3.953 6.348 278 HB3 ARG 36 2HB ARG 36 -3.546 4.666 6.624 279 HG2 ARG 36 1HG ARG 36 -5.188 6.092 7.594 280 HG3 ARG 36 2HG ARG 36 -4.580 6.940 6.184 281 HD2 ARG 36 1HD ARG 36 -6.543 6.182 4.878 282 HD3 ARG 36 2HD ARG 36 -7.161 5.347 6.316 283 HE ARG 36 HE ARG 36 -6.668 8.311 6.186 284 HH11 ARG 36 1HH1 ARG 36 -8.802 5.591 7.149 285 HH12 ARG 36 2HH1 ARG 36 -9.905 6.684 8.027 286 HH21 ARG 36 1HH2 ARG 36 -8.137 9.606 7.256 287 HH22 ARG 36 2HH2 ARG 36 -9.542 8.881 8.082 288 H HIS 37 H HIS 37 -1.815 4.824 5.426 289 HA HIS 37 HA HIS 37 -0.904 7.408 5.133 290 HB2 HIS 37 1HB HIS 37 0.296 5.905 6.420 291 HB3 HIS 37 2HB HIS 37 0.594 4.823 5.022 292 HD1 HIS 37 HD1 HIS 37 2.118 7.493 6.993 293 HD2 HIS 37 HD2 HIS 37 2.324 6.137 2.998 294 HE1 HIS 37 HE1 HIS 37 4.269 8.465 5.981 295 H LEU 38 H LEU 38 -0.722 4.764 2.760 296 HA LEU 38 HA LEU 38 0.724 5.951 0.647 297 HB2 LEU 38 1HB LEU 38 -0.159 3.579 1.068 298 HB3 LEU 38 2HB LEU 38 -1.606 4.154 0.164 299 HG LEU 38 HG LEU 38 0.288 2.842 -1.089 300 HD11 LEU 38 1HD1 LEU 38 -0.178 4.113 -3.118 301 HD12 LEU 38 2HD1 LEU 38 -1.663 3.898 -2.161 302 HD13 LEU 38 3HD1 LEU 38 -0.814 5.463 -2.149 303 HD21 LEU 38 3HD2 LEU 38 2.168 4.052 -0.256 304 HD22 LEU 38 1HD2 LEU 38 2.027 4.192 -2.025 305 HD23 LEU 38 2HD2 LEU 38 1.554 5.555 -0.982 306 H THR 39 H THR 39 -2.832 5.559 0.602 307 HA THR 39 HA THR 39 -3.443 7.544 -1.421 308 HB THR 39 HB THR 39 -5.327 6.534 0.693 309 HG1 THR 39 HG1 THR 39 -5.610 5.032 -1.366 310 HG21 THR 39 3HG2 THR 39 -5.687 7.393 -2.180 311 HG22 THR 39 1HG2 THR 39 -6.938 6.778 -1.074 312 HG23 THR 39 2HG2 THR 39 -6.153 8.342 -0.748 313 H THR 40 H THR 40 -3.063 7.960 2.093 314 HA THR 40 HA THR 40 -3.955 10.696 2.236 315 HB THR 40 HB THR 40 -1.919 9.294 4.052 316 HG1 THR 40 HG1 THR 40 -4.717 9.612 4.550 317 HG21 THR 40 3HG2 THR 40 -3.723 11.649 4.577 318 HG22 THR 40 1HG2 THR 40 -2.649 10.825 5.732 319 HG23 THR 40 2HG2 THR 40 -1.959 11.723 4.358 320 H HIS 41 H HIS 41 -0.596 9.403 1.908 321 HA HIS 41 HA HIS 41 0.386 12.227 1.639 322 HB2 HIS 41 1HB HIS 41 1.830 9.736 2.525 323 HB3 HIS 41 2HB HIS 41 2.643 11.237 2.161 324 HD2 HIS 41 HD2 HIS 41 2.660 10.055 5.036 325 HE1 HIS 41 HE1 HIS 41 0.302 13.410 6.036 326 HE2 HIS 41 HE2 HIS 41 1.957 11.648 6.932 327 H HIS 42 H HIS 42 1.932 9.274 0.430 328 HA HIS 42 HA HIS 42 2.686 10.155 -2.137 329 HB2 HIS 42 1HB HIS 42 1.882 7.337 -1.657 330 HB3 HIS 42 2HB HIS 42 3.236 8.023 -2.611 331 HD1 HIS 42 HD1 HIS 42 5.424 8.610 -1.384 332 HD2 HIS 42 HD2 HIS 42 2.384 7.051 1.096 333 HE1 HIS 42 HE1 HIS 42 6.517 8.040 0.870 334 H SER 43 H SER 43 -0.533 9.439 -0.917 335 HA SER 43 HA SER 43 -2.643 9.470 -1.914 336 HB2 SER 43 1HB SER 43 -1.358 10.675 -4.362 337 HB3 SER 43 2HB SER 43 -3.072 10.631 -3.968 338 HG SER 43 HG SER 43 -1.053 12.324 -3.064 339 H MET 44 H MET 44 -3.703 8.763 -4.268 340 HA MET 44 HA MET 44 -4.106 7.115 -5.837 341 HB2 MET 44 1HB MET 44 -1.239 6.249 -5.492 342 HB3 MET 44 2HB MET 44 -2.370 5.758 -6.794 343 HG2 MET 44 1HG MET 44 -2.372 8.054 -7.690 344 HG3 MET 44 2HG MET 44 -1.417 8.636 -6.355 345 HE1 MET 44 3HE MET 44 0.782 6.351 -5.954 346 HE2 MET 44 1HE MET 44 2.071 6.964 -7.017 347 HE3 MET 44 2HE MET 44 1.151 8.092 -5.993 348 H THR 45 H THR 45 -4.367 4.874 -6.248 349 HA THR 45 HA THR 45 -5.088 3.172 -3.933 350 HB THR 45 HB THR 45 -5.294 1.480 -5.900 351 HG1 THR 45 HG1 THR 45 -4.881 3.958 -7.222 352 HG21 THR 45 3HG2 THR 45 -7.110 3.886 -5.511 353 HG22 THR 45 1HG2 THR 45 -7.563 2.330 -6.248 354 HG23 THR 45 2HG2 THR 45 -7.123 2.404 -4.524 355 HA PRO 46 HA PRO 46 -1.385 1.179 -2.887 356 HB2 PRO 46 1HB PRO 46 -2.320 -1.237 -2.166 357 HB3 PRO 46 2HB PRO 46 -2.319 0.286 -1.156 358 HG2 PRO 46 1HG PRO 46 -4.630 -0.939 -2.793 359 HG3 PRO 46 2HG PRO 46 -4.716 -0.293 -1.157 360 HD2 PRO 46 1HD PRO 46 -5.352 1.314 -3.350 361 HD3 PRO 46 2HD PRO 46 -4.402 2.037 -1.960 362 H GLU 47 H GLU 47 -3.577 -0.999 -4.774 363 HA GLU 47 HA GLU 47 -1.585 -2.604 -6.002 364 HB2 GLU 47 1HB GLU 47 -4.346 -1.875 -6.648 365 HB3 GLU 47 2HB GLU 47 -3.332 -2.463 -8.005 366 HG2 GLU 47 1HG GLU 47 -4.356 -4.377 -7.195 367 HG3 GLU 47 2HG GLU 47 -2.727 -4.401 -6.434 368 H GLU 48 H GLU 48 -2.840 0.560 -7.198 369 HA GLU 48 HA GLU 48 -1.140 0.689 -9.588 370 HB2 GLU 48 1HB GLU 48 -3.198 2.164 -8.491 371 HB3 GLU 48 2HB GLU 48 -1.787 3.250 -8.517 372 HG2 GLU 48 1HG GLU 48 -1.504 3.017 -10.871 373 HG3 GLU 48 2HG GLU 48 -2.409 1.507 -10.932 374 H TYR 49 H TYR 49 -0.694 1.886 -6.260 375 HA TYR 49 HA TYR 49 1.899 3.044 -6.610 376 HB2 TYR 49 1HB TYR 49 0.629 3.528 -4.618 377 HB3 TYR 49 2HB TYR 49 0.544 1.848 -4.165 378 HD1 TYR 49 HD1 TYR 49 3.001 4.600 -4.778 379 HD2 TYR 49 HD2 TYR 49 2.106 0.899 -2.789 380 HE1 TYR 49 HE1 TYR 49 5.061 4.835 -3.413 381 HE2 TYR 49 HE2 TYR 49 4.159 1.136 -1.413 382 HH TYR 49 HH TYR 49 6.177 4.131 -1.682 383 H ARG 50 H ARG 50 1.031 -0.377 -5.808 384 HA ARG 50 HA ARG 50 3.712 -1.358 -5.346 385 HB2 ARG 50 1HB ARG 50 3.048 -3.388 -5.392 386 HB3 ARG 50 2HB ARG 50 1.536 -2.500 -4.963 387 HG2 ARG 50 1HG ARG 50 0.768 -4.196 -6.416 388 HG3 ARG 50 2HG ARG 50 0.939 -2.855 -7.505 389 HD2 ARG 50 1HD ARG 50 3.109 -3.703 -8.266 390 HD3 ARG 50 2HD ARG 50 2.988 -5.048 -7.123 391 HE ARG 50 HE ARG 50 0.959 -5.799 -8.320 392 HH11 ARG 50 1HH1 ARG 50 3.263 -3.727 -10.118 393 HH12 ARG 50 2HH1 ARG 50 2.546 -4.182 -11.687 394 HH21 ARG 50 1HH2 ARG 50 0.211 -6.401 -10.336 395 HH22 ARG 50 2HH2 ARG 50 0.881 -5.647 -11.806 396 H GLU 51 H GLU 51 2.021 -0.600 -8.354 397 HA GLU 51 HA GLU 51 3.864 -1.773 -10.288 398 HB2 GLU 51 1HB GLU 51 2.099 0.622 -10.687 399 HB3 GLU 51 2HB GLU 51 2.864 -0.372 -11.913 400 HG2 GLU 51 1HG GLU 51 1.533 -2.347 -10.626 401 HG3 GLU 51 2HG GLU 51 0.501 -1.017 -10.172 402 H LYS 52 H LYS 52 3.843 1.444 -8.731 403 HA LYS 52 HA LYS 52 6.084 2.673 -10.031 404 HB2 LYS 52 1HB LYS 52 4.736 3.978 -8.724 405 HB3 LYS 52 2HB LYS 52 4.881 2.877 -7.306 406 HG2 LYS 52 1HG LYS 52 6.022 4.978 -6.929 407 HG3 LYS 52 2HG LYS 52 7.176 3.609 -6.980 408 HD2 LYS 52 1HD LYS 52 7.710 4.271 -9.357 409 HD3 LYS 52 2HD LYS 52 6.722 5.720 -9.119 410 HE2 LYS 52 1HE LYS 52 8.180 6.455 -7.271 411 HE3 LYS 52 2HE LYS 52 9.116 4.964 -7.375 412 HZ1 LYS 52 3HZ LYS 52 8.857 6.986 -9.494 413 HZ2 LYS 52 1HZ LYS 52 10.183 6.755 -8.486 414 HZ3 LYS 52 2HZ LYS 52 9.750 5.565 -9.593 415 H TRP 53 H TRP 53 6.099 0.760 -7.013 416 HA TRP 53 HA TRP 53 9.037 0.514 -7.058 417 HB2 TRP 53 1HB TRP 53 6.848 -0.376 -5.166 418 HB3 TRP 53 2HB TRP 53 8.504 -0.918 -4.957 419 HD1 TRP 53 HD1 TRP 53 6.352 2.234 -4.750 420 HE1 TRP 53 HE1 TRP 53 7.734 4.168 -3.801 421 HE3 TRP 53 HE3 TRP 53 10.775 -0.155 -4.532 422 HZ2 TRP 53 HZ2 TRP 53 10.450 4.580 -3.101 423 HZ3 TRP 53 HZ3 TRP 53 12.785 1.021 -3.663 424 HH2 TRP 53 HH2 TRP 53 12.617 3.395 -2.963 425 H ASP 54 H ASP 54 6.876 -1.046 -8.898 426 HA ASP 54 HA ASP 54 6.597 -3.204 -9.884 427 HB2 ASP 54 1HB ASP 54 9.484 -3.702 -9.447 428 HB3 ASP 54 2HB ASP 54 8.412 -4.101 -10.829 429 H LEU 55 H LEU 55 6.087 -3.102 -7.044 430 HA LEU 55 HA LEU 55 7.669 -4.981 -5.554 431 HB2 LEU 55 1HB LEU 55 5.863 -2.987 -5.050 432 HB3 LEU 55 2HB LEU 55 5.073 -4.477 -4.430 433 HG LEU 55 HG LEU 55 6.426 -3.240 -2.679 434 HD11 LEU 55 1HD1 LEU 55 7.608 -5.161 -1.818 435 HD12 LEU 55 2HD1 LEU 55 6.019 -5.652 -2.451 436 HD13 LEU 55 3HD1 LEU 55 7.492 -5.978 -3.394 437 HD21 LEU 55 3HD2 LEU 55 8.123 -2.286 -4.037 438 HD22 LEU 55 1HD2 LEU 55 8.790 -3.261 -2.706 439 HD23 LEU 55 2HD2 LEU 55 8.796 -3.900 -4.366 440 HA PRO 56 HA PRO 56 5.981 -8.793 -7.320 441 HB2 PRO 56 1HB PRO 56 7.242 -10.508 -5.666 442 HB3 PRO 56 2HB PRO 56 8.040 -9.733 -7.033 443 HG2 PRO 56 1HG PRO 56 8.100 -8.909 -4.091 444 HG3 PRO 56 2HG PRO 56 9.453 -9.042 -5.211 445 HD2 PRO 56 1HD PRO 56 8.222 -6.574 -4.754 446 HD3 PRO 56 2HD PRO 56 8.745 -7.011 -6.453 447 H VAL 57 H VAL 57 4.574 -10.177 -7.032 448 HA VAL 57 HA VAL 57 2.501 -10.928 -6.434 449 HB VAL 57 HB VAL 57 4.051 -12.196 -5.038 450 HG11 VAL 57 1HG1 VAL 57 3.711 -12.148 -2.615 451 HG12 VAL 57 2HG1 VAL 57 4.485 -10.650 -3.182 452 HG13 VAL 57 3HG1 VAL 57 2.755 -10.655 -2.765 453 HG21 VAL 57 3HG2 VAL 57 1.986 -12.997 -5.740 454 HG22 VAL 57 1HG2 VAL 57 2.263 -13.441 -4.039 455 HG23 VAL 57 2HG2 VAL 57 1.138 -12.122 -4.443 456 H ASP 58 H ASP 58 2.964 -7.924 -6.178 457 HA ASP 58 HA ASP 58 1.884 -5.960 -5.320 458 HB2 ASP 58 1HB ASP 58 -0.449 -5.928 -5.439 459 HB3 ASP 58 2HB ASP 58 0.393 -6.535 -6.906 460 H TYR 59 H TYR 59 3.219 -6.958 -3.340 461 HA TYR 59 HA TYR 59 2.276 -8.170 -1.104 462 HB2 TYR 59 1HB TYR 59 4.012 -7.309 0.048 463 HB3 TYR 59 2HB TYR 59 4.519 -6.992 -1.643 464 HD1 TYR 59 HD1 TYR 59 3.963 -4.615 -2.572 465 HD2 TYR 59 HD2 TYR 59 4.009 -5.596 1.605 466 HE1 TYR 59 HE1 TYR 59 4.214 -2.214 -2.014 467 HE2 TYR 59 HE2 TYR 59 4.189 -3.189 2.169 468 HH TYR 59 HH TYR 59 5.484 -1.070 0.291 469 HA PRO 60 HA PRO 60 -1.124 -5.916 0.712 470 HB2 PRO 60 1HB PRO 60 -0.905 -6.708 3.223 471 HB3 PRO 60 2HB PRO 60 -1.594 -7.736 1.873 472 HG2 PRO 60 1HG PRO 60 1.229 -7.847 3.130 473 HG3 PRO 60 2HG PRO 60 0.180 -9.217 2.773 474 HD2 PRO 60 1HD PRO 60 2.096 -8.480 0.978 475 HD3 PRO 60 2HD PRO 60 0.524 -9.031 0.401 476 H MET 61 H MET 61 -1.189 -3.953 1.082 477 HA MET 61 HA MET 61 0.900 -2.411 2.406 478 HB2 MET 61 1HB MET 61 -1.861 -1.743 1.385 479 HB3 MET 61 2HB MET 61 -0.924 -0.575 2.288 480 HG2 MET 61 1HG MET 61 -0.533 -0.206 0.004 481 HG3 MET 61 2HG MET 61 0.958 -0.937 0.681 482 HE1 MET 61 3HE MET 61 2.014 -1.565 -1.561 483 HE2 MET 61 1HE MET 61 1.146 -2.334 -2.910 484 HE3 MET 61 2HE MET 61 0.686 -0.701 -2.371 485 H VAL 62 H VAL 62 -1.916 -4.094 3.565 486 HA VAL 62 HA VAL 62 -2.120 -2.564 6.100 487 HB VAL 62 HB VAL 62 -3.593 -5.148 5.704 488 HG11 VAL 62 1HG1 VAL 62 -5.332 -3.865 6.890 489 HG12 VAL 62 2HG1 VAL 62 -3.804 -3.850 7.803 490 HG13 VAL 62 3HG1 VAL 62 -4.294 -2.419 6.865 491 HG21 VAL 62 3HG2 VAL 62 -3.917 -4.165 3.542 492 HG22 VAL 62 1HG2 VAL 62 -5.397 -4.111 4.529 493 HG23 VAL 62 2HG2 VAL 62 -4.430 -2.637 4.294 494 H ALA 63 H ALA 63 -2.260 -4.007 8.148 495 HA ALA 63 HA ALA 63 0.281 -4.838 9.057 496 HB1 ALA 63 3HB ALA 63 -2.430 -5.836 9.932 497 HB2 ALA 63 1HB ALA 63 -0.912 -5.907 10.860 498 HB3 ALA 63 2HB ALA 63 -1.641 -4.332 10.463 499 HA PRO 64 HA PRO 64 1.679 -8.392 7.116 500 HB2 PRO 64 1HB PRO 64 2.739 -9.766 9.226 501 HB3 PRO 64 2HB PRO 64 3.537 -8.439 8.261 502 HG2 PRO 64 1HG PRO 64 2.100 -8.245 10.980 503 HG3 PRO 64 2HG PRO 64 3.621 -7.487 10.524 504 HD2 PRO 64 1HD PRO 64 1.351 -6.023 10.367 505 HD3 PRO 64 2HD PRO 64 2.531 -5.887 9.065 506 H ALA 65 H ALA 65 -0.164 -9.014 10.106 507 HA ALA 65 HA ALA 65 -1.252 -11.472 8.739 508 HB1 ALA 65 3HB ALA 65 -0.757 -11.012 11.689 509 HB2 ALA 65 1HB ALA 65 -1.552 -12.441 10.988 510 HB3 ALA 65 2HB ALA 65 0.149 -12.089 10.601 511 H TYR 66 H TYR 66 -2.327 -8.696 8.615 512 HA TYR 66 HA TYR 66 -4.400 -8.069 10.384 513 HB2 TYR 66 1HB TYR 66 -3.595 -6.540 8.759 514 HB3 TYR 66 2HB TYR 66 -4.200 -7.567 7.420 515 HD1 TYR 66 HD1 TYR 66 -5.258 -5.354 10.243 516 HD2 TYR 66 HD2 TYR 66 -6.412 -7.396 6.646 517 HE1 TYR 66 HE1 TYR 66 -7.416 -4.138 10.241 518 HE2 TYR 66 HE2 TYR 66 -8.577 -6.192 6.651 519 HH TYR 66 HH TYR 66 -9.065 -3.373 8.463 520 H ALA 67 H ALA 67 -4.713 -10.069 7.462 521 HA ALA 67 HA ALA 67 -7.180 -11.408 8.622 522 HB1 ALA 67 3HB ALA 67 -6.919 -10.366 5.815 523 HB2 ALA 67 1HB ALA 67 -8.238 -11.370 6.462 524 HB3 ALA 67 2HB ALA 67 -7.973 -9.730 7.101 525 H GLU 68 H GLU 68 -4.672 -12.403 8.977 526 HA GLU 68 HA GLU 68 -3.435 -14.341 8.777 527 HB2 GLU 68 1HB GLU 68 -5.699 -15.119 9.362 528 HB3 GLU 68 2HB GLU 68 -5.988 -15.452 7.615 529 HG2 GLU 68 1HG GLU 68 -5.557 -17.515 8.574 530 HG3 GLU 68 2HG GLU 68 -4.020 -17.039 7.776 531 H ALA 69 H ALA 69 -3.305 -12.551 6.436 532 HA ALA 69 HA ALA 69 -2.880 -12.382 4.188 533 HB1 ALA 69 3HB ALA 69 -1.182 -14.761 4.798 534 HB2 ALA 69 1HB ALA 69 -1.065 -13.740 3.346 535 HB3 ALA 69 2HB ALA 69 -0.773 -13.037 4.954 536 H ARG 70 H ARG 70 -5.320 -13.911 4.716 537 HA ARG 70 HA ARG 70 -5.736 -16.323 3.438 538 HB2 ARG 70 1HB ARG 70 -7.596 -13.983 3.911 539 HB3 ARG 70 2HB ARG 70 -8.173 -15.443 3.173 540 HG2 ARG 70 1HG ARG 70 -7.743 -16.734 5.062 541 HG3 ARG 70 2HG ARG 70 -6.648 -15.518 5.759 542 HD2 ARG 70 1HD ARG 70 -8.432 -14.415 6.741 543 HD3 ARG 70 2HD ARG 70 -9.286 -14.322 5.225 544 HE ARG 70 HE ARG 70 -10.625 -16.002 5.875 545 HH11 ARG 70 1HH1 ARG 70 -7.643 -16.418 7.835 546 HH12 ARG 70 2HH1 ARG 70 -8.417 -17.673 8.839 547 HH21 ARG 70 1HH2 ARG 70 -11.492 -17.571 7.168 548 HH22 ARG 70 2HH2 ARG 70 -10.521 -18.305 8.474 549 H SER 71 H SER 71 -7.406 -13.726 1.693 550 HA SER 71 HA SER 71 -6.467 -14.884 -0.909 551 HB2 SER 71 1HB SER 71 -8.211 -13.391 -1.879 552 HB3 SER 71 2HB SER 71 -8.841 -14.565 -0.711 553 HG SER 71 HG SER 71 -8.154 -11.789 -0.124 554 H ARG 72 H ARG 72 -4.331 -14.211 -0.410 555 HA ARG 72 HA ARG 72 -2.442 -12.925 -0.623 556 HB2 ARG 72 1HB ARG 72 -4.218 -11.402 -2.506 557 HB3 ARG 72 2HB ARG 72 -2.466 -11.081 -2.288 558 HG2 ARG 72 1HG ARG 72 -3.526 -13.808 -3.191 559 HG3 ARG 72 2HG ARG 72 -3.084 -12.571 -4.315 560 HD2 ARG 72 1HD ARG 72 -1.124 -13.710 -4.226 561 HD3 ARG 72 2HD ARG 72 -0.795 -12.596 -2.912 562 HE ARG 72 HE ARG 72 -2.114 -15.136 -2.192 563 HH11 ARG 72 1HH1 ARG 72 0.832 -13.110 -2.054 564 HH12 ARG 72 2HH1 ARG 72 1.688 -14.301 -1.039 565 HH21 ARG 72 1HH2 ARG 72 -0.991 -16.547 -0.866 566 HH22 ARG 72 2HH2 ARG 72 0.688 -16.182 -0.384 567 H LEU 73 H LEU 73 -4.424 -12.175 1.476 568 HA LEU 73 HA LEU 73 -4.968 -10.544 3.090 569 HB2 LEU 73 1HB LEU 73 -2.490 -10.732 3.232 570 HB3 LEU 73 2HB LEU 73 -2.477 -9.128 2.398 571 HG LEU 73 HG LEU 73 -2.087 -8.912 4.755 572 HD11 LEU 73 1HD1 LEU 73 -3.833 -7.330 5.419 573 HD12 LEU 73 2HD1 LEU 73 -3.330 -7.062 3.733 574 HD13 LEU 73 3HD1 LEU 73 -4.865 -7.892 4.082 575 HD21 LEU 73 3HD2 LEU 73 -3.010 -10.901 5.577 576 HD22 LEU 73 1HD2 LEU 73 -3.700 -9.505 6.439 577 HD23 LEU 73 2HD2 LEU 73 -4.661 -10.353 5.203 578 H ALA 74 H ALA 74 -3.449 -8.685 0.430 579 HA ALA 74 HA ALA 74 -5.352 -6.434 0.635 580 HB1 ALA 74 3HB ALA 74 -3.247 -7.095 -1.428 581 HB2 ALA 74 1HB ALA 74 -4.126 -5.556 -1.264 582 HB3 ALA 74 2HB ALA 74 -3.023 -6.093 0.025 583 H LYS 75 H LYS 75 -7.323 -6.552 0.055 584 HA LYS 75 HA LYS 75 -8.081 -7.804 -2.622 585 HB2 LYS 75 1HB LYS 75 -10.015 -8.762 -1.676 586 HB3 LYS 75 2HB LYS 75 -8.491 -9.442 -1.015 587 HG2 LYS 75 1HG LYS 75 -9.163 -7.489 0.850 588 HG3 LYS 75 2HG LYS 75 -10.734 -8.136 0.389 589 HD2 LYS 75 1HD LYS 75 -9.727 -10.484 0.776 590 HD3 LYS 75 2HD LYS 75 -8.365 -9.672 1.524 591 HE2 LYS 75 1HE LYS 75 -9.826 -10.207 3.303 592 HE3 LYS 75 2HE LYS 75 -10.089 -8.485 3.032 593 HZ1 LYS 75 3HZ LYS 75 -11.752 -10.671 1.974 594 HZ2 LYS 75 1HZ LYS 75 -12.126 -9.664 3.267 595 HZ3 LYS 75 2HZ LYS 75 -12.004 -9.028 1.715 596 H GLU 76 H GLU 76 -7.701 -5.487 -3.161 597 HA GLU 76 HA GLU 76 -10.286 -3.996 -3.284 598 HB2 GLU 76 1HB GLU 76 -9.890 -2.170 -2.059 599 HB3 GLU 76 2HB GLU 76 -9.499 -3.558 -0.979 600 HG2 GLU 76 1HG GLU 76 -7.560 -1.669 -2.313 601 HG3 GLU 76 2HG GLU 76 -7.993 -1.747 -0.574 602 H MET 77 H MET 77 -10.435 -2.528 -4.701 603 HA MET 77 HA MET 77 -8.013 -1.470 -6.213 604 HB2 MET 77 1HB MET 77 -8.994 -1.835 -8.322 605 HB3 MET 77 2HB MET 77 -8.368 -3.292 -7.475 606 HG2 MET 77 1HG MET 77 -11.292 -2.592 -7.515 607 HG3 MET 77 2HG MET 77 -10.506 -3.518 -8.834 608 HE1 MET 77 3HE MET 77 -8.737 -5.617 -7.890 609 HE2 MET 77 1HE MET 77 -9.815 -6.942 -7.387 610 HE3 MET 77 2HE MET 77 -10.204 -5.980 -8.832 611 H GLY 78 H GLY 78 -11.601 -1.378 -6.071 612 HA2 GLY 78 1HA GLY 78 -13.081 0.454 -6.281 613 HA3 GLY 78 2HA GLY 78 -11.801 1.480 -5.635 614 H LEU 79 H LEU 79 -12.609 3.086 -7.020 615 HA LEU 79 HA LEU 79 -12.576 4.431 -8.888 616 HB2 LEU 79 1HB LEU 79 -10.026 2.983 -9.059 617 HB3 LEU 79 2HB LEU 79 -10.557 3.949 -10.481 618 HG LEU 79 HG LEU 79 -9.024 5.231 -8.994 619 HD11 LEU 79 1HD1 LEU 79 -10.401 7.220 -8.731 620 HD12 LEU 79 2HD1 LEU 79 -10.735 6.438 -10.295 621 HD13 LEU 79 3HD1 LEU 79 -11.879 6.254 -8.944 622 HD21 LEU 79 3HD2 LEU 79 -9.373 4.169 -6.929 623 HD22 LEU 79 1HD2 LEU 79 -9.605 5.931 -6.819 624 HD23 LEU 79 2HD2 LEU 79 -11.016 4.845 -6.823 625 H GLY 80 H GLY 80 -12.864 4.775 -11.119 626 HA2 GLY 80 1HA GLY 80 -14.425 2.666 -12.516 627 HA3 GLY 80 2HA GLY 80 -14.045 4.257 -13.141 628 H GLN 81 H GLN 81 -12.494 1.128 -12.347 629 HA GLN 81 HA GLN 81 -10.473 1.525 -14.536 630 HB2 GLN 81 1HB GLN 81 -9.324 -0.247 -13.792 631 HB3 GLN 81 2HB GLN 81 -9.807 0.743 -12.367 632 HG2 GLN 81 1HG GLN 81 -10.165 -1.335 -11.470 633 HG3 GLN 81 2HG GLN 81 -11.722 -1.166 -12.264 634 HE21 GLN 81 1HE2 GLN 81 -12.349 -2.810 -13.517 635 HE22 GLN 81 2HE2 GLN 81 -11.247 -3.917 -14.378 636 H ARG 82 H ARG 82 -10.608 0.860 -16.434 637 HA ARG 82 HA ARG 82 -11.957 -1.428 -17.522 638 HB2 ARG 82 1HB ARG 82 -13.986 0.112 -16.783 639 HB3 ARG 82 2HB ARG 82 -13.582 1.030 -18.215 640 HG2 ARG 82 1HG ARG 82 -13.671 -1.192 -19.496 641 HG3 ARG 82 2HG ARG 82 -14.425 -1.860 -18.040 642 HD2 ARG 82 1HD ARG 82 -16.048 0.240 -18.232 643 HD3 ARG 82 2HD ARG 82 -15.495 0.311 -19.888 644 HE ARG 82 HE ARG 82 -17.394 -1.458 -18.786 645 HH11 ARG 82 1HH1 ARG 82 -14.754 -1.650 -21.226 646 HH12 ARG 82 2HH1 ARG 82 -15.576 -2.992 -22.068 647 HH21 ARG 82 1HH2 ARG 82 -18.316 -3.109 -19.897 648 HH22 ARG 82 2HH2 ARG 82 -17.520 -3.788 -21.342 649 H ARG 83 H ARG 83 -12.176 1.908 -18.764 650 HA ARG 83 HA ARG 83 -10.708 1.411 -21.193 651 HB2 ARG 83 1HB ARG 83 -11.947 3.801 -19.863 652 HB3 ARG 83 2HB ARG 83 -10.688 4.149 -21.008 653 HG2 ARG 83 1HG ARG 83 -12.241 2.216 -22.254 654 HG3 ARG 83 2HG ARG 83 -13.378 3.331 -21.418 655 HD2 ARG 83 1HD ARG 83 -12.100 5.289 -22.413 656 HD3 ARG 83 2HD ARG 83 -11.084 4.158 -23.302 657 HE ARG 83 HE ARG 83 -13.895 3.698 -23.830 658 HH11 ARG 83 1HH1 ARG 83 -10.966 5.405 -24.936 659 HH12 ARG 83 2HH1 ARG 83 -11.771 5.999 -26.413 660 HH21 ARG 83 1HH2 ARG 83 -14.805 4.378 -25.766 661 HH22 ARG 83 2HH2 ARG 83 -13.880 5.429 -26.870 662 H LYS 84 H LYS 84 -9.816 3.284 -18.330 663 HA LYS 84 HA LYS 84 -7.755 4.091 -17.463 664 HB2 LYS 84 1HB LYS 84 -7.528 1.507 -17.500 665 HB3 LYS 84 2HB LYS 84 -6.325 1.816 -18.725 666 HG2 LYS 84 1HG LYS 84 -4.931 2.903 -17.312 667 HG3 LYS 84 2HG LYS 84 -6.259 3.455 -16.242 668 HD2 LYS 84 1HD LYS 84 -6.616 1.015 -15.552 669 HD3 LYS 84 2HD LYS 84 -5.215 0.564 -16.495 670 HE2 LYS 84 1HE LYS 84 -3.741 1.766 -15.081 671 HE3 LYS 84 2HE LYS 84 -5.088 2.601 -14.270 672 HZ1 LYS 84 3HZ LYS 84 -4.584 -0.310 -14.237 673 HZ2 LYS 84 1HZ LYS 84 -4.274 0.758 -12.974 674 HZ3 LYS 84 2HZ LYS 84 -5.856 0.479 -13.470 675 H ALA 85 H ALA 85 -8.263 5.860 -18.908 676 HA ALA 85 HA ALA 85 -5.792 6.619 -20.414 677 HB1 ALA 85 3HB ALA 85 -8.516 6.673 -21.722 678 HB2 ALA 85 1HB ALA 85 -7.020 7.386 -22.370 679 HB3 ALA 85 2HB ALA 85 -7.147 5.623 -22.160 680 H ASN 86 H ASN 86 -5.623 7.760 -18.463 681 HA ASN 86 HA ASN 86 -6.342 10.553 -18.604 682 HB2 ASN 86 1HB ASN 86 -8.515 9.211 -17.650 683 HB3 ASN 86 2HB ASN 86 -7.617 9.461 -16.144 684 HD21 ASN 86 1HD2 ASN 86 -9.541 10.898 -18.623 685 HD22 ASN 86 2HD2 ASN 86 -9.329 12.611 -18.172 686 H ARG 87 H ARG 87 -5.578 11.750 -16.747 687 HA ARG 87 HA ARG 87 -3.060 10.759 -15.690 688 HB2 ARG 87 1HB ARG 87 -2.942 13.000 -14.587 689 HB3 ARG 87 2HB ARG 87 -3.350 13.135 -16.262 690 HG2 ARG 87 1HG ARG 87 -5.209 14.252 -15.756 691 HG3 ARG 87 2HG ARG 87 -5.800 12.959 -14.730 692 HD2 ARG 87 1HD ARG 87 -5.602 14.785 -13.266 693 HD3 ARG 87 2HD ARG 87 -4.125 13.884 -12.948 694 HE ARG 87 HE ARG 87 -3.754 15.851 -15.050 695 HH11 ARG 87 1HH1 ARG 87 -3.345 15.173 -11.586 696 HH12 ARG 87 2HH1 ARG 87 -2.603 16.765 -11.272 697 HH21 ARG 87 1HH2 ARG 87 -2.698 17.790 -14.614 698 HH22 ARG 87 2HH2 ARG 87 -2.242 18.202 -12.940 Start of MODEL 4 1 H1 ALA 1 1H ALA 1 4.740 18.125 6.479 2 HA ALA 1 HA ALA 1 7.246 19.453 6.359 3 HB1 ALA 1 3HB ALA 1 5.929 19.622 9.072 4 HB2 ALA 1 1HB ALA 1 7.638 19.973 8.724 5 HB3 ALA 1 2HB ALA 1 6.359 20.973 7.995 6 H VAL 2 H VAL 2 8.138 17.617 5.715 7 HA VAL 2 HA VAL 2 8.993 15.488 7.255 8 HB VAL 2 HB VAL 2 6.785 14.873 7.754 9 HG11 VAL 2 1HG1 VAL 2 5.290 13.821 6.125 10 HG12 VAL 2 2HG1 VAL 2 5.519 15.548 5.763 11 HG13 VAL 2 3HG1 VAL 2 6.368 14.316 4.798 12 HG21 VAL 2 3HG2 VAL 2 8.461 13.263 7.859 13 HG22 VAL 2 1HG2 VAL 2 6.951 12.536 7.258 14 HG23 VAL 2 2HG2 VAL 2 8.285 12.881 6.130 15 H ASN 3 H ASN 3 7.383 15.872 4.037 16 HA ASN 3 HA ASN 3 9.222 14.564 2.393 17 HB2 ASN 3 1HB ASN 3 6.820 15.610 1.969 18 HB3 ASN 3 2HB ASN 3 7.726 17.013 1.460 19 HD21 ASN 3 1HD2 ASN 3 6.036 15.080 -0.106 20 HD22 ASN 3 2HD2 ASN 3 7.166 14.455 -1.279 21 H VAL 4 H VAL 4 10.557 15.691 0.686 22 HA VAL 4 HA VAL 4 12.577 16.441 0.151 23 HB VAL 4 HB VAL 4 11.374 18.567 0.560 24 HG11 VAL 4 1HG1 VAL 4 12.618 20.184 1.901 25 HG12 VAL 4 2HG1 VAL 4 11.838 18.959 2.931 26 HG13 VAL 4 3HG1 VAL 4 13.587 18.870 2.611 27 HG21 VAL 4 3HG2 VAL 4 12.996 18.117 -1.098 28 HG22 VAL 4 1HG2 VAL 4 13.344 19.682 -0.327 29 HG23 VAL 4 2HG2 VAL 4 14.318 18.251 0.084 30 H GLU 5 H GLU 5 12.146 16.358 3.723 31 HA GLU 5 HA GLU 5 14.907 15.287 3.965 32 HB2 GLU 5 1HB GLU 5 15.024 16.299 6.138 33 HB3 GLU 5 2HB GLU 5 14.844 17.464 4.787 34 HG2 GLU 5 1HG GLU 5 12.406 17.661 5.389 35 HG3 GLU 5 2HG GLU 5 12.718 16.656 6.810 36 H LYS 6 H LYS 6 13.256 13.332 3.393 37 HA LYS 6 HA LYS 6 13.209 11.614 5.596 38 HB2 LYS 6 1HB LYS 6 11.059 13.170 6.028 39 HB3 LYS 6 2HB LYS 6 10.320 11.981 4.971 40 HG2 LYS 6 1HG LYS 6 10.054 11.167 7.181 41 HG3 LYS 6 2HG LYS 6 11.341 10.180 6.470 42 HD2 LYS 6 1HD LYS 6 13.040 11.765 7.574 43 HD3 LYS 6 2HD LYS 6 11.713 12.539 8.398 44 HE2 LYS 6 1HE LYS 6 11.120 10.434 9.484 45 HE3 LYS 6 2HE LYS 6 12.447 9.619 8.621 46 HZ1 LYS 6 3HZ LYS 6 12.728 11.923 10.451 47 HZ2 LYS 6 1HZ LYS 6 13.112 10.326 10.812 48 HZ3 LYS 6 2HZ LYS 6 13.982 11.153 9.636 49 H GLN 7 H GLN 7 11.358 12.241 2.535 50 HA GLN 7 HA GLN 7 10.589 9.723 1.853 51 HB2 GLN 7 1HB GLN 7 11.403 12.054 0.161 52 HB3 GLN 7 2HB GLN 7 10.824 10.509 -0.543 53 HG2 GLN 7 1HG GLN 7 8.738 10.836 0.952 54 HG3 GLN 7 2HG GLN 7 9.293 12.496 1.163 55 HE21 GLN 7 1HE2 GLN 7 7.086 10.871 -0.483 56 HE22 GLN 7 2HE2 GLN 7 7.109 11.780 -1.962 57 H LYS 8 H LYS 8 12.223 8.235 2.539 58 HA LYS 8 HA LYS 8 14.282 7.755 0.477 59 HB2 LYS 8 1HB LYS 8 14.160 7.196 3.442 60 HB3 LYS 8 2HB LYS 8 15.298 6.356 2.395 61 HG2 LYS 8 1HG LYS 8 16.148 8.608 1.603 62 HG3 LYS 8 2HG LYS 8 15.092 9.378 2.774 63 HD2 LYS 8 1HD LYS 8 16.272 8.272 4.633 64 HD3 LYS 8 2HD LYS 8 17.249 7.346 3.517 65 HE2 LYS 8 1HE LYS 8 18.592 9.209 4.251 66 HE3 LYS 8 2HE LYS 8 18.148 9.581 2.610 67 HZ1 LYS 8 3HZ LYS 8 16.842 10.613 5.012 68 HZ2 LYS 8 1HZ LYS 8 17.927 11.417 4.009 69 HZ3 LYS 8 2HZ LYS 8 16.413 10.973 3.426 70 HA PRO 9 HA PRO 9 12.474 3.783 -0.583 71 HB2 PRO 9 1HB PRO 9 14.731 2.492 -1.466 72 HB3 PRO 9 2HB PRO 9 13.868 3.679 -2.444 73 HG2 PRO 9 1HG PRO 9 16.352 4.093 -0.715 74 HG3 PRO 9 2HG PRO 9 16.056 4.666 -2.355 75 HD2 PRO 9 1HD PRO 9 15.596 6.319 -0.140 76 HD3 PRO 9 2HD PRO 9 14.467 6.388 -1.577 77 H ALA 10 H ALA 10 11.909 2.202 0.744 78 HA ALA 10 HA ALA 10 13.368 1.730 3.253 79 HB1 ALA 10 3HB ALA 10 10.691 0.845 2.183 80 HB2 ALA 10 1HB ALA 10 11.317 0.564 3.825 81 HB3 ALA 10 2HB ALA 10 11.008 2.224 3.263 82 H VAL 11 H VAL 11 15.053 0.948 1.484 83 HA VAL 11 HA VAL 11 16.333 -0.632 0.519 84 HB VAL 11 HB VAL 11 15.132 -2.737 2.306 85 HG11 VAL 11 1HG1 VAL 11 17.402 -3.578 2.276 86 HG12 VAL 11 2HG1 VAL 11 16.766 -3.473 0.618 87 HG13 VAL 11 3HG1 VAL 11 17.913 -2.248 1.209 88 HG21 VAL 11 3HG2 VAL 11 15.559 -0.804 3.722 89 HG22 VAL 11 1HG2 VAL 11 16.721 -2.124 3.989 90 HG23 VAL 11 2HG2 VAL 11 17.206 -0.686 3.059 91 H SER 12 H SER 12 15.638 -3.426 -0.179 92 HA SER 12 HA SER 12 13.554 -2.999 -2.237 93 HB2 SER 12 1HB SER 12 15.772 -3.693 -3.124 94 HB3 SER 12 2HB SER 12 15.787 -5.086 -2.034 95 HG SER 12 HG SER 12 15.067 -5.698 -4.133 96 H VAL 13 H VAL 13 11.796 -4.173 -2.198 97 HA VAL 13 HA VAL 13 10.142 -4.953 -0.560 98 HB VAL 13 HB VAL 13 9.686 -5.419 -2.785 99 HG11 VAL 13 1HG1 VAL 13 10.396 -7.380 -3.934 100 HG12 VAL 13 2HG1 VAL 13 11.814 -6.391 -3.510 101 HG13 VAL 13 3HG1 VAL 13 11.440 -7.859 -2.575 102 HG21 VAL 13 3HG2 VAL 13 8.205 -6.230 -1.208 103 HG22 VAL 13 1HG2 VAL 13 8.357 -7.301 -2.622 104 HG23 VAL 13 2HG2 VAL 13 9.122 -7.750 -1.078 105 H ARG 14 H ARG 14 11.531 -8.125 -1.129 106 HA ARG 14 HA ARG 14 11.651 -9.924 0.255 107 HB2 ARG 14 1HB ARG 14 13.799 -9.242 -0.285 108 HB3 ARG 14 2HB ARG 14 13.848 -8.094 1.091 109 HG2 ARG 14 1HG ARG 14 13.814 -9.963 2.677 110 HG3 ARG 14 2HG ARG 14 13.639 -11.125 1.365 111 HD2 ARG 14 1HD ARG 14 15.860 -10.921 0.708 112 HD3 ARG 14 2HD ARG 14 15.991 -9.249 1.241 113 HE ARG 14 HE ARG 14 16.843 -10.001 3.188 114 HH11 ARG 14 1HH1 ARG 14 14.713 -12.664 2.134 115 HH12 ARG 14 2HH1 ARG 14 15.159 -13.649 3.489 116 HH21 ARG 14 1HH2 ARG 14 17.288 -11.323 4.903 117 HH22 ARG 14 2HH2 ARG 14 16.574 -12.894 5.019 118 H LYS 15 H LYS 15 12.684 -7.717 2.832 119 HA LYS 15 HA LYS 15 10.710 -8.863 4.696 120 HB2 LYS 15 1HB LYS 15 13.537 -7.928 4.888 121 HB3 LYS 15 2HB LYS 15 12.527 -7.545 6.258 122 HG2 LYS 15 1HG LYS 15 12.433 -10.337 5.163 123 HG3 LYS 15 2HG LYS 15 13.822 -9.812 6.128 124 HD2 LYS 15 1HD LYS 15 12.260 -9.117 7.971 125 HD3 LYS 15 2HD LYS 15 10.892 -9.656 7.018 126 HE2 LYS 15 1HE LYS 15 11.593 -11.945 7.129 127 HE3 LYS 15 2HE LYS 15 13.173 -11.499 7.789 128 HZ1 LYS 15 3HZ LYS 15 10.569 -11.053 9.094 129 HZ2 LYS 15 1HZ LYS 15 11.685 -12.249 9.482 130 HZ3 LYS 15 2HZ LYS 15 12.070 -10.629 9.722 131 H SER 16 H SER 16 9.946 -6.647 2.744 132 HA SER 16 HA SER 16 9.311 -4.273 3.891 133 HB2 SER 16 1HB SER 16 7.252 -6.035 2.500 134 HB3 SER 16 2HB SER 16 7.231 -4.295 2.633 135 HG SER 16 HG SER 16 8.034 -4.629 0.682 136 H VAL 17 H VAL 17 8.017 -7.379 4.871 137 HA VAL 17 HA VAL 17 6.283 -6.322 6.974 138 HB VAL 17 HB VAL 17 6.877 -8.967 5.723 139 HG11 VAL 17 1HG1 VAL 17 5.658 -10.217 7.437 140 HG12 VAL 17 2HG1 VAL 17 7.170 -9.545 8.089 141 HG13 VAL 17 3HG1 VAL 17 5.614 -8.774 8.476 142 HG21 VAL 17 3HG2 VAL 17 4.943 -7.585 5.025 143 HG22 VAL 17 1HG2 VAL 17 4.383 -9.083 5.804 144 HG23 VAL 17 2HG2 VAL 17 4.353 -7.549 6.704 145 H GLN 18 H GLN 18 7.263 -5.611 8.810 146 HA GLN 18 HA GLN 18 9.498 -7.222 9.946 147 HB2 GLN 18 1HB GLN 18 8.763 -4.297 10.357 148 HB3 GLN 18 2HB GLN 18 10.038 -5.136 11.200 149 HG2 GLN 18 1HG GLN 18 11.223 -5.544 9.067 150 HG3 GLN 18 2HG GLN 18 9.921 -4.792 8.175 151 HE21 GLN 18 1HE2 GLN 18 10.683 -2.946 7.420 152 HE22 GLN 18 2HE2 GLN 18 11.459 -1.742 8.421 153 H ASP 19 H ASP 19 9.065 -6.059 12.619 154 HA ASP 19 HA ASP 19 7.293 -8.094 13.741 155 HB2 ASP 19 1HB ASP 19 8.671 -5.778 15.048 156 HB3 ASP 19 2HB ASP 19 7.933 -7.214 15.829 157 H ASP 20 H ASP 20 5.302 -7.572 12.638 158 HA ASP 20 HA ASP 20 3.235 -6.721 12.411 159 HB2 ASP 20 1HB ASP 20 3.608 -6.253 15.290 160 HB3 ASP 20 2HB ASP 20 2.189 -5.600 14.454 161 H HIS 21 H HIS 21 5.509 -5.036 11.585 162 HA HIS 21 HA HIS 21 4.048 -2.513 11.203 163 HB2 HIS 21 1HB HIS 21 5.975 -1.150 11.565 164 HB3 HIS 21 2HB HIS 21 5.271 -1.888 13.046 165 HD1 HIS 21 HD1 HIS 21 6.873 -3.639 14.293 166 HD2 HIS 21 HD2 HIS 21 8.476 -1.709 11.013 167 HE1 HIS 21 HE1 HIS 21 9.404 -3.637 14.650 168 H ILE 22 H ILE 22 4.110 -1.887 9.234 169 HA ILE 22 HA ILE 22 5.874 -3.205 7.253 170 HB ILE 22 HB ILE 22 3.551 -3.768 6.806 171 HG12 ILE 22 1HG1 ILE 22 4.460 -1.755 4.845 172 HG13 ILE 22 2HG1 ILE 22 5.128 -3.409 5.028 173 HG21 ILE 22 1HG2 ILE 22 1.852 -2.144 6.363 174 HG22 ILE 22 2HG2 ILE 22 2.430 -1.963 8.037 175 HG23 ILE 22 3HG2 ILE 22 2.953 -0.810 6.785 176 HD11 ILE 22 3HD1 ILE 22 2.243 -2.707 4.382 177 HD12 ILE 22 1HD1 ILE 22 3.462 -3.308 3.231 178 HD13 ILE 22 2HD1 ILE 22 2.905 -4.350 4.563 179 H VAL 23 H VAL 23 7.193 -1.963 6.054 180 HA VAL 23 HA VAL 23 7.763 0.782 7.010 181 HB VAL 23 HB VAL 23 9.380 -1.000 7.128 182 HG11 VAL 23 1HG1 VAL 23 10.634 -1.673 5.132 183 HG12 VAL 23 2HG1 VAL 23 8.953 -2.255 5.058 184 HG13 VAL 23 3HG1 VAL 23 9.450 -0.844 4.095 185 HG21 VAL 23 3HG2 VAL 23 10.009 1.204 7.342 186 HG22 VAL 23 1HG2 VAL 23 11.227 0.314 6.397 187 HG23 VAL 23 2HG2 VAL 23 10.098 1.420 5.578 188 H CYS 24 H CYS 24 7.282 2.583 5.977 189 HA CYS 24 HA CYS 24 5.704 2.507 3.646 190 HB2 CYS 24 1HB CYS 24 5.434 4.135 5.502 191 HB3 CYS 24 2HB CYS 24 6.920 4.939 4.961 192 H LEU 25 H LEU 25 6.860 1.752 1.792 193 HA LEU 25 HA LEU 25 9.353 2.619 0.909 194 HB2 LEU 25 1HB LEU 25 6.884 1.737 -0.493 195 HB3 LEU 25 2HB LEU 25 8.345 2.290 -1.397 196 HG LEU 25 HG LEU 25 8.336 -0.157 -1.342 197 HD11 LEU 25 1HD1 LEU 25 10.422 -0.629 -0.419 198 HD12 LEU 25 2HD1 LEU 25 10.426 0.882 -1.359 199 HD13 LEU 25 3HD1 LEU 25 10.444 0.939 0.419 200 HD21 LEU 25 3HD2 LEU 25 6.886 -0.512 0.600 201 HD22 LEU 25 1HD2 LEU 25 8.409 -1.430 0.678 202 HD23 LEU 25 2HD2 LEU 25 8.203 0.039 1.662 203 H GLU 26 H GLU 26 10.090 4.327 -0.358 204 HA GLU 26 HA GLU 26 10.398 6.586 -0.888 205 HB2 GLU 26 1HB GLU 26 8.457 5.823 -2.490 206 HB3 GLU 26 2HB GLU 26 7.475 6.842 -1.500 207 HG2 GLU 26 1HG GLU 26 8.868 8.761 -1.963 208 HG3 GLU 26 2HG GLU 26 10.022 7.750 -2.842 209 H CYS 27 H CYS 27 9.333 5.761 2.027 210 HA CYS 27 HA CYS 27 9.201 8.582 2.809 211 HB2 CYS 27 1HB CYS 27 6.999 6.787 3.017 212 HB3 CYS 27 2HB CYS 27 7.606 7.132 4.648 213 H GLY 28 H GLY 28 9.428 5.066 4.057 214 HA2 GLY 28 1HA GLY 28 11.454 4.308 5.122 215 HA3 GLY 28 2HA GLY 28 11.752 5.901 5.748 216 H GLY 29 H GLY 29 9.335 6.652 6.929 217 HA2 GLY 29 1HA GLY 29 9.203 5.401 9.412 218 HA3 GLY 29 2HA GLY 29 7.880 6.281 8.699 219 H SER 30 H SER 30 7.814 3.960 10.461 220 HA SER 30 HA SER 30 6.558 1.895 8.686 221 HB2 SER 30 1HB SER 30 8.843 1.275 9.580 222 HB3 SER 30 2HB SER 30 8.115 1.310 11.197 223 HG SER 30 HG SER 30 8.102 -0.797 10.129 224 H PHE 31 H PHE 31 4.874 0.743 9.542 225 HA PHE 31 HA PHE 31 3.494 1.484 11.982 226 HB2 PHE 31 1HB PHE 31 1.495 2.369 10.638 227 HB3 PHE 31 2HB PHE 31 2.883 3.462 10.965 228 HD1 PHE 31 HD1 PHE 31 2.679 0.886 8.166 229 HD2 PHE 31 HD2 PHE 31 2.550 5.023 9.319 230 HE1 PHE 31 HE1 PHE 31 3.607 1.535 5.990 231 HE2 PHE 31 HE2 PHE 31 3.271 5.657 7.055 232 HZ PHE 31 HZ PHE 31 3.373 3.906 5.268 233 H LYS 32 H LYS 32 1.268 0.511 12.127 234 HA LYS 32 HA LYS 32 1.042 -2.129 11.286 235 HB2 LYS 32 1HB LYS 32 -1.268 -2.008 12.024 236 HB3 LYS 32 2HB LYS 32 -0.056 -1.393 13.201 237 HG2 LYS 32 1HG LYS 32 -1.648 0.545 11.479 238 HG3 LYS 32 2HG LYS 32 -2.331 -0.094 12.949 239 HD2 LYS 32 1HD LYS 32 -1.036 1.249 14.253 240 HD3 LYS 32 2HD LYS 32 0.418 0.930 13.341 241 HE2 LYS 32 1HE LYS 32 -0.049 3.256 13.038 242 HE3 LYS 32 2HE LYS 32 -0.525 2.527 11.532 243 HZ1 LYS 32 3HZ LYS 32 -2.313 3.233 13.731 244 HZ2 LYS 32 1HZ LYS 32 -2.086 4.063 12.286 245 HZ3 LYS 32 2HZ LYS 32 -2.773 2.528 12.275 246 H SER 33 H SER 33 -0.196 0.786 9.600 247 HA SER 33 HA SER 33 -1.241 -0.910 7.371 248 HB2 SER 33 1HB SER 33 -3.177 -0.314 8.769 249 HB3 SER 33 2HB SER 33 -2.749 1.388 8.647 250 HG SER 33 HG SER 33 -4.370 0.454 7.116 251 H LEU 34 H LEU 34 0.176 -0.473 5.817 252 HA LEU 34 HA LEU 34 1.268 2.151 5.245 253 HB2 LEU 34 1HB LEU 34 2.254 -0.111 4.765 254 HB3 LEU 34 2HB LEU 34 1.117 -0.164 3.378 255 HG LEU 34 HG LEU 34 2.893 2.251 3.659 256 HD11 LEU 34 1HD1 LEU 34 4.668 1.049 2.438 257 HD12 LEU 34 2HD1 LEU 34 4.392 0.283 4.020 258 HD13 LEU 34 3HD1 LEU 34 3.737 -0.464 2.544 259 HD21 LEU 34 3HD2 LEU 34 1.198 2.118 1.879 260 HD22 LEU 34 1HD2 LEU 34 2.856 2.120 1.233 261 HD23 LEU 34 2HD2 LEU 34 1.931 0.601 1.306 262 H LYS 35 H LYS 35 -1.473 0.211 3.951 263 HA LYS 35 HA LYS 35 -2.190 1.510 1.720 264 HB2 LYS 35 1HB LYS 35 -3.307 -0.507 2.835 265 HB3 LYS 35 2HB LYS 35 -4.289 0.647 3.734 266 HG2 LYS 35 1HG LYS 35 -4.954 1.661 1.422 267 HG3 LYS 35 2HG LYS 35 -4.222 0.264 0.697 268 HD2 LYS 35 1HD LYS 35 -6.355 -0.535 0.873 269 HD3 LYS 35 2HD LYS 35 -5.850 -1.010 2.468 270 HE2 LYS 35 1HE LYS 35 -7.944 0.101 2.705 271 HE3 LYS 35 2HE LYS 35 -6.756 1.231 3.316 272 HZ1 LYS 35 3HZ LYS 35 -7.939 1.270 0.634 273 HZ2 LYS 35 1HZ LYS 35 -8.322 2.274 1.928 274 HZ3 LYS 35 2HZ LYS 35 -6.798 2.356 1.221 275 H ARG 36 H ARG 36 -3.460 2.568 4.966 276 HA ARG 36 HA ARG 36 -5.062 4.712 4.005 277 HB2 ARG 36 1HB ARG 36 -4.844 3.465 6.334 278 HB3 ARG 36 2HB ARG 36 -3.891 4.922 6.690 279 HG2 ARG 36 1HG ARG 36 -5.793 6.347 5.863 280 HG3 ARG 36 2HG ARG 36 -6.735 4.905 5.535 281 HD2 ARG 36 1HD ARG 36 -6.497 4.297 7.969 282 HD3 ARG 36 2HD ARG 36 -5.784 5.918 8.211 283 HE ARG 36 HE ARG 36 -8.294 5.971 6.702 284 HH11 ARG 36 1HH1 ARG 36 -6.934 6.311 9.968 285 HH12 ARG 36 2HH1 ARG 36 -8.427 6.901 10.622 286 HH21 ARG 36 1HH2 ARG 36 -10.154 6.815 7.631 287 HH22 ARG 36 2HH2 ARG 36 -10.196 7.192 9.317 288 H HIS 37 H HIS 37 -2.072 5.188 5.884 289 HA HIS 37 HA HIS 37 -1.175 7.574 5.311 290 HB2 HIS 37 1HB HIS 37 0.054 6.215 6.726 291 HB3 HIS 37 2HB HIS 37 0.446 5.064 5.410 292 HD1 HIS 37 HD1 HIS 37 1.330 8.502 6.768 293 HD2 HIS 37 HD2 HIS 37 2.617 5.763 3.822 294 HE1 HIS 37 HE1 HIS 37 3.589 9.353 5.889 295 H LEU 38 H LEU 38 -0.602 4.769 3.102 296 HA LEU 38 HA LEU 38 0.731 5.984 1.002 297 HB2 LEU 38 1HB LEU 38 0.143 3.568 1.559 298 HB3 LEU 38 2HB LEU 38 -1.338 3.890 0.591 299 HG LEU 38 HG LEU 38 0.588 2.757 -0.631 300 HD11 LEU 38 1HD1 LEU 38 0.260 3.972 -2.658 301 HD12 LEU 38 2HD1 LEU 38 -1.265 3.684 -1.786 302 HD13 LEU 38 3HD1 LEU 38 -0.512 5.297 -1.757 303 HD21 LEU 38 3HD2 LEU 38 2.424 4.087 0.351 304 HD22 LEU 38 1HD2 LEU 38 2.389 4.217 -1.423 305 HD23 LEU 38 2HD2 LEU 38 1.769 5.550 -0.420 306 H THR 39 H THR 39 -2.821 5.284 0.945 307 HA THR 39 HA THR 39 -3.571 6.924 -1.247 308 HB THR 39 HB THR 39 -5.304 5.985 1.039 309 HG1 THR 39 HG1 THR 39 -4.292 4.721 -1.363 310 HG21 THR 39 3HG2 THR 39 -5.860 6.518 -1.875 311 HG22 THR 39 1HG2 THR 39 -6.993 5.898 -0.649 312 HG23 THR 39 2HG2 THR 39 -6.357 7.555 -0.517 313 H THR 40 H THR 40 -3.419 7.850 2.251 314 HA THR 40 HA THR 40 -4.344 10.459 1.971 315 HB THR 40 HB THR 40 -2.384 9.319 3.960 316 HG1 THR 40 HG1 THR 40 -4.412 9.069 5.192 317 HG21 THR 40 3HG2 THR 40 -4.229 11.722 4.209 318 HG22 THR 40 1HG2 THR 40 -3.243 11.019 5.513 319 HG23 THR 40 2HG2 THR 40 -2.453 11.774 4.108 320 H HIS 41 H HIS 41 -0.850 9.460 2.120 321 HA HIS 41 HA HIS 41 -0.039 12.248 1.655 322 HB2 HIS 41 1HB HIS 41 1.335 9.857 2.803 323 HB3 HIS 41 2HB HIS 41 2.294 11.141 2.132 324 HD1 HIS 41 HD1 HIS 41 -0.800 12.459 3.711 325 HD2 HIS 41 HD2 HIS 41 3.102 11.467 4.663 326 HE1 HIS 41 HE1 HIS 41 -0.352 13.486 6.014 327 H HIS 42 H HIS 42 1.747 9.409 0.496 328 HA HIS 42 HA HIS 42 2.392 10.213 -2.044 329 HB2 HIS 42 1HB HIS 42 1.815 7.358 -1.494 330 HB3 HIS 42 2HB HIS 42 3.147 8.134 -2.407 331 HD1 HIS 42 HD1 HIS 42 5.290 8.684 -1.176 332 HD2 HIS 42 HD2 HIS 42 2.154 7.421 1.355 333 HE1 HIS 42 HE1 HIS 42 6.308 8.326 1.154 334 H SER 43 H SER 43 -0.807 9.025 -0.892 335 HA SER 43 HA SER 43 -2.873 9.115 -1.868 336 HB2 SER 43 1HB SER 43 -1.675 10.223 -4.397 337 HB3 SER 43 2HB SER 43 -3.375 10.096 -3.975 338 HG SER 43 HG SER 43 -1.349 11.692 -2.726 339 H MET 44 H MET 44 -3.804 8.120 -4.256 340 HA MET 44 HA MET 44 -3.982 6.428 -5.737 341 HB2 MET 44 1HB MET 44 -1.118 5.758 -5.133 342 HB3 MET 44 2HB MET 44 -2.129 5.075 -6.445 343 HG2 MET 44 1HG MET 44 -2.253 7.319 -7.518 344 HG3 MET 44 2HG MET 44 -1.359 8.036 -6.216 345 HE1 MET 44 3HE MET 44 0.942 5.898 -5.611 346 HE2 MET 44 1HE MET 44 2.216 6.501 -6.697 347 HE3 MET 44 2HE MET 44 1.223 7.649 -5.767 348 H THR 45 H THR 45 -4.004 4.050 -6.029 349 HA THR 45 HA THR 45 -5.023 2.674 -3.664 350 HB THR 45 HB THR 45 -5.618 0.867 -5.103 351 HG1 THR 45 HG1 THR 45 -5.104 1.065 -7.390 352 HG21 THR 45 3HG2 THR 45 -6.120 3.478 -6.543 353 HG22 THR 45 1HG2 THR 45 -7.018 1.953 -6.738 354 HG23 THR 45 2HG2 THR 45 -7.086 2.834 -5.193 355 HA PRO 46 HA PRO 46 -1.372 0.613 -2.299 356 HB2 PRO 46 1HB PRO 46 -2.301 -1.847 -1.748 357 HB3 PRO 46 2HB PRO 46 -2.465 -0.364 -0.687 358 HG2 PRO 46 1HG PRO 46 -4.545 -1.587 -2.622 359 HG3 PRO 46 2HG PRO 46 -4.834 -1.047 -0.972 360 HD2 PRO 46 1HD PRO 46 -5.375 0.649 -3.016 361 HD3 PRO 46 2HD PRO 46 -4.609 1.287 -1.561 362 H GLU 47 H GLU 47 -3.370 -1.556 -4.475 363 HA GLU 47 HA GLU 47 -1.199 -2.944 -5.547 364 HB2 GLU 47 1HB GLU 47 -4.000 -2.772 -6.121 365 HB3 GLU 47 2HB GLU 47 -3.007 -2.976 -7.580 366 HG2 GLU 47 1HG GLU 47 -1.740 -4.849 -6.187 367 HG3 GLU 47 2HG GLU 47 -3.093 -4.799 -5.111 368 H GLU 48 H GLU 48 -2.680 0.152 -6.867 369 HA GLU 48 HA GLU 48 -1.020 0.256 -9.199 370 HB2 GLU 48 1HB GLU 48 -3.081 1.804 -8.168 371 HB3 GLU 48 2HB GLU 48 -1.681 2.861 -8.140 372 HG2 GLU 48 1HG GLU 48 -2.843 3.003 -10.314 373 HG3 GLU 48 2HG GLU 48 -1.241 2.337 -10.548 374 H TYR 49 H TYR 49 -0.608 1.428 -5.875 375 HA TYR 49 HA TYR 49 2.043 2.627 -6.106 376 HB2 TYR 49 1HB TYR 49 0.486 2.920 -4.222 377 HB3 TYR 49 2HB TYR 49 0.740 1.240 -3.765 378 HD1 TYR 49 HD1 TYR 49 2.455 4.504 -4.261 379 HD2 TYR 49 HD2 TYR 49 2.643 0.554 -2.596 380 HE1 TYR 49 HE1 TYR 49 4.524 5.120 -3.067 381 HE2 TYR 49 HE2 TYR 49 4.698 1.163 -1.357 382 HH TYR 49 HH TYR 49 5.485 4.627 -1.036 383 H ARG 50 H ARG 50 1.212 -0.879 -5.375 384 HA ARG 50 HA ARG 50 3.846 -1.805 -5.132 385 HB2 ARG 50 1HB ARG 50 3.173 -3.763 -5.096 386 HB3 ARG 50 2HB ARG 50 1.610 -2.908 -4.794 387 HG2 ARG 50 1HG ARG 50 1.037 -4.723 -6.176 388 HG3 ARG 50 2HG ARG 50 1.131 -3.380 -7.293 389 HD2 ARG 50 1HD ARG 50 3.335 -4.093 -8.069 390 HD3 ARG 50 2HD ARG 50 3.434 -5.322 -6.824 391 HE ARG 50 HE ARG 50 2.161 -6.716 -8.076 392 HH11 ARG 50 1HH1 ARG 50 2.014 -3.563 -9.673 393 HH12 ARG 50 2HH1 ARG 50 0.931 -4.130 -10.904 394 HH21 ARG 50 1HH2 ARG 50 0.888 -7.403 -9.772 395 HH22 ARG 50 2HH2 ARG 50 0.341 -6.278 -10.965 396 H GLU 51 H GLU 51 2.143 -0.967 -8.188 397 HA GLU 51 HA GLU 51 3.967 -2.136 -10.061 398 HB2 GLU 51 1HB GLU 51 2.770 -1.406 -11.587 399 HB3 GLU 51 2HB GLU 51 1.600 -1.125 -10.248 400 HG2 GLU 51 1HG GLU 51 2.467 1.256 -10.218 401 HG3 GLU 51 2HG GLU 51 3.240 0.870 -11.789 402 H LYS 52 H LYS 52 4.117 1.163 -8.511 403 HA LYS 52 HA LYS 52 6.323 2.130 -10.107 404 HB2 LYS 52 1HB LYS 52 6.542 3.860 -8.618 405 HB3 LYS 52 2HB LYS 52 4.819 3.596 -9.039 406 HG2 LYS 52 1HG LYS 52 4.543 2.417 -6.871 407 HG3 LYS 52 2HG LYS 52 6.223 2.901 -6.455 408 HD2 LYS 52 1HD LYS 52 4.129 4.938 -7.144 409 HD3 LYS 52 2HD LYS 52 4.266 4.248 -5.496 410 HE2 LYS 52 1HE LYS 52 5.727 5.940 -5.108 411 HE3 LYS 52 2HE LYS 52 6.876 5.011 -6.073 412 HZ1 LYS 52 3HZ LYS 52 5.026 7.055 -7.095 413 HZ2 LYS 52 1HZ LYS 52 6.678 7.236 -6.839 414 HZ3 LYS 52 2HZ LYS 52 6.121 6.170 -8.015 415 H TRP 53 H TRP 53 6.210 0.374 -6.983 416 HA TRP 53 HA TRP 53 9.078 0.184 -6.816 417 HB2 TRP 53 1HB TRP 53 6.745 -0.889 -5.177 418 HB3 TRP 53 2HB TRP 53 8.416 -1.257 -4.786 419 HD1 TRP 53 HD1 TRP 53 5.840 1.439 -4.431 420 HE1 TRP 53 HE1 TRP 53 6.873 3.535 -3.450 421 HE3 TRP 53 HE3 TRP 53 10.660 -0.034 -4.524 422 HZ2 TRP 53 HZ2 TRP 53 9.512 4.539 -3.069 423 HZ3 TRP 53 HZ3 TRP 53 12.420 1.440 -3.586 424 HH2 TRP 53 HH2 TRP 53 11.839 3.750 -2.876 425 H ASP 54 H ASP 54 7.050 -1.468 -8.848 426 HA ASP 54 HA ASP 54 6.941 -3.542 -9.886 427 HB2 ASP 54 1HB ASP 54 9.820 -3.823 -9.168 428 HB3 ASP 54 2HB ASP 54 8.920 -4.420 -10.598 429 H LEU 55 H LEU 55 6.138 -3.595 -7.075 430 HA LEU 55 HA LEU 55 7.630 -5.423 -5.524 431 HB2 LEU 55 1HB LEU 55 5.582 -3.569 -5.081 432 HB3 LEU 55 2HB LEU 55 4.965 -5.091 -4.513 433 HG LEU 55 HG LEU 55 6.968 -5.434 -3.151 434 HD11 LEU 55 1HD1 LEU 55 8.587 -3.642 -2.809 435 HD12 LEU 55 2HD1 LEU 55 8.644 -4.249 -4.482 436 HD13 LEU 55 3HD1 LEU 55 7.843 -2.701 -4.124 437 HD21 LEU 55 3HD2 LEU 55 5.001 -4.227 -2.255 438 HD22 LEU 55 1HD2 LEU 55 6.512 -3.585 -1.570 439 HD23 LEU 55 2HD2 LEU 55 5.670 -2.691 -2.858 440 HA PRO 56 HA PRO 56 6.332 -9.264 -7.496 441 HB2 PRO 56 1HB PRO 56 7.672 -10.938 -5.843 442 HB3 PRO 56 2HB PRO 56 8.488 -10.029 -7.112 443 HG2 PRO 56 1HG PRO 56 8.248 -9.328 -4.144 444 HG3 PRO 56 2HG PRO 56 9.694 -9.312 -5.147 445 HD2 PRO 56 1HD PRO 56 8.224 -6.972 -4.727 446 HD3 PRO 56 2HD PRO 56 8.939 -7.300 -6.378 447 H VAL 57 H VAL 57 5.048 -10.987 -7.082 448 HA VAL 57 HA VAL 57 3.045 -11.813 -6.504 449 HB VAL 57 HB VAL 57 4.725 -12.767 -4.985 450 HG11 VAL 57 1HG1 VAL 57 4.332 -12.577 -2.581 451 HG12 VAL 57 2HG1 VAL 57 4.938 -11.045 -3.255 452 HG13 VAL 57 3HG1 VAL 57 3.211 -11.221 -2.859 453 HG21 VAL 57 3HG2 VAL 57 2.793 -13.870 -5.636 454 HG22 VAL 57 1HG2 VAL 57 3.079 -14.128 -3.899 455 HG23 VAL 57 2HG2 VAL 57 1.813 -12.997 -4.435 456 H ASP 58 H ASP 58 3.237 -8.779 -6.541 457 HA ASP 58 HA ASP 58 2.131 -6.902 -6.107 458 HB2 ASP 58 1HB ASP 58 -0.201 -6.851 -6.123 459 HB3 ASP 58 2HB ASP 58 0.494 -7.916 -7.387 460 H TYR 59 H TYR 59 3.446 -8.093 -3.893 461 HA TYR 59 HA TYR 59 2.663 -8.509 -1.453 462 HB2 TYR 59 1HB TYR 59 4.957 -8.045 -1.918 463 HB3 TYR 59 2HB TYR 59 4.651 -6.358 -2.220 464 HD1 TYR 59 HD1 TYR 59 4.811 -8.958 0.426 465 HD2 TYR 59 HD2 TYR 59 4.241 -4.805 -0.488 466 HE1 TYR 59 HE1 TYR 59 4.836 -8.424 2.832 467 HE2 TYR 59 HE2 TYR 59 4.483 -4.232 1.889 468 HH TYR 59 HH TYR 59 4.899 -6.756 4.367 469 HA PRO 60 HA PRO 60 -0.618 -5.783 -0.301 470 HB2 PRO 60 1HB PRO 60 -1.114 -6.768 2.210 471 HB3 PRO 60 2HB PRO 60 -1.596 -7.630 0.750 472 HG2 PRO 60 1HG PRO 60 0.914 -8.046 2.449 473 HG3 PRO 60 2HG PRO 60 -0.197 -9.268 1.838 474 HD2 PRO 60 1HD PRO 60 2.157 -8.612 0.456 475 HD3 PRO 60 2HD PRO 60 0.633 -9.024 -0.466 476 H MET 61 H MET 61 -0.777 -3.843 0.523 477 HA MET 61 HA MET 61 1.394 -2.680 2.031 478 HB2 MET 61 1HB MET 61 -1.135 -1.409 0.902 479 HB3 MET 61 2HB MET 61 0.221 -0.545 1.560 480 HG2 MET 61 1HG MET 61 0.219 -2.331 -0.855 481 HG3 MET 61 2HG MET 61 0.354 -0.543 -0.783 482 HE1 MET 61 3HE MET 61 2.250 -1.398 -2.613 483 HE2 MET 61 1HE MET 61 3.707 -2.303 -2.135 484 HE3 MET 61 2HE MET 61 2.112 -3.094 -2.091 485 H VAL 62 H VAL 62 0.136 -4.589 3.702 486 HA VAL 62 HA VAL 62 -0.892 -2.936 5.858 487 HB VAL 62 HB VAL 62 -2.549 -5.389 5.258 488 HG11 VAL 62 1HG1 VAL 62 -4.192 -4.122 6.613 489 HG12 VAL 62 2HG1 VAL 62 -2.654 -4.311 7.489 490 HG13 VAL 62 3HG1 VAL 62 -3.054 -2.757 6.718 491 HG21 VAL 62 3HG2 VAL 62 -2.854 -4.154 3.223 492 HG22 VAL 62 1HG2 VAL 62 -4.312 -4.123 4.245 493 HG23 VAL 62 2HG2 VAL 62 -3.260 -2.690 4.152 494 H ALA 63 H ALA 63 -0.506 -4.057 7.926 495 HA ALA 63 HA ALA 63 1.611 -5.696 8.431 496 HB1 ALA 63 3HB ALA 63 -1.086 -5.712 9.803 497 HB2 ALA 63 1HB ALA 63 0.463 -6.259 10.491 498 HB3 ALA 63 2HB ALA 63 0.225 -4.542 10.086 499 HA PRO 64 HA PRO 64 1.553 -9.400 6.475 500 HB2 PRO 64 1HB PRO 64 2.416 -11.267 8.332 501 HB3 PRO 64 2HB PRO 64 3.477 -10.111 7.527 502 HG2 PRO 64 1HG PRO 64 2.150 -9.869 10.272 503 HG3 PRO 64 2HG PRO 64 3.826 -9.542 9.843 504 HD2 PRO 64 1HD PRO 64 1.972 -7.462 9.951 505 HD3 PRO 64 2HD PRO 64 3.198 -7.483 8.592 506 H ALA 65 H ALA 65 -0.006 -9.990 9.691 507 HA ALA 65 HA ALA 65 -2.203 -11.447 8.267 508 HB1 ALA 65 3HB ALA 65 -0.924 -12.076 10.915 509 HB2 ALA 65 1HB ALA 65 -2.345 -12.875 10.202 510 HB3 ALA 65 2HB ALA 65 -0.761 -12.999 9.402 511 H TYR 66 H TYR 66 -2.359 -8.726 8.468 512 HA TYR 66 HA TYR 66 -3.524 -7.587 10.866 513 HB2 TYR 66 1HB TYR 66 -2.637 -6.286 8.930 514 HB3 TYR 66 2HB TYR 66 -4.059 -6.705 8.031 515 HD1 TYR 66 HD1 TYR 66 -2.813 -4.932 11.021 516 HD2 TYR 66 HD2 TYR 66 -6.181 -5.693 8.464 517 HE1 TYR 66 HE1 TYR 66 -3.942 -2.927 11.913 518 HE2 TYR 66 HE2 TYR 66 -7.325 -3.713 9.364 519 HH TYR 66 HH TYR 66 -7.229 -2.024 10.862 520 H ALA 67 H ALA 67 -5.488 -8.226 7.968 521 HA ALA 67 HA ALA 67 -7.485 -9.975 9.107 522 HB1 ALA 67 3HB ALA 67 -8.230 -7.055 8.961 523 HB2 ALA 67 1HB ALA 67 -9.326 -8.427 9.255 524 HB3 ALA 67 2HB ALA 67 -8.061 -8.027 10.443 525 H GLU 68 H GLU 68 -6.027 -10.114 6.641 526 HA GLU 68 HA GLU 68 -7.867 -9.928 4.529 527 HB2 GLU 68 1HB GLU 68 -6.868 -7.307 5.251 528 HB3 GLU 68 2HB GLU 68 -6.020 -7.755 3.810 529 HG2 GLU 68 1HG GLU 68 -7.971 -6.630 3.070 530 HG3 GLU 68 2HG GLU 68 -8.347 -8.293 2.780 531 H ALA 69 H ALA 69 -6.551 -9.810 2.334 532 HA ALA 69 HA ALA 69 -5.065 -10.660 0.910 533 HB1 ALA 69 3HB ALA 69 -3.128 -9.803 3.024 534 HB2 ALA 69 1HB ALA 69 -2.717 -10.243 1.350 535 HB3 ALA 69 2HB ALA 69 -3.777 -8.850 1.668 536 H ARG 70 H ARG 70 -6.321 -12.701 2.398 537 HA ARG 70 HA ARG 70 -4.663 -14.790 3.429 538 HB2 ARG 70 1HB ARG 70 -7.463 -14.624 2.340 539 HB3 ARG 70 2HB ARG 70 -6.729 -16.144 2.832 540 HG2 ARG 70 1HG ARG 70 -6.371 -15.306 5.097 541 HG3 ARG 70 2HG ARG 70 -6.913 -13.692 4.629 542 HD2 ARG 70 1HD ARG 70 -9.179 -14.457 4.279 543 HD3 ARG 70 2HD ARG 70 -8.699 -16.148 4.354 544 HE ARG 70 HE ARG 70 -8.897 -16.082 6.608 545 HH11 ARG 70 1HH1 ARG 70 -8.606 -12.659 5.658 546 HH12 ARG 70 2HH1 ARG 70 -8.705 -12.120 7.303 547 HH21 ARG 70 1HH2 ARG 70 -9.119 -15.272 8.653 548 HH22 ARG 70 2HH2 ARG 70 -8.991 -13.575 8.956 549 H SER 71 H SER 71 -2.934 -15.198 2.285 550 HA SER 71 HA SER 71 -1.569 -16.429 0.867 551 HB2 SER 71 1HB SER 71 -3.024 -18.221 1.697 552 HB3 SER 71 2HB SER 71 -4.009 -18.028 0.238 553 HG SER 71 HG SER 71 -2.554 -19.085 -0.856 554 H ARG 72 H ARG 72 -0.950 -14.829 -0.499 555 HA ARG 72 HA ARG 72 -0.787 -13.468 -2.381 556 HB2 ARG 72 1HB ARG 72 -0.364 -15.808 -3.118 557 HB3 ARG 72 2HB ARG 72 -2.031 -15.785 -3.780 558 HG2 ARG 72 1HG ARG 72 -1.361 -13.785 -5.185 559 HG3 ARG 72 2HG ARG 72 0.283 -13.972 -4.618 560 HD2 ARG 72 1HD ARG 72 0.088 -15.042 -6.762 561 HD3 ARG 72 2HD ARG 72 0.284 -16.316 -5.559 562 HE ARG 72 HE ARG 72 -1.866 -17.067 -5.955 563 HH11 ARG 72 1HH1 ARG 72 -1.731 -13.804 -7.339 564 HH12 ARG 72 2HH1 ARG 72 -3.085 -14.085 -8.384 565 HH21 ARG 72 1HH2 ARG 72 -3.772 -17.225 -7.101 566 HH22 ARG 72 2HH2 ARG 72 -4.233 -15.990 -8.223 567 H LEU 73 H LEU 73 -3.266 -13.190 -0.781 568 HA LEU 73 HA LEU 73 -5.283 -12.226 -0.724 569 HB2 LEU 73 1HB LEU 73 -5.547 -10.303 -1.620 570 HB3 LEU 73 2HB LEU 73 -3.818 -10.544 -2.052 571 HG LEU 73 HG LEU 73 -5.427 -11.544 -4.214 572 HD11 LEU 73 1HD1 LEU 73 -6.618 -9.529 -4.855 573 HD12 LEU 73 2HD1 LEU 73 -7.249 -10.184 -3.326 574 HD13 LEU 73 3HD1 LEU 73 -6.183 -8.759 -3.312 575 HD21 LEU 73 3HD2 LEU 73 -3.136 -10.664 -4.379 576 HD22 LEU 73 1HD2 LEU 73 -4.263 -9.820 -5.468 577 HD23 LEU 73 2HD2 LEU 73 -3.737 -9.043 -3.955 578 H ALA 74 H ALA 74 -7.462 -12.213 -1.464 579 HA ALA 74 HA ALA 74 -8.122 -13.735 -3.905 580 HB1 ALA 74 3HB ALA 74 -9.361 -14.175 -1.170 581 HB2 ALA 74 1HB ALA 74 -9.925 -14.889 -2.700 582 HB3 ALA 74 2HB ALA 74 -8.323 -15.319 -2.054 583 H LYS 75 H LYS 75 -8.900 -12.134 -5.077 584 HA LYS 75 HA LYS 75 -10.149 -10.275 -5.823 585 HB2 LYS 75 1HB LYS 75 -11.537 -12.208 -5.984 586 HB3 LYS 75 2HB LYS 75 -12.170 -11.890 -4.336 587 HG2 LYS 75 1HG LYS 75 -12.505 -9.507 -5.835 588 HG3 LYS 75 2HG LYS 75 -13.066 -10.854 -6.857 589 HD2 LYS 75 1HD LYS 75 -14.572 -11.647 -5.054 590 HD3 LYS 75 2HD LYS 75 -13.928 -10.468 -3.931 591 HE2 LYS 75 1HE LYS 75 -14.804 -8.639 -5.375 592 HE3 LYS 75 2HE LYS 75 -15.512 -9.862 -6.443 593 HZ1 LYS 75 3HZ LYS 75 -16.083 -9.542 -3.569 594 HZ2 LYS 75 1HZ LYS 75 -17.080 -9.072 -4.838 595 HZ3 LYS 75 2HZ LYS 75 -16.756 -10.702 -4.582 596 H GLU 76 H GLU 76 -8.784 -8.866 -4.372 597 HA GLU 76 HA GLU 76 -10.548 -7.059 -2.909 598 HB2 GLU 76 1HB GLU 76 -9.006 -9.066 -1.503 599 HB3 GLU 76 2HB GLU 76 -8.560 -7.435 -1.002 600 HG2 GLU 76 1HG GLU 76 -10.738 -6.892 -0.354 601 HG3 GLU 76 2HG GLU 76 -11.450 -8.239 -1.300 602 H MET 77 H MET 77 -9.277 -6.388 -5.237 603 HA MET 77 HA MET 77 -6.801 -5.041 -4.906 604 HB2 MET 77 1HB MET 77 -7.340 -3.909 -6.967 605 HB3 MET 77 2HB MET 77 -7.590 -5.683 -7.058 606 HG2 MET 77 1HG MET 77 -10.016 -4.230 -6.343 607 HG3 MET 77 2HG MET 77 -9.334 -3.722 -7.920 608 HE1 MET 77 3HE MET 77 -8.263 -5.947 -9.465 609 HE2 MET 77 1HE MET 77 -9.689 -6.724 -10.193 610 HE3 MET 77 2HE MET 77 -9.616 -4.951 -10.052 611 H GLY 78 H GLY 78 -9.871 -4.235 -3.566 612 HA2 GLY 78 1HA GLY 78 -10.852 -2.369 -2.721 613 HA3 GLY 78 2HA GLY 78 -9.310 -1.529 -2.839 614 H LEU 79 H LEU 79 -10.730 0.245 -3.348 615 HA LEU 79 HA LEU 79 -11.212 0.523 -6.308 616 HB2 LEU 79 1HB LEU 79 -12.881 1.372 -4.037 617 HB3 LEU 79 2HB LEU 79 -12.758 2.379 -5.525 618 HG LEU 79 HG LEU 79 -14.743 1.027 -5.783 619 HD11 LEU 79 1HD1 LEU 79 -14.351 -0.238 -7.703 620 HD12 LEU 79 2HD1 LEU 79 -13.544 1.349 -7.755 621 HD13 LEU 79 3HD1 LEU 79 -12.592 -0.125 -7.455 622 HD21 LEU 79 3HD2 LEU 79 -14.296 -0.635 -4.036 623 HD22 LEU 79 1HD2 LEU 79 -14.787 -1.363 -5.584 624 HD23 LEU 79 2HD2 LEU 79 -13.078 -1.393 -5.090 625 H GLY 80 H GLY 80 -10.731 2.588 -3.351 626 HA2 GLY 80 1HA GLY 80 -9.391 4.419 -2.957 627 HA3 GLY 80 2HA GLY 80 -8.343 3.909 -4.245 628 H GLN 81 H GLN 81 -11.623 5.292 -3.805 629 HA GLN 81 HA GLN 81 -11.535 6.816 -6.345 630 HB2 GLN 81 1HB GLN 81 -13.750 7.354 -5.861 631 HB3 GLN 81 2HB GLN 81 -13.396 5.600 -6.043 632 HG2 GLN 81 1HG GLN 81 -14.748 5.372 -4.202 633 HG3 GLN 81 2HG GLN 81 -13.375 5.919 -3.284 634 HE21 GLN 81 1HE2 GLN 81 -16.365 6.965 -4.875 635 HE22 GLN 81 2HE2 GLN 81 -16.552 8.358 -3.844 636 H ARG 82 H ARG 82 -9.480 7.697 -5.024 637 HA ARG 82 HA ARG 82 -9.941 9.962 -3.228 638 HB2 ARG 82 1HB ARG 82 -7.829 8.212 -4.136 639 HB3 ARG 82 2HB ARG 82 -7.367 9.911 -4.461 640 HG2 ARG 82 1HG ARG 82 -8.337 9.080 -1.690 641 HG3 ARG 82 2HG ARG 82 -6.675 8.865 -2.137 642 HD2 ARG 82 1HD ARG 82 -6.537 10.937 -1.221 643 HD3 ARG 82 2HD ARG 82 -6.910 11.446 -2.857 644 HE ARG 82 HE ARG 82 -9.349 10.997 -1.413 645 HH11 ARG 82 1HH1 ARG 82 -6.591 13.225 -1.291 646 HH12 ARG 82 2HH1 ARG 82 -7.586 14.602 -0.938 647 HH21 ARG 82 1HH2 ARG 82 -10.489 12.778 -0.559 648 HH22 ARG 82 2HH2 ARG 82 -9.751 14.339 -0.534 649 H ARG 83 H ARG 83 -9.833 12.118 -3.720 650 HA ARG 83 HA ARG 83 -10.194 12.886 -6.485 651 HB2 ARG 83 1HB ARG 83 -10.813 15.050 -5.626 652 HB3 ARG 83 2HB ARG 83 -11.541 13.866 -4.596 653 HG2 ARG 83 1HG ARG 83 -9.705 14.219 -2.917 654 HG3 ARG 83 2HG ARG 83 -9.026 15.444 -3.945 655 HD2 ARG 83 1HD ARG 83 -11.333 16.509 -3.898 656 HD3 ARG 83 2HD ARG 83 -11.600 15.411 -2.486 657 HE ARG 83 HE ARG 83 -9.000 16.756 -2.416 658 HH11 ARG 83 1HH1 ARG 83 -12.342 17.152 -1.276 659 HH12 ARG 83 2HH1 ARG 83 -11.900 18.406 -0.163 660 HH21 ARG 83 1HH2 ARG 83 -8.525 18.374 -0.977 661 HH22 ARG 83 2HH2 ARG 83 -9.767 19.067 0.008 662 H LYS 84 H LYS 84 -7.506 12.966 -4.212 663 HA LYS 84 HA LYS 84 -5.377 13.856 -4.182 664 HB2 LYS 84 1HB LYS 84 -5.150 12.197 -5.976 665 HB3 LYS 84 2HB LYS 84 -5.471 13.429 -7.153 666 HG2 LYS 84 1HG LYS 84 -3.507 14.704 -6.396 667 HG3 LYS 84 2HG LYS 84 -3.191 13.489 -5.159 668 HD2 LYS 84 1HD LYS 84 -2.848 11.759 -6.897 669 HD3 LYS 84 2HD LYS 84 -3.300 12.881 -8.159 670 HE2 LYS 84 1HE LYS 84 -0.925 13.375 -6.316 671 HE3 LYS 84 2HE LYS 84 -0.807 12.548 -7.852 672 HZ1 LYS 84 3HZ LYS 84 -1.789 15.279 -7.446 673 HZ2 LYS 84 1HZ LYS 84 -0.284 14.817 -8.038 674 HZ3 LYS 84 2HZ LYS 84 -1.675 14.483 -8.923 675 H ALA 85 H ALA 85 -6.187 15.817 -3.292 676 HA ALA 85 HA ALA 85 -5.486 18.171 -4.926 677 HB1 ALA 85 3HB ALA 85 -8.129 17.927 -3.491 678 HB2 ALA 85 1HB ALA 85 -7.458 19.399 -4.229 679 HB3 ALA 85 2HB ALA 85 -7.878 18.003 -5.250 680 H ASN 86 H ASN 86 -3.632 18.288 -3.716 681 HA ASN 86 HA ASN 86 -3.976 19.407 -1.013 682 HB2 ASN 86 1HB ASN 86 -3.045 16.814 -1.274 683 HB3 ASN 86 2HB ASN 86 -1.547 17.655 -1.528 684 HD21 ASN 86 1HD2 ASN 86 -1.689 16.020 0.525 685 HD22 ASN 86 2HD2 ASN 86 -1.843 16.918 2.013 686 H ARG 87 H ARG 87 -2.623 21.175 -0.683 687 HA ARG 87 HA ARG 87 -1.642 23.105 -1.371 688 HB2 ARG 87 1HB ARG 87 0.734 22.928 -1.793 689 HB3 ARG 87 2HB ARG 87 0.049 22.286 -0.263 690 HG2 ARG 87 1HG ARG 87 0.482 20.017 -0.926 691 HG3 ARG 87 2HG ARG 87 0.734 20.448 -2.596 692 HD2 ARG 87 1HD ARG 87 2.543 21.522 -0.442 693 HD3 ARG 87 2HD ARG 87 2.767 19.913 -1.161 694 HE ARG 87 HE ARG 87 2.406 21.845 -3.254 695 HH11 ARG 87 1HH1 ARG 87 4.903 20.960 -0.877 696 HH12 ARG 87 2HH1 ARG 87 6.194 21.509 -1.897 697 HH21 ARG 87 1HH2 ARG 87 4.153 22.499 -4.506 698 HH22 ARG 87 2HH2 ARG 87 5.767 22.378 -3.895 Start of MODEL 5 1 H1 ALA 1 1H ALA 1 19.931 4.578 4.539 2 HA ALA 1 HA ALA 1 19.712 7.380 4.868 3 HB1 ALA 1 3HB ALA 1 22.467 6.294 5.474 4 HB2 ALA 1 1HB ALA 1 22.074 8.005 5.188 5 HB3 ALA 1 2HB ALA 1 21.375 7.153 6.586 6 H VAL 2 H VAL 2 19.503 5.193 2.776 7 HA VAL 2 HA VAL 2 21.475 6.044 0.695 8 HB VAL 2 HB VAL 2 20.691 4.083 -0.535 9 HG11 VAL 2 1HG1 VAL 2 22.214 2.635 0.753 10 HG12 VAL 2 2HG1 VAL 2 22.867 4.285 0.630 11 HG13 VAL 2 3HG1 VAL 2 22.104 3.742 2.143 12 HG21 VAL 2 3HG2 VAL 2 18.653 3.536 0.595 13 HG22 VAL 2 1HG2 VAL 2 19.831 2.206 0.683 14 HG23 VAL 2 2HG2 VAL 2 19.544 3.237 2.106 15 H ASN 3 H ASN 3 20.092 8.157 0.878 16 HA ASN 3 HA ASN 3 17.519 8.239 -0.532 17 HB2 ASN 3 1HB ASN 3 17.713 10.570 -0.272 18 HB3 ASN 3 2HB ASN 3 17.855 9.647 1.257 19 HD21 ASN 3 1HD2 ASN 3 19.347 11.970 -0.843 20 HD22 ASN 3 2HD2 ASN 3 20.727 12.230 0.188 21 H VAL 4 H VAL 4 18.776 6.845 -2.235 22 HA VAL 4 HA VAL 4 20.237 8.151 -4.296 23 HB VAL 4 HB VAL 4 19.834 6.050 -5.561 24 HG11 VAL 4 1HG1 VAL 4 21.336 4.784 -4.088 25 HG12 VAL 4 2HG1 VAL 4 21.833 6.491 -4.172 26 HG13 VAL 4 3HG1 VAL 4 20.967 5.886 -2.740 27 HG21 VAL 4 3HG2 VAL 4 17.744 5.317 -4.657 28 HG22 VAL 4 1HG2 VAL 4 19.033 4.116 -4.403 29 HG23 VAL 4 2HG2 VAL 4 18.481 5.129 -3.047 30 H GLU 5 H GLU 5 18.443 9.923 -4.095 31 HA GLU 5 HA GLU 5 16.858 11.296 -5.082 32 HB2 GLU 5 1HB GLU 5 18.520 10.870 -6.947 33 HB3 GLU 5 2HB GLU 5 17.344 9.791 -7.624 34 HG2 GLU 5 1HG GLU 5 15.703 11.561 -7.774 35 HG3 GLU 5 2HG GLU 5 16.780 12.676 -6.920 36 H LYS 6 H LYS 6 15.438 10.269 -3.547 37 HA LYS 6 HA LYS 6 12.880 9.655 -4.571 38 HB2 LYS 6 1HB LYS 6 14.387 7.276 -3.736 39 HB3 LYS 6 2HB LYS 6 12.684 7.435 -3.246 40 HG2 LYS 6 1HG LYS 6 11.966 7.729 -5.501 41 HG3 LYS 6 2HG LYS 6 13.658 7.915 -6.077 42 HD2 LYS 6 1HD LYS 6 13.988 5.529 -5.352 43 HD3 LYS 6 2HD LYS 6 12.185 5.450 -5.241 44 HE2 LYS 6 1HE LYS 6 12.117 6.373 -7.683 45 HE3 LYS 6 2HE LYS 6 13.832 6.199 -7.773 46 HZ1 LYS 6 3HZ LYS 6 11.920 4.043 -7.372 47 HZ2 LYS 6 1HZ LYS 6 12.733 4.459 -8.784 48 HZ3 LYS 6 2HZ LYS 6 13.590 3.874 -7.460 49 H GLN 7 H GLN 7 14.047 8.206 -1.575 50 HA GLN 7 HA GLN 7 13.998 10.398 0.191 51 HB2 GLN 7 1HB GLN 7 11.406 9.004 -0.040 52 HB3 GLN 7 2HB GLN 7 12.023 9.445 1.585 53 HG2 GLN 7 1HG GLN 7 11.232 11.578 1.254 54 HG3 GLN 7 2HG GLN 7 12.289 11.776 -0.102 55 HE21 GLN 7 1HE2 GLN 7 10.260 13.205 -0.421 56 HE22 GLN 7 2HE2 GLN 7 9.020 12.433 -1.378 57 H LYS 8 H LYS 8 12.469 7.475 1.478 58 HA LYS 8 HA LYS 8 15.115 6.103 1.892 59 HB2 LYS 8 1HB LYS 8 13.073 6.748 3.810 60 HB3 LYS 8 2HB LYS 8 13.407 5.030 3.729 61 HG2 LYS 8 1HG LYS 8 15.045 5.782 5.244 62 HG3 LYS 8 2HG LYS 8 15.958 5.790 3.765 63 HD2 LYS 8 1HD LYS 8 15.400 8.232 3.510 64 HD3 LYS 8 2HD LYS 8 14.687 8.159 5.131 65 HE2 LYS 8 1HE LYS 8 16.931 7.177 5.935 66 HE3 LYS 8 2HE LYS 8 17.588 7.601 4.359 67 HZ1 LYS 8 3HZ LYS 8 16.345 9.461 6.263 68 HZ2 LYS 8 1HZ LYS 8 17.989 9.278 5.960 69 HZ3 LYS 8 2HZ LYS 8 16.974 9.867 4.756 70 HA PRO 9 HA PRO 9 13.173 2.841 -0.577 71 HB2 PRO 9 1HB PRO 9 15.546 1.771 -1.412 72 HB3 PRO 9 2HB PRO 9 14.723 3.071 -2.275 73 HG2 PRO 9 1HG PRO 9 17.026 3.275 -0.285 74 HG3 PRO 9 2HG PRO 9 16.838 4.107 -1.830 75 HD2 PRO 9 1HD PRO 9 16.135 5.329 0.600 76 HD3 PRO 9 2HD PRO 9 15.170 5.653 -0.917 77 H ALA 10 H ALA 10 12.349 1.809 1.156 78 HA ALA 10 HA ALA 10 13.852 0.577 3.292 79 HB1 ALA 10 3HB ALA 10 10.983 0.388 2.342 80 HB2 ALA 10 1HB ALA 10 11.614 -0.214 3.893 81 HB3 ALA 10 2HB ALA 10 11.628 1.531 3.544 82 H VAL 11 H VAL 11 15.271 -0.352 1.462 83 HA VAL 11 HA VAL 11 16.021 -1.935 -0.049 84 HB VAL 11 HB VAL 11 16.042 -4.187 0.605 85 HG11 VAL 11 1HG1 VAL 11 17.467 -3.737 2.555 86 HG12 VAL 11 2HG1 VAL 11 17.745 -2.525 1.282 87 HG13 VAL 11 3HG1 VAL 11 16.765 -2.108 2.707 88 HG21 VAL 11 3HG2 VAL 11 13.995 -4.541 1.699 89 HG22 VAL 11 1HG2 VAL 11 15.382 -4.912 2.751 90 HG23 VAL 11 2HG2 VAL 11 14.455 -3.413 2.997 91 H SER 12 H SER 12 15.017 -4.417 -0.885 92 HA SER 12 HA SER 12 12.741 -3.775 -2.580 93 HB2 SER 12 1HB SER 12 14.639 -5.320 -3.250 94 HB3 SER 12 2HB SER 12 14.077 -6.470 -2.039 95 HG SER 12 HG SER 12 13.311 -6.594 -4.400 96 H VAL 13 H VAL 13 11.020 -5.804 -2.475 97 HA VAL 13 HA VAL 13 9.498 -5.558 -0.009 98 HB VAL 13 HB VAL 13 8.600 -5.719 -2.281 99 HG11 VAL 13 1HG1 VAL 13 8.143 -7.940 -3.214 100 HG12 VAL 13 2HG1 VAL 13 9.888 -7.596 -3.205 101 HG13 VAL 13 3HG1 VAL 13 9.189 -8.684 -1.982 102 HG21 VAL 13 3HG2 VAL 13 7.238 -5.728 -0.414 103 HG22 VAL 13 1HG2 VAL 13 6.643 -6.906 -1.609 104 HG23 VAL 13 2HG2 VAL 13 7.501 -7.469 -0.154 105 H ARG 14 H ARG 14 8.667 -8.307 0.299 106 HA ARG 14 HA ARG 14 9.080 -10.229 1.479 107 HB2 ARG 14 1HB ARG 14 10.825 -10.405 -0.317 108 HB3 ARG 14 2HB ARG 14 11.980 -9.964 0.988 109 HG2 ARG 14 1HG ARG 14 10.100 -12.331 1.316 110 HG3 ARG 14 2HG ARG 14 11.609 -12.509 0.478 111 HD2 ARG 14 1HD ARG 14 12.693 -12.682 2.373 112 HD3 ARG 14 2HD ARG 14 12.087 -11.106 2.936 113 HE ARG 14 HE ARG 14 10.529 -12.187 4.243 114 HH11 ARG 14 1HH1 ARG 14 11.581 -14.591 1.828 115 HH12 ARG 14 2HH1 ARG 14 10.626 -15.848 2.545 116 HH21 ARG 14 1HH2 ARG 14 9.339 -13.868 5.075 117 HH22 ARG 14 2HH2 ARG 14 9.387 -15.437 4.346 118 H LYS 15 H LYS 15 11.628 -7.761 2.228 119 HA LYS 15 HA LYS 15 11.243 -8.154 5.091 120 HB2 LYS 15 1HB LYS 15 13.285 -6.875 3.400 121 HB3 LYS 15 2HB LYS 15 13.007 -6.146 4.982 122 HG2 LYS 15 1HG LYS 15 13.010 -8.860 5.587 123 HG3 LYS 15 2HG LYS 15 14.215 -8.753 4.305 124 HD2 LYS 15 1HD LYS 15 15.424 -8.354 6.348 125 HD3 LYS 15 2HD LYS 15 15.236 -6.766 5.645 126 HE2 LYS 15 1HE LYS 15 12.929 -7.091 7.236 127 HE3 LYS 15 2HE LYS 15 14.248 -7.776 8.180 128 HZ1 LYS 15 3HZ LYS 15 14.227 -5.116 6.929 129 HZ2 LYS 15 1HZ LYS 15 14.002 -5.463 8.559 130 HZ3 LYS 15 2HZ LYS 15 15.486 -5.770 7.832 131 H SER 16 H SER 16 9.583 -6.070 2.863 132 HA SER 16 HA SER 16 8.804 -3.898 4.327 133 HB2 SER 16 1HB SER 16 6.901 -5.834 2.971 134 HB3 SER 16 2HB SER 16 6.622 -4.124 3.318 135 HG SER 16 HG SER 16 8.039 -3.511 1.763 136 H VAL 17 H VAL 17 8.243 -7.206 5.216 137 HA VAL 17 HA VAL 17 6.137 -6.748 7.193 138 HB VAL 17 HB VAL 17 7.568 -9.100 5.947 139 HG11 VAL 17 1HG1 VAL 17 6.121 -10.635 7.194 140 HG12 VAL 17 2HG1 VAL 17 7.209 -9.747 8.288 141 HG13 VAL 17 3HG1 VAL 17 5.496 -9.278 8.161 142 HG21 VAL 17 3HG2 VAL 17 5.790 -8.046 4.632 143 HG22 VAL 17 1HG2 VAL 17 5.277 -9.657 5.186 144 HG23 VAL 17 2HG2 VAL 17 4.662 -8.199 5.999 145 H GLN 18 H GLN 18 6.869 -5.785 9.030 146 HA GLN 18 HA GLN 18 9.244 -6.957 10.433 147 HB2 GLN 18 1HB GLN 18 8.051 -4.199 10.673 148 HB3 GLN 18 2HB GLN 18 9.568 -4.821 11.403 149 HG2 GLN 18 1HG GLN 18 10.619 -4.922 9.209 150 HG3 GLN 18 2HG GLN 18 9.107 -4.465 8.415 151 HE21 GLN 18 1HE2 GLN 18 11.860 -3.374 10.230 152 HE22 GLN 18 2HE2 GLN 18 11.485 -1.675 10.135 153 H ASP 19 H ASP 19 8.919 -6.074 12.945 154 HA ASP 19 HA ASP 19 6.939 -7.722 14.222 155 HB2 ASP 19 1HB ASP 19 8.696 -5.525 15.225 156 HB3 ASP 19 2HB ASP 19 7.612 -6.544 16.236 157 H ASP 20 H ASP 20 4.965 -7.074 13.107 158 HA ASP 20 HA ASP 20 2.987 -6.002 12.893 159 HB2 ASP 20 1HB ASP 20 3.433 -5.643 15.808 160 HB3 ASP 20 2HB ASP 20 2.058 -4.911 15.037 161 H HIS 21 H HIS 21 5.047 -4.599 11.698 162 HA HIS 21 HA HIS 21 3.765 -2.023 11.315 163 HB2 HIS 21 1HB HIS 21 5.749 -0.696 11.632 164 HB3 HIS 21 2HB HIS 21 5.022 -1.344 13.146 165 HD1 HIS 21 HD1 HIS 21 6.552 -3.166 14.423 166 HD2 HIS 21 HD2 HIS 21 8.262 -1.214 11.213 167 HE1 HIS 21 HE1 HIS 21 9.070 -3.254 14.813 168 H ILE 22 H ILE 22 3.487 -2.336 9.135 169 HA ILE 22 HA ILE 22 5.597 -3.254 7.412 170 HB ILE 22 HB ILE 22 3.069 -3.418 7.175 171 HG12 ILE 22 1HG1 ILE 22 4.636 -2.836 4.641 172 HG13 ILE 22 2HG1 ILE 22 5.130 -4.148 5.666 173 HG21 ILE 22 1HG2 ILE 22 2.134 -1.833 5.545 174 HG22 ILE 22 2HG2 ILE 22 2.516 -1.020 7.081 175 HG23 ILE 22 3HG2 ILE 22 3.592 -0.822 5.677 176 HD11 ILE 22 3HD1 ILE 22 2.391 -3.803 4.448 177 HD12 ILE 22 1HD1 ILE 22 3.680 -4.910 3.919 178 HD13 ILE 22 2HD1 ILE 22 2.897 -5.148 5.499 179 H VAL 23 H VAL 23 7.261 -2.195 6.612 180 HA VAL 23 HA VAL 23 7.836 0.601 7.151 181 HB VAL 23 HB VAL 23 9.409 -1.208 7.307 182 HG11 VAL 23 1HG1 VAL 23 10.587 -1.986 5.306 183 HG12 VAL 23 2HG1 VAL 23 8.897 -2.546 5.313 184 HG13 VAL 23 3HG1 VAL 23 9.381 -1.186 4.271 185 HG21 VAL 23 3HG2 VAL 23 10.080 1.007 7.376 186 HG22 VAL 23 1HG2 VAL 23 11.247 0.045 6.439 187 HG23 VAL 23 2HG2 VAL 23 10.104 1.121 5.600 188 H CYS 24 H CYS 24 7.299 2.370 6.052 189 HA CYS 24 HA CYS 24 5.809 2.169 3.672 190 HB2 CYS 24 1HB CYS 24 5.416 3.892 5.370 191 HB3 CYS 24 2HB CYS 24 6.978 4.635 4.972 192 H LEU 25 H LEU 25 6.911 1.425 1.850 193 HA LEU 25 HA LEU 25 9.413 2.166 0.917 194 HB2 LEU 25 1HB LEU 25 6.861 1.490 -0.449 195 HB3 LEU 25 2HB LEU 25 8.316 1.998 -1.376 196 HG LEU 25 HG LEU 25 8.277 -0.445 -1.368 197 HD11 LEU 25 1HD1 LEU 25 10.315 -1.024 -0.383 198 HD12 LEU 25 2HD1 LEU 25 10.412 0.514 -1.273 199 HD13 LEU 25 3HD1 LEU 25 10.361 0.517 0.505 200 HD21 LEU 25 3HD2 LEU 25 6.753 -0.801 0.520 201 HD22 LEU 25 1HD2 LEU 25 8.239 -1.774 0.622 202 HD23 LEU 25 2HD2 LEU 25 8.053 -0.324 1.638 203 H GLU 26 H GLU 26 10.283 3.834 -0.145 204 HA GLU 26 HA GLU 26 10.831 5.966 -0.562 205 HB2 GLU 26 1HB GLU 26 8.740 5.542 -2.175 206 HB3 GLU 26 2HB GLU 26 7.978 6.742 -1.176 207 HG2 GLU 26 1HG GLU 26 9.862 8.302 -1.640 208 HG3 GLU 26 2HG GLU 26 10.561 7.088 -2.711 209 H CYS 27 H CYS 27 9.918 5.287 2.333 210 HA CYS 27 HA CYS 27 9.826 8.063 3.180 211 HB2 CYS 27 1HB CYS 27 7.541 6.203 3.526 212 HB3 CYS 27 2HB CYS 27 8.010 7.187 4.925 213 H GLY 28 H GLY 28 9.580 4.533 4.357 214 HA2 GLY 28 1HA GLY 28 11.369 3.489 5.571 215 HA3 GLY 28 2HA GLY 28 11.932 5.026 6.140 216 H GLY 29 H GLY 29 9.463 6.173 7.125 217 HA2 GLY 29 1HA GLY 29 9.078 4.990 9.641 218 HA3 GLY 29 2HA GLY 29 7.950 6.075 8.842 219 H SER 30 H SER 30 7.728 3.490 10.504 220 HA SER 30 HA SER 30 6.040 1.876 8.627 221 HB2 SER 30 1HB SER 30 7.420 1.085 11.206 222 HB3 SER 30 2HB SER 30 6.446 0.041 10.169 223 HG SER 30 HG SER 30 8.544 -0.343 9.502 224 H PHE 31 H PHE 31 3.976 1.791 8.865 225 HA PHE 31 HA PHE 31 2.743 2.477 11.480 226 HB2 PHE 31 1HB PHE 31 1.008 3.774 10.033 227 HB3 PHE 31 2HB PHE 31 2.576 4.497 10.166 228 HD1 PHE 31 HD1 PHE 31 1.127 1.835 7.803 229 HD2 PHE 31 HD2 PHE 31 3.074 5.612 8.327 230 HE1 PHE 31 HE1 PHE 31 2.396 1.484 5.698 231 HE2 PHE 31 HE2 PHE 31 4.053 5.406 6.082 232 HZ PHE 31 HZ PHE 31 3.440 3.470 4.645 233 H LYS 32 H LYS 32 2.988 -0.225 10.092 234 HA LYS 32 HA LYS 32 1.812 -2.108 9.713 235 HB2 LYS 32 1HB LYS 32 0.007 -0.675 11.590 236 HB3 LYS 32 2HB LYS 32 -0.724 -1.967 10.695 237 HG2 LYS 32 1HG LYS 32 0.849 -3.578 11.553 238 HG3 LYS 32 2HG LYS 32 1.871 -2.331 12.223 239 HD2 LYS 32 1HD LYS 32 0.543 -3.378 13.921 240 HD3 LYS 32 2HD LYS 32 0.088 -1.653 13.747 241 HE2 LYS 32 1HE LYS 32 -1.927 -2.361 12.455 242 HE3 LYS 32 2HE LYS 32 -1.490 -4.052 12.726 243 HZ1 LYS 32 3HZ LYS 32 -2.046 -2.056 14.818 244 HZ2 LYS 32 1HZ LYS 32 -3.077 -3.284 14.307 245 HZ3 LYS 32 2HZ LYS 32 -1.630 -3.666 15.076 246 H SER 33 H SER 33 -0.522 0.587 8.987 247 HA SER 33 HA SER 33 -1.629 -1.081 6.755 248 HB2 SER 33 1HB SER 33 -3.075 -0.340 8.692 249 HB3 SER 33 2HB SER 33 -2.903 1.309 8.054 250 HG SER 33 HG SER 33 -4.786 0.082 7.239 251 H LEU 34 H LEU 34 -0.105 -0.667 5.223 252 HA LEU 34 HA LEU 34 1.006 1.823 4.380 253 HB2 LEU 34 1HB LEU 34 1.921 -0.344 3.941 254 HB3 LEU 34 2HB LEU 34 0.531 -0.678 2.835 255 HG LEU 34 HG LEU 34 2.750 -0.098 1.684 256 HD11 LEU 34 1HD1 LEU 34 1.792 1.199 -0.004 257 HD12 LEU 34 2HD1 LEU 34 0.716 -0.124 0.506 258 HD13 LEU 34 3HD1 LEU 34 0.375 1.547 1.016 259 HD21 LEU 34 3HD2 LEU 34 3.510 1.673 3.193 260 HD22 LEU 34 1HD2 LEU 34 3.364 2.200 1.500 261 HD23 LEU 34 2HD2 LEU 34 2.127 2.673 2.687 262 H LYS 35 H LYS 35 -1.931 0.067 3.277 263 HA LYS 35 HA LYS 35 -2.703 1.496 1.096 264 HB2 LYS 35 1HB LYS 35 -5.082 0.849 1.740 265 HB3 LYS 35 2HB LYS 35 -3.959 -0.467 1.734 266 HG2 LYS 35 1HG LYS 35 -4.232 -0.852 3.972 267 HG3 LYS 35 2HG LYS 35 -4.210 0.828 4.399 268 HD2 LYS 35 1HD LYS 35 -6.396 0.124 4.906 269 HD3 LYS 35 2HD LYS 35 -6.619 0.933 3.389 270 HE2 LYS 35 1HE LYS 35 -6.518 -1.257 2.228 271 HE3 LYS 35 2HE LYS 35 -6.405 -2.041 3.818 272 HZ1 LYS 35 3HZ LYS 35 -8.567 -0.237 2.928 273 HZ2 LYS 35 1HZ LYS 35 -8.663 -1.912 3.050 274 HZ3 LYS 35 2HZ LYS 35 -8.460 -0.980 4.434 275 H ARG 36 H ARG 36 -3.297 2.512 4.497 276 HA ARG 36 HA ARG 36 -4.959 4.782 3.908 277 HB2 ARG 36 1HB ARG 36 -4.570 3.381 6.104 278 HB3 ARG 36 2HB ARG 36 -3.351 4.629 6.396 279 HG2 ARG 36 1HG ARG 36 -5.088 6.391 5.993 280 HG3 ARG 36 2HG ARG 36 -6.298 5.126 5.764 281 HD2 ARG 36 1HD ARG 36 -5.566 4.275 8.104 282 HD3 ARG 36 2HD ARG 36 -4.799 5.868 8.280 283 HE ARG 36 HE ARG 36 -7.683 5.631 7.495 284 HH11 ARG 36 1HH1 ARG 36 -5.293 7.444 9.362 285 HH12 ARG 36 2HH1 ARG 36 -6.491 8.105 10.425 286 HH21 ARG 36 1HH2 ARG 36 -9.169 6.673 8.787 287 HH22 ARG 36 2HH2 ARG 36 -8.645 7.712 10.065 288 H HIS 37 H HIS 37 -1.756 5.007 5.470 289 HA HIS 37 HA HIS 37 -0.882 7.397 4.886 290 HB2 HIS 37 1HB HIS 37 0.402 5.948 6.196 291 HB3 HIS 37 2HB HIS 37 0.764 4.900 4.789 292 HD1 HIS 37 HD1 HIS 37 1.927 7.897 6.646 293 HD2 HIS 37 HD2 HIS 37 2.548 6.117 2.866 294 HE1 HIS 37 HE1 HIS 37 4.041 8.968 5.651 295 H LEU 38 H LEU 38 -0.656 4.644 2.557 296 HA LEU 38 HA LEU 38 0.641 5.801 0.399 297 HB2 LEU 38 1HB LEU 38 -0.258 3.427 0.917 298 HB3 LEU 38 2HB LEU 38 -1.652 4.001 -0.060 299 HG LEU 38 HG LEU 38 0.121 2.725 -1.348 300 HD11 LEU 38 1HD1 LEU 38 0.112 4.157 -3.259 301 HD12 LEU 38 2HD1 LEU 38 -1.486 4.057 -2.481 302 HD13 LEU 38 3HD1 LEU 38 -0.480 5.508 -2.262 303 HD21 LEU 38 3HD2 LEU 38 2.100 3.637 -0.175 304 HD22 LEU 38 1HD2 LEU 38 2.178 3.939 -1.927 305 HD23 LEU 38 2HD2 LEU 38 1.729 5.255 -0.816 306 H THR 39 H THR 39 -2.972 5.393 0.330 307 HA THR 39 HA THR 39 -3.594 7.349 -1.565 308 HB THR 39 HB THR 39 -5.434 6.615 0.683 309 HG1 THR 39 HG1 THR 39 -5.844 4.681 -0.497 310 HG21 THR 39 3HG2 THR 39 -5.769 7.004 -2.305 311 HG22 THR 39 1HG2 THR 39 -7.052 6.630 -1.132 312 HG23 THR 39 2HG2 THR 39 -6.200 8.190 -1.051 313 H THR 40 H THR 40 -3.232 7.892 1.992 314 HA THR 40 HA THR 40 -4.006 10.566 2.033 315 HB THR 40 HB THR 40 -2.027 9.176 3.901 316 HG1 THR 40 HG1 THR 40 -3.893 8.664 5.052 317 HG21 THR 40 3HG2 THR 40 -3.832 11.549 4.348 318 HG22 THR 40 1HG2 THR 40 -2.799 10.730 5.543 319 HG23 THR 40 2HG2 THR 40 -2.061 11.610 4.184 320 H HIS 41 H HIS 41 -0.576 9.365 1.909 321 HA HIS 41 HA HIS 41 0.473 12.164 1.623 322 HB2 HIS 41 1HB HIS 41 1.651 9.630 2.647 323 HB3 HIS 41 2HB HIS 41 2.659 10.904 2.033 324 HD1 HIS 41 HD1 HIS 41 -0.410 12.083 3.851 325 HD2 HIS 41 HD2 HIS 41 3.593 11.246 4.451 326 HE1 HIS 41 HE1 HIS 41 0.128 12.882 6.223 327 H HIS 42 H HIS 42 2.003 9.245 0.287 328 HA HIS 42 HA HIS 42 2.624 10.208 -2.193 329 HB2 HIS 42 1HB HIS 42 1.850 7.365 -1.885 330 HB3 HIS 42 2HB HIS 42 3.222 8.125 -2.752 331 HD1 HIS 42 HD1 HIS 42 5.409 8.454 -1.505 332 HD2 HIS 42 HD2 HIS 42 2.242 7.081 0.930 333 HE1 HIS 42 HE1 HIS 42 6.433 7.792 0.757 334 H SER 43 H SER 43 -0.638 9.133 -1.062 335 HA SER 43 HA SER 43 -2.702 9.415 -1.997 336 HB2 SER 43 1HB SER 43 -1.448 10.761 -4.386 337 HB3 SER 43 2HB SER 43 -3.154 10.670 -3.980 338 HG SER 43 HG SER 43 -1.075 11.950 -2.454 339 H MET 44 H MET 44 -3.732 8.766 -4.388 340 HA MET 44 HA MET 44 -4.136 7.251 -6.012 341 HB2 MET 44 1HB MET 44 -1.341 6.201 -5.767 342 HB3 MET 44 2HB MET 44 -2.524 5.953 -7.097 343 HG2 MET 44 1HG MET 44 -1.403 7.651 -8.144 344 HG3 MET 44 2HG MET 44 -2.219 8.726 -7.041 345 HE1 MET 44 3HE MET 44 1.092 6.801 -7.847 346 HE2 MET 44 1HE MET 44 2.085 7.154 -6.413 347 HE3 MET 44 2HE MET 44 0.666 6.089 -6.272 348 H THR 45 H THR 45 -4.328 4.907 -6.500 349 HA THR 45 HA THR 45 -5.321 3.375 -4.255 350 HB THR 45 HB THR 45 -5.561 1.588 -6.010 351 HG1 THR 45 HG1 THR 45 -5.377 2.593 -8.219 352 HG21 THR 45 3HG2 THR 45 -6.782 4.293 -6.624 353 HG22 THR 45 1HG2 THR 45 -7.384 2.706 -7.158 354 HG23 THR 45 2HG2 THR 45 -7.395 3.126 -5.429 355 HA PRO 46 HA PRO 46 -1.712 1.432 -2.785 356 HB2 PRO 46 1HB PRO 46 -2.591 -1.016 -2.161 357 HB3 PRO 46 2HB PRO 46 -2.861 0.505 -1.186 358 HG2 PRO 46 1HG PRO 46 -4.797 -0.895 -3.144 359 HG3 PRO 46 2HG PRO 46 -5.179 -0.279 -1.540 360 HD2 PRO 46 1HD PRO 46 -5.590 1.300 -3.812 361 HD3 PRO 46 2HD PRO 46 -4.953 2.075 -2.282 362 H GLU 47 H GLU 47 -3.537 -0.960 -4.878 363 HA GLU 47 HA GLU 47 -1.396 -2.278 -5.915 364 HB2 GLU 47 1HB GLU 47 -4.171 -1.920 -6.802 365 HB3 GLU 47 2HB GLU 47 -3.041 -2.443 -8.027 366 HG2 GLU 47 1HG GLU 47 -3.836 -4.379 -7.084 367 HG3 GLU 47 2HG GLU 47 -2.218 -4.152 -6.327 368 H GLU 48 H GLU 48 -2.532 0.958 -7.145 369 HA GLU 48 HA GLU 48 -0.912 1.049 -9.486 370 HB2 GLU 48 1HB GLU 48 -2.802 2.660 -8.723 371 HB3 GLU 48 2HB GLU 48 -1.590 3.432 -7.730 372 HG2 GLU 48 1HG GLU 48 -0.183 3.788 -9.780 373 HG3 GLU 48 2HG GLU 48 -1.483 3.102 -10.748 374 H TYR 49 H TYR 49 -0.265 1.873 -6.077 375 HA TYR 49 HA TYR 49 2.371 2.947 -6.429 376 HB2 TYR 49 1HB TYR 49 0.856 3.087 -4.373 377 HB3 TYR 49 2HB TYR 49 1.434 1.477 -3.954 378 HD1 TYR 49 HD1 TYR 49 2.632 4.888 -4.866 379 HD2 TYR 49 HD2 TYR 49 3.451 1.232 -2.765 380 HE1 TYR 49 HE1 TYR 49 4.497 5.996 -3.700 381 HE2 TYR 49 HE2 TYR 49 5.291 2.350 -1.542 382 HH TYR 49 HH TYR 49 5.892 5.827 -1.915 383 H ARG 50 H ARG 50 1.345 -0.509 -6.085 384 HA ARG 50 HA ARG 50 3.923 -1.653 -5.680 385 HB2 ARG 50 1HB ARG 50 3.152 -3.606 -6.001 386 HB3 ARG 50 2HB ARG 50 1.681 -2.697 -5.482 387 HG2 ARG 50 1HG ARG 50 0.797 -4.074 -7.155 388 HG3 ARG 50 2HG ARG 50 1.195 -2.683 -8.109 389 HD2 ARG 50 1HD ARG 50 2.972 -3.700 -9.135 390 HD3 ARG 50 2HD ARG 50 3.256 -4.828 -7.793 391 HE ARG 50 HE ARG 50 1.608 -6.252 -8.596 392 HH11 ARG 50 1HH1 ARG 50 1.574 -3.358 -10.669 393 HH12 ARG 50 2HH1 ARG 50 0.401 -4.049 -11.743 394 HH21 ARG 50 1HH2 ARG 50 0.106 -7.041 -10.028 395 HH22 ARG 50 2HH2 ARG 50 -0.364 -6.112 -11.407 396 H GLU 51 H GLU 51 2.373 -0.429 -8.699 397 HA GLU 51 HA GLU 51 4.341 -1.380 -10.583 398 HB2 GLU 51 1HB GLU 51 1.994 0.251 -10.621 399 HB3 GLU 51 2HB GLU 51 3.321 1.017 -11.507 400 HG2 GLU 51 1HG GLU 51 3.707 -1.182 -12.708 401 HG3 GLU 51 2HG GLU 51 2.279 -1.828 -11.906 402 H LYS 52 H LYS 52 4.175 1.662 -8.635 403 HA LYS 52 HA LYS 52 6.395 3.029 -9.667 404 HB2 LYS 52 1HB LYS 52 4.962 4.173 -8.315 405 HB3 LYS 52 2HB LYS 52 5.057 2.946 -7.006 406 HG2 LYS 52 1HG LYS 52 6.263 5.081 -6.401 407 HG3 LYS 52 2HG LYS 52 7.352 3.735 -6.442 408 HD2 LYS 52 1HD LYS 52 7.861 4.462 -8.875 409 HD3 LYS 52 2HD LYS 52 7.084 5.980 -8.399 410 HE2 LYS 52 1HE LYS 52 8.651 6.266 -6.548 411 HE3 LYS 52 2HE LYS 52 9.346 4.667 -6.830 412 HZ1 LYS 52 3HZ LYS 52 9.400 6.928 -8.716 413 HZ2 LYS 52 1HZ LYS 52 10.680 6.388 -7.766 414 HZ3 LYS 52 2HZ LYS 52 10.062 5.406 -8.984 415 H TRP 53 H TRP 53 6.427 1.027 -6.646 416 HA TRP 53 HA TRP 53 9.249 0.651 -6.728 417 HB2 TRP 53 1HB TRP 53 6.984 -0.451 -5.053 418 HB3 TRP 53 2HB TRP 53 8.652 -0.977 -4.824 419 HD1 TRP 53 HD1 TRP 53 6.404 2.096 -4.380 