NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
473385 | 2jww | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 1 HA SER 1 5.454 -8.269 8.790 2 HG SER 1 HG SER 1 8.721 -8.503 8.749 3 H1 SER 1 HT1 SER 1 4.900 -11.123 9.345 4 H2 SER 1 HT2 SER 1 3.756 -9.882 9.258 5 H3 SER 1 HT3 SER 1 4.910 -9.882 10.494 6 HB2 SER 1 HB2 SER 1 7.275 -9.317 10.052 7 HB3 SER 1 HB1 SER 1 7.325 -10.650 8.899 8 H MET 2 HN MET 2 6.649 -8.139 6.624 9 HA MET 2 HA MET 2 5.490 -10.028 4.690 10 HB2 MET 2 HB2 MET 2 4.229 -7.834 4.843 11 HB3 MET 2 HB1 MET 2 5.676 -7.052 4.226 12 HG2 MET 2 HG2 MET 2 3.957 -7.502 2.503 13 HG3 MET 2 HG1 MET 2 5.523 -8.234 2.163 14 HE1 MET 2 HE1 MET 2 2.536 -8.980 4.400 15 HE2 MET 2 HE2 MET 2 3.588 -10.274 4.973 16 HE3 MET 2 HE3 MET 2 2.127 -10.660 4.062 17 H THR 3 HN THR 3 7.943 -10.530 5.463 18 HA THR 3 HA THR 3 9.760 -9.251 3.535 19 HB THR 3 HB THR 3 11.591 -10.253 4.917 20 HG1 THR 3 HG1 THR 3 10.951 -10.995 7.025 21 HG21 THR 3 HG21 THR 3 10.914 -7.924 5.239 22 HG22 THR 3 HG22 THR 3 11.381 -8.660 6.774 23 HG23 THR 3 HG23 THR 3 9.675 -8.434 6.386 24 H ASP 4 HN ASP 4 8.321 -12.277 4.473 25 HA ASP 4 HA ASP 4 10.104 -13.961 3.009 26 HB2 ASP 4 HB2 ASP 4 7.266 -14.553 3.875 27 HB3 ASP 4 HB1 ASP 4 8.503 -15.728 3.438 28 H LEU 5 HN LEU 5 7.367 -12.032 2.201 29 HA LEU 5 HA LEU 5 7.155 -13.329 -0.426 30 HG LEU 5 HG LEU 5 3.711 -13.479 0.914 31 HB2 LEU 5 HB2 LEU 5 5.236 -11.420 0.902 32 HB3 LEU 5 HB1 LEU 5 4.971 -12.263 -0.609 33 HD11 LEU 5 HD11 LEU 5 4.982 -15.598 1.335 34 HD12 LEU 5 HD12 LEU 5 6.400 -14.770 0.690 35 HD13 LEU 5 HD13 LEU 5 4.988 -15.024 -0.333 36 HD21 LEU 5 HD21 LEU 5 4.427 -14.123 3.143 37 HD22 LEU 5 HD22 LEU 5 4.509 -12.375 2.941 38 HD23 LEU 5 HD23 LEU 5 5.980 -13.336 2.885 39 H LEU 6 HN LEU 6 6.736 -10.044 0.898 40 HA LEU 6 HA LEU 6 7.596 -8.846 -1.572 41 HG LEU 6 HG LEU 6 4.977 -8.480 0.182 42 HB2 LEU 6 HB2 LEU 6 7.037 -7.627 1.133 43 HB3 LEU 6 HB1 LEU 6 7.362 -6.716 -0.328 44 HD11 LEU 6 HD11 LEU 6 3.709 -6.435 0.078 45 HD12 LEU 6 HD12 LEU 6 5.179 -5.518 -0.234 46 HD13 LEU 6 HD13 LEU 6 4.951 -6.307 1.324 47 HD21 LEU 6 HD21 LEU 6 5.657 -8.671 -2.135 48 HD22 LEU 6 HD22 LEU 6 5.766 -6.914 -2.267 49 HD23 LEU 6 HD23 LEU 6 4.198 -7.685 -2.016 50 H SER 7 HN SER 7 9.522 -7.814 -1.994 51 HA SER 7 HA SER 7 11.849 -8.774 -0.849 52 HG SER 7 HG SER 7 10.553 -6.433 -3.375 53 HB2 SER 7 HB2 SER 7 12.863 -6.602 -1.869 54 HB3 SER 7 HB1 SER 7 12.127 -7.785 -2.949 55 H ALA 8 HN ALA 8 12.416 -8.585 1.222 56 HA ALA 8 HA ALA 8 11.450 -6.703 3.039 57 HB1 ALA 8 HB1 ALA 8 12.450 -8.862 3.666 58 HB2 ALA 8 HB2 ALA 8 13.150 -7.512 4.558 59 HB3 ALA 8 HB3 ALA 8 14.038 -8.239 3.221 60 H GLU 9 HN GLU 9 14.454 -6.726 1.179 61 HA GLU 9 HA GLU 9 15.596 -4.432 2.344 62 HB2 GLU 9 HB2 GLU 9 17.029 -5.863 1.138 63 HB3 GLU 9 HB1 GLU 9 15.991 -5.845 -0.279 64 HG2 GLU 9 HG2 GLU 9 16.542 -3.462 -0.581 65 HG3 GLU 9 HG1 GLU 9 17.697 -3.592 0.745 66 H ASP 10 HN ASP 10 13.715 -4.820 -0.644 67 HA ASP 10 HA ASP 10 13.762 -2.239 -1.605 68 HB2 ASP 10 HB2 ASP 10 11.499 -4.226 -1.601 69 HB3 ASP 10 HB1 ASP 10 11.553 -2.789 -2.621 70 H ILE 11 HN ILE 11 11.309 -3.648 0.531 71 HA ILE 11 HA ILE 11 9.764 -1.363 0.931 72 HB ILE 11 HB ILE 11 10.279 -3.640 2.834 73 HG12 ILE 11 HG12 ILE 11 7.833 -3.410 1.136 74 HG13 ILE 11 HG11 ILE 11 9.319 -4.030 0.420 75 HG21 ILE 11 HG21 ILE 11 8.042 -3.030 3.758 76 HG22 ILE 11 HG22 ILE 11 8.075 -1.581 2.749 77 HG23 ILE 11 HG23 ILE 11 9.280 -1.801 4.021 78 HD11 ILE 11 HD11 ILE 11 7.700 -5.729 1.329 79 HD12 ILE 11 HD12 ILE 11 8.136 -5.154 2.936 80 HD13 ILE 11 HD13 ILE 11 9.364 -5.866 1.889 81 H LYS 12 HN LYS 12 12.743 -2.395 2.473 82 HA LYS 12 HA LYS 12 12.601 -0.530 4.612 83 HB2 LYS 12 HB2 LYS 12 14.024 -2.511 4.749 84 HB3 LYS 12 HB1 LYS 12 14.991 -1.932 3.399 85 HG2 LYS 12 HG2 LYS 12 15.647 0.024 4.753 86 HG3 LYS 12 HG1 LYS 12 14.749 -0.653 6.111 87 HD2 LYS 12 HD2 LYS 12 16.186 -2.621 6.099 88 HD3 LYS 12 HD1 LYS 12 17.062 -1.987 4.703 89 HE2 LYS 12 HE2 LYS 12 18.280 -1.599 6.794 90 HE3 LYS 12 HE1 LYS 12 17.819 -0.088 6.015 91 HZ1 LYS 12 HZ1 LYS 12 17.424 -0.039 8.405 92 HZ2 LYS 12 HZ2 LYS 12 16.372 -1.357 8.277 93 HZ3 LYS 12 HZ3 LYS 12 15.974 0.115 7.546 94 H LYS 13 HN LYS 13 14.243 -0.499 1.451 95 HA LYS 13 HA LYS 13 15.398 2.088 1.829 96 HB2 LYS 13 HB2 LYS 13 14.856 0.584 -0.734 97 HB3 LYS 13 HB1 LYS 13 15.904 1.985 -0.568 98 HG2 LYS 13 HG2 LYS 13 17.619 0.735 0.059 99 HG3 LYS 13 HG1 LYS 13 16.651 -0.119 1.261 100 HD2 LYS 13 HD2 LYS 13 17.618 -1.573 -0.546 101 HD3 LYS 13 HD1 LYS 13 15.870 -1.678 -0.355 102 HE2 LYS 13 HE2 LYS 13 16.749 -1.555 -2.730 103 HE3 LYS 13 HE1 LYS 13 15.464 -0.425 -2.299 104 HZ1 LYS 13 HZ1 LYS 13 18.370 0.205 -2.399 105 HZ2 LYS 13 HZ2 LYS 13 17.143 1.293 -1.988 106 HZ3 LYS 13 HZ3 LYS 13 17.221 0.661 -3.554 107 H ALA 14 HN ALA 14 12.700 0.887 -0.134 108 HA ALA 14 HA ALA 14 11.903 3.302 -1.234 109 HB1 ALA 14 HB1 ALA 14 9.960 1.137 -0.509 110 HB2 ALA 14 HB2 ALA 14 11.149 0.933 -1.795 111 HB3 ALA 14 HB3 ALA 14 9.945 2.216 -1.904 112 H ILE 15 HN ILE 15 11.040 1.855 1.863 113 HA ILE 15 HA ILE 15 9.047 3.785 2.450 114 HB ILE 15 HB ILE 15 10.343 1.660 4.081 115 HG12 ILE 15 HG12 ILE 15 7.686 2.269 2.832 116 HG13 ILE 15 HG11 ILE 15 8.785 0.962 2.431 117 HG21 ILE 15 HG21 ILE 15 8.896 2.172 5.931 118 HG22 ILE 15 HG22 ILE 15 8.162 3.507 5.047 119 HG23 ILE 15 HG23 ILE 15 9.843 3.616 5.572 120 HD11 ILE 15 HD11 ILE 15 7.124 -0.112 3.607 121 HD12 ILE 15 HD12 ILE 15 6.892 1.263 4.688 122 HD13 ILE 15 HD13 ILE 15 8.301 0.215 4.885 123 H GLY 16 HN GLY 16 12.373 3.297 3.676 124 HA2 GLY 16 HA2 GLY 16 12.238 5.786 5.163 125 HA3 GLY 16 HA1 GLY 16 13.572 4.650 5.153 126 H ALA 17 HN ALA 17 13.001 5.110 1.961 127 HA ALA 17 HA ALA 17 15.144 7.085 1.827 128 HB1 ALA 17 HB1 ALA 17 15.357 6.480 -0.508 129 HB2 ALA 17 HB2 ALA 17 13.902 5.488 -0.405 130 HB3 ALA 17 HB3 ALA 17 15.347 5.033 0.500 131 H PHE 18 HN PHE 18 11.729 6.885 1.262 132 HA PHE 18 HA PHE 18 11.818 9.550 0.005 133 HD1 PHE 18 HD2 PHE 18 12.727 7.908 -1.632 134 HD2 PHE 18 HD1 PHE 18 8.902 6.060 -1.417 135 HE1 PHE 18 HE2 PHE 18 13.560 6.033 -2.989 136 HE2 PHE 18 HE1 PHE 18 9.721 4.186 -2.772 137 HZ PHE 18 HZ PHE 18 12.057 4.166 -3.561 138 HB2 PHE 18 HB2 PHE 18 9.338 7.918 -0.122 139 HB3 PHE 18 HB1 PHE 18 9.995 9.055 -1.284 140 H THR 19 HN THR 19 11.555 11.009 1.596 141 HA THR 19 HA THR 19 9.616 10.508 3.715 142 HB THR 19 HB THR 19 11.801 11.466 4.342 143 HG1 THR 19 HG1 THR 19 9.475 13.052 4.731 144 HG21 THR 19 HG21 THR 19 12.152 12.792 2.269 145 HG22 THR 19 HG22 THR 19 12.406 13.726 3.741 146 HG23 THR 19 HG23 THR 19 10.916 13.922 2.822 147 H ALA 20 HN ALA 20 10.258 12.889 1.184 148 HA ALA 20 HA ALA 20 7.594 14.037 1.483 149 HB1 ALA 20 HB1 ALA 20 9.950 15.020 -0.119 150 HB2 ALA 20 HB2 ALA 20 9.483 15.590 1.483 151 HB3 ALA 20 HB3 ALA 20 8.418 15.865 0.103 152 H ALA 21 HN ALA 21 9.748 12.655 -0.990 153 HA ALA 21 HA ALA 21 8.185 12.878 -3.231 154 HB1 ALA 21 HB1 ALA 21 9.956 10.576 -2.450 155 HB2 ALA 21 HB2 ALA 21 10.425 12.013 -3.354 156 HB3 ALA 21 HB3 ALA 21 9.316 10.844 -4.069 157 H ASP 22 HN ASP 22 8.289 9.910 -1.285 158 HA ASP 22 HA ASP 22 5.989 8.767 -2.405 159 HB2 ASP 22 HB2 ASP 22 6.016 7.223 -0.538 160 HB3 ASP 22 HB1 ASP 22 7.676 7.525 -1.039 161 H SER 23 HN SER 23 6.481 11.113 0.096 162 HA SER 23 HA SER 23 4.081 11.073 1.460 163 HG SER 23 HG SER 23 3.919 13.699 2.533 164 HB2 SER 23 HB2 SER 23 6.323 12.592 1.553 165 HB3 SER 23 HB1 SER 23 5.218 13.724 0.779 166 H PHE 24 HN PHE 24 4.823 12.106 -1.760 167 HA PHE 24 HA PHE 24 2.285 13.492 -2.095 168 HD1 PHE 24 HD1 PHE 24 3.373 12.333 -5.879 169 HD2 PHE 24 HD2 PHE 24 2.485 16.001 -3.914 170 HE1 PHE 24 HE1 PHE 24 2.061 13.054 -7.830 171 HE2 PHE 24 HE2 PHE 24 1.169 16.730 -5.861 172 HZ PHE 24 HZ PHE 24 0.955 15.256 -7.822 173 HB2 PHE 24 HB2 PHE 24 4.207 14.555 -3.090 174 HB3 PHE 24 HB1 PHE 24 4.645 13.075 -3.938 175 H ASP 25 HN ASP 25 4.038 10.785 -3.636 176 HA ASP 25 HA ASP 25 1.478 9.463 -4.102 177 HB2 ASP 25 HB2 ASP 25 2.136 10.858 -6.141 178 HB3 ASP 25 HB1 ASP 25 3.468 9.722 -6.353 179 H HIS 26 HN HIS 26 1.814 7.626 -2.989 180 HA HIS 26 HA HIS 26 4.371 6.398 -2.734 181 HD1 HIS 26 HD1 HIS 26 3.227 7.941 -0.594 182 HD2 HIS 26 HD2 HIS 26 3.720 3.962 0.493 183 HE1 HIS 26 HE1 HIS 26 4.275 7.995 1.690 184 HE2 HIS 26 HE2 HIS 26 4.489 5.576 2.363 185 HB2 HIS 26 HB2 HIS 26 1.620 5.801 -1.816 186 HB3 HIS 26 HB1 HIS 26 2.703 4.423 -1.962 187 H LYS 27 HN LYS 27 2.119 6.347 -5.285 188 HA LYS 27 HA LYS 27 2.120 3.814 -6.258 189 HB2 LYS 27 HB2 LYS 27 2.323 6.451 -7.675 190 HB3 LYS 27 HB1 LYS 27 2.228 4.947 -8.551 191 HG2 LYS 27 HG2 LYS 27 0.166 5.026 -6.584 192 HG3 LYS 27 HG1 LYS 27 0.124 6.499 -7.557 193 HD2 LYS 27 HD2 LYS 27 0.278 3.728 -8.696 194 HD3 LYS 27 HD1 LYS 27 -1.235 4.606 -8.476 195 HE2 LYS 27 HE2 LYS 27 -0.238 6.432 -9.898 196 HE3 LYS 27 HE1 LYS 27 1.092 5.328 -10.247 197 HZ1 LYS 27 HZ1 LYS 27 -0.509 3.765 -11.179 198 HZ2 LYS 27 HZ2 LYS 27 -0.566 5.250 -11.985 199 HZ3 LYS 27 HZ3 LYS 27 -1.771 4.848 -10.870 200 H LYS 28 HN LYS 28 4.594 6.288 -6.905 201 HA LYS 28 HA LYS 28 6.356 4.650 -8.340 202 HB2 LYS 28 HB2 LYS 28 6.583 7.091 -8.271 203 HB3 LYS 28 HB1 LYS 28 6.921 7.027 -6.547 204 HG2 LYS 28 HG2 LYS 28 9.051 7.164 -7.261 205 HG3 LYS 28 HG1 LYS 28 8.871 5.419 -7.444 206 HD2 LYS 28 HD2 LYS 28 8.536 7.505 -9.597 207 HD3 LYS 28 HD1 LYS 28 9.858 6.347 -9.447 208 HE2 LYS 28 HE2 LYS 28 8.286 4.506 -9.770 209 HE3 LYS 28 HE1 LYS 28 6.956 5.656 -9.895 210 HZ1 LYS 28 HZ1 LYS 28 7.976 6.579 -11.873 211 HZ2 LYS 28 HZ2 LYS 28 7.726 4.918 -12.070 212 HZ3 LYS 28 HZ3 LYS 28 9.278 5.505 -11.743 213 H PHE 29 HN PHE 29 6.095 5.416 -4.912 214 HA PHE 29 HA PHE 29 8.234 3.909 -3.963 215 HD1 PHE 29 HD2 PHE 29 8.759 3.581 -1.198 216 HD2 PHE 29 HD1 PHE 29 4.520 3.317 -1.446 217 HE1 PHE 29 HE2 PHE 29 8.745 2.039 0.720 218 HE2 PHE 29 HE1 PHE 29 4.501 1.777 0.471 219 HZ PHE 29 HZ PHE 29 6.613 1.136 1.555 220 HB2 PHE 29 HB2 PHE 29 7.274 5.329 -2.379 221 HB3 PHE 29 HB1 PHE 29 5.636 4.840 -2.781 222 H PHE 30 HN PHE 30 4.982 3.002 -4.892 223 HA PHE 30 HA PHE 30 4.841 0.422 -3.872 224 HD1 PHE 30 HD1 PHE 30 3.204 -1.696 -5.707 225 HD2 PHE 30 HD2 PHE 30 1.641 1.838 -3.924 226 HE1 PHE 30 HE1 PHE 30 1.437 -3.025 -4.629 227 HE2 PHE 30 HE2 PHE 30 -0.128 0.514 -2.842 228 HZ PHE 30 HZ PHE 30 -0.232 -1.921 -3.195 229 HB2 PHE 30 HB2 PHE 30 3.298 2.005 -5.566 230 HB3 PHE 30 HB1 PHE 30 3.735 0.624 -6.563 231 H GLN 31 HN GLN 31 6.608 1.712 -6.563 232 HA GLN 31 HA GLN 31 7.270 -0.881 -7.642 233 HB2 GLN 31 HB2 GLN 31 8.519 1.766 -8.360 234 HB3 GLN 31 HB1 GLN 31 8.454 0.310 -9.342 235 HG2 GLN 31 HG2 GLN 31 5.996 0.577 -9.471 236 HG3 GLN 31 HG1 GLN 31 6.153 2.092 -8.586 237 HE21 GLN 31 HE21 GLN 31 5.282 3.272 -10.287 238 HE22 GLN 31 HE22 GLN 31 6.171 3.592 -11.734 239 H MET 32 HN MET 32 8.906 1.698 -5.856 240 HA MET 32 HA MET 32 11.434 0.394 -5.762 241 HB2 MET 32 HB2 MET 32 10.371 2.560 -3.957 242 HB3 MET 32 HB1 MET 32 12.060 2.123 -4.190 243 HG2 MET 32 HG2 MET 32 10.194 3.367 -6.183 244 HG3 MET 32 HG1 MET 32 11.630 4.076 -5.453 245 HE1 MET 32 HE1 MET 32 12.366 4.792 -7.934 246 HE2 MET 32 HE2 MET 32 10.974 3.970 -8.637 247 HE3 MET 32 HE3 MET 32 12.594 3.641 -9.251 248 H VAL 33 HN VAL 33 8.608 0.409 -3.714 249 HA VAL 33 HA VAL 33 9.770 -0.735 -1.410 250 HB VAL 33 HB VAL 33 7.596 0.385 -1.327 251 HG11 VAL 33 HG11 VAL 33 6.346 -1.988 -2.651 252 HG12 VAL 33 HG12 VAL 33 6.937 -0.635 -3.606 253 HG13 VAL 33 HG13 VAL 33 5.686 -0.376 -2.392 254 HG21 VAL 33 HG21 VAL 33 7.868 -1.041 0.487 255 HG22 VAL 33 HG22 VAL 33 7.726 -2.478 -0.521 256 HG23 VAL 33 HG23 VAL 33 6.301 -1.509 -0.172 257 H GLY 34 HN GLY 34 8.706 -2.049 -4.406 258 HA2 GLY 34 HA2 GLY 34 9.348 -4.158 -5.230 259 HA3 GLY 34 HA1 GLY 34 9.687 -4.670 -3.586 260 H LEU 35 HN LEU 35 6.661 -3.110 -4.208 261 HA LEU 35 HA LEU 35 5.210 -5.417 -3.350 262 HG LEU 35 HG LEU 35 4.901 -3.578 -1.775 263 HB2 LEU 35 HB2 LEU 35 4.466 -2.674 -4.272 264 HB3 LEU 35 HB1 LEU 35 3.231 -3.913 -4.197 265 HD11 LEU 35 HD11 LEU 35 4.185 -1.526 -1.157 266 HD12 LEU 35 HD12 LEU 35 2.628 -1.712 -1.961 267 HD13 LEU 35 HD13 LEU 35 4.053 -1.271 -2.898 268 HD21 LEU 35 HD21 LEU 35 3.193 -5.212 -1.707 269 HD22 LEU 35 HD22 LEU 35 2.014 -4.106 -2.408 270 HD23 LEU 35 HD23 LEU 35 2.601 -3.844 -0.765 271 H LYS 36 HN LYS 36 6.089 -4.016 -6.412 272 HA LYS 36 HA LYS 36 4.273 -5.644 -7.919 273 HB2 LYS 36 HB2 LYS 36 6.624 -4.126 -8.980 274 HB3 LYS 36 HB1 LYS 36 5.132 -4.525 -9.803 275 HG2 LYS 36 HG2 LYS 36 4.024 -3.031 -8.079 276 HG3 LYS 36 HG1 LYS 36 5.656 -2.464 -7.707 277 HD2 LYS 36 HD2 LYS 36 4.434 -2.483 -10.436 278 HD3 LYS 36 HD1 LYS 36 4.528 -1.050 -9.401 279 HE2 LYS 36 HE2 LYS 36 6.908 -1.114 -9.484 280 HE3 LYS 36 HE1 LYS 36 6.903 -2.658 -10.323 281 HZ1 LYS 36 HZ1 LYS 36 5.865 -1.576 -12.216 282 HZ2 LYS 36 HZ2 LYS 36 7.328 -0.818 -11.832 283 HZ3 LYS 36 HZ3 LYS 36 5.862 -0.092 -11.402 284 H LYS 37 HN LYS 37 7.492 -5.870 -6.664 285 HA LYS 37 HA LYS 37 8.780 -7.575 -8.390 286 HB2 LYS 37 HB2 LYS 37 9.623 -6.538 -6.198 287 HB3 LYS 37 HB1 LYS 37 8.914 -7.931 -5.393 288 HG2 LYS 37 HG2 LYS 37 10.768 -8.408 -7.666 289 HG3 LYS 37 HG1 LYS 37 11.440 -7.891 -6.121 290 HD2 LYS 37 HD2 LYS 37 9.604 -10.256 -6.487 291 HD3 LYS 37 HD1 LYS 37 11.364 -10.357 -6.392 292 HE2 LYS 37 HE2 LYS 37 11.212 -9.233 -4.155 293 HE3 LYS 37 HE1 LYS 37 9.461 -9.412 -4.256 294 HZ1 LYS 37 HZ1 LYS 37 11.476 -11.586 -4.195 295 HZ2 LYS 37 HZ2 LYS 37 9.833 -11.835 -4.503 296 HZ3 LYS 37 HZ3 LYS 37 10.328 -11.223 -3.006 297 H LYS 38 HN LYS 38 6.169 -8.252 -6.195 298 HA LYS 38 HA LYS 38 6.216 -11.075 -7.030 299 HB2 LYS 38 HB2 LYS 38 4.978 -9.864 -4.550 300 HB3 LYS 38 HB1 LYS 38 4.943 -11.565 -4.986 301 HG2 LYS 38 HG2 LYS 38 7.590 -10.249 -4.754 302 HG3 LYS 38 HG1 LYS 38 6.696 -10.599 -3.273 303 HD2 LYS 38 HD2 LYS 38 8.153 -12.453 -3.765 304 HD3 LYS 38 HD1 LYS 38 6.483 -12.955 -4.019 305 HE2 LYS 38 HE2 LYS 38 6.701 -12.826 -6.367 306 HE3 LYS 38 HE1 LYS 38 8.234 -11.963 -6.250 307 HZ1 LYS 38 HZ1 LYS 38 8.534 -14.298 -6.843 308 HZ2 LYS 38 HZ2 LYS 38 7.780 -14.776 -5.406 309 HZ3 LYS 38 HZ3 LYS 38 9.254 -13.949 -5.351 310 H SER 39 HN SER 39 3.701 -11.865 -6.442 311 HA SER 39 HA SER 39 2.122 -10.362 -8.389 312 HG SER 39 HG SER 39 2.746 -13.780 -8.864 313 HB2 SER 39 HB2 SER 39 1.715 -13.102 -7.170 314 HB3 SER 39 HB1 SER 39 0.623 -12.360 -8.340 315 H ALA 40 HN ALA 40 -0.379 -10.513 -7.854 316 HA ALA 40 HA ALA 40 -0.892 -8.751 -5.769 317 HB1 ALA 40 HB1 ALA 40 -3.306 -9.776 -6.052 318 HB2 ALA 40 HB2 ALA 40 -2.560 -10.534 -7.463 319 HB3 ALA 40 HB3 ALA 40 -2.579 -8.777 -7.311 320 H ASP 41 HN ASP 41 -0.992 -12.277 -5.841 321 HA ASP 41 HA ASP 41 -2.214 -12.721 -3.366 322 HB2 ASP 41 HB2 ASP 41 -1.112 -14.949 -3.448 323 HB3 ASP 41 HB1 ASP 41 -1.919 -14.525 -4.953 324 H ASP 42 HN ASP 42 1.250 -12.501 -4.171 325 HA ASP 42 HA ASP 42 2.244 -12.907 -1.589 326 HB2 ASP 42 HB2 ASP 42 3.406 -11.271 -3.852 327 HB3 ASP 42 HB1 ASP 42 4.292 -11.767 -2.413 328 H VAL 43 HN VAL 43 1.613 -9.829 -3.290 329 HA VAL 43 HA VAL 43 2.268 -8.129 -1.154 330 HB VAL 43 HB VAL 43 0.897 -6.425 -2.316 331 HG11 VAL 43 HG11 VAL 43 2.813 -8.098 -3.910 332 HG12 VAL 43 HG12 VAL 43 3.094 -6.541 -3.125 333 HG13 VAL 43 HG13 VAL 43 2.095 -6.632 -4.575 334 HG21 VAL 43 HG21 VAL 43 0.156 -8.704 -4.142 335 HG22 VAL 43 HG22 VAL 43 -0.231 -7.006 -4.413 336 HG23 VAL 43 HG23 VAL 43 -0.929 -7.862 -3.038 337 H LYS 44 HN LYS 44 -0.727 -9.723 -2.062 338 HA LYS 44 HA LYS 44 -2.480 -8.464 -0.294 339 HB2 LYS 44 HB2 LYS 44 -3.303 -9.787 -2.123 340 HB3 LYS 44 HB1 LYS 44 -2.511 -11.226 -1.498 341 HG2 LYS 44 HG2 LYS 44 -4.043 -11.420 0.280 342 HG3 LYS 44 HG1 LYS 44 -4.634 -9.776 0.046 343 HD2 LYS 44 HD2 LYS 44 -6.027 -10.364 -1.625 344 HD3 LYS 44 HD1 LYS 44 -4.920 -11.574 -2.264 345 HE2 LYS 44 HE2 LYS 44 -6.557 -11.908 0.244 346 HE3 LYS 44 HE1 LYS 44 -7.024 -12.524 -1.341 347 HZ1 LYS 44 HZ1 LYS 44 -5.978 -14.244 -0.035 348 HZ2 LYS 44 HZ2 LYS 44 -4.596 -13.294 0.185 349 HZ3 LYS 44 HZ3 LYS 44 -4.995 -13.859 -1.358 350 H LYS 45 HN LYS 45 -0.046 -10.841 0.257 351 HA LYS 45 HA LYS 45 -1.051 -12.164 2.500 352 HB2 LYS 45 HB2 LYS 45 1.839 -11.437 1.979 353 HB3 LYS 45 HB1 LYS 45 1.253 -12.727 3.022 354 HG2 LYS 45 HG2 LYS 45 0.138 -13.109 0.442 355 HG3 LYS 45 HG1 LYS 45 1.868 -12.823 0.269 356 HD2 LYS 45 HD2 LYS 45 2.389 -14.614 1.750 357 HD3 LYS 45 HD1 LYS 45 0.695 -14.816 2.194 358 HE2 LYS 45 HE2 LYS 45 1.876 -15.279 -0.542 359 HE3 LYS 45 HE1 LYS 45 1.440 -16.537 0.614 360 HZ1 LYS 45 HZ1 LYS 45 -0.426 -14.613 -0.667 361 HZ2 LYS 45 HZ2 LYS 45 -0.863 -15.767 0.490 362 HZ3 LYS 45 HZ3 LYS 45 -0.291 -16.261 -1.022 363 H VAL 46 HN VAL 46 0.482 -9.037 2.119 364 HA VAL 46 HA VAL 46 0.615 -8.565 4.954 365 HB VAL 46 HB VAL 46 2.123 -7.540 3.078 366 HG11 VAL 46 HG11 VAL 46 1.496 -5.559 2.054 367 HG12 VAL 46 HG12 VAL 46 0.174 -5.277 3.188 368 HG13 VAL 46 HG13 VAL 46 0.023 -6.524 1.956 369 HG21 VAL 46 HG21 VAL 46 2.606 -5.621 4.508 370 HG22 VAL 46 HG22 VAL 46 2.353 -7.094 5.445 371 HG23 VAL 46 HG23 VAL 46 1.081 -5.876 5.360 372 H PHE 47 HN PHE 47 -1.601 -8.029 2.329 373 HA PHE 47 HA PHE 47 -3.183 -6.023 3.405 374 HD1 PHE 47 HD1 PHE 47 -5.262 -4.910 2.241 375 HD2 PHE 47 HD2 PHE 47 -6.024 -9.061 1.741 376 HE1 PHE 47 HE1 PHE 47 -7.681 -4.483 2.401 377 HE2 PHE 47 HE2 PHE 47 -8.439 -8.643 1.906 378 HZ PHE 47 HZ PHE 47 -9.268 -6.352 2.238 379 HB2 PHE 47 HB2 PHE 47 -3.591 -6.623 1.143 380 HB3 PHE 47 HB1 PHE 47 -3.878 -8.297 1.580 381 H HIS 48 HN HIS 48 -3.102 -9.469 4.024 382 HA HIS 48 HA HIS 48 -5.473 -9.490 5.620 383 HD1 HIS 48 HD1 HIS 48 -3.205 -12.668 7.706 384 HD2 HIS 48 HD2 HIS 48 -7.029 -11.930 6.255 385 HE1 HIS 48 HE1 HIS 48 -4.763 -13.855 9.283 386 HE2 HIS 48 HE2 HIS 48 -7.073 -13.299 8.450 387 HB2 HIS 48 HB2 HIS 48 -4.633 -11.553 4.573 388 HB3 HIS 48 HB1 HIS 48 -3.163 -11.454 5.539 389 H ILE 49 HN ILE 49 -2.108 -8.854 6.123 390 HA ILE 49 HA ILE 49 -2.070 -9.000 8.959 391 HB ILE 49 HB ILE 49 -0.320 -7.327 7.155 392 HG12 ILE 49 HG12 ILE 49 -0.288 -9.640 6.395 393 HG13 ILE 49 HG11 ILE 49 1.241 -9.244 7.172 394 HG21 ILE 49 HG21 ILE 49 -0.118 -6.732 9.487 395 HG22 ILE 49 HG22 ILE 49 1.335 -7.582 8.964 396 HG23 ILE 49 HG23 ILE 49 0.122 -8.423 9.930 397 HD11 ILE 49 HD11 ILE 49 0.544 -10.409 9.177 398 HD12 ILE 49 HD12 ILE 49 0.442 -11.469 7.772 399 HD13 ILE 49 HD13 ILE 49 -1.023 -10.758 8.449 400 H LEU 50 HN LEU 50 -2.353 -6.352 6.625 401 HA LEU 50 HA LEU 50 -2.814 -4.401 8.687 402 HG LEU 50 HG LEU 50 -3.282 -5.196 5.148 403 HB2 LEU 50 HB2 LEU 50 -2.823 -2.832 6.876 404 HB3 LEU 50 HB1 LEU 50 -1.495 -3.949 6.673 405 HD11 LEU 50 HD11 LEU 50 -4.011 -2.291 4.811 406 HD12 LEU 50 HD12 LEU 50 -5.023 -3.479 5.627 407 HD13 LEU 50 HD13 LEU 50 -4.656 -3.664 3.913 408 HD21 LEU 50 HD21 LEU 50 -2.244 -4.106 3.230 409 HD22 LEU 50 HD22 LEU 50 -1.051 -4.471 