420 HE1 TRP 53 HE1 TRP 53 7.700 3.942 -3.230 421 HE3 TRP 53 HE3 TRP 53 10.890 -0.189 -4.246 422 HZ2 TRP 53 HZ2 TRP 53 10.478 4.508 -2.785 423 HZ3 TRP 53 HZ3 TRP 53 12.845 0.972 -3.262 424 HH2 TRP 53 HH2 TRP 53 12.637 3.358 -2.585 425 H ASP 54 H ASP 54 7.392 -0.634 -9.026 426 HA ASP 54 HA ASP 54 6.766 -2.680 -9.865 427 HB2 ASP 54 1HB ASP 54 8.833 -3.785 -10.767 428 HB3 ASP 54 2HB ASP 54 8.213 -2.196 -11.328 429 H LEU 55 H LEU 55 6.316 -3.082 -7.275 430 HA LEU 55 HA LEU 55 7.928 -5.151 -5.923 431 HB2 LEU 55 1HB LEU 55 6.341 -2.954 -5.133 432 HB3 LEU 55 2HB LEU 55 5.570 -4.377 -4.525 433 HG LEU 55 HG LEU 55 7.585 -5.100 -3.436 434 HD11 LEU 55 1HD1 LEU 55 9.605 -3.741 -3.349 435 HD12 LEU 55 2HD1 LEU 55 9.304 -4.341 -4.998 436 HD13 LEU 55 3HD1 LEU 55 8.940 -2.648 -4.587 437 HD21 LEU 55 3HD2 LEU 55 6.091 -3.465 -2.321 438 HD22 LEU 55 1HD2 LEU 55 7.789 -3.188 -1.866 439 HD23 LEU 55 2HD2 LEU 55 7.004 -2.127 -3.060 440 HA PRO 56 HA PRO 56 5.814 -8.335 -8.115 441 HB2 PRO 56 1HB PRO 56 6.984 -10.479 -6.850 442 HB3 PRO 56 2HB PRO 56 7.775 -9.554 -8.126 443 HG2 PRO 56 1HG PRO 56 8.072 -9.246 -5.101 444 HG3 PRO 56 2HG PRO 56 9.343 -9.293 -6.321 445 HD2 PRO 56 1HD PRO 56 8.348 -6.855 -5.368 446 HD3 PRO 56 2HD PRO 56 8.784 -7.029 -7.136 447 H VAL 57 H VAL 57 4.263 -9.816 -7.872 448 HA VAL 57 HA VAL 57 2.221 -10.457 -7.276 449 HB VAL 57 HB VAL 57 3.760 -11.985 -6.167 450 HG11 VAL 57 1HG1 VAL 57 3.573 -12.239 -3.738 451 HG12 VAL 57 2HG1 VAL 57 4.409 -10.726 -4.162 452 HG13 VAL 57 3HG1 VAL 57 2.711 -10.685 -3.631 453 HG21 VAL 57 3HG2 VAL 57 1.600 -12.566 -6.813 454 HG22 VAL 57 1HG2 VAL 57 1.959 -13.247 -5.209 455 HG23 VAL 57 2HG2 VAL 57 0.900 -11.824 -5.354 456 H ASP 58 H ASP 58 3.007 -7.480 -6.365 457 HA ASP 58 HA ASP 58 1.998 -5.690 -5.286 458 HB2 ASP 58 1HB ASP 58 -0.377 -5.563 -5.275 459 HB3 ASP 58 2HB ASP 58 0.467 -5.719 -6.856 460 H TYR 59 H TYR 59 3.244 -6.533 -3.490 461 HA TYR 59 HA TYR 59 2.490 -8.130 -1.377 462 HB2 TYR 59 1HB TYR 59 4.090 -7.062 -0.121 463 HB3 TYR 59 2HB TYR 59 4.580 -6.720 -1.817 464 HD1 TYR 59 HD1 TYR 59 3.770 -4.370 -2.763 465 HD2 TYR 59 HD2 TYR 59 3.997 -5.377 1.408 466 HE1 TYR 59 HE1 TYR 59 3.871 -1.981 -2.198 467 HE2 TYR 59 HE2 TYR 59 4.075 -2.980 1.988 468 HH TYR 59 HH TYR 59 3.960 -0.474 -0.580 469 HA PRO 60 HA PRO 60 -1.166 -6.598 0.595 470 HB2 PRO 60 1HB PRO 60 -0.748 -7.303 3.202 471 HB3 PRO 60 2HB PRO 60 -1.201 -8.469 1.960 472 HG2 PRO 60 1HG PRO 60 1.585 -7.841 3.043 473 HG3 PRO 60 2HG PRO 60 0.861 -9.420 2.744 474 HD2 PRO 60 1HD PRO 60 2.539 -8.216 0.852 475 HD3 PRO 60 2HD PRO 60 1.081 -9.173 0.299 476 H MET 61 H MET 61 -1.781 -4.669 1.125 477 HA MET 61 HA MET 61 0.164 -2.676 2.119 478 HB2 MET 61 1HB MET 61 -2.644 -2.339 1.098 479 HB3 MET 61 2HB MET 61 -1.355 -1.106 1.264 480 HG2 MET 61 1HG MET 61 -1.417 -3.434 -0.667 481 HG3 MET 61 2HG MET 61 -1.640 -1.694 -1.052 482 HE1 MET 61 3HE MET 61 0.047 -1.424 -2.864 483 HE2 MET 61 1HE MET 61 1.662 -2.171 -2.876 484 HE3 MET 61 2HE MET 61 0.208 -3.196 -2.856 485 H VAL 62 H VAL 62 -0.725 -4.570 4.123 486 HA VAL 62 HA VAL 62 -2.214 -2.862 5.938 487 HB VAL 62 HB VAL 62 -3.099 -5.736 5.926 488 HG11 VAL 62 1HG1 VAL 62 -5.147 -4.677 6.847 489 HG12 VAL 62 2HG1 VAL 62 -3.706 -4.188 7.769 490 HG13 VAL 62 3HG1 VAL 62 -4.432 -3.069 6.589 491 HG21 VAL 62 3HG2 VAL 62 -3.519 -5.239 3.629 492 HG22 VAL 62 1HG2 VAL 62 -5.027 -5.351 4.568 493 HG23 VAL 62 2HG2 VAL 62 -4.395 -3.759 4.085 494 H ALA 63 H ALA 63 -2.085 -4.158 8.227 495 HA ALA 63 HA ALA 63 0.465 -4.461 9.174 496 HB1 ALA 63 3HB ALA 63 -1.993 -6.015 10.020 497 HB2 ALA 63 1HB ALA 63 -0.528 -5.733 10.990 498 HB3 ALA 63 2HB ALA 63 -1.571 -4.366 10.536 499 HA PRO 64 HA PRO 64 2.515 -7.754 7.292 500 HB2 PRO 64 1HB PRO 64 3.990 -8.714 9.337 501 HB3 PRO 64 2HB PRO 64 4.366 -7.265 8.286 502 HG2 PRO 64 1HG PRO 64 3.080 -7.327 11.093 503 HG3 PRO 64 2HG PRO 64 4.361 -6.252 10.543 504 HD2 PRO 64 1HD PRO 64 1.807 -5.363 10.475 505 HD3 PRO 64 2HD PRO 64 2.864 -4.996 9.114 506 H ALA 65 H ALA 65 0.979 -8.691 10.450 507 HA ALA 65 HA ALA 65 0.386 -11.283 9.175 508 HB1 ALA 65 3HB ALA 65 0.566 -10.468 12.086 509 HB2 ALA 65 1HB ALA 65 0.134 -12.091 11.497 510 HB3 ALA 65 2HB ALA 65 1.749 -11.422 11.160 511 H TYR 66 H TYR 66 -1.285 -8.722 8.909 512 HA TYR 66 HA TYR 66 -3.443 -8.531 10.667 513 HB2 TYR 66 1HB TYR 66 -2.959 -6.824 9.200 514 HB3 TYR 66 2HB TYR 66 -3.309 -7.849 7.771 515 HD1 TYR 66 HD1 TYR 66 -5.092 -6.750 10.934 516 HD2 TYR 66 HD2 TYR 66 -5.282 -7.407 6.690 517 HE1 TYR 66 HE1 TYR 66 -7.517 -6.347 10.985 518 HE2 TYR 66 HE2 TYR 66 -7.729 -7.108 6.750 519 HH TYR 66 HH TYR 66 -9.414 -6.238 9.792 520 H ALA 67 H ALA 67 -4.755 -9.444 7.497 521 HA ALA 67 HA ALA 67 -6.457 -11.456 8.606 522 HB1 ALA 67 3HB ALA 67 -5.881 -10.666 5.745 523 HB2 ALA 67 1HB ALA 67 -7.207 -11.719 6.294 524 HB3 ALA 67 2HB ALA 67 -7.160 -10.013 6.797 525 H GLU 68 H GLU 68 -4.611 -12.533 9.594 526 HA GLU 68 HA GLU 68 -3.199 -14.232 9.945 527 HB2 GLU 68 1HB GLU 68 -4.986 -15.635 8.000 528 HB3 GLU 68 2HB GLU 68 -3.790 -16.411 9.025 529 HG2 GLU 68 1HG GLU 68 -5.020 -15.069 10.976 530 HG3 GLU 68 2HG GLU 68 -6.344 -15.021 9.829 531 H ALA 69 H ALA 69 -1.874 -12.426 8.487 532 HA ALA 69 HA ALA 69 -0.428 -11.824 6.848 533 HB1 ALA 69 3HB ALA 69 0.618 -14.508 7.687 534 HB2 ALA 69 1HB ALA 69 1.543 -13.253 6.830 535 HB3 ALA 69 2HB ALA 69 0.900 -12.929 8.457 536 H ARG 70 H ARG 70 -2.804 -13.161 5.575 537 HA ARG 70 HA ARG 70 -1.515 -14.290 3.177 538 HB2 ARG 70 1HB ARG 70 -3.825 -15.000 4.829 539 HB3 ARG 70 2HB ARG 70 -4.191 -14.992 3.107 540 HG2 ARG 70 1HG ARG 70 -2.221 -16.438 2.687 541 HG3 ARG 70 2HG ARG 70 -1.890 -16.466 4.431 542 HD2 ARG 70 1HD ARG 70 -3.949 -17.595 4.901 543 HD3 ARG 70 2HD ARG 70 -4.566 -17.301 3.258 544 HE ARG 70 HE ARG 70 -2.460 -18.717 2.565 545 HH11 ARG 70 1HH1 ARG 70 -3.961 -19.339 5.704 546 HH12 ARG 70 2HH1 ARG 70 -3.834 -21.061 5.538 547 HH21 ARG 70 1HH2 ARG 70 -2.176 -20.930 2.501 548 HH22 ARG 70 2HH2 ARG 70 -2.794 -21.934 3.767 549 H SER 71 H SER 71 -1.320 -11.644 2.800 550 HA SER 71 HA SER 71 -2.094 -9.703 1.836 551 HB2 SER 71 1HB SER 71 -2.526 -11.860 -0.202 552 HB3 SER 71 2HB SER 71 -2.477 -10.116 -0.554 553 HG SER 71 HG SER 71 -0.391 -11.167 -0.791 554 H ARG 72 H ARG 72 -4.095 -10.066 3.541 555 HA ARG 72 HA ARG 72 -6.234 -9.709 4.117 556 HB2 ARG 72 1HB ARG 72 -5.724 -7.633 2.714 557 HB3 ARG 72 2HB ARG 72 -6.665 -8.362 1.440 558 HG2 ARG 72 1HG ARG 72 -8.450 -8.656 3.440 559 HG3 ARG 72 2HG ARG 72 -7.562 -7.272 4.063 560 HD2 ARG 72 1HD ARG 72 -8.418 -5.886 2.515 561 HD3 ARG 72 2HD ARG 72 -8.157 -7.045 1.193 562 HE ARG 72 HE ARG 72 -10.336 -7.764 1.393 563 HH11 ARG 72 1HH1 ARG 72 -9.618 -6.070 4.441 564 HH12 ARG 72 2HH1 ARG 72 -11.253 -6.212 5.001 565 HH21 ARG 72 1HH2 ARG 72 -12.409 -7.909 2.221 566 HH22 ARG 72 2HH2 ARG 72 -12.788 -7.226 3.763 567 H LEU 73 H LEU 73 -5.568 -12.247 2.476 568 HA LEU 73 HA LEU 73 -6.596 -14.179 1.945 569 HB2 LEU 73 1HB LEU 73 -8.134 -13.921 3.808 570 HB3 LEU 73 2HB LEU 73 -9.214 -12.980 2.835 571 HG LEU 73 HG LEU 73 -9.175 -15.032 1.217 572 HD11 LEU 73 1HD1 LEU 73 -8.833 -17.147 2.319 573 HD12 LEU 73 2HD1 LEU 73 -7.329 -16.204 2.192 574 HD13 LEU 73 3HD1 LEU 73 -8.184 -16.309 3.749 575 HD21 LEU 73 3HD2 LEU 73 -11.109 -14.213 2.526 576 HD22 LEU 73 1HD2 LEU 73 -11.025 -15.991 2.534 577 HD23 LEU 73 2HD2 LEU 73 -10.497 -15.070 3.961 578 H ALA 74 H ALA 74 -9.195 -11.928 0.933 579 HA ALA 74 HA ALA 74 -8.917 -12.864 -1.862 580 HB1 ALA 74 3HB ALA 74 -11.135 -11.340 -0.464 581 HB2 ALA 74 1HB ALA 74 -11.130 -11.841 -2.172 582 HB3 ALA 74 2HB ALA 74 -11.139 -13.069 -0.884 583 H LYS 75 H LYS 75 -6.942 -11.664 -2.160 584 HA LYS 75 HA LYS 75 -6.634 -8.842 -2.139 585 HB2 LYS 75 1HB LYS 75 -4.910 -9.136 -3.721 586 HB3 LYS 75 2HB LYS 75 -4.782 -10.123 -2.224 587 HG2 LYS 75 1HG LYS 75 -5.873 -11.427 -4.716 588 HG3 LYS 75 2HG LYS 75 -4.149 -11.155 -4.606 589 HD2 LYS 75 1HD LYS 75 -3.897 -12.882 -3.138 590 HD3 LYS 75 2HD LYS 75 -5.190 -12.326 -2.110 591 HE2 LYS 75 1HE LYS 75 -5.787 -14.514 -2.975 592 HE3 LYS 75 2HE LYS 75 -6.851 -13.373 -3.737 593 HZ1 LYS 75 3HZ LYS 75 -4.437 -14.511 -4.917 594 HZ2 LYS 75 1HZ LYS 75 -6.034 -14.933 -5.232 595 HZ3 LYS 75 2HZ LYS 75 -5.469 -13.406 -5.656 596 H GLU 76 H GLU 76 -8.991 -8.565 -2.704 597 HA GLU 76 HA GLU 76 -9.917 -8.379 -5.414 598 HB2 GLU 76 1HB GLU 76 -11.135 -8.569 -3.188 599 HB3 GLU 76 2HB GLU 76 -10.799 -6.816 -2.996 600 HG2 GLU 76 1HG GLU 76 -12.986 -6.829 -3.909 601 HG3 GLU 76 2HG GLU 76 -12.011 -6.612 -5.341 602 H MET 77 H MET 77 -7.375 -7.308 -5.553 603 HA MET 77 HA MET 77 -6.087 -5.577 -6.186 604 HB2 MET 77 1HB MET 77 -8.292 -5.937 -7.850 605 HB3 MET 77 2HB MET 77 -8.266 -4.214 -7.646 606 HG2 MET 77 1HG MET 77 -5.622 -5.497 -8.264 607 HG3 MET 77 2HG MET 77 -6.809 -5.448 -9.524 608 HE1 MET 77 3HE MET 77 -7.130 -3.640 -11.043 609 HE2 MET 77 1HE MET 77 -5.859 -2.400 -11.144 610 HE3 MET 77 2HE MET 77 -5.417 -4.122 -11.072 611 H GLY 78 H GLY 78 -7.244 -5.009 -3.499 612 HA2 GLY 78 1HA GLY 78 -7.572 -3.410 -2.002 613 HA3 GLY 78 2HA GLY 78 -6.708 -2.304 -3.122 614 H LEU 79 H LEU 79 -9.832 -3.800 -3.969 615 HA LEU 79 HA LEU 79 -11.107 -1.379 -4.537 616 HB2 LEU 79 1HB LEU 79 -11.725 -4.231 -4.480 617 HB3 LEU 79 2HB LEU 79 -13.139 -3.173 -4.141 618 HG LEU 79 HG LEU 79 -13.019 -3.743 -6.566 619 HD11 LEU 79 1HD1 LEU 79 -13.201 -1.566 -7.465 620 HD12 LEU 79 2HD1 LEU 79 -14.057 -1.712 -5.912 621 HD13 LEU 79 3HD1 LEU 79 -12.494 -0.865 -5.990 622 HD21 LEU 79 3HD2 LEU 79 -10.599 -4.089 -6.768 623 HD22 LEU 79 1HD2 LEU 79 -11.243 -2.936 -7.961 624 HD23 LEU 79 2HD2 LEU 79 -10.346 -2.341 -6.545 625 H GLY 80 H GLY 80 -12.519 -0.030 -3.612 626 HA2 GLY 80 1HA GLY 80 -12.967 -0.006 -0.734 627 HA3 GLY 80 2HA GLY 80 -13.599 1.115 -1.911 628 H GLN 81 H GLN 81 -13.941 -2.328 -0.974 629 HA GLN 81 HA GLN 81 -16.868 -2.193 -1.570 630 HB2 GLN 81 1HB GLN 81 -14.970 -3.929 -2.527 631 HB3 GLN 81 2HB GLN 81 -15.551 -4.809 -1.123 632 HG2 GLN 81 1HG GLN 81 -17.072 -5.514 -2.735 633 HG3 GLN 81 2HG GLN 81 -17.954 -4.140 -2.091 634 HE21 GLN 81 1HE2 GLN 81 -17.957 -2.095 -3.355 635 HE22 GLN 81 2HE2 GLN 81 -17.681 -2.270 -5.063 636 H ARG 82 H ARG 82 -17.566 -1.269 0.324 637 HA ARG 82 HA ARG 82 -18.059 -3.172 2.473 638 HB2 ARG 82 1HB ARG 82 -15.907 -1.949 3.002 639 HB3 ARG 82 2HB ARG 82 -16.832 -0.415 2.953 640 HG2 ARG 82 1HG ARG 82 -17.594 -0.713 5.085 641 HG3 ARG 82 2HG ARG 82 -17.994 -2.397 4.810 642 HD2 ARG 82 1HD ARG 82 -16.241 -2.257 6.526 643 HD3 ARG 82 2HD ARG 82 -15.537 -2.982 5.111 644 HE ARG 82 HE ARG 82 -15.138 -0.149 5.035 645 HH11 ARG 82 1HH1 ARG 82 -13.895 -3.134 6.501 646 HH12 ARG 82 2HH1 ARG 82 -12.385 -2.408 6.946 647 HH21 ARG 82 1HH2 ARG 82 -13.110 0.693 5.593 648 HH22 ARG 82 2HH2 ARG 82 -11.957 -0.297 6.420 649 H ARG 83 H ARG 83 -20.260 -3.089 2.230 650 HA ARG 83 HA ARG 83 -22.340 -2.368 1.625 651 HB2 ARG 83 1HB ARG 83 -21.707 -0.747 4.095 652 HB3 ARG 83 2HB ARG 83 -23.314 -0.977 3.448 653 HG2 ARG 83 1HG ARG 83 -23.071 -3.424 3.690 654 HG3 ARG 83 2HG ARG 83 -21.446 -3.192 4.342 655 HD2 ARG 83 1HD ARG 83 -22.963 -1.450 5.879 656 HD3 ARG 83 2HD ARG 83 -24.060 -2.826 5.633 657 HE ARG 83 HE ARG 83 -21.699 -2.748 7.286 658 HH11 ARG 83 1HH1 ARG 83 -23.733 -5.043 5.500 659 HH12 ARG 83 2HH1 ARG 83 -22.966 -6.421 6.221 660 HH21 ARG 83 1HH2 ARG 83 -20.836 -4.566 8.224 661 HH22 ARG 83 2HH2 ARG 83 -21.374 -6.144 7.757 662 H LYS 84 H LYS 84 -22.419 -1.430 -0.382 663 HA LYS 84 HA LYS 84 -22.427 0.082 -2.060 664 HB2 LYS 84 1HB LYS 84 -24.547 0.418 -0.699 665 HB3 LYS 84 2HB LYS 84 -23.830 1.873 -0.074 666 HG2 LYS 84 1HG LYS 84 -23.552 2.718 -2.410 667 HG3 LYS 84 2HG LYS 84 -24.361 1.268 -2.996 668 HD2 LYS 84 1HD LYS 84 -26.400 1.851 -1.713 669 HD3 LYS 84 2HD LYS 84 -25.598 3.245 -1.018 670 HE2 LYS 84 1HE LYS 84 -26.038 2.884 -4.016 671 HE3 LYS 84 2HE LYS 84 -27.086 3.806 -2.961 672 HZ1 LYS 84 3HZ LYS 84 -24.241 4.327 -3.433 673 HZ2 LYS 84 1HZ LYS 84 -25.548 5.169 -4.074 674 HZ3 LYS 84 2HZ LYS 84 -25.248 5.213 -2.419 675 H ALA 85 H ALA 85 -19.912 0.079 -1.158 676 HA ALA 85 HA ALA 85 -17.858 1.162 -0.968 677 HB1 ALA 85 3HB ALA 85 -19.206 3.121 -2.735 678 HB2 ALA 85 1HB ALA 85 -17.465 2.966 -2.404 679 HB3 ALA 85 2HB ALA 85 -18.338 1.640 -3.205 680 H ASN 86 H ASN 86 -18.292 1.272 1.274 681 HA ASN 86 HA ASN 86 -17.892 2.189 3.327 682 HB2 ASN 86 1HB ASN 86 -16.789 3.940 3.789 683 HB3 ASN 86 2HB ASN 86 -16.115 3.339 2.236 684 HD21 ASN 86 1HD2 ASN 86 -16.212 4.683 0.393 685 HD22 ASN 86 2HD2 ASN 86 -16.601 6.361 0.598 686 H ARG 87 H ARG 87 -18.670 4.172 4.708 687 HA ARG 87 HA ARG 87 -21.275 5.329 4.267 688 HB2 ARG 87 1HB ARG 87 -22.544 4.095 5.882 689 HB3 ARG 87 2HB ARG 87 -22.287 3.299 4.293 690 HG2 ARG 87 1HG ARG 87 -20.957 1.586 5.251 691 HG3 ARG 87 2HG ARG 87 -20.549 2.529 6.660 692 HD2 ARG 87 1HD ARG 87 -22.158 0.708 7.182 693 HD3 ARG 87 2HD ARG 87 -22.853 2.260 7.543 694 HE ARG 87 HE ARG 87 -23.549 1.494 4.875 695 HH11 ARG 87 1HH1 ARG 87 -24.317 0.715 8.263 696 HH12 ARG 87 2HH1 ARG 87 -25.912 0.161 7.872 697 HH21 ARG 87 1HH2 ARG 87 -25.681 0.863 4.495 698 HH22 ARG 87 2HH2 ARG 87 -26.650 0.228 5.781 Start of MODEL 6 1 H1 ALA 1 1H ALA 1 16.786 15.789 -8.907 2 HA ALA 1 HA ALA 1 18.070 14.523 -11.096 3 HB1 ALA 1 3HB ALA 1 18.691 13.219 -8.453 4 HB2 ALA 1 1HB ALA 1 18.953 12.494 -10.056 5 HB3 ALA 1 2HB ALA 1 19.836 13.968 -9.592 6 H VAL 2 H VAL 2 16.534 13.049 -8.187 7 HA VAL 2 HA VAL 2 14.191 12.243 -9.930 8 HB VAL 2 HB VAL 2 15.311 10.628 -7.623 9 HG11 VAL 2 1HG1 VAL 2 13.664 8.981 -8.285 10 HG12 VAL 2 2HG1 VAL 2 12.858 10.483 -7.777 11 HG13 VAL 2 3HG1 VAL 2 13.001 10.090 -9.508 12 HG21 VAL 2 3HG2 VAL 2 16.715 10.506 -9.621 13 HG22 VAL 2 1HG2 VAL 2 15.826 8.994 -9.321 14 HG23 VAL 2 2HG2 VAL 2 15.282 10.108 -10.599 15 H ASN 3 H ASN 3 14.917 12.339 -6.435 16 HA ASN 3 HA ASN 3 13.877 13.297 -4.617 17 HB2 ASN 3 1HB ASN 3 13.501 15.630 -4.637 18 HB3 ASN 3 2HB ASN 3 15.051 15.140 -5.394 19 HD21 ASN 3 1HD2 ASN 3 15.531 15.817 -7.429 20 HD22 ASN 3 2HD2 ASN 3 14.446 16.872 -8.374 21 H VAL 4 H VAL 4 12.169 11.573 -5.705 22 HA VAL 4 HA VAL 4 9.554 12.621 -6.426 23 HB VAL 4 HB VAL 4 10.555 10.716 -7.437 24 HG11 VAL 4 1HG1 VAL 4 10.512 8.506 -6.370 25 HG12 VAL 4 2HG1 VAL 4 11.640 9.599 -5.533 26 HG13 VAL 4 3HG1 VAL 4 10.046 9.251 -4.823 27 HG21 VAL 4 3HG2 VAL 4 8.296 11.080 -7.750 28 HG22 VAL 4 1HG2 VAL 4 8.623 9.337 -7.600 29 HG23 VAL 4 2HG2 VAL 4 7.886 10.225 -6.245 30 H GLU 5 H GLU 5 9.783 13.917 -4.280 31 HA GLU 5 HA GLU 5 8.793 14.593 -2.261 32 HB2 GLU 5 1HB GLU 5 6.902 12.276 -2.601 33 HB3 GLU 5 2HB GLU 5 6.745 13.597 -1.473 34 HG2 GLU 5 1HG GLU 5 6.469 15.207 -3.286 35 HG3 GLU 5 2HG GLU 5 6.883 14.018 -4.490 36 H LYS 6 H LYS 6 10.772 14.294 -1.291 37 HA LYS 6 HA LYS 6 12.452 13.274 0.091 38 HB2 LYS 6 1HB LYS 6 9.936 13.118 1.527 39 HB3 LYS 6 2HB LYS 6 11.320 12.148 2.125 40 HG2 LYS 6 1HG LYS 6 11.353 14.242 3.249 41 HG3 LYS 6 2HG LYS 6 12.694 14.238 2.058 42 HD2 LYS 6 1HD LYS 6 10.290 15.423 0.904 43 HD3 LYS 6 2HD LYS 6 10.730 16.242 2.397 44 HE2 LYS 6 1HE LYS 6 13.078 16.484 1.524 45 HE3 LYS 6 2HE LYS 6 12.545 15.771 -0.001 46 HZ1 LYS 6 3HZ LYS 6 11.457 18.210 1.235 47 HZ2 LYS 6 1HZ LYS 6 12.511 18.135 -0.073 48 HZ3 LYS 6 2HZ LYS 6 10.949 17.531 -0.217 49 H GLN 7 H GLN 7 12.900 11.923 -1.769 50 HA GLN 7 HA GLN 7 11.939 9.223 -2.013 51 HB2 GLN 7 1HB GLN 7 13.601 8.881 -3.631 52 HB3 GLN 7 2HB GLN 7 12.663 10.399 -3.858 53 HG2 GLN 7 1HG GLN 7 14.732 11.277 -4.336 54 HG3 GLN 7 2HG GLN 7 14.913 11.355 -2.601 55 HE21 GLN 7 1HE2 GLN 7 17.042 11.027 -2.366 56 HE22 GLN 7 2HE2 GLN 7 17.927 9.633 -3.042 57 H LYS 8 H LYS 8 11.988 8.209 -0.085 58 HA LYS 8 HA LYS 8 14.743 7.317 0.919 59 HB2 LYS 8 1HB LYS 8 12.255 7.738 2.541 60 HB3 LYS 8 2HB LYS 8 13.740 7.004 3.102 61 HG2 LYS 8 1HG LYS 8 14.982 9.091 2.598 62 HG3 LYS 8 2HG LYS 8 13.500 9.832 2.002 63 HD2 LYS 8 1HD LYS 8 12.460 9.474 4.281 64 HD3 LYS 8 2HD LYS 8 13.995 8.857 4.853 65 HE2 LYS 8 1HE LYS 8 15.080 10.998 4.330 66 HE3 LYS 8 2HE LYS 8 13.545 11.626 3.703 67 HZ1 LYS 8 3HZ LYS 8 14.024 10.665 6.450 68 HZ2 LYS 8 1HZ LYS 8 13.907 12.271 5.968 69 HZ3 LYS 8 2HZ LYS 8 12.568 11.260 5.855 70 HA PRO 9 HA PRO 9 13.116 3.370 -0.721 71 HB2 PRO 9 1HB PRO 9 15.550 2.265 -1.147 72 HB3 PRO 9 2HB PRO 9 14.789 3.345 -2.314 73 HG2 PRO 9 1HG PRO 9 16.912 4.009 -0.220 74 HG3 PRO 9 2HG PRO 9 16.863 4.491 -1.915 75 HD2 PRO 9 1HD PRO 9 15.926 6.182 0.118 76 HD3 PRO 9 2HD PRO 9 15.102 6.145 -1.511 77 H ALA 10 H ALA 10 12.222 2.386 0.837 78 HA ALA 10 HA ALA 10 13.451 1.809 3.481 79 HB1 ALA 10 3HB ALA 10 10.850 1.008 2.182 80 HB2 ALA 10 1HB ALA 10 11.287 0.806 3.895 81 HB3 ALA 10 2HB ALA 10 11.132 2.438 3.202 82 H VAL 11 H VAL 11 15.222 0.851 1.892 83 HA VAL 11 HA VAL 11 16.488 -0.942 1.185 84 HB VAL 11 HB VAL 11 14.959 -2.769 3.048 85 HG11 VAL 11 1HG1 VAL 11 17.101 -3.832 3.279 86 HG12 VAL 11 2HG1 VAL 11 16.604 -3.838 1.570 87 HG13 VAL 11 3HG1 VAL 11 17.837 -2.685 2.134 88 HG21 VAL 11 3HG2 VAL 11 15.493 -0.748 4.296 89 HG22 VAL 11 1HG2 VAL 11 16.486 -2.145 4.773 90 HG23 VAL 11 2HG2 VAL 11 17.183 -0.866 3.751 91 H SER 12 H SER 12 16.096 -3.444 0.309 92 HA SER 12 HA SER 12 14.000 -3.250 -1.812 93 HB2 SER 12 1HB SER 12 16.305 -3.968 -2.449 94 HB3 SER 12 2HB SER 12 16.201 -5.323 -1.319 95 HG SER 12 HG SER 12 14.281 -4.902 -3.463 96 H VAL 13 H VAL 13 12.285 -4.461 -1.935 97 HA VAL 13 HA VAL 13 10.504 -5.228 -0.297 98 HB VAL 13 HB VAL 13 10.050 -5.601 -2.394 99 HG11 VAL 13 1HG1 VAL 13 10.748 -7.555 -3.705 100 HG12 VAL 13 2HG1 VAL 13 12.144 -6.535 -3.282 101 HG13 VAL 13 3HG1 VAL 13 11.849 -8.050 -2.398 102 HG21 VAL 13 3HG2 VAL 13 8.619 -6.682 -0.863 103 HG22 VAL 13 1HG2 VAL 13 8.790 -7.654 -2.344 104 HG23 VAL 13 2HG2 VAL 13 9.645 -8.137 -0.858 105 H ARG 14 H ARG 14 12.152 -8.285 -0.880 106 HA ARG 14 HA ARG 14 12.102 -10.171 0.501 107 HB2 ARG 14 1HB ARG 14 14.244 -8.363 1.372 108 HB3 ARG 14 2HB ARG 14 13.979 -9.869 2.254 109 HG2 ARG 14 1HG ARG 14 14.120 -11.155 0.148 110 HG3 ARG 14 2HG ARG 14 14.306 -9.661 -0.774 111 HD2 ARG 14 1HD ARG 14 16.447 -9.242 0.086 112 HD3 ARG 14 2HD ARG 14 16.200 -10.309 1.487 113 HE ARG 14 HE ARG 14 16.402 -11.324 -1.344 114 HH11 ARG 14 1HH1 ARG 14 17.377 -11.565 2.094 115 HH12 ARG 14 2HH1 ARG 14 18.237 -13.104 1.819 116 HH21 ARG 14 1HH2 ARG 14 17.520 -13.267 -1.603 117 HH22 ARG 14 2HH2 ARG 14 18.315 -14.033 -0.201 118 H LYS 15 H LYS 15 12.796 -8.191 3.338 119 HA LYS 15 HA LYS 15 10.213 -9.140 4.676 120 HB2 LYS 15 1HB LYS 15 11.161 -9.079 6.694 121 HB3 LYS 15 2HB LYS 15 12.100 -10.134 5.576 122 HG2 LYS 15 1HG LYS 15 12.982 -7.361 6.321 123 HG3 LYS 15 2HG LYS 15 13.378 -8.810 7.302 124 HD2 LYS 15 1HD LYS 15 14.552 -9.775 5.322 125 HD3 LYS 15 2HD LYS 15 14.213 -8.304 4.413 126 HE2 LYS 15 1HE LYS 15 16.476 -8.145 5.327 127 HE3 LYS 15 2HE LYS 15 15.482 -6.992 6.189 128 HZ1 LYS 15 3HZ LYS 15 16.213 -9.671 7.133 129 HZ2 LYS 15 1HZ LYS 15 16.867 -8.205 7.632 130 HZ3 LYS 15 2HZ LYS 15 15.257 -8.562 7.962 131 H SER 16 H SER 16 9.685 -7.129 3.049 132 HA SER 16 HA SER 16 9.508 -4.500 4.245 133 HB2 SER 16 1HB SER 16 7.251 -5.877 2.751 134 HB3 SER 16 2HB SER 16 7.570 -4.159 2.884 135 HG SER 16 HG SER 16 8.879 -4.249 1.241 136 H VAL 17 H VAL 17 7.713 -7.440 4.851 137 HA VAL 17 HA VAL 17 6.088 -6.473 7.094 138 HB VAL 17 HB VAL 17 6.616 -8.962 5.605 139 HG11 VAL 17 1HG1 VAL 17 5.378 -10.395 7.147 140 HG12 VAL 17 2HG1 VAL 17 6.921 -9.866 7.859 141 HG13 VAL 17 3HG1 VAL 17 5.397 -9.108 8.377 142 HG21 VAL 17 3HG2 VAL 17 4.768 -7.435 5.081 143 HG22 VAL 17 1HG2 VAL 17 4.123 -8.980 5.683 144 HG23 VAL 17 2HG2 VAL 17 4.164 -7.557 6.750 145 H GLN 18 H GLN 18 6.841 -5.898 8.942 146 HA GLN 18 HA GLN 18 9.167 -7.420 10.159 147 HB2 GLN 18 1HB GLN 18 8.684 -4.494 10.740 148 HB3 GLN 18 2HB GLN 18 10.110 -5.455 11.048 149 HG2 GLN 18 1HG GLN 18 10.112 -5.780 8.454 150 HG3 GLN 18 2HG GLN 18 9.106 -4.288 8.510 151 HE21 GLN 18 1HE2 GLN 18 11.481 -4.594 7.134 152 HE22 GLN 18 2HE2 GLN 18 12.720 -3.550 7.882 153 H ASP 19 H ASP 19 8.940 -6.242 12.751 154 HA ASP 19 HA ASP 19 6.919 -7.943 13.926 155 HB2 ASP 19 1HB ASP 19 8.753 -5.868 15.041 156 HB3 ASP 19 2HB ASP 19 7.539 -6.733 16.044 157 H ASP 20 H ASP 20 4.988 -7.327 12.931 158 HA ASP 20 HA ASP 20 2.973 -6.264 12.657 159 HB2 ASP 20 1HB ASP 20 3.454 -5.669 15.507 160 HB3 ASP 20 2HB ASP 20 2.038 -5.038 14.676 161 H HIS 21 H HIS 21 5.344 -4.868 11.733 162 HA HIS 21 HA HIS 21 4.041 -2.236 11.121 163 HB2 HIS 21 1HB HIS 21 6.082 -0.996 11.395 164 HB3 HIS 21 2HB HIS 21 5.328 -1.578 12.921 165 HD2 HIS 21 HD2 HIS 21 8.555 -1.707 10.938 166 HE1 HIS 21 HE1 HIS 21 9.288 -3.579 14.647 167 HE2 HIS 21 HE2 HIS 21 10.372 -2.576 12.537 168 H ILE 22 H ILE 22 4.060 -1.842 9.144 169 HA ILE 22 HA ILE 22 5.813 -3.351 7.238 170 HB ILE 22 HB ILE 22 3.414 -3.737 7.071 171 HG12 ILE 22 1HG1 ILE 22 4.407 -2.413 4.547 172 HG13 ILE 22 2HG1 ILE 22 5.075 -3.909 5.145 173 HG21 ILE 22 1HG2 ILE 22 1.920 -2.043 6.091 174 HG22 ILE 22 2HG2 ILE 22 2.502 -1.531 7.694 175 HG23 ILE 22 3HG2 ILE 22 3.206 -0.821 6.222 176 HD11 ILE 22 3HD1 ILE 22 2.165 -3.419 4.488 177 HD12 ILE 22 1HD1 ILE 22 3.351 -4.316 3.510 178 HD13 ILE 22 2HD1 ILE 22 2.847 -4.945 5.097 179 H VAL 23 H VAL 23 7.217 -2.307 6.015 180 HA VAL 23 HA VAL 23 7.965 0.487 6.779 181 HB VAL 23 HB VAL 23 9.439 -1.465 6.766 182 HG11 VAL 23 1HG1 VAL 23 10.666 -1.953 4.703 183 HG12 VAL 23 2HG1 VAL 23 8.965 -2.460 4.571 184 HG13 VAL 23 3HG1 VAL 23 9.514 -0.967 3.771 185 HG21 VAL 23 3HG2 VAL 23 10.140 0.665 7.247 186 HG22 VAL 23 1HG2 VAL 23 11.328 -0.139 6.193 187 HG23 VAL 23 2HG2 VAL 23 10.237 1.098 5.524 188 H CYS 24 H CYS 24 7.658 2.287 5.795 189 HA CYS 24 HA CYS 24 5.875 2.333 3.492 190 HB2 CYS 24 1HB CYS 24 5.675 3.958 5.333 191 HB3 CYS 24 2HB CYS 24 7.232 4.663 4.859 192 H LEU 25 H LEU 25 6.851 1.642 1.582 193 HA LEU 25 HA LEU 25 9.541 2.392 0.762 194 HB2 LEU 25 1HB LEU 25 7.161 1.453 -0.826 195 HB3 LEU 25 2HB LEU 25 8.691 1.853 -1.562 196 HG LEU 25 HG LEU 25 8.492 -0.087 0.742 197 HD11 LEU 25 1HD1 LEU 25 8.501 -1.852 -0.993 198 HD12 LEU 25 2HD1 LEU 25 7.041 -0.842 -1.118 199 HD13 LEU 25 3HD1 LEU 25 8.385 -0.609 -2.261 200 HD21 LEU 25 3HD2 LEU 25 10.732 0.811 0.276 201 HD22 LEU 25 1HD2 LEU 25 10.620 -0.908 -0.169 202 HD23 LEU 25 2HD2 LEU 25 10.569 0.343 -1.434 203 H GLU 26 H GLU 26 10.346 4.022 -0.326 204 HA GLU 26 HA GLU 26 10.670 6.162 -1.131 205 HB2 GLU 26 1HB GLU 26 8.577 5.468 -2.453 206 HB3 GLU 26 2HB GLU 26 7.753 6.678 -1.407 207 HG2 GLU 26 1HG GLU 26 10.187 7.377 -3.018 208 HG3 GLU 26 2HG GLU 26 8.540 7.387 -3.730 209 H CYS 27 H CYS 27 9.572 5.518 1.853 210 HA CYS 27 HA CYS 27 9.328 8.406 2.595 211 HB2 CYS 27 1HB CYS 27 7.102 6.994 2.525 212 HB3 CYS 27 2HB CYS 27 7.677 6.443 4.110 213 H GLY 28 H GLY 28 9.555 5.038 3.899 214 HA2 GLY 28 1HA GLY 28 11.667 4.295 5.063 215 HA3 GLY 28 2HA GLY 28 11.856 5.913 5.703 216 H GLY 29 H GLY 29 9.515 6.617 6.716 217 HA2 GLY 29 1HA GLY 29 9.372 5.361 9.303 218 HA3 GLY 29 2HA GLY 29 8.110 6.365 8.628 219 H SER 30 H SER 30 8.278 3.831 10.249 220 HA SER 30 HA SER 30 6.745 1.927 8.430 221 HB2 SER 30 1HB SER 30 8.995 1.186 9.330 222 HB3 SER 30 2HB SER 30 8.295 1.255 10.951 223 HG SER 30 HG SER 30 6.482 -0.088 9.581 224 H PHE 31 H PHE 31 4.998 0.841 9.187 225 HA PHE 31 HA PHE 31 3.626 1.637 11.673 226 HB2 PHE 31 1HB PHE 31 1.646 2.568 10.342 227 HB3 PHE 31 2HB PHE 31 3.070 3.620 10.636 228 HD1 PHE 31 HD1 PHE 31 2.364 1.034 7.924 229 HD2 PHE 31 HD2 PHE 31 3.261 5.095 8.981 230 HE1 PHE 31 HE1 PHE 31 3.046 1.490 5.587 231 HE2 PHE 31 HE2 PHE 31 3.901 5.562 6.640 232 HZ PHE 31 HZ PHE 31 3.720 3.782 4.928 233 H LYS 32 H LYS 32 1.434 0.754 11.892 234 HA LYS 32 HA LYS 32 1.223 -1.974 11.001 235 HB2 LYS 32 1HB LYS 32 -0.978 -1.998 11.952 236 HB3 LYS 32 2HB LYS 32 0.298 -1.358 13.040 237 HG2 LYS 32 1HG LYS 32 -0.550 0.959 12.628 238 HG3 LYS 32 2HG LYS 32 -1.794 0.334 11.572 239 HD2 LYS 32 1HD LYS 32 -1.500 -0.504 14.451 240 HD3 LYS 32 2HD LYS 32 -2.509 0.862 13.883 241 HE2 LYS 32 1HE LYS 32 -2.919 -2.018 12.937 242 HE3 LYS 32 2HE LYS 32 -3.785 -1.325 14.289 243 HZ1 LYS 32 3HZ LYS 32 -3.801 -0.312 11.541 244 HZ2 LYS 32 1HZ LYS 32 -5.009 -1.196 12.307 245 HZ3 LYS 32 2HZ LYS 32 -4.634 0.355 12.841 246 H SER 33 H SER 33 -0.342 0.975 9.679 247 HA SER 33 HA SER 33 -1.486 -0.731 7.408 248 HB2 SER 33 1HB SER 33 -3.306 0.889 7.247 249 HB3 SER 33 2HB SER 33 -3.313 0.019 8.780 250 HG SER 33 HG SER 33 -1.865 2.489 8.651 251 H LEU 34 H LEU 34 -0.965 -0.344 5.492 252 HA LEU 34 HA LEU 34 0.598 2.178 4.786 253 HB2 LEU 34 1HB LEU 34 1.797 0.211 4.512 254 HB3 LEU 34 2HB LEU 34 0.501 -0.467 3.462 255 HG LEU 34 HG LEU 34 0.981 1.152 1.761 256 HD11 LEU 34 1HD1 LEU 34 2.896 2.682 1.865 257 HD12 LEU 34 2HD1 LEU 34 1.684 3.087 3.104 258 HD13 LEU 34 3HD1 LEU 34 3.176 2.231 3.564 259 HD21 LEU 34 3HD2 LEU 34 2.281 -0.948 1.827 260 HD22 LEU 34 1HD2 LEU 34 3.284 0.379 1.196 261 HD23 LEU 34 2HD2 LEU 34 3.496 -0.175 2.874 262 H LYS 35 H LYS 35 -2.298 0.284 3.802 263 HA LYS 35 HA LYS 35 -2.939 1.701 1.432 264 HB2 LYS 35 1HB LYS 35 -5.099 0.909 1.542 265 HB3 LYS 35 2HB LYS 35 -3.998 -0.355 2.187 266 HG2 LYS 35 1HG LYS 35 -4.959 -0.337 4.221 267 HG3 LYS 35 2HG LYS 35 -5.283 1.422 4.178 268 HD2 LYS 35 1HD LYS 35 -6.956 0.527 2.144 269 HD3 LYS 35 2HD LYS 35 -7.024 -0.846 3.219 270 HE2 LYS 35 1HE LYS 35 -7.487 1.943 4.339 271 HE3 LYS 35 2HE LYS 35 -8.763 1.082 3.547 272 HZ1 LYS 35 3HZ LYS 35 -7.250 0.147 5.854 273 HZ2 LYS 35 1HZ LYS 35 -8.805 0.787 5.827 274 HZ3 LYS 35 2HZ LYS 35 -8.489 -0.689 5.085 275 H ARG 36 H ARG 36 -3.669 2.591 4.773 276 HA ARG 36 HA ARG 36 -5.084 5.073 4.356 277 HB2 ARG 36 1HB ARG 36 -3.742 3.589 6.466 278 HB3 ARG 36 2HB ARG 36 -3.552 5.366 6.627 279 HG2 ARG 36 1HG ARG 36 -6.301 4.181 6.185 280 HG3 ARG 36 2HG ARG 36 -5.593 4.169 7.790 281 HD2 ARG 36 1HD ARG 36 -5.117 6.683 7.352 282 HD3 ARG 36 2HD ARG 36 -6.351 6.494 6.067 283 HE ARG 36 HE ARG 36 -7.461 5.233 8.291 284 HH11 ARG 36 1HH1 ARG 36 -6.598 8.627 7.524 285 HH12 ARG 36 2HH1 ARG 36 -7.642 9.249 8.830 286 HH21 ARG 36 1HH2 ARG 36 -8.765 6.103 9.867 287 HH22 ARG 36 2HH2 ARG 36 -8.829 7.869 10.108 288 H HIS 37 H HIS 37 -1.772 4.878 5.546 289 HA HIS 37 HA HIS 37 -0.982 7.508 5.157 290 HB2 HIS 37 1HB HIS 37 0.219 6.183 6.608 291 HB3 HIS 37 2HB HIS 37 0.602 4.981 5.336 292 HD1 HIS 37 HD1 HIS 37 1.743 8.194 6.871 293 HD2 HIS 37 HD2 HIS 37 2.615 5.822 3.488 294 HE1 HIS 37 HE1 HIS 37 3.978 9.035 5.925 295 H LEU 38 H LEU 38 -0.491 4.701 2.966 296 HA LEU 38 HA LEU 38 0.988 5.927 0.877 297 HB2 LEU 38 1HB LEU 38 0.589 3.568 1.188 298 HB3 LEU 38 2HB LEU 38 -1.081 3.812 0.554 299 HG LEU 38 HG LEU 38 0.858 2.897 -1.007 300 HD11 LEU 38 1HD1 LEU 38 -0.268 3.880 -2.925 301 HD12 LEU 38 2HD1 LEU 38 -1.458 3.354 -1.711 302 HD13 LEU 38 3HD1 LEU 38 -1.058 5.080 -1.876 303 HD21 LEU 38 3HD2 LEU 38 2.479 4.581 -0.568 304 HD22 LEU 38 1HD2 LEU 38 1.980 4.568 -2.276 305 HD23 LEU 38 2HD2 LEU 38 1.376 5.835 -1.182 306 H THR 39 H THR 39 -2.513 5.263 0.610 307 HA THR 39 HA THR 39 -3.224 7.135 -1.465 308 HB THR 39 HB THR 39 -5.160 6.418 0.691 309 HG1 THR 39 HG1 THR 39 -5.430 4.385 -0.584 310 HG21 THR 39 3HG2 THR 39 -5.260 6.525 -2.342 311 HG22 THR 39 1HG2 THR 39 -6.620 6.177 -1.248 312 HG23 THR 39 2HG2 THR 39 -5.859 7.787 -1.240 313 H THR 40 H THR 40 -2.938 7.728 2.031 314 HA THR 40 HA THR 40 -4.018 10.405 2.028 315 HB THR 40 HB THR 40 -1.994 9.233 3.992 316 HG1 THR 40 HG1 THR 40 -4.814 9.363 4.394 317 HG21 THR 40 3HG2 THR 40 -4.001 11.466 4.296 318 HG22 THR 40 1HG2 THR 40 -2.939 10.788 5.552 319 HG23 THR 40 2HG2 THR 40 -2.237 11.668 4.172 320 H HIS 41 H HIS 41 -0.561 9.412 2.192 321 HA HIS 41 HA HIS 41 0.377 12.241 1.722 322 HB2 HIS 41 1HB HIS 41 1.705 9.785 2.761 323 HB3 HIS 41 2HB HIS 41 2.616 11.151 2.186 324 HD2 HIS 41 HD2 HIS 41 3.333 11.134 4.836 325 HE1 HIS 41 HE1 HIS 41 -0.106 13.180 6.179 326 HE2 HIS 41 HE2 HIS 41 2.275 12.413 6.804 327 H HIS 42 H HIS 42 1.950 9.349 0.516 328 HA HIS 42 HA HIS 42 2.698 10.315 -2.025 329 HB2 HIS 42 1HB HIS 42 2.060 7.447 -1.630 330 HB3 HIS 42 2HB HIS 42 3.406 8.242 -2.504 331 HD1 HIS 42 HD1 HIS 42 5.551 8.735 -1.232 332 HD2 HIS 42 HD2 HIS 42 2.414 7.288 1.197 333 HE1 HIS 42 HE1 HIS 42 6.566 8.214 1.068 334 H SER 43 H SER 43 -0.487 9.273 -0.881 335 HA SER 43 HA SER 43 -2.573 9.170 -1.944 336 HB2 SER 43 1HB SER 43 -1.348 10.527 -4.335 337 HB3 SER 43 2HB SER 43 -3.053 10.338 -3.965 338 HG SER 43 HG SER 43 -1.186 12.165 -3.005 339 H MET 44 H MET 44 -3.351 8.534 -4.494 340 HA MET 44 HA MET 44 -3.622 6.875 -6.064 341 HB2 MET 44 1HB MET 44 -0.888 5.821 -5.440 342 HB3 MET 44 2HB MET 44 -1.932 5.446 -6.852 343 HG2 MET 44 1HG MET 44 -0.672 7.042 -7.920 344 HG3 MET 44 2HG MET 44 -1.639 8.202 -7.054 345 HE1 MET 44 3HE MET 44 1.779 6.351 -7.290 346 HE2 MET 44 1HE MET 44 2.588 6.846 -5.784 347 HE3 MET 44 2HE MET 44 1.195 5.739 -5.724 348 H THR 45 H THR 45 -4.057 4.670 -6.429 349 HA THR 45 HA THR 45 -5.068 3.178 -4.106 350 HB THR 45 HB THR 45 -5.610 1.395 -5.714 351 HG1 THR 45 HG1 THR 45 -4.675 2.941 -7.872 352 HG21 THR 45 3HG2 THR 45 -6.361 4.167 -6.675 353 HG22 THR 45 1HG2 THR 45 -7.200 2.642 -7.047 354 HG23 THR 45 2HG2 THR 45 -7.177 3.263 -5.378 355 HA PRO 46 HA PRO 46 -1.572 0.836 -2.781 356 HB2 PRO 46 1HB PRO 46 -2.737 -1.558 -2.281 357 HB3 PRO 46 2HB PRO 46 -2.722 -0.105 -1.174 358 HG2 PRO 46 1HG PRO 46 -4.959 -1.055 -3.075 359 HG3 PRO 46 2HG PRO 46 -5.143 -0.503 -1.413 360 HD2 PRO 46 1HD PRO 46 -5.561 1.257 -3.436 361 HD3 PRO 46 2HD PRO 46 -4.703 1.800 -1.993 362 H GLU 47 H GLU 47 -3.791 -0.897 -5.006 363 HA GLU 47 HA GLU 47 -1.841 -2.681 -6.126 364 HB2 GLU 47 1HB GLU 47 -4.590 -1.990 -6.733 365 HB3 GLU 47 2HB GLU 47 -3.651 -2.320 -8.172 366 HG2 GLU 47 1HG GLU 47 -4.543 -4.442 -7.395 367 HG3 GLU 47 2HG GLU 47 -2.849 -4.492 -7.033 368 H GLU 48 H GLU 48 -2.791 0.630 -7.263 369 HA GLU 48 HA GLU 48 -0.980 0.598 -9.583 370 HB2 GLU 48 1HB GLU 48 -2.966 2.243 -8.877 371 HB3 GLU 48 2HB GLU 48 -1.588 3.191 -8.324 372 HG2 GLU 48 1HG GLU 48 -2.061 3.741 -10.701 373 HG3 GLU 48 2HG GLU 48 -0.537 2.922 -10.635 374 H TYR 49 H TYR 49 -0.618 1.685 -6.214 375 HA TYR 49 HA TYR 49 2.040 2.712 -6.375 376 HB2 TYR 49 1HB TYR 49 0.618 3.100 -4.415 377 HB3 TYR 49 2HB TYR 49 0.583 1.404 -4.033 378 HD1 TYR 49 HD1 TYR 49 3.287 3.937 -4.803 379 HD2 TYR 49 HD2 TYR 49 1.811 0.773 -2.305 380 HE1 TYR 49 HE1 TYR 49 5.172 4.306 -3.229 381 HE2 TYR 49 HE2 TYR 49 3.717 1.104 -0.757 382 HH TYR 49 HH TYR 49 5.784 4.001 -1.049 383 H ARG 50 H ARG 50 0.962 -0.700 -5.872 384 HA ARG 50 HA ARG 50 3.559 -1.868 -5.356 385 HB2 ARG 50 1HB ARG 50 2.776 -3.824 -5.573 386 HB3 ARG 50 2HB ARG 50 1.280 -2.880 -5.213 387 HG2 ARG 50 1HG ARG 50 0.548 -4.441 -6.807 388 HG3 ARG 50 2HG ARG 50 0.885 -3.056 -7.807 389 HD2 ARG 50 1HD ARG 50 2.912 -3.986 -8.617 390 HD3 ARG 50 2HD ARG 50 2.954 -5.215 -7.350 391 HE ARG 50 HE ARG 50 0.506 -5.520 -8.755 392 HH11 ARG 50 1HH1 ARG 50 3.945 -5.641 -9.723 393 HH12 ARG 50 2HH1 ARG 50 3.666 -7.028 -10.810 394 HH21 ARG 50 1HH2 ARG 50 0.228 -7.217 -10.198 395 HH22 ARG 50 2HH2 ARG 50 1.631 -7.887 -11.072 396 H GLU 51 H GLU 51 2.033 -0.919 -8.429 397 HA GLU 51 HA GLU 51 4.036 -2.006 -10.256 398 HB2 GLU 51 1HB GLU 51 1.661 -1.189 -10.777 399 HB3 GLU 51 2HB GLU 51 2.345 0.422 -10.806 400 HG2 GLU 51 1HG GLU 51 3.978 -0.280 -12.492 401 HG3 GLU 51 2HG GLU 51 3.270 -1.926 -12.467 402 H LYS 52 H LYS 52 3.805 1.142 -8.579 403 HA LYS 52 HA LYS 52 6.005 2.562 -9.744 404 HB2 LYS 52 1HB LYS 52 4.557 3.701 -8.388 405 HB3 LYS 52 2HB LYS 52 4.769 2.541 -7.029 406 HG2 LYS 52 1HG LYS 52 5.784 4.687 -6.545 407 HG3 LYS 52 2HG LYS 52 7.017 3.392 -6.661 408 HD2 LYS 52 1HD LYS 52 7.498 4.199 -9.012 409 HD3 LYS 52 2HD LYS 52 6.437 5.579 -8.693 410 HE2 LYS 52 1HE LYS 52 7.865 6.292 -6.818 411 HE3 LYS 52 2HE LYS 52 8.882 4.860 -7.010 412 HZ1 LYS 52 3HZ LYS 52 8.485 6.973 -9.020 413 HZ2 LYS 52 1HZ LYS 52 9.836 6.765 -8.042 414 HZ3 LYS 52 2HZ LYS 52 9.454 5.610 -9.202 415 H TRP 53 H TRP 53 6.067 0.377 -6.913 416 HA TRP 53 HA TRP 53 9.047 0.303 -7.033 417 HB2 TRP 53 1HB TRP 53 6.975 -0.613 -4.998 418 HB3 TRP 53 2HB TRP 53 8.645 -1.094 -4.861 419 HD1 TRP 53 HD1 TRP 53 6.401 1.962 -4.566 420 HE1 TRP 53 HE1 TRP 53 7.740 3.904 -3.563 421 HE3 TRP 53 HE3 TRP 53 10.898 -0.291 -4.501 422 HZ2 TRP 53 HZ2 TRP 53 10.439 4.356 -2.832 423 HZ3 TRP 53 HZ3 TRP 53 12.859 0.875 -3.506 424 HH2 TRP 53 HH2 TRP 53 12.621 3.206 -2.694 425 H ASP 54 H ASP 54 6.983 -1.195 -8.882 426 HA ASP 54 HA ASP 54 6.745 -3.314 -9.981 427 HB2 ASP 54 1HB ASP 54 9.604 -3.786 -9.302 428 HB3 ASP 54 2HB ASP 54 8.653 -4.268 -10.742 429 H LEU 55 H LEU 55 6.057 -3.276 -7.174 430 HA LEU 55 HA LEU 55 7.424 -5.298 -5.667 431 HB2 LEU 55 1HB LEU 55 5.592 -3.220 -5.278 432 HB3 LEU 55 2HB LEU 55 4.931 -4.707 -4.517 433 HG LEU 55 HG LEU 55 6.385 -3.151 -3.056 434 HD11 LEU 55 1HD1 LEU 55 7.420 -5.068 -1.926 435 HD12 LEU 55 2HD1 LEU 55 5.761 -5.456 -2.435 436 HD13 LEU 55 3HD1 LEU 55 7.145 -6.078 -3.364 437 HD21 LEU 55 3HD2 LEU 55 8.200 -2.696 -4.588 438 HD22 LEU 55 1HD2 LEU 55 8.768 -3.486 -3.098 439 HD23 LEU 55 2HD2 LEU 55 8.633 -4.423 -4.604 440 HA PRO 56 HA PRO 56 5.580 -8.982 -7.478 441 HB2 PRO 56 1HB PRO 56 6.656 -10.768 -5.767 442 HB3 PRO 56 2HB PRO 56 7.593 -10.024 -7.062 443 HG2 PRO 56 1HG PRO 56 7.472 -9.220 -4.113 444 HG3 PRO 56 2HG PRO 56 8.899 -9.434 -5.123 445 HD2 PRO 56 1HD PRO 56 7.778 -6.898 -4.756 446 HD3 PRO 56 2HD PRO 56 8.425 -7.365 -6.402 447 H VAL 57 H VAL 57 4.038 -10.263 -7.237 448 HA VAL 57 HA VAL 57 1.929 -10.932 -6.650 449 HB VAL 57 HB VAL 57 3.396 -12.330 -5.336 450 HG11 VAL 57 1HG1 VAL 57 3.189 -12.308 -2.895 451 HG12 VAL 57 2HG1 VAL 57 4.042 -10.860 -3.480 452 HG13 VAL 57 3HG1 VAL 57 2.341 -10.745 -2.970 453 HG21 VAL 57 3HG2 VAL 57 1.243 -12.968 -5.932 454 HG22 VAL 57 1HG2 VAL 57 1.582 -13.464 -4.257 455 HG23 VAL 57 2HG2 VAL 57 0.532 -12.062 -4.574 456 H ASP 58 H ASP 58 2.353 -8.011 -6.508 457 HA ASP 58 HA ASP 58 1.434 -5.996 -5.583 458 HB2 ASP 58 1HB ASP 58 -0.848 -5.823 -5.543 459 HB3 ASP 58 2HB ASP 58 -0.232 -6.659 -7.012 460 H TYR 59 H TYR 59 2.920 -6.804 -3.760 461 HA TYR 59 HA TYR 59 2.464 -7.791 -1.323 462 HB2 TYR 59 1HB TYR 59 4.354 -6.114 -2.284 463 HB3 TYR 59 2HB TYR 59 3.487 -4.928 -1.333 464 HD1 TYR 59 HD1 TYR 59 5.330 -8.096 -1.243 465 HD2 TYR 59 HD2 TYR 59 3.614 -4.927 1.092 466 HE1 TYR 59 HE1 TYR 59 6.405 -9.022 0.787 467 HE2 TYR 59 HE2 TYR 59 4.706 -5.844 3.124 468 HH TYR 59 HH TYR 59 6.005 -7.424 3.992 469 HA PRO 60 HA PRO 60 -1.202 -6.014 0.538 470 HB2 PRO 60 1HB PRO 60 -0.728 -6.628 3.151 471 HB3 PRO 60 2HB PRO 60 -1.270 -7.832 1.981 472 HG2 PRO 60 1HG PRO 60 1.583 -7.263 2.927 473 HG3 PRO 60 2HG PRO 60 0.780 -8.824 2.776 474 HD2 PRO 60 1HD PRO 60 2.422 -7.973 0.780 475 HD3 PRO 60 2HD PRO 60 0.926 -8.810 0.368 476 H MET 61 H MET 61 -1.818 -4.156 1.212 477 HA MET 61 HA MET 61 0.197 -2.213 2.431 478 HB2 MET 61 1HB MET 61 -2.245 -1.816 0.751 479 HB3 MET 61 2HB MET 61 -1.698 -0.567 1.833 480 HG2 MET 61 1HG MET 61 -0.708 -0.103 -0.185 481 HG3 MET 61 2HG MET 61 0.599 -0.851 0.789 482 HE1 MET 61 3HE MET 61 2.276 -2.020 -0.554 483 HE2 MET 61 1HE MET 61 2.008 -2.509 -2.244 484 HE3 MET 61 2HE MET 61 1.749 -0.818 -1.755 485 H VAL 62 H VAL 62 -0.954 -4.393 3.978 486 HA VAL 62 HA VAL 62 -2.243 -2.733 6.110 487 HB VAL 62 HB VAL 62 -3.317 -5.509 5.810 488 HG11 VAL 62 1HG1 VAL 62 -5.284 -4.391 6.833 489 HG12 VAL 62 2HG1 VAL 62 -3.813 -4.103 7.794 490 HG13 VAL 62 3HG1 VAL 62 -4.446 -2.824 6.730 491 HG21 VAL 62 3HG2 VAL 62 -3.689 -4.748 3.571 492 HG22 VAL 62 1HG2 VAL 62 -5.205 -4.841 4.498 493 HG23 VAL 62 2HG2 VAL 62 -4.451 -3.260 4.182 494 H ALA 63 H ALA 63 -2.198 -4.063 8.223 495 HA ALA 63 HA ALA 63 0.401 -4.696 9.142 496 HB1 ALA 63 3HB ALA 63 -2.256 -5.811 10.071 497 HB2 ALA 63 1HB ALA 63 -0.739 -5.760 11.002 498 HB3 ALA 63 2HB ALA 63 -1.552 -4.245 10.542 499 HA PRO 64 HA PRO 64 2.093 -8.174 7.354 500 HB2 PRO 64 1HB PRO 64 2.951 -9.608 9.529 501 HB3 PRO 64 2HB PRO 64 3.826 -8.264 8.659 502 HG2 PRO 64 1HG PRO 64 2.146 -8.116 11.235 503 HG3 PRO 64 2HG PRO 64 3.691 -7.331 10.924 504 HD2 PRO 64 1HD PRO 64 1.439 -5.883 10.583 505 HD3 PRO 64 2HD PRO 64 2.707 -5.742 9.369 506 H ALA 65 H ALA 65 0.208 -9.150 10.241 507 HA ALA 65 HA ALA 65 -1.050 -11.402 8.581 508 HB1 ALA 65 3HB ALA 65 -0.210 -11.488 11.457 509 HB2 ALA 65 1HB ALA 65 -1.096 -12.741 10.553 510 HB3 ALA 65 2HB ALA 65 0.570 -12.318 10.089 511 H TYR 66 H TYR 66 -2.078 -8.735 8.708 512 HA TYR 66 HA TYR 66 -4.148 -8.201 10.631 513 HB2 TYR 66 1HB TYR 66 -3.543 -6.546 9.161 514 HB3 TYR 66 2HB TYR 66 -3.865 -7.576 7.728 515 HD1 TYR 66 HD1 TYR 66 -5.612 -5.952 10.650 516 HD2 TYR 66 HD2 TYR 66 -5.884 -7.452 6.637 517 HE1 TYR 66 HE1 TYR 66 -7.959 -5.165 10.511 518 HE2 TYR 66 HE2 TYR 66 -8.232 -6.674 6.498 519 HH TYR 66 HH TYR 66 -9.422 -4.311 8.413 520 H ALA 67 H ALA 67 -4.590 -9.794 7.527 521 HA ALA 67 HA ALA 67 -6.289 -11.910 8.510 522 HB1 ALA 67 3HB ALA 67 -7.684 -9.703 6.955 523 HB2 ALA 67 1HB ALA 67 -8.374 -11.299 7.330 524 HB3 ALA 67 2HB ALA 67 -7.989 -10.165 8.645 525 H GLU 68 H GLU 68 -4.192 -12.415 7.413 526 HA GLU 68 HA GLU 68 -4.501 -13.406 4.663 527 HB2 GLU 68 1HB GLU 68 -2.992 -12.170 3.469 528 HB3 GLU 68 2HB GLU 68 -4.167 -11.019 4.196 529 HG2 GLU 68 1HG GLU 68 -2.542 -9.893 5.299 530 HG3 GLU 68 2HG GLU 68 -1.663 -11.363 5.733 531 H ALA 69 H ALA 69 -2.417 -14.187 3.808 532 HA ALA 69 HA ALA 69 -0.502 -15.580 3.941 533 HB1 ALA 69 3HB ALA 69 0.176 -13.853 6.262 534 HB2 ALA 69 1HB ALA 69 1.248 -14.983 5.401 535 HB3 ALA 69 2HB ALA 69 0.564 -13.581 4.545 536 H ARG 70 H ARG 70 -2.575 -16.878 4.521 537 HA ARG 70 HA ARG 70 -1.785 -18.885 6.539 538 HB2 ARG 70 1HB ARG 70 -3.024 -17.066 7.875 539 HB3 ARG 70 2HB ARG 70 -4.447 -17.402 6.940 540 HG2 ARG 70 1HG ARG 70 -4.186 -19.832 7.697 541 HG3 ARG 70 2HG ARG 70 -3.031 -19.178 8.886 542 HD2 ARG 70 1HD ARG 70 -5.055 -17.378 9.181 543 HD3 ARG 70 2HD ARG 70 -6.000 -18.797 8.695 544 HE ARG 70 HE ARG 70 -5.520 -19.826 10.717 545 HH11 ARG 70 1HH1 ARG 70 -3.342 -16.998 10.371 546 HH12 ARG 70 2HH1 ARG 70 -2.730 -17.177 12.037 547 HH21 ARG 70 1HH2 ARG 70 -4.697 -19.969 12.804 548 HH22 ARG 70 2HH2 ARG 70 -3.470 -18.802 13.367 549 H SER 71 H SER 71 -5.126 -18.304 5.608 550 HA SER 71 HA SER 71 -5.122 -20.814 3.977 551 HB2 SER 71 1HB SER 71 -6.746 -20.515 5.861 552 HB3 SER 71 2HB SER 71 -7.475 -19.165 4.956 553 HG SER 71 HG SER 71 -8.524 -20.561 3.711 554 H ARG 72 H ARG 72 -4.640 -20.520 2.019 555 HA ARG 72 HA ARG 72 -4.556 -19.755 -0.247 556 HB2 ARG 72 1HB ARG 72 -7.130 -20.095 0.317 557 HB3 ARG 72 2HB ARG 72 -7.148 -18.362 0.002 558 HG2 ARG 72 1HG ARG 72 -5.831 -18.882 -2.156 559 HG3 ARG 72 2HG ARG 72 -6.217 -20.573 -1.863 560 HD2 ARG 72 1HD ARG 72 -8.652 -19.982 -1.821 561 HD3 ARG 72 2HD ARG 72 -8.224 -18.312 -2.211 562 HE ARG 72 HE ARG 72 -8.431 -20.503 -4.025 563 HH11 ARG 72 1HH1 ARG 72 -6.402 -17.574 -3.563 564 HH12 ARG 72 2HH1 ARG 72 -5.927 -17.566 -5.283 565 HH21 ARG 72 1HH2 ARG 72 -7.797 -20.400 -6.144 566 HH22 ARG 72 2HH2 ARG 72 -6.693 -19.112 -6.696 567 H LEU 73 H LEU 73 -3.396 -18.111 1.849 568 HA LEU 73 HA LEU 73 -2.385 -16.009 2.201 569 HB2 LEU 73 1HB LEU 73 -2.013 -16.543 -0.383 570 HB3 LEU 73 2HB LEU 73 -2.739 -14.899 -0.396 571 HG LEU 73 HG LEU 73 -0.226 -14.813 -0.320 572 HD11 LEU 73 1HD1 LEU 73 0.054 -13.338 1.545 573 HD12 LEU 73 2HD1 LEU 73 -1.483 -12.983 0.721 574 HD13 LEU 73 3HD1 LEU 73 -1.485 -13.880 2.257 575 HD21 LEU 73 3HD2 LEU 73 0.209 -16.918 0.644 576 HD22 LEU 73 1HD2 LEU 73 1.007 -15.592 1.522 577 HD23 LEU 73 2HD2 LEU 73 -0.444 -16.365 2.205 578 H ALA 74 H ALA 74 -4.687 -14.939 -0.230 579 HA ALA 74 HA ALA 74 -6.887 -13.924 1.140 580 HB1 ALA 74 3HB ALA 74 -4.843 -11.756 1.232 581 HB2 ALA 74 1HB ALA 74 -6.596 -11.596 1.497 582 HB3 ALA 74 2HB ALA 74 -5.615 -12.585 2.605 583 H LYS 75 H LYS 75 -4.651 -11.930 -0.774 584 HA LYS 75 HA LYS 75 -4.897 -10.794 -2.861 585 HB2 LYS 75 1HB LYS 75 -5.160 -13.534 -3.372 586 HB3 LYS 75 2HB LYS 75 -6.289 -12.636 -4.407 587 HG2 LYS 75 1HG LYS 75 -4.131 -10.990 -4.687 588 HG3 LYS 75 2HG LYS 75 -3.257 -12.433 -4.301 589 HD2 LYS 75 1HD LYS 75 -3.362 -12.509 -6.630 590 HD3 LYS 75 2HD LYS 75 -4.696 -13.542 -6.226 591 HE2 LYS 75 1HE LYS 75 -5.071 -10.603 -6.704 592 HE3 LYS 75 2HE LYS 75 -5.038 -11.829 -8.010 593 HZ1 LYS 75 3HZ LYS 75 -6.923 -11.747 -5.753 594 HZ2 LYS 75 1HZ LYS 75 -7.247 -11.293 -7.339 595 HZ3 LYS 75 2HZ LYS 75 -6.892 -12.896 -6.979 596 H GLU 76 H GLU 76 -6.406 -10.279 -4.678 597 HA GLU 76 HA GLU 76 -8.349 -9.241 -5.502 598 HB2 GLU 76 1HB GLU 76 -9.222 -11.532 -4.683 599 HB3 GLU 76 2HB GLU 76 -10.069 -10.516 -3.473 600 HG2 GLU 76 1HG GLU 76 -10.224 -9.880 -6.404 601 HG3 GLU 76 2HG GLU 76 -11.267 -11.141 -5.673 602 H MET 77 H MET 77 -8.619 -7.221 -5.343 603 HA MET 77 HA MET 77 -7.758 -5.622 -3.217 604 HB2 MET 77 1HB MET 77 -8.135 -5.020 -5.699 605 HB3 MET 77 2HB MET 77 -9.800 -4.713 -5.294 606 HG2 MET 77 1HG MET 77 -9.125 -2.956 -3.694 607 HG3 MET 77 2HG MET 77 -7.440 -3.305 -3.979 608 HE1 MET 77 3HE MET 77 -6.697 -1.027 -4.665 609 HE2 MET 77 1HE MET 77 -7.610 0.055 -5.744 610 HE3 MET 77 2HE MET 77 -8.315 -0.457 -4.192 611 H GLY 78 H GLY 78 -11.163 -6.491 -3.920 612 HA2 GLY 78 1HA GLY 78 -12.997 -6.638 -2.522 613 HA3 GLY 78 2HA GLY 78 -11.908 -6.392 -1.118 614 H LEU 79 H LEU 79 -11.050 -4.100 -1.038 615 HA LEU 79 HA LEU 79 -11.496 -1.913 -0.277 616 HB2 LEU 79 1HB LEU 79 -13.355 -1.811 -2.633 617 HB3 LEU 79 2HB LEU 79 -12.990 -0.468 -1.605 618 HG LEU 79 HG LEU 79 -10.841 -2.056 -2.986 619 HD11 LEU 79 1HD1 LEU 79 -10.917 -0.249 -4.682 620 HD12 LEU 79 2HD1 LEU 79 -12.455 -1.144 -4.632 621 HD13 LEU 79 3HD1 LEU 79 -12.332 0.457 -3.865 622 HD21 LEU 79 3HD2 LEU 79 -10.097 -0.670 -1.092 623 HD22 LEU 79 1HD2 LEU 79 -9.543 0.006 -2.641 624 HD23 LEU 79 2HD2 LEU 79 -10.925 0.740 -1.793 625 H GLY 80 H GLY 80 -12.048 -2.560 1.703 626 HA2 GLY 80 1HA GLY 80 -14.454 -3.597 2.687 627 HA3 GLY 80 2HA GLY 80 -13.362 -2.520 3.612 628 H GLN 81 H GLN 81 -13.594 -0.153 2.951 629 HA GLN 81 HA GLN 81 -16.405 0.645 2.292 630 HB2 GLN 81 1HB GLN 81 -15.457 0.638 5.003 631 HB3 GLN 81 2HB GLN 81 -15.265 2.291 4.503 632 HG2 GLN 81 1HG GLN 81 -17.444 2.229 5.388 633 HG3 GLN 81 2HG GLN 81 -17.763 2.119 3.686 634 HE21 GLN 81 1HE2 GLN 81 -19.748 1.199 4.013 635 HE22 GLN 81 2HE2 GLN 81 -19.955 -0.425 4.722 636 H ARG 82 H ARG 82 -16.487 2.480 1.118 637 HA ARG 82 HA ARG 82 -14.107 4.335 1.119 638 HB2 ARG 82 1HB ARG 82 -13.959 2.840 -0.884 639 HB3 ARG 82 2HB ARG 82 -15.494 3.476 -1.437 640 HG2 ARG 82 1HG ARG 82 -14.554 5.750 -1.533 641 HG3 ARG 82 2HG ARG 82 -13.021 5.162 -0.896 642 HD2 ARG 82 1HD ARG 82 -12.626 3.815 -2.843 643 HD3 ARG 82 2HD ARG 82 -14.279 4.086 -3.439 644 HE ARG 82 HE ARG 82 -11.991 5.963 -3.538 645 HH11 ARG 82 1HH1 ARG 82 -15.552 5.695 -3.834 646 HH12 ARG 82 2HH1 ARG 82 -15.649 7.157 -4.851 647 HH21 ARG 82 1HH2 ARG 82 -12.214 7.826 -4.776 648 HH22 ARG 82 2HH2 ARG 82 -13.823 8.323 -5.364 649 H ARG 83 H ARG 83 -15.003 5.821 2.295 650 HA ARG 83 HA ARG 83 -16.923 7.739 1.272 651 HB2 ARG 83 1HB ARG 83 -18.570 5.867 1.930 652 HB3 ARG 83 2HB ARG 83 -18.075 6.115 3.585 653 HG2 ARG 83 1HG ARG 83 -18.670 8.665 3.082 654 HG3 ARG 83 2HG ARG 83 -19.626 7.968 1.792 655 HD2 ARG 83 1HD ARG 83 -21.057 8.140 3.647 656 HD3 ARG 83 2HD ARG 83 -20.640 6.415 3.543 657 HE ARG 83 HE ARG 83 -18.742 7.789 5.218 658 HH11 ARG 83 1HH1 ARG 83 -22.239 7.375 5.496 659 HH12 ARG 83 2HH1 ARG 83 -22.134 6.847 7.196 660 HH21 ARG 83 1HH2 ARG 83 -18.679 7.363 7.390 661 HH22 ARG 83 2HH2 ARG 83 -20.155 6.852 8.253 662 H LYS 84 H LYS 84 -15.898 6.209 4.327 663 HA LYS 84 HA LYS 84 -15.361 7.105 6.473 664 HB2 LYS 84 1HB LYS 84 -13.625 8.571 6.675 665 HB3 LYS 84 2HB LYS 84 -13.321 7.138 5.632 666 HG2 LYS 84 1HG LYS 84 -12.922 8.469 3.745 667 HG3 LYS 84 2HG LYS 84 -13.979 9.744 4.258 668 HD2 LYS 84 1HD LYS 84 -11.374 9.215 5.693 669 HD3 LYS 84 2HD LYS 84 -11.489 10.215 4.248 670 HE2 LYS 84 1HE LYS 84 -13.212 11.641 5.432 671 HE3 LYS 84 2HE LYS 84 -12.949 10.689 6.886 672 HZ1 LYS 84 3HZ LYS 84 -10.906 12.230 5.445 673 HZ2 LYS 84 1HZ LYS 84 -11.668 12.660 6.881 674 HZ3 LYS 84 2HZ LYS 84 -10.654 11.318 6.836 675 H ALA 85 H ALA 85 -14.791 9.579 7.412 676 HA ALA 85 HA ALA 85 -16.773 11.628 6.895 677 HB1 ALA 85 3HB ALA 85 -17.316 9.813 9.290 678 HB2 ALA 85 1HB ALA 85 -18.145 11.348 8.937 679 HB3 ALA 85 2HB ALA 85 -18.344 9.957 7.845 680 H ASN 86 H ASN 86 -16.798 13.234 8.725 681 HA ASN 86 HA ASN 86 -14.257 13.835 9.907 682 HB2 ASN 86 1HB ASN 86 -15.660 15.406 11.381 683 HB3 ASN 86 2HB ASN 86 -15.927 15.609 9.678 684 HD21 ASN 86 1HD2 ASN 86 -17.850 14.744 8.695 685 HD22 ASN 86 2HD2 ASN 86 -19.305 14.640 9.722 686 H ARG 87 H ARG 87 -13.239 12.460 11.094 687 HA ARG 87 HA ARG 87 -12.648 10.883 12.671 688 HB2 ARG 87 1HB ARG 87 -13.196 11.136 14.877 689 HB3 ARG 87 2HB ARG 87 -12.902 12.714 14.077 690 HG2 ARG 87 1HG ARG 87 -15.357 13.172 14.098 691 HG3 ARG 87 2HG ARG 87 -15.675 11.626 14.815 692 HD2 ARG 87 1HD ARG 87 -14.307 12.269 16.748 693 HD3 ARG 87 2HD ARG 87 -14.167 13.908 16.007 694 HE ARG 87 HE ARG 87 -16.644 12.597 17.080 695 HH11 ARG 87 1HH1 ARG 87 -15.301 15.475 15.413 696 HH12 ARG 87 2HH1 ARG 87 -16.810 16.394 15.652 697 HH21 ARG 87 1HH2 ARG 87 -18.515 13.788 17.260 698 HH22 ARG 87 2HH2 ARG 87 -18.572 15.469 16.664 Start of MODEL 7 1 H1 ALA 1 1H ALA 1 3.680 17.868 1.528 2 HA ALA 1 HA ALA 1 6.092 19.081 2.369 3 HB1 ALA 1 3HB ALA 1 4.139 18.564 4.615 4 HB2 ALA 1 1HB ALA 1 5.869 18.926 4.818 5 HB3 ALA 1 2HB ALA 1 4.787 20.133 4.082 6 H VAL 2 H VAL 2 4.950 16.553 1.118 7 HA VAL 2 HA VAL 2 6.390 14.505 2.753 8 HB VAL 2 HB VAL 2 3.913 13.976 1.093 9 HG11 VAL 2 1HG1 VAL 2 3.992 11.807 2.200 10 HG12 VAL 2 2HG1 VAL 2 5.479 12.075 1.257 11 HG13 VAL 2 3HG1 VAL 2 5.503 12.259 3.026 12 HG21 VAL 2 3HG2 VAL 2 3.309 15.326 2.998 13 HG22 VAL 2 1HG2 VAL 2 2.761 13.641 3.167 14 HG23 VAL 2 2HG2 VAL 2 4.180 14.210 4.077 15 H ASN 3 H ASN 3 4.946 14.247 -0.510 16 HA ASN 3 HA ASN 3 7.252 13.227 -1.755 17 HB2 ASN 3 1HB ASN 3 5.720 13.564 -3.851 18 HB3 ASN 3 2HB ASN 3 5.292 12.395 -2.643 19 HD21 ASN 3 1HD2 ASN 3 3.334 12.447 -1.808 20 HD22 ASN 3 2HD2 ASN 3 2.304 13.827 -1.828 21 H VAL 4 H VAL 4 7.881 15.879 -0.681 22 HA VAL 4 HA VAL 4 8.576 17.364 -3.170 23 HB VAL 4 HB VAL 4 6.725 18.470 -2.301 24 HG11 VAL 4 1HG1 VAL 4 6.759 19.685 -0.173 25 HG12 VAL 4 2HG1 VAL 4 6.806 17.925 0.093 26 HG13 VAL 4 3HG1 VAL 4 8.290 18.892 0.269 27 HG21 VAL 4 3HG2 VAL 4 8.323 19.694 -3.495 28 HG22 VAL 4 1HG2 VAL 4 7.652 20.685 -2.178 29 HG23 VAL 4 2HG2 VAL 4 9.280 19.984 -2.023 30 H GLU 5 H GLU 5 10.478 16.143 -3.097 31 HA GLU 5 HA GLU 5 12.702 15.606 -2.614 32 HB2 GLU 5 1HB GLU 5 12.617 17.963 -3.369 33 HB3 GLU 5 2HB GLU 5 12.739 18.429 -1.641 34 HG2 GLU 5 1HG GLU 5 14.946 17.184 -1.530 35 HG3 GLU 5 2HG GLU 5 14.837 16.858 -3.232 36 H LYS 6 H LYS 6 12.183 13.990 -1.022 37 HA LYS 6 HA LYS 6 13.411 14.181 1.521 38 HB2 LYS 6 1HB LYS 6 11.335 15.707 1.889 39 HB3 LYS 6 2HB LYS 6 10.464 14.179 1.990 40 HG2 LYS 6 1HG LYS 6 11.933 13.406 3.807 41 HG3 LYS 6 2HG LYS 6 12.954 14.822 3.642 42 HD2 LYS 6 1HD LYS 6 10.996 16.261 4.236 43 HD3 LYS 6 2HD LYS 6 10.048 14.788 4.509 44 HE2 LYS 6 1HE LYS 6 11.660 14.056 6.252 45 HE3 LYS 6 2HE LYS 6 12.658 15.475 5.955 46 HZ1 LYS 6 3HZ LYS 6 9.877 15.495 6.900 47 HZ2 LYS 6 1HZ LYS 6 11.255 15.762 7.825 48 HZ3 LYS 6 2HZ LYS 6 10.829 16.851 6.616 49 H GLN 7 H GLN 7 10.463 12.631 0.114 50 HA GLN 7 HA GLN 7 10.347 10.178 0.724 51 HB2 GLN 7 1HB GLN 7 10.844 11.058 -2.146 52 HB3 GLN 7 2HB GLN 7 10.094 9.504 -1.664 53 HG2 GLN 7 1HG GLN 7 8.206 10.691 -0.691 54 HG3 GLN 7 2HG GLN 7 8.962 12.256 -1.063 55 HE21 GLN 7 1HE2 GLN 7 9.193 12.891 -3.339 56 HE22 GLN 7 2HE2 GLN 7 8.189 12.107 -4.519 57 H LYS 8 H LYS 8 11.800 8.753 1.567 58 HA LYS 8 HA LYS 8 14.136 8.053 -0.125 59 HB2 LYS 8 1HB LYS 8 13.909 8.108 2.879 60 HB3 LYS 8 2HB LYS 8 15.253 7.381 1.994 61 HG2 LYS 8 1HG LYS 8 15.317 9.683 0.741 62 HG3 LYS 8 2HG LYS 8 14.420 10.255 2.184 63 HD2 LYS 8 1HD LYS 8 16.684 10.716 2.696 64 HD3 LYS 8 2HD LYS 8 16.378 9.203 3.541 65 HE2 LYS 8 1HE LYS 8 17.506 7.920 1.826 66 HE3 LYS 8 2HE LYS 8 17.594 9.316 0.752 67 HZ1 LYS 8 3HZ LYS 8 18.914 9.071 3.369 68 HZ2 LYS 8 1HZ LYS 8 19.643 8.925 1.861 69 HZ3 LYS 8 2HZ LYS 8 18.998 10.401 2.345 70 HA PRO 9 HA PRO 9 12.756 3.799 -0.429 71 HB2 PRO 9 1HB PRO 9 15.150 2.502 -0.595 72 HB3 PRO 9 2HB PRO 9 14.471 3.407 -1.949 73 HG2 PRO 9 1HG PRO 9 16.567 4.325 0.081 74 HG3 PRO 9 2HG PRO 9 16.604 4.495 -1.671 75 HD2 PRO 9 1HD PRO 9 15.690 6.585 -0.054 76 HD3 PRO 9 2HD PRO 9 14.842 6.237 -1.638 77 H ALA 10 H ALA 10 12.446 1.958 0.802 78 HA ALA 10 HA ALA 10 13.597 2.014 3.533 79 HB1 ALA 10 3HB ALA 10 10.698 1.612 2.759 80 HB2 ALA 10 1HB ALA 10 11.379 1.410 4.391 81 HB3 ALA 10 2HB ALA 10 11.387 3.011 3.615 82 H VAL 11 H VAL 11 15.059 0.522 2.746 83 HA VAL 11 HA VAL 11 16.058 -1.440 1.979 84 HB VAL 11 HB VAL 11 15.427 -3.504 2.656 85 HG11 VAL 11 1HG1 VAL 11 15.477 -3.105 5.058 86 HG12 VAL 11 2HG1 VAL 11 16.586 -1.992 4.223 87 HG13 VAL 11 3HG1 VAL 11 15.013 -1.404 4.808 88 HG21 VAL 11 3HG2 VAL 11 13.161 -3.662 2.287 89 HG22 VAL 11 1HG2 VAL 11 13.600 -4.080 3.960 90 HG23 VAL 11 2HG2 VAL 11 12.823 -2.518 3.608 91 H SER 12 H SER 12 16.214 -2.963 0.377 92 HA SER 12 HA SER 12 14.482 -2.686 -1.935 93 HB2 SER 12 1HB SER 12 16.915 -3.230 -2.108 94 HB3 SER 12 2HB SER 12 16.585 -4.797 -1.336 95 HG SER 12 HG SER 12 16.551 -4.995 -3.664 96 H VAL 13 H VAL 13 13.258 -4.535 -2.829 97 HA VAL 13 HA VAL 13 11.382 -5.809 -1.106 98 HB VAL 13 HB VAL 13 10.846 -5.317 -3.293 99 HG11 VAL 13 1HG1 VAL 13 11.608 -6.669 -5.193 100 HG12 VAL 13 2HG1 VAL 13 12.948 -5.725 -4.501 101 HG13 VAL 13 3HG1 VAL 13 12.814 -7.465 -4.157 102 HG21 VAL 13 3HG2 VAL 13 9.636 -6.989 -2.102 103 HG22 VAL 13 1HG2 VAL 13 9.758 -7.428 -3.822 104 HG23 VAL 13 2HG2 VAL 13 10.782 -8.247 -2.620 105 H ARG 14 H ARG 14 11.828 -6.983 0.430 106 HA ARG 14 HA ARG 14 12.762 -9.692 0.223 107 HB2 ARG 14 1HB ARG 14 14.578 -9.601 1.796 108 HB3 ARG 14 2HB ARG 14 14.927 -8.809 0.222 109 HG2 ARG 14 1HG ARG 14 14.478 -6.565 1.454 110 HG3 ARG 14 2HG ARG 14 14.546 -7.467 2.939 111 HD2 ARG 14 1HD ARG 14 16.659 -6.567 2.596 112 HD3 ARG 14 2HD ARG 14 16.810 -8.305 2.222 113 HE ARG 14 HE ARG 14 16.111 -6.838 -0.162 114 HH11 ARG 14 1HH1 ARG 14 18.907 -7.780 1.782 115 HH12 ARG 14 2HH1 ARG 14 20.051 -7.305 0.569 116 HH21 ARG 14 1HH2 ARG 14 17.624 -6.490 -1.761 117 HH22 ARG 14 2HH2 ARG 14 19.321 -6.539 -1.409 118 H LYS 15 H LYS 15 12.750 -7.138 2.784 119 HA LYS 15 HA LYS 15 10.408 -8.414 4.096 120 HB2 LYS 15 1HB LYS 15 12.787 -6.924 5.198 121 HB3 LYS 15 2HB LYS 15 11.279 -7.204 6.125 122 HG2 LYS 15 1HG LYS 15 11.632 -9.662 5.897 123 HG3 LYS 15 2HG LYS 15 13.128 -9.370 5.021 124 HD2 LYS 15 1HD LYS 15 12.695 -8.261 7.836 125 HD3 LYS 15 2HD LYS 15 13.361 -9.842 7.555 126 HE2 LYS 15 1HE LYS 15 15.260 -8.913 6.372 127 HE3 LYS 15 2HE LYS 15 14.553 -7.296 6.420 128 HZ1 LYS 15 3HZ LYS 15 15.305 -8.920 8.757 129 HZ2 LYS 15 1HZ LYS 15 16.154 -7.611 8.132 130 HZ3 LYS 15 2HZ LYS 15 14.631 -7.380 8.804 131 H SER 16 H SER 16 9.067 -7.143 2.533 132 HA SER 16 HA SER 16 8.663 -4.327 3.032 133 HB2 SER 16 1HB SER 16 6.427 -4.761 2.046 134 HB3 SER 16 2HB SER 16 7.758 -5.322 1.031 135 HG SER 16 HG SER 16 5.930 -6.821 1.302 136 H VAL 17 H VAL 17 7.661 -7.327 4.480 137 HA VAL 17 HA VAL 17 6.064 -6.143 6.623 138 HB VAL 17 HB VAL 17 6.565 -8.858 5.369 139 HG11 VAL 17 1HG1 VAL 17 5.165 -9.992 7.028 140 HG12 VAL 17 2HG1 VAL 17 6.657 -9.367 7.768 141 HG13 VAL 17 3HG1 VAL 17 5.116 -8.512 8.014 142 HG21 VAL 17 3HG2 VAL 17 4.811 -7.449 4.424 143 HG22 VAL 17 1HG2 VAL 17 4.100 -8.882 5.205 144 HG23 VAL 17 2HG2 VAL 17 4.038 -7.302 6.021 145 H GLN 18 H GLN 18 6.967 -5.803 8.592 146 HA GLN 18 HA GLN 18 9.357 -7.366 9.428 147 HB2 GLN 18 1HB GLN 18 8.491 -4.650 10.438 148 HB3 GLN 18 2HB GLN 18 10.066 -5.493 10.678 149 HG2 GLN 18 1HG GLN 18 9.099 -4.364 8.060 150 HG3 GLN 18 2HG GLN 18 10.161 -3.505 9.226 151 HE21 GLN 18 1HE2 GLN 18 10.852 -3.895 6.550 152 HE22 GLN 18 2HE2 GLN 18 12.222 -4.953 6.550 153 H ASP 19 H ASP 19 9.267 -6.732 12.141 154 HA ASP 19 HA ASP 19 7.264 -8.364 13.385 155 HB2 ASP 19 1HB ASP 19 9.192 -6.320 14.434 156 HB3 ASP 19 2HB ASP 19 8.147 -7.380 15.443 157 H ASP 20 H ASP 20 5.305 -7.496 12.398 158 HA ASP 20 HA ASP 20 3.324 -6.445 12.461 159 HB2 ASP 20 1HB ASP 20 4.027 -6.112 15.313 160 HB3 ASP 20 2HB ASP 20 2.537 -5.446 14.622 161 H HIS 21 H HIS 21 5.682 -4.909 11.545 162 HA HIS 21 HA HIS 21 4.368 -2.314 11.379 163 HB2 HIS 21 1HB HIS 21 6.409 -1.059 11.651 164 HB3 HIS 21 2HB HIS 21 5.849 -1.876 13.152 165 HD1 HIS 21 HD1 HIS 21 7.465 -3.885 13.989 166 HD2 HIS 21 HD2 HIS 21 8.822 -1.547 10.864 167 HE1 HIS 21 HE1 HIS 21 10.016 -4.044 14.048 168 H ILE 22 H ILE 22 4.307 -1.726 9.317 169 HA ILE 22 HA ILE 22 5.913 -3.212 7.321 170 HB ILE 22 HB ILE 22 3.564 -3.681 7.268 171 HG12 ILE 22 1HG1 ILE 22 3.924 -2.218 4.749 172 HG13 ILE 22 2HG1 ILE 22 5.248 -3.296 5.219 173 HG21 ILE 22 1HG2 ILE 22 1.927 -2.046 6.450 174 HG22 ILE 22 2HG2 ILE 22 2.572 -1.567 8.038 175 HG23 ILE 22 3HG2 ILE 22 3.146 -0.754 6.563 176 HD11 ILE 22 3HD1 ILE 22 2.304 -4.057 5.077 177 HD12 ILE 22 1HD1 ILE 22 3.558 -4.496 3.893 178 HD13 ILE 22 2HD1 ILE 22 3.634 -5.140 5.551 179 H VAL 23 H VAL 23 7.207 -2.066 5.960 180 HA VAL 23 HA VAL 23 7.909 0.657 6.909 181 HB VAL 23 HB VAL 23 9.438 -1.253 7.039 182 HG11 VAL 23 1HG1 VAL 23 10.808 -1.786 5.081 183 HG12 VAL 23 2HG1 VAL 23 9.128 -2.326 4.854 184 HG13 VAL 23 3HG1 VAL 23 9.706 -0.852 4.042 185 HG21 VAL 23 3HG2 VAL 23 10.073 0.906 7.493 186 HG22 VAL 23 1HG2 VAL 23 11.341 0.090 6.546 187 HG23 VAL 23 2HG2 VAL 23 10.276 1.284 5.767 188 H CYS 24 H CYS 24 7.433 2.423 5.823 189 HA CYS 24 HA CYS 24 5.963 2.285 3.424 190 HB2 CYS 24 1HB CYS 24 5.556 3.942 5.204 191 HB3 CYS 24 2HB CYS 24 7.089 4.735 4.792 192 H LEU 25 H LEU 25 7.213 1.461 1.696 193 HA LEU 25 HA LEU 25 9.748 2.379 0.878 194 HB2 LEU 25 1HB LEU 25 7.413 1.142 -0.507 195 HB3 LEU 25 2HB LEU 25 8.823 1.763 -1.441 196 HG LEU 25 HG LEU 25 9.075 -0.668 -1.134 197 HD11 LEU 25 1HD1 LEU 25 11.199 -0.772 -0.154 198 HD12 LEU 25 2HD1 LEU 25 11.035 0.626 -1.241 199 HD13 LEU 25 3HD1 LEU 25 11.005 0.861 0.523 200 HD21 LEU 25 3HD2 LEU 25 7.654 -0.977 0.834 201 HD22 LEU 25 1HD2 LEU 25 9.270 -1.704 1.003 202 HD23 LEU 25 2HD2 LEU 25 8.891 -0.175 1.831 203 H GLU 26 H GLU 26 10.417 4.064 -0.349 204 HA GLU 26 HA GLU 26 10.560 6.241 -1.163 205 HB2 GLU 26 1HB GLU 26 8.585 5.118 -2.536 206 HB3 GLU 26 2HB GLU 26 7.697 6.446 -1.718 207 HG2 GLU 26 1HG GLU 26 9.141 8.114 -2.744 208 HG3 GLU 26 2HG GLU 26 10.235 6.892 -3.358 209 H CYS 27 H CYS 27 9.740 5.689 1.830 210 HA CYS 27 HA CYS 27 9.128 8.494 2.299 211 HB2 CYS 27 1HB CYS 27 6.977 6.960 2.323 212 HB3 CYS 27 2HB CYS 27 7.567 6.569 3.950 213 H GLY 28 H GLY 28 9.594 5.180 3.889 214 HA2 GLY 28 1HA GLY 28 11.669 4.715 5.067 215 HA3 GLY 28 2HA GLY 28 11.719 6.362 5.636 216 H GLY 29 H GLY 29 9.176 6.869 6.591 217 HA2 GLY 29 1HA GLY 29 9.058 5.784 9.162 218 HA3 GLY 29 2HA GLY 29 7.697 6.482 8.338 219 H SER 30 H SER 30 7.987 4.237 10.243 220 HA SER 30 HA SER 30 6.744 2.053 8.624 221 HB2 SER 30 1HB SER 30 9.073 1.549 9.438 222 HB3 SER 30 2HB SER 30 8.449 1.691 11.094 223 HG SER 30 HG SER 30 8.448 -0.496 10.205 224 H PHE 31 H PHE 31 5.083 0.963 9.538 225 HA PHE 31 HA PHE 31 3.751 1.631 12.062 226 HB2 PHE 31 1HB PHE 31 1.732 2.510 10.824 227 HB3 PHE 31 2HB PHE 31 3.096 3.630 11.154 228 HD1 PHE 31 HD1 PHE 31 2.701 1.188 8.219 229 HD2 PHE 31 HD2 PHE 31 2.785 5.257 9.597 230 HE1 PHE 31 HE1 PHE 31 3.780 1.883 6.121 231 HE2 PHE 31 HE2 PHE 31 3.505 5.985 7.350 232 HZ PHE 31 HZ PHE 31 3.883 4.294 5.577 233 H LYS 32 H LYS 32 1.570 0.603 12.205 234 HA LYS 32 HA LYS 32 1.565 -2.002 11.012 235 HB2 LYS 32 1HB LYS 32 0.791 -1.136 13.365 236 HB3 LYS 32 2HB LYS 32 -0.746 -0.857 12.556 237 HG2 LYS 32 1HG LYS 32 0.191 -3.486 11.783 238 HG3 LYS 32 2HG LYS 32 0.298 -3.352 13.521 239 HD2 LYS 32 1HD LYS 32 -2.181 -2.308 12.279 240 HD3 LYS 32 2HD LYS 32 -1.901 -4.077 12.238 241 HE2 LYS 32 1HE LYS 32 -3.206 -3.595 14.244 242 HE3 LYS 32 2HE LYS 32 -1.591 -3.963 14.784 243 HZ1 LYS 32 3HZ LYS 32 -2.705 -1.286 14.422 244 HZ2 LYS 32 1HZ LYS 32 -2.470 -2.109 15.870 245 HZ3 LYS 32 2HZ LYS 32 -1.146 -1.641 14.943 246 H SER 33 H SER 33 0.472 0.952 9.665 247 HA SER 33 HA SER 33 -1.205 -0.471 7.717 248 HB2 SER 33 1HB SER 33 -2.950 1.314 7.882 249 HB3 SER 33 2HB SER 33 -2.874 0.189 9.240 250 HG SER 33 HG SER 33 -3.030 2.575 9.701 251 H LEU 34 H LEU 34 0.314 -0.192 6.112 252 HA LEU 34 HA LEU 34 1.342 2.405 5.258 253 HB2 LEU 34 1HB LEU 34 2.552 0.356 5.049 254 HB3 LEU 34 2HB LEU 34 1.318 -0.197 3.849 255 HG LEU 34 HG LEU 34 3.660 0.761 3.146 256 HD11 LEU 34 1HD1 LEU 34 2.683 1.383 0.995 257 HD12 LEU 34 2HD1 LEU 34 1.995 -0.126 1.641 258 HD13 LEU 34 3HD1 LEU 34 1.066 1.389 1.735 259 HD21 LEU 34 3HD2 LEU 34 3.443 2.978 4.177 260 HD22 LEU 34 1HD2 LEU 34 3.526 3.092 2.403 261 HD23 LEU 34 2HD2 LEU 34 1.963 3.275 3.235 262 H LYS 35 H LYS 35 -1.398 0.267 4.200 263 HA LYS 35 HA LYS 35 -2.191 1.410 1.909 264 HB2 LYS 35 1HB LYS 35 -3.341 -0.482 2.881 265 HB3 LYS 35 2HB LYS 35 -4.110 0.569 4.078 266 HG2 LYS 35 1HG LYS 35 -5.170 1.865 2.286 267 HG3 LYS 35 2HG LYS 35 -4.382 0.808 1.066 268 HD2 LYS 35 1HD LYS 35 -5.696 -1.035 1.686 269 HD3 LYS 35 2HD LYS 35 -6.312 -0.189 3.147 270 HE2 LYS 35 1HE LYS 35 -7.663 1.322 1.823 271 HE3 LYS 35 2HE LYS 35 -6.736 1.031 0.369 272 HZ1 LYS 35 3HZ LYS 35 -8.545 -0.874 1.659 273 HZ2 LYS 35 1HZ LYS 35 -8.843 0.035 0.277 274 HZ3 LYS 35 2HZ LYS 35 -7.654 -1.154 0.261 275 H ARG 36 H ARG 36 -3.693 2.603 4.977 276 HA ARG 36 HA ARG 36 -5.037 4.830 3.986 277 HB2 ARG 36 1HB ARG 36 -3.888 4.279 6.706 278 HB3 ARG 36 2HB ARG 36 -5.000 5.607 6.312 279 HG2 ARG 36 1HG ARG 36 -6.752 4.146 5.752 280 HG3 ARG 36 2HG ARG 36 -5.643 2.752 5.554 281 HD2 ARG 36 1HD ARG 36 -6.847 2.334 7.521 282 HD3 ARG 36 2HD ARG 36 -5.239 2.923 8.056 283 HE ARG 36 HE ARG 36 -6.257 4.614 9.170 284 HH11 ARG 36 1HH1 ARG 36 -8.499 3.967 6.482 285 HH12 ARG 36 2HH1 ARG 36 -9.786 4.836 7.246 286 HH21 ARG 36 1HH2 ARG 36 -7.990 5.725 10.053 287 HH22 ARG 36 2HH2 ARG 36 -9.473 5.856 9.174 288 H HIS 37 H HIS 37 -1.872 4.875 5.639 289 HA HIS 37 HA HIS 37 -1.080 7.516 5.246 290 HB2 HIS 37 1HB HIS 37 0.176 6.224 6.659 291 HB3 HIS 37 2HB HIS 37 0.486 4.981 5.405 292 HD1 HIS 37 HD1 HIS 37 1.498 8.503 6.458 293 HD2 HIS 37 HD2 HIS 37 2.688 5.440 3.805 294 HE1 HIS 37 HE1 HIS 37 3.781 9.188 5.500 295 H LEU 38 H LEU 38 -0.530 4.707 3.020 296 HA LEU 38 HA LEU 38 0.872 5.916 0.972 297 HB2 LEU 38 1HB LEU 38 0.164 3.492 1.491 298 HB3 LEU 38 2HB LEU 38 -1.222 3.884 0.414 299 HG LEU 38 HG LEU 38 0.662 2.705 -0.746 300 HD11 LEU 38 1HD1 LEU 38 0.736 4.074 -2.686 301 HD12 LEU 38 2HD1 LEU 38 -0.907 3.940 -2.014 302 HD13 LEU 38 3HD1 LEU 38 0.032 5.433 -1.776 303 HD21 LEU 38 3HD2 LEU 38 2.530 3.699 0.523 304 HD22 LEU 38 1HD2 LEU 38 2.705 3.958 -1.229 305 HD23 LEU 38 2HD2 LEU 38 2.156 5.289 -0.183 306 H THR 39 H THR 39 -2.701 5.257 0.795 307 HA THR 39 HA THR 39 -3.401 6.970 -1.319 308 HB THR 39 HB THR 39 -5.287 6.371 0.912 309 HG1 THR 39 HG1 THR 39 -5.515 4.280 -0.289 310 HG21 THR 39 3HG2 THR 39 -5.442 6.297 -2.120 311 HG22 THR 39 1HG2 THR 39 -6.779 6.002 -0.983 312 HG23 THR 39 2HG2 THR 39 -6.037 7.616 -1.083 313 H THR 40 H THR 40 -3.268 7.855 2.193 314 HA THR 40 HA THR 40 -4.179 10.478 1.895 315 HB THR 40 HB THR 40 -2.305 9.292 3.946 316 HG1 THR 40 HG1 THR 40 -4.322 9.009 5.107 317 HG21 THR 40 3HG2 THR 40 -4.094 11.738 4.168 318 HG22 THR 40 1HG2 THR 40 -3.168 10.991 5.491 319 HG23 THR 40 2HG2 THR 40 -2.315 11.744 4.123 320 H HIS 41 H HIS 41 -0.738 9.333 1.918 321 HA HIS 41 HA HIS 41 0.177 12.118 1.599 322 HB2 HIS 41 1HB HIS 41 1.469 9.644 2.672 323 HB3 HIS 41 2HB HIS 41 2.447 10.976 2.127 324 HD1 HIS 41 HD1 HIS 41 -0.630 12.359 3.568 325 HD2 HIS 41 HD2 HIS 41 3.051 10.945 4.813 326 HE1 HIS 41 HE1 HIS 41 -0.221 13.384 5.877 327 H HIS 42 H HIS 42 1.914 9.257 0.360 328 HA HIS 42 HA HIS 42 2.508 10.122 -2.167 329 HB2 HIS 42 1HB HIS 42 1.896 7.261 -1.675 330 HB3 HIS 42 2HB HIS 42 3.206 8.036 -2.621 331 HD1 HIS 42 HD1 HIS 42 5.395 8.559 -1.448 332 HD2 HIS 42 HD2 HIS 42 2.348 7.216 1.149 333 HE1 HIS 42 HE1 HIS 42 6.493 8.123 0.832 334 H SER 43 H SER 43 -0.677 8.889 -0.991 335 HA SER 43 HA SER 43 -2.763 9.031 -1.924 336 HB2 SER 43 1HB SER 43 -1.620 10.283 -4.414 337 HB3 SER 43 2HB SER 43 -3.306 10.129 -3.971 338 HG SER 43 HG SER 43 -1.266 11.705 -2.750 339 H MET 44 H MET 44 -3.717 8.183 -4.361 340 HA MET 44 HA MET 44 -3.875 6.620 -5.989 341 HB2 MET 44 1HB MET 44 -1.059 5.787 -5.352 342 HB3 MET 44 2HB MET 44 -2.059 5.251 -6.739 343 HG2 MET 44 1HG MET 44 -2.030 7.554 -7.661 344 HG3 MET 44 2HG MET 44 -1.162 8.146 -6.275 345 HE1 MET 44 3HE MET 44 1.001 5.847 -5.724 346 HE2 MET 44 1HE MET 44 2.356 6.457 -6.703 347 HE3 MET 44 2HE MET 44 1.377 7.587 -5.738 348 H THR 45 H THR 45 -4.113 4.308 -6.393 349 HA THR 45 HA THR 45 -5.245 2.850 -4.143 350 HB THR 45 HB THR 45 -5.664 1.090 -5.816 351 HG1 THR 45 HG1 THR 45 -5.253 1.695 -8.040 352 HG21 THR 45 3HG2 THR 45 -6.492 3.866 -6.700 353 HG22 THR 45 1HG2 THR 45 -7.263 2.326 -7.147 354 HG23 THR 45 2HG2 THR 45 -7.309 2.885 -5.459 355 HA PRO 46 HA PRO 46 -1.921 0.428 -2.627 356 HB2 PRO 46 1HB PRO 46 -3.090 -2.031 -2.587 357 HB3 PRO 46 2HB PRO 46 -3.093 -0.745 -1.288 358 HG2 PRO 46 1HG PRO 46 -5.267 -1.392 -3.369 359 HG3 PRO 46 2HG PRO 46 -5.501 -0.968 -1.673 360 HD2 PRO 46 1HD PRO 46 -5.789 0.955 -3.559 361 HD3 PRO 46 2HD PRO 46 -4.971 1.355 -2.050 362 H GLU 47 H GLU 47 -3.652 -1.644 -5.101 363 HA GLU 47 HA GLU 47 -1.392 -2.840 -6.119 364 HB2 GLU 47 1HB GLU 47 -4.081 -2.501 -7.237 365 HB3 GLU 47 2HB GLU 47 -2.776 -3.035 -8.296 366 HG2 GLU 47 1HG GLU 47 -3.174 -5.113 -7.439 367 HG3 GLU 47 2HG GLU 47 -2.341 -4.561 -5.995 368 H GLU 48 H GLU 48 -2.588 0.451 -7.167 369 HA GLU 48 HA GLU 48 -0.895 0.687 -9.459 370 HB2 GLU 48 1HB GLU 48 -2.841 2.236 -8.381 371 HB3 GLU 48 2HB GLU 48 -1.395 3.135 -7.924 372 HG2 GLU 48 1HG GLU 48 -2.096 3.904 -10.145 373 HG3 GLU 48 2HG GLU 48 -0.630 2.990 -10.368 374 H TYR 49 H TYR 49 -0.394 1.608 -6.032 375 HA TYR 49 HA TYR 49 2.362 2.555 -6.260 376 HB2 TYR 49 1HB TYR 49 1.058 3.066 -4.282 377 HB3 TYR 49 2HB TYR 49 0.864 1.382 -3.900 378 HD1 TYR 49 HD1 TYR 49 2.748 0.024 -3.113 379 HD2 TYR 49 HD2 TYR 49 3.174 4.222 -3.905 380 HE1 TYR 49 HE1 TYR 49 4.597 0.133 -1.497 381 HE2 TYR 49 HE2 TYR 49 5.072 4.324 -2.331 382 HH TYR 49 HH TYR 49 5.933 3.320 -0.483 383 H ARG 50 H ARG 50 1.154 -0.827 -5.558 384 HA ARG 50 HA ARG 50 3.654 -2.025 -5.171 385 HB2 ARG 50 1HB ARG 50 2.779 -3.953 -5.238 386 HB3 ARG 50 2HB ARG 50 1.327 -2.929 -4.913 387 HG2 ARG 50 1HG ARG 50 0.502 -4.539 -6.412 388 HG3 ARG 50 2HG ARG 50 0.897 -3.235 -7.496 389 HD2 ARG 50 1HD ARG 50 2.948 -4.324 -8.190 390 HD3 ARG 50 2HD ARG 50 2.793 -5.544 -6.938 391 HE ARG 50 HE ARG 50 1.297 -6.694 -8.213 392 HH11 ARG 50 1HH1 ARG 50 1.779 -3.571 -9.833 393 HH12 ARG 50 2HH1 ARG 50 0.713 -3.985 -11.137 394 HH21 ARG 50 1HH2 ARG 50 0.057 -7.183 -10.000 395 HH22 ARG 50 2HH2 ARG 50 -0.230 -5.992 -11.221 396 H GLU 51 H GLU 51 2.097 -1.164 -8.305 397 HA GLU 51 HA GLU 51 4.045 -2.330 -10.072 398 HB2 GLU 51 1HB GLU 51 1.691 -1.614 -10.621 399 HB3 GLU 51 2HB GLU 51 2.276 0.034 -10.635 400 HG2 GLU 51 1HG GLU 51 3.816 -0.435 -12.432 401 HG3 GLU 51 2HG GLU 51 3.542 -2.170 -12.302 402 H LYS 52 H LYS 52 3.941 0.934 -8.499 403 HA LYS 52 HA LYS 52 6.120 2.169 -9.802 404 HB2 LYS 52 1HB LYS 52 4.682 3.437 -8.516 405 HB3 LYS 52 2HB LYS 52 4.943 2.409 -7.063 406 HG2 LYS 52 1HG LYS 52 6.015 4.570 -6.825 407 HG3 LYS 52 2HG LYS 52 7.225 3.251 -6.889 408 HD2 LYS 52 1HD LYS 52 7.589 3.837 -9.325 409 HD3 LYS 52 2HD LYS 52 6.560 5.253 -9.082 410 HE2 LYS 52 1HE LYS 52 8.099 6.101 -7.336 411 HE3 LYS 52 2HE LYS 52 9.103 4.661 -7.492 412 HZ1 LYS 52 3HZ LYS 52 8.569 6.627 -9.613 413 HZ2 LYS 52 1HZ LYS 52 9.979 6.483 -8.707 414 HZ3 LYS 52 2HZ LYS 52 9.528 5.253 -9.762 415 H TRP 53 H TRP 53 6.206 0.373 -6.652 416 HA TRP 53 HA TRP 53 9.066 0.037 -6.822 417 HB2 TRP 53 1HB TRP 53 6.908 -0.786 -4.849 418 HB3 TRP 53 2HB TRP 53 8.575 -1.301 -4.659 419 HD1 TRP 53 HD1 TRP 53 6.389 1.840 -4.503 420 HE1 TRP 53 HE1 TRP 53 7.816 3.831 -3.840 421 HE3 TRP 53 HE3 TRP 53 10.832 -0.519 -4.248 422 HZ2 TRP 53 HZ2 TRP 53 10.528 4.285 -3.108 423 HZ3 TRP 53 HZ3 TRP 53 12.822 0.676 -3.378 424 HH2 TRP 53 HH2 TRP 53 12.666 3.093 -2.833 425 H ASP 54 H ASP 54 7.052 -1.473 -8.789 426 HA ASP 54 HA ASP 54 6.365 -3.578 -9.368 427 HB2 ASP 54 1HB ASP 54 8.391 -4.820 -10.233 428 HB3 ASP 54 2HB ASP 54 7.674 -3.349 -10.970 429 H LEU 55 H LEU 55 6.050 -3.706 -6.738 430 HA LEU 55 HA LEU 55 7.571 -5.686 -5.221 431 HB2 LEU 55 1HB LEU 55 5.852 -3.531 -4.789 432 HB3 LEU 55 2HB LEU 55 5.046 -5.004 -4.147 433 HG LEU 55 HG LEU 55 6.366 -3.849 -2.374 434 HD11 LEU 55 1HD1 LEU 55 7.575 -5.692 -1.539 435 HD12 LEU 55 2HD1 LEU 55 5.978 -6.168 -2.164 436 HD13 LEU 55 3HD1 LEU 55 7.445 -6.524 -3.107 437 HD21 LEU 55 3HD2 LEU 55 8.092 -2.819 -3.790 438 HD22 LEU 55 1HD2 LEU 55 8.774 -3.784 -2.459 439 HD23 LEU 55 2HD2 LEU 55 8.768 -4.432 -4.116 440 HA PRO 56 HA PRO 56 5.490 -9.267 -7.076 441 HB2 PRO 56 1HB PRO 56 6.748 -11.099 -5.535 442 HB3 PRO 56 2HB PRO 56 7.486 -10.384 -6.966 443 HG2 PRO 56 1HG PRO 56 7.860 -9.577 -4.041 444 HG3 PRO 56 2HG PRO 56 9.101 -9.822 -5.267 445 HD2 PRO 56 1HD PRO 56 8.130 -7.259 -4.735 446 HD3 PRO 56 2HD PRO 56 8.450 -7.745 -6.472 447 H VAL 57 H VAL 57 4.069 -10.774 -6.514 448 HA VAL 57 HA VAL 57 2.010 -11.267 -5.812 449 HB VAL 57 HB VAL 57 3.544 -12.563 -4.458 450 HG11 VAL 57 1HG1 VAL 57 3.427 -12.337 -2.023 451 HG12 VAL 57 2HG1 VAL 57 4.263 -10.947 -2.757 452 HG13 VAL 57 3HG1 VAL 57 2.583 -10.780 -2.197 453 HG21 VAL 57 3HG2 VAL 57 1.362 -13.227 -4.920 454 HG22 VAL 57 1HG2 VAL 57 1.762 -13.589 -3.224 455 HG23 VAL 57 2HG2 VAL 57 0.712 -12.207 -3.616 456 H ASP 58 H ASP 58 2.729 -8.203 -5.643 457 HA ASP 58 HA ASP 58 1.728 -6.209 -4.982 458 HB2 ASP 58 1HB ASP 58 -0.632 -6.108 -4.997 459 HB3 ASP 58 2HB ASP 58 0.163 -6.748 -6.478 460 H TYR 59 H TYR 59 3.072 -7.107 -2.988 461 HA TYR 59 HA TYR 59 2.253 -8.186 -0.674 462 HB2 TYR 59 1HB TYR 59 3.973 -7.231 0.382 463 HB3 TYR 59 2HB TYR 59 4.418 -6.967 -1.338 464 HD1 TYR 59 HD1 TYR 59 3.848 -4.617 -2.332 465 HD2 TYR 59 HD2 TYR 59 3.795 -5.464 1.874 466 HE1 TYR 59 HE1 TYR 59 4.120 -2.211 -1.850 467 HE2 TYR 59 HE2 TYR 59 4.051 -3.070 2.367 468 HH TYR 59 HH TYR 59 4.464 -1.059 1.541 469 HA PRO 60 HA PRO 60 -1.266 -6.091 1.070 470 HB2 PRO 60 1HB PRO 60 -1.037 -6.958 3.664 471 HB3 PRO 60 2HB PRO 60 -1.679 -7.975 2.374 472 HG2 PRO 60 1HG PRO 60 1.155 -7.915 3.508 473 HG3 PRO 60 2HG PRO 60 0.155 -9.320 3.144 474 HD2 PRO 60 1HD PRO 60 2.059 -8.387 1.309 475 HD3 PRO 60 2HD PRO 60 0.451 -9.024 0.706 476 H MET 61 H MET 61 -1.262 -4.010 1.349 477 HA MET 61 HA MET 61 0.724 -2.501 2.610 478 HB2 MET 61 1HB MET 61 -2.107 -1.874 1.732 479 HB3 MET 61 2HB MET 61 -1.055 -0.658 2.425 480 HG2 MET 61 1HG MET 61 0.666 -1.428 0.614 481 HG3 MET 61 2HG MET 61 -0.732 -2.163 -0.164 482 HE1 MET 61 3HE MET 61 0.129 -0.621 -2.115 483 HE2 MET 61 1HE MET 61 0.201 1.156 -2.037 484 HE3 MET 61 2HE MET 61 1.307 0.176 -1.044 485 H VAL 62 H VAL 62 -1.655 -4.328 4.204 486 HA VAL 62 HA VAL 62 -1.720 -2.392 6.505 487 HB VAL 62 HB VAL 62 -3.483 -4.828 6.454 488 HG11 VAL 62 1HG1 VAL 62 -4.968 -3.280 7.676 489 HG12 VAL 62 2HG1 VAL 62 -3.375 -3.379 8.462 490 HG13 VAL 62 3HG1 VAL 62 -3.787 -1.966 7.462 491 HG21 VAL 62 3HG2 VAL 62 -3.889 -3.941 4.255 492 HG22 VAL 62 1HG2 VAL 62 -5.264 -3.665 5.350 493 HG23 VAL 62 2HG2 VAL 62 -4.168 -2.323 4.942 494 H ALA 63 H ALA 63 -1.789 -3.855 8.763 495 HA ALA 63 HA ALA 63 0.398 -5.113 9.589 496 HB1 ALA 63 3HB ALA 63 -2.398 -6.190 10.043 497 HB2 ALA 63 1HB ALA 63 -0.967 -6.465 11.066 498 HB3 ALA 63 2HB ALA 63 -1.657 -4.831 10.920 499 HA PRO 64 HA PRO 64 1.713 -8.535 7.264 500 HB2 PRO 64 1HB PRO 64 2.602 -10.124 9.309 501 HB3 PRO 64 2HB PRO 64 3.525 -8.798 8.459 502 HG2 PRO 64 1HG PRO 64 2.016 -8.681 11.143 503 HG3 PRO 64 2HG PRO 64 3.596 -7.994 10.778 504 HD2 PRO 64 1HD PRO 64 1.428 -6.380 10.665 505 HD3 PRO 64 2HD PRO 64 2.653 -6.235 9.406 506 H ALA 65 H ALA 65 -0.304 -9.289 10.157 507 HA ALA 65 HA ALA 65 -1.602 -11.404 8.539 508 HB1 ALA 65 3HB ALA 65 -1.003 -11.353 11.499 509 HB2 ALA 65 1HB ALA 65 -1.956 -12.598 10.658 510 HB3 ALA 65 2HB ALA 65 -0.237 -12.373 10.258 511 H TYR 66 H TYR 66 -2.444 -8.667 8.474 512 HA TYR 66 HA TYR 66 -4.592 -8.058 10.276 513 HB2 TYR 66 1HB TYR 66 -3.626 -6.330 9.059 514 HB3 TYR 66 2HB TYR 66 -3.943 -7.145 7.492 515 HD1 TYR 66 HD1 TYR 66 -5.869 -5.788 10.458 516 HD2 TYR 66 HD2 TYR 66 -5.665 -6.409 6.215 517 HE1 TYR 66 HE1 TYR 66 -8.059 -4.658 10.188 518 HE2 TYR 66 HE2 TYR 66 -7.842 -5.261 5.940 519 HH TYR 66 HH TYR 66 -9.059 -3.196 7.910 520 H ALA 67 H ALA 67 -4.803 -9.343 6.951 521 HA ALA 67 HA ALA 67 -7.009 -11.039 7.235 522 HB1 ALA 67 3HB ALA 67 -7.629 -8.312 5.994 523 HB2 ALA 67 1HB ALA 67 -8.699 -9.735 5.952 524 HB3 ALA 67 2HB ALA 67 -8.328 -8.946 7.504 525 H GLU 68 H GLU 68 -7.488 -12.004 5.147 526 HA GLU 68 HA GLU 68 -7.011 -12.842 3.016 527 HB2 GLU 68 1HB GLU 68 -6.205 -10.038 2.545 528 HB3 GLU 68 2HB GLU 68 -5.852 -11.295 1.384 529 HG2 GLU 68 1HG GLU 68 -7.970 -10.882 0.626 530 HG3 GLU 68 2HG GLU 68 -8.520 -11.832 1.969 531 H ALA 69 H ALA 69 -4.636 -12.405 1.443 532 HA ALA 69 HA ALA 69 -2.696 -13.652 1.036 533 HB1 ALA 69 3HB ALA 69 -1.962 -12.194 3.517 534 HB2 ALA 69 1HB ALA 69 -0.871 -12.948 2.330 535 HB3 ALA 69 2HB ALA 69 -1.913 -11.589 1.844 536 H ARG 70 H ARG 70 -3.949 -15.650 1.292 537 HA ARG 70 HA ARG 70 -2.882 -17.334 3.496 538 HB2 ARG 70 1HB ARG 70 -5.309 -16.431 3.802 539 HB3 ARG 70 2HB ARG 70 -5.731 -17.614 2.565 540 HG2 ARG 70 1HG ARG 70 -4.503 -19.369 4.004 541 HG3 ARG 70 2HG ARG 70 -4.442 -18.158 5.273 542 HD2 ARG 70 1HD ARG 70 -6.853 -17.966 5.270 543 HD3 ARG 70 2HD ARG 70 -6.951 -19.139 3.914 544 HE ARG 70 HE ARG 70 -5.356 -20.199 6.091 545 HH11 ARG 70 1HH1 ARG 70 -8.800 -19.676 5.346 546 HH12 ARG 70 2HH1 ARG 70 -9.299 -21.010 6.334 547 HH21 ARG 70 1HH2 ARG 70 -6.113 -21.855 7.383 548 HH22 ARG 70 2HH2 ARG 70 -7.803 -22.206 7.465 549 H SER 71 H SER 71 -4.648 -19.555 2.219 550 HA SER 71 HA SER 71 -2.838 -20.835 0.509 551 HB2 SER 71 1HB SER 71 -4.835 -21.830 1.681 552 HB3 SER 71 2HB SER 71 -5.854 -21.097 0.423 553 HG SER 71 HG SER 71 -5.164 -23.345 -0.002 554 H ARG 72 H ARG 72 -2.689 -21.107 -1.695 555 HA ARG 72 HA ARG 72 -2.235 -20.347 -3.742 556 HB2 ARG 72 1HB ARG 72 -4.948 -19.156 -3.536 557 HB3 ARG 72 2HB ARG 72 -3.908 -19.037 -4.990 558 HG2 ARG 72 1HG ARG 72 -3.774 -21.565 -4.945 559 HG3 ARG 72 2HG ARG 72 -5.053 -21.530 -3.705 560 HD2 ARG 72 1HD ARG 72 -6.523 -20.250 -5.285 561 HD3 ARG 72 2HD ARG 72 -5.261 -20.315 -6.514 562 HE ARG 72 HE ARG 72 -5.924 -22.959 -5.531 563 HH11 ARG 72 1HH1 ARG 72 -6.657 -20.539 -8.048 564 HH12 ARG 72 2HH1 ARG 72 -7.711 -21.670 -8.938 565 HH21 ARG 72 1HH2 ARG 72 -7.162 -24.360 -6.775 566 HH22 ARG 72 2HH2 ARG 72 -7.983 -23.765 -8.243 567 H LEU 73 H LEU 73 -2.471 -18.036 -1.263 568 HA LEU 73 HA LEU 73 -1.922 -15.736 -1.008 569 HB2 LEU 73 1HB LEU 73 0.236 -16.571 -2.863 570 HB3 LEU 73 2HB LEU 73 0.104 -14.966 -2.201 571 HG LEU 73 HG LEU 73 0.095 -17.460 -0.495 572 HD11 LEU 73 1HD1 LEU 73 2.466 -16.885 -0.073 573 HD12 LEU 73 2HD1 LEU 73 2.195 -17.251 -1.794 574 HD13 LEU 73 3HD1 LEU 73 2.358 -15.561 -1.258 575 HD21 LEU 73 3HD2 LEU 73 -0.896 -15.483 0.580 576 HD22 LEU 73 1HD2 LEU 73 0.679 -15.890 1.301 577 HD23 LEU 73 2HD2 LEU 73 0.547 -14.527 0.164 578 H ALA 74 H ALA 74 -4.088 -15.361 -1.755 579 HA ALA 74 HA ALA 74 -4.301 -13.746 -4.255 580 HB1 ALA 74 3HB ALA 74 -6.129 -15.987 -3.351 581 HB2 ALA 74 1HB ALA 74 -6.398 -14.895 -4.730 582 HB3 ALA 74 2HB ALA 74 -5.025 -16.028 -4.747 583 H LYS 75 H LYS 75 -6.636 -12.868 -4.274 584 HA LYS 75 HA LYS 75 -8.244 -11.392 -3.509 585 HB2 LYS 75 1HB LYS 75 -7.638 -12.617 -0.880 586 HB3 LYS 75 2HB LYS 75 -8.860 -11.341 -1.181 587 HG2 LYS 75 1HG LYS 75 -10.055 -12.826 -2.704 588 HG3 LYS 75 2HG LYS 75 -8.822 -14.087 -2.476 589 HD2 LYS 75 1HD LYS 75 -9.425 -14.302 -0.076 590 HD3 LYS 75 2HD LYS 75 -10.485 -12.928 -0.158 591 HE2 LYS 75 1HE LYS 75 -11.838 -14.924 -0.198 592 HE3 LYS 75 2HE LYS 75 -11.949 -14.235 -1.786 593 HZ1 LYS 75 3HZ LYS 75 -10.213 -16.445 -1.000 594 HZ2 LYS 75 1HZ LYS 75 -11.661 -16.525 -1.853 595 HZ3 LYS 75 2HZ LYS 75 -10.320 -15.776 -2.540 596 H GLU 76 H GLU 76 -8.256 -9.697 -1.265 597 HA GLU 76 HA GLU 76 -7.522 -7.604 -0.550 598 HB2 GLU 76 1HB GLU 76 -5.904 -9.189 0.398 599 HB3 GLU 76 2HB GLU 76 -4.787 -8.645 -0.896 600 HG2 GLU 76 1HG GLU 76 -4.738 -6.386 0.008 601 HG3 GLU 76 2HG GLU 76 -6.096 -6.666 1.040 602 H MET 77 H MET 77 -8.493 -7.437 -2.998 603 HA MET 77 HA MET 77 -6.759 -6.135 -4.972 604 HB2 MET 77 1HB MET 77 -8.670 -5.864 -6.229 605 HB3 MET 77 2HB MET 77 -8.642 -7.531 -5.573 606 HG2 MET 77 1HG MET 77 -10.443 -7.016 -4.018 607 HG3 MET 77 2HG MET 77 -10.330 -5.306 -4.324 608 HE1 MET 77 3HE MET 77 -12.649 -4.753 -4.873 609 HE2 MET 77 1HE MET 77 -13.744 -5.790 -5.819 610 HE3 MET 77 2HE MET 77 -13.043 -6.390 -4.296 611 H GLY 78 H GLY 78 -7.208 -4.048 -5.880 612 HA2 GLY 78 1HA GLY 78 -8.264 -1.929 -4.086 613 HA3 GLY 78 2HA GLY 78 -6.568 -1.869 -4.491 614 H LEU 79 H LEU 79 -9.807 -1.514 -5.557 615 HA LEU 79 HA LEU 79 -8.996 -0.239 -8.164 616 HB2 LEU 79 1HB LEU 79 -11.349 -1.926 -7.426 617 HB3 LEU 79 2HB LEU 79 -11.455 -0.724 -8.696 618 HG LEU 79 HG LEU 79 -9.094 -2.558 -8.742 619 HD11 LEU 79 1HD1 LEU 79 -10.438 -4.270 -9.897 620 HD12 LEU 79 2HD1 LEU 79 -10.985 -4.052 -8.217 621 HD13 LEU 79 3HD1 LEU 79 -11.919 -3.344 -9.557 622 HD21 LEU 79 3HD2 LEU 79 -9.380 -0.748 -10.410 623 HD22 LEU 79 1HD2 LEU 79 -9.510 -2.351 -11.170 624 HD23 LEU 79 2HD2 LEU 79 -10.979 -1.402 -10.843 625 H GLY 80 H GLY 80 -11.824 0.011 -5.875 626 HA2 GLY 80 1HA GLY 80 -12.885 1.825 -4.991 627 HA3 GLY 80 2HA GLY 80 -11.438 2.786 -5.254 628 H GLN 81 H GLN 81 -14.483 1.642 -6.649 629 HA GLN 81 HA GLN 81 -14.085 3.380 -9.026 630 HB2 GLN 81 1HB GLN 81 -14.136 0.820 -9.353 631 HB3 GLN 81 2HB GLN 81 -15.816 0.878 -8.881 632 HG2 GLN 81 1HG GLN 81 -16.477 1.860 -10.811 633 HG3 GLN 81 2HG GLN 81 -14.988 2.814 -10.980 634 HE21 GLN 81 1HE2 GLN 81 -13.182 1.946 -11.994 635 HE22 GLN 81 2HE2 GLN 81 -13.189 0.360 -12.811 636 H ARG 82 H ARG 82 -14.893 5.197 -8.089 637 HA ARG 82 HA ARG 82 -17.779 5.473 -7.862 638 HB2 ARG 82 1HB ARG 82 -16.493 4.789 -5.571 639 HB3 ARG 82 2HB ARG 82 -16.111 6.540 -5.587 640 HG2 ARG 82 1HG ARG 82 -18.077 6.242 -4.220 641 HG3 ARG 82 2HG ARG 82 -18.613 6.970 -5.735 642 HD2 ARG 82 1HD ARG 82 -19.490 4.902 -6.542 643 HD3 ARG 82 2HD ARG 82 -18.649 3.966 -5.294 644 HE ARG 82 HE ARG 82 -20.343 5.895 -4.027 645 HH11 ARG 82 1HH1 ARG 82 -20.754 2.965 -6.042 646 HH12 ARG 82 2HH1 ARG 82 -22.247 2.497 -5.184 647 HH21 ARG 82 1HH2 ARG 82 -22.231 5.202 -3.008 648 HH22 ARG 82 2HH2 ARG 82 -23.031 3.762 -3.538 649 H ARG 83 H ARG 83 -18.394 7.641 -8.242 650 HA ARG 83 HA ARG 83 -16.499 9.862 -8.141 651 HB2 ARG 83 1HB ARG 83 -16.555 10.491 -10.375 652 HB3 ARG 83 2HB ARG 83 -15.941 8.803 -10.272 653 HG2 ARG 83 1HG ARG 83 -17.311 8.536 -12.089 654 HG3 ARG 83 2HG ARG 83 -18.547 8.319 -10.858 655 HD2 ARG 83 1HD ARG 83 -18.289 11.154 -11.322 656 HD3 ARG 83 2HD ARG 83 -18.405 10.355 -12.880 657 HE ARG 83 HE ARG 83 -20.453 10.581 -10.829 658 HH11 ARG 83 1HH1 ARG 83 -19.452 8.464 -13.541 659 HH12 ARG 83 2HH1 ARG 83 -21.141 8.013 -13.898 660 HH21 ARG 83 1HH2 ARG 83 -22.531 9.943 -11.372 661 HH22 ARG 83 2HH2 ARG 83 -22.796 8.828 -12.669 662 H LYS 84 H LYS 84 -17.540 11.896 -8.265 663 HA LYS 84 HA LYS 84 -20.359 12.135 -8.926 664 HB2 LYS 84 1HB LYS 84 -20.093 11.370 -6.360 665 HB3 LYS 84 2HB LYS 84 -19.692 13.056 -6.128 666 HG2 LYS 84 1HG LYS 84 -22.052 12.806 -5.789 667 HG3 LYS 84 2HG LYS 84 -21.854 13.660 -7.316 668 HD2 LYS 84 1HD LYS 84 -22.161 11.477 -8.540 669 HD3 LYS 84 2HD LYS 84 -22.435 10.676 -7.005 670 HE2 LYS 84 1HE LYS 84 -24.382 12.162 -6.582 671 HE3 LYS 84 2HE LYS 84 -24.114 12.935 -8.148 672 HZ1 LYS 84 3HZ LYS 84 -24.655 10.074 -7.708 673 HZ2 LYS 84 1HZ LYS 84 -25.746 11.220 -8.277 674 HZ3 LYS 84 2HZ LYS 84 -24.400 10.810 -9.198 675 H ALA 85 H ALA 85 -20.906 14.162 -9.410 676 HA ALA 85 HA ALA 85 -18.838 16.354 -9.094 677 HB1 ALA 85 3HB ALA 85 -20.558 15.773 -11.527 678 HB2 ALA 85 1HB ALA 85 -19.470 17.166 -11.321 679 HB3 ALA 85 2HB ALA 85 -18.801 15.518 -11.398 680 H ASN 86 H ASN 86 -19.562 18.113 -8.159 681 HA ASN 86 HA ASN 86 -22.189 19.277 -8.418 682 HB2 ASN 86 1HB ASN 86 -22.779 19.085 -6.035 683 HB3 ASN 86 2HB ASN 86 -22.857 17.527 -6.917 684 HD21 ASN 86 1HD2 ASN 86 -21.272 19.334 -4.309 685 HD22 ASN 86 2HD2 ASN 86 -20.362 17.956 -3.764 686 H ARG 87 H ARG 87 -22.270 21.366 -7.413 687 HA ARG 87 HA ARG 87 -19.890 22.863 -7.033 688 HB2 ARG 87 1HB ARG 87 -22.095 23.865 -7.566 689 HB3 ARG 87 2HB ARG 87 -22.728 23.370 -6.026 690 HG2 ARG 87 1HG ARG 87 -21.016 24.803 -4.887 691 HG3 ARG 87 2HG ARG 87 -20.468 25.348 -6.462 692 HD2 ARG 87 1HD ARG 87 -22.320 26.629 -6.823 693 HD3 ARG 87 2HD ARG 87 -23.402 25.525 -5.950 694 HE ARG 87 HE ARG 87 -23.080 26.754 -4.050 695 HH11 ARG 87 1HH1 ARG 87 -20.355 27.668 -6.197 696 HH12 ARG 87 2HH1 ARG 87 -19.674 28.753 -4.956 697 HH21 ARG 87 1HH2 ARG 87 -22.139 28.137 -2.596 698 HH22 ARG 87 2HH2 ARG 87 -20.694 28.994 -3.002 Start of MODEL 8 1 H1 ALA 1 1H ALA 1 9.007 20.126 -2.042 2 HA ALA 1 HA ALA 1 11.416 19.907 -3.516 3 HB1 ALA 1 3HB ALA 1 11.808 19.671 -0.543 4 HB2 ALA 1 1HB ALA 1 12.984 19.179 -1.785 5 HB3 ALA 1 2HB ALA 1 12.500 20.886 -1.644 6 H VAL 2 H VAL 2 8.952 18.669 -3.651 7 HA VAL 2 HA VAL 2 8.846 16.023 -2.447 8 HB VAL 2 HB VAL 2 7.306 17.069 -4.859 9 HG11 VAL 2 1HG1 VAL 2 5.722 15.316 -4.319 10 HG12 VAL 2 2HG1 VAL 2 7.307 14.608 -4.713 11 HG13 VAL 2 3HG1 VAL 2 6.779 14.721 -3.017 12 HG21 VAL 2 3HG2 VAL 2 6.952 18.463 -2.891 13 HG22 VAL 2 1HG2 VAL 2 5.523 17.481 -3.292 14 HG23 VAL 2 2HG2 VAL 2 6.571 17.012 -1.933 15 H ASN 3 H ASN 3 10.348 14.545 -2.838 16 HA ASN 3 HA ASN 3 11.941 13.167 -3.856 17 HB2 ASN 3 1HB ASN 3 9.790 13.238 -5.905 18 HB3 ASN 3 2HB ASN 3 11.173 12.099 -5.844 19 HD21 ASN 3 1HD2 ASN 3 9.349 10.537 -5.875 20 HD22 ASN 3 2HD2 ASN 3 8.723 10.022 -4.286 21 H VAL 4 H VAL 4 12.924 15.614 -3.878 22 HA VAL 4 HA VAL 4 13.831 16.619 -6.514 23 HB VAL 4 HB VAL 4 13.400 18.022 -4.694 24 HG11 VAL 4 1HG1 VAL 4 15.065 18.337 -2.917 25 HG12 VAL 4 2HG1 VAL 4 14.272 16.749 -2.779 26 HG13 VAL 4 3HG1 VAL 4 15.919 16.867 -3.444 27 HG21 VAL 4 3HG2 VAL 4 14.598 18.769 -6.539 28 HG22 VAL 4 1HG2 VAL 4 15.276 19.463 -5.048 29 HG23 VAL 4 2HG2 VAL 4 16.126 18.138 -5.878 30 H GLU 5 H GLU 5 14.238 14.194 -7.008 31 HA GLU 5 HA GLU 5 15.694 12.596 -7.846 32 HB2 GLU 5 1HB GLU 5 16.410 14.800 -8.951 33 HB3 GLU 5 2HB GLU 5 17.812 14.701 -7.921 34 HG2 GLU 5 1HG GLU 5 18.360 12.483 -8.816 35 HG3 GLU 5 2HG GLU 5 16.902 12.509 -9.812 36 H LYS 6 H LYS 6 15.350 11.631 -5.684 37 HA LYS 6 HA LYS 6 17.748 10.601 -4.469 38 HB2 LYS 6 1HB LYS 6 16.498 12.892 -3.030 39 HB3 LYS 6 2HB LYS 6 17.005 11.495 -2.107 40 HG2 LYS 6 1HG LYS 6 19.183 11.955 -2.380 41 HG3 LYS 6 2HG LYS 6 18.995 12.358 -4.097 42 HD2 LYS 6 1HD LYS 6 17.889 14.540 -3.340 43 HD3 LYS 6 2HD LYS 6 18.421 14.143 -1.699 44 HE2 LYS 6 1HE LYS 6 20.711 14.276 -2.282 45 HE3 LYS 6 2HE LYS 6 20.366 14.167 -4.022 46 HZ1 LYS 6 3HZ LYS 6 19.611 16.400 -2.246 47 HZ2 LYS 6 1HZ LYS 6 20.875 16.404 -3.356 48 HZ3 LYS 6 2HZ LYS 6 19.284 16.296 -3.893 49 H GLN 7 H GLN 7 14.509 11.457 -3.287 50 HA GLN 7 HA GLN 7 12.733 10.191 -2.400 51 HB2 GLN 7 1HB GLN 7 13.825 7.947 -4.037 52 HB3 GLN 7 2HB GLN 7 12.261 7.990 -3.159 53 HG2 GLN 7 1HG GLN 7 11.774 8.405 -5.424 54 HG3 GLN 7 2HG GLN 7 11.670 9.987 -4.587 55 HE21 GLN 7 1HE2 GLN 7 13.579 7.969 -6.796 56 HE22 GLN 7 2HE2 GLN 7 14.476 9.319 -7.540 57 H LYS 8 H LYS 8 12.195 8.741 -0.630 58 HA LYS 8 HA LYS 8 14.586 7.736 0.774 59 HB2 LYS 8 1HB LYS 8 12.179 9.070 1.621 60 HB3 LYS 8 2HB LYS 8 12.800 7.751 2.671 61 HG2 LYS 8 1HG LYS 8 15.000 8.837 2.861 62 HG3 LYS 8 2HG LYS 8 14.706 9.880 1.512 63 HD2 LYS 8 1HD LYS 8 13.172 11.240 2.790 64 HD3 LYS 8 2HD LYS 8 13.200 10.104 4.129 65 HE2 LYS 8 1HE LYS 8 14.734 12.072 4.510 66 HE3 LYS 8 2HE LYS 8 15.620 10.586 4.519 67 HZ1 LYS 8 3HZ LYS 8 15.411 12.434 2.273 68 HZ2 LYS 8 1HZ LYS 8 16.704 12.233 3.330 69 HZ3 LYS 8 2HZ LYS 8 16.273 10.990 2.282 70 HA PRO 9 HA PRO 9 12.719 3.682 -0.375 71 HB2 PRO 9 1HB PRO 9 15.053 2.301 -0.505 72 HB3 PRO 9 2HB PRO 9 14.509 3.301 -1.850 73 HG2 PRO 9 1HG PRO 9 16.522 4.006 0.339 74 HG3 PRO 9 2HG PRO 9 16.674 4.256 -1.399 75 HD2 PRO 9 1HD PRO 9 15.761 6.289 0.312 76 HD3 PRO 9 2HD PRO 9 15.100 6.129 -1.381 77 H ALA 10 H ALA 10 12.251 1.941 0.919 78 HA ALA 10 HA ALA 10 13.533 1.855 3.593 79 HB1 ALA 10 3HB ALA 10 10.586 1.655 2.960 80 HB2 ALA 10 1HB ALA 10 11.335 1.373 4.549 81 HB3 ALA 10 2HB ALA 10 11.406 2.988 3.805 82 H VAL 11 H VAL 11 14.856 0.331 2.515 83 HA VAL 11 HA VAL 11 15.636 -1.692 1.921 84 HB VAL 11 HB VAL 11 13.289 -3.040 3.267 85 HG11 VAL 11 1HG1 VAL 11 14.987 -4.669 3.854 86 HG12 VAL 11 2HG1 VAL 11 14.909 -4.473 2.086 87 HG13 VAL 11 3HG1 VAL 11 16.232 -3.719 3.009 88 HG21 VAL 11 3HG2 VAL 11 14.010 -1.310 4.810 89 HG22 VAL 11 1HG2 VAL 11 14.462 -2.946 5.348 90 HG23 VAL 11 2HG2 VAL 11 15.693 -1.868 4.646 91 H SER 12 H SER 12 14.189 -4.042 1.012 92 HA SER 12 HA SER 12 12.524 -3.133 -1.266 93 HB2 SER 12 1HB SER 12 14.751 -3.949 -2.060 94 HB3 SER 12 2HB SER 12 14.542 -5.444 -1.154 95 HG SER 12 HG SER 12 13.918 -5.174 -3.600 96 H VAL 13 H VAL 13 10.921 -4.746 -1.899 97 HA VAL 13 HA VAL 13 9.064 -5.742 -0.347 98 HB VAL 13 HB VAL 13 8.928 -5.836 -2.688 99 HG11 VAL 13 1HG1 VAL 13 9.939 -7.618 -4.047 100 HG12 VAL 13 2HG1 VAL 13 11.189 -6.587 -3.312 101 HG13 VAL 13 3HG1 VAL 13 10.848 -8.195 -2.630 102 HG21 VAL 13 3HG2 VAL 13 7.349 -7.119 -1.492 103 HG22 VAL 13 1HG2 VAL 13 7.786 -7.934 -3.012 104 HG23 VAL 13 2HG2 VAL 13 8.440 -8.524 -1.466 105 H ARG 14 H ARG 14 12.042 -7.652 -0.896 106 HA ARG 14 HA ARG 14 11.530 -10.011 0.360 107 HB2 ARG 14 1HB ARG 14 13.633 -8.945 -0.921 108 HB3 ARG 14 2HB ARG 14 14.210 -8.605 0.690 109 HG2 ARG 14 1HG ARG 14 13.307 -11.353 0.639 110 HG3 ARG 14 2HG ARG 14 14.354 -11.073 -0.727 111 HD2 ARG 14 1HD ARG 14 15.059 -10.376 2.147 112 HD3 ARG 14 2HD ARG 14 15.596 -11.802 1.270 113 HE ARG 14 HE ARG 14 16.252 -9.463 -0.248 114 HH11 ARG 14 1HH1 ARG 14 17.354 -11.437 2.516 115 HH12 ARG 14 2HH1 ARG 14 18.973 -10.686 2.507 116 HH21 ARG 14 1HH2 ARG 14 18.359 -8.630 -0.219 117 HH22 ARG 14 2HH2 ARG 14 19.480 -9.157 0.988 118 H LYS 15 H LYS 15 12.195 -6.897 1.993 119 HA LYS 15 HA LYS 15 11.563 -8.150 4.650 120 HB2 LYS 15 1HB LYS 15 14.085 -7.504 4.100 121 HB3 LYS 15 2HB LYS 15 13.518 -5.887 4.425 122 HG2 LYS 15 1HG LYS 15 12.548 -6.798 6.611 123 HG3 LYS 15 2HG LYS 15 13.478 -8.267 6.280 124 HD2 LYS 15 1HD LYS 15 15.564 -6.786 6.061 125 HD3 LYS 15 2HD LYS 15 14.601 -5.435 6.610 126 HE2 LYS 15 1HE LYS 15 15.651 -6.226 8.557 127 HE3 LYS 15 2HE LYS 15 14.041 -6.913 8.682 128 HZ1 LYS 15 3HZ LYS 15 16.423 -8.291 7.658 129 HZ2 LYS 15 1HZ LYS 15 15.710 -8.494 9.167 130 HZ3 LYS 15 2HZ LYS 15 14.881 -8.950 7.777 131 H SER 16 H SER 16 9.692 -6.811 2.686 132 HA SER 16 HA SER 16 9.057 -4.137 3.608 133 HB2 SER 16 1HB SER 16 6.991 -4.438 2.447 134 HB3 SER 16 2HB SER 16 8.314 -5.019 1.442 135 HG SER 16 HG SER 16 6.579 -6.490 1.402 136 H VAL 17 H VAL 17 8.005 -7.341 4.494 137 HA VAL 17 HA VAL 17 6.302 -6.507 6.755 138 HB VAL 17 HB VAL 17 7.174 -9.087 5.452 139 HG11 VAL 17 1HG1 VAL 17 5.747 -10.370 6.978 140 HG12 VAL 17 2HG1 VAL 17 7.111 -9.627 7.847 141 HG13 VAL 17 3HG1 VAL 17 5.483 -8.917 7.970 142 HG21 VAL 17 3HG2 VAL 17 5.378 -7.797 4.396 143 HG22 VAL 17 1HG2 VAL 17 4.734 -9.308 5.080 144 HG23 VAL 17 2HG2 VAL 17 4.474 -7.765 5.928 145 H GLN 18 H GLN 18 7.137 -5.932 8.671 146 HA GLN 18 HA GLN 18 9.622 -7.248 9.678 147 HB2 GLN 18 1HB GLN 18 8.677 -4.391 10.254 148 HB3 GLN 18 2HB GLN 18 10.194 -5.091 10.694 149 HG2 GLN 18 1HG GLN 18 10.841 -5.242 8.303 150 HG3 GLN 18 2HG GLN 18 9.299 -4.569 7.840 151 HE21 GLN 18 1HE2 GLN 18 12.438 -3.934 8.570 152 HE22 GLN 18 2HE2 GLN 18 12.304 -2.232 8.926 153 H ASP 19 H ASP 19 9.428 -6.281 12.343 154 HA ASP 19 HA ASP 19 7.657 -8.151 13.549 155 HB2 ASP 19 1HB ASP 19 9.381 -5.943 14.735 156 HB3 ASP 19 2HB ASP 19 8.430 -7.015 15.713 157 H ASP 20 H ASP 20 5.608 -7.548 12.593 158 HA ASP 20 HA ASP 20 3.529 -6.712 12.550 159 HB2 ASP 20 1HB ASP 20 4.042 -6.102 15.437 160 HB3 ASP 20 2HB ASP 20 2.525 -5.766 14.660 161 H HIS 21 H HIS 21 5.799 -4.979 11.683 162 HA HIS 21 HA HIS 21 4.285 -2.495 11.381 163 HB2 HIS 21 1HB HIS 21 6.295 -1.141 11.521 164 HB3 HIS 21 2HB HIS 21 5.693 -1.819 13.075 165 HD1 HIS 21 HD1 HIS 21 7.316 -3.655 14.189 166 HD2 HIS 21 HD2 HIS 21 8.760 -1.677 10.866 167 HE1 HIS 21 HE1 HIS 21 9.863 -3.765 14.361 168 H ILE 22 H ILE 22 4.315 -1.801 9.338 169 HA ILE 22 HA ILE 22 5.812 -3.381 7.320 170 HB ILE 22 HB ILE 22 3.423 -3.803 7.455 171 HG12 ILE 22 1HG1 ILE 22 3.956 -2.637 4.771 172 HG13 ILE 22 2HG1 ILE 22 5.053 -3.870 5.392 173 HG21 ILE 22 1HG2 ILE 22 1.828 -2.218 6.469 174 HG22 ILE 22 2HG2 ILE 22 2.516 -1.576 7.980 175 HG23 ILE 22 3HG2 ILE 22 3.091 -0.967 6.411 176 HD11 ILE 22 3HD1 ILE 22 2.031 -4.130 5.188 177 HD12 ILE 22 1HD1 ILE 22 3.231 -4.879 4.108 178 HD13 ILE 22 2HD1 ILE 22 3.139 -5.373 5.815 179 H VAL 23 H VAL 23 7.273 -2.364 6.284 180 HA VAL 23 HA VAL 23 7.984 0.442 6.941 181 HB VAL 23 HB VAL 23 9.419 -1.565 6.911 182 HG11 VAL 23 1HG1 VAL 23 10.680 -1.998 4.859 183 HG12 VAL 23 2HG1 VAL 23 8.977 -2.479 4.679 184 HG13 VAL 23 3HG1 VAL 23 9.558 -0.969 3.938 185 HG21 VAL 23 3HG2 VAL 23 10.140 0.508 7.505 186 HG22 VAL 23 1HG2 VAL 23 11.336 -0.259 6.434 187 HG23 VAL 23 2HG2 VAL 23 10.280 1.029 5.810 188 H CYS 24 H CYS 24 7.639 2.231 5.962 189 HA CYS 24 HA CYS 24 5.888 2.232 3.622 190 HB2 CYS 24 1HB CYS 24 5.602 3.817 5.510 191 HB3 CYS 24 2HB CYS 24 7.108 4.617 5.020 192 H LEU 25 H LEU 25 6.996 1.503 1.831 193 HA LEU 25 HA LEU 25 9.589 2.421 0.949 194 HB2 LEU 25 1HB LEU 25 7.228 1.263 -0.416 195 HB3 LEU 25 2HB LEU 25 8.579 1.975 -1.366 196 HG LEU 25 HG LEU 25 8.813 -0.482 -1.166 197 HD11 LEU 25 1HD1 LEU 25 11.079 -0.565 -0.289 198 HD12 LEU 25 2HD1 LEU 25 10.854 0.894 -1.282 199 HD13 LEU 25 3HD1 LEU 25 10.859 1.018 0.494 200 HD21 LEU 25 3HD2 LEU 25 7.566 -0.926 0.768 201 HD22 LEU 25 1HD2 LEU 25 9.206 -1.613 0.860 202 HD23 LEU 25 2HD2 LEU 25 8.804 -0.147 1.783 203 H GLU 26 H GLU 26 10.235 4.115 -0.344 204 HA GLU 26 HA GLU 26 10.363 6.199 -1.188 205 HB2 GLU 26 1HB GLU 26 8.063 5.480 -2.213 206 HB3 GLU 26 2HB GLU 26 7.466 6.767 -1.118 207 HG2 GLU 26 1HG GLU 26 7.984 8.229 -2.750 208 HG3 GLU 26 2HG GLU 26 9.687 7.905 -2.399 209 H CYS 27 H CYS 27 9.219 5.545 1.957 210 HA CYS 27 HA CYS 27 9.009 8.406 2.612 211 HB2 CYS 27 1HB CYS 27 6.822 6.889 2.708 212 HB3 CYS 27 2HB CYS 27 7.500 6.486 4.296 213 H GLY 28 H GLY 28 9.536 4.975 3.994 214 HA2 GLY 28 1HA GLY 28 11.660 4.478 5.034 215 HA3 GLY 28 2HA GLY 28 11.730 6.105 5.677 216 H GLY 29 H GLY 29 9.493 6.679 6.935 217 HA2 GLY 29 1HA GLY 29 9.511 5.308 9.390 218 HA3 GLY 29 2HA GLY 29 8.212 6.327 8.825 219 H SER 30 H SER 30 8.240 3.800 10.405 220 HA SER 30 HA SER 30 6.775 1.945 8.567 221 HB2 SER 30 1HB SER 30 9.063 1.190 9.419 222 HB3 SER 30 2HB SER 30 8.341 1.143 11.028 223 HG SER 30 HG SER 30 8.335 -0.842 9.536 224 H PHE 31 H PHE 31 5.011 0.871 9.383 225 HA PHE 31 HA PHE 31 3.652 1.642 11.908 226 HB2 PHE 31 1HB PHE 31 1.718 2.518 10.608 227 HB3 PHE 31 2HB PHE 31 3.137 3.599 10.807 228 HD1 PHE 31 HD1 PHE 31 2.494 0.901 8.155 229 HD2 PHE 31 HD2 PHE 31 2.941 5.068 9.089 230 HE1 PHE 31 HE1 PHE 31 3.415 1.309 5.907 231 HE2 PHE 31 HE2 PHE 31 3.620 5.499 6.759 232 HZ PHE 31 HZ PHE 31 3.612 3.649 5.116 233 H LYS 32 H LYS 32 1.482 0.667 12.113 234 HA LYS 32 HA LYS 32 1.376 -2.004 11.177 235 HB2 LYS 32 1HB LYS 32 0.285 -0.746 13.259 236 HB3 LYS 32 2HB LYS 32 -1.108 -0.699 12.173 237 HG2 LYS 32 1HG LYS 32 -0.418 -3.318 11.819 238 HG3 LYS 32 2HG LYS 32 0.237 -3.106 13.413 239 HD2 LYS 32 1HD LYS 32 -2.566 -2.288 12.729 240 HD3 LYS 32 2HD LYS 32 -2.098 -3.947 13.226 241 HE2 LYS 32 1HE LYS 32 -1.358 -1.639 15.030 242 HE3 LYS 32 2HE LYS 32 -3.014 -2.193 15.025 243 HZ1 LYS 32 3HZ LYS 32 -0.652 -3.852 15.522 244 HZ2 LYS 32 1HZ LYS 32 -1.740 -3.261 16.659 245 HZ3 LYS 32 2HZ LYS 32 -2.246 -4.386 15.517 246 H SER 33 H SER 33 -0.045 0.988 9.766 247 HA SER 33 HA SER 33 -1.288 -0.664 7.651 248 HB2 SER 33 1HB SER 33 -3.100 1.087 7.579 249 HB3 SER 33 2HB SER 33 -3.094 0.103 9.042 250 HG SER 33 HG SER 33 -3.347 2.374 9.497 251 H LEU 34 H LEU 34 -0.658 -0.235 5.645 252 HA LEU 34 HA LEU 34 0.548 2.418 4.952 253 HB2 LEU 34 1HB LEU 34 1.897 0.395 4.812 254 HB3 LEU 34 2HB LEU 34 0.785 -0.140 3.488 255 HG LEU 34 HG LEU 34 3.169 1.063 3.150 256 HD11 LEU 34 1HD1 LEU 34 2.471 1.408 0.837 257 HD12 LEU 34 2HD1 LEU 34 1.955 -0.165 1.489 258 HD13 LEU 34 3HD1 LEU 34 0.777 1.159 1.321 259 HD21 LEU 34 3HD2 LEU 34 2.491 3.276 3.946 260 HD22 LEU 34 1HD2 LEU 34 2.831 3.286 2.198 261 HD23 LEU 34 2HD2 LEU 34 1.148 3.292 2.778 262 H LYS 35 H LYS 35 -1.983 0.083 3.959 263 HA LYS 35 HA LYS 35 -3.033 1.013 1.556 264 HB2 LYS 35 1HB LYS 35 -3.918 -0.799 2.820 265 HB3 LYS 35 2HB LYS 35 -4.543 0.344 4.057 266 HG2 LYS 35 1HG LYS 35 -6.364 -0.343 2.696 267 HG3 LYS 35 2HG LYS 35 -5.967 1.354 2.272 268 HD2 LYS 35 1HD LYS 35 -6.149 0.556 0.090 269 HD3 LYS 35 2HD LYS 35 -4.536 -0.018 0.338 270 HE2 LYS 35 1HE LYS 35 -6.961 -1.763 0.929 271 HE3 LYS 35 2HE LYS 35 -6.160 -1.719 -0.600 272 HZ1 LYS 35 3HZ LYS 35 -4.945 -2.458 1.940 273 HZ2 LYS 35 1HZ LYS 35 -5.449 -3.473 0.696 274 HZ3 LYS 35 2HZ LYS 35 -4.165 -2.416 0.450 275 H ARG 36 H ARG 36 -4.172 2.503 4.644 276 HA ARG 36 HA ARG 36 -5.253 4.812 3.553 277 HB2 ARG 36 1HB ARG 36 -4.544 3.927 6.269 278 HB3 ARG 36 2HB ARG 36 -4.627 5.654 6.040 279 HG2 ARG 36 1HG ARG 36 -6.843 4.850 6.668 280 HG3 ARG 36 2HG ARG 36 -6.946 5.344 5.012 281 HD2 ARG 36 1HD ARG 36 -6.636 2.973 4.325 282 HD3 ARG 36 2HD ARG 36 -6.720 2.538 6.054 283 HE ARG 36 HE ARG 36 -8.907 4.265 5.507 284 HH11 ARG 36 1HH1 ARG 36 -7.926 1.066 4.234 285 HH12 ARG 36 2HH1 ARG 36 -9.619 0.508 4.144 286 HH21 ARG 36 1HH2 ARG 36 -10.989 3.505 5.229 287 HH22 ARG 36 2HH2 ARG 36 -11.276 1.882 4.703 288 H HIS 37 H HIS 37 -2.127 4.708 5.332 289 HA HIS 37 HA HIS 37 -1.271 7.310 5.005 290 HB2 HIS 37 1HB HIS 37 -0.125 5.915 6.447 291 HB3 HIS 37 2HB HIS 37 0.307 4.775 5.133 292 HD1 HIS 37 HD1 HIS 37 1.339 7.971 6.808 293 HD2 HIS 37 HD2 HIS 37 2.414 5.658 3.441 294 HE1 HIS 37 HE1 HIS 37 3.610 8.850 5.988 295 H LEU 38 H LEU 38 -0.770 4.574 2.770 296 HA LEU 38 HA LEU 38 0.790 5.759 0.737 297 HB2 LEU 38 1HB LEU 38 0.092 3.378 1.111 298 HB3 LEU 38 2HB LEU 38 -1.408 3.808 0.214 299 HG LEU 38 HG LEU 38 0.577 2.653 -1.064 300 HD11 LEU 38 1HD1 LEU 38 0.029 3.863 -3.092 301 HD12 LEU 38 2HD1 LEU 38 -1.444 3.551 -2.144 302 HD13 LEU 38 3HD1 LEU 38 -0.713 5.173 -2.143 303 HD21 LEU 38 3HD2 LEU 38 2.358 3.997 -0.226 304 HD22 LEU 38 1HD2 LEU 38 2.205 4.122 -1.995 305 HD23 LEU 38 2HD2 LEU 38 1.635 5.449 -0.956 306 H THR 39 H THR 39 -2.785 5.262 0.363 307 HA THR 39 HA THR 39 -3.177 7.077 -1.697 308 HB THR 39 HB THR 39 -5.253 6.070 0.278 309 HG1 THR 39 HG1 THR 39 -4.063 4.959 -2.125 310 HG21 THR 39 3HG2 THR 39 -5.442 6.861 -2.629 311 HG22 THR 39 1HG2 THR 39 -6.735 6.197 -1.603 312 HG23 THR 39 2HG2 THR 39 -6.063 7.807 -1.255 313 H THR 40 H THR 40 -3.345 7.734 1.862 314 HA THR 40 HA THR 40 -4.180 10.378 1.759 315 HB THR 40 HB THR 40 -2.277 9.145 3.809 316 HG1 THR 40 HG1 THR 40 -4.316 8.702 4.864 317 HG21 THR 40 3HG2 THR 40 -4.257 11.409 4.046 318 HG22 THR 40 1HG2 THR 40 -3.267 10.696 5.342 319 HG23 THR 40 2HG2 THR 40 -2.486 11.579 4.008 320 H HIS 41 H HIS 41 -0.713 9.280 1.926 321 HA HIS 41 HA HIS 41 0.258 12.102 1.647 322 HB2 HIS 41 1HB HIS 41 1.471 9.605 2.728 323 HB3 HIS 41 2HB HIS 41 2.453 10.936 2.198 324 HD1 HIS 41 HD1 HIS 41 -0.722 12.115 3.731 325 HD2 HIS 41 HD2 HIS 41 3.142 11.089 4.781 326 HE1 HIS 41 HE1 HIS 41 -0.420 12.888 6.153 327 H HIS 42 H HIS 42 1.814 9.191 0.477 328 HA HIS 42 HA HIS 42 2.688 10.162 -2.028 329 HB2 HIS 42 1HB HIS 42 1.995 7.304 -1.661 330 HB3 HIS 42 2HB HIS 42 3.381 8.080 -2.487 331 HD1 HIS 42 HD1 HIS 42 5.472 8.616 -1.121 332 HD2 HIS 42 HD2 HIS 42 2.268 7.069 1.155 333 HE1 HIS 42 HE1 HIS 42 6.406 8.061 1.207 334 H SER 43 H SER 43 -0.586 9.026 -1.059 335 HA SER 43 HA SER 43 -2.606 9.232 -2.108 336 HB2 SER 43 1HB SER 43 -1.247 10.497 -4.481 337 HB3 SER 43 2HB SER 43 -2.972 10.361 -4.192 338 HG SER 43 HG SER 43 -1.054 11.786 -2.590 339 H MET 44 H MET 44 -3.478 8.442 -4.563 340 HA MET 44 HA MET 44 -3.642 6.898 -6.210 341 HB2 MET 44 1HB MET 44 -0.835 6.033 -5.554 342 HB3 MET 44 2HB MET 44 -1.812 5.562 -6.982 343 HG2 MET 44 1HG MET 44 -1.732 7.894 -7.820 344 HG3 MET 44 2HG MET 44 -0.901 8.431 -6.393 345 HE1 MET 44 3HE MET 44 1.226 6.061 -5.884 346 HE2 MET 44 1HE MET 44 2.614 6.704 -6.793 347 HE3 MET 44 2HE MET 44 1.623 7.794 -5.794 348 H THR 45 H THR 45 -3.873 4.601 -6.663 349 HA THR 45 HA THR 45 -4.892 3.013 -4.455 350 HB THR 45 HB THR 45 -5.161 1.269 -6.217 351 HG1 THR 45 HG1 THR 45 -4.964 2.401 -8.418 352 HG21 THR 45 3HG2 THR 45 -6.314 3.998 -6.847 353 HG22 THR 45 1HG2 THR 45 -6.945 2.423 -7.386 354 HG23 THR 45 2HG2 THR 45 -6.964 2.846 -5.657 355 HA PRO 46 HA PRO 46 -1.259 0.771 -3.123 356 HB2 PRO 46 1HB PRO 46 -2.291 -1.586 -2.666 357 HB3 PRO 46 2HB PRO 46 -2.479 -0.125 -1.578 358 HG2 PRO 46 1HG PRO 46 -4.501 -1.278 -3.616 359 HG3 PRO 46 2HG PRO 46 -4.844 -0.793 -1.960 360 HD2 PRO 46 1HD PRO 46 -5.297 0.973 -3.970 361 HD3 PRO 46 2HD PRO 46 -4.597 1.555 -2.459 362 H GLU 47 H GLU 47 -3.383 -0.998 -5.430 363 HA GLU 47 HA GLU 47 -1.264 -2.562 -6.581 364 HB2 GLU 47 1HB GLU 47 -4.037 -2.015 -7.326 365 HB3 GLU 47 2HB GLU 47 -2.946 -2.522 -8.620 366 HG2 GLU 47 1HG GLU 47 -2.259 -4.517 -7.266 367 HG3 GLU 47 2HG GLU 47 -3.283 -4.007 -5.953 368 H GLU 48 H GLU 48 -2.407 0.736 -7.575 369 HA GLU 48 HA GLU 48 -0.583 0.900 -9.869 370 HB2 GLU 48 1HB GLU 48 -2.562 2.453 -9.323 371 HB3 GLU 48 2HB GLU 48 -1.450 3.286 -8.247 372 HG2 GLU 48 1HG GLU 48 0.128 3.611 -10.153 373 HG3 GLU 48 2HG GLU 48 -1.028 2.815 -11.225 374 H TYR 49 H TYR 49 -0.282 1.763 -6.423 375 HA TYR 49 HA TYR 49 2.369 2.822 -6.473 376 HB2 TYR 49 1HB TYR 49 0.894 3.116 -4.548 377 HB3 TYR 49 2HB TYR 49 0.842 1.404 -4.247 378 HD1 TYR 49 HD1 TYR 49 3.407 4.134 -4.644 379 HD2 TYR 49 HD2 TYR 49 2.145 0.546 -2.645 380 HE1 TYR 49 HE1 TYR 49 5.240 4.412 -2.991 381 HE2 TYR 49 HE2 TYR 49 4.025 0.773 -1.049 382 HH TYR 49 HH TYR 49 5.780 3.886 -0.846 383 H ARG 50 H ARG 50 1.385 -0.671 -5.950 384 HA ARG 50 HA ARG 50 3.922 -1.799 -5.666 385 HB2 ARG 50 1HB ARG 50 3.191 -3.789 -6.143 386 HB3 ARG 50 2HB ARG 50 1.778 -2.923 -5.440 387 HG2 ARG 50 1HG ARG 50 0.562 -3.646 -7.113 388 HG3 ARG 50 2HG ARG 50 1.577 -2.685 -8.234 389 HD2 ARG 50 1HD ARG 50 2.260 -5.572 -7.439 390 HD3 ARG 50 2HD ARG 50 1.356 -5.183 -8.861 391 HE ARG 50 HE ARG 50 4.187 -4.890 -8.421 392 HH11 ARG 50 1HH1 ARG 50 1.505 -3.698 -10.428 393 HH12 ARG 50 2HH1 ARG 50 2.545 -3.342 -11.769 394 HH21 ARG 50 1HH2 ARG 50 5.454 -4.421 -10.235 395 HH22 ARG 50 2HH2 ARG 50 4.739 -3.686 -11.624 396 H GLU 51 H GLU 51 2.385 -0.762 -8.752 397 HA GLU 51 HA GLU 51 4.300 -1.703 -10.610 398 HB2 GLU 51 1HB GLU 51 2.083 -0.991 -11.106 399 HB3 GLU 51 2HB GLU 51 2.544 0.698 -10.711 400 HG2 GLU 51 1HG GLU 51 4.065 -0.792 -12.878 401 HG3 GLU 51 2HG GLU 51 2.528 -0.085 -13.254 402 H LYS 52 H LYS 52 4.297 1.420 -8.770 403 HA LYS 52 HA LYS 52 6.593 2.627 -9.879 404 HB2 LYS 52 1HB LYS 52 5.089 3.824 -8.548 405 HB3 LYS 52 2HB LYS 52 5.371 2.736 -7.147 406 HG2 LYS 52 1HG LYS 52 6.549 4.915 -6.810 407 HG3 LYS 52 2HG LYS 52 7.717 3.650 -6.971 408 HD2 LYS 52 1HD LYS 52 8.018 4.275 -9.373 409 HD3 LYS 52 2HD LYS 52 6.920 5.631 -9.102 410 HE2 LYS 52 1HE LYS 52 8.409 6.518 -7.338 411 HE3 LYS 52 2HE LYS 52 9.487 5.135 -7.525 412 HZ1 LYS 52 3HZ LYS 52 8.844 7.111 -9.608 413 HZ2 LYS 52 1HZ LYS 52 10.264 7.025 -8.711 414 HZ3 LYS 52 2HZ LYS 52 9.872 5.792 -9.786 415 H TRP 53 H TRP 53 6.492 0.707 -6.810 416 HA TRP 53 HA TRP 53 9.345 0.386 -6.791 417 HB2 TRP 53 1HB TRP 53 7.088 -0.608 -5.030 418 HB3 TRP 53 2HB TRP 53 8.767 -1.047 -4.745 419 HD1 TRP 53 HD1 TRP 53 6.381 1.909 -4.504 420 HE1 TRP 53 HE1 TRP 53 7.608 3.922 -3.566 421 HE3 TRP 53 HE3 TRP 53 10.987 -0.100 -4.333 422 HZ2 TRP 53 HZ2 TRP 53 10.271 4.549 -2.776 423 HZ3 TRP 53 HZ3 TRP 53 12.896 1.216 -3.433 424 HH2 TRP 53 HH2 TRP 53 12.528 3.547 -2.667 425 H ASP 54 H ASP 54 7.437 -1.127 -8.901 426 HA ASP 54 HA ASP 54 7.192 -3.118 -9.910 427 HB2 ASP 54 1HB ASP 54 10.088 -3.649 -9.083 428 HB3 ASP 54 2HB ASP 54 9.274 -4.263 -10.478 429 H LEU 55 H LEU 55 6.422 -3.068 -7.080 430 HA LEU 55 HA LEU 55 7.379 -5.200 -5.482 431 HB2 LEU 55 1HB LEU 55 4.978 -3.452 -5.500 432 HB3 LEU 55 2HB LEU 55 4.980 -4.898 -4.438 433 HG LEU 55 HG LEU 55 7.299 -2.987 -4.358 434 HD11 LEU 55 1HD1 LEU 55 6.112 -1.698 -2.612 435 HD12 LEU 55 2HD1 LEU 55 5.271 -1.574 -4.176 436 HD13 LEU 55 3HD1 LEU 55 4.638 -2.649 -2.907 437 HD21 LEU 55 3HD2 LEU 55 7.332 -5.154 -3.098 438 HD22 LEU 55 1HD2 LEU 55 7.299 -3.761 -1.992 439 HD23 LEU 55 2HD2 LEU 55 5.813 -4.693 -2.293 440 HA PRO 56 HA PRO 56 5.584 -8.683 -7.841 441 HB2 PRO 56 1HB PRO 56 6.666 -10.644 -6.316 442 HB3 PRO 56 2HB PRO 56 7.563 -9.815 -7.587 443 HG2 PRO 56 1HG PRO 56 7.597 -9.274 -4.582 444 HG3 PRO 56 2HG PRO 56 8.968 -9.390 -5.685 445 HD2 PRO 56 1HD PRO 56 7.871 -6.903 -4.996 446 HD3 PRO 56 2HD PRO 56 8.460 -7.195 -6.705 447 H VAL 57 H VAL 57 3.937 -9.771 -7.721 448 HA VAL 57 HA VAL 57 1.809 -10.386 -7.172 449 HB VAL 57 HB VAL 57 3.244 -12.077 -6.171 450 HG11 VAL 57 1HG1 VAL 57 3.067 -12.479 -3.760 451 HG12 VAL 57 2HG1 VAL 57 3.982 -10.990 -4.096 452 HG13 VAL 57 3HG1 VAL 57 2.293 -10.891 -3.541 453 HG21 VAL 57 3HG2 VAL 57 1.061 -12.499 -6.833 454 HG22 VAL 57 1HG2 VAL 57 1.393 -13.304 -5.282 455 HG23 VAL 57 2HG2 VAL 57 0.407 -11.823 -5.323 456 H ASP 58 H ASP 58 2.530 -7.516 -6.314 457 HA ASP 58 HA ASP 58 1.823 -5.769 -4.919 458 HB2 ASP 58 1HB ASP 58 -0.422 -5.320 -4.918 459 HB3 ASP 58 2HB ASP 58 0.191 -5.801 -6.541 460 H TYR 59 H TYR 59 3.064 -6.881 -3.218 461 HA TYR 59 HA TYR 59 2.158 -8.409 -1.039 462 HB2 TYR 59 1HB TYR 59 3.981 -7.712 -0.012 463 HB3 TYR 59 2HB TYR 59 4.364 -7.059 -1.643 464 HD1 TYR 59 HD1 TYR 59 3.357 -4.505 -1.954 465 HD2 TYR 59 HD2 TYR 59 4.435 -6.403 1.741 466 HE1 TYR 59 HE1 TYR 59 3.502 -2.289 -0.854 467 HE2 TYR 59 HE2 TYR 59 4.670 -4.186 2.814 468 HH TYR 59 HH TYR 59 4.951 -1.405 1.490 469 HA PRO 60 HA PRO 60 -1.257 -6.322 0.900 470 HB2 PRO 60 1HB PRO 60 -0.961 -7.047 3.503 471 HB3 PRO 60 2HB PRO 60 -1.556 -8.162 2.273 472 HG2 PRO 60 1HG PRO 60 1.283 -7.897 3.374 473 HG3 PRO 60 2HG PRO 60 0.350 -9.369 3.112 474 HD2 PRO 60 1HD PRO 60 2.187 -8.454 1.197 475 HD3 PRO 60 2HD PRO 60 0.612 -9.218 0.658 476 H MET 61 H MET 61 -1.397 -4.228 1.125 477 HA MET 61 HA MET 61 0.606 -2.593 2.332 478 HB2 MET 61 1HB MET 61 -2.121 -2.077 1.100 479 HB3 MET 61 2HB MET 61 -1.271 -0.801 1.902 480 HG2 MET 61 1HG MET 61 -0.766 -0.622 -0.320 481 HG3 MET 61 2HG MET 61 0.703 -1.323 0.439 482 HE1 MET 61 3HE MET 61 1.803 -2.053 -1.746 483 HE2 MET 61 1HE MET 61 0.965 -2.897 -3.070 484 HE3 MET 61 2HE MET 61 0.488 -1.240 -2.628 485 H VAL 62 H VAL 62 -0.501 -4.547 4.306 486 HA VAL 62 HA VAL 62 -1.251 -2.714 6.390 487 HB VAL 62 HB VAL 62 -3.087 -5.115 6.148 488 HG11 VAL 62 1HG1 VAL 62 -4.521 -3.684 7.575 489 HG12 VAL 62 2HG1 VAL 62 -2.909 -3.894 8.298 490 HG13 VAL 62 3HG1 VAL 62 -3.321 -2.374 7.469 491 HG21 VAL 62 3HG2 VAL 62 -3.553 -4.021 4.076 492 HG22 VAL 62 1HG2 VAL 62 -4.892 -3.843 5.235 493 HG23 VAL 62 2HG2 VAL 62 -3.797 -2.475 4.923 494 H ALA 63 H ALA 63 -0.628 -3.697 8.447 495 HA ALA 63 HA ALA 63 1.289 -5.219 9.076 496 HB1 ALA 63 3HB ALA 63 -1.488 -5.682 10.224 497 HB2 ALA 63 1HB ALA 63 0.041 -6.115 11.022 498 HB3 ALA 63 2HB ALA 63 -0.343 -4.407 10.701 499 HA PRO 64 HA PRO 64 1.772 -8.933 7.008 500 HB2 PRO 64 1HB PRO 64 2.730 -10.597 8.941 501 HB3 PRO 64 2HB PRO 64 3.678 -9.387 7.955 502 HG2 PRO 64 1HG PRO 64 2.559 -9.090 10.813 503 HG3 PRO 64 2HG PRO 64 4.150 -8.601 10.239 504 HD2 PRO 64 1HD PRO 64 2.187 -6.739 10.374 505 HD3 PRO 64 2HD PRO 64 3.261 -6.739 8.976 506 H ALA 65 H ALA 65 0.233 -9.606 10.235 507 HA ALA 65 HA ALA 65 -1.518 -11.512 8.797 508 HB1 ALA 65 3HB ALA 65 -0.511 -11.528 11.649 509 HB2 ALA 65 1HB ALA 65 -1.665 -12.693 10.956 510 HB3 ALA 65 2HB ALA 65 -0.005 -12.597 10.319 511 H TYR 66 H TYR 66 -2.114 -8.636 9.017 512 HA TYR 66 HA TYR 66 -3.756 -7.887 11.189 513 HB2 TYR 66 1HB TYR 66 -2.912 -6.374 9.296 514 HB3 TYR 66 2HB TYR 66 -4.216 -6.962 8.310 515 HD1 TYR 66 HD1 TYR 66 -6.619 -6.546 9.024 516 HD2 TYR 66 HD2 TYR 66 -3.246 -4.783 11.014 517 HE1 TYR 66 HE1 TYR 66 -8.068 -4.744 9.884 518 HE2 TYR 66 HE2 TYR 66 -4.706 -3.003 11.913 519 HH TYR 66 HH TYR 66 -6.733 -1.875 11.397 520 H ALA 67 H ALA 67 -4.890 -9.330 8.100 521 HA ALA 67 HA ALA 67 -7.022 -10.803 9.444 522 HB1 ALA 67 3HB ALA 67 -7.710 -8.719 7.363 523 HB2 ALA 67 1HB ALA 67 -8.812 -9.951 8.024 524 HB3 ALA 67 2HB ALA 67 -8.152 -8.686 9.087 525 H GLU 68 H GLU 68 -5.551 -12.359 8.813 526 HA GLU 68 HA GLU 68 -4.598 -14.004 7.508 527 HB2 GLU 68 1HB GLU 68 -7.364 -14.088 7.235 528 HB3 GLU 68 2HB GLU 68 -6.809 -14.248 5.588 529 HG2 GLU 68 1HG GLU 68 -6.953 -16.454 6.520 530 HG3 GLU 68 2HG GLU 68 -5.243 -16.102 6.380 531 H ALA 69 H ALA 69 -3.549 -11.599 6.775 532 HA ALA 69 HA ALA 69 -3.295 -9.971 5.069 533 HB1 ALA 69 3HB ALA 69 -1.519 -12.307 4.466 534 HB2 ALA 69 1HB ALA 69 -1.263 -10.639 3.901 535 HB3 ALA 69 2HB ALA 69 -1.262 -10.997 5.644 536 H ARG 70 H ARG 70 -5.712 -10.806 4.210 537 HA ARG 70 HA ARG 70 -5.328 -10.890 1.236 538 HB2 ARG 70 1HB ARG 70 -5.884 -13.173 2.661 539 HB3 ARG 70 2HB ARG 70 -7.500 -12.649 2.162 540 HG2 ARG 70 1HG ARG 70 -6.788 -12.538 -0.176 541 HG3 ARG 70 2HG ARG 70 -5.119 -12.928 0.284 542 HD2 ARG 70 1HD ARG 70 -5.956 -15.091 1.252 543 HD3 ARG 70 2HD ARG 70 -7.567 -14.704 0.596 544 HE ARG 70 HE ARG 70 -5.740 -14.397 -1.537 545 HH11 ARG 70 1HH1 ARG 70 -6.711 -17.132 0.566 546 HH12 ARG 70 2HH1 ARG 70 -6.471 -18.317 -0.746 547 HH21 ARG 70 1HH2 ARG 70 -5.394 -15.957 -3.104 548 HH22 ARG 70 2HH2 ARG 70 -5.746 -17.671 -2.759 549 H SER 71 H SER 71 -6.133 -8.596 2.710 550 HA SER 71 HA SER 71 -7.838 -7.089 3.257 551 HB2 SER 71 1HB SER 71 -7.378 -6.797 0.869 552 HB3 SER 71 2HB SER 71 -8.720 -7.882 0.496 553 HG SER 71 HG SER 71 -10.180 -6.449 1.270 554 H ARG 72 H ARG 72 -8.395 -8.905 4.837 555 HA ARG 72 HA ARG 72 -9.897 -10.182 6.022 556 HB2 ARG 72 1HB ARG 72 -10.885 -7.809 6.014 557 HB3 ARG 72 2HB ARG 72 -12.123 -8.457 4.966 558 HG2 ARG 72 1HG ARG 72 -12.577 -10.240 6.693 559 HG3 ARG 72 2HG ARG 72 -11.436 -9.420 7.759 560 HD2 ARG 72 1HD ARG 72 -12.773 -7.363 7.652 561 HD3 ARG 72 2HD ARG 72 -13.906 -8.147 6.528 562 HE ARG 72 HE ARG 72 -13.586 -9.763 8.893 563 HH11 ARG 72 1HH1 ARG 72 -15.447 -7.008 7.598 564 HH12 ARG 72 2HH1 ARG 72 -16.585 -7.031 8.971 565 HH21 ARG 72 1HH2 ARG 72 -15.137 -9.818 10.514 566 HH22 ARG 72 2HH2 ARG 72 -16.418 -8.577 10.570 567 H LEU 73 H LEU 73 -9.214 -11.384 3.580 568 HA LEU 73 HA LEU 73 -9.654 -13.127 2.169 569 HB2 LEU 73 1HB LEU 73 -10.542 -14.209 4.250 570 HB3 LEU 73 2HB LEU 73 -12.137 -13.732 3.758 571 HG LEU 73 HG LEU 73 -11.494 -14.887 1.481 572 HD11 LEU 73 1HD1 LEU 73 -9.977 -16.748 1.753 573 HD12 LEU 73 2HD1 LEU 73 -9.152 -15.183 1.936 574 HD13 LEU 73 3HD1 LEU 73 -9.530 -16.162 3.373 575 HD21 LEU 73 3HD2 LEU 73 -13.269 -15.596 3.050 576 HD22 LEU 73 1HD2 LEU 73 -12.367 -16.990 2.411 577 HD23 LEU 73 2HD2 LEU 73 -12.048 -16.406 4.061 578 H ALA 74 H ALA 74 -9.787 -11.690 0.501 579 HA ALA 74 HA ALA 74 -12.168 -11.713 -1.165 580 HB1 ALA 74 3HB ALA 74 -11.366 -9.051 0.005 581 HB2 ALA 74 1HB ALA 74 -12.530 -9.342 -1.310 582 HB3 ALA 74 2HB ALA 74 -12.879 -9.929 0.333 583 H LYS 75 H LYS 75 -9.102 -10.053 -0.478 584 HA LYS 75 HA LYS 75 -7.300 -9.355 -1.882 585 HB2 LYS 75 1HB LYS 75 -7.042 -11.806 -1.805 586 HB3 LYS 75 2HB LYS 75 -7.874 -11.906 -3.344 587 HG2 LYS 75 1HG LYS 75 -6.134 -10.246 -4.255 588 HG3 LYS 75 2HG LYS 75 -5.246 -10.500 -2.763 589 HD2 LYS 75 1HD LYS 75 -4.914 -12.822 -3.233 590 HD3 LYS 75 2HD LYS 75 -6.122 -12.818 -4.519 591 HE2 LYS 75 1HE LYS 75 -3.522 -11.213 -4.607 592 HE3 LYS 75 2HE LYS 75 -3.767 -12.767 -5.390 593 HZ1 LYS 75 3HZ LYS 75 -5.297 -10.314 -5.919 594 HZ2 LYS 75 1HZ LYS 75 -4.084 -10.973 -6.879 595 HZ3 LYS 75 2HZ LYS 75 -5.532 -11.801 -6.669 596 H GLU 76 H GLU 76 -8.337 -7.486 -2.476 597 HA GLU 76 HA GLU 76 -8.317 -6.973 -5.329 598 HB2 GLU 76 1HB GLU 76 -10.765 -8.026 -4.604 599 HB3 GLU 76 2HB GLU 76 -11.048 -6.311 -4.300 600 HG2 GLU 76 1HG GLU 76 -10.059 -5.913 -6.683 601 HG3 GLU 76 2HG GLU 76 -10.275 -7.638 -6.924 602 H MET 77 H MET 77 -8.715 -4.636 -5.772 603 HA MET 77 HA MET 77 -8.843 -2.862 -3.383 604 HB2 MET 77 1HB MET 77 -7.150 -1.472 -4.145 605 HB3 MET 77 2HB MET 77 -6.514 -3.143 -3.975 606 HG2 MET 77 1HG MET 77 -5.508 -2.383 -5.905 607 HG3 MET 77 2HG MET 77 -6.922 -3.298 -6.517 608 HE1 MET 77 3HE MET 77 -7.566 -2.431 -8.723 609 HE2 MET 77 1HE MET 77 -7.220 -0.779 -9.290 610 HE3 MET 77 2HE MET 77 -5.891 -1.829 -8.742 611 H GLY 78 H GLY 78 -9.739 -0.889 -3.701 612 HA2 GLY 78 1HA GLY 78 -11.284 -0.495 -6.291 613 HA3 GLY 78 2HA GLY 78 -11.734 0.195 -4.734 614 H LEU 79 H LEU 79 -10.625 1.938 -3.895 615 HA LEU 79 HA LEU 79 -8.559 3.435 -5.325 616 HB2 LEU 79 1HB LEU 79 -11.381 4.135 -5.852 617 HB3 LEU 79 2HB LEU 79 -10.282 5.442 -5.452 618 HG LEU 79 HG LEU 79 -9.052 3.571 -7.325 619 HD11 LEU 79 1HD1 LEU 79 -10.483 4.090 -9.235 620 HD12 LEU 79 2HD1 LEU 79 -11.353 3.141 -8.007 621 HD13 LEU 79 3HD1 LEU 79 -11.649 4.889 -8.155 622 HD21 LEU 79 3HD2 LEU 79 -8.266 5.870 -6.842 623 HD22 LEU 79 1HD2 LEU 79 -8.698 5.683 -8.558 624 HD23 LEU 79 2HD2 LEU 79 -9.807 6.523 -7.448 625 H GLY 80 H GLY 80 -11.369 4.067 -3.102 626 HA2 GLY 80 1HA GLY 80 -11.447 4.890 -0.966 627 HA3 GLY 80 2HA GLY 80 -9.745 4.527 -0.764 628 H GLN 81 H GLN 81 -11.994 6.743 -2.329 629 HA GLN 81 HA GLN 81 -9.906 8.898 -2.260 630 HB2 GLN 81 1HB GLN 81 -10.937 8.267 -4.523 631 HB3 GLN 81 2HB GLN 81 -12.492 8.753 -3.938 632 HG2 GLN 81 1HG GLN 81 -10.582 10.904 -3.530 633 HG3 GLN 81 2HG GLN 81 -10.591 10.349 -5.197 634 HE21 GLN 81 1HE2 GLN 81 -12.528 10.427 -6.432 635 HE22 GLN 81 2HE2 GLN 81 -13.841 11.532 -5.945 636 H ARG 82 H ARG 82 -10.162 9.376 -0.085 637 HA ARG 82 HA ARG 82 -12.212 11.264 0.700 638 HB2 ARG 82 1HB ARG 82 -13.214 8.820 1.017 639 HB3 ARG 82 2HB ARG 82 -12.118 8.741 2.386 640 HG2 ARG 82 1HG ARG 82 -13.158 10.689 3.415 641 HG3 ARG 82 2HG ARG 82 -14.143 10.979 1.986 642 HD2 ARG 82 1HD ARG 82 -15.177 8.694 2.328 643 HD3 ARG 82 2HD ARG 82 -14.304 8.603 3.869 644 HE ARG 82 HE ARG 82 -15.831 10.040 4.808 645 HH11 ARG 82 1HH1 ARG 82 -16.146 10.451 1.252 646 HH12 ARG 82 2HH1 ARG 82 -17.518 11.574 1.444 647 HH21 ARG 82 1HH2 ARG 82 -17.557 11.461 4.909 648 HH22 ARG 82 2HH2 ARG 82 -18.261 12.095 3.461 649 H ARG 83 H ARG 83 -11.687 12.303 2.679 650 HA ARG 83 HA ARG 83 -8.832 12.075 3.510 651 HB2 ARG 83 1HB ARG 83 -10.855 14.328 3.634 652 HB3 ARG 83 2HB ARG 83 -9.377 14.347 4.554 653 HG2 ARG 83 1HG ARG 83 -8.068 14.123 2.435 654 HG3 ARG 83 2HG ARG 83 -9.565 14.150 1.526 655 HD2 ARG 83 1HD ARG 83 -8.547 16.369 1.587 656 HD3 ARG 83 2HD ARG 83 -10.089 16.397 2.449 657 HE ARG 83 HE ARG 83 -8.078 15.797 4.350 658 HH11 ARG 83 1HH1 ARG 83 -8.797 18.568 2.244 659 HH12 ARG 83 2HH1 ARG 83 -8.195 19.714 3.397 660 HH21 ARG 83 1HH2 ARG 83 -7.320 17.348 5.769 661 HH22 ARG 83 2HH2 ARG 83 -7.357 19.024 5.343 662 H LYS 84 H LYS 84 -8.994 10.257 4.838 663 HA LYS 84 HA LYS 84 -9.616 10.970 7.624 664 HB2 LYS 84 1HB LYS 84 -11.718 9.998 6.539 665 HB3 LYS 84 2HB LYS 84 -10.817 8.449 6.563 666 HG2 LYS 84 1HG LYS 84 -12.148 8.463 8.508 667 HG3 LYS 84 2HG LYS 84 -10.484 8.850 9.047 668 HD2 LYS 84 1HD LYS 84 -12.280 11.211 8.496 669 HD3 LYS 84 2HD LYS 84 -12.669 10.278 9.901 670 HE2 LYS 84 1HE LYS 84 -10.389 10.591 10.773 671 HE3 LYS 84 2HE LYS 84 -9.970 11.519 9.332 672 HZ1 LYS 84 3HZ LYS 84 -12.113 12.173 11.240 673 HZ2 LYS 84 1HZ LYS 84 -10.611 12.919 11.127 674 HZ3 LYS 84 2HZ LYS 84 -11.714 13.057 9.867 675 H ALA 85 H ALA 85 -7.597 10.749 8.273 676 HA ALA 85 HA ALA 85 -6.345 8.244 8.706 677 HB1 ALA 85 3HB ALA 85 -5.069 10.011 6.581 678 HB2 ALA 85 1HB ALA 85 -4.320 8.589 7.343 679 HB3 ALA 85 2HB ALA 85 -5.759 8.393 6.315 680 H ASN 86 H ASN 86 -3.971 8.754 9.502 681 HA ASN 86 HA ASN 86 -2.579 9.686 10.978 682 HB2 ASN 86 1HB ASN 86 -3.279 11.885 9.375 683 HB3 ASN 86 2HB ASN 86 -3.382 12.467 11.013 684 HD21 ASN 86 1HD2 ASN 86 -1.597 13.791 10.533 685 HD22 ASN 86 2HD2 ASN 86 0.001 13.100 10.466 686 H ARG 87 H ARG 87 -2.331 10.321 13.121 687 HA ARG 87 HA ARG 87 -4.844 10.579 14.687 688 HB2 ARG 87 1HB ARG 87 -3.931 9.223 16.413 689 HB3 ARG 87 2HB ARG 87 -4.084 8.354 14.847 690 HG2 ARG 87 1HG ARG 87 -1.452 9.518 15.674 691 HG3 ARG 87 2HG ARG 87 -2.018 7.970 16.375 692 HD2 ARG 87 1HD ARG 87 -1.277 6.871 14.510 693 HD3 ARG 87 2HD ARG 87 -2.318 7.831 13.493 694 HE ARG 87 HE ARG 87 -0.492 8.864 12.711 695 HH11 ARG 87 1HH1 ARG 87 0.411 7.886 16.056 696 HH12 ARG 87 2HH1 ARG 87 2.046 8.574 15.866 697 HH21 ARG 87 1HH2 ARG 87 1.592 9.626 12.594 698 HH22 ARG 87 2HH2 ARG 87 2.647 9.521 13.962 Start of MODEL 9 1 H1 ALA 1 1H ALA 1 10.869 14.496 -12.991 2 HA ALA 1 HA ALA 1 10.219 16.947 -11.734 3 HB1 ALA 1 3HB ALA 1 7.868 15.602 -13.078 4 HB2 ALA 1 1HB ALA 1 7.759 16.913 -11.879 5 HB3 ALA 1 2HB ALA 1 8.554 17.203 -13.446 6 H VAL 2 H VAL 2 11.265 14.191 -11.132 7 HA VAL 2 HA VAL 2 9.674 13.521 -8.747 8 HB VAL 2 HB VAL 2 10.004 11.072 -9.182 9 HG11 VAL 2 1HG1 VAL 2 7.970 10.904 -10.531 10 HG12 VAL 2 2HG1 VAL 2 7.807 12.195 -9.317 11 HG13 VAL 2 3HG1 VAL 2 8.130 12.607 -11.018 12 HG21 VAL 2 3HG2 VAL 2 11.617 11.094 -10.929 13 HG22 VAL 2 1HG2 VAL 2 10.123 10.256 -11.413 14 HG23 VAL 2 2HG2 VAL 2 10.460 11.894 -12.019 15 H ASN 3 H ASN 3 10.939 12.464 -7.132 16 HA ASN 3 HA ASN 3 12.777 12.213 -5.763 17 HB2 ASN 3 1HB ASN 3 13.324 10.516 -7.348 18 HB3 ASN 3 2HB ASN 3 14.266 11.715 -8.288 19 HD21 ASN 3 1HD2 ASN 3 16.091 10.323 -8.003 20 HD22 ASN 3 2HD2 ASN 3 17.011 10.382 -6.476 21 H VAL 4 H VAL 4 13.900 13.591 -4.634 22 HA VAL 4 HA VAL 4 15.390 15.797 -5.231 23 HB VAL 4 HB VAL 4 13.841 16.645 -6.739 24 HG11 VAL 4 1HG1 VAL 4 11.755 17.723 -6.042 25 HG12 VAL 4 2HG1 VAL 4 11.674 15.961 -5.813 26 HG13 VAL 4 3HG1 VAL 4 11.929 17.030 -4.412 27 HG21 VAL 4 3HG2 VAL 4 15.388 18.078 -5.747 28 HG22 VAL 4 1HG2 VAL 4 13.833 18.914 -5.965 29 HG23 VAL 4 2HG2 VAL 4 14.323 18.354 -4.349 30 H GLU 5 H GLU 5 12.361 15.285 -3.392 31 HA GLU 5 HA GLU 5 13.781 15.158 -0.773 32 HB2 GLU 5 1HB GLU 5 12.554 16.965 0.257 33 HB3 GLU 5 2HB GLU 5 13.805 17.477 -0.921 34 HG2 GLU 5 1HG GLU 5 12.206 18.425 -2.367 35 HG3 GLU 5 2HG GLU 5 10.960 17.301 -1.931 36 H LYS 6 H LYS 6 12.812 13.036 -1.062 37 HA LYS 6 HA LYS 6 10.446 12.522 0.320 38 HB2 LYS 6 1HB LYS 6 9.226 13.528 -1.649 39 HB3 LYS 6 2HB LYS 6 9.779 12.170 -2.598 40 HG2 LYS 6 1HG LYS 6 7.617 11.564 -1.777 41 HG3 LYS 6 2HG LYS 6 8.729 10.643 -0.795 42 HD2 LYS 6 1HD LYS 6 8.565 12.576 0.922 43 HD3 LYS 6 2HD LYS 6 7.182 13.124 -0.017 44 HE2 LYS 6 1HE LYS 6 6.209 10.773 0.238 45 HE3 LYS 6 2HE LYS 6 7.508 10.446 1.384 46 HZ1 LYS 6 3HZ LYS 6 5.530 12.614 1.596 47 HZ2 LYS 6 1HZ LYS 6 5.539 11.176 2.468 48 HZ3 LYS 6 2HZ LYS 6 6.769 12.301 2.689 49 H GLN 7 H GLN 7 11.709 11.159 -2.785 50 HA GLN 7 HA GLN 7 11.633 8.577 -2.496 51 HB2 GLN 7 1HB GLN 7 13.363 10.398 -3.972 52 HB3 GLN 7 2HB GLN 7 14.258 8.969 -3.542 53 HG2 GLN 7 1HG GLN 7 13.346 8.427 -5.542 54 HG3 GLN 7 2HG GLN 7 12.199 7.670 -4.388 55 HE21 GLN 7 1HE2 GLN 7 11.632 8.136 -7.075 56 HE22 GLN 7 2HE2 GLN 7 10.490 9.495 -7.255 57 H LYS 8 H LYS 8 11.670 7.781 -0.457 58 HA LYS 8 HA LYS 8 14.461 7.320 0.665 59 HB2 LYS 8 1HB LYS 8 12.690 8.769 1.980 60 HB3 LYS 8 2HB LYS 8 12.037 7.208 2.421 61 HG2 LYS 8 1HG LYS 8 15.002 7.810 2.770 62 HG3 LYS 8 2HG LYS 8 13.826 8.212 3.985 63 HD2 LYS 8 1HD LYS 8 13.301 5.946 4.407 64 HD3 LYS 8 2HD LYS 8 14.019 5.397 2.899 65 HE2 LYS 8 1HE LYS 8 15.640 6.740 5.087 66 HE3 LYS 8 2HE LYS 8 15.399 4.991 4.982 67 HZ1 LYS 8 3HZ LYS 8 16.584 6.698 2.892 68 HZ2 LYS 8 1HZ LYS 8 17.416 5.670 3.932 69 HZ3 LYS 8 2HZ LYS 8 16.355 5.034 2.793 70 HA PRO 9 HA PRO 9 13.195 3.126 -0.674 71 HB2 PRO 9 1HB PRO 9 15.705 2.119 -0.820 72 HB3 PRO 9 2HB PRO 9 15.005 3.086 -2.117 73 HG2 PRO 9 1HG PRO 9 16.896 3.986 0.109 74 HG3 PRO 9 2HG PRO 9 16.987 4.354 -1.613 75 HD2 PRO 9 1HD PRO 9 15.787 6.123 0.210 76 HD3 PRO 9 2HD PRO 9 15.128 5.946 -1.484 77 H ALA 10 H ALA 10 12.213 2.170 0.946 78 HA ALA 10 HA ALA 10 13.276 1.964 3.657 79 HB1 ALA 10 3HB ALA 10 10.769 0.969 2.302 80 HB2 ALA 10 1HB ALA 10 11.109 0.943 4.048 81 HB3 ALA 10 2HB ALA 10 10.957 2.496 3.194 82 H VAL 11 H VAL 11 15.202 0.872 2.497 83 HA VAL 11 HA VAL 11 16.559 -0.899 2.170 84 HB VAL 11 HB VAL 11 14.704 -2.620 3.849 85 HG11 VAL 11 1HG1 VAL 11 16.754 -3.652 4.549 86 HG12 VAL 11 2HG1 VAL 11 16.585 -3.779 2.782 87 HG13 VAL 11 3HG1 VAL 11 17.701 -2.585 3.486 88 HG21 VAL 11 3HG2 VAL 11 15.004 -0.516 5.032 89 HG22 VAL 11 1HG2 VAL 11 15.883 -1.871 5.782 90 HG23 VAL 11 2HG2 VAL 11 16.766 -0.659 4.823 91 H SER 12 H SER 12 16.344 -3.441 1.406 92 HA SER 12 HA SER 12 14.816 -3.558 -1.116 93 HB2 SER 12 1HB SER 12 17.082 -4.635 -0.718 94 HB3 SER 12 2HB SER 12 16.286 -5.790 0.350 95 HG SER 12 HG SER 12 15.135 -5.392 -2.240 96 H VAL 13 H VAL 13 13.418 -5.369 -1.638 97 HA VAL 13 HA VAL 13 11.101 -5.698 0.072 98 HB VAL 13 HB VAL 13 11.122 -5.478 -2.360 99 HG11 VAL 13 1HG1 VAL 13 11.440 -7.480 -3.747 100 HG12 VAL 13 2HG1 VAL 13 12.969 -6.977 -2.989 101 HG13 VAL 13 3HG1 VAL 13 12.069 -8.367 -2.338 102 HG21 VAL 13 3HG2 VAL 13 9.184 -6.034 -1.231 103 HG22 VAL 13 1HG2 VAL 13 9.302 -6.967 -2.741 104 HG23 VAL 13 2HG2 VAL 13 9.632 -7.756 -1.181 105 H ARG 14 H ARG 14 10.485 -8.400 -0.232 106 HA ARG 14 HA ARG 14 10.551 -10.415 0.829 107 HB2 ARG 14 1HB ARG 14 12.720 -10.819 -0.201 108 HB3 ARG 14 2HB ARG 14 13.521 -10.108 1.162 109 HG2 ARG 14 1HG ARG 14 11.628 -12.132 2.075 110 HG3 ARG 14 2HG ARG 14 12.736 -12.772 0.884 111 HD2 ARG 14 1HD ARG 14 13.750 -11.113 3.208 112 HD3 ARG 14 2HD ARG 14 13.452 -12.843 3.348 113 HE ARG 14 HE ARG 14 15.008 -12.446 1.013 114 HH11 ARG 14 1HH1 ARG 14 15.477 -11.699 4.476 115 HH12 ARG 14 2HH1 ARG 14 17.199 -12.158 4.419 116 HH21 ARG 14 1HH2 ARG 14 17.202 -12.953 1.013 117 HH22 ARG 14 2HH2 ARG 14 18.143 -12.841 2.524 118 H LYS 15 H LYS 15 12.845 -8.293 2.672 119 HA LYS 15 HA LYS 15 11.426 -8.857 5.224 120 HB2 LYS 15 1HB LYS 15 13.965 -9.025 4.944 121 HB3 LYS 15 2HB LYS 15 13.967 -7.272 4.850 122 HG2 LYS 15 1HG LYS 15 14.214 -7.527 7.152 123 HG3 LYS 15 2HG LYS 15 12.473 -7.521 7.102 124 HD2 LYS 15 1HD LYS 15 12.858 -9.393 8.382 125 HD3 LYS 15 2HD LYS 15 12.777 -10.153 6.800 126 HE2 LYS 15 1HE LYS 15 14.718 -11.029 7.901 127 HE3 LYS 15 2HE LYS 15 15.320 -9.922 6.668 128 HZ1 LYS 15 3HZ LYS 15 14.965 -9.293 9.521 129 HZ2 LYS 15 1HZ LYS 15 16.418 -9.615 8.738 130 HZ3 LYS 15 2HZ LYS 15 15.538 -8.238 8.344 131 H SER 16 H SER 16 9.989 -7.288 3.193 132 HA SER 16 HA SER 16 9.738 -4.601 4.159 133 HB2 SER 16 1HB SER 16 7.536 -6.210 2.838 134 HB3 SER 16 2HB SER 16 7.845 -4.492 2.743 135 HG SER 16 HG SER 16 8.852 -4.932 0.987 136 H VAL 17 H VAL 17 8.405 -7.686 5.168 137 HA VAL 17 HA VAL 17 6.486 -6.754 7.117 138 HB VAL 17 HB VAL 17 7.707 -9.357 6.216 139 HG11 VAL 17 1HG1 VAL 17 6.402 -10.651 7.830 140 HG12 VAL 17 2HG1 VAL 17 7.638 -9.665 8.648 141 HG13 VAL 17 3HG1 VAL 17 5.934 -9.154 8.670 142 HG21 VAL 17 3HG2 VAL 17 5.746 -8.450 5.027 143 HG22 VAL 17 1HG2 VAL 17 5.312 -9.945 5.891 144 HG23 VAL 17 2HG2 VAL 17 4.844 -8.363 6.559 145 H GLN 18 H GLN 18 7.040 -5.913 9.082 146 HA GLN 18 HA GLN 18 9.394 -7.082 10.501 147 HB2 GLN 18 1HB GLN 18 8.255 -4.394 11.127 148 HB3 GLN 18 2HB GLN 18 9.887 -5.083 11.466 149 HG2 GLN 18 1HG GLN 18 8.854 -4.026 8.842 150 HG3 GLN 18 2HG GLN 18 10.049 -3.258 9.940 151 HE21 GLN 18 1HE2 GLN 18 10.212 -3.955 7.111 152 HE22 GLN 18 2HE2 GLN 18 11.560 -5.036 6.967 153 H ASP 19 H ASP 19 8.930 -6.281 13.028 154 HA ASP 19 HA ASP 19 6.826 -7.924 14.116 155 HB2 ASP 19 1HB ASP 19 8.481 -5.777 15.510 156 HB3 ASP 19 2HB ASP 19 7.583 -7.045 16.270 157 H ASP 20 H ASP 20 4.918 -7.210 13.020 158 HA ASP 20 HA ASP 20 2.924 -6.193 12.860 159 HB2 ASP 20 1HB ASP 20 3.489 -5.628 15.675 160 HB3 ASP 20 2HB ASP 20 2.075 -4.909 14.867 161 H HIS 21 H HIS 21 5.306 -4.733 11.877 162 HA HIS 21 HA HIS 21 3.940 -2.227 11.280 163 HB2 HIS 21 1HB HIS 21 5.911 -0.872 11.521 164 HB3 HIS 21 2HB HIS 21 5.234 -1.483 13.072 165 HD1 HIS 21 HD1 HIS 21 6.816 -3.364 14.289 166 HD2 HIS 21 HD2 HIS 21 8.407 -1.277 11.102 167 HE1 HIS 21 HE1 HIS 21 9.340 -3.315 14.674 168 H ILE 22 H ILE 22 4.030 -1.853 9.248 169 HA ILE 22 HA ILE 22 5.875 -3.449 7.497 170 HB ILE 22 HB ILE 22 3.422 -3.820 7.389 171 HG12 ILE 22 1HG1 ILE 22 4.448 -3.054 4.692 172 HG13 ILE 22 2HG1 ILE 22 5.269 -4.294 5.623 173 HG21 ILE 22 1HG2 ILE 22 2.059 -2.309 6.006 174 HG22 ILE 22 2HG2 ILE 22 2.574 -1.509 7.510 175 HG23 ILE 22 3HG2 ILE 22 3.388 -1.126 5.974 176 HD11 ILE 22 3HD1 ILE 22 2.318 -4.278 4.918 177 HD12 ILE 22 1HD1 ILE 22 3.588 -5.266 4.159 178 HD13 ILE 22 2HD1 ILE 22 3.151 -5.534 5.863 179 H VAL 23 H VAL 23 7.283 -2.438 6.226 180 HA VAL 23 HA VAL 23 8.013 0.370 6.926 181 HB VAL 23 HB VAL 23 9.510 -1.557 6.948 182 HG11 VAL 23 1HG1 VAL 23 10.720 -2.109 4.891 183 HG12 VAL 23 2HG1 VAL 23 9.021 -2.629 4.794 184 HG13 VAL 23 3HG1 VAL 23 9.552 -1.162 3.938 185 HG21 VAL 23 3HG2 VAL 23 10.214 0.605 7.327 186 HG22 VAL 23 1HG2 VAL 23 11.390 -0.243 6.293 187 HG23 VAL 23 2HG2 VAL 23 10.283 0.959 5.585 188 H CYS 24 H CYS 24 7.470 2.174 5.910 189 HA CYS 24 HA CYS 24 5.920 2.088 3.563 190 HB2 CYS 24 1HB CYS 24 5.636 3.743 5.384 191 HB3 CYS 24 2HB CYS 24 7.152 4.514 4.879 192 H LEU 25 H LEU 25 7.162 1.193 1.829 193 HA LEU 25 HA LEU 25 9.550 2.132 0.786 194 HB2 LEU 25 1HB LEU 25 7.067 1.110 -0.478 195 HB3 LEU 25 2HB LEU 25 8.432 1.732 -1.468 196 HG LEU 25 HG LEU 25 8.689 -0.693 -1.330 197 HD11 LEU 25 1HD1 LEU 25 10.794 -0.979 -0.356 198 HD12 LEU 25 2HD1 LEU 25 10.699 0.511 -1.326 199 HD13 LEU 25 3HD1 LEU 25 10.671 0.603 0.451 200 HD21 LEU 25 3HD2 LEU 25 7.245 -1.122 0.604 201 HD22 LEU 25 1HD2 LEU 25 8.838 -1.906 0.728 202 HD23 LEU 25 2HD2 LEU 25 8.495 -0.435 1.669 203 H GLU 26 H GLU 26 10.236 3.792 -0.404 204 HA GLU 26 HA GLU 26 10.500 5.864 -1.215 205 HB2 GLU 26 1HB GLU 26 8.537 5.239 -2.576 206 HB3 GLU 26 2HB GLU 26 7.538 6.174 -1.416 207 HG2 GLU 26 1HG GLU 26 8.701 8.255 -2.045 208 HG3 GLU 26 2HG GLU 26 9.849 7.394 -3.020 209 H CYS 27 H CYS 27 9.226 5.249 1.798 210 HA CYS 27 HA CYS 27 9.171 8.166 2.494 211 HB2 CYS 27 1HB CYS 27 6.922 6.713 2.516 212 HB3 CYS 27 2HB CYS 27 7.515 6.355 4.150 213 H GLY 28 H GLY 28 9.515 4.725 3.900 214 HA2 GLY 28 1HA GLY 28 11.572 4.101 5.003 215 HA3 GLY 28 2HA GLY 28 11.762 5.716 5.609 216 H GLY 29 H GLY 29 9.331 6.369 6.722 217 HA2 GLY 29 1HA GLY 29 9.272 5.177 9.257 218 HA3 GLY 29 2HA GLY 29 7.934 6.028 8.547 219 H SER 30 H SER 30 7.975 3.765 10.351 220 HA SER 30 HA SER 30 6.618 1.636 8.705 221 HB2 SER 30 1HB SER 30 8.423 1.475 11.090 222 HB3 SER 30 2HB SER 30 7.235 0.216 10.711 223 HG SER 30 HG SER 30 8.537 0.922 8.402 224 H PHE 31 H PHE 31 4.796 0.780 9.293 225 HA PHE 31 HA PHE 31 3.388 1.592 11.738 226 HB2 PHE 31 1HB PHE 31 1.447 2.372 10.240 227 HB3 PHE 31 2HB PHE 31 2.821 3.478 10.569 228 HD1 PHE 31 HD1 PHE 31 2.543 0.716 7.931 229 HD2 PHE 31 HD2 PHE 31 2.739 4.914 8.808 230 HE1 PHE 31 HE1 PHE 31 3.496 1.131 5.703 231 HE2 PHE 31 HE2 PHE 31 3.568 5.328 6.527 232 HZ PHE 31 HZ PHE 31 3.602 3.468 4.876 233 H LYS 32 H LYS 32 1.359 0.600 12.123 234 HA LYS 32 HA LYS 32 0.973 -2.036 11.298 235 HB2 LYS 32 1HB LYS 32 -1.052 -1.935 12.538 236 HB3 LYS 32 2HB LYS 32 0.304 -1.138 13.399 237 HG2 LYS 32 1HG LYS 32 -0.715 1.071 12.425 238 HG3 LYS 32 2HG LYS 32 -2.173 0.105 12.186 239 HD2 LYS 32 1HD LYS 32 -2.534 0.920 14.357 240 HD3 LYS 32 2HD LYS 32 -1.744 -0.600 14.734 241 HE2 LYS 32 1HE LYS 32 -0.537 0.874 16.060 242 HE3 LYS 32 2HE LYS 32 0.476 0.863 14.621 243 HZ1 LYS 32 3HZ LYS 32 -1.602 2.846 15.246 244 HZ2 LYS 32 1HZ LYS 32 0.061 3.053 15.389 245 HZ3 LYS 32 2HZ LYS 32 -0.634 2.836 13.872 246 H SER 33 H SER 33 0.061 0.803 9.453 247 HA SER 33 HA SER 33 -1.117 -0.925 7.378 248 HB2 SER 33 1HB SER 33 -3.148 0.376 7.146 249 HB3 SER 33 2HB SER 33 -3.108 -0.364 8.738 250 HG SER 33 HG SER 33 -1.954 2.228 8.533 251 H LEU 34 H LEU 34 -0.626 -0.285 5.427 252 HA LEU 34 HA LEU 34 0.591 2.385 4.967 253 HB2 LEU 34 1HB LEU 34 1.272 -0.131 4.110 254 HB3 LEU 34 2HB LEU 34 0.321 0.523 2.729 255 HG LEU 34 HG LEU 34 2.905 1.534 3.895 256 HD11 LEU 34 1HD1 LEU 34 3.689 1.185 1.581 257 HD12 LEU 34 2HD1 LEU 34 3.077 -0.309 2.329 258 HD13 LEU 34 3HD1 LEU 34 2.079 0.566 1.144 259 HD21 LEU 34 3HD2 LEU 34 1.570 3.536 3.431 260 HD22 LEU 34 1HD2 LEU 34 2.900 3.355 2.262 261 HD23 LEU 34 2HD2 LEU 34 1.235 2.939 1.788 262 H LYS 35 H LYS 35 -2.255 0.378 4.081 263 HA LYS 35 HA LYS 35 -3.223 1.302 1.821 264 HB2 LYS 35 1HB LYS 35 -4.257 -0.256 3.692 265 HB3 LYS 35 2HB LYS 35 -5.194 1.183 4.091 266 HG2 LYS 35 1HG LYS 35 -5.687 1.319 1.560 267 HG3 LYS 35 2HG LYS 35 -5.120 -0.386 1.530 268 HD2 LYS 35 1HD LYS 35 -7.427 0.694 3.152 269 HD3 LYS 35 2HD LYS 35 -7.547 -0.211 1.603 270 HE2 LYS 35 1HE LYS 35 -8.020 -1.903 3.133 271 HE3 LYS 35 2HE LYS 35 -6.284 -2.093 3.012 272 HZ1 LYS 35 3HZ LYS 35 -7.706 -0.573 5.077 273 HZ2 LYS 35 1HZ LYS 35 -7.014 -2.098 5.234 274 HZ3 LYS 35 2HZ LYS 35 -6.038 -0.756 4.962 275 H ARG 36 H ARG 36 -4.053 2.981 4.875 276 HA ARG 36 HA ARG 36 -5.260 5.356 3.662 277 HB2 ARG 36 1HB ARG 36 -5.050 4.267 6.187 278 HB3 ARG 36 2HB ARG 36 -4.223 5.835 6.257 279 HG2 ARG 36 1HG ARG 36 -6.774 5.895 4.684 280 HG3 ARG 36 2HG ARG 36 -7.007 5.535 6.365 281 HD2 ARG 36 1HD ARG 36 -5.360 7.873 5.434 282 HD3 ARG 36 2HD ARG 36 -7.123 7.925 5.706 283 HE ARG 36 HE ARG 36 -5.706 6.742 7.956 284 HH11 ARG 36 1HH1 ARG 36 -6.781 9.905 6.653 285 HH12 ARG 36 2HH1 ARG 36 -6.544 10.703 8.231 286 HH21 ARG 36 1HH2 ARG 36 -5.565 7.788 9.906 287 HH22 ARG 36 2HH2 ARG 36 -5.882 9.540 10.016 288 H HIS 37 H HIS 37 -2.276 5.470 5.582 289 HA HIS 37 HA HIS 37 -1.035 7.638 4.945 290 HB2 HIS 37 1HB HIS 37 -0.037 6.121 6.413 291 HB3 HIS 37 2HB HIS 37 0.289 4.958 5.090 292 HD1 HIS 37 HD1 HIS 37 1.653 7.949 6.847 293 HD2 HIS 37 HD2 HIS 37 2.383 5.777 3.300 294 HE1 HIS 37 HE1 HIS 37 3.960 8.677 5.986 295 H LEU 38 H LEU 38 -0.851 4.748 2.753 296 HA LEU 38 HA LEU 38 0.688 5.762 0.658 297 HB2 LEU 38 1HB LEU 38 0.019 3.461 1.018 298 HB3 LEU 38 2HB LEU 38 -1.625 3.897 0.421 299 HG LEU 38 HG LEU 38 0.203 2.757 -1.198 300 HD11 LEU 38 1HD1 LEU 38 -0.962 3.666 -3.052 301 HD12 LEU 38 2HD1 LEU 38 -2.080 3.202 -1.747 302 HD13 LEU 38 3HD1 LEU 38 -1.693 4.917 -2.020 303 HD21 LEU 38 3HD2 LEU 38 1.910 4.493 -0.907 304 HD22 LEU 38 1HD2 LEU 38 1.309 4.372 -2.578 305 HD23 LEU 38 2HD2 LEU 38 0.764 5.703 -1.530 306 H THR 39 H THR 39 -2.864 5.466 0.495 307 HA THR 39 HA THR 39 -3.271 7.289 -1.650 308 HB THR 39 HB THR 39 -5.321 6.443 0.430 309 HG1 THR 39 HG1 THR 39 -5.563 4.893 -1.590 310 HG21 THR 39 3HG2 THR 39 -5.606 7.238 -2.467 311 HG22 THR 39 1HG2 THR 39 -6.883 6.660 -1.372 312 HG23 THR 39 2HG2 THR 39 -6.093 8.225 -1.068 313 H THR 40 H THR 40 -3.062 7.956 1.818 314 HA THR 40 HA THR 40 -3.896 10.782 1.845 315 HB THR 40 HB THR 40 -2.041 9.392 3.784 316 HG1 THR 40 HG1 THR 40 -4.851 9.763 4.132 317 HG21 THR 40 3HG2 THR 40 -3.855 11.788 4.049 318 HG22 THR 40 1HG2 THR 40 -2.865 11.033 5.321 319 HG23 THR 40 2HG2 THR 40 -2.080 11.839 3.942 320 H HIS 41 H HIS 41 -0.515 9.443 1.919 321 HA HIS 41 HA HIS 41 0.466 12.191 1.528 322 HB2 HIS 41 1HB HIS 41 1.848 9.712 2.511 323 HB3 HIS 41 2HB HIS 41 2.715 11.150 2.068 324 HD1 HIS 41 HD1 HIS 41 -0.170 12.632 3.470 325 HD2 HIS 41 HD2 HIS 41 3.084 10.498 4.873 326 HE1 HIS 41 HE1 HIS 41 0.194 13.402 5.884 327 H HIS 42 H HIS 42 2.044 9.220 0.314 328 HA HIS 42 HA HIS 42 2.799 10.081 -2.175 329 HB2 HIS 42 1HB HIS 42 1.967 7.266 -1.776 330 HB3 HIS 42 2HB HIS 42 3.377 7.966 -2.629 331 HD1 HIS 42 HD1 HIS 42 5.511 8.417 -1.294 332 HD2 HIS 42 HD2 HIS 42 2.280 7.007 1.030 333 HE1 HIS 42 HE1 HIS 42 6.456 7.817 1.018 334 H SER 43 H SER 43 -0.499 9.078 -1.126 335 HA SER 43 HA SER 43 -2.541 9.391 -2.124 336 HB2 SER 43 1HB SER 43 -1.187 10.529 -4.555 337 HB3 SER 43 2HB SER 43 -2.907 10.487 -4.212 338 HG SER 43 HG SER 43 -0.875 11.842 -2.687 339 H MET 44 H MET 44 -3.409 8.708 -4.634 340 HA MET 44 HA MET 44 -3.767 7.037 -6.179 341 HB2 MET 44 1HB MET 44 -0.918 6.110 -5.619 342 HB3 MET 44 2HB MET 44 -1.912 5.529 -6.911 343 HG2 MET 44 1HG MET 44 -1.990 7.796 -7.909 344 HG3 MET 44 2HG MET 44 -1.064 8.432 -6.585 345 HE1 MET 44 3HE MET 44 1.116 6.225 -5.981 346 HE2 MET 44 1HE MET 44 2.423 6.760 -7.063 347 HE3 MET 44 2HE MET 44 1.474 7.960 -6.154 348 H THR 45 H THR 45 -3.987 4.638 -6.560 349 HA THR 45 HA THR 45 -5.143 3.305 -4.217 350 HB THR 45 HB THR 45 -5.806 1.547 -5.753 351 HG1 THR 45 HG1 THR 45 -5.385 2.043 -8.056 352 HG21 THR 45 3HG2 THR 45 -6.352 4.300 -6.883 353 HG22 THR 45 1HG2 THR 45 -7.288 2.816 -7.177 354 HG23 THR 45 2HG2 THR 45 -7.244 3.533 -5.549 355 HA PRO 46 HA PRO 46 -1.684 0.900 -2.913 356 HB2 PRO 46 1HB PRO 46 -2.838 -1.481 -2.402 357 HB3 PRO 46 2HB PRO 46 -2.830 -0.017 -1.306 358 HG2 PRO 46 1HG PRO 46 -5.061 -0.992 -3.206 359 HG3 PRO 46 2HG PRO 46 -5.253 -0.433 -1.546 360 HD2 PRO 46 1HD PRO 46 -5.672 1.312 -3.585 361 HD3 PRO 46 2HD PRO 46 -4.833 1.869 -2.137 362 H GLU 47 H GLU 47 -3.885 -0.944 -5.149 363 HA GLU 47 HA GLU 47 -1.927 -2.584 -6.279 364 HB2 GLU 47 1HB GLU 47 -4.671 -1.850 -7.034 365 HB3 GLU 47 2HB GLU 47 -3.646 -2.415 -8.331 366 HG2 GLU 47 1HG GLU 47 -4.700 -4.371 -7.362 367 HG3 GLU 47 2HG GLU 47 -3.055 -4.442 -6.835 368 H GLU 48 H GLU 48 -2.924 0.719 -7.370 369 HA GLU 48 HA GLU 48 -1.137 0.796 -9.686 370 HB2 GLU 48 1HB GLU 48 -3.109 2.363 -9.184 371 HB3 GLU 48 2HB GLU 48 -2.055 3.208 -8.097 372 HG2 GLU 48 1HG GLU 48 -0.559 3.805 -9.839 373 HG3 GLU 48 2HG GLU 48 -1.350 2.700 -10.983 374 H TYR 49 H TYR 49 -0.705 1.678 -6.256 375 HA TYR 49 HA TYR 49 1.959 2.712 -6.449 376 HB2 TYR 49 1HB TYR 49 0.413 2.909 -4.474 377 HB3 TYR 49 2HB TYR 49 0.815 1.241 -4.064 378 HD1 TYR 49 HD1 TYR 49 2.627 4.376 -5.098 379 HD2 TYR 49 HD2 TYR 49 2.501 0.957 -2.499 380 HE1 TYR 49 HE1 TYR 49 4.488 5.318 -3.791 381 HE2 TYR 49 HE2 TYR 49 4.361 1.896 -1.170 382 HH TYR 49 HH TYR 49 5.525 5.196 -1.772 383 H ARG 50 H ARG 50 0.909 -0.758 -5.966 384 HA ARG 50 HA ARG 50 3.419 -1.930 -5.650 385 HB2 ARG 50 1HB ARG 50 2.598 -3.857 -5.981 386 HB3 ARG 50 2HB ARG 50 1.103 -2.912 -5.610 387 HG2 ARG 50 1HG ARG 50 0.379 -4.352 -7.319 388 HG3 ARG 50 2HG ARG 50 0.804 -2.946 -8.241 389 HD2 ARG 50 1HD ARG 50 2.448 -3.987 -9.316 390 HD3 ARG 50 2HD ARG 50 3.048 -4.803 -7.856 391 HE ARG 50 HE ARG 50 0.503 -5.912 -8.511 392 HH11 ARG 50 1HH1 ARG 50 3.609 -5.723 -10.261 393 HH12 ARG 50 2HH1 ARG 50 3.457 -7.396 -10.862 394 HH21 ARG 50 1HH2 ARG 50 0.361 -7.973 -9.402 395 HH22 ARG 50 2HH2 ARG 50 1.645 -8.583 -10.386 396 H GLU 51 H GLU 51 1.935 -0.795 -8.731 397 HA GLU 51 HA GLU 51 3.902 -1.805 -10.549 398 HB2 GLU 51 1HB GLU 51 1.536 -0.974 -11.036 399 HB3 GLU 51 2HB GLU 51 2.190 0.641 -10.961 400 HG2 GLU 51 1HG GLU 51 3.746 0.154 -12.808 401 HG3 GLU 51 2HG GLU 51 3.289 -1.523 -12.815 402 H LYS 52 H LYS 52 3.764 1.280 -8.681 403 HA LYS 52 HA LYS 52 5.964 2.681 -9.744 404 HB2 LYS 52 1HB LYS 52 4.535 3.789 -8.366 405 HB3 LYS 52 2HB LYS 52 4.627 2.525 -7.087 406 HG2 LYS 52 1HG LYS 52 5.694 4.569 -6.380 407 HG3 LYS 52 2HG LYS 52 6.891 3.247 -6.556 408 HD2 LYS 52 1HD LYS 52 7.511 4.235 -8.789 409 HD3 LYS 52 2HD LYS 52 6.468 5.618 -8.405 410 HE2 LYS 52 1HE LYS 52 7.816 6.079 -6.365 411 HE3 LYS 52 2HE LYS 52 8.832 4.680 -6.701 412 HZ1 LYS 52 3HZ LYS 52 8.520 7.035 -8.432 413 HZ2 LYS 52 1HZ LYS 52 9.828 6.688 -7.435 414 HZ3 LYS 52 2HZ LYS 52 9.489 5.699 -8.753 415 H TRP 53 H TRP 53 5.950 0.385 -6.988 416 HA TRP 53 HA TRP 53 8.918 0.241 -7.071 417 HB2 TRP 53 1HB TRP 53 6.804 -0.832 -5.170 418 HB3 TRP 53 2HB TRP 53 8.485 -1.315 -5.043 419 HD1 TRP 53 HD1 TRP 53 6.216 1.722 -4.568 420 HE1 TRP 53 HE1 TRP 53 7.543 3.626 -3.483 421 HE3 TRP 53 HE3 TRP 53 10.718 -0.525 -4.568 422 HZ2 TRP 53 HZ2 TRP 53 10.261 4.080 -2.796 423 HZ3 TRP 53 HZ3 TRP 53 12.681 0.618 -3.562 424 HH2 TRP 53 HH2 TRP 53 12.445 2.923 -2.680 425 H ASP 54 H ASP 54 6.853 -1.131 -9.051 426 HA ASP 54 HA ASP 54 6.573 -3.207 -10.215 427 HB2 ASP 54 1HB ASP 54 9.440 -3.674 -9.528 428 HB3 ASP 54 2HB ASP 54 8.490 -4.242 -10.936 429 H LEU 55 H LEU 55 5.856 -3.270 -7.364 430 HA LEU 55 HA LEU 55 7.101 -5.350 -5.910 431 HB2 LEU 55 1HB LEU 55 4.816 -3.515 -5.464 432 HB3 LEU 55 2HB LEU 55 4.776 -5.003 -4.569 433 HG LEU 55 HG LEU 55 7.215 -3.216 -4.635 434 HD11 LEU 55 1HD1 LEU 55 6.399 -2.410 -2.456 435 HD12 LEU 55 2HD1 LEU 55 5.240 -2.010 -3.746 436 HD13 LEU 55 3HD1 LEU 55 4.912 -3.369 -2.646 437 HD21 LEU 55 3HD2 LEU 55 7.608 -5.563 -3.967 438 HD22 LEU 55 1HD2 LEU 55 7.770 -4.449 -2.588 439 HD23 LEU 55 2HD2 LEU 55 6.299 -5.435 -2.768 440 HA PRO 56 HA PRO 56 5.188 -8.893 -7.964 441 HB2 PRO 56 1HB PRO 56 6.315 -10.785 -6.367 442 HB3 PRO 56 2HB PRO 56 7.198 -10.013 -7.683 443 HG2 PRO 56 1HG PRO 56 7.251 -9.320 -4.707 444 HG3 PRO 56 2HG PRO 56 8.617 -9.508 -5.804 445 HD2 PRO 56 1HD PRO 56 7.542 -6.978 -5.265 446 HD3 PRO 56 2HD PRO 56 8.113 -7.377 -6.957 447 H VAL 57 H VAL 57 3.516 -10.119 -7.628 448 HA VAL 57 HA VAL 57 1.469 -10.678 -6.948 449 HB VAL 57 HB VAL 57 2.964 -12.170 -5.735 450 HG11 VAL 57 1HG1 VAL 57 2.850 -12.202 -3.289 451 HG12 VAL 57 2HG1 VAL 57 3.732 -10.770 -3.871 452 HG13 VAL 57 3HG1 VAL 57 2.057 -10.609 -3.294 453 HG21 VAL 57 3HG2 VAL 57 0.764 -12.715 -6.257 454 HG22 VAL 57 1HG2 VAL 57 1.151 -13.263 -4.609 455 HG23 VAL 57 2HG2 VAL 57 0.144 -11.816 -4.853 456 H ASP 58 H ASP 58 2.133 -7.744 -6.669 457 HA ASP 58 HA ASP 58 1.356 -5.745 -5.561 458 HB2 ASP 58 1HB ASP 58 -0.973 -5.547 -5.293 459 HB3 ASP 58 2HB ASP 58 -0.344 -5.965 -6.924 460 H TYR 59 H TYR 59 2.851 -6.575 -3.890 461 HA TYR 59 HA TYR 59 2.417 -7.728 -1.475 462 HB2 TYR 59 1HB TYR 59 4.492 -6.494 -2.413 463 HB3 TYR 59 2HB TYR 59 3.803 -5.004 -1.814 464 HD1 TYR 59 HD1 TYR 59 4.983 -8.361 -0.812 465 HD2 TYR 59 HD2 TYR 59 3.897 -4.409 0.485 466 HE1 TYR 59 HE1 TYR 59 5.741 -8.911 1.488 467 HE2 TYR 59 HE2 TYR 59 4.784 -4.911 2.740 468 HH TYR 59 HH TYR 59 5.657 -6.380 4.078 469 HA PRO 60 HA PRO 60 -1.024 -5.843 0.450 470 HB2 PRO 60 1HB PRO 60 -0.666 -6.572 3.083 471 HB3 PRO 60 2HB PRO 60 -1.206 -7.697 1.838 472 HG2 PRO 60 1HG PRO 60 1.632 -7.255 2.888 473 HG3 PRO 60 2HG PRO 60 0.794 -8.784 2.636 474 HD2 PRO 60 1HD PRO 60 2.507 -7.748 0.677 475 HD3 PRO 60 2HD PRO 60 0.957 -8.578 0.171 476 H MET 61 H MET 61 -1.676 -3.981 1.251 477 HA MET 61 HA MET 61 0.260 -2.158 2.494 478 HB2 MET 61 1HB MET 61 -2.317 -1.783 0.966 479 HB3 MET 61 2HB MET 61 -1.760 -0.516 2.022 480 HG2 MET 61 1HG MET 61 -0.926 -0.020 -0.069 481 HG3 MET 61 2HG MET 61 0.472 -0.671 0.844 482 HE1 MET 61 3HE MET 61 2.116 -1.530 -0.770 483 HE2 MET 61 1HE MET 61 1.710 -2.135 -2.393 484 HE3 MET 61 2HE MET 61 1.249 -0.483 -1.919 485 H VAL 62 H VAL 62 -0.789 -4.304 4.214 486 HA VAL 62 HA VAL 62 -2.200 -2.698 6.211 487 HB VAL 62 HB VAL 62 -3.102 -5.550 5.932 488 HG11 VAL 62 1HG1 VAL 62 -5.099 -4.588 7.042 489 HG12 VAL 62 2HG1 VAL 62 -3.621 -4.227 7.965 490 HG13 VAL 62 3HG1 VAL 62 -4.368 -2.967 6.955 491 HG21 VAL 62 3HG2 VAL 62 -3.589 -4.736 3.722 492 HG22 VAL 62 1HG2 VAL 62 -5.068 -4.953 4.689 493 HG23 VAL 62 2HG2 VAL 62 -4.420 -3.319 4.408 494 H ALA 63 H ALA 63 -1.791 -3.737 8.454 495 HA ALA 63 HA ALA 63 0.657 -4.424 9.288 496 HB1 ALA 63 3HB ALA 63 -1.891 -5.769 10.191 497 HB2 ALA 63 1HB ALA 63 -0.364 -5.649 11.097 498 HB3 ALA 63 2HB ALA 63 -1.297 -4.179 10.728 499 HA PRO 64 HA PRO 64 2.419 -7.737 7.249 500 HB2 PRO 64 1HB PRO 64 3.842 -8.912 9.219 501 HB3 PRO 64 2HB PRO 64 4.308 -7.435 8.245 502 HG2 PRO 64 1HG PRO 64 3.042 -7.566 11.059 503 HG3 PRO 64 2HG PRO 64 4.394 -6.557 10.556 504 HD2 PRO 64 1HD PRO 64 1.914 -5.479 10.561 505 HD3 PRO 64 2HD PRO 64 2.982 -5.122 9.206 506 H ALA 65 H ALA 65 0.811 -8.723 10.331 507 HA ALA 65 HA ALA 65 -0.167 -11.202 8.930 508 HB1 ALA 65 3HB ALA 65 0.725 -10.888 11.774 509 HB2 ALA 65 1HB ALA 65 -0.019 -12.324 11.030 510 HB3 ALA 65 2HB ALA 65 1.576 -11.760 10.477 511 H TYR 66 H TYR 66 -1.529 -8.703 8.784 512 HA TYR 66 HA TYR 66 -3.479 -8.345 10.859 513 HB2 TYR 66 1HB TYR 66 -2.883 -6.640 9.060 514 HB3 TYR 66 2HB TYR 66 -3.772 -7.576 7.905 515 HD1 TYR 66 HD1 TYR 66 -4.018 -5.523 10.938 516 HD2 TYR 66 HD2 TYR 66 -6.167 -7.590 7.850 517 HE1 TYR 66 HE1 TYR 66 -6.072 -4.272 11.535 518 HE2 TYR 66 HE2 TYR 66 -8.224 -6.341 8.446 519 HH TYR 66 HH TYR 66 -8.114 -3.481 10.296 520 H ALA 67 H ALA 67 -3.679 -10.205 7.830 521 HA ALA 67 HA ALA 67 -5.551 -12.115 8.568 522 HB1 ALA 67 3HB ALA 67 -6.711 -9.808 6.920 523 HB2 ALA 67 1HB ALA 67 -7.517 -11.366 7.221 524 HB3 ALA 67 2HB ALA 67 -7.204 -10.252 8.572 525 H GLU 68 H GLU 68 -6.332 -13.246 6.375 526 HA GLU 68 HA GLU 68 -6.163 -13.896 4.174 527 HB2 GLU 68 1HB GLU 68 -4.644 -11.318 3.661 528 HB3 GLU 68 2HB GLU 68 -5.300 -12.381 2.463 529 HG2 GLU 68 1HG GLU 68 -7.485 -11.770 2.902 530 HG3 GLU 68 2HG GLU 68 -7.137 -11.258 4.555 531 H ALA 69 H ALA 69 -3.645 -13.355 2.592 532 HA ALA 69 HA ALA 69 -1.669 -14.432 2.126 533 HB1 ALA 69 3HB ALA 69 -1.093 -13.445 4.891 534 HB2 ALA 69 1HB ALA 69 0.121 -13.968 3.699 535 HB3 ALA 69 2HB ALA 69 -0.929 -12.574 3.348 536 H ARG 70 H ARG 70 -3.457 -16.485 2.678 537 HA ARG 70 HA ARG 70 -1.809 -18.445 4.146 538 HB2 ARG 70 1HB ARG 70 -4.287 -17.775 4.734 539 HB3 ARG 70 2HB ARG 70 -4.734 -18.777 3.374 540 HG2 ARG 70 1HG ARG 70 -4.839 -20.150 5.322 541 HG3 ARG 70 2HG ARG 70 -3.405 -20.672 4.452 542 HD2 ARG 70 1HD ARG 70 -2.298 -18.756 6.064 543 HD3 ARG 70 2HD ARG 70 -3.625 -19.304 7.085 544 HE ARG 70 HE ARG 70 -1.202 -20.701 6.469 545 HH11 ARG 70 1HH1 ARG 70 -4.649 -21.425 7.171 546 HH12 ARG 70 2HH1 ARG 70 -4.245 -23.073 7.719 547 HH21 ARG 70 1HH2 ARG 70 -0.800 -22.756 7.168 548 HH22 ARG 70 2HH2 ARG 70 -2.136 -23.802 7.718 549 H SER 71 H SER 71 -1.137 -17.775 1.350 550 HA SER 71 HA SER 71 -0.988 -18.446 -0.795 551 HB2 SER 71 1HB SER 71 0.401 -19.967 0.812 552 HB3 SER 71 2HB SER 71 -0.656 -21.235 0.144 553 HG SER 71 HG SER 71 0.640 -19.272 -1.565 554 H ARG 72 H ARG 72 -3.843 -19.296 0.586 555 HA ARG 72 HA ARG 72 -5.004 -20.091 -1.991 556 HB2 ARG 72 1HB ARG 72 -4.472 -22.120 -0.789 557 HB3 ARG 72 2HB ARG 72 -5.282 -21.493 0.685 558 HG2 ARG 72 1HG ARG 72 -7.446 -21.769 -0.289 559 HG3 ARG 72 2HG ARG 72 -6.786 -22.005 -1.904 560 HD2 ARG 72 1HD ARG 72 -5.901 -23.896 0.236 561 HD3 ARG 72 2HD ARG 72 -7.567 -24.036 -0.389 562 HE ARG 72 HE ARG 72 -6.299 -23.906 -2.717 563 HH11 ARG 72 1HH1 ARG 72 -4.796 -25.562 0.079 564 HH12 ARG 72 2HH1 ARG 72 -4.135 -26.848 -0.966 565 HH21 ARG 72 1HH2 ARG 72 -5.373 -25.487 -3.943 566 HH22 ARG 72 2HH2 ARG 72 -4.445 -26.802 -3.174 567 H LEU 73 H LEU 73 -5.303 -17.698 -1.666 568 HA LEU 73 HA LEU 73 -7.648 -16.989 0.050 569 HB2 LEU 73 1HB LEU 73 -5.316 -15.942 0.294 570 HB3 LEU 73 2HB LEU 73 -5.821 -14.996 -1.153 571 HG LEU 73 HG LEU 73 -6.188 -13.736 0.952 572 HD11 LEU 73 1HD1 LEU 73 -8.412 -13.024 0.631 573 HD12 LEU 73 2HD1 LEU 73 -7.517 -13.164 -0.901 574 HD13 LEU 73 3HD1 LEU 73 -8.721 -14.397 -0.458 575 HD21 LEU 73 3HD2 LEU 73 -6.592 -15.643 2.462 576 HD22 LEU 73 1HD2 LEU 73 -7.907 -14.446 2.525 577 HD23 LEU 73 2HD2 LEU 73 -8.131 -15.968 1.628 578 H ALA 74 H ALA 74 -6.237 -15.692 -3.014 579 HA ALA 74 HA ALA 74 -7.142 -15.096 -5.075 580 HB1 ALA 74 3HB ALA 74 -9.173 -17.186 -4.493 581 HB2 ALA 74 1HB ALA 74 -8.883 -16.344 -6.033 582 HB3 ALA 74 2HB ALA 74 -7.621 -17.389 -5.340 583 H LYS 75 H LYS 75 -8.876 -14.006 -6.164 584 HA LYS 75 HA LYS 75 -10.090 -12.109 -6.328 585 HB2 LYS 75 1HB LYS 75 -11.573 -14.101 -4.889 586 HB3 LYS 75 2HB LYS 75 -12.151 -12.433 -4.564 587 HG2 LYS 75 1HG LYS 75 -13.411 -13.355 -6.363 588 HG3 LYS 75 2HG LYS 75 -12.318 -12.085 -7.011 589 HD2 LYS 75 1HD LYS 75 -11.342 -14.931 -7.226 590 HD3 LYS 75 2HD LYS 75 -12.651 -14.493 -8.264 591 HE2 LYS 75 1HE LYS 75 -10.018 -12.999 -8.124 592 HE3 LYS 75 2HE LYS 75 -10.475 -14.189 -9.327 593 HZ1 LYS 75 3HZ LYS 75 -11.843 -11.643 -8.825 594 HZ2 LYS 75 1HZ LYS 75 -10.799 -12.000 -10.094 595 HZ3 LYS 75 2HZ LYS 75 -12.281 -12.785 -9.979 596 H GLU 76 H GLU 76 -8.274 -10.829 -5.389 597 HA GLU 76 HA GLU 76 -9.225 -9.127 -3.188 598 HB2 GLU 76 1HB GLU 76 -7.919 -11.192 -2.315 599 HB3 GLU 76 2HB GLU 76 -6.486 -10.361 -2.998 600 HG2 GLU 76 1HG GLU 76 -6.632 -9.778 -0.621 601 HG3 GLU 76 2HG GLU 76 -7.077 -8.355 -1.525 602 H MET 77 H MET 77 -9.358 -7.530 -4.787 603 HA MET 77 HA MET 77 -6.884 -6.050 -5.279 604 HB2 MET 77 1HB MET 77 -6.932 -7.665 -7.219 605 HB3 MET 77 2HB MET 77 -8.507 -7.083 -7.665 606 HG2 MET 77 1HG MET 77 -7.462 -4.747 -7.916 607 HG3 MET 77 2HG MET 77 -5.913 -5.502 -7.714 608 HE1 MET 77 3HE MET 77 -6.232 -3.849 -10.092 609 HE2 MET 77 1HE MET 77 -7.064 -4.503 -11.522 610 HE3 MET 77 2HE MET 77 -8.003 -4.017 -10.091 611 H GLY 78 H GLY 78 -8.153 -4.843 -3.707 612 HA2 GLY 78 1HA GLY 78 -9.641 -3.069 -3.081 613 HA3 GLY 78 2HA GLY 78 -9.426 -2.481 -4.705 614 H LEU 79 H LEU 79 -11.382 -1.752 -5.154 615 HA LEU 79 HA LEU 79 -13.744 -3.490 -4.894 616 HB2 LEU 79 1HB LEU 79 -13.431 -0.645 -5.877 617 HB3 LEU 79 2HB LEU 79 -14.971 -1.556 -5.775 618 HG LEU 79 HG LEU 79 -14.089 -1.784 -3.213 619 HD11 LEU 79 1HD1 LEU 79 -13.217 0.349 -2.453 620 HD12 LEU 79 2HD1 LEU 79 -12.090 -0.473 -3.558 621 HD13 LEU 79 3HD1 LEU 79 -13.065 0.897 -4.138 622 HD21 LEU 79 3HD2 LEU 79 -16.319 -1.025 -3.975 623 HD22 LEU 79 1HD2 LEU 79 -15.670 0.042 -2.707 624 HD23 LEU 79 2HD2 LEU 79 -15.629 0.557 -4.410 625 H GLY 80 H GLY 80 -14.265 -4.862 -6.501 626 HA2 GLY 80 1HA GLY 80 -13.071 -5.163 -8.930 627 HA3 GLY 80 2HA GLY 80 -14.745 -5.671 -8.530 628 H GLN 81 H GLN 81 -15.726 -2.982 -8.192 629 HA GLN 81 HA GLN 81 -15.374 -1.718 -10.897 630 HB2 GLN 81 1HB GLN 81 -17.598 -3.262 -10.253 631 HB3 GLN 81 2HB GLN 81 -18.138 -1.648 -9.790 632 HG2 GLN 81 1HG GLN 81 -18.320 -0.986 -11.942 633 HG3 GLN 81 2HG GLN 81 -16.742 -1.659 -12.380 634 HE21 GLN 81 1HE2 GLN 81 -16.573 -3.775 -13.159 635 HE22 GLN 81 2HE2 GLN 81 -17.999 -4.757 -13.583 636 H ARG 82 H ARG 82 -15.274 0.506 -10.808 637 HA ARG 82 HA ARG 82 -16.246 2.140 -8.580 638 HB2 ARG 82 1HB ARG 82 -14.136 3.035 -7.958 639 HB3 ARG 82 2HB ARG 82 -14.471 1.359 -7.397 640 HG2 ARG 82 1HG ARG 82 -12.292 0.984 -8.020 641 HG3 ARG 82 2HG ARG 82 -12.921 0.898 -9.639 642 HD2 ARG 82 1HD ARG 82 -12.334 3.113 -10.120 643 HD3 ARG 82 2HD ARG 82 -12.021 3.476 -8.392 644 HE ARG 82 HE ARG 82 -10.458 1.198 -9.252 645 HH11 ARG 82 1HH1 ARG 82 -10.413 4.672 -9.961 646 HH12 ARG 82 2HH1 ARG 82 -8.685 4.748 -9.983 647 HH21 ARG 82 1HH2 ARG 82 -8.239 1.354 -9.457 648 HH22 ARG 82 2HH2 ARG 82 -7.489 2.895 -9.739 649 H ARG 83 H ARG 83 -16.394 4.150 -8.953 650 HA ARG 83 HA ARG 83 -15.569 5.168 -11.662 651 HB2 ARG 83 1HB ARG 83 -18.256 5.069 -10.422 652 HB3 ARG 83 2HB ARG 83 -17.841 6.556 -11.282 653 HG2 ARG 83 1HG ARG 83 -17.885 5.555 -13.287 654 HG3 ARG 83 2HG ARG 83 -17.019 4.105 -12.687 655 HD2 ARG 83 1HD ARG 83 -19.293 3.464 -13.493 656 HD3 ARG 83 2HD ARG 83 -19.219 3.235 -11.778 657 HE ARG 83 HE ARG 83 -20.222 5.783 -12.017 658 HH11 ARG 83 1HH1 ARG 83 -21.081 2.877 -13.873 659 HH12 ARG 83 2HH1 ARG 83 -22.832 3.160 -13.679 660 HH21 ARG 83 1HH2 ARG 83 -22.454 6.156 -11.927 661 HH22 ARG 83 2HH2 ARG 83 -23.583 4.960 -12.616 662 H LYS 84 H LYS 84 -16.390 6.229 -8.315 663 HA LYS 84 HA LYS 84 -16.198 8.162 -7.203 664 HB2 LYS 84 1HB LYS 84 -13.553 8.015 -8.493 665 HB3 LYS 84 2HB LYS 84 -14.012 9.346 -7.415 666 HG2 LYS 84 1HG LYS 84 -14.770 7.628 -5.742 667 HG3 LYS 84 2HG LYS 84 -14.055 6.376 -6.811 668 HD2 LYS 84 1HD LYS 84 -12.403 8.656 -5.766 669 HD3 LYS 84 2HD LYS 84 -12.723 7.200 -4.768 670 HE2 LYS 84 1HE LYS 84 -10.787 6.414 -5.746 671 HE3 LYS 84 2HE LYS 84 -11.804 6.064 -7.119 672 HZ1 LYS 84 3HZ LYS 84 -10.267 8.519 -6.706 673 HZ2 LYS 84 1HZ LYS 84 -9.891 7.236 -7.727 674 HZ3 LYS 84 2HZ LYS 84 -11.247 8.183 -8.030 675 H ALA 85 H ALA 85 -18.015 9.102 -8.130 676 HA ALA 85 HA ALA 85 -17.642 11.307 -10.131 677 HB1 ALA 85 3HB ALA 85 -20.110 9.830 -9.225 678 HB2 ALA 85 1HB ALA 85 -20.023 11.125 -10.442 679 HB3 ALA 85 2HB ALA 85 -19.222 9.566 -10.744 680 H ASN 86 H ASN 86 -19.249 10.574 -7.015 681 HA ASN 86 HA ASN 86 -19.790 13.357 -6.342 682 HB2 ASN 86 1HB ASN 86 -20.683 11.021 -5.301 683 HB3 ASN 86 2HB ASN 86 -19.346 11.250 -4.205 684 HD21 ASN 86 1HD2 ASN 86 -21.966 11.166 -3.399 685 HD22 ASN 86 2HD2 ASN 86 -22.444 12.779 -2.805 686 H ARG 87 H ARG 87 -18.716 14.632 -4.712 687 HA ARG 87 HA ARG 87 -16.022 15.096 -5.276 688 HB2 ARG 87 1HB ARG 87 -16.111 16.727 -3.521 689 HB3 ARG 87 2HB ARG 87 -17.592 16.759 -4.531 690 HG2 ARG 87 1HG ARG 87 -18.813 15.545 -2.741 691 HG3 ARG 87 2HG ARG 87 -17.356 15.535 -1.745 692 HD2 ARG 87 1HD ARG 87 -17.403 18.137 -2.132 693 HD3 ARG 87 2HD ARG 87 -19.117 