4.475 410 HD23 LEU 50 HD23 LEU 50 -1.641 -2.821 4.277 411 H ASP 51 HN ASP 51 -4.750 -5.966 6.139 412 HA ASP 51 HA ASP 51 -7.120 -4.494 6.926 413 HB2 ASP 51 HB2 ASP 51 -6.480 -5.160 4.537 414 HB3 ASP 51 HB1 ASP 51 -7.043 -6.756 4.998 415 H LYS 52 HN LYS 52 -6.328 -5.855 9.103 416 HA LYS 52 HA LYS 52 -7.431 -8.469 9.268 417 HB2 LYS 52 HB2 LYS 52 -6.725 -8.526 11.486 418 HB3 LYS 52 HB1 LYS 52 -5.549 -7.499 10.688 419 HG2 LYS 52 HG2 LYS 52 -7.879 -6.413 12.252 420 HG3 LYS 52 HG1 LYS 52 -6.315 -6.768 12.965 421 HD2 LYS 52 HD2 LYS 52 -6.740 -4.860 10.667 422 HD3 LYS 52 HD1 LYS 52 -6.590 -4.385 12.355 423 HE2 LYS 52 HE2 LYS 52 -4.355 -5.366 12.434 424 HE3 LYS 52 HE1 LYS 52 -4.512 -5.858 10.750 425 HZ1 LYS 52 HZ1 LYS 52 -4.532 -3.059 11.741 426 HZ2 LYS 52 HZ2 LYS 52 -4.686 -3.529 10.124 427 HZ3 LYS 52 HZ3 LYS 52 -3.241 -3.819 10.954 428 H ASP 53 HN ASP 53 -8.568 -5.336 10.580 429 HA ASP 53 HA ASP 53 -11.210 -6.590 10.915 430 HB2 ASP 53 HB2 ASP 53 -10.147 -5.899 13.038 431 HB3 ASP 53 HB1 ASP 53 -10.065 -4.244 12.442 432 H LYS 54 HN LYS 54 -10.000 -5.143 8.543 433 HA LYS 54 HA LYS 54 -11.632 -2.748 8.410 434 HB2 LYS 54 HB2 LYS 54 -10.015 -3.832 6.147 435 HB3 LYS 54 HB1 LYS 54 -10.474 -2.172 6.492 436 HG2 LYS 54 HG2 LYS 54 -8.519 -3.823 8.067 437 HG3 LYS 54 HG1 LYS 54 -8.115 -2.526 6.943 438 HD2 LYS 54 HD2 LYS 54 -9.749 -2.214 9.462 439 HD3 LYS 54 HD1 LYS 54 -8.044 -1.790 9.294 440 HE2 LYS 54 HE2 LYS 54 -8.579 -0.124 7.638 441 HE3 LYS 54 HE1 LYS 54 -10.276 -0.604 7.650 442 HZ1 LYS 54 HZ1 LYS 54 -10.444 0.133 9.932 443 HZ2 LYS 54 HZ2 LYS 54 -9.878 1.398 8.961 444 HZ3 LYS 54 HZ3 LYS 54 -8.805 0.551 9.957 445 H SER 55 HN SER 55 -12.431 -5.836 8.159 446 HA SER 55 HA SER 55 -14.130 -6.998 7.229 447 HG SER 55 HG SER 55 -15.766 -4.151 5.385 448 HB2 SER 55 HB2 SER 55 -16.133 -5.822 6.630 449 HB3 SER 55 HB1 SER 55 -15.400 -4.981 7.996 450 H GLY 56 HN GLY 56 -11.795 -6.552 5.570 451 HA2 GLY 56 HA2 GLY 56 -11.455 -7.581 3.454 452 HA3 GLY 56 HA1 GLY 56 -13.093 -7.142 3.008 453 H PHE 57 HN PHE 57 -12.084 -4.364 4.274 454 HA PHE 57 HA PHE 57 -10.243 -3.440 2.349 455 HD1 PHE 57 HD1 PHE 57 -13.508 -3.208 3.774 456 HD2 PHE 57 HD2 PHE 57 -13.709 -1.178 0.062 457 HE1 PHE 57 HE1 PHE 57 -15.740 -2.366 4.378 458 HE2 PHE 57 HE2 PHE 57 -15.940 -0.321 0.643 459 HZ PHE 57 HZ PHE 57 -16.961 -0.915 2.806 460 HB2 PHE 57 HB2 PHE 57 -11.593 -2.003 0.975 461 HB3 PHE 57 HB1 PHE 57 -12.238 -3.636 0.878 462 H ILE 58 HN ILE 58 -9.564 -1.362 2.573 463 HA ILE 58 HA ILE 58 -10.253 -0.138 5.155 464 HB ILE 58 HB ILE 58 -7.799 0.521 3.549 465 HG12 ILE 58 HG12 ILE 58 -6.825 -1.150 5.442 466 HG13 ILE 58 HG11 ILE 58 -8.376 -1.920 5.124 467 HG21 ILE 58 HG21 ILE 58 -7.174 0.680 6.200 468 HG22 ILE 58 HG22 ILE 58 -8.876 1.139 6.200 469 HG23 ILE 58 HG23 ILE 58 -7.722 2.031 5.210 470 HD11 ILE 58 HD11 ILE 58 -7.832 -2.182 2.805 471 HD12 ILE 58 HD12 ILE 58 -6.515 -2.831 3.783 472 HD13 ILE 58 HD13 ILE 58 -6.347 -1.254 3.009 473 H GLU 59 HN GLU 59 -10.561 2.052 5.315 474 HA GLU 59 HA GLU 59 -11.652 3.227 2.880 475 HB2 GLU 59 HB2 GLU 59 -12.198 3.345 5.764 476 HB3 GLU 59 HB1 GLU 59 -12.382 4.881 4.916 477 HG2 GLU 59 HG2 GLU 59 -13.925 3.769 3.338 478 HG3 GLU 59 HG1 GLU 59 -13.791 2.294 4.292 479 H GLU 60 HN GLU 60 -10.776 4.831 1.920 480 HA GLU 60 HA GLU 60 -8.318 5.796 1.979 481 HB2 GLU 60 HB2 GLU 60 -9.196 7.918 1.016 482 HB3 GLU 60 HB1 GLU 60 -9.879 6.475 0.288 483 HG2 GLU 60 HG2 GLU 60 -11.926 6.765 1.280 484 HG3 GLU 60 HG1 GLU 60 -11.242 7.753 2.564 485 H ASP 61 HN ASP 61 -10.830 6.834 4.197 486 HA ASP 61 HA ASP 61 -9.374 9.032 5.264 487 HB2 ASP 61 HB2 ASP 61 -11.686 7.442 6.412 488 HB3 ASP 61 HB1 ASP 61 -11.076 8.952 7.087 489 H GLU 62 HN GLU 62 -10.045 5.755 6.462 490 HA GLU 62 HA GLU 62 -8.192 6.023 8.647 491 HB2 GLU 62 HB2 GLU 62 -9.702 3.640 7.563 492 HB3 GLU 62 HB1 GLU 62 -8.688 3.594 8.998 493 HG2 GLU 62 HG2 GLU 62 -11.033 3.804 9.580 494 HG3 GLU 62 HG1 GLU 62 -10.122 5.225 10.086 495 H LEU 63 HN LEU 63 -8.012 5.127 5.347 496 HA LEU 63 HA LEU 63 -6.019 3.263 5.217 497 HG LEU 63 HG LEU 63 -5.608 3.870 1.686 498 HB2 LEU 63 HB2 LEU 63 -7.326 4.833 3.434 499 HB3 LEU 63 HB1 LEU 63 -5.695 5.473 3.323 500 HD11 LEU 63 HD11 LEU 63 -5.046 1.956 3.909 501 HD12 LEU 63 HD12 LEU 63 -4.005 3.346 3.627 502 HD13 LEU 63 HD13 LEU 63 -4.225 2.145 2.359 503 HD21 LEU 63 HD21 LEU 63 -6.728 1.563 2.098 504 HD22 LEU 63 HD22 LEU 63 -7.718 2.949 1.652 505 HD23 LEU 63 HD23 LEU 63 -7.639 2.436 3.330 506 H GLY 64 HN GLY 64 -5.781 6.625 6.014 507 HA2 GLY 64 HA2 GLY 64 -2.957 6.829 5.813 508 HA3 GLY 64 HA1 GLY 64 -4.012 7.929 6.699 509 H SER 65 HN SER 65 -5.032 5.441 8.168 510 HA SER 65 HA SER 65 -3.038 5.552 10.272 511 HG SER 65 HG SER 65 -3.877 4.621 12.273 512 HB2 SER 65 HB2 SER 65 -5.442 5.694 10.846 513 HB3 SER 65 HB1 SER 65 -5.691 4.087 10.163 514 H ILE 66 HN ILE 66 -4.796 2.949 8.610 515 HA ILE 66 HA ILE 66 -3.249 0.822 9.419 516 HB ILE 66 HB ILE 66 -5.377 0.679 8.123 517 HG12 ILE 66 HG12 ILE 66 -4.788 -1.363 6.936 518 HG13 ILE 66 HG11 ILE 66 -3.095 -0.900 7.002 519 HG21 ILE 66 HG21 ILE 66 -3.599 1.197 5.755 520 HG22 ILE 66 HG22 ILE 66 -4.820 2.300 6.386 521 HG23 ILE 66 HG23 ILE 66 -5.303 0.752 5.694 522 HD11 ILE 66 HD11 ILE 66 -3.669 -2.590 8.675 523 HD12 ILE 66 HD12 ILE 66 -4.819 -1.466 9.394 524 HD13 ILE 66 HD13 ILE 66 -3.095 -1.098 9.410 525 H LEU 67 HN LEU 67 -2.497 3.315 7.141 526 HA LEU 67 HA LEU 67 -0.662 2.269 5.432 527 HG LEU 67 HG LEU 67 -0.664 5.728 4.449 528 HB2 LEU 67 HB2 LEU 67 -1.286 4.824 6.540 529 HB3 LEU 67 HB1 LEU 67 0.455 4.674 6.437 530 HD11 LEU 67 HD11 LEU 67 0.960 3.234 3.994 531 HD12 LEU 67 HD12 LEU 67 1.587 4.854 4.303 532 HD13 LEU 67 HD13 LEU 67 0.709 4.518 2.810 533 HD21 LEU 67 HD21 LEU 67 -2.485 4.704 3.690 534 HD22 LEU 67 HD22 LEU 67 -2.077 3.187 4.482 535 HD23 LEU 67 HD23 LEU 67 -1.375 3.577 2.914 536 H LYS 68 HN LYS 68 0.104 3.392 8.747 537 HA LYS 68 HA LYS 68 2.802 2.994 8.649 538 HB2 LYS 68 HB2 LYS 68 2.496 2.475 11.195 539 HB3 LYS 68 HB1 LYS 68 2.194 4.065 10.515 540 HG2 LYS 68 HG2 LYS 68 0.511 3.287 12.169 541 HG3 LYS 68 HG1 LYS 68 -0.121 3.801 10.605 542 HD2 LYS 68 HD2 LYS 68 -1.245 1.779 11.338 543 HD3 LYS 68 HD1 LYS 68 -0.257 1.433 9.923 544 HE2 LYS 68 HE2 LYS 68 1.496 0.523 11.371 545 HE3 LYS 68 HE1 LYS 68 0.510 0.882 12.786 546 HZ1 LYS 68 HZ1 LYS 68 -1.136 -0.675 12.039 547 HZ2 LYS 68 HZ2 LYS 68 0.366 -1.453 12.075 548 HZ3 LYS 68 HZ3 LYS 68 -0.295 -0.958 10.599 549 H GLY 69 HN GLY 69 0.479 0.447 8.468 550 HA2 GLY 69 HA2 GLY 69 1.710 -1.675 9.696 551 HA3 GLY 69 HA1 GLY 69 0.899 -1.811 8.139 552 H PHE 70 HN PHE 70 2.413 -0.469 6.431 553 HA PHE 70 HA PHE 70 4.949 -1.927 6.439 554 HD1 PHE 70 HD2 PHE 70 1.496 -1.897 4.711 555 HD2 PHE 70 HD1 PHE 70 4.163 1.064 3.211 556 HE1 PHE 70 HE2 PHE 70 -0.416 -0.631 3.821 557 HE2 PHE 70 HE1 PHE 70 2.250 2.337 2.311 558 HZ PHE 70 HZ PHE 70 -0.040 1.486 2.621 559 HB2 PHE 70 HB2 PHE 70 5.006 -0.994 4.007 560 HB3 PHE 70 HB1 PHE 70 3.934 -2.339 4.385 561 H SER 71 HN SER 71 3.547 1.238 6.047 562 HA SER 71 HA SER 71 5.968 2.678 5.712 563 HG SER 71 HG SER 71 2.756 2.646 4.824 564 HB2 SER 71 HB2 SER 71 3.339 3.881 6.536 565 HB3 SER 71 HB1 SER 71 4.634 4.604 5.582 566 H SER 72 HN SER 72 4.963 1.189 8.454 567 HA SER 72 HA SER 72 4.898 2.999 10.498 568 HG SER 72 HG SER 72 6.365 0.429 12.642 569 HB2 SER 72 HB2 SER 72 4.677 0.810 11.231 570 HB3 SER 72 HB1 SER 72 6.070 0.247 10.307 571 H ASP 73 HN ASP 73 7.647 2.276 8.480 572 HA ASP 73 HA ASP 73 9.490 3.653 10.258 573 HB2 ASP 73 HB2 ASP 73 10.074 2.629 7.490 574 HB3 ASP 73 HB1 ASP 73 11.210 2.998 8.783 575 H ALA 74 HN ALA 74 7.546 4.310 7.477 576 HA ALA 74 HA ALA 74 8.874 6.915 7.112 577 HB1 ALA 74 HB1 ALA 74 6.994 5.600 5.164 578 HB2 ALA 74 HB2 ALA 74 8.737 5.343 5.145 579 HB3 ALA 74 HB3 ALA 74 8.084 6.957 4.878 580 H ARG 75 HN ARG 75 6.766 8.137 5.680 581 HA ARG 75 HA ARG 75 5.125 9.008 7.877 582 HE ARG 75 HE ARG 75 4.050 12.846 5.338 583 HB2 ARG 75 HB2 ARG 75 5.216 9.821 4.969 584 HB3 ARG 75 HB1 ARG 75 4.166 10.574 6.160 585 HG2 ARG 75 HG2 ARG 75 6.218 11.148 7.476 586 HG3 ARG 75 HG1 ARG 75 7.170 10.588 6.099 587 HD2 ARG 75 HD2 ARG 75 6.825 13.037 6.111 588 HD3 ARG 75 HD1 ARG 75 6.169 12.250 4.670 589 HH11 ARG 75 HH11 ARG 75 6.296 13.404 7.944 590 HH12 ARG 75 HH12 ARG 75 5.156 14.281 8.908 591 HH21 ARG 75 HH21 ARG 75 2.544 13.996 6.602 592 HH22 ARG 75 HH22 ARG 75 3.023 14.617 8.147 593 H ASP 76 HN ASP 76 2.696 9.586 6.907 594 HA ASP 76 HA ASP 76 1.566 6.957 6.206 595 HB2 ASP 76 HB2 ASP 76 0.383 9.156 7.909 596 HB3 ASP 76 HB1 ASP 76 -0.454 7.677 7.453 597 H LEU 77 HN LEU 77 -0.871 7.364 5.473 598 HA LEU 77 HA LEU 77 -0.712 8.666 2.927 599 HG LEU 77 HG LEU 77 -2.946 8.227 1.527 600 HB2 LEU 77 HB2 LEU 77 -2.256 6.668 4.016 601 HB3 LEU 77 HB1 LEU 77 -3.388 8.003 3.935 602 HD11 LEU 77 HD11 LEU 77 -1.696 6.433 0.386 603 HD12 LEU 77 HD12 LEU 77 -1.187 5.820 1.957 604 HD13 LEU 77 HD13 LEU 77 -0.677 7.422 1.428 605 HD21 LEU 77 HD21 LEU 77 -3.829 5.552 2.570 606 HD22 LEU 77 HD22 LEU 77 -3.923 5.984 0.864 607 HD23 LEU 77 HD23 LEU 77 -4.826 6.915 2.061 608 H SER 78 HN SER 78 -0.719 10.844 2.817 609 HA SER 78 HA SER 78 -2.388 12.366 4.672 610 HG SER 78 HG SER 78 0.703 12.332 4.342 611 HB2 SER 78 HB2 SER 78 -0.339 13.301 2.644 612 HB3 SER 78 HB1 SER 78 -1.202 14.344 3.775 613 H ALA 79 HN ALA 79 -3.162 14.536 3.346 614 HA ALA 79 HA ALA 79 -5.446 13.870 1.980 615 HB1 ALA 79 HB1 ALA 79 -5.503 16.147 1.165 616 HB2 ALA 79 HB2 ALA 79 -3.773 16.324 1.466 617 HB3 ALA 79 HB3 ALA 79 -4.889 16.133 2.820 618 H LYS 80 HN LYS 80 -2.316 14.738 0.593 619 HA LYS 80 HA LYS 80 -2.920 14.490 -2.098 620 HB2 LYS 80 HB2 LYS 80 -0.348 13.985 -0.609 621 HB3 LYS 80 HB1 LYS 80 -0.455 13.992 -2.365 622 HG2 LYS 80 HG2 LYS 80 -1.294 16.319 -2.264 623 HG3 LYS 80 HG1 LYS 80 -1.044 16.295 -0.517 624 HD2 LYS 80 HD2 LYS 80 1.315 15.984 -0.792 625 HD3 LYS 80 HD1 LYS 80 1.132 15.755 -2.532 626 HE2 LYS 80 HE2 LYS 80 0.345 18.065 -2.745 627 HE3 LYS 80 HE1 LYS 80 0.538 18.290 -1.007 628 HZ1 LYS 80 HZ1 LYS 80 2.911 17.859 -1.266 629 HZ2 LYS 80 HZ2 LYS 80 2.424 19.183 -2.198 630 HZ3 LYS 80 HZ3 LYS 80 2.713 17.688 -2.938 631 H GLU 81 HN GLU 81 -1.499 11.988 0.011 632 HA GLU 81 HA GLU 81 -1.522 9.968 -1.972 633 HB2 GLU 81 HB2 GLU 81 -1.489 9.560 1.009 634 HB3 GLU 81 HB1 GLU 81 -0.869 8.469 -0.204 635 HG2 GLU 81 HG2 GLU 81 0.893 10.026 -0.769 636 HG3 GLU 81 HG1 GLU 81 0.247 11.202 0.375 637 H THR 82 HN THR 82 -3.830 10.825 0.611 638 HA THR 82 HA THR 82 -5.419 8.537 0.463 639 HB THR 82 HB THR 82 -6.384 11.389 0.800 640 HG1 THR 82 HG1 THR 82 -6.114 10.990 3.009 641 HG21 THR 82 HG21 THR 82 -8.123 9.636 0.278 642 HG22 THR 82 HG22 THR 82 -8.345 10.493 1.803 643 HG23 THR 82 HG23 THR 82 -7.679 8.860 1.800 644 H LYS 83 HN LYS 83 -5.611 11.548 -1.360 645 HA LYS 83 HA LYS 83 -7.532 10.564 -3.233 646 HB2 LYS 83 HB2 LYS 83 -5.819 13.049 -3.226 647 HB3 LYS 83 HB1 LYS 83 -7.058 12.707 -4.426 648 HG2 LYS 83 HG2 LYS 83 -7.527 13.016 -1.469 649 HG3 LYS 83 HG1 LYS 83 -7.847 14.243 -2.695 650 HD2 LYS 83 HD2 LYS 83 -9.926 13.365 -2.657 651 HD3 LYS 83 HD1 LYS 83 -9.217 12.150 -3.721 652 HE2 LYS 83 HE2 LYS 83 -10.437 11.027 -1.989 653 HE3 LYS 83 HE1 LYS 83 -8.714 10.772 -1.714 654 HZ1 LYS 83 HZ1 LYS 83 -8.757 12.522 -0.049 655 HZ2 LYS 83 HZ2 LYS 83 -9.860 11.301 0.338 656 HZ3 LYS 83 HZ3 LYS 83 -10.411 12.762 -0.310 657 H THR 84 HN THR 84 -4.024 10.748 -3.094 658 HA THR 84 HA THR 84 -3.758 10.214 -5.918 659 HB THR 84 HB THR 84 -1.634 10.549 -3.821 660 HG1 THR 84 HG1 THR 84 -2.313 12.329 -5.925 661 HG21 THR 84 HG21 THR 84 -0.074 10.760 -5.694 662 HG22 THR 84 HG22 THR 84 -1.379 10.420 -6.829 663 HG23 THR 84 HG23 THR 84 -0.846 9.175 -5.699 664 H LEU 85 HN LEU 85 -2.577 8.619 -2.972 665 HA LEU 85 HA LEU 85 -1.836 6.272 -4.456 666 HG LEU 85 HG LEU 85 -1.932 4.332 -2.071 667 HB2 LEU 85 HB2 LEU 85 -0.505 6.947 -2.555 668 HB3 LEU 85 HB1 LEU 85 -1.893 6.781 -1.496 669 HD11 LEU 85 HD11 LEU 85 0.251 3.432 -2.934 670 HD12 LEU 85 HD12 LEU 85 0.641 5.080 -3.426 671 HD13 LEU 85 HD13 LEU 85 -0.758 4.263 -4.117 672 HD21 LEU 85 HD21 LEU 85 0.379 3.977 -0.807 673 HD22 LEU 85 HD22 LEU 85 -1.062 4.586 0.007 674 HD23 LEU 85 HD23 LEU 85 0.188 5.709 -0.527 675 H MET 86 HN MET 86 -4.348 6.952 -1.971 676 HA MET 86 HA MET 86 -5.398 4.330 -2.081 677 HB2 MET 86 HB2 MET 86 -5.830 6.587 -0.552 678 HB3 MET 86 HB1 MET 86 -7.333 6.407 -1.439 679 HG2 MET 86 HG2 MET 86 -6.280 3.947 -0.250 680 HG3 MET 86 HG1 MET 86 -6.787 5.189 0.892 681 HE1 MET 86 HE1 MET 86 -7.679 3.285 -2.264 682 HE2 MET 86 HE2 MET 86 -8.731 4.632 -2.702 683 HE3 MET 86 HE3 MET 86 -9.429 3.092 -2.207 684 H ALA 87 HN ALA 87 -6.529 7.364 -3.589 685 HA ALA 87 HA ALA 87 -8.648 6.204 -5.031 686 HB1 ALA 87 HB1 ALA 87 -7.268 8.515 -6.250 687 HB2 ALA 87 HB2 ALA 87 -7.876 8.727 -4.603 688 HB3 ALA 87 HB3 ALA 87 -8.978 8.261 -5.903 689 H ALA 88 HN ALA 88 -5.196 6.385 -5.724 690 HA ALA 88 HA ALA 88 -5.496 5.552 -8.460 691 HB1 ALA 88 HB1 ALA 88 -3.061 5.593 -6.682 692 HB2 ALA 88 HB2 ALA 88 -3.552 6.843 -7.828 693 HB3 ALA 88 HB3 ALA 88 -3.052 5.259 -8.413 694 H GLY 89 HN GLY 89 -3.949 3.900 -5.676 695 HA2 GLY 89 HA2 GLY 89 -3.717 1.365 -6.688 696 HA3 GLY 89 HA1 GLY 89 -4.085 1.690 -5.001 697 H ASP 90 HN ASP 90 -6.591 2.783 -5.226 698 HA ASP 90 HA ASP 90 -8.177 0.426 -5.708 699 HB2 ASP 90 HB2 ASP 90 -9.887 1.453 -4.490 700 HB3 ASP 90 HB1 ASP 90 -8.416 2.027 -3.719 701 H LYS 91 HN LYS 91 -7.116 1.378 -8.092 702 HA LYS 91 HA LYS 91 -8.096 3.111 -9.767 703 HB2 LYS 91 HB2 LYS 91 -6.571 1.336 -10.331 704 HB3 LYS 91 HB1 LYS 91 -7.862 0.154 -10.213 705 HG2 LYS 91 HG2 LYS 91 -8.107 2.392 -12.151 706 HG3 LYS 91 HG1 LYS 91 -7.054 1.026 -12.484 707 HD2 LYS 91 HD2 LYS 91 -8.966 -0.497 -12.079 708 HD3 LYS 91 HD1 LYS 91 -9.995 0.922 -11.922 709 HE2 LYS 91 HE2 LYS 91 -10.211 0.058 -14.149 710 HE3 LYS 91 HE1 LYS 91 -9.350 1.594 -14.215 711 HZ1 LYS 91 HZ1 LYS 91 -7.267 0.373 -14.371 712 HZ2 LYS 91 HZ2 LYS 91 -8.309 -0.052 -15.634 713 HZ3 LYS 91 HZ3 LYS 91 -8.102 -1.098 -14.321 714 H ASP 92 HN ASP 92 -10.015 0.334 -8.708 715 HA ASP 92 HA ASP 92 -12.127 0.581 -10.485 716 HB2 ASP 92 HB2 ASP 92 -12.196 -0.265 -7.584 717 HB3 ASP 92 HB1 ASP 92 -13.539 -0.466 -8.704 718 H GLY 93 HN GLY 93 -11.204 2.732 -7.979 719 HA2 GLY 93 HA2 GLY 93 -11.963 4.842 -7.495 720 HA3 GLY 93 HA1 GLY 93 -13.184 4.639 -8.748 721 H ASP 94 HN ASP 94 -12.501 2.964 -5.681 722 HA ASP 94 HA ASP 94 -15.318 3.396 -4.951 723 HB2 ASP 94 HB2 ASP 94 -13.411 1.229 -4.046 724 HB3 ASP 94 HB1 ASP 94 -15.071 1.416 -3.488 725 H GLY 95 HN GLY 95 -12.365 4.689 -4.323 726 HA2 GLY 95 HA2 GLY 95 -11.629 6.074 -2.633 727 HA3 GLY 95 HA1 GLY 95 -13.238 5.953 -1.965 728 H LYS 96 HN LYS 96 -11.916 2.957 -2.400 729 HA LYS 96 HA LYS 96 -10.598 2.798 0.169 730 HB2 LYS 96 HB2 LYS 96 -12.949 0.988 -0.345 731 HB3 LYS 96 HB1 LYS 96 -12.106 1.275 1.168 732 HG2 LYS 96 HG2 LYS 96 -12.963 3.581 1.189 733 HG3 LYS 96 HG1 LYS 96 -13.860 3.236 -0.290 734 HD2 LYS 96 HD2 LYS 96 -15.029 1.406 0.932 735 HD3 LYS 96 HD1 LYS 96 -14.226 1.945 2.408 736 HE2 LYS 96 HE2 LYS 96 -15.223 4.225 1.978 737 HE3 LYS 96 HE1 LYS 96 -16.197 3.465 0.716 738 HZ1 LYS 96 HZ1 LYS 96 -16.207 2.683 3.582 739 HZ2 LYS 96 HZ2 LYS 96 -17.164 2.005 2.365 740 HZ3 LYS 96 HZ3 LYS 96 -17.394 3.618 2.820 741 H ILE 97 HN ILE 97 -9.711 0.572 0.556 742 HA ILE 97 HA ILE 97 -9.236 -0.831 -1.990 743 HB ILE 97 HB ILE 97 -7.192 -0.285 0.168 744 HG12 ILE 97 HG12 ILE 97 -7.469 0.680 -2.681 745 HG13 ILE 97 HG11 ILE 97 -7.539 1.656 -1.217 746 HG21 ILE 97 HG21 ILE 97 -5.601 -1.431 -1.329 747 HG22 ILE 97 HG22 ILE 97 -6.944 -1.884 -2.379 748 HG23 ILE 97 HG23 ILE 97 -6.864 -2.509 -0.732 749 HD11 ILE 97 HD11 ILE 97 -5.405 1.837 -2.465 750 HD12 ILE 97 HD12 ILE 97 -5.105 0.133 -2.113 751 HD13 ILE 97 HD13 ILE 97 -5.214 1.302 -0.797 752 H GLY 98 HN GLY 98 -9.989 -2.821 -1.918 753 HA2 GLY 98 HA2 GLY 98 -9.870 -4.271 0.649 754 HA3 GLY 98 HA1 GLY 98 -11.170 -4.494 -0.505 755 H VAL 99 HN VAL 99 -10.246 -6.759 0.040 756 HA VAL 99 HA VAL 99 -7.819 -7.688 -0.880 757 HB VAL 99 HB VAL 99 -9.565 -9.000 0.383 758 HG11 VAL 99 HG11 VAL 99 -11.249 -10.207 -0.788 759 HG12 VAL 99 HG12 VAL 99 -10.645 -9.650 -2.348 760 HG13 VAL 99 HG13 VAL 99 -11.411 -8.509 -1.241 761 HG21 VAL 99 HG21 VAL 99 -8.880 -11.155 -0.578 762 HG22 VAL 99 HG22 VAL 99 -7.526 -10.034 -0.427 763 HG23 VAL 99 HG23 VAL 99 -8.268 -10.313 -2.002 764 H GLU 100 HN GLU 100 -10.701 -6.931 -2.713 765 HA GLU 100 HA GLU 100 -9.875 -8.147 -5.137 766 HB2 GLU 100 HB2 GLU 100 -11.717 -6.893 -6.165 767 HB3 GLU 100 HB1 GLU 100 -12.214 -7.730 -4.701 768 HG2 GLU 100 HG2 GLU 100 -11.858 -5.602 -3.480 769 HG3 GLU 100 HG1 GLU 100 -11.662 -4.807 -5.039 770 H GLU 101 HN GLU 101 -9.910 -4.749 -4.077 771 HA GLU 101 HA GLU 101 -8.670 -3.819 -6.470 772 HB2 GLU 101 HB2 GLU 101 -9.198 -2.499 -3.811 773 HB3 GLU 101 HB1 GLU 101 -8.469 -1.655 -5.174 774 HG2 GLU 101 HG2 GLU 101 -10.492 -2.284 -6.515 775 HG3 GLU 101 HG1 GLU 101 -11.219 -2.855 -5.014 776 H PHE 102 HN PHE 102 -7.450 -4.846 -3.339 777 HA PHE 102 HA PHE 102 -4.946 -3.647 -3.348 778 HD1 PHE 102 HD1 PHE 102 -2.692 -6.264 -2.458 779 HD2 PHE 102 HD2 PHE 102 -5.202 -3.775 -0.121 780 HE1 PHE 102 HE1 PHE 102 -0.752 -5.634 -1.075 781 HE2 PHE 102 HE2 PHE 102 -3.279 -3.129 1.275 782 HZ PHE 102 HZ PHE 102 -1.046 -4.060 0.799 783 HB2 PHE 102 HB2 PHE 102 -6.114 -5.352 -1.659 784 HB3 PHE 102 HB1 PHE 102 -5.100 -6.506 -2.502 785 H SER 103 HN SER 103 -6.165 -6.208 -5.334 786 HA SER 103 HA SER 103 -3.584 -7.036 -6.302 787 HG SER 103 HG SER 103 -5.370 -9.107 -8.646 788 HB2 SER 103 HB2 SER 103 -5.493 -8.596 -6.335 789 HB3 SER 103 HB1 SER 103 -6.357 -7.519 -7.432 790 H THR 104 HN THR 104 -6.166 -4.887 -7.311 791 HA THR 104 HA THR 104 -5.194 -4.243 -9.863 792 HB THR 104 HB THR 104 -6.667 -2.229 -8.191 793 HG1 THR 104 HG1 THR 104 -8.592 -3.474 -9.010 794 HG21 THR 104 HG21 THR 104 -7.798 -1.776 -10.320 795 HG22 THR 104 HG22 THR 104 -6.881 -3.074 -11.085 796 HG23 THR 104 HG23 THR 104 -6.047 -1.640 -10.491 797 H LEU 105 HN LEU 105 -4.609 -2.744 -6.688 798 HA LEU 105 HA LEU 105 -3.206 -0.504 -7.519 799 HG LEU 105 HG LEU 105 -3.779 -3.019 -4.944 800 HB2 LEU 105 HB2 LEU 105 -1.790 -1.405 -5.249 801 HB3 LEU 105 HB1 LEU 105 -3.013 -0.168 -5.334 802 HD11 LEU 105 HD11 LEU 105 -3.872 -2.212 -2.464 803 HD12 LEU 105 HD12 LEU 105 -2.634 -1.074 -2.996 804 HD13 LEU 105 HD13 LEU 105 -2.354 -2.809 -3.137 805 HD21 LEU 105 HD21 LEU 105 -5.730 -1.983 -3.893 806 HD22 LEU 105 HD22 LEU 105 -5.517 -1.409 -5.542 807 HD23 LEU 105 HD23 LEU 105 -5.042 -0.387 -4.192 808 H VAL 106 HN VAL 106 -2.243 -3.834 -7.531 809 HA VAL 106 HA VAL 106 0.561 -3.415 -7.763 810 HB VAL 106 HB VAL 106 -1.032 -5.750 -8.833 811 HG11 VAL 106 HG11 VAL 106 1.857 -5.531 -7.998 812 HG12 VAL 106 HG12 VAL 106 1.266 -5.618 -9.657 813 HG13 VAL 106 HG13 VAL 106 1.051 -6.990 -8.570 814 HG21 VAL 106 HG21 VAL 106 -1.564 -5.422 -6.492 815 HG22 VAL 106 HG22 VAL 106 0.151 -5.333 -6.091 816 HG23 VAL 106 HG23 VAL 106 -0.540 -6.844 -6.685 817 H ALA 107 HN ALA 107 -2.115 -3.538 -10.001 818 HA ALA 107 HA ALA 107 -0.463 -3.474 -12.358 819 HB1 ALA 107 HB1 ALA 107 -3.426 -2.990 -12.086 820 HB2 ALA 107 HB2 ALA 107 -2.678 -4.571 -12.308 821 HB3 ALA 107 HB3 ALA 107 -2.547 -3.346 -13.573 822 H GLU 108 HN GLU 108 -1.995 -1.193 -10.242 823 HA GLU 108 HA GLU 108 -2.169 1.054 -11.891 824 HB2 GLU 108 HB2 GLU 108 -1.838 0.660 -8.939 825 HB3 GLU 108 HB1 GLU 108 -1.721 2.278 -9.616 826 HG2 GLU 108 HG2 GLU 108 -3.958 1.826 -8.802 827 HG3 GLU 108 HG1 GLU 108 -3.953 2.082 -10.545 828 H SER 109 HN SER 109 0.215 0.886 -9.301 829 HA SER 109 HA SER 109 1.986 2.721 -10.374 830 HG SER 109 HG SER 109 4.354 1.829 -7.963 831 HB2 SER 109 HB2 SER 109 2.204 2.121 -8.077 832 HB3 SER 109 HB1 SER 109 2.448 0.422 -8.471 Start of MODEL 2 1 HA SER 1 HA SER 1 5.474 -6.904 8.721 2 HG SER 1 HG SER 1 2.995 -6.847 8.635 3 H1 SER 1 HT1 SER 1 6.601 -4.837 9.189 4 H2 SER 1 HT2 SER 1 6.587 -4.423 7.548 5 H3 SER 1 HT3 SER 1 7.482 -5.758 8.075 6 HB2 SER 1 HB2 SER 1 4.114 -4.947 9.264 7 HB3 SER 1 HB1 SER 1 4.105 -4.460 7.569 8 H MET 2 HN MET 2 4.762 -8.431 7.300 9 HA MET 2 HA MET 2 4.756 -9.657 5.383 10 HB2 MET 2 HB2 MET 2 2.940 -8.079 4.865 11 HB3 MET 2 HB1 MET 2 4.107 -6.984 4.136 12 HG2 MET 2 HG2 MET 2 3.405 -7.996 2.260 13 HG3 MET 2 HG1 MET 2 4.651 -9.158 2.707 14 HE1 MET 2 HE1 MET 2 2.783 -10.296 5.379 15 HE2 MET 2 HE2 MET 2 3.953 -11.234 4.452 16 HE3 MET 2 HE3 MET 2 2.294 -11.810 4.617 17 H THR 3 HN THR 3 7.240 -9.388 6.046 18 HA THR 3 HA THR 3 8.743 -8.212 3.829 19 HB THR 3 HB THR 3 10.755 -8.811 5.224 20 HG1 THR 3 HG1 THR 3 9.627 -10.436 6.489 21 HG21 THR 3 HG21 THR 3 9.789 -6.558 5.240 22 HG22 THR 3 HG22 THR 3 10.429 -6.992 6.825 23 HG23 THR 3 HG23 THR 3 8.691 -7.038 6.534 24 H ASP 4 HN ASP 4 7.830 -11.287 5.179 25 HA ASP 4 HA ASP 4 9.771 -12.909 3.941 26 HB2 ASP 4 HB2 ASP 4 6.932 -13.578 4.746 27 HB3 ASP 4 HB1 ASP 4 8.168 -14.759 4.322 28 H LEU 5 HN LEU 5 6.872 -11.412 2.752 29 HA LEU 5 HA LEU 5 7.051 -12.928 0.247 30 HG LEU 5 HG LEU 5 5.314 -13.964 1.621 31 HB2 LEU 5 HB2 LEU 5 4.880 -11.226 1.446 32 HB3 LEU 5 HB1 LEU 5 4.837 -11.761 -0.223 33 HD11 LEU 5 HD11 LEU 5 2.781 -12.363 1.893 34 HD12 LEU 5 HD12 LEU 5 3.976 -12.683 3.149 35 HD13 LEU 5 HD13 LEU 5 3.005 -14.003 2.499 36 HD21 LEU 5 HD21 LEU 5 4.710 -14.216 -0.741 37 HD22 LEU 5 HD22 LEU 5 3.165 -13.427 -0.426 38 HD23 LEU 5 HD23 LEU 5 3.529 -14.983 0.321 39 H LEU 6 HN LEU 6 6.841 -9.607 1.471 40 HA LEU 6 HA LEU 6 7.486 -8.509 -1.138 41 HG LEU 6 HG LEU 6 5.092 -8.263 0.769 42 HB2 LEU 6 HB2 LEU 6 7.218 -7.102 1.518 43 HB3 LEU 6 HB1 LEU 6 7.258 -6.346 -0.063 44 HD11 LEU 6 HD11 LEU 6 4.725 -6.584 2.299 45 HD12 LEU 6 HD12 LEU 6 3.797 -5.996 0.919 46 HD13 LEU 6 HD13 LEU 6 5.398 -5.338 1.254 47 HD21 LEU 6 HD21 LEU 6 5.515 -7.826 -1.668 48 HD22 LEU 6 HD22 LEU 6 5.094 -6.136 -1.369 49 HD23 LEU 6 HD23 LEU 6 3.899 -7.406 -1.099 50 H SER 7 HN SER 7 9.424 -7.517 -1.692 51 HA SER 7 HA SER 7 11.774 -8.531 -0.636 52 HG SER 7 HG SER 7 11.556 -6.977 -3.910 53 HB2 SER 7 HB2 SER 7 11.927 -5.809 -1.798 54 HB3 SER 7 HB1 SER 7 12.859 -7.251 -2.187 55 H ALA 8 HN ALA 8 12.465 -8.305 1.397 56 HA ALA 8 HA ALA 8 11.647 -6.295 3.171 57 HB1 ALA 8 HB1 ALA 8 14.014 -8.154 3.301 58 HB2 ALA 8 HB2 ALA 8 12.414 -8.411 3.999 59 HB3 ALA 8 HB3 ALA 8 13.463 -7.143 4.635 60 H GLU 9 HN GLU 9 14.476 -6.530 1.086 61 HA GLU 9 HA GLU 9 15.853 -4.313 2.217 62 HB2 GLU 9 HB2 GLU 9 17.290 -4.445 0.247 63 HB3 GLU 9 HB1 GLU 9 17.013 -6.043 0.925 64 HG2 GLU 9 HG2 GLU 9 15.268 -6.410 -0.803 65 HG3 GLU 9 HG1 GLU 9 15.718 -4.863 -1.519 66 H ASP 10 HN ASP 10 13.834 -4.677 -0.689 67 HA ASP 10 HA ASP 10 14.032 -2.102 -1.705 68 HB2 ASP 10 HB2 ASP 10 11.634 -3.930 -1.655 69 HB3 ASP 10 HB1 ASP 10 11.833 -2.549 -2.733 70 H ILE 11 HN ILE 11 11.605 -3.407 0.501 71 HA ILE 11 HA ILE 11 10.091 -1.107 0.900 72 HB ILE 11 HB ILE 11 10.657 -3.280 2.901 73 HG12 ILE 11 HG12 ILE 11 8.208 -3.321 1.229 74 HG13 ILE 11 HG11 ILE 11 9.717 -3.800 0.462 75 HG21 ILE 11 HG21 ILE 11 8.471 -2.696 3.825 76 HG22 ILE 11 HG22 ILE 11 8.294 -1.435 2.602 77 HG23 ILE 11 HG23 ILE 11 9.551 -1.299 3.834 78 HD11 ILE 11 HD11 ILE 11 8.341 -5.052 2.809 79 HD12 ILE 11 HD12 ILE 11 10.018 -5.403 2.391 80 HD13 ILE 11 HD13 ILE 11 8.729 -5.773 1.247 81 H LYS 12 HN LYS 12 12.738 -2.373 2.945 82 HA LYS 12 HA LYS 12 12.727 -0.183 4.710 83 HB2 LYS 12 HB2 LYS 12 14.908 -0.981 5.458 84 HB3 LYS 12 HB1 LYS 12 13.796 -2.329 5.259 85 HG2 LYS 12 HG2 LYS 12 14.822 -2.813 3.075 86 HG3 LYS 12 HG1 LYS 12 15.972 -1.506 3.349 87 HD2 LYS 12 HD2 LYS 12 15.655 -4.009 5.004 88 HD3 LYS 12 HD1 LYS 12 16.988 -3.629 3.913 89 HE2 LYS 12 HE2 LYS 12 17.955 -2.972 5.858 90 HE3 LYS 12 HE1 LYS 12 17.115 -1.472 5.469 91 HZ1 LYS 12 HZ1 LYS 12 15.280 -2.209 6.899 92 HZ2 LYS 12 HZ2 LYS 12 16.730 -2.061 7.754 93 HZ3 LYS 12 HZ3 LYS 12 16.160 -3.593 7.316 94 H LYS 13 HN LYS 13 14.306 -0.736 1.632 95 HA LYS 13 HA LYS 13 16.148 1.411 1.736 96 HB2 LYS 13 HB2 LYS 13 14.922 -0.246 -0.422 97 HB3 LYS 13 HB1 LYS 13 15.801 1.210 -0.867 98 HG2 LYS 13 HG2 LYS 13 17.818 0.372 -0.232 99 HG3 LYS 13 HG1 LYS 13 17.117 -0.689 0.987 100 HD2 LYS 13 HD2 LYS 13 18.111 -1.782 -1.109 101 HD3 LYS 13 HD1 LYS 13 16.504 -2.300 -0.614 102 HE2 LYS 13 HE2 LYS 13 15.472 -0.943 -2.303 103 HE3 LYS 13 HE1 LYS 13 17.020 -0.195 -2.710 104 HZ1 LYS 13 HZ1 LYS 13 16.416 -1.895 -4.311 105 HZ2 LYS 13 HZ2 LYS 13 16.328 -3.060 -3.087 106 HZ3 LYS 13 HZ3 LYS 13 17.815 -2.350 -3.473 107 H ALA 14 HN ALA 14 13.021 1.069 0.126 108 HA ALA 14 HA ALA 14 12.847 3.788 -0.674 109 HB1 ALA 14 HB1 ALA 14 10.367 2.207 -0.457 110 HB2 ALA 14 HB2 ALA 14 11.639 1.543 -1.482 111 HB3 ALA 14 HB3 ALA 14 10.997 3.157 -1.803 112 H ILE 15 HN ILE 15 11.343 1.938 1.954 113 HA ILE 15 HA ILE 15 9.659 3.918 2.902 114 HB ILE 15 HB ILE 15 10.888 1.563 4.252 115 HG12 ILE 15 HG12 ILE 15 8.235 2.417 3.146 116 HG13 ILE 15 HG11 ILE 15 9.263 1.113 2.589 117 HG21 ILE 15 HG21 ILE 15 10.514 3.348 5.968 118 HG22 ILE 15 HG22 ILE 15 9.488 1.930 6.180 119 HG23 ILE 15 HG23 ILE 15 8.822 3.400 5.471 120 HD11 ILE 15 HD11 ILE 15 7.599 -0.023 3.688 121 HD12 ILE 15 HD12 ILE 15 7.406 1.249 4.887 122 HD13 ILE 15 HD13 ILE 15 8.787 0.154 4.983 123 H GLY 16 HN GLY 16 12.995 3.162 3.905 124 HA2 GLY 16 HA2 GLY 16 13.084 5.380 5.748 125 HA3 GLY 16 HA1 GLY 16 14.415 4.312 5.334 126 H ALA 17 HN ALA 17 13.742 4.945 2.402 127 HA ALA 17 HA ALA 17 15.447 7.314 2.275 128 HB1 ALA 17 HB1 ALA 17 15.879 6.705 0.005 129 HB2 ALA 17 HB2 ALA 17 14.564 5.527 0.018 130 HB3 ALA 17 HB3 ALA 17 16.010 5.250 0.996 131 H PHE 18 HN PHE 18 12.159 6.716 2.240 132 HA PHE 18 HA PHE 18 11.680 9.033 0.485 133 HD1 PHE 18 HD2 PHE 18 12.358 8.350 -1.139 134 HD2 PHE 18 HD1 PHE 18 9.203 5.499 -1.121 135 HE1 PHE 18 HE2 PHE 18 13.068 7.553 -3.352 136 HE2 PHE 18 HE1 PHE 18 9.896 4.707 -3.327 137 HZ PHE 18 HZ PHE 18 11.838 5.726 -4.455 138 HB2 PHE 18 HB2 PHE 18 10.012 6.575 0.954 139 HB3 PHE 18 HB1 PHE 18 9.361 8.030 0.222 140 H THR 19 HN THR 19 11.652 10.647 2.013 141 HA THR 19 HA THR 19 9.840 10.391 4.285 142 HB THR 19 HB THR 19 10.668 12.622 4.947 143 HG1 THR 19 HG1 THR 19 12.607 13.295 3.603 144 HG21 THR 19 HG21 THR 19 11.885 10.643 5.703 145 HG22 THR 19 HG22 THR 19 12.991 11.987 5.420 146 HG23 THR 19 HG23 THR 19 12.872 10.680 4.243 147 H ALA 20 HN ALA 20 10.344 12.448 1.466 148 HA ALA 20 HA ALA 20 7.649 13.544 1.662 149 HB1 ALA 20 HB1 ALA 20 8.401 15.200 0.041 150 HB2 ALA 20 HB2 ALA 20 9.961 14.385 -0.077 151 HB3 ALA 20 HB3 ALA 20 9.476 15.146 1.439 152 H ALA 21 HN ALA 21 9.828 11.887 -0.579 153 HA ALA 21 HA ALA 21 8.520 11.780 -2.919 154 HB1 ALA 21 HB1 ALA 21 9.801 9.400 -1.604 155 HB2 ALA 21 HB2 ALA 21 10.645 10.664 -2.496 156 HB3 ALA 21 HB3 ALA 21 9.511 9.604 -3.332 157 H ASP 22 HN ASP 22 8.032 9.146 -0.598 158 HA ASP 22 HA ASP 22 5.629 8.295 -1.887 159 HB2 ASP 22 HB2 ASP 22 5.460 6.645 -0.133 160 HB3 ASP 22 HB1 ASP 22 7.149 6.761 -0.616 161 H SER 23 HN SER 23 6.417 10.578 0.544 162 HA SER 23 HA SER 23 4.182 10.750 2.111 163 HG SER 23 HG SER 23 5.120 13.902 3.112 164 HB2 SER 23 HB2 SER 23 6.425 12.154 1.971 165 HB3 SER 23 HB1 SER 23 5.401 13.266 1.060 166 H PHE 24 HN PHE 24 4.705 12.169 -1.106 167 HA PHE 24 HA PHE 24 1.926 13.059 -1.154 168 HD1 PHE 24 HD1 PHE 24 3.960 12.248 -4.555 169 HD2 PHE 24 HD2 PHE 24 5.674 15.054 -1.861 170 HE1 PHE 24 HE1 PHE 24 6.163 11.867 -5.575 171 HE2 PHE 24 HE2 PHE 24 7.886 14.678 -2.873 172 HZ PHE 24 HZ PHE 24 8.132 13.083 -4.733 173 HB2 PHE 24 HB2 PHE 24 2.630 14.157 -3.327 174 HB3 PHE 24 HB1 PHE 24 3.396 14.762 -1.864 175 H ASP 25 HN ASP 25 4.043 10.714 -2.706 176 HA ASP 25 HA ASP 25 1.681 9.457 -3.861 177 HB2 ASP 25 HB2 ASP 25 4.058 10.269 -5.544 178 HB3 ASP 25 HB1 ASP 25 2.762 9.208 -6.084 179 H HIS 26 HN HIS 26 1.937 7.674 -2.572 180 HA HIS 26 HA HIS 26 4.422 6.317 -2.263 181 HD1 HIS 26 HD1 HIS 26 4.465 3.538 -2.215 182 HD2 HIS 26 HD2 HIS 26 0.826 3.451 -0.227 183 HE1 HIS 26 HE1 HIS 26 4.043 1.117 -1.697 184 HE2 HIS 26 HE2 HIS 26 1.826 1.086 -0.502 185 HB2 HIS 26 HB2 HIS 26 3.038 5.913 -0.483 186 HB3 HIS 26 HB1 HIS 26 1.586 5.832 -1.463 187 H LYS 27 HN LYS 27 2.033 6.334 -4.743 188 HA LYS 27 HA LYS 27 2.025 3.851 -5.798 189 HB2 LYS 27 HB2 LYS 27 2.070 6.551 -7.077 190 HB3 LYS 27 HB1 LYS 27 2.066 5.117 -8.068 191 HG2 LYS 27 HG2 LYS 27 0.035 5.063 -5.995 192 HG3 LYS 27 HG1 LYS 27 -0.140 6.418 -7.115 193 HD2 LYS 27 HD2 LYS 27 0.321 3.612 -8.043 194 HD3 LYS 27 HD1 LYS 27 -1.300 4.241 -7.749 195 HE2 LYS 27 HE2 LYS 27 0.740 5.297 -9.703 196 HE3 LYS 27 HE1 LYS 27 -0.753 4.447 -10.097 197 HZ1 LYS 27 HZ1 LYS 27 -0.493 7.142 -8.882 198 HZ2 LYS 27 HZ2 LYS 27 -1.961 6.313 -9.018 199 HZ3 LYS 27 HZ3 LYS 27 -1.113 6.761 -10.411 200 H LYS 28 HN LYS 28 4.466 6.352 -6.516 201 HA LYS 28 HA LYS 28 6.142 4.726 -8.073 202 HB2 LYS 28 HB2 LYS 28 6.319 7.203 -7.924 203 HB3 LYS 28 HB1 LYS 28 6.904 7.043 -6.273 204 HG2 LYS 28 HG2 LYS 28 8.769 7.437 -7.717 205 HG3 LYS 28 HG1 LYS 28 8.848 5.770 -7.143 206 HD2 LYS 28 HD2 LYS 28 7.397 6.205 -9.678 207 HD3 LYS 28 HD1 LYS 28 9.141 6.473 -9.726 208 HE2 LYS 28 HE2 LYS 28 7.835 3.976 -8.655 209 HE3 LYS 28 HE1 LYS 28 8.443 4.149 -10.300 210 HZ1 LYS 28 HZ1 LYS 28 10.041 3.061 -8.827 211 HZ2 LYS 28 HZ2 LYS 28 10.079 4.433 -7.839 212 HZ3 LYS 28 HZ3 LYS 28 10.648 4.522 -9.429 213 H PHE 29 HN PHE 29 6.046 5.446 -4.639 214 HA PHE 29 HA PHE 29 8.241 3.931 -3.823 215 HD1 PHE 29 HD2 PHE 29 8.712 2.782 -1.720 216 HD2 PHE 29 HD1 PHE 29 5.035 4.430 -0.354 217 HE1 PHE 29 HE2 PHE 29 8.815 1.361 0.294 218 HE2 PHE 29 HE1 PHE 29 5.137 3.020 1.653 219 HZ PHE 29 HZ PHE 29 7.021 1.477 1.972 220 HB2 PHE 29 HB2 PHE 29 7.426 5.422 -2.235 221 HB3 PHE 29 HB1 PHE 29 5.757 4.934 -2.472 222 H PHE 30 HN PHE 30 5.019 3.018 -4.741 223 HA PHE 30 HA PHE 30 4.927 0.419 -3.649 224 HD1 PHE 30 HD1 PHE 30 3.051 -1.659 -5.618 225 HD2 PHE 30 HD2 PHE 30 1.882 1.713 -3.305 226 HE1 PHE 30 HE1 PHE 30 1.390 -3.046 -4.442 227 HE2 PHE 30 HE2 PHE 30 0.229 0.331 -2.119 228 HZ PHE 30 HZ PHE 30 -0.016 -2.052 -2.688 229 HB2 PHE 30 HB2 PHE 30 3.257 1.985 -5.238 230 HB3 PHE 30 HB1 PHE 30 3.669 0.620 -6.272 231 H GLN 31 HN GLN 31 6.548 1.784 -6.384 232 HA GLN 31 HA GLN 31 7.210 -0.772 -7.553 233 HB2 GLN 31 HB2 GLN 31 8.343 1.900 -8.305 234 HB3 GLN 31 HB1 GLN 31 8.200 0.467 -9.310 235 HG2 GLN 31 HG2 GLN 31 5.709 0.727 -9.127 236 HG3 GLN 31 HG1 GLN 31 6.002 2.281 -8.352 237 HE21 GLN 31 HE21 GLN 31 4.982 3.415 -9.997 238 HE22 GLN 31 HE22 GLN 31 5.696 3.623 -11.556 239 H MET 32 HN MET 32 8.900 1.836 -5.854 240 HA MET 32 HA MET 32 11.420 0.505 -5.862 241 HB2 MET 32 HB2 MET 32 10.319 2.878 -4.399 242 HB3 MET 32 HB1 MET 32 11.905 2.227 -3.999 243 HG2 MET 32 HG2 MET 32 11.039 3.196 -6.707 244 HG3 MET 32 HG1 MET 32 12.049 4.080 -5.569 245 HE1 MET 32 HE1 MET 32 14.622 3.140 -8.353 246 HE2 MET 32 HE2 MET 32 13.935 4.442 -7.381 247 HE3 MET 32 HE3 MET 32 12.935 3.608 -8.572 248 H VAL 33 HN VAL 33 8.635 0.408 -3.800 249 HA VAL 33 HA VAL 33 9.874 -0.595 -1.461 250 HB VAL 33 HB VAL 33 7.595 0.391 -1.506 251 HG11 VAL 33 HG11 VAL 33 6.637 -2.239 -2.540 252 HG12 VAL 33 HG12 VAL 33 6.995 -0.895 -3.612 253 HG13 VAL 33 HG13 VAL 33 5.747 -0.730 -2.377 254 HG21 VAL 33 HG21 VAL 33 8.169 -0.821 0.440 255 HG22 VAL 33 HG22 VAL 33 7.948 -2.358 -0.393 256 HG23 VAL 33 HG23 VAL 33 6.551 -1.351 -0.017 257 H GLY 34 HN GLY 34 8.929 -2.066 -4.418 258 HA2 GLY 34 HA2 GLY 34 9.641 -4.181 -5.159 259 HA3 GLY 34 HA1 GLY 34 10.026 -4.605 -3.498 260 H LEU 35 HN LEU 35 6.948 -3.196 -4.141 261 HA LEU 35 HA LEU 35 5.575 -5.529 -3.181 262 HG LEU 35 HG LEU 35 3.784 -2.604 -1.936 263 HB2 LEU 35 HB2 LEU 35 4.866 -2.756 -3.931 264 HB3 LEU 35 HB1 LEU 35 3.604 -3.943 -4.146 265 HD11 LEU 35 HD11 LEU 35 3.339 -5.545 -1.781 266 HD12 LEU 35 HD12 LEU 35 2.219 -4.412 -2.516 267 HD13 LEU 35 HD13 LEU 35 2.602 -4.284 -0.799 268 HD21 LEU 35 HD21 LEU 35 5.784 -2.863 -0.956 269 HD22 LEU 35 HD22 LEU 35 6.055 -4.452 -1.658 270 HD23 LEU 35 HD23 LEU 35 4.987 -4.273 -0.275 271 H LYS 36 HN LYS 36 6.099 -3.950 -6.264 272 HA LYS 36 HA LYS 36 4.402 -5.711 -7.750 273 HB2 LYS 36 HB2 LYS 36 6.568 -3.773 -8.562 274 HB3 LYS 36 HB1 LYS 36 5.651 -4.721 -9.723 275 HG2 LYS 36 HG2 LYS 36 3.867 -3.377 -9.588 276 HG3 LYS 36 HG1 LYS 36 3.986 -3.237 -7.831 277 HD2 LYS 36 HD2 LYS 36 4.347 -1.084 -9.123 278 HD3 LYS 36 HD1 LYS 36 5.604 -1.530 -7.986 279 HE2 LYS 36 HE2 LYS 36 6.409 -0.694 -10.194 280 HE3 LYS 36 HE1 LYS 36 7.033 -2.276 -9.738 281 HZ1 LYS 36 HZ1 LYS 36 5.382 -3.299 -11.171 282 HZ2 LYS 36 HZ2 LYS 36 6.335 -2.216 -12.055 283 HZ3 LYS 36 HZ3 LYS 36 4.766 -1.780 -11.595 284 H LYS 37 HN LYS 37 7.649 -5.777 -6.566 285 HA LYS 37 HA LYS 37 9.083 -7.344 -8.236 286 HB2 LYS 37 HB2 LYS 37 9.890 -6.477 -6.078 287 HB3 LYS 37 HB1 LYS 37 8.921 -7.674 -5.227 288 HG2 LYS 37 HG2 LYS 37 10.807 -8.705 -7.255 289 HG3 LYS 37 HG1 LYS 37 11.511 -8.008 -5.796 290 HD2 LYS 37 HD2 LYS 37 10.283 -9.528 -4.404 291 HD3 LYS 37 HD1 LYS 37 9.364 -10.130 -5.786 292 HE2 LYS 37 HE2 LYS 37 11.406 -11.039 -6.760 293 HE3 LYS 37 HE1 LYS 37 12.347 -10.401 -5.412 294 HZ1 LYS 37 HZ1 LYS 37 10.207 -12.451 -5.207 295 HZ2 LYS 37 HZ2 LYS 37 11.113 -11.841 -3.916 296 HZ3 LYS 37 HZ3 LYS 37 11.871 -12.749 -5.126 297 H LYS 38 HN LYS 38 6.581 -8.463 -6.002 298 HA LYS 38 HA LYS 38 6.827 -11.162 -7.106 299 HB2 LYS 38 HB2 LYS 38 6.750 -10.473 -4.558 300 HB3 LYS 38 HB1 LYS 38 5.018 -10.460 -4.836 301 HG2 LYS 38 HG2 LYS 38 4.903 -12.727 -5.049 302 HG3 LYS 38 HG1 LYS 38 6.518 -12.848 -5.748 303 HD2 LYS 38 HD2 LYS 38 5.920 -12.250 -2.858 304 HD3 LYS 38 HD1 LYS 38 6.349 -13.842 -3.489 305 HE2 LYS 38 HE2 LYS 38 8.463 -12.779 -4.376 306 HE3 LYS 38 HE1 LYS 38 8.048 -11.353 -3.425 307 HZ1 LYS 38 HZ1 LYS 38 9.572 -12.794 -2.234 308 HZ2 LYS 38 HZ2 LYS 38 8.490 -14.088 -2.349 309 HZ3 LYS 38 HZ3 LYS 38 8.084 -12.727 -1.431 310 H SER 39 HN SER 39 3.920 -11.585 -6.162 311 HA SER 39 HA SER 39 2.656 -10.304 -8.490 312 HG SER 39 HG SER 39 3.255 -12.186 -9.768 313 HB2 SER 39 HB2 SER 39 2.102 -13.043 -7.322 314 HB3 SER 39 HB1 SER 39 1.191 -12.301 -8.639 315 H ALA 40 HN ALA 40 0.306 -9.981 -8.303 316 HA ALA 40 HA ALA 40 -0.435 -8.483 -6.117 317 HB1 ALA 40 HB1 ALA 40 -2.483 -10.036 -7.644 318 HB2 ALA 40 HB2 ALA 40 -1.538 -8.778 -8.438 319 HB3 ALA 40 HB3 ALA 40 -2.550 -8.377 -7.049 320 H ASP 41 HN ASP 41 -0.506 -11.936 -6.514 321 HA ASP 41 HA ASP 41 -2.335 -12.537 -4.433 322 HB2 ASP 41 HB2 ASP 41 -0.142 -14.231 -5.642 323 HB3 ASP 41 HB1 ASP 41 -1.422 -14.831 -4.593 324 H ASP 42 HN ASP 42 1.233 -12.785 -4.515 325 HA ASP 42 HA ASP 42 1.526 -13.418 -1.799 326 HB2 ASP 42 HB2 ASP 42 3.463 -12.054 -3.682 327 HB3 ASP 42 HB1 ASP 42 3.892 -12.692 -2.098 328 H VAL 43 HN VAL 43 1.760 -10.265 -3.446 329 HA VAL 43 HA VAL 43 2.279 -8.761 -1.130 330 HB VAL 43 HB VAL 43 1.397 -6.813 -2.454 331 HG11 VAL 43 HG11 VAL 43 3.708 -8.328 -2.802 332 HG12 VAL 43 HG12 VAL 43 3.452 -6.665 -3.332 333 HG13 VAL 43 HG13 VAL 43 3.135 -8.004 -4.438 334 HG21 VAL 43 HG21 VAL 43 1.208 -7.706 -5.007 335 HG22 VAL 43 HG22 VAL 43 -0.181 -7.379 -3.975 336 HG23 VAL 43 HG23 VAL 43 0.433 -9.024 -4.135 337 H LYS 44 HN LYS 44 -0.683 -9.850 -2.641 338 HA LYS 44 HA LYS 44 -2.598 -8.414 -1.248 339 HB2 LYS 44 HB2 LYS 44 -2.506 -10.975 -2.695 340 HB3 LYS 44 HB1 LYS 44 -3.775 -10.865 -1.489 341 HG2 LYS 44 HG2 LYS 44 -4.746 -8.982 -2.555 342 HG3 LYS 44 HG1 LYS 44 -3.362 -8.804 -3.637 343 HD2 LYS 44 HD2 LYS 44 -3.969 -10.616 -4.930 344 HD3 LYS 44 HD1 LYS 44 -4.878 -11.375 -3.621 345 HE2 LYS 44 HE2 LYS 44 -6.628 -9.716 -3.840 346 HE3 LYS 44 HE1 LYS 44 -5.714 -8.883 -5.097 347 HZ1 LYS 44 HZ1 LYS 44 -6.784 -11.648 -5.276 348 HZ2 LYS 44 HZ2 LYS 44 -5.909 -10.853 -6.485 349 HZ3 LYS 44 HZ3 LYS 44 -7.438 -10.286 -6.038 350 H LYS 45 HN LYS 45 -0.593 -11.017 -0.179 351 HA LYS 45 HA LYS 45 -2.106 -12.079 1.898 352 HB2 LYS 45 HB2 LYS 45 0.899 -11.797 1.757 353 HB3 LYS 45 HB1 LYS 45 0.024 -12.867 2.839 354 HG2 LYS 45 HG2 LYS 45 0.445 -13.090 -0.110 355 HG3 LYS 45 HG1 LYS 45 0.711 -14.288 1.154 356 HD2 LYS 45 HD2 LYS 45 -1.872 -14.143 1.456 357 HD3 LYS 45 HD1 LYS 45 -1.834 -13.447 -0.165 358 HE2 LYS 45 HE2 LYS 45 -2.210 -15.811 -0.351 359 HE3 LYS 45 HE1 LYS 45 -0.592 -15.442 -0.945 360 HZ1 LYS 45 HZ1 LYS 45 -1.214 -16.485 1.766 361 HZ2 LYS 45 HZ2 LYS 45 0.330 -16.196 1.139 362 HZ3 LYS 45 HZ3 LYS 45 -0.638 -17.416 0.476 363 H VAL 46 HN VAL 46 0.110 -9.301 1.856 364 HA VAL 46 HA VAL 46 0.080 -8.796 4.603 365 HB VAL 46 HB VAL 46 1.530 -7.628 2.855 366 HG11 VAL 46 HG11 VAL 46 0.764 -5.746 1.709 367 HG12 VAL 46 HG12 VAL 46 -0.679 -5.610 2.716 368 HG13 VAL 46 HG13 VAL 46 -0.555 -6.903 1.527 369 HG21 VAL 46 HG21 VAL 46 1.858 -5.732 4.242 370 HG22 VAL 46 HG22 VAL 46 1.347 -7.060 5.284 371 HG23 VAL 46 HG23 VAL 46 0.199 -5.800 4.836 372 H PHE 47 HN PHE 47 -2.304 -8.300 2.141 373 HA PHE 47 HA PHE 47 -3.902 -6.348 3.161 374 HD1 PHE 47 HD1 PHE 47 -5.549 -5.263 2.328 375 HD2 PHE 47 HD2 PHE 47 -7.155 -9.148 1.671 376 HE1 PHE 47 HE1 PHE 47 -7.826 -4.331 2.409 377 HE2 PHE 47 HE2 PHE 47 -9.434 -8.224 1.748 378 HZ PHE 47 HZ PHE 47 -9.771 -5.813 2.117 379 HB2 PHE 47 HB2 PHE 47 -4.341 -7.518 1.033 380 HB3 PHE 47 HB1 PHE 47 -4.892 -8.911 1.959 381 H HIS 48 HN HIS 48 -3.853 -9.759 4.055 382 HA HIS 48 HA HIS 48 -5.987 -9.585 5.927 383 HD1 HIS 48 HD1 HIS 48 -3.429 -12.839 7.739 384 HD2 HIS 48 HD2 HIS 48 -7.414 -11.800 7.175 385 HE1 HIS 48 HE1 HIS 48 -4.668 -13.843 9.684 386 HE2 HIS 48 HE2 HIS 48 -7.088 -13.278 9.273 387 HB2 HIS 48 HB2 HIS 48 -5.401 -11.734 4.960 388 HB3 HIS 48 HB1 HIS 48 -3.771 -11.624 5.615 389 H ILE 49 HN ILE 49 -2.569 -9.055 6.013 390 HA ILE 49 HA ILE 49 -2.205 -9.098 8.822 