17.842 -2.521 694 HE ARG 87 HE ARG 87 -19.540 17.195 -0.293 695 HH11 ARG 87 1HH1 ARG 87 -16.024 17.735 -0.726 696 HH12 ARG 87 2HH1 ARG 87 -15.730 17.717 1.034 697 HH21 ARG 87 1HH2 ARG 87 -19.073 17.173 1.916 698 HH22 ARG 87 2HH2 ARG 87 -17.396 17.410 2.477 Start of MODEL 10 1 H1 ALA 1 1H ALA 1 5.449 16.946 4.137 2 HA ALA 1 HA ALA 1 5.551 17.128 6.958 3 HB1 ALA 1 3HB ALA 1 3.560 15.080 5.944 4 HB2 ALA 1 1HB ALA 1 4.172 15.188 7.613 5 HB3 ALA 1 2HB ALA 1 3.210 16.520 6.930 6 H VAL 2 H VAL 2 5.610 14.741 4.282 7 HA VAL 2 HA VAL 2 7.844 13.313 5.718 8 HB VAL 2 HB VAL 2 7.317 11.351 4.318 9 HG11 VAL 2 1HG1 VAL 2 5.422 10.731 5.755 10 HG12 VAL 2 2HG1 VAL 2 6.663 11.597 6.692 11 HG13 VAL 2 3HG1 VAL 2 5.177 12.438 6.191 12 HG21 VAL 2 3HG2 VAL 2 6.150 12.318 2.499 13 HG22 VAL 2 1HG2 VAL 2 5.155 11.115 3.353 14 HG23 VAL 2 2HG2 VAL 2 4.843 12.853 3.581 15 H ASN 3 H ASN 3 8.742 15.501 4.663 16 HA ASN 3 HA ASN 3 10.299 14.718 2.191 17 HB2 ASN 3 1HB ASN 3 8.065 16.365 2.070 18 HB3 ASN 3 2HB ASN 3 9.451 17.480 2.092 19 HD21 ASN 3 1HD2 ASN 3 10.855 17.565 0.326 20 HD22 ASN 3 2HD2 ASN 3 10.625 16.584 -1.147 21 H VAL 4 H VAL 4 12.009 16.206 1.736 22 HA VAL 4 HA VAL 4 13.966 17.299 2.195 23 HB VAL 4 HB VAL 4 12.429 18.990 3.069 24 HG11 VAL 4 1HG1 VAL 4 12.897 19.791 5.330 25 HG12 VAL 4 2HG1 VAL 4 12.047 18.228 5.366 26 HG13 VAL 4 3HG1 VAL 4 13.795 18.297 5.687 27 HG21 VAL 4 3HG2 VAL 4 14.537 19.377 2.086 28 HG22 VAL 4 1HG2 VAL 4 14.349 20.397 3.530 29 HG23 VAL 4 2HG2 VAL 4 15.378 18.947 3.594 30 H GLU 5 H GLU 5 12.678 15.636 5.046 31 HA GLU 5 HA GLU 5 15.080 13.886 5.176 32 HB2 GLU 5 1HB GLU 5 14.570 16.009 7.162 33 HB3 GLU 5 2HB GLU 5 14.758 14.408 7.862 34 HG2 GLU 5 1HG GLU 5 16.941 14.132 6.886 35 HG3 GLU 5 2HG GLU 5 16.728 15.518 5.826 36 H LYS 6 H LYS 6 13.537 12.501 4.307 37 HA LYS 6 HA LYS 6 12.281 10.709 6.209 38 HB2 LYS 6 1HB LYS 6 10.546 12.760 5.854 39 HB3 LYS 6 2HB LYS 6 10.042 11.660 4.573 40 HG2 LYS 6 1HG LYS 6 8.842 10.733 6.282 41 HG3 LYS 6 2HG LYS 6 10.357 9.860 6.571 42 HD2 LYS 6 1HD LYS 6 11.015 11.782 8.171 43 HD3 LYS 6 2HD LYS 6 9.375 12.370 8.022 44 HE2 LYS 6 1HE LYS 6 8.584 10.081 8.786 45 HE3 LYS 6 2HE LYS 6 10.278 9.718 9.153 46 HZ1 LYS 6 3HZ LYS 6 8.730 11.991 10.218 47 HZ2 LYS 6 1HZ LYS 6 9.127 10.582 11.048 48 HZ3 LYS 6 2HZ LYS 6 10.338 11.645 10.567 49 H GLN 7 H GLN 7 10.995 11.613 3.033 50 HA GLN 7 HA GLN 7 10.643 9.313 1.712 51 HB2 GLN 7 1HB GLN 7 10.286 11.655 0.820 52 HB3 GLN 7 2HB GLN 7 11.973 11.729 0.391 53 HG2 GLN 7 1HG GLN 7 10.988 9.295 -0.758 54 HG3 GLN 7 2HG GLN 7 9.808 10.526 -1.090 55 HE21 GLN 7 1HE2 GLN 7 10.120 11.908 -2.693 56 HE22 GLN 7 2HE2 GLN 7 11.623 11.953 -3.653 57 H LYS 8 H LYS 8 11.872 7.599 2.220 58 HA LYS 8 HA LYS 8 14.388 7.405 0.589 59 HB2 LYS 8 1HB LYS 8 15.540 6.145 2.249 60 HB3 LYS 8 2HB LYS 8 15.098 7.781 2.841 61 HG2 LYS 8 1HG LYS 8 13.472 6.914 4.312 62 HG3 LYS 8 2HG LYS 8 13.492 5.316 3.528 63 HD2 LYS 8 1HD LYS 8 15.858 4.982 4.297 64 HD3 LYS 8 2HD LYS 8 15.836 6.557 5.073 65 HE2 LYS 8 1HE LYS 8 14.116 5.836 6.631 66 HE3 LYS 8 2HE LYS 8 13.931 4.297 5.782 67 HZ1 LYS 8 3HZ LYS 8 16.377 5.248 7.114 68 HZ2 LYS 8 1HZ LYS 8 15.308 4.088 7.697 69 HZ3 LYS 8 2HZ LYS 8 16.202 3.785 6.306 70 HA PRO 9 HA PRO 9 12.895 3.315 -0.687 71 HB2 PRO 9 1HB PRO 9 15.285 2.143 -1.283 72 HB3 PRO 9 2HB PRO 9 14.479 3.279 -2.366 73 HG2 PRO 9 1HG PRO 9 16.728 3.832 -0.373 74 HG3 PRO 9 2HG PRO 9 16.599 4.369 -2.046 75 HD2 PRO 9 1HD PRO 9 15.806 6.034 0.057 76 HD3 PRO 9 2HD PRO 9 14.827 6.005 -1.489 77 H ALA 10 H ALA 10 12.018 2.610 1.130 78 HA ALA 10 HA ALA 10 13.503 1.479 3.410 79 HB1 ALA 10 3HB ALA 10 10.631 1.237 2.512 80 HB2 ALA 10 1HB ALA 10 11.288 0.748 4.092 81 HB3 ALA 10 2HB ALA 10 11.303 2.463 3.615 82 H VAL 11 H VAL 11 14.937 0.425 1.832 83 HA VAL 11 HA VAL 11 15.825 -1.331 0.646 84 HB VAL 11 HB VAL 11 15.757 -3.522 1.640 85 HG11 VAL 11 1HG1 VAL 11 16.965 -2.749 3.632 86 HG12 VAL 11 2HG1 VAL 11 17.395 -1.762 2.216 87 HG13 VAL 11 3HG1 VAL 11 16.271 -1.122 3.439 88 HG21 VAL 11 3HG2 VAL 11 13.600 -3.714 2.526 89 HG22 VAL 11 1HG2 VAL 11 14.850 -3.895 3.781 90 HG23 VAL 11 2HG2 VAL 11 13.912 -2.386 3.670 91 H SER 12 H SER 12 15.036 -3.948 0.164 92 HA SER 12 HA SER 12 12.817 -3.673 -1.830 93 HB2 SER 12 1HB SER 12 14.918 -4.779 -2.560 94 HB3 SER 12 2HB SER 12 14.721 -5.997 -1.295 95 HG SER 12 HG SER 12 12.611 -5.479 -3.212 96 H VAL 13 H VAL 13 11.185 -5.159 -1.926 97 HA VAL 13 HA VAL 13 9.492 -5.507 0.219 98 HB VAL 13 HB VAL 13 8.905 -5.660 -2.204 99 HG11 VAL 13 1HG1 VAL 13 8.997 -7.746 -3.344 100 HG12 VAL 13 2HG1 VAL 13 10.647 -7.199 -2.964 101 HG13 VAL 13 3HG1 VAL 13 9.895 -8.494 -2.002 102 HG21 VAL 13 3HG2 VAL 13 7.316 -6.064 -0.535 103 HG22 VAL 13 1HG2 VAL 13 7.112 -7.124 -1.950 104 HG23 VAL 13 2HG2 VAL 13 7.808 -7.772 -0.446 105 H ARG 14 H ARG 14 12.075 -7.735 -0.656 106 HA ARG 14 HA ARG 14 11.729 -10.059 0.710 107 HB2 ARG 14 1HB ARG 14 14.084 -8.264 0.258 108 HB3 ARG 14 2HB ARG 14 14.302 -9.394 1.560 109 HG2 ARG 14 1HG ARG 14 13.139 -10.767 -0.717 110 HG3 ARG 14 2HG ARG 14 14.586 -9.883 -1.181 111 HD2 ARG 14 1HD ARG 14 15.368 -12.019 -0.447 112 HD3 ARG 14 2HD ARG 14 15.716 -10.957 0.904 113 HE ARG 14 HE ARG 14 13.114 -12.068 1.266 114 HH11 ARG 14 1HH1 ARG 14 16.549 -12.652 1.943 115 HH12 ARG 14 2HH1 ARG 14 16.208 -14.171 2.814 116 HH21 ARG 14 1HH2 ARG 14 12.740 -13.900 2.499 117 HH22 ARG 14 2HH2 ARG 14 14.111 -14.853 3.126 118 H LYS 15 H LYS 15 12.502 -6.982 2.371 119 HA LYS 15 HA LYS 15 11.498 -8.204 4.994 120 HB2 LYS 15 1HB LYS 15 13.981 -8.183 4.905 121 HB3 LYS 15 2HB LYS 15 13.915 -6.449 4.869 122 HG2 LYS 15 1HG LYS 15 13.439 -6.326 7.091 123 HG3 LYS 15 2HG LYS 15 12.234 -7.576 7.026 124 HD2 LYS 15 1HD LYS 15 15.162 -8.301 6.855 125 HD3 LYS 15 2HD LYS 15 14.372 -7.998 8.392 126 HE2 LYS 15 1HE LYS 15 12.693 -9.767 7.875 127 HE3 LYS 15 2HE LYS 15 13.502 -10.077 6.342 128 HZ1 LYS 15 3HZ LYS 15 14.713 -10.322 9.009 129 HZ2 LYS 15 1HZ LYS 15 14.191 -11.581 8.023 130 HZ3 LYS 15 2HZ LYS 15 15.486 -10.619 7.546 131 H SER 16 H SER 16 9.943 -6.717 3.021 132 HA SER 16 HA SER 16 9.251 -4.117 4.257 133 HB2 SER 16 1HB SER 16 7.609 -5.944 2.541 134 HB3 SER 16 2HB SER 16 7.148 -4.323 3.090 135 HG SER 16 HG SER 16 9.196 -3.538 2.095 136 H VAL 17 H VAL 17 8.335 -7.448 4.827 137 HA VAL 17 HA VAL 17 6.458 -6.988 7.020 138 HB VAL 17 HB VAL 17 8.016 -9.363 5.988 139 HG11 VAL 17 1HG1 VAL 17 6.684 -10.828 7.436 140 HG12 VAL 17 2HG1 VAL 17 7.726 -9.752 8.397 141 HG13 VAL 17 3HG1 VAL 17 5.987 -9.406 8.249 142 HG21 VAL 17 3HG2 VAL 17 6.123 -8.585 4.619 143 HG22 VAL 17 1HG2 VAL 17 5.750 -10.156 5.368 144 HG23 VAL 17 2HG2 VAL 17 5.051 -8.662 6.037 145 H GLN 18 H GLN 18 6.952 -6.181 8.888 146 HA GLN 18 HA GLN 18 9.475 -7.099 10.288 147 HB2 GLN 18 1HB GLN 18 8.149 -4.396 10.598 148 HB3 GLN 18 2HB GLN 18 9.686 -4.960 11.331 149 HG2 GLN 18 1HG GLN 18 10.782 -4.935 9.155 150 HG3 GLN 18 2HG GLN 18 9.262 -4.580 8.334 151 HE21 GLN 18 1HE2 GLN 18 11.944 -3.345 10.118 152 HE22 GLN 18 2HE2 GLN 18 11.467 -1.626 10.105 153 H ASP 19 H ASP 19 8.968 -6.244 12.834 154 HA ASP 19 HA ASP 19 6.936 -8.114 13.891 155 HB2 ASP 19 1HB ASP 19 8.590 -6.012 15.299 156 HB3 ASP 19 2HB ASP 19 7.557 -7.168 16.076 157 H ASP 20 H ASP 20 5.053 -7.511 12.772 158 HA ASP 20 HA ASP 20 3.011 -6.486 12.507 159 HB2 ASP 20 1HB ASP 20 3.372 -5.926 15.414 160 HB3 ASP 20 2HB ASP 20 1.920 -5.501 14.536 161 H HIS 21 H HIS 21 5.323 -4.980 11.691 162 HA HIS 21 HA HIS 21 3.925 -2.393 11.193 163 HB2 HIS 21 1HB HIS 21 5.900 -1.055 11.551 164 HB3 HIS 21 2HB HIS 21 5.118 -1.721 13.030 165 HD2 HIS 21 HD2 HIS 21 8.438 -1.396 11.345 166 HE1 HIS 21 HE1 HIS 21 9.083 -3.706 14.813 167 HE2 HIS 21 HE2 HIS 21 10.221 -2.349 12.940 168 H ILE 22 H ILE 22 3.941 -1.986 9.187 169 HA ILE 22 HA ILE 22 5.798 -3.424 7.318 170 HB ILE 22 HB ILE 22 3.477 -3.946 7.057 171 HG12 ILE 22 1HG1 ILE 22 4.928 -4.274 5.315 172 HG13 ILE 22 2HG1 ILE 22 3.247 -3.874 4.801 173 HG21 ILE 22 1HG2 ILE 22 1.865 -2.375 6.083 174 HG22 ILE 22 2HG2 ILE 22 2.357 -1.859 7.714 175 HG23 ILE 22 3HG2 ILE 22 3.027 -1.042 6.282 176 HD11 ILE 22 3HD1 ILE 22 5.663 -2.064 4.587 177 HD12 ILE 22 1HD1 ILE 22 4.900 -2.972 3.260 178 HD13 ILE 22 2HD1 ILE 22 4.004 -1.670 4.079 179 H VAL 23 H VAL 23 7.356 -2.360 6.460 180 HA VAL 23 HA VAL 23 7.925 0.488 7.014 181 HB VAL 23 HB VAL 23 9.459 -1.421 7.099 182 HG11 VAL 23 1HG1 VAL 23 10.754 -1.932 5.086 183 HG12 VAL 23 2HG1 VAL 23 9.074 -2.496 4.929 184 HG13 VAL 23 3HG1 VAL 23 9.595 -1.013 4.094 185 HG21 VAL 23 3HG2 VAL 23 10.088 0.745 7.527 186 HG22 VAL 23 1HG2 VAL 23 11.322 -0.056 6.526 187 HG23 VAL 23 2HG2 VAL 23 10.211 1.124 5.793 188 H CYS 24 H CYS 24 7.598 2.227 5.981 189 HA CYS 24 HA CYS 24 5.883 2.186 3.626 190 HB2 CYS 24 1HB CYS 24 5.588 3.823 5.453 191 HB3 CYS 24 2HB CYS 24 7.126 4.578 4.994 192 H LEU 25 H LEU 25 6.899 1.510 1.794 193 HA LEU 25 HA LEU 25 9.535 2.339 0.892 194 HB2 LEU 25 1HB LEU 25 7.140 1.255 -0.482 195 HB3 LEU 25 2HB LEU 25 8.541 1.907 -1.406 196 HG LEU 25 HG LEU 25 8.622 -0.566 -1.205 197 HD11 LEU 25 1HD1 LEU 25 10.893 -0.757 -0.349 198 HD12 LEU 25 2HD1 LEU 25 10.730 0.706 -1.350 199 HD13 LEU 25 3HD1 LEU 25 10.760 0.841 0.425 200 HD21 LEU 25 3HD2 LEU 25 7.380 -0.940 0.748 201 HD22 LEU 25 1HD2 LEU 25 8.985 -1.707 0.822 202 HD23 LEU 25 2HD2 LEU 25 8.666 -0.218 1.744 203 H GLU 26 H GLU 26 10.212 3.904 -0.368 204 HA GLU 26 HA GLU 26 10.523 6.202 -0.956 205 HB2 GLU 26 1HB GLU 26 8.555 5.447 -2.515 206 HB3 GLU 26 2HB GLU 26 7.657 6.601 -1.530 207 HG2 GLU 26 1HG GLU 26 9.795 8.111 -1.920 208 HG3 GLU 26 2HG GLU 26 9.989 7.041 -3.345 209 H CYS 27 H CYS 27 9.381 5.386 1.928 210 HA CYS 27 HA CYS 27 9.141 8.284 2.633 211 HB2 CYS 27 1HB CYS 27 6.882 6.903 2.595 212 HB3 CYS 27 2HB CYS 27 7.447 6.410 4.203 213 H GLY 28 H GLY 28 9.326 4.918 4.034 214 HA2 GLY 28 1HA GLY 28 11.519 4.233 5.171 215 HA3 GLY 28 2HA GLY 28 11.658 5.836 5.804 216 H GLY 29 H GLY 29 9.335 6.473 6.901 217 HA2 GLY 29 1HA GLY 29 9.212 5.155 9.445 218 HA3 GLY 29 2HA GLY 29 7.890 6.065 8.769 219 H SER 30 H SER 30 7.836 3.747 10.456 220 HA SER 30 HA SER 30 6.497 1.732 8.591 221 HB2 SER 30 1HB SER 30 8.748 1.045 9.516 222 HB3 SER 30 2HB SER 30 7.964 1.003 11.109 223 HG SER 30 HG SER 30 6.242 -0.257 9.533 224 H PHE 31 H PHE 31 4.788 0.573 9.364 225 HA PHE 31 HA PHE 31 3.330 1.367 11.777 226 HB2 PHE 31 1HB PHE 31 1.389 2.331 10.423 227 HB3 PHE 31 2HB PHE 31 2.818 3.371 10.740 228 HD1 PHE 31 HD1 PHE 31 2.568 0.780 7.988 229 HD2 PHE 31 HD2 PHE 31 2.518 4.925 9.095 230 HE1 PHE 31 HE1 PHE 31 3.401 1.388 5.736 231 HE2 PHE 31 HE2 PHE 31 3.291 5.536 6.827 232 HZ PHE 31 HZ PHE 31 3.690 3.773 5.140 233 H LYS 32 H LYS 32 1.105 0.582 11.891 234 HA LYS 32 HA LYS 32 0.790 -2.116 10.902 235 HB2 LYS 32 1HB LYS 32 -0.712 -0.290 12.620 236 HB3 LYS 32 2HB LYS 32 -1.620 -1.610 11.838 237 HG2 LYS 32 1HG LYS 32 -0.560 -3.215 13.037 238 HG3 LYS 32 2HG LYS 32 1.031 -2.406 12.870 239 HD2 LYS 32 1HD LYS 32 -1.050 -1.402 14.851 240 HD3 LYS 32 2HD LYS 32 0.069 -2.677 15.277 241 HE2 LYS 32 1HE LYS 32 1.974 -1.141 14.654 242 HE3 LYS 32 2HE LYS 32 0.789 0.143 14.406 243 HZ1 LYS 32 3HZ LYS 32 1.199 -1.365 16.899 244 HZ2 LYS 32 1HZ LYS 32 1.714 0.204 16.580 245 HZ3 LYS 32 2HZ LYS 32 0.070 -0.141 16.663 246 H SER 33 H SER 33 -0.463 0.961 9.581 247 HA SER 33 HA SER 33 -1.486 -0.643 7.184 248 HB2 SER 33 1HB SER 33 -3.426 0.731 6.964 249 HB3 SER 33 2HB SER 33 -3.464 -0.184 8.461 250 HG SER 33 HG SER 33 -2.343 2.457 8.490 251 H LEU 34 H LEU 34 -0.297 -0.225 5.574 252 HA LEU 34 HA LEU 34 0.783 2.497 4.999 253 HB2 LEU 34 1HB LEU 34 2.063 0.629 4.529 254 HB3 LEU 34 2HB LEU 34 0.798 0.034 3.380 255 HG LEU 34 HG LEU 34 3.023 1.150 2.513 256 HD11 LEU 34 1HD1 LEU 34 1.818 1.893 0.531 257 HD12 LEU 34 2HD1 LEU 34 1.162 0.345 1.117 258 HD13 LEU 34 3HD1 LEU 34 0.282 1.860 1.429 259 HD21 LEU 34 3HD2 LEU 34 2.953 3.197 3.730 260 HD22 LEU 34 1HD2 LEU 34 2.856 3.452 1.971 261 HD23 LEU 34 2HD2 LEU 34 1.395 3.611 2.976 262 H LYS 35 H LYS 35 -2.024 0.547 3.957 263 HA LYS 35 HA LYS 35 -2.968 1.748 1.693 264 HB2 LYS 35 1HB LYS 35 -3.975 -0.093 2.915 265 HB3 LYS 35 2HB LYS 35 -4.716 1.098 4.035 266 HG2 LYS 35 1HG LYS 35 -5.199 1.298 1.082 267 HG3 LYS 35 2HG LYS 35 -6.099 0.102 2.070 268 HD2 LYS 35 1HD LYS 35 -6.112 3.079 2.775 269 HD3 LYS 35 2HD LYS 35 -7.265 2.411 1.669 270 HE2 LYS 35 1HE LYS 35 -6.915 1.214 4.419 271 HE3 LYS 35 2HE LYS 35 -7.934 2.615 4.117 272 HZ1 LYS 35 3HZ LYS 35 -8.172 -0.001 2.801 273 HZ2 LYS 35 1HZ LYS 35 -9.153 0.605 4.026 274 HZ3 LYS 35 2HZ LYS 35 -9.147 1.339 2.513 275 H ARG 36 H ARG 36 -4.119 3.033 4.867 276 HA ARG 36 HA ARG 36 -5.291 5.496 3.938 277 HB2 ARG 36 1HB ARG 36 -4.350 4.517 6.562 278 HB3 ARG 36 2HB ARG 36 -4.606 6.241 6.348 279 HG2 ARG 36 1HG ARG 36 -6.888 5.719 5.413 280 HG3 ARG 36 2HG ARG 36 -6.611 4.022 5.859 281 HD2 ARG 36 1HD ARG 36 -6.499 4.531 8.173 282 HD3 ARG 36 2HD ARG 36 -6.270 6.269 7.866 283 HE ARG 36 HE ARG 36 -8.757 5.360 6.714 284 HH11 ARG 36 1HH1 ARG 36 -7.364 6.257 9.898 285 HH12 ARG 36 2HH1 ARG 36 -8.974 6.639 10.565 286 HH21 ARG 36 1HH2 ARG 36 -10.716 5.950 7.607 287 HH22 ARG 36 2HH2 ARG 36 -10.807 6.474 9.310 288 H HIS 37 H HIS 37 -2.194 5.363 5.640 289 HA HIS 37 HA HIS 37 -1.044 7.774 5.193 290 HB2 HIS 37 1HB HIS 37 0.012 6.145 6.498 291 HB3 HIS 37 2HB HIS 37 0.275 5.089 5.076 292 HD1 HIS 37 HD1 HIS 37 1.505 8.289 6.719 293 HD2 HIS 37 HD2 HIS 37 2.494 5.703 3.529 294 HE1 HIS 37 HE1 HIS 37 3.833 8.985 5.884 295 H LEU 38 H LEU 38 -0.859 5.013 2.961 296 HA LEU 38 HA LEU 38 0.581 6.087 0.803 297 HB2 LEU 38 1HB LEU 38 -0.228 3.748 1.317 298 HB3 LEU 38 2HB LEU 38 -1.726 4.233 0.441 299 HG LEU 38 HG LEU 38 0.192 2.905 -0.811 300 HD11 LEU 38 1HD1 LEU 38 -0.417 3.978 -2.890 301 HD12 LEU 38 2HD1 LEU 38 -1.855 3.761 -1.865 302 HD13 LEU 38 3HD1 LEU 38 -1.098 5.365 -2.009 303 HD21 LEU 38 3HD2 LEU 38 2.030 4.232 -0.139 304 HD22 LEU 38 1HD2 LEU 38 1.805 4.249 -1.904 305 HD23 LEU 38 2HD2 LEU 38 1.324 5.660 -0.933 306 H THR 39 H THR 39 -2.987 5.723 0.777 307 HA THR 39 HA THR 39 -3.495 7.468 -1.405 308 HB THR 39 HB THR 39 -5.457 6.727 0.792 309 HG1 THR 39 HG1 THR 39 -5.813 5.076 -1.103 310 HG21 THR 39 3HG2 THR 39 -5.854 7.398 -2.123 311 HG22 THR 39 1HG2 THR 39 -7.092 6.879 -0.955 312 HG23 THR 39 2HG2 THR 39 -6.278 8.448 -0.751 313 H THR 40 H THR 40 -3.219 8.281 2.047 314 HA THR 40 HA THR 40 -4.071 11.043 1.871 315 HB THR 40 HB THR 40 -2.212 9.766 3.951 316 HG1 THR 40 HG1 THR 40 -5.002 10.200 4.297 317 HG21 THR 40 3HG2 THR 40 -3.985 12.197 4.128 318 HG22 THR 40 1HG2 THR 40 -3.018 11.461 5.428 319 HG23 THR 40 2HG2 THR 40 -2.208 12.215 4.034 320 H HIS 41 H HIS 41 -0.764 9.623 1.918 321 HA HIS 41 HA HIS 41 0.495 12.357 1.481 322 HB2 HIS 41 1HB HIS 41 1.536 9.812 2.649 323 HB3 HIS 41 2HB HIS 41 2.584 11.080 2.096 324 HD2 HIS 41 HD2 HIS 41 3.199 11.062 4.753 325 HE1 HIS 41 HE1 HIS 41 0.068 13.682 5.810 326 HE2 HIS 41 HE2 HIS 41 2.360 12.733 6.519 327 H HIS 42 H HIS 42 1.852 9.293 0.457 328 HA HIS 42 HA HIS 42 2.663 10.040 -2.138 329 HB2 HIS 42 1HB HIS 42 1.817 7.259 -1.539 330 HB3 HIS 42 2HB HIS 42 3.198 7.886 -2.494 331 HD1 HIS 42 HD1 HIS 42 5.376 8.463 -1.263 332 HD2 HIS 42 HD2 HIS 42 2.252 7.136 1.248 333 HE1 HIS 42 HE1 HIS 42 6.413 7.996 1.041 334 H SER 43 H SER 43 -0.616 9.423 -0.955 335 HA SER 43 HA SER 43 -2.697 9.359 -2.050 336 HB2 SER 43 1HB SER 43 -1.340 10.455 -4.504 337 HB3 SER 43 2HB SER 43 -3.059 10.417 -4.153 338 HG SER 43 HG SER 43 -1.069 12.159 -3.274 339 H MET 44 H MET 44 -3.655 8.546 -4.380 340 HA MET 44 HA MET 44 -4.079 6.804 -5.824 341 HB2 MET 44 1HB MET 44 -1.280 5.818 -5.444 342 HB3 MET 44 2HB MET 44 -2.459 5.366 -6.723 343 HG2 MET 44 1HG MET 44 -1.272 6.904 -7.967 344 HG3 MET 44 2HG MET 44 -2.249 8.079 -7.138 345 HE1 MET 44 3HE MET 44 1.236 6.350 -7.386 346 HE2 MET 44 1HE MET 44 2.090 7.018 -5.974 347 HE3 MET 44 2HE MET 44 0.751 5.868 -5.742 348 H THR 45 H THR 45 -4.084 4.397 -6.114 349 HA THR 45 HA THR 45 -5.008 3.017 -3.644 350 HB THR 45 HB THR 45 -5.588 1.155 -5.126 351 HG1 THR 45 HG1 THR 45 -4.760 2.519 -7.432 352 HG21 THR 45 3HG2 THR 45 -6.417 3.818 -6.297 353 HG22 THR 45 1HG2 THR 45 -7.226 2.250 -6.520 354 HG23 THR 45 2HG2 THR 45 -7.187 3.010 -4.912 355 HA PRO 46 HA PRO 46 -1.302 0.876 -2.538 356 HB2 PRO 46 1HB PRO 46 -2.266 -1.545 -1.863 357 HB3 PRO 46 2HB PRO 46 -2.273 -0.043 -0.820 358 HG2 PRO 46 1HG PRO 46 -4.568 -1.222 -2.518 359 HG3 PRO 46 2HG PRO 46 -4.676 -0.621 -0.865 360 HD2 PRO 46 1HD PRO 46 -5.348 1.025 -2.921 361 HD3 PRO 46 2HD PRO 46 -4.452 1.680 -1.551 362 H GLU 47 H GLU 47 -3.575 -1.061 -4.567 363 HA GLU 47 HA GLU 47 -1.605 -2.702 -5.833 364 HB2 GLU 47 1HB GLU 47 -4.405 -2.097 -6.358 365 HB3 GLU 47 2HB GLU 47 -3.482 -2.387 -7.816 366 HG2 GLU 47 1HG GLU 47 -4.109 -4.487 -7.260 367 HG3 GLU 47 2HG GLU 47 -2.499 -4.402 -6.467 368 H GLU 48 H GLU 48 -2.800 0.553 -6.927 369 HA GLU 48 HA GLU 48 -1.126 0.661 -9.314 370 HB2 GLU 48 1HB GLU 48 -3.063 2.320 -8.196 371 HB3 GLU 48 2HB GLU 48 -1.600 3.271 -8.131 372 HG2 GLU 48 1HG GLU 48 -2.367 1.762 -10.607 373 HG3 GLU 48 2HG GLU 48 -3.025 3.387 -10.209 374 H TYR 49 H TYR 49 -0.610 1.857 -5.990 375 HA TYR 49 HA TYR 49 2.086 2.834 -6.117 376 HB2 TYR 49 1HB TYR 49 0.930 3.228 -4.200 377 HB3 TYR 49 2HB TYR 49 0.389 1.526 -4.046 378 HD1 TYR 49 HD1 TYR 49 1.794 -0.154 -3.127 379 HD2 TYR 49 HD2 TYR 49 3.199 3.887 -3.427 380 HE1 TYR 49 HE1 TYR 49 3.629 -0.679 -1.550 381 HE2 TYR 49 HE2 TYR 49 4.953 3.400 -1.740 382 HH TYR 49 HH TYR 49 5.093 1.946 0.202 383 H ARG 50 H ARG 50 1.018 -0.586 -5.752 384 HA ARG 50 HA ARG 50 3.656 -1.742 -5.365 385 HB2 ARG 50 1HB ARG 50 2.851 -3.637 -5.344 386 HB3 ARG 50 2HB ARG 50 1.328 -2.693 -5.085 387 HG2 ARG 50 1HG ARG 50 0.665 -4.441 -6.475 388 HG3 ARG 50 2HG ARG 50 0.932 -3.138 -7.614 389 HD2 ARG 50 1HD ARG 50 3.119 -4.049 -8.229 390 HD3 ARG 50 2HD ARG 50 3.001 -5.281 -6.979 391 HE ARG 50 HE ARG 50 1.722 -6.549 -8.363 392 HH11 ARG 50 1HH1 ARG 50 1.778 -3.285 -9.817 393 HH12 ARG 50 2HH1 ARG 50 0.680 -3.780 -11.133 394 HH21 ARG 50 1HH2 ARG 50 0.458 -7.117 -10.093 395 HH22 ARG 50 2HH2 ARG 50 -0.040 -5.890 -11.288 396 H GLU 51 H GLU 51 1.994 -0.778 -8.366 397 HA GLU 51 HA GLU 51 3.883 -1.992 -10.234 398 HB2 GLU 51 1HB GLU 51 1.542 -1.021 -10.699 399 HB3 GLU 51 2HB GLU 51 2.380 0.533 -10.816 400 HG2 GLU 51 1HG GLU 51 4.030 -0.756 -12.437 401 HG3 GLU 51 2HG GLU 51 2.740 -1.935 -12.556 402 H LYS 52 H LYS 52 3.776 1.246 -8.700 403 HA LYS 52 HA LYS 52 5.995 2.535 -9.942 404 HB2 LYS 52 1HB LYS 52 4.689 3.835 -8.670 405 HB3 LYS 52 2HB LYS 52 4.686 2.682 -7.286 406 HG2 LYS 52 1HG LYS 52 5.834 4.747 -6.753 407 HG3 LYS 52 2HG LYS 52 6.947 3.341 -6.730 408 HD2 LYS 52 1HD LYS 52 7.692 4.059 -9.047 409 HD3 LYS 52 2HD LYS 52 6.779 5.560 -8.789 410 HE2 LYS 52 1HE LYS 52 8.133 6.082 -6.794 411 HE3 LYS 52 2HE LYS 52 8.974 4.539 -6.916 412 HZ1 LYS 52 3HZ LYS 52 9.032 6.694 -8.915 413 HZ2 LYS 52 1HZ LYS 52 10.246 6.310 -7.817 414 HZ3 LYS 52 2HZ LYS 52 9.834 5.221 -9.031 415 H TRP 53 H TRP 53 6.115 0.702 -6.873 416 HA TRP 53 HA TRP 53 9.032 0.437 -6.980 417 HB2 TRP 53 1HB TRP 53 6.868 -0.572 -5.098 418 HB3 TRP 53 2HB TRP 53 8.540 -1.045 -4.902 419 HD1 TRP 53 HD1 TRP 53 6.264 2.015 -4.606 420 HE1 TRP 53 HE1 TRP 53 7.584 3.956 -3.587 421 HE3 TRP 53 HE3 TRP 53 10.741 -0.275 -4.430 422 HZ2 TRP 53 HZ2 TRP 53 10.293 4.407 -2.861 423 HZ3 TRP 53 HZ3 TRP 53 12.709 0.910 -3.501 424 HH2 TRP 53 HH2 TRP 53 12.490 3.260 -2.740 425 H ASP 54 H ASP 54 6.771 -1.142 -8.713 426 HA ASP 54 HA ASP 54 6.533 -3.142 -9.805 427 HB2 ASP 54 1HB ASP 54 9.493 -3.525 -9.489 428 HB3 ASP 54 2HB ASP 54 8.408 -4.117 -10.787 429 H LEU 55 H LEU 55 6.067 -3.319 -6.960 430 HA LEU 55 HA LEU 55 7.505 -5.360 -5.605 431 HB2 LEU 55 1HB LEU 55 4.812 -4.274 -5.125 432 HB3 LEU 55 2HB LEU 55 5.464 -5.690 -4.210 433 HG LEU 55 HG LEU 55 6.065 -4.173 -2.740 434 HD11 LEU 55 1HD1 LEU 55 8.208 -3.025 -3.010 435 HD12 LEU 55 2HD1 LEU 55 8.305 -4.706 -3.585 436 HD13 LEU 55 3HD1 LEU 55 8.187 -3.370 -4.755 437 HD21 LEU 55 3HD2 LEU 55 4.588 -2.592 -3.538 438 HD22 LEU 55 1HD2 LEU 55 6.104 -1.802 -3.042 439 HD23 LEU 55 2HD2 LEU 55 5.745 -2.033 -4.769 440 HA PRO 56 HA PRO 56 6.114 -9.085 -7.803 441 HB2 PRO 56 1HB PRO 56 7.600 -10.815 -6.323 442 HB3 PRO 56 2HB PRO 56 8.250 -9.907 -7.687 443 HG2 PRO 56 1HG PRO 56 8.452 -9.263 -4.712 444 HG3 PRO 56 2HG PRO 56 9.721 -9.194 -5.934 445 HD2 PRO 56 1HD PRO 56 8.299 -6.896 -5.184 446 HD3 PRO 56 2HD PRO 56 8.790 -7.138 -6.931 447 H VAL 57 H VAL 57 4.867 -10.729 -7.396 448 HA VAL 57 HA VAL 57 2.894 -11.630 -6.659 449 HB VAL 57 HB VAL 57 4.583 -12.723 -5.306 450 HG11 VAL 57 1HG1 VAL 57 4.411 -12.571 -2.869 451 HG12 VAL 57 2HG1 VAL 57 5.050 -11.061 -3.563 452 HG13 VAL 57 3HG1 VAL 57 3.357 -11.145 -3.020 453 HG21 VAL 57 3HG2 VAL 57 2.521 -13.681 -5.807 454 HG22 VAL 57 1HG2 VAL 57 2.949 -14.016 -4.113 455 HG23 VAL 57 2HG2 VAL 57 1.719 -12.788 -4.494 456 H ASP 58 H ASP 58 3.102 -8.604 -6.587 457 HA ASP 58 HA ASP 58 1.955 -6.730 -5.867 458 HB2 ASP 58 1HB ASP 58 -0.398 -6.797 -5.876 459 HB3 ASP 58 2HB ASP 58 0.366 -7.645 -7.262 460 H TYR 59 H TYR 59 3.317 -8.027 -3.794 461 HA TYR 59 HA TYR 59 2.592 -8.712 -1.395 462 HB2 TYR 59 1HB TYR 59 4.875 -7.951 -1.913 463 HB3 TYR 59 2HB TYR 59 4.377 -6.301 -2.052 464 HD1 TYR 59 HD1 TYR 59 5.017 -9.060 0.290 465 HD2 TYR 59 HD2 TYR 59 4.036 -4.906 -0.181 466 HE1 TYR 59 HE1 TYR 59 5.415 -8.689 2.709 467 HE2 TYR 59 HE2 TYR 59 4.415 -4.538 2.240 468 HH TYR 59 HH TYR 59 5.382 -5.389 4.091 469 HA PRO 60 HA PRO 60 -0.692 -6.288 0.283 470 HB2 PRO 60 1HB PRO 60 -0.620 -7.083 2.913 471 HB3 PRO 60 2HB PRO 60 -1.277 -8.083 1.619 472 HG2 PRO 60 1HG PRO 60 1.527 -8.166 2.838 473 HG3 PRO 60 2HG PRO 60 0.447 -9.517 2.504 474 HD2 PRO 60 1HD PRO 60 2.443 -8.772 0.677 475 HD3 PRO 60 2HD PRO 60 0.812 -9.335 0.064 476 H MET 61 H MET 61 -0.881 -4.311 0.720 477 HA MET 61 HA MET 61 1.297 -2.742 1.958 478 HB2 MET 61 1HB MET 61 -1.267 -2.017 0.509 479 HB3 MET 61 2HB MET 61 -0.331 -0.807 1.342 480 HG2 MET 61 1HG MET 61 0.471 -0.690 -0.769 481 HG3 MET 61 2HG MET 61 1.675 -1.764 0.019 482 HE1 MET 61 3HE MET 61 2.737 -3.161 -1.537 483 HE2 MET 61 1HE MET 61 2.080 -3.590 -3.134 484 HE3 MET 61 2HE MET 61 2.236 -1.880 -2.668 485 H VAL 62 H VAL 62 -0.036 -4.547 3.752 486 HA VAL 62 HA VAL 62 -0.998 -2.592 5.800 487 HB VAL 62 HB VAL 62 -2.476 -5.195 5.695 488 HG11 VAL 62 1HG1 VAL 62 -4.215 -3.748 6.728 489 HG12 VAL 62 2HG1 VAL 62 -2.678 -3.636 7.617 490 HG13 VAL 62 3HG1 VAL 62 -3.162 -2.331 6.509 491 HG21 VAL 62 3HG2 VAL 62 -2.835 -4.489 3.432 492 HG22 VAL 62 1HG2 VAL 62 -4.306 -4.315 4.418 493 HG23 VAL 62 2HG2 VAL 62 -3.346 -2.879 3.994 494 H ALA 63 H ALA 63 -0.914 -3.639 8.012 495 HA ALA 63 HA ALA 63 1.459 -4.788 8.908 496 HB1 ALA 63 3HB ALA 63 -1.326 -5.450 9.896 497 HB2 ALA 63 1HB ALA 63 0.198 -5.645 10.795 498 HB3 ALA 63 2HB ALA 63 -0.370 -4.018 10.348 499 HA PRO 64 HA PRO 64 2.341 -8.528 7.050 500 HB2 PRO 64 1HB PRO 64 3.389 -9.976 9.076 501 HB3 PRO 64 2HB PRO 64 4.236 -8.696 8.081 502 HG2 PRO 64 1HG PRO 64 2.943 -8.421 10.873 503 HG3 PRO 64 2HG PRO 64 4.512 -7.801 10.371 504 HD2 PRO 64 1HD PRO 64 2.385 -6.133 10.308 505 HD3 PRO 64 2HD PRO 64 3.530 -6.090 8.969 506 H ALA 65 H ALA 65 0.573 -8.923 10.124 507 HA ALA 65 HA ALA 65 -0.983 -11.107 8.749 508 HB1 ALA 65 3HB ALA 65 -0.040 -11.112 11.614 509 HB2 ALA 65 1HB ALA 65 -1.158 -12.291 10.888 510 HB3 ALA 65 2HB ALA 65 0.514 -12.162 10.289 511 H TYR 66 H TYR 66 -1.777 -8.431 8.619 512 HA TYR 66 HA TYR 66 -3.646 -7.550 10.710 513 HB2 TYR 66 1HB TYR 66 -2.633 -6.083 8.923 514 HB3 TYR 66 2HB TYR 66 -3.736 -6.801 7.785 515 HD1 TYR 66 HD1 TYR 66 -3.820 -5.306 11.224 516 HD2 TYR 66 HD2 TYR 66 -5.730 -5.732 7.403 517 HE1 TYR 66 HE1 TYR 66 -5.451 -3.551 11.846 518 HE2 TYR 66 HE2 TYR 66 -7.349 -3.957 8.014 519 HH TYR 66 HH TYR 66 -6.740 -1.718 10.266 520 H ALA 67 H ALA 67 -4.189 -9.279 7.700 521 HA ALA 67 HA ALA 67 -6.345 -10.925 8.576 522 HB1 ALA 67 3HB ALA 67 -7.190 -8.525 6.872 523 HB2 ALA 67 1HB ALA 67 -8.213 -9.929 7.257 524 HB3 ALA 67 2HB ALA 67 -7.691 -8.826 8.552 525 H GLU 68 H GLU 68 -6.969 -12.345 6.875 526 HA GLU 68 HA GLU 68 -6.746 -13.571 4.884 527 HB2 GLU 68 1HB GLU 68 -7.382 -11.078 4.042 528 HB3 GLU 68 2HB GLU 68 -5.841 -11.230 3.260 529 HG2 GLU 68 1HG GLU 68 -7.341 -12.053 1.694 530 HG3 GLU 68 2HG GLU 68 -6.717 -13.531 2.405 531 H ALA 69 H ALA 69 -4.766 -13.015 2.747 532 HA ALA 69 HA ALA 69 -2.629 -13.548 2.111 533 HB1 ALA 69 3HB ALA 69 -1.894 -12.109 4.637 534 HB2 ALA 69 1HB ALA 69 -0.779 -12.538 3.319 535 HB3 ALA 69 2HB ALA 69 -2.132 -11.423 3.013 536 H ARG 70 H ARG 70 -4.036 -15.602 3.535 537 HA ARG 70 HA ARG 70 -1.723 -17.257 4.544 538 HB2 ARG 70 1HB ARG 70 -3.652 -16.159 6.207 539 HB3 ARG 70 2HB ARG 70 -4.352 -17.737 5.843 540 HG2 ARG 70 1HG ARG 70 -1.422 -17.636 6.626 541 HG3 ARG 70 2HG ARG 70 -2.617 -17.467 7.873 542 HD2 ARG 70 1HD ARG 70 -3.481 -19.637 7.518 543 HD3 ARG 70 2HD ARG 70 -2.754 -19.776 5.926 544 HE ARG 70 HE ARG 70 -0.937 -20.656 6.915 545 HH11 ARG 70 1HH1 ARG 70 -2.311 -18.498 9.448 546 HH12 ARG 70 2HH1 ARG 70 -0.989 -18.908 10.574 547 HH21 ARG 70 1HH2 ARG 70 0.647 -21.085 8.381 548 HH22 ARG 70 2HH2 ARG 70 0.622 -20.319 9.993 549 H SER 71 H SER 71 -1.685 -19.270 3.882 550 HA SER 71 HA SER 71 -1.970 -21.044 2.424 551 HB2 SER 71 1HB SER 71 -3.405 -21.543 4.404 552 HB3 SER 71 2HB SER 71 -4.805 -21.094 3.394 553 HG SER 71 HG SER 71 -4.612 -22.905 2.226 554 H ARG 72 H ARG 72 -1.691 -20.464 0.392 555 HA ARG 72 HA ARG 72 -2.091 -19.696 -1.846 556 HB2 ARG 72 1HB ARG 72 -3.689 -21.555 -1.684 557 HB3 ARG 72 2HB ARG 72 -4.951 -20.314 -1.393 558 HG2 ARG 72 1HG ARG 72 -4.146 -19.249 -3.604 559 HG3 ARG 72 2HG ARG 72 -3.292 -20.765 -3.893 560 HD2 ARG 72 1HD ARG 72 -6.108 -21.180 -3.058 561 HD3 ARG 72 2HD ARG 72 -5.954 -20.278 -4.553 562 HE ARG 72 HE ARG 72 -4.184 -22.465 -4.747 563 HH11 ARG 72 1HH1 ARG 72 -7.701 -22.113 -4.201 564 HH12 ARG 72 2HH1 ARG 72 -8.077 -23.532 -5.215 565 HH21 ARG 72 1HH2 ARG 72 -4.746 -24.269 -5.982 566 HH22 ARG 72 2HH2 ARG 72 -6.463 -24.710 -6.186 567 H LEU 73 H LEU 73 -2.795 -17.966 0.751 568 HA LEU 73 HA LEU 73 -2.965 -15.723 1.152 569 HB2 LEU 73 1HB LEU 73 -2.465 -15.404 -1.738 570 HB3 LEU 73 2HB LEU 73 -2.726 -14.044 -0.595 571 HG LEU 73 HG LEU 73 -0.771 -15.235 0.762 572 HD11 LEU 73 1HD1 LEU 73 0.875 -16.271 -0.682 573 HD12 LEU 73 2HD1 LEU 73 -0.628 -17.223 -0.684 574 HD13 LEU 73 3HD1 LEU 73 -0.237 -16.175 -2.067 575 HD21 LEU 73 3HD2 LEU 73 -0.745 -12.978 -0.118 576 HD22 LEU 73 1HD2 LEU 73 0.804 -13.812 -0.387 577 HD23 LEU 73 2HD2 LEU 73 -0.339 -13.602 -1.735 578 H ALA 74 H ALA 74 -4.648 -15.792 -1.943 579 HA ALA 74 HA ALA 74 -7.394 -15.714 -1.531 580 HB1 ALA 74 3HB ALA 74 -6.492 -12.910 -1.016 581 HB2 ALA 74 1HB ALA 74 -8.147 -13.492 -1.316 582 HB3 ALA 74 2HB ALA 74 -7.278 -14.001 0.151 583 H LYS 75 H LYS 75 -4.860 -13.643 -2.935 584 HA LYS 75 HA LYS 75 -4.645 -12.616 -4.982 585 HB2 LYS 75 1HB LYS 75 -5.484 -15.319 -5.678 586 HB3 LYS 75 2HB LYS 75 -5.486 -14.103 -6.966 587 HG2 LYS 75 1HG LYS 75 -3.197 -13.480 -6.442 588 HG3 LYS 75 2HG LYS 75 -3.186 -14.622 -5.056 589 HD2 LYS 75 1HD LYS 75 -1.936 -15.547 -6.875 590 HD3 LYS 75 2HD LYS 75 -3.453 -16.483 -6.652 591 HE2 LYS 75 1HE LYS 75 -3.376 -14.339 -8.780 592 HE3 LYS 75 2HE LYS 75 -2.587 -15.865 -9.101 593 HZ1 LYS 75 3HZ LYS 75 -5.383 -15.517 -8.301 594 HZ2 LYS 75 1HZ LYS 75 -4.798 -15.853 -9.841 595 HZ3 LYS 75 2HZ LYS 75 -4.623 -16.984 -8.609 596 H GLU 76 H GLU 76 -6.739 -11.507 -3.628 597 HA GLU 76 HA GLU 76 -8.359 -10.309 -5.837 598 HB2 GLU 76 1HB GLU 76 -9.485 -12.559 -5.093 599 HB3 GLU 76 2HB GLU 76 -9.954 -11.671 -3.665 600 HG2 GLU 76 1HG GLU 76 -11.570 -10.608 -4.758 601 HG3 GLU 76 2HG GLU 76 -10.478 -10.111 -6.065 602 H MET 77 H MET 77 -6.700 -8.841 -4.793 603 HA MET 77 HA MET 77 -6.124 -7.038 -3.498 604 HB2 MET 77 1HB MET 77 -7.599 -5.223 -3.503 605 HB3 MET 77 2HB MET 77 -7.297 -6.049 -5.071 606 HG2 MET 77 1HG MET 77 -9.616 -7.099 -4.854 607 HG3 MET 77 2HG MET 77 -9.897 -6.136 -3.447 608 HE1 MET 77 3HE MET 77 -9.945 -6.395 -7.197 609 HE2 MET 77 1HE MET 77 -9.775 -4.721 -7.779 610 HE3 MET 77 2HE MET 77 -8.380 -5.560 -7.060 611 H GLY 78 H GLY 78 -9.400 -7.110 -2.147 612 HA2 GLY 78 1HA GLY 78 -9.010 -8.055 0.445 613 HA3 GLY 78 2HA GLY 78 -8.497 -6.342 0.506 614 H LEU 79 H LEU 79 -9.911 -4.930 0.857 615 HA LEU 79 HA LEU 79 -12.579 -4.627 -0.249 616 HB2 LEU 79 1HB LEU 79 -12.528 -6.235 2.223 617 HB3 LEU 79 2HB LEU 79 -13.568 -4.838 2.291 618 HG LEU 79 HG LEU 79 -13.644 -6.712 -0.070 619 HD11 LEU 79 1HD1 LEU 79 -15.485 -7.866 1.110 620 HD12 LEU 79 2HD1 LEU 79 -13.956 -8.031 2.005 621 HD13 LEU 79 3HD1 LEU 79 -15.188 -6.871 2.556 622 HD21 LEU 79 3HD2 LEU 79 -14.751 -4.526 -0.315 623 HD22 LEU 79 1HD2 LEU 79 -15.940 -5.848 -0.240 624 HD23 LEU 79 2HD2 LEU 79 -15.665 -4.816 1.183 625 H GLY 80 H GLY 80 -10.824 -4.091 2.836 626 HA2 GLY 80 1HA GLY 80 -10.043 -2.059 3.791 627 HA3 GLY 80 2HA GLY 80 -10.514 -1.193 2.329 628 H GLN 81 H GLN 81 -12.708 -0.646 2.001 629 HA GLN 81 HA GLN 81 -14.573 -0.726 4.330 630 HB2 GLN 81 1HB GLN 81 -13.131 1.372 4.643 631 HB3 GLN 81 2HB GLN 81 -13.712 1.961 3.115 632 HG2 GLN 81 1HG GLN 81 -16.023 1.994 3.967 633 HG3 GLN 81 2HG GLN 81 -15.487 1.319 5.494 634 HE21 GLN 81 1HE2 GLN 81 -14.690 2.623 7.057 635 HE22 GLN 81 2HE2 GLN 81 -14.382 4.365 6.833 636 H ARG 82 H ARG 82 -16.634 -0.735 3.733 637 HA ARG 82 HA ARG 82 -17.414 -1.005 0.875 638 HB2 ARG 82 1HB ARG 82 -18.517 -1.653 3.493 639 HB3 ARG 82 2HB ARG 82 -19.703 -0.833 2.485 640 HG2 ARG 82 1HG ARG 82 -18.381 -2.669 0.786 641 HG3 ARG 82 2HG ARG 82 -18.719 -3.526 2.310 642 HD2 ARG 82 1HD ARG 82 -21.067 -2.041 1.844 643 HD3 ARG 82 2HD ARG 82 -20.609 -2.602 0.235 644 HE ARG 82 HE ARG 82 -21.182 -4.740 0.817 645 HH11 ARG 82 1HH1 ARG 82 -20.899 -2.890 3.878 646 HH12 ARG 82 2HH1 ARG 82 -21.418 -4.294 4.848 647 HH21 ARG 82 1HH2 ARG 82 -21.892 -6.419 2.107 648 HH22 ARG 82 2HH2 ARG 82 -21.963 -6.223 3.879 649 H ARG 83 H ARG 83 -18.809 0.151 -0.279 650 HA ARG 83 HA ARG 83 -19.246 3.032 0.587 651 HB2 ARG 83 1HB ARG 83 -18.891 3.766 -1.574 652 HB3 ARG 83 2HB ARG 83 -17.535 2.654 -1.179 653 HG2 ARG 83 1HG ARG 83 -17.916 1.812 -3.225 654 HG3 ARG 83 2HG ARG 83 -19.293 0.986 -2.467 655 HD2 ARG 83 1HD ARG 83 -20.244 3.596 -3.051 656 HD3 ARG 83 2HD ARG 83 -19.313 3.128 -4.471 657 HE ARG 83 HE ARG 83 -20.956 0.926 -3.695 658 HH11 ARG 83 1HH1 ARG 83 -21.298 4.202 -5.116 659 HH12 ARG 83 2HH1 ARG 83 -22.792 3.748 -5.978 660 HH21 ARG 83 1HH2 ARG 83 -22.833 0.439 -4.838 661 HH22 ARG 83 2HH2 ARG 83 -23.630 1.693 -5.826 662 H LYS 84 H LYS 84 -21.168 3.979 0.201 663 HA LYS 84 HA LYS 84 -23.351 2.569 -1.263 664 HB2 LYS 84 1HB LYS 84 -23.293 1.657 1.184 665 HB3 LYS 84 2HB LYS 84 -23.857 3.243 1.658 666 HG2 LYS 84 1HG LYS 84 -25.833 3.018 0.247 667 HG3 LYS 84 2HG LYS 84 -25.247 1.462 -0.365 668 HD2 LYS 84 1HD LYS 84 -25.241 0.609 2.034 669 HD3 LYS 84 2HD LYS 84 -26.011 2.116 2.521 670 HE2 LYS 84 1HE LYS 84 -27.926 1.642 1.036 671 HE3 LYS 84 2HE LYS 84 -27.148 0.154 0.487 672 HZ1 LYS 84 3HZ LYS 84 -27.926 0.773 3.258 673 HZ2 LYS 84 1HZ LYS 84 -28.732 -0.257 2.200 674 HZ3 LYS 84 2HZ LYS 84 -27.186 -0.643 2.736 675 H ALA 85 H ALA 85 -23.740 4.140 -2.602 676 HA ALA 85 HA ALA 85 -23.923 7.009 -1.910 677 HB1 ALA 85 3HB ALA 85 -24.903 5.454 -4.315 678 HB2 ALA 85 1HB ALA 85 -24.779 7.223 -4.175 679 HB3 ALA 85 2HB ALA 85 -23.307 6.223 -4.142 680 H ASN 86 H ASN 86 -25.553 8.261 -1.477 681 HA ASN 86 HA ASN 86 -28.389 7.499 -1.673 682 HB2 ASN 86 1HB ASN 86 -27.700 6.266 0.476 683 HB3 ASN 86 2HB ASN 86 -27.256 7.786 1.173 684 HD21 ASN 86 1HD2 ASN 86 -28.668 7.667 2.817 685 HD22 ASN 86 2HD2 ASN 86 -30.410 7.953 2.561 686 H ARG 87 H ARG 87 -29.786 9.221 -1.125 687 HA ARG 87 HA ARG 87 -28.913 11.915 -1.778 688 HB2 ARG 87 1HB ARG 87 -31.246 11.020 -2.105 689 HB3 ARG 87 2HB ARG 87 -31.473 10.974 -0.388 690 HG2 ARG 87 1HG ARG 87 -31.034 13.458 -0.329 691 HG3 ARG 87 2HG ARG 87 -31.039 13.423 -2.093 692 HD2 ARG 87 1HD ARG 87 -33.286 13.203 -2.194 693 HD3 ARG 87 2HD ARG 87 -33.322 11.989 -0.899 694 HE ARG 87 HE ARG 87 -33.714 14.875 -0.652 695 HH11 ARG 87 1HH1 ARG 87 -32.807 11.936 1.197 696 HH12 ARG 87 2HH1 ARG 87 -33.160 12.729 2.756 697 HH21 ARG 87 1HH2 ARG 87 -34.153 15.776 1.355 698 HH22 ARG 87 2HH2 ARG 87 -33.895 14.824 2.842 Start of MODEL 11 1 H1 ALA 1 1H ALA 1 6.655 19.738 1.828 2 HA ALA 1 HA ALA 1 4.027 19.572 0.776 3 HB1 ALA 1 3HB ALA 1 6.118 18.645 -1.168 4 HB2 ALA 1 1HB ALA 1 4.375 18.303 -1.272 5 HB3 ALA 1 2HB ALA 1 4.959 19.982 -1.359 6 H VAL 2 H VAL 2 6.687 17.159 0.367 7 HA VAL 2 HA VAL 2 5.563 15.489 2.492 8 HB VAL 2 HB VAL 2 5.868 14.333 -0.314 9 HG11 VAL 2 1HG1 VAL 2 5.047 12.277 0.689 10 HG12 VAL 2 2HG1 VAL 2 6.583 12.761 1.447 11 HG13 VAL 2 3HG1 VAL 2 5.044 13.033 2.300 12 HG21 VAL 2 3HG2 VAL 2 3.819 15.617 -0.124 13 HG22 VAL 2 1HG2 VAL 2 3.520 13.865 -0.204 14 HG23 VAL 2 2HG2 VAL 2 3.391 14.719 1.352 15 H ASN 3 H ASN 3 7.828 15.084 -0.297 16 HA ASN 3 HA ASN 3 10.076 14.105 1.224 17 HB2 ASN 3 1HB ASN 3 11.224 14.358 -1.018 18 HB3 ASN 3 2HB ASN 3 9.805 13.376 -1.084 19 HD21 ASN 3 1HD2 ASN 3 7.994 14.043 -2.342 20 HD22 ASN 3 2HD2 ASN 3 8.087 15.544 -3.205 21 H VAL 4 H VAL 4 11.556 15.129 2.230 22 HA VAL 4 HA VAL 4 12.738 17.670 1.690 23 HB VAL 4 HB VAL 4 10.719 18.676 2.208 24 HG11 VAL 4 1HG1 VAL 4 9.837 18.789 4.490 25 HG12 VAL 4 2HG1 VAL 4 9.691 17.145 3.827 26 HG13 VAL 4 3HG1 VAL 4 10.973 17.519 5.003 27 HG21 VAL 4 3HG2 VAL 4 12.707 19.861 2.478 28 HG22 VAL 4 1HG2 VAL 4 11.554 20.300 3.761 29 HG23 VAL 4 2HG2 VAL 4 12.927 19.228 4.126 30 H GLU 5 H GLU 5 11.812 15.862 4.716 31 HA GLU 5 HA GLU 5 14.555 14.808 4.979 32 HB2 GLU 5 1HB GLU 5 13.738 17.208 6.175 33 HB3 GLU 5 2HB GLU 5 13.592 15.971 7.463 34 HG2 GLU 5 1HG GLU 5 15.839 16.857 7.660 35 HG3 GLU 5 2HG GLU 5 16.039 15.319 6.873 36 H LYS 6 H LYS 6 13.429 12.808 4.572 37 HA LYS 6 HA LYS 6 12.473 11.226 6.623 38 HB2 LYS 6 1HB LYS 6 10.539 12.722 6.793 39 HB3 LYS 6 2HB LYS 6 10.094 12.267 5.117 40 HG2 LYS 6 1HG LYS 6 8.764 10.923 6.510 41 HG3 LYS 6 2HG LYS 6 10.091 9.858 5.945 42 HD2 LYS 6 1HD LYS 6 9.857 9.322 8.258 43 HD3 LYS 6 2HD LYS 6 11.220 10.420 8.236 44 HE2 LYS 6 1HE LYS 6 9.788 12.286 8.954 45 HE3 LYS 6 2HE LYS 6 8.358 11.277 8.846 46 HZ1 LYS 6 3HZ LYS 6 10.610 10.895 10.644 47 HZ2 LYS 6 1HZ LYS 6 9.106 11.396 11.023 48 HZ3 LYS 6 2HZ LYS 6 9.348 9.865 10.509 49 H GLN 7 H GLN 7 11.094 11.823 3.362 50 HA GLN 7 HA GLN 7 10.723 9.463 2.277 51 HB2 GLN 7 1HB GLN 7 10.330 11.701 1.166 52 HB3 GLN 7 2HB GLN 7 12.019 11.810 0.782 53 HG2 GLN 7 1HG GLN 7 11.158 9.276 -0.230 54 HG3 GLN 7 2HG GLN 7 9.949 10.450 -0.670 55 HE21 GLN 7 1HE2 GLN 7 10.324 11.746 -2.389 56 HE22 GLN 7 2HE2 GLN 7 11.910 11.926 -3.094 57 H LYS 8 H LYS 8 12.111 7.809 2.991 58 HA LYS 8 HA LYS 8 14.534 7.431 1.241 59 HB2 LYS 8 1HB LYS 8 14.026 6.534 4.073 60 HB3 LYS 8 2HB LYS 8 15.303 5.913 3.045 61 HG2 LYS 8 1HG LYS 8 16.072 8.385 2.758 62 HG3 LYS 8 2HG LYS 8 14.983 8.773 4.056 63 HD2 LYS 8 1HD LYS 8 17.063 8.450 5.089 64 HD3 LYS 8 2HD LYS 8 16.219 6.953 5.426 65 HE2 LYS 8 1HE LYS 8 17.399 5.844 3.556 66 HE3 LYS 8 2HE LYS 8 18.225 7.353 3.173 67 HZ1 LYS 8 3HZ LYS 8 18.422 5.856 5.661 68 HZ2 LYS 8 1HZ LYS 8 19.566 6.006 4.506 69 HZ3 LYS 8 2HZ LYS 8 19.123 7.307 5.392 70 HA PRO 9 HA PRO 9 12.655 3.713 -0.364 71 HB2 PRO 9 1HB PRO 9 14.954 2.452 -1.176 72 HB3 PRO 9 2HB PRO 9 14.185 3.733 -2.112 73 HG2 PRO 9 1HG PRO 9 16.535 3.950 -0.176 74 HG3 PRO 9 2HG PRO 9 16.371 4.667 -1.776 75 HD2 PRO 9 1HD PRO 9 15.770 6.134 0.534 76 HD3 PRO 9 2HD PRO 9 14.754 6.348 -0.971 77 H ALA 10 H ALA 10 11.844 2.316 1.056 78 HA ALA 10 HA ALA 10 13.288 1.454 3.441 79 HB1 ALA 10 3HB ALA 10 10.505 0.942 2.373 80 HB2 ALA 10 1HB ALA 10 11.116 0.464 3.974 81 HB3 ALA 10 2HB ALA 10 10.982 2.187 3.553 82 H VAL 11 H VAL 11 14.898 0.595 1.822 83 HA VAL 11 HA VAL 11 15.982 -1.007 0.527 84 HB VAL 11 HB VAL 11 16.105 -3.198 1.361 85 HG11 VAL 11 1HG1 VAL 11 17.234 -2.483 3.422 86 HG12 VAL 11 2HG1 VAL 11 17.569 -1.345 2.096 87 HG13 VAL 11 3HG1 VAL 11 16.388 -0.918 3.358 88 HG21 VAL 11 3HG2 VAL 11 13.970 -3.655 2.226 89 HG22 VAL 11 1HG2 VAL 11 15.236 -3.826 3.464 90 HG23 VAL 11 2HG2 VAL 11 14.170 -2.401 3.473 91 H SER 12 H SER 12 15.359 -3.606 -0.185 92 HA SER 12 HA SER 12 13.190 -3.320 -2.153 93 HB2 SER 12 1HB SER 12 15.407 -4.357 -2.767 94 HB3 SER 12 2HB SER 12 15.042 -5.681 -1.652 95 HG SER 12 HG SER 12 14.436 -5.893 -4.026 96 H VAL 13 H VAL 13 11.756 -5.268 -2.325 97 HA VAL 13 HA VAL 13 10.047 -5.658 -0.034 98 HB VAL 13 HB VAL 13 9.397 -5.524 -2.463 99 HG11 VAL 13 1HG1 VAL 13 9.518 -7.520 -3.800 100 HG12 VAL 13 2HG1 VAL 13 11.159 -6.943 -3.421 101 HG13 VAL 13 3HG1 VAL 13 10.484 -8.343 -2.553 102 HG21 VAL 13 3HG2 VAL 13 7.851 -6.027 -0.861 103 HG22 VAL 13 1HG2 VAL 13 7.628 -6.992 -2.339 104 HG23 VAL 13 2HG2 VAL 13 8.319 -7.743 -0.882 105 H ARG 14 H ARG 14 9.532 -8.515 -0.434 106 HA ARG 14 HA ARG 14 9.873 -10.478 0.708 107 HB2 ARG 14 1HB ARG 14 12.769 -9.872 0.366 108 HB3 ARG 14 2HB ARG 14 12.077 -11.373 0.978 109 HG2 ARG 14 1HG ARG 14 11.083 -11.908 -1.148 110 HG3 ARG 14 2HG ARG 14 11.143 -10.270 -1.713 111 HD2 ARG 14 1HD ARG 14 12.841 -11.405 -2.896 112 HD3 ARG 14 2HD ARG 14 13.724 -10.509 -1.696 113 HE ARG 14 HE ARG 14 13.130 -13.047 -0.658 114 HH11 ARG 14 1HH1 ARG 14 15.268 -11.468 -2.976 115 HH12 ARG 14 2HH1 ARG 14 16.409 -12.772 -2.978 116 HH21 ARG 14 1HH2 ARG 14 14.708 -14.714 -0.682 117 HH22 ARG 14 2HH2 ARG 14 16.099 -14.544 -1.694 118 H LYS 15 H LYS 15 12.265 -8.152 2.143 119 HA LYS 15 HA LYS 15 11.285 -8.819 4.905 120 HB2 LYS 15 1HB LYS 15 13.764 -8.859 4.052 121 HB3 LYS 15 2HB LYS 15 13.648 -7.115 4.318 122 HG2 LYS 15 1HG LYS 15 12.620 -7.771 6.655 123 HG3 LYS 15 2HG LYS 15 13.315 -9.354 6.346 124 HD2 LYS 15 1HD LYS 15 15.561 -8.279 6.036 125 HD3 LYS 15 2HD LYS 15 14.846 -6.721 6.427 126 HE2 LYS 15 1HE LYS 15 15.800 -7.539 8.461 127 HE3 LYS 15 2HE LYS 15 14.067 -7.780 8.644 128 HZ1 LYS 15 3HZ LYS 15 16.030 -9.783 7.887 129 HZ2 LYS 15 1HZ LYS 15 15.212 -9.681 9.296 130 HZ3 LYS 15 2HZ LYS 15 14.418 -10.041 7.911 131 H SER 16 H SER 16 10.067 -6.793 2.709 132 HA SER 16 HA SER 16 9.734 -4.307 3.996 133 HB2 SER 16 1HB SER 16 9.003 -5.011 1.680 134 HB3 SER 16 2HB SER 16 7.628 -5.814 2.433 135 HG SER 16 HG SER 16 7.225 -3.603 1.731 136 H VAL 17 H VAL 17 8.546 -7.442 4.865 137 HA VAL 17 HA VAL 17 6.616 -6.600 6.878 138 HB VAL 17 HB VAL 17 7.723 -9.192 5.776 139 HG11 VAL 17 1HG1 VAL 17 6.400 -10.517 7.356 140 HG12 VAL 17 2HG1 VAL 17 7.680 -9.609 8.195 141 HG13 VAL 17 3HG1 VAL 17 5.993 -9.044 8.268 142 HG21 VAL 17 3HG2 VAL 17 5.800 -8.152 4.652 143 HG22 VAL 17 1HG2 VAL 17 5.315 -9.676 5.431 144 HG23 VAL 17 2HG2 VAL 17 4.902 -8.119 6.188 145 H GLN 18 H GLN 18 7.411 -5.829 8.818 146 HA GLN 18 HA GLN 18 9.838 -7.130 9.978 147 HB2 GLN 18 1HB GLN 18 8.790 -4.310 10.487 148 HB3 GLN 18 2HB GLN 18 10.246 -4.999 11.122 149 HG2 GLN 18 1HG GLN 18 11.184 -5.172 8.846 150 HG3 GLN 18 2HG GLN 18 9.699 -4.498 8.186 151 HE21 GLN 18 1HE2 GLN 18 12.720 -3.833 9.610 152 HE22 GLN 18 2HE2 GLN 18 12.467 -2.122 9.856 153 H ASP 19 H ASP 19 9.590 -6.396 12.595 154 HA ASP 19 HA ASP 19 7.777 -8.338 13.718 155 HB2 ASP 19 1HB ASP 19 10.049 -7.685 14.637 156 HB3 ASP 19 2HB ASP 19 9.374 -6.170 15.142 157 H ASP 20 H ASP 20 5.712 -7.716 12.874 158 HA ASP 20 HA ASP 20 3.659 -6.812 12.926 159 HB2 ASP 20 1HB ASP 20 4.394 -6.512 15.803 160 HB3 ASP 20 2HB ASP 20 2.900 -5.850 15.223 161 H HIS 21 H HIS 21 5.752 -5.145 11.809 162 HA HIS 21 HA HIS 21 4.353 -2.585 11.753 163 HB2 HIS 21 1HB HIS 21 6.213 -1.228 12.212 164 HB3 HIS 21 2HB HIS 21 5.760 -2.247 13.628 165 HD1 HIS 21 HD1 HIS 21 7.607 -3.942 14.431 166 HD2 HIS 21 HD2 HIS 21 8.666 -1.437 11.316 167 HE1 HIS 21 HE1 HIS 21 10.156 -3.762 14.511 168 H ILE 22 H ILE 22 4.084 -2.229 9.679 169 HA ILE 22 HA ILE 22 5.885 -3.307 7.638 170 HB ILE 22 HB ILE 22 3.314 -3.380 7.795 171 HG12 ILE 22 1HG1 ILE 22 4.525 -2.770 5.093 172 HG13 ILE 22 2HG1 ILE 22 4.930 -4.222 5.974 173 HG21 ILE 22 1HG2 ILE 22 2.199 -1.680 6.416 174 HG22 ILE 22 2HG2 ILE 22 2.865 -0.963 7.903 175 HG23 ILE 22 3HG2 ILE 22 3.704 -0.733 6.350 176 HD11 ILE 22 3HD1 ILE 22 2.137 -3.368 5.172 177 HD12 ILE 22 1HD1 ILE 22 3.135 -4.625 4.404 178 HD13 ILE 22 2HD1 ILE 22 2.550 -4.848 6.070 179 H VAL 23 H VAL 23 7.287 -2.148 6.389 180 HA VAL 23 HA VAL 23 7.970 0.589 7.289 181 HB VAL 23 HB VAL 23 9.542 -1.246 7.368 182 HG11 VAL 23 1HG1 VAL 23 10.742 -1.926 5.344 183 HG12 VAL 23 2HG1 VAL 23 9.050 -2.475 5.301 184 HG13 VAL 23 3HG1 VAL 23 9.552 -1.066 4.337 185 HG21 VAL 23 3HG2 VAL 23 10.224 0.938 7.591 186 HG22 VAL 23 1HG2 VAL 23 11.398 0.033 6.607 187 HG23 VAL 23 2HG2 VAL 23 10.276 1.173 5.829 188 H CYS 24 H CYS 24 7.287 2.370 6.262 189 HA CYS 24 HA CYS 24 5.828 2.218 3.875 190 HB2 CYS 24 1HB CYS 24 5.465 3.894 5.664 191 HB3 CYS 24 2HB CYS 24 6.969 4.698 5.174 192 H LEU 25 H LEU 25 6.978 1.501 2.041 193 HA LEU 25 HA LEU 25 9.469 2.359 1.136 194 HB2 LEU 25 1HB LEU 25 6.977 1.563 -0.297 195 HB3 LEU 25 2HB LEU 25 8.434 2.149 -1.180 196 HG LEU 25 HG LEU 25 8.388 -0.316 -1.218 197 HD11 LEU 25 1HD1 LEU 25 10.512 -0.815 -0.372 198 HD12 LEU 25 2HD1 LEU 25 10.491 0.728 -1.259 199 HD13 LEU 25 3HD1 LEU 25 10.555 0.724 0.519 200 HD21 LEU 25 3HD2 LEU 25 7.010 -0.724 0.765 201 HD22 LEU 25 1HD2 LEU 25 8.531 -1.648 0.760 202 HD23 LEU 25 2HD2 LEU 25 8.368 -0.209 1.793 203 H GLU 26 H GLU 26 10.216 4.057 -0.056 204 HA GLU 26 HA GLU 26 10.573 6.309 -0.525 205 HB2 GLU 26 1HB GLU 26 8.301 5.552 -1.923 206 HB3 GLU 26 2HB GLU 26 7.774 6.973 -1.075 207 HG2 GLU 26 1HG GLU 26 9.117 8.356 -2.297 208 HG3 GLU 26 2HG GLU 26 10.453 7.231 -2.349 209 H CYS 27 H CYS 27 9.327 5.404 2.380 210 HA CYS 27 HA CYS 27 9.276 8.226 3.210 211 HB2 CYS 27 1HB CYS 27 7.033 6.545 3.205 212 HB3 CYS 27 2HB CYS 27 7.579 6.620 4.891 213 H GLY 28 H GLY 28 9.514 4.671 4.382 214 HA2 GLY 28 1HA GLY 28 11.402 3.877 5.554 215 HA3 GLY 28 2HA GLY 28 11.781 5.493 6.117 216 H GLY 29 H GLY 29 9.460 6.454 7.231 217 HA2 GLY 29 1HA GLY 29 9.116 5.288 9.748 218 HA3 GLY 29 2HA GLY 29 7.934 6.302 8.968 219 H SER 30 H SER 30 7.592 4.056 10.767 220 HA SER 30 HA SER 30 6.113 2.088 9.052 221 HB2 SER 30 1HB SER 30 7.983 1.122 10.311 222 HB3 SER 30 2HB SER 30 7.333 1.797 11.812 223 HG SER 30 HG SER 30 6.773 -0.428 11.403 224 H PHE 31 H PHE 31 4.087 1.746 9.311 225 HA PHE 31 HA PHE 31 2.614 2.838 11.642 226 HB2 PHE 31 1HB PHE 31 0.838 3.529 9.952 227 HB3 PHE 31 2HB PHE 31 2.333 4.513 10.059 228 HD1 PHE 31 HD1 PHE 31 1.607 1.300 8.086 229 HD2 PHE 31 HD2 PHE 31 2.586 5.472 8.012 230 HE1 PHE 31 HE1 PHE 31 2.626 1.012 5.868 231 HE2 PHE 31 HE2 PHE 31 3.728 5.134 5.862 232 HZ PHE 31 HZ PHE 31 3.659 2.916 4.737 233 H LYS 32 H LYS 32 3.187 -0.020 10.285 234 HA LYS 32 HA LYS 32 2.202 -2.002 9.908 235 HB2 LYS 32 1HB LYS 32 -0.111 -1.153 11.657 236 HB3 LYS 32 2HB LYS 32 0.353 -2.766 11.239 237 HG2 LYS 32 1HG LYS 32 1.611 -2.815 13.039 238 HG3 LYS 32 2HG LYS 32 2.676 -1.593 12.334 239 HD2 LYS 32 1HD LYS 32 1.936 -0.648 14.414 240 HD3 LYS 32 2HD LYS 32 0.956 0.161 13.204 241 HE2 LYS 32 1HE LYS 32 -0.767 -1.783 13.668 242 HE3 LYS 32 2HE LYS 32 0.147 -1.978 15.164 243 HZ1 LYS 32 3HZ LYS 32 -1.288 0.351 14.223 244 HZ2 LYS 32 1HZ LYS 32 -1.487 -0.479 15.610 245 HZ3 LYS 32 2HZ LYS 32 -0.166 0.471 15.401 246 H SER 33 H SER 33 -0.292 0.596 9.351 247 HA SER 33 HA SER 33 -1.161 -0.912 6.877 248 HB2 SER 33 1HB SER 33 -2.934 -0.811 8.526 249 HB3 SER 33 2HB SER 33 -2.813 0.957 8.537 250 HG SER 33 HG SER 33 -4.441 0.145 7.074 251 H LEU 34 H LEU 34 -0.335 -0.191 5.182 252 HA LEU 34 HA LEU 34 0.214 2.673 4.624 253 HB2 LEU 34 1HB LEU 34 1.812 0.941 4.181 254 HB3 LEU 34 2HB LEU 34 0.635 0.183 3.042 255 HG LEU 34 HG LEU 34 0.900 1.886 1.481 256 HD11 LEU 34 1HD1 LEU 34 2.295 3.891 1.798 257 HD12 LEU 34 2HD1 LEU 34 0.942 3.875 2.954 258 HD13 LEU 34 3HD1 LEU 34 2.579 3.435 3.495 259 HD21 LEU 34 3HD2 LEU 34 2.778 0.261 1.629 260 HD22 LEU 34 1HD2 LEU 34 3.380 1.855 1.115 261 HD23 LEU 34 2HD2 LEU 34 3.607 1.318 2.796 262 H LYS 35 H LYS 35 -2.566 0.709 4.451 263 HA LYS 35 HA LYS 35 -3.758 1.079 1.937 264 HB2 LYS 35 1HB LYS 35 -4.418 0.281 4.601 265 HB3 LYS 35 2HB LYS 35 -5.679 1.396 3.982 266 HG2 LYS 35 1HG LYS 35 -4.805 -0.918 2.240 267 HG3 LYS 35 2HG LYS 35 -5.890 -1.234 3.571 268 HD2 LYS 35 1HD LYS 35 -7.421 0.586 2.648 269 HD3 LYS 35 2HD LYS 35 -6.379 0.652 1.241 270 HE2 LYS 35 1HE LYS 35 -8.238 -0.864 0.762 271 HE3 LYS 35 2HE LYS 35 -6.801 -1.837 0.883 272 HZ1 LYS 35 3HZ LYS 35 -8.805 -1.487 2.949 273 HZ2 LYS 35 1HZ LYS 35 -8.551 -2.795 2.013 274 HZ3 LYS 35 2HZ LYS 35 -7.433 -2.357 3.116 275 H ARG 36 H ARG 36 -4.476 3.154 4.799 276 HA ARG 36 HA ARG 36 -5.448 5.338 3.316 277 HB2 ARG 36 1HB ARG 36 -4.678 5.003 6.179 278 HB3 ARG 36 2HB ARG 36 -5.165 6.565 5.518 279 HG2 ARG 36 1HG ARG 36 -6.823 4.021 5.211 280 HG3 ARG 36 2HG ARG 36 -7.072 5.216 6.483 281 HD2 ARG 36 1HD ARG 36 -7.827 6.861 4.968 282 HD3 ARG 36 2HD ARG 36 -7.045 6.098 3.584 283 HE ARG 36 HE ARG 36 -9.640 5.566 4.629 284 HH11 ARG 36 1HH1 ARG 36 -7.142 4.280 2.505 285 HH12 ARG 36 2HH1 ARG 36 -8.128 2.965 1.961 286 HH21 ARG 36 1HH2 ARG 36 -10.950 3.981 3.684 287 HH22 ARG 36 2HH2 ARG 36 -10.259 2.831 2.592 288 H HIS 37 H HIS 37 -2.485 5.398 5.290 289 HA HIS 37 HA HIS 37 -1.211 7.584 4.791 290 HB2 HIS 37 1HB HIS 37 -0.268 5.898 6.145 291 HB3 HIS 37 2HB HIS 37 0.114 4.899 4.707 292 HD1 HIS 37 HD1 HIS 37 1.520 7.425 6.958 293 HD2 HIS 37 HD2 HIS 37 2.089 6.217 2.951 294 HE1 HIS 37 HE1 HIS 37 3.793 8.358 6.210 295 H LEU 38 H LEU 38 -1.010 4.811 2.461 296 HA LEU 38 HA LEU 38 0.621 5.899 0.483 297 HB2 LEU 38 1HB LEU 38 -0.300 3.554 0.891 298 HB3 LEU 38 2HB LEU 38 -1.679 4.112 -0.123 299 HG LEU 38 HG LEU 38 0.153 2.771 -1.318 300 HD11 LEU 38 1HD1 LEU 38 0.049 4.082 -3.298 301 HD12 LEU 38 2HD1 LEU 38 -1.534 3.964 -2.493 302 HD13 LEU 38 3HD1 LEU 38 -0.585 5.466 -2.376 303 HD21 LEU 38 3HD2 LEU 38 2.102 3.823 -0.236 304 HD22 LEU 38 1HD2 LEU 38 2.132 4.001 -2.007 305 HD23 LEU 38 2HD2 LEU 38 1.663 5.379 -0.983 306 H THR 39 H THR 39 -2.978 5.601 0.160 307 HA THR 39 HA THR 39 -3.317 7.410 -1.917 308 HB THR 39 HB THR 39 -5.388 6.581 0.154 309 HG1 THR 39 HG1 THR 39 -4.247 5.329 -2.197 310 HG21 THR 39 3HG2 THR 39 -5.631 7.319 -2.765 311 HG22 THR 39 1HG2 THR 39 -6.929 6.767 -1.679 312 HG23 THR 39 2HG2 THR 39 -6.134 8.335 -1.394 313 H THR 40 H THR 40 -3.383 8.105 1.638 314 HA THR 40 HA THR 40 -4.070 10.798 1.533 315 HB THR 40 HB THR 40 -2.248 9.455 3.583 316 HG1 THR 40 HG1 THR 40 -4.447 9.351 4.626 317 HG21 THR 40 3HG2 THR 40 -4.086 11.838 3.807 318 HG22 THR 40 1HG2 THR 40 -3.143 11.075 5.108 319 HG23 THR 40 2HG2 THR 40 -2.308 11.900 3.770 320 H HIS 41 H HIS 41 -0.670 9.529 1.818 321 HA HIS 41 HA HIS 41 0.457 12.284 1.463 322 HB2 HIS 41 1HB HIS 41 1.687 9.754 2.509 323 HB3 HIS 41 2HB HIS 41 2.565 11.204 2.169 324 HD1 HIS 41 HD1 HIS 41 -0.321 12.716 3.457 325 HD2 HIS 41 HD2 HIS 41 2.710 10.336 4.961 326 HE1 HIS 41 HE1 HIS 41 -0.028 13.407 5.905 327 H HIS 42 H HIS 42 1.940 9.254 0.369 328 HA HIS 42 HA HIS 42 2.833 10.097 -2.079 329 HB2 HIS 42 1HB HIS 42 1.943 7.295 -1.702 330 HB3 HIS 42 2HB HIS 42 3.395 7.968 -2.506 331 HD1 HIS 42 HD1 HIS 42 5.484 8.392 -1.097 332 HD2 HIS 42 HD2 HIS 42 2.141 7.070 1.120 333 HE1 HIS 42 HE1 HIS 42 6.331 7.802 1.256 334 H SER 43 H SER 43 -0.558 9.302 -1.203 335 HA SER 43 HA SER 43 -2.515 9.601 -2.354 336 HB2 SER 43 1HB SER 43 -0.965 10.644 -4.721 337 HB3 SER 43 2HB SER 43 -2.706 10.670 -4.486 338 HG SER 43 HG SER 43 -0.729 11.986 -2.857 339 H MET 44 H MET 44 -3.464 8.721 -4.662 340 HA MET 44 HA MET 44 -3.743 7.129 -6.250 341 HB2 MET 44 1HB MET 44 -0.918 6.242 -5.703 342 HB3 MET 44 2HB MET 44 -1.973 5.719 -7.056 343 HG2 MET 44 1HG MET 44 -1.923 8.020 -7.988 344 HG3 MET 44 2HG MET 44 -0.977 8.587 -6.641 345 HE1 MET 44 3HE MET 44 1.115 6.192 -6.176 346 HE2 MET 44 1HE MET 44 2.455 6.749 -7.207 347 HE3 MET 44 2HE MET 44 1.563 7.914 -6.200 348 H THR 45 H THR 45 -3.881 4.735 -6.641 349 HA THR 45 HA THR 45 -4.928 3.319 -4.311 350 HB THR 45 HB THR 45 -5.384 1.499 -5.886 351 HG1 THR 45 HG1 THR 45 -5.065 2.049 -8.165 352 HG21 THR 45 3HG2 THR 45 -6.270 4.220 -6.881 353 HG22 THR 45 1HG2 THR 45 -7.040 2.654 -7.227 354 HG23 THR 45 2HG2 THR 45 -7.037 3.297 -5.567 355 HA PRO 46 HA PRO 46 -1.336 1.121 -2.998 356 HB2 PRO 46 1HB PRO 46 -2.448 -1.274 -2.404 357 HB3 PRO 46 2HB PRO 46 -2.414 0.207 -1.337 358 HG2 PRO 46 1HG PRO 46 -4.702 -0.823 -3.131 359 HG3 PRO 46 2HG PRO 46 -4.834 -0.220 -1.481 360 HD2 PRO 46 1HD PRO 46 -5.343 1.469 -3.546 361 HD3 PRO 46 2HD PRO 46 -4.447 2.068 -2.150 362 H GLU 47 H GLU 47 -3.533 -0.882 -5.134 363 HA GLU 47 HA GLU 47 -1.565 -2.454 -6.273 364 HB2 GLU 47 1HB GLU 47 -4.287 -1.746 -7.016 365 HB3 GLU 47 2HB GLU 47 -3.234 -2.341 -8.314 366 HG2 GLU 47 1HG GLU 47 -2.606 -4.312 -6.849 367 HG3 GLU 47 2HG GLU 47 -3.712 -3.738 -5.620 368 H GLU 48 H GLU 48 -2.581 0.856 -7.528 369 HA GLU 48 HA GLU 48 -0.807 0.894 -9.755 370 HB2 GLU 48 1HB GLU 48 -2.619 2.687 -8.561 371 HB3 GLU 48 2HB GLU 48 -1.051 3.490 -8.562 372 HG2 GLU 48 1HG GLU 48 -1.886 4.034 -10.635 373 HG3 GLU 48 2HG GLU 48 -0.872 2.602 -11.006 374 H TYR 49 H TYR 49 -0.382 1.966 -6.393 375 HA TYR 49 HA TYR 49 2.367 2.845 -6.407 376 HB2 TYR 49 1HB TYR 49 1.210 3.357 -4.555 377 HB3 TYR 49 2HB TYR 49 0.465 1.730 -4.424 378 HD1 TYR 49 HD1 TYR 49 3.550 3.719 -3.750 379 HD2 TYR 49 HD2 TYR 49 1.517 -0.034 -3.273 380 HE1 TYR 49 HE1 TYR 49 5.279 2.981 -2.139 381 HE2 TYR 49 HE2 TYR 49 3.423 -0.887 -1.973 382 HH TYR 49 HH TYR 49 5.027 -0.250 -0.570 383 H ARG 50 H ARG 50 1.184 -0.556 -5.816 384 HA ARG 50 HA ARG 50 3.688 -1.725 -5.398 385 HB2 ARG 50 1HB ARG 50 2.825 -3.655 -5.432 386 HB3 ARG 50 2HB ARG 50 1.377 -2.622 -5.111 387 HG2 ARG 50 1HG ARG 50 0.557 -4.296 -6.542 388 HG3 ARG 50 2HG ARG 50 0.880 -2.987 -7.651 389 HD2 ARG 50 1HD ARG 50 2.901 -4.035 -8.456 390 HD3 ARG 50 2HD ARG 50 2.917 -5.194 -7.146 391 HE ARG 50 HE ARG 50 1.545 -6.488 -8.312 392 HH11 ARG 50 1HH1 ARG 50 1.480 -3.417 -10.009 393 HH12 ARG 50 2HH1 ARG 50 0.335 -3.980 -11.185 394 HH21 ARG 50 1HH2 ARG 50 0.119 -7.184 -9.908 395 HH22 ARG 50 2HH2 ARG 50 -0.409 -6.071 -11.120 396 H GLU 51 H GLU 51 2.149 -0.903 -8.547 397 HA GLU 51 HA GLU 51 4.084 -2.166 -10.274 398 HB2 GLU 51 1HB GLU 51 1.729 -1.483 -10.850 399 HB3 GLU 51 2HB GLU 51 2.301 0.166 -10.925 400 HG2 GLU 51 1HG GLU 51 3.855 -0.384 -12.742 401 HG3 GLU 51 2HG GLU 51 3.570 -2.084 -12.561 402 H LYS 52 H LYS 52 3.951 1.162 -8.833 403 HA LYS 52 HA LYS 52 6.177 2.331 -10.104 404 HB2 LYS 52 1HB LYS 52 4.761 3.681 -8.917 405 HB3 LYS 52 2HB LYS 52 4.886 2.670 -7.435 406 HG2 LYS 52 1HG LYS 52 6.008 4.815 -7.185 407 HG3 LYS 52 2HG LYS 52 7.157 3.443 -7.088 408 HD2 LYS 52 1HD LYS 52 7.759 3.917 -9.504 409 HD3 LYS 52 2HD LYS 52 6.791 5.394 -9.391 410 HE2 LYS 52 1HE LYS 52 8.219 6.249 -7.584 411 HE3 LYS 52 2HE LYS 52 9.115 4.733 -7.521 412 HZ1 LYS 52 3HZ LYS 52 9.019 6.583 -9.771 413 HZ2 LYS 52 1HZ LYS 52 10.275 6.321 -8.760 414 HZ3 LYS 52 2HZ LYS 52 9.786 5.141 -9.775 415 H TRP 53 H TRP 53 6.161 0.641 -6.894 416 HA TRP 53 HA TRP 53 9.013 0.304 -6.918 417 HB2 TRP 53 1HB TRP 53 6.750 -0.572 -5.079 418 HB3 TRP 53 2HB TRP 53 8.412 -1.034 -4.780 419 HD1 TRP 53 HD1 TRP 53 6.123 2.022 -4.774 420 HE1 TRP 53 HE1 TRP 53 7.378 4.007 -3.805 421 HE3 TRP 53 HE3 TRP 53 10.640 -0.161 -4.280 422 HZ2 TRP 53 HZ2 TRP 53 10.009 4.542 -2.899 423 HZ3 TRP 53 HZ3 TRP 53 12.520 1.092 -3.263 424 HH2 TRP 53 HH2 TRP 53 12.215 3.486 -2.662 425 H ASP 54 H ASP 54 7.177 -1.224 -9.029 426 HA ASP 54 HA ASP 54 6.553 -3.336 -9.659 427 HB2 ASP 54 1HB ASP 54 8.653 -4.579 -10.327 428 HB3 ASP 54 2HB ASP 54 8.012 -3.108 -11.133 429 H LEU 55 H LEU 55 6.030 -3.414 -7.061 430 HA LEU 55 HA LEU 55 7.356 -5.348 -5.350 431 HB2 LEU 55 1HB LEU 55 5.574 -3.206 -5.215 432 HB3 LEU 55 2HB LEU 55 4.705 -4.660 -4.620 433 HG LEU 55 HG LEU 55 6.457 -5.054 -2.982 434 HD11 LEU 55 1HD1 LEU 55 8.242 -3.434 -2.559 435 HD12 LEU 55 2HD1 LEU 55 8.407 -4.174 -4.169 436 HD13 LEU 55 3HD1 LEU 55 7.768 -2.520 -4.012 437 HD21 LEU 55 3HD2 LEU 55 4.555 -3.563 -2.413 438 HD22 LEU 55 1HD2 LEU 55 6.036 -3.034 -1.583 439 HD23 LEU 55 2HD2 LEU 55 5.466 -2.162 -3.025 440 HA PRO 56 HA PRO 56 5.558 -8.920 -7.504 441 HB2 PRO 56 1HB PRO 56 6.796 -10.799 -6.021 442 HB3 PRO 56 2HB PRO 56 7.621 -9.935 -7.316 443 HG2 PRO 56 1HG PRO 56 7.686 -9.354 -4.314 444 HG3 PRO 56 2HG PRO 56 9.045 -9.451 -5.430 445 HD2 PRO 56 1HD PRO 56 7.890 -6.984 -4.791 446 HD3 PRO 56 2HD PRO 56 8.444 -7.304 -6.505 447 H VAL 57 H VAL 57 4.125 -10.474 -7.110 448 HA VAL 57 HA VAL 57 2.028 -11.018 -6.529 449 HB VAL 57 HB VAL 57 3.514 -12.452 -5.296 450 HG11 VAL 57 1HG1 VAL 57 3.409 -12.457 -2.848 451 HG12 VAL 57 2HG1 VAL 57 4.265 -11.016 -3.450 452 HG13 VAL 57 3HG1 VAL 57 2.587 -10.879 -2.868 453 HG21 VAL 57 3HG2 VAL 57 1.324 -13.036 -5.813 454 HG22 VAL 57 1HG2 VAL 57 1.719 -13.565 -4.160 455 HG23 VAL 57 2HG2 VAL 57 0.689 -12.137 -4.415 456 H ASP 58 H ASP 58 2.631 -8.028 -6.207 457 HA ASP 58 HA ASP 58 1.605 -6.074 -5.475 458 HB2 ASP 58 1HB ASP 58 -0.679 -5.953 -5.297 459 HB3 ASP 58 2HB ASP 58 -0.071 -6.701 -6.814 460 H TYR 59 H TYR 59 3.155 -7.286 -3.643 461 HA TYR 59 HA TYR 59 2.761 -7.974 -1.166 462 HB2 TYR 59 1HB TYR 59 4.893 -7.043 -1.873 463 HB3 TYR 59 2HB TYR 59 4.264 -5.428 -1.877 464 HD1 TYR 59 HD1 TYR 59 5.223 -8.273 0.257 465 HD2 TYR 59 HD2 TYR 59 3.929 -4.180 0.130 466 HE1 TYR 59 HE1 TYR 59 5.597 -8.085 2.684 467 HE2 TYR 59 HE2 TYR 59 4.331 -3.970 2.558 468 HH TYR 59 HH TYR 59 5.667 -6.706 4.454 469 HA PRO 60 HA PRO 60 -0.867 -5.973 0.497 470 HB2 PRO 60 1HB PRO 60 -0.783 -6.969 3.003 471 HB3 PRO 60 2HB PRO 60 -1.241 -7.970 1.626 472 HG2 PRO 60 1HG PRO 60 1.490 -7.766 2.991 473 HG3 PRO 60 2HG PRO 60 0.610 -9.223 2.535 474 HD2 PRO 60 1HD PRO 60 2.572 -8.127 0.856 475 HD3 PRO 60 2HD PRO 60 1.067 -8.875 0.137 476 H MET 61 H MET 61 -1.289 -4.085 1.242 477 HA MET 61 HA MET 61 0.715 -2.419 2.408 478 HB2 MET 61 1HB MET 61 -2.254 -1.908 1.884 479 HB3 MET 61 2HB MET 61 -1.101 -0.688 2.314 480 HG2 MET 61 1HG MET 61 -0.823 -2.452 -0.093 481 HG3 MET 61 2HG MET 61 -1.641 -0.849 -0.056 482 HE1 MET 61 3HE MET 61 1.658 -2.765 -0.593 483 HE2 MET 61 1HE MET 61 2.912 -1.601 -0.103 484 HE3 MET 61 2HE MET 61 1.891 -2.379 1.129 485 H VAL 62 H VAL 62 -0.795 -4.787 4.116 486 HA VAL 62 HA VAL 62 -1.503 -3.070 6.388 487 HB VAL 62 HB VAL 62 -3.108 -5.580 5.836 488 HG11 VAL 62 1HG1 VAL 62 -4.714 -4.429 7.319 489 HG12 VAL 62 2HG1 VAL 62 -3.129 -4.598 8.111 490 HG13 VAL 62 3HG1 VAL 62 -3.620 -3.029 7.428 491 HG21 VAL 62 3HG2 VAL 62 -3.525 -4.253 3.869 492 HG22 VAL 62 1HG2 VAL 62 -4.940 -4.307 4.947 493 HG23 VAL 62 2HG2 VAL 62 -3.924 -2.847 4.885 494 H ALA 63 H ALA 63 -0.942 -4.058 8.369 495 HA ALA 63 HA ALA 63 1.223 -5.238 9.000 496 HB1 ALA 63 3HB ALA 63 -1.445 -6.012 10.224 497 HB2 ALA 63 1HB ALA 63 0.143 -6.203 11.006 498 HB3 ALA 63 2HB ALA 63 -0.468 -4.576 10.615 499 HA PRO 64 HA PRO 64 2.296 -8.877 7.055 500 HB2 PRO 64 1HB PRO 64 3.281 -10.437 9.073 501 HB3 PRO 64 2HB PRO 64 4.162 -9.155 8.118 502 HG2 PRO 64 1HG PRO 64 2.856 -8.928 10.900 503 HG3 PRO 64 2HG PRO 64 4.414 -8.279 10.398 504 HD2 PRO 64 1HD PRO 64 2.271 -6.632 10.393 505 HD3 PRO 64 2HD PRO 64 3.397 -6.551 9.038 506 H ALA 65 H ALA 65 0.704 -9.841 10.183 507 HA ALA 65 HA ALA 65 -1.055 -11.702 8.607 508 HB1 ALA 65 3HB ALA 65 0.184 -12.128 11.300 509 HB2 ALA 65 1HB ALA 65 -0.998 -13.177 10.482 510 HB3 ALA 65 2HB ALA 65 0.619 -12.939 9.778 511 H TYR 66 H TYR 66 -1.804 -9.060 8.858 512 HA TYR 66 HA TYR 66 -3.425 -8.281 11.110 513 HB2 TYR 66 1HB TYR 66 -2.869 -6.734 9.508 514 HB3 TYR 66 2HB TYR 66 -3.654 -7.687 8.206 515 HD1 TYR 66 HD1 TYR 66 -4.414 -5.789 11.377 516 HD2 TYR 66 HD2 TYR 66 -5.875 -7.347 7.649 517 HE1 TYR 66 HE1 TYR 66 -6.576 -4.679 11.765 518 HE2 TYR 66 HE2 TYR 66 -8.060 -6.284 8.053 519 HH TYR 66 HH TYR 66 -8.669 -4.343 10.993 520 H ALA 67 H ALA 67 -4.831 -9.618 8.131 521 HA ALA 67 HA ALA 67 -6.457 -11.696 9.306 522 HB1 ALA 67 3HB ALA 67 -7.879 -9.117 8.673 523 HB2 ALA 67 1HB ALA 67 -8.628 -10.690 9.034 524 HB3 ALA 67 2HB ALA 67 -7.674 -9.852 10.281 525 H GLU 68 H GLU 68 -4.721 -11.888 7.221 526 HA GLU 68 HA GLU 68 -6.064 -12.590 4.871 527 HB2 GLU 68 1HB GLU 68 -5.258 -9.712 4.907 528 HB3 GLU 68 2HB GLU 68 -4.823 -10.626 3.481 529 HG2 GLU 68 1HG GLU 68 -7.176 -11.298 3.153 530 HG3 GLU 68 2HG GLU 68 -7.639 -10.474 4.633 531 H ALA 69 H ALA 69 -4.182 -12.434 2.950 532 HA ALA 69 HA ALA 69 -2.370 -13.504 2.156 533 HB1 ALA 69 3HB ALA 69 -1.077 -11.947 4.366 534 HB2 ALA 69 1HB ALA 69 -0.240 -12.704 2.991 535 HB3 ALA 69 2HB ALA 69 -1.428 -11.411 2.707 536 H ARG 70 H ARG 70 -3.830 -15.290 3.569 537 HA ARG 70 HA ARG 70 -2.421 -16.694 5.715 538 HB2 ARG 70 1HB ARG 70 -4.846 -15.958 5.436 539 HB3 ARG 70 2HB ARG 70 -4.976 -17.328 4.281 540 HG2 ARG 70 1HG ARG 70 -4.853 -18.885 5.893 541 HG3 ARG 70 2HG ARG 70 -3.875 -17.839 6.987 542 HD2 ARG 70 1HD ARG 70 -5.804 -16.814 7.892 543 HD3 ARG 70 2HD ARG 70 -6.620 -16.780 6.345 544 HE ARG 70 HE ARG 70 -6.756 -18.816 8.375 545 HH11 ARG 70 1HH1 ARG 70 -7.260 -18.304 4.927 546 HH12 ARG 70 2HH1 ARG 70 -8.575 -19.431 4.835 547 HH21 ARG 70 1HH2 ARG 70 -8.439 -20.343 8.171 548 HH22 ARG 70 2HH2 ARG 70 -9.185 -20.587 6.629 549 H SER 71 H SER 71 -0.699 -16.814 3.803 550 HA SER 71 HA SER 71 0.638 -18.033 2.365 551 HB2 SER 71 1HB SER 71 0.515 -19.575 4.296 552 HB3 SER 71 2HB SER 71 -0.655 -20.510 3.320 553 HG SER 71 HG SER 71 1.518 -21.228 2.901 554 H ARG 72 H ARG 72 0.478 -17.854 0.318 555 HA ARG 72 HA ARG 72 -0.344 -17.753 -1.867 556 HB2 ARG 72 1HB ARG 72 0.202 -20.154 -1.187 557 HB3 ARG 72 2HB ARG 72 -1.565 -20.375 -1.395 558 HG2 ARG 72 1HG ARG 72 -0.193 -18.939 -3.632 559 HG3 ARG 72 2HG ARG 72 0.248 -20.617 -3.454 560 HD2 ARG 72 1HD ARG 72 -2.105 -21.290 -3.595 561 HD3 ARG 72 2HD ARG 72 -2.600 -19.597 -3.686 562 HE ARG 72 HE ARG 72 -1.539 -21.219 -5.774 563 HH11 ARG 72 1HH1 ARG 72 -2.007 -17.872 -4.820 564 HH12 ARG 72 2HH1 ARG 72 -1.610 -17.246 -6.389 565 HH21 ARG 72 1HH2 ARG 72 -1.163 -20.364 -7.836 566 HH22 ARG 72 2HH2 ARG 72 -1.166 -18.650 -8.071 567 H LEU 73 H LEU 73 -1.917 -16.172 -0.232 568 HA LEU 73 HA LEU 73 -4.739 -16.544 -0.473 569 HB2 LEU 73 1HB LEU 73 -3.497 -14.864 1.062 570 HB3 LEU 73 2HB LEU 73 -3.175 -13.899 -0.338 571 HG LEU 73 HG LEU 73 -5.811 -14.068 -0.670 572 HD11 LEU 73 1HD1 LEU 73 -6.985 -14.101 1.423 573 HD12 LEU 73 2HD1 LEU 73 -6.219 -15.665 1.058 574 HD13 LEU 73 3HD1 LEU 73 -5.495 -14.580 2.268 575 HD21 LEU 73 3HD2 LEU 73 -4.475 -12.015 -0.354 576 HD22 LEU 73 1HD2 LEU 73 -5.972 -11.985 0.610 577 HD23 LEU 73 2HD2 LEU 73 -4.412 -12.331 1.397 578 H ALA 74 H ALA 74 -6.173 -16.116 -2.044 579 HA ALA 74 HA ALA 74 -5.598 -15.695 -4.783 580 HB1 ALA 74 3HB ALA 74 -8.114 -15.161 -3.226 581 HB2 ALA 74 1HB ALA 74 -7.954 -15.318 -4.992 582 HB3 ALA 74 2HB ALA 74 -7.617 -16.713 -3.940 583 H LYS 75 H LYS 75 -4.270 -14.055 -5.319 584 HA LYS 75 HA LYS 75 -4.495 -11.299 -4.578 585 HB2 LYS 75 1HB LYS 75 -3.000 -10.800 -6.168 586 HB3 LYS 75 2HB LYS 75 -2.513 -12.317 -5.339 587 HG2 LYS 75 1HG LYS 75 -3.154 -13.615 -7.320 588 HG3 LYS 75 2HG LYS 75 -3.726 -12.160 -8.129 589 HD2 LYS 75 1HD LYS 75 -1.259 -11.279 -7.691 590 HD3 LYS 75 2HD LYS 75 -0.884 -12.984 -7.515 591 HE2 LYS 75 1HE LYS 75 -0.523 -12.524 -9.809 592 HE3 LYS 75 2HE LYS 75 -2.096 -13.310 -9.792 593 HZ1 LYS 75 3HZ LYS 75 -1.563 -10.460 -9.969 594 HZ2 LYS 75 1HZ LYS 75 -2.206 -11.428 -11.112 595 HZ3 LYS 75 2HZ LYS 75 -3.056 -11.083 -9.759 596 H GLU 76 H GLU 76 -6.728 -10.870 -4.601 597 HA GLU 76 HA GLU 76 -7.454 -9.392 -7.100 598 HB2 GLU 76 1HB GLU 76 -8.605 -11.916 -6.364 599 HB3 GLU 76 2HB GLU 76 -9.806 -10.667 -6.114 600 HG2 GLU 76 1HG GLU 76 -9.402 -9.829 -8.415 601 HG3 GLU 76 2HG GLU 76 -8.227 -11.130 -8.662 602 H MET 77 H MET 77 -6.523 -7.878 -5.345 603 HA MET 77 HA MET 77 -6.647 -6.356 -3.704 604 HB2 MET 77 1HB MET 77 -8.198 -4.647 -4.142 605 HB3 MET 77 2HB MET 77 -7.505 -5.336 -5.647 606 HG2 MET 77 1HG MET 77 -9.669 -6.531 -6.070 607 HG3 MET 77 2HG MET 77 -10.339 -5.892 -4.606 608 HE1 MET 77 3HE MET 77 -12.382 -5.082 -5.852 609 HE2 MET 77 1HE MET 77 -12.336 -4.079 -7.321 610 HE3 MET 77 2HE MET 77 -11.701 -5.742 -7.358 611 H GLY 78 H GLY 78 -7.896 -8.901 -2.564 612 HA2 GLY 78 1HA GLY 78 -9.337 -9.670 -0.965 613 HA3 GLY 78 2HA GLY 78 -9.194 -8.095 -0.211 614 H LEU 79 H LEU 79 -10.886 -9.721 -2.965 615 HA LEU 79 HA LEU 79 -13.086 -7.980 -3.232 616 HB2 LEU 79 1HB LEU 79 -14.151 -9.630 -4.408 617 HB3 LEU 79 2HB LEU 79 -12.419 -9.511 -4.873 618 HG LEU 79 HG LEU 79 -12.457 -11.570 -3.004 619 HD11 LEU 79 1HD1 LEU 79 -14.216 -13.086 -3.724 620 HD12 LEU 79 2HD1 LEU 79 -14.887 -11.616 -2.980 621 HD13 LEU 79 3HD1 LEU 79 -14.915 -11.810 -4.748 622 HD21 LEU 79 3HD2 LEU 79 -11.181 -11.470 -5.119 623 HD22 LEU 79 1HD2 LEU 79 -12.076 -13.000 -4.966 624 HD23 LEU 79 2HD2 LEU 79 -12.687 -11.715 -6.035 625 H GLY 80 H GLY 80 -14.061 -7.203 -1.476 626 HA2 GLY 80 1HA GLY 80 -14.851 -8.287 0.814 627 HA3 GLY 80 2HA GLY 80 -15.833 -7.085 -0.087 628 H GLN 81 H GLN 81 -17.211 -8.198 -1.926 629 HA GLN 81 HA GLN 81 -18.283 -10.817 -1.238 630 HB2 GLN 81 1HB GLN 81 -19.415 -8.896 0.239 631 HB3 GLN 81 2HB GLN 81 -20.257 -8.508 -1.249 632 HG2 GLN 81 1HG GLN 81 -21.178 -10.782 -1.375 633 HG3 GLN 81 2HG GLN 81 -20.242 -11.275 0.028 634 HE21 GLN 81 1HE2 GLN 81 -20.753 -10.329 2.119 635 HE22 GLN 81 2HE2 GLN 81 -22.376 -9.724 2.349 636 H ARG 82 H ARG 82 -19.770 -11.565 -2.942 637 HA ARG 82 HA ARG 82 -18.916 -10.751 -5.596 638 HB2 ARG 82 1HB ARG 82 -19.413 -13.138 -4.818 639 HB3 ARG 82 2HB ARG 82 -21.115 -12.708 -4.883 640 HG2 ARG 82 1HG ARG 82 -20.836 -12.027 -7.248 641 HG3 ARG 82 2HG ARG 82 -19.132 -12.572 -7.163 642 HD2 ARG 82 1HD ARG 82 -21.514 -14.431 -6.671 643 HD3 ARG 82 2HD ARG 82 -20.729 -14.271 -8.219 644 HE ARG 82 HE ARG 82 -18.877 -14.853 -6.116 645 HH11 ARG 82 1HH1 ARG 82 -21.042 -16.268 -8.497 646 HH12 ARG 82 2HH1 ARG 82 -20.328 -17.845 -8.389 647 HH21 ARG 82 1HH2 ARG 82 -17.956 -16.958 -6.028 648 HH22 ARG 82 2HH2 ARG 82 -18.623 -18.211 -7.018 649 H ARG 83 H ARG 83 -19.813 -9.384 -6.900 650 HA ARG 83 HA ARG 83 -22.454 -8.172 -6.322 651 HB2 ARG 83 1HB ARG 83 -19.816 -7.164 -7.092 652 HB3 ARG 83 2HB ARG 83 -21.075 -6.687 -8.275 653 HG2 ARG 83 1HG ARG 83 -21.436 -6.176 -5.290 654 HG3 ARG 83 2HG ARG 83 -20.599 -5.035 -6.309 655 HD2 ARG 83 1HD ARG 83 -22.664 -5.112 -7.822 656 HD3 ARG 83 2HD ARG 83 -23.460 -5.918 -6.440 657 HE ARG 83 HE ARG 83 -22.144 -3.751 -5.354 658 HH11 ARG 83 1HH1 ARG 83 -24.906 -4.130 -7.518 659 HH12 ARG 83 2HH1 ARG 83 -25.476 -2.519 -7.229 660 HH21 ARG 83 1HH2 ARG 83 -22.964 -1.663 -5.019 661 HH22 ARG 83 2HH2 ARG 83 -24.415 -1.177 -5.824 662 H LYS 84 H LYS 84 -23.856 -7.881 -8.083 663 HA LYS 84 HA LYS 84 -25.104 -8.511 -9.920 664 HB2 LYS 84 1HB LYS 84 -24.317 -8.215 -11.908 665 HB3 LYS 84 2HB LYS 84 -23.230 -7.218 -10.878 666 HG2 LYS 84 1HG LYS 84 -21.697 -9.466 -11.119 667 HG3 LYS 84 2HG LYS 84 -22.562 -9.575 -12.619 668 HD2 LYS 84 1HD LYS 84 -20.722 -8.348 -13.208 669 HD3 LYS 84 2HD LYS 84 -21.885 -7.056 -12.913 670 HE2 LYS 84 1HE LYS 84 -20.968 -6.739 -10.623 671 HE3 LYS 84 2HE LYS 84 -19.827 -8.051 -10.886 672 HZ1 LYS 84 3HZ LYS 84 -19.951 -5.518 -12.296 673 HZ2 LYS 84 1HZ LYS 84 -18.779 -6.065 -11.302 674 HZ3 LYS 84 2HZ LYS 84 -19.001 -6.764 -12.765 675 H ALA 85 H ALA 85 -24.768 -10.373 -11.920 676 HA ALA 85 HA ALA 85 -25.016 -12.494 -12.539 677 HB1 ALA 85 3HB ALA 85 -23.193 -13.172 -10.275 678 HB2 ALA 85 1HB ALA 85 -23.742 -14.282 -11.554 679 HB3 ALA 85 2HB ALA 85 -22.772 -12.850 -11.974 680 H ASN 86 H ASN 86 -25.282 -12.517 -8.938 681 HA ASN 86 HA ASN 86 -27.387 -14.434 -8.683 682 HB2 ASN 86 1HB ASN 86 -26.361 -12.149 -6.938 683 HB3 ASN 86 2HB ASN 86 -27.684 -13.176 -6.442 684 HD21 ASN 86 1HD2 ASN 86 -27.213 -14.965 -5.350 685 HD22 ASN 86 2HD2 ASN 86 -25.632 -15.705 -5.360 686 H ARG 87 H ARG 87 -29.480 -14.366 -8.963 687 HA ARG 87 HA ARG 87 -30.875 -11.761 -9.517 688 HB2 ARG 87 1HB ARG 87 -30.692 -13.663 -11.278 689 HB3 ARG 87 2HB ARG 87 -31.877 -14.494 -10.279 690 HG2 ARG 87 1HG ARG 87 -33.502 -12.697 -10.574 691 HG3 ARG 87 2HG ARG 87 -32.316 -11.636 -11.279 692 HD2 ARG 87 1HD ARG 87 -33.259 -12.373 -13.223 693 HD3 ARG 87 2HD ARG 87 -32.155 -13.710 -13.052 694 HE ARG 87 HE ARG 87 -34.385 -14.448 -11.627 695 HH11 ARG 87 1HH1 ARG 87 -33.759 -13.487 -14.957 696 HH12 ARG 87 2HH1 ARG 87 -35.038 -14.461 -15.605 697 HH21 ARG 87 1HH2 ARG 87 -36.112 -15.669 -12.546 698 HH22 ARG 87 2HH2 ARG 87 -36.318 -15.669 -14.264 Start of MODEL 12 1 H1 ALA 1 1H ALA 1 11.957 9.942 8.164 2 HA ALA 1 HA ALA 1 14.083 8.848 9.692 3 HB1 ALA 1 3HB ALA 1 14.072 7.873 6.854 4 HB2 ALA 1 1HB ALA 1 15.441 7.772 7.986 5 HB3 ALA 1 2HB ALA 1 13.925 6.910 8.343 6 H VAL 2 H VAL 2 14.297 9.912 6.258 7 HA VAL 2 HA VAL 2 14.876 12.756 6.878 8 HB VAL 2 HB VAL 2 16.828 11.825 7.835 9 HG11 VAL 2 1HG1 VAL 2 18.683 11.098 6.407 10 HG12 VAL 2 2HG1 VAL 2 17.335 9.938 6.347 11 HG13 VAL 2 3HG1 VAL 2 17.598 11.067 4.997 12 HG21 VAL 2 3HG2 VAL 2 16.700 14.060 7.294 13 HG22 VAL 2 1HG2 VAL 2 18.322 13.430 6.913 14 HG23 VAL 2 2HG2 VAL 2 17.157 13.744 5.604 15 H ASN 3 H ASN 3 12.979 11.691 5.293 16 HA ASN 3 HA ASN 3 13.862 11.587 2.481 17 HB2 ASN 3 1HB ASN 3 11.515 11.281 1.970 18 HB3 ASN 3 2HB ASN 3 12.171 10.116 3.166 19 HD21 ASN 3 1HD2 ASN 3 9.411 11.377 2.401 20 HD22 ASN 3 2HD2 ASN 3 8.708 11.688 4.011 21 H VAL 4 H VAL 4 14.583 14.005 3.699 22 HA VAL 4 HA VAL 4 12.816 16.218 3.353 23 HB VAL 4 HB VAL 4 14.644 16.244 4.846 24 HG11 VAL 4 1HG1 VAL 4 16.960 16.628 4.129 25 HG12 VAL 4 2HG1 VAL 4 16.382 15.030 3.599 26 HG13 VAL 4 3HG1 VAL 4 16.488 16.371 2.433 27 HG21 VAL 4 3HG2 VAL 4 13.703 18.304 4.238 28 HG22 VAL 4 1HG2 VAL 4 15.461 18.471 4.460 29 HG23 VAL 4 2HG2 VAL 4 14.771 18.433 2.820 30 H GLU 5 H GLU 5 15.243 14.884 1.141 31 HA GLU 5 HA GLU 5 13.876 15.869 -1.272 32 HB2 GLU 5 1HB GLU 5 15.786 17.127 -2.167 33 HB3 GLU 5 2HB GLU 5 14.817 17.934 -0.891 34 HG2 GLU 5 1HG GLU 5 16.592 17.687 0.720 35 HG3 GLU 5 2HG GLU 5 17.470 16.555 -0.289 36 H LYS 6 H LYS 6 13.845 13.598 -1.364 37 HA LYS 6 HA LYS 6 15.883 12.393 -3.056 38 HB2 LYS 6 1HB LYS 6 16.600 12.211 -0.327 39 HB3 LYS 6 2HB LYS 6 16.076 10.618 -0.837 40 HG2 LYS 6 1HG LYS 6 17.593 10.792 -2.828 41 HG3 LYS 6 2HG LYS 6 18.168 12.343 -2.211 42 HD2 LYS 6 1HD LYS 6 18.969 11.224 -0.121 43 HD3 LYS 6 2HD LYS 6 18.357 9.689 -0.684 44 HE2 LYS 6 1HE LYS 6 20.535 9.453 -1.406 45 HE3 LYS 6 2HE LYS 6 19.970 10.305 -2.808 46 HZ1 LYS 6 3HZ LYS 6 21.261 11.508 -0.483 47 HZ2 LYS 6 1HZ LYS 6 21.939 11.192 -1.988 48 HZ3 LYS 6 2HZ LYS 6 20.714 12.334 -1.841 49 H GLN 7 H GLN 7 14.300 10.552 -0.514 50 HA GLN 7 HA GLN 7 11.825 9.689 -1.714 51 HB2 GLN 7 1HB GLN 7 12.367 7.612 -2.739 52 HB3 GLN 7 2HB GLN 7 12.887 9.054 -3.669 53 HG2 GLN 7 1HG GLN 7 15.248 8.570 -2.599 54 HG3 GLN 7 2HG GLN 7 14.610 6.972 -2.281 55 HE21 GLN 7 1HE2 GLN 7 14.345 5.499 -3.951 56 HE22 GLN 7 2HE2 GLN 7 14.952 5.846 -5.593 57 H LYS 8 H LYS 8 14.779 8.502 -0.182 58 HA LYS 8 HA LYS 8 15.206 7.013 1.576 59 HB2 LYS 8 1HB LYS 8 13.450 8.639 2.611 60 HB3 LYS 8 2HB LYS 8 12.553 7.094 2.738 61 HG2 LYS 8 1HG LYS 8 13.701 7.246 4.753 62 HG3 LYS 8 2HG LYS 8 14.723 6.163 3.757 63 HD2 LYS 8 1HD LYS 8 15.283 9.113 3.856 64 HD3 LYS 8 2HD LYS 8 15.822 8.041 5.186 65 HE2 LYS 8 1HE LYS 8 17.127 6.698 3.540 66 HE3 LYS 8 2HE LYS 8 16.611 7.771 2.247 67 HZ1 LYS 8 3HZ LYS 8 18.162 8.552 4.614 68 HZ2 LYS 8 1HZ LYS 8 18.748 8.330 3.053 69 HZ3 LYS 8 2HZ LYS 8 17.669 9.579 3.377 70 HA PRO 9 HA PRO 9 13.300 3.462 -0.675 71 HB2 PRO 9 1HB PRO 9 15.595 2.228 -1.379 72 HB3 PRO 9 2HB PRO 9 14.943 3.566 -2.323 73 HG2 PRO 9 1HG PRO 9 17.160 3.629 -0.225 74 HG3 PRO 9 2HG PRO 9 17.132 4.404 -1.808 75 HD2 PRO 9 1HD PRO 9 16.416 5.768 0.549 76 HD3 PRO 9 2HD PRO 9 15.648 6.167 -1.052 77 H ALA 10 H ALA 10 12.382 2.359 0.798 78 HA ALA 10 HA ALA 10 13.617 1.320 3.290 79 HB1 ALA 10 3HB ALA 10 10.964 0.875 1.948 80 HB2 ALA 10 1HB ALA 10 11.415 0.414 3.606 81 HB3 ALA 10 2HB ALA 10 11.355 2.132 3.145 82 H VAL 11 H VAL 11 15.259 0.504 1.382 83 HA VAL 11 HA VAL 11 16.386 -1.275 0.430 84 HB VAL 11 HB VAL 11 15.078 -3.167 2.385 85 HG11 VAL 11 1HG1 VAL 11 17.259 -4.190 2.359 86 HG12 VAL 11 2HG1 VAL 11 16.593 -4.135 0.709 87 HG13 VAL 11 3HG1 VAL 11 17.854 -2.978 1.201 88 HG21 VAL 11 3HG2 VAL 11 15.690 -1.199 3.671 89 HG22 VAL 11 1HG2 VAL 11 16.751 -2.593 3.987 90 HG23 VAL 11 2HG2 VAL 11 17.323 -1.252 2.966 91 H SER 12 H SER 12 15.856 -3.765 -0.398 92 HA SER 12 HA SER 12 13.646 -3.629 -2.357 93 HB2 SER 12 1HB SER 12 15.793 -4.759 -2.931 94 HB3 SER 12 2HB SER 12 15.586 -5.879 -1.589 95 HG SER 12 HG SER 12 13.503 -5.626 -3.565 96 H VAL 13 H VAL 13 11.783 -4.545 -2.317 97 HA VAL 13 HA VAL 13 9.916 -5.199 -0.753 98 HB VAL 13 HB VAL 13 9.627 -5.778 -2.983 99 HG11 VAL 13 1HG1 VAL 13 10.394 -7.808 -3.972 100 HG12 VAL 13 2HG1 VAL 13 11.788 -6.819 -3.478 101 HG13 VAL 13 3HG1 VAL 13 11.309 -8.231 -2.506 102 HG21 VAL 13 3HG2 VAL 13 8.014 -6.546 -1.472 103 HG22 VAL 13 1HG2 VAL 13 8.270 -7.665 -2.832 104 HG23 VAL 13 2HG2 VAL 13 8.927 -8.053 -1.224 105 H ARG 14 H ARG 14 11.782 -8.208 -1.073 106 HA ARG 14 HA ARG 14 11.580 -10.065 0.400 107 HB2 ARG 14 1HB ARG 14 13.744 -9.421 -0.005 108 HB3 ARG 14 2HB ARG 14 13.707 -8.205 1.314 109 HG2 ARG 14 1HG ARG 14 13.807 -9.897 2.998 110 HG3 ARG 14 2HG ARG 14 13.350 -11.170 1.890 111 HD2 ARG 14 1HD ARG 14 15.835 -9.659 1.278 112 HD3 ARG 14 2HD ARG 14 15.826 -10.788 2.668 113 HE ARG 14 HE ARG 14 14.554 -12.117 0.514 114 HH11 ARG 14 1HH1 ARG 14 17.842 -10.754 0.890 115 HH12 ARG 14 2HH1 ARG 14 18.572 -12.089 -0.041 116 HH21 ARG 14 1HH2 ARG 14 15.539 -13.728 -0.662 117 HH22 ARG 14 2HH2 ARG 14 17.308 -13.719 -0.895 118 H LYS 15 H LYS 15 12.486 -7.947 3.088 119 HA LYS 15 HA LYS 15 10.079 -8.916 4.674 120 HB2 LYS 15 1HB LYS 15 12.875 -8.488 5.303 121 HB3 LYS 15 2HB LYS 15 11.704 -7.797 6.474 122 HG2 LYS 15 1HG LYS 15 11.945 -9.871 7.358 123 HG3 LYS 15 2HG LYS 15 10.607 -10.196 6.210 124 HD2 LYS 15 1HD LYS 15 13.399 -10.679 5.175 125 HD3 LYS 15 2HD LYS 15 12.822 -11.802 6.352 126 HE2 LYS 15 1HE LYS 15 10.866 -12.294 4.979 127 HE3 LYS 15 2HE LYS 15 11.417 -11.110 3.778 128 HZ1 LYS 15 3HZ LYS 15 12.926 -13.476 4.691 129 HZ2 LYS 15 1HZ LYS 15 12.113 -13.322 3.227 130 HZ3 LYS 15 2HZ LYS 15 13.449 -12.353 3.553 131 H SER 16 H SER 16 9.281 -7.161 2.975 132 HA SER 16 HA SER 16 9.176 -4.373 3.663 133 HB2 SER 16 1HB SER 16 8.274 -5.328 1.549 134 HB3 SER 16 2HB SER 16 7.052 -6.200 2.426 135 HG SER 16 HG SER 16 7.354 -3.325 2.414 136 H VAL 17 H VAL 17 7.243 -7.116 4.786 137 HA VAL 17 HA VAL 17 6.092 -5.696 7.111 138 HB VAL 17 HB VAL 