391 HB ILE 49 HB ILE 49 -0.614 -7.552 6.774 392 HG12 ILE 49 HG12 ILE 49 -0.743 -9.852 6.047 393 HG13 ILE 49 HG11 ILE 49 0.859 -9.566 6.720 394 HG21 ILE 49 HG21 ILE 49 -0.128 -6.927 9.068 395 HG22 ILE 49 HG22 ILE 49 1.225 -7.825 8.379 396 HG23 ILE 49 HG23 ILE 49 0.117 -8.620 9.499 397 HD11 ILE 49 HD11 ILE 49 0.189 -10.652 8.791 398 HD12 ILE 49 HD12 ILE 49 -0.034 -11.719 7.403 399 HD13 ILE 49 HD13 ILE 49 -1.426 -10.920 8.134 400 H LEU 50 HN LEU 50 -2.594 -6.459 6.471 401 HA LEU 50 HA LEU 50 -2.808 -4.512 8.582 402 HG LEU 50 HG LEU 50 -3.356 -5.214 4.999 403 HB2 LEU 50 HB2 LEU 50 -2.794 -2.910 6.807 404 HB3 LEU 50 HB1 LEU 50 -1.550 -4.101 6.535 405 HD11 LEU 50 HD11 LEU 50 -4.679 -3.432 3.836 406 HD12 LEU 50 HD12 LEU 50 -4.269 -2.348 5.165 407 HD13 LEU 50 HD13 LEU 50 -5.218 -3.799 5.472 408 HD21 LEU 50 HD21 LEU 50 -2.478 -3.852 3.115 409 HD22 LEU 50 HD22 LEU 50 -1.225 -4.438 4.209 410 HD23 LEU 50 HD23 LEU 50 -1.754 -2.758 4.296 411 H ASP 51 HN ASP 51 -4.980 -6.192 6.384 412 HA ASP 51 HA ASP 51 -7.207 -4.478 7.188 413 HB2 ASP 51 HB2 ASP 51 -6.830 -5.233 4.790 414 HB3 ASP 51 HB1 ASP 51 -7.345 -6.814 5.345 415 H LYS 52 HN LYS 52 -6.187 -5.916 9.306 416 HA LYS 52 HA LYS 52 -7.502 -8.398 9.708 417 HB2 LYS 52 HB2 LYS 52 -6.658 -8.306 11.936 418 HB3 LYS 52 HB1 LYS 52 -5.424 -7.625 10.881 419 HG2 LYS 52 HG2 LYS 52 -6.203 -5.369 11.485 420 HG3 LYS 52 HG1 LYS 52 -7.349 -6.093 12.612 421 HD2 LYS 52 HD2 LYS 52 -4.349 -6.360 12.724 422 HD3 LYS 52 HD1 LYS 52 -5.348 -5.339 13.762 423 HE2 LYS 52 HE2 LYS 52 -6.516 -7.365 14.564 424 HE3 LYS 52 HE1 LYS 52 -5.423 -8.349 13.591 425 HZ1 LYS 52 HZ1 LYS 52 -4.625 -6.555 15.819 426 HZ2 LYS 52 HZ2 LYS 52 -3.566 -7.478 14.879 427 HZ3 LYS 52 HZ3 LYS 52 -4.691 -8.245 15.882 428 H ASP 53 HN ASP 53 -8.165 -5.110 10.911 429 HA ASP 53 HA ASP 53 -10.840 -6.041 11.708 430 HB2 ASP 53 HB2 ASP 53 -10.858 -4.135 13.296 431 HB3 ASP 53 HB1 ASP 53 -9.570 -5.289 13.626 432 H LYS 54 HN LYS 54 -9.308 -4.315 9.329 433 HA LYS 54 HA LYS 54 -10.870 -2.022 9.032 434 HB2 LYS 54 HB2 LYS 54 -9.728 -3.650 6.786 435 HB3 LYS 54 HB1 LYS 54 -10.127 -1.939 6.785 436 HG2 LYS 54 HG2 LYS 54 -7.982 -3.207 8.468 437 HG3 LYS 54 HG1 LYS 54 -7.715 -2.337 6.957 438 HD2 LYS 54 HD2 LYS 54 -8.456 -0.291 7.901 439 HD3 LYS 54 HD1 LYS 54 -9.093 -1.104 9.333 440 HE2 LYS 54 HE2 LYS 54 -6.180 -0.996 8.564 441 HE3 LYS 54 HE1 LYS 54 -6.949 0.071 9.740 442 HZ1 LYS 54 HZ1 LYS 54 -6.753 -2.886 9.945 443 HZ2 LYS 54 HZ2 LYS 54 -7.512 -1.875 11.068 444 HZ3 LYS 54 HZ3 LYS 54 -5.841 -1.770 10.830 445 H SER 55 HN SER 55 -11.715 -5.307 8.676 446 HA SER 55 HA SER 55 -13.751 -6.266 8.325 447 HG SER 55 HG SER 55 -16.604 -4.986 8.732 448 HB2 SER 55 HB2 SER 55 -14.746 -4.134 9.191 449 HB3 SER 55 HB1 SER 55 -14.800 -3.544 7.530 450 H GLY 56 HN GLY 56 -11.694 -6.081 6.339 451 HA2 GLY 56 HA2 GLY 56 -11.537 -6.977 4.203 452 HA3 GLY 56 HA1 GLY 56 -13.281 -6.860 4.055 453 H PHE 57 HN PHE 57 -12.592 -3.870 4.998 454 HA PHE 57 HA PHE 57 -11.763 -2.916 2.351 455 HD1 PHE 57 HD2 PHE 57 -15.314 -3.983 3.890 456 HD2 PHE 57 HD1 PHE 57 -13.933 -2.182 0.290 457 HE1 PHE 57 HE2 PHE 57 -16.784 -5.466 2.589 458 HE2 PHE 57 HE1 PHE 57 -15.401 -3.661 -1.019 459 HZ PHE 57 HZ PHE 57 -16.828 -5.307 0.131 460 HB2 PHE 57 HB2 PHE 57 -14.131 -1.856 3.907 461 HB3 PHE 57 HB1 PHE 57 -13.496 -1.159 2.417 462 H ILE 58 HN ILE 58 -10.404 -1.227 2.376 463 HA ILE 58 HA ILE 58 -9.756 -0.078 5.007 464 HB ILE 58 HB ILE 58 -7.948 0.440 2.708 465 HG12 ILE 58 HG12 ILE 58 -8.104 -2.273 4.047 466 HG13 ILE 58 HG11 ILE 58 -8.448 -1.936 2.354 467 HG21 ILE 58 HG21 ILE 58 -7.143 -0.554 5.402 468 HG22 ILE 58 HG22 ILE 58 -7.778 1.081 5.235 469 HG23 ILE 58 HG23 ILE 58 -6.334 0.601 4.342 470 HD11 ILE 58 HD11 ILE 58 -6.261 -2.921 2.590 471 HD12 ILE 58 HD12 ILE 58 -5.783 -1.655 3.722 472 HD13 ILE 58 HD13 ILE 58 -6.114 -1.254 2.036 473 H GLU 59 HN GLU 59 -10.390 1.852 5.417 474 HA GLU 59 HA GLU 59 -11.343 3.559 3.245 475 HB2 GLU 59 HB2 GLU 59 -12.109 3.018 6.032 476 HB3 GLU 59 HB1 GLU 59 -12.263 4.699 5.522 477 HG2 GLU 59 HG2 GLU 59 -13.674 3.976 3.643 478 HG3 GLU 59 HG1 GLU 59 -13.542 2.310 4.206 479 H GLU 60 HN GLU 60 -10.494 5.432 2.837 480 HA GLU 60 HA GLU 60 -8.038 6.313 3.280 481 HB2 GLU 60 HB2 GLU 60 -8.949 8.675 3.059 482 HB3 GLU 60 HB1 GLU 60 -9.383 7.534 1.790 483 HG2 GLU 60 HG2 GLU 60 -11.557 7.433 2.418 484 HG3 GLU 60 HG1 GLU 60 -11.172 7.741 4.111 485 H ASP 61 HN ASP 61 -10.634 6.652 5.623 486 HA ASP 61 HA ASP 61 -9.319 8.486 7.320 487 HB2 ASP 61 HB2 ASP 61 -11.455 6.426 7.922 488 HB3 ASP 61 HB1 ASP 61 -10.920 7.656 9.064 489 H GLU 62 HN GLU 62 -9.616 4.945 7.467 490 HA GLU 62 HA GLU 62 -7.578 4.811 9.542 491 HB2 GLU 62 HB2 GLU 62 -8.980 2.539 8.120 492 HB3 GLU 62 HB1 GLU 62 -8.057 2.440 9.613 493 HG2 GLU 62 HG2 GLU 62 -9.726 3.892 10.703 494 HG3 GLU 62 HG1 GLU 62 -10.667 3.882 9.212 495 H LEU 63 HN LEU 63 -7.852 4.572 6.134 496 HA LEU 63 HA LEU 63 -5.833 2.905 5.353 497 HG LEU 63 HG LEU 63 -5.887 4.373 2.003 498 HB2 LEU 63 HB2 LEU 63 -7.539 4.511 4.092 499 HB3 LEU 63 HB1 LEU 63 -6.104 5.502 3.952 500 HD11 LEU 63 HD11 LEU 63 -3.984 3.642 3.446 501 HD12 LEU 63 HD12 LEU 63 -4.362 2.550 2.116 502 HD13 LEU 63 HD13 LEU 63 -4.870 2.150 3.757 503 HD21 LEU 63 HD21 LEU 63 -6.738 1.987 1.739 504 HD22 LEU 63 HD22 LEU 63 -7.937 3.261 1.961 505 HD23 LEU 63 HD23 LEU 63 -7.503 2.220 3.311 506 H GLY 64 HN GLY 64 -5.601 6.317 6.180 507 HA2 GLY 64 HA2 GLY 64 -2.810 6.539 5.751 508 HA3 GLY 64 HA1 GLY 64 -3.799 7.653 6.694 509 H SER 65 HN SER 65 -4.708 5.394 8.412 510 HA SER 65 HA SER 65 -2.542 5.534 10.314 511 HG SER 65 HG SER 65 -4.217 3.316 12.202 512 HB2 SER 65 HB2 SER 65 -4.908 5.715 11.042 513 HB3 SER 65 HB1 SER 65 -5.188 4.065 10.484 514 H ILE 66 HN ILE 66 -4.414 2.871 8.894 515 HA ILE 66 HA ILE 66 -2.829 0.768 9.691 516 HB ILE 66 HB ILE 66 -5.027 0.565 8.566 517 HG12 ILE 66 HG12 ILE 66 -4.550 -1.505 7.431 518 HG13 ILE 66 HG11 ILE 66 -2.876 -1.015 7.211 519 HG21 ILE 66 HG21 ILE 66 -3.476 1.041 6.035 520 HG22 ILE 66 HG22 ILE 66 -4.612 2.177 6.764 521 HG23 ILE 66 HG23 ILE 66 -5.186 0.624 6.154 522 HD11 ILE 66 HD11 ILE 66 -4.181 -1.511 9.868 523 HD12 ILE 66 HD12 ILE 66 -2.481 -1.139 9.584 524 HD13 ILE 66 HD13 ILE 66 -3.160 -2.659 9.007 525 H LEU 67 HN LEU 67 -2.178 3.176 7.290 526 HA LEU 67 HA LEU 67 -0.469 2.044 5.507 527 HG LEU 67 HG LEU 67 -0.614 5.444 4.407 528 HB2 LEU 67 HB2 LEU 67 -1.003 4.640 6.561 529 HB3 LEU 67 HB1 LEU 67 0.728 4.469 6.369 530 HD11 LEU 67 HD11 LEU 67 1.273 3.140 4.026 531 HD12 LEU 67 HD12 LEU 67 1.707 4.839 4.208 532 HD13 LEU 67 HD13 LEU 67 0.837 4.297 2.772 533 HD21 LEU 67 HD21 LEU 67 -2.144 4.219 3.379 534 HD22 LEU 67 HD22 LEU 67 -1.967 3.014 4.652 535 HD23 LEU 67 HD23 LEU 67 -1.009 2.885 3.182 536 H LYS 68 HN LYS 68 0.482 3.231 8.745 537 HA LYS 68 HA LYS 68 3.170 2.807 8.529 538 HB2 LYS 68 HB2 LYS 68 2.980 2.363 11.103 539 HB3 LYS 68 HB1 LYS 68 2.653 3.935 10.392 540 HG2 LYS 68 HG2 LYS 68 1.044 3.186 12.143 541 HG3 LYS 68 HG1 LYS 68 0.356 3.699 10.602 542 HD2 LYS 68 HD2 LYS 68 -0.773 1.700 11.360 543 HD3 LYS 68 HD1 LYS 68 0.194 1.315 9.937 544 HE2 LYS 68 HE2 LYS 68 1.949 0.405 11.372 545 HE3 LYS 68 HE1 LYS 68 0.999 0.811 12.799 546 HZ1 LYS 68 HZ1 LYS 68 0.171 -1.091 10.672 547 HZ2 LYS 68 HZ2 LYS 68 -0.709 -0.720 12.067 548 HZ3 LYS 68 HZ3 LYS 68 0.773 -1.523 12.194 549 H GLY 69 HN GLY 69 0.836 0.270 8.461 550 HA2 GLY 69 HA2 GLY 69 2.090 -1.835 9.702 551 HA3 GLY 69 HA1 GLY 69 1.250 -1.993 8.161 552 H PHE 70 HN PHE 70 2.745 -0.616 6.441 553 HA PHE 70 HA PHE 70 5.269 -2.088 6.379 554 HD1 PHE 70 HD2 PHE 70 1.846 -2.201 4.771 555 HD2 PHE 70 HD1 PHE 70 4.242 0.956 3.214 556 HE1 PHE 70 HE2 PHE 70 -0.182 -1.061 3.976 557 HE2 PHE 70 HE1 PHE 70 2.210 2.105 2.409 558 HZ PHE 70 HZ PHE 70 0.000 1.092 2.793 559 HB2 PHE 70 HB2 PHE 70 5.254 -1.027 3.961 560 HB3 PHE 70 HB1 PHE 70 4.304 -2.464 4.317 561 H SER 71 HN SER 71 3.895 1.093 5.976 562 HA SER 71 HA SER 71 6.295 2.550 5.689 563 HG SER 71 HG SER 71 3.435 3.912 4.169 564 HB2 SER 71 HB2 SER 71 3.643 3.671 6.552 565 HB3 SER 71 HB1 SER 71 4.942 4.477 5.673 566 H SER 72 HN SER 72 5.333 1.014 8.434 567 HA SER 72 HA SER 72 5.288 2.792 10.500 568 HG SER 72 HG SER 72 7.444 0.163 9.625 569 HB2 SER 72 HB2 SER 72 6.691 1.005 11.771 570 HB3 SER 72 HB1 SER 72 5.105 0.554 11.155 571 H ASP 73 HN ASP 73 8.021 2.093 8.451 572 HA ASP 73 HA ASP 73 9.764 3.709 10.177 573 HB2 ASP 73 HB2 ASP 73 10.621 2.175 7.733 574 HB3 ASP 73 HB1 ASP 73 11.613 2.788 9.052 575 H ALA 74 HN ALA 74 7.656 4.930 8.659 576 HA ALA 74 HA ALA 74 9.092 7.036 7.427 577 HB1 ALA 74 HB1 ALA 74 8.509 6.752 5.129 578 HB2 ALA 74 HB2 ALA 74 7.529 5.331 5.497 579 HB3 ALA 74 HB3 ALA 74 9.281 5.264 5.673 580 H ARG 75 HN ARG 75 7.045 7.897 5.618 581 HA ARG 75 HA ARG 75 5.140 8.914 7.543 582 HE ARG 75 HE ARG 75 8.164 12.242 7.111 583 HB2 ARG 75 HB2 ARG 75 5.454 9.473 4.588 584 HB3 ARG 75 HB1 ARG 75 4.381 10.341 5.677 585 HG2 ARG 75 HG2 ARG 75 7.384 10.250 5.862 586 HG3 ARG 75 HG1 ARG 75 6.416 11.597 5.256 587 HD2 ARG 75 HD2 ARG 75 5.366 11.842 7.443 588 HD3 ARG 75 HD1 ARG 75 6.298 10.469 8.053 589 HH11 ARG 75 HH11 ARG 75 5.594 12.337 9.458 590 HH12 ARG 75 HH12 ARG 75 6.382 13.507 10.465 591 HH21 ARG 75 HH21 ARG 75 9.211 13.781 8.429 592 HH22 ARG 75 HH22 ARG 75 8.438 14.329 9.879 593 H ASP 76 HN ASP 76 2.844 9.297 6.208 594 HA ASP 76 HA ASP 76 1.898 6.579 5.553 595 HB2 ASP 76 HB2 ASP 76 -0.176 7.067 6.668 596 HB3 ASP 76 HB1 ASP 76 1.131 7.485 7.768 597 H LEU 77 HN LEU 77 -0.704 7.320 4.796 598 HA LEU 77 HA LEU 77 -0.155 8.570 2.209 599 HG LEU 77 HG LEU 77 -3.577 8.267 2.911 600 HB2 LEU 77 HB2 LEU 77 -1.535 7.061 1.347 601 HB3 LEU 77 HB1 LEU 77 -1.491 6.274 2.907 602 HD11 LEU 77 HD11 LEU 77 -4.982 6.913 1.238 603 HD12 LEU 77 HD12 LEU 77 -3.422 6.435 0.561 604 HD13 LEU 77 HD13 LEU 77 -3.874 8.138 0.627 605 HD21 LEU 77 HD21 LEU 77 -4.591 6.686 4.079 606 HD22 LEU 77 HD22 LEU 77 -3.063 5.812 3.999 607 HD23 LEU 77 HD23 LEU 77 -4.335 5.469 2.831 608 H SER 78 HN SER 78 -0.846 10.564 1.735 609 HA SER 78 HA SER 78 -2.655 11.869 3.653 610 HG SER 78 HG SER 78 -1.234 15.029 2.746 611 HB2 SER 78 HB2 SER 78 -0.459 12.937 3.429 612 HB3 SER 78 HB1 SER 78 -0.705 13.099 1.690 613 H ALA 79 HN ALA 79 -3.532 14.006 2.225 614 HA ALA 79 HA ALA 79 -5.771 13.126 0.902 615 HB1 ALA 79 HB1 ALA 79 -6.011 15.358 0.027 616 HB2 ALA 79 HB2 ALA 79 -4.292 15.674 0.272 617 HB3 ALA 79 HB3 ALA 79 -5.356 15.453 1.663 618 H LYS 80 HN LYS 80 -2.729 14.204 -0.582 619 HA LYS 80 HA LYS 80 -3.383 13.756 -3.240 620 HB2 LYS 80 HB2 LYS 80 -0.696 13.464 -1.885 621 HB3 LYS 80 HB1 LYS 80 -0.936 13.562 -3.625 622 HG2 LYS 80 HG2 LYS 80 -1.941 15.803 -3.315 623 HG3 LYS 80 HG1 LYS 80 -1.556 15.699 -1.597 624 HD2 LYS 80 HD2 LYS 80 0.821 15.482 -2.145 625 HD3 LYS 80 HD1 LYS 80 0.433 15.589 -3.864 626 HE2 LYS 80 HE2 LYS 80 -0.506 17.833 -3.489 627 HE3 LYS 80 HE1 LYS 80 -0.057 17.723 -1.788 628 HZ1 LYS 80 HZ1 LYS 80 1.585 18.970 -3.019 629 HZ2 LYS 80 HZ2 LYS 80 1.816 17.685 -4.094 630 HZ3 LYS 80 HZ3 LYS 80 2.267 17.521 -2.472 631 H GLU 81 HN GLU 81 -1.988 11.522 -0.886 632 HA GLU 81 HA GLU 81 -1.805 9.333 -2.705 633 HB2 GLU 81 HB2 GLU 81 -1.802 9.189 0.304 634 HB3 GLU 81 HB1 GLU 81 -1.071 8.052 -0.805 635 HG2 GLU 81 HG2 GLU 81 0.395 10.023 -1.556 636 HG3 GLU 81 HG1 GLU 81 -0.133 10.790 -0.059 637 H THR 82 HN THR 82 -4.267 10.555 -0.521 638 HA THR 82 HA THR 82 -5.792 8.175 -0.377 639 HB THR 82 HB THR 82 -6.752 11.054 -0.326 640 HG1 THR 82 HG1 THR 82 -5.471 10.747 1.441 641 HG21 THR 82 HG21 THR 82 -8.151 8.519 0.540 642 HG22 THR 82 HG22 THR 82 -8.570 9.508 -0.859 643 HG23 THR 82 HG23 THR 82 -8.758 10.159 0.769 644 H LYS 83 HN LYS 83 -5.873 10.982 -2.495 645 HA LYS 83 HA LYS 83 -7.718 9.833 -4.348 646 HB2 LYS 83 HB2 LYS 83 -5.906 12.242 -4.576 647 HB3 LYS 83 HB1 LYS 83 -7.148 11.809 -5.742 648 HG2 LYS 83 HG2 LYS 83 -7.633 12.486 -2.849 649 HG3 LYS 83 HG1 LYS 83 -7.882 13.575 -4.215 650 HD2 LYS 83 HD2 LYS 83 -9.315 10.966 -3.718 651 HD3 LYS 83 HD1 LYS 83 -9.992 12.584 -3.524 652 HE2 LYS 83 HE2 LYS 83 -9.020 11.354 -6.102 653 HE3 LYS 83 HE1 LYS 83 -10.702 11.593 -5.633 654 HZ1 LYS 83 HZ1 LYS 83 -10.294 13.988 -5.595 655 HZ2 LYS 83 HZ2 LYS 83 -9.980 13.332 -7.122 656 HZ3 LYS 83 HZ3 LYS 83 -8.698 13.735 -6.096 657 H THR 84 HN THR 84 -4.215 9.970 -4.032 658 HA THR 84 HA THR 84 -3.819 9.051 -6.735 659 HB THR 84 HB THR 84 -1.789 9.621 -4.601 660 HG1 THR 84 HG1 THR 84 -3.085 11.386 -5.660 661 HG21 THR 84 HG21 THR 84 -0.949 7.968 -6.201 662 HG22 THR 84 HG22 THR 84 -0.136 9.518 -6.412 663 HG23 THR 84 HG23 THR 84 -1.400 9.026 -7.539 664 H LEU 85 HN LEU 85 -2.853 7.845 -3.549 665 HA LEU 85 HA LEU 85 -2.098 5.295 -4.620 666 HG LEU 85 HG LEU 85 -2.451 3.720 -2.134 667 HB2 LEU 85 HB2 LEU 85 -0.858 6.166 -2.777 668 HB3 LEU 85 HB1 LEU 85 -2.312 6.330 -1.811 669 HD11 LEU 85 HD11 LEU 85 0.492 4.264 -2.478 670 HD12 LEU 85 HD12 LEU 85 -0.585 3.567 -3.688 671 HD13 LEU 85 HD13 LEU 85 -0.243 2.685 -2.200 672 HD21 LEU 85 HD21 LEU 85 -1.207 3.445 -0.050 673 HD22 LEU 85 HD22 LEU 85 -2.245 4.870 0.002 674 HD23 LEU 85 HD23 LEU 85 -0.509 5.053 -0.254 675 H MET 86 HN MET 86 -4.708 6.340 -2.381 676 HA MET 86 HA MET 86 -5.833 3.747 -2.201 677 HB2 MET 86 HB2 MET 86 -6.255 5.971 -0.803 678 HB3 MET 86 HB1 MET 86 -7.600 6.118 -1.927 679 HG2 MET 86 HG2 MET 86 -8.374 3.885 -1.273 680 HG3 MET 86 HG1 MET 86 -7.070 3.804 -0.090 681 HE1 MET 86 HE1 MET 86 -10.316 7.070 0.121 682 HE2 MET 86 HE2 MET 86 -10.137 5.978 -1.253 683 HE3 MET 86 HE3 MET 86 -8.882 7.167 -0.901 684 H ALA 87 HN ALA 87 -6.706 6.545 -4.207 685 HA ALA 87 HA ALA 87 -8.865 5.262 -5.505 686 HB1 ALA 87 HB1 ALA 87 -7.447 7.410 -6.945 687 HB2 ALA 87 HB2 ALA 87 -8.079 7.808 -5.345 688 HB3 ALA 87 HB3 ALA 87 -9.165 7.211 -6.603 689 H ALA 88 HN ALA 88 -5.414 5.503 -6.290 690 HA ALA 88 HA ALA 88 -5.557 4.563 -8.927 691 HB1 ALA 88 HB1 ALA 88 -3.511 5.502 -8.195 692 HB2 ALA 88 HB2 ALA 88 -3.187 3.803 -8.537 693 HB3 ALA 88 HB3 ALA 88 -3.373 4.347 -6.869 694 H GLY 89 HN GLY 89 -4.677 2.699 -6.005 695 HA2 GLY 89 HA2 GLY 89 -4.749 0.183 -7.192 696 HA3 GLY 89 HA1 GLY 89 -5.040 0.489 -5.485 697 H ASP 90 HN ASP 90 -7.316 2.035 -5.656 698 HA ASP 90 HA ASP 90 -9.260 0.002 -6.398 699 HB2 ASP 90 HB2 ASP 90 -9.360 0.844 -4.088 700 HB3 ASP 90 HB1 ASP 90 -9.608 2.480 -4.689 701 H LYS 91 HN LYS 91 -8.112 1.413 -8.477 702 HA LYS 91 HA LYS 91 -9.042 3.613 -9.566 703 HB2 LYS 91 HB2 LYS 91 -9.526 1.852 -11.681 704 HB3 LYS 91 HB1 LYS 91 -8.051 2.744 -11.353 705 HG2 LYS 91 HG2 LYS 91 -7.602 0.395 -11.720 706 HG3 LYS 91 HG1 LYS 91 -7.207 0.842 -10.061 707 HD2 LYS 91 HD2 LYS 91 -8.367 -1.119 -9.724 708 HD3 LYS 91 HD1 LYS 91 -9.660 0.070 -9.600 709 HE2 LYS 91 HE2 LYS 91 -10.365 -0.347 -11.844 710 HE3 LYS 91 HE1 LYS 91 -8.957 -1.364 -12.149 711 HZ1 LYS 91 HZ1 LYS 91 -9.797 -2.942 -10.516 712 HZ2 LYS 91 HZ2 LYS 91 -10.923 -2.697 -11.754 713 HZ3 LYS 91 HZ3 LYS 91 -11.153 -1.969 -10.245 714 H ASP 92 HN ASP 92 -11.212 0.897 -8.962 715 HA ASP 92 HA ASP 92 -13.319 1.655 -10.620 716 HB2 ASP 92 HB2 ASP 92 -13.390 0.304 -7.915 717 HB3 ASP 92 HB1 ASP 92 -14.780 0.444 -8.988 718 H GLY 93 HN GLY 93 -12.084 3.191 -7.810 719 HA2 GLY 93 HA2 GLY 93 -12.642 5.239 -6.910 720 HA3 GLY 93 HA1 GLY 93 -13.933 5.362 -8.094 721 H ASP 94 HN ASP 94 -13.114 3.424 -5.211 722 HA ASP 94 HA ASP 94 -15.942 3.626 -4.422 723 HB2 ASP 94 HB2 ASP 94 -13.919 1.493 -3.713 724 HB3 ASP 94 HB1 ASP 94 -15.580 1.549 -3.133 725 H GLY 95 HN GLY 95 -12.879 4.777 -3.635 726 HA2 GLY 95 HA2 GLY 95 -12.423 6.267 -1.872 727 HA3 GLY 95 HA1 GLY 95 -13.884 5.711 -1.080 728 H LYS 96 HN LYS 96 -12.571 2.952 -1.846 729 HA LYS 96 HA LYS 96 -10.579 2.761 0.261 730 HB2 LYS 96 HB2 LYS 96 -11.894 0.602 1.003 731 HB3 LYS 96 HB1 LYS 96 -12.330 2.169 1.660 732 HG2 LYS 96 HG2 LYS 96 -13.799 1.737 -0.745 733 HG3 LYS 96 HG1 LYS 96 -13.964 0.327 0.300 734 HD2 LYS 96 HD2 LYS 96 -15.713 1.987 0.738 735 HD3 LYS 96 HD1 LYS 96 -14.672 1.752 2.143 736 HE2 LYS 96 HE2 LYS 96 -13.449 3.785 1.607 737 HE3 LYS 96 HE1 LYS 96 -14.418 4.001 0.148 738 HZ1 LYS 96 HZ1 LYS 96 -16.378 4.276 1.513 739 HZ2 LYS 96 HZ2 LYS 96 -15.196 5.392 1.978 740 HZ3 LYS 96 HZ3 LYS 96 -15.479 4.019 2.922 741 H ILE 97 HN ILE 97 -9.332 0.791 0.145 742 HA ILE 97 HA ILE 97 -9.425 -0.402 -2.540 743 HB ILE 97 HB ILE 97 -7.156 -0.244 -0.547 744 HG12 ILE 97 HG12 ILE 97 -7.539 0.977 -3.288 745 HG13 ILE 97 HG11 ILE 97 -7.571 1.840 -1.752 746 HG21 ILE 97 HG21 ILE 97 -5.763 -1.336 -2.235 747 HG22 ILE 97 HG22 ILE 97 -7.177 -1.551 -3.268 748 HG23 ILE 97 HG23 ILE 97 -7.083 -2.387 -1.718 749 HD11 ILE 97 HD11 ILE 97 -5.448 2.031 -3.073 750 HD12 ILE 97 HD12 ILE 97 -5.172 0.320 -2.735 751 HD13 ILE 97 HD13 ILE 97 -5.258 1.481 -1.408 752 H GLY 98 HN GLY 98 -10.459 -2.280 -2.612 753 HA2 GLY 98 HA2 GLY 98 -10.586 -3.979 -0.253 754 HA3 GLY 98 HA1 GLY 98 -11.462 -4.222 -1.757 755 H VAL 99 HN VAL 99 -10.607 -6.451 -1.034 756 HA VAL 99 HA VAL 99 -7.883 -7.081 -1.442 757 HB VAL 99 HB VAL 99 -9.458 -8.535 -0.194 758 HG11 VAL 99 HG11 VAL 99 -10.992 -9.978 -1.353 759 HG12 VAL 99 HG12 VAL 99 -10.479 -9.337 -2.913 760 HG13 VAL 99 HG13 VAL 99 -11.351 -8.304 -1.779 761 HG21 VAL 99 HG21 VAL 99 -8.574 -10.660 -1.029 762 HG22 VAL 99 HG22 VAL 99 -7.325 -9.416 -0.979 763 HG23 VAL 99 HG23 VAL 99 -8.063 -9.863 -2.517 764 H GLU 100 HN GLU 100 -10.597 -6.808 -3.624 765 HA GLU 100 HA GLU 100 -9.381 -8.208 -5.792 766 HB2 GLU 100 HB2 GLU 100 -11.341 -6.212 -6.591 767 HB3 GLU 100 HB1 GLU 100 -11.330 -7.941 -6.882 768 HG2 GLU 100 HG2 GLU 100 -12.259 -6.536 -4.412 769 HG3 GLU 100 HG1 GLU 100 -13.289 -7.263 -5.643 770 H GLU 101 HN GLU 101 -10.038 -4.793 -5.160 771 HA GLU 101 HA GLU 101 -8.576 -3.823 -7.374 772 HB2 GLU 101 HB2 GLU 101 -9.871 -2.677 -4.976 773 HB3 GLU 101 HB1 GLU 101 -8.652 -1.696 -5.767 774 HG2 GLU 101 HG2 GLU 101 -11.014 -1.313 -6.511 775 HG3 GLU 101 HG1 GLU 101 -9.859 -1.651 -7.803 776 H PHE 102 HN PHE 102 -7.599 -4.705 -4.134 777 HA PHE 102 HA PHE 102 -5.289 -3.202 -3.827 778 HD1 PHE 102 HD2 PHE 102 -5.242 -3.238 -0.820 779 HD2 PHE 102 HD1 PHE 102 -3.019 -6.193 -2.890 780 HE1 PHE 102 HE2 PHE 102 -3.281 -2.726 0.578 781 HE2 PHE 102 HE1 PHE 102 -1.041 -5.701 -1.499 782 HZ PHE 102 HZ PHE 102 -1.175 -3.959 0.238 783 HB2 PHE 102 HB2 PHE 102 -6.316 -4.920 -2.206 784 HB3 PHE 102 HB1 PHE 102 -5.380 -6.117 -3.077 785 H SER 103 HN SER 103 -5.945 -5.891 -5.917 786 HA SER 103 HA SER 103 -3.207 -6.389 -6.615 787 HG SER 103 HG SER 103 -4.197 -8.913 -8.744 788 HB2 SER 103 HB2 SER 103 -4.861 -8.183 -6.804 789 HB3 SER 103 HB1 SER 103 -5.784 -7.232 -7.967 790 H THR 104 HN THR 104 -5.881 -4.500 -7.906 791 HA THR 104 HA THR 104 -4.757 -3.866 -10.391 792 HB THR 104 HB THR 104 -6.623 -2.113 -8.744 793 HG1 THR 104 HG1 THR 104 -8.089 -3.533 -9.294 794 HG21 THR 104 HG21 THR 104 -7.193 -1.634 -11.342 795 HG22 THR 104 HG22 THR 104 -5.465 -1.959 -11.467 796 HG23 THR 104 HG23 THR 104 -6.045 -0.676 -10.407 797 H LEU 105 HN LEU 105 -4.251 -2.536 -7.199 798 HA LEU 105 HA LEU 105 -2.983 -0.148 -7.880 799 HG LEU 105 HG LEU 105 -3.112 1.080 -5.588 800 HB2 LEU 105 HB2 LEU 105 -3.669 -1.232 -5.573 801 HB3 LEU 105 HB1 LEU 105 -1.986 -1.710 -5.555 802 HD11 LEU 105 HD11 LEU 105 -1.446 -0.504 -3.665 803 HD12 LEU 105 HD12 LEU 105 -3.033 0.206 -3.402 804 HD13 LEU 105 HD13 LEU 105 -1.618 1.246 -3.567 805 HD21 LEU 105 HD21 LEU 105 -0.776 1.855 -5.688 806 HD22 LEU 105 HD22 LEU 105 -1.307 1.047 -7.165 807 HD23 LEU 105 HD23 LEU 105 -0.267 0.197 -6.018 808 H VAL 106 HN VAL 106 -1.764 -3.442 -7.749 809 HA VAL 106 HA VAL 106 0.983 -2.839 -7.951 810 HB VAL 106 HB VAL 106 -0.472 -5.284 -8.976 811 HG11 VAL 106 HG11 VAL 106 1.708 -6.393 -8.795 812 HG12 VAL 106 HG12 VAL 106 2.448 -4.856 -8.351 813 HG13 VAL 106 HG13 VAL 106 1.744 -5.066 -9.954 814 HG21 VAL 106 HG21 VAL 106 0.208 -6.311 -6.850 815 HG22 VAL 106 HG22 VAL 106 -0.870 -4.938 -6.605 816 HG23 VAL 106 HG23 VAL 106 0.862 -4.761 -6.321 817 H ALA 107 HN ALA 107 -1.580 -3.169 -10.311 818 HA ALA 107 HA ALA 107 0.186 -2.972 -12.581 819 HB1 ALA 107 HB1 ALA 107 -1.828 -3.012 -13.913 820 HB2 ALA 107 HB2 ALA 107 -2.819 -2.730 -12.481 821 HB3 ALA 107 HB3 ALA 107 -1.934 -4.245 -12.657 822 H GLU 108 HN GLU 108 -1.635 -0.836 -10.549 823 HA GLU 108 HA GLU 108 -1.778 1.398 -12.269 824 HB2 GLU 108 HB2 GLU 108 -1.828 1.164 -9.266 825 HB3 GLU 108 HB1 GLU 108 -2.083 2.681 -10.123 826 HG2 GLU 108 HG2 GLU 108 -3.721 0.325 -10.858 827 HG3 GLU 108 HG1 GLU 108 -4.107 1.203 -9.378 828 H SER 109 HN SER 109 0.204 1.075 -9.341 829 HA SER 109 HA SER 109 1.949 3.157 -9.892 830 HG SER 109 HG SER 109 1.760 0.105 -7.460 831 HB2 SER 109 HB2 SER 109 3.295 1.180 -8.367 832 HB3 SER 109 HB1 SER 109 2.503 2.642 -7.791 Start of MODEL 3 1 HA SER 1 HA SER 1 6.007 -6.198 8.150 2 HG SER 1 HG SER 1 3.100 -6.067 9.601 3 H1 SER 1 HT1 SER 1 6.132 -4.864 6.098 4 H2 SER 1 HT2 SER 1 5.058 -4.249 7.248 5 H3 SER 1 HT3 SER 1 4.465 -5.068 5.893 6 HB2 SER 1 HB2 SER 1 3.208 -6.739 7.125 7 HB3 SER 1 HB1 SER 1 3.987 -7.599 8.453 8 H MET 2 HN MET 2 4.937 -6.608 4.840 9 HA MET 2 HA MET 2 5.363 -9.322 4.500 10 HB2 MET 2 HB2 MET 2 5.672 -7.010 2.604 11 HB3 MET 2 HB1 MET 2 5.903 -8.676 2.094 12 HG2 MET 2 HG2 MET 2 3.400 -7.899 3.502 13 HG3 MET 2 HG1 MET 2 3.595 -7.515 1.795 14 HE1 MET 2 HE1 MET 2 3.164 -10.010 4.524 15 HE2 MET 2 HE2 MET 2 4.525 -10.970 3.939 16 HE3 MET 2 HE3 MET 2 2.877 -11.562 3.737 17 H THR 3 HN THR 3 7.123 -10.543 4.719 18 HA THR 3 HA THR 3 9.755 -9.320 4.212 19 HB THR 3 HB THR 3 10.686 -10.777 6.016 20 HG1 THR 3 HG1 THR 3 9.003 -12.291 6.187 21 HG21 THR 3 HG21 THR 3 10.244 -8.420 6.448 22 HG22 THR 3 HG22 THR 3 9.891 -9.383 7.884 23 HG23 THR 3 HG23 THR 3 8.574 -8.794 6.870 24 H ASP 4 HN ASP 4 7.858 -12.303 4.336 25 HA ASP 4 HA ASP 4 9.918 -13.803 2.962 26 HB2 ASP 4 HB2 ASP 4 8.609 -14.945 4.657 27 HB3 ASP 4 HB1 ASP 4 7.115 -14.558 3.812 28 H LEU 5 HN LEU 5 7.082 -12.000 2.149 29 HA LEU 5 HA LEU 5 7.037 -13.141 -0.552 30 HG LEU 5 HG LEU 5 4.869 -14.187 0.314 31 HB2 LEU 5 HB2 LEU 5 5.111 -11.217 0.751 32 HB3 LEU 5 HB1 LEU 5 4.926 -11.937 -0.833 33 HD11 LEU 5 HD11 LEU 5 5.719 -14.017 2.410 34 HD12 LEU 5 HD12 LEU 5 4.016 -13.763 2.789 35 HD13 LEU 5 HD13 LEU 5 5.102 -12.383 2.651 36 HD21 LEU 5 HD21 LEU 5 2.849 -13.085 -0.494 37 HD22 LEU 5 HD22 LEU 5 2.720 -12.192 1.021 38 HD23 LEU 5 HD23 LEU 5 2.538 -13.946 1.013 39 H LEU 6 HN LEU 6 6.545 -9.846 0.720 40 HA LEU 6 HA LEU 6 7.652 -8.657 -1.640 41 HG LEU 6 HG LEU 6 4.914 -8.275 0.015 42 HB2 LEU 6 HB2 LEU 6 6.928 -7.418 1.019 43 HB3 LEU 6 HB1 LEU 6 7.326 -6.526 -0.435 44 HD11 LEU 6 HD11 LEU 6 4.773 -6.078 1.048 45 HD12 LEU 6 HD12 LEU 6 3.680 -6.189 -0.330 46 HD13 LEU 6 HD13 LEU 6 5.206 -5.315 -0.482 47 HD21 LEU 6 HD21 LEU 6 5.727 -8.574 -2.256 48 HD22 LEU 6 HD22 LEU 6 5.789 -6.826 -2.478 49 HD23 LEU 6 HD23 LEU 6 4.237 -7.632 -2.250 50 H SER 7 HN SER 7 9.598 -7.511 -1.829 51 HA SER 7 HA SER 7 11.802 -8.599 -0.522 52 HG SER 7 HG SER 7 11.481 -6.024 -3.437 53 HB2 SER 7 HB2 SER 7 12.299 -5.886 -1.445 54 HB3 SER 7 HB1 SER 7 12.967 -7.406 -2.030 55 H ALA 8 HN ALA 8 12.139 -8.454 1.628 56 HA ALA 8 HA ALA 8 11.110 -6.397 3.271 57 HB1 ALA 8 HB1 ALA 8 11.610 -8.659 4.090 58 HB2 ALA 8 HB2 ALA 8 12.399 -7.414 5.059 59 HB3 ALA 8 HB3 ALA 8 13.332 -8.343 3.883 60 H GLU 9 HN GLU 9 14.303 -7.015 1.932 61 HA GLU 9 HA GLU 9 15.739 -4.991 3.186 62 HB2 GLU 9 HB2 GLU 9 16.937 -6.647 2.005 63 HB3 GLU 9 HB1 GLU 9 16.013 -6.388 0.534 64 HG2 GLU 9 HG2 GLU 9 17.072 -4.176 0.299 65 HG3 GLU 9 HG1 GLU 9 18.056 -4.535 1.722 66 H ASP 10 HN ASP 10 13.806 -4.931 0.239 67 HA ASP 10 HA ASP 10 14.472 -2.289 -0.563 68 HB2 ASP 10 HB2 ASP 10 12.083 -3.998 -1.168 69 HB3 ASP 10 HB1 ASP 10 12.527 -2.543 -2.059 70 H ILE 11 HN ILE 11 11.559 -3.627 0.983 71 HA ILE 11 HA ILE 11 10.081 -1.284 1.216 72 HB ILE 11 HB ILE 11 10.215 -3.618 3.124 73 HG12 ILE 11 HG12 ILE 11 7.966 -3.373 1.236 74 HG13 ILE 11 HG11 ILE 11 9.528 -3.766 0.523 75 HG21 ILE 11 HG21 ILE 11 8.123 -2.958 4.014 76 HG22 ILE 11 HG22 ILE 11 7.870 -1.759 2.744 77 HG23 ILE 11 HG23 ILE 11 9.106 -1.495 3.979 78 HD11 ILE 11 HD11 ILE 11 8.481 -5.815 0.955 79 HD12 ILE 11 HD12 ILE 11 7.956 -5.301 2.558 80 HD13 ILE 11 HD13 ILE 11 9.661 -5.618 2.249 81 H LYS 12 HN LYS 12 12.698 -2.518 3.235 82 HA LYS 12 HA LYS 12 12.360 -0.605 5.312 83 HB2 LYS 12 HB2 LYS 12 14.673 -2.357 4.494 84 HB3 LYS 12 HB1 LYS 12 14.774 -1.245 5.852 85 HG2 LYS 12 HG2 LYS 12 12.798 -2.400 6.845 86 HG3 LYS 12 HG1 LYS 12 12.921 -3.593 5.551 87 HD2 LYS 12 HD2 LYS 12 15.144 -4.209 6.273 88 HD3 LYS 12 HD1 LYS 12 15.134 -2.934 7.492 89 HE2 LYS 12 HE2 LYS 12 14.672 -5.053 8.546 90 HE3 LYS 12 HE1 LYS 12 13.225 -4.047 8.593 91 HZ1 LYS 12 HZ1 LYS 12 12.407 -5.267 6.638 92 HZ2 LYS 12 HZ2 LYS 12 12.640 -6.277 7.975 93 HZ3 LYS 12 HZ3 LYS 12 13.762 -6.280 6.709 94 H LYS 13 HN LYS 13 14.640 -0.810 2.576 95 HA LYS 13 HA LYS 13 15.850 1.716 3.068 96 HB2 LYS 13 HB2 LYS 13 15.693 0.274 0.422 97 HB3 LYS 13 HB1 LYS 13 16.908 1.435 0.934 98 HG2 LYS 13 HG2 LYS 13 18.001 -0.083 2.262 99 HG3 LYS 13 HG1 LYS 13 16.569 -1.096 2.465 100 HD2 LYS 13 HD2 LYS 13 16.820 -2.104 0.397 101 HD3 LYS 13 HD1 LYS 13 17.765 -0.755 -0.250 102 HE2 LYS 13 HE2 LYS 13 19.637 -1.377 1.212 103 HE3 LYS 13 HE1 LYS 13 18.703 -2.742 1.815 104 HZ1 LYS 13 HZ1 LYS 13 19.976 -3.704 0.180 105 HZ2 LYS 13 HZ2 LYS 13 19.923 -2.351 -0.831 106 HZ3 LYS 13 HZ3 LYS 13 18.566 -3.349 -0.687 107 H ALA 14 HN ALA 14 13.504 0.640 0.639 108 HA ALA 14 HA ALA 14 13.106 3.025 -0.689 109 HB1 ALA 14 HB1 ALA 14 10.939 1.009 -0.175 110 HB2 ALA 14 HB2 ALA 14 12.262 0.734 -1.306 111 HB3 ALA 14 HB3 ALA 14 11.134 2.066 -1.573 112 H ILE 15 HN ILE 15 11.513 1.823 2.229 113 HA ILE 15 HA ILE 15 9.609 3.880 2.400 114 HB ILE 15 HB ILE 15 10.633 1.872 4.342 115 HG12 ILE 15 HG12 ILE 15 8.102 2.488 2.854 116 HG13 ILE 15 HG11 ILE 15 9.205 1.156 2.554 117 HG21 ILE 15 HG21 ILE 15 10.087 3.921 5.652 118 HG22 ILE 15 HG22 ILE 15 8.972 2.590 5.961 119 HG23 ILE 15 HG23 ILE 15 8.485 3.920 4.914 120 HD11 ILE 15 HD11 ILE 15 7.442 0.162 3.662 121 HD12 ILE 15 HD12 ILE 15 7.225 1.557 4.718 122 HD13 ILE 15 HD13 ILE 15 8.588 0.465 4.974 123 H GLY 16 HN GLY 16 12.735 3.449 4.102 124 HA2 GLY 16 HA2 GLY 16 12.493 6.116 5.252 125 HA3 GLY 16 HA1 GLY 16 13.746 4.942 5.609 126 H ALA 17 HN ALA 17 13.667 4.972 2.345 127 HA ALA 17 HA ALA 17 16.023 6.636 2.216 128 HB1 ALA 17 HB1 ALA 17 16.139 5.918 -0.135 129 HB2 ALA 17 HB2 ALA 17 14.593 5.093 0.059 130 HB3 ALA 17 HB3 ALA 17 15.999 4.560 0.980 131 H PHE 18 HN PHE 18 12.806 6.696 0.703 132 HA PHE 18 HA PHE 18 13.123 9.578 0.367 133 HD1 PHE 18 HD1 PHE 18 11.391 6.423 -0.450 134 HD2 PHE 18 HD2 PHE 18 11.843 8.664 -4.040 135 HE1 PHE 18 HE1 PHE 18 9.869 4.874 -1.604 136 HE2 PHE 18 HE2 PHE 18 10.310 7.127 -5.191 137 HZ PHE 18 HZ PHE 18 9.322 5.232 -3.973 138 HB2 PHE 18 HB2 PHE 18 12.501 9.593 -1.898 139 HB3 PHE 18 HB1 PHE 18 13.686 8.307 -1.746 140 H THR 19 HN THR 19 11.770 9.118 2.393 141 HA THR 19 HA THR 19 9.176 8.209 2.381 142 HB THR 19 HB THR 19 8.745 9.667 4.293 143 HG1 THR 19 HG1 THR 19 10.083 11.342 4.792 144 HG21 THR 19 HG21 THR 19 10.112 7.655 4.637 145 HG22 THR 19 HG22 THR 19 10.588 8.955 5.733 146 HG23 THR 19 HG23 THR 19 11.569 8.593 4.311 147 H ALA 20 HN ALA 20 10.280 11.514 1.646 148 HA ALA 20 HA ALA 20 7.949 12.840 1.264 149 HB1 ALA 20 HB1 ALA 20 9.114 14.237 -0.378 150 HB2 ALA 20 HB2 ALA 20 10.398 13.032 -0.483 151 HB3 ALA 20 HB3 ALA 20 10.123 13.898 1.028 152 H ALA 21 HN ALA 21 9.606 10.900 -1.242 153 HA ALA 21 HA ALA 21 7.793 11.220 -3.299 154 HB1 ALA 21 HB1 ALA 21 9.931 10.058 -3.563 155 HB2 ALA 21 HB2 ALA 21 8.591 9.095 -4.186 156 HB3 ALA 21 HB3 ALA 21 9.306 8.704 -2.622 157 H ASP 22 HN ASP 22 7.807 8.775 -0.765 158 HA ASP 22 HA ASP 22 5.351 7.563 -1.472 159 HB2 ASP 22 HB2 ASP 22 6.532 7.684 1.310 160 HB3 ASP 22 HB1 ASP 22 5.466 6.450 0.653 161 H SER 23 HN SER 23 6.289 10.275 0.470 162 HA SER 23 HA SER 23 3.990 10.762 1.933 163 HG SER 23 HG SER 23 4.230 13.678 2.369 164 HB2 SER 23 HB2 SER 23 6.374 11.918 1.887 165 HB3 SER 23 HB1 SER 23 5.562 13.037 0.785 166 H PHE 24 HN PHE 24 4.920 12.140 -1.229 167 HA PHE 24 HA PHE 24 2.177 13.073 -1.582 168 HD1 PHE 24 HD1 PHE 24 4.023 12.776 -5.161 169 HD2 PHE 24 HD2 PHE 24 6.276 14.413 -1.945 170 HE1 PHE 24 HE1 PHE 24 6.103 12.258 -6.364 171 HE2 PHE 24 HE2 PHE 24 8.364 13.898 -3.142 172 HZ PHE 24 HZ PHE 24 8.279 12.819 -5.355 173 HB2 PHE 24 HB2 PHE 24 3.044 14.374 -3.463 174 HB3 PHE 24 HB1 PHE 24 3.957 14.690 -1.991 175 H ASP 25 HN ASP 25 3.993 10.360 -2.435 176 HA ASP 25 HA ASP 25 1.919 9.360 -4.095 177 HB2 ASP 25 HB2 ASP 25 4.288 10.570 -5.414 178 HB3 ASP 25 HB1 ASP 25 3.693 9.048 -6.071 179 H HIS 26 HN HIS 26 2.019 7.565 -2.728 180 HA HIS 26 HA HIS 26 4.422 6.101 -2.285 181 HD1 HIS 26 HD1 HIS 26 3.921 5.305 0.858 182 HD2 HIS 26 HD2 HIS 26 0.762 7.521 -0.678 183 HE1 HIS 26 HE1 HIS 26 3.268 6.902 2.689 184 HE2 HIS 26 HE2 HIS 26 1.409 8.288 1.708 185 HB2 HIS 26 HB2 HIS 26 1.565 5.130 -1.978 186 HB3 HIS 26 HB1 HIS 26 2.999 4.371 -1.310 187 H LYS 27 HN LYS 27 2.323 6.308 -4.972 188 HA LYS 27 HA LYS 27 2.287 3.823 -6.062 189 HB2 LYS 27 HB2 LYS 27 2.606 6.513 -7.368 190 HB3 LYS 27 HB1 LYS 27 2.379 5.040 -8.281 191 HG2 LYS 27 HG2 LYS 27 0.385 5.228 -6.240 192 HG3 LYS 27 HG1 LYS 27 0.413 6.706 -7.207 193 HD2 LYS 27 HD2 LYS 27 0.434 3.992 -8.468 194 HD3 LYS 27 HD1 LYS 27 -1.077 4.781 -8.010 195 HE2 LYS 27 HE2 LYS 27 1.011 5.908 -9.876 196 HE3 LYS 27 HE1 LYS 27 -0.505 5.156 -10.372 197 HZ1 LYS 27 HZ1 LYS 27 -0.734 7.532 -10.388 198 HZ2 LYS 27 HZ2 LYS 27 -0.210 7.648 -8.784 199 HZ3 LYS 27 HZ3 LYS 27 -1.687 6.904 -9.138 200 H LYS 28 HN LYS 28 4.859 6.262 -6.462 201 HA LYS 28 HA LYS 28 6.605 4.668 -7.983 202 HB2 LYS 28 HB2 LYS 28 7.013 7.001 -6.126 203 HB3 LYS 28 HB1 LYS 28 8.396 6.172 -6.823 204 HG2 LYS 28 HG2 LYS 28 7.839 8.142 -8.115 205 HG3 LYS 28 HG1 LYS 28 7.585 6.681 -9.069 206 HD2 LYS 28 HD2 LYS 28 5.276 7.785 -7.553 207 HD3 LYS 28 HD1 LYS 28 5.805 8.641 -9.001 208 HE2 LYS 28 HE2 LYS 28 5.155 5.698 -8.915 209 HE3 LYS 28 HE1 LYS 28 4.016 6.951 -9.404 210 HZ1 LYS 28 HZ1 LYS 28 5.520 7.564 -11.194 211 HZ2 LYS 28 HZ2 LYS 28 5.082 5.936 -11.314 212 HZ3 LYS 28 HZ3 LYS 28 6.610 6.359 -10.725 213 H PHE 29 HN PHE 29 6.351 5.246 -4.513 214 HA PHE 29 HA PHE 29 8.374 3.575 -3.621 215 HD1 PHE 29 HD2 PHE 29 9.051 3.166 -1.201 216 HD2 PHE 29 HD1 PHE 29 4.821 2.899 -0.883 217 HE1 PHE 29 HE2 PHE 29 9.295 1.575 0.658 218 HE2 PHE 29 HE1 PHE 29 5.062 1.311 0.981 219 HZ PHE 29 HZ PHE 29 7.296 0.643 1.748 220 HB2 PHE 29 HB2 PHE 29 7.296 5.007 -2.044 221 HB3 PHE 29 HB1 PHE 29 5.715 4.328 -2.406 222 H PHE 30 HN PHE 30 5.095 2.862 -4.644 223 HA PHE 30 HA PHE 30 4.787 0.241 -3.824 224 HD1 PHE 30 HD1 PHE 30 3.047 -1.557 -6.230 225 HD2 PHE 30 HD2 PHE 30 1.854 1.611 -3.657 226 HE1 PHE 30 HE1 PHE 30 1.200 -2.944 -5.380 227 HE2 PHE 30 HE2 PHE 30 0.009 0.229 -2.799 228 HZ PHE 30 HZ PHE 30 -0.322 -2.054 -3.663 229 HB2 PHE 30 HB2 PHE 30 3.401 1.989 -5.455 230 HB3 PHE 30 HB1 PHE 30 3.858 0.694 -6.556 231 H GLN 31 HN GLN 31 6.665 1.571 -6.417 232 HA GLN 31 HA GLN 31 7.314 -0.975 -7.604 233 HB2 GLN 31 HB2 GLN 31 8.636 1.645 -8.202 234 HB3 GLN 31 HB1 GLN 31 8.414 0.270 -9.272 235 HG2 GLN 31 HG2 GLN 31 5.942 0.735 -9.135 236 HG3 GLN 31 HG1 GLN 31 6.356 2.229 -8.307 237 HE21 GLN 31 HE21 GLN 31 5.493 3.513 -9.915 238 HE22 GLN 31 HE22 GLN 31 6.252 3.705 -11.456 239 H MET 32 HN MET 32 9.048 1.476 -5.712 240 HA MET 32 HA MET 32 11.521 0.028 -5.733 241 HB2 MET 32 HB2 MET 32 11.070 1.901 -3.502 242 HB3 MET 32 HB1 MET 32 12.415 1.785 -4.620 243 HG2 MET 32 HG2 MET 32 10.631 2.736 -6.311 244 HG3 MET 32 HG1 MET 32 9.899 3.328 -4.815 245 HE1 MET 32 HE1 MET 32 14.162 4.405 -6.236 246 HE2 MET 32 HE2 MET 32 13.069 3.322 -7.099 247 HE3 MET 32 HE3 MET 32 13.763 2.828 -5.555 248 H VAL 33 HN VAL 33 8.775 0.223 -3.614 249 HA VAL 33 HA VAL 33 9.844 -1.075 -1.364 250 HB VAL 33 HB VAL 33 7.739 0.219 -1.353 251 HG11 VAL 33 HG11 VAL 33 6.302 -2.141 -2.463 252 HG12 VAL 33 HG12 VAL 33 7.009 -0.959 -3.565 253 HG13 VAL 33 HG13 VAL 33 5.802 -0.455 -2.382 254 HG21 VAL 33 HG21 VAL 33 7.437 -2.629 -0.449 255 HG22 VAL 33 HG22 VAL 33 6.474 -1.259 0.095 256 HG23 VAL 33 HG23 VAL 33 8.196 -1.323 0.464 257 H GLY 34 HN GLY 34 8.812 -2.274 -4.401 258 HA2 GLY 34 HA2 GLY 34 9.266 -4.421 -5.210 259 HA3 GLY 34 HA1 GLY 34 9.508 -4.969 -3.559 260 H LEU 35 HN LEU 35 6.651 -3.144 -4.066 261 HA LEU 35 HA LEU 35 4.982 -5.301 -3.322 262 HG LEU 35 HG LEU 35 4.292 -3.758 -1.744 263 HB2 LEU 35 HB2 LEU 35 4.640 -2.486 -4.039 264 HB3 LEU 35 HB1 LEU 35 3.300 -3.496 -4.543 265 HD11 LEU 35 HD11 LEU 35 2.551 -1.508 -2.751 266 HD12 LEU 35 HD12 LEU 35 4.131 -1.360 -1.984 267 HD13 LEU 35 HD13 LEU 35 2.753 -1.946 -1.054 268 HD21 LEU 35 HD21 LEU 35 2.561 -5.154 -1.807 269 HD22 LEU 35 HD22 LEU 35 1.998 -4.502 -3.344 270 HD23 LEU 35 HD23 LEU 35 1.533 -3.718 -1.832 271 H LYS 36 HN LYS 36 6.006 -3.905 -6.330 272 HA LYS 36 HA LYS 36 4.299 -5.569 -7.951 273 HB2 LYS 36 HB2 LYS 36 6.583 -3.701 -8.595 274 HB3 LYS 36 HB1 LYS 36 5.737 -4.633 -9.823 275 HG2 LYS 36 HG2 LYS 36 3.973 -3.251 -9.825 276 HG3 LYS 36 HG1 LYS 36 3.973 -3.102 -8.066 277 HD2 LYS 36 HD2 LYS 36 4.464 -0.968 -9.370 278 HD3 LYS 36 HD1 LYS 36 5.604 -1.405 -8.111 279 HE2 LYS 36 HE2 LYS 36 6.622 -0.632 -10.260 280 HE3 LYS 36 HE1 LYS 36 7.180 -2.206 -9.706 281 HZ1 LYS 36 HZ1 LYS 36 5.131 -1.715 -11.800 282 HZ2 LYS 36 HZ2 LYS 36 5.619 -3.238 -11.252 283 HZ3 LYS 36 HZ3 LYS 36 6.718 -2.243 -12.064 284 H LYS 37 HN LYS 37 7.434 -5.739 -6.499 285 HA LYS 37 HA LYS 37 8.867 -7.459 -8.078 286 HB2 LYS 37 HB2 LYS 37 9.346 -6.406 -5.702 287 HB3 LYS 37 HB1 LYS 37 8.797 -7.972 -5.118 288 HG2 LYS 37 HG2 LYS 37 11.076 -7.480 -7.023 289 HG3 LYS 37 HG1 LYS 37 11.209 -7.904 -5.316 290 HD2 LYS 37 HD2 LYS 37 9.992 -10.021 -5.823 291 HD3 LYS 37 HD1 LYS 37 10.076 -9.598 -7.536 292 HE2 LYS 37 HE2 LYS 37 11.873 -11.114 -7.002 293 HE3 LYS 37 HE1 LYS 37 12.532 -9.517 -7.363 294 HZ1 LYS 37 HZ1 LYS 37 12.114 -10.653 -4.651 295 HZ2 LYS 37 HZ2 LYS 37 12.709 -9.105 -4.979 296 HZ3 LYS 37 HZ3 LYS 37 13.603 -10.467 -5.433 297 H LYS 38 HN LYS 38 6.300 -8.241 -5.783 298 HA LYS 38 HA LYS 38 6.319 -11.028 -6.704 299 HB2 LYS 38 HB2 LYS 38 4.828 -9.763 -4.393 300 HB3 LYS 38 HB1 LYS 38 4.842 -11.473 -4.797 301 HG2 LYS 38 HG2 LYS 38 7.369 -10.001 -4.155 302 HG3 LYS 38 HG1 LYS 38 6.341 -10.690 -2.895 303 HD2 LYS 38 HD2 LYS 38 7.657 -12.501 -3.230 304 HD3 LYS 38 HD1 LYS 38 6.505 -12.803 -4.536 305 HE2 LYS 38 HE2 LYS 38 8.071 -11.466 -6.022 306 HE3 LYS 38 HE1 LYS 38 9.246 -11.574 -4.714 307 HZ1 LYS 38 HZ1 LYS 38 9.587 -13.320 -6.340 308 HZ2 LYS 38 HZ2 LYS 38 8.007 -13.880 -6.115 309 HZ3 LYS 38 HZ3 LYS 38 9.128 -13.984 -4.852 310 H SER 39 HN SER 39 3.878 -11.913 -6.586 311 HA SER 39 HA SER 39 2.478 -10.397 -8.626 312 HG SER 39 HG SER 39 2.578 -13.006 -10.010 313 HB2 SER 39 HB2 SER 39 1.833 -13.087 -7.392 314 HB3 SER 39 HB1 SER 39 1.005 -12.371 -8.775 315 H ALA 40 HN ALA 40 0.085 -10.084 -8.433 316 HA ALA 40 HA ALA 40 -0.591 -8.502 -6.282 317 HB1 ALA 40 HB1 ALA 40 -2.716 -10.086 -7.662 318 HB2 ALA 40 HB2 ALA 40 -1.770 -8.905 -8.567 319 HB3 ALA 40 HB3 ALA 40 -2.718 -8.391 -7.171 320 H ASP 41 HN ASP 41 -0.769 -11.971 -6.596 321 HA ASP 41 HA ASP 41 -2.483 -12.505 -4.423 322 HB2 ASP 41 HB2 ASP 41 -0.269 -14.246 -5.528 323 HB3 ASP 41 HB1 ASP 41 -1.623 -14.787 -4.539 324 H ASP 42 HN ASP 42 1.065 -12.359 -4.654 325 HA ASP 42 HA ASP 42 1.606 -13.036 -1.984 326 HB2 ASP 42 HB2 ASP 42 3.225 -11.257 -3.810 327 HB3 ASP 42 HB1 ASP 42 3.821 -12.110 -2.393 328 H VAL 43 HN VAL 43 1.451 -9.831 -3.539 329 HA VAL 43 HA VAL 43 1.875 -8.283 -1.258 330 HB VAL 43 HB VAL 43 0.765 -6.451 -2.473 331 HG11 VAL 43 HG11 VAL 43 2.798 -8.176 -3.785 332 HG12 VAL 43 HG12 VAL 43 2.942 -6.527 -3.171 333 HG13 VAL 43 HG13 VAL 43 2.127 -6.832 -4.706 334 HG21 VAL 43 HG21 VAL 43 0.012 -8.614 -4.434 335 HG22 VAL 43 HG22 VAL 43 -0.155 -6.883 -4.728 336 HG23 VAL 43 HG23 VAL 43 -1.088 -7.655 -3.445 337 H LYS 44 HN LYS 44 -1.054 -9.678 -2.587 338 HA LYS 44 HA LYS 44 -3.015 -8.395 -1.159 339 HB2 LYS 44 HB2 LYS 44 -2.748 -11.089 -2.368 340 HB3 LYS 44 HB1 LYS 44 -4.063 -10.863 -1.223 341 HG2 LYS 44 HG2 LYS 44 -4.977 -9.076 -2.539 342 HG3 LYS 44 HG1 LYS 44 -3.593 -9.121 -3.632 343 HD2 LYS 44 HD2 LYS 44 -4.205 -11.373 -4.334 344 HD3 LYS 44 HD1 LYS 44 -5.562 -11.368 -3.206 345 HE2 LYS 44 HE2 LYS 44 -6.569 -9.503 -4.418 346 HE3 LYS 44 HE1 LYS 44 -5.204 -9.482 -5.534 347 HZ1 LYS 44 HZ1 LYS 44 -7.099 -11.742 -5.172 348 HZ2 LYS 44 HZ2 LYS 44 -5.798 -11.706 -6.254 349 HZ3 LYS 44 HZ3 LYS 44 -7.103 -10.652 -6.466 350 H LYS 45 HN LYS 45 -0.722 -10.740 -0.003 351 HA LYS 45 HA LYS 45 -2.106 -11.645 2.268 352 HB2 LYS 45 HB2 LYS 45 0.809 -11.455 1.559 353 HB3 LYS 45 HB1 LYS 45 0.312 -11.974 3.164 354 HG2 LYS 45 HG2 LYS 45 0.717 -13.903 1.803 355 HG3 LYS 45 HG1 LYS 45 -1.013 -13.784 2.126 356 HD2 LYS 45 HD2 LYS 45 -1.305 -12.714 -0.093 357 HD3 LYS 45 HD1 LYS 45 0.410 -12.983 -0.410 358 HE2 LYS 45 HE2 LYS 45 -1.681 -15.095 0.099 359 HE3 LYS 45 HE1 LYS 45 -0.913 -14.729 -1.445 360 HZ1 LYS 45 HZ1 LYS 45 0.491 -15.735 0.971 361 HZ2 LYS 45 HZ2 LYS 45 1.202 -15.426 -0.532 362 HZ3 LYS 45 HZ3 LYS 45 0.067 -16.670 -0.373 363 H VAL 46 HN VAL 46 0.289 -9.041 1.883 364 HA VAL 46 HA VAL 46 0.319 -8.134 4.500 365 HB VAL 46 HB VAL 46 1.722 -7.343 2.465 366 HG11 VAL 46 HG11 VAL 46 1.073 -5.501 1.237 367 HG12 VAL 46 HG12 VAL 46 -0.142 -5.019 2.420 368 HG13 VAL 46 HG13 VAL 46 -0.441 -6.398 1.369 369 HG21 VAL 46 HG21 VAL 46 2.292 -5.257 3.634 370 HG22 VAL 46 HG22 VAL 46 2.127 -6.625 4.736 371 HG23 VAL 46 HG23 VAL 46 0.835 -5.430 4.613 372 