17 5.907 -8.261 5.741 139 HG11 VAL 17 1HG1 VAL 17 4.886 -9.493 7.583 140 HG12 VAL 17 2HG1 VAL 17 6.615 -9.203 7.885 141 HG13 VAL 17 3HG1 VAL 17 5.389 -8.227 8.727 142 HG21 VAL 17 3HG2 VAL 17 4.270 -6.490 5.554 143 HG22 VAL 17 1HG2 VAL 17 3.539 -7.899 6.359 144 HG23 VAL 17 2HG2 VAL 17 4.027 -6.481 7.317 145 H GLN 18 H GLN 18 6.892 -5.409 8.961 146 HA GLN 18 HA GLN 18 9.288 -6.981 9.894 147 HB2 GLN 18 1HB GLN 18 8.838 -4.065 10.689 148 HB3 GLN 18 2HB GLN 18 10.300 -4.985 10.787 149 HG2 GLN 18 1HG GLN 18 10.301 -5.105 8.282 150 HG3 GLN 18 2HG GLN 18 8.956 -3.917 8.338 151 HE21 GLN 18 1HE2 GLN 18 12.286 -4.469 8.326 152 HE22 GLN 18 2HE2 GLN 18 12.773 -2.754 8.399 153 H ASP 19 H ASP 19 9.092 -5.735 12.619 154 HA ASP 19 HA ASP 19 7.137 -7.517 13.811 155 HB2 ASP 19 1HB ASP 19 8.855 -5.336 15.033 156 HB3 ASP 19 2HB ASP 19 7.778 -6.329 15.971 157 H ASP 20 H ASP 20 5.168 -7.010 12.826 158 HA ASP 20 HA ASP 20 3.144 -5.982 12.467 159 HB2 ASP 20 1HB ASP 20 3.536 -5.347 15.316 160 HB3 ASP 20 2HB ASP 20 2.119 -4.768 14.427 161 H HIS 21 H HIS 21 5.523 -4.491 11.664 162 HA HIS 21 HA HIS 21 4.115 -1.934 10.986 163 HB2 HIS 21 1HB HIS 21 6.144 -0.632 11.223 164 HB3 HIS 21 2HB HIS 21 5.429 -1.213 12.768 165 HD2 HIS 21 HD2 HIS 21 8.616 -1.349 10.703 166 HE1 HIS 21 HE1 HIS 21 9.465 -3.111 14.441 167 HE2 HIS 21 HE2 HIS 21 10.484 -2.177 12.267 168 H ILE 22 H ILE 22 3.957 -1.867 8.943 169 HA ILE 22 HA ILE 22 5.942 -3.165 7.143 170 HB ILE 22 HB ILE 22 3.656 -3.700 6.568 171 HG12 ILE 22 1HG1 ILE 22 4.627 -1.833 4.499 172 HG13 ILE 22 2HG1 ILE 22 5.446 -3.379 4.889 173 HG21 ILE 22 1HG2 ILE 22 2.047 -2.068 5.871 174 HG22 ILE 22 2HG2 ILE 22 2.505 -1.775 7.565 175 HG23 ILE 22 3HG2 ILE 22 3.158 -0.737 6.275 176 HD11 ILE 22 3HD1 ILE 22 2.557 -3.060 4.007 177 HD12 ILE 22 1HD1 ILE 22 3.906 -3.632 2.997 178 HD13 ILE 22 2HD1 ILE 22 3.369 -4.595 4.393 179 H VAL 23 H VAL 23 7.366 -2.081 6.000 180 HA VAL 23 HA VAL 23 8.052 0.707 6.811 181 HB VAL 23 HB VAL 23 9.594 -1.134 6.878 182 HG11 VAL 23 1HG1 VAL 23 10.782 -1.812 4.842 183 HG12 VAL 23 2HG1 VAL 23 9.083 -2.340 4.799 184 HG13 VAL 23 3HG1 VAL 23 9.602 -0.928 3.846 185 HG21 VAL 23 3HG2 VAL 23 10.285 1.050 7.120 186 HG22 VAL 23 1HG2 VAL 23 11.460 0.146 6.136 187 HG23 VAL 23 2HG2 VAL 23 10.346 1.295 5.358 188 H CYS 24 H CYS 24 7.782 2.513 5.812 189 HA CYS 24 HA CYS 24 6.022 2.535 3.487 190 HB2 CYS 24 1HB CYS 24 5.777 4.144 5.347 191 HB3 CYS 24 2HB CYS 24 7.312 4.894 4.871 192 H LEU 25 H LEU 25 7.234 1.608 1.790 193 HA LEU 25 HA LEU 25 9.703 2.560 0.742 194 HB2 LEU 25 1HB LEU 25 7.208 1.552 -0.545 195 HB3 LEU 25 2HB LEU 25 8.579 2.184 -1.532 196 HG LEU 25 HG LEU 25 8.601 -0.292 -1.413 197 HD11 LEU 25 1HD1 LEU 25 10.883 -0.603 -0.661 198 HD12 LEU 25 2HD1 LEU 25 10.745 0.902 -1.601 199 HD13 LEU 25 3HD1 LEU 25 10.852 0.969 0.174 200 HD21 LEU 25 3HD2 LEU 25 7.404 -0.689 0.550 201 HD22 LEU 25 1HD2 LEU 25 8.981 -1.515 0.548 202 HD23 LEU 25 2HD2 LEU 25 8.743 -0.054 1.535 203 H GLU 26 H GLU 26 10.328 4.240 -0.476 204 HA GLU 26 HA GLU 26 10.490 6.551 -1.084 205 HB2 GLU 26 1HB GLU 26 8.587 5.630 -2.640 206 HB3 GLU 26 2HB GLU 26 7.567 6.657 -1.665 207 HG2 GLU 26 1HG GLU 26 9.031 8.597 -2.163 208 HG3 GLU 26 2HG GLU 26 10.058 7.557 -3.151 209 H CYS 27 H CYS 27 9.812 5.799 1.810 210 HA CYS 27 HA CYS 27 9.347 8.633 2.522 211 HB2 CYS 27 1HB CYS 27 7.092 7.196 2.467 212 HB3 CYS 27 2HB CYS 27 7.641 6.802 4.107 213 H GLY 28 H GLY 28 9.514 5.260 3.893 214 HA2 GLY 28 1HA GLY 28 11.631 4.526 4.928 215 HA3 GLY 28 2HA GLY 28 11.852 6.187 5.561 216 H GLY 29 H GLY 29 9.312 6.670 6.586 217 HA2 GLY 29 1HA GLY 29 9.353 5.489 9.235 218 HA3 GLY 29 2HA GLY 29 7.986 6.320 8.542 219 H SER 30 H SER 30 8.065 4.059 10.304 220 HA SER 30 HA SER 30 6.717 1.926 8.562 221 HB2 SER 30 1HB SER 30 8.443 1.584 10.994 222 HB3 SER 30 2HB SER 30 7.368 0.337 10.336 223 HG SER 30 HG SER 30 8.866 1.510 8.313 224 H PHE 31 H PHE 31 4.963 0.962 9.164 225 HA PHE 31 HA PHE 31 3.421 1.646 11.651 226 HB2 PHE 31 1HB PHE 31 1.521 2.509 10.280 227 HB3 PHE 31 2HB PHE 31 2.877 3.622 10.653 228 HD1 PHE 31 HD1 PHE 31 2.217 1.107 7.864 229 HD2 PHE 31 HD2 PHE 31 3.249 5.108 9.020 230 HE1 PHE 31 HE1 PHE 31 3.167 1.510 5.615 231 HE2 PHE 31 HE2 PHE 31 4.112 5.539 6.742 232 HZ PHE 31 HZ PHE 31 3.990 3.767 5.015 233 H LYS 32 H LYS 32 1.517 0.600 11.926 234 HA LYS 32 HA LYS 32 1.331 -2.073 10.857 235 HB2 LYS 32 1HB LYS 32 -0.781 -2.158 12.231 236 HB3 LYS 32 2HB LYS 32 0.622 -1.638 13.114 237 HG2 LYS 32 1HG LYS 32 -0.292 0.789 12.370 238 HG3 LYS 32 2HG LYS 32 -1.805 -0.114 12.365 239 HD2 LYS 32 1HD LYS 32 -1.488 -0.794 14.689 240 HD3 LYS 32 2HD LYS 32 0.146 -0.161 14.713 241 HE2 LYS 32 1HE LYS 32 -2.355 1.555 14.334 242 HE3 LYS 32 2HE LYS 32 -1.466 1.379 15.825 243 HZ1 LYS 32 3HZ LYS 32 -0.415 2.479 13.324 244 HZ2 LYS 32 1HZ LYS 32 -0.893 3.331 14.693 245 HZ3 LYS 32 2HZ LYS 32 0.442 2.310 14.761 246 H SER 33 H SER 33 0.445 0.732 9.251 247 HA SER 33 HA SER 33 -1.363 -0.758 7.421 248 HB2 SER 33 1HB SER 33 -3.150 0.984 7.532 249 HB3 SER 33 2HB SER 33 -3.015 -0.046 8.960 250 HG SER 33 HG SER 33 -1.506 2.399 8.894 251 H LEU 34 H LEU 34 0.217 -0.529 5.879 252 HA LEU 34 HA LEU 34 1.154 2.034 4.822 253 HB2 LEU 34 1HB LEU 34 2.323 0.049 4.425 254 HB3 LEU 34 2HB LEU 34 0.956 -0.566 3.429 255 HG LEU 34 HG LEU 34 1.336 1.125 1.780 256 HD11 LEU 34 1HD1 LEU 34 3.244 2.668 1.841 257 HD12 LEU 34 2HD1 LEU 34 2.106 3.004 3.168 258 HD13 LEU 34 3HD1 LEU 34 3.629 2.143 3.496 259 HD21 LEU 34 3HD2 LEU 34 2.670 -0.958 1.669 260 HD22 LEU 34 1HD2 LEU 34 3.612 0.416 1.044 261 HD23 LEU 34 2HD2 LEU 34 3.933 -0.214 2.677 262 H LYS 35 H LYS 35 -1.754 0.052 4.075 263 HA LYS 35 HA LYS 35 -2.626 1.453 1.766 264 HB2 LYS 35 1HB LYS 35 -3.510 -0.706 2.947 265 HB3 LYS 35 2HB LYS 35 -4.677 0.444 3.659 266 HG2 LYS 35 1HG LYS 35 -4.894 1.345 1.215 267 HG3 LYS 35 2HG LYS 35 -4.183 -0.240 0.755 268 HD2 LYS 35 1HD LYS 35 -6.747 0.154 2.304 269 HD3 LYS 35 2HD LYS 35 -6.624 -0.176 0.544 270 HE2 LYS 35 1HE LYS 35 -5.483 -2.345 1.141 271 HE3 LYS 35 2HE LYS 35 -5.900 -2.024 2.837 272 HZ1 LYS 35 3HZ LYS 35 -7.809 -2.203 0.591 273 HZ2 LYS 35 1HZ LYS 35 -7.544 -3.383 1.761 274 HZ3 LYS 35 2HZ LYS 35 -8.204 -1.899 2.197 275 H ARG 36 H ARG 36 -3.256 2.277 5.215 276 HA ARG 36 HA ARG 36 -4.823 4.679 4.676 277 HB2 ARG 36 1HB ARG 36 -3.254 3.883 7.094 278 HB3 ARG 36 2HB ARG 36 -3.981 5.458 6.929 279 HG2 ARG 36 1HG ARG 36 -6.180 4.255 6.409 280 HG3 ARG 36 2HG ARG 36 -5.370 2.778 6.936 281 HD2 ARG 36 1HD ARG 36 -6.046 3.403 9.049 282 HD3 ARG 36 2HD ARG 36 -4.735 4.556 9.000 283 HE ARG 36 HE ARG 36 -7.580 5.065 8.796 284 HH11 ARG 36 1HH1 ARG 36 -4.403 6.584 8.043 285 HH12 ARG 36 2HH1 ARG 36 -5.114 8.217 8.144 286 HH21 ARG 36 1HH2 ARG 36 -8.344 7.134 8.913 287 HH22 ARG 36 2HH2 ARG 36 -7.255 8.516 8.616 288 H HIS 37 H HIS 37 -1.465 4.662 5.890 289 HA HIS 37 HA HIS 37 -0.791 7.295 5.349 290 HB2 HIS 37 1HB HIS 37 0.533 5.992 6.755 291 HB3 HIS 37 2HB HIS 37 0.953 4.867 5.425 292 HD1 HIS 37 HD1 HIS 37 1.942 8.066 7.059 293 HD2 HIS 37 HD2 HIS 37 2.756 5.978 3.479 294 HE1 HIS 37 HE1 HIS 37 4.042 9.131 6.029 295 H LEU 38 H LEU 38 -0.269 4.449 3.177 296 HA LEU 38 HA LEU 38 0.956 5.734 0.962 297 HB2 LEU 38 1HB LEU 38 0.824 3.395 1.255 298 HB3 LEU 38 2HB LEU 38 -0.940 3.452 0.882 299 HG LEU 38 HG LEU 38 0.913 2.752 -0.931 300 HD11 LEU 38 1HD1 LEU 38 -0.700 3.388 -2.652 301 HD12 LEU 38 2HD1 LEU 38 -1.535 2.714 -1.232 302 HD13 LEU 38 3HD1 LEU 38 -1.523 4.473 -1.506 303 HD21 LEU 38 3HD2 LEU 38 2.222 4.727 -0.852 304 HD22 LEU 38 1HD2 LEU 38 1.449 4.507 -2.440 305 HD23 LEU 38 2HD2 LEU 38 0.810 5.713 -1.298 306 H THR 39 H THR 39 -2.528 4.864 0.963 307 HA THR 39 HA THR 39 -3.418 6.644 -1.134 308 HB THR 39 HB THR 39 -5.205 5.788 1.109 309 HG1 THR 39 HG1 THR 39 -5.418 3.815 -0.341 310 HG21 THR 39 3HG2 THR 39 -5.503 6.003 -1.903 311 HG22 THR 39 1HG2 THR 39 -6.764 5.530 -0.739 312 HG23 THR 39 2HG2 THR 39 -6.105 7.183 -0.714 313 H THR 40 H THR 40 -3.006 7.329 2.328 314 HA THR 40 HA THR 40 -4.242 9.941 2.323 315 HB THR 40 HB THR 40 -2.124 8.863 4.247 316 HG1 THR 40 HG1 THR 40 -4.931 8.942 4.719 317 HG21 THR 40 3HG2 THR 40 -4.155 11.062 4.591 318 HG22 THR 40 1HG2 THR 40 -3.041 10.407 5.815 319 HG23 THR 40 2HG2 THR 40 -2.399 11.291 4.409 320 H HIS 41 H HIS 41 -0.735 9.114 2.349 321 HA HIS 41 HA HIS 41 0.045 11.988 1.840 322 HB2 HIS 41 1HB HIS 41 1.500 9.608 2.873 323 HB3 HIS 41 2HB HIS 41 2.357 10.964 2.203 324 HD2 HIS 41 HD2 HIS 41 3.250 11.183 4.740 325 HE1 HIS 41 HE1 HIS 41 -0.233 12.975 6.315 326 HE2 HIS 41 HE2 HIS 41 2.245 12.422 6.761 327 H HIS 42 H HIS 42 1.727 9.179 0.589 328 HA HIS 42 HA HIS 42 2.287 10.170 -1.996 329 HB2 HIS 42 1HB HIS 42 1.869 7.271 -1.576 330 HB3 HIS 42 2HB HIS 42 3.133 8.162 -2.481 331 HD1 HIS 42 HD1 HIS 42 5.288 8.741 -1.284 332 HD2 HIS 42 HD2 HIS 42 2.298 7.180 1.258 333 HE1 HIS 42 HE1 HIS 42 6.396 8.294 0.989 334 H SER 43 H SER 43 -0.769 8.935 -0.689 335 HA SER 43 HA SER 43 -2.897 8.672 -1.664 336 HB2 SER 43 1HB SER 43 -1.875 10.094 -4.103 337 HB3 SER 43 2HB SER 43 -3.543 9.771 -3.668 338 HG SER 43 HG SER 43 -1.754 11.712 -2.732 339 H MET 44 H MET 44 -3.721 7.979 -4.189 340 HA MET 44 HA MET 44 -3.925 6.322 -5.768 341 HB2 MET 44 1HB MET 44 -1.117 5.453 -5.187 342 HB3 MET 44 2HB MET 44 -2.159 4.966 -6.565 343 HG2 MET 44 1HG MET 44 -1.094 6.644 -7.704 344 HG3 MET 44 2HG MET 44 -2.086 7.747 -6.791 345 HE1 MET 44 3HE MET 44 1.423 6.127 -7.222 346 HE2 MET 44 1HE MET 44 2.282 6.665 -5.758 347 HE3 MET 44 2HE MET 44 0.969 5.471 -5.630 348 H THR 45 H THR 45 -4.214 4.080 -6.165 349 HA THR 45 HA THR 45 -5.123 2.507 -3.859 350 HB THR 45 HB THR 45 -5.566 0.703 -5.449 351 HG1 THR 45 HG1 THR 45 -4.642 2.233 -7.620 352 HG21 THR 45 3HG2 THR 45 -6.425 3.410 -6.492 353 HG22 THR 45 1HG2 THR 45 -7.182 1.837 -6.840 354 HG23 THR 45 2HG2 THR 45 -7.224 2.498 -5.188 355 HA PRO 46 HA PRO 46 -1.498 0.352 -2.538 356 HB2 PRO 46 1HB PRO 46 -2.486 -2.148 -2.198 357 HB3 PRO 46 2HB PRO 46 -2.599 -0.759 -1.015 358 HG2 PRO 46 1HG PRO 46 -4.721 -1.759 -3.023 359 HG3 PRO 46 2HG PRO 46 -4.981 -1.322 -1.337 360 HD2 PRO 46 1HD PRO 46 -5.487 0.526 -3.251 361 HD3 PRO 46 2HD PRO 46 -4.682 1.040 -1.771 362 H GLU 47 H GLU 47 -3.505 -1.486 -4.912 363 HA GLU 47 HA GLU 47 -1.315 -2.939 -6.081 364 HB2 GLU 47 1HB GLU 47 -4.091 -2.461 -6.924 365 HB3 GLU 47 2HB GLU 47 -2.931 -2.887 -8.177 366 HG2 GLU 47 1HG GLU 47 -2.174 -4.749 -6.463 367 HG3 GLU 47 2HG GLU 47 -3.772 -4.468 -5.758 368 H GLU 48 H GLU 48 -2.700 0.264 -7.092 369 HA GLU 48 HA GLU 48 -0.976 0.646 -9.386 370 HB2 GLU 48 1HB GLU 48 -2.895 2.223 -8.017 371 HB3 GLU 48 2HB GLU 48 -1.412 3.140 -7.938 372 HG2 GLU 48 1HG GLU 48 -2.578 3.757 -9.947 373 HG3 GLU 48 2HG GLU 48 -1.163 2.843 -10.440 374 H TYR 49 H TYR 49 -0.549 1.423 -5.956 375 HA TYR 49 HA TYR 49 2.020 2.645 -6.089 376 HB2 TYR 49 1HB TYR 49 0.472 2.675 -4.118 377 HB3 TYR 49 2HB TYR 49 0.890 0.997 -3.793 378 HD1 TYR 49 HD1 TYR 49 3.000 3.916 -4.883 379 HD2 TYR 49 HD2 TYR 49 2.195 0.930 -1.901 380 HE1 TYR 49 HE1 TYR 49 5.017 4.624 -3.635 381 HE2 TYR 49 HE2 TYR 49 4.217 1.641 -0.644 382 HH TYR 49 HH TYR 49 6.388 4.198 -2.077 383 H ARG 50 H ARG 50 1.191 -0.844 -5.756 384 HA ARG 50 HA ARG 50 3.849 -1.865 -5.275 385 HB2 ARG 50 1HB ARG 50 3.162 -3.861 -5.603 386 HB3 ARG 50 2HB ARG 50 1.611 -3.019 -5.229 387 HG2 ARG 50 1HG ARG 50 0.984 -4.484 -6.954 388 HG3 ARG 50 2HG ARG 50 1.321 -3.037 -7.859 389 HD2 ARG 50 1HD ARG 50 3.391 -3.875 -8.661 390 HD3 ARG 50 2HD ARG 50 3.457 -5.144 -7.446 391 HE ARG 50 HE ARG 50 2.135 -6.471 -8.738 392 HH11 ARG 50 1HH1 ARG 50 2.085 -3.239 -10.255 393 HH12 ARG 50 2HH1 ARG 50 0.973 -3.787 -11.537 394 HH21 ARG 50 1HH2 ARG 50 0.857 -7.106 -10.430 395 HH22 ARG 50 2HH2 ARG 50 0.303 -5.915 -11.638 396 H GLU 51 H GLU 51 2.281 -0.923 -8.335 397 HA GLU 51 HA GLU 51 4.325 -1.881 -10.166 398 HB2 GLU 51 1HB GLU 51 1.943 -1.098 -10.702 399 HB3 GLU 51 2HB GLU 51 2.601 0.536 -10.667 400 HG2 GLU 51 1HG GLU 51 4.406 -0.332 -12.335 401 HG3 GLU 51 2HG GLU 51 3.388 -1.743 -12.530 402 H LYS 52 H LYS 52 3.969 1.197 -8.406 403 HA LYS 52 HA LYS 52 6.052 2.783 -9.571 404 HB2 LYS 52 1HB LYS 52 4.523 3.772 -8.194 405 HB3 LYS 52 2HB LYS 52 4.886 2.650 -6.836 406 HG2 LYS 52 1HG LYS 52 5.809 4.976 -6.481 407 HG3 LYS 52 2HG LYS 52 7.055 3.758 -6.477 408 HD2 LYS 52 1HD LYS 52 7.158 4.368 -9.079 409 HD3 LYS 52 2HD LYS 52 6.501 5.895 -8.458 410 HE2 LYS 52 1HE LYS 52 8.375 6.304 -7.106 411 HE3 LYS 52 2HE LYS 52 8.841 4.592 -7.057 412 HZ1 LYS 52 3HZ LYS 52 8.969 6.352 -9.421 413 HZ2 LYS 52 1HZ LYS 52 10.273 5.863 -8.478 414 HZ3 LYS 52 2HZ LYS 52 9.412 4.731 -9.375 415 H TRP 53 H TRP 53 6.357 0.575 -6.760 416 HA TRP 53 HA TRP 53 9.332 0.657 -7.065 417 HB2 TRP 53 1HB TRP 53 7.480 -0.394 -4.871 418 HB3 TRP 53 2HB TRP 53 9.195 -0.696 -4.851 419 HD1 TRP 53 HD1 TRP 53 6.685 2.177 -4.543 420 HE1 TRP 53 HE1 TRP 53 7.883 4.220 -3.571 421 HE3 TRP 53 HE3 TRP 53 11.329 0.243 -4.473 422 HZ2 TRP 53 HZ2 TRP 53 10.563 4.877 -2.895 423 HZ3 TRP 53 HZ3 TRP 53 13.199 1.536 -3.475 424 HH2 TRP 53 HH2 TRP 53 12.811 3.860 -2.698 425 H ASP 54 H ASP 54 7.217 -0.945 -8.733 426 HA ASP 54 HA ASP 54 6.946 -2.992 -9.744 427 HB2 ASP 54 1HB ASP 54 9.885 -3.417 -9.317 428 HB3 ASP 54 2HB ASP 54 8.835 -4.017 -10.638 429 H LEU 55 H LEU 55 6.466 -3.047 -6.890 430 HA LEU 55 HA LEU 55 7.712 -5.140 -5.441 431 HB2 LEU 55 1HB LEU 55 5.055 -3.724 -5.094 432 HB3 LEU 55 2HB LEU 55 5.463 -5.054 -4.070 433 HG LEU 55 HG LEU 55 7.654 -3.143 -4.292 434 HD11 LEU 55 1HD1 LEU 55 6.480 -1.411 -2.980 435 HD12 LEU 55 2HD1 LEU 55 5.746 -1.594 -4.591 436 HD13 LEU 55 3HD1 LEU 55 4.950 -2.302 -3.164 437 HD21 LEU 55 3HD2 LEU 55 7.473 -4.955 -2.598 438 HD22 LEU 55 1HD2 LEU 55 7.479 -3.348 -1.832 439 HD23 LEU 55 2HD2 LEU 55 5.952 -4.244 -2.009 440 HA PRO 56 HA PRO 56 6.100 -8.751 -7.713 441 HB2 PRO 56 1HB PRO 56 7.381 -10.618 -6.211 442 HB3 PRO 56 2HB PRO 56 8.175 -9.734 -7.514 443 HG2 PRO 56 1HG PRO 56 8.243 -9.154 -4.516 444 HG3 PRO 56 2HG PRO 56 9.592 -9.186 -5.651 445 HD2 PRO 56 1HD PRO 56 8.338 -6.776 -4.968 446 HD3 PRO 56 2HD PRO 56 8.894 -7.052 -6.692 447 H VAL 57 H VAL 57 4.692 -10.260 -7.399 448 HA VAL 57 HA VAL 57 2.628 -11.005 -6.755 449 HB VAL 57 HB VAL 57 4.175 -12.269 -5.358 450 HG11 VAL 57 1HG1 VAL 57 3.898 -12.163 -2.929 451 HG12 VAL 57 2HG1 VAL 57 4.685 -10.692 -3.550 452 HG13 VAL 57 3HG1 VAL 57 2.967 -10.656 -3.090 453 HG21 VAL 57 3HG2 VAL 57 2.068 -13.046 -5.979 454 HG22 VAL 57 1HG2 VAL 57 2.388 -13.455 -4.276 455 HG23 VAL 57 2HG2 VAL 57 1.279 -12.122 -4.678 456 H ASP 58 H ASP 58 3.109 -7.983 -6.539 457 HA ASP 58 HA ASP 58 2.073 -6.016 -5.625 458 HB2 ASP 58 1HB ASP 58 -0.247 -5.928 -5.687 459 HB3 ASP 58 2HB ASP 58 0.589 -6.458 -7.191 460 H TYR 59 H TYR 59 3.427 -6.989 -3.730 461 HA TYR 59 HA TYR 59 2.596 -8.150 -1.351 462 HB2 TYR 59 1HB TYR 59 4.866 -7.017 -2.052 463 HB3 TYR 59 2HB TYR 59 4.198 -5.572 -1.322 464 HD1 TYR 59 HD1 TYR 59 5.364 -8.976 -0.767 465 HD2 TYR 59 HD2 TYR 59 3.791 -5.453 1.117 466 HE1 TYR 59 HE1 TYR 59 6.061 -9.855 1.442 467 HE2 TYR 59 HE2 TYR 59 4.491 -6.330 3.331 468 HH TYR 59 HH TYR 59 5.717 -7.815 4.410 469 HA PRO 60 HA PRO 60 -0.961 -5.924 0.067 470 HB2 PRO 60 1HB PRO 60 -1.055 -6.820 2.629 471 HB3 PRO 60 2HB PRO 60 -1.525 -7.838 1.268 472 HG2 PRO 60 1HG PRO 60 1.156 -7.765 2.740 473 HG3 PRO 60 2HG PRO 60 0.197 -9.176 2.300 474 HD2 PRO 60 1HD PRO 60 2.292 -8.292 0.658 475 HD3 PRO 60 2HD PRO 60 0.752 -8.925 -0.104 476 H MET 61 H MET 61 -1.451 -4.089 0.910 477 HA MET 61 HA MET 61 0.701 -2.466 2.308 478 HB2 MET 61 1HB MET 61 -1.775 -1.742 0.751 479 HB3 MET 61 2HB MET 61 -1.013 -0.611 1.821 480 HG2 MET 61 1HG MET 61 -0.191 -0.230 -0.304 481 HG3 MET 61 2HG MET 61 1.134 -1.015 0.618 482 HE1 MET 61 3HE MET 61 2.685 -1.927 -1.103 483 HE2 MET 61 1HE MET 61 2.175 -2.528 -2.698 484 HE3 MET 61 2HE MET 61 1.827 -0.848 -2.228 485 H VAL 62 H VAL 62 -0.846 -4.669 3.717 486 HA VAL 62 HA VAL 62 -1.922 -2.885 5.896 487 HB VAL 62 HB VAL 62 -3.197 -5.568 5.533 488 HG11 VAL 62 1HG1 VAL 62 -5.073 -4.333 6.590 489 HG12 VAL 62 2HG1 VAL 62 -3.590 -4.197 7.563 490 HG13 VAL 62 3HG1 VAL 62 -4.113 -2.835 6.544 491 HG21 VAL 62 3HG2 VAL 62 -3.487 -4.672 3.319 492 HG22 VAL 62 1HG2 VAL 62 -5.014 -4.682 4.230 493 HG23 VAL 62 2HG2 VAL 62 -4.128 -3.156 3.997 494 H ALA 63 H ALA 63 -1.722 -3.850 8.051 495 HA ALA 63 HA ALA 63 0.655 -4.984 8.970 496 HB1 ALA 63 3HB ALA 63 -2.143 -5.631 9.937 497 HB2 ALA 63 1HB ALA 63 -0.631 -5.804 10.860 498 HB3 ALA 63 2HB ALA 63 -1.198 -4.189 10.374 499 HA PRO 64 HA PRO 64 1.788 -8.717 7.276 500 HB2 PRO 64 1HB PRO 64 2.255 -10.252 9.535 501 HB3 PRO 64 2HB PRO 64 3.423 -9.168 8.647 502 HG2 PRO 64 1HG PRO 64 1.776 -8.569 11.172 503 HG3 PRO 64 2HG PRO 64 3.441 -8.099 10.840 504 HD2 PRO 64 1HD PRO 64 1.488 -6.277 10.430 505 HD3 PRO 64 2HD PRO 64 2.771 -6.410 9.231 506 H ALA 65 H ALA 65 -0.167 -9.460 10.181 507 HA ALA 65 HA ALA 65 -1.921 -11.245 8.459 508 HB1 ALA 65 3HB ALA 65 -0.916 -11.826 11.237 509 HB2 ALA 65 1HB ALA 65 -2.107 -12.778 10.319 510 HB3 ALA 65 2HB ALA 65 -0.432 -12.641 9.732 511 H TYR 66 H TYR 66 -2.598 -8.682 8.589 512 HA TYR 66 HA TYR 66 -4.184 -7.714 10.780 513 HB2 TYR 66 1HB TYR 66 -3.502 -6.328 8.824 514 HB3 TYR 66 2HB TYR 66 -4.612 -7.193 7.812 515 HD1 TYR 66 HD1 TYR 66 -4.281 -4.806 10.568 516 HD2 TYR 66 HD2 TYR 66 -7.002 -6.882 7.975 517 HE1 TYR 66 HE1 TYR 66 -6.078 -3.209 11.175 518 HE2 TYR 66 HE2 TYR 66 -8.798 -5.290 8.584 519 HH TYR 66 HH TYR 66 -8.097 -2.294 10.199 520 H ALA 67 H ALA 67 -5.525 -9.034 7.804 521 HA ALA 67 HA ALA 67 -6.920 -11.287 8.836 522 HB1 ALA 67 3HB ALA 67 -8.756 -8.910 8.433 523 HB2 ALA 67 1HB ALA 67 -9.265 -10.601 8.646 524 HB3 ALA 67 2HB ALA 67 -8.430 -9.750 9.967 525 H GLU 68 H GLU 68 -5.592 -11.720 7.021 526 HA GLU 68 HA GLU 68 -6.829 -12.275 4.536 527 HB2 GLU 68 1HB GLU 68 -6.077 -9.505 4.579 528 HB3 GLU 68 2HB GLU 68 -4.917 -10.315 3.561 529 HG2 GLU 68 1HG GLU 68 -6.751 -9.550 2.261 530 HG3 GLU 68 2HG GLU 68 -6.757 -11.341 2.286 531 H ALA 69 H ALA 69 -4.886 -12.539 2.795 532 HA ALA 69 HA ALA 69 -3.073 -13.814 2.176 533 HB1 ALA 69 3HB ALA 69 -1.734 -12.324 4.393 534 HB2 ALA 69 1HB ALA 69 -0.923 -13.263 3.117 535 HB3 ALA 69 2HB ALA 69 -1.906 -11.843 2.688 536 H ARG 70 H ARG 70 -4.055 -15.728 2.542 537 HA ARG 70 HA ARG 70 -2.924 -17.419 4.780 538 HB2 ARG 70 1HB ARG 70 -5.245 -16.579 5.420 539 HB3 ARG 70 2HB ARG 70 -5.890 -17.402 4.031 540 HG2 ARG 70 1HG ARG 70 -6.205 -18.833 5.872 541 HG3 ARG 70 2HG ARG 70 -4.876 -19.549 4.957 542 HD2 ARG 70 1HD ARG 70 -3.396 -18.031 6.577 543 HD3 ARG 70 2HD ARG 70 -4.837 -18.161 7.611 544 HE ARG 70 HE ARG 70 -4.617 -20.601 7.560 545 HH11 ARG 70 1HH1 ARG 70 -1.823 -18.857 6.156 546 HH12 ARG 70 2HH1 ARG 70 -0.719 -20.225 6.457 547 HH21 ARG 70 1HH2 ARG 70 -3.162 -22.303 7.862 548 HH22 ARG 70 2HH2 ARG 70 -1.453 -22.111 7.389 549 H SER 71 H SER 71 -5.224 -17.671 2.146 550 HA SER 71 HA SER 71 -3.636 -19.254 0.345 551 HB2 SER 71 1HB SER 71 -4.053 -21.114 1.879 552 HB3 SER 71 2HB SER 71 -5.776 -20.740 1.950 553 HG SER 71 HG SER 71 -5.791 -21.109 -0.451 554 H ARG 72 H ARG 72 -7.042 -19.134 1.481 555 HA ARG 72 HA ARG 72 -7.922 -17.749 -1.066 556 HB2 ARG 72 1HB ARG 72 -9.418 -19.275 1.009 557 HB3 ARG 72 2HB ARG 72 -10.210 -18.138 -0.106 558 HG2 ARG 72 1HG ARG 72 -9.225 -19.376 -2.051 559 HG3 ARG 72 2HG ARG 72 -8.436 -20.494 -0.955 560 HD2 ARG 72 1HD ARG 72 -10.579 -21.206 -0.091 561 HD3 ARG 72 2HD ARG 72 -11.396 -20.049 -1.214 562 HE ARG 72 HE ARG 72 -9.613 -21.500 -2.817 563 HH11 ARG 72 1HH1 ARG 72 -12.493 -22.443 -0.899 564 HH12 ARG 72 2HH1 ARG 72 -12.771 -23.883 -1.916 565 HH21 ARG 72 1HH2 ARG 72 -10.031 -23.298 -4.030 566 HH22 ARG 72 2HH2 ARG 72 -11.417 -24.351 -3.639 567 H LEU 73 H LEU 73 -6.868 -15.887 -0.608 568 HA LEU 73 HA LEU 73 -8.314 -14.097 1.334 569 HB2 LEU 73 1HB LEU 73 -6.553 -12.510 1.019 570 HB3 LEU 73 2HB LEU 73 -5.903 -14.112 1.512 571 HG LEU 73 HG LEU 73 -5.925 -13.450 -1.393 572 HD11 LEU 73 1HD1 LEU 73 -3.783 -12.211 -1.134 573 HD12 LEU 73 2HD1 LEU 73 -5.119 -11.358 -0.327 574 HD13 LEU 73 3HD1 LEU 73 -3.953 -12.296 0.635 575 HD21 LEU 73 3HD2 LEU 73 -5.096 -15.628 -0.575 576 HD22 LEU 73 1HD2 LEU 73 -3.783 -14.673 -1.304 577 HD23 LEU 73 2HD2 LEU 73 -3.919 -14.791 0.466 578 H ALA 74 H ALA 74 -7.942 -11.661 -0.093 579 HA ALA 74 HA ALA 74 -9.514 -12.125 -2.642 580 HB1 ALA 74 3HB ALA 74 -9.607 -9.752 -0.773 581 HB2 ALA 74 1HB ALA 74 -10.481 -9.909 -2.315 582 HB3 ALA 74 2HB ALA 74 -10.855 -11.007 -0.965 583 H LYS 75 H LYS 75 -7.632 -12.472 -3.746 584 HA LYS 75 HA LYS 75 -5.622 -10.388 -4.215 585 HB2 LYS 75 1HB LYS 75 -6.398 -12.924 -5.709 586 HB3 LYS 75 2HB LYS 75 -5.152 -11.844 -6.285 587 HG2 LYS 75 1HG LYS 75 -5.089 -13.086 -3.495 588 HG3 LYS 75 2HG LYS 75 -4.302 -13.776 -4.887 589 HD2 LYS 75 1HD LYS 75 -3.713 -10.941 -3.971 590 HD3 LYS 75 2HD LYS 75 -2.856 -12.346 -3.366 591 HE2 LYS 75 1HE LYS 75 -1.952 -12.856 -5.517 592 HE3 LYS 75 2HE LYS 75 -3.075 -11.769 -6.338 593 HZ1 LYS 75 3HZ LYS 75 -0.974 -10.967 -4.443 594 HZ2 LYS 75 1HZ LYS 75 -0.924 -10.814 -6.116 595 HZ3 LYS 75 2HZ LYS 75 -2.045 -9.931 -5.225 596 H GLU 76 H GLU 76 -5.371 -9.160 -6.100 597 HA GLU 76 HA GLU 76 -6.040 -7.567 -7.710 598 HB2 GLU 76 1HB GLU 76 -7.672 -9.557 -8.522 599 HB3 GLU 76 2HB GLU 76 -8.875 -8.438 -7.978 600 HG2 GLU 76 1HG GLU 76 -7.571 -6.676 -9.376 601 HG3 GLU 76 2HG GLU 76 -6.841 -8.091 -10.139 602 H MET 77 H MET 77 -7.540 -5.687 -7.950 603 HA MET 77 HA MET 77 -7.777 -4.313 -5.430 604 HB2 MET 77 1HB MET 77 -8.742 -2.483 -6.618 605 HB3 MET 77 2HB MET 77 -7.254 -3.121 -7.396 606 HG2 MET 77 1HG MET 77 -9.971 -3.930 -8.373 607 HG3 MET 77 2HG MET 77 -9.239 -2.365 -8.858 608 HE1 MET 77 3HE MET 77 -6.395 -2.621 -9.518 609 HE2 MET 77 1HE MET 77 -6.377 -3.275 -11.172 610 HE3 MET 77 2HE MET 77 -7.600 -2.069 -10.706 611 H GLY 78 H GLY 78 -9.265 -3.914 -4.048 612 HA2 GLY 78 1HA GLY 78 -11.899 -5.181 -4.130 613 HA3 GLY 78 2HA GLY 78 -11.289 -4.020 -2.907 614 H LEU 79 H LEU 79 -10.704 -1.938 -4.798 615 HA LEU 79 HA LEU 79 -13.465 -1.071 -5.721 616 HB2 LEU 79 1HB LEU 79 -11.444 0.468 -4.095 617 HB3 LEU 79 2HB LEU 79 -12.790 1.225 -5.006 618 HG LEU 79 HG LEU 79 -13.205 -0.889 -2.871 619 HD11 LEU 79 1HD1 LEU 79 -13.794 1.004 -1.379 620 HD12 LEU 79 2HD1 LEU 79 -12.093 1.101 -1.894 621 HD13 LEU 79 3HD1 LEU 79 -13.313 2.153 -2.650 622 HD21 LEU 79 3HD2 LEU 79 -15.054 -0.613 -4.466 623 HD22 LEU 79 1HD2 LEU 79 -15.499 -0.009 -2.852 624 HD23 LEU 79 2HD2 LEU 79 -15.076 1.137 -4.146 625 H GLY 80 H GLY 80 -13.616 0.106 -7.482 626 HA2 GLY 80 1HA GLY 80 -11.559 0.069 -9.564 627 HA3 GLY 80 2HA GLY 80 -13.019 1.013 -9.611 628 H GLN 81 H GLN 81 -13.106 3.038 -8.685 629 HA GLN 81 HA GLN 81 -10.504 4.476 -8.154 630 HB2 GLN 81 1HB GLN 81 -12.367 4.970 -10.501 631 HB3 GLN 81 2HB GLN 81 -11.365 6.251 -9.839 632 HG2 GLN 81 1HG GLN 81 -9.345 5.130 -10.425 633 HG3 GLN 81 2HG GLN 81 -10.154 3.585 -10.646 634 HE21 GLN 81 1HE2 GLN 81 -11.189 3.096 -12.536 635 HE22 GLN 81 2HE2 GLN 81 -11.103 4.145 -13.976 636 H ARG 82 H ARG 82 -10.727 6.516 -7.245 637 HA ARG 82 HA ARG 82 -13.438 7.375 -6.271 638 HB2 ARG 82 1HB ARG 82 -12.228 5.732 -4.562 639 HB3 ARG 82 2HB ARG 82 -11.193 7.083 -4.230 640 HG2 ARG 82 1HG ARG 82 -12.986 7.036 -2.643 641 HG3 ARG 82 2HG ARG 82 -13.203 8.456 -3.661 642 HD2 ARG 82 1HD ARG 82 -14.890 7.245 -5.011 643 HD3 ARG 82 2HD ARG 82 -14.660 5.803 -4.010 644 HE ARG 82 HE ARG 82 -15.211 7.835 -2.186 645 HH11 ARG 82 1HH1 ARG 82 -16.954 6.636 -5.080 646 HH12 ARG 82 2HH1 ARG 82 -18.544 6.955 -4.339 647 HH21 ARG 82 1HH2 ARG 82 -17.251 8.243 -1.351 648 HH22 ARG 82 2HH2 ARG 82 -18.706 7.838 -2.299 649 H ARG 83 H ARG 83 -13.611 9.499 -5.870 650 HA ARG 83 HA ARG 83 -11.353 11.398 -5.789 651 HB2 ARG 83 1HB ARG 83 -12.404 10.598 -8.343 652 HB3 ARG 83 2HB ARG 83 -12.894 12.289 -8.008 653 HG2 ARG 83 1HG ARG 83 -9.982 11.352 -7.843 654 HG3 ARG 83 2HG ARG 83 -10.666 12.033 -9.284 655 HD2 ARG 83 1HD ARG 83 -11.303 14.043 -7.926 656 HD3 ARG 83 2HD ARG 83 -10.298 13.334 -6.619 657 HE ARG 83 HE ARG 83 -8.819 13.190 -9.054 658 HH11 ARG 83 1HH1 ARG 83 -9.624 15.640 -6.568 659 HH12 ARG 83 2HH1 ARG 83 -8.389 16.766 -7.192 660 HH21 ARG 83 1HH2 ARG 83 -7.228 14.602 -9.677 661 HH22 ARG 83 2HH2 ARG 83 -7.074 16.195 -8.887 662 H LYS 84 H LYS 84 -12.202 12.348 -4.026 663 HA LYS 84 HA LYS 84 -14.882 13.755 -4.402 664 HB2 LYS 84 1HB LYS 84 -14.956 11.784 -2.815 665 HB3 LYS 84 2HB LYS 84 -13.914 12.709 -1.747 666 HG2 LYS 84 1HG LYS 84 -15.990 14.492 -2.534 667 HG3 LYS 84 2HG LYS 84 -16.762 12.956 -2.153 668 HD2 LYS 84 1HD LYS 84 -15.713 12.909 0.049 669 HD3 LYS 84 2HD LYS 84 -14.756 14.346 -0.331 670 HE2 LYS 84 1HE LYS 84 -16.890 15.645 -0.616 671 HE3 LYS 84 2HE LYS 84 -17.797 14.211 -0.128 672 HZ1 LYS 84 3HZ LYS 84 -15.758 15.590 1.485 673 HZ2 LYS 84 1HZ LYS 84 -17.424 15.680 1.692 674 HZ3 LYS 84 2HZ LYS 84 -16.622 14.224 1.949 675 H ALA 85 H ALA 85 -13.322 15.259 -5.388 676 HA ALA 85 HA ALA 85 -12.174 17.240 -5.459 677 HB1 ALA 85 3HB ALA 85 -13.554 17.783 -2.883 678 HB2 ALA 85 1HB ALA 85 -12.686 18.969 -3.885 679 HB3 ALA 85 2HB ALA 85 -14.108 18.123 -4.539 680 H ASN 86 H ASN 86 -11.858 16.788 -1.944 681 HA ASN 86 HA ASN 86 -9.023 16.094 -1.838 682 HB2 ASN 86 1HB ASN 86 -9.352 18.786 -2.515 683 HB3 ASN 86 2HB ASN 86 -9.112 18.807 -0.774 684 HD21 ASN 86 1HD2 ASN 86 -7.260 17.355 0.050 685 HD22 ASN 86 2HD2 ASN 86 -5.770 17.429 -0.928 686 H ARG 87 H ARG 87 -11.485 18.104 -0.183 687 HA ARG 87 HA ARG 87 -10.853 17.113 2.544 688 HB2 ARG 87 1HB ARG 87 -11.662 19.355 2.000 689 HB3 ARG 87 2HB ARG 87 -13.233 18.623 1.530 690 HG2 ARG 87 1HG ARG 87 -13.501 19.455 3.805 691 HG3 ARG 87 2HG ARG 87 -13.374 17.730 3.950 692 HD2 ARG 87 1HD ARG 87 -11.028 17.914 4.573 693 HD3 ARG 87 2HD ARG 87 -11.115 19.682 4.374 694 HE ARG 87 HE ARG 87 -12.791 18.116 6.330 695 HH11 ARG 87 1HH1 ARG 87 -10.947 21.106 5.582 696 HH12 ARG 87 2HH1 ARG 87 -11.318 21.805 7.181 697 HH21 ARG 87 1HH2 ARG 87 -13.206 19.082 8.301 698 HH22 ARG 87 2HH2 ARG 87 -12.550 20.702 8.663 Start of MODEL 13 1 H1 ALA 1 1H ALA 1 13.501 19.174 -3.776 2 HA ALA 1 HA ALA 1 12.504 20.885 -1.661 3 HB1 ALA 1 3HB ALA 1 10.847 20.910 -4.160 4 HB2 ALA 1 1HB ALA 1 10.389 21.542 -2.561 5 HB3 ALA 1 2HB ALA 1 11.741 22.277 -3.454 6 H VAL 2 H VAL 2 9.766 19.981 -1.640 7 HA VAL 2 HA VAL 2 8.455 18.295 -0.805 8 HB VAL 2 HB VAL 2 8.494 17.863 -3.121 9 HG11 VAL 2 1HG1 VAL 2 9.340 15.711 -3.907 10 HG12 VAL 2 2HG1 VAL 2 10.674 16.812 -3.493 11 HG13 VAL 2 3HG1 VAL 2 10.235 15.492 -2.384 12 HG21 VAL 2 3HG2 VAL 2 6.812 17.175 -1.701 13 HG22 VAL 2 1HG2 VAL 2 7.190 15.879 -2.860 14 HG23 VAL 2 2HG2 VAL 2 7.745 15.754 -1.174 15 H ASN 3 H ASN 3 9.311 15.440 -0.597 16 HA ASN 3 HA ASN 3 10.197 14.004 0.970 17 HB2 ASN 3 1HB ASN 3 12.618 15.847 1.021 18 HB3 ASN 3 2HB ASN 3 12.574 14.200 1.551 19 HD21 ASN 3 1HD2 ASN 3 13.448 16.189 -0.860 20 HD22 ASN 3 2HD2 ASN 3 13.360 15.065 -2.242 21 H VAL 4 H VAL 4 8.515 14.409 2.407 22 HA VAL 4 HA VAL 4 8.360 16.289 4.591 23 HB VAL 4 HB VAL 4 6.560 14.956 3.808 24 HG11 VAL 4 1HG1 VAL 4 6.206 12.685 4.669 25 HG12 VAL 4 2HG1 VAL 4 7.591 12.739 3.552 26 HG13 VAL 4 3HG1 VAL 4 7.866 12.659 5.308 27 HG21 VAL 4 3HG2 VAL 4 6.386 16.171 5.806 28 HG22 VAL 4 1HG2 VAL 4 5.549 14.609 5.961 29 HG23 VAL 4 2HG2 VAL 4 7.133 14.850 6.736 30 H GLU 5 H GLU 5 10.086 13.172 4.519 31 HA GLU 5 HA GLU 5 12.004 14.187 6.441 32 HB2 GLU 5 1HB GLU 5 11.962 12.089 7.770 33 HB3 GLU 5 2HB GLU 5 10.557 13.183 7.995 34 HG2 GLU 5 1HG GLU 5 9.104 11.545 7.410 35 HG3 GLU 5 2HG GLU 5 10.031 11.117 5.978 36 H LYS 6 H LYS 6 13.401 14.201 4.776 37 HA LYS 6 HA LYS 6 14.258 13.464 2.639 38 HB2 LYS 6 1HB LYS 6 16.353 12.533 3.085 39 HB3 LYS 6 2HB LYS 6 15.903 13.853 4.227 40 HG2 LYS 6 1HG LYS 6 15.479 11.098 5.180 41 HG3 LYS 6 2HG LYS 6 17.181 11.605 4.922 42 HD2 LYS 6 1HD LYS 6 17.053 12.423 7.063 43 HD3 LYS 6 2HD LYS 6 16.117 13.729 6.392 44 HE2 LYS 6 1HE LYS 6 14.028 12.572 6.915 45 HE3 LYS 6 2HE LYS 6 14.911 11.153 7.460 46 HZ1 LYS 6 3HZ LYS 6 15.088 13.842 8.628 47 HZ2 LYS 6 1HZ LYS 6 14.255 12.523 9.255 48 HZ3 LYS 6 2HZ LYS 6 15.932 12.485 9.149 49 H GLN 7 H GLN 7 12.773 12.322 1.440 50 HA GLN 7 HA GLN 7 11.632 9.838 2.171 51 HB2 GLN 7 1HB GLN 7 11.664 11.294 -0.448 52 HB3 GLN 7 2HB GLN 7 10.854 9.751 -0.250 53 HG2 GLN 7 1HG GLN 7 9.488 10.704 1.613 54 HG3 GLN 7 2HG GLN 7 10.304 12.241 1.436 55 HE21 GLN 7 1HE2 GLN 7 8.401 9.819 -0.371 56 HE22 GLN 7 2HE2 GLN 7 7.420 11.038 -1.230 57 H LYS 8 H LYS 8 12.833 8.142 2.653 58 HA LYS 8 HA LYS 8 14.781 7.111 0.720 59 HB2 LYS 8 1HB LYS 8 14.375 6.717 3.677 60 HB3 LYS 8 2HB LYS 8 15.348 5.592 2.746 61 HG2 LYS 8 1HG LYS 8 16.480 7.824 1.833 62 HG3 LYS 8 2HG LYS 8 15.845 8.483 3.346 63 HD2 LYS 8 1HD LYS 8 17.019 6.664 4.623 64 HD3 LYS 8 2HD LYS 8 17.637 6.000 3.131 65 HE2 LYS 8 1HE LYS 8 19.421 7.289 3.921 66 HE3 LYS 8 2HE LYS 8 18.688 8.380 2.762 67 HZ1 LYS 8 3HZ LYS 8 18.227 8.390 5.657 68 HZ2 LYS 8 1HZ LYS 8 19.188 9.455 4.779 69 HZ3 LYS 8 2HZ LYS 8 17.523 9.436 4.545 70 HA PRO 9 HA PRO 9 12.476 3.450 -0.516 71 HB2 PRO 9 1HB PRO 9 14.472 1.736 -0.795 72 HB3 PRO 9 2HB PRO 9 14.037 3.040 -2.005 73 HG2 PRO 9 1HG PRO 9 16.288 3.053 0.115 74 HG3 PRO 9 2HG PRO 9 16.432 3.535 -1.572 75 HD2 PRO 9 1HD PRO 9 15.896 5.435 0.404 76 HD3 PRO 9 2HD PRO 9 15.040 5.559 -1.210 77 H ALA 10 H ALA 10 11.651 1.697 0.272 78 HA ALA 10 HA ALA 10 12.041 1.151 3.205 79 HB1 ALA 10 3HB ALA 10 10.039 0.175 1.167 80 HB2 ALA 10 1HB ALA 10 9.981 -0.090 2.925 81 HB3 ALA 10 2HB ALA 10 9.834 1.557 2.269 82 H VAL 11 H VAL 11 14.279 0.423 1.839 83 HA VAL 11 HA VAL 11 15.735 -1.266 1.299 84 HB VAL 11 HB VAL 11 14.181 -3.194 3.034 85 HG11 VAL 11 1HG1 VAL 11 16.413 -4.017 3.537 86 HG12 VAL 11 2HG1 VAL 11 16.109 -4.091 1.786 87 HG13 VAL 11 3HG1 VAL 11 17.134 -2.800 2.458 88 HG21 VAL 11 3HG2 VAL 11 14.323 -1.138 4.304 89 HG22 VAL 11 1HG2 VAL 11 15.400 -2.408 4.934 90 HG23 VAL 11 2HG2 VAL 11 16.073 -1.059 3.986 91 H SER 12 H SER 12 14.916 -4.203 0.997 92 HA SER 12 HA SER 12 13.288 -4.011 -1.529 93 HB2 SER 12 1HB SER 12 15.431 -5.198 -1.764 94 HB3 SER 12 2HB SER 12 14.994 -6.293 -0.446 95 HG SER 12 HG SER 12 13.147 -6.014 -2.625 96 H VAL 13 H VAL 13 11.422 -4.767 -1.694 97 HA VAL 13 HA VAL 13 9.401 -5.352 -0.090 98 HB VAL 13 HB VAL 13 9.158 -5.318 -2.497 99 HG11 VAL 13 1HG1 VAL 13 9.700 -7.169 -3.906 100 HG12 VAL 13 2HG1 VAL 13 11.182 -6.537 -3.148 101 HG13 VAL 13 3HG1 VAL 13 10.447 -8.043 -2.548 102 HG21 VAL 13 3HG2 VAL 13 7.364 -6.204 -1.246 103 HG22 VAL 13 1HG2 VAL 13 7.557 -6.995 -2.829 104 HG23 VAL 13 2HG2 VAL 13 8.073 -7.833 -1.347 105 H ARG 14 H ARG 14 11.829 -7.837 -0.749 106 HA ARG 14 HA ARG 14 10.852 -10.215 0.397 107 HB2 ARG 14 1HB ARG 14 13.673 -9.065 0.702 108 HB3 ARG 14 2HB ARG 14 13.231 -10.731 0.886 109 HG2 ARG 14 1HG ARG 14 12.697 -10.949 -1.438 110 HG3 ARG 14 2HG ARG 14 12.807 -9.205 -1.691 111 HD2 ARG 14 1HD ARG 14 14.992 -9.552 -2.221 112 HD3 ARG 14 2HD ARG 14 15.281 -9.871 -0.517 113 HE ARG 14 HE ARG 14 14.274 -12.233 -1.824 114 HH11 ARG 14 1HH1 ARG 14 17.256 -10.416 -1.075 115 HH12 ARG 14 2HH1 ARG 14 18.301 -11.757 -1.616 116 HH21 ARG 14 1HH2 ARG 14 15.661 -13.912 -2.396 117 HH22 ARG 14 2HH2 ARG 14 17.428 -13.671 -2.335 118 H LYS 15 H LYS 15 12.226 -7.456 2.187 119 HA LYS 15 HA LYS 15 10.868 -8.524 4.650 120 HB2 LYS 15 1HB LYS 15 13.691 -7.750 4.378 121 HB3 LYS 15 2HB LYS 15 12.848 -7.296 5.861 122 HG2 LYS 15 1HG LYS 15 12.104 -9.663 6.154 123 HG3 LYS 15 2HG LYS 15 12.956 -10.112 4.682 124 HD2 LYS 15 1HD LYS 15 15.101 -9.521 5.666 125 HD3 LYS 15 2HD LYS 15 14.311 -8.846 7.094 126 HE2 LYS 15 1HE LYS 15 13.429 -11.077 7.690 127 HE3 LYS 15 2HE LYS 15 14.136 -11.768 6.230 128 HZ1 LYS 15 3HZ LYS 15 15.619 -10.485 8.421 129 HZ2 LYS 15 1HZ LYS 15 15.493 -12.135 8.126 130 HZ3 LYS 15 2HZ LYS 15 16.293 -11.144 7.028 131 H SER 16 H SER 16 9.611 -6.717 2.872 132 HA SER 16 HA SER 16 9.506 -3.994 4.030 133 HB2 SER 16 1HB SER 16 7.451 -5.514 2.484 134 HB3 SER 16 2HB SER 16 7.316 -3.838 3.029 135 HG SER 16 HG SER 16 9.112 -3.238 1.780 136 H VAL 17 H VAL 17 8.146 -7.060 4.991 137 HA VAL 17 HA VAL 17 6.551 -5.892 7.227 138 HB VAL 17 HB VAL 17 6.688 -8.360 5.746 139 HG11 VAL 17 1HG1 VAL 17 5.736 -9.808 7.462 140 HG12 VAL 17 2HG1 VAL 17 7.422 -9.382 7.844 141 HG13 VAL 17 3HG1 VAL 17 6.085 -8.585 8.707 142 HG21 VAL 17 3HG2 VAL 17 4.855 -6.727 5.692 143 HG22 VAL 17 1HG2 VAL 17 4.270 -8.265 6.369 144 HG23 VAL 17 2HG2 VAL 17 4.624 -6.894 7.448 145 H GLN 18 H GLN 18 7.205 -5.524 9.113 146 HA GLN 18 HA GLN 18 9.682 -6.864 10.215 147 HB2 GLN 18 1HB GLN 18 8.638 -4.147 11.036 148 HB3 GLN 18 2HB GLN 18 10.265 -4.869 11.316 149 HG2 GLN 18 1HG GLN 18 9.228 -3.955 8.639 150 HG3 GLN 18 2HG GLN 18 10.229 -2.962 9.750 151 HE21 GLN 18 1HE2 GLN 18 11.269 -2.996 7.455 152 HE22 GLN 18 2HE2 GLN 18 12.676 -4.090 7.383 153 H ASP 19 H ASP 19 9.371 -5.955 12.860 154 HA ASP 19 HA ASP 19 7.376 -7.751 14.069 155 HB2 ASP 19 1HB ASP 19 9.114 -5.585 15.175 156 HB3 ASP 19 2HB ASP 19 8.022 -6.632 16.137 157 H ASP 20 H ASP 20 5.420 -7.229 13.085 158 HA ASP 20 HA ASP 20 3.369 -6.218 12.879 159 HB2 ASP 20 1HB ASP 20 3.950 -5.712 15.734 160 HB3 ASP 20 2HB ASP 20 2.560 -4.949 15.025 161 H HIS 21 H HIS 21 5.641 -4.718 11.836 162 HA HIS 21 HA HIS 21 4.166 -2.168 11.288 163 HB2 HIS 21 1HB HIS 21 6.085 -0.773 11.546 164 HB3 HIS 21 2HB HIS 21 5.415 -1.433 13.080 165 HD2 HIS 21 HD2 HIS 21 8.589 -1.196 11.065 166 HE1 HIS 21 HE1 HIS 21 9.588 -3.111 14.686 167 HE2 HIS 21 HE2 HIS 21 10.523 -1.934 12.589 168 H ILE 22 H ILE 22 3.993 -1.964 9.278 169 HA ILE 22 HA ILE 22 5.894 -3.266 7.388 170 HB ILE 22 HB ILE 22 3.501 -3.727 7.220 171 HG12 ILE 22 1HG1 ILE 22 4.908 -4.240 5.501 172 HG13 ILE 22 2HG1 ILE 22 3.249 -3.775 4.972 173 HG21 ILE 22 1HG2 ILE 22 1.963 -2.119 6.182 174 HG22 ILE 22 2HG2 ILE 22 2.503 -1.548 7.778 175 HG23 ILE 22 3HG2 ILE 22 3.201 -0.844 6.301 176 HD11 ILE 22 3HD1 ILE 22 5.763 -2.126 4.636 177 HD12 ILE 22 1HD1 ILE 22 4.937 -3.066 3.371 178 HD13 ILE 22 2HD1 ILE 22 4.126 -1.667 4.113 179 H VAL 23 H VAL 23 7.331 -2.151 6.296 180 HA VAL 23 HA VAL 23 7.921 0.700 6.938 181 HB VAL 23 HB VAL 23 9.588 -0.955 7.038 182 HG11 VAL 23 1HG1 VAL 23 10.662 -1.817 5.011 183 HG12 VAL 23 2HG1 VAL 23 9.005 -2.444 5.176 184 HG13 VAL 23 3HG1 VAL 23 9.352 -1.139 4.017 185 HG21 VAL 23 3HG2 VAL 23 10.174 1.303 6.864 186 HG22 VAL 23 1HG2 VAL 23 11.310 0.298 5.935 187 HG23 VAL 23 2HG2 VAL 23 10.067 1.250 5.089 188 H CYS 24 H CYS 24 7.555 2.446 5.915 189 HA CYS 24 HA CYS 24 5.751 2.393 3.630 190 HB2 CYS 24 1HB CYS 24 5.537 4.048 5.455 191 HB3 CYS 24 2HB CYS 24 7.051 4.799 4.916 192 H LEU 25 H LEU 25 6.486 1.923 1.738 193 HA LEU 25 HA LEU 25 9.119 2.398 0.668 194 HB2 LEU 25 1HB LEU 25 6.475 2.040 -0.739 195 HB3 LEU 25 2HB LEU 25 8.096 1.988 -1.509 196 HG LEU 25 HG LEU 25 8.530 -0.002 0.205 197 HD11 LEU 25 1HD1 LEU 25 6.594 -1.303 0.726 198 HD12 LEU 25 2HD1 LEU 25 6.486 0.284 1.523 199 HD13 LEU 25 3HD1 LEU 25 5.520 -0.046 0.065 200 HD21 LEU 25 3HD2 LEU 25 8.507 -0.189 -2.212 201 HD22 LEU 25 1HD2 LEU 25 7.703 -1.560 -1.411 202 HD23 LEU 25 2HD2 LEU 25 6.731 -0.288 -2.187 203 H GLU 26 H GLU 26 10.020 4.091 -0.215 204 HA GLU 26 HA GLU 26 10.500 6.376 -0.743 205 HB2 GLU 26 1HB GLU 26 8.549 5.795 -2.446 206 HB3 GLU 26 2HB GLU 26 7.698 6.981 -1.510 207 HG2 GLU 26 1HG GLU 26 8.753 8.118 -3.292 208 HG3 GLU 26 2HG GLU 26 9.670 8.547 -1.851 209 H CYS 27 H CYS 27 9.633 5.594 2.028 210 HA CYS 27 HA CYS 27 9.297 8.394 2.941 211 HB2 CYS 27 1HB CYS 27 7.038 6.860 2.833 212 HB3 CYS 27 2HB CYS 27 7.594 6.585 4.495 213 H GLY 28 H GLY 28 9.445 4.915 3.993 214 HA2 GLY 28 1HA GLY 28 11.481 3.986 5.102 215 HA3 GLY 28 2HA GLY 28 11.887 5.570 5.700 216 H GLY 29 H GLY 29 9.464 6.411 6.767 217 HA2 GLY 29 1HA GLY 29 9.306 5.237 9.393 218 HA3 GLY 29 2HA GLY 29 8.024 6.160 8.660 219 H SER 30 H SER 30 8.099 3.843 10.419 220 HA SER 30 HA SER 30 6.544 1.781 8.760 221 HB2 SER 30 1HB SER 30 8.438 1.428 11.077 222 HB3 SER 30 2HB SER 30 7.251 0.215 10.602 223 HG SER 30 HG SER 30 8.528 1.084 8.348 224 H PHE 31 H PHE 31 4.892 0.743 9.555 225 HA PHE 31 HA PHE 31 3.419 1.491 12.036 226 HB2 PHE 31 1HB PHE 31 1.511 2.456 10.724 227 HB3 PHE 31 2HB PHE 31 2.918 3.515 11.065 228 HD1 PHE 31 HD1 PHE 31 2.465 0.970 8.277 229 HD2 PHE 31 HD2 PHE 31 2.885 5.084 9.435 230 HE1 PHE 31 HE1 PHE 31 3.360 1.509 6.031 231 HE2 PHE 31 HE2 PHE 31 3.676 5.640 7.154 232 HZ PHE 31 HZ PHE 31 3.859 3.860 5.450 233 H LYS 32 H LYS 32 1.276 0.677 12.148 234 HA LYS 32 HA LYS 32 1.038 -2.025 11.090 235 HB2 LYS 32 1HB LYS 32 -0.865 -0.354 12.688 236 HB3 LYS 32 2HB LYS 32 -1.155 -2.039 12.208 237 HG2 LYS 32 1HG LYS 32 1.040 -2.686 13.365 238 HG3 LYS 32 2HG LYS 32 1.232 -1.053 13.896 239 HD2 LYS 32 1HD LYS 32 -0.880 -1.213 15.145 240 HD3 LYS 32 2HD LYS 32 -0.997 -2.920 14.642 241 HE2 LYS 32 1HE LYS 32 1.275 -3.341 15.677 242 HE3 LYS 32 2HE LYS 32 1.333 -1.676 16.218 243 HZ1 LYS 32 3HZ LYS 32 -0.670 -3.669 17.002 244 HZ2 LYS 32 1HZ LYS 32 0.632 -3.126 17.917 245 HZ3 LYS 32 2HZ LYS 32 -0.616 -2.070 17.522 246 H SER 33 H SER 33 -0.184 1.068 9.914 247 HA SER 33 HA SER 33 -1.592 -0.394 7.620 248 HB2 SER 33 1HB SER 33 -3.296 1.331 7.600 249 HB3 SER 33 2HB SER 33 -3.338 0.371 9.077 250 HG SER 33 HG SER 33 -1.782 2.795 9.012 251 H LEU 34 H LEU 34 -0.770 -0.057 5.785 252 HA LEU 34 HA LEU 34 0.481 2.664 5.164 253 HB2 LEU 34 1HB LEU 34 1.983 0.878 5.050 254 HB3 LEU 34 2HB LEU 34 0.923 0.070 3.827 255 HG LEU 34 HG LEU 34 3.095 1.297 3.038 256 HD11 LEU 34 1HD1 LEU 34 2.038 1.936 0.965 257 HD12 LEU 34 2HD1 LEU 34 1.386 0.381 1.535 258 HD13 LEU 34 3HD1 LEU 34 0.432 1.871 1.729 259 HD21 LEU 34 3HD2 LEU 34 2.816 3.367 4.214 260 HD22 LEU 34 1HD2 LEU 34 2.850 3.582 2.448 261 HD23 LEU 34 2HD2 LEU 34 1.305 3.678 3.326 262 H LYS 35 H LYS 35 -1.983 0.307 4.015 263 HA LYS 35 HA LYS 35 -2.730 1.480 1.598 264 HB2 LYS 35 1HB LYS 35 -4.930 0.655 1.876 265 HB3 LYS 35 2HB LYS 35 -3.583 -0.511 2.139 266 HG2 LYS 35 1HG LYS 35 -5.000 -1.178 3.842 267 HG3 LYS 35 2HG LYS 35 -4.135 0.066 4.713 268 HD2 LYS 35 1HD LYS 35 -5.966 1.690 4.230 269 HD3 LYS 35 2HD LYS 35 -6.823 0.473 3.323 270 HE2 LYS 35 1HE LYS 35 -6.091 0.085 6.257 271 HE3 LYS 35 2HE LYS 35 -7.594 0.779 5.723 272 HZ1 LYS 35 3HZ LYS 35 -6.606 -1.888 5.051 273 HZ2 LYS 35 1HZ LYS 35 -7.793 -1.485 6.173 274 HZ3 LYS 35 2HZ LYS 35 -8.060 -1.216 4.535 275 H ARG 36 H ARG 36 -3.918 2.643 4.817 276 HA ARG 36 HA ARG 36 -5.162 5.127 3.832 277 HB2 ARG 36 1HB ARG 36 -4.572 4.042 6.419 278 HB3 ARG 36 2HB ARG 36 -4.327 5.779 6.285 279 HG2 ARG 36 1HG ARG 36 -6.640 5.498 6.823 280 HG3 ARG 36 2HG ARG 36 -6.632 5.866 5.106 281 HD2 ARG 36 1HD ARG 36 -6.590 3.256 4.782 282 HD3 ARG 36 2HD ARG 36 -7.128 3.208 6.455 283 HE ARG 36 HE ARG 36 -8.565 4.731 4.318 284 HH11 ARG 36 1HH1 ARG 36 -8.721 2.838 7.356 285 HH12 ARG 36 2HH1 ARG 36 -10.489 2.643 7.216 286 HH21 ARG 36 1HH2 ARG 36 -10.774 4.462 4.240 287 HH22 ARG 36 2HH2 ARG 36 -11.611 3.535 5.513 288 H HIS 37 H HIS 37 -2.040 4.898 5.519 289 HA HIS 37 HA HIS 37 -1.142 7.463 5.325 290 HB2 HIS 37 1HB HIS 37 -0.001 5.939 6.638 291 HB3 HIS 37 2HB HIS 37 0.412 4.912 5.229 292 HD1 HIS 37 HD1 HIS 37 1.342 8.156 6.970 293 HD2 HIS 37 HD2 HIS 37 2.646 5.716 3.780 294 HE1 HIS 37 HE1 HIS 37 3.648 9.030 6.255 295 H LEU 38 H LEU 38 -0.583 4.876 2.944 296 HA LEU 38 HA LEU 38 0.873 6.245 0.941 297 HB2 LEU 38 1HB LEU 38 0.067 3.756 1.319 298 HB3 LEU 38 2HB LEU 38 -1.171 4.271 0.118 299 HG LEU 38 HG LEU 38 0.890 3.069 -0.842 300 HD11 LEU 38 1HD1 LEU 38 1.130 4.543 -2.724 301 HD12 LEU 38 2HD1 LEU 38 -0.581 4.436 -2.247 302 HD13 LEU 38 3HD1 LEU 38 0.372 5.877 -1.821 303 HD21 LEU 38 3HD2 LEU 38 2.561 3.932 0.609 304 HD22 LEU 38 1HD2 LEU 38 2.913 4.267 -1.103 305 HD23 LEU 38 2HD2 LEU 38 2.312 5.568 -0.048 306 H THR 39 H THR 39 -2.612 5.437 0.605 307 HA THR 39 HA THR 39 -3.213 7.277 -1.458 308 HB THR 39 HB THR 39 -5.204 6.218 0.578 309 HG1 THR 39 HG1 THR 39 -5.272 4.594 -1.357 310 HG21 THR 39 3HG2 THR 39 -5.471 6.946 -2.344 311 HG22 THR 39 1HG2 THR 39 -6.728 6.261 -1.286 312 HG23 THR 39 2HG2 THR 39 -6.099 7.897 -0.977 313 H THR 40 H THR 40 -3.227 7.871 2.055 314 HA THR 40 HA THR 40 -4.427 10.501 2.003 315 HB THR 40 HB THR 40 -2.431 9.511 4.092 316 HG1 THR 40 HG1 THR 40 -5.248 9.213 4.380 317 HG21 THR 40 3HG2 THR 40 -4.802 11.384 4.261 318 HG22 THR 40 1HG2 THR 40 -3.736 10.879 5.593 319 HG23 THR 40 2HG2 THR 40 -3.091 11.875 4.267 320 H HIS 41 H HIS 41 -0.978 9.478 1.840 321 HA HIS 41 HA HIS 41 -0.161 12.401 1.500 322 HB2 HIS 41 1HB HIS 41 1.509 10.125 2.480 323 HB3 HIS 41 2HB HIS 41 1.965 11.852 2.315 324 HD2 HIS 41 HD2 HIS 41 1.934 10.042 5.023 325 HE1 HIS 41 HE1 HIS 41 -1.084 12.682 6.312 326 HE2 HIS 41 HE2 HIS 41 0.616 10.892 7.064 327 H HIS 42 H HIS 42 1.513 9.369 0.735 328 HA HIS 42 HA HIS 42 2.547 10.089 -1.788 329 HB2 HIS 42 1HB HIS 42 1.738 7.300 -1.117 330 HB3 HIS 42 2HB HIS 42 3.117 7.904 -2.089 331 HD1 HIS 42 HD1 HIS 42 5.314 8.234 -0.927 332 HD2 HIS 42 HD2 HIS 42 2.075 7.747 1.740 333 HE1 HIS 42 HE1 HIS 42 6.308 8.048 1.434 334 H SER 43 H SER 43 -0.788 9.484 -0.905 335 HA SER 43 HA SER 43 -2.766 9.458 -2.147 336 HB2 SER 43 1HB SER 43 -1.149 10.383 -4.526 337 HB3 SER 43 2HB SER 43 -2.899 10.396 -4.367 338 HG SER 43 HG SER 43 -0.996 12.171 -3.410 339 H MET 44 H MET 44 -3.582 8.510 -4.528 340 HA MET 44 HA MET 44 -3.829 6.712 -5.956 341 HB2 MET 44 1HB MET 44 -0.972 6.007 -5.299 342 HB3 MET 44 2HB MET 44 -1.967 5.327 -6.626 343 HG2 MET 44 1HG MET 44 -2.028 7.554 -7.728 344 HG3 MET 44 2HG MET 44 -1.162 8.279 -6.409 345 HE1 MET 44 3HE MET 44 1.100 6.154 -5.701 346 HE2 MET 44 1HE MET 44 2.409 6.719 -6.765 347 HE3 MET 44 2HE MET 44 1.397 7.898 -5.896 348 H THR 45 H THR 45 -4.182 4.492 -6.179 349 HA THR 45 HA THR 45 -5.039 3.078 -3.740 350 HB THR 45 HB THR 45 -5.520 1.199 -5.323 351 HG1 THR 45 HG1 THR 45 -4.791 3.021 -7.397 352 HG21 THR 45 3HG2 THR 45 -6.638 3.917 -6.059 353 HG22 THR 45 1HG2 THR 45 -7.365 2.332 -6.414 354 HG23 THR 45 2HG2 THR 45 -7.214 2.884 -4.729 355 HA PRO 46 HA PRO 46 -1.410 1.022 -2.436 356 HB2 PRO 46 1HB PRO 46 -2.340 -1.354 -1.643 357 HB3 PRO 46 2HB PRO 46 -2.423 0.220 -0.712 358 HG2 PRO 46 1HG PRO 46 -4.625 -1.137 -2.404 359 HG3 PRO 46 2HG PRO 46 -4.814 -0.420 -0.806 360 HD2 PRO 46 1HD PRO 46 -5.357 1.065 -3.111 361 HD3 PRO 46 2HD PRO 46 -4.523 1.875 -1.697 362 H GLU 47 H GLU 47 -3.490 -1.352 -4.340 363 HA GLU 47 HA GLU 47 -1.367 -2.744 -5.441 364 HB2 GLU 47 1HB GLU 47 -4.157 -2.655 -5.904 365 HB3 GLU 47 2HB GLU 47 -3.253 -2.816 -7.426 366 HG2 GLU 47 1HG GLU 47 -1.853 -4.501 -5.653 367 HG3 GLU 47 2HG GLU 47 -3.533 -4.763 -5.213 368 H GLU 48 H GLU 48 -2.764 0.334 -6.733 369 HA GLU 48 HA GLU 48 -1.205 0.411 -9.173 370 HB2 GLU 48 1HB GLU 48 -2.963 2.197 -7.895 371 HB3 GLU 48 2HB GLU 48 -1.431 3.035 -7.841 372 HG2 GLU 48 1HG GLU 48 -2.393 3.692 -9.899 373 HG3 GLU 48 2HG GLU 48 -1.235 2.476 -10.383 374 H TYR 49 H TYR 49 -0.479 1.439 -5.854 375 HA TYR 49 HA TYR 49 2.126 2.534 -6.290 376 HB2 TYR 49 1HB TYR 49 0.631 2.759 -4.251 377 HB3 TYR 49 2HB TYR 49 1.211 1.168 -3.751 378 HD1 TYR 49 HD1 TYR 49 2.645 4.356 -5.121 379 HD2 TYR 49 HD2 TYR 49 3.015 1.153 -2.287 380 HE1 TYR 49 HE1 TYR 49 4.634 5.458 -4.147 381 HE2 TYR 49 HE2 TYR 49 4.975 2.284 -1.270 382 HH TYR 49 HH TYR 49 6.788 4.391 -3.067 383 H ARG 50 H ARG 50 1.205 -0.923 -5.620 384 HA ARG 50 HA ARG 50 3.763 -2.036 -5.367 385 HB2 ARG 50 1HB ARG 50 2.934 -3.968 -5.502 386 HB3 ARG 50 2HB ARG 50 1.440 -3.015 -5.150 387 HG2 ARG 50 1HG ARG 50 0.735 -4.655 -6.707 388 HG3 ARG 50 2HG ARG 50 0.974 -3.254 -7.705 389 HD2 ARG 50 1HD ARG 50 3.093 -4.100 -8.528 390 HD3 ARG 50 2HD ARG 50 3.085 -5.411 -7.365 391 HE ARG 50 HE ARG 50 1.696 -6.604 -8.699 392 HH11 ARG 50 1HH1 ARG 50 1.715 -3.278 -10.015 393 HH12 ARG 50 2HH1 ARG 50 0.601 -3.727 -11.333 394 HH21 ARG 50 1HH2 ARG 50 0.388 -7.072 -10.438 395 HH22 ARG 50 2HH2 ARG 50 -0.088 -5.826 -11.539 396 H GLU 51 H GLU 51 2.056 -1.075 -8.350 397 HA GLU 51 HA GLU 51 3.915 -2.143 -10.300 398 HB2 GLU 51 1HB GLU 51 1.601 -1.241 -10.803 399 HB3 GLU 51 2HB GLU 51 2.218 0.373 -10.569 400 HG2 GLU 51 1HG GLU 51 4.034 -0.350 -12.348 401 HG3 GLU 51 2HG GLU 51 2.842 -1.582 -12.757 402 H LYS 52 H LYS 52 3.808 1.020 -8.645 403 HA LYS 52 HA LYS 52 5.979 2.401 -9.892 404 HB2 LYS 52 1HB LYS 52 4.498 3.513 -8.486 405 HB3 LYS 52 2HB LYS 52 4.850 2.403 -7.113 406 HG2 LYS 52 1HG LYS 52 5.798 4.589 -6.728 407 HG3 LYS 52 2HG LYS 52 7.089 3.364 -6.935 408 HD2 LYS 52 1HD LYS 52 7.376 4.159 -9.290 409 HD3 LYS 52 2HD LYS 52 6.200 5.448 -8.963 410 HE2 LYS 52 1HE LYS 52 7.653 6.337 -7.158 411 HE3 LYS 52 2HE LYS 52 8.803 5.025 -7.406 412 HZ1 LYS 52 3HZ LYS 52 8.063 7.065 -9.390 413 HZ2 LYS 52 1HZ LYS 52 9.482 7.009 -8.490 414 HZ3 LYS 52 2HZ LYS 52 9.159 5.813 -9.628 415 H TRP 53 H TRP 53 6.087 0.208 -7.089 416 HA TRP 53 HA TRP 53 9.070 0.193 -7.185 417 HB2 TRP 53 1HB TRP 53 6.994 -0.831 -5.177 418 HB3 TRP 53 2HB TRP 53 8.698 -1.150 -4.990 419 HD1 TRP 53 HD1 TRP 53 6.194 1.741 -4.925 420 HE1 TRP 53 HE1 TRP 53 7.276 3.744 -3.757 421 HE3 TRP 53 HE3 TRP 53 10.802 -0.221 -4.375 422 HZ2 TRP 53 HZ2 TRP 53 9.855 4.381 -2.795 423 HZ3 TRP 53 HZ3 TRP 53 12.561 1.069 -3.195 424 HH2 TRP 53 HH2 TRP 53 12.101 3.389 -2.447 425 H ASP 54 H ASP 54 7.030 -1.353 -9.020 426 HA ASP 54 HA ASP 54 6.845 -3.382 -10.099 427 HB2 ASP 54 1HB ASP 54 9.824 -3.723 -9.499 428 HB3 ASP 54 2HB ASP 54 8.948 -4.396 -10.831 429 H LEU 55 H LEU 55 6.097 -3.486 -7.369 430 HA LEU 55 HA LEU 55 7.387 -5.446 -5.760 431 HB2 LEU 55 1HB LEU 55 5.348 -3.554 -5.562 432 HB3 LEU 55 2HB LEU 55 4.639 -5.120 -5.051 433 HG LEU 55 HG LEU 55 6.446 -5.366 -3.350 434 HD11 LEU 55 1HD1 LEU 55 7.968 -3.561 -2.876 435 HD12 LEU 55 2HD1 LEU 55 8.241 -4.169 -4.525 436 HD13 LEU 55 3HD1 LEU 55 7.368 -2.640 -4.275 437 HD21 LEU 55 3HD2 LEU 55 4.340 -4.265 -2.772 438 HD22 LEU 55 1HD2 LEU 55 5.721 -3.575 -1.889 439 HD23 LEU 55 2HD2 LEU 55 5.022 -2.700 -3.270 440 HA PRO 56 HA PRO 56 6.020 -9.213 -7.862 441 HB2 PRO 56 1HB PRO 56 7.186 -10.959 -6.138 442 HB3 PRO 56 2HB PRO 56 8.096 -10.115 -7.389 443 HG2 PRO 56 1HG PRO 56 7.812 -9.379 -4.436 444 HG3 PRO 56 2HG PRO 56 9.283 -9.442 -5.404 445 HD2 PRO 56 1HD PRO 56 7.920 -7.027 -5.019 446 HD3 PRO 56 2HD PRO 56 8.663 -7.393 -6.652 447 H VAL 57 H VAL 57 4.501 -10.550 -7.704 448 HA VAL 57 HA VAL 57 2.365 -11.229 -7.207 449 HB VAL 57 HB VAL 57 3.815 -12.729 -6.007 450 HG11 VAL 57 1HG1 VAL 57 3.596 -12.912 -3.574 451 HG12 VAL 57 2HG1 VAL 57 4.459 -11.423 -4.031 452 HG13 VAL 57 3HG1 VAL 57 2.756 -11.345 -3.521 453 HG21 VAL 57 3HG2 VAL 57 1.663 -13.290 -6.677 454 HG22 VAL 57 1HG2 VAL 57 1.976 -13.936 -5.049 455 HG23 VAL 57 2HG2 VAL 57 0.946 -12.499 -5.252 456 H ASP 58 H ASP 58 2.802 -8.344 -6.843 457 HA ASP 58 HA ASP 58 1.802 -6.441 -6.003 458 HB2 ASP 58 1HB ASP 58 -0.531 -6.346 -5.814 459 HB3 ASP 58 2HB ASP 58 0.095 -7.120 -7.315 460 H TYR 59 H TYR 59 3.269 -7.789 -4.127 461 HA TYR 59 HA TYR 59 2.669 -8.588 -1.696 462 HB2 TYR 59 1HB TYR 59 4.948 -8.016 -2.373 463 HB3 TYR 59 2HB TYR 59 4.614 -6.320 -2.324 464 HD1 TYR 59 HD1 TYR 59 5.273 -9.318 -0.346 465 HD2 TYR 59 HD2 TYR 59 4.389 -5.115 -0.258 466 HE1 TYR 59 HE1 TYR 59 5.895 -9.236 2.054 467 HE2 TYR 59 HE2 TYR 59 4.957 -5.042 2.153 468 HH TYR 59 HH TYR 59 5.999 -6.081 3.794 469 HA PRO 60 HA PRO 60 -0.357 -5.987 0.339 470 HB2 PRO 60 1HB PRO 60 -0.369 -7.210 2.726 471 HB3 PRO 60 2HB PRO 60 -1.120 -7.935 1.306 472 HG2 PRO 60 1HG PRO 60 1.644 -8.505 2.484 473 HG3 PRO 60 2HG PRO 60 0.426 -9.665 1.961 474 HD2 PRO 60 1HD PRO 60 2.512 -8.880 0.261 475 HD3 PRO 60 2HD PRO 60 0.845 -9.198 -0.417 476 H MET 61 H MET 61 -0.312 -4.196 1.130 477 HA MET 61 HA MET 61 2.099 -3.199 2.738 478 HB2 MET 61 1HB MET 61 1.589 -1.049 1.860 479 HB3 MET 61 2HB MET 61 2.209 -2.272 0.699 480 HG2 MET 61 1HG MET 61 -0.733 -1.744 0.905 481 HG3 MET 61 2HG MET 61 0.329 -0.621 -0.003 482 HE1 MET 61 3HE MET 61 2.415 -2.288 -1.447 483 HE2 MET 61 1HE MET 61 1.593 -2.718 -2.965 484 HE3 MET 61 2HE MET 61 1.380 -1.095 -2.266 485 H VAL 62 H VAL 62 0.360 -4.561 4.136 486 HA VAL 62 HA VAL 62 -0.669 -2.430 5.950 487 HB VAL 62 HB VAL 62 -2.261 -4.971 5.894 488 HG11 VAL 62 1HG1 VAL 62 -4.027 -3.378 6.613 489 HG12 VAL 62 2HG1 VAL 62 -2.587 -3.248 7.652 490 HG13 VAL 62 3HG1 VAL 62 -2.893 -2.024 6.395 491 HG21 VAL 62 3HG2 VAL 62 -2.352 -4.462 3.560 492 HG22 VAL 62 1HG2 VAL 62 -3.906 -4.145 4.366 493 HG23 VAL 62 2HG2 VAL 62 -2.842 -2.791 3.921 494 H ALA 63 H ALA 63 -1.081 -3.676 8.225 495 HA ALA 63 HA ALA 63 1.228 -4.760 9.418 496 HB1 ALA 63 3HB ALA 63 -1.655 -5.502 9.976 497 HB2 ALA 63 1HB ALA 63 -0.272 -5.703 11.079 498 HB3 ALA 63 2HB ALA 63 -0.802 -4.072 10.604 499 HA PRO 64 HA PRO 64 2.502 -8.457 7.668 500 HB2 PRO 64 1HB PRO 64 3.047 -9.990 9.853 501 HB3 PRO 64 2HB PRO 64 4.131 -8.758 9.046 502 HG2 PRO 64 1HG PRO 64 2.352 -8.420 11.544 503 HG3 PRO 64 2HG PRO 64 3.999 -7.835 11.324 504 HD2 PRO 64 1HD PRO 64 1.953 -6.121 10.896 505 HD3 PRO 64 2HD PRO 64 3.311 -6.108 9.772 506 H ALA 65 H ALA 65 0.172 -9.001 10.316 507 HA ALA 65 HA ALA 65 -1.194 -11.104 8.565 508 HB1 ALA 65 3HB ALA 65 -0.702 -11.285 11.516 509 HB2 ALA 65 1HB ALA 65 -1.676 -12.392 10.519 510 HB3 ALA 65 2HB ALA 65 0.074 -12.249 10.238 511 H TYR 66 H TYR 66 -1.857 -8.406 8.423 512 HA TYR 66 HA TYR 66 -3.993 -7.520 10.211 513 HB2 TYR 66 1HB TYR 66 -2.732 -6.040 8.597 514 HB3 TYR 66 2HB TYR 66 -3.579 -6.785 7.284 515 HD1 TYR 66 HD1 TYR 66 -3.892 -4.629 10.228 516 HD2 TYR 66 HD2 TYR 66 -5.908 -6.350 6.852 517 HE1 TYR 66 HE1 TYR 66 -5.732 -2.990 10.493 518 HE2 TYR 66 HE2 TYR 66 -7.755 -4.721 7.121 519 HH TYR 66 HH TYR 66 -7.347 -1.858 8.919 520 H ALA 67 H ALA 67 -4.106 -9.235 7.161 521 HA ALA 67 HA ALA 67 -6.431 -10.789 7.576 522 HB1 ALA 67 3HB ALA 67 -6.904 -8.269 5.893 523 HB2 ALA 67 1HB ALA 67 -8.031 -9.640 6.024 524 HB3 ALA 67 2HB ALA 67 -7.685 -8.632 7.450 525 H GLU 68 H GLU 68 -7.109 -11.742 5.365 526 HA GLU 68 HA GLU 68 -6.678 -12.579 3.195 527 HB2 GLU 68 1HB GLU 68 -4.933 -10.152 2.961 528 HB3 GLU 68 2HB GLU 68 -5.416 -11.253 1.632 529 HG2 GLU 68 1HG GLU 68 -7.784 -10.582 1.915 530 HG3 GLU 68 2HG GLU 68 -7.395 -9.614 3.307 531 H ALA 69 H ALA 69 -4.191 -12.526 1.748 532 HA ALA 69 HA ALA 69 -2.310 -13.818 1.444 533 HB1 ALA 69 3HB ALA 69 -1.623 -12.595 4.086 534 HB2 ALA 69 1HB ALA 69 -0.482 -13.376 2.966 535 HB3 ALA 69 2HB ALA 69 -1.370 -11.920 2.459 536 H ARG 70 H ARG 70 -3.824 -15.679 1.599 537 HA ARG 70 HA ARG 70 -2.842 -17.664 3.693 538 HB2 ARG 70 1HB ARG 70 -5.207 -16.669 3.960 539 HB3 ARG 70 2HB ARG 70 -5.626 -17.743 2.614 540 HG2 ARG 70 1HG ARG 70 -4.253 -19.535 4.124 541 HG3 ARG 70 2HG ARG 70 -4.754 -18.463 5.414 542 HD2 ARG 70 1HD ARG 70 -7.021 -18.834 5.031 543 HD3 ARG 70 2HD ARG 70 -6.739 -19.459 3.384 544 HE ARG 70 HE ARG 70 -6.297 -21.556 4.260 545 HH11 ARG 70 1HH1 ARG 70 -6.363 -19.307 7.038 546 HH12 ARG 70 2HH1 ARG 70 -5.959 -20.612 8.186 547 HH21 ARG 70 1HH2 ARG 70 -5.835 -23.132 5.761 548 HH22 ARG 70 2HH2 ARG 70 -5.674 -22.709 7.486 549 H SER 71 H SER 71 -4.515 -19.709 2.405 550 HA SER 71 HA SER 71 -2.769 -21.198 0.899 551 HB2 SER 71 1HB SER 71 -4.872 -22.058 1.790 552 HB3 SER 71 2HB SER 71 -5.803 -21.097 0.649 553 HG SER 71 HG SER 71 -5.513 -22.545 -0.861 554 H ARG 72 H ARG 72 -5.331 -19.198 -0.664 555 HA ARG 72 HA ARG 72 -3.740 -19.244 -3.249 556 HB2 ARG 72 1HB ARG 72 -6.330 -19.861 -2.851 557 HB3 ARG 72 2HB ARG 72 -6.498 -18.125 -3.092 558 HG2 ARG 72 1HG ARG 72 -5.259 -18.295 -5.236 559 HG3 ARG 72 2HG ARG 72 -5.074 -20.034 -4.994 560 HD2 ARG 72 1HD ARG 72 -7.614 -20.161 -4.836 561 HD3 ARG 72 2HD ARG 72 -7.635 -18.474 -5.411 562 HE ARG 72 HE ARG 72 -5.917 -19.999 -7.114 563 HH11 ARG 72 1HH1 ARG 72 -9.405 -19.417 -6.573 564 HH12 ARG 72 2HH1 ARG 72 -9.838 -20.114 -8.156 565 HH21 ARG 72 1HH2 ARG 72 -6.540 -20.807 -9.104 566 HH22 ARG 72 2HH2 ARG 72 -8.267 -20.873 -9.545 567 H LEU 73 H LEU 73 -2.821 -17.742 -1.038 568 HA LEU 73 HA LEU 73 -2.145 -15.619 -0.294 569 HB2 LEU 73 1HB LEU 73 -2.087 -15.136 -3.251 570 HB3 LEU 73 2HB LEU 73 -1.378 -14.094 -2.041 571 HG LEU 73 HG LEU 73 -0.710 -17.033 -2.117 572 HD11 LEU 73 1HD1 LEU 73 1.221 -16.413 -3.533 573 HD12 LEU 73 2HD1 LEU 73 -0.314 -16.093 -4.373 574 HD13 LEU 73 3HD1 LEU 73 0.604 -14.749 -3.652 575 HD21 LEU 73 3HD2 LEU 73 -0.064 -15.771 -0.113 576 HD22 LEU 73 1HD2 LEU 73 1.362 -16.242 -1.065 577 HD23 LEU 73 2HD2 LEU 73 0.764 -14.567 -1.129 578 H ALA 74 H ALA 74 -3.364 -13.556 -2.565 579 HA ALA 74 HA ALA 74 -6.196 -13.387 -2.170 580 HB1 ALA 74 3HB ALA 74 -4.711 -11.360 -0.516 581 HB2 ALA 74 1HB ALA 74 -6.446 -11.345 -0.910 582 HB3 ALA 74 2HB ALA 74 -5.771 -12.659 0.082 583 H LYS 75 H LYS 75 -5.095 -13.524 -4.410 584 HA LYS 75 HA LYS 75 -4.100 -11.017 -5.581 585 HB2 LYS 75 1HB LYS 75 -3.586 -13.432 -6.351 586 HB3 LYS 75 2HB LYS 75 -5.147 -13.414 -7.126 587 HG2 LYS 75 1HG LYS 75 -3.361 -11.074 -7.715 588 HG3 LYS 75 2HG LYS 75 -2.913 -12.620 -8.383 589 HD2 LYS 75 1HD LYS 75 -4.787 -12.712 -9.777 590 HD3 LYS 75 2HD LYS 75 -5.777 -11.736 -8.725 591 HE2 LYS 75 1HE LYS 75 -5.157 -10.480 -10.758 592 HE3 LYS 75 2HE LYS 75 -4.458 -9.700 -9.377 593 HZ1 LYS 75 3HZ LYS 75 -3.074 -11.508 -11.201 594 HZ2 LYS 75 1HZ LYS 75 -2.978 -9.830 -11.142 595 HZ3 LYS 75 2HZ LYS 75 -2.396 -10.752 -9.861 596 H GLU 76 H GLU 76 -5.099 -9.684 -6.971 597 HA GLU 76 HA GLU 76 -6.784 -8.500 -8.121 598 HB2 GLU 76 1HB GLU 76 -8.047 -10.756 -8.146 599 HB3 GLU 76 2HB GLU 76 -9.069 -9.906 -6.938 600 HG2 GLU 76 1HG GLU 76 -8.413 -8.750 -9.644 601 HG3 GLU 76 2HG GLU 76 -9.823 -9.815 -9.345 602 H MET 77 H MET 77 -6.647 -6.577 -7.296 603 HA MET 77 HA MET 77 -6.680 -5.849 -4.566 604 HB2 MET 77 1HB MET 77 -6.755 -3.578 -5.253 605 HB3 MET 77 2HB MET 77 -5.563 -4.585 -6.153 606 HG2 MET 77 1HG MET 77 -6.430 -3.177 -7.852 607 HG3 MET 77 2HG MET 77 -7.430 -4.577 -8.042 608 HE1 MET 77 3HE MET 77 -8.726 -2.699 -9.514 609 HE2 MET 77 1HE MET 77 -9.503 -1.276 -8.780 610 HE3 MET 77 2HE MET 77 -7.728 -1.386 -8.846 611 H GLY 78 H GLY 78 -9.454 -6.021 -6.723 612 HA2 GLY 78 1HA GLY 78 -11.671 -6.481 -5.607 613 HA3 GLY 78 2HA GLY 78 -11.267 -5.293 -4.384 614 H LEU 79 H LEU 79 -12.692 -5.926 -7.385 615 HA LEU 79 HA LEU 79 -12.801 -3.262 -8.491 616 HB2 LEU 79 1HB LEU 79 -14.215 -5.823 -9.046 617 HB3 LEU 79 2HB LEU 79 -15.083 -4.387 -9.494 618 HG LEU 79 HG LEU 79 -12.848 -3.659 -10.666 619 HD11 LEU 79 1HD1 LEU 79 -11.517 -5.513 -11.450 620 HD12 LEU 79 2HD1 LEU 79 -11.420 -5.398 -9.677 621 HD13 LEU 79 3HD1 LEU 79 -12.438 -6.647 -10.432 622 HD21 LEU 79 3HD2 LEU 79 -14.947 -4.117 -11.746 623 HD22 LEU 79 1HD2 LEU 79 -13.573 -4.804 -12.644 624 HD23 LEU 79 2HD2 LEU 79 -14.621 -5.865 -11.672 625 H GLY 80 H GLY 80 -14.903 -4.882 -6.135 626 HA2 GLY 80 1HA GLY 80 -16.806 -4.119 -4.925 627 HA3 GLY 80 2HA GLY 80 -16.294 -2.475 -5.232 628 H GLN 81 H GLN 81 -17.761 -5.281 -6.803 629 HA GLN 81 HA GLN 81 -19.566 -3.417 -8.325 630 HB2 GLN 81 1HB GLN 81 -17.932 -4.999 -9.647 631 HB3 GLN 81 2HB GLN 81 -18.973 -6.317 -9.112 632 HG2 GLN 81 1HG GLN 81 -20.942 -4.881 -10.126 633 HG3 GLN 81 2HG GLN 81 -19.681 -4.006 -10.960 634 HE21 GLN 81 1HE2 GLN 81 -21.569 -6.862 -10.783 635 HE22 GLN 81 2HE2 GLN 81 -20.869 -7.679 -12.206 636 H ARG 82 H ARG 82 -21.734 -3.948 -8.389 637 HA ARG 82 HA ARG 82 -23.816 -4.591 -7.502 638 HB2 ARG 82 1HB ARG 82 -22.809 -6.941 -8.132 639 HB3 ARG 82 2HB ARG 82 -22.796 -7.166 -6.402 640 HG2 ARG 82 1HG ARG 82 -25.006 -7.549 -6.411 641 HG3 ARG 82 2HG ARG 82 -25.334 -5.993 -7.154 642 HD2 ARG 82 1HD ARG 82 -26.197 -7.644 -8.671 643 HD3 ARG 82 2HD ARG 82 -24.716 -7.094 -9.416 644 HE ARG 82 HE ARG 82 -23.784 -9.161 -9.157 645 HH11 ARG 82 1HH1 ARG 82 -26.684 -9.052 -7.050 646 HH12 ARG 82 2HH1 ARG 82 -26.612 -10.810 -6.752 647 HH21 ARG 82 1HH2 ARG 82 -23.785 -11.361 -8.738 648 HH22 ARG 82 2HH2 ARG 82 -25.028 -12.070 -7.673 649 H ARG 83 H ARG 83 -25.024 -4.854 -5.563 650 HA ARG 83 HA ARG 83 -23.553 -3.862 -3.079 651 HB2 ARG 83 1HB ARG 83 -25.365 -2.484 -2.539 652 HB3 ARG 83 2HB ARG 83 -24.677 -2.050 -4.142 653 HG2 ARG 83 1HG ARG 83 -27.234 -3.698 -3.923 654 HG3 ARG 83 2HG ARG 83 -27.279 -1.962 -3.880 655 HD2 ARG 83 1HD ARG 83 -26.289 -1.802 -6.062 656 HD3 ARG 83 2HD ARG 83 -26.007 -3.557 -6.104 657 HE ARG 83 HE ARG 83 -28.486 -3.857 -5.959 658 HH11 ARG 83 1HH1 ARG 83 -27.418 -0.572 -6.903 659 HH12 ARG 83 2HH1 ARG 83 -28.884 -0.306 -7.885 660 HH21 ARG 83 1HH2 ARG 83 -30.320 -3.413 -7.142 661 HH22 ARG 83 2HH2 ARG 83 -30.477 -1.863 -8.012 662 H LYS 84 H LYS 84 -24.132 -4.507 -1.165 663 HA LYS 84 HA LYS 84 -26.337 -6.561 -0.844 664 HB2 LYS 84 1HB LYS 84 -24.909 -7.970 0.451 665 HB3 LYS 84 2HB LYS 84 -24.265 -7.759 -1.207 666 HG2 LYS 84 1HG LYS 84 -22.904 -5.816 0.052 667 HG3 LYS 84 2HG LYS 84 -23.134 -6.958 1.416 668 HD2 LYS 84 1HD LYS 84 -21.018 -7.587 0.472 669 HD3 LYS 84 2HD LYS 84 -22.115 -8.752 -0.209 670 HE2 LYS 84 1HE LYS 84 -21.601 -6.236 -1.799 671 HE3 LYS 84 2HE LYS 84 -20.378 -7.467 -1.745 672 HZ1 LYS 84 3HZ LYS 84 -23.150 -7.847 -2.576 673 HZ2 LYS 84 1HZ LYS 84 -21.788 -7.723 -3.556 674 HZ3 LYS 84 2HZ LYS 84 -21.966 -9.039 -2.524 675 H ALA 85 H ALA 85 -27.601 -6.216 0.789 676 HA ALA 85 HA ALA 85 -26.567 -4.800 3.256 677 HB1 ALA 85 3HB ALA 85 -29.119 -4.065 1.837 678 HB2 ALA 85 1HB ALA 85 -28.578 -3.472 3.426 679 HB3 ALA 85 2HB ALA 85 -27.644 -3.077 1.962 680 H ASN 86 H ASN 86 -26.384 -6.887 4.055 681 HA ASN 86 HA ASN 86 -29.007 -7.981 5.075 682 HB2 ASN 86 1HB ASN 86 -28.007 -9.497 3.302 683 HB3 ASN 86 2HB ASN 86 -26.579 -9.676 4.300 684 HD21 ASN 86 1HD2 ASN 86 -29.889 -10.595 3.795 685 HD22 ASN 86 2HD2 ASN 86 -30.029 -11.698 5.191 686 H ARG 87 H ARG 87 -29.129 -8.172 7.156 687 HA ARG 87 HA ARG 87 -26.890 -8.636 8.974 688 HB2 ARG 87 1HB ARG 87 -27.037 -6.557 10.250 689 HB3 ARG 87 2HB ARG 87 -26.315 -6.395 8.614 690 HG2 ARG 87 1HG ARG 87 -28.517 -5.436 7.826 691 HG3 ARG 87 2HG ARG 87 -29.092 -5.470 9.483 692 HD2 ARG 87 1HD ARG 87 -26.565 -3.983 8.645 693 HD3 ARG 87 2HD ARG 87 -28.153 -3.241 8.732 694 HE ARG 87 HE ARG 87 -28.173 -3.494 11.091 695 HH11 ARG 87 1HH1 ARG 87 -25.111 -4.777 9.744 696 HH12 ARG 87 2HH1 ARG 87 -24.258 -4.547 11.294 697 HH21 ARG 87 1HH2 ARG 87 -27.044 -3.312 13.011 698 HH22 ARG 87 2HH2 ARG 87 -25.317 -3.749 13.081 Start of MODEL 14 1 H1 ALA 1 1H ALA 1 6.639 17.750 0.008 2 HA ALA 1 HA ALA 1 4.077 17.263 -1.111 3 HB1 ALA 1 3HB ALA 1 5.809 18.989 -2.857 4 HB2 ALA 1 1HB ALA 1 4.340 18.127 -3.374 5 HB3 ALA 1 2HB ALA 1 4.235 19.397 -2.131 6 H VAL 2 H VAL 2 7.024 17.332 -3.148 7 HA VAL 2 HA VAL 2 7.222 14.302 -2.916 8 HB VAL 2 HB VAL 2 7.946 14.226 -5.272 9 HG11 VAL 2 1HG1 VAL 2 5.620 14.106 -6.058 10 HG12 VAL 2 2HG1 VAL 2 5.772 13.389 -4.436 11 HG13 VAL 2 3HG1 VAL 2 5.076 15.016 -4.628 12 HG21 VAL 2 3HG2 VAL 2 8.377 16.521 -5.754 13 HG22 VAL 2 1HG2 VAL 2 7.122 15.846 -6.820 14 HG23 VAL 2 2HG2 VAL 2 6.665 16.924 -5.480 15 H ASN 3 H ASN 3 8.954 13.695 -2.079 16 HA ASN 3 HA ASN 3 11.198 13.598 -1.259 17 HB2 ASN 3 1HB ASN 3 11.497 12.924 -3.580 18 HB3 ASN 3 2HB ASN 3 11.860 14.570 -4.016 19 HD21 ASN 3 1HD2 ASN 3 13.867 15.320 -3.822 20 HD22 ASN 3 2HD2 ASN 3 15.122 14.592 -2.783 21 H VAL 4 H VAL 4 10.562 15.129 0.331 22 HA VAL 4 HA VAL 4 12.329 17.595 0.208 23 HB VAL 4 HB VAL 4 10.186 18.320 -0.352 24 HG11 VAL 4 1HG1 VAL 4 8.316 18.335 1.234 25 HG12 VAL 4 2HG1 VAL 4 8.722 16.675 0.737 26 HG13 VAL 4 3HG1 VAL 4 9.229 17.273 2.334 27 HG21 VAL 4 3HG2 VAL 4 11.638 19.805 0.692 28 HG22 VAL 4 1HG2 VAL 4 9.971 20.091 1.244 29 HG23 VAL 4 2HG2 VAL 4 11.130 19.258 2.308 30 H GLU 5 H GLU 5 13.698 15.871 1.117 31 HA GLU 5 HA GLU 5 14.824 14.834 2.840 32 HB2 GLU 5 1HB GLU 5 13.976 17.393 4.176 33 HB3 GLU 5 2HB GLU 5 14.974 16.222 4.999 34 HG2 GLU 5 1HG GLU 5 16.686 16.374 3.288 35 HG3 GLU 5 2HG GLU 5 15.655 17.397 2.286 36 H LYS 6 H LYS 6 13.307 13.104 2.658 37 HA LYS 6 HA LYS 6 12.487 11.862 5.137 38 HB2 LYS 6 1HB LYS 6 10.405 13.555 4.071 39 HB3 LYS 6 2HB LYS 6 9.961 11.849 4.352 40 HG2 LYS 6 1HG LYS 6 10.424 11.995 6.687 41 HG3 LYS 6 2HG LYS 6 11.606 13.259 6.488 42 HD2 LYS 6 1HD LYS 6 9.605 14.735 5.784 43 HD3 LYS 6 2HD LYS 6 8.631 13.452 6.564 44 HE2 LYS 6 1HE LYS 6 9.932 13.721 8.676 45 HE3 LYS 6 2HE LYS 6 10.998 14.884 7.918 46 HZ1 LYS 6 3HZ LYS 6 8.123 15.229 8.364 47 HZ2 LYS 6 1HZ LYS 6 9.379 15.918 9.247 48 HZ3 LYS 6 2HZ LYS 6 9.149 16.346 7.638 49 H GLN 7 H GLN 7 11.206 12.133 1.831 50 HA GLN 7 HA GLN 7 10.522 9.447 1.367 51 HB2 GLN 7 1HB GLN 7 11.538 11.440 -0.661 52 HB3 GLN 7 2HB GLN 7 10.531 9.988 -0.973 53 HG2 GLN 7 1HG GLN 7 9.687 12.400 0.644 54 HG3 GLN 7 2HG GLN 7 9.255 12.081 -1.069 55 HE21 GLN 7 1HE2 GLN 7 7.698 10.533 -1.583 56 HE22 GLN 7 2HE2 GLN 7 6.549 9.967 -0.341 57 H LYS 8 H LYS 8 11.842 7.872 1.952 58 HA LYS 8 HA LYS 8 14.427 7.560 0.432 59 HB2 LYS 8 1HB LYS 8 15.501 6.651 2.483 60 HB3 LYS 8 2HB LYS 8 14.961 8.279 2.746 61 HG2 LYS 8 1HG LYS 8 12.801 7.141 3.658 62 HG3 LYS 8 2HG LYS 8 13.896 5.729 3.819 63 HD2 LYS 8 1HD LYS 8 14.802 8.354 4.900 64 HD3 LYS 8 2HD LYS 8 13.521 7.460 5.780 65 HE2 LYS 8 1HE LYS 8 15.607 6.792 6.803 66 HE3 LYS 8 2HE LYS 8 15.163 5.452 5.783 67 HZ1 LYS 8 3HZ LYS 8 17.063 7.564 5.102 68 HZ2 LYS 8 1HZ LYS 8 17.410 5.990 5.583 69 HZ3 LYS 8 2HZ LYS 8 16.635 6.270 4.118 70 HA PRO 9 HA PRO 9 12.987 3.395 -0.567 71 HB2 PRO 9 1HB PRO 9 15.345 2.156 -1.047 72 HB3 PRO 9 2HB PRO 9 14.626 3.294 -2.185 73 HG2 PRO 9 1HG PRO 9 16.812 3.813 -0.114 74 HG3 PRO 9 2HG PRO 9 16.774 4.310 -1.804 75 HD2 PRO 9 1HD PRO 9 15.959 6.048 0.238 76 HD3 PRO 9 2HD PRO 9 15.080 6.044 -1.366 77 H ALA 10 H ALA 10 12.119 2.167 0.819 78 HA ALA 10 HA ALA 10 13.453 1.632 3.480 79 HB1 ALA 10 3HB ALA 10 10.620 1.285 2.508 80 HB2 ALA 10 1HB ALA 10 11.213 1.019 4.165 81 HB3 ALA 10 2HB ALA 10 11.261 2.649 3.454 82 H VAL 11 H VAL 11 14.846 0.352 1.759 83 HA VAL 11 HA VAL 11 15.687 -1.699 1.061 84 HB VAL 11 HB VAL 11 13.939 -2.944 3.165 85 HG11 VAL 11 1HG1 VAL 11 15.751 -4.590 3.353 86 HG12 VAL 11 2HG1 VAL 11 15.053 -4.591 1.717 87 HG13 VAL 11 3HG1 VAL 11 16.619 -3.801 2.015 88 HG21 VAL 11 3HG2 VAL 11 15.195 -1.104 4.173 89 HG22 VAL 11 1HG2 VAL 11 15.845 -2.678 4.691 90 HG23 VAL 11 2HG2 VAL 11 16.702 -1.722 3.458 91 H SER 12 H SER 12 15.017 -3.895 0.079 92 HA SER 12 HA SER 12 12.729 -3.697 -1.764 93 HB2 SER 12 1HB SER 12 14.774 -4.958 -2.345 94 HB3 SER 12 2HB SER 12 14.490 -6.068 -1.011 95 HG SER 12 HG SER 12 12.408 -5.622 -2.952 96 H VAL 13 H VAL 13 10.894 -4.679 -1.830 97 HA VAL 13 HA VAL 13 9.071 -5.325 0.032 98 HB VAL 13 HB VAL 13 8.607 -5.416 -2.378 99 HG11 VAL 13 1HG1 VAL 13 9.148 -7.294 -3.740 100 HG12 VAL 13 2HG1 VAL 13 10.645 -6.525 -3.159 101 HG13 VAL 13 3HG1 VAL 13 10.079 -8.043 -2.421 102 HG21 VAL 13 3HG2 VAL 13 7.000 -6.348 -0.932 103 HG22 VAL 13 1HG2 VAL 13 7.114 -7.206 -2.486 104 HG23 VAL 13 2HG2 VAL 13 7.813 -7.929 -1.017 105 H ARG 14 H ARG 14 11.655 -7.546 -0.855 106 HA ARG 14 HA ARG 14 11.247 -9.978 0.454 107 HB2 ARG 14 1HB ARG 14 13.410 -8.302 -0.399 108 HB3 ARG 14 2HB ARG 14 13.806 -9.024 1.193 109 HG2 ARG 14 1HG ARG 14 12.927 -10.652 -1.239 110 HG3 ARG 14 2HG ARG 14 14.598 -10.402 -0.782 111 HD2 ARG 14 1HD ARG 14 13.675 -11.299 1.585 112 HD3 ARG 14 2HD ARG 14 12.510 -12.082 0.504 113 HE ARG 14 HE ARG 14 14.177 -13.467 -0.307 114 HH11 ARG 14 1HH1 ARG 14 15.739 -10.882 1.618 115 HH12 ARG 14 2HH1 ARG 14 17.357 -11.600 1.403 116 HH21 ARG 14 1HH2 ARG 14 16.238 -14.350 -0.451 117 HH22 ARG 14 2HH2 ARG 14 17.629 -13.501 0.273 118 H LYS 15 H LYS 15 12.274 -6.992 2.113 119 HA LYS 15 HA LYS 15 11.066 -8.087 4.696 120 HB2 LYS 15 1HB LYS 15 13.786 -6.941 4.336 121 HB3 LYS 15 2HB LYS 15 12.891 -6.553 5.772 122 HG2 LYS 15 1HG LYS 15 12.483 -9.001 6.092 123 HG3 LYS 15 2HG LYS 15 13.643 -9.266 4.752 124 HD2 LYS 15 1HD LYS 15 15.387 -7.954 6.011 125 HD3 LYS 15 2HD LYS 15 14.257 -7.637 7.301 126 HE2 LYS 15 1HE LYS 15 14.121 -10.057 7.779 127 HE3 LYS 15 2HE LYS 15 15.309 -10.353 6.491 128 HZ1 LYS 15 3HZ LYS 15 15.718 -8.641 8.861 129 HZ2 LYS 15 1HZ LYS 15 16.347 -10.183 8.636 130 HZ3 LYS 15 2HZ LYS 15 16.842 -8.920 7.643 131 H SER 16 H SER 16 9.402 -6.757 3.012 132 HA SER 16 HA SER 16 9.078 -3.974 4.111 133 HB2 SER 16 1HB SER 16 7.218 -5.641 2.483 134 HB3 SER 16 2HB SER 16 6.910 -4.005 3.072 135 HG SER 16 HG SER 16 8.865 -3.297 1.961 136 H VAL 17 H VAL 17 7.888 -7.205 4.851 137 HA VAL 17 HA VAL 17 6.224 -6.443 7.143 138 HB VAL 17 HB VAL 17 7.365 -8.993 6.031 139 HG11 VAL 17 1HG1 VAL 17 6.134 -10.310 7.690 140 HG12 VAL 17 2HG1 VAL 17 7.424 -9.355 8.458 141 HG13 VAL 17 3HG1 VAL 17 5.730 -8.825 8.583 142 HG21 VAL 17 3HG2 VAL 17 5.352 -8.018 4.978 143 HG22 VAL 17 1HG2 VAL 17 4.946 -9.535 5.814 144 HG23 VAL 17 2HG2 VAL 17 4.538 -7.972 6.560 145 H GLN 18 H GLN 18 6.853 -5.792 9.029 146 HA GLN 18 HA GLN 18 9.379 -6.939 10.243 147 HB2 GLN 18 1HB GLN 18 8.191 -4.263 10.969 148 HB3 GLN 18 2HB GLN 18 9.812 -4.935 11.379 149 HG2 GLN 18 1HG GLN 18 8.910 -3.950 8.677 150 HG3 GLN 18 2HG GLN 18 9.959 -3.078 9.843 151 HE21 GLN 18 1HE2 GLN 18 10.443 -3.754 7.080 152 HE22 GLN 18 2HE2 GLN 18 11.957 -4.701 7.090 153 H ASP 19 H ASP 19 9.034 -6.204 12.840 154 HA ASP 19 HA ASP 19 6.940 -7.877 14.027 155 HB2 ASP 19 1HB ASP 19 8.780 -5.781 15.206 156 HB3 ASP 19 2HB ASP 19 7.645 -6.704 16.141 157 H ASP 20 H ASP 20 5.044 -7.310 12.986 158 HA ASP 20 HA ASP 20 3.011 -6.284 12.742 159 HB2 ASP 20 1HB ASP 20 3.521 -5.831 15.603 160 HB3 ASP 20 2HB ASP 20 2.129 -5.078 14.860 161 H HIS 21 H HIS 21 5.404 -4.706 11.953 162 HA HIS 21 HA HIS 21 3.874 -2.209 11.313 163 HB2 HIS 21 1HB HIS 21 5.802 -0.804 11.560 164 HB3 HIS 21 2HB HIS 21 5.180 -1.485 13.103 165 HD2 HIS 21 HD2 HIS 21 8.290 -1.153 11.036 166 HE1 HIS 21 HE1 HIS 21 9.389 -3.196 14.560 167 HE2 HIS 21 HE2 HIS 21 10.262 -1.897 12.509 168 H ILE 22 H ILE 22 3.916 -1.749 9.314 169 HA ILE 22 HA ILE 22 5.703 -3.241 7.428 170 HB ILE 22 HB ILE 22 3.343 -3.673 7.212 171 HG12 ILE 22 1HG1 ILE 22 4.250 -2.245 4.733 172 HG13 ILE 22 2HG1 ILE 22 5.019 -3.716 5.300 173 HG21 ILE 22 1HG2 ILE 22 1.794 -2.003 6.280 174 HG22 ILE 22 2HG2 ILE 22 2.359 -1.519 7.896 175 HG23 ILE 22 3HG2 ILE 22 3.038 -0.743 6.446 176 HD11 ILE 22 3HD1 ILE 22 2.066 -3.386 4.697 177 HD12 ILE 22 1HD1 ILE 22 3.274 -4.207 3.681 178 HD13 ILE 22 2HD1 ILE 22 2.846 -4.878 5.272 179 H VAL 23 H VAL 23 7.177 -2.196 6.333 180 HA VAL 23 HA VAL 23 7.880 0.599 7.084 181 HB VAL 23 HB VAL 23 9.388 -1.320 7.088 182 HG11 VAL 23 1HG1 VAL 23 10.606 -1.854 5.031 183 HG12 VAL 23 2HG1 VAL 23 8.906 -2.369 4.921 184 HG13 VAL 23 3HG1 VAL 23 9.445 -0.895 4.083 185 HG21 VAL 23 3HG2 VAL 23 10.092 0.846 7.484 186 HG22 VAL 23 1HG2 VAL 23 11.272 0.003 6.452 187 HG23 VAL 23 2HG2 VAL 23 10.169 1.207 5.743 188 H CYS 24 H CYS 24 7.727 2.411 6.024 189 HA CYS 24 HA CYS 24 5.910 2.460 3.742 190 HB2 CYS 24 1HB CYS 24 5.793 4.132 5.556 191 HB3 CYS 24 2HB CYS 24 7.356 4.783 5.025 192 H LEU 25 H LEU 25 6.845 1.652 1.895 193 HA LEU 25 HA LEU 25 9.491 2.284 0.919 194 HB2 LEU 25 1HB LEU 25 6.987 1.418 -0.395 195 HB3 LEU 25 2HB LEU 25 8.428 1.929 -1.347 196 HG LEU 25 HG LEU 25 8.339 -0.528 -1.131 197 HD11 LEU 25 1HD1 LEU 25 10.550 -0.917 -0.200 198 HD12 LEU 25 2HD1 LEU 25 10.550 0.557 -1.198 199 HD13 LEU 25 3HD1 LEU 25 10.531 0.684 0.577 200 HD21 LEU 25 3HD2 LEU 25 6.999 -0.793 0.772 201 HD22 LEU 25 1HD2 LEU 25 8.528 -1.695 0.902 202 HD23 LEU 25 2HD2 LEU 25 8.305 -0.184 1.817 203 H GLU 26 H GLU 26 10.343 3.867 -0.126 204 HA GLU 26 HA GLU 26 10.817 6.021 -0.782 205 HB2 GLU 26 1HB GLU 26 8.878 5.334 -2.372 206 HB3 GLU 26 2HB GLU 26 7.992 6.617 -1.489 207 HG2 GLU 26 1HG GLU 26 8.910 7.644 -3.405 208 HG3 GLU 26 2HG GLU 26 9.948 8.140 -2.030 209 H CYS 27 H CYS 27 9.823 5.526 2.066 210 HA CYS 27 HA CYS 27 9.508 8.407 2.722 211 HB2 CYS 27 1HB CYS 27 7.229 7.031 2.654 212 HB3 CYS 27 2HB CYS 27 7.755 6.592 4.290 213 H GLY 28 H GLY 28 9.564 5.062 4.109 214 HA2 GLY 28 1HA GLY 28 11.667 4.243 5.299 215 HA3 GLY 28 2HA GLY 28 11.916 5.836 5.920 216 H GLY 29 H GLY 29 9.430 6.550 6.836 217 HA2 GLY 29 1HA GLY 29 9.255 5.395 9.473 218 HA3 GLY 29 2HA GLY 29 7.953 6.247 8.707 219 H SER 30 H SER 30 7.881 4.098 10.528 220 HA SER 30 HA SER 30 6.538 1.900 8.857 221 HB2 SER 30 1HB SER 30 8.304 1.725 11.251 222 HB3 SER 30 2HB SER 30 7.068 0.499 10.900 223 HG SER 30 HG SER 30 8.339 1.073 8.559 224 H PHE 31 H PHE 31 4.807 0.929 9.498 225 HA PHE 31 HA PHE 31 3.111 1.843 11.790 226 HB2 PHE 31 1HB PHE 31 1.328 2.624 10.195 227 HB3 PHE 31 2HB PHE 31 2.672 3.746 10.595 228 HD1 PHE 31 HD1 PHE 31 2.530 0.979 7.999 229 HD2 PHE 31 HD2 PHE 31 2.852 5.171 8.847 230 HE1 PHE 31 HE1 PHE 31 3.477 1.358 5.747 231 HE2 PHE 31 HE2 PHE 31 3.728 5.556 6.568 232 HZ PHE 31 HZ PHE 31 3.909 3.672 4.971 233 H LYS 32 H LYS 32 1.031 0.912 11.863 234 HA LYS 32 HA LYS 32 0.922 -1.844 10.953 235 HB2 LYS 32 1HB LYS 32 -1.343 -1.854 11.875 236 HB3 LYS 32 2HB LYS 32 -0.027 -1.374 12.993 237 HG2 LYS 32 1HG LYS 32 -0.726 1.002 12.793 238 HG3 LYS 32 2HG LYS 32 -1.974 0.570 11.649 239 HD2 LYS 32 1HD LYS 32 -1.933 -0.644 14.434 240 HD3 LYS 32 2HD LYS 32 -2.684 0.899 14.103 241 HE2 LYS 32 1HE LYS 32 -4.188 -0.151 12.463 242 HE3 LYS 32 2HE LYS 32 -3.400 -1.710 12.719 243 HZ1 LYS 32 3HZ LYS 32 -4.791 -0.124 14.770 244 HZ2 LYS 32 1HZ LYS 32 -5.377 -1.499 14.001 245 HZ3 LYS 32 2HZ LYS 32 -4.040 -1.609 15.015 246 H SER 33 H SER 33 0.149 1.003 9.215 247 HA SER 33 HA SER 33 -1.359 -0.573 7.189 248 HB2 SER 33 1HB SER 33 -3.244 1.087 7.151 249 HB3 SER 33 2HB SER 33 -3.188 0.015 8.554 250 HG SER 33 HG SER 33 -1.851 2.568 8.663 251 H LEU 34 H LEU 34 0.303 -0.261 5.789 252 HA LEU 34 HA LEU 34 1.278 2.337 4.873 253 HB2 LEU 34 1HB LEU 34 2.378 0.133 4.567 254 HB3 LEU 34 2HB LEU 34 1.221 -0.141 3.229 255 HG LEU 34 HG LEU 34 2.739 2.430 3.219 256 HD11 LEU 34 1HD1 LEU 34 4.689 1.321 2.166 257 HD12 LEU 34 2HD1 LEU 34 4.466 0.769 3.844 258 HD13 LEU 34 3HD1 LEU 34 3.958 -0.269 2.490 259 HD21 LEU 34 3HD2 LEU 34 1.135 1.846 1.412 260 HD22 LEU 34 1HD2 LEU 34 2.799 1.965 0.795 261 HD23 LEU 34 2HD2 LEU 34 2.067 0.368 1.074 262 H LYS 35 H LYS 35 -1.364 0.215 3.754 263 HA LYS 35 HA LYS 35 -2.204 1.481 1.418 264 HB2 LYS 35 1HB LYS 35 -4.415 0.548 1.879 265 HB3 LYS 35 2HB LYS 35 -3.053 -0.600 2.081 266 HG2 LYS 35 1HG LYS 35 -4.206 -1.147 4.028 267 HG3 LYS 35 2HG LYS 35 -3.375 0.235 4.680 268 HD2 LYS 35 1HD LYS 35 -5.454 1.572 3.779 269 HD3 LYS 35 2HD LYS 35 -6.219 -0.027 3.824 270 HE2 LYS 35 1HE LYS 35 -5.219 -0.194 6.254 271 HE3 LYS 35 2HE LYS 35 -5.008 1.542 6.138 272 HZ1 LYS 35 3HZ LYS 35 -7.533 0.092 5.794 273 HZ2 LYS 35 1HZ LYS 35 -7.044 0.972 7.140 274 HZ3 LYS 35 2HZ LYS 35 -7.330 1.758 5.681 275 H ARG 36 H ARG 36 -3.031 2.507 4.731 276 HA ARG 36 HA ARG 36 -4.784 4.713 3.896 277 HB2 ARG 36 1HB ARG 36 -4.849 3.548 6.106 278 HB3 ARG 36 2HB ARG 36 -3.414 4.506 6.542 279 HG2 ARG 36 1HG ARG 36 -4.682 