H PHE 47 HN PHE 47 -2.123 -7.833 2.069 373 HA PHE 47 HA PHE 47 -3.526 -5.630 2.897 374 HD1 PHE 47 HD1 PHE 47 -5.039 -4.544 1.625 375 HD2 PHE 47 HD2 PHE 47 -7.064 -8.236 2.191 376 HE1 PHE 47 HE1 PHE 47 -7.193 -3.356 1.622 377 HE2 PHE 47 HE2 PHE 47 -9.221 -7.056 2.195 378 HZ PHE 47 HZ PHE 47 -9.289 -4.613 1.909 379 HB2 PHE 47 HB2 PHE 47 -4.126 -7.052 0.941 380 HB3 PHE 47 HB1 PHE 47 -4.783 -8.229 2.075 381 H HIS 48 HN HIS 48 -4.145 -8.983 3.947 382 HA HIS 48 HA HIS 48 -5.991 -8.168 5.945 383 HD1 HIS 48 HD1 HIS 48 -4.851 -11.354 3.305 384 HD2 HIS 48 HD2 HIS 48 -8.303 -10.247 5.338 385 HE1 HIS 48 HE1 HIS 48 -6.752 -11.906 1.754 386 HE2 HIS 48 HE2 HIS 48 -8.833 -11.237 3.007 387 HB2 HIS 48 HB2 HIS 48 -4.429 -10.767 5.730 388 HB3 HIS 48 HB1 HIS 48 -5.831 -10.496 6.758 389 H ILE 49 HN ILE 49 -2.541 -8.713 5.839 390 HA ILE 49 HA ILE 49 -1.894 -8.801 8.533 391 HB ILE 49 HB ILE 49 -0.411 -7.368 6.331 392 HG12 ILE 49 HG12 ILE 49 -0.428 -10.212 7.321 393 HG13 ILE 49 HG11 ILE 49 -0.610 -9.623 5.674 394 HG21 ILE 49 HG21 ILE 49 0.479 -8.215 9.085 395 HG22 ILE 49 HG22 ILE 49 0.412 -6.577 8.432 396 HG23 ILE 49 HG23 ILE 49 1.585 -7.732 7.798 397 HD11 ILE 49 HD11 ILE 49 1.538 -10.706 6.008 398 HD12 ILE 49 HD12 ILE 49 1.914 -9.560 7.296 399 HD13 ILE 49 HD13 ILE 49 1.741 -8.991 5.635 400 H LEU 50 HN LEU 50 -2.299 -5.982 6.415 401 HA LEU 50 HA LEU 50 -2.144 -4.198 8.673 402 HG LEU 50 HG LEU 50 -3.096 -4.501 5.120 403 HB2 LEU 50 HB2 LEU 50 -2.087 -2.467 7.048 404 HB3 LEU 50 HB1 LEU 50 -1.039 -3.755 6.523 405 HD11 LEU 50 HD11 LEU 50 -4.304 -2.425 4.308 406 HD12 LEU 50 HD12 LEU 50 -3.711 -1.635 5.767 407 HD13 LEU 50 HD13 LEU 50 -4.769 -3.040 5.891 408 HD21 LEU 50 HD21 LEU 50 -2.303 -3.119 3.265 409 HD22 LEU 50 HD22 LEU 50 -0.963 -3.785 4.198 410 HD23 LEU 50 HD23 LEU 50 -1.427 -2.096 4.404 411 H ASP 51 HN ASP 51 -4.660 -5.553 6.588 412 HA ASP 51 HA ASP 51 -6.622 -4.049 8.201 413 HB2 ASP 51 HB2 ASP 51 -8.193 -4.645 6.180 414 HB3 ASP 51 HB1 ASP 51 -7.187 -3.202 6.139 415 H LYS 52 HN LYS 52 -5.927 -6.123 9.481 416 HA LYS 52 HA LYS 52 -7.141 -8.580 8.726 417 HB2 LYS 52 HB2 LYS 52 -6.422 -9.418 10.818 418 HB3 LYS 52 HB1 LYS 52 -5.179 -8.293 10.295 419 HG2 LYS 52 HG2 LYS 52 -7.366 -7.514 12.198 420 HG3 LYS 52 HG1 LYS 52 -5.831 -8.204 12.729 421 HD2 LYS 52 HD2 LYS 52 -4.721 -6.337 11.390 422 HD3 LYS 52 HD1 LYS 52 -6.322 -5.598 11.314 423 HE2 LYS 52 HE2 LYS 52 -5.112 -4.649 13.162 424 HE3 LYS 52 HE1 LYS 52 -6.417 -5.659 13.787 425 HZ1 LYS 52 HZ1 LYS 52 -4.836 -7.414 14.211 426 HZ2 LYS 52 HZ2 LYS 52 -4.329 -5.996 14.984 427 HZ3 LYS 52 HZ3 LYS 52 -3.577 -6.495 13.553 428 H ASP 53 HN ASP 53 -8.160 -5.845 10.692 429 HA ASP 53 HA ASP 53 -10.735 -7.205 11.145 430 HB2 ASP 53 HB2 ASP 53 -9.496 -6.673 13.211 431 HB3 ASP 53 HB1 ASP 53 -9.494 -4.971 12.761 432 H LYS 54 HN LYS 54 -9.877 -5.586 8.779 433 HA LYS 54 HA LYS 54 -11.658 -3.274 9.007 434 HB2 LYS 54 HB2 LYS 54 -9.932 -3.985 6.659 435 HB3 LYS 54 HB1 LYS 54 -10.703 -2.451 7.025 436 HG2 LYS 54 HG2 LYS 54 -8.492 -3.709 8.628 437 HG3 LYS 54 HG1 LYS 54 -8.310 -2.378 7.483 438 HD2 LYS 54 HD2 LYS 54 -9.713 -0.960 8.834 439 HD3 LYS 54 HD1 LYS 54 -10.070 -2.296 9.930 440 HE2 LYS 54 HE2 LYS 54 -7.732 -2.397 10.597 441 HE3 LYS 54 HE1 LYS 54 -7.338 -1.107 9.462 442 HZ1 LYS 54 HZ1 LYS 54 -9.185 -0.831 11.771 443 HZ2 LYS 54 HZ2 LYS 54 -8.710 0.403 10.718 444 HZ3 LYS 54 HZ3 LYS 54 -7.576 -0.308 11.749 445 H SER 55 HN SER 55 -11.933 -6.461 8.154 446 HA SER 55 HA SER 55 -13.687 -7.611 7.270 447 HG SER 55 HG SER 55 -16.436 -7.104 7.239 448 HB2 SER 55 HB2 SER 55 -15.096 -5.665 8.025 449 HB3 SER 55 HB1 SER 55 -14.887 -4.971 6.418 450 H GLY 56 HN GLY 56 -11.338 -6.213 5.678 451 HA2 GLY 56 HA2 GLY 56 -10.561 -7.044 3.596 452 HA3 GLY 56 HA1 GLY 56 -12.224 -7.349 3.128 453 H PHE 57 HN PHE 57 -11.667 -4.287 4.547 454 HA PHE 57 HA PHE 57 -11.022 -2.947 2.073 455 HD1 PHE 57 HD2 PHE 57 -14.560 -4.656 3.314 456 HD2 PHE 57 HD1 PHE 57 -13.044 -2.806 -0.205 457 HE1 PHE 57 HE2 PHE 57 -15.617 -6.405 1.945 458 HE2 PHE 57 HE1 PHE 57 -14.099 -4.551 -1.582 459 HZ PHE 57 HZ PHE 57 -15.388 -6.354 -0.508 460 HB2 PHE 57 HB2 PHE 57 -13.703 -2.394 3.361 461 HB3 PHE 57 HB1 PHE 57 -13.053 -1.637 1.906 462 H ILE 58 HN ILE 58 -10.030 -1.042 2.437 463 HA ILE 58 HA ILE 58 -9.893 -0.138 5.236 464 HB ILE 58 HB ILE 58 -7.994 0.825 3.135 465 HG12 ILE 58 HG12 ILE 58 -7.623 -1.756 4.670 466 HG13 ILE 58 HG11 ILE 58 -8.101 -1.680 2.976 467 HG21 ILE 58 HG21 ILE 58 -6.470 0.857 5.106 468 HG22 ILE 58 HG22 ILE 58 -7.829 0.334 6.102 469 HG23 ILE 58 HG23 ILE 58 -7.888 1.890 5.276 470 HD11 ILE 58 HD11 ILE 58 -5.984 -0.422 2.536 471 HD12 ILE 58 HD12 ILE 58 -5.775 -2.098 3.043 472 HD13 ILE 58 HD13 ILE 58 -5.506 -0.789 4.194 473 H GLU 59 HN GLU 59 -10.363 1.873 5.810 474 HA GLU 59 HA GLU 59 -11.641 3.552 3.780 475 HB2 GLU 59 HB2 GLU 59 -12.170 2.864 6.579 476 HB3 GLU 59 HB1 GLU 59 -12.411 4.568 6.190 477 HG2 GLU 59 HG2 GLU 59 -13.598 2.460 4.439 478 HG3 GLU 59 HG1 GLU 59 -14.380 2.875 5.969 479 H GLU 60 HN GLU 60 -10.843 5.427 3.284 480 HA GLU 60 HA GLU 60 -8.395 6.391 3.618 481 HB2 GLU 60 HB2 GLU 60 -9.316 8.689 3.286 482 HB3 GLU 60 HB1 GLU 60 -9.926 7.487 2.152 483 HG2 GLU 60 HG2 GLU 60 -11.963 8.135 2.709 484 HG3 GLU 60 HG1 GLU 60 -11.669 7.365 4.272 485 H ASP 61 HN ASP 61 -10.922 6.698 6.031 486 HA ASP 61 HA ASP 61 -9.592 8.595 7.653 487 HB2 ASP 61 HB2 ASP 61 -11.667 6.514 8.383 488 HB3 ASP 61 HB1 ASP 61 -11.147 7.818 9.443 489 H GLU 62 HN GLU 62 -9.836 5.057 7.840 490 HA GLU 62 HA GLU 62 -7.795 4.948 9.896 491 HB2 GLU 62 HB2 GLU 62 -9.272 2.753 8.430 492 HB3 GLU 62 HB1 GLU 62 -8.146 2.490 9.754 493 HG2 GLU 62 HG2 GLU 62 -10.747 3.997 9.903 494 HG3 GLU 62 HG1 GLU 62 -10.433 2.380 10.535 495 H LEU 63 HN LEU 63 -7.985 4.831 6.474 496 HA LEU 63 HA LEU 63 -5.901 3.199 5.724 497 HG LEU 63 HG LEU 63 -5.816 4.848 2.405 498 HB2 LEU 63 HB2 LEU 63 -7.575 4.697 4.360 499 HB3 LEU 63 HB1 LEU 63 -6.256 5.852 4.407 500 HD11 LEU 63 HD11 LEU 63 -3.976 3.342 2.578 501 HD12 LEU 63 HD12 LEU 63 -4.473 2.833 4.191 502 HD13 LEU 63 HD13 LEU 63 -3.880 4.470 3.927 503 HD21 LEU 63 HD21 LEU 63 -6.443 2.700 1.724 504 HD22 LEU 63 HD22 LEU 63 -7.761 3.246 2.762 505 HD23 LEU 63 HD23 LEU 63 -6.559 2.116 3.383 506 H GLY 64 HN GLY 64 -5.760 6.642 6.468 507 HA2 GLY 64 HA2 GLY 64 -2.976 6.926 6.194 508 HA3 GLY 64 HA1 GLY 64 -4.023 7.999 7.123 509 H SER 65 HN SER 65 -4.865 5.537 8.703 510 HA SER 65 HA SER 65 -2.810 5.786 10.718 511 HG SER 65 HG SER 65 -5.673 6.020 12.369 512 HB2 SER 65 HB2 SER 65 -5.350 4.130 10.703 513 HB3 SER 65 HB1 SER 65 -4.315 4.415 12.103 514 H ILE 66 HN ILE 66 -4.416 3.045 9.134 515 HA ILE 66 HA ILE 66 -2.659 1.060 9.933 516 HB ILE 66 HB ILE 66 -4.822 0.620 8.863 517 HG12 ILE 66 HG12 ILE 66 -4.156 -1.335 7.650 518 HG13 ILE 66 HG11 ILE 66 -2.578 -0.629 7.332 519 HG21 ILE 66 HG21 ILE 66 -3.442 1.421 6.312 520 HG22 ILE 66 HG22 ILE 66 -4.725 2.323 7.119 521 HG23 ILE 66 HG23 ILE 66 -5.060 0.730 6.441 522 HD11 ILE 66 HD11 ILE 66 -3.617 -1.373 10.050 523 HD12 ILE 66 HD12 ILE 66 -2.007 -0.757 9.674 524 HD13 ILE 66 HD13 ILE 66 -2.507 -2.340 9.080 525 H LEU 67 HN LEU 67 -2.183 3.568 7.646 526 HA LEU 67 HA LEU 67 -0.442 2.701 5.770 527 HG LEU 67 HG LEU 67 -0.889 6.206 5.139 528 HB2 LEU 67 HB2 LEU 67 -1.060 5.133 7.146 529 HB3 LEU 67 HB1 LEU 67 0.669 5.057 6.913 530 HD11 LEU 67 HD11 LEU 67 1.383 4.381 4.383 531 HD12 LEU 67 HD12 LEU 67 1.530 6.033 4.977 532 HD13 LEU 67 HD13 LEU 67 0.775 5.722 3.414 533 HD21 LEU 67 HD21 LEU 67 -2.236 4.084 4.854 534 HD22 LEU 67 HD22 LEU 67 -0.846 3.427 4.008 535 HD23 LEU 67 HD23 LEU 67 -1.668 4.853 3.379 536 H LYS 68 HN LYS 68 0.476 3.567 9.112 537 HA LYS 68 HA LYS 68 3.191 3.247 8.818 538 HB2 LYS 68 HB2 LYS 68 3.132 2.604 11.295 539 HB3 LYS 68 HB1 LYS 68 2.531 4.180 10.801 540 HG2 LYS 68 HG2 LYS 68 1.126 3.082 12.492 541 HG3 LYS 68 HG1 LYS 68 0.291 3.484 10.991 542 HD2 LYS 68 HD2 LYS 68 0.116 1.270 10.343 543 HD3 LYS 68 HD1 LYS 68 1.483 0.766 11.338 544 HE2 LYS 68 HE2 LYS 68 -0.716 -0.012 12.191 545 HE3 LYS 68 HE1 LYS 68 0.177 0.985 13.339 546 HZ1 LYS 68 HZ1 LYS 68 -1.185 2.877 12.699 547 HZ2 LYS 68 HZ2 LYS 68 -2.151 1.608 13.263 548 HZ3 LYS 68 HZ3 LYS 68 -2.046 1.916 11.604 549 H GLY 69 HN GLY 69 0.828 0.725 8.640 550 HA2 GLY 69 HA2 GLY 69 2.135 -1.508 9.551 551 HA3 GLY 69 HA1 GLY 69 1.191 -1.501 8.061 552 H PHE 70 HN PHE 70 2.592 0.041 6.391 553 HA PHE 70 HA PHE 70 5.085 -1.426 6.028 554 HD1 PHE 70 HD2 PHE 70 5.714 1.548 3.543 555 HD2 PHE 70 HD1 PHE 70 1.623 0.408 3.826 556 HE1 PHE 70 HE2 PHE 70 5.056 3.713 2.596 557 HE2 PHE 70 HE1 PHE 70 0.956 2.586 2.850 558 HZ PHE 70 HZ PHE 70 2.676 4.232 2.249 559 HB2 PHE 70 HB2 PHE 70 5.000 -0.828 3.745 560 HB3 PHE 70 HB1 PHE 70 3.350 -1.212 4.155 561 H SER 71 HN SER 71 3.783 1.816 5.971 562 HA SER 71 HA SER 71 6.193 3.238 5.755 563 HG SER 71 HG SER 71 2.410 4.346 6.250 564 HB2 SER 71 HB2 SER 71 4.807 5.214 6.259 565 HB3 SER 71 HB1 SER 71 4.111 4.191 5.005 566 H SER 72 HN SER 72 5.358 1.479 8.410 567 HA SER 72 HA SER 72 5.445 3.076 10.613 568 HG SER 72 HG SER 72 7.751 -0.085 10.306 569 HB2 SER 72 HB2 SER 72 6.850 1.200 11.685 570 HB3 SER 72 HB1 SER 72 5.281 0.758 11.021 571 H ASP 73 HN ASP 73 8.046 2.575 8.342 572 HA ASP 73 HA ASP 73 9.951 3.904 10.100 573 HB2 ASP 73 HB2 ASP 73 10.850 2.030 8.970 574 HB3 ASP 73 HB1 ASP 73 10.252 2.581 7.410 575 H ALA 74 HN ALA 74 7.928 4.525 7.360 576 HA ALA 74 HA ALA 74 9.143 7.181 6.990 577 HB1 ALA 74 HB1 ALA 74 8.078 7.219 4.800 578 HB2 ALA 74 HB2 ALA 74 7.317 5.661 5.127 579 HB3 ALA 74 HB3 ALA 74 9.069 5.774 4.985 580 H ARG 75 HN ARG 75 7.027 8.499 5.781 581 HA ARG 75 HA ARG 75 5.372 9.070 8.082 582 HE ARG 75 HE ARG 75 8.321 13.033 7.454 583 HB2 ARG 75 HB2 ARG 75 5.489 10.351 5.350 584 HB3 ARG 75 HB1 ARG 75 4.510 10.934 6.689 585 HG2 ARG 75 HG2 ARG 75 6.508 11.362 7.997 586 HG3 ARG 75 HG1 ARG 75 7.513 10.720 6.695 587 HD2 ARG 75 HD2 ARG 75 6.730 12.491 5.209 588 HD3 ARG 75 HD1 ARG 75 5.702 13.125 6.498 589 HH11 ARG 75 HH11 ARG 75 6.461 14.705 5.029 590 HH12 ARG 75 HH12 ARG 75 7.443 16.131 5.075 591 HH21 ARG 75 HH21 ARG 75 9.617 14.906 7.525 592 HH22 ARG 75 HH22 ARG 75 9.237 16.246 6.496 593 H ASP 76 HN ASP 76 2.988 9.774 7.361 594 HA ASP 76 HA ASP 76 1.747 7.291 6.456 595 HB2 ASP 76 HB2 ASP 76 0.403 9.737 7.615 596 HB3 ASP 76 HB1 ASP 76 -0.272 8.119 7.465 597 H LEU 77 HN LEU 77 -0.663 8.096 5.503 598 HA LEU 77 HA LEU 77 0.062 9.235 2.914 599 HG LEU 77 HG LEU 77 -3.313 8.903 4.176 600 HB2 LEU 77 HB2 LEU 77 -1.567 7.964 2.013 601 HB3 LEU 77 HB1 LEU 77 -1.386 7.053 3.496 602 HD11 LEU 77 HD11 LEU 77 -4.963 8.742 2.347 603 HD12 LEU 77 HD12 LEU 77 -3.709 8.040 1.325 604 HD13 LEU 77 HD13 LEU 77 -3.541 9.694 1.918 605 HD21 LEU 77 HD21 LEU 77 -4.664 7.076 4.444 606 HD22 LEU 77 HD22 LEU 77 -3.081 6.303 4.370 607 HD23 LEU 77 HD23 LEU 77 -4.120 6.320 2.949 608 H SER 78 HN SER 78 -0.697 11.131 2.137 609 HA SER 78 HA SER 78 -2.281 12.769 3.995 610 HG SER 78 HG SER 78 0.569 13.382 1.440 611 HB2 SER 78 HB2 SER 78 -1.355 14.715 2.809 612 HB3 SER 78 HB1 SER 78 -0.066 13.675 3.415 613 H ALA 79 HN ALA 79 -3.350 14.667 2.494 614 HA ALA 79 HA ALA 79 -5.654 13.644 1.422 615 HB1 ALA 79 HB1 ALA 79 -6.009 15.789 0.382 616 HB2 ALA 79 HB2 ALA 79 -4.282 16.149 0.461 617 HB3 ALA 79 HB3 ALA 79 -5.230 16.034 1.948 618 H LYS 80 HN LYS 80 -2.751 14.612 -0.358 619 HA LYS 80 HA LYS 80 -3.522 14.045 -2.931 620 HB2 LYS 80 HB2 LYS 80 -0.799 13.579 -1.703 621 HB3 LYS 80 HB1 LYS 80 -1.129 13.702 -3.425 622 HG2 LYS 80 HG2 LYS 80 -1.769 15.995 -3.210 623 HG3 LYS 80 HG1 LYS 80 -1.689 15.900 -1.449 624 HD2 LYS 80 HD2 LYS 80 0.341 16.863 -1.885 625 HD3 LYS 80 HD1 LYS 80 0.795 15.160 -1.947 626 HE2 LYS 80 HE2 LYS 80 0.119 16.905 -4.313 627 HE3 LYS 80 HE1 LYS 80 1.738 16.406 -3.827 628 HZ1 LYS 80 HZ1 LYS 80 1.118 14.947 -5.525 629 HZ2 LYS 80 HZ2 LYS 80 -0.443 14.730 -4.914 630 HZ3 LYS 80 HZ3 LYS 80 0.882 14.056 -4.107 631 H GLU 81 HN GLU 81 -1.951 11.753 -0.679 632 HA GLU 81 HA GLU 81 -2.138 9.570 -2.461 633 HB2 GLU 81 HB2 GLU 81 -1.849 9.290 0.487 634 HB3 GLU 81 HB1 GLU 81 -1.242 8.252 -0.770 635 HG2 GLU 81 HG2 GLU 81 -0.248 11.027 -0.190 636 HG3 GLU 81 HG1 GLU 81 0.530 9.532 0.322 637 H THR 82 HN THR 82 -4.262 10.784 0.100 638 HA THR 82 HA THR 82 -5.829 8.489 0.409 639 HB THR 82 HB THR 82 -6.901 11.322 0.347 640 HG1 THR 82 HG1 THR 82 -6.441 11.315 2.588 641 HG21 THR 82 HG21 THR 82 -8.481 9.297 0.342 642 HG22 THR 82 HG22 THR 82 -8.729 10.523 1.587 643 HG23 THR 82 HG23 THR 82 -7.909 9.013 1.985 644 H LYS 83 HN LYS 83 -6.135 11.182 -1.842 645 HA LYS 83 HA LYS 83 -8.155 9.912 -3.418 646 HB2 LYS 83 HB2 LYS 83 -6.454 12.365 -3.878 647 HB3 LYS 83 HB1 LYS 83 -7.700 11.823 -4.995 648 HG2 LYS 83 HG2 LYS 83 -8.473 12.218 -2.160 649 HG3 LYS 83 HG1 LYS 83 -8.160 13.650 -3.140 650 HD2 LYS 83 HD2 LYS 83 -10.532 13.012 -3.173 651 HD3 LYS 83 HD1 LYS 83 -9.802 12.920 -4.776 652 HE2 LYS 83 HE2 LYS 83 -9.582 10.516 -4.570 653 HE3 LYS 83 HE1 LYS 83 -10.210 10.574 -2.924 654 HZ1 LYS 83 HZ1 LYS 83 -12.317 11.353 -3.779 655 HZ2 LYS 83 HZ2 LYS 83 -11.896 9.900 -4.535 656 HZ3 LYS 83 HZ3 LYS 83 -11.715 11.365 -5.359 657 H THR 84 HN THR 84 -4.656 10.393 -3.682 658 HA THR 84 HA THR 84 -4.494 9.397 -6.340 659 HB THR 84 HB THR 84 -2.300 9.908 -4.353 660 HG1 THR 84 HG1 THR 84 -3.508 11.474 -6.389 661 HG21 THR 84 HG21 THR 84 -1.561 8.362 -6.084 662 HG22 THR 84 HG22 THR 84 -0.822 9.945 -6.326 663 HG23 THR 84 HG23 THR 84 -2.179 9.440 -7.334 664 H LEU 85 HN LEU 85 -3.360 8.131 -3.246 665 HA LEU 85 HA LEU 85 -2.559 5.657 -4.420 666 HG LEU 85 HG LEU 85 -0.238 5.844 -1.692 667 HB2 LEU 85 HB2 LEU 85 -2.452 6.851 -1.744 668 HB3 LEU 85 HB1 LEU 85 -2.584 5.098 -1.797 669 HD11 LEU 85 HD11 LEU 85 0.596 4.457 -3.496 670 HD12 LEU 85 HD12 LEU 85 -0.953 4.564 -4.325 671 HD13 LEU 85 HD13 LEU 85 -0.837 3.720 -2.781 672 HD21 LEU 85 HD21 LEU 85 0.661 6.822 -3.880 673 HD22 LEU 85 HD22 LEU 85 -0.208 7.906 -2.795 674 HD23 LEU 85 HD23 LEU 85 -1.013 7.257 -4.222 675 H MET 86 HN MET 86 -5.353 6.593 -2.415 676 HA MET 86 HA MET 86 -6.332 3.909 -2.355 677 HB2 MET 86 HB2 MET 86 -8.091 6.309 -1.926 678 HB3 MET 86 HB1 MET 86 -8.231 4.701 -1.243 679 HG2 MET 86 HG2 MET 86 -6.112 5.111 0.002 680 HG3 MET 86 HG1 MET 86 -6.182 6.783 -0.545 681 HE1 MET 86 HE1 MET 86 -9.560 4.870 0.233 682 HE2 MET 86 HE2 MET 86 -9.491 4.840 1.994 683 HE3 MET 86 HE3 MET 86 -8.286 3.969 1.049 684 H ALA 87 HN ALA 87 -7.340 6.799 -4.243 685 HA ALA 87 HA ALA 87 -9.367 5.439 -5.663 686 HB1 ALA 87 HB1 ALA 87 -7.867 7.738 -6.848 687 HB2 ALA 87 HB2 ALA 87 -8.921 7.970 -5.450 688 HB3 ALA 87 HB3 ALA 87 -9.584 7.340 -6.961 689 H ALA 88 HN ALA 88 -5.905 5.669 -6.138 690 HA ALA 88 HA ALA 88 -5.879 4.702 -8.812 691 HB1 ALA 88 HB1 ALA 88 -3.474 4.279 -8.391 692 HB2 ALA 88 HB2 ALA 88 -3.729 4.699 -6.696 693 HB3 ALA 88 HB3 ALA 88 -3.980 5.911 -7.954 694 H GLY 89 HN GLY 89 -5.024 3.083 -5.739 695 HA2 GLY 89 HA2 GLY 89 -4.731 0.511 -6.764 696 HA3 GLY 89 HA1 GLY 89 -5.172 0.881 -5.104 697 H ASP 90 HN ASP 90 -7.623 2.214 -5.738 698 HA ASP 90 HA ASP 90 -9.269 -0.129 -6.285 699 HB2 ASP 90 HB2 ASP 90 -11.110 1.071 -5.257 700 HB3 ASP 90 HB1 ASP 90 -9.710 1.132 -4.196 701 H LYS 91 HN LYS 91 -8.001 0.953 -8.450 702 HA LYS 91 HA LYS 91 -8.812 2.793 -10.116 703 HB2 LYS 91 HB2 LYS 91 -7.368 0.789 -10.568 704 HB3 LYS 91 HB1 LYS 91 -8.835 -0.095 -10.952 705 HG2 LYS 91 HG2 LYS 91 -7.961 2.389 -12.346 706 HG3 LYS 91 HG1 LYS 91 -7.586 0.771 -12.912 707 HD2 LYS 91 HD2 LYS 91 -10.287 0.654 -12.513 708 HD3 LYS 91 HD1 LYS 91 -10.069 2.306 -13.088 709 HE2 LYS 91 HE2 LYS 91 -9.194 -0.233 -14.456 710 HE3 LYS 91 HE1 LYS 91 -10.466 0.872 -14.977 711 HZ1 LYS 91 HZ1 LYS 91 -8.453 1.222 -16.244 712 HZ2 LYS 91 HZ2 LYS 91 -7.567 1.501 -14.830 713 HZ3 LYS 91 HZ3 LYS 91 -8.777 2.586 -15.295 714 H ASP 92 HN ASP 92 -10.898 0.055 -9.328 715 HA ASP 92 HA ASP 92 -12.883 0.454 -11.238 716 HB2 ASP 92 HB2 ASP 92 -12.783 -1.524 -9.772 717 HB3 ASP 92 HB1 ASP 92 -13.251 -0.525 -8.399 718 H GLY 93 HN GLY 93 -12.070 2.407 -8.543 719 HA2 GLY 93 HA2 GLY 93 -12.820 4.543 -8.068 720 HA3 GLY 93 HA1 GLY 93 -14.133 4.309 -9.216 721 H ASP 94 HN ASP 94 -13.081 2.867 -6.111 722 HA ASP 94 HA ASP 94 -15.893 3.020 -5.248 723 HB2 ASP 94 HB2 ASP 94 -13.746 1.127 -4.274 724 HB3 ASP 94 HB1 ASP 94 -15.430 1.136 -3.763 725 H GLY 95 HN GLY 95 -12.835 4.354 -4.711 726 HA2 GLY 95 HA2 GLY 95 -12.402 6.117 -3.219 727 HA3 GLY 95 HA1 GLY 95 -13.813 5.642 -2.291 728 H LYS 96 HN LYS 96 -12.845 2.824 -2.271 729 HA LYS 96 HA LYS 96 -10.662 3.078 -0.325 730 HB2 LYS 96 HB2 LYS 96 -13.089 1.276 -0.114 731 HB3 LYS 96 HB1 LYS 96 -11.734 1.279 0.999 732 HG2 LYS 96 HG2 LYS 96 -12.930 2.707 2.210 733 HG3 LYS 96 HG1 LYS 96 -12.504 3.912 0.993 734 HD2 LYS 96 HD2 LYS 96 -14.689 2.466 -0.038 735 HD3 LYS 96 HD1 LYS 96 -15.075 2.821 1.645 736 HE2 LYS 96 HE2 LYS 96 -14.505 5.202 1.217 737 HE3 LYS 96 HE1 LYS 96 -14.281 4.801 -0.486 738 HZ1 LYS 96 HZ1 LYS 96 -16.599 4.070 -0.561 739 HZ2 LYS 96 HZ2 LYS 96 -16.473 5.697 -0.119 740 HZ3 LYS 96 HZ3 LYS 96 -16.804 4.527 1.056 741 H ILE 97 HN ILE 97 -9.350 1.124 -0.080 742 HA ILE 97 HA ILE 97 -9.283 -0.406 -2.592 743 HB ILE 97 HB ILE 97 -7.068 0.055 -0.589 744 HG12 ILE 97 HG12 ILE 97 -7.578 1.184 -3.347 745 HG13 ILE 97 HG11 ILE 97 -7.537 2.076 -1.829 746 HG21 ILE 97 HG21 ILE 97 -5.611 -1.019 -2.233 747 HG22 ILE 97 HG22 ILE 97 -7.006 -1.349 -3.258 748 HG23 ILE 97 HG23 ILE 97 -6.871 -2.121 -1.677 749 HD11 ILE 97 HD11 ILE 97 -5.509 2.314 -3.259 750 HD12 ILE 97 HD12 ILE 97 -5.169 0.609 -2.957 751 HD13 ILE 97 HD13 ILE 97 -5.195 1.756 -1.616 752 H GLY 98 HN GLY 98 -10.216 -2.319 -2.438 753 HA2 GLY 98 HA2 GLY 98 -10.126 -3.808 0.081 754 HA3 GLY 98 HA1 GLY 98 -11.148 -4.171 -1.304 755 H VAL 99 HN VAL 99 -9.822 -6.219 -0.128 756 HA VAL 99 HA VAL 99 -7.268 -6.854 -0.874 757 HB VAL 99 HB VAL 99 -8.741 -8.293 0.522 758 HG11 VAL 99 HG11 VAL 99 -10.323 -9.765 -0.402 759 HG12 VAL 99 HG12 VAL 99 -9.784 -9.437 -2.048 760 HG13 VAL 99 HG13 VAL 99 -10.657 -8.198 -1.144 761 HG21 VAL 99 HG21 VAL 99 -7.791 -10.422 -0.239 762 HG22 VAL 99 HG22 VAL 99 -6.602 -9.121 -0.275 763 HG23 VAL 99 HG23 VAL 99 -7.355 -9.669 -1.772 764 H GLU 100 HN GLU 100 -10.136 -6.917 -2.909 765 HA GLU 100 HA GLU 100 -8.887 -8.280 -5.088 766 HB2 GLU 100 HB2 GLU 100 -11.098 -6.529 -5.830 767 HB3 GLU 100 HB1 GLU 100 -10.905 -8.252 -6.094 768 HG2 GLU 100 HG2 GLU 100 -11.853 -6.910 -3.597 769 HG3 GLU 100 HG1 GLU 100 -12.860 -7.769 -4.759 770 H GLU 101 HN GLU 101 -9.906 -4.948 -4.549 771 HA GLU 101 HA GLU 101 -8.806 -3.819 -6.850 772 HB2 GLU 101 HB2 GLU 101 -9.551 -2.756 -4.160 773 HB3 GLU 101 HB1 GLU 101 -8.814 -1.710 -5.354 774 HG2 GLU 101 HG2 GLU 101 -11.296 -1.634 -5.294 775 HG3 GLU 101 HG1 GLU 101 -10.616 -2.036 -6.871 776 H PHE 102 HN PHE 102 -7.316 -4.551 -3.751 777 HA PHE 102 HA PHE 102 -5.061 -2.959 -3.872 778 HD1 PHE 102 HD2 PHE 102 -4.767 -2.757 -0.926 779 HD2 PHE 102 HD1 PHE 102 -2.506 -5.700 -2.973 780 HE1 PHE 102 HE2 PHE 102 -2.731 -1.973 0.217 781 HE2 PHE 102 HE1 PHE 102 -0.454 -4.932 -1.842 782 HZ PHE 102 HZ PHE 102 -0.570 -3.061 -0.241 783 HB2 PHE 102 HB2 PHE 102 -5.819 -4.661 -2.056 784 HB3 PHE 102 HB1 PHE 102 -4.853 -5.813 -2.961 785 H SER 103 HN SER 103 -5.912 -5.719 -5.775 786 HA SER 103 HA SER 103 -3.311 -6.341 -6.739 787 HG SER 103 HG SER 103 -6.821 -7.591 -8.378 788 HB2 SER 103 HB2 SER 103 -4.456 -7.690 -8.411 789 HB3 SER 103 HB1 SER 103 -5.233 -7.920 -6.844 790 H THR 104 HN THR 104 -5.990 -4.369 -8.001 791 HA THR 104 HA THR 104 -4.811 -3.661 -10.432 792 HB THR 104 HB THR 104 -6.688 -1.965 -8.750 793 HG1 THR 104 HG1 THR 104 -8.294 -3.026 -9.796 794 HG21 THR 104 HG21 THR 104 -7.242 -1.179 -11.210 795 HG22 THR 104 HG22 THR 104 -5.592 -1.715 -11.523 796 HG23 THR 104 HG23 THR 104 -5.898 -0.465 -10.320 797 H LEU 105 HN LEU 105 -4.485 -2.279 -7.209 798 HA LEU 105 HA LEU 105 -3.118 0.055 -7.792 799 HG LEU 105 HG LEU 105 -3.119 1.249 -5.458 800 HB2 LEU 105 HB2 LEU 105 -3.903 -0.991 -5.536 801 HB3 LEU 105 HB1 LEU 105 -2.277 -1.638 -5.477 802 HD11 LEU 105 HD11 LEU 105 -1.594 1.171 -3.414 803 HD12 LEU 105 HD12 LEU 105 -1.734 -0.583 -3.538 804 HD13 LEU 105 HD13 LEU 105 -3.175 0.402 -3.290 805 HD21 LEU 105 HD21 LEU 105 -0.665 1.739 -5.407 806 HD22 LEU 105 HD22 LEU 105 -1.294 1.193 -6.961 807 HD23 LEU 105 HD23 LEU 105 -0.392 0.078 -5.934 808 H VAL 106 HN VAL 106 -1.940 -3.254 -7.639 809 HA VAL 106 HA VAL 106 0.813 -2.737 -7.756 810 HB VAL 106 HB VAL 106 -0.643 -5.096 -8.963 811 HG11 VAL 106 HG11 VAL 106 1.651 -4.942 -9.721 812 HG12 VAL 106 HG12 VAL 106 1.485 -6.277 -8.582 813 HG13 VAL 106 HG13 VAL 106 2.215 -4.760 -8.061 814 HG21 VAL 106 HG21 VAL 106 -1.248 -4.781 -6.617 815 HG22 VAL 106 HG22 VAL 106 0.459 -4.742 -6.176 816 HG23 VAL 106 HG23 VAL 106 -0.249 -6.218 -6.831 817 H ALA 107 HN ALA 107 -1.605 -3.132 -10.304 818 HA ALA 107 HA ALA 107 0.309 -2.819 -12.428 819 HB1 ALA 107 HB1 ALA 107 -2.707 -2.738 -12.503 820 HB2 ALA 107 HB2 ALA 107 -1.706 -4.170 -12.739 821 HB3 ALA 107 HB3 ALA 107 -1.639 -2.848 -13.903 822 H GLU 108 HN GLU 108 -1.727 -0.762 -10.524 823 HA GLU 108 HA GLU 108 -1.968 1.466 -12.169 824 HB2 GLU 108 HB2 GLU 108 -1.760 1.204 -9.177 825 HB3 GLU 108 HB1 GLU 108 -2.060 2.745 -9.975 826 HG2 GLU 108 HG2 GLU 108 -3.785 0.421 -10.630 827 HG3 GLU 108 HG1 GLU 108 -4.048 1.288 -9.116 828 H SER 109 HN SER 109 0.294 1.217 -9.443 829 HA SER 109 HA SER 109 1.926 3.337 -10.072 830 HG SER 109 HG SER 109 4.455 1.953 -7.980 831 HB2 SER 109 HB2 SER 109 2.297 2.352 -7.969 832 HB3 SER 109 HB1 SER 109 2.488 0.740 -8.657 Start of MODEL 4 1 HA SER 1 HA SER 1 5.537 -8.752 8.670 2 HG SER 1 HG SER 1 6.286 -5.819 10.565 3 H1 SER 1 HT1 SER 1 7.489 -8.906 10.066 4 H2 SER 1 HT2 SER 1 8.484 -8.468 8.770 5 H3 SER 1 HT3 SER 1 7.628 -9.927 8.723 6 HB2 SER 1 HB2 SER 1 7.290 -6.282 8.615 7 HB3 SER 1 HB1 SER 1 5.542 -6.294 8.384 8 H MET 2 HN MET 2 5.370 -9.871 6.775 9 HA MET 2 HA MET 2 5.445 -10.315 4.544 10 HB2 MET 2 HB2 MET 2 4.345 -7.959 4.745 11 HB3 MET 2 HB1 MET 2 5.855 -7.386 4.053 12 HG2 MET 2 HG2 MET 2 4.070 -7.724 2.384 13 HG3 MET 2 HG1 MET 2 5.517 -8.682 2.072 14 HE1 MET 2 HE1 MET 2 2.664 -8.909 4.510 15 HE2 MET 2 HE2 MET 2 3.433 -10.410 5.018 16 HE3 MET 2 HE3 MET 2 1.874 -10.451 4.194 17 H THR 3 HN THR 3 7.671 -11.173 5.234 18 HA THR 3 HA THR 3 9.802 -9.739 3.791 19 HB THR 3 HB THR 3 10.019 -11.788 6.008 20 HG1 THR 3 HG1 THR 3 9.900 -10.039 7.185 21 HG21 THR 3 HG21 THR 3 12.166 -10.365 4.434 22 HG22 THR 3 HG22 THR 3 11.875 -12.102 4.511 23 HG23 THR 3 HG23 THR 3 12.452 -11.240 5.937 24 H ASP 4 HN ASP 4 8.410 -12.947 4.365 25 HA ASP 4 HA ASP 4 10.058 -14.297 2.491 26 HB2 ASP 4 HB2 ASP 4 7.369 -15.060 3.645 27 HB3 ASP 4 HB1 ASP 4 8.409 -16.138 2.717 28 H LEU 5 HN LEU 5 7.344 -12.249 2.114 29 HA LEU 5 HA LEU 5 6.865 -13.288 -0.592 30 HG LEU 5 HG LEU 5 5.403 -14.070 1.657 31 HB2 LEU 5 HB2 LEU 5 5.113 -11.463 1.048 32 HB3 LEU 5 HB1 LEU 5 4.716 -12.166 -0.504 33 HD11 LEU 5 HD11 LEU 5 2.902 -12.405 1.657 34 HD12 LEU 5 HD12 LEU 5 4.068 -12.613 2.964 35 HD13 LEU 5 HD13 LEU 5 3.035 -13.958 2.480 36 HD21 LEU 5 HD21 LEU 5 4.809 -14.929 -0.490 37 HD22 LEU 5 HD22 LEU 5 3.355 -13.936 -0.541 38 HD23 LEU 5 HD23 LEU 5 3.475 -15.262 0.613 39 H LEU 6 HN LEU 6 6.529 -10.054 0.922 40 HA LEU 6 HA LEU 6 7.506 -8.825 -1.517 41 HG LEU 6 HG LEU 6 4.766 -8.554 0.285 42 HB2 LEU 6 HB2 LEU 6 6.784 -7.509 1.106 43 HB3 LEU 6 HB1 LEU 6 7.030 -6.704 -0.430 44 HD11 LEU 6 HD11 LEU 6 4.618 -6.283 1.210 45 HD12 LEU 6 HD12 LEU 6 3.378 -6.593 -0.007 46 HD13 LEU 6 HD13 LEU 6 4.795 -5.626 -0.418 47 HD21 LEU 6 HD21 LEU 6 5.586 -8.810 -2.062 48 HD22 LEU 6 HD22 LEU 6 5.211 -7.104 -2.307 49 HD23 LEU 6 HD23 LEU 6 3.922 -8.243 -1.921 50 H SER 7 HN SER 7 9.472 -7.787 -1.762 51 HA SER 7 HA SER 7 11.669 -8.690 -0.352 52 HG SER 7 HG SER 7 10.474 -6.306 -2.817 53 HB2 SER 7 HB2 SER 7 12.810 -6.583 -1.286 54 HB3 SER 7 HB1 SER 7 12.096 -7.697 -2.452 55 H ALA 8 HN ALA 8 12.001 -8.478 1.773 56 HA ALA 8 HA ALA 8 10.773 -6.531 3.393 57 HB1 ALA 8 HB1 ALA 8 11.360 -8.609 4.365 58 HB2 ALA 8 HB2 ALA 8 12.338 -7.375 5.160 59 HB3 ALA 8 HB3 ALA 8 13.057 -8.411 3.926 60 H GLU 9 HN GLU 9 14.098 -6.762 2.154 61 HA GLU 9 HA GLU 9 15.021 -4.455 3.519 62 HB2 GLU 9 HB2 GLU 9 16.959 -4.573 2.075 63 HB3 GLU 9 HB1 GLU 9 16.522 -6.199 2.583 64 HG2 GLU 9 HG2 GLU 9 15.434 -6.583 0.434 65 HG3 GLU 9 HG1 GLU 9 15.862 -4.948 -0.074 66 H ASP 10 HN ASP 10 13.683 -5.014 0.312 67 HA ASP 10 HA ASP 10 14.078 -2.517 -0.838 68 HB2 ASP 10 HB2 ASP 10 13.066 -4.734 -1.781 69 HB3 ASP 10 HB1 ASP 10 11.536 -4.030 -1.253 70 H ILE 11 HN ILE 11 11.239 -3.703 0.932 71 HA ILE 11 HA ILE 11 9.717 -1.362 0.904 72 HB ILE 11 HB ILE 11 9.891 -3.505 3.014 73 HG12 ILE 11 HG12 ILE 11 7.632 -3.412 1.093 74 HG13 ILE 11 HG11 ILE 11 9.194 -3.944 0.476 75 HG21 ILE 11 HG21 ILE 11 7.726 -2.805 3.793 76 HG22 ILE 11 HG22 ILE 11 7.615 -1.588 2.521 77 HG23 ILE 11 HG23 ILE 11 8.810 -1.415 3.808 78 HD11 ILE 11 HD11 ILE 11 7.906 -5.842 1.156 79 HD12 ILE 11 HD12 ILE 11 7.647 -5.144 2.753 80 HD13 ILE 11 HD13 ILE 11 9.264 -5.645 2.263 81 H LYS 12 HN LYS 12 11.931 -2.536 3.458 82 HA LYS 12 HA LYS 12 11.713 -0.261 5.083 83 HB2 LYS 12 HB2 LYS 12 12.713 -2.458 5.759 84 HB3 LYS 12 HB1 LYS 12 14.136 -2.047 4.812 85 HG2 LYS 12 HG2 LYS 12 14.513 -0.089 6.221 86 HG3 LYS 12 HG1 LYS 12 13.086 -0.501 7.170 87 HD2 LYS 12 HD2 LYS 12 15.066 -1.265 8.323 88 HD3 LYS 12 HD1 LYS 12 14.146 -2.659 7.756 89 HE2 LYS 12 HE2 LYS 12 15.643 -2.880 5.844 90 HE3 LYS 12 HE1 LYS 12 16.549 -1.464 6.376 91 HZ1 LYS 12 HZ1 LYS 12 16.294 -4.030 7.850 92 HZ2 LYS 12 HZ2 LYS 12 17.125 -2.667 8.408 93 HZ3 LYS 12 HZ3 LYS 12 17.670 -3.482 7.030 94 H LYS 13 HN LYS 13 14.024 -1.074 2.514 95 HA LYS 13 HA LYS 13 15.641 1.221 2.747 96 HB2 LYS 13 HB2 LYS 13 15.048 -0.576 0.397 97 HB3 LYS 13 HB1 LYS 13 16.256 0.696 0.362 98 HG2 LYS 13 HG2 LYS 13 17.671 -0.426 1.806 99 HG3 LYS 13 HG1 LYS 13 16.374 -1.427 2.457 100 HD2 LYS 13 HD2 LYS 13 18.041 -2.556 0.878 101 HD3 LYS 13 HD1 LYS 13 16.328 -2.805 0.550 102 HE2 LYS 13 HE2 LYS 13 17.651 -2.349 -1.485 103 HE3 LYS 13 HE1 LYS 13 16.367 -1.171 -1.208 104 HZ1 LYS 13 HZ1 LYS 13 18.381 -0.057 -1.866 105 HZ2 LYS 13 HZ2 LYS 13 19.260 -0.800 -0.626 106 HZ3 LYS 13 HZ3 LYS 13 18.051 0.320 -0.251 107 H ALA 14 HN ALA 14 13.001 0.470 0.507 108 HA ALA 14 HA ALA 14 12.988 2.961 -0.808 109 HB1 ALA 14 HB1 ALA 14 10.561 1.226 -0.623 110 HB2 ALA 14 HB2 ALA 14 11.979 0.688 -1.518 111 HB3 ALA 14 HB3 ALA 14 11.155 2.176 -1.986 112 H ILE 15 HN ILE 15 11.031 1.673 1.850 113 HA ILE 15 HA ILE 15 9.210 3.727 2.077 114 HB ILE 15 HB ILE 15 10.302 1.775 4.044 115 HG12 ILE 15 HG12 ILE 15 7.691 2.390 2.707 116 HG13 ILE 15 HG11 ILE 15 8.763 1.044 2.350 117 HG21 ILE 15 HG21 ILE 15 8.778 2.533 5.750 118 HG22 ILE 15 HG22 ILE 15 8.179 3.819 4.708 119 HG23 ILE 15 HG23 ILE 15 9.831 3.881 5.322 120 HD11 ILE 15 HD11 ILE 15 7.179 -0.003 3.601 121 HD12 ILE 15 HD12 ILE 15 6.828 1.449 4.530 122 HD13 ILE 15 HD13 ILE 15 8.270 0.500 4.895 123 H GLY 16 HN GLY 16 12.396 3.412 3.647 124 HA2 GLY 16 HA2 GLY 16 12.165 6.154 4.645 125 HA3 GLY 16 HA1 GLY 16 13.386 4.987 5.116 126 H ALA 17 HN ALA 17 13.472 4.657 1.910 127 HA ALA 17 HA ALA 17 15.878 6.107 1.620 128 HB1 ALA 17 HB1 ALA 17 14.083 4.729 -0.347 129 HB2 ALA 17 HB2 ALA 17 15.685 4.252 0.220 130 HB3 ALA 17 HB3 ALA 17 15.508 5.627 -0.869 131 H PHE 18 HN PHE 18 12.712 6.678 0.086 132 HA PHE 18 HA PHE 18 13.362 9.525 0.012 133 HD1 PHE 18 HD1 PHE 18 11.165 6.804 -0.894 134 HD2 PHE 18 HD2 PHE 18 12.565 8.453 -4.563 135 HE1 PHE 18 HE1 PHE 18 9.797 5.192 -2.137 136 HE2 PHE 18 HE2 PHE 18 11.185 6.845 -5.809 137 HZ PHE 18 HZ PHE 18 9.800 5.213 -4.596 138 HB2 PHE 18 HB2 PHE 18 12.580 9.731 -2.265 139 HB3 PHE 18 HB1 PHE 18 13.863 8.536 -2.165 140 H THR 19 HN THR 19 11.921 9.341 1.953 141 HA THR 19 HA THR 19 9.312 8.638 2.069 142 HB THR 19 HB THR 19 8.922 10.494 3.655 143 HG1 THR 19 HG1 THR 19 10.587 12.008 3.985 144 HG21 THR 19 HG21 THR 19 11.614 9.155 3.954 145 HG22 THR 19 HG22 THR 19 10.057 8.474 4.430 146 HG23 THR 19 HG23 THR 19 10.687 9.900 5.256 147 H ALA 20 HN ALA 20 10.611 11.452 0.423 148 HA ALA 20 HA ALA 20 8.378 12.941 -0.111 149 HB1 ALA 20 HB1 ALA 20 9.505 13.704 -2.140 150 HB2 ALA 20 HB2 ALA 20 10.638 12.356 -2.022 151 HB3 ALA 20 HB3 ALA 20 10.626 13.611 -0.782 152 H ALA 21 HN ALA 21 9.523 10.050 -1.832 153 HA ALA 21 HA ALA 21 7.751 9.941 -3.928 154 HB1 ALA 21 HB1 ALA 21 8.010 7.511 -3.885 155 HB2 ALA 21 HB2 ALA 21 8.682 7.611 -2.257 156 HB3 ALA 21 HB3 ALA 21 9.553 8.319 -3.617 157 H ASP 22 HN ASP 22 7.269 8.202 -0.885 158 HA ASP 22 HA ASP 22 4.517 7.740 -1.287 159 HB2 ASP 22 HB2 ASP 22 5.860 6.399 0.277 160 HB3 ASP 22 HB1 ASP 22 6.093 7.815 1.299 161 H SER 23 HN SER 23 6.307 10.463 -0.175 162 HA SER 23 HA SER 23 4.378 11.776 1.366 163 HG SER 23 HG SER 23 6.521 14.383 1.710 164 HB2 SER 23 HB2 SER 23 6.904 12.325 0.984 165 HB3 SER 23 HB1 SER 23 6.313 13.264 -0.387 166 H PHE 24 HN PHE 24 5.185 12.192 -2.091 167 HA PHE 24 HA PHE 24 2.684 13.655 -2.455 168 HD1 PHE 24 HD1 PHE 24 4.260 11.967 -5.887 169 HD2 PHE 24 HD2 PHE 24 6.820 14.101 -3.242 170 HE1 PHE 24 HE1 PHE 24 6.202 10.792 -6.830 171 HE2 PHE 24 HE2 PHE 24 8.769 12.927 -4.180 172 HZ PHE 24 HZ PHE 24 8.462 11.273 -5.977 173 HB2 PHE 24 HB2 PHE 24 3.576 14.111 -4.750 174 HB3 PHE 24 HB1 PHE 24 4.578 14.732 -3.444 175 H ASP 25 HN ASP 25 4.319 10.733 -3.624 176 HA ASP 25 HA ASP 25 1.738 9.589 -4.288 177 HB2 ASP 25 HB2 ASP 25 3.854 10.117 -6.370 178 HB3 ASP 25 HB1 ASP 25 2.596 8.902 -6.587 179 H HIS 26 HN HIS 26 1.872 7.774 -3.112 180 HA HIS 26 HA HIS 26 4.308 6.381 -2.650 181 HD1 HIS 26 HD1 HIS 26 2.881 3.998 0.405 182 HD2 HIS 26 HD2 HIS 26 1.985 3.289 -3.586 183 HE1 HIS 26 HE1 HIS 26 2.644 1.501 0.206 184 HE2 HIS 26 HE2 HIS 26 2.116 1.091 -2.223 185 HB2 HIS 26 HB2 HIS 26 2.852 6.068 -0.906 186 HB3 HIS 26 HB1 HIS 26 1.439 5.976 -1.935 187 H LYS 27 HN LYS 27 2.152 6.407 -5.295 188 HA LYS 27 HA LYS 27 2.164 3.862 -6.262 189 HB2 LYS 27 HB2 LYS 27 2.540 6.404 -7.825 190 HB3 LYS 27 HB1 LYS 27 1.979 4.885 -8.483 191 HG2 LYS 27 HG2 LYS 27 0.565 6.819 -6.704 192 HG3 LYS 27 HG1 LYS 27 0.041 6.123 -8.238 193 HD2 LYS 27 HD2 LYS 27 0.415 4.501 -5.747 194 HD3 LYS 27 HD1 LYS 27 -1.119 5.254 -6.169 195 HE2 LYS 27 HE2 LYS 27 -1.119 4.000 -8.283 196 HE3 LYS 27 HE1 LYS 27 0.397 3.230 -7.816 197 HZ1 LYS 27 HZ1 LYS 27 -0.751 2.304 -5.874 198 HZ2 LYS 27 HZ2 LYS 27 -1.446 1.785 -7.323 199 HZ3 LYS 27 HZ3 LYS 27 -2.206 2.984 -6.406 200 H LYS 28 HN LYS 28 4.619 6.381 -6.795 201 HA LYS 28 HA LYS 28 6.432 4.803 -8.244 202 HB2 LYS 28 HB2 LYS 28 6.665 7.235 -8.105 203 HB3 LYS 28 HB1 LYS 28 6.927 7.128 -6.367 204 HG2 LYS 28 HG2 LYS 28 9.023 7.495 -7.499 205 HG3 LYS 28 HG1 LYS 28 9.005 5.888 -6.770 206 HD2 LYS 28 HD2 LYS 28 9.960 5.877 -9.040 207 HD3 LYS 28 HD1 LYS 28 8.507 4.884 -8.919 208 HE2 LYS 28 HE2 LYS 28 7.185 6.656 -9.917 209 HE3 LYS 28 HE1 LYS 28 8.597 7.708 -9.971 210 HZ1 LYS 28 HZ1 LYS 28 8.315 5.140 -11.435 211 HZ2 LYS 28 HZ2 LYS 28 9.647 6.178 -11.507 212 HZ3 LYS 28 HZ3 LYS 28 8.153 6.679 -12.117 213 H PHE 29 HN PHE 29 6.069 5.467 -4.803 214 HA PHE 29 HA PHE 29 8.202 3.955 -3.859 215 HD1 PHE 29 HD2 PHE 29 8.753 3.787 -1.048 216 HD2 PHE 29 HD1 PHE 29 4.621 2.948 -1.521 217 HE1 PHE 29 HE2 PHE 29 8.886 2.134 0.766 218 HE2 PHE 29 HE1 PHE 29 4.740 1.292 0.294 219 HZ PHE 29 HZ PHE 29 6.871 0.878 1.433 220 HB2 PHE 29 HB2 PHE 29 7.160 5.329 -2.255 221 HB3 PHE 29 HB1 PHE 29 5.549 4.738 -2.650 222 H PHE 30 HN PHE 30 4.941 3.016 -4.820 223 HA PHE 30 HA PHE 30 4.833 0.395 -3.924 224 HD1 PHE 30 HD1 PHE 30 3.544 -1.726 -5.741 225 HD2 PHE 30 HD2 PHE 30 1.392 1.688 -4.409 226 HE1 PHE 30 HE1 PHE 30 1.733 -3.183 -4.922 227 HE2 PHE 30 HE2 PHE 30 -0.408 0.240 -3.574 228 HZ PHE 30 HZ PHE 30 -0.238 -2.202 -3.834 229 HB2 PHE 30 HB2 PHE 30 3.320 1.991 -5.624 230 HB3 PHE 30 HB1 PHE 30 3.879 0.697 -6.673 231 H GLN 31 HN GLN 31 6.677 1.815 -6.490 232 HA GLN 31 HA GLN 31 7.471 -0.688 -7.674 233 HB2 GLN 31 HB2 GLN 31 8.710 1.998 -8.159 234 HB3 GLN 31 HB1 GLN 31 8.656 0.624 -9.249 235 HG2 GLN 31 HG2 GLN 31 6.207 0.942 -9.426 236 HG3 GLN 31 HG1 GLN 31 6.356 2.378 -8.419 237 HE21 GLN 31 HE21 GLN 31 5.592 3.741 -10.021 238 HE22 GLN 31 HE22 GLN 31 6.523 4.141 -11.420 239 H MET 32 HN MET 32 9.061 1.875 -5.792 240 HA MET 32 HA MET 32 11.564 0.533 -5.621 241 HB2 MET 32 HB2 MET 32 10.565 2.677 -3.770 242 HB3 MET 32 HB1 MET 32 12.234 2.292 -4.185 243 HG2 MET 32 HG2 MET 32 10.139 3.507 -5.948 244 HG3 MET 32 HG1 MET 32 11.616 4.255 -5.348 245 HE1 MET 32 HE1 MET 32 12.281 3.957 -9.203 246 HE2 MET 32 HE2 MET 32 12.035 5.050 -7.841 247 HE3 MET 32 HE3 MET 32 10.673 4.149 -8.508 248 H VAL 33 HN VAL 33 8.660 0.481 -3.739 249 HA VAL 33 HA VAL 33 9.769 -0.572 -1.341 250 HB VAL 33 HB VAL 33 7.593 0.601 -1.428 251 HG11 VAL 33 HG11 VAL 33 6.395 -1.905 -2.536 252 HG12 VAL 33 HG12 VAL 33 6.953 -0.614 -3.595 253 HG13 VAL 33 HG13 VAL 33 5.691 -0.295 -2.406 254 HG21 VAL 33 HG21 VAL 33 7.832 -0.597 0.527 255 HG22 VAL 33 HG22 VAL 33 7.829 -2.137 -0.326 256 HG23 VAL 33 HG23 VAL 33 6.324 -1.249 -0.119 257 H GLY 34 HN GLY 34 8.783 -1.952 -4.335 258 HA2 GLY 34 HA2 GLY 34 9.405 -4.085 -5.093 259 HA3 GLY 34 HA1 GLY 34 9.753 -4.544 -3.437 260 H LEU 35 HN LEU 35 6.699 -3.049 -4.062 261 HA LEU 35 HA LEU 35 5.297 -5.372 -3.165 262 HG LEU 35 HG LEU 35 4.825 -3.723 -1.586 263 HB2 LEU 35 HB2 LEU 35 4.524 -2.647 -4.100 264 HB3 LEU 35 HB1 LEU 35 3.299 -3.900 -4.078 265 HD11 LEU 35 HD11 LEU 35 4.004 -1.285 -2.786 266 HD12 LEU 35 HD12 LEU 35 4.673 -1.547 -1.175 267 HD13 LEU 35 HD13 LEU 35 2.929 -1.615 -1.428 268 HD21 LEU 35 HD21 LEU 35 2.924 -5.095 -1.597 269 HD22 LEU 35 HD22 LEU 35 1.943 -3.874 -2.403 270 HD23 LEU 35 HD23 LEU 35 2.429 -3.646 -0.724 271 H LYS 36 HN LYS 36 6.198 -4.051 -6.235 272 HA LYS 36 HA LYS 36 4.412 -5.752 -7.736 273 HB2 LYS 36 HB2 LYS 36 6.686 -3.954 -8.569 274 HB3 LYS 36 HB1 LYS 36 5.666 -4.833 -9.698 275 HG2 LYS 36 HG2 LYS 36 4.077 -3.276 -9.599 276 HG3 LYS 36 HG1 LYS 36 4.096 -3.268 -7.833 277 HD2 LYS 36 HD2 LYS 36 4.704 -1.056 -8.863 278 HD3 LYS 36 HD1 LYS 36 5.931 -1.741 -7.797 279 HE2 LYS 36 HE2 LYS 36 6.818 -0.780 -9.906 280 HE3 LYS 36 HE1 LYS 36 7.243 -2.468 -9.659 281 HZ1 LYS 36 HZ1 LYS 36 6.551 -2.070 -11.930 282 HZ2 LYS 36 HZ2 LYS 36 5.065 -1.457 -11.407 283 HZ3 LYS 36 HZ3 LYS 36 5.440 -3.087 -11.157 284 H LYS 37 HN LYS 37 6.986 -6.521 -5.935 285 HA LYS 37 HA LYS 37 8.838 -7.843 -7.482 286 HB2 LYS 37 HB2 LYS 37 9.190 -7.593 -5.116 287 HB3 LYS 37 HB1 LYS 37 7.724 -8.491 -4.752 288 HG2 LYS 37 HG2 LYS 37 8.797 -10.502 -5.768 289 HG3 LYS 37 HG1 LYS 37 10.288 -9.568 -5.900 290 HD2 LYS 37 HD2 LYS 37 9.924 -9.123 -3.363 291 HD3 LYS 37 HD1 LYS 37 8.867 -10.535 -3.450 292 HE2 LYS 37 HE2 LYS 37 10.689 -11.890 -4.286 293 HE3 LYS 37 HE1 LYS 37 11.749 -10.485 -4.342 294 HZ1 LYS 37 HZ1 LYS 37 12.191 -11.795 -2.385 295 HZ2 LYS 37 HZ2 LYS 37 10.575 -11.692 -1.897 296 HZ3 LYS 37 HZ3 LYS 37 11.539 -10.303 -1.927 297 H LYS 38 HN LYS 38 5.907 -9.230 -6.006 298 HA LYS 38 HA LYS 38 5.929 -11.289 -8.112 299 HB2 LYS 38 HB2 LYS 38 5.648 -11.536 -5.166 300 HB3 LYS 38 HB1 LYS 38 4.642 -12.583 -6.154 301 HG2 LYS 38 HG2 LYS 38 6.627 -13.455 -7.268 302 HG3 LYS 38 HG1 LYS 38 7.643 -12.399 -6.280 303 HD2 LYS 38 HD2 LYS 38 5.734 -14.382 -5.077 304 HD3 LYS 38 HD1 LYS 38 7.391 -14.815 -5.508 305 HE2 LYS 38 HE2 LYS 38 6.686 -12.512 -3.696 306 HE3 LYS 38 HE1 LYS 38 7.048 -14.135 -3.110 307 HZ1 LYS 38 HZ1 LYS 38 8.990 -12.695 -3.041 308 HZ2 LYS 38 HZ2 LYS 38 8.880 -12.432 -4.708 309 HZ3 LYS 38 HZ3 LYS 38 9.232 -13.979 -4.118 310 H SER 39 HN SER 39 3.579 -12.505 -7.745 311 HA SER 39 HA SER 39 1.725 -10.831 -8.953 312 HG SER 39 HG SER 39 2.001 -12.908 -9.968 313 HB2 SER 39 HB2 SER 39 1.152 -13.312 -7.314 314 HB3 SER 39 HB1 SER 39 0.073 -12.583 -8.503 315 H ALA 40 HN ALA 40 -0.579 -10.525 -7.984 316 HA ALA 40 HA ALA 40 -0.369 -8.651 -5.872 317 HB1 ALA 40 HB1 ALA 40 -2.947 -8.849 -5.990 318 HB2 ALA 40 HB2 ALA 40 -2.635 -9.891 -7.380 319 HB3 ALA 40 HB3 ALA 40 -2.073 -8.220 -7.387 320 H ASP 41 HN ASP 41 -0.832 -12.066 -5.932 321 HA ASP 41 HA ASP 41 -2.267 -12.423 -3.543 322 HB2 ASP 41 HB2 ASP 41 -0.215 -14.253 -4.808 323 HB3 ASP 41 HB1 ASP 41 -1.385 -14.719 -3.576 324 H ASP 42 HN ASP 42 1.214 -12.270 -4.197 325 HA ASP 42 HA ASP 42 2.092 -12.798 -1.589 326 HB2 ASP 42 HB2 ASP 42 3.383 -11.167 -3.784 327 HB3 ASP 42 HB1 ASP 42 4.201 -11.666 -2.306 328 H VAL 43 HN VAL 43 1.621 -9.670 -3.232 329 HA VAL 43 HA VAL 43 2.213 -8.057 -1.014 330 HB VAL 43 HB VAL 43 0.926 -6.285 -2.199 331 HG11 VAL 43 HG11 VAL 43 2.831 -7.911 -3.874 332 HG12 VAL 43 HG12 VAL 43 3.247 -6.593 -2.777 333 HG13 VAL 43 HG13 VAL 43 2.327 -6.265 -4.245 334 HG21 VAL 43 HG21 VAL 43 0.241 -8.558 -4.042 335 HG22 VAL 43 HG22 VAL 43 0.069 -6.861 -4.485 336 HG23 VAL 43 HG23 VAL 43 -0.873 -7.524 -3.149 337 H LYS 44 HN LYS 44 -0.805 -9.453 -2.168 338 HA LYS 44 HA LYS 44 -2.647 -8.207 -0.540 339 HB2 LYS 44 HB2 LYS 44 -3.338 -9.611 -2.343 340 HB3 LYS 44 HB1 LYS 44 -2.547 -11.008 -1.631 341 HG2 LYS 44 HG2 LYS 44 -4.150 -10.946 0.231 342 HG3 LYS 44 HG1 LYS 44 -4.940 -9.564 -0.521 343 HD2 LYS 44 HD2 LYS 44 -4.736 -12.355 -1.601 344 HD3 LYS 44 HD1 LYS 44 -6.194 -11.528 -1.065 345 HE2 LYS 44 HE2 LYS 44 -5.904 -9.896 -2.887 346 HE3 LYS 44 HE1 LYS 44 -4.483 -10.785 -3.436 347 HZ1 LYS 44 HZ1 LYS 44 -7.257 -11.840 -3.322 348 HZ2 LYS 44 HZ2 LYS 44 -5.899 -12.717 -3.815 349 HZ3 LYS 44 HZ3 LYS 44 -6.422 -11.388 -4.722 350 H LYS 45 HN LYS 45 -0.321 -10.661 0.283 351 HA LYS 45 HA LYS 45 -1.574 -11.762 2.545 352 HB2 LYS 45 HB2 LYS 45 1.077 -11.815 1.346 353 HB3 LYS 45 