6.620 6.006 280 HG3 ARG 36 2HG ARG 36 -6.087 5.686 5.567 281 HD2 ARG 36 1HD ARG 36 -6.189 4.786 7.872 282 HD3 ARG 36 2HD ARG 36 -4.814 5.838 8.297 283 HE ARG 36 HE ARG 36 -7.600 6.627 7.822 284 HH11 ARG 36 1HH1 ARG 36 -4.255 7.897 8.077 285 HH12 ARG 36 2HH1 ARG 36 -4.839 9.580 8.176 286 HH21 ARG 36 1HH2 ARG 36 -8.235 8.748 8.012 287 HH22 ARG 36 2HH2 ARG 36 -7.018 10.044 8.143 288 H HIS 37 H HIS 37 -1.618 4.826 5.574 289 HA HIS 37 HA HIS 37 -0.909 7.468 5.240 290 HB2 HIS 37 1HB HIS 37 0.360 6.161 6.642 291 HB3 HIS 37 2HB HIS 37 0.779 5.007 5.338 292 HD1 HIS 37 HD1 HIS 37 1.894 8.115 7.033 293 HD2 HIS 37 HD2 HIS 37 2.666 6.070 3.418 294 HE1 HIS 37 HE1 HIS 37 4.069 9.088 6.070 295 H LEU 38 H LEU 38 -0.298 4.778 2.951 296 HA LEU 38 HA LEU 38 1.116 6.083 0.885 297 HB2 LEU 38 1HB LEU 38 0.464 3.647 1.277 298 HB3 LEU 38 2HB LEU 38 -0.996 4.068 0.312 299 HG LEU 38 HG LEU 38 1.001 2.958 -0.930 300 HD11 LEU 38 1HD1 LEU 38 0.663 4.297 -2.909 301 HD12 LEU 38 2HD1 LEU 38 -0.889 4.018 -2.085 302 HD13 LEU 38 3HD1 LEU 38 -0.077 5.596 -1.944 303 HD21 LEU 38 3HD2 LEU 38 2.783 4.140 0.107 304 HD22 LEU 38 1HD2 LEU 38 2.761 4.375 -1.655 305 HD23 LEU 38 2HD2 LEU 38 2.195 5.673 -0.578 306 H THR 39 H THR 39 -2.368 5.353 0.597 307 HA THR 39 HA THR 39 -3.124 7.277 -1.406 308 HB THR 39 HB THR 39 -4.982 6.331 0.757 309 HG1 THR 39 HG1 THR 39 -5.210 4.509 -0.946 310 HG21 THR 39 3HG2 THR 39 -5.253 6.791 -2.229 311 HG22 THR 39 1HG2 THR 39 -6.535 6.265 -1.113 312 HG23 THR 39 2HG2 THR 39 -5.828 7.891 -0.954 313 H THR 40 H THR 40 -2.860 7.761 2.111 314 HA THR 40 HA THR 40 -4.025 10.397 2.207 315 HB THR 40 HB THR 40 -1.991 9.119 4.034 316 HG1 THR 40 HG1 THR 40 -4.848 9.313 4.457 317 HG21 THR 40 3HG2 THR 40 -3.928 11.397 4.579 318 HG22 THR 40 1HG2 THR 40 -2.892 10.588 5.780 319 HG23 THR 40 2HG2 THR 40 -2.157 11.534 4.464 320 H HIS 41 H HIS 41 -0.564 9.416 1.945 321 HA HIS 41 HA HIS 41 0.153 12.324 1.633 322 HB2 HIS 41 1HB HIS 41 1.811 10.035 2.687 323 HB3 HIS 41 2HB HIS 41 2.489 11.581 2.259 324 HD2 HIS 41 HD2 HIS 41 2.571 10.574 5.179 325 HE1 HIS 41 HE1 HIS 41 -0.190 13.661 5.988 326 HE2 HIS 41 HE2 HIS 41 1.615 12.123 6.997 327 H HIS 42 H HIS 42 1.812 9.357 0.575 328 HA HIS 42 HA HIS 42 2.690 10.258 -1.970 329 HB2 HIS 42 1HB HIS 42 2.028 7.410 -1.468 330 HB3 HIS 42 2HB HIS 42 3.386 8.158 -2.367 331 HD1 HIS 42 HD1 HIS 42 5.559 8.452 -1.159 332 HD2 HIS 42 HD2 HIS 42 2.321 7.632 1.425 333 HE1 HIS 42 HE1 HIS 42 6.543 8.104 1.189 334 H SER 43 H SER 43 -0.561 9.481 -0.884 335 HA SER 43 HA SER 43 -2.606 9.319 -2.016 336 HB2 SER 43 1HB SER 43 -1.231 10.541 -4.421 337 HB3 SER 43 2HB SER 43 -2.953 10.407 -4.148 338 HG SER 43 HG SER 43 -1.107 12.237 -3.174 339 H MET 44 H MET 44 -3.481 8.506 -4.386 340 HA MET 44 HA MET 44 -3.674 6.864 -5.999 341 HB2 MET 44 1HB MET 44 -0.836 6.052 -5.422 342 HB3 MET 44 2HB MET 44 -1.859 5.541 -6.805 343 HG2 MET 44 1HG MET 44 -1.830 7.851 -7.692 344 HG3 MET 44 2HG MET 44 -0.940 8.420 -6.307 345 HE1 MET 44 3HE MET 44 1.204 6.074 -5.821 346 HE2 MET 44 1HE MET 44 2.558 6.684 -6.803 347 HE3 MET 44 2HE MET 44 1.606 7.808 -5.804 348 H THR 45 H THR 45 -4.134 4.753 -6.353 349 HA THR 45 HA THR 45 -4.984 3.140 -4.043 350 HB THR 45 HB THR 45 -5.530 1.431 -5.786 351 HG1 THR 45 HG1 THR 45 -4.728 3.458 -7.638 352 HG21 THR 45 3HG2 THR 45 -6.622 4.230 -6.185 353 HG22 THR 45 1HG2 THR 45 -7.393 2.705 -6.682 354 HG23 THR 45 2HG2 THR 45 -7.172 3.069 -4.954 355 HA PRO 46 HA PRO 46 -1.515 0.768 -2.909 356 HB2 PRO 46 1HB PRO 46 -2.651 -1.663 -2.515 357 HB3 PRO 46 2HB PRO 46 -2.653 -0.260 -1.350 358 HG2 PRO 46 1HG PRO 46 -4.875 -1.148 -3.294 359 HG3 PRO 46 2HG PRO 46 -5.065 -0.685 -1.608 360 HD2 PRO 46 1HD PRO 46 -5.503 1.179 -3.524 361 HD3 PRO 46 2HD PRO 46 -4.629 1.650 -2.066 362 H GLU 47 H GLU 47 -3.664 -1.022 -5.174 363 HA GLU 47 HA GLU 47 -1.619 -2.657 -6.353 364 HB2 GLU 47 1HB GLU 47 -4.354 -1.855 -7.214 365 HB3 GLU 47 2HB GLU 47 -3.287 -2.714 -8.325 366 HG2 GLU 47 1HG GLU 47 -3.028 -4.565 -6.734 367 HG3 GLU 47 2HG GLU 47 -3.897 -3.683 -5.489 368 H GLU 48 H GLU 48 -2.763 0.604 -7.357 369 HA GLU 48 HA GLU 48 -1.088 0.894 -9.693 370 HB2 GLU 48 1HB GLU 48 -2.990 2.509 -8.693 371 HB3 GLU 48 2HB GLU 48 -1.698 3.220 -7.790 372 HG2 GLU 48 1HG GLU 48 -1.657 4.556 -9.598 373 HG3 GLU 48 2HG GLU 48 -0.540 3.330 -10.196 374 H TYR 49 H TYR 49 -0.552 1.663 -6.259 375 HA TYR 49 HA TYR 49 2.098 2.702 -6.437 376 HB2 TYR 49 1HB TYR 49 0.608 2.971 -4.475 377 HB3 TYR 49 2HB TYR 49 0.763 1.266 -4.106 378 HD1 TYR 49 HD1 TYR 49 3.045 4.149 -4.909 379 HD2 TYR 49 HD2 TYR 49 2.261 0.684 -2.496 380 HE1 TYR 49 HE1 TYR 49 5.095 4.611 -3.589 381 HE2 TYR 49 HE2 TYR 49 4.316 1.138 -1.178 382 HH TYR 49 HH TYR 49 6.257 4.121 -1.786 383 H ARG 50 H ARG 50 1.027 -0.717 -6.029 384 HA ARG 50 HA ARG 50 3.627 -1.905 -5.574 385 HB2 ARG 50 1HB ARG 50 2.815 -3.849 -5.819 386 HB3 ARG 50 2HB ARG 50 1.327 -2.900 -5.434 387 HG2 ARG 50 1HG ARG 50 0.577 -4.421 -7.061 388 HG3 ARG 50 2HG ARG 50 0.924 -3.020 -8.032 389 HD2 ARG 50 1HD ARG 50 2.917 -3.946 -8.885 390 HD3 ARG 50 2HD ARG 50 2.988 -5.186 -7.624 391 HE ARG 50 HE ARG 50 0.510 -5.474 -8.990 392 HH11 ARG 50 1HH1 ARG 50 3.936 -5.651 -10.007 393 HH12 ARG 50 2HH1 ARG 50 3.616 -7.034 -11.087 394 HH21 ARG 50 1HH2 ARG 50 0.186 -7.167 -10.420 395 HH22 ARG 50 2HH2 ARG 50 1.563 -7.860 -11.316 396 H GLU 51 H GLU 51 2.083 -0.880 -8.658 397 HA GLU 51 HA GLU 51 4.012 -1.911 -10.498 398 HB2 GLU 51 1HB GLU 51 1.589 -0.563 -10.597 399 HB3 GLU 51 2HB GLU 51 2.755 0.553 -11.306 400 HG2 GLU 51 1HG GLU 51 3.524 -1.167 -12.875 401 HG3 GLU 51 2HG GLU 51 2.509 -2.382 -12.102 402 H LYS 52 H LYS 52 3.915 1.241 -8.751 403 HA LYS 52 HA LYS 52 6.125 2.571 -9.875 404 HB2 LYS 52 1HB LYS 52 4.755 3.780 -8.553 405 HB3 LYS 52 2HB LYS 52 4.746 2.546 -7.241 406 HG2 LYS 52 1HG LYS 52 5.860 4.552 -6.531 407 HG3 LYS 52 2HG LYS 52 7.021 3.191 -6.651 408 HD2 LYS 52 1HD LYS 52 7.722 4.145 -8.888 409 HD3 LYS 52 2HD LYS 52 6.749 5.579 -8.496 410 HE2 LYS 52 1HE LYS 52 8.092 5.924 -6.417 411 HE3 LYS 52 2HE LYS 52 9.043 4.489 -6.775 412 HZ1 LYS 52 3HZ LYS 52 8.873 6.901 -8.442 413 HZ2 LYS 52 1HZ LYS 52 10.144 6.459 -7.434 414 HZ3 LYS 52 2HZ LYS 52 9.782 5.528 -8.786 415 H TRP 53 H TRP 53 6.094 0.391 -7.037 416 HA TRP 53 HA TRP 53 9.057 0.251 -7.060 417 HB2 TRP 53 1HB TRP 53 6.877 -0.737 -5.181 418 HB3 TRP 53 2HB TRP 53 8.531 -1.263 -4.987 419 HD1 TRP 53 HD1 TRP 53 6.340 1.839 -4.681 420 HE1 TRP 53 HE1 TRP 53 7.655 3.698 -3.514 421 HE3 TRP 53 HE3 TRP 53 10.780 -0.528 -4.461 422 HZ2 TRP 53 HZ2 TRP 53 10.326 4.060 -2.648 423 HZ3 TRP 53 HZ3 TRP 53 12.725 0.576 -3.385 424 HH2 TRP 53 HH2 TRP 53 12.502 2.886 -2.507 425 H ASP 54 H ASP 54 6.996 -1.225 -9.000 426 HA ASP 54 HA ASP 54 6.772 -3.332 -10.117 427 HB2 ASP 54 1HB ASP 54 9.715 -3.705 -9.566 428 HB3 ASP 54 2HB ASP 54 8.776 -4.290 -10.901 429 H LEU 55 H LEU 55 6.064 -3.322 -7.350 430 HA LEU 55 HA LEU 55 7.358 -5.332 -5.780 431 HB2 LEU 55 1HB LEU 55 5.516 -3.283 -5.472 432 HB3 LEU 55 2HB LEU 55 4.652 -4.770 -4.967 433 HG LEU 55 HG LEU 55 6.472 -5.246 -3.321 434 HD11 LEU 55 1HD1 LEU 55 8.189 -3.623 -2.855 435 HD12 LEU 55 2HD1 LEU 55 8.353 -4.220 -4.523 436 HD13 LEU 55 3HD1 LEU 55 7.653 -2.613 -4.219 437 HD21 LEU 55 3HD2 LEU 55 4.510 -3.924 -2.667 438 HD22 LEU 55 1HD2 LEU 55 5.983 -3.409 -1.811 439 HD23 LEU 55 2HD2 LEU 55 5.353 -2.437 -3.161 440 HA PRO 56 HA PRO 56 5.620 -8.983 -7.851 441 HB2 PRO 56 1HB PRO 56 6.778 -10.824 -6.236 442 HB3 PRO 56 2HB PRO 56 7.654 -10.016 -7.535 443 HG2 PRO 56 1HG PRO 56 7.624 -9.325 -4.558 444 HG3 PRO 56 2HG PRO 56 9.016 -9.457 -5.630 445 HD2 PRO 56 1HD PRO 56 7.841 -6.972 -5.107 446 HD3 PRO 56 2HD PRO 56 8.442 -7.348 -6.794 447 H VAL 57 H VAL 57 4.122 -10.361 -7.584 448 HA VAL 57 HA VAL 57 1.994 -10.993 -6.983 449 HB VAL 57 HB VAL 57 3.437 -12.441 -5.722 450 HG11 VAL 57 1HG1 VAL 57 3.290 -12.454 -3.279 451 HG12 VAL 57 2HG1 VAL 57 4.173 -11.023 -3.860 452 HG13 VAL 57 3HG1 VAL 57 2.489 -10.865 -3.307 453 HG21 VAL 57 3HG2 VAL 57 1.249 -13.002 -6.275 454 HG22 VAL 57 1HG2 VAL 57 1.611 -13.535 -4.617 455 HG23 VAL 57 2HG2 VAL 57 0.601 -12.096 -4.888 456 H ASP 58 H ASP 58 2.492 -8.097 -6.838 457 HA ASP 58 HA ASP 58 1.633 -6.107 -6.030 458 HB2 ASP 58 1HB ASP 58 -0.707 -5.897 -5.865 459 HB3 ASP 58 2HB ASP 58 -0.121 -6.765 -7.326 460 H TYR 59 H TYR 59 2.990 -7.528 -4.064 461 HA TYR 59 HA TYR 59 2.440 -8.209 -1.648 462 HB2 TYR 59 1HB TYR 59 4.683 -7.520 -2.211 463 HB3 TYR 59 2HB TYR 59 4.253 -5.843 -2.240 464 HD1 TYR 59 HD1 TYR 59 4.760 -8.773 -0.044 465 HD2 TYR 59 HD2 TYR 59 4.065 -4.543 -0.297 466 HE1 TYR 59 HE1 TYR 59 5.135 -8.564 2.400 467 HE2 TYR 59 HE2 TYR 59 4.451 -4.330 2.139 468 HH TYR 59 HH TYR 59 5.173 -5.321 3.976 469 HA PRO 60 HA PRO 60 -0.871 -5.884 0.259 470 HB2 PRO 60 1HB PRO 60 -0.737 -7.028 2.711 471 HB3 PRO 60 2HB PRO 60 -1.435 -7.873 1.328 472 HG2 PRO 60 1HG PRO 60 1.389 -8.128 2.473 473 HG3 PRO 60 2HG PRO 60 0.280 -9.419 2.021 474 HD2 PRO 60 1HD PRO 60 2.236 -8.519 0.233 475 HD3 PRO 60 2HD PRO 60 0.577 -8.966 -0.394 476 H MET 61 H MET 61 -1.130 -4.149 1.275 477 HA MET 61 HA MET 61 1.254 -2.967 2.691 478 HB2 MET 61 1HB MET 61 0.172 -0.773 2.059 479 HB3 MET 61 2HB MET 61 1.235 -1.712 0.952 480 HG2 MET 61 1HG MET 61 -1.796 -1.858 0.708 481 HG3 MET 61 2HG MET 61 -0.899 -0.600 -0.071 482 HE1 MET 61 3HE MET 61 1.747 -1.856 -1.108 483 HE2 MET 61 1HE MET 61 1.230 -2.462 -2.700 484 HE3 MET 61 2HE MET 61 0.642 -0.888 -2.114 485 H VAL 62 H VAL 62 -0.522 -4.593 4.051 486 HA VAL 62 HA VAL 62 -1.586 -2.657 6.058 487 HB VAL 62 HB VAL 62 -3.028 -5.298 5.684 488 HG11 VAL 62 1HG1 VAL 62 -4.879 -3.996 6.682 489 HG12 VAL 62 2HG1 VAL 62 -3.431 -3.932 7.713 490 HG13 VAL 62 3HG1 VAL 62 -3.857 -2.540 6.689 491 HG21 VAL 62 3HG2 VAL 62 -3.180 -4.404 3.471 492 HG22 VAL 62 1HG2 VAL 62 -4.742 -4.337 4.321 493 HG23 VAL 62 2HG2 VAL 62 -3.777 -2.855 4.115 494 H ALA 63 H ALA 63 -1.525 -3.636 8.258 495 HA ALA 63 HA ALA 63 0.607 -4.767 9.362 496 HB1 ALA 63 3HB ALA 63 -2.231 -5.676 9.939 497 HB2 ALA 63 1HB ALA 63 -0.846 -5.856 11.041 498 HB3 ALA 63 2HB ALA 63 -1.421 -4.233 10.593 499 HA PRO 64 HA PRO 64 2.029 -8.330 7.433 500 HB2 PRO 64 1HB PRO 64 3.067 -9.790 9.436 501 HB3 PRO 64 2HB PRO 64 3.835 -8.349 8.611 502 HG2 PRO 64 1HG PRO 64 2.305 -8.443 11.293 503 HG3 PRO 64 2HG PRO 64 3.824 -7.611 10.972 504 HD2 PRO 64 1HD PRO 64 1.500 -6.213 10.847 505 HD3 PRO 64 2HD PRO 64 2.756 -5.901 9.648 506 H ALA 65 H ALA 65 0.018 -9.069 10.286 507 HA ALA 65 HA ALA 65 -0.939 -11.497 8.769 508 HB1 ALA 65 3HB ALA 65 -0.697 -11.108 11.761 509 HB2 ALA 65 1HB ALA 65 -1.416 -12.525 10.961 510 HB3 ALA 65 2HB ALA 65 0.307 -12.150 10.726 511 H TYR 66 H TYR 66 -2.031 -8.721 8.649 512 HA TYR 66 HA TYR 66 -4.227 -8.170 10.296 513 HB2 TYR 66 1HB TYR 66 -3.281 -6.588 8.771 514 HB3 TYR 66 2HB TYR 66 -3.869 -7.537 7.369 515 HD1 TYR 66 HD1 TYR 66 -4.960 -5.444 10.265 516 HD2 TYR 66 HD2 TYR 66 -6.075 -7.299 6.558 517 HE1 TYR 66 HE1 TYR 66 -7.130 -4.248 10.323 518 HE2 TYR 66 HE2 TYR 66 -8.249 -6.120 6.625 519 HH TYR 66 HH TYR 66 -8.650 -3.324 8.414 520 H ALA 67 H ALA 67 -4.352 -10.003 7.244 521 HA ALA 67 HA ALA 67 -6.908 -11.356 8.167 522 HB1 ALA 67 3HB ALA 67 -6.466 -10.139 5.455 523 HB2 ALA 67 1HB ALA 67 -7.840 -11.152 5.956 524 HB3 ALA 67 2HB ALA 67 -7.580 -9.566 6.719 525 H GLU 68 H GLU 68 -4.432 -12.361 8.574 526 HA GLU 68 HA GLU 68 -2.957 -14.084 8.216 527 HB2 GLU 68 1HB GLU 68 -3.861 -16.193 8.000 528 HB3 GLU 68 2HB GLU 68 -5.038 -15.162 8.876 529 HG2 GLU 68 1HG GLU 68 -6.180 -14.893 6.590 530 HG3 GLU 68 2HG GLU 68 -5.196 -16.313 6.101 531 H ALA 69 H ALA 69 -3.022 -12.231 5.960 532 HA ALA 69 HA ALA 69 -2.844 -11.980 3.665 533 HB1 ALA 69 3HB ALA 69 -0.726 -14.029 4.185 534 HB2 ALA 69 1HB ALA 69 -0.846 -12.993 2.743 535 HB3 ALA 69 2HB ALA 69 -0.614 -12.260 4.348 536 H ARG 70 H ARG 70 -5.066 -13.587 4.126 537 HA ARG 70 HA ARG 70 -5.246 -16.132 2.974 538 HB2 ARG 70 1HB ARG 70 -6.919 -15.321 4.352 539 HB3 ARG 70 2HB ARG 70 -7.254 -13.931 3.268 540 HG2 ARG 70 1HG ARG 70 -8.412 -15.338 1.690 541 HG3 ARG 70 2HG ARG 70 -7.776 -16.804 2.378 542 HD2 ARG 70 1HD ARG 70 -9.484 -15.021 4.079 543 HD3 ARG 70 2HD ARG 70 -10.209 -16.082 2.852 544 HE ARG 70 HE ARG 70 -8.823 -16.883 5.341 545 HH11 ARG 70 1HH1 ARG 70 -10.358 -18.006 2.303 546 HH12 ARG 70 2HH1 ARG 70 -10.310 -19.711 2.829 547 HH21 ARG 70 1HH2 ARG 70 -8.839 -19.044 5.934 548 HH22 ARG 70 2HH2 ARG 70 -9.482 -20.277 4.817 549 H SER 71 H SER 71 -5.478 -13.065 1.267 550 HA SER 71 HA SER 71 -4.727 -14.011 -1.299 551 HB2 SER 71 1HB SER 71 -6.853 -15.238 -1.340 552 HB3 SER 71 2HB SER 71 -7.741 -13.725 -1.126 553 HG SER 71 HG SER 71 -6.678 -12.930 -3.111 554 H ARG 72 H ARG 72 -7.511 -11.958 -1.388 555 HA ARG 72 HA ARG 72 -6.009 -9.519 -1.953 556 HB2 ARG 72 1HB ARG 72 -8.998 -10.193 -1.655 557 HB3 ARG 72 2HB ARG 72 -8.437 -8.612 -2.135 558 HG2 ARG 72 1HG ARG 72 -7.465 -9.454 -4.141 559 HG3 ARG 72 2HG ARG 72 -7.691 -11.137 -3.615 560 HD2 ARG 72 1HD ARG 72 -10.050 -11.008 -3.824 561 HD3 ARG 72 2HD ARG 72 -10.038 -9.230 -3.845 562 HE ARG 72 HE ARG 72 -9.275 -11.056 -6.089 563 HH11 ARG 72 1HH1 ARG 72 -9.304 -7.692 -4.931 564 HH12 ARG 72 2HH1 ARG 72 -9.520 -7.031 -6.573 565 HH21 ARG 72 1HH2 ARG 72 -9.376 -10.150 -8.156 566 HH22 ARG 72 2HH2 ARG 72 -9.556 -8.386 -8.349 567 H LEU 73 H LEU 73 -5.993 -10.706 0.877 568 HA LEU 73 HA LEU 73 -6.317 -10.205 3.090 569 HB2 LEU 73 1HB LEU 73 -5.238 -7.675 2.070 570 HB3 LEU 73 2HB LEU 73 -5.861 -7.700 3.691 571 HG LEU 73 HG LEU 73 -4.413 -9.810 4.076 572 HD11 LEU 73 1HD1 LEU 73 -2.508 -10.061 2.628 573 HD12 LEU 73 2HD1 LEU 73 -4.007 -10.376 1.721 574 HD13 LEU 73 3HD1 LEU 73 -3.148 -8.831 1.512 575 HD21 LEU 73 3HD2 LEU 73 -3.987 -7.648 5.025 576 HD22 LEU 73 1HD2 LEU 73 -2.490 -8.460 4.510 577 HD23 LEU 73 2HD2 LEU 73 -3.167 -7.137 3.531 578 H ALA 74 H ALA 74 -7.770 -7.230 1.821 579 HA ALA 74 HA ALA 74 -10.517 -7.709 2.527 580 HB1 ALA 74 3HB ALA 74 -8.903 -6.088 4.548 581 HB2 ALA 74 1HB ALA 74 -10.677 -6.233 4.516 582 HB3 ALA 74 2HB ALA 74 -9.673 -7.664 4.851 583 H LYS 75 H LYS 75 -11.578 -5.331 2.803 584 HA LYS 75 HA LYS 75 -12.165 -3.438 1.575 585 HB2 LYS 75 1HB LYS 75 -10.691 -1.567 1.929 586 HB3 LYS 75 2HB LYS 75 -11.112 -2.528 3.381 587 HG2 LYS 75 1HG LYS 75 -8.759 -3.692 2.885 588 HG3 LYS 75 2HG LYS 75 -8.426 -2.206 2.023 589 HD2 LYS 75 1HD LYS 75 -8.588 -0.891 3.956 590 HD3 LYS 75 2HD LYS 75 -9.505 -2.119 4.839 591 HE2 LYS 75 1HE LYS 75 -6.596 -2.487 3.949 592 HE3 LYS 75 2HE LYS 75 -7.076 -1.980 5.555 593 HZ1 LYS 75 3HZ LYS 75 -7.816 -4.504 4.258 594 HZ2 LYS 75 1HZ LYS 75 -6.652 -4.279 5.452 595 HZ3 LYS 75 2HZ LYS 75 -8.277 -4.018 5.801 596 H GLU 76 H GLU 76 -12.244 -4.705 -0.369 597 HA GLU 76 HA GLU 76 -10.104 -4.990 -2.290 598 HB2 GLU 76 1HB GLU 76 -12.332 -6.312 -1.994 599 HB3 GLU 76 2HB GLU 76 -13.052 -5.055 -2.975 600 HG2 GLU 76 1HG GLU 76 -11.558 -5.542 -4.823 601 HG3 GLU 76 2HG GLU 76 -10.609 -6.647 -3.835 602 H MET 77 H MET 77 -9.074 -3.447 -3.077 603 HA MET 77 HA MET 77 -8.371 -1.455 -3.948 604 HB2 MET 77 1HB MET 77 -9.287 -0.569 -5.835 605 HB3 MET 77 2HB MET 77 -9.337 -2.366 -5.871 606 HG2 MET 77 1HG MET 77 -11.742 -2.274 -5.380 607 HG3 MET 77 2HG MET 77 -11.665 -0.484 -5.443 608 HE1 MET 77 3HE MET 77 -11.807 -3.817 -7.415 609 HE2 MET 77 1HE MET 77 -11.273 -3.354 -9.048 610 HE3 MET 77 2HE MET 77 -10.109 -3.369 -7.702 611 H GLY 78 H GLY 78 -9.865 -1.308 -1.426 612 HA2 GLY 78 1HA GLY 78 -10.106 0.683 -0.030 613 HA3 GLY 78 2HA GLY 78 -10.604 1.618 -1.450 614 H LEU 79 H LEU 79 -12.427 2.361 -0.656 615 HA LEU 79 HA LEU 79 -14.852 0.603 -0.689 616 HB2 LEU 79 1HB LEU 79 -14.357 2.313 1.731 617 HB3 LEU 79 2HB LEU 79 -15.744 1.229 1.377 618 HG LEU 79 HG LEU 79 -13.514 -0.452 1.331 619 HD11 LEU 79 1HD1 LEU 79 -12.411 0.000 3.493 620 HD12 LEU 79 2HD1 LEU 79 -12.158 1.348 2.359 621 HD13 LEU 79 3HD1 LEU 79 -13.354 1.500 3.667 622 HD21 LEU 79 3HD2 LEU 79 -15.701 -1.044 2.118 623 HD22 LEU 79 1HD2 LEU 79 -14.456 -1.400 3.339 624 HD23 LEU 79 2HD2 LEU 79 -15.509 0.022 3.530 625 H GLY 80 H GLY 80 -13.596 3.847 0.156 626 HA2 GLY 80 1HA GLY 80 -14.215 5.999 -0.634 627 HA3 GLY 80 2HA GLY 80 -15.109 5.242 -1.940 628 H GLN 81 H GLN 81 -17.219 4.874 -1.815 629 HA GLN 81 HA GLN 81 -18.648 6.103 0.535 630 HB2 GLN 81 1HB GLN 81 -20.107 7.283 -0.983 631 HB3 GLN 81 2HB GLN 81 -18.387 7.763 -1.135 632 HG2 GLN 81 1HG GLN 81 -18.436 5.985 -3.128 633 HG3 GLN 81 2HG GLN 81 -20.162 6.349 -3.114 634 HE21 GLN 81 1HE2 GLN 81 -20.872 8.550 -3.478 635 HE22 GLN 81 2HE2 GLN 81 -19.802 9.681 -4.350 636 H ARG 82 H ARG 82 -18.269 3.286 -0.008 637 HA ARG 82 HA ARG 82 -21.154 2.481 -0.368 638 HB2 ARG 82 1HB ARG 82 -20.618 0.542 -1.537 639 HB3 ARG 82 2HB ARG 82 -19.986 2.001 -2.371 640 HG2 ARG 82 1HG ARG 82 -17.678 1.355 -1.344 641 HG3 ARG 82 2HG ARG 82 -18.382 -0.185 -0.964 642 HD2 ARG 82 1HD ARG 82 -17.357 -0.543 -2.990 643 HD3 ARG 82 2HD ARG 82 -19.040 -0.288 -3.472 644 HE ARG 82 HE ARG 82 -18.071 2.250 -3.609 645 HH11 ARG 82 1HH1 ARG 82 -16.713 -0.798 -4.912 646 HH12 ARG 82 2HH1 ARG 82 -15.935 0.048 -6.276 647 HH21 ARG 82 1HH2 ARG 82 -17.023 3.240 -5.343 648 HH22 ARG 82 2HH2 ARG 82 -16.103 2.253 -6.510 649 H ARG 83 H ARG 83 -18.021 1.346 0.897 650 HA ARG 83 HA ARG 83 -17.398 0.103 2.728 651 HB2 ARG 83 1HB ARG 83 -18.092 0.765 4.843 652 HB3 ARG 83 2HB ARG 83 -17.532 2.055 3.723 653 HG2 ARG 83 1HG ARG 83 -19.899 2.806 3.455 654 HG3 ARG 83 2HG ARG 83 -20.437 1.560 4.549 655 HD2 ARG 83 1HD ARG 83 -20.308 3.482 5.867 656 HD3 ARG 83 2HD ARG 83 -18.827 2.618 6.279 657 HE ARG 83 HE ARG 83 -18.266 4.343 4.083 658 HH11 ARG 83 1HH1 ARG 83 -19.001 4.570 7.584 659 HH12 ARG 83 2HH1 ARG 83 -18.164 6.138 7.728 660 HH21 ARG 83 1HH2 ARG 83 -17.257 6.329 4.350 661 HH22 ARG 83 2HH2 ARG 83 -17.210 7.101 5.958 662 H LYS 84 H LYS 84 -20.393 0.024 4.402 663 HA LYS 84 HA LYS 84 -21.703 -2.123 2.972 664 HB2 LYS 84 1HB LYS 84 -19.867 -3.357 4.425 665 HB3 LYS 84 2HB LYS 84 -20.922 -3.004 5.772 666 HG2 LYS 84 1HG LYS 84 -21.461 -5.215 4.910 667 HG3 LYS 84 2HG LYS 84 -22.809 -4.170 4.538 668 HD2 LYS 84 1HD LYS 84 -20.955 -4.072 2.310 669 HD3 LYS 84 2HD LYS 84 -21.279 -5.738 2.719 670 HE2 LYS 84 1HE LYS 84 -23.500 -3.692 2.326 671 HE3 LYS 84 2HE LYS 84 -22.875 -4.714 1.050 672 HZ1 LYS 84 3HZ LYS 84 -24.080 -5.641 3.555 673 HZ2 LYS 84 1HZ LYS 84 -24.794 -5.617 2.034 674 HZ3 LYS 84 2HZ LYS 84 -23.480 -6.623 2.330 675 H ALA 85 H ALA 85 -23.827 -1.956 3.394 676 HA ALA 85 HA ALA 85 -24.680 0.096 5.456 677 HB1 ALA 85 3HB ALA 85 -25.976 -0.714 2.853 678 HB2 ALA 85 1HB ALA 85 -26.583 0.501 4.003 679 HB3 ALA 85 2HB ALA 85 -25.039 0.768 3.160 680 H ASN 86 H ASN 86 -25.167 -0.872 7.181 681 HA ASN 86 HA ASN 86 -26.209 -2.198 8.792 682 HB2 ASN 86 1HB ASN 86 -28.355 -1.640 7.611 683 HB3 ASN 86 2HB ASN 86 -28.209 -3.101 6.696 684 HD21 ASN 86 1HD2 ASN 86 -30.026 -3.985 7.428 685 HD22 ASN 86 2HD2 ASN 86 -30.186 -4.596 9.096 686 H ARG 87 H ARG 87 -25.353 -3.886 9.669 687 HA ARG 87 HA ARG 87 -23.785 -5.598 9.845 688 HB2 ARG 87 1HB ARG 87 -24.511 -7.775 9.132 689 HB3 ARG 87 2HB ARG 87 -25.557 -6.817 10.234 690 HG2 ARG 87 1HG ARG 87 -27.142 -6.401 8.427 691 HG3 ARG 87 2HG ARG 87 -26.079 -7.142 7.246 692 HD2 ARG 87 1HD ARG 87 -26.472 -9.312 8.061 693 HD3 ARG 87 2HD ARG 87 -27.032 -8.735 9.631 694 HE ARG 87 HE ARG 87 -29.138 -8.627 8.799 695 HH11 ARG 87 1HH1 ARG 87 -27.032 -8.450 5.893 696 HH12 ARG 87 2HH1 ARG 87 -28.448 -8.341 4.815 697 HH21 ARG 87 1HH2 ARG 87 -30.821 -8.501 7.382 698 HH22 ARG 87 2HH2 ARG 87 -30.519 -8.371 5.629 Start of MODEL 15 1 H1 ALA 1 1H ALA 1 12.082 16.786 5.257 2 HA ALA 1 HA ALA 1 9.612 17.541 6.421 3 HB1 ALA 1 3HB ALA 1 10.766 19.648 4.587 4 HB2 ALA 1 1HB ALA 1 9.085 19.588 5.165 5 HB3 ALA 1 2HB ALA 1 10.416 19.806 6.325 6 H VAL 2 H VAL 2 11.108 17.740 3.097 7 HA VAL 2 HA VAL 2 9.214 15.648 2.195 8 HB VAL 2 HB VAL 2 8.199 17.703 1.589 9 HG11 VAL 2 1HG1 VAL 2 9.132 19.175 -0.138 10 HG12 VAL 2 2HG1 VAL 2 10.121 19.216 1.342 11 HG13 VAL 2 3HG1 VAL 2 10.675 18.289 -0.072 12 HG21 VAL 2 3HG2 VAL 2 7.788 15.783 0.293 13 HG22 VAL 2 1HG2 VAL 2 7.850 17.223 -0.749 14 HG23 VAL 2 2HG2 VAL 2 9.224 16.092 -0.712 15 H ASN 3 H ASN 3 10.319 14.008 1.356 16 HA ASN 3 HA ASN 3 12.090 12.642 0.675 17 HB2 ASN 3 1HB ASN 3 12.504 14.971 -1.208 18 HB3 ASN 3 2HB ASN 3 13.224 13.395 -1.367 19 HD21 ASN 3 1HD2 ASN 3 11.157 15.097 -2.841 20 HD22 ASN 3 2HD2 ASN 3 9.903 13.925 -3.151 21 H VAL 4 H VAL 4 13.151 12.602 2.714 22 HA VAL 4 HA VAL 4 14.957 14.402 3.728 23 HB VAL 4 HB VAL 4 15.975 12.514 4.981 24 HG11 VAL 4 1HG1 VAL 4 13.940 12.201 6.312 25 HG12 VAL 4 2HG1 VAL 4 14.103 13.900 5.806 26 HG13 VAL 4 3HG1 VAL 4 12.950 12.830 4.974 27 HG21 VAL 4 3HG2 VAL 4 15.702 10.708 3.446 28 HG22 VAL 4 1HG2 VAL 4 14.876 10.394 4.991 29 HG23 VAL 4 2HG2 VAL 4 13.931 10.853 3.556 30 H GLU 5 H GLU 5 15.797 11.715 1.440 31 HA GLU 5 HA GLU 5 17.969 13.364 0.388 32 HB2 GLU 5 1HB GLU 5 18.813 11.910 2.409 33 HB3 GLU 5 2HB GLU 5 18.641 10.548 1.327 34 HG2 GLU 5 1HG GLU 5 20.232 11.439 -0.211 35 HG3 GLU 5 2HG GLU 5 20.237 13.014 0.602 36 H LYS 6 H LYS 6 16.327 13.377 -1.261 37 HA LYS 6 HA LYS 6 15.104 12.734 -3.111 38 HB2 LYS 6 1HB LYS 6 17.604 12.682 -3.797 39 HB3 LYS 6 2HB LYS 6 17.410 10.948 -3.830 40 HG2 LYS 6 1HG LYS 6 16.900 11.545 -6.005 41 HG3 LYS 6 2HG LYS 6 15.287 11.455 -5.295 42 HD2 LYS 6 1HD LYS 6 15.422 13.970 -4.873 43 HD3 LYS 6 2HD LYS 6 16.922 13.989 -5.784 44 HE2 LYS 6 1HE LYS 6 15.630 12.917 -7.712 45 HE3 LYS 6 2HE LYS 6 14.160 13.253 -6.788 46 HZ1 LYS 6 3HZ LYS 6 16.175 15.239 -7.608 47 HZ2 LYS 6 1HZ LYS 6 14.667 15.000 -8.311 48 HZ3 LYS 6 2HZ LYS 6 14.778 15.559 -6.730 49 H GLN 7 H GLN 7 13.398 11.713 -1.917 50 HA GLN 7 HA GLN 7 11.999 10.054 -1.163 51 HB2 GLN 7 1HB GLN 7 13.332 8.479 -3.375 52 HB3 GLN 7 2HB GLN 7 11.875 8.012 -2.521 53 HG2 GLN 7 1HG GLN 7 10.653 9.952 -3.404 54 HG3 GLN 7 2HG GLN 7 12.099 10.658 -4.046 55 HE21 GLN 7 1HE2 GLN 7 10.806 10.733 -5.979 56 HE22 GLN 7 2HE2 GLN 7 10.911 9.336 -7.011 57 H LYS 8 H LYS 8 11.873 7.896 0.034 58 HA LYS 8 HA LYS 8 14.577 6.987 0.893 59 HB2 LYS 8 1HB LYS 8 13.241 8.349 2.535 60 HB3 LYS 8 2HB LYS 8 12.271 6.888 2.752 61 HG2 LYS 8 1HG LYS 8 14.139 5.623 3.512 62 HG3 LYS 8 2HG LYS 8 15.304 6.787 2.872 63 HD2 LYS 8 1HD LYS 8 14.160 8.469 4.534 64 HD3 LYS 8 2HD LYS 8 13.564 7.003 5.329 65 HE2 LYS 8 1HE LYS 8 15.780 6.228 5.797 66 HE3 LYS 8 2HE LYS 8 16.509 7.340 4.638 67 HZ1 LYS 8 3HZ LYS 8 15.144 8.101 7.130 68 HZ2 LYS 8 1HZ LYS 8 16.805 8.071 6.867 69 HZ3 LYS 8 2HZ LYS 8 15.840 9.161 6.026 70 HA PRO 9 HA PRO 9 12.964 3.037 -0.817 71 HB2 PRO 9 1HB PRO 9 15.376 1.944 -1.281 72 HB3 PRO 9 2HB PRO 9 14.661 3.118 -2.386 73 HG2 PRO 9 1HG PRO 9 16.748 3.597 -0.205 74 HG3 PRO 9 2HG PRO 9 16.760 4.178 -1.869 75 HD2 PRO 9 1HD PRO 9 15.799 5.767 0.236 76 HD3 PRO 9 2HD PRO 9 15.032 5.851 -1.417 77 H ALA 10 H ALA 10 11.969 2.301 1.003 78 HA ALA 10 HA ALA 10 13.422 1.318 3.324 79 HB1 ALA 10 3HB ALA 10 10.539 1.160 2.449 80 HB2 ALA 10 1HB ALA 10 11.184 0.703 4.044 81 HB3 ALA 10 2HB ALA 10 11.268 2.396 3.502 82 H VAL 11 H VAL 11 14.802 0.101 1.742 83 HA VAL 11 HA VAL 11 15.633 -1.847 0.748 84 HB VAL 11 HB VAL 11 15.398 -3.871 1.872 85 HG11 VAL 11 1HG1 VAL 11 16.585 -3.064 3.861 86 HG12 VAL 11 2HG1 VAL 11 17.119 -2.181 2.412 87 HG13 VAL 11 3HG1 VAL 11 15.997 -1.412 3.559 88 HG21 VAL 11 3HG2 VAL 11 13.207 -3.889 2.697 89 HG22 VAL 11 1HG2 VAL 11 14.407 -4.074 3.997 90 HG23 VAL 11 2HG2 VAL 11 13.565 -2.522 3.779 91 H SER 12 H SER 12 14.444 -4.395 0.551 92 HA SER 12 HA SER 12 12.456 -4.033 -1.619 93 HB2 SER 12 1HB SER 12 14.443 -5.271 -2.361 94 HB3 SER 12 2HB SER 12 14.441 -6.274 -0.936 95 HG SER 12 HG SER 12 13.605 -7.273 -2.857 96 H VAL 13 H VAL 13 10.656 -5.359 -1.658 97 HA VAL 13 HA VAL 13 8.944 -5.789 0.338 98 HB VAL 13 HB VAL 13 8.403 -6.076 -2.057 99 HG11 VAL 13 1HG1 VAL 13 8.797 -8.125 -3.207 100 HG12 VAL 13 2HG1 VAL 13 10.351 -7.370 -2.780 101 HG13 VAL 13 3HG1 VAL 13 9.751 -8.761 -1.845 102 HG21 VAL 13 3HG2 VAL 13 6.829 -6.756 -0.433 103 HG22 VAL 13 1HG2 VAL 13 6.823 -7.795 -1.876 104 HG23 VAL 13 2HG2 VAL 13 7.568 -8.373 -0.367 105 H ARG 14 H ARG 14 11.659 -7.974 -0.327 106 HA ARG 14 HA ARG 14 11.135 -10.245 1.081 107 HB2 ARG 14 1HB ARG 14 13.528 -10.409 1.444 108 HB3 ARG 14 2HB ARG 14 13.013 -10.045 -0.242 109 HG2 ARG 14 1HG ARG 14 14.869 -8.621 -0.069 110 HG3 ARG 14 2HG ARG 14 13.662 -7.534 0.525 111 HD2 ARG 14 1HD ARG 14 14.501 -7.508 2.599 112 HD3 ARG 14 2HD ARG 14 14.890 -9.236 2.602 113 HE ARG 14 HE ARG 14 16.665 -7.070 1.966 114 HH11 ARG 14 1HH1 ARG 14 16.095 -10.480 1.209 115 HH12 ARG 14 2HH1 ARG 14 17.631 -10.682 0.432 116 HH21 ARG 14 1HH2 ARG 14 18.724 -7.463 1.073 117 HH22 ARG 14 2HH2 ARG 14 19.076 -9.004 0.374 118 H LYS 15 H LYS 15 11.942 -7.071 2.586 119 HA LYS 15 HA LYS 15 11.171 -8.326 5.162 120 HB2 LYS 15 1HB LYS 15 13.678 -7.562 4.640 121 HB3 LYS 15 2HB LYS 15 13.015 -6.059 5.333 122 HG2 LYS 15 1HG LYS 15 12.054 -7.506 7.233 123 HG3 LYS 15 2HG LYS 15 13.008 -8.846 6.601 124 HD2 LYS 15 1HD LYS 15 15.069 -7.399 6.846 125 HD3 LYS 15 2HD LYS 15 14.058 -6.196 7.657 126 HE2 LYS 15 1HE LYS 15 13.376 -7.991 9.311 127 HE3 LYS 15 2HE LYS 15 14.567 -9.061 8.557 128 HZ1 LYS 15 3HZ LYS 15 15.131 -6.439 9.774 129 HZ2 LYS 15 1HZ LYS 15 15.457 -7.943 10.451 130 HZ3 LYS 15 2HZ LYS 15 16.263 -7.456 9.059 131 H SER 16 H SER 16 9.469 -6.708 3.145 132 HA SER 16 HA SER 16 8.678 -4.257 4.376 133 HB2 SER 16 1HB SER 16 7.058 -6.224 2.775 134 HB3 SER 16 2HB SER 16 6.557 -4.599 3.240 135 HG SER 16 HG SER 16 7.420 -4.300 1.274 136 H VAL 17 H VAL 17 7.870 -7.603 5.123 137 HA VAL 17 HA VAL 17 5.989 -7.088 7.258 138 HB VAL 17 HB VAL 17 7.506 -9.505 6.238 139 HG11 VAL 17 1HG1 VAL 17 6.149 -10.929 7.704 140 HG12 VAL 17 2HG1 VAL 17 7.205 -9.856 8.654 141 HG13 VAL 17 3HG1 VAL 17 5.472 -9.486 8.496 142 HG21 VAL 17 3HG2 VAL 17 5.633 -8.722 4.851 143 HG22 VAL 17 1HG2 VAL 17 5.236 -10.276 5.622 144 HG23 VAL 17 2HG2 VAL 17 4.554 -8.763 6.265 145 H GLN 18 H GLN 18 6.766 -5.986 9.029 146 HA GLN 18 HA GLN 18 9.174 -7.115 10.399 147 HB2 GLN 18 1HB GLN 18 8.006 -4.345 10.641 148 HB3 GLN 18 2HB GLN 18 9.556 -4.963 11.298 149 HG2 GLN 18 1HG GLN 18 10.484 -5.109 9.040 150 HG3 GLN 18 2HG GLN 18 8.939 -4.635 8.331 151 HE21 GLN 18 1HE2 GLN 18 11.805 -3.590 9.951 152 HE22 GLN 18 2HE2 GLN 18 11.459 -1.882 9.899 153 H ASP 19 H ASP 19 8.862 -6.169 12.927 154 HA ASP 19 HA ASP 19 6.816 -7.813 14.178 155 HB2 ASP 19 1HB ASP 19 8.706 -5.767 15.355 156 HB3 ASP 19 2HB ASP 19 7.668 -6.820 16.263 157 H ASP 20 H ASP 20 4.903 -7.039 13.076 158 HA ASP 20 HA ASP 20 2.858 -5.905 12.991 159 HB2 ASP 20 1HB ASP 20 2.764 -6.551 15.359 160 HB3 ASP 20 2HB ASP 20 3.359 -4.971 15.773 161 H HIS 21 H HIS 21 5.166 -4.666 11.760 162 HA HIS 21 HA HIS 21 4.012 -2.043 11.356 163 HB2 HIS 21 1HB HIS 21 6.069 -0.818 11.560 164 HB3 HIS 21 2HB HIS 21 5.330 -1.375 13.106 165 HD1 HIS 21 HD1 HIS 21 6.754 -3.343 14.347 166 HD2 HIS 21 HD2 HIS 21 8.572 -1.301 11.253 167 HE1 HIS 21 HE1 HIS 21 9.263 -3.527 14.764 168 H ILE 22 H ILE 22 3.996 -1.680 9.304 169 HA ILE 22 HA ILE 22 5.619 -3.282 7.412 170 HB ILE 22 HB ILE 22 3.236 -3.676 7.116 171 HG12 ILE 22 1HG1 ILE 22 4.291 -2.010 4.909 172 HG13 ILE 22 2HG1 ILE 22 4.778 -3.696 5.270 173 HG21 ILE 22 1HG2 ILE 22 1.688 -1.967 6.499 174 HG22 ILE 22 2HG2 ILE 22 2.326 -1.634 8.127 175 HG23 ILE 22 3HG2 ILE 22 2.918 -0.702 6.731 176 HD11 ILE 22 3HD1 ILE 22 1.966 -2.752 4.608 177 HD12 ILE 22 1HD1 ILE 22 3.068 -3.615 3.510 178 HD13 ILE 22 2HD1 ILE 22 2.449 -4.427 4.968 179 H VAL 23 H VAL 23 7.165 -2.323 6.308 180 HA VAL 23 HA VAL 23 7.927 0.459 6.823 181 HB VAL 23 HB VAL 23 9.324 -1.561 6.956 182 HG11 VAL 23 1HG1 VAL 23 10.600 -2.162 4.956 183 HG12 VAL 23 2HG1 VAL 23 8.891 -2.633 4.794 184 HG13 VAL 23 3HG1 VAL 23 9.500 -1.189 3.949 185 HG21 VAL 23 3HG2 VAL 23 10.068 0.560 7.383 186 HG22 VAL 23 1HG2 VAL 23 11.264 -0.306 6.389 187 HG23 VAL 23 2HG2 VAL 23 10.223 0.933 5.650 188 H CYS 24 H CYS 24 7.388 2.181 5.757 189 HA CYS 24 HA CYS 24 5.845 2.069 3.395 190 HB2 CYS 24 1HB CYS 24 5.541 3.762 5.164 191 HB3 CYS 24 2HB CYS 24 7.095 4.487 4.711 192 H LEU 25 H LEU 25 6.968 1.293 1.545 193 HA LEU 25 HA LEU 25 9.550 2.092 0.728 194 HB2 LEU 25 1HB LEU 25 7.170 1.032 -0.664 195 HB3 LEU 25 2HB LEU 25 8.533 1.726 -1.610 196 HG LEU 25 HG LEU 25 8.816 -0.729 -1.451 197 HD11 LEU 25 1HD1 LEU 25 10.993 -0.859 -0.578 198 HD12 LEU 25 2HD1 LEU 25 10.767 0.595 -1.579 199 HD13 LEU 25 3HD1 LEU 25 10.814 0.734 0.195 200 HD21 LEU 25 3HD2 LEU 25 7.506 -1.153 0.575 201 HD22 LEU 25 1HD2 LEU 25 9.135 -1.868 0.624 202 HD23 LEU 25 2HD2 LEU 25 8.785 -0.383 1.543 203 H GLU 26 H GLU 26 10.323 3.745 -0.479 204 HA GLU 26 HA GLU 26 10.663 5.824 -1.208 205 HB2 GLU 26 1HB GLU 26 8.553 5.125 -2.518 206 HB3 GLU 26 2HB GLU 26 7.765 6.382 -1.513 207 HG2 GLU 26 1HG GLU 26 9.151 8.122 -2.473 208 HG3 GLU 26 2HG GLU 26 10.263 6.984 -3.169 209 H CYS 27 H CYS 27 9.808 5.379 1.866 210 HA CYS 27 HA CYS 27 9.257 8.168 2.425 211 HB2 CYS 27 1HB CYS 27 7.034 6.743 2.337 212 HB3 CYS 27 2HB CYS 27 7.561 6.264 3.962 213 H GLY 28 H GLY 28 9.549 4.772 3.885 214 HA2 GLY 28 1HA GLY 28 11.553 4.139 5.073 215 HA3 GLY 28 2HA GLY 28 11.744 5.772 5.653 216 H GLY 29 H GLY 29 9.258 6.480 6.644 217 HA2 GLY 29 1HA GLY 29 9.088 5.348 9.194 218 HA3 GLY 29 2HA GLY 29 7.787 6.201 8.402 219 H SER 30 H SER 30 7.878 3.836 10.233 220 HA SER 30 HA SER 30 6.462 1.843 8.525 221 HB2 SER 30 1HB SER 30 8.787 1.142 9.232 222 HB3 SER 30 2HB SER 30 8.192 1.162 10.903 223 HG SER 30 HG SER 30 8.070 -0.912 9.484 224 H PHE 31 H PHE 31 4.763 0.789 9.483 225 HA PHE 31 HA PHE 31 3.487 1.590 12.020 226 HB2 PHE 31 1HB PHE 31 1.552 2.589 10.761 227 HB3 PHE 31 2HB PHE 31 3.006 3.607 11.044 228 HD1 PHE 31 HD1 PHE 31 2.535 1.113 8.176 229 HD2 PHE 31 HD2 PHE 31 2.593 5.215 9.418 230 HE1 PHE 31 HE1 PHE 31 3.770 1.724 6.132 231 HE2 PHE 31 HE2 PHE 31 3.463 5.858 7.202 232 HZ PHE 31 HZ PHE 31 3.817 4.108 5.467 233 H LYS 32 H LYS 32 1.369 0.598 12.338 234 HA LYS 32 HA LYS 32 1.034 -1.939 11.256 235 HB2 LYS 32 1HB LYS 32 -0.955 -0.205 12.709 236 HB3 LYS 32 2HB LYS 32 -1.212 -1.898 12.306 237 HG2 LYS 32 1HG LYS 32 -0.133 -2.421 14.217 238 HG3 LYS 32 2HG LYS 32 1.358 -1.823 13.493 239 HD2 LYS 32 1HD LYS 32 0.481 0.543 14.268 240 HD3 LYS 32 2HD LYS 32 -0.547 -0.395 15.349 241 HE2 LYS 32 1HE LYS 32 1.544 -1.596 16.158 242 HE3 LYS 32 2HE LYS 32 2.493 -0.450 15.210 243 HZ1 LYS 32 3HZ LYS 32 0.586 0.241 17.343 244 HZ2 LYS 32 1HZ LYS 32 2.264 0.244 17.459 245 HZ3 LYS 32 2HZ LYS 32 1.490 1.333 16.438 246 H SER 33 H SER 33 -0.296 1.119 9.883 247 HA SER 33 HA SER 33 -1.420 -0.525 7.698 248 HB2 SER 33 1HB SER 33 -3.361 1.102 7.698 249 HB3 SER 33 2HB SER 33 -3.302 -0.161 8.932 250 HG SER 33 HG SER 33 -3.830 1.882 9.859 251 H LEU 34 H LEU 34 0.165 -0.089 6.214 252 HA LEU 34 HA LEU 34 1.098 2.503 5.402 253 HB2 LEU 34 1HB LEU 34 2.007 0.108 5.058 254 HB3 LEU 34 2HB LEU 34 0.957 0.148 3.603 255 HG LEU 34 HG LEU 34 2.969 2.378 4.075 256 HD11 LEU 34 1HD1 LEU 34 4.582 1.053 2.805 257 HD12 LEU 34 2HD1 LEU 34 4.170 0.219 4.323 258 HD13 LEU 34 3HD1 LEU 34 3.463 -0.332 2.786 259 HD21 LEU 34 3HD2 LEU 34 1.308 2.654 2.296 260 HD22 LEU 34 1HD2 LEU 34 2.970 2.491 1.680 261 HD23 LEU 34 2HD2 LEU 34 1.844 1.116 1.576 262 H LYS 35 H LYS 35 -1.578 0.452 4.154 263 HA LYS 35 HA LYS 35 -2.489 1.578 1.907 264 HB2 LYS 35 1HB LYS 35 -3.356 -0.271 3.493 265 HB3 LYS 35 2HB LYS 35 -4.469 1.026 4.032 266 HG2 LYS 35 1HG LYS 35 -4.113 0.284 1.128 267 HG3 LYS 35 2HG LYS 35 -5.298 -0.525 2.200 268 HD2 LYS 35 1HD LYS 35 -6.775 1.170 1.928 269 HD3 LYS 35 2HD LYS 35 -5.568 2.377 2.358 270 HE2 LYS 35 1HE LYS 35 -5.740 1.119 -0.419 271 HE3 LYS 35 2HE LYS 35 -6.513 2.629 0.017 272 HZ1 LYS 35 3HZ LYS 35 -3.637 2.067 0.160 273 HZ2 LYS 35 1HZ LYS 35 -4.437 2.971 -1.011 274 HZ3 LYS 35 2HZ LYS 35 -4.378 3.518 0.578 275 H ARG 36 H ARG 36 -4.242 2.796 4.813 276 HA ARG 36 HA ARG 36 -5.174 5.228 3.996 277 HB2 ARG 36 1HB ARG 36 -4.707 6.043 6.294 278 HB3 ARG 36 2HB ARG 36 -5.827 4.668 6.024 279 HG2 ARG 36 1HG ARG 36 -4.478 3.202 7.219 280 HG3 ARG 36 2HG ARG 36 -2.992 3.930 6.675 281 HD2 ARG 36 1HD ARG 36 -4.770 5.403 8.589 282 HD3 ARG 36 2HD ARG 36 -3.666 4.116 9.134 283 HE ARG 36 HE ARG 36 -2.182 5.819 7.420 284 HH11 ARG 36 1HH1 ARG 36 -3.595 6.003 10.678 285 HH12 ARG 36 2HH1 ARG 36 -2.536 7.290 11.156 286 HH21 ARG 36 1HH2 ARG 36 -0.791 7.404 8.167 287 HH22 ARG 36 2HH2 ARG 36 -0.994 8.069 9.748 288 H HIS 37 H HIS 37 -1.981 5.047 5.559 289 HA HIS 37 HA HIS 37 -0.982 7.503 5.181 290 HB2 HIS 37 1HB HIS 37 0.179 5.966 6.472 291 HB3 HIS 37 2HB HIS 37 0.435 4.872 5.076 292 HD1 HIS 37 HD1 HIS 37 1.524 8.282 6.429 293 HD2 HIS 37 HD2 HIS 37 2.710 5.357 3.623 294 HE1 HIS 37 HE1 HIS 37 3.845 8.967 5.568 295 H LEU 38 H LEU 38 -0.652 4.793 2.836 296 HA LEU 38 HA LEU 38 0.759 5.966 0.787 297 HB2 LEU 38 1HB LEU 38 -0.026 3.594 1.263 298 HB3 LEU 38 2HB LEU 38 -1.466 4.060 0.290 299 HG LEU 38 HG LEU 38 0.385 2.805 -0.959 300 HD11 LEU 38 1HD1 LEU 38 0.161 4.099 -2.940 301 HD12 LEU 38 2HD1 LEU 38 -1.389 3.919 -2.085 302 HD13 LEU 38 3HD1 LEU 38 -0.502 5.459 -2.005 303 HD21 LEU 38 3HD2 LEU 38 2.316 3.949 0.055 304 HD22 LEU 38 1HD2 LEU 38 2.283 4.114 -1.717 305 HD23 LEU 38 2HD2 LEU 38 1.788 5.479 -0.688 306 H THR 39 H THR 39 -2.876 5.644 0.784 307 HA THR 39 HA THR 39 -3.344 7.423 -1.340 308 HB THR 39 HB THR 39 -5.201 6.609 0.863 309 HG1 THR 39 HG1 THR 39 -4.339 5.474 -1.684 310 HG21 THR 39 3HG2 THR 39 -5.785 7.558 -1.965 311 HG22 THR 39 1HG2 THR 39 -6.977 6.931 -0.802 312 HG23 THR 39 2HG2 THR 39 -6.127 8.458 -0.468 313 H THR 40 H THR 40 -3.268 8.172 2.228 314 HA THR 40 HA THR 40 -3.956 10.853 2.064 315 HB THR 40 HB THR 40 -2.105 9.522 4.108 316 HG1 THR 40 HG1 THR 40 -4.109 9.277 5.219 317 HG21 THR 40 3HG2 THR 40 -3.818 11.985 4.345 318 HG22 THR 40 1HG2 THR 40 -2.872 11.190 5.624 319 HG23 THR 40 2HG2 THR 40 -2.042 11.963 4.253 320 H HIS 41 H HIS 41 -0.590 9.494 1.972 321 HA HIS 41 HA HIS 41 0.581 12.229 1.577 322 HB2 HIS 41 1HB HIS 41 1.673 9.670 2.651 323 HB3 HIS 41 2HB HIS 41 2.712 10.915 2.029 324 HD1 HIS 41 HD1 HIS 41 -0.295 12.283 3.773 325 HD2 HIS 41 HD2 HIS 41 3.609 11.138 4.508 326 HE1 HIS 41 HE1 HIS 41 0.237 13.076 6.148 327 H HIS 42 H HIS 42 2.003 9.243 0.349 328 HA HIS 42 HA HIS 42 2.638 10.088 -2.175 329 HB2 HIS 42 1HB HIS 42 1.889 7.258 -1.705 330 HB3 HIS 42 2HB HIS 42 3.241 7.977 -2.635 331 HD1 HIS 42 HD1 HIS 42 5.443 8.399 -1.439 332 HD2 HIS 42 HD2 HIS 42 2.320 7.156 1.119 333 HE1 HIS 42 HE1 HIS 42 6.503 7.887 0.843 334 H SER 43 H SER 43 -0.581 9.422 -0.944 335 HA SER 43 HA SER 43 -2.686 9.380 -1.965 336 HB2 SER 43 1HB SER 43 -1.391 10.515 -4.438 337 HB3 SER 43 2HB SER 43 -3.108 10.450 -4.067 338 HG SER 43 HG SER 43 -1.141 12.215 -3.198 339 H MET 44 H MET 44 -3.726 8.568 -4.295 340 HA MET 44 HA MET 44 -4.095 6.850 -5.798 341 HB2 MET 44 1HB MET 44 -1.217 6.053 -5.417 342 HB3 MET 44 2HB MET 44 -2.339 5.488 -6.696 343 HG2 MET 44 1HG MET 44 -2.387 7.744 -7.686 344 HG3 MET 44 2HG MET 44 -1.443 8.397 -6.376 345 HE1 MET 44 3HE MET 44 0.796 6.165 -5.888 346 HE2 MET 44 1HE MET 44 2.074 6.761 -6.974 347 HE3 MET 44 2HE MET 44 1.135 7.910 -5.990 348 H THR 45 H THR 45 -4.279 4.589 -6.135 349 HA THR 45 HA THR 45 -5.053 3.023 -3.742 350 HB THR 45 HB THR 45 -5.551 1.271 -5.498 351 HG1 THR 45 HG1 THR 45 -4.815 3.383 -7.296 352 HG21 THR 45 3HG2 THR 45 -6.812 4.006 -5.842 353 HG22 THR 45 1HG2 THR 45 -7.504 2.442 -6.338 354 HG23 THR 45 2HG2 THR 45 -7.265 2.802 -4.611 355 HA PRO 46 HA PRO 46 -1.382 1.089 -2.671 356 HB2 PRO 46 1HB PRO 46 -2.105 -1.380 -1.781 357 HB3 PRO 46 2HB PRO 46 -2.520 0.096 -0.911 358 HG2 PRO 46 1HG PRO 46 -4.255 -1.514 -2.844 359 HG3 PRO 46 2HG PRO 46 -4.700 -0.856 -1.271 360 HD2 PRO 46 1HD PRO 46 -5.250 0.507 -3.666 361 HD3 PRO 46 2HD PRO 46 -4.864 1.411 -2.134 362 H GLU 47 H GLU 47 -3.358 -1.137 -4.686 363 HA GLU 47 HA GLU 47 -1.156 -2.634 -5.781 364 HB2 GLU 47 1HB GLU 47 -3.959 -2.614 -6.061 365 HB3 GLU 47 2HB GLU 47 -3.277 -2.469 -7.688 366 HG2 GLU 47 1HG GLU 47 -1.741 -4.421 -7.142 367 HG3 GLU 47 2HG GLU 47 -2.597 -4.611 -5.614 368 H GLU 48 H GLU 48 -2.675 0.415 -6.950 369 HA GLU 48 HA GLU 48 -1.121 0.577 -9.426 370 HB2 GLU 48 1HB GLU 48 -3.244 1.866 -8.803 371 HB3 GLU 48 2HB GLU 48 -2.209 2.945 -7.910 372 HG2 GLU 48 1HG GLU 48 -1.103 3.691 -9.810 373 HG3 GLU 48 2HG GLU 48 -1.579 2.270 -10.770 374 H TYR 49 H TYR 49 -0.581 1.843 -6.131 375 HA TYR 49 HA TYR 49 2.098 2.937 -6.421 376 HB2 TYR 49 1HB TYR 49 0.908 3.432 -4.529 377 HB3 TYR 49 2HB TYR 49 0.563 1.707 -4.183 378 HD1 TYR 49 HD1 TYR 49 3.563 3.987 -4.587 379 HD2 TYR 49 HD2 TYR 49 1.731 0.685 -2.543 380 HE1 TYR 49 HE1 TYR 49 5.408 3.997 -2.925 381 HE2 TYR 49 HE2 TYR 49 3.533 0.740 -0.848 382 HH TYR 49 HH TYR 49 5.590 3.578 -0.593 383 H ARG 50 H ARG 50 1.088 -0.463 -5.804 384 HA ARG 50 HA ARG 50 3.714 -1.612 -5.475 385 HB2 ARG 50 1HB ARG 50 2.882 -3.513 -5.445 386 HB3 ARG 50 2HB ARG 50 1.355 -2.562 -5.235 387 HG2 ARG 50 1HG ARG 50 0.814 -4.385 -6.539 388 HG3 ARG 50 2HG ARG 50 0.940 -2.997 -7.667 389 HD2 ARG 50 1HD ARG 50 3.104 -3.822 -8.481 390 HD3 ARG 50 2HD ARG 50 3.111 -5.114 -7.293 391 HE ARG 50 HE ARG 50 1.788 -6.361 -8.644 392 HH11 ARG 50 1HH1 ARG 50 1.720 -3.066 -10.017 393 HH12 ARG 50 2HH1 ARG 50 0.548 -3.542 -11.275 394 HH21 ARG 50 1HH2 ARG 50 0.435 -6.903 -10.326 395 HH22 ARG 50 2HH2 ARG 50 -0.150 -5.645 -11.447 396 H GLU 51 H GLU 51 1.972 -0.737 -8.451 397 HA GLU 51 HA GLU 51 3.841 -1.878 -10.394 398 HB2 GLU 51 1HB GLU 51 1.468 -1.211 -10.814 399 HB3 GLU 51 2HB GLU 51 2.001 0.449 -10.837 400 HG2 GLU 51 1HG GLU 51 3.291 0.148 -12.779 401 HG3 GLU 51 2HG GLU 51 3.396 -1.595 -12.571 402 H LYS 52 H LYS 52 3.796 1.322 -8.776 403 HA LYS 52 HA LYS 52 5.998 2.573 -10.147 404 HB2 LYS 52 1HB LYS 52 4.720 3.902 -8.840 405 HB3 LYS 52 2HB LYS 52 4.871 2.820 -7.409 406 HG2 LYS 52 1HG LYS 52 6.072 4.940 -7.147 407 HG3 LYS 52 2HG LYS 52 7.154 3.513 -7.091 408 HD2 LYS 52 1HD LYS 52 7.661 4.015 -9.560 409 HD3 LYS 52 2HD LYS 52 6.877 5.580 -9.292 410 HE2 LYS 52 1HE LYS 52 8.493 6.188 -7.590 411 HE3 LYS 52 2HE LYS 52 9.152 4.552 -7.538 412 HZ1 LYS 52 3HZ LYS 52 9.259 6.379 -9.842 413 HZ2 LYS 52 1HZ LYS 52 10.522 6.015 -8.793 414 HZ3 LYS 52 2HZ LYS 52 9.887 4.820 -9.792 415 H TRP 53 H TRP 53 6.099 0.639 -7.127 416 HA TRP 53 HA TRP 53 9.035 0.402 -7.264 417 HB2 TRP 53 1HB TRP 53 6.923 -0.566 -5.331 418 HB3 TRP 53 2HB TRP 53 8.602 -1.078 -5.195 419 HD1 TRP 53 HD1 TRP 53 6.473 2.144 -5.094 420 HE1 TRP 53 HE1 TRP 53 7.909 4.095 -4.267 421 HE3 TRP 53 HE3 TRP 53 10.770 -0.405 -4.472 422 HZ2 TRP 53 HZ2 TRP 53 10.573 4.430 -3.390 423 HZ3 TRP 53 HZ3 TRP 53 12.779 0.752 -3.576 424 HH2 TRP 53 HH2 TRP 53 12.677 3.172 -3.049 425 H ASP 54 H ASP 54 6.961 -1.035 -9.207 426 HA ASP 54 HA ASP 54 6.723 -3.126 -10.339 427 HB2 ASP 54 1HB ASP 54 9.614 -3.530 -9.684 428 HB3 ASP 54 2HB ASP 54 8.667 -4.094 -11.098 429 H LEU 55 H LEU 55 5.996 -3.175 -7.586 430 HA LEU 55 HA LEU 55 7.419 -4.981 -5.939 431 HB2 LEU 55 1HB LEU 55 5.895 -3.170 -5.268 432 HB3 LEU 55 2HB LEU 55 4.511 -4.185 -5.786 433 HG LEU 55 HG LEU 55 5.511 -5.922 -4.082 434 HD11 LEU 55 1HD1 LEU 55 6.621 -4.865 -2.177 435 HD12 LEU 55 2HD1 LEU 55 7.602 -4.684 -3.650 436 HD13 LEU 55 3HD1 LEU 55 6.654 -3.307 -3.038 437 HD21 LEU 55 3HD2 LEU 55 3.335 -4.844 -3.937 438 HD22 LEU 55 1HD2 LEU 55 4.125 -4.932 -2.344 439 HD23 LEU 55 2HD2 LEU 55 4.089 -3.392 -3.235 440 HA PRO 56 HA PRO 56 6.082 -8.938 -7.763 441 HB2 PRO 56 1HB PRO 56 7.677 -10.485 -6.196 442 HB3 PRO 56 2HB PRO 56 8.240 -9.695 -7.669 443 HG2 PRO 56 1HG PRO 56 8.486 -8.871 -4.814 444 HG3 PRO 56 2HG PRO 56 9.728 -8.862 -6.159 445 HD2 PRO 56 1HD PRO 56 8.289 -6.478 -5.416 446 HD3 PRO 56 2HD PRO 56 8.747 -6.821 -7.152 447 H VAL 57 H VAL 57 4.856 -10.524 -7.153 448 HA VAL 57 HA VAL 57 2.954 -11.396 -6.242 449 HB VAL 57 HB VAL 57 4.703 -12.235 -4.761 450 HG11 VAL 57 1HG1 VAL 57 4.466 -11.806 -2.364 451 HG12 VAL 57 2HG1 VAL 57 5.049 -10.358 -3.221 452 HG13 VAL 57 3HG1 VAL 57 3.350 -10.462 -2.703 453 HG21 VAL 57 3HG2 VAL 57 2.694 -13.343 -5.176 454 HG22 VAL 57 1HG2 VAL 57 3.100 -13.451 -3.447 455 HG23 VAL 57 2HG2 VAL 57 1.826 -12.335 -3.993 456 H ASP 58 H ASP 58 3.256 -8.249 -6.319 457 HA ASP 58 HA ASP 58 2.071 -6.356 -5.693 458 HB2 ASP 58 1HB ASP 58 -0.280 -6.413 -5.951 459 HB3 ASP 58 2HB ASP 58 0.638 -7.213 -7.270 460 H TYR 59 H TYR 59 3.225 -7.533 -3.526 461 HA TYR 59 HA TYR 59 1.960 -8.403 -1.284 462 HB2 TYR 59 1HB TYR 59 4.277 -8.273 -1.432 463 HB3 TYR 59 2HB TYR 59 4.249 -6.500 -1.701 464 HD1 TYR 59 HD1 TYR 59 4.050 -4.963 0.102 465 HD2 TYR 59 HD2 TYR 59 4.076 -9.196 0.820 466 HE1 TYR 59 HE1 TYR 59 4.263 -4.549 2.534 467 HE2 TYR 59 HE2 TYR 59 4.224 -8.782 3.262 468 HH TYR 59 HH TYR 59 4.635 -5.400 4.508 469 HA PRO 60 HA PRO 60 -1.093 -5.445 -0.020 470 HB2 PRO 60 1HB PRO 60 -1.637 -6.388 2.448 471 HB3 PRO 60 2HB PRO 60 -2.138 -7.260 1.001 472 HG2 PRO 60 1HG PRO 60 0.325 -7.753 2.749 473 HG3 PRO 60 2HG PRO 60 -0.833 -8.936 2.147 474 HD2 PRO 60 1HD PRO 60 1.564 -8.431 0.788 475 HD3 PRO 60 2HD PRO 60 0.036 -8.778 -0.150 476 H MET 61 H MET 61 -1.233 -3.584 0.810 477 HA MET 61 HA MET 61 1.089 -2.460 2.411 478 HB2 MET 61 1HB MET 61 -1.072 -1.127 0.856 479 HB3 MET 61 2HB MET 61 0.135 -0.313 1.852 480 HG2 MET 61 1HG MET 61 0.720 -2.117 -0.557 481 HG3 MET 61 2HG MET 61 0.950 -0.393 -0.476 482 HE1 MET 61 3HE MET 61 3.328 -1.224 -1.544 483 HE2 MET 61 1HE MET 61 4.491 -2.222 -0.639 484 HE3 MET 61 2HE MET 61 2.959 -2.931 -1.203 485 H VAL 62 H VAL 62 -0.494 -4.298 3.811 486 HA VAL 62 HA VAL 62 -1.647 -2.458 5.887 487 HB VAL 62 HB VAL 62 -2.963 -5.119 5.605 488 HG11 VAL 62 1HG1 VAL 62 -4.872 -3.756 6.461 489 HG12 VAL 62 2HG1 VAL 62 -3.433 -3.571 7.491 490 HG13 VAL 62 3HG1 VAL 62 -3.870 -2.290 6.336 491 HG21 VAL 62 3HG2 VAL 62 -3.131 -4.440 3.315 492 HG22 VAL 62 1HG2 VAL 62 -4.703 -4.341 4.142 493 HG23 VAL 62 2HG2 VAL 62 -3.779 -2.857 3.807 494 H ALA 63 H ALA 63 -1.512 -3.373 8.039 495 HA ALA 63 HA ALA 63 0.602 -4.311 9.239 496 HB1 ALA 63 3HB ALA 63 -2.100 -5.614 9.664 497 HB2 ALA 63 1HB ALA 63 -0.745 -5.637 10.818 498 HB3 ALA 63 2HB ALA 63 -1.519 -4.095 10.385 499 HA PRO 64 HA PRO 64 2.484 -7.758 7.366 500 HB2 PRO 64 1HB PRO 64 3.884 -8.814 9.500 501 HB3 PRO 64 2HB PRO 64 4.392 -7.408 8.565 502 HG2 PRO 64 1HG PRO 64 2.846 -7.471 11.200 503 HG3 PRO 64 2HG PRO 64 4.238 -6.478 10.779 504 HD2 PRO 64 1HD PRO 64 1.758 -5.402 10.590 505 HD3 PRO 64 2HD PRO 64 2.939 -5.047 9.331 506 H ALA 65 H ALA 65 0.505 -8.345 10.231 507 HA ALA 65 HA ALA 65 -0.258 -10.983 8.991 508 HB1 ALA 65 3HB ALA 65 0.031 -10.346 11.930 509 HB2 ALA 65 1HB ALA 65 -0.625 -11.858 11.260 510 HB3 ALA 65 2HB ALA 65 1.068 -11.406 10.946 511 H TYR 66 H TYR 66 -1.531 -8.399 8.490 512 HA TYR 66 HA TYR 66 -3.897 -7.920 9.996 513 HB2 TYR 66 1HB TYR 66 -3.061 -6.325 8.451 514 HB3 TYR 66 2HB TYR 66 -3.250 -7.469 7.081 515 HD1 TYR 66 HD1 TYR 66 -5.081 -5.253 9.456 516 HD2 TYR 66 HD2 TYR 66 -5.317 -7.746 5.970 517 HE1 TYR 66 HE1 TYR 66 -7.321 -4.325 8.943 518 HE2 TYR 66 HE2 TYR 66 -7.572 -6.849 5.475 519 HH TYR 66 HH TYR 66 -8.672 -3.940 6.819 520 H ALA 67 H ALA 67 -3.390 -10.046 7.248 521 HA ALA 67 HA ALA 67 -5.539 -11.875 7.849 522 HB1 ALA 67 3HB ALA 67 -5.919 -10.046 5.421 523 HB2 ALA 67 1HB ALA 67 -6.904 -11.479 5.794 524 HB3 ALA 67 2HB ALA 67 -6.950 -10.063 6.871 525 H GLU 68 H GLU 68 -5.486 -13.668 6.356 526 HA GLU 68 HA GLU 68 -2.913 -14.370 5.333 527 HB2 GLU 68 1HB GLU 68 -4.542 -15.901 6.206 528 HB3 GLU 68 2HB GLU 68 -5.603 -15.594 4.789 529 HG2 GLU 68 1HG GLU 68 -4.373 -17.740 4.697 530 HG3 GLU 68 2HG GLU 68 -4.035 -16.642 3.320 531 H ALA 69 H ALA 69 -4.950 -12.190 3.885 532 HA ALA 69 HA ALA 69 -5.346 -11.386 1.761 533 HB1 ALA 69 3HB ALA 69 -2.475 -12.130 1.407 534 HB2 ALA 69 1HB ALA 69 -3.420 -11.054 0.350 535 HB3 ALA 69 2HB ALA 69 -3.152 -10.616 2.054 536 H ARG 70 H ARG 70 -6.930 -12.994 1.428 537 HA ARG 70 HA ARG 70 -6.336 -14.826 -0.944 538 HB2 ARG 70 1HB ARG 70 -7.766 -15.483 1.612 539 HB3 ARG 70 2HB ARG 70 -8.189 -16.280 0.117 540 HG2 ARG 70 1HG ARG 70 -5.532 -16.550 -0.043 541 HG3 ARG 70 2HG ARG 70 -5.718 -16.449 1.729 542 HD2 ARG 70 1HD ARG 70 -7.425 -18.296 1.652 543 HD3 ARG 70 2HD ARG 70 -7.304 -18.372 -0.085 544 HE ARG 70 HE ARG 70 -5.653 -19.653 1.809 545 HH11 ARG 70 1HH1 ARG 70 -5.197 -17.997 -1.356 546 HH12 ARG 70 2HH1 ARG 70 -3.791 -19.026 -1.740 547 HH21 ARG 70 1HH2 ARG 70 -3.888 -20.849 1.238 548 HH22 ARG 70 2HH2 ARG 70 -3.079 -20.576 -0.329 549 H SER 71 H SER 71 -8.868 -15.701 -1.395 550 HA SER 71 HA SER 71 -10.190 -13.809 -3.056 551 HB2 SER 71 1HB SER 71 -10.592 -16.244 -3.055 552 HB3 SER 71 2HB SER 71 -11.431 -16.106 -1.512 553 HG SER 71 HG SER 71 -12.458 -14.222 -3.199 554 H ARG 72 H ARG 72 -11.212 -14.705 0.257 555 HA ARG 72 HA ARG 72 -12.699 -12.126 0.669 556 HB2 ARG 72 1HB ARG 72 -12.371 -14.697 2.109 557 HB3 ARG 72 2HB ARG 72 -12.859 -13.216 2.997 558 HG2 ARG 72 1HG ARG 72 -14.367 -14.263 0.565 559 HG3 ARG 72 2HG ARG 72 -14.782 -14.703 2.211 560 HD2 ARG 72 1HD ARG 72 -14.909 -12.172 2.684 561 HD3 ARG 72 2HD ARG 72 -14.891 -11.979 0.919 562 HE ARG 72 HE ARG 72 -16.988 -13.345 2.555 563 HH11 ARG 72 1HH1 ARG 72 -15.989 -12.117 -0.659 564 HH12 ARG 72 2HH1 ARG 72 -17.624 -12.355 -1.331 565 HH21 ARG 72 1HH2 ARG 72 -19.010 -13.590 1.641 566 HH22 ARG 72 2HH2 ARG 72 -19.281 -13.162 -0.070 567 H LEU 73 H LEU 73 -10.241 -11.330 0.049 568 HA LEU 73 HA LEU 73 -8.609 -10.769 2.443 569 HB2 LEU 73 1HB LEU 73 -7.489 -10.842 0.465 570 HB3 LEU 73 2HB LEU 73 -8.619 -9.685 -0.322 571 HG LEU 73 HG LEU 73 -7.682 -7.853 1.120 572 HD11 LEU 73 1HD1 LEU 73 -5.691 -8.187 2.404 573 HD12 LEU 73 2HD1 LEU 73 -7.010 -9.184 3.064 574 HD13 LEU 73 3HD1 LEU 73 -5.729 -9.938 2.085 575 HD21 LEU 73 3HD2 LEU 73 -6.860 -8.236 -1.109 576 HD22 LEU 73 1HD2 LEU 73 -5.580 -7.685 -0.002 577 HD23 LEU 73 2HD2 LEU 73 -5.667 -9.397 -0.479 578 H ALA 74 H ALA 74 -9.737 -8.179 0.454 579 HA ALA 74 HA ALA 74 -11.891 -7.099 1.960 580 HB1 ALA 74 3HB ALA 74 -9.231 -5.747 2.548 581 HB2 ALA 74 1HB ALA 74 -10.836 -5.098 2.960 582 HB3 ALA 74 2HB ALA 74 -10.264 -6.603 3.717 583 H LYS 75 H LYS 75 -12.190 -7.396 -0.400 584 HA LYS 75 HA LYS 75 -10.894 -5.692 -2.385 585 HB2 LYS 75 1HB LYS 75 -12.520 -6.315 -3.892 586 HB3 LYS 75 2HB LYS 75 -11.990 -7.740 -2.935 587 HG2 LYS 75 1HG LYS 75 -14.059 -7.744 -1.711 588 HG3 LYS 75 2HG LYS 75 -14.575 -6.225 -2.487 589 HD2 LYS 75 1HD LYS 75 -14.382 -7.453 -4.745 590 HD3 LYS 75 2HD LYS 75 -14.163 -8.944 -3.841 591 HE2 LYS 75 1HE LYS 75 -16.365 -8.663 -2.782 592 HE3 LYS 75 2HE LYS 75 -16.582 -7.113 -3.597 593 HZ1 LYS 75 3HZ LYS 75 -16.233 -9.721 -4.918 594 HZ2 LYS 75 1HZ LYS 75 -17.675 -8.873 -4.743 595 HZ3 LYS 75 2HZ LYS 75 -16.440 -8.243 -5.695 596 H GLU 76 H GLU 76 -12.238 -4.130 -3.723 597 HA GLU 76 HA GLU 76 -13.169 -1.985 -3.911 598 HB2 GLU 76 1HB GLU 76 -15.162 -2.974 -3.168 599 HB3 GLU 76 2HB GLU 76 -14.648 -2.826 -1.448 600 HG2 GLU 76 1HG GLU 76 -14.773 -0.319 -1.758 601 HG3 GLU 76 2HG GLU 76 -15.532 -0.614 -3.321 602 H MET 77 H MET 77 -11.065 -1.320 -3.694 603 HA MET 77 HA MET 77 -9.328 -0.032 -3.032 604 HB2 MET 77 1HB MET 77 -11.479 1.357 -1.612 605 HB3 MET 77 2HB MET 77 -9.809 1.774 -1.233 606 HG2 MET 77 1HG MET 77 -9.376 2.060 -3.729 607 HG3 MET 77 2HG MET 77 -11.069 1.777 -4.025 608 HE1 MET 77 3HE MET 77 -12.955 3.389 -3.582 609 HE2 MET 77 1HE MET 77 -12.539 5.083 -3.934 610 HE3 MET 77 2HE MET 77 -11.974 3.785 -5.014 611 H GLY 78 H GLY 78 -10.934 -1.065 -0.013 612 HA2 GLY 78 1HA GLY 78 -9.573 -2.380 1.714 613 HA3 GLY 78 2HA GLY 78 -8.206 -1.387 1.344 614 H LEU 79 H LEU 79 -11.525 -0.244 1.700 615 HA LEU 79 HA LEU 79 -11.090 0.753 4.487 616 HB2 LEU 79 1HB LEU 79 -11.220 2.593 2.087 617 HB3 LEU 79 2HB LEU 79 -11.968 3.086 3.588 618 HG LEU 79 HG LEU 79 -9.296 2.021 4.066 619 HD11 LEU 79 1HD1 LEU 79 -8.095 3.860 2.960 620 HD12 LEU 79 2HD1 LEU 79 -8.904 2.826 1.760 621 HD13 LEU 79 3HD1 LEU 79 -9.606 4.403 2.195 622 HD21 LEU 79 3HD2 LEU 79 -10.602 3.346 5.656 623 HD22 LEU 79 1HD2 LEU 79 -9.084 4.167 5.223 624 HD23 LEU 79 2HD2 LEU 79 -10.623 4.712 4.514 625 H GLY 80 H GLY 80 -12.874 0.985 5.617 626 HA2 GLY 80 1HA GLY 80 -15.440 -0.086 4.592 627 HA3 GLY 80 2HA GLY 80 -15.142 0.540 6.205 628 H GLN 81 H GLN 81 -16.032 1.265 2.922 629 HA GLN 81 HA GLN 81 -16.750 4.102 3.648 630 HB2 GLN 81 1HB GLN 81 -15.283 3.498 1.566 631 HB3 GLN 81 2HB GLN 81 -16.766 2.971 0.829 632 HG2 GLN 81 1HG GLN 81 -16.642 5.663 2.111 633 HG3 GLN 81 2HG GLN 81 -15.921 5.357 0.494 634 HE21 GLN 81 1HE2 GLN 81 -17.394 7.070 -0.157 635 HE22 GLN 81 2HE2 GLN 81 -19.071 6.625 -0.571 636 H ARG 82 H ARG 82 -18.563 4.123 4.602 637 HA ARG 82 HA ARG 82 -21.034 3.281 3.181 638 HB2 ARG 82 1HB ARG 82 -20.285 1.385 4.903 639 HB3 ARG 82 2HB ARG 82 -20.593 2.532 6.161 640 HG2 ARG 82 1HG ARG 82 -22.561 1.361 6.094 641 HG3 ARG 82 2HG ARG 82 -22.981 2.720 5.062 642 HD2 ARG 82 1HD ARG 82 -23.432 1.349 3.423 643 HD3 ARG 82 2HD ARG 82 -21.730 0.762 3.433 644 HE ARG 82 HE ARG 82 -23.273 -0.351 5.635 645 HH11 ARG 82 1HH1 ARG 82 -22.439 -1.000 2.216 646 HH12 ARG 82 2HH1 ARG 82 -23.037 -2.678 2.324 647 HH21 ARG 82 1HH2 ARG 82 -23.891 -2.476 5.716 648 HH22 ARG 82 2HH2 ARG 82 -23.831 -3.490 4.249 649 H ARG 83 H ARG 83 -22.768 4.645 3.673 650 HA ARG 83 HA ARG 83 -22.351 6.719 5.870 651 HB2 ARG 83 1HB ARG 83 -21.856 7.592 3.555 652 HB3 ARG 83 2HB ARG 83 -23.593 7.410 3.239 653 HG2 ARG 83 1HG ARG 83 -24.123 8.901 5.172 654 HG3 ARG 83 2HG ARG 83 -22.442 9.004 5.605 655 HD2 ARG 83 1HD ARG 83 -21.953 10.074 3.454 656 HD3 ARG 83 2HD ARG 83 -23.709 10.026 3.082 657 HE ARG 83 HE ARG 83 -24.093 11.731 4.640 658 HH11 ARG 83 1HH1 ARG 83 -20.648 10.805 4.898 659 HH12 ARG 83 2HH1 ARG 83 -20.360 11.973 6.215 660 HH21 ARG 83 1HH2 ARG 83 -23.640 13.198 6.262 661 HH22 ARG 83 2HH2 ARG 83 -22.000 13.289 6.958 662 H LYS 84 H LYS 84 -23.749 6.604 7.320 663 HA LYS 84 HA LYS 84 -26.656 6.609 6.820 664 HB2 LYS 84 1HB LYS 84 -25.453 4.075 7.121 665 HB3 LYS 84 2HB LYS 84 -26.304 4.451 8.641 666 HG2 LYS 84 1HG LYS 84 -28.404 4.808 7.480 667 HG3 LYS 84 2HG LYS 84 -27.620 4.903 5.915 668 HD2 LYS 84 1HD LYS 84 -27.020 2.474 6.089 669 HD3 LYS 84 2HD LYS 84 -27.861 2.392 7.627 670 HE2 LYS 84 1HE LYS 84 -29.330 1.610 5.803 671 HE3 LYS 84 2HE LYS 84 -29.993 3.078 6.480 672 HZ1 LYS 84 3HZ LYS 84 -28.392 2.890 4.034 673 HZ2 LYS 84 1HZ LYS 84 -30.059 3.085 4.150 674 HZ3 LYS 84 2HZ LYS 84 -29.030 4.303 4.688 675 H ALA 85 H ALA 85 -27.126 8.233 7.989 676 HA ALA 85 HA ALA 85 -26.213 8.401 10.892 677 HB1 ALA 85 3HB ALA 85 -26.525 10.658 8.893 678 HB2 ALA 85 1HB ALA 85 -26.122 10.820 10.618 679 HB3 ALA 85 2HB ALA 85 -24.986 10.014 9.511 680 H ASN 86 H ASN 86 -27.599 9.053 12.368 681 HA ASN 86 HA ASN 86 -30.495 9.580 11.565 682 HB2 ASN 86 1HB ASN 86 -31.188 8.281 13.547 683 HB3 ASN 86 2HB ASN 86 -30.232 7.269 12.523 684 HD21 ASN 86 1HD2 ASN 86 -30.710 8.443 15.623 685 HD22 ASN 86 2HD2 ASN 86 -29.140 7.979 16.332 686 H ARG 87 H ARG 87 -31.630 11.080 12.620 687 HA ARG 87 HA ARG 87 -30.338 13.250 14.100 688 HB2 ARG 87 1HB ARG 87 -32.556 13.287 12.789 689 HB3 ARG 87 2HB ARG 87 -33.282 12.559 14.208 690 HG2 ARG 87 1HG ARG 87 -32.492 14.475 15.598 691 HG3 ARG 87 2HG ARG 87 -31.763 15.204 14.179 692 HD2 ARG 87 1HD ARG 87 -34.011 15.233 13.088 693 HD3 ARG 87 2HD ARG 87 -34.703 14.635 14.614 694 HE ARG 87 HE ARG 87 -34.288 16.705 15.647 695 HH11 ARG 87 1HH1 ARG 87 -32.880 16.758 12.348 696 HH12 ARG 87 2HH1 ARG 87 -32.602 18.518 12.424 697 HH21 ARG 87 1HH2 ARG 87 -33.895 18.913 15.652 698 HH22 ARG 87 2HH2 ARG 87 -33.156 19.696 14.229 Start of MODEL 16 1 H1 ALA 1 1H ALA 1 9.789 15.085 1.106 2 HA ALA 1 HA ALA 1 8.990 14.175 -1.450 3 HB1 ALA 1 3HB ALA 1 8.650 17.160 -1.065 4 HB2 ALA 1 1HB ALA 1 8.634 16.313 -2.630 5 HB3 ALA 1 2HB ALA 1 7.375 15.969 -1.420 6 H VAL 2 H VAL 2 11.045 16.431 0.331 7 HA VAL 2 HA VAL 2 13.209 16.799 -1.599 8 HB VAL 2 HB VAL 2 14.600 17.363 0.299 9 HG11 VAL 2 1HG1 VAL 2 13.387 19.476 0.659 10 HG12 VAL 2 2HG1 VAL 2 13.324 18.996 -1.054 11 HG13 VAL 2 3HG1 VAL 2 11.905 18.749 -0.008 12 HG21 VAL 2 3HG2 VAL 2 13.630 16.093 2.078 13 HG22 VAL 2 1HG2 VAL 2 13.610 17.837 2.427 14 HG23 VAL 2 2HG2 VAL 2 12.113 17.012 1.936 15 H ASN 3 H ASN 3 14.318 15.423 -2.564 16 HA ASN 3 HA ASN 3 14.712 12.601 -1.662 17 HB2 ASN 3 1HB ASN 3 15.704 12.299 -3.777 18 HB3 ASN 3 2HB ASN 3 14.091 13.076 -3.886 19 HD21 ASN 3 1HD2 ASN 3 16.380 12.931 -5.818 20 HD22 ASN 3 2HD2 ASN 3 16.644 14.638 -6.266 21 H VAL 4 H VAL 4 15.756 13.354 0.330 22 HA VAL 4 HA VAL 4 18.261 14.573 0.580 23 HB VAL 4 HB VAL 4 18.567 13.312 2.691 24 HG11 VAL 4 1HG1 VAL 4 16.711 14.535 3.746 25 HG12 VAL 4 2HG1 VAL 4 17.498 15.536 2.501 26 HG13 VAL 4 3HG1 VAL 4 15.937 14.752 2.158 27 HG21 VAL 4 3HG2 VAL 4 17.431 11.262 2.227 28 HG22 VAL 4 1HG2 VAL 4 16.713 12.115 3.615 29 HG23 VAL 4 2HG2 VAL 4 15.890 12.133 2.037 30 H GLU 5 H GLU 5 17.774 11.032 0.162 31 HA GLU 5 HA GLU 5 20.300 11.023 -1.439 32 HB2 GLU 5 1HB GLU 5 20.879 10.307 0.943 33 HB3 GLU 5 2HB GLU 5 19.838 8.914 0.715 34 HG2 GLU 5 1HG GLU 5 21.247 8.347 -1.357 35 HG3 GLU 5 2HG GLU 5 22.372 9.589 -0.817 36 H LYS 6 H LYS 6 18.586 11.063 -3.028 37 HA LYS 6 HA LYS 6 16.980 10.120 -4.546 38 HB2 LYS 6 1HB LYS 6 18.977 7.967 -4.177 39 HB3 LYS 6 2HB LYS 6 17.571 7.794 -5.243 40 HG2 LYS 6 1HG LYS 6 18.237 9.746 -6.552 41 HG3 LYS 6 2HG LYS 6 19.471 10.189 -5.391 42 HD2 LYS 6 1HD LYS 6 20.765 8.206 -5.929 43 HD3 LYS 6 2HD LYS 6 19.482 7.631 -7.014 44 HE2 LYS 6 1HE LYS 6 19.822 9.496 -8.536 45 HE3 LYS 6 2HE LYS 6 20.846 10.343 -7.384 46 HZ1 LYS 6 3HZ LYS 6 21.475 7.788 -8.690 47 HZ2 LYS 6 1HZ LYS 6 22.104 9.299 -9.077 48 HZ3 LYS 6 2HZ LYS 6 22.454 8.599 -7.588 49 H GLN 7 H GLN 7 15.488 10.560 -2.790 50 HA GLN 7 HA GLN 7 13.659 10.053 -1.418 51 HB2 GLN 7 1HB GLN 7 13.578 7.599 -3.147 52 HB3 GLN 7 2HB GLN 7 12.370 7.984 -1.942 53 HG2 GLN 7 1HG GLN 7 13.193 9.910 -4.113 54 HG3 GLN 7 2HG GLN 7 11.867 8.715 -4.270 55 HE21 GLN 7 1HE2 GLN 7 10.465 10.508 -4.696 56 HE22 GLN 7 2HE2 GLN 7 9.770 11.393 -3.313 57 H LYS 8 H LYS 8 12.806 7.697 -0.125 58 HA LYS 8 HA LYS 8 15.308 6.678 1.295 59 HB2 LYS 8 1HB LYS 8 13.715 8.446 2.486 60 HB3 LYS 8 2HB LYS 8 12.806 7.009 2.866 61 HG2 LYS 8 1HG LYS 8 14.476 6.088 4.113 62 HG3 LYS 8 2HG LYS 8 15.761 7.019 3.278 63 HD2 LYS 8 1HD LYS 8 14.986 9.127 4.370 64 HD3 LYS 8 2HD LYS 8 13.596 8.333 5.048 65 HE2 LYS 8 1HE LYS 8 15.031 6.969 6.476 66 HE3 LYS 8 2HE LYS 8 16.467 7.734 5.760 67 HZ1 LYS 8 3HZ LYS 8 14.283 9.135 7.174 68 HZ2 LYS 8 1HZ LYS 8 15.809 8.804 7.797 69 HZ3 LYS 8 2HZ LYS 8 15.642 9.859 6.497 70 HA PRO 9 HA PRO 9 13.172 2.990 -0.500 71 HB2 PRO 9 1HB PRO 9 15.383 1.576 -1.036 72 HB3 PRO 9 2HB PRO 9 14.813 2.855 -2.108 73 HG2 PRO 9 1HG PRO 9 17.009 3.000 0.014 74 HG3 PRO 9 2HG PRO 9 17.051 3.606 -1.641 75 HD2 PRO 9 1HD PRO 9 16.389 5.264 0.529 76 HD3 PRO 9 2HD PRO 9 15.613 5.505 -1.104 77 H ALA 10 H ALA 10 12.127 2.138 1.017 78 HA ALA 10 HA ALA 10 13.240 1.299 3.586 79 HB1 ALA 10 3HB ALA 10 10.525 0.962 2.276 80 HB2 ALA 10 1HB ALA 10 10.891 0.624 3.985 81 HB3 ALA 10 2HB ALA 10 11.037 2.283 3.355 82 H VAL 11 H VAL 11 14.720 -0.019 1.790 83 HA VAL 11 HA VAL 11 15.537 -2.086 1.094 84 HB VAL 11 HB VAL 11 13.791 -3.278 3.228 85 HG11 VAL 11 1HG1 VAL 11 15.524 -5.010 3.358 86 HG12 VAL 11 2HG1 VAL 11 14.773 -4.975 1.745 87 HG13 VAL 11 3HG1 VAL 11 16.385 -4.263 1.991 88 HG21 VAL 11 3HG2 VAL 11 15.157 -1.497 4.187 89 HG22 VAL 11 1HG2 VAL 11 15.758 -3.095 4.688 90 HG23 VAL 11 2HG2 VAL 11 16.612 -2.180 3.424 91 H SER 12 H SER 12 14.993 -4.059 -0.108 92 HA SER 12 HA SER 12 12.653 -3.950 -1.832 93 HB2 SER 12 1HB SER 12 14.774 -5.128 -2.402 94 HB3 SER 12 2HB SER 12 14.396 -6.349 -1.180 95 HG SER 12 HG SER 12 12.449 -5.662 -3.207 96 H VAL 13 H VAL 13 10.939 -5.271 -1.979 97 HA VAL 13 HA VAL 13 9.102 -5.585 0.003 98 HB VAL 13 HB VAL 13 8.659 -5.836 -2.417 99 HG11 VAL 13 1HG1 VAL 13 8.914 -7.945 -3.515 100 HG12 VAL 13 2HG1 VAL 13 10.510 -7.322 -3.030 101 HG13 VAL 13 3HG1 VAL 13 9.745 -8.631 -2.099 102 HG21 VAL 13 3HG2 VAL 13 6.961 -6.306 -0.870 103 HG22 VAL 13 1HG2 VAL 13 6.913 -7.381 -2.288 104 HG23 VAL 13 2HG2 VAL 13 7.520 -7.989 -0.729 105 H ARG 14 H ARG 14 11.660 -7.945 -0.612 106 HA ARG 14 HA ARG 14 11.085 -10.225 0.939 107 HB2 ARG 14 1HB ARG 14 13.611 -8.591 0.829 108 HB3 ARG 14 2HB ARG 14 13.456 -10.210 1.589 109 HG2 ARG 14 1HG ARG 14 12.781 -11.110 -0.623 110 HG3 ARG 14 2HG ARG 14 13.133 -9.505 -1.332 111 HD2 ARG 14 1HD ARG 14 15.493 -9.659 -0.572 112 HD3 ARG 14 2HD ARG 14 15.167 -11.169 0.266 113 HE ARG 14 HE ARG 14 14.482 -11.368 -2.535 114 HH11 ARG 14 1HH1 ARG 14 17.157 -11.729 -0.185 115 HH12 ARG 14 2HH1 ARG 14 18.193 -12.555 -1.381 116 HH21 ARG 14 1HH2 ARG 14 15.809 -12.522 -3.936 117 HH22 ARG 14 2HH2 ARG 14 17.453 -12.992 -3.429 118 H LYS 15 H LYS 15 11.989 -7.034 2.259 119 HA LYS 15 HA LYS 15 11.253 -8.135 4.966 120 HB2 LYS 15 1HB LYS 15 13.771 -7.490 4.191 121 HB3 LYS 15 2HB LYS 15 13.250 -5.982 4.953 122 HG2 LYS 15 1HG LYS 15 13.107 -6.930 7.035 123 HG3 LYS 15 2HG LYS 15 12.530 -8.485 6.410 124 HD2 LYS 15 1HD LYS 15 14.833 -9.041 5.642 125 HD3 LYS 15 2HD LYS 15 15.416 -7.482 6.208 126 HE2 LYS 15 1HE LYS 15 14.946 -8.063 8.517 127 HE3 LYS 15 2HE LYS 15 14.114 -9.542 8.030 128 HZ1 LYS 15 3HZ LYS 15 16.956 -8.933 7.568 129 HZ2 LYS 15 1HZ LYS 15 16.331 -9.969 8.735 130 HZ3 LYS 15 2HZ LYS 15 16.163 -10.341 7.105 131 H SER 16 H SER 16 9.647 -6.529 2.930 132 HA SER 16 HA SER 16 8.908 -3.962 4.153 133 HB2 SER 16 1HB SER 16 7.220 -5.856 2.508 134 HB3 SER 16 2HB SER 16 6.818 -4.198 2.935 135 HG SER 16 HG SER 16 8.766 -3.489 1.823 136 H VAL 17 H VAL 17 7.979 -7.265 4.751 137 HA VAL 17 HA VAL 17 5.976 -6.701 6.828 138 HB VAL 17 HB VAL 17 7.300 -9.155 5.670 139 HG11 VAL 17 1HG1 VAL 17 5.806 -10.592 6.980 140 HG12 VAL 17 2HG1 VAL 17 6.939 -9.714 8.035 141 HG13 VAL 17 3HG1 VAL 17 5.246 -9.181 7.909 142 HG21 VAL 17 3HG2 VAL 17 5.521 -8.062 4.360 143 HG22 VAL 17 1HG2 VAL 17 4.964 -9.639 4.970 144 HG23 VAL 17 2HG2 VAL 17 4.426 -8.139 5.761 145 H GLN 18 H GLN 18 6.587 -5.896 8.712 146 HA GLN 18 HA GLN 18 9.070 -7.018 10.088 147 HB2 GLN 18 1HB GLN 18 8.038 -4.226 10.433 148 HB3 GLN 18 2HB GLN 18 9.595 -4.943 10.960 149 HG2 GLN 18 1HG GLN 18 10.239 -5.132 8.506 150 HG3 GLN 18 2HG GLN 18 8.781 -4.267 8.087 151 HE21 GLN 18 1HE2 GLN 18 11.998 -4.098 8.942 152 HE22 GLN 18 2HE2 GLN 18 12.111 -2.328 9.137 153 H ASP 19 H ASP 19 8.839 -6.096 12.563 154 HA ASP 19 HA ASP 19 6.859 -7.796 13.788 155 HB2 ASP 19 1HB ASP 19 8.944 -5.923 14.714 156 HB3 ASP 19 2HB ASP 19 7.641 -6.372 15.864 157 H ASP 20 H ASP 20 4.877 -7.131 12.920 158 HA ASP 20 HA ASP 20 2.846 -5.909 12.744 159 HB2 ASP 20 1HB ASP 20 2.670 -6.700 15.041 160 HB3 ASP 20 2HB ASP 20 3.319 -5.175 15.601 161 H HIS 21 H HIS 21 4.937 -4.648 11.517 162 HA HIS 21 HA HIS 21 3.819 -1.931 11.290 163 HB2 HIS 21 1HB HIS 21 5.854 -0.696 11.597 164 HB3 HIS 21 2HB HIS 21 5.143 -1.377 13.104 165 HD2 HIS 21 HD2 HIS 21 8.313 -1.400 11.008 166 HE1 HIS 21 HE1 HIS 21 9.171 -3.463 14.585 167 HE2 HIS 21 HE2 HIS 21 10.182 -2.403 12.466 168 H ILE 22 H ILE 22 3.508 -1.896 9.282 169 HA ILE 22 HA ILE 22 5.313 -3.051 7.247 170 HB ILE 22 HB ILE 22 2.734 -2.867 7.148 171 HG12 ILE 22 1HG1 ILE 22 4.103 -1.968 4.654 172 HG13 ILE 22 2HG1 ILE 22 4.418 -3.553 5.326 173 HG21 ILE 22 1HG2 ILE 22 1.853 -0.895 6.098 174 HG22 ILE 22 2HG2 ILE 22 2.530 -0.479 7.690 175 HG23 ILE 22 3HG2 ILE 22 3.433 -0.082 6.209 176 HD11 ILE 22 3HD1 ILE 22 1.685 -2.444 4.624 177 HD12 ILE 22 1HD1 ILE 22 2.626 -3.634 3.693 178 HD13 ILE 22 2HD1 ILE 22 2.005 -4.056 5.307 179 H VAL 23 H VAL 23 7.011 -2.159 6.354 180 HA VAL 23 HA VAL 23 7.956 0.556 7.136 181 HB VAL 23 HB VAL 23 9.308 -1.465 7.098 182 HG11 VAL 23 1HG1 VAL 23 10.442 -2.091 5.020 183 HG12 VAL 23 2HG1 VAL 23 8.705 -2.468 4.941 184 HG13 VAL 23 3HG1 VAL 23 9.346 -1.040 4.093 185 HG21 VAL 23 3HG2 VAL 23 10.200 0.622 7.488 186 HG22 VAL 23 1HG2 VAL 23 11.284 -0.313 6.430 187 HG23 VAL 23 2HG2 VAL 23 10.277 0.987 5.747 188 H CYS 24 H CYS 24 7.631 2.411 6.167 189 HA CYS 24 HA CYS 24 5.936 2.491 3.803 190 HB2 CYS 24 1HB CYS 24 5.722 4.138 5.616 191 HB3 CYS 24 2HB CYS 24 7.316 4.793 5.194 192 H LEU 25 H LEU 25 6.901 1.713 2.022 193 HA LEU 25 HA LEU 25 9.506 2.287 0.991 194 HB2 LEU 25 1HB LEU 25 6.874 1.699 -0.271 195 HB3 LEU 25 2HB LEU 25 8.286 2.194 -1.271 196 HG LEU 25 HG LEU 25 8.048 -0.273 -1.241 197 HD11 LEU 25 1HD1 LEU 25 10.265 -0.885 -0.492 198 HD12 LEU 25 2HD1 LEU 25 10.320 0.662 -1.370 199 HD13 LEU 25 3HD1 LEU 25 10.417 0.643 0.407 200 HD21 LEU 25 3HD2 LEU 25 6.800 -0.597 0.713 201 HD22 LEU 25 1HD2 LEU 25 8.266 -1.605 0.677 202 HD23 LEU 25 2HD2 LEU 25 8.203 -0.163 1.718 203 H GLU 26 H GLU 26 10.417 3.878 -0.025 204 HA GLU 26 HA GLU 26 10.884 5.984 -0.863 205 HB2 GLU 26 1HB GLU 26 8.336 5.781 -1.752 206 HB3 GLU 26 2HB GLU 26 8.178 7.179 -0.728 207 HG2 GLU 26 1HG GLU 26 9.909 8.372 -1.959 208 HG3 GLU 26 2HG GLU 26 10.357 6.948 -2.843 209 H CYS 27 H CYS 27 9.556 5.417 2.194 210 HA CYS 27 HA CYS 27 10.189 8.190 3.134 211 HB2 CYS 27 1HB CYS 27 7.902 6.398 3.941 212 HB3 CYS 27 2HB CYS 27 8.460 7.758 4.934 213 H GLY 28 H GLY 28 9.666 4.776 4.372 214 HA2 GLY 28 1HA GLY 28 11.678 3.549 5.377 215 HA3 GLY 28 2HA GLY 28 12.243 5.050 6.018 216 H GLY 29 H GLY 29 9.885 6.120 7.081 217 HA2 GLY 29 1HA GLY 29 9.615 4.809 9.660 218 HA3 GLY 29 2HA GLY 29 8.499 5.991 9.019 219 H SER 30 H SER 30 7.878 3.764 10.644 220 HA SER 30 HA SER 30 6.221 2.010 8.738 221 HB2 SER 30 1HB SER 30 7.643 1.229 11.264 222 HB3 SER 30 2HB SER 30 6.469 0.234 10.377 223 HG SER 30 HG SER 30 8.149 1.085 8.493 224 H PHE 31 H PHE 31 4.201 1.667 9.046 225 HA PHE 31 HA PHE 31 2.909 2.677 11.548 226 HB2 PHE 31 1HB PHE 31 1.235 3.950 10.168 227 HB3 PHE 31 2HB PHE 31 2.882 4.638 10.331 228 HD1 PHE 31 HD1 PHE 31 1.444 2.049 7.912 229 HD2 PHE 31 HD2 PHE 31 3.370 5.840 8.505 230 HE1 PHE 31 HE1 PHE 31 2.445 1.895 5.654 231 HE2 PHE 31 HE2 PHE 31 4.310 5.711 6.223 232 HZ PHE 31 HZ PHE 31 3.818 3.757 4.788 233 H LYS 32 H LYS 32 3.103 -0.021 10.340 234 HA LYS 32 HA LYS 32 1.842 -1.930 10.186 235 HB2 LYS 32 1HB LYS 32 -0.397 -0.353 11.511 236 HB3 LYS 32 2HB LYS 32 -0.383 -2.075 11.295 237 HG2 LYS 32 1HG LYS 32 1.180 -2.417 12.927 238 HG3 LYS 32 2HG LYS 32 1.991 -0.877 12.655 239 HD2 LYS 32 1HD LYS 32 -0.819 -1.047 13.815 240 HD3 LYS 32 2HD LYS 32 0.634 -1.057 14.813 241 HE2 LYS 32 1HE LYS 32 1.273 1.164 14.032 242 HE3 LYS 32 2HE LYS 32 0.021 1.159 12.801 243 HZ1 LYS 32 3HZ LYS 32 -0.419 1.097 15.701 244 HZ2 LYS 32 1HZ LYS 32 -0.599 2.420 14.679 245 HZ3 LYS 32 2HZ LYS 32 -1.618 1.092 14.522 246 H SER 33 H SER 33 -0.397 0.707 9.188 247 HA SER 33 HA SER 33 -1.412 -1.025 6.893 248 HB2 SER 33 1HB SER 33 -3.396 0.387 6.963 249 HB3 SER 33 2HB SER 33 -3.141 -0.484 8.485 250 HG SER 33 HG SER 33 -1.890 2.062 8.324 251 H LEU 34 H LEU 34 0.052 -0.636 5.367 252 HA LEU 34 HA LEU 34 1.051 1.964 4.629 253 HB2 LEU 34 1HB LEU 34 2.262 0.047 4.169 254 HB3 LEU 34 2HB LEU 34 0.985 -0.532 3.035 255 HG LEU 34 HG LEU 34 1.541 1.087 1.440 256 HD11 LEU 34 1HD1 LEU 34 3.261 2.813 1.707 257 HD12 LEU 34 2HD1 LEU 34 1.920 3.064 2.848 258 HD13 LEU 34 3HD1 LEU 34 3.456 2.369 3.418 259 HD21 LEU 34 3HD2 LEU 34 3.110 -0.852 1.640 260 HD22 LEU 34 1HD2 LEU 34 3.986 0.598 1.098 261 HD23 LEU 34 2HD2 LEU 34 4.103 0.071 2.793 262 H LYS 35 H LYS 35 -1.767 0.130 3.424 263 HA LYS 35 HA LYS 35 -2.633 1.639 1.159 264 HB2 LYS 35 1HB LYS 35 -4.844 0.951 1.680 265 HB3 LYS 35 2HB LYS 35 -3.659 -0.388 1.796 266 HG2 LYS 35 1HG LYS 35 -4.121 -0.740 4.014 267 HG3 LYS 35 2HG LYS 35 -4.229 0.977 4.376 268 HD2 LYS 35 1HD LYS 35 -6.485 0.926 3.120 269 HD3 LYS 35 2HD LYS 35 -6.364 -0.839 3.253 270 HE2 LYS 35 1HE LYS 35 -6.208 -0.677 5.714 271 HE3 LYS 35 2HE LYS 35 -6.182 1.080 5.632 272 HZ1 LYS 35 3HZ LYS 35 -8.388 -0.652 4.755 273 HZ2 LYS 35 1HZ LYS 35 -8.322 0.255 6.170 274 HZ3 LYS 35 2HZ LYS 35 -8.364 1.027 4.676 275 H ARG 36 H ARG 36 -3.222 2.353 4.552 276 HA ARG 36 HA ARG 36 -4.759 4.749 4.355 277 HB2 ARG 36 1HB ARG 36 -3.474 3.104 6.279 278 HB3 ARG 36 2HB ARG 36 -2.934 4.787 6.567 279 HG2 ARG 36 1HG ARG 36 -5.878 4.387 6.180 280 HG3 ARG 36 2HG ARG 36 -5.202 3.757 7.668 281 HD2 ARG 36 1HD ARG 36 -4.135 5.993 8.050 282 HD3 ARG 36 2HD ARG 36 -5.061 6.587 6.638 283 HE ARG 36 HE ARG 36 -6.965 5.280 8.174 284 HH11 ARG 36 1HH1 ARG 36 -4.694 7.925 9.035 285 HH12 ARG 36 2HH1 ARG 36 -5.849 8.612 10.209 286 HH21 ARG 36 1HH2 ARG 36 -8.311 6.179 9.704 287 HH22 ARG 36 2HH2 ARG 36 -7.822 7.656 10.576 288 H HIS 37 H HIS 37 -1.306 4.644 5.296 289 HA HIS 37 HA HIS 37 -0.687 7.346 4.913 290 HB2 HIS 37 1HB HIS 37 0.727 5.943 6.144 291 HB3 HIS 37 2HB HIS 37 1.079 4.938 4.703 292 HD1 HIS 37 HD1 HIS 37 2.165 7.965 6.561 293 HD2 HIS 37 HD2 HIS 37 2.699 6.288 2.722 294 HE1 HIS 37 HE1 HIS 37 4.166 9.166 5.490 295 H LEU 38 H LEU 38 -0.475 4.627 2.662 296 HA LEU 38 HA LEU 38 0.681 5.719 0.362 297 HB2 LEU 38 1HB LEU 38 -0.338 3.370 1.046 298 HB3 LEU 38 2HB LEU 38 -1.683 3.970 0.018 299 HG LEU 38 HG LEU 38 0.006 2.522 -1.197 300 HD11 LEU 38 1HD1 LEU 38 0.209 3.972 -3.133 301 HD12 LEU 38 2HD1 LEU 38 -1.410 4.125 -2.414 302 HD13 LEU 38 3HD1 LEU 38 -0.193 5.394 -2.143 303 HD21 LEU 38 3HD2 LEU 38 1.960 3.122 0.036 304 HD22 LEU 38 1HD2 LEU 38 2.171 3.407 -1.708 305 HD23 LEU 38 2HD2 LEU 38 1.888 4.779 -0.610 306 H THR 39 H THR 39 -2.882 5.354 0.673 307 HA THR 39 HA THR 39 -3.610 7.279 -1.387 308 HB THR 39 HB THR 39 -5.349 6.248 0.839 309 HG1 THR 39 HG1 THR 39 -5.758 4.908 -1.359 310 HG21 THR 39 3HG2 THR 39 -5.955 7.258 -1.936 311 HG22 THR 39 1HG2 THR 39 -7.100 6.584 -0.752 312 HG23 THR 39 2HG2 THR 39 -6.285 8.130 -0.420 313 H THR 40 H THR 40 -2.968 7.789 2.072 314 HA THR 40 HA THR 40 -3.889 10.526 2.182 315 HB THR 40 HB THR 40 -1.836 9.165 3.987 316 HG1 THR 40 HG1 THR 40 -4.629 9.531 4.508 317 HG21 THR 40 3HG2 THR 40 -3.624 11.544 4.467 318 HG22 THR 40 1HG2 THR 40 -2.542 10.746 5.634 319 HG23 THR 40 2HG2 THR 40 -1.861 11.603 4.231 320 H HIS 41 H HIS 41 -0.500 9.304 1.943 321 HA HIS 41 HA HIS 41 0.452 12.101 1.521 322 HB2 HIS 41 1HB HIS 41 1.801 9.632 2.568 323 HB3 HIS 41 2HB HIS 41 2.767 10.892 1.880 324 HD2 HIS 41 HD2 HIS 41 3.827 11.534 4.107 325 HE1 HIS 41 HE1 HIS 41 0.395 12.923 6.132 326 HE2 HIS 41 HE2 HIS 41 2.964 12.736 6.213 327 H HIS 42 H HIS 42 1.884 9.076 0.266 328 HA HIS 42 HA HIS 42 2.574 10.024 -2.318 329 HB2 HIS 42 1HB HIS 42 1.814 7.193 -1.908 330 HB3 HIS 42 2HB HIS 42 3.165 7.929 -2.826 331 HD1 HIS 42 HD1 HIS 42 5.377 8.315 -1.631 332 HD2 HIS 42 HD2 HIS 42 2.274 6.967 0.897 333 HE1 HIS 42 HE1 HIS 42 6.455 7.709 0.620 334 H SER 43 H SER 43 -0.579 9.463 -0.971 335 HA SER 43 HA SER 43 -2.726 9.450 -1.872 336 HB2 SER 43 1HB SER 43 -1.527 10.574 -4.413 337 HB3 SER 43 2HB SER 43 -3.225 10.531 -3.984 338 HG SER 43 HG SER 43 -1.179 12.237 -3.147 339 H MET 44 H MET 44 -3.868 8.687 -4.206 340 HA MET 44 HA MET 44 -4.295 6.918 -5.772 341 HB2 MET 44 1HB MET 44 -1.404 6.207 -5.509 342 HB3 MET 44 2HB MET 44 -2.567 5.756 -6.795 343 HG2 MET 44 1HG MET 44 -2.677 8.020 -7.572 344 HG3 MET 44 2HG MET 44 -1.686 8.588 -6.192 345 HE1 MET 44 3HE MET 44 0.569 6.249 -6.115 346 HE2 MET 44 1HE MET 44 1.837 6.993 -7.118 347 HE3 MET 44 2HE MET 44 0.944 7.980 -5.936 348 H THR 45 H THR 45 -4.452 4.703 -6.112 349 HA THR 45 HA THR 45 -5.095 3.236 -3.681 350 HB THR 45 HB THR 45 -5.419 1.341 -5.427 351 HG1 THR 45 HG1 THR 45 -5.153 3.671 -7.060 352 HG21 THR 45 3HG2 THR 45 -7.103 3.878 -5.178 353 HG22 THR 45 1HG2 THR 45 -7.700 2.293 -5.726 354 HG23 THR 45 2HG2 THR 45 -7.128 2.500 -4.053 355 HA PRO 46 HA PRO 46 -1.487 1.141 -2.493 356 HB2 PRO 46 1HB PRO 46 -2.454 -1.324 -1.897 357 HB3 PRO 46 2HB PRO 46 -2.543 0.160 -0.840 358 HG2 PRO 46 1HG PRO 46 -4.715 -1.013 -2.692 359 HG3 PRO 46 2HG PRO 46 -4.924 -0.461 -1.037 360 HD2 PRO 46 1HD PRO 46 -5.499 1.258 -3.042 361 HD3 PRO 46 2HD PRO 46 -4.621 1.868 -1.640 362 H GLU 47 H GLU 47 -3.549 -0.954 -4.552 363 HA GLU 47 HA GLU 47 -1.422 -2.578 -5.602 364 HB2 GLU 47 1HB GLU 47 -4.174 -2.525 -5.750 365 HB3 GLU 47 2HB GLU 47 -3.684 -2.177 -7.412 366 HG2 GLU 47 1HG GLU 47 -2.511 -4.193 -7.630 367 HG3 GLU 47 2HG GLU 47 -2.351 -4.405 -5.870 368 H GLU 48 H GLU 48 -2.797 0.503 -6.810 369 HA GLU 48 HA GLU 48 -1.275 0.673 -9.274 370 HB2 GLU 48 1HB GLU 48 -3.271 2.036 -8.299 371 HB3 GLU 48 2HB GLU 48 -1.960 3.075 -7.655 372 HG2 GLU 48 1HG GLU 48 -2.154 2.380 -10.634 373 HG3 GLU 48 2HG GLU 48 -2.933 3.773 -9.971 374 H TYR 49 H TYR 49 -0.532 1.686 -5.919 375 HA TYR 49 HA TYR 49 2.046 2.844 -6.435 376 HB2 TYR 49 1HB TYR 49 0.707 3.053 -4.291 377 HB3 TYR 49 2HB TYR 49 1.217 1.432 -3.872 378 HD1 TYR 49 HD1 TYR 49 2.424 4.847 -4.641 379 HD2 TYR 49 HD2 TYR 49 3.382 1.000 -2.991 380 HE1 TYR 49 HE1 TYR 49 4.426 5.819 -3.550 381 HE2 TYR 49 HE2 TYR 49 5.372 1.975 -1.880 382 HH TYR 49 HH TYR 49 6.738 4.897 -2.703 383 H ARG 50 H ARG 50 1.153 -0.598 -5.870 384 HA ARG 50 HA ARG 50 3.824 -1.668 -5.538 385 HB2 ARG 50 1HB ARG 50 3.139 -3.659 -5.761 386 HB3 ARG 50 2HB ARG 50 1.637 -2.801 -5.238 387 HG2 ARG 50 1HG ARG 50 0.867 -4.396 -6.825 388 HG3 ARG 50 2HG ARG 50 0.970 -2.952 -7.769 389 HD2 ARG 50 1HD ARG 50 3.007 -3.653 -8.806 390 HD3 ARG 50 2HD ARG 50 3.186 -5.003 -7.681 391 HE ARG 50 HE ARG 50 1.443 -6.168 -8.739 392 HH11 ARG 50 1HH1 ARG 50 2.031 -3.059 -10.424 393 HH12 ARG 50 2HH1 ARG 50 1.006 -3.544 -11.802 394 HH21 ARG 50 1HH2 ARG 50 0.252 -6.719 -10.532 395 HH22 ARG 50 2HH2 ARG 50 0.035 -5.551 -11.862 396 H GLU 51 H GLU 51 2.082 -0.675 -8.471 397 HA GLU 51 HA GLU 51 3.914 -1.655 -10.484 398 HB2 GLU 51 1HB GLU 51 1.603 -0.817 -10.771 399 HB3 GLU 51 2HB GLU 51 2.261 0.844 -10.583 400 HG2 GLU 51 1HG GLU 51 3.223 -1.072 -12.704 401 HG3 GLU 51 2HG GLU 51 1.835 0.036 -12.940 402 H LYS 52 H LYS 52 3.840 1.459 -8.703 403 HA LYS 52 HA LYS 52 6.080 2.822 -9.863 404 HB2 LYS 52 1HB LYS 52 4.654 3.977 -8.495 405 HB3 LYS 52 2HB LYS 52 4.866 2.813 -7.139 406 HG2 LYS 52 1HG LYS 52 6.025 4.993 -6.671 407 HG3 LYS 52 2HG LYS 52 7.175 3.705 -6.767 408 HD2 LYS 52 1HD LYS 52 7.581 4.377 -9.181 409 HD3 LYS 52 2HD LYS 52 6.609 5.814 -8.831 410 HE2 LYS 52 1HE LYS 52 8.125 6.476 -7.037 411 HE3 LYS 52 2HE LYS 52 9.024 4.960 -7.174 412 HZ1 LYS 52 3HZ LYS 52 8.784 7.018 -9.266 413 HZ2 LYS 52 1HZ LYS 52 10.121 6.742 -8.286 414 HZ3 LYS 52 2HZ LYS 52 9.640 5.575 -9.397 415 H TRP 53 H TRP 53 6.139 0.699 -6.976 416 HA TRP 53 HA TRP 53 9.093 0.573 -7.061 417 HB2 TRP 53 1HB TRP 53 6.977 -0.516 -5.174 418 HB3 TRP 53 2HB TRP 53 8.665 -0.949 -5.008 419 HD1 TRP 53 HD1 TRP 53 6.314 2.041 -4.710 420 HE1 TRP 53 HE1 TRP 53 7.491 3.918 -3.430 421 HE3 TRP 53 HE3 TRP 53 10.879 -0.074 -4.474 422 HZ2 TRP 53 HZ2 TRP 53 10.132 4.436 -2.562 423 HZ3 TRP 53 HZ3 TRP 53 12.736 1.110 -3.331 424 HH2 TRP 53 HH2 TRP 53 12.365 3.375 -2.388 425 H ASP 54 H ASP 54 6.995 -0.943 -8.966 426 HA ASP 54 HA ASP 54 6.777 -2.949 -10.077 427 HB2 ASP 54 1HB ASP 54 9.778 -3.299 -9.684 428 HB3 ASP 54 2HB ASP 54 8.806 -3.915 -10.982 429 H LEU 55 H LEU 55 6.198 -3.106 -7.315 430 HA LEU 55 HA LEU 55 7.626 -5.125 -5.865 431 HB2 LEU 55 1HB LEU 55 5.778 -3.106 -5.411 432 HB3 LEU 55 2HB LEU 55 5.019 -4.621 -4.820 433 HG LEU 55 HG LEU 55 6.884 -4.988 -3.254 434 HD11 LEU 55 1HD1 LEU 55 8.751 -3.521 -3.048 435 HD12 LEU 55 2HD1 LEU 55 8.740 -4.252 -4.670 436 HD13 LEU 55 3HD1 LEU 55 8.215 -2.565 -4.450 437 HD21 LEU 55 3HD2 LEU 55 5.092 -3.428 -2.596 438 HD22 LEU 55 1HD2 LEU 55 6.669 -2.989 -1.899 439 HD23 LEU 55 2HD2 LEU 55 6.026 -2.081 -3.288 440 HA PRO 56 HA PRO 56 5.802 -8.741 -7.937 441 HB2 PRO 56 1HB PRO 56 7.152 -10.606 -6.533 442 HB3 PRO 56 2HB PRO 56 7.869 -9.716 -7.875 443 HG2 PRO 56 1HG PRO 56 8.138 -9.173 -4.882 444 HG3 PRO 56 2HG PRO 56 9.407 -9.191 -6.106 445 HD2 PRO 56 1HD PRO 56 8.205 -6.794 -5.298 446 HD3 PRO 56 2HD PRO 56 8.674 -7.036 -7.048 447 H VAL 57 H VAL 57 4.476 -10.309 -7.550 448 HA VAL 57 HA VAL 57 2.420 -11.033 -6.850 449 HB VAL 57 HB VAL 57 3.978 -12.283 -5.483 450 HG11 VAL 57 1HG1 VAL 57 3.768 -12.139 -3.049 451 HG12 VAL 57 2HG1 VAL 57 4.556 -10.687 -3.710 452 HG13 VAL 57 3HG1 VAL 57 2.850 -10.623 -3.205 453 HG21 VAL 57 3HG2 VAL 57 1.847 -13.040 -6.040 454 HG22 VAL 57 1HG2 VAL 57 2.205 -13.432 -4.342 455 HG23 VAL 57 2HG2 VAL 57 1.102 -12.092 -4.732 456 H ASP 58 H ASP 58 2.934 -8.036 -6.729 457 HA ASP 58 HA ASP 58 1.870 -6.088 -6.110 458 HB2 ASP 58 1HB ASP 58 -0.535 -6.069 -6.063 459 HB3 ASP 58 2HB ASP 58 0.308 -6.688 -7.526 460 H TYR 59 H TYR 59 3.168 -7.177 -4.009 461 HA TYR 59 HA TYR 59 2.613 -7.729 -1.580 462 HB2 TYR 59 1HB TYR 59 4.704 -6.622 -2.168 463 HB3 TYR 59 2HB TYR 59 3.933 -5.060 -2.158 464 HD1 TYR 59 HD1 TYR 59 4.556 -8.022 0.039 465 HD2 TYR 59 HD2 TYR 59 3.835 -3.803 -0.229 466 HE1 TYR 59 HE1 TYR 59 4.666 -7.852 2.507 467 HE2 TYR 59 HE2 TYR 59 3.976 -3.621 2.237 468 HH TYR 59 HH TYR 59 4.700 -4.609 4.087 469 HA PRO 60 HA PRO 60 -1.248 -5.823 -0.286 470 HB2 PRO 60 1HB PRO 60 -1.452 -7.080 2.120 471 HB3 PRO 60 2HB PRO 60 -1.844 -7.889 0.604 472 HG2 PRO 60 1HG PRO 60 0.757 -8.024 2.204 473 HG3 PRO 60 2HG PRO 60 -0.152 -9.354 1.493 474 HD2 PRO 60 1HD PRO 60 2.019 -8.189 0.150 475 HD3 PRO 60 2HD PRO 60 0.558 -8.761 -0.788 476 H MET 61 H MET 61 -1.574 -3.975 0.559 477 HA MET 61 HA MET 61 0.653 -2.664 2.134 478 HB2 MET 61 1HB MET 61 -1.726 -1.425 0.812 479 HB3 MET 61 2HB MET 61 -0.278 -0.621 1.499 480 HG2 MET 61 1HG MET 61 -0.412 -2.412 -0.929 481 HG3 MET 61 2HG MET 61 -0.119 -0.639 -0.885 482 HE1 MET 61 3HE MET 61 1.899 -0.679 -2.403 483 HE2 MET 61 1HE MET 61 3.249 -1.831 -2.274 484 HE3 MET 61 2HE MET 61 1.613 -2.416 -2.664 485 H VAL 62 H VAL 62 -0.817 -4.585 3.531 486 HA VAL 62 HA VAL 62 -2.305 -2.879 5.492 487 HB VAL 62 HB VAL 62 -3.145 -5.758 4.969 488 HG11 VAL 62 1HG1 VAL 62 -5.237 -4.969 6.010 489 HG12 VAL 62 2HG1 VAL 62 -3.850 -4.691 7.089 490 HG13 VAL 62 3HG1 VAL 62 -4.549 -3.336 6.173 491 HG21 VAL 62 3HG2 VAL 62 -3.458 -4.665 2.834 492 HG22 VAL 62 1HG2 VAL 62 -5.007 -5.016 3.638 493 HG23 VAL 62 2HG2 VAL 62 -4.368 -3.356 3.626 494 H ALA 63 H ALA 63 -2.215 -3.874 7.717 495 HA ALA 63 HA ALA 63 0.273 -4.331 8.862 496 HB1 ALA 63 3HB ALA 63 -2.287 -5.692 9.661 497 HB2 ALA 63 1HB ALA 63 -0.839 -5.444 10.666 498 HB3 ALA 63 2HB ALA 63 -1.782 -4.045 10.103 499 HA PRO 64 HA PRO 64 2.315 -7.633 7.098 500 HB2 PRO 64 1HB PRO 64 3.774 -8.567 9.152 501 HB3 PRO 64 2HB PRO 64 4.142 -7.118 8.097 502 HG2 PRO 64 1HG PRO 64 2.840 -7.180 10.897 503 HG3 PRO 64 2HG PRO 64 4.115 -6.095 10.349 504 HD2 PRO 64 1HD PRO 64 1.545 -5.242 10.267 505 HD3 PRO 64 2HD PRO 64 2.615 -4.848 8.923 506 H ALA 65 H ALA 65 0.588 -8.426 10.109 507 HA ALA 65 HA ALA 65 0.141 -11.157 8.915 508 HB1 ALA 65 3HB ALA 65 0.306 -10.373 11.834 509 HB2 ALA 65 1HB ALA 65 -0.119 -11.990 11.224 510 HB3 ALA 65 2HB ALA 65 1.494 -11.313 10.900 511 H TYR 66 H TYR 66 -1.521 -8.659 8.558 512 HA TYR 66 HA TYR 66 -3.735 -8.412 10.237 513 HB2 TYR 66 1HB TYR 66 -3.210 -6.760 8.708 514 HB3 TYR 66 2HB TYR 66 -3.523 -7.846 7.317 515 HD1 TYR 66 HD1 TYR 66 -5.224 -6.233 10.258 516 HD2 TYR 66 HD2 TYR 66 -5.616 -7.875 6.312 517 HE1 TYR 66 HE1 TYR 66 -7.635 -5.664 10.257 518 HE2 TYR 66 HE2 TYR 66 -8.039 -7.354 6.327 519 HH TYR 66 HH TYR 66 -9.375 -5.103 8.326 520 H ALA 67 H ALA 67 -4.547 -9.643 6.997 521 HA ALA 67 HA ALA 67 -6.665 -11.382 8.146 522 HB1 ALA 67 3HB ALA 67 -5.838 -10.836 5.294 523 HB2 ALA 67 1HB ALA 67 -7.267 -11.759 5.815 524 HB3 ALA 67 2HB ALA 67 -7.136 -10.028 6.204 525 H GLU 68 H GLU 68 -4.993 -12.457 9.345 526 HA GLU 68 HA GLU 68 -3.606 -14.324 9.896 527 HB2 GLU 68 1HB GLU 68 -5.938 -15.226 9.025 528 HB3 GLU 68 2HB GLU 68 -4.910 -15.964 7.820 529 HG2 GLU 68 1HG GLU 68 -5.026 -17.528 9.607 530 HG3 GLU 68 2HG GLU 68 -3.444 -16.799 9.781 531 H ALA 69 H ALA 69 -2.369 -12.476 8.168 532 HA ALA 69 HA ALA 69 -0.775 -12.145 6.543 533 HB1 ALA 69 3HB ALA 69 0.329 -14.608 7.839 534 HB2 ALA 69 1HB ALA 69 1.232 -13.485 6.795 535 HB3 ALA 69 2HB ALA 69 0.541 -12.911 8.330 536 H ARG 70 H ARG 70 -3.048 -13.517 5.391 537 HA ARG 70 HA ARG 70 -1.687 -15.144 3.246 538 HB2 ARG 70 1HB ARG 70 -4.334 -15.354 4.622 539 HB3 ARG 70 2HB ARG 70 -4.188 -15.904 2.922 540 HG2 ARG 70 1HG ARG 70 -2.356 -17.391 3.603 541 HG3 ARG 70 2HG ARG 70 -2.630 -16.893 5.308 542 HD2 ARG 70 1HD ARG 70 -4.813 -17.874 5.357 543 HD3 ARG 70 2HD ARG 70 -4.928 -17.920 3.589 544 HE ARG 70 HE ARG 70 -2.730 -19.551 4.522 545 HH11 ARG 70 1HH1 ARG 70 -6.302 -19.595 4.205 546 HH12 ARG 70 2HH1 ARG 70 -6.345 -21.377 4.153 547 HH21 ARG 70 1HH2 ARG 70 -2.873 -21.785 4.384 548 HH22 ARG 70 2HH2 ARG 70 -4.467 -22.575 4.250 549 H SER 71 H SER 71 -1.163 -13.085 2.154 550 HA SER 71 HA SER 71 -1.594 -11.344 0.653 551 HB2 SER 71 1HB SER 71 -3.043 -13.655 -0.647 552 HB3 SER 71 2HB SER 71 -2.474 -12.194 -1.474 553 HG SER 71 HG SER 71 -1.074 -14.359 -1.204 554 H ARG 72 H ARG 72 -3.128 -10.534 2.531 555 HA ARG 72 HA ARG 72 -5.152 -9.483 3.277 556 HB2 ARG 72 1HB ARG 72 -4.312 -8.057 1.381 557 HB3 ARG 72 2HB ARG 72 -5.694 -8.716 0.485 558 HG2 ARG 72 1HG ARG 72 -7.018 -8.098 2.767 559 HG3 ARG 72 2HG ARG 72 -5.712 -6.969 2.969 560 HD2 ARG 72 1HD ARG 72 -6.178 -5.945 0.859 561 HD3 ARG 72 2HD ARG 72 -7.453 -7.170 0.532 562 HE ARG 72 HE ARG 72 -7.593 -5.591 3.072 563 HH11 ARG 72 1HH1 ARG 72 -9.246 -6.461 0.019 564 HH12 ARG 72 2HH1 ARG 72 -10.634 -5.406 0.396 565 HH21 ARG 72 1HH2 ARG 72 -9.428 -4.450 3.541 566 HH22 ARG 72 2HH2 ARG 72 -10.737 -4.307 2.338 567 H LEU 73 H LEU 73 -5.399 -12.187 3.048 568 HA LEU 73 HA LEU 73 -7.007 -13.871 3.268 569 HB2 LEU 73 1HB LEU 73 -8.492 -12.158 4.272 570 HB3 LEU 73 2HB LEU 73 -9.230 -11.946 2.713 571 HG LEU 73 HG LEU 73 -9.647 -14.482 2.706 572 HD11 LEU 73 1HD1 LEU 73 -9.709 -15.536 4.903 573 HD12 LEU 73 2HD1 LEU 73 -8.042 -15.077 4.483 574 HD13 LEU 73 3HD1 LEU 73 -8.971 -14.094 5.639 575 HD21 LEU 73 3HD2 LEU 73 -11.355 -12.796 3.001 576 HD22 LEU 73 1HD2 LEU 73 -11.629 -14.202 4.057 577 HD23 LEU 73 2HD2 LEU 73 -10.972 -12.693 4.736 578 H ALA 74 H ALA 74 -8.411 -11.862 0.718 579 HA ALA 74 HA ALA 74 -7.508 -13.297 -1.588 580 HB1 ALA 74 3HB ALA 74 -10.346 -13.996 -0.721 581 HB2 ALA 74 1HB ALA 74 -9.609 -14.392 -2.292 582 HB3 ALA 74 2HB ALA 74 -8.975 -15.127 -0.800 583 H LYS 75 H LYS 75 -8.064 -12.233 -3.384 584 HA LYS 75 HA LYS 75 -8.724 -10.441 -4.793 585 HB2 LYS 75 1HB LYS 75 -11.036 -11.412 -4.168 586 HB3 LYS 75 2HB LYS 75 -11.191 -9.980 -3.173 587 HG2 LYS 75 1HG LYS 75 -10.571 -8.601 -5.284 588 HG3 LYS 75 2HG LYS 75 -10.761 -10.067 -6.193 589 HD2 LYS 75 1HD LYS 75 -12.844 -9.059 -6.371 590 HD3 LYS 75 2HD LYS 75 -13.129 -10.202 -5.076 591 HE2 LYS 75 1HE LYS 75 -12.822 -8.423 -3.396 592 HE3 LYS 75 2HE LYS 75 -12.445 -7.264 -4.668 593 HZ1 LYS 75 3HZ LYS 75 -14.971 -8.738 -4.376 594 HZ2 LYS 75 1HZ LYS 75 -14.698 -7.125 -3.989 595 HZ3 LYS 75 2HZ LYS 75 -14.611 -7.631 -5.590 596 H GLU 76 H GLU 76 -8.025 -8.568 -5.060 597 HA GLU 76 HA GLU 76 -8.344 -6.399 -3.098 598 HB2 GLU 76 1HB GLU 76 -6.265 -7.734 -2.260 599 HB3 GLU 76 2HB GLU 76 -5.460 -7.286 -3.726 600 HG2 GLU 76 1HG GLU 76 -5.587 -4.895 -3.119 601 HG3 GLU 76 2HG GLU 76 -6.540 -5.254 -1.724 602 H MET 77 H MET 77 -8.712 -4.690 -4.226 603 HA MET 77 HA MET 77 -7.089 -3.626 -6.365 604 HB2 MET 77 1HB MET 77 -8.530 -5.494 -7.552 605 HB3 MET 77 2HB MET 77 -9.828 -4.299 -7.422 606 HG2 MET 77 1HG MET 77 -8.224 -2.618 -8.446 607 HG3 MET 77 2HG MET 77 -7.152 -4.009 -8.801 608 HE1 MET 77 3HE MET 77 -7.525 -2.488 -11.188 609 HE2 MET 77 1HE MET 77 -9.069 -2.510 -12.073 610 HE3 MET 77 2HE MET 77 -8.942 -1.636 -10.528 611 H GLY 78 H GLY 78 -7.987 -1.586 -7.188 612 HA2 GLY 78 1HA GLY 78 -10.414 -0.309 -6.273 613 HA3 GLY 78 2HA GLY 78 -9.143 0.130 -5.153 614 H LEU 79 H LEU 79 -10.488 1.945 -6.594 615 HA LEU 79 HA LEU 79 -8.381 2.937 -8.510 616 HB2 LEU 79 1HB LEU 79 -11.335 3.022 -8.825 617 HB3 LEU 79 2HB LEU 79 -10.331 4.275 -9.545 618 HG LEU 79 HG LEU 79 -9.654 1.347 -9.911 619 HD11 LEU 79 1HD1 LEU 79 -10.926 1.438 -12.021 620 HD12 LEU 79 2HD1 LEU 79 -12.001 1.679 -10.622 621 HD13 LEU 79 3HD1 LEU 79 -11.502 3.072 -11.611 622 HD21 LEU 79 3HD2 LEU 79 -7.936 3.012 -10.497 623 HD22 LEU 79 1HD2 LEU 79 -8.577 2.202 -11.947 624 HD23 LEU 79 2HD2 LEU 79 -9.105 3.853 -11.543 625 H GLY 80 H GLY 80 -11.034 4.224 -6.423 626 HA2 GLY 80 1HA GLY 80 -11.094 6.088 -5.040 627 HA3 GLY 80 2HA GLY 80 -9.303 6.055 -5.011 628 H GLN 81 H GLN 81 -11.472 6.501 -7.766 629 HA GLN 81 HA GLN 81 -10.052 8.934 -8.692 630 HB2 GLN 81 1HB GLN 81 -12.040 7.021 -9.776 631 HB3 GLN 81 2HB GLN 81 -12.155 8.672 -10.366 632 HG2 GLN 81 1HG GLN 81 -9.440 7.333 -10.273 633 HG3 GLN 81 2HG GLN 81 -10.556 6.968 -11.578 634 HE21 GLN 81 1HE2 GLN 81 -7.925 8.665 -11.077 635 HE22 GLN 81 2HE2 GLN 81 -8.262 10.082 -12.107 636 H ARG 82 H ARG 82 -10.275 10.536 -7.392 637 HA ARG 82 HA ARG 82 -12.559 11.539 -6.048 638 HB2 ARG 82 1HB ARG 82 -11.386 13.725 -6.104 639 HB3 ARG 82 2HB ARG 82 -10.553 12.322 -5.357 640 HG2 ARG 82 1HG ARG 82 -9.107 12.120 -7.360 641 HG3 ARG 82 2HG ARG 82 -9.941 13.456 -8.131 642 HD2 ARG 82 1HD ARG 82 -8.654 13.849 -5.421 643 HD3 ARG 82 2HD ARG 82 -7.696 13.915 -6.900 644 HE ARG 82 HE ARG 82 -9.001 15.792 -7.664 645 HH11 ARG 82 1HH1 ARG 82 -10.230 14.788 -4.481 646 HH12 ARG 82 2HH1 ARG 82 -10.642 16.463 -4.025 647 HH21 ARG 82 1HH2 ARG 82 -9.668 17.839 -7.091 648 HH22 ARG 82 2HH2 ARG 82 -10.339 18.141 -5.466 649 H ARG 83 H ARG 83 -14.314 11.269 -7.298 650 HA ARG 83 HA ARG 83 -15.119 13.681 -8.873 651 HB2 ARG 83 1HB ARG 83 -14.147 11.492 -10.243 652 HB3 ARG 83 2HB ARG 83 -15.949 11.407 -10.340 653 HG2 ARG 83 1HG ARG 83 -15.795 14.022 -10.826 654 HG3 ARG 83 2HG ARG 83 -14.119 13.745 -11.189 655 HD2 ARG 83 1HD ARG 83 -14.528 12.578 -13.037 656 HD3 ARG 83 2HD ARG 83 -16.182 12.071 -12.481 657 HE ARG 83 HE ARG 83 -17.057 14.185 -13.124 658 HH11 ARG 83 1HH1 ARG 83 -13.520 14.250 -13.677 659 HH12 ARG 83 2HH1 ARG 83 -13.596 15.893 -14.370 660 HH21 ARG 83 1HH2 ARG 83 -17.058 16.253 -13.926 661 HH22 ARG 83 2HH2 ARG 83 -15.543 16.994 -14.507 662 H LYS 84 H LYS 84 -16.529 14.179 -7.432 663 HA LYS 84 HA LYS 84 -19.192 13.018 -7.543 664 HB2 LYS 84 1HB LYS 84 -17.538 11.850 -5.457 665 HB3 LYS 84 2HB LYS 84 -18.741 12.834 -4.706 666 HG2 LYS 84 1HG LYS 84 -19.406 10.824 -6.831 667 HG3 LYS 84 2HG LYS 84 -19.309 10.467 -5.077 668 HD2 LYS 84 1HD LYS 84 -21.541 10.834 -5.255 669 HD3 LYS 84 2HD LYS 84 -20.997 12.517 -4.962 670 HE2 LYS 84 1HE LYS 84 -22.215 13.046 -6.817 671 HE3 LYS 84 2HE LYS 84 -20.930 12.298 -7.749 672 HZ1 LYS 84 3HZ LYS 84 -23.331 10.946 -6.737 673 HZ2 LYS 84 1HZ LYS 84 -23.039 11.443 -8.317 674 HZ3 LYS 84 2HZ LYS 84 -22.099 10.229 -7.630 675 H ALA 85 H ALA 85 -20.693 14.203 -6.256 676 HA ALA 85 HA ALA 85 -21.728 16.267 -5.710 677 HB1 ALA 85 3HB ALA 85 -19.104 16.958 -4.475 678 HB2 ALA 85 1HB ALA 85 -20.652 17.814 -4.286 679 HB3 ALA 85 2HB ALA 85 -20.483 16.143 -3.699 680 H ASN 86 H ASN 86 -22.029 18.386 -6.275 681 HA ASN 86 HA ASN 86 -20.127 19.641 -8.213 682 HB2 ASN 86 1HB ASN 86 -21.821 18.093 -9.498 683 HB3 ASN 86 2HB ASN 86 -23.024 19.287 -9.090 684 HD21 ASN 86 1HD2 ASN 86 -23.321 19.647 -11.305 685 HD22 ASN 86 2HD2 ASN 86 -22.204 20.737 -12.170 686 H ARG 87 H ARG 87 -20.208 21.783 -8.204 687 HA ARG 87 HA ARG 87 -20.526 23.901 -7.344 688 HB2 ARG 87 1HB ARG 87 -23.403 23.071 -7.651 689 HB3 ARG 87 2HB ARG 87 -22.912 24.703 -7.207 690 HG2 ARG 87 1HG ARG 87 -21.559 24.876 -9.284 691 HG3 ARG 87 2HG ARG 87 -21.992 23.231 -9.720 692 HD2 ARG 87 1HD ARG 87 -24.302 23.802 -9.901 693 HD3 ARG 87 2HD ARG 87 -23.979 25.451 -9.261 694 HE ARG 87 HE ARG 87 -22.227 24.952 -11.472 695 HH11 ARG 87 1HH1 ARG 87 -25.761 25.416 -11.087 696 HH12 ARG 87 2HH1 ARG 87 -25.896 26.182 -12.694 697 HH21 ARG 87 1HH2 ARG 87 -22.483 25.912 -13.453 698 HH22 ARG 87 2HH2 ARG 87 -24.095 26.452 -13.993 Start of MODEL 17 1 H1 ALA 1 1H ALA 1 14.339 18.564 2.380 2 HA ALA 1 HA ALA 1 14.736 19.395 5.061 3 HB1 ALA 1 3HB ALA 1 12.079 18.026 4.615 4 HB2 ALA 1 1HB ALA 1 12.844 18.315 6.196 5 HB3 ALA 1 2HB ALA 1 12.354 19.692 5.179 6 H VAL 2 H VAL 2 13.312 16.445 3.573 7 HA VAL 2 HA VAL 2 15.788 14.859 4.399 8 HB VAL 2 HB VAL 2 14.327 12.872 4.531 9 HG11 VAL 2 1HG1 VAL 2 14.119 13.320 6.950 10 HG12 VAL 2 2HG1 VAL 2 15.689 13.887 6.332 11 HG13 VAL 2 3HG1 VAL 2 14.385 15.054 6.658 12 HG21 VAL 2 3HG2 VAL 2 12.203 13.774 3.856 13 HG22 VAL 2 1HG2 VAL 2 12.170 13.199 5.539 14 HG23 VAL 2 2HG2 VAL 2 12.252 14.943 5.196 15 H ASN 3 H ASN 3 12.952 14.130 2.435 16 HA ASN 3 HA ASN 3 14.479 12.928 0.264 17 HB2 ASN 3 1HB ASN 3 12.250 12.599 -0.722 18 HB3 ASN 3 2HB ASN 3 12.416 11.996 0.957 19 HD21 ASN 3 1HD2 ASN 3 10.370 13.546 -1.145 20 HD22 ASN 3 2HD2 ASN 3 9.453 14.570 -0.007 21 H VAL 4 H VAL 4 15.606 15.296 0.297 22 HA VAL 4 HA VAL 4 14.487 17.480 -1.267 23 HB VAL 4 HB VAL 4 16.209 17.786 0.276 24 HG11 VAL 4 1HG1 VAL 4 18.553 17.337 -0.290 25 HG12 VAL 4 2HG1 VAL 4 17.645 15.821 -0.074 26 HG13 VAL 4 3HG1 VAL 4 18.041 16.394 -1.711 27 HG21 VAL 4 3HG2 VAL 4 15.724 19.437 -1.314 28 HG22 VAL 4 1HG2 VAL 4 17.478 19.362 -1.025 29 HG23 VAL 4 2HG2 VAL 4 16.792 18.672 -2.514 30 H GLU 5 H GLU 5 16.696 14.874 -2.291 31 HA GLU 5 HA GLU 5 15.278 14.319 -4.726 32 HB2 GLU 5 1HB GLU 5 16.706 16.598 -5.151 33 HB3 GLU 5 2HB GLU 5 17.972 15.419 -5.484 34 HG2 GLU 5 1HG GLU 5 16.421 14.279 -7.116 35 HG3 GLU 5 2HG GLU 5 15.240 15.552 -6.834 36 H LYS 6 H LYS 6 15.473 12.320 -3.828 37 HA LYS 6 HA LYS 6 17.695 10.623 -4.441 38 HB2 LYS 6 1HB LYS 6 18.546 9.996 -2.267 39 HB3 LYS 6 2HB LYS 6 18.994 11.655 -2.785 40 HG2 LYS 6 1HG LYS 6 17.294 12.569 -1.219 41 HG3 LYS 6 2HG LYS 6 16.898 10.933 -0.692 42 HD2 LYS 6 1HD LYS 6 19.271 10.628 0.058 43 HD3 LYS 6 2HD LYS 6 19.613 12.293 -0.411 44 HE2 LYS 6 1HE LYS 6 17.842 13.075 1.186 45 HE3 LYS 6 2HE LYS 6 17.590 11.404 1.690 46 HZ1 LYS 6 3HZ LYS 6 20.117 12.898 1.878 47 HZ2 LYS 6 1HZ LYS 6 19.061 12.551 3.140 48 HZ3 LYS 6 2HZ LYS 6 19.877 11.305 2.359 49 H GLN 7 H GLN 7 14.918 11.156 -2.262 50 HA GLN 7 HA GLN 7 13.340 9.788 -1.267 51 HB2 GLN 7 1HB GLN 7 13.788 8.270 -3.743 52 HB3 GLN 7 2HB GLN 7 12.892 7.562 -2.415 53 HG2 GLN 7 1HG GLN 7 11.303 8.738 -3.841 54 HG3 GLN 7 2HG GLN 7 11.428 9.674 -2.388 55 HE21 GLN 7 1HE2 GLN 7 12.083 9.521 -5.776 56 HE22 GLN 7 2HE2 GLN 7 12.439 11.219 -5.928 57 H LYS 8 H LYS 8 12.963 8.116 0.102 58 HA LYS 8 HA LYS 8 15.395 6.712 1.110 59 HB2 LYS 8 1HB LYS 8 14.186 6.550 3.202 60 HB3 LYS 8 2HB LYS 8 14.775 8.167 2.696 61 HG2 LYS 8 1HG LYS 8 11.975 7.444 2.030 62 HG3 LYS 8 2HG LYS 8 12.375 7.763 3.754 63 HD2 LYS 8 1HD LYS 8 13.284 9.857 1.842 64 HD3 LYS 8 2HD LYS 8 11.547 9.693 1.985 65 HE2 LYS 8 1HE LYS 8 12.038 11.229 3.705 66 HE3 LYS 8 2HE LYS 8 12.027 9.751 4.610 67 HZ1 LYS 8 3HZ LYS 8 14.393 11.085 3.550 68 HZ2 LYS 8 1HZ LYS 8 13.838 11.075 5.137 69 HZ3 LYS 8 2HZ LYS 8 14.381 9.651 4.429 70 HA PRO 9 HA PRO 9 13.019 3.195 -0.620 71 HB2 PRO 9 1HB PRO 9 15.185 1.634 -1.157 72 HB3 PRO 9 2HB PRO 9 14.644 2.892 -2.267 73 HG2 PRO 9 1HG PRO 9 16.885 3.026 -0.197 74 HG3 PRO 9 2HG PRO 9 16.909 3.584 -1.869 75 HD2 PRO 9 1HD PRO 9 16.357 5.325 0.265 76 HD3 PRO 9 2HD PRO 9 15.550 5.546 -1.355 77 H ALA 10 H ALA 10 12.029 2.128 0.841 78 HA ALA 10 HA ALA 10 13.276 1.381 3.426 79 HB1 ALA 10 3HB ALA 10 10.523 0.915 2.261 80 HB2 ALA 10 1HB ALA 10 11.013 0.601 3.943 81 HB3 ALA 10 2HB ALA 10 11.019 2.264 3.310 82 H VAL 11 H VAL 11 14.897 0.242 2.183 83 HA VAL 11 HA VAL 11 15.975 -1.620 1.152 84 HB VAL 11 HB VAL 11 15.805 -3.690 2.234 85 HG11 VAL 11 1HG1 VAL 11 16.717 -2.832 4.344 86 HG12 VAL 11 2HG1 VAL 11 17.317 -1.876 2.969 87 HG13 VAL 11 3HG1 VAL 11 16.025 -1.228 4.007 88 HG21 VAL 11 3HG2 VAL 11 13.550 -3.900 2.831 89 HG22 VAL 11 1HG2 VAL 11 14.623 -4.019 4.246 90 HG23 VAL 11 2HG2 VAL 11 13.685 -2.533 3.962 91 H SER 12 H SER 12 15.345 -4.146 0.569 92 HA SER 12 HA SER 12 13.530 -4.034 -1.722 93 HB2 SER 12 1HB SER 12 15.730 -5.305 -1.725 94 HB3 SER 12 2HB SER 12 15.048 -6.400 -0.522 95 HG SER 12 HG SER 12 14.790 -7.252 -2.622 96 H VAL 13 H VAL 13 11.971 -5.861 -1.946 97 HA VAL 13 HA VAL 13 9.934 -6.022 0.086 98 HB VAL 13 HB VAL 13 9.588 -6.080 -2.399 99 HG11 VAL 13 1HG1 VAL 13 9.830 -8.150 -3.568 100 HG12 VAL 13 2HG1 VAL 13 11.426 -7.570 -3.036 101 HG13 VAL 13 3HG1 VAL 13 10.627 -8.900 -2.165 102 HG21 VAL 13 3HG2 VAL 13 7.854 -6.453 -0.959 103 HG22 VAL 13 1HG2 VAL 13 7.798 -7.519 -2.384 104 HG23 VAL 13 2HG2 VAL 13 8.296 -8.170 -0.804 105 H ARG 14 H ARG 14 9.360 -8.833 -0.071 106 HA ARG 14 HA ARG 14 9.578 -10.711 1.358 107 HB2 ARG 14 1HB ARG 14 12.426 -10.206 0.977 108 HB3 ARG 14 2HB ARG 14 11.793 -11.401 2.157 109 HG2 ARG 14 1HG ARG 14 12.185 -12.648 0.242 110 HG3 ARG 14 2HG ARG 14 10.424 -12.307 0.184 111 HD2 ARG 14 1HD ARG 14 10.905 -10.474 -1.430 112 HD3 ARG 14 2HD ARG 14 12.611 -11.003 -1.452 113 HE ARG 14 HE ARG 14 10.413 -12.955 -2.046 114 HH11 ARG 14 1HH1 ARG 14 13.495 -11.538 -3.158 115 HH12 ARG 14 2HH1 ARG 14 13.447 -12.432 -4.641 116 HH21 ARG 14 1HH2 ARG 14 10.527 -14.168 -3.891 117 HH22 ARG 14 2HH2 ARG 14 11.853 -13.915 -5.058 118 H LYS 15 H LYS 15 11.978 -8.369 2.754 119 HA LYS 15 HA LYS 15 10.869 -8.859 5.432 120 HB2 LYS 15 1HB LYS 15 13.364 -8.880 4.884 121 HB3 LYS 15 2HB LYS 15 13.260 -7.134 4.733 122 HG2 LYS 15 1HG LYS 15 12.048 -7.384 7.145 123 HG3 LYS 15 2HG LYS 15 13.030 -8.836 7.191 124 HD2 LYS 15 1HD LYS 15 14.447 -6.329 6.312 125 HD3 LYS 15 2HD LYS 15 13.984 -6.421 7.980 126 HE2 LYS 15 1HE LYS 15 15.539 -8.623 6.613 127 HE3 LYS 15 2HE LYS 15 16.276 -7.247 7.435 128 HZ1 LYS 15 3HZ LYS 15 14.426 -9.188 8.646 129 HZ2 LYS 15 1HZ LYS 15 16.093 -9.129 8.855 130 HZ3 LYS 15 2HZ LYS 15 15.129 -7.877 9.430 131 H SER 16 H SER 16 9.679 -6.868 3.082 132 HA SER 16 HA SER 16 9.151 -4.432 4.255 133 HB2 SER 16 1HB SER 16 6.983 -6.100 2.942 134 HB3 SER 16 2HB SER 16 7.246 -4.371 2.844 135 HG SER 16 HG SER 16 8.499 -4.635 1.177 136 H VAL 17 H VAL 17 8.006 -7.578 5.189 137 HA VAL 17 HA VAL 17 6.086 -6.807 7.233 138 HB VAL 17 HB VAL 17 7.328 -9.360 6.159 139 HG11 VAL 17 1HG1 VAL 17 5.871 -10.701 7.601 140 HG12 VAL 17 2HG1 VAL 17 7.047 -9.775 8.562 141 HG13 VAL 17 3HG1 VAL 17 5.356 -9.233 8.464 142 HG21 VAL 17 3HG2 VAL 17 5.530 -8.362 4.830 143 HG22 VAL 17 1HG2 VAL 17 4.986 -9.888 5.566 144 HG23 VAL 17 2HG2 VAL 17 4.468 -8.332 6.258 145 H GLN 18 H GLN 18 6.846 -5.951 9.111 146 HA GLN 18 HA GLN 18 9.196 -7.229 10.461 147 HB2 GLN 18 1HB GLN 18 8.428 -4.270 10.463 148 HB3 GLN 18 2HB GLN 18 9.697 -4.974 11.406 149 HG2 GLN 18 1HG GLN 18 10.967 -5.538 9.415 150 HG3 GLN 18 2HG GLN 18 9.641 -5.066 8.374 151 HE21 GLN 18 1HE2 GLN 18 9.077 -2.843 8.192 152 HE22 GLN 18 2HE2 GLN 18 10.293 -1.651 8.578 153 H ASP 19 H ASP 19 8.961 -6.143 12.959 154 HA ASP 19 HA ASP 19 6.896 -7.679 14.174 155 HB2 ASP 19 1HB ASP 19 9.004 -5.806 15.246 156 HB3 ASP 19 2HB ASP 19 7.740 -6.340 16.293 157 H ASP 20 H ASP 20 4.960 -6.917 13.178 158 HA ASP 20 HA ASP 20 2.983 -5.858 13.076 159 HB2 ASP 20 1HB ASP 20 3.651 -5.050 15.863 160 HB3 ASP 20 2HB ASP 20 2.142 -4.623 15.068 161 H HIS 21 H HIS 21 5.371 -4.522 11.941 162 HA HIS 21 HA HIS 21 4.183 -1.892 11.391 163 HB2 HIS 21 1HB HIS 21 6.207 -0.690 11.635 164 HB3 HIS 21 2HB HIS 21 5.527 -1.290 13.187 165 HD2 HIS 21 HD2 HIS 21 8.629 -1.452 11.007 166 HE1 HIS 21 HE1 HIS 21 9.579 -3.349 14.656 167 HE2 HIS 21 HE2 HIS 21 10.533 -2.360 12.476 168 H ILE 22 H ILE 22 3.955 -1.834 9.360 169 HA ILE 22 HA ILE 22 5.601 -3.380 7.481 170 HB ILE 22 HB ILE 22 3.180 -3.556 7.392 171 HG12 ILE 22 1HG1 ILE 22 4.155 -2.256 4.863 172 HG13 ILE 22 2HG1 ILE 22 4.695 -3.837 5.394 173 HG21 ILE 22 1HG2 ILE 22 1.787 -1.724 6.521 174 HG22 ILE 22 2HG2 ILE 22 2.485 -1.300 8.102 175 HG23 ILE 22 3HG2 ILE 22 3.175 -0.613 6.612 176 HD11 ILE 22 3HD1 ILE 22 1.813 -3.022 4.918 177 HD12 ILE 22 1HD1 ILE 22 2.829 -4.020 3.851 178 HD13 ILE 22 2HD1 ILE 22 2.361 -4.627 5.457 179 H VAL 23 H VAL 23 7.037 -2.382 6.062 180 HA VAL 23 HA VAL 23 7.973 0.325 6.837 181 HB VAL 23 HB VAL 23 9.354 -1.704 6.818 182 HG11 VAL 23 1HG1 VAL 23 10.536 -2.242 4.745 183 HG12 VAL 23 2HG1 VAL 23 8.816 -2.684 4.635 184 HG13 VAL 23 3HG1 VAL 23 9.411 -1.216 3.824 185 HG21 VAL 23 3HG2 VAL 23 10.150 0.394 7.287 186 HG22 VAL 23 1HG2 VAL 23 11.287 -0.455 6.213 187 HG23 VAL 23 2HG2 VAL 23 10.235 0.825 5.563 188 H CYS 24 H CYS 24 7.507 2.144 5.825 189 HA CYS 24 HA CYS 24 5.939 2.091 3.475 190 HB2 CYS 24 1HB CYS 24 5.669 3.726 5.326 191 HB3 CYS 24 2HB CYS 24 7.183 4.497 4.816 192 H LEU 25 H LEU 25 7.307 1.134 1.782 193 HA LEU 25 HA LEU 25 9.625 2.156 0.755 194 HB2 LEU 25 1HB LEU 25 7.156 1.160 -0.573 195 HB3 LEU 25 2HB LEU 25 8.517 1.831 -1.542 196 HG LEU 25 HG LEU 25 8.724 -0.615 -1.499 197 HD11 LEU 25 1HD1 LEU 25 10.888 -0.906 -0.657 198 HD12 LEU 25 2HD1 LEU 25 10.727 0.605 -1.583 199 HD13 LEU 25 3HD1 LEU 25 10.802 0.654 0.194 200 HD21 LEU 25 3HD2 LEU 25 7.398 -1.090 0.507 201 HD22 LEU 25 1HD2 LEU 25 8.995 -1.877 0.516 202 HD23 LEU 25 2HD2 LEU 25 8.710 -0.429 1.512 203 H GLU 26 H GLU 26 10.265 3.901 -0.513 204 HA GLU 26 HA GLU 26 10.411 6.010 -1.266 205 HB2 GLU 26 1HB GLU 26 8.130 5.374 -2.271 206 HB3 GLU 26 2HB GLU 26 7.483 6.498 -1.031 207 HG2 GLU 26 1HG GLU 26 7.826 8.145 -2.513 208 HG3 GLU 26 2HG GLU 26 9.563 7.915 -2.266 209 H CYS 27 H CYS 27 9.200 5.348 1.893 210 HA CYS 27 HA CYS 27 9.077 8.201 2.595 211 HB2 CYS 27 1HB CYS 27 6.806 6.827 2.486 212 HB3 CYS 27 2HB CYS 27 7.338 6.324 4.102 213 H GLY 28 H GLY 28 9.644 4.673 3.695 214 HA2 GLY 28 1HA GLY 28 11.650 4.059 4.764 215 HA3 GLY 28 2HA GLY 28 11.858 5.684 5.391 216 H GLY 29 H GLY 29 9.573 6.370 6.621 217 HA2 GLY 29 1HA GLY 29 9.518 5.147 9.140 218 HA3 GLY 29 2HA GLY 29 8.203 6.059 8.488 219 H SER 30 H SER 30 8.357 3.753 10.249 220 HA SER 30 HA SER 30 6.768 1.707 8.736 221 HB2 SER 30 1HB SER 30 8.668 1.523 11.074 222 HB3 SER 30 2HB SER 30 7.363 0.367 10.899 223 HG SER 30 HG SER 30 9.235 -0.388 9.916 224 H PHE 31 H PHE 31 4.916 0.978 9.452 225 HA PHE 31 HA PHE 31 3.588 1.860 11.959 226 HB2 PHE 31 1HB PHE 31 1.673 2.706 10.567 227 HB3 PHE 31 2HB PHE 31 3.090 3.778 10.832 228 HD1 PHE 31 HD1 PHE 31 2.709 1.049 8.229 229 HD2 PHE 31 HD2 PHE 31 2.979 5.237 9.108 230 HE1 PHE 31 HE1 PHE 31 3.450 1.480 5.907 231 HE2 PHE 31 HE2 PHE 31 3.656 5.676 6.770 232 HZ PHE 31 HZ PHE 31 3.815 3.810 5.154 233 H LYS 32 H LYS 32 1.504 0.969 12.264 234 HA LYS 32 HA LYS 32 1.281 -1.793 11.429 235 HB2 LYS 32 1HB LYS 32 0.444 -0.787 13.597 236 HB3 LYS 32 2HB LYS 32 -0.889 -0.100 12.716 237 HG2 LYS 32 1HG LYS 32 -0.691 -2.912 12.051 238 HG3 LYS 32 2HG LYS 32 -0.697 -2.694 13.794 239 HD2 LYS 32 1HD LYS 32 -2.720 -1.292 12.000 240 HD3 LYS 32 2HD LYS 32 -2.991 -2.893 12.666 241 HE2 LYS 32 1HE LYS 32 -2.915 -2.058 14.931 242 HE3 LYS 32 2HE LYS 32 -2.328 -0.484 14.399 243 HZ1 LYS 32 3HZ LYS 32 -4.936 -1.665 13.731 244 HZ2 LYS 32 1HZ LYS 32 -4.642 -0.453 14.859 245 HZ3 LYS 32 2HZ LYS 32 -4.376 -0.162 13.224 246 H SER 33 H SER 33 -0.134 1.203 9.957 247 HA SER 33 HA SER 33 -1.304 -0.503 7.775 248 HB2 SER 33 1HB SER 33 -3.138 1.058 7.613 249 HB3 SER 33 2HB SER 33 -3.141 0.206 9.157 250 HG SER 33 HG SER 33 -3.536 2.478 9.418 251 H LEU 34 H LEU 34 -0.807 -0.092 5.870 252 HA LEU 34 HA LEU 34 0.518 2.564 5.114 253 HB2 LEU 34 1HB LEU 34 2.043 0.855 4.975 254 HB3 LEU 34 2HB LEU 34 0.894 -0.166 4.031 255 HG LEU 34 HG LEU 34 1.144 1.203 2.122 256 HD11 LEU 34 1HD1 LEU 34 2.662 3.121 1.980 257 HD12 LEU 34 2HD1 LEU 34 1.334 3.438 3.122 258 HD13 LEU 34 3HD1 LEU 34 2.955 3.031 3.733 259 HD21 LEU 34 3HD2 LEU 34 2.895 -0.499 2.574 260 HD22 LEU 34 1HD2 LEU 34 3.600 0.904 1.737 261 HD23 LEU 34 2HD2 LEU 34 3.836 0.702 3.489 262 H LYS 35 H LYS 35 -2.014 0.203 4.034 263 HA LYS 35 HA LYS 35 -2.921 1.201 1.693 264 HB2 LYS 35 1HB LYS 35 -5.024 0.434 2.134 265 HB3 LYS 35 2HB LYS 35 -3.774 -0.695 2.769 266 HG2 LYS 35 1HG LYS 35 -5.291 -0.809 4.499 267 HG3 LYS 35 2HG LYS 35 -4.376 0.585 5.058 268 HD2 LYS 35 1HD LYS 35 -6.147 2.023 3.729 269 HD3 LYS 35 2HD LYS 35 -7.106 0.578 3.701 270 HE2 LYS 35 1HE LYS 35 -6.047 1.764 6.299 271 HE3 LYS 35 2HE LYS 35 -7.594 2.151 5.616 272 HZ1 LYS 35 3HZ LYS 35 -6.694 -0.507 6.408 273 HZ2 LYS 35 1HZ LYS 35 -7.746 0.513 7.233 274 HZ3 LYS 35 2HZ LYS 35 -8.194 -0.132 5.746 275 H ARG 36 H ARG 36 -4.033 2.692 4.802 276 HA ARG 36 HA ARG 36 -5.166 5.037 3.607 277 HB2 ARG 36 1HB ARG 36 -4.944 4.001 6.153 278 HB3 ARG 36 2HB ARG 36 -4.393 5.719 6.098 279 HG2 ARG 36 1HG ARG 36 -6.599 5.718 4.331 280 HG3 ARG 36 2HG ARG 36 -7.157 4.617 5.551 281 HD2 ARG 36 1HD ARG 36 -6.024 7.285 6.385 282 HD3 ARG 36 2HD ARG 36 -7.665 7.141 5.792 283 HE ARG 36 HE ARG 36 -7.156 5.152 7.808 284 HH11 ARG 36 1HH1 ARG 36 -7.847 8.644 7.381 285 HH12 ARG 36 2HH1 ARG 36 -8.516 8.787 9.029 286 HH21 ARG 36 1HH2 ARG 36 -8.101 5.411 9.843 287 HH22 ARG 36 2HH2 ARG 36 -8.657 7.022 10.371 288 H HIS 37 H HIS 37 -2.065 4.914 5.472 289 HA HIS 37 HA HIS 37 -1.127 7.343 5.035 290 HB2 HIS 37 1HB HIS 37 0.049 5.926 6.425 291 HB3 HIS 37 2HB HIS 37 0.406 4.779 5.096 292 HD1 HIS 37 HD1 HIS 37 1.509 8.036 6.648 293 HD2 HIS 37 HD2 HIS 37 2.529 5.526 3.407 294 HE1 HIS 37 HE1 HIS 37 3.787 8.836 5.766 295 H LEU 38 H LEU 38 -0.745 4.619 2.719 296 HA LEU 38 HA LEU 38 0.731 5.784 0.678 297 HB2 LEU 38 1HB LEU 38 0.059 3.417 1.085 298 HB3 LEU 38 2HB LEU 38 -1.511 3.839 0.314 299 HG LEU 38 HG LEU 38 0.275 2.676 -1.150 300 HD11 LEU 38 1HD1 LEU 38 -0.358 3.895 -3.099 301 HD12 LEU 38 2HD1 LEU 38 -1.744 3.580 -2.030 302 HD13 LEU 38 3HD1 LEU 38 -1.018 5.204 -2.091 303 HD21 LEU 38 3HD2 LEU 38 2.204 4.037 -0.430 304 HD22 LEU 38 1HD2 LEU 38 1.910 4.162 -2.180 305 HD23 LEU 38 2HD2 LEU 38 1.420 5.488 -1.099 306 H THR 39 H THR 39 -2.870 5.331 0.478 307 HA THR 39 HA THR 39 -3.341 7.178 -1.536 308 HB THR 39 HB THR 39 -5.321 6.130 0.512 309 HG1 THR 39 HG1 THR 39 -5.471 4.722 -1.651 310 HG21 THR 39 3HG2 THR 39 -5.687 7.071 -2.328 311 HG22 THR 39 1HG2 THR 39 -6.914 6.361 -1.254 312 HG23 THR 39 2HG2 THR 39 -6.207 7.949 -0.869 313 H THR 40 H THR 40 -3.108 7.769 1.951 314 HA THR 40 HA THR 40 -4.039 10.557 2.028 315 HB THR 40 HB THR 40 -2.068 9.216 3.891 316 HG1 THR 40 HG1 THR 40 -4.869 9.522 4.355 317 HG21 THR 40 3HG2 THR 40 -3.930 11.566 4.238 318 HG22 THR 40 1HG2 THR 40 -2.877 10.830 5.469 319 HG23 THR 40 2HG2 THR 40 -2.162 11.661 4.067 320 H HIS 41 H HIS 41 -0.638 9.357 2.087 321 HA HIS 41 HA HIS 41 0.247 12.144 1.567 322 HB2 HIS 41 1HB HIS 41 1.769 9.749 2.552 323 HB3 HIS 41 2HB HIS 41 2.546 11.235 2.094 324 HD2 HIS 41 HD2 HIS 41 2.932 10.560 4.924 325 HE1 HIS 41 HE1 HIS 41 -0.045 13.378 5.923 326 HE2 HIS 41 HE2 HIS 41 2.017 12.090 6.779 327 H HIS 42 H HIS 42 1.780 9.165 0.387 328 HA HIS 42 HA HIS 42 2.605 10.071 -2.160 329 HB2 HIS 42 1HB HIS 42 1.835 7.243 -1.701 330 HB3 HIS 42 2HB HIS 42 3.202 7.954 -2.616 331 HD1 HIS 42 HD1 HIS 42 5.383 8.404 -1.385 332 HD2 HIS 42 HD2 HIS 42 2.234 7.119 1.119 333 HE1 HIS 42 HE1 HIS 42 6.413 7.891 0.912 334 H SER 43 H SER 43 -0.594 9.062 -1.016 335 HA SER 43 HA SER 43 -2.699 9.008 -1.900 336 HB2 SER 43 1HB SER 43 -3.508 10.374 -3.505 337 HB3 SER 43 2HB SER 43 -2.468 11.264 -2.437 338 HG SER 43 HG SER 43 -0.807 11.162 -4.006 339 H MET 44 H MET 44 -3.492 8.732 -4.654 340 HA MET 44 HA MET 44 -4.015 7.086 -6.115 341 HB2 MET 44 1HB MET 44 -1.170 6.171 -5.712 342 HB3 MET 44 2HB MET 44 -2.274 5.704 -7.043 343 HG2 MET 44 1HG MET 44 -2.247 8.017 -7.906 344 HG3 MET 44 2HG MET 44 -1.310 8.570 -6.546 345 HE1 MET 44 3HE MET 44 0.863 6.277 -6.135 346 HE2 MET 44 1HE MET 44 2.175 6.893 -7.170 347 HE3 MET 44 2HE MET 44 1.242 8.016 -6.152 348 H THR 45 H THR 45 -4.091 4.646 -6.551 349 HA THR 45 HA THR 45 -5.064 3.212 -4.185 350 HB THR 45 HB THR 45 -5.597 1.416 -5.789 351 HG1 THR 45 HG1 THR 45 -4.726 3.103 -7.902 352 HG21 THR 45 3HG2 THR 45 -6.538 4.155 -6.669 353 HG22 THR 45 1HG2 THR 45 -7.317 2.593 -7.018 354 HG23 THR 45 2HG2 THR 45 -7.238 3.194 -5.345 355 HA PRO 46 HA PRO 46 -1.363 1.087 -3.098 356 HB2 PRO 46 1HB PRO 46 -2.303 -1.315 -2.371 357 HB3 PRO 46 2HB PRO 46 -2.340 0.211 -1.359 358 HG2 PRO 46 1HG PRO 46 -4.610 -1.041 -3.044 359 HG3 PRO 46 2HG PRO 46 -4.739 -0.408 -1.405 360 HD2 PRO 46 1HD PRO 46 -5.340 1.203 -3.616 361 HD3 PRO 46 2HD PRO 46 -4.461 1.931 -2.184 362 H GLU 47 H GLU 47 -3.667 -0.781 -5.108 363 HA GLU 47 HA GLU 47 -1.772 -2.580 -6.285 364 HB2 GLU 47 1HB GLU 47 -4.556 -2.086 -6.499 365 HB3 GLU 47 2HB GLU 47 -3.931 -1.952 -8.121 366 HG2 GLU 47 1HG GLU 47 -3.255 -4.340 -6.341 367 HG3 GLU 47 2HG GLU 47 -4.624 -4.306 -7.398 368 H GLU 48 H GLU 48 -2.836 0.685 -7.436 369 HA GLU 48 HA GLU 48 -1.125 0.686 -9.815 370 HB2 GLU 48 1HB GLU 48 -3.097 2.254 -9.382 371 HB3 GLU 48 2HB GLU 48 -2.074 3.135 -8.286 372 HG2 GLU 48 1HG GLU 48 -0.468 3.571 -10.095 373 HG3 GLU 48 2HG GLU 48 -1.484 2.649 -11.214 374 H TYR 49 H TYR 49 -0.697 1.898 -6.483 375 HA TYR 49 HA TYR 49 1.923 2.966 -6.717 376 HB2 TYR 49 1HB TYR 49 0.560 3.404 -4.757 377 HB3 TYR 49 2HB TYR 49 0.518 1.713 -4.325 378 HD1 TYR 49 HD1 TYR 49 2.999 4.452 -4.992 379 HD2 TYR 49 HD2 TYR 49 1.999 0.895 -2.803 380 HE1 TYR 49 HE1 TYR 49 5.054 4.714 -3.628 381 HE2 TYR 49 HE2 TYR 49 4.053 1.155 -1.431 382 HH TYR 49 HH TYR 49 6.164 4.072 -1.872 383 H ARG 50 H ARG 50 1.033 -0.498 -5.926 384 HA ARG 50 HA ARG 50 3.574 -1.545 -5.566 385 HB2 ARG 50 1HB ARG 50 2.837 -3.519 -5.734 386 HB3 ARG 50 2HB ARG 50 1.329 -2.593 -5.372 387 HG2 ARG 50 1HG ARG 50 0.595 -4.185 -6.924 388 HG3 ARG 50 2HG ARG 50 0.920 -2.823 -7.964 389 HD2 ARG 50 1HD ARG 50 2.903 -3.762 -8.797 390 HD3 ARG 50 2HD ARG 50 3.040 -4.908 -7.455 391 HE ARG 50 HE ARG 50 0.553 -5.379 -8.759 392 HH11 ARG 50 1HH1 ARG 50 3.949 -5.521 -9.794 393 HH12 ARG 50 2HH1 ARG 50 3.694 -6.933 -10.764 394 HH21 ARG 50 1HH2 ARG 50 0.318 -7.208 -10.056 395 HH22 ARG 50 2HH2 ARG 50 1.676 -7.852 -10.911 396 H GLU 51 H GLU 51 2.110 -0.627 -8.731 397 HA GLU 51 HA GLU 51 4.146 -1.720 -10.463 398 HB2 GLU 51 1HB GLU 51 2.208 0.520 -10.945 399 HB3 GLU 51 2HB GLU 51 3.273 -0.193 -12.129 400 HG2 GLU 51 1HG GLU 51 2.184 -2.449 -11.563 401 HG3 GLU 51 2HG GLU 51 0.976 -1.519 -10.679 402 H LYS 52 H LYS 52 3.936 1.437 -8.733 403 HA LYS 52 HA LYS 52 6.071 2.839 -9.950 404 HB2 LYS 52 1HB LYS 52 4.571 3.960 -8.615 405 HB3 LYS 52 2HB LYS 52 4.860 2.861 -7.222 406 HG2 LYS 52 1HG LYS 52 5.912 5.113 -6.861 407 HG3 LYS 52 2HG LYS 52 7.122 3.875 -6.917 408 HD2 LYS 52 1HD LYS 52 7.432 4.466 -9.386 409 HD3 LYS 52 2HD LYS 52 6.449 5.891 -9.039 410 HE2 LYS 52 1HE LYS 52 8.013 6.648 -7.345 411 HE3 LYS 52 2HE LYS 52 8.920 5.132 -7.427 412 HZ1 LYS 52 3HZ LYS 52 8.610 7.078 -9.618 413 HZ2 LYS 52 1HZ LYS 52 9.976 6.863 -8.661 414 HZ3 LYS 52 2HZ LYS 52 9.473 5.636 -9.696 415 H TRP 53 H TRP 53 6.226 0.727 -7.015 416 HA TRP 53 HA TRP 53 9.129 0.609 -7.229 417 HB2 TRP 53 1HB TRP 53 7.071 -0.357 -5.191 418 HB3 TRP 53 2HB TRP 53 8.756 -0.800 -5.063 419 HD1 TRP 53 HD1 TRP 53 6.469 2.265 -4.857 420 HE1 TRP 53 HE1 TRP 53 7.754 4.188 -3.759 421 HE3 TRP 53 HE3 TRP 53 10.952 -0.002 -4.598 422 HZ2 TRP 53 HZ2 TRP 53 10.434 4.642 -2.946 423 HZ3 TRP 53 HZ3 TRP 53 12.887 1.174 -3.578 424 HH2 TRP 53 HH2 TRP 53 12.626 3.505 -2.770 425 H ASP 54 H ASP 54 6.938 -0.964 -8.952 426 HA ASP 54 HA ASP 54 6.607 -3.034 -9.904 427 HB2 ASP 54 1HB ASP 54 9.591 -3.528 -9.569 428 HB3 ASP 54 2HB ASP 54 8.548 -4.153 -10.800 429 H LEU 55 H LEU 55 6.066 -3.009 -7.078 430 HA LEU 55 HA LEU 55 7.353 -4.956 -5.497 431 HB2 LEU 55 1HB LEU 55 4.767 -3.411 -5.246 432 HB3 LEU 55 2HB LEU 55 5.118 -4.687 -4.125 433 HG LEU 55 HG LEU 55 7.176 -2.559 -4.651 434 HD11 LEU 55 1HD1 LEU 55 6.161 -1.309 -2.789 435 HD12 LEU 55 2HD1 LEU 55 5.028 -1.431 -4.156 436 HD13 LEU 55 3HD1 LEU 55 4.816 -2.472 -2.728 437 HD21 LEU 55 3HD2 LEU 55 7.827 -4.565 -3.360 438 HD22 LEU 55 1HD2 LEU 55 7.783 -3.111 -2.336 439 HD23 LEU 55 2HD2 LEU 55 6.456 -4.295 -2.258 440 HA PRO 56 HA PRO 56 5.671 -8.624 -7.560 441 HB2 PRO 56 1HB PRO 56 6.897 -10.471 -6.009 442 HB3 PRO 56 2HB PRO 56 7.753 -9.603 -7.281 443 HG2 PRO 56 1HG PRO 56 7.691 -8.994 -4.287 444 HG3 PRO 56 2HG PRO 56 9.092 -9.060 -5.355 445 HD2 PRO 56 1HD PRO 56 7.826 -6.627 -4.756 446 HD3 PRO 56 2HD PRO 56 8.497 -6.922 -6.434 447 H VAL 57 H VAL 57 4.173 -10.114 -7.198 448 HA VAL 57 HA VAL 57 2.112 -10.735 -6.584 449 HB VAL 57 HB VAL 57 3.625 -12.099 -5.282 450 HG11 VAL 57 1HG1 VAL 57 3.474 -12.038 -2.840 451 HG12 VAL 57 2HG1 VAL 57 4.306 -10.595 -3.467 452 HG13 VAL 57 3HG1 VAL 57 2.616 -10.481 -2.920 453 HG21 VAL 57 3HG2 VAL 57 1.456 -12.753 -5.816 454 HG22 VAL 57 1HG2 VAL 57 1.835 -13.219 -4.141 455 HG23 VAL 57 2HG2 VAL 57 0.777 -11.824 -4.458 456 H ASP 58 H ASP 58 2.582 -7.738 -6.444 457 HA ASP 58 HA ASP 58 1.721 -5.823 -5.684 458 HB2 ASP 58 1HB ASP 58 -0.647 -5.649 -5.506 459 HB3 ASP 58 2HB ASP 58 -0.021 -6.438 -6.993 460 H TYR 59 H TYR 59 3.085 -7.183 -3.709 461 HA TYR 59 HA TYR 59 2.576 -7.796 -1.267 462 HB2 TYR 59 1HB TYR 59 4.769 -6.981 -1.929 463 HB3 TYR 59 2HB TYR 59 4.229 -5.321 -1.866 464 HD1 TYR 59 HD1 TYR 59 4.788 -8.357 0.224 465 HD2 TYR 59 HD2 TYR 59 4.146 -4.114 0.130 466 HE1 TYR 59 HE1 TYR 59 4.879 -8.295 2.699 467 HE2 TYR 59 HE2 TYR 59 4.293 -4.041 2.599 468 HH TYR 59 HH TYR 59 4.883 -5.110 4.421 469 HA PRO 60 HA PRO 60 -1.032 -5.592 0.203 470 HB2 PRO 60 1HB PRO 60 -1.120 -6.613 2.722 471 HB3 PRO 60 2HB PRO 60 -1.616 -7.559 1.319 472 HG2 PRO 60 1HG PRO 60 1.078 -7.594 2.768 473 HG3 PRO 60 2HG PRO 60 0.096 -8.969 2.266 474 HD2 PRO 60 1HD PRO 60 2.192 -8.030 0.659 475 HD3 PRO 60 2HD PRO 60 0.643 -8.615 -0.122 476 H MET 61 H MET 61 -1.515 -3.817 1.253 477 HA MET 61 HA MET 61 0.793 -2.356 2.603 478 HB2 MET 61 1HB MET 61 -1.704 -1.243 1.384 479 HB3 MET 61 2HB MET 61 -0.285 -0.357 2.025 480 HG2 MET 61 1HG MET 61 -0.420 -2.129 -0.422 481 HG3 MET 61 2HG MET 61 -0.161 -0.353 -0.355 482 HE1 MET 61 3HE MET 61 1.801 -0.740 -2.093 483 HE2 MET 61 1HE MET 61 3.179 -1.830 -1.813 484 HE3 MET 61 2HE MET 61 1.545 -2.501 -2.034 485 H VAL 62 H VAL 62 -0.615 -4.346 4.184 486 HA VAL 62 HA VAL 62 -1.986 -2.607 6.092 487 HB VAL 62 HB VAL 62 -3.158 -5.349 5.714 488 HG11 VAL 62 1HG1 VAL 62 -5.117 -4.186 6.711 489 HG12 VAL 62 2HG1 VAL 62 -3.670 -3.994 7.730 490 HG13 VAL 62 3HG1 VAL 62 -4.212 -2.654 6.692 491 HG21 VAL 62 3HG2 VAL 62 -3.405 -4.473 3.490 492 HG22 VAL 62 1HG2 VAL 62 -4.963 -4.540 4.346 493 HG23 VAL 62 2HG2 VAL 62 -4.128 -2.982 4.136 494 H ALA 63 H ALA 63 -1.682 -3.484 8.311 495 HA ALA 63 HA ALA 63 0.474 -4.269 9.362 496 HB1 ALA 63 3HB ALA 63 -2.142 -5.653 10.006 497 HB2 ALA 63 1HB ALA 63 -0.722 -5.575 11.076 498 HB3 ALA 63 2HB ALA 63 -1.580 -4.082 10.625 499 HA PRO 64 HA PRO 64 2.465 -7.595 7.507 500 HB2 PRO 64 1HB PRO 64 3.949 -8.651 9.579 501 HB3 PRO 64 2HB PRO 64 4.358 -7.175 8.704 502 HG2 PRO 64 1HG PRO 64 2.836 -7.450 11.339 503 HG3 PRO 64 2HG PRO 64 4.173 -6.367 10.964 504 HD2 PRO 64 1HD PRO 64 1.643 -5.408 10.821 505 HD3 PRO 64 2HD PRO 64 2.797 -4.943 9.573 506 H ALA 65 H ALA 65 0.573 -8.466 10.376 507 HA ALA 65 HA ALA 65 -0.006 -11.078 8.994 508 HB1 ALA 65 3HB ALA 65 0.235 -10.556 11.967 509 HB2 ALA 65 1HB ALA 65 -0.297 -12.085 11.229 510 HB3 ALA 65 2HB ALA 65 1.355 -11.487 10.944 511 H TYR 66 H TYR 66 -1.472 -8.531 8.698 512 HA TYR 66 HA TYR 66 -3.811 -8.418 10.365 513 HB2 TYR 66 1HB TYR 66 -2.831 -6.583 8.792 514 HB3 TYR 66 2HB TYR 66 -3.701 -7.366 7.504 515 HD1 TYR 66 HD1 TYR 66 -4.101 -5.789 10.831 516 HD2 TYR 66 HD2 TYR 66 -6.044 -7.057 7.217 517 HE1 TYR 66 HE1 TYR 66 -6.072 -4.407 11.412 518 HE2 TYR 66 HE2 TYR 66 -7.990 -5.627 7.765 519 HH TYR 66 HH TYR 66 -7.817 -3.107 9.898 520 H ALA 67 H ALA 67 -3.199 -10.097 7.348 521 HA ALA 67 HA ALA 67 -5.472 -11.917 7.702 522 HB1 ALA 67 3HB ALA 67 -5.410 -10.028 5.298 523 HB2 ALA 67 1HB ALA 67 -6.520 -11.403 5.505 524 HB3 ALA 67 2HB ALA 67 -6.623 -10.004 6.600 525 H GLU 68 H GLU 68 -5.111 -13.819 6.555 526 HA GLU 68 HA GLU 68 -2.658 -14.589 5.604 527 HB2 GLU 68 1HB GLU 68 -4.709 -15.908 6.339 528 HB3 GLU 68 2HB GLU 68 -5.289 -15.729 4.652 529 HG2 GLU 68 1HG GLU 68 -4.219 -17.919 4.856 530 HG3 GLU 68 2HG GLU 68 -3.158 -16.913 3.899 531 H ALA 69 H ALA 69 -4.643 -12.437 3.892 532 HA ALA 69 HA ALA 69 -5.113 -11.891 1.643 533 HB1 ALA 69 3HB ALA 69 -2.161 -12.240 1.708 534 HB2 ALA 69 1HB ALA 69 -3.123 -11.319 0.528 535 HB3 ALA 69 2HB ALA 69 -3.098 -10.824 2.237 536 H ARG 70 H ARG 70 -6.293 -14.093 1.578 537 HA ARG 70 HA ARG 70 -5.474 -16.301 0.232 538 HB2 ARG 70 1HB ARG 70 -7.755 -15.886 1.296 539 HB3 ARG 70 2HB ARG 70 -8.203 -14.912 -0.083 540 HG2 ARG 70 1HG ARG 70 -7.474 -17.156 -1.414 541 HG3 ARG 70 2HG ARG 70 -7.923 -17.877 0.118 542 HD2 ARG 70 1HD ARG 70 -10.096 -16.915 0.037 543 HD3 ARG 70 2HD ARG 70 -9.654 -15.946 -1.412 544 HE ARG 70 HE ARG 70 -9.093 -18.760 -1.829 545 HH11 ARG 70 1HH1 ARG 70 -11.837 -16.454 -2.026 546 HH12 ARG 70 2HH1 ARG 70 -12.771 -17.569 -3.059 547 HH21 ARG 70 1HH2 ARG 70 -10.303 -20.049 -3.165 548 HH22 ARG 70 2HH2 ARG 70 -11.931 -19.535 -3.685 549 H SER 71 H SER 71 -6.301 -13.216 -1.256 550 HA SER 71 HA SER 71 -5.270 -13.675 -3.792 551 HB2 SER 71 1HB SER 71 -7.023 -15.297 -4.219 552 HB3 SER 71 2HB SER 71 -8.271 -14.189 -3.676 553 HG SER 71 HG SER 71 -6.821 -14.265 -6.083 554 H ARG 72 H ARG 72 -8.464 -12.278 -3.547 555 HA ARG 72 HA ARG 72 -7.588 -9.557 -4.100 556 HB2 ARG 72 1HB ARG 72 -10.356 -10.723 -3.421 557 HB3 ARG 72 2HB ARG 72 -10.081 -9.147 -4.121 558 HG2 ARG 72 1HG ARG 72 -9.369 -10.049 -6.185 559 HG3 ARG 72 2HG ARG 72 -9.062 -11.639 -5.498 560 HD2 ARG 72 1HD ARG 72 -11.581 -11.675 -4.936 561 HD3 ARG 72 2HD ARG 72 -11.697 -10.314 -6.087 562 HE ARG 72 HE ARG 72 -11.219 -13.133 -6.702 563 HH11 ARG 72 1HH1 ARG 72 -10.697 -9.832 -8.001 564 HH12 ARG 72 2HH1 ARG 72 -10.438 -10.459 -9.652 565 HH21 ARG 72 1HH2 ARG 72 -10.836 -13.829 -8.776 566 HH22 ARG 72 2HH2 ARG 72 -10.514 -12.650 -10.076 567 H LEU 73 H LEU 73 -6.520 -10.287 -1.495 568 HA LEU 73 HA LEU 73 -6.661 -10.060 0.791 569 HB2 LEU 73 1HB LEU 73 -6.779 -7.410 -0.580 570 HB3 LEU 73 2HB LEU 73 -6.865 -7.437 1.170 571 HG LEU 73 HG LEU 73 -4.775 -9.146 -0.093 572 HD11 LEU 73 1HD1 LEU 73 -3.273 -7.194 -0.315 573 HD12 LEU 73 2HD1 LEU 73 -4.665 -7.060 -1.417 574 HD13 LEU 73 3HD1 LEU 73 -4.624 -6.107 0.085 575 HD21 LEU 73 3HD2 LEU 73 -5.093 -9.015 2.365 576 HD22 LEU 73 1HD2 LEU 73 -3.525 -8.323 1.887 577 HD23 LEU 73 2HD2 LEU 73 -4.883 -7.250 2.299 578 H ALA 74 H ALA 74 -9.247 -10.983 0.040 579 HA ALA 74 HA ALA 74 -11.508 -11.089 0.492 580 HB1 ALA 74 3HB ALA 74 -10.788 -9.746 3.028 581 HB2 ALA 74 1HB ALA 74 -12.331 -10.523 2.603 582 HB3 ALA 74 2HB ALA 74 -10.842 -11.493 2.689 583 H LYS 75 H LYS 75 -12.199 -10.015 -1.229 584 HA LYS 75 HA LYS 75 -13.142 -8.479 -2.555 585 HB2 LYS 75 1HB LYS 75 -14.714 -8.990 -0.460 586 HB3 LYS 75 2HB LYS 75 -14.630 -7.230 -0.356 587 HG2 LYS 75 1HG LYS 75 -15.315 -7.035 -2.721 588 HG3 LYS 75 2HG LYS 75 -15.334 -8.793 -2.879 589 HD2 LYS 75 1HD LYS 75 -17.091 -8.875 -1.046 590 HD3 LYS 75 2HD LYS 75 -17.135 -7.119 -1.067 591 HE2 LYS 75 1HE LYS 75 -17.773 -7.177 -3.479 592 HE3 LYS 75 2HE LYS 75 -17.779 -8.943 -3.416 593 HZ1 LYS 75 3HZ LYS 75 -19.438 -7.152 -1.770 594 HZ2 LYS 75 1HZ LYS 75 -19.947 -8.040 -3.105 595 HZ3 LYS 75 2HZ LYS 75 -19.445 -8.833 -1.709 596 H GLU 76 H GLU 76 -11.033 -7.506 -2.904 597 HA GLU 76 HA GLU 76 -11.099 -4.615 -2.699 598 HB2 GLU 76 1HB GLU 76 -9.550 -6.173 -0.808 599 HB3 GLU 76 2HB GLU 76 -8.414 -5.489 -1.956 600 HG2 GLU 76 1HG GLU 76 -9.701 -3.245 -1.552 601 HG3 GLU 76 2HG GLU 76 -10.316 -4.056 -0.107 602 H MET 77 H MET 77 -9.012 -3.807 -3.903 603 HA MET 77 HA MET 77 -7.896 -3.576 -5.834 604 HB2 MET 77 1HB MET 77 -6.223 -5.153 -6.331 605 HB3 MET 77 2HB MET 77 -6.320 -4.649 -4.610 606 HG2 MET 77 1HG MET 77 -7.234 -6.766 -3.984 607 HG3 MET 77 2HG MET 77 -7.355 -7.270 -5.699 608 HE1 MET 77 3HE MET 77 -4.870 -6.866 -7.173 609 HE2 MET 77 1HE MET 77 -3.846 -8.248 -6.717 610 HE3 MET 77 2HE MET 77 -5.594 -8.477 -6.956 611 H GLY 78 H GLY 78 -10.529 -4.135 -6.403 612 HA2 GLY 78 1HA GLY 78 -10.402 -5.052 -9.201 613 HA3 GLY 78 2HA GLY 78 -11.307 -6.156 -8.151 614 H LEU 79 H LEU 79 -13.232 -5.629 -9.371 615 HA LEU 79 HA LEU 79 -14.262 -3.004 -9.591 616 HB2 LEU 79 1HB LEU 79 -15.425 -5.698 -10.193 617 HB3 LEU 79 2HB LEU 79 -16.452 -4.310 -10.173 618 HG LEU 79 HG LEU 79 -14.631 -3.240 -11.711 619 HD11 LEU 79 1HD1 LEU 79 -13.522 -4.821 -13.158 620 HD12 LEU 79 2HD1 LEU 79 -12.927 -4.914 -11.483 621 HD13 LEU 79 3HD1 LEU 79 -14.034 -6.161 -12.105 622 HD21 LEU 79 3HD2 LEU 79 -16.976 -3.781 -12.306 623 HD22 LEU 79 1HD2 LEU 79 -15.864 -4.208 -13.628 624 HD23 LEU 79 2HD2 LEU 79 -16.517 -5.480 -12.569 625 H GLY 80 H GLY 80 -15.481 -5.692 -7.528 626 HA2 GLY 80 1HA GLY 80 -16.828 -5.686 -5.647 627 HA3 GLY 80 2HA GLY 80 -16.066 -4.118 -5.223 628 H GLN 81 H GLN 81 -18.266 -4.930 -7.966 629 HA GLN 81 HA GLN 81 -19.892 -2.534 -7.493 630 HB2 GLN 81 1HB GLN 81 -19.013 -3.357 -9.743 631 HB3 GLN 81 2HB GLN 81 -20.197 -4.647 -9.634 632 HG2 GLN 81 1HG GLN 81 -21.905 -2.627 -9.162 633 HG3 GLN 81 2HG GLN 81 -20.682 -1.679 -9.953 634 HE21 GLN 81 1HE2 GLN 81 -23.453 -2.650 -10.605 635 HE22 GLN 81 2HE2 GLN 81 -23.250 -3.239 -12.236 636 H ARG 82 H ARG 82 -20.285 -3.748 -5.279 637 HA ARG 82 HA ARG 82 -23.119 -4.333 -5.138 638 HB2 ARG 82 1HB ARG 82 -21.907 -6.583 -6.028 639 HB3 ARG 82 2HB ARG 82 -21.556 -6.775 -4.312 640 HG2 ARG 82 1HG ARG 82 -23.949 -6.614 -3.769 641 HG3 ARG 82 2HG ARG 82 -24.339 -6.305 -5.461 642 HD2 ARG 82 1HD ARG 82 -23.418 -8.496 -6.084 643 HD3 ARG 82 2HD ARG 82 -23.029 -8.810 -4.367 644 HE ARG 82 HE ARG 82 -25.773 -8.571 -5.572 645 HH11 ARG 82 1HH1 ARG 82 -23.790 -9.319 -2.686 646 HH12 ARG 82 2HH1 ARG 82 -25.165 -10.095 -1.854 647 HH21 ARG 82 1HH2 ARG 82 -27.463 -9.507 -4.433 648 HH22 ARG 82 2HH2 ARG 82 -27.179 -10.196 -2.812 649 H ARG 83 H ARG 83 -23.874 -4.318 -3.082 650 HA ARG 83 HA ARG 83 -21.833 -3.779 -0.927 651 HB2 ARG 83 1HB ARG 83 -23.437 -1.901 -1.433 652 HB3 ARG 83 2HB ARG 83 -24.777 -2.959 -0.993 653 HG2 ARG 83 1HG ARG 83 -23.608 -3.246 1.309 654 HG3 ARG 83 2HG ARG 83 -22.557 -1.936 0.841 655 HD2 ARG 83 1HD ARG 83 -24.360 -0.428 0.639 656 HD3 ARG 83 2HD ARG 83 -25.553 -1.759 0.843 657 HE ARG 83 HE ARG 83 -23.659 -1.784 3.019 658 HH11 ARG 83 1HH1 ARG 83 -26.596 0.017 2.024 659 HH12 ARG 83 2HH1 ARG 83 -26.898 0.566 3.694 660 HH21 ARG 83 1HH2 ARG 83 -24.153 -1.117 5.077 661 HH22 ARG 83 2HH2 ARG 83 -25.559 -0.058 5.369 662 H LYS 84 H LYS 84 -21.554 -5.280 0.481 663 HA LYS 84 HA LYS 84 -23.706 -7.332 1.070 664 HB2 LYS 84 1HB LYS 84 -22.116 -8.781 1.854 665 HB3 LYS 84 2HB LYS 84 -21.588 -8.172 0.240 666 HG2 LYS 84 1HG LYS 84 -20.442 -7.119 2.805 667 HG3 LYS 84 2HG LYS 84 -19.823 -8.605 2.009 668 HD2 LYS 84 1HD LYS 84 -18.377 -7.105 0.987 669 HD3 LYS 84 2HD LYS 84 -19.712 -6.817 -0.085 670 HE2 LYS 84 1HE LYS 84 -20.425 -4.903 1.305 671 HE3 LYS 84 2HE LYS 84 -19.041 -5.188 2.371 672 HZ1 LYS 84 3HZ LYS 84 -18.907 -4.637 -0.520 673 HZ2 LYS 84 1HZ LYS 84 -18.563 -3.554 0.719 674 HZ3 LYS 84 2HZ LYS 84 -17.592 -4.910 0.492 675 H ALA 85 H ALA 85 -24.049 -7.988 3.170 676 HA ALA 85 HA ALA 85 -23.711 -5.808 5.255 677 HB1 ALA 85 3HB ALA 85 -25.886 -7.894 4.883 678 HB2 ALA 85 1HB ALA 85 -25.808 -6.683 6.184 679 HB3 ALA 85 2HB ALA 85 -26.015 -6.161 4.496 680 H ASN 86 H ASN 86 -24.030 -6.809 7.548 681 HA ASN 86 HA ASN 86 -21.860 -8.495 8.233 682 HB2 ASN 86 1HB ASN 86 -23.119 -6.736 9.688 683 HB3 ASN 86 2HB ASN 86 -24.346 -7.932 9.930 684 HD21 ASN 86 1HD2 ASN 86 -23.601 -7.336 12.153 685 HD22 ASN 86 2HD2 ASN 86 -22.307 -8.320 12.786 686 H ARG 87 H ARG 87 -21.706 -10.501 7.535 687 HA ARG 87 HA ARG 87 -22.131 -12.717 6.917 688 HB2 ARG 87 1HB ARG 87 -22.631 -12.805 9.281 689 HB3 ARG 87 2HB ARG 87 -24.365 -12.594 8.859 690 HG2 ARG 87 1HG ARG 87 -23.856 -14.993 9.248 691 HG3 ARG 87 2HG ARG 87 -24.266 -14.755 7.577 692 HD2 ARG 87 1HD ARG 87 -21.831 -14.695 7.019 693 HD3 ARG 87 2HD ARG 87 -21.485 -15.073 8.713 694 HE ARG 87 HE ARG 87 -22.220 -17.247 8.408 695 HH11 ARG 87 1HH1 ARG 87 -23.342 -15.380 5.553 696 HH12 ARG 87 2HH1 ARG 87 -23.736 -16.872 4.658 697 HH21 ARG 87 1HH2 ARG 87 -22.828 -19.050 7.239 698 HH22 ARG 87 2HH2 ARG 87 -23.459 -18.873 5.579 Start of MODEL 18 1 H1 ALA 1 1H ALA 1 8.105 15.857 9.671 2 HA ALA 1 HA ALA 1 8.231 14.208 12.046 3 HB1 ALA 1 3HB ALA 1 6.854 12.930 9.682 4 HB2 ALA 1 1HB ALA 1 7.393 12.117 11.172 5 HB3 ALA 1 2HB ALA 1 6.105 13.344 11.243 6 H VAL 2 H VAL 2 9.339 11.907 11.259 7 HA VAL 2 HA VAL 2 12.031 12.491 10.820 8 HB VAL 2 HB VAL 2 11.181 10.469 11.772 9 HG11 VAL 2 1HG1 VAL 2 10.565 8.542 10.380 10 HG12 VAL 2 2HG1 VAL 2 9.382 9.859 10.208 11 HG13 VAL 2 3HG1 VAL 2 10.585 9.571 8.929 12 HG21 VAL 2 3HG2 VAL 2 13.461 10.625 11.254 13 HG22 VAL 2 1HG2 VAL 2 12.870 8.976 10.941 14 HG23 VAL 2 2HG2 VAL 2 13.174 10.086 9.583 15 H ASN 3 H ASN 3 9.612 11.861 8.349 16 HA ASN 3 HA ASN 3 11.420 12.005 6.005 17 HB2 ASN 3 1HB ASN 3 9.332 11.929 4.769 18 HB3 ASN 3 2HB ASN 3 9.548 10.584 5.939 19 HD21 ASN 3 1HD2 ASN 3 7.117 11.734 4.576 20 HD22 ASN 3 2HD2 ASN 3 5.990 11.955 5.942 21 H VAL 4 H VAL 4 12.279 14.044 7.169 22 HA VAL 4 HA VAL 4 10.958 16.593 6.783 23 HB VAL 4 HB VAL 4 13.261 17.546 7.224 24 HG11 VAL 4 1HG1 VAL 4 13.115 16.971 9.587 25 HG12 VAL 4 2HG1 VAL 4 11.495 17.295 8.927 26 HG13 VAL 4 3HG1 VAL 4 12.021 15.619 9.213 27 HG21 VAL 4 3HG2 VAL 4 14.658 15.775 6.477 28 HG22 VAL 4 1HG2 VAL 4 14.908 16.142 8.200 29 HG23 VAL 4 2HG2 VAL 4 13.992 14.693 7.723 30 H GLU 5 H GLU 5 10.515 15.532 4.429 31 HA GLU 5 HA GLU 5 10.777 15.554 2.102 32 HB2 GLU 5 1HB GLU 5 10.293 17.926 2.447 33 HB3 GLU 5 2HB GLU 5 12.004 18.271 2.541 34 HG2 GLU 5 1HG GLU 5 12.282 17.250 0.279 35 HG3 GLU 5 2HG GLU 5 10.495 17.125 0.199 36 H LYS 6 H LYS 6 12.034 13.776 1.997 37 HA LYS 6 HA LYS 6 14.618 13.872 0.739 38 HB2 LYS 6 1HB LYS 6 15.178 14.622 3.199 39 HB3 LYS 6 2HB LYS 6 15.008 12.901 3.557 40 HG2 LYS 6 1HG LYS 6 16.763 12.305 2.054 41 HG3 LYS 6 2HG LYS 6 16.740 13.891 1.267 42 HD2 LYS 6 1HD LYS 6 17.420 14.887 3.526 43 HD3 LYS 6 2HD LYS 6 17.697 13.230 4.078 44 HE2 LYS 6 1HE LYS 6 19.386 12.870 2.366 45 HE3 LYS 6 2HE LYS 6 19.003 14.411 1.589 46 HZ1 LYS 6 3HZ LYS 6 20.076 14.071 4.311 47 HZ2 LYS 6 1HZ LYS 6 20.936 14.564 2.953 48 HZ3 LYS 6 2HZ LYS 6 19.712 15.537 3.571 49 H GLN 7 H GLN 7 12.803 12.058 3.216 50 HA GLN 7 HA GLN 7 11.976 9.873 3.312 51 HB2 GLN 7 1HB GLN 7 11.889 10.203 0.337 52 HB3 GLN 7 2HB GLN 7 11.147 8.863 1.268 53 HG2 GLN 7 1HG GLN 7 9.347 10.231 1.026 54 HG3 GLN 7 2HG GLN 7 10.018 10.865 2.567 55 HE21 GLN 7 1HE2 GLN 7 8.298 12.502 1.478 56 HE22 GLN 7 2HE2 GLN 7 9.111 13.860 0.658 57 H LYS 8 H LYS 8 12.390 7.558 1.889 58 HA LYS 8 HA LYS 8 14.963 7.141 0.682 59 HB2 LYS 8 1HB LYS 8 15.065 6.929 3.531 60 HB3 LYS 8 2HB LYS 8 15.522 5.407 2.699 61 HG2 LYS 8 1HG LYS 8 17.433 6.422 1.699 62 HG3 LYS 8 2HG LYS 8 16.616 7.920 1.420 63 HD2 LYS 8 1HD LYS 8 16.825 8.265 3.973 64 HD3 LYS 8 2HD LYS 8 18.066 6.987 3.837 65 HE2 LYS 8 1HE LYS 8 19.278 8.310 2.110 66 HE3 LYS 8 2HE LYS 8 18.013 9.517 2.081 67 HZ1 LYS 8 3HZ LYS 8 19.736 8.892 4.365 68 HZ2 LYS 8 1HZ LYS 8 19.857 10.212 3.329 69 HZ3 LYS 8 2HZ LYS 8 18.520 10.053 4.337 70 HA PRO 9 HA PRO 9 12.943 3.258 -0.545 71 HB2 PRO 9 1HB PRO 9 15.151 1.840 -1.284 72 HB3 PRO 9 2HB PRO 9 14.386 3.054 -2.311 73 HG2 PRO 9 1HG PRO 9 16.818 3.375 -0.487 74 HG3 PRO 9 2HG PRO 9 16.621 3.928 -2.148 75 HD2 PRO 9 1HD PRO 9 16.152 5.668 -0.019 76 HD3 PRO 9 2HD PRO 9 15.028 5.709 -1.463 77 H ALA 10 H ALA 10 12.053 2.459 1.137 78 HA ALA 10 HA ALA 10 13.454 1.257 3.451 79 HB1 ALA 10 3HB ALA 10 10.581 1.245 2.527 80 HB2 ALA 10 1HB ALA 10 11.181 0.722 4.118 81 HB3 ALA 10 2HB ALA 10 11.341 2.423 3.622 82 H VAL 11 H VAL 11 14.804 0.088 1.835 83 HA VAL 11 HA VAL 11 15.549 -1.762 0.695 84 HB VAL 11 HB VAL 11 15.319 -3.923 1.725 85 HG11 VAL 11 1HG1 VAL 11 16.572 -3.224 3.710 86 HG12 VAL 11 2HG1 VAL 11 17.082 -2.285 2.287 87 HG13 VAL 11 3HG1 VAL 11 16.005 -1.551 3.499 88 HG21 VAL 11 3HG2 VAL 11 13.150 -3.940 2.604 89 HG22 VAL 11 1HG2 VAL 11 14.379 -4.201 3.864 90 HG23 VAL 11 2HG2 VAL 11 13.559 -2.627 3.733 91 H SER 12 H SER 12 14.710 -4.247 0.076 92 HA SER 12 HA SER 12 12.448 -3.907 -1.832 93 HB2 SER 12 1HB SER 12 14.488 -5.197 -2.460 94 HB3 SER 12 2HB SER 12 14.109 -6.377 -1.198 95 HG SER 12 HG SER 12 12.112 -5.657 -3.163 96 H VAL 13 H VAL 13 10.728 -5.483 -1.888 97 HA VAL 13 HA VAL 13 9.037 -5.478 0.339 98 HB VAL 13 HB VAL 13 8.430 -5.788 -2.008 99 HG11 VAL 13 1HG1 VAL 13 8.217 -8.059 -2.915 100 HG12 VAL 13 2HG1 VAL 13 9.925 -7.628 -2.663 101 HG13 VAL 13 3HG1 VAL 13 9.103 -8.710 -1.515 102 HG21 VAL 13 3HG2 VAL 13 6.815 -5.879 -0.301 103 HG22 VAL 13 1HG2 VAL 13 6.458 -7.090 -1.557 104 HG23 VAL 13 2HG2 VAL 13 7.159 -7.600 -0.002 105 H ARG 14 H ARG 14 11.555 -7.796 -0.351 106 HA ARG 14 HA ARG 14 11.051 -10.093 1.234 107 HB2 ARG 14 1HB ARG 14 13.721 -8.648 1.051 108 HB3 ARG 14 2HB ARG 14 13.458 -10.317 1.431 109 HG2 ARG 14 1HG ARG 14 12.493 -10.649 -0.886 110 HG3 ARG 14 2HG ARG 14 12.902 -8.997 -1.249 111 HD2 ARG 14 1HD ARG 14 14.729 -10.127 -2.050 112 HD3 ARG 14 2HD ARG 14 15.309 -9.681 -0.440 113 HE ARG 14 HE ARG 14 13.992 -12.180 -0.202 114 HH11 ARG 14 1HH1 ARG 14 17.087 -10.864 -1.443 115 HH12 ARG 14 2HH1 ARG 14 17.833 -12.485 -1.480 116 HH21 ARG 14 1HH2 ARG 14 15.030 -14.159 -0.235 117 HH22 ARG 14 2HH2 ARG 14 16.711 -14.281 -0.816 118 H LYS 15 H LYS 15 12.018 -6.873 2.452 119 HA LYS 15 HA LYS 15 11.290 -7.824 5.275 120 HB2 LYS 15 1HB LYS 15 13.813 -7.471 4.730 121 HB3 LYS 15 2HB LYS 15 13.427 -5.776 4.784 122 HG2 LYS 15 1HG LYS 15 12.447 -6.122 7.093 123 HG3 LYS 15 2HG LYS 15 12.997 -7.780 7.029 124 HD2 LYS 15 1HD LYS 15 14.820 -5.413 6.618 125 HD3 LYS 15 2HD LYS 15 14.503 -6.199 8.196 126 HE2 LYS 15 1HE LYS 15 15.650 -7.725 5.811 127 HE3 LYS 15 2HE LYS 15 16.666 -6.931 6.992 128 HZ1 LYS 15 3HZ LYS 15 14.683 -9.011 7.559 129 HZ2 LYS 15 1HZ LYS 15 16.354 -9.190 7.488 130 HZ3 LYS 15 2HZ LYS 15 15.660 -8.246 8.695 131 H SER 16 H SER 16 9.561 -6.582 3.195 132 HA SER 16 HA SER 16 8.994 -3.802 3.994 133 HB2 SER 16 1HB SER 16 8.296 -4.982 1.846 134 HB3 SER 16 2HB SER 16 6.984 -5.684 2.814 135 HG SER 16 HG SER 16 7.596 -2.834 2.654 136 H VAL 17 H VAL 17 7.846 -6.950 4.994 137 HA VAL 17 HA VAL 17 6.109 -5.879 7.156 138 HB VAL 17 HB VAL 17 6.563 -8.455 5.706 139 HG11 VAL 17 1HG1 VAL 17 5.177 -9.755 7.247 140 HG12 VAL 17 2HG1 VAL 17 6.701 -9.256 8.019 141 HG13 VAL 17 3HG1 VAL 17 5.187 -8.408 8.410 142 HG21 VAL 17 3HG2 VAL 17 4.816 -6.883 5.006 143 HG22 VAL 17 1HG2 VAL 17 4.080 -8.380 5.625 144 HG23 VAL 17 2HG2 VAL 17 4.105 -6.917 6.637 145 H GLN 18 H GLN 18 6.955 -5.425 9.038 146 HA GLN 18 HA GLN 18 9.247 -7.083 10.164 147 HB2 GLN 18 1HB GLN 18 8.830 -4.080 10.379 148 HB3 GLN 18 2HB GLN 18 10.029 -4.993 11.267 149 HG2 GLN 18 1HG GLN 18 11.165 -5.638 9.173 150 HG3 GLN 18 2HG GLN 18 9.903 -4.930 8.211 151 HE21 GLN 18 1HE2 GLN 18 10.821 -3.360 7.169 152 HE22 GLN 18 2HE2 GLN 18 11.878 -2.121 7.897 153 H ASP 19 H ASP 19 9.240 -5.974 12.708 154 HA ASP 19 HA ASP 19 7.314 -7.647 14.027 155 HB2 ASP 19 1HB ASP 19 9.145 -5.490 15.057 156 HB3 ASP 19 2HB ASP 19 8.145 -6.556 16.100 157 H ASP 20 H ASP 20 5.257 -7.048 13.305 158 HA ASP 20 HA ASP 20 3.278 -5.873 13.150 159 HB2 ASP 20 1HB ASP 20 3.942 -5.867 15.919 160 HB3 ASP 20 2HB ASP 20 2.955 -4.476 15.498 161 H HIS 21 H HIS 21 5.499 -4.584 11.965 162 HA HIS 21 HA HIS 21 4.260 -1.921 11.522 163 HB2 HIS 21 1HB HIS 21 6.277 -0.651 11.709 164 HB3 HIS 21 2HB HIS 21 5.658 -1.288 13.273 165 HD2 HIS 21 HD2 HIS 21 8.707 -1.325 11.016 166 HE1 HIS 21 HE1 HIS 21 9.797 -3.219 14.626 167 HE2 HIS 21 HE2 HIS 21 10.673 -2.166 12.445 168 H ILE 22 H ILE 22 4.130 -1.612 9.539 169 HA ILE 22 HA ILE 22 5.800 -3.146 7.597 170 HB ILE 22 HB ILE 22 3.414 -3.599 7.642 171 HG12 ILE 22 1HG1 ILE 22 4.640 -4.226 5.839 172 HG13 ILE 22 2HG1 ILE 22 2.990 -3.687 5.371 173 HG21 ILE 22 1HG2 ILE 22 1.786 -2.069 6.636 174 HG22 ILE 22 2HG2 ILE 22 2.438 -1.405 8.153 175 HG23 ILE 22 3HG2 ILE 22 3.011 -0.779 6.588 176 HD11 ILE 22 3HD1 ILE 22 5.565 -2.150 4.937 177 HD12 ILE 22 1HD1 ILE 22 4.651 -3.049 3.702 178 HD13 ILE 22 2HD1 ILE 22 3.931 -1.616 4.473 179 H VAL 23 H VAL 23 7.242 -2.105 6.474 180 HA VAL 23 HA VAL 23 7.846 0.767 7.047 181 HB VAL 23 HB VAL 23 9.388 -1.112 7.280 182 HG11 VAL 23 1HG1 VAL 23 10.729 -1.752 5.331 183 HG12 VAL 23 2HG1 VAL 23 9.053 -2.329 5.173 184 HG13 VAL 23 3HG1 VAL 23 9.593 -0.901 4.257 185 HG21 VAL 23 3HG2 VAL 23 10.002 1.083 7.576 186 HG22 VAL 23 1HG2 VAL 23 11.262 0.220 6.662 187 HG23 VAL 23 2HG2 VAL 23 10.167 1.345 5.823 188 H CYS 24 H CYS 24 7.564 2.459 5.914 189 HA CYS 24 HA CYS 24 5.885 2.285 3.539 190 HB2 CYS 24 1HB CYS 24 5.536 4.008 5.267 191 HB3 CYS 24 2HB CYS 24 7.084 4.749 4.815 192 H LEU 25 H LEU 25 6.953 1.491 1.792 193 HA LEU 25 HA LEU 25 9.583 2.246 0.867 194 HB2 LEU 25 1HB LEU 25 7.136 1.172 -0.439 195 HB3 LEU 25 2HB LEU 25 8.520 1.759 -1.428 196 HG LEU 25 HG LEU 25 8.579 -0.690 -1.139 197 HD11 LEU 25 1HD1 LEU 25 10.868 -0.874 -0.295 198 HD12 LEU 25 2HD1 LEU 25 10.700 0.555 -1.344 199 HD13 LEU 25 3HD1 LEU 25 10.750 0.749 0.424 200 HD21 LEU 25 3HD2 LEU 25 7.366 -0.985 0.851 201 HD22 LEU 25 1HD2 LEU 25 8.962 -1.772 0.928 202 HD23 LEU 25 2HD2 LEU 25 8.678 -0.246 1.801 203 H GLU 26 H GLU 26 10.317 3.795 -0.456 204 HA GLU 26 HA GLU 26 10.610 5.961 -1.201 205 HB2 GLU 26 1HB GLU 26 8.702 5.090 -2.676 206 HB3 GLU 26 2HB GLU 26 7.657 6.176 -1.701 207 HG2 GLU 26 1HG GLU 26 9.051 8.118 -2.449 208 HG3 GLU 26 2HG GLU 26 10.019 7.045 -3.435 209 H CYS 27 H CYS 27 9.424 5.415 1.716 210 HA CYS 27 HA CYS 27 9.168 8.349 2.254 211 HB2 CYS 27 1HB CYS 27 6.943 6.977 2.363 212 HB3 CYS 27 2HB CYS 27 7.579 6.458 3.937 213 H GLY 28 H GLY 28 9.487 5.085 3.825 214 HA2 GLY 28 1HA GLY 28 11.691 4.485 4.926 215 HA3 GLY 28 2HA GLY 28 11.847 6.145 5.449 216 H GLY 29 H GLY 29 9.455 6.800 6.474 217 HA2 GLY 29 1HA GLY 29 9.383 5.714 9.140 218 HA3 GLY 29 2HA GLY 29 8.052 6.560 8.395 219 H SER 30 H SER 30 8.187 4.319 10.244 220 HA SER 30 HA SER 30 6.721 2.199 8.612 221 HB2 SER 30 1HB SER 30 9.013 1.563 9.468 222 HB3 SER 30 2HB SER 30 8.323 1.670 11.104 223 HG SER 30 HG SER 30 6.499 0.287 9.798 224 H PHE 31 H PHE 31 5.102 1.080 9.594 225 HA PHE 31 HA PHE 31 3.678 1.977 12.033 226 HB2 PHE 31 1HB PHE 31 1.732 2.861 10.687 227 HB3 PHE 31 2HB PHE 31 3.147 3.940 10.926 228 HD1 PHE 31 HD1 PHE 31 2.511 1.237 8.324 229 HD2 PHE 31 HD2 PHE 31 3.239 5.374 9.193 230 HE1 PHE 31 HE1 PHE 31 3.245 1.597 5.993 231 HE2 PHE 31 HE2 PHE 31 3.841 5.759 6.827 232 HZ PHE 31 HZ PHE 31 3.756 3.888 5.203 233 H LYS 32 H LYS 32 1.449 1.095 12.140 234 HA LYS 32 HA LYS 32 1.400 -1.667 11.204 235 HB2 LYS 32 1HB LYS 32 -0.469 0.011 12.835 236 HB3 LYS 32 2HB LYS 32 -1.012 -1.530 12.199 237 HG2 LYS 32 1HG LYS 32 1.073 -2.582 13.238 238 HG3 LYS 32 2HG LYS 32 1.358 -1.039 14.035 239 HD2 LYS 32 1HD LYS 32 0.118 -2.434 15.581 240 HD3 LYS 32 2HD LYS 32 -1.003 -1.213 15.014 241 HE2 LYS 32 1HE LYS 32 -1.699 -2.977 13.220 242 HE3 LYS 32 2HE LYS 32 -0.878 -4.134 14.271 243 HZ1 LYS 32 3HZ LYS 32 -3.028 -2.297 15.078 244 HZ2 LYS 32 1HZ LYS 32 -3.177 -3.947 14.789 245 HZ3 LYS 32 2HZ LYS 32 -2.247 -3.399 16.079 246 H SER 33 H SER 33 0.644 1.052 9.387 247 HA SER 33 HA SER 33 -1.028 -0.519 7.515 248 HB2 SER 33 1HB SER 33 -2.908 1.171 7.558 249 HB3 SER 33 2HB SER 33 -2.822 0.011 8.898 250 HG SER 33 HG SER 33 -1.513 2.592 9.077 251 H LEU 34 H LEU 34 0.299 -0.200 5.905 252 HA LEU 34 HA LEU 34 1.373 2.405 5.043 253 HB2 LEU 34 1HB LEU 34 2.343 0.063 4.573 254 HB3 LEU 34 2HB LEU 34 1.220 0.007 3.254 255 HG LEU 34 HG LEU 34 2.908 2.455 3.550 256 HD11 LEU 34 1HD1 LEU 34 4.686 1.303 2.288 257 HD12 LEU 34 2HD1 LEU 34 4.446 0.547 3.881 258 HD13 LEU 34 3HD1 LEU 34 3.793 -0.232 2.420 259 HD21 LEU 34 3HD2 LEU 34 1.192 2.294 1.756 260 HD22 LEU 34 1HD2 LEU 34 2.841 2.313 1.089 261 HD23 LEU 34 2HD2 LEU 34 1.940 0.782 1.191 262 H LYS 35 H LYS 35 -1.448 0.440 4.037 263 HA LYS 35 HA LYS 35 -2.407 1.645 1.693 264 HB2 LYS 35 1HB LYS 35 -3.450 -0.248 3.109 265 HB3 LYS 35 2HB LYS 35 -4.321 1.033 3.922 266 HG2 LYS 35 1HG LYS 35 -4.446 1.534 1.122 267 HG3 LYS 35 2HG LYS 35 -4.860 -0.187 1.444 268 HD2 LYS 35 1HD LYS 35 -6.889 0.979 1.389 269 HD3 LYS 35 2HD LYS 35 -6.536 0.686 3.120 270 HE2 LYS 35 1HE LYS 35 -6.046 2.995 3.508 271 HE3 LYS 35 2HE LYS 35 -5.842 3.343 1.804 272 HZ1 LYS 35 3HZ LYS 35 -8.363 2.633 3.121 273 HZ2 LYS 35 1HZ LYS 35 -7.872 4.163 2.628 274 HZ3 LYS 35 2HZ LYS 35 -8.168 2.966 1.484 275 H ARG 36 H ARG 36 -3.565 2.773 4.873 276 HA ARG 36 HA ARG 36 -4.855 5.209 4.044 277 HB2 ARG 36 1HB ARG 36 -4.648 5.895 6.396 278 HB3 ARG 36 2HB ARG 36 -5.454 4.391 6.108 279 HG2 ARG 36 1HG ARG 36 -4.065 3.364 7.492 280 HG3 ARG 36 2HG ARG 36 -2.670 3.818 6.522 281 HD2 ARG 36 1HD ARG 36 -3.226 6.182 7.712 282 HD3 ARG 36 2HD ARG 36 -3.762 5.011 8.965 283 HE ARG 36 HE ARG 36 -1.255 4.146 7.847 284 HH11 ARG 36 1HH1 ARG 36 -2.550 5.888 10.611 285 HH12 ARG 36 2HH1 ARG 36 -0.934 6.365 11.195 286 HH21 ARG 36 1HH2 ARG 36 0.738 4.577 8.695 287 HH22 ARG 36 2HH2 ARG 36 0.900 5.621 10.132 288 H HIS 37 H HIS 37 -1.701 5.248 5.731 289 HA HIS 37 HA HIS 37 -0.759 7.756 5.170 290 HB2 HIS 37 1HB HIS 37 0.434 6.342 6.577 291 HB3 HIS 37 2HB HIS 37 0.737 5.166 5.259 292 HD1 HIS 37 HD1 HIS 37 1.758 8.630 6.485 293 HD2 HIS 37 HD2 HIS 37 2.945 5.694 3.691 294 HE1 HIS 37 HE1 HIS 37 4.045 9.353 5.563 295 H LEU 38 H LEU 38 -0.448 4.887 3.024 296 HA LEU 38 HA LEU 38 0.939 6.033 0.836 297 HB2 LEU 38 1HB LEU 38 0.418 3.665 1.302 298 HB3 LEU 38 2HB LEU 38 -1.206 3.980 0.588 299 HG LEU 38 HG LEU 38 0.652 2.877 -0.894 300 HD11 LEU 38 1HD1 LEU 38 -0.191 3.993 -2.870 301 HD12 LEU 38 2HD1 LEU 38 -1.522 3.655 -1.739 302 HD13 LEU 38 3HD1 LEU 38 -0.868 5.304 -1.875 303 HD21 LEU 38 3HD2 LEU 38 2.466 4.293 -0.324 304 HD22 LEU 38 1HD2 LEU 38 2.091 4.358 -2.061 305 HD23 LEU 38 2HD2 LEU 38 1.612 5.701 -0.997 306 H THR 39 H THR 39 -2.596 5.459 0.875 307 HA THR 39 HA THR 39 -3.376 7.182 -1.309 308 HB THR 39 HB THR 39 -5.186 6.646 1.018 309 HG1 THR 39 HG1 THR 39 -5.595 4.572 -0.175 310 HG21 THR 39 3HG2 THR 39 -5.520 6.626 -1.998 311 HG22 THR 39 1HG2 THR 39 -6.796 6.365 -0.786 312 HG23 THR 39 2HG2 THR 39 -5.998 7.952 -0.911 313 H THR 40 H THR 40 -2.887 7.991 2.110 314 HA THR 40 HA THR 40 -3.868 10.713 1.971 315 HB THR 40 HB THR 40 -1.935 9.500 4.003 316 HG1 THR 40 HG1 THR 40 -4.708 9.965 4.421 317 HG21 THR 40 3HG2 THR 40 -3.687 11.946 4.183 318 HG22 THR 40 1HG2 THR 40 -2.693 11.223 5.470 319 HG23 THR 40 2HG2 THR 40 -1.912 11.949 4.044 320 H HIS 41 H HIS 41 -0.447 9.536 2.107 321 HA HIS 41 HA HIS 41 0.598 12.309 1.535 322 HB2 HIS 41 1HB HIS 41 1.851 9.817 2.600 323 HB3 HIS 41 2HB HIS 41 2.820 11.071 1.906 324 HD2 HIS 41 HD2 HIS 41 3.888 11.607 4.168 325 HE1 HIS 41 HE1 HIS 41 0.501 13.141 6.161 326 HE2 HIS 41 HE2 HIS 41 3.057 12.818 6.283 327 H HIS 42 H HIS 42 1.978 9.326 0.357 328 HA HIS 42 HA HIS 42 2.677 10.167 -2.247 329 HB2 HIS 42 1HB HIS 42 1.966 7.342 -1.695 330 HB3 HIS 42 2HB HIS 42 3.301 8.053 -2.655 331 HD1 HIS 42 HD1 HIS 42 5.510 8.523 -1.493 332 HD2 HIS 42 HD2 HIS 42 2.423 7.313 1.125 333 HE1 HIS 42 HE1 HIS 42 6.597 8.077 0.792 334 H SER 43 H SER 43 -0.497 9.427 -0.933 335 HA SER 43 HA SER 43 -2.629 9.343 -1.903 336 HB2 SER 43 1HB SER 43 -1.395 10.515 -4.393 337 HB3 SER 43 2HB SER 43 -3.106 10.371 -4.036 338 HG SER 43 HG SER 43 -1.221 12.216 -3.147 339 H MET 44 H MET 44 -3.704 8.514 -4.183 340 HA MET 44 HA MET 44 -4.090 6.821 -5.705 341 HB2 MET 44 1HB MET 44 -1.221 5.978 -5.340 342 HB3 MET 44 2HB MET 44 -2.360 5.427 -6.612 343 HG2 MET 44 1HG MET 44 -2.384 7.691 -7.598 344 HG3 MET 44 2HG MET 44 -1.409 8.323 -6.303 345 HE1 MET 44 3HE MET 44 0.796 6.053 -5.847 346 HE2 MET 44 1HE MET 44 2.068 6.626 -6.953 347 HE3 MET 44 2HE MET 44 1.164 7.791 -5.957 348 H THR 45 H THR 45 -4.353 4.543 -6.023 349 HA THR 45 HA THR 45 -5.102 3.055 -3.583 350 HB THR 45 HB THR 45 -5.589 1.201 -5.199 351 HG1 THR 45 HG1 THR 45 -4.883 3.121 -7.200 352 HG21 THR 45 3HG2 THR 45 -6.824 3.903 -5.802 353 HG22 THR 45 1HG2 THR 45 -7.518 2.307 -6.173 354 HG23 THR 45 2HG2 THR 45 -7.307 2.814 -4.479 355 HA PRO 46 HA PRO 46 -1.314 0.947 -2.496 356 HB2 PRO 46 1HB PRO 46 -2.301 -1.388 -1.589 357 HB3 PRO 46 2HB PRO 46 -2.364 0.113 -0.665 358 HG2 PRO 46 1HG PRO 46 -4.558 -1.152 -2.375 359 HG3 PRO 46 2HG PRO 46 -4.692 -0.490 -0.749 360 HD2 PRO 46 1HD PRO 46 -5.424 1.045 -2.870 361 HD3 PRO 46 2HD PRO 46 -4.559 1.788 -1.525 362 H GLU 47 H GLU 47 -3.644 -1.074 -4.360 363 HA GLU 47 HA GLU 47 -1.716 -2.772 -5.584 364 HB2 GLU 47 1HB GLU 47 -4.508 -2.095 -6.095 365 HB3 GLU 47 2HB GLU 47 -3.612 -2.534 -7.545 366 HG2 GLU 47 1HG GLU 47 -2.840 -4.628 -6.444 367 HG3 GLU 47 2HG GLU 47 -3.713 -4.188 -4.981 368 H GLU 48 H GLU 48 -2.866 0.445 -6.768 369 HA GLU 48 HA GLU 48 -1.227 0.470 -9.197 370 HB2 GLU 48 1HB GLU 48 -3.164 2.106 -8.191 371 HB3 GLU 48 2HB GLU 48 -1.702 3.074 -7.973 372 HG2 GLU 48 1HG GLU 48 -2.421 3.576 -10.198 373 HG3 GLU 48 2HG GLU 48 -1.127 2.415 -10.439 374 H TYR 49 H TYR 49 -0.639 1.644 -5.890 375 HA TYR 49 HA TYR 49 1.978 2.710 -6.256 376 HB2 TYR 49 1HB TYR 49 0.803 3.216 -4.319 377 HB3 TYR 49 2HB TYR 49 0.553 1.488 -3.915 378 HD1 TYR 49 HD1 TYR 49 3.489 3.806 -4.558 379 HD2 TYR 49 HD2 TYR 49 1.758 0.658 -2.206 380 HE1 TYR 49 HE1 TYR 49 5.410 3.923 -2.990 381 HE2 TYR 49 HE2 TYR 49 3.704 0.731 -0.678 382 HH TYR 49 HH TYR 49 5.778 3.653 -0.751 383 H ARG 50 H ARG 50 1.032 -0.712 -5.568 384 HA ARG 50 HA ARG 50 3.702 -1.776 -5.180 385 HB2 ARG 50 1HB ARG 50 2.992 -3.782 -5.289 386 HB3 ARG 50 2HB ARG 50 1.499 -2.881 -4.811 387 HG2 ARG 50 1HG ARG 50 0.680 -4.507 -6.282 388 HG3 ARG 50 2HG ARG 50 0.874 -3.145 -7.350 389 HD2 ARG 50 1HD ARG 50 2.966 -4.028 -8.207 390 HD3 ARG 50 2HD ARG 50 2.942 -5.339 -7.020 391 HE ARG 50 HE ARG 50 1.117 -6.361 -8.146 392 HH11 ARG 50 1HH1 ARG 50 2.320 -3.496 -9.927 393 HH12 ARG 50 2HH1 ARG 50 1.432 -3.961 -11.403 394 HH21 ARG 50 1HH2 ARG 50 0.085 -6.893 -10.059 395 HH22 ARG 50 2HH2 ARG 50 0.212 -5.816 -11.476 396 H GLU 51 H GLU 51 1.943 -0.960 -8.144 397 HA GLU 51 HA GLU 51 3.737 -2.137 -10.109 398 HB2 GLU 51 1HB GLU 51 1.308 -1.143 -10.283 399 HB3 GLU 51 2HB GLU 51 2.160 0.336 -10.667 400 HG2 GLU 51 1HG GLU 51 3.113 -0.577 -12.638 401 HG3 GLU 51 2HG GLU 51 2.909 -2.226 -12.110 402 H LYS 52 H LYS 52 3.735 1.086 -8.556 403 HA LYS 52 HA LYS 52 5.980 2.305 -9.865 404 HB2 LYS 52 1HB LYS 52 4.693 3.643 -8.565 405 HB3 LYS 52 2HB LYS 52 4.751 2.517 -7.162 406 HG2 LYS 52 1HG LYS 52 5.952 4.578 -6.727 407 HG3 LYS 52 2HG LYS 52 7.049 3.160 -6.738 408 HD2 LYS 52 1HD LYS 52 7.685 3.818 -9.103 409 HD3 LYS 52 2HD LYS 52 6.786 5.325 -8.850 410 HE2 LYS 52 1HE LYS 52 8.235 5.910 -6.940 411 HE3 LYS 52 2HE LYS 52 9.077 4.366 -7.064 412 HZ1 LYS 52 3HZ LYS 52 9.012 6.462 -9.126 413 HZ2 LYS 52 1HZ LYS 52 10.288 6.114 -8.087 414 HZ3 LYS 52 2HZ LYS 52 9.814 4.988 -9.243 415 H TRP 53 H TRP 53 5.976 0.310 -6.895 416 HA TRP 53 HA TRP 53 8.925 0.091 -6.944 417 HB2 TRP 53 1HB TRP 53 6.748 -0.807 -5.041 418 HB3 TRP 53 2HB TRP 53 8.408 -1.345 -4.843 419 HD1 TRP 53 HD1 TRP 53 6.280 1.842 -4.705 420 HE1 TRP 53 HE1 TRP 53 7.701 3.798 -3.858 421 HE3 TRP 53 HE3 TRP 53 10.633 -0.641 -4.294 422 HZ2 TRP 53 HZ2 TRP 53 10.406 4.165 -3.090 423 HZ3 TRP 53 HZ3 TRP 53 12.656 0.523 -3.430 424 HH2 TRP 53 HH2 TRP 53 12.531 2.930 -2.846 425 H ASP 54 H ASP 54 6.823 -1.414 -8.834 426 HA ASP 54 HA ASP 54 6.563 -3.550 -9.887 427 HB2 ASP 54 1HB ASP 54 9.525 -3.904 -9.414 428 HB3 ASP 54 2HB ASP 54 8.553 -4.518 -10.710 429 H LEU 55 H LEU 55 5.937 -3.496 -7.092 430 HA LEU 55 HA LEU 55 7.372 -5.458 -5.563 431 HB2 LEU 55 1HB LEU 55 5.563 -3.397 -5.170 432 HB3 LEU 55 2HB LEU 55 4.850 -4.870 -4.435 433 HG LEU 55 HG LEU 55 6.658 -5.145 -2.973 434 HD11 LEU 55 1HD1 LEU 55 8.708 -3.796 -2.948 435 HD12 LEU 55 2HD1 LEU 55 8.563 -4.715 -4.465 436 HD13 LEU 55 3HD1 LEU 55 8.196 -2.975 -4.442 437 HD21 LEU 55 3HD2 LEU 55 5.113 -3.283 -2.397 438 HD22 LEU 55 1HD2 LEU 55 6.759 -2.914 -1.832 439 HD23 LEU 55 2HD2 LEU 55 6.132 -2.147 -3.312 440 HA PRO 56 HA PRO 56 5.566 -9.110 -7.537 441 HB2 PRO 56 1HB PRO 56 6.859 -10.946 -6.057 442 HB3 PRO 56 2HB PRO 56 7.617 -10.089 -7.399 443 HG2 PRO 56 1HG PRO 56 7.816 -9.489 -4.412 444 HG3 PRO 56 2HG PRO 56 9.114 -9.538 -5.604 445 HD2 PRO 56 1HD PRO 56 7.912 -7.116 -4.876 446 HD3 PRO 56 2HD PRO 56 8.407 -7.402 -6.613 447 H VAL 57 H VAL 57 4.110 -10.532 -7.239 448 HA VAL 57 HA VAL 57 2.071 -11.208 -6.675 449 HB VAL 57 HB VAL 57 3.612 -12.577 -5.370 450 HG11 VAL 57 1HG1 VAL 57 3.303 -12.642 -2.943 451 HG12 VAL 57 2HG1 VAL 57 4.105 -11.135 -3.446 452 HG13 VAL 57 3HG1 VAL 57 2.379 -11.123 -3.008 453 HG21 VAL 57 3HG2 VAL 57 1.512 -13.294 -6.076 454 HG22 VAL 57 1HG2 VAL 57 1.806 -13.830 -4.405 455 HG23 VAL 57 2HG2 VAL 57 0.708 -12.466 -4.722 456 H ASP 58 H ASP 58 2.722 -8.131 -5.978 457 HA ASP 58 HA ASP 58 1.603 -6.300 -5.076 458 HB2 ASP 58 1HB ASP 58 -0.762 -6.247 -5.233 459 HB3 ASP 58 2HB ASP 58 0.195 -6.495 -6.735 460 H TYR 59 H TYR 59 2.818 -7.331 -3.176 461 HA TYR 59 HA TYR 59 1.653 -8.690 -1.036 462 HB2 TYR 59 1HB TYR 59 3.567 -8.215 0.036 463 HB3 TYR 59 2HB TYR 59 4.043 -7.691 -1.614 464 HD1 TYR 59 HD1 TYR 59 3.354 -5.042 -2.048 465 HD2 TYR 59 HD2 TYR 59 4.182 -6.887 1.744 466 HE1 TYR 59 HE1 TYR 59 3.639 -2.816 -1.018 467 HE2 TYR 59 HE2 TYR 59 4.396 -4.655 2.783 468 HH TYR 59 HH TYR 59 5.262 -2.083 1.171 469 HA PRO 60 HA PRO 60 -1.245 -6.027 0.980 470 HB2 PRO 60 1HB PRO 60 -0.988 -6.670 3.553 471 HB3 PRO 60 2HB PRO 60 -1.808 -7.710 2.289 472 HG2 PRO 60 1HG PRO 60 1.055 -7.968 3.432 473 HG3 PRO 60 2HG PRO 60 -0.109 -9.270 3.213 474 HD2 PRO 60 1HD PRO 60 1.783 -8.672 1.231 475 HD3 PRO 60 2HD PRO 60 0.090 -9.172 0.753 476 H MET 61 H MET 61 -1.180 -3.996 1.282 477 HA MET 61 HA MET 61 1.138 -2.617 2.494 478 HB2 MET 61 1HB MET 61 -1.381 -1.688 1.175 479 HB3 MET 61 2HB MET 61 -0.276 -0.569 2.032 480 HG2 MET 61 1HG MET 61 0.420 -0.474 -0.288 481 HG3 MET 61 2HG MET 61 1.587 -1.516 0.446 482 HE1 MET 61 3HE MET 61 2.285 -2.165 -1.909 483 HE2 MET 61 1HE MET 61 1.182 -2.825 -3.141 484 HE3 MET 61 2HE MET 61 0.992 -1.145 -2.585 485 H VAL 62 H VAL 62 -0.290 -4.328 4.337 486 HA VAL 62 HA VAL 62 -0.994 -2.304 6.412 487 HB VAL 62 HB VAL 62 -2.877 -4.656 5.768 488 HG11 VAL 62 1HG1 VAL 62 -4.313 -3.775 7.465 489 HG12 VAL 62 2HG1 VAL 62 -2.753 -4.245 8.182 490 HG13 VAL 62 3HG1 VAL 62 -3.117 -2.527 7.891 491 HG21 VAL 62 3HG2 VAL 62 -3.127 -2.822 4.178 492 HG22 VAL 62 1HG2 VAL 62 -4.516 -2.991 5.277 493 HG23 VAL 62 2HG2 VAL 62 -3.331 -1.689 5.535 494 H ALA 63 H ALA 63 -0.680 -3.183 8.561 495 HA ALA 63 HA ALA 63 1.293 -4.656 9.513 496 HB1 ALA 63 3HB ALA 63 -1.615 -5.076 10.335 497 HB2 ALA 63 1HB ALA 63 -0.198 -5.455 11.344 498 HB3 ALA 63 2HB ALA 63 -0.543 -3.769 10.891 499 HA PRO 64 HA PRO 64 1.542 -8.770 8.003 500 HB2 PRO 64 1HB PRO 64 2.775 -10.045 9.984 501 HB3 PRO 64 2HB PRO 64 3.551 -8.867 8.816 502 HG2 PRO 64 1HG PRO 64 2.572 -8.348 11.705 503 HG3 PRO 64 2HG PRO 64 4.122 -7.871 11.022 504 HD2 PRO 64 1HD PRO 64 1.947 -6.118 10.991 505 HD3 PRO 64 2HD PRO 64 3.069 -6.189 9.550 506 H ALA 65 H ALA 65 -0.904 -8.528 8.498 507 HA ALA 65 HA ALA 65 -1.827 -11.216 8.986 508 HB1 ALA 65 3HB ALA 65 -2.686 -9.117 11.015 509 HB2 ALA 65 1HB ALA 65 -3.397 -10.739 10.842 510 HB3 ALA 65 2HB ALA 65 -1.699 -10.561 11.343 511 H TYR 66 H TYR 66 -1.965 -8.739 7.093 512 HA TYR 66 HA TYR 66 -4.654 -7.739 7.048 513 HB2 TYR 66 1HB TYR 66 -2.749 -6.618 5.870 514 HB3 TYR 66 2HB TYR 66 -2.684 -7.902 4.713 515 HD1 TYR 66 HD1 TYR 66 -5.309 -5.666 6.193 516 HD2 TYR 66 HD2 TYR 66 -3.672 -7.531 2.693 517 HE1 TYR 66 HE1 TYR 66 -6.838 -4.333 4.774 518 HE2 TYR 66 HE2 TYR 66 -5.177 -6.176 1.268 519 HH TYR 66 HH TYR 66 -6.347 -3.357 2.198 520 H ALA 67 H ALA 67 -3.247 -10.575 5.521 521 HA ALA 67 HA ALA 67 -5.814 -11.885 5.043 522 HB1 ALA 67 3HB ALA 67 -4.184 -10.928 2.633 523 HB2 ALA 67 1HB ALA 67 -5.594 -12.013 2.567 524 HB3 ALA 67 2HB ALA 67 -5.795 -10.323 3.088 525 H GLU 68 H GLU 68 -5.556 -14.034 4.641 526 HA GLU 68 HA GLU 68 -3.077 -15.495 5.090 527 HB2 GLU 68 1HB GLU 68 -5.528 -16.215 5.217 528 HB3 GLU 68 2HB GLU 68 -5.383 -16.468 3.450 529 HG2 GLU 68 1HG GLU 68 -4.940 -18.616 4.484 530 HG3 GLU 68 2HG GLU 68 -3.380 -18.009 3.985 531 H ALA 69 H ALA 69 -4.234 -13.883 2.272 532 HA ALA 69 HA ALA 69 -3.521 -13.678 0.105 533 HB1 ALA 69 3HB ALA 69 -0.847 -14.185 1.328 534 HB2 ALA 69 1HB ALA 69 -1.150 -13.538 -0.301 535 HB3 ALA 69 2HB ALA 69 -1.699 -12.635 1.131 536 H ARG 70 H ARG 70 -4.867 -15.684 -0.076 537 HA ARG 70 HA ARG 70 -3.286 -17.760 -1.607 538 HB2 ARG 70 1HB ARG 70 -4.234 -18.653 0.568 539 HB3 ARG 70 2HB ARG 70 -5.849 -18.214 0.012 540 HG2 ARG 70 1HG ARG 70 -5.337 -19.712 -2.075 541 HG3 ARG 70 2HG ARG 70 -3.994 -20.334 -1.152 542 HD2 ARG 70 1HD ARG 70 -5.346 -21.205 0.496 543 HD3 ARG 70 2HD ARG 70 -6.774 -20.247 -0.066 544 HE ARG 70 HE ARG 70 -5.507 -22.027 -2.083 545 HH11 ARG 70 1HH1 ARG 70 -8.116 -21.980 0.375 546 HH12 ARG 70 2HH1 ARG 70 -9.057 -23.207 -0.515 547 HH21 ARG 70 1HH2 ARG 70 -6.746 -23.538 -3.129 548 HH22 ARG 70 2HH2 ARG 70 -8.304 -24.063 -2.437 549 H SER 71 H SER 71 -3.855 -17.975 -3.642 550 HA SER 71 HA SER 71 -4.922 -17.694 -5.678 551 HB2 SER 71 1HB SER 71 -6.086 -19.617 -4.640 552 HB3 SER 71 2HB SER 71 -7.354 -18.538 -4.077 553 HG SER 71 HG SER 71 -7.514 -17.854 -6.441 554 H ARG 72 H ARG 72 -4.423 -15.324 -5.230 555 HA ARG 72 HA ARG 72 -4.888 -13.084 -5.330 556 HB2 ARG 72 1HB ARG 72 -6.682 -14.289 -7.267 557 HB3 ARG 72 2HB ARG 72 -7.420 -12.868 -6.617 558 HG2 ARG 72 1HG ARG 72 -6.194 -12.055 -8.415 559 HG3 ARG 72 2HG ARG 72 -5.113 -11.705 -7.100 560 HD2 ARG 72 1HD ARG 72 -3.694 -13.535 -7.628 561 HD3 ARG 72 2HD ARG 72 -4.892 -14.251 -8.715 562 HE ARG 72 HE ARG 72 -2.986 -12.184 -9.337 563 HH11 ARG 72 1HH1 ARG 72 -6.353 -13.113 -10.171 564 HH12 ARG 72 2HH1 ARG 72 -6.243 -12.318 -11.765 565 HH21 ARG 72 1HH2 ARG 72 -2.960 -11.199 -11.352 566 HH22 ARG 72 2HH2 ARG 72 -4.398 -11.277 -12.406 567 H LEU 73 H LEU 73 -6.257 -14.703 -3.069 568 HA LEU 73 HA LEU 73 -7.592 -14.342 -1.186 569 HB2 LEU 73 1HB LEU 73 -6.216 -12.537 -0.788 570 HB3 LEU 73 2HB LEU 73 -7.205 -11.481 -1.844 571 HG LEU 73 HG LEU 73 -9.161 -11.959 -0.228 572 HD11 LEU 73 1HD1 LEU 73 -8.583 -12.652 2.020 573 HD12 LEU 73 2HD1 LEU 73 -8.214 -13.953 0.862 574 HD13 LEU 73 3HD1 LEU 73 -6.900 -12.954 1.525 575 HD21 LEU 73 3HD2 LEU 73 -8.062 -9.850 -0.369 576 HD22 LEU 73 1HD2 LEU 73 -8.472 -10.271 1.311 577 HD23 LEU 73 2HD2 LEU 73 -6.791 -10.412 0.742 578 H ALA 74 H ALA 74 -8.995 -11.557 -2.666 579 HA ALA 74 HA ALA 74 -11.286 -12.461 -4.000 580 HB1 ALA 74 3HB ALA 74 -11.835 -11.945 -1.033 581 HB2 ALA 74 1HB ALA 74 -13.075 -12.148 -2.293 582 HB3 ALA 74 2HB ALA 74 -12.016 -13.510 -1.859 583 H LYS 75 H LYS 75 -12.581 -10.687 -4.576 584 HA LYS 75 HA LYS 75 -13.138 -8.409 -4.992 585 HB2 LYS 75 1HB LYS 75 -13.606 -9.008 -2.447 586 HB3 LYS 75 2HB LYS 75 -12.442 -7.661 -2.240 587 HG2 LYS 75 1HG LYS 75 -13.851 -6.176 -3.483 588 HG3 LYS 75 2HG LYS 75 -14.955 -7.512 -3.918 589 HD2 LYS 75 1HD LYS 75 -15.426 -7.837 -1.404 590 HD3 LYS 75 2HD LYS 75 -14.458 -6.443 -1.058 591 HE2 LYS 75 1HE LYS 75 -16.914 -6.306 -2.838 592 HE3 LYS 75 2HE LYS 75 -16.934 -6.042 -1.115 593 HZ1 LYS 75 3HZ LYS 75 -15.376 -4.514 -3.062 594 HZ2 LYS 75 1HZ LYS 75 -16.800 -4.047 -2.300 595 HZ3 LYS 75 2HZ LYS 75 -15.396 -4.260 -1.400 596 H GLU 76 H GLU 76 -11.171 -8.557 -6.349 597 HA GLU 76 HA GLU 76 -8.666 -7.336 -5.751 598 HB2 GLU 76 1HB GLU 76 -9.309 -8.622 -7.813 599 HB3 GLU 76 2HB GLU 76 -10.230 -7.184 -8.356 600 HG2 GLU 76 1HG GLU 76 -8.139 -7.020 -9.526 601 HG3 GLU 76 2HG GLU 76 -7.932 -5.924 -8.187 602 H MET 77 H MET 77 -8.150 -5.405 -5.161 603 HA MET 77 HA MET 77 -8.350 -3.267 -4.347 604 HB2 MET 77 1HB MET 77 -8.540 -1.529 -5.832 605 HB3 MET 77 2HB MET 77 -7.626 -2.894 -6.557 606 HG2 MET 77 1HG MET 77 -9.671 -3.489 -7.835 607 HG3 MET 77 2HG MET 77 -10.433 -1.992 -7.211 608 HE1 MET 77 3HE MET 77 -8.118 -3.611 -9.808 609 HE2 MET 77 1HE MET 77 -7.069 -2.282 -10.351 610 HE3 MET 77 2HE MET 77 -6.878 -2.955 -8.715 611 H GLY 78 H GLY 78 -10.739 -4.940 -3.841 612 HA2 GLY 78 1HA GLY 78 -13.169 -3.208 -4.087 613 HA3 GLY 78 2HA GLY 78 -13.101 -4.790 -3.368 614 H LEU 79 H LEU 79 -12.300 -1.438 -2.974 615 HA LEU 79 HA LEU 79 -12.945 -1.554 0.008 616 HB2 LEU 79 1HB LEU 79 -10.412 -1.170 -1.089 617 HB3 LEU 79 2HB LEU 79 -11.022 0.449 -0.602 618 HG LEU 79 HG LEU 79 -9.699 -0.602 1.237 619 HD11 LEU 79 1HD1 LEU 79 -11.290 -0.447 3.031 620 HD12 LEU 79 2HD1 LEU 79 -11.559 0.872 1.867 621 HD13 LEU 79 3HD1 LEU 79 -12.649 -0.535 1.884 622 HD21 LEU 79 3HD2 LEU 79 -9.881 -2.869 0.627 623 HD22 LEU 79 1HD2 LEU 79 -10.346 -2.586 2.321 624 HD23 LEU 79 2HD2 LEU 79 -11.599 -2.883 1.091 625 H GLY 80 H GLY 80 -12.494 0.570 -2.836 626 HA2 GLY 80 1HA GLY 80 -13.710 2.422 -3.534 627 HA3 GLY 80 2HA GLY 80 -14.986 1.994 -2.350 628 H GLN 81 H GLN 81 -11.564 2.946 -1.995 629 HA GLN 81 HA GLN 81 -12.169 4.866 0.164 630 HB2 GLN 81 1HB GLN 81 -10.111 3.495 0.077 631 HB3 GLN 81 2HB GLN 81 -9.613 4.382 -1.396 632 HG2 GLN 81 1HG GLN 81 -8.419 5.313 0.435 633 HG3 GLN 81 2HG GLN 81 -9.690 6.491 -0.028 634 HE21 GLN 81 1HE2 GLN 81 -8.245 6.460 2.436 635 HE22 GLN 81 2HE2 GLN 81 -9.432 6.162 3.733 636 H ARG 82 H ARG 82 -12.627 6.931 -0.003 637 HA ARG 82 HA ARG 82 -12.929 8.374 -2.515 638 HB2 ARG 82 1HB ARG 82 -14.121 8.815 -0.319 639 HB3 ARG 82 2HB ARG 82 -12.658 9.663 0.190 640 HG2 ARG 82 1HG ARG 82 -12.856 11.200 -1.796 641 HG3 ARG 82 2HG ARG 82 -14.254 10.347 -2.351 642 HD2 ARG 82 1HD ARG 82 -15.475 10.960 -0.376 643 HD3 ARG 82 2HD ARG 82 -14.018 11.816 0.243 644 HE ARG 82 HE ARG 82 -15.309 12.465 -2.417 645 HH11 ARG 82 1HH1 ARG 82 -14.150 13.694 0.742 646 HH12 ARG 82 2HH1 ARG 82 -14.177 15.383 0.166 647 HH21 ARG 82 1HH2 ARG 82 -15.333 14.603 -3.047 648 HH22 ARG 82 2HH2 ARG 82 -14.828 15.880 -1.908 649 H ARG 83 H ARG 83 -11.822 10.070 -3.347 650 HA ARG 83 HA ARG 83 -8.839 9.937 -2.928 651 HB2 ARG 83 1HB ARG 83 -10.063 8.968 -5.013 652 HB3 ARG 83 2HB ARG 83 -10.338 10.689 -5.460 653 HG2 ARG 83 1HG ARG 83 -7.591 9.559 -5.003 654 HG3 ARG 83 2HG ARG 83 -8.430 9.457 -6.584 655 HD2 ARG 83 1HD ARG 83 -8.702 12.012 -6.301 656 HD3 ARG 83 2HD ARG 83 -7.350 11.829 -5.123 657 HE ARG 83 HE ARG 83 -6.749 10.326 -7.495 658 HH11 ARG 83 1HH1 ARG 83 -6.531 13.693 -6.314 659 HH12 ARG 83 2HH1 ARG 83 -5.497 14.174 -7.687 660 HH21 ARG 83 1HH2 ARG 83 -5.401 10.983 -9.127 661 HH22 ARG 83 2HH2 ARG 83 -4.872 12.684 -9.228 662 H LYS 84 H LYS 84 -7.975 11.703 -2.204 663 HA LYS 84 HA LYS 84 -8.959 14.388 -3.082 664 HB2 LYS 84 1HB LYS 84 -9.921 13.644 -0.704 665 HB3 LYS 84 2HB LYS 84 -8.289 13.880 -0.128 666 HG2 LYS 84 1HG LYS 84 -8.397 16.243 -1.079 667 HG3 LYS 84 2HG LYS 84 -10.116 15.960 -1.355 668 HD2 LYS 84 1HD LYS 84 -10.285 15.339 1.161 669 HD3 LYS 84 2HD LYS 84 -8.665 15.943 1.341 670 HE2 LYS 84 1HE LYS 84 -11.044 17.591 0.372 671 HE3 LYS 84 2HE LYS 84 -10.291 17.685 1.927 672 HZ1 LYS 84 3HZ LYS 84 -9.030 18.329 -0.622 673 HZ2 LYS 84 1HZ LYS 84 -9.622 19.395 0.536 674 HZ3 LYS 84 2HZ LYS 84 -8.297 18.419 0.889 675 H ALA 85 H ALA 85 -7.309 15.821 -3.364 676 HA ALA 85 HA ALA 85 -4.481 14.830 -2.938 677 HB1 ALA 85 3HB ALA 85 -5.570 17.129 -4.580 678 HB2 ALA 85 1HB ALA 85 -3.873 16.599 -4.496 679 HB3 ALA 85 2HB ALA 85 -5.107 15.524 -5.196 680 H ASN 86 H ASN 86 -3.185 15.578 -1.565 681 HA ASN 86 HA ASN 86 -3.687 18.202 -0.108 682 HB2 ASN 86 1HB ASN 86 -2.894 17.099 1.960 683 HB3 ASN 86 2HB ASN 86 -4.230 16.179 1.342 684 HD21 ASN 86 1HD2 ASN 86 -2.100 15.390 3.138 685 HD22 ASN 86 2HD2 ASN 86 -1.143 14.127 2.319 686 H ARG 87 H ARG 87 -1.711 18.900 1.081 687 HA ARG 87 HA ARG 87 0.667 19.295 -0.542 688 HB2 ARG 87 1HB ARG 87 -0.056 20.727 1.268 689 HB3 ARG 87 2HB ARG 87 0.187 19.389 2.439 690 HG2 ARG 87 1HG ARG 87 2.604 19.434 1.950 691 HG3 ARG 87 2HG ARG 87 2.347 20.791 0.832 692 HD2 ARG 87 1HD ARG 87 1.626 22.240 2.601 693 HD3 ARG 87 2HD ARG 87 1.448 20.887 3.737 694 HE ARG 87 HE ARG 87 4.146 20.912 2.834 695 HH11 ARG 87 1HH1 ARG 87 2.094 23.269 4.567 696 HH12 ARG 87 2HH1 ARG 87 3.433 23.759 5.641 697 HH21 ARG 87 1HH2 ARG 87 5.797 21.639 4.165 698 HH22 ARG 87 2HH2 ARG 87 5.466 22.867 5.416 Start of MODEL 19 1 H1 ALA 1 1H ALA 1 10.076 18.186 8.570 2 HA ALA 1 HA ALA 1 8.960 19.303 6.219 3 HB1 ALA 1 3HB ALA 1 11.966 19.587 6.384 4 HB2 ALA 1 1HB ALA 1 10.985 19.802 4.914 5 HB3 ALA 1 2HB ALA 1 10.765 20.899 6.300 6 H VAL 2 H VAL 2 8.980 18.027 4.403 7 HA VAL 2 HA VAL 2 9.547 15.114 4.931 8 HB VAL 2 HB VAL 2 8.220 14.686 2.954 9 HG11 VAL 2 1HG1 VAL 2 6.115 15.152 4.140 10 HG12 VAL 2 2HG1 VAL 2 7.357 14.559 5.269 11 HG13 VAL 2 3HG1 VAL 2 6.960 16.293 5.212 12 HG21 VAL 2 3HG2 VAL 2 8.382 16.754 1.742 13 HG22 VAL 2 1HG2 VAL 2 6.695 16.343 2.128 14 HG23 VAL 2 2HG2 VAL 2 7.536 17.609 3.054 15 H ASN 3 H ASN 3 11.830 15.529 4.930 16 HA ASN 3 HA ASN 3 13.155 14.834 2.396 17 HB2 ASN 3 1HB ASN 3 14.533 16.749 2.129 18 HB3 ASN 3 2HB ASN 3 12.801 17.198 1.977 19 HD21 ASN 3 1HD2 ASN 3 14.951 19.016 2.344 20 HD22 ASN 3 2HD2 ASN 3 14.750 19.783 3.943 21 H VAL 4 H VAL 4 15.499 14.859 2.660 22 HA VAL 4 HA VAL 4 17.376 13.927 3.551 23 HB VAL 4 HB VAL 4 18.306 14.434 5.625 24 HG11 VAL 4 1HG1 VAL 4 18.556 16.814 5.080 25 HG12 VAL 4 2HG1 VAL 4 18.588 15.825 3.600 26 HG13 VAL 4 3HG1 VAL 4 17.122 16.739 4.029 27 HG21 VAL 4 3HG2 VAL 4 16.534 14.578 7.134 28 HG22 VAL 4 1HG2 VAL 4 17.476 16.085 7.066 29 HG23 VAL 4 2HG2 VAL 4 15.879 15.999 6.285 30 H GLU 5 H GLU 5 14.897 13.479 6.034 31 HA GLU 5 HA GLU 5 15.546 10.533 6.295 32 HB2 GLU 5 1HB GLU 5 14.838 10.750 8.608 33 HB3 GLU 5 2HB GLU 5 16.311 11.685 8.192 34 HG2 GLU 5 1HG GLU 5 14.729 13.754 8.036 35 HG3 GLU 5 2HG GLU 5 13.523 12.777 8.818 36 H LYS 6 H LYS 6 14.075 10.791 4.327 37 HA LYS 6 HA LYS 6 11.436 9.754 4.948 38 HB2 LYS 6 1HB LYS 6 11.423 12.538 4.832 39 HB3 LYS 6 2HB LYS 6 10.538 11.862 3.430 40 HG2 LYS 6 1HG LYS 6 9.616 10.153 5.318 41 HG3 LYS 6 2HG LYS 6 9.987 11.491 6.395 42 HD2 LYS 6 1HD LYS 6 8.538 12.988 5.059 43 HD3 LYS 6 2HD LYS 6 8.187 11.668 3.945 44 HE2 LYS 6 1HE LYS 6 7.282 10.351 5.928 45 HE3 LYS 6 2HE LYS 6 7.457 11.818 6.895 46 HZ1 LYS 6 3HZ LYS 6 5.865 11.556 4.433 47 HZ2 LYS 6 1HZ LYS 6 5.275 11.600 6.006 48 HZ3 LYS 6 2HZ LYS 6 6.031 12.953 5.355 49 H GLN 7 H GLN 7 12.594 11.803 2.190 50 HA GLN 7 HA GLN 7 11.497 10.372 0.089 51 HB2 GLN 7 1HB GLN 7 13.102 11.336 -1.351 52 HB3 GLN 7 2HB GLN 7 12.510 12.494 -0.111 53 HG2 GLN 7 1HG GLN 7 14.855 12.967 -0.289 54 HG3 GLN 7 2HG GLN 7 14.764 11.969 1.128 55 HE21 GLN 7 1HE2 GLN 7 16.780 11.156 1.094 56 HE22 GLN 7 2HE2 GLN 7 17.408 10.141 -0.232 57 H LYS 8 H LYS 8 14.238 9.320 1.896 58 HA LYS 8 HA LYS 8 15.546 7.332 0.310 59 HB2 LYS 8 1HB LYS 8 16.133 6.359 2.438 60 HB3 LYS 8 2HB LYS 8 16.351 8.139 2.415 61 HG2 LYS 8 1HG LYS 8 14.207 8.361 3.729 62 HG3 LYS 8 2HG LYS 8 14.089 6.618 3.813 63 HD2 LYS 8 1HD LYS 8 16.251 6.525 5.017 64 HD3 LYS 8 2HD LYS 8 16.356 8.288 4.942 65 HE2 LYS 8 1HE LYS 8 14.214 8.467 6.216 66 HE3 LYS 8 2HE LYS 8 14.102 6.716 6.286 67 HZ1 LYS 8 3HZ LYS 8 16.268 8.348 7.415 68 HZ2 LYS 8 1HZ LYS 8 15.009 7.618 8.260 69 HZ3 LYS 8 2HZ LYS 8 16.161 6.671 7.483 70 HA PRO 9 HA PRO 9 12.528 4.108 -0.344 71 HB2 PRO 9 1HB PRO 9 14.229 2.161 -1.142 72 HB3 PRO 9 2HB PRO 9 13.809 3.511 -2.194 73 HG2 PRO 9 1HG PRO 9 16.292 3.177 -0.443 74 HG3 PRO 9 2HG PRO 9 16.209 3.693 -2.125 75 HD2 PRO 9 1HD PRO 9 16.322 5.558 -0.033 76 HD3 PRO 9 2HD PRO 9 15.307 5.901 -1.514 77 H ALA 10 H ALA 10 11.771 2.335 0.533 78 HA ALA 10 HA ALA 10 12.588 1.701 3.328 79 HB1 ALA 10 3HB ALA 10 10.363 0.704 1.520 80 HB2 ALA 10 1HB ALA 10 10.513 0.392 3.265 81 HB3 ALA 10 2HB ALA 10 10.250 2.051 2.676 82 H VAL 11 H VAL 11 14.697 1.058 2.090 83 HA VAL 11 HA VAL 11 16.189 -0.513 1.100 84 HB VAL 11 HB VAL 11 16.468 -2.582 2.147 85 HG11 VAL 11 1HG1 VAL 11 17.053 -1.601 4.315 86 HG12 VAL 11 2HG1 VAL 11 17.471 -0.487 2.991 87 HG13 VAL 11 3HG1 VAL 11 16.018 -0.194 3.975 88 HG21 VAL 11 3HG2 VAL 11 14.314 -3.350 2.631 89 HG22 VAL 11 1HG2 VAL 11 15.327 -3.244 4.090 90 HG23 VAL 11 2HG2 VAL 11 14.064 -2.025 3.793 91 H SER 12 H SER 12 16.020 -3.202 0.536 92 HA SER 12 HA SER 12 14.277 -3.290 -1.865 93 HB2 SER 12 1HB SER 12 16.533 -4.326 -1.963 94 HB3 SER 12 2HB SER 12 16.119 -5.396 -0.617 95 HG SER 12 HG SER 12 14.358 -5.366 -2.880 96 H VAL 13 H VAL 13 12.360 -4.098 -1.953 97 HA VAL 13 HA VAL 13 10.385 -4.744 -0.427 98 HB VAL 13 HB VAL 13 10.104 -4.967 -2.619 99 HG11 VAL 13 1HG1 VAL 13 10.728 -6.941 -3.942 100 HG12 VAL 13 2HG1 VAL 13 12.171 -6.089 -3.342 101 HG13 VAL 13 3HG1 VAL 13 11.635 -7.593 -2.557 102 HG21 VAL 13 3HG2 VAL 13 8.426 -5.891 -1.277 103 HG22 VAL 13 1HG2 VAL 13 8.621 -6.846 -2.766 104 HG23 VAL 13 2HG2 VAL 13 9.260 -7.462 -1.223 105 H ARG 14 H ARG 14 11.790 -7.897 -1.134 106 HA ARG 14 HA ARG 14 11.831 -9.824 0.173 107 HB2 ARG 14 1HB ARG 14 13.994 -9.123 -0.083 108 HB3 ARG 14 2HB ARG 14 13.885 -8.013 1.321 109 HG2 ARG 14 1HG ARG 14 13.936 -9.844 2.878 110 HG3 ARG 14 2HG ARG 14 13.564 -11.027 1.653 111 HD2 ARG 14 1HD ARG 14 16.127 -9.423 1.523 112 HD3 ARG 14 2HD ARG 14 15.980 -10.889 2.486 113 HE ARG 14 HE ARG 14 16.315 -10.709 -0.346 114 HH11 ARG 14 1HH1 ARG 14 14.658 -12.755 2.090 115 HH12 ARG 14 2HH1 ARG 14 14.592 -14.145 0.973 116 HH21 ARG 14 1HH2 ARG 14 16.213 -12.524 -1.666 117 HH22 ARG 14 2HH2 ARG 14 15.440 -14.018 -1.072 118 H LYS 15 H LYS 15 12.560 -7.823 2.966 119 HA LYS 15 HA LYS 15 10.346 -9.086 4.622 120 HB2 LYS 15 1HB LYS 15 11.715 -8.405 6.529 121 HB3 LYS 15 2HB LYS 15 12.603 -9.444 5.461 122 HG2 LYS 15 1HG LYS 15 14.002 -7.674 4.701 123 HG3 LYS 15 2HG LYS 15 12.897 -6.433 5.205 124 HD2 LYS 15 1HD LYS 15 14.663 -6.422 6.810 125 HD3 LYS 15 2HD LYS 15 13.364 -7.197 7.644 126 HE2 LYS 15 1HE LYS 15 14.328 -9.393 7.142 127 HE3 LYS 15 2HE LYS 15 15.672 -8.582 6.305 128 HZ1 LYS 15 3HZ LYS 15 14.881 -8.157 9.120 129 HZ2 LYS 15 1HZ LYS 15 16.204 -9.052 8.592 130 HZ3 LYS 15 2HZ LYS 15 16.152 -7.392 8.328 131 H SER 16 H SER 16 9.529 -7.063 2.743 132 HA SER 16 HA SER 16 8.992 -4.477 3.850 133 HB2 SER 16 1HB SER 16 6.956 -6.204 2.387 134 HB3 SER 16 2HB SER 16 6.967 -4.459 2.519 135 HG SER 16 HG SER 16 8.510 -4.265 1.042 136 H VAL 17 H VAL 17 7.432 -7.546 4.529 137 HA VAL 17 HA VAL 17 5.883 -6.552 6.820 138 HB VAL 17 HB VAL 17 6.302 -9.094 5.329 139 HG11 VAL 17 1HG1 VAL 17 5.097 -10.482 6.942 140 HG12 VAL 17 2HG1 VAL 17 6.667 -9.953 7.595 141 HG13 VAL 17 3HG1 VAL 17 5.166 -9.168 8.141 142 HG21 VAL 17 3HG2 VAL 17 4.417 -7.562 4.870 143 HG22 VAL 17 1HG2 VAL 17 3.811 -9.108 5.508 144 HG23 VAL 17 2HG2 VAL 17 3.894 -7.679 6.566 145 H GLN 18 H GLN 18 6.942 -5.947 8.597 146 HA GLN 18 HA GLN 18 9.156 -7.752 9.663 147 HB2 GLN 18 1HB GLN 18 8.790 -4.762 10.074 148 HB3 GLN 18 2HB GLN 18 9.956 -5.744 10.909 149 HG2 GLN 18 1HG GLN 18 10.924 -6.392 8.658 150 HG3 GLN 18 2HG GLN 18 9.843 -5.211 7.932 151 HE21 GLN 18 1HE2 GLN 18 10.902 -3.435 7.429 152 HE22 GLN 18 2HE2 GLN 18 12.247 -2.736 8.369 153 H ASP 19 H ASP 19 9.187 -6.847 12.263 154 HA ASP 19 HA ASP 19 7.119 -8.357 13.639 155 HB2 ASP 19 1HB ASP 19 9.170 -6.387 14.516 156 HB3 ASP 19 2HB ASP 19 7.936 -7.064 15.629 157 H ASP 20 H ASP 20 5.195 -7.832 12.904 158 HA ASP 20 HA ASP 20 3.186 -6.626 12.520 159 HB2 ASP 20 1HB ASP 20 3.006 -7.286 14.862 160 HB3 ASP 20 2HB ASP 20 3.601 -5.706 15.333 161 H HIS 21 H HIS 21 5.225 -5.365 11.196 162 HA HIS 21 HA HIS 21 4.158 -2.577 11.071 163 HB2 HIS 21 1HB HIS 21 5.987 -1.373 11.558 164 HB3 HIS 21 2HB HIS 21 5.760 -2.531 12.924 165 HD2 HIS 21 HD2 HIS 21 8.147 -1.810 9.985 166 HE1 HIS 21 HE1 HIS 21 10.363 -3.330 13.240 167 HE2 HIS 21 HE2 HIS 21 10.497 -2.094 10.982 168 H ILE 22 H ILE 22 4.318 -1.660 9.237 169 HA ILE 22 HA ILE 22 5.752 -3.091 6.992 170 HB ILE 22 HB ILE 22 3.250 -3.197 7.078 171 HG12 ILE 22 1HG1 ILE 22 4.369 -4.029 5.326 172 HG13 ILE 22 2HG1 ILE 22 2.978 -3.042 4.736 173 HG21 ILE 22 1HG2 ILE 22 2.008 -1.377 6.011 174 HG22 ILE 22 2HG2 ILE 22 2.673 -0.867 7.582 175 HG23 ILE 22 3HG2 ILE 22 3.454 -0.341 6.071 176 HD11 ILE 22 3HD1 ILE 22 5.904 -2.292 4.573 177 HD12 ILE 22 1HD1 ILE 22 4.888 -2.893 3.241 178 HD13 ILE 22 2HD1 ILE 22 4.532 -1.319 3.991 179 H VAL 23 H VAL 23 7.383 -2.117 6.278 180 HA VAL 23 HA VAL 23 8.187 0.642 6.903 181 HB VAL 23 HB VAL 23 9.640 -1.281 6.886 182 HG11 VAL 23 1HG1 VAL 23 10.611 -2.115 4.796 183 HG12 VAL 23 2HG1 VAL 23 8.883 -2.523 4.907 184 HG13 VAL 23 3HG1 VAL 23 9.416 -1.189 3.859 185 HG21 VAL 23 3HG2 VAL 23 10.520 0.845 6.968 186 HG22 VAL 23 1HG2 VAL 23 11.526 -0.191 5.928 187 HG23 VAL 23 2HG2 VAL 23 10.443 1.016 5.198 188 H CYS 24 H CYS 24 7.532 2.431 5.968 189 HA CYS 24 HA CYS 24 5.887 2.388 3.589 190 HB2 CYS 24 1HB CYS 24 5.539 4.001 5.418 191 HB3 CYS 24 2HB CYS 24 7.071 4.789 4.996 192 H LEU 25 H LEU 25 6.623 2.139 1.657 193 HA LEU 25 HA LEU 25 9.304 2.650 0.701 194 HB2 LEU 25 1HB LEU 25 6.628 2.212 -0.580 195 HB3 LEU 25 2HB LEU 25 8.119 2.525 -1.538 196 HG LEU 25 HG LEU 25 9.121 0.506 -0.638 197 HD11 LEU 25 1HD1 LEU 25 7.834 -1.204 0.541 198 HD12 LEU 25 2HD1 LEU 25 8.011 0.263 1.532 199 HD13 LEU 25 3HD1 LEU 25 6.469 -0.075 0.711 200 HD21 LEU 25 3HD2 LEU 25 7.740 0.424 -2.715 201 HD22 LEU 25 1HD2 LEU 25 7.581 -1.099 -1.807 202 HD23 LEU 25 2HD2 LEU 25 6.285 0.119 -1.736 203 H GLU 26 H GLU 26 10.156 4.309 -0.381 204 HA GLU 26 HA GLU 26 10.748 6.498 -0.734 205 HB2 GLU 26 1HB GLU 26 8.552 6.262 -2.216 206 HB3 GLU 26 2HB GLU 26 7.891 7.403 -1.085 207 HG2 GLU 26 1HG GLU 26 9.646 9.002 -1.578 208 HG3 GLU 26 2HG GLU 26 10.454 7.829 -2.631 209 H CYS 27 H CYS 27 9.512 5.610 2.075 210 HA CYS 27 HA CYS 27 9.760 8.378 3.192 211 HB2 CYS 27 1HB CYS 27 7.559 6.430 3.656 212 HB3 CYS 27 2HB CYS 27 8.133 7.391 5.033 213 H GLY 28 H GLY 28 9.652 4.830 4.065 214 HA2 GLY 28 1HA GLY 28 11.630 3.684 5.049 215 HA3 GLY 28 2HA GLY 28 12.184 5.208 5.709 216 H GLY 29 H GLY 29 9.945 6.235 6.895 217 HA2 GLY 29 1HA GLY 29 9.630 4.887 9.439 218 HA3 GLY 29 2HA GLY 29 8.528 6.081 8.816 219 H SER 30 H SER 30 7.989 3.814 10.414 220 HA SER 30 HA SER 30 6.133 2.184 8.588 221 HB2 SER 30 1HB SER 30 7.887 0.736 9.184 222 HB3 SER 30 2HB SER 30 7.866 1.273 10.869 223 HG SER 30 HG SER 30 5.362 0.561 10.462 224 H PHE 31 H PHE 31 4.226 1.643 9.172 225 HA PHE 31 HA PHE 31 3.101 2.512 11.783 226 HB2 PHE 31 1HB PHE 31 1.229 3.817 10.486 227 HB3 PHE 31 2HB PHE 31 2.768 4.600 10.680 228 HD1 PHE 31 HD1 PHE 31 1.455 2.050 8.192 229 HD2 PHE 31 HD2 PHE 31 3.343 5.831 8.925 230 HE1 PHE 31 HE1 PHE 31 2.469 1.978 5.939 231 HE2 PHE 31 HE2 PHE 31 4.246 5.820 6.622 232 HZ PHE 31 HZ PHE 31 3.735 3.931 5.099 233 H LYS 32 H LYS 32 3.343 -0.051 10.233 234 HA LYS 32 HA LYS 32 2.210 -2.017 9.939 235 HB2 LYS 32 1HB LYS 32 -0.087 -0.947 11.516 236 HB3 LYS 32 2HB LYS 32 0.342 -2.653 11.162 237 HG2 LYS 32 1HG LYS 32 1.321 -2.614 13.219 238 HG3 LYS 32 2HG LYS 32 2.617 -1.718 12.442 239 HD2 LYS 32 1HD LYS 32 2.024 -0.399 14.316 240 HD3 LYS 32 2HD LYS 32 1.226 0.415 12.979 241 HE2 LYS 32 1HE LYS 32 -0.842 -1.063 13.589 242 HE3 LYS 32 2HE LYS 32 -0.003 -1.335 15.117 243 HZ1 LYS 32 3HZ LYS 32 -0.677 1.285 13.962 244 HZ2 LYS 32 1HZ LYS 32 -1.467 0.515 15.232 245 HZ3 LYS 32 2HZ LYS 32 0.124 1.027 15.418 246 H SER 33 H SER 33 -0.218 0.607 9.485 247 HA SER 33 HA SER 33 -1.393 -0.979 7.194 248 HB2 SER 33 1HB SER 33 -3.018 -0.383 8.932 249 HB3 SER 33 2HB SER 33 -2.592 1.324 8.775 250 HG SER 33 HG SER 33 -3.771 1.511 7.001 251 H LEU 34 H LEU 34 0.051 -0.508 5.611 252 HA LEU 34 HA LEU 34 1.075 2.172 4.989 253 HB2 LEU 34 1HB LEU 34 2.010 -0.124 4.280 254 HB3 LEU 34 2HB LEU 34 0.940 0.084 2.899 255 HG LEU 34 HG LEU 34 2.354 2.564 3.495 256 HD11 LEU 34 1HD1 LEU 34 4.593 1.751 2.856 257 HD12 LEU 34 2HD1 LEU 34 4.062 1.015 4.387 258 HD13 LEU 34 3HD1 LEU 34 3.996 0.075 2.878 259 HD21 LEU 34 3HD2 LEU 34 1.244 2.036 1.355 260 HD22 LEU 34 1HD2 LEU 34 2.981 2.352 1.131 261 HD23 LEU 34 2HD2 LEU 34 2.371 0.680 1.110 262 H LYS 35 H LYS 35 -1.719 0.310 3.843 263 HA LYS 35 HA LYS 35 -2.676 1.670 1.666 264 HB2 LYS 35 1HB LYS 35 -3.659 -0.285 2.617 265 HB3 LYS 35 2HB LYS 35 -4.323 0.686 3.969 266 HG2 LYS 35 1HG LYS 35 -5.086 1.625 1.237 267 HG3 LYS 35 2HG LYS 35 -5.742 0.066 1.694 268 HD2 LYS 35 1HD LYS 35 -6.819 0.999 3.649 269 HD3 LYS 35 2HD LYS 35 -5.969 2.528 3.468 270 HE2 LYS 35 1HE LYS 35 -7.158 3.008 1.387 271 HE3 LYS 35 2HE LYS 35 -7.904 1.412 1.395 272 HZ1 LYS 35 3HZ LYS 35 -8.277 3.498 3.434 273 HZ2 LYS 35 1HZ LYS 35 -9.364 3.071 2.223 274 HZ3 LYS 35 2HZ LYS 35 -8.989 1.974 3.442 275 H ARG 36 H ARG 36 -3.615 2.729 5.013 276 HA ARG 36 HA ARG 36 -5.006 5.160 4.247 277 HB2 ARG 36 1HB ARG 36 -3.872 4.193 6.772 278 HB3 ARG 36 2HB ARG 36 -4.330 5.894 6.584 279 HG2 ARG 36 1HG ARG 36 -6.562 5.303 5.919 280 HG3 ARG 36 2HG ARG 36 -6.125 3.568 5.825 281 HD2 ARG 36 1HD ARG 36 -7.398 3.876 7.801 282 HD3 ARG 36 2HD ARG 36 -5.689 3.654 8.297 283 HE ARG 36 HE ARG 36 -6.067 6.415 8.165 284 HH11 ARG 36 1HH1 ARG 36 -7.825 3.810 9.875 285 HH12 ARG 36 2HH1 ARG 36 -8.092 4.826 11.317 286 HH21 ARG 36 1HH2 ARG 36 -6.539 7.666 10.016 287 HH22 ARG 36 2HH2 ARG 36 -7.395 6.921 11.393 288 H HIS 37 H HIS 37 -1.759 5.103 5.705 289 HA HIS 37 HA HIS 37 -0.892 7.674 5.191 290 HB2 HIS 37 1HB HIS 37 0.336 6.232 6.563 291 HB3 HIS 37 2HB HIS 37 0.678 5.126 5.196 292 HD1 HIS 37 HD1 HIS 37 1.696 8.429 6.731 293 HD2 HIS 37 HD2 HIS 37 2.731 5.948 3.474 294 HE1 HIS 37 HE1 HIS 37 3.910 9.321 5.785 295 H LEU 38 H LEU 38 -0.646 4.834 3.045 296 HA LEU 38 HA LEU 38 0.704 5.944 0.815 297 HB2 LEU 38 1HB LEU 38 0.050 3.566 1.408 298 HB3 LEU 38 2HB LEU 38 -1.463 3.942 0.509 299 HG LEU 38 HG LEU 38 0.483 2.743 -0.764 300 HD11 LEU 38 1HD1 LEU 38 -0.026 3.911 -2.815 301 HD12 LEU 38 2HD1 LEU 38 -1.509 3.665 -1.864 302 HD13 LEU 38 3HD1 LEU 38 -0.733 5.266 -1.904 303 HD21 LEU 38 3HD2 LEU 38 2.294 4.061 0.056 304 HD22 LEU 38 1HD2 LEU 38 2.151 4.150 -1.715 305 HD23 LEU 38 2HD2 LEU 38 1.610 5.514 -0.709 306 H THR 39 H THR 39 -2.827 5.359 0.889 307 HA THR 39 HA THR 39 -3.609 7.080 -1.295 308 HB THR 39 HB THR 39 -5.425 6.514 1.016 309 HG1 THR 39 HG1 THR 39 -5.805 4.455 -0.242 310 HG21 THR 39 3HG2 THR 39 -5.740 6.536 -2.003 311 HG22 THR 39 1HG2 THR 39 -7.023 6.247 -0.802 312 HG23 THR 39 2HG2 THR 39 -6.237 7.841 -0.898 313 H THR 40 H THR 40 -3.171 7.914 2.152 314 HA THR 40 HA THR 40 -4.119 10.699 2.012 315 HB THR 40 HB THR 40 -2.234 9.429 4.004 316 HG1 THR 40 HG1 THR 40 -4.987 10.019 4.407 317 HG21 THR 40 3HG2 THR 40 -3.885 11.942 4.142 318 HG22 THR 40 1HG2 THR 40 -2.912 11.202 5.436 319 HG23 THR 40 2HG2 THR 40 -2.113 11.872 3.995 320 H HIS 41 H HIS 41 -0.731 9.540 2.173 321 HA HIS 41 HA HIS 41 0.207 12.262 1.496 322 HB2 HIS 41 1HB HIS 41 1.541 9.833 2.642 323 HB3 HIS 41 2HB HIS 41 2.512 11.080 1.929 324 HD2 HIS 41 HD2 HIS 41 3.435 11.417 4.396 325 HE1 HIS 41 HE1 HIS 41 0.059 13.411 5.956 326 HE2 HIS 41 HE2 HIS 41 2.524 12.788 6.375 327 H HIS 42 H HIS 42 1.761 9.279 0.403 328 HA HIS 42 HA HIS 42 2.465 10.067 -2.212 329 HB2 HIS 42 1HB HIS 42 1.804 7.241 -1.612 330 HB3 HIS 42 2HB HIS 42 3.139 7.960 -2.564 331 HD1 HIS 42 HD1 HIS 42 5.318 8.502 -1.378 332 HD2 HIS 42 HD2 HIS 42 2.217 7.272 1.214 333 HE1 HIS 42 HE1 HIS 42 6.378 8.121 0.932 334 H SER 43 H SER 43 -0.716 9.299 -0.927 335 HA SER 43 HA SER 43 -2.824 9.198 -1.918 336 HB2 SER 43 1HB SER 43 -1.596 10.285 -4.455 337 HB3 SER 43 2HB SER 43 -3.300 10.234 -4.030 338 HG SER 43 HG SER 43 -1.267 11.988 -3.217 339 H MET 44 H MET 44 -3.887 8.278 -4.191 340 HA MET 44 HA MET 44 -4.204 6.529 -5.673 341 HB2 MET 44 1HB MET 44 -1.303 5.821 -5.296 342 HB3 MET 44 2HB MET 44 -2.422 5.181 -6.543 343 HG2 MET 44 1HG MET 44 -2.555 7.416 -7.590 344 HG3 MET 44 2HG MET 44 -1.587 8.120 -6.327 345 HE1 MET 44 3HE MET 44 0.719 5.980 -5.834 346 HE2 MET 44 1HE MET 44 1.945 6.561 -6.985 347 HE3 MET 44 2HE MET 44 1.006 7.726 -6.020 348 H THR 45 H THR 45 -4.335 4.235 -5.951 349 HA THR 45 HA THR 45 -5.162 2.804 -3.499 350 HB THR 45 HB THR 45 -5.685 0.950 -5.027 351 HG1 THR 45 HG1 THR 45 -4.914 2.622 -7.204 352 HG21 THR 45 3HG2 THR 45 -6.670 3.650 -5.977 353 HG22 THR 45 1HG2 THR 45 -7.435 2.068 -6.266 354 HG23 THR 45 2HG2 THR 45 -7.339 2.722 -4.613 355 HA PRO 46 HA PRO 46 -1.522 0.843 -2.145 356 HB2 PRO 46 1HB PRO 46 -2.415 -1.583 -1.429 357 HB3 PRO 46 2HB PRO 46 -2.555 -0.036 -0.463 358 HG2 PRO 46 1HG PRO 46 -4.682 -1.398 -2.243 359 HG3 PRO 46 2HG PRO 46 -4.925 -0.724 -0.633 360 HD2 PRO 46 1HD PRO 46 -5.448 0.812 -2.907 361 HD3 PRO 46 2HD PRO 46 -4.643 1.602 -1.463 362 H GLU 47 H GLU 47 -3.508 -1.486 -4.093 363 HA GLU 47 HA GLU 47 -1.276 -2.995 -5.078 364 HB2 GLU 47 1HB GLU 47 -4.099 -2.801 -5.985 365 HB3 GLU 47 2HB GLU 47 -2.929 -3.511 -7.056 366 HG2 GLU 47 1HG GLU 47 -3.890 -5.216 -5.774 367 HG3 GLU 47 2HG GLU 47 -2.203 -5.007 -5.200 368 H GLU 48 H GLU 48 -2.740 0.000 -6.442 369 HA GLU 48 HA GLU 48 -1.196 0.048 -8.910 370 HB2 GLU 48 1HB GLU 48 -3.198 1.596 -8.054 371 HB3 GLU 48 2HB GLU 48 -1.903 2.600 -7.462 372 HG2 GLU 48 1HG GLU 48 -1.643 3.443 -9.474 373 HG3 GLU 48 2HG GLU 48 -1.209 1.840 -10.113 374 H TYR 49 H TYR 49 -0.523 1.281 -5.637 375 HA TYR 49 HA TYR 49 2.014 2.504 -6.172 376 HB2 TYR 49 1HB TYR 49 0.574 2.763 -4.111 377 HB3 TYR 49 2HB TYR 49 1.200 1.215 -3.556 378 HD1 TYR 49 HD1 TYR 49 2.245 4.613 -4.682 379 HD2 TYR 49 HD2 TYR 49 3.312 1.056 -2.526 380 HE1 TYR 49 HE1 TYR 49 4.164 5.811 -3.670 381 HE2 TYR 49 HE2 TYR 49 5.201 2.267 -1.475 382 HH TYR 49 HH TYR 49 6.597 4.845 -2.723 383 H ARG 50 H ARG 50 1.222 -0.930 -5.484 384 HA ARG 50 HA ARG 50 3.914 -1.940 -5.172 385 HB2 ARG 50 1HB ARG 50 3.232 -3.927 -5.271 386 HB3 ARG 50 2HB ARG 50 1.670 -3.088 -4.916 387 HG2 ARG 50 1HG ARG 50 1.099 -4.831 -6.421 388 HG3 ARG 50 2HG ARG 50 1.170 -3.428 -7.442 389 HD2 ARG 50 1HD ARG 50 3.395 -4.078 -8.261 390 HD3 ARG 50 2HD ARG 50 3.450 -5.422 -7.149 391 HE ARG 50 HE ARG 50 2.151 -6.644 -8.535 392 HH11 ARG 50 1HH1 ARG 50 1.878 -3.254 -9.657 393 HH12 ARG 50 2HH1 ARG 50 0.867 -3.734 -11.047 394 HH21 ARG 50 1HH2 ARG 50 0.958 -7.153 -10.352 395 HH22 ARG 50 2HH2 ARG 50 0.368 -5.857 -11.427 396 H GLU 51 H GLU 51 2.054 -1.118 -8.100 397 HA GLU 51 HA GLU 51 3.945 -2.115 -10.093 398 HB2 GLU 51 1HB GLU 51 1.469 -1.493 -10.368 399 HB3 GLU 51 2HB GLU 51 2.043 0.152 -10.566 400 HG2 GLU 51 1HG GLU 51 3.306 -0.395 -12.502 401 HG3 GLU 51 2HG GLU 51 3.235 -2.128 -12.169 402 H LYS 52 H LYS 52 3.589 1.072 -8.517 403 HA LYS 52 HA LYS 52 5.625 2.573 -9.873 404 HB2 LYS 52 1HB LYS 52 4.156 3.664 -8.476 405 HB3 LYS 52 2HB LYS 52 4.580 2.620 -7.076 406 HG2 LYS 52 1HG LYS 52 5.538 4.950 -6.862 407 HG3 LYS 52 2HG LYS 52 6.788 3.753 -6.902 408 HD2 LYS 52 1HD LYS 52 6.978 4.229 -9.412 409 HD3 LYS 52 2HD LYS 52 5.970 5.645 -9.084 410 HE2 LYS 52 1HE LYS 52 7.580 6.532 -7.516 411 HE3 LYS 52 2HE LYS 52 8.508 5.028 -7.517 412 HZ1 LYS 52 3HZ LYS 52 8.118 6.816 -9.825 413 HZ2 LYS 52 1HZ LYS 52 9.508 6.684 -8.888 414 HZ3 LYS 52 2HZ LYS 52 9.001 5.384 -9.826 415 H TRP 53 H TRP 53 5.957 0.413 -7.052 416 HA TRP 53 HA TRP 53 8.932 0.615 -7.247 417 HB2 TRP 53 1HB TRP 53 7.024 -0.546 -5.158 418 HB3 TRP 53 2HB TRP 53 8.763 -0.698 -5.034 419 HD1 TRP 53 HD1 TRP 53 5.986 1.921 -4.866 420 HE1 TRP 53 HE1 TRP 53 6.902 4.029 -3.742 421 HE3 TRP 53 HE3 TRP 53 10.813 0.494 -4.602 422 HZ2 TRP 53 HZ2 TRP 53 9.446 4.968 -2.967 423 HZ3 TRP 53 HZ3 TRP 53 12.482 1.984 -3.529 424 HH2 TRP 53 HH2 TRP 53 11.800 4.229 -2.721 425 H ASP 54 H ASP 54 6.970 -1.075 -9.011 426 HA ASP 54 HA ASP 54 6.888 -3.232 -10.063 427 HB2 ASP 54 1HB ASP 54 9.867 -3.352 -9.557 428 HB3 ASP 54 2HB ASP 54 8.966 -4.016 -10.875 429 H LEU 55 H LEU 55 6.228 -3.252 -7.259 430 HA LEU 55 HA LEU 55 7.819 -5.061 -5.722 431 HB2 LEU 55 1HB LEU 55 5.768 -3.250 -5.211 432 HB3 LEU 55 2HB LEU 55 5.095 -4.776 -4.722 433 HG LEU 55 HG LEU 55 7.136 -5.193 -3.309 434 HD11 LEU 55 1HD1 LEU 55 8.633 -3.358 -2.844 435 HD12 LEU 55 2HD1 LEU 55 8.750 -3.820 -4.558 436 HD13 LEU 55 3HD1 LEU 55 7.850 -2.359 -4.089 437 HD21 LEU 55 3HD2 LEU 55 5.069 -4.241 -2.423 438 HD22 LEU 55 1HD2 LEU 55 6.513 -3.564 -1.633 439 HD23 LEU 55 2HD2 LEU 55 5.636 -2.610 -2.853 440 HA PRO 56 HA PRO 56 6.615 -9.000 -7.550 441 HB2 PRO 56 1HB PRO 56 7.926 -10.588 -5.813 442 HB3 PRO 56 2HB PRO 56 8.757 -9.709 -7.095 443 HG2 PRO 56 1HG PRO 56 8.453 -8.925 -4.156 444 HG3 PRO 56 2HG PRO 56 9.916 -8.912 -5.137 445 HD2 PRO 56 1HD PRO 56 8.396 -6.586 -4.802 446 HD3 PRO 56 2HD PRO 56 9.147 -6.945 -6.431 447 H VAL 57 H VAL 57 5.375 -10.620 -7.245 448 HA VAL 57 HA VAL 57 3.357 -11.573 -6.705 449 HB VAL 57 HB VAL 57 4.948 -12.605 -5.205 450 HG11 VAL 57 1HG1 VAL 57 4.588 -12.431 -2.790 451 HG12 VAL 57 2HG1 VAL 57 5.235 -10.911 -3.453 452 HG13 VAL 57 3HG1 VAL 57 3.508 -11.039 -3.040 453 HG21 VAL 57 3HG2 VAL 57 2.962 -13.627 -5.853 454 HG22 VAL 57 1HG2 VAL 57 3.268 -13.933 -4.127 455 HG23 VAL 57 2HG2 VAL 57 2.034 -12.746 -4.615 456 H ASP 58 H ASP 58 3.384 -8.601 -6.750 457 HA ASP 58 HA ASP 58 2.125 -6.747 -6.198 458 HB2 ASP 58 1HB ASP 58 -0.231 -6.924 -6.189 459 HB3 ASP 58 2HB ASP 58 0.603 -7.748 -7.550 460 H TYR 59 H TYR 59 3.534 -7.769 -4.017 461 HA TYR 59 HA TYR 59 2.659 -8.363 -1.588 462 HB2 TYR 59 1HB TYR 59 4.953 -7.812 -1.927 463 HB3 TYR 59 2HB TYR 59 4.602 -6.139 -2.263 464 HD1 TYR 59 HD1 TYR 59 4.696 -8.713 0.398 465 HD2 TYR 59 HD2 TYR 59 4.233 -4.554 -0.557 466 HE1 TYR 59 HE1 TYR 59 4.516 -8.179 2.813 467 HE2 TYR 59 HE2 TYR 59 4.095 -4.009 1.853 468 HH TYR 59 HH TYR 59 4.640 -4.735 3.868 469 HA PRO 60 HA PRO 60 -0.782 -5.649 -0.503 470 HB2 PRO 60 1HB PRO 60 -1.394 -6.772 1.855 471 HB3 PRO 60 2HB PRO 60 -1.788 -7.560 0.328 472 HG2 PRO 60 1HG PRO 60 0.596 -8.087 2.171 473 HG3 PRO 60 2HG PRO 60 -0.477 -9.265 1.416 474 HD2 PRO 60 1HD PRO 60 1.980 -8.555 0.251 475 HD3 PRO 60 2HD PRO 60 0.530 -8.927 -0.797 476 H MET 61 H MET 61 -0.792 -3.783 0.147 477 HA MET 61 HA MET 61 1.289 -2.629 1.859 478 HB2 MET 61 1HB MET 61 -1.083 -1.494 0.342 479 HB3 MET 61 2HB MET 61 -0.188 -0.501 1.445 480 HG2 MET 61 1HG MET 61 0.672 -0.153 -0.665 481 HG3 MET 61 2HG MET 61 1.891 -1.129 0.223 482 HE1 MET 61 3HE MET 61 3.302 -2.021 -1.479 483 HE2 MET 61 1HE MET 61 2.785 -2.486 -3.118 484 HE3 MET 61 2HE MET 61 2.537 -0.819 -2.546 485 H VAL 62 H VAL 62 -0.145 -4.578 3.303 486 HA VAL 62 HA VAL 62 -1.343 -2.908 5.482 487 HB VAL 62 HB VAL 62 -2.738 -5.487 4.873 488 HG11 VAL 62 1HG1 VAL 62 -4.598 -4.228 5.947 489 HG12 VAL 62 2HG1 VAL 62 -3.148 -4.238 6.980 490 HG13 VAL 62 3HG1 VAL 62 -3.561 -2.785 6.039 491 HG21 VAL 62 3HG2 VAL 62 -2.911 -4.445 2.717 492 HG22 VAL 62 1HG2 VAL 62 -4.469 -4.440 3.576 493 HG23 VAL 62 2HG2 VAL 62 -3.509 -2.946 3.467 494 H ALA 63 H ALA 63 -1.107 -3.843 7.519 495 HA ALA 63 HA ALA 63 1.236 -5.218 8.292 496 HB1 ALA 63 3HB ALA 63 -1.479 -5.267 9.617 497 HB2 ALA 63 1HB ALA 63 0.088 -5.618 10.382 498 HB3 ALA 63 2HB ALA 63 -0.260 -3.982 9.775 499 HA PRO 64 HA PRO 64 1.569 -9.207 6.937 500 HB2 PRO 64 1HB PRO 64 2.097 -10.616 9.236 501 HB3 PRO 64 2HB PRO 64 3.280 -9.745 8.153 502 HG2 PRO 64 1HG PRO 64 1.992 -8.773 10.777 503 HG3 PRO 64 2HG PRO 64 3.666 -8.572 10.274 504 HD2 PRO 64 1HD PRO 64 1.961 -6.517 9.882 505 HD3 PRO 64 2HD PRO 64 3.091 -6.920 8.592 506 H ALA 65 H ALA 65 -0.344 -9.213 9.977 507 HA ALA 65 HA ALA 65 -2.172 -11.178 8.602 508 HB1 ALA 65 3HB ALA 65 -1.325 -11.164 11.508 509 HB2 ALA 65 1HB ALA 65 -2.558 -12.233 10.797 510 HB3 ALA 65 2HB ALA 65 -0.866 -12.346 10.258 511 H TYR 66 H TYR 66 -2.447 -8.266 8.651 512 HA TYR 66 HA TYR 66 -3.968 -7.176 10.756 513 HB2 TYR 66 1HB TYR 66 -2.886 -5.947 8.777 514 HB3 TYR 66 2HB TYR 66 -4.302 -6.329 7.848 515 HD1 TYR 66 HD1 TYR 66 -3.057 -4.542 10.817 516 HD2 TYR 66 HD2 TYR 66 -6.376 -5.173 8.171 517 HE1 TYR 66 HE1 TYR 66 -4.122 -2.475 11.670 518 HE2 TYR 66 HE2 TYR 66 -7.433 -3.092 9.003 519 HH TYR 66 HH TYR 66 -5.636 -0.732 10.708 520 H ALA 67 H ALA 67 -5.300 -8.611 7.748 521 HA ALA 67 HA ALA 67 -7.443 -9.852 9.419 522 HB1 ALA 67 3HB ALA 67 -8.150 -8.187 7.011 523 HB2 ALA 67 1HB ALA 67 -9.245 -9.265 7.909 524 HB3 ALA 67 2HB ALA 67 -8.547 -7.838 8.711 525 H GLU 68 H GLU 68 -6.038 -11.552 9.084 526 HA GLU 68 HA GLU 68 -5.371 -13.557 8.194 527 HB2 GLU 68 1HB GLU 68 -7.844 -13.203 6.522 528 HB3 GLU 68 2HB GLU 68 -6.895 -14.716 6.667 529 HG2 GLU 68 1HG GLU 68 -8.269 -13.320 9.025 530 HG3 GLU 68 2HG GLU 68 -8.938 -14.680 8.172 531 H ALA 69 H ALA 69 -4.394 -11.071 6.788 532 HA ALA 69 HA ALA 69 -3.449 -10.291 4.832 533 HB1 ALA 69 3HB ALA 69 -2.210 -13.019 5.021 534 HB2 ALA 69 1HB ALA 69 -1.586 -11.659 4.059 535 HB3 ALA 69 2HB ALA 69 -1.692 -11.522 5.831 536 H ARG 70 H ARG 70 -6.052 -11.278 4.218 537 HA ARG 70 HA ARG 70 -6.068 -13.116 1.985 538 HB2 ARG 70 1HB ARG 70 -7.901 -12.445 3.783 539 HB3 ARG 70 2HB ARG 70 -8.345 -11.212 2.621 540 HG2 ARG 70 1HG ARG 70 -8.635 -13.013 0.873 541 HG3 ARG 70 2HG ARG 70 -8.285 -14.216 2.093 542 HD2 ARG 70 1HD ARG 70 -10.202 -13.273 3.451 543 HD3 ARG 70 2HD ARG 70 -10.609 -12.289 2.028 544 HE ARG 70 HE ARG 70 -11.415 -14.175 0.946 545 HH11 ARG 70 1HH1 ARG 70 -9.525 -15.299 3.777 546 HH12 ARG 70 2HH1 ARG 70 -9.995 -16.997 3.503 547 HH21 ARG 70 1HH2 ARG 70 -11.951 -16.344 0.676 548 HH22 ARG 70 2HH2 ARG 70 -11.320 -17.568 1.811 549 H SER 71 H SER 71 -4.668 -10.287 1.684 550 HA SER 71 HA SER 71 -4.368 -8.618 0.160 551 HB2 SER 71 1HB SER 71 -4.530 -10.948 -1.347 552 HB3 SER 71 2HB SER 71 -5.217 -9.579 -2.280 553 HG SER 71 HG SER 71 -2.625 -9.734 -0.918 554 H ARG 72 H ARG 72 -7.640 -9.750 0.298 555 HA ARG 72 HA ARG 72 -8.575 -7.164 -0.939 556 HB2 ARG 72 1HB ARG 72 -9.131 -9.634 -1.901 557 HB3 ARG 72 2HB ARG 72 -10.373 -9.599 -0.675 558 HG2 ARG 72 1HG ARG 72 -11.365 -8.790 -2.665 559 HG3 ARG 72 2HG ARG 72 -11.126 -7.363 -1.656 560 HD2 ARG 72 1HD ARG 72 -8.973 -6.930 -2.877 561 HD3 ARG 72 2HD ARG 72 -9.388 -8.275 -3.969 562 HE ARG 72 HE ARG 72 -11.591 -6.403 -3.707 563 HH11 ARG 72 1HH1 ARG 72 -8.669 -7.121 -5.623 564 HH12 ARG 72 2HH1 ARG 72 -9.082 -5.899 -6.856 565 HH21 ARG 72 1HH2 ARG 72 -12.108 -4.978 -5.347 566 HH22 ARG 72 2HH2 ARG 72 -10.981 -4.722 -6.706 567 H LEU 73 H LEU 73 -7.796 -7.667 1.919 568 HA LEU 73 HA LEU 73 -10.112 -8.033 3.572 569 HB2 LEU 73 1HB LEU 73 -8.809 -7.280 5.398 570 HB3 LEU 73 2HB LEU 73 -8.006 -8.521 4.374 571 HG LEU 73 HG LEU 73 -6.864 -6.285 3.359 572 HD11 LEU 73 1HD1 LEU 73 -6.297 -4.770 5.184 573 HD12 LEU 73 2HD1 LEU 73 -8.054 -4.769 4.900 574 HD13 LEU 73 3HD1 LEU 73 -7.377 -5.658 6.285 575 HD21 LEU 73 3HD2 LEU 73 -5.735 -8.290 4.137 576 HD22 LEU 73 1HD2 LEU 73 -4.959 -6.815 4.760 577 HD23 LEU 73 2HD2 LEU 73 -5.995 -7.793 5.826 578 H ALA 74 H ALA 74 -8.584 -4.998 2.453 579 HA ALA 74 HA ALA 74 -10.800 -3.402 3.636 580 HB1 ALA 74 3HB ALA 74 -8.365 -2.567 2.026 581 HB2 ALA 74 1HB ALA 74 -9.538 -1.463 2.782 582 HB3 ALA 74 2HB ALA 74 -8.534 -2.525 3.798 583 H LYS 75 H LYS 75 -12.504 -4.243 2.508 584 HA LYS 75 HA LYS 75 -12.732 -4.547 -0.343 585 HB2 LYS 75 1HB LYS 75 -15.013 -5.018 0.044 586 HB3 LYS 75 2HB LYS 75 -13.944 -5.839 1.230 587 HG2 LYS 75 1HG LYS 75 -15.352 -5.105 2.818 588 HG3 LYS 75 2HG LYS 75 -14.728 -3.476 2.510 589 HD2 LYS 75 1HD LYS 75 -16.511 -3.224 0.692 590 HD3 LYS 75 2HD LYS 75 -17.178 -4.762 1.191 591 HE2 LYS 75 1HE LYS 75 -17.586 -3.873 3.450 592 HE3 LYS 75 2HE LYS 75 -16.888 -2.319 2.965 593 HZ1 LYS 75 3HZ LYS 75 -19.228 -3.623 1.729 594 HZ2 LYS 75 1HZ LYS 75 -19.263 -2.318 2.789 595 HZ3 LYS 75 2HZ LYS 75 -18.565 -2.148 1.268 596 H GLU 76 H GLU 76 -11.732 -1.984 0.110 597 HA GLU 76 HA GLU 76 -13.564 -0.306 -1.463 598 HB2 GLU 76 1HB GLU 76 -14.043 -0.195 1.232 599 HB3 GLU 76 2HB GLU 76 -12.775 1.007 1.127 600 HG2 GLU 76 1HG GLU 76 -14.050 2.318 -0.478 601 HG3 GLU 76 2HG GLU 76 -15.255 1.051 -0.639 602 H MET 77 H MET 77 -11.682 -0.842 -2.728 603 HA MET 77 HA MET 77 -9.021 0.087 -2.229 604 HB2 MET 77 1HB MET 77 -8.649 -0.111 -4.599 605 HB3 MET 77 2HB MET 77 -9.449 -1.540 -3.866 606 HG2 MET 77 1HG MET 77 -11.632 -0.773 -4.863 607 HG3 MET 77 2HG MET 77 -10.827 0.578 -5.606 608 HE1 MET 77 3HE MET 77 -11.627 0.069 -7.926 609 HE2 MET 77 1HE MET 77 -11.587 -1.542 -8.681 610 HE3 MET 77 2HE MET 77 -12.593 -1.259 -7.240 611 H GLY 78 H GLY 78 -11.856 1.796 -3.386 612 HA2 GLY 78 1HA GLY 78 -10.242 4.337 -3.730 613 HA3 GLY 78 2HA GLY 78 -11.764 3.992 -4.568 614 H LEU 79 H LEU 79 -10.704 6.035 -2.648 615 HA LEU 79 HA LEU 79 -13.066 6.201 -0.772 616 HB2 LEU 79 1HB LEU 79 -10.199 5.965 0.013 617 HB3 LEU 79 2HB LEU 79 -10.986 7.355 0.695 618 HG LEU 79 HG LEU 79 -12.883 5.629 1.361 619 HD11 LEU 79 1HD1 LEU 79 -11.992 3.437 1.856 620 HD12 LEU 79 2HD1 LEU 79 -11.959 3.730 0.100 621 HD13 LEU 79 3HD1 LEU 79 -10.458 3.845 1.050 622 HD21 LEU 79 3HD2 LEU 79 -11.569 6.985 2.856 623 HD22 LEU 79 1HD2 LEU 79 -11.735 5.316 3.447 624 HD23 LEU 79 2HD2 LEU 79 -10.206 5.850 2.710 625 H GLY 80 H GLY 80 -13.378 8.363 0.090 626 HA2 GLY 80 1HA GLY 80 -13.168 10.539 -1.867 627 HA3 GLY 80 2HA GLY 80 -13.656 10.709 -0.190 628 H GLN 81 H GLN 81 -10.997 10.493 -2.409 629 HA GLN 81 HA GLN 81 -9.112 11.817 -0.458 630 HB2 GLN 81 1HB GLN 81 -8.676 9.416 -1.555 631 HB3 GLN 81 2HB GLN 81 -8.272 10.325 -2.989 632 HG2 GLN 81 1HG GLN 81 -6.877 11.446 -0.652 633 HG3 GLN 81 2HG GLN 81 -6.540 9.762 -0.840 634 HE21 GLN 81 1HE2 GLN 81 -5.035 12.286 -1.196 635 HE22 GLN 81 2HE2 GLN 81 -4.180 11.967 -2.728 636 H ARG 82 H ARG 82 -7.535 13.308 -1.515 637 HA ARG 82 HA ARG 82 -7.121 15.349 -2.687 638 HB2 ARG 82 1HB ARG 82 -6.773 13.831 -4.418 639 HB3 ARG 82 2HB ARG 82 -8.531 13.838 -4.823 640 HG2 ARG 82 1HG ARG 82 -7.348 15.064 -6.461 641 HG3 ARG 82 2HG ARG 82 -8.300 16.207 -5.458 642 HD2 ARG 82 1HD ARG 82 -6.315 16.839 -4.267 643 HD3 ARG 82 2HD ARG 82 -5.349 15.672 -5.261 644 HE ARG 82 HE ARG 82 -7.014 17.534 -6.831 645 HH11 ARG 82 1HH1 ARG 82 -3.706 17.161 -5.503 646 HH12 ARG 82 2HH1 ARG 82 -3.056 18.393 -6.617 647 HH21 ARG 82 1HH2 ARG 82 -6.107 18.987 -8.236 648 HH22 ARG 82 2HH2 ARG 82 -4.373 19.393 -8.119 649 H ARG 83 H ARG 83 -9.138 15.455 -0.817 650 HA ARG 83 HA ARG 83 -10.765 17.758 -1.797 651 HB2 ARG 83 1HB ARG 83 -11.994 15.760 -2.547 652 HB3 ARG 83 2HB ARG 83 -12.114 15.240 -0.833 653 HG2 ARG 83 1HG ARG 83 -13.489 17.094 -0.291 654 HG3 ARG 83 2HG ARG 83 -13.211 17.844 -1.893 655 HD2 ARG 83 1HD ARG 83 -14.619 16.286 -3.000 656 HD3 ARG 83 2HD ARG 83 -14.328 15.022 -1.818 657 HE ARG 83 HE ARG 83 -16.430 17.003 -1.803 658 HH11 ARG 83 1HH1 ARG 83 -14.420 15.036 0.424 659 HH12 ARG 83 2HH1 ARG 83 -15.691 15.029 1.676 660 HH21 ARG 83 1HH2 ARG 83 -17.973 16.936 -0.171 661 HH22 ARG 83 2HH2 ARG 83 -17.633 16.069 1.350 662 H LYS 84 H LYS 84 -9.832 18.997 -0.398 663 HA LYS 84 HA LYS 84 -10.863 19.318 2.275 664 HB2 LYS 84 1HB LYS 84 -9.341 17.364 2.839 665 HB3 LYS 84 2HB LYS 84 -7.981 18.366 2.408 666 HG2 LYS 84 1HG LYS 84 -8.713 20.048 4.128 667 HG3 LYS 84 2HG LYS 84 -10.007 18.959 4.596 668 HD2 LYS 84 1HD LYS 84 -8.257 17.184 5.101 669 HD3 LYS 84 2HD LYS 84 -7.015 18.362 4.759 670 HE2 LYS 84 1HE LYS 84 -9.144 18.775 6.916 671 HE3 LYS 84 2HE LYS 84 -7.559 18.144 7.215 672 HZ1 LYS 84 3HZ LYS 84 -8.169 20.773 6.112 673 HZ2 LYS 84 1HZ LYS 84 -7.696 20.395 7.681 674 HZ3 LYS 84 2HZ LYS 84 -6.630 20.161 6.403 675 H ALA 85 H ALA 85 -7.732 19.681 0.610 676 HA ALA 85 HA ALA 85 -6.261 21.515 0.294 677 HB1 ALA 85 3HB ALA 85 -8.773 23.042 -0.075 678 HB2 ALA 85 1HB ALA 85 -7.118 23.549 -0.487 679 HB3 ALA 85 2HB ALA 85 -7.846 22.146 -1.302 680 H ASN 86 H ASN 86 -5.490 21.106 2.357 681 HA ASN 86 HA ASN 86 -6.190 22.998 4.566 682 HB2 ASN 86 1HB ASN 86 -4.478 21.773 5.800 683 HB3 ASN 86 2HB ASN 86 -5.790 20.734 5.155 684 HD21 ASN 86 1HD2 ASN 86 -4.668 18.809 5.222 685 HD22 ASN 86 2HD2 ASN 86 -3.315 18.472 4.109 686 H ARG 87 H ARG 87 -4.391 24.143 5.686 687 HA ARG 87 HA ARG 87 -3.038 26.104 4.064 688 HB2 ARG 87 1HB ARG 87 -3.489 26.200 6.555 689 HB3 ARG 87 2HB ARG 87 -2.125 25.115 6.780 690 HG2 ARG 87 1HG ARG 87 -1.145 27.155 5.062 691 HG3 ARG 87 2HG ARG 87 -2.104 27.984 6.270 692 HD2 ARG 87 1HD ARG 87 -0.360 25.887 7.431 693 HD3 ARG 87 2HD ARG 87 0.510 27.166 6.613 694 HE ARG 87 HE ARG 87 -0.844 27.313 9.121 695 HH11 ARG 87 1HH1 ARG 87 -0.196 29.385 6.260 696 HH12 ARG 87 2HH1 ARG 87 -0.281 30.872 7.241 697 HH21 ARG 87 1HH2 ARG 87 -0.904 29.235 10.268 698 HH22 ARG 87 2HH2 ARG 87 -0.667 30.790 9.426 Start of MODEL 20 1 H1 ALA 1 1H ALA 1 12.096 7.980 12.220 2 HA ALA 1 HA ALA 1 14.731 7.782 13.238 3 HB1 ALA 1 3HB ALA 1 13.154 5.194 13.349 4 HB2 ALA 1 1HB ALA 1 14.919 5.332 13.541 5 HB3 ALA 1 2HB ALA 1 13.833 6.097 14.724 6 H VAL 2 H VAL 2 13.304 8.492 10.804 7 HA VAL 2 HA VAL 2 14.585 6.678 8.786 8 HB VAL 2 HB VAL 2 12.445 6.671 7.440 9 HG11 VAL 2 1HG1 VAL 2 11.611 4.713 8.658 10 HG12 VAL 2 2HG1 VAL 2 13.389 4.695 8.588 11 HG13 VAL 2 3HG1 VAL 2 12.563 5.178 10.088 12 HG21 VAL 2 3HG2 VAL 2 11.203 8.381 8.572 13 HG22 VAL 2 1HG2 VAL 2 10.363 6.813 8.623 14 HG23 VAL 2 2HG2 VAL 2 11.203 7.418 10.070 15 H ASN 3 H ASN 3 12.713 9.674 9.231 16 HA ASN 3 HA ASN 3 13.354 11.066 6.801 17 HB2 ASN 3 1HB ASN 3 11.641 11.873 8.369 18 HB3 ASN 3 2HB ASN 3 12.825 12.124 9.616 19 HD21 ASN 3 1HD2 ASN 3 14.094 13.909 9.651 20 HD22 ASN 3 2HD2 ASN 3 14.057 15.167 8.386 21 H VAL 4 H VAL 4 15.312 10.730 6.076 22 HA VAL 4 HA VAL 4 17.653 12.056 7.540 23 HB VAL 4 HB VAL 4 19.119 10.746 6.141 24 HG11 VAL 4 1HG1 VAL 4 18.988 8.869 7.745 25 HG12 VAL 4 2HG1 VAL 4 18.746 10.428 8.570 26 HG13 VAL 4 3HG1 VAL 4 17.351 9.380 8.217 27 HG21 VAL 4 3HG2 VAL 4 17.630 9.859 4.476 28 HG22 VAL 4 1HG2 VAL 4 18.413 8.566 5.416 29 HG23 VAL 4 2HG2 VAL 4 16.713 8.991 5.731 30 H GLU 5 H GLU 5 16.752 11.369 4.134 31 HA GLU 5 HA GLU 5 17.220 14.281 3.518 32 HB2 GLU 5 1HB GLU 5 19.310 12.901 2.987 33 HB3 GLU 5 2HB GLU 5 18.366 11.947 1.876 34 HG2 GLU 5 1HG GLU 5 17.802 14.288 0.746 35 HG3 GLU 5 2HG GLU 5 19.211 14.832 1.604 36 H LYS 6 H LYS 6 14.850 14.315 3.572 37 HA LYS 6 HA LYS 6 12.644 13.956 2.849 38 HB2 LYS 6 1HB LYS 6 14.179 14.552 0.372 39 HB3 LYS 6 2HB LYS 6 12.425 14.335 0.402 40 HG2 LYS 6 1HG LYS 6 12.081 16.214 1.757 41 HG3 LYS 6 2HG LYS 6 13.726 16.175 2.413 42 HD2 LYS 6 1HD LYS 6 14.643 16.914 0.251 43 HD3 LYS 6 2HD LYS 6 13.041 16.847 -0.487 44 HE2 LYS 6 1HE LYS 6 12.241 18.665 0.839 45 HE3 LYS 6 2HE LYS 6 13.644 18.587 1.925 46 HZ1 LYS 6 3HZ LYS 6 13.714 19.272 -0.944 47 HZ2 LYS 6 1HZ LYS 6 13.848 20.353 0.336 48 HZ3 LYS 6 2HZ LYS 6 15.043 19.197 0.084 49 H GLN 7 H GLN 7 12.258 11.948 3.638 50 HA GLN 7 HA GLN 7 11.594 9.749 3.625 51 HB2 GLN 7 1HB GLN 7 11.419 10.132 0.661 52 HB3 GLN 7 2HB GLN 7 10.732 8.790 1.631 53 HG2 GLN 7 1HG GLN 7 8.846 10.230 1.326 54 HG3 GLN 7 2HG GLN 7 9.416 10.742 2.878 55 HE21 GLN 7 1HE2 GLN 7 8.789 12.820 2.913 56 HE22 GLN 7 2HE2 GLN 7 9.366 13.962 1.724 57 H LYS 8 H LYS 8 12.078 7.574 2.305 58 HA LYS 8 HA LYS 8 14.725 7.279 0.998 59 HB2 LYS 8 1HB LYS 8 15.692 5.700 2.464 60 HB3 LYS 8 2HB LYS 8 15.596 7.345 3.175 61 HG2 LYS 8 1HG LYS 8 13.786 6.617 4.677 62 HG3 LYS 8 2HG LYS 8 13.697 5.058 3.910 63 HD2 LYS 8 1HD LYS 8 16.294 5.949 5.083 64 HD3 LYS 8 2HD LYS 8 14.959 5.370 6.127 65 HE2 LYS 8 1HE LYS 8 16.336 3.505 5.750 66 HE3 LYS 8 2HE LYS 8 14.922 3.293 4.666 67 HZ1 LYS 8 3HZ LYS 8 17.592 4.234 3.876 68 HZ2 LYS 8 1HZ LYS 8 16.957 2.699 3.614 69 HZ3 LYS 8 2HZ LYS 8 16.267 4.035 2.860 70 HA PRO 9 HA PRO 9 12.637 3.595 -0.520 71 HB2 PRO 9 1HB PRO 9 14.812 2.350 -1.646 72 HB3 PRO 9 2HB PRO 9 13.950 3.667 -2.442 73 HG2 PRO 9 1HG PRO 9 16.515 3.806 -0.791 74 HG3 PRO 9 2HG PRO 9 16.170 4.576 -2.338 75 HD2 PRO 9 1HD PRO 9 15.860 5.967 0.076 76 HD3 PRO 9 2HD PRO 9 14.686 6.245 -1.298 77 H ALA 10 H ALA 10 11.997 2.263 0.944 78 HA ALA 10 HA ALA 10 13.740 1.253 3.118 79 HB1 ALA 10 3HB ALA 10 10.838 0.774 2.411 80 HB2 ALA 10 1HB ALA 10 11.646 0.266 3.913 81 HB3 ALA 10 2HB ALA 10 11.473 1.997 3.538 82 H VAL 11 H VAL 11 15.144 0.394 1.334 83 HA VAL 11 HA VAL 11 16.068 -1.211 -0.078 84 HB VAL 11 HB VAL 11 16.249 -3.406 0.717 85 HG11 VAL 11 1HG1 VAL 11 17.578 -2.733 2.667 86 HG12 VAL 11 2HG1 VAL 11 17.797 -1.579 1.332 87 HG13 VAL 11 3HG1 VAL 11 16.749 -1.159 2.707 88 HG21 VAL 11 3HG2 VAL 11 14.199 -3.850 1.775 89 HG22 VAL 11 1HG2 VAL 11 15.576 -4.051 2.885 90 HG23 VAL 11 2HG2 VAL 11 14.532 -2.614 3.012 91 H SER 12 H SER 12 15.305 -3.815 -0.717 92 HA SER 12 HA SER 12 13.066 -3.469 -2.574 93 HB2 SER 12 1HB SER 12 15.185 -4.740 -3.152 94 HB3 SER 12 2HB SER 12 14.722 -5.956 -1.960 95 HG SER 12 HG SER 12 14.079 -6.182 -4.346 96 H VAL 13 H VAL 13 11.615 -5.616 -2.541 97 HA VAL 13 HA VAL 13 9.910 -5.591 -0.191 98 HB VAL 13 HB VAL 13 9.184 -5.726 -2.501 99 HG11 VAL 13 1HG1 VAL 13 9.109 -7.905 -3.628 100 HG12 VAL 13 2HG1 VAL 13 10.786 -7.336 -3.446 101 HG13 VAL 13 3HG1 VAL 13 10.154 -8.603 -2.368 102 HG21 VAL 13 3HG2 VAL 13 7.691 -6.049 -0.789 103 HG22 VAL 13 1HG2 VAL 13 7.361 -7.190 -2.114 104 HG23 VAL 13 2HG2 VAL 13 8.148 -7.761 -0.624 105 H ARG 14 H ARG 14 9.394 -8.514 -0.235 106 HA ARG 14 HA ARG 14 9.985 -10.538 0.730 107 HB2 ARG 14 1HB ARG 14 11.867 -10.395 -0.722 108 HB3 ARG 14 2HB ARG 14 12.779 -9.564 0.588 109 HG2 ARG 14 1HG ARG 14 12.656 -11.512 1.955 110 HG3 ARG 14 2HG ARG 14 11.644 -12.346 0.722 111 HD2 ARG 14 1HD ARG 14 13.518 -12.124 -0.945 112 HD3 ARG 14 2HD ARG 14 14.502 -11.282 0.242 113 HE ARG 14 HE ARG 14 13.801 -13.704 1.389 114 HH11 ARG 14 1HH1 ARG 14 15.625 -12.702 -1.465 115 HH12 ARG 14 2HH1 ARG 14 16.683 -14.074 -1.401 116 HH21 ARG 14 1HH2 ARG 14 15.220 -15.487 1.396 117 HH22 ARG 14 2HH2 ARG 14 16.448 -15.610 0.183 118 H LYS 15 H LYS 15 11.837 -7.843 2.228 119 HA LYS 15 HA LYS 15 10.724 -8.764 4.873 120 HB2 LYS 15 1HB LYS 15 12.628 -7.942 5.998 121 HB3 LYS 15 2HB LYS 15 12.944 -9.288 4.850 122 HG2 LYS 15 1HG LYS 15 14.691 -8.088 4.119 123 HG3 LYS 15 2HG LYS 15 13.529 -6.968 3.397 124 HD2 LYS 15 1HD LYS 15 13.789 -5.395 5.102 125 HD3 LYS 15 2HD LYS 15 14.130 -6.604 6.327 126 HE2 LYS 15 1HE LYS 15 16.074 -5.869 4.100 127 HE3 LYS 15 2HE LYS 15 16.107 -5.188 5.724 128 HZ1 LYS 15 3HZ LYS 15 16.339 -8.023 5.096 129 HZ2 LYS 15 1HZ LYS 15 17.580 -7.023 5.462 130 HZ3 LYS 15 2HZ LYS 15 16.437 -7.355 6.580 131 H SER 16 H SER 16 9.737 -6.552 2.825 132 HA SER 16 HA SER 16 9.402 -4.121 4.084 133 HB2 SER 16 1HB SER 16 7.127 -5.721 2.842 134 HB3 SER 16 2HB SER 16 7.338 -3.975 2.867 135 HG SER 16 HG SER 16 8.290 -4.176 1.035 136 H VAL 17 H VAL 17 8.110 -7.195 5.071 137 HA VAL 17 HA VAL 17 6.274 -6.151 7.090 138 HB VAL 17 HB VAL 17 6.899 -8.760 5.744 139 HG11 VAL 17 1HG1 VAL 17 5.395 -10.003 7.220 140 HG12 VAL 17 2HG1 VAL 17 6.833 -9.436 8.101 141 HG13 VAL 17 3HG1 VAL 17 5.277 -8.596 8.303 142 HG21 VAL 17 3HG2 VAL 17 5.204 -7.254 4.808 143 HG22 VAL 17 1HG2 VAL 17 4.435 -8.734 5.427 144 HG23 VAL 17 2HG2 VAL 17 4.342 -7.224 6.365 145 H GLN 18 H GLN 18 7.107 -5.604 9.019 146 HA GLN 18 HA GLN 18 9.447 -7.087 10.127 147 HB2 GLN 18 1HB GLN 18 8.540 -4.272 10.728 148 HB3 GLN 18 2HB GLN 18 10.087 -5.065 11.160 149 HG2 GLN 18 1HG GLN 18 10.725 -5.089 8.731 150 HG3 GLN 18 2HG GLN 18 9.220 -4.329 8.307 151 HE21 GLN 18 1HE2 GLN 18 12.411 -3.958 9.286 152 HE22 GLN 18 2HE2 GLN 18 12.408 -2.177 9.388 153 H ASP 19 H ASP 19 9.237 -6.166 12.782 154 HA ASP 19 HA ASP 19 7.367 -7.931 13.957 155 HB2 ASP 19 1HB ASP 19 9.225 -5.816 15.088 156 HB3 ASP 19 2HB ASP 19 8.129 -6.671 16.122 157 H ASP 20 H ASP 20 5.362 -7.262 12.940 158 HA ASP 20 HA ASP 20 3.232 -6.298 12.880 159 HB2 ASP 20 1HB ASP 20 3.159 -7.070 15.203 160 HB3 ASP 20 2HB ASP 20 3.617 -5.469 15.708 161 H HIS 21 H HIS 21 5.452 -4.832 11.756 162 HA HIS 21 HA HIS 21 4.112 -2.276 11.459 163 HB2 HIS 21 1HB HIS 21 6.129 -0.950 11.686 164 HB3 HIS 21 2HB HIS 21 5.417 -1.581 13.215 165 HD1 HIS 21 HD1 HIS 21 6.935 -3.439 14.458 166 HD2 HIS 21 HD2 HIS 21 8.634 -1.491 11.240 167 HE1 HIS 21 HE1 HIS 21 9.456 -3.531 14.838 168 H ILE 22 H ILE 22 4.038 -1.852 9.461 169 HA ILE 22 HA ILE 22 5.819 -3.279 7.518 170 HB ILE 22 HB ILE 22 3.445 -3.812 7.452 171 HG12 ILE 22 1HG1 ILE 22 4.773 -4.355 5.704 172 HG13 ILE 22 2HG1 ILE 22 3.117 -3.873 5.185 173 HG21 ILE 22 1HG2 ILE 22 1.822 -2.285 6.424 174 HG22 ILE 22 2HG2 ILE 22 2.392 -1.655 7.987 175 HG23 ILE 22 3HG2 ILE 22 3.017 -0.967 6.470 176 HD11 ILE 22 3HD1 ILE 22 5.650 -2.257 4.818 177 HD12 ILE 22 1HD1 ILE 22 4.802 -3.195 3.566 178 HD13 ILE 22 2HD1 ILE 22 4.014 -1.781 4.305 179 H VAL 23 H VAL 23 7.241 -2.123 6.384 180 HA VAL 23 HA VAL 23 7.761 0.694 7.060 181 HB VAL 23 HB VAL 23 9.374 -1.092 7.204 182 HG11 VAL 23 1HG1 VAL 23 10.615 -1.750 5.195 183 HG12 VAL 23 2HG1 VAL 23 8.946 -2.368 5.149 184 HG13 VAL 23 3HG1 VAL 23 9.399 -0.952 4.170 185 HG21 VAL 23 3HG2 VAL 23 9.952 1.134 7.391 186 HG22 VAL 23 1HG2 VAL 23 11.178 0.266 6.436 187 HG23 VAL 23 2HG2 VAL 23 10.010 1.335 5.624 188 H CYS 24 H CYS 24 7.247 2.418 6.021 189 HA CYS 24 HA CYS 24 5.654 2.334 3.694 190 HB2 CYS 24 1HB CYS 24 5.360 3.971 5.516 191 HB3 CYS 24 2HB CYS 24 6.881 4.748 5.035 192 H LEU 25 H LEU 25 6.969 1.382 2.035 193 HA LEU 25 HA LEU 25 9.335 2.359 0.959 194 HB2 LEU 25 1HB LEU 25 6.887 1.137 -0.219 195 HB3 LEU 25 2HB LEU 25 8.198 1.769 -1.283 196 HG LEU 25 HG LEU 25 8.460 -0.668 -1.027 197 HD11 LEU 25 1HD1 LEU 25 10.675 -0.809 -0.298 198 HD12 LEU 25 2HD1 LEU 25 10.407 0.599 -1.355 199 HD13 LEU 25 3HD1 LEU 25 10.585 0.825 0.402 200 HD21 LEU 25 3HD2 LEU 25 7.271 -0.984 1.090 201 HD22 LEU 25 1HD2 LEU 25 8.893 -1.718 1.072 202 HD23 LEU 25 2HD2 LEU 25 8.617 -0.191 1.944 203 H GLU 26 H GLU 26 9.997 4.035 -0.125 204 HA GLU 26 HA GLU 26 10.131 6.270 -0.968 205 HB2 GLU 26 1HB GLU 26 8.300 5.198 -2.451 206 HB3 GLU 26 2HB GLU 26 7.289 6.413 -1.603 207 HG2 GLU 26 1HG GLU 26 9.895 7.295 -2.745 208 HG3 GLU 26 2HG GLU 26 8.543 6.943 -3.872 209 H CYS 27 H CYS 27 9.139 5.606 1.960 210 HA CYS 27 HA CYS 27 8.840 8.461 2.560 211 HB2 CYS 27 1HB CYS 27 6.621 7.063 2.640 212 HB3 CYS 27 2HB CYS 27 7.278 6.510 4.192 213 H GLY 28 H GLY 28 9.160 5.148 3.936 214 HA2 GLY 28 1HA GLY 28 11.311 4.468 5.081 215 HA3 GLY 28 2HA GLY 28 11.431 6.087 5.739 216 H GLY 29 H GLY 29 8.751 6.543 6.606 217 HA2 GLY 29 1HA GLY 29 8.798 5.558 9.238 218 HA3 GLY 29 2HA GLY 29 7.387 6.194 8.449 219 H SER 30 H SER 30 7.884 3.988 10.395 220 HA SER 30 HA SER 30 6.567 1.779 8.772 221 HB2 SER 30 1HB SER 30 8.939 1.359 9.615 222 HB3 SER 30 2HB SER 30 8.203 1.264 11.232 223 HG SER 30 HG SER 30 6.569 -0.175 9.700 224 H PHE 31 H PHE 31 4.889 0.722 9.621 225 HA PHE 31 HA PHE 31 3.489 1.457 12.148 226 HB2 PHE 31 1HB PHE 31 1.598 2.514 10.939 227 HB3 PHE 31 2HB PHE 31 3.066 3.516 11.193 228 HD1 PHE 31 HD1 PHE 31 2.630 1.011 8.398 229 HD2 PHE 31 HD2 PHE 31 2.656 5.130 9.599 230 HE1 PHE 31 HE1 PHE 31 3.358 1.665 6.127 231 HE2 PHE 31 HE2 PHE 31 3.255 5.790 7.291 232 HZ PHE 31 HZ PHE 31 3.548 4.063 5.541 233 H LYS 32 H LYS 32 1.364 0.573 12.352 234 HA LYS 32 HA LYS 32 0.980 -1.965 11.240 235 HB2 LYS 32 1HB LYS 32 -0.649 -0.142 12.940 236 HB3 LYS 32 2HB LYS 32 -1.346 -1.639 12.304 237 HG2 LYS 32 1HG LYS 32 -0.259 -2.836 13.824 238 HG3 LYS 32 2HG LYS 32 1.311 -2.173 13.260 239 HD2 LYS 32 1HD LYS 32 -0.419 -0.730 15.339 240 HD3 LYS 32 2HD LYS 32 0.813 -1.858 15.785 241 HE2 LYS 32 1HE LYS 32 2.464 -0.426 14.483 242 HE3 LYS 32 2HE LYS 32 1.174 0.767 14.354 243 HZ1 LYS 32 3HZ LYS 32 2.255 -0.347 16.816 244 HZ2 LYS 32 1HZ LYS 32 2.488 1.161 16.248 245 HZ3 LYS 32 2HZ LYS 32 1.004 0.694 16.752 246 H SER 33 H SER 33 -0.263 1.169 9.950 247 HA SER 33 HA SER 33 -1.541 -0.399 7.793 248 HB2 SER 33 1HB SER 33 -3.318 1.374 7.757 249 HB3 SER 33 2HB SER 33 -3.333 0.266 9.132 250 HG SER 33 HG SER 33 -3.604 2.556 9.684 251 H LEU 34 H LEU 34 0.140 -0.130 6.249 252 HA LEU 34 HA LEU 34 1.075 2.436 5.351 253 HB2 LEU 34 1HB LEU 34 2.219 0.327 5.066 254 HB3 LEU 34 2HB LEU 34 1.022 -0.066 3.788 255 HG LEU 34 HG LEU 34 2.504 2.541 3.569 256 HD11 LEU 34 1HD1 LEU 34 4.353 1.357 2.434 257 HD12 LEU 34 2HD1 LEU 34 4.250 0.830 4.132 258 HD13 LEU 34 3HD1 LEU 34 3.613 -0.212 2.837 259 HD21 LEU 34 3HD2 LEU 34 0.758 1.923 1.947 260 HD22 LEU 34 1HD2 LEU 34 2.371 2.009 1.202 261 HD23 LEU 34 2HD2 LEU 34 1.646 0.427 1.574 262 H LYS 35 H LYS 35 -1.633 0.350 4.068 263 HA LYS 35 HA LYS 35 -2.478 1.599 1.923 264 HB2 LYS 35 1HB LYS 35 -3.708 -0.265 2.875 265 HB3 LYS 35 2HB LYS 35 -4.412 0.784 4.096 266 HG2 LYS 35 1HG LYS 35 -5.354 2.204 2.114 267 HG3 LYS 35 2HG LYS 35 -4.896 0.893 1.078 268 HD2 LYS 35 1HD LYS 35 -6.397 -0.625 2.180 269 HD3 LYS 35 2HD LYS 35 -6.708 0.521 3.476 270 HE2 LYS 35 1HE LYS 35 -7.359 1.153 0.554 271 HE3 LYS 35 2HE LYS 35 -8.504 0.429 1.649 272 HZ1 LYS 35 3HZ LYS 35 -7.188 3.018 2.013 273 HZ2 LYS 35 1HZ LYS 35 -8.768 2.735 1.512 274 HZ3 LYS 35 2HZ LYS 35 -8.293 2.319 3.070 275 H ARG 36 H ARG 36 -3.929 2.847 5.040 276 HA ARG 36 HA ARG 36 -5.147 5.144 3.980 277 HB2 ARG 36 1HB ARG 36 -4.091 4.710 6.764 278 HB3 ARG 36 2HB ARG 36 -5.132 6.034 6.247 279 HG2 ARG 36 1HG ARG 36 -6.857 4.397 5.532 280 HG3 ARG 36 2HG ARG 36 -5.815 3.074 6.062 281 HD2 ARG 36 1HD ARG 36 -5.745 4.273 8.313 282 HD3 ARG 36 2HD ARG 36 -7.161 5.202 7.679 283 HE ARG 36 HE ARG 36 -7.593 2.495 7.103 284 HH11 ARG 36 1HH1 ARG 36 -8.071 4.660 9.812 285 HH12 ARG 36 2HH1 ARG 36 -8.896 3.467 10.760 286 HH21 ARG 36 1HH2 ARG 36 -8.748 1.014 8.314 287 HH22 ARG 36 2HH2 ARG 36 -9.310 1.441 9.895 288 H HIS 37 H HIS 37 -2.084 5.214 5.853 289 HA HIS 37 HA HIS 37 -1.121 7.635 5.393 290 HB2 HIS 37 1HB HIS 37 0.041 6.177 6.768 291 HB3 HIS 37 2HB HIS 37 0.391 5.056 5.414 292 HD1 HIS 37 HD1 HIS 37 1.325 8.511 6.757 293 HD2 HIS 37 HD2 HIS 37 2.676 5.617 3.993 294 HE1 HIS 37 HE1 HIS 37 3.643 9.269 5.952 295 H LEU 38 H LEU 38 -0.584 4.873 3.128 296 HA LEU 38 HA LEU 38 0.755 6.113 1.053 297 HB2 LEU 38 1HB LEU 38 0.248 3.695 1.549 298 HB3 LEU 38 2HB LEU 38 -1.319 3.985 0.698 299 HG LEU 38 HG LEU 38 0.412 2.810 -0.694 300 HD11 LEU 38 1HD1 LEU 38 0.064 4.015 -2.676 301 HD12 LEU 38 2HD1 LEU 38 -1.426 3.833 -1.719 302 HD13 LEU 38 3HD1 LEU 38 -0.576 5.396 -1.754 303 HD21 LEU 38 3HD2 LEU 38 2.418 3.954 0.158 304 HD22 LEU 38 1HD2 LEU 38 2.251 4.095 -1.609 305 HD23 LEU 38 2HD2 LEU 38 1.843 5.476 -0.563 306 H THR 39 H THR 39 -2.806 5.332 0.934 307 HA THR 39 HA THR 39 -3.474 6.898 -1.240 308 HB THR 39 HB THR 39 -5.430 6.306 0.986 309 HG1 THR 39 HG1 THR 39 -5.309 4.317 -0.807 310 HG21 THR 39 3HG2 THR 39 -5.598 6.238 -2.044 311 HG22 THR 39 1HG2 THR 39 -6.917 5.891 -0.901 312 HG23 THR 39 2HG2 THR 39 -6.233 7.531 -1.001 313 H THR 40 H THR 40 -3.324 7.894 2.171 314 HA THR 40 HA THR 40 -4.432 10.607 1.887 315 HB THR 40 HB THR 40 -2.551 9.554 4.018 316 HG1 THR 40 HG1 THR 40 -5.343 9.868 4.365 317 HG21 THR 40 3HG2 THR 40 -4.467 11.883 3.991 318 HG22 THR 40 1HG2 THR 40 -3.488 11.301 5.359 319 HG23 THR 40 2HG2 THR 40 -2.693 12.001 3.928 320 H HIS 41 H HIS 41 -0.993 9.576 2.257 321 HA HIS 41 HA HIS 41 -0.072 12.355 1.510 322 HB2 HIS 41 1HB HIS 41 1.454 10.031 2.636 323 HB3 HIS 41 2HB HIS 41 2.121 11.579 2.223 324 HD2 HIS 41 HD2 HIS 41 2.345 10.704 5.092 325 HE1 HIS 41 HE1 HIS 41 -0.664 13.527 5.980 326 HE2 HIS 41 HE2 HIS 41 1.318 12.184 6.934 327 H HIS 42 H HIS 42 1.460 9.314 0.572 328 HA HIS 42 HA HIS 42 2.308 10.021 -1.965 329 HB2 HIS 42 1HB HIS 42 1.603 7.228 -1.214 330 HB3 HIS 42 2HB HIS 42 2.922 7.854 -2.254 331 HD1 HIS 42 HD1 HIS 42 5.046 8.382 -1.194 332 HD2 HIS 42 HD2 HIS 42 2.070 7.571 1.603 333 HE1 HIS 42 HE1 HIS 42 6.250 8.218 1.135 334 H SER 43 H SER 43 -0.924 8.992 -0.869 335 HA SER 43 HA SER 43 -2.974 8.756 -1.874 336 HB2 SER 43 1HB SER 43 -3.709 10.061 -3.586 337 HB3 SER 43 2HB SER 43 -2.740 11.025 -2.500 338 HG SER 43 HG SER 43 -1.518 11.570 -4.094 339 H MET 44 H MET 44 -3.727 8.306 -4.533 340 HA MET 44 HA MET 44 -4.040 6.552 -6.069 341 HB2 MET 44 1HB MET 44 -1.187 5.865 -5.533 342 HB3 MET 44 2HB MET 44 -2.231 5.360 -6.900 343 HG2 MET 44 1HG MET 44 -2.244 7.655 -7.781 344 HG3 MET 44 2HG MET 44 -1.405 8.261 -6.381 345 HE1 MET 44 3HE MET 44 0.849 6.076 -5.837 346 HE2 MET 44 1HE MET 44 2.181 6.745 -6.809 347 HE3 MET 44 2HE MET 44 1.146 7.830 -5.851 348 H THR 45 H THR 45 -4.006 4.198 -6.412 349 HA THR 45 HA THR 45 -5.037 2.775 -4.084 350 HB THR 45 HB THR 45 -5.357 0.892 -5.584 351 HG1 THR 45 HG1 THR 45 -4.898 1.358 -7.880 352 HG21 THR 45 3HG2 THR 45 -6.239 3.508 -6.826 353 HG22 THR 45 1HG2 THR 45 -6.938 1.897 -7.114 354 HG23 THR 45 2HG2 THR 45 -7.075 2.652 -5.509 355 HA PRO 46 HA PRO 46 -1.325 0.689 -2.601 356 HB2 PRO 46 1HB PRO 46 -2.333 -1.692 -2.082 357 HB3 PRO 46 2HB PRO 46 -2.462 -0.214 -1.014 358 HG2 PRO 46 1HG PRO 46 -4.576 -1.401 -2.925 359 HG3 PRO 46 2HG PRO 46 -4.837 -0.834 -1.278 360 HD2 PRO 46 1HD PRO 46 -5.367 0.841 -3.349 361 HD3 PRO 46 2HD PRO 46 -4.594 1.485 -1.902 362 H GLU 47 H GLU 47 -3.350 -1.348 -4.895 363 HA GLU 47 HA GLU 47 -1.206 -2.662 -6.034 364 HB2 GLU 47 1HB GLU 47 -3.939 -2.147 -6.911 365 HB3 GLU 47 2HB GLU 47 -2.759 -2.597 -8.155 366 HG2 GLU 47 1HG GLU 47 -2.145 -4.375 -6.048 367 HG3 GLU 47 2HG GLU 47 -3.873 -4.278 -5.961 368 H GLU 48 H GLU 48 -2.379 0.659 -7.044 369 HA GLU 48 HA GLU 48 -0.632 0.969 -9.280 370 HB2 GLU 48 1HB GLU 48 -2.628 2.468 -8.186 371 HB3 GLU 48 2HB GLU 48 -1.218 3.371 -7.675 372 HG2 GLU 48 1HG GLU 48 -1.955 4.186 -9.841 373 HG3 GLU 48 2HG GLU 48 -0.407 3.388 -10.058 374 H TYR 49 H TYR 49 -0.169 1.730 -5.827 375 HA TYR 49 HA TYR 49 2.517 2.735 -5.802 376 HB2 TYR 49 1HB TYR 49 1.545 2.928 -3.836 377 HB3 TYR 49 2HB TYR 49 0.674 1.361 -3.970 378 HD1 TYR 49 HD1 TYR 49 1.778 -0.721 -3.395 379 HD2 TYR 49 HD2 TYR 49 3.717 3.044 -2.724 380 HE1 TYR 49 HE1 TYR 49 3.355 -1.833 -1.912 381 HE2 TYR 49 HE2 TYR 49 5.246 1.964 -1.127 382 HH TYR 49 HH TYR 49 6.168 -0.084 -0.615 383 H ARG 50 H ARG 50 1.504 -0.752 -5.788 384 HA ARG 50 HA ARG 50 4.119 -1.856 -5.534 385 HB2 ARG 50 1HB ARG 50 3.289 -3.800 -5.684 386 HB3 ARG 50 2HB ARG 50 1.808 -2.867 -5.242 387 HG2 ARG 50 1HG ARG 50 0.982 -4.371 -6.831 388 HG3 ARG 50 2HG ARG 50 1.336 -2.998 -7.844 389 HD2 ARG 50 1HD ARG 50 3.356 -3.991 -8.659 390 HD3 ARG 50 2HD ARG 50 3.310 -5.260 -7.432 391 HE ARG 50 HE ARG 50 0.903 -5.285 -8.928 392 HH11 ARG 50 1HH1 ARG 50 4.332 -5.860 -9.644 393 HH12 ARG 50 2HH1 ARG 50 3.955 -7.165 -10.799 394 HH21 ARG 50 1HH2 ARG 50 0.485 -6.964 -10.386 395 HH22 ARG 50 2HH2 ARG 50 1.850 -7.766 -11.207 396 H GLU 51 H GLU 51 2.357 -0.683 -8.387 397 HA GLU 51 HA GLU 51 4.087 -1.831 -10.449 398 HB2 GLU 51 1HB GLU 51 1.776 -0.405 -10.439 399 HB3 GLU 51 2HB GLU 51 2.989 0.682 -11.175 400 HG2 GLU 51 1HG GLU 51 3.714 -1.686 -12.374 401 HG3 GLU 51 2HG GLU 51 2.012 -2.013 -12.152 402 H LYS 52 H LYS 52 4.339 1.439 -8.788 403 HA LYS 52 HA LYS 52 6.624 2.267 -10.335 404 HB2 LYS 52 1HB LYS 52 6.879 4.028 -9.151 405 HB3 LYS 52 2HB LYS 52 5.099 3.710 -9.123 406 HG2 LYS 52 1HG LYS 52 5.569 4.563 -6.958 407 HG3 LYS 52 2HG LYS 52 5.543 2.854 -6.689 408 HD2 LYS 52 1HD LYS 52 7.498 3.009 -5.787 409 HD3 LYS 52 2HD LYS 52 8.190 3.446 -7.385 410 HE2 LYS 52 1HE LYS 52 7.007 5.639 -5.666 411 HE3 LYS 52 2HE LYS 52 8.588 5.028 -5.267 412 HZ1 LYS 52 3HZ LYS 52 7.773 6.106 -7.860 413 HZ2 LYS 52 1HZ LYS 52 8.695 6.867 -6.678 414 HZ3 LYS 52 2HZ LYS 52 9.300 5.516 -7.475 415 H TRP 53 H TRP 53 6.312 0.558 -7.238 416 HA TRP 53 HA TRP 53 9.167 0.184 -6.833 417 HB2 TRP 53 1HB TRP 53 6.682 -0.990 -5.554 418 HB3 TRP 53 2HB TRP 53 8.280 -1.548 -5.117 419 HD1 TRP 53 HD1 TRP 53 5.854 1.161 -4.411 420 HE1 TRP 53 HE1 TRP 53 6.939 3.166 -3.241 421 HE3 TRP 53 HE3 TRP 53 10.633 -0.418 -4.657 422 HZ2 TRP 53 HZ2 TRP 53 9.577 3.970 -2.622 423 HZ3 TRP 53 HZ3 TRP 53 12.453 0.974 -3.698 424 HH2 TRP 53 HH2 TRP 53 11.920 3.188 -2.709 425 H ASP 54 H ASP 54 7.154 -1.309 -9.128 426 HA ASP 54 HA ASP 54 7.069 -3.285 -10.320 427 HB2 ASP 54 1HB ASP 54 9.940 -3.691 -9.650 428 HB3 ASP 54 2HB ASP 54 9.025 -4.062 -11.147 429 H LEU 55 H LEU 55 6.375 -3.514 -7.456 430 HA LEU 55 HA LEU 55 7.964 -5.558 -6.211 431 HB2 LEU 55 1HB LEU 55 6.258 -3.492 -5.452 432 HB3 LEU 55 2HB LEU 55 5.670 -5.020 -4.725 433 HG LEU 55 HG LEU 55 7.750 -5.410 -3.639 434 HD11 LEU 55 1HD1 LEU 55 9.727 -4.002 -3.814 435 HD12 LEU 55 2HD1 LEU 55 9.341 -4.765 -5.376 436 HD13 LEU 55 3HD1 LEU 55 8.954 -3.049 -5.104 437 HD21 LEU 55 3HD2 LEU 55 6.295 -3.702 -2.582 438 HD22 LEU 55 1HD2 LEU 55 8.011 -3.336 -2.288 439 HD23 LEU 55 2HD2 LEU 55 7.105 -2.425 -3.520 440 HA PRO 56 HA PRO 56 5.904 -9.043 -8.150 441 HB2 PRO 56 1HB PRO 56 7.087 -10.993 -6.715 442 HB3 PRO 56 2HB PRO 56 7.921 -10.138 -8.011 443 HG2 PRO 56 1HG PRO 56 8.073 -9.622 -5.001 444 HG3 PRO 56 2HG PRO 56 9.401 -9.742 -6.151 445 HD2 PRO 56 1HD PRO 56 8.350 -7.252 -5.431 446 HD3 PRO 56 2HD PRO 56 8.855 -7.552 -7.163 447 H VAL 57 H VAL 57 4.300 -10.285 -7.896 448 HA VAL 57 HA VAL 57 2.257 -10.902 -7.271 449 HB VAL 57 HB VAL 57 3.783 -12.476 -6.209 450 HG11 VAL 57 1HG1 VAL 57 3.662 -12.745 -3.778 451 HG12 VAL 57 2HG1 VAL 57 4.520 -11.249 -4.216 452 HG13 VAL 57 3HG1 VAL 57 2.839 -11.174 -3.633 453 HG21 VAL 57 3HG2 VAL 57 1.596 -13.006 -6.797 454 HG22 VAL 57 1HG2 VAL 57 1.984 -13.707 -5.208 455 HG23 VAL 57 2HG2 VAL 57 0.953 -12.260 -5.315 456 H ASP 58 H ASP 58 2.979 -7.941 -6.549 457 HA ASP 58 HA ASP 58 2.209 -6.187 -5.356 458 HB2 ASP 58 1HB ASP 58 -0.194 -5.924 -5.290 459 HB3 ASP 58 2HB ASP 58 0.565 -6.254 -6.887 460 H TYR 59 H TYR 59 3.460 -7.406 -3.564 461 HA TYR 59 HA TYR 59 2.394 -8.875 -1.466 462 HB2 TYR 59 1HB TYR 59 4.344 -8.498 -0.410 463 HB3 TYR 59 2HB TYR 59 4.780 -7.906 -2.046 464 HD1 TYR 59 HD1 TYR 59 4.593 -5.351 -2.457 465 HD2 TYR 59 HD2 TYR 59 4.566 -7.123 1.456 466 HE1 TYR 59 HE1 TYR 59 4.883 -3.121 -1.435 467 HE2 TYR 59 HE2 TYR 59 4.768 -4.882 2.474 468 HH TYR 59 HH TYR 59 5.990 -2.298 0.860 469 HA PRO 60 HA PRO 60 -0.492 -6.334 0.864 470 HB2 PRO 60 1HB PRO 60 -0.335 -7.467 3.297 471 HB3 PRO 60 2HB PRO 60 -1.160 -8.239 1.945 472 HG2 PRO 60 1HG PRO 60 1.672 -8.747 2.975 473 HG3 PRO 60 2HG PRO 60 0.442 -9.934 2.543 474 HD2 PRO 60 1HD PRO 60 2.430 -9.162 0.716 475 HD3 PRO 60 2HD PRO 60 0.731 -9.506 0.130 476 H MET 61 H MET 61 -0.132 -4.360 1.163 477 HA MET 61 HA MET 61 2.050 -3.298 2.882 478 HB2 MET 61 1HB MET 61 1.579 -1.248 1.863 479 HB3 MET 61 2HB MET 61 1.966 -2.543 0.680 480 HG2 MET 61 1HG MET 61 -0.830 -1.585 1.288 481 HG3 MET 61 2HG MET 61 0.200 -0.933 -0.029 482 HE1 MET 61 3HE MET 61 1.527 -3.154 -1.522 483 HE2 MET 61 1HE MET 61 0.274 -3.709 -2.657 484 HE3 MET 61 2HE MET 61 0.460 -1.972 -2.316 485 H VAL 62 H VAL 62 0.090 -4.664 4.320 486 HA VAL 62 HA VAL 62 -0.798 -2.462 6.012 487 HB VAL 62 HB VAL 62 -2.572 -4.901 5.929 488 HG11 VAL 62 1HG1 VAL 62 -4.212 -3.234 6.766 489 HG12 VAL 62 2HG1 VAL 62 -2.750 -3.258 7.780 490 HG13 VAL 62 3HG1 VAL 62 -2.991 -1.950 6.598 491 HG21 VAL 62 3HG2 VAL 62 -2.645 -4.233 3.620 492 HG22 VAL 62 1HG2 VAL 62 -4.168 -3.861 4.463 493 HG23 VAL 62 2HG2 VAL 62 -3.012 -2.558 4.097 494 H ALA 63 H ALA 63 -0.965 -3.449 8.406 495 HA ALA 63 HA ALA 63 1.052 -4.755 9.536 496 HB1 ALA 63 3HB ALA 63 -1.855 -5.364 10.098 497 HB2 ALA 63 1HB ALA 63 -0.478 -5.616 11.198 498 HB3 ALA 63 2HB ALA 63 -0.940 -3.967 10.714 499 HA PRO 64 HA PRO 64 2.063 -8.520 7.718 500 HB2 PRO 64 1HB PRO 64 2.872 -9.953 9.883 501 HB3 PRO 64 2HB PRO 64 3.855 -8.737 8.937 502 HG2 PRO 64 1HG PRO 64 2.328 -8.336 11.587 503 HG3 PRO 64 2HG PRO 64 3.950 -7.767 11.200 504 HD2 PRO 64 1HD PRO 64 1.868 -6.057 10.918 505 HD3 PRO 64 2HD PRO 64 3.128 -6.069 9.685 506 H ALA 65 H ALA 65 -0.119 -8.758 10.534 507 HA ALA 65 HA ALA 65 -1.369 -11.110 9.244 508 HB1 ALA 65 3HB ALA 65 -0.960 -10.524 12.188 509 HB2 ALA 65 1HB ALA 65 -1.891 -11.890 11.529 510 HB3 ALA 65 2HB ALA 65 -0.142 -11.774 11.219 511 H TYR 66 H TYR 66 -2.074 -8.338 8.731 512 HA TYR 66 HA TYR 66 -4.256 -7.375 10.307 513 HB2 TYR 66 1HB TYR 66 -3.077 -5.928 8.883 514 HB3 TYR 66 2HB TYR 66 -3.503 -6.899 7.436 515 HD1 TYR 66 HD1 TYR 66 -4.944 -4.674 10.090 516 HD2 TYR 66 HD2 TYR 66 -5.491 -6.521 6.253 517 HE1 TYR 66 HE1 TYR 66 -6.990 -3.324 9.730 518 HE2 TYR 66 HE2 TYR 66 -7.527 -5.166 5.887 519 HH TYR 66 HH TYR 66 -8.174 -2.383 7.577 520 H ALA 67 H ALA 67 -4.414 -9.191 7.212 521 HA ALA 67 HA ALA 67 -6.743 -10.682 7.746 522 HB1 ALA 67 3HB ALA 67 -7.143 -8.259 5.937 523 HB2 ALA 67 1HB ALA 67 -8.292 -9.601 6.150 524 HB3 ALA 67 2HB ALA 67 -7.925 -8.519 7.515 525 H GLU 68 H GLU 68 -7.198 -12.069 6.020 526 HA GLU 68 HA GLU 68 -6.608 -13.521 4.240 527 HB2 GLU 68 1HB GLU 68 -5.817 -10.938 2.963 528 HB3 GLU 68 2HB GLU 68 -5.781 -12.499 2.155 529 HG2 GLU 68 1HG GLU 68 -8.024 -12.357 1.780 530 HG3 GLU 68 2HG GLU 68 -8.348 -12.239 3.488 531 H ALA 69 H ALA 69 -4.310 -13.449 2.501 532 HA ALA 69 HA ALA 69 -2.324 -14.470 2.337 533 HB1 ALA 69 3HB ALA 69 -1.675 -12.318 4.314 534 HB2 ALA 69 1HB ALA 69 -0.496 -13.230 3.342 535 HB3 ALA 69 2HB ALA 69 -1.715 -12.213 2.537 536 H ARG 70 H ARG 70 -3.985 -15.955 4.226 537 HA ARG 70 HA ARG 70 -1.874 -17.511 5.596 538 HB2 ARG 70 1HB ARG 70 -2.590 -15.800 7.163 539 HB3 ARG 70 2HB ARG 70 -4.284 -16.359 6.985 540 HG2 ARG 70 1HG ARG 70 -3.862 -18.362 8.157 541 HG3 ARG 70 2HG ARG 70 -2.121 -18.274 7.895 542 HD2 ARG 70 1HD ARG 70 -3.593 -16.193 9.520 543 HD3 ARG 70 2HD ARG 70 -2.991 -17.718 10.229 544 HE ARG 70 HE ARG 70 -0.824 -16.823 8.897 545 HH11 ARG 70 1HH1 ARG 70 -2.912 -14.574 10.544 546 HH12 ARG 70 2HH1 ARG 70 -1.606 -13.740 11.317 547 HH21 ARG 70 1HH2 ARG 70 0.853 -15.589 9.741 548 HH22 ARG 70 2HH2 ARG 70 0.503 -14.289 10.825 549 H SER 71 H SER 71 -2.191 -18.993 4.047 550 HA SER 71 HA SER 71 -3.067 -20.921 2.968 551 HB2 SER 71 1HB SER 71 -3.129 -21.738 5.204 552 HB3 SER 71 2HB SER 71 -4.832 -21.242 5.309 553 HG SER 71 HG SER 71 -5.332 -22.567 3.475 554 H ARG 72 H ARG 72 -6.195 -20.029 4.383 555 HA ARG 72 HA ARG 72 -7.414 -19.912 1.675 556 HB2 ARG 72 1HB ARG 72 -8.542 -21.120 3.584 557 HB3 ARG 72 2HB ARG 72 -8.705 -19.622 4.440 558 HG2 ARG 72 1HG ARG 72 -10.047 -18.740 2.469 559 HG3 ARG 72 2HG ARG 72 -10.023 -20.381 1.831 560 HD2 ARG 72 1HD ARG 72 -10.804 -20.252 4.695 561 HD3 ARG 72 2HD ARG 72 -11.903 -19.413 3.621 562 HE ARG 72 HE ARG 72 -12.449 -21.410 2.544 563 HH11 ARG 72 1HH1 ARG 72 -9.799 -22.102 4.852 564 HH12 ARG 72 2HH1 ARG 72 -10.228 -23.832 4.923 565 HH21 ARG 72 1HH2 ARG 72 -12.897 -23.588 2.670 566 HH22 ARG 72 2HH2 ARG 72 -11.922 -24.645 3.726 567 H LEU 73 H LEU 73 -5.961 -18.069 1.145 568 HA LEU 73 HA LEU 73 -6.619 -15.364 2.243 569 HB2 LEU 73 1HB LEU 73 -5.189 -14.452 0.675 570 HB3 LEU 73 2HB LEU 73 -4.423 -15.726 1.685 571 HG LEU 73 HG LEU 73 -5.411 -16.615 -0.951 572 HD11 LEU 73 1HD1 LEU 73 -3.462 -15.629 -2.130 573 HD12 LEU 73 2HD1 LEU 73 -4.545 -14.360 -1.511 574 HD13 LEU 73 3HD1 LEU 73 -3.029 -14.729 -0.656 575 HD21 LEU 73 3HD2 LEU 73 -4.111 -18.056 0.594 576 HD22 LEU 73 1HD2 LEU 73 -3.223 -17.774 -0.922 577 HD23 LEU 73 2HD2 LEU 73 -2.770 -16.887 0.553 578 H ALA 74 H ALA 74 -8.669 -14.886 2.019 579 HA ALA 74 HA ALA 74 -10.370 -15.034 -0.292 580 HB1 ALA 74 3HB ALA 74 -10.233 -12.887 1.817 581 HB2 ALA 74 1HB ALA 74 -11.578 -13.196 0.692 582 HB3 ALA 74 2HB ALA 74 -11.145 -14.412 1.918 583 H LYS 75 H LYS 75 -9.820 -14.558 -2.261 584 HA LYS 75 HA LYS 75 -7.974 -12.568 -3.154 585 HB2 LYS 75 1HB LYS 75 -8.770 -14.757 -4.270 586 HB3 LYS 75 2HB LYS 75 -10.145 -13.813 -4.826 587 HG2 LYS 75 1HG LYS 75 -8.439 -12.113 -5.748 588 HG3 LYS 75 2HG LYS 75 -7.203 -13.315 -5.422 589 HD2 LYS 75 1HD LYS 75 -8.560 -14.949 -6.818 590 HD3 LYS 75 2HD LYS 75 -9.575 -13.573 -7.286 591 HE2 LYS 75 1HE LYS 75 -7.442 -12.382 -8.052 592 HE3 LYS 75 2HE LYS 75 -6.572 -13.885 -7.774 593 HZ1 LYS 75 3HZ LYS 75 -8.627 -13.317 -9.712 594 HZ2 LYS 75 1HZ LYS 75 -7.142 -13.939 -9.930 595 HZ3 LYS 75 2HZ LYS 75 -8.327 -14.860 -9.269 596 H GLU 76 H GLU 76 -8.661 -10.642 -2.000 597 HA GLU 76 HA GLU 76 -10.249 -9.012 -3.884 598 HB2 GLU 76 1HB GLU 76 -10.972 -9.513 -1.056 599 HB3 GLU 76 2HB GLU 76 -11.049 -7.842 -1.597 600 HG2 GLU 76 1HG GLU 76 -12.563 -8.448 -3.432 601 HG3 GLU 76 2HG GLU 76 -12.377 -10.155 -3.086 602 H MET 77 H MET 77 -8.343 -8.039 -4.679 603 HA MET 77 HA MET 77 -6.505 -6.575 -3.200 604 HB2 MET 77 1HB MET 77 -6.058 -5.330 -5.209 605 HB3 MET 77 2HB MET 77 -6.223 -7.084 -5.531 606 HG2 MET 77 1HG MET 77 -8.054 -6.754 -6.928 607 HG3 MET 77 2HG MET 77 -8.721 -5.484 -5.949 608 HE1 MET 77 3HE MET 77 -7.607 -6.258 -9.247 609 HE2 MET 77 1HE MET 77 -6.365 -5.083 -9.737 610 HE3 MET 77 2HE MET 77 -5.960 -6.378 -8.586 611 H GLY 78 H GLY 78 -9.857 -5.725 -3.953 612 HA2 GLY 78 1HA GLY 78 -11.021 -4.008 -2.728 613 HA3 GLY 78 2HA GLY 78 -9.557 -3.023 -2.741 614 H LEU 79 H LEU 79 -12.501 -2.993 -3.931 615 HA LEU 79 HA LEU 79 -12.042 -2.368 -6.690 616 HB2 LEU 79 1HB LEU 79 -14.366 -2.708 -4.948 617 HB3 LEU 79 2HB LEU 79 -14.565 -1.350 -6.009 618 HG LEU 79 HG LEU 79 -13.845 -2.877 -7.912 619 HD11 LEU 79 1HD1 LEU 79 -14.140 -5.258 -7.601 620 HD12 LEU 79 2HD1 LEU 79 -12.761 -4.628 -6.669 621 HD13 LEU 79 3HD1 LEU 79 -14.288 -5.019 -5.844 622 HD21 LEU 79 3HD2 LEU 79 -16.175 -2.163 -7.453 623 HD22 LEU 79 1HD2 LEU 79 -16.122 -3.851 -8.017 624 HD23 LEU 79 2HD2 LEU 79 -16.354 -3.498 -6.288 625 H GLY 80 H GLY 80 -12.823 -0.266 -3.815 626 HA2 GLY 80 1HA GLY 80 -12.095 1.972 -3.475 627 HA3 GLY 80 2HA GLY 80 -11.593 2.100 -5.126 628 H GLN 81 H GLN 81 -14.680 1.452 -3.372 629 HA GLN 81 HA GLN 81 -16.115 3.168 -5.315 630 HB2 GLN 81 1HB GLN 81 -16.691 0.668 -4.028 631 HB3 GLN 81 2HB GLN 81 -17.892 1.884 -3.554 632 HG2 GLN 81 1HG GLN 81 -18.501 2.320 -5.847 633 HG3 GLN 81 2HG GLN 81 -17.065 1.531 -6.472 634 HE21 GLN 81 1HE2 GLN 81 -20.337 1.161 -6.068 635 HE22 GLN 81 2HE2 GLN 81 -20.356 -0.581 -6.125 636 H ARG 82 H ARG 82 -15.718 5.114 -4.700 637 HA ARG 82 HA ARG 82 -15.531 6.243 -2.020 638 HB2 ARG 82 1HB ARG 82 -15.508 8.294 -3.037 639 HB3 ARG 82 2HB ARG 82 -14.506 7.137 -3.976 640 HG2 ARG 82 1HG ARG 82 -16.709 6.977 -5.475 641 HG3 ARG 82 2HG ARG 82 -17.049 8.549 -4.780 642 HD2 ARG 82 1HD ARG 82 -15.883 9.165 -6.616 643 HD3 ARG 82 2HD ARG 82 -14.538 9.031 -5.445 644 HE ARG 82 HE ARG 82 -14.334 6.601 -6.315 645 HH11 ARG 82 1HH1 ARG 82 -15.122 9.383 -8.423 646 HH12 ARG 82 2HH1 ARG 82 -14.700 8.474 -9.898 647 HH21 ARG 82 1HH2 ARG 82 -13.795 5.541 -8.206 648 HH22 ARG 82 2HH2 ARG 82 -13.969 6.366 -9.779 649 H ARG 83 H ARG 83 -17.044 5.579 -0.710 650 HA ARG 83 HA ARG 83 -19.486 7.234 -0.553 651 HB2 ARG 83 1HB ARG 83 -21.080 5.398 -0.434 652 HB3 ARG 83 2HB ARG 83 -20.385 5.602 -2.072 653 HG2 ARG 83 1HG ARG 83 -19.540 3.495 -2.076 654 HG3 ARG 83 2HG ARG 83 -18.932 3.632 -0.423 655 HD2 ARG 83 1HD ARG 83 -21.715 3.599 -0.149 656 HD3 ARG 83 2HD ARG 83 -21.350 2.385 -1.414 657 HE ARG 83 HE ARG 83 -19.433 1.794 0.417 658 HH11 ARG 83 1HH1 ARG 83 -22.881 2.479 1.098 659 HH12 ARG 83 2HH1 ARG 83 -22.914 1.321 2.454 660 HH21 ARG 83 1HH2 ARG 83 -19.547 0.413 2.181 661 HH22 ARG 83 2HH2 ARG 83 -21.090 0.194 3.049 662 H LYS 84 H LYS 84 -19.963 7.626 1.437 663 HA LYS 84 HA LYS 84 -19.569 5.502 3.545 664 HB2 LYS 84 1HB LYS 84 -18.598 8.346 3.942 665 HB3 LYS 84 2HB LYS 84 -18.782 7.160 5.204 666 HG2 LYS 84 1HG LYS 84 -17.264 5.668 3.741 667 HG3 LYS 84 2HG LYS 84 -16.859 7.211 2.925 668 HD2 LYS 84 1HD LYS 84 -15.176 6.913 4.600 669 HD3 LYS 84 2HD LYS 84 -16.278 8.100 5.281 670 HE2 LYS 84 1HE LYS 84 -17.330 6.424 6.692 671 HE3 LYS 84 2HE LYS 84 -16.457 5.120 5.889 672 HZ1 LYS 84 3HZ LYS 84 -15.245 7.303 7.441 673 HZ2 LYS 84 1HZ LYS 84 -15.461 5.712 7.944 674 HZ3 LYS 84 2HZ LYS 84 -14.413 6.058 6.675 675 H ALA 85 H ALA 85 -21.767 5.073 3.476 676 HA ALA 85 HA ALA 85 -23.432 6.753 5.169 677 HB1 ALA 85 3HB ALA 85 -24.248 6.184 2.288 678 HB2 ALA 85 1HB ALA 85 -25.283 6.894 3.550 679 HB3 ALA 85 2HB ALA 85 -23.861 7.786 2.960 680 H ASN 86 H ASN 86 -25.119 5.581 6.061 681 HA ASN 86 HA ASN 86 -26.060 3.009 5.351 682 HB2 ASN 86 1HB ASN 86 -23.559 2.476 6.028 683 HB3 ASN 86 2HB ASN 86 -24.198 2.596 7.656 684 HD21 ASN 86 1HD2 ASN 86 -25.676 0.992 8.424 685 HD22 ASN 86 2HD2 ASN 86 -25.951 -0.424 7.449 686 H ARG 87 H ARG 87 -25.011 4.674 8.408 687 HA ARG 87 HA ARG 87 -27.842 4.543 9.406 688 HB2 ARG 87 1HB ARG 87 -26.007 3.240 10.636 689 HB3 ARG 87 2HB ARG 87 -25.323 4.787 11.072 690 HG2 ARG 87 1HG ARG 87 -27.373 5.416 12.285 691 HG3 ARG 87 2HG ARG 87 -28.214 4.014 11.706 692 HD2 ARG 87 1HD ARG 87 -27.528 3.528 13.937 693 HD3 ARG 87 2HD ARG 87 -26.463 2.586 12.937 694 HE ARG 87 HE ARG 87 -24.701 3.887 13.539 695 HH11 ARG 87 1HH1 ARG 87 -27.604 5.454 14.798 696 HH12 ARG 87 2HH1 ARG 87 -26.720 6.369 15.974 697 HH21 ARG 87 1HH2 ARG 87 -23.612 5.134 15.102 698 HH22 ARG 87 2HH2 ARG 87 -24.517 6.210 16.108
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