HB1 LYS 45 1.136 -11.869 3.098 354 HG2 LYS 45 HG2 LYS 45 1.112 -14.102 2.180 355 HG3 LYS 45 HG1 LYS 45 -0.374 -13.795 3.080 356 HD2 LYS 45 HD2 LYS 45 -1.543 -13.333 0.974 357 HD3 LYS 45 HD1 LYS 45 -0.055 -13.656 0.082 358 HE2 LYS 45 HE2 LYS 45 -1.563 -15.615 1.809 359 HE3 LYS 45 HE1 LYS 45 -1.526 -15.596 0.047 360 HZ1 LYS 45 HZ1 LYS 45 0.854 -16.020 0.132 361 HZ2 LYS 45 HZ2 LYS 45 0.002 -17.236 0.941 362 HZ3 LYS 45 HZ3 LYS 45 0.813 -16.044 1.823 363 H VAL 46 HN VAL 46 0.671 -9.028 2.191 364 HA VAL 46 HA VAL 46 0.831 -8.462 4.949 365 HB VAL 46 HB VAL 46 2.257 -7.518 2.962 366 HG11 VAL 46 HG11 VAL 46 1.696 -5.388 2.116 367 HG12 VAL 46 HG12 VAL 46 0.343 -5.219 3.235 368 HG13 VAL 46 HG13 VAL 46 0.253 -6.382 1.916 369 HG21 VAL 46 HG21 VAL 46 2.971 -5.648 4.364 370 HG22 VAL 46 HG22 VAL 46 2.699 -7.105 5.318 371 HG23 VAL 46 HG23 VAL 46 1.502 -5.810 5.326 372 H PHE 47 HN PHE 47 -1.549 -7.822 2.518 373 HA PHE 47 HA PHE 47 -2.889 -5.716 3.724 374 HD1 PHE 47 HD2 PHE 47 -3.538 -4.207 1.951 375 HD2 PHE 47 HD1 PHE 47 -6.584 -7.146 2.356 376 HE1 PHE 47 HE2 PHE 47 -5.246 -2.444 1.815 377 HE2 PHE 47 HE1 PHE 47 -8.300 -5.382 2.234 378 HZ PHE 47 HZ PHE 47 -7.633 -3.032 1.958 379 HB2 PHE 47 HB2 PHE 47 -3.232 -6.741 1.398 380 HB3 PHE 47 HB1 PHE 47 -4.370 -7.819 2.207 381 H HIS 48 HN HIS 48 -2.910 -9.126 4.369 382 HA HIS 48 HA HIS 48 -5.257 -9.131 5.997 383 HD1 HIS 48 HD1 HIS 48 -6.573 -11.942 6.238 384 HD2 HIS 48 HD2 HIS 48 -3.112 -11.916 8.538 385 HE1 HIS 48 HE1 HIS 48 -7.147 -13.212 8.332 386 HE2 HIS 48 HE2 HIS 48 -5.018 -13.242 9.678 387 HB2 HIS 48 HB2 HIS 48 -4.442 -11.198 4.959 388 HB3 HIS 48 HB1 HIS 48 -2.945 -11.086 5.879 389 H ILE 49 HN ILE 49 -1.873 -8.536 6.458 390 HA ILE 49 HA ILE 49 -1.729 -8.697 9.267 391 HB ILE 49 HB ILE 49 -0.157 -6.915 7.399 392 HG12 ILE 49 HG12 ILE 49 0.017 -9.236 6.700 393 HG13 ILE 49 HG11 ILE 49 1.533 -8.729 7.438 394 HG21 ILE 49 HG21 ILE 49 1.589 -7.077 9.182 395 HG22 ILE 49 HG22 ILE 49 0.379 -7.833 10.218 396 HG23 ILE 49 HG23 ILE 49 0.143 -6.180 9.648 397 HD11 ILE 49 HD11 ILE 49 0.919 -9.872 9.495 398 HD12 ILE 49 HD12 ILE 49 0.909 -10.974 8.118 399 HD13 ILE 49 HD13 ILE 49 -0.612 -10.363 8.770 400 H LEU 50 HN LEU 50 -2.233 -5.986 7.057 401 HA LEU 50 HA LEU 50 -2.774 -4.145 9.201 402 HG LEU 50 HG LEU 50 -3.214 -4.839 5.636 403 HB2 LEU 50 HB2 LEU 50 -2.864 -2.513 7.447 404 HB3 LEU 50 HB1 LEU 50 -1.487 -3.557 7.195 405 HD11 LEU 50 HD11 LEU 50 -4.589 -3.202 4.406 406 HD12 LEU 50 HD12 LEU 50 -4.172 -1.980 5.609 407 HD13 LEU 50 HD13 LEU 50 -5.103 -3.400 6.080 408 HD21 LEU 50 HD21 LEU 50 -1.736 -2.336 4.832 409 HD22 LEU 50 HD22 LEU 50 -2.262 -3.627 3.752 410 HD23 LEU 50 HD23 LEU 50 -1.034 -3.946 4.977 411 H ASP 51 HN ASP 51 -4.606 -5.885 6.743 412 HA ASP 51 HA ASP 51 -7.086 -4.607 7.666 413 HB2 ASP 51 HB2 ASP 51 -6.472 -4.547 5.219 414 HB3 ASP 51 HB1 ASP 51 -6.729 -6.280 5.224 415 H LYS 52 HN LYS 52 -6.259 -6.387 9.499 416 HA LYS 52 HA LYS 52 -7.110 -9.038 8.966 417 HB2 LYS 52 HB2 LYS 52 -6.585 -9.554 11.196 418 HB3 LYS 52 HB1 LYS 52 -5.421 -8.338 10.705 419 HG2 LYS 52 HG2 LYS 52 -7.885 -7.716 12.317 420 HG3 LYS 52 HG1 LYS 52 -6.327 -8.111 13.021 421 HD2 LYS 52 HD2 LYS 52 -6.892 -5.777 11.194 422 HD3 LYS 52 HD1 LYS 52 -6.644 -5.703 12.935 423 HE2 LYS 52 HE2 LYS 52 -4.377 -6.645 12.602 424 HE3 LYS 52 HE1 LYS 52 -4.640 -6.569 10.861 425 HZ1 LYS 52 HZ1 LYS 52 -3.396 -4.657 11.679 426 HZ2 LYS 52 HZ2 LYS 52 -4.676 -4.240 12.702 427 HZ3 LYS 52 HZ3 LYS 52 -4.882 -4.181 11.024 428 H ASP 53 HN ASP 53 -8.635 -6.470 10.951 429 HA ASP 53 HA ASP 53 -11.167 -7.939 10.652 430 HB2 ASP 53 HB2 ASP 53 -11.882 -6.933 12.774 431 HB3 ASP 53 HB1 ASP 53 -10.407 -7.873 12.977 432 H LYS 54 HN LYS 54 -9.932 -5.777 8.923 433 HA LYS 54 HA LYS 54 -11.665 -3.520 9.370 434 HB2 LYS 54 HB2 LYS 54 -9.360 -3.272 8.596 435 HB3 LYS 54 HB1 LYS 54 -9.815 -4.002 7.069 436 HG2 LYS 54 HG2 LYS 54 -9.759 -1.623 6.813 437 HG3 LYS 54 HG1 LYS 54 -11.434 -2.162 6.735 438 HD2 LYS 54 HD2 LYS 54 -11.688 -1.565 9.129 439 HD3 LYS 54 HD1 LYS 54 -10.047 -0.915 9.104 440 HE2 LYS 54 HE2 LYS 54 -11.622 0.888 8.826 441 HE3 LYS 54 HE1 LYS 54 -10.737 0.651 7.319 442 HZ1 LYS 54 HZ1 LYS 54 -13.079 0.967 6.891 443 HZ2 LYS 54 HZ2 LYS 54 -13.480 -0.326 7.904 444 HZ3 LYS 54 HZ3 LYS 54 -12.631 -0.609 6.468 445 H SER 55 HN SER 55 -12.198 -6.478 8.027 446 HA SER 55 HA SER 55 -14.071 -7.278 6.982 447 HG SER 55 HG SER 55 -16.681 -6.390 6.810 448 HB2 SER 55 HB2 SER 55 -15.225 -5.148 7.730 449 HB3 SER 55 HB1 SER 55 -14.802 -4.466 6.160 450 H GLY 56 HN GLY 56 -11.396 -6.317 5.716 451 HA2 GLY 56 HA2 GLY 56 -10.483 -6.975 3.674 452 HA3 GLY 56 HA1 GLY 56 -12.106 -7.257 3.066 453 H PHE 57 HN PHE 57 -12.589 -4.348 4.189 454 HA PHE 57 HA PHE 57 -11.334 -2.938 1.932 455 HD1 PHE 57 HD2 PHE 57 -14.761 -4.927 2.446 456 HD2 PHE 57 HD1 PHE 57 -13.089 -2.431 -0.568 457 HE1 PHE 57 HE2 PHE 57 -15.478 -6.533 0.725 458 HE2 PHE 57 HE1 PHE 57 -13.803 -4.030 -2.295 459 HZ PHE 57 HZ PHE 57 -14.999 -6.086 -1.649 460 HB2 PHE 57 HB2 PHE 57 -14.186 -2.590 2.886 461 HB3 PHE 57 HB1 PHE 57 -13.399 -1.611 1.649 462 H ILE 58 HN ILE 58 -10.275 -1.161 2.496 463 HA ILE 58 HA ILE 58 -10.632 -0.189 5.248 464 HB ILE 58 HB ILE 58 -8.274 0.466 3.503 465 HG12 ILE 58 HG12 ILE 58 -8.455 -1.897 5.381 466 HG13 ILE 58 HG11 ILE 58 -8.663 -2.038 3.641 467 HG21 ILE 58 HG21 ILE 58 -7.184 0.640 5.734 468 HG22 ILE 58 HG22 ILE 58 -8.754 0.330 6.476 469 HG23 ILE 58 HG23 ILE 58 -8.507 1.781 5.505 470 HD11 ILE 58 HD11 ILE 58 -6.370 -1.037 3.406 471 HD12 ILE 58 HD12 ILE 58 -6.448 -2.654 4.108 472 HD13 ILE 58 HD13 ILE 58 -6.194 -1.248 5.148 473 H GLU 59 HN GLU 59 -10.876 1.935 5.697 474 HA GLU 59 HA GLU 59 -11.958 3.526 3.496 475 HB2 GLU 59 HB2 GLU 59 -12.657 3.078 6.323 476 HB3 GLU 59 HB1 GLU 59 -12.904 4.717 5.721 477 HG2 GLU 59 HG2 GLU 59 -14.448 3.993 4.102 478 HG3 GLU 59 HG1 GLU 59 -13.980 2.303 4.295 479 H GLU 60 HN GLU 60 -11.406 5.569 3.184 480 HA GLU 60 HA GLU 60 -8.933 6.547 3.399 481 HB2 GLU 60 HB2 GLU 60 -9.902 8.827 3.234 482 HB3 GLU 60 HB1 GLU 60 -10.608 7.671 2.106 483 HG2 GLU 60 HG2 GLU 60 -12.613 7.647 3.161 484 HG3 GLU 60 HG1 GLU 60 -11.891 7.976 4.735 485 H ASP 61 HN ASP 61 -11.291 6.596 5.988 486 HA ASP 61 HA ASP 61 -9.941 8.478 7.624 487 HB2 ASP 61 HB2 ASP 61 -11.909 6.314 8.399 488 HB3 ASP 61 HB1 ASP 61 -11.410 7.654 9.427 489 H GLU 62 HN GLU 62 -10.104 4.918 7.742 490 HA GLU 62 HA GLU 62 -7.974 4.838 9.715 491 HB2 GLU 62 HB2 GLU 62 -9.521 2.652 8.312 492 HB3 GLU 62 HB1 GLU 62 -8.254 2.347 9.493 493 HG2 GLU 62 HG2 GLU 62 -10.440 2.185 10.515 494 HG3 GLU 62 HG1 GLU 62 -9.537 3.541 11.188 495 H LEU 63 HN LEU 63 -8.405 4.501 6.316 496 HA LEU 63 HA LEU 63 -6.325 3.081 5.408 497 HG LEU 63 HG LEU 63 -8.747 3.204 4.151 498 HB2 LEU 63 HB2 LEU 63 -7.775 5.440 4.493 499 HB3 LEU 63 HB1 LEU 63 -6.370 4.974 3.568 500 HD11 LEU 63 HD11 LEU 63 -8.463 3.591 1.406 501 HD12 LEU 63 HD12 LEU 63 -8.323 5.198 2.118 502 HD13 LEU 63 HD13 LEU 63 -9.745 4.207 2.439 503 HD21 LEU 63 HD21 LEU 63 -6.928 1.794 3.915 504 HD22 LEU 63 HD22 LEU 63 -6.189 2.819 2.718 505 HD23 LEU 63 HD23 LEU 63 -7.596 1.870 2.286 506 H GLY 64 HN GLY 64 -6.243 6.499 6.247 507 HA2 GLY 64 HA2 GLY 64 -3.478 6.815 5.688 508 HA3 GLY 64 HA1 GLY 64 -4.470 7.936 6.611 509 H SER 65 HN SER 65 -5.222 5.711 8.466 510 HA SER 65 HA SER 65 -2.966 6.017 10.245 511 HG SER 65 HG SER 65 -6.031 6.413 11.950 512 HB2 SER 65 HB2 SER 65 -5.592 4.552 10.622 513 HB3 SER 65 HB1 SER 65 -4.397 4.844 11.886 514 H ILE 66 HN ILE 66 -4.861 3.218 9.150 515 HA ILE 66 HA ILE 66 -3.063 1.261 9.944 516 HB ILE 66 HB ILE 66 -5.352 0.768 9.301 517 HG12 ILE 66 HG12 ILE 66 -4.940 -1.273 8.022 518 HG13 ILE 66 HG11 ILE 66 -3.356 -0.651 7.579 519 HG21 ILE 66 HG21 ILE 66 -4.847 0.758 6.419 520 HG22 ILE 66 HG22 ILE 66 -4.931 2.358 7.155 521 HG23 ILE 66 HG23 ILE 66 -6.283 1.240 7.322 522 HD11 ILE 66 HD11 ILE 66 -4.275 -1.328 10.355 523 HD12 ILE 66 HD12 ILE 66 -2.698 -0.662 9.936 524 HD13 ILE 66 HD13 ILE 66 -3.160 -2.262 9.362 525 H LEU 67 HN LEU 67 -2.766 3.497 7.350 526 HA LEU 67 HA LEU 67 -1.279 2.041 5.483 527 HG LEU 67 HG LEU 67 -2.149 5.035 3.733 528 HB2 LEU 67 HB2 LEU 67 -2.009 4.755 6.032 529 HB3 LEU 67 HB1 LEU 67 -0.327 4.697 5.554 530 HD11 LEU 67 HD11 LEU 67 -0.766 3.354 2.249 531 HD12 LEU 67 HD12 LEU 67 0.272 3.356 3.673 532 HD13 LEU 67 HD13 LEU 67 -0.081 4.867 2.839 533 HD21 LEU 67 HD21 LEU 67 -3.591 3.420 3.309 534 HD22 LEU 67 HD22 LEU 67 -2.973 2.537 4.696 535 HD23 LEU 67 HD23 LEU 67 -2.283 2.259 3.105 536 H LYS 68 HN LYS 68 -0.143 3.927 8.291 537 HA LYS 68 HA LYS 68 2.562 3.646 7.726 538 HB2 LYS 68 HB2 LYS 68 2.797 3.995 10.280 539 HB3 LYS 68 HB1 LYS 68 2.122 5.259 9.263 540 HG2 LYS 68 HG2 LYS 68 0.924 4.963 11.380 541 HG3 LYS 68 HG1 LYS 68 -0.080 4.763 9.942 542 HD2 LYS 68 HD2 LYS 68 -0.618 3.041 11.567 543 HD3 LYS 68 HD1 LYS 68 0.171 2.304 10.172 544 HE2 LYS 68 HE2 LYS 68 2.269 2.198 11.369 545 HE3 LYS 68 HE1 LYS 68 1.563 3.050 12.742 546 HZ1 LYS 68 HZ1 LYS 68 0.036 1.181 13.039 547 HZ2 LYS 68 HZ2 LYS 68 1.650 0.692 13.168 548 HZ3 LYS 68 HZ3 LYS 68 0.777 0.360 11.758 549 H GLY 69 HN GLY 69 0.404 1.154 8.545 550 HA2 GLY 69 HA2 GLY 69 1.862 -0.560 10.121 551 HA3 GLY 69 HA1 GLY 69 0.887 -1.109 8.758 552 H PHE 70 HN PHE 70 2.232 0.049 6.653 553 HA PHE 70 HA PHE 70 4.725 -1.472 6.625 554 HD1 PHE 70 HD2 PHE 70 1.149 -1.549 5.217 555 HD2 PHE 70 HD1 PHE 70 3.709 1.097 3.073 556 HE1 PHE 70 HE2 PHE 70 -0.817 -0.395 4.300 557 HE2 PHE 70 HE1 PHE 70 1.733 2.265 2.140 558 HZ PHE 70 HZ PHE 70 -0.527 1.501 2.762 559 HB2 PHE 70 HB2 PHE 70 4.594 -0.835 4.097 560 HB3 PHE 70 HB1 PHE 70 3.547 -2.098 4.727 561 H SER 71 HN SER 71 3.418 1.698 5.823 562 HA SER 71 HA SER 71 5.892 2.940 5.202 563 HG SER 71 HG SER 71 3.149 4.297 3.565 564 HB2 SER 71 HB2 SER 71 3.333 4.319 5.990 565 HB3 SER 71 HB1 SER 71 4.651 4.956 5.005 566 H SER 72 HN SER 72 4.913 1.925 8.179 567 HA SER 72 HA SER 72 5.137 3.989 9.946 568 HG SER 72 HG SER 72 6.865 0.985 9.420 569 HB2 SER 72 HB2 SER 72 6.357 2.231 11.443 570 HB3 SER 72 HB1 SER 72 4.693 1.935 10.949 571 H ASP 73 HN ASP 73 7.696 2.673 7.987 572 HA ASP 73 HA ASP 73 9.701 4.146 9.518 573 HB2 ASP 73 HB2 ASP 73 10.284 1.897 8.929 574 HB3 ASP 73 HB1 ASP 73 9.998 2.212 7.223 575 H ALA 74 HN ALA 74 7.615 5.459 7.905 576 HA ALA 74 HA ALA 74 9.363 7.236 6.413 577 HB1 ALA 74 HB1 ALA 74 7.046 5.827 5.096 578 HB2 ALA 74 HB2 ALA 74 8.754 5.648 4.703 579 HB3 ALA 74 HB3 ALA 74 7.936 7.179 4.397 580 H ARG 75 HN ARG 75 5.841 6.826 6.233 581 HA ARG 75 HA ARG 75 5.223 8.826 8.137 582 HE ARG 75 HE ARG 75 6.791 11.338 4.365 583 HB2 ARG 75 HB2 ARG 75 4.584 10.655 6.732 584 HB3 ARG 75 HB1 ARG 75 6.238 10.225 6.329 585 HG2 ARG 75 HG2 ARG 75 5.570 9.162 4.320 586 HG3 ARG 75 HG1 ARG 75 3.863 9.252 4.767 587 HD2 ARG 75 HD2 ARG 75 4.448 10.955 3.113 588 HD3 ARG 75 HD1 ARG 75 3.940 11.680 4.643 589 HH11 ARG 75 HH11 ARG 75 4.066 13.438 3.817 590 HH12 ARG 75 HH12 ARG 75 5.023 14.881 3.773 591 HH21 ARG 75 HH21 ARG 75 8.059 13.232 4.309 592 HH22 ARG 75 HH22 ARG 75 7.292 14.764 4.050 593 H ASP 76 HN ASP 76 2.853 9.826 6.851 594 HA ASP 76 HA ASP 76 1.271 7.341 6.808 595 HB2 ASP 76 HB2 ASP 76 -0.548 8.598 7.760 596 HB3 ASP 76 HB1 ASP 76 0.894 8.899 8.721 597 H LEU 77 HN LEU 77 -1.067 8.109 5.897 598 HA LEU 77 HA LEU 77 -0.609 9.092 3.143 599 HG LEU 77 HG LEU 77 -3.366 8.487 2.300 600 HB2 LEU 77 HB2 LEU 77 -1.108 6.840 2.915 601 HB3 LEU 77 HB1 LEU 77 -2.182 6.836 4.295 602 HD11 LEU 77 HD11 LEU 77 -1.824 7.200 0.778 603 HD12 LEU 77 HD12 LEU 77 -3.543 7.038 0.424 604 HD13 LEU 77 HD13 LEU 77 -2.691 5.744 1.263 605 HD21 LEU 77 HD21 LEU 77 -4.541 7.243 4.044 606 HD22 LEU 77 HD22 LEU 77 -4.061 5.725 3.283 607 HD23 LEU 77 HD23 LEU 77 -5.147 6.832 2.440 608 H SER 78 HN SER 78 -1.119 11.253 3.828 609 HA SER 78 HA SER 78 -3.553 11.881 5.162 610 HG SER 78 HG SER 78 -0.782 13.143 3.192 611 HB2 SER 78 HB2 SER 78 -3.026 14.220 4.547 612 HB3 SER 78 HB1 SER 78 -1.635 13.397 5.253 613 H ALA 79 HN ALA 79 -4.817 13.825 3.851 614 HA ALA 79 HA ALA 79 -6.623 12.617 2.182 615 HB1 ALA 79 HB1 ALA 79 -7.332 14.811 1.523 616 HB2 ALA 79 HB2 ALA 79 -5.760 15.493 1.950 617 HB3 ALA 79 HB3 ALA 79 -6.832 14.880 3.214 618 H LYS 80 HN LYS 80 -3.777 14.487 1.237 619 HA LYS 80 HA LYS 80 -3.969 14.403 -1.496 620 HB2 LYS 80 HB2 LYS 80 -2.233 15.642 -0.288 621 HB3 LYS 80 HB1 LYS 80 -1.461 14.129 0.172 622 HG2 LYS 80 HG2 LYS 80 -0.941 13.653 -2.141 623 HG3 LYS 80 HG1 LYS 80 -1.800 15.105 -2.659 624 HD2 LYS 80 HD2 LYS 80 0.655 15.027 -0.904 625 HD3 LYS 80 HD1 LYS 80 0.615 15.476 -2.610 626 HE2 LYS 80 HE2 LYS 80 -0.931 17.331 -2.025 627 HE3 LYS 80 HE1 LYS 80 -0.725 16.914 -0.323 628 HZ1 LYS 80 HZ1 LYS 80 1.416 17.804 -2.179 629 HZ2 LYS 80 HZ2 LYS 80 1.657 17.344 -0.571 630 HZ3 LYS 80 HZ3 LYS 80 0.735 18.716 -0.928 631 H GLU 81 HN GLU 81 -2.330 11.977 0.542 632 HA GLU 81 HA GLU 81 -1.755 10.232 -1.615 633 HB2 GLU 81 HB2 GLU 81 -1.945 9.348 1.223 634 HB3 GLU 81 HB1 GLU 81 -0.814 8.819 0.003 635 HG2 GLU 81 HG2 GLU 81 -0.789 11.385 1.552 636 HG3 GLU 81 HG1 GLU 81 0.423 10.106 1.533 637 H THR 82 HN THR 82 -4.435 10.577 0.642 638 HA THR 82 HA THR 82 -5.611 8.058 0.181 639 HB THR 82 HB THR 82 -7.051 10.677 0.699 640 HG1 THR 82 HG1 THR 82 -5.898 8.758 2.455 641 HG21 THR 82 HG21 THR 82 -7.906 7.816 1.159 642 HG22 THR 82 HG22 THR 82 -8.530 8.896 -0.087 643 HG23 THR 82 HG23 THR 82 -8.825 9.251 1.615 644 H LYS 83 HN LYS 83 -6.039 11.205 -1.337 645 HA LYS 83 HA LYS 83 -7.671 10.219 -3.459 646 HB2 LYS 83 HB2 LYS 83 -6.331 12.837 -2.863 647 HB3 LYS 83 HB1 LYS 83 -7.076 12.550 -4.432 648 HG2 LYS 83 HG2 LYS 83 -8.543 12.199 -1.835 649 HG3 LYS 83 HG1 LYS 83 -8.510 13.718 -2.732 650 HD2 LYS 83 HD2 LYS 83 -9.797 12.894 -4.442 651 HD3 LYS 83 HD1 LYS 83 -9.257 11.233 -4.188 652 HE2 LYS 83 HE2 LYS 83 -11.629 11.609 -3.576 653 HE3 LYS 83 HE1 LYS 83 -10.639 11.021 -2.240 654 HZ1 LYS 83 HZ1 LYS 83 -10.489 13.281 -1.402 655 HZ2 LYS 83 HZ2 LYS 83 -12.108 12.814 -1.547 656 HZ3 LYS 83 HZ3 LYS 83 -11.423 13.852 -2.692 657 H THR 84 HN THR 84 -4.233 10.603 -2.947 658 HA THR 84 HA THR 84 -3.658 10.398 -5.763 659 HB THR 84 HB THR 84 -1.756 10.538 -3.451 660 HG1 THR 84 HG1 THR 84 -1.465 12.708 -4.437 661 HG21 THR 84 HG21 THR 84 -0.065 11.067 -5.162 662 HG22 THR 84 HG22 THR 84 -1.257 10.733 -6.419 663 HG23 THR 84 HG23 THR 84 -0.716 9.438 -5.349 664 H LEU 85 HN LEU 85 -2.742 8.523 -2.891 665 HA LEU 85 HA LEU 85 -1.849 6.328 -4.536 666 HG LEU 85 HG LEU 85 -2.229 4.281 -2.121 667 HB2 LEU 85 HB2 LEU 85 -0.583 6.767 -2.580 668 HB3 LEU 85 HB1 LEU 85 -2.012 6.715 -1.567 669 HD11 LEU 85 HD11 LEU 85 -0.242 3.147 -3.016 670 HD12 LEU 85 HD12 LEU 85 0.485 4.720 -3.344 671 HD13 LEU 85 HD13 LEU 85 -0.984 4.236 -4.188 672 HD21 LEU 85 HD21 LEU 85 0.126 5.395 -0.652 673 HD22 LEU 85 HD22 LEU 85 -0.129 3.654 -0.756 674 HD23 LEU 85 HD23 LEU 85 -1.353 4.683 -0.012 675 H MET 86 HN MET 86 -4.446 6.700 -2.067 676 HA MET 86 HA MET 86 -5.436 4.093 -2.396 677 HB2 MET 86 HB2 MET 86 -5.999 6.055 -0.674 678 HB3 MET 86 HB1 MET 86 -7.364 6.251 -1.762 679 HG2 MET 86 HG2 MET 86 -8.032 4.835 0.017 680 HG3 MET 86 HG1 MET 86 -7.894 3.852 -1.440 681 HE1 MET 86 HE1 MET 86 -4.519 3.954 1.699 682 HE2 MET 86 HE2 MET 86 -5.861 5.096 1.688 683 HE3 MET 86 HE3 MET 86 -4.673 5.116 0.384 684 H ALA 87 HN ALA 87 -6.582 7.127 -3.867 685 HA ALA 87 HA ALA 87 -8.647 6.076 -5.403 686 HB1 ALA 87 HB1 ALA 87 -6.881 8.313 -6.350 687 HB2 ALA 87 HB2 ALA 87 -8.023 8.514 -5.017 688 HB3 ALA 87 HB3 ALA 87 -8.608 8.080 -6.627 689 H ALA 88 HN ALA 88 -5.208 5.847 -5.831 690 HA ALA 88 HA ALA 88 -5.321 5.110 -8.610 691 HB1 ALA 88 HB1 ALA 88 -3.336 6.200 -7.652 692 HB2 ALA 88 HB2 ALA 88 -2.947 4.640 -8.374 693 HB3 ALA 88 HB3 ALA 88 -3.071 4.793 -6.622 694 H GLY 89 HN GLY 89 -4.399 3.341 -5.645 695 HA2 GLY 89 HA2 GLY 89 -4.275 0.790 -6.680 696 HA3 GLY 89 HA1 GLY 89 -4.770 1.159 -5.033 697 H ASP 90 HN ASP 90 -7.108 2.495 -5.454 698 HA ASP 90 HA ASP 90 -8.860 0.339 -6.298 699 HB2 ASP 90 HB2 ASP 90 -10.661 1.687 -5.268 700 HB3 ASP 90 HB1 ASP 90 -9.346 1.338 -4.149 701 H LYS 91 HN LYS 91 -7.469 1.552 -8.363 702 HA LYS 91 HA LYS 91 -8.148 3.593 -9.836 703 HB2 LYS 91 HB2 LYS 91 -6.719 1.615 -10.378 704 HB3 LYS 91 HB1 LYS 91 -8.178 0.783 -10.889 705 HG2 LYS 91 HG2 LYS 91 -7.149 3.331 -12.097 706 HG3 LYS 91 HG1 LYS 91 -6.874 1.705 -12.705 707 HD2 LYS 91 HD2 LYS 91 -9.525 1.636 -12.474 708 HD3 LYS 91 HD1 LYS 91 -9.306 3.359 -12.789 709 HE2 LYS 91 HE2 LYS 91 -8.223 1.126 -14.504 710 HE3 LYS 91 HE1 LYS 91 -9.670 2.070 -14.857 711 HZ1 LYS 91 HZ1 LYS 91 -7.745 2.892 -16.067 712 HZ2 LYS 91 HZ2 LYS 91 -6.921 3.167 -14.617 713 HZ3 LYS 91 HZ3 LYS 91 -8.312 4.057 -14.980 714 H ASP 92 HN ASP 92 -10.322 0.852 -9.368 715 HA ASP 92 HA ASP 92 -12.218 1.438 -11.296 716 HB2 ASP 92 HB2 ASP 92 -12.741 0.377 -8.510 717 HB3 ASP 92 HB1 ASP 92 -13.851 0.265 -9.873 718 H GLY 93 HN GLY 93 -11.444 3.200 -8.446 719 HA2 GLY 93 HA2 GLY 93 -12.031 5.409 -8.027 720 HA3 GLY 93 HA1 GLY 93 -13.350 5.256 -9.183 721 H ASP 94 HN ASP 94 -12.508 3.472 -6.200 722 HA ASP 94 HA ASP 94 -15.217 4.103 -5.239 723 HB2 ASP 94 HB2 ASP 94 -14.799 2.025 -3.752 724 HB3 ASP 94 HB1 ASP 94 -15.186 1.783 -5.452 725 H GLY 95 HN GLY 95 -11.930 4.704 -4.693 726 HA2 GLY 95 HA2 GLY 95 -11.041 6.160 -3.109 727 HA3 GLY 95 HA1 GLY 95 -12.583 6.128 -2.280 728 H LYS 96 HN LYS 96 -12.202 3.044 -2.445 729 HA LYS 96 HA LYS 96 -10.476 2.873 -0.070 730 HB2 LYS 96 HB2 LYS 96 -12.908 1.155 -0.576 731 HB3 LYS 96 HB1 LYS 96 -11.984 1.292 0.908 732 HG2 LYS 96 HG2 LYS 96 -12.709 3.619 1.149 733 HG3 LYS 96 HG1 LYS 96 -13.658 3.464 -0.330 734 HD2 LYS 96 HD2 LYS 96 -14.956 1.651 0.743 735 HD3 LYS 96 HD1 LYS 96 -14.050 1.923 2.234 736 HE2 LYS 96 HE2 LYS 96 -14.857 4.272 2.230 737 HE3 LYS 96 HE1 LYS 96 -15.851 3.891 0.824 738 HZ1 LYS 96 HZ1 LYS 96 -17.052 2.274 2.132 739 HZ2 LYS 96 HZ2 LYS 96 -17.105 3.779 2.900 740 HZ3 LYS 96 HZ3 LYS 96 -16.071 2.572 3.477 741 H ILE 97 HN ILE 97 -9.092 1.156 0.121 742 HA ILE 97 HA ILE 97 -8.815 -0.537 -2.269 743 HB ILE 97 HB ILE 97 -6.786 0.266 -0.174 744 HG12 ILE 97 HG12 ILE 97 -7.000 0.738 -3.152 745 HG13 ILE 97 HG11 ILE 97 -7.113 1.946 -1.877 746 HG21 ILE 97 HG21 ILE 97 -5.145 -1.082 -1.445 747 HG22 ILE 97 HG22 ILE 97 -6.469 -1.744 -2.403 748 HG23 ILE 97 HG23 ILE 97 -6.389 -2.064 -0.671 749 HD11 ILE 97 HD11 ILE 97 -4.944 1.907 -3.107 750 HD12 ILE 97 HD12 ILE 97 -4.643 0.312 -2.407 751 HD13 ILE 97 HD13 ILE 97 -4.801 1.722 -1.359 752 H GLY 98 HN GLY 98 -8.775 -2.726 -2.118 753 HA2 GLY 98 HA2 GLY 98 -8.860 -3.977 0.523 754 HA3 GLY 98 HA1 GLY 98 -10.244 -4.221 -0.532 755 H VAL 99 HN VAL 99 -9.447 -6.489 -0.060 756 HA VAL 99 HA VAL 99 -7.141 -7.621 -1.019 757 HB VAL 99 HB VAL 99 -9.960 -8.679 -0.908 758 HG11 VAL 99 HG11 VAL 99 -7.502 -10.166 -1.807 759 HG12 VAL 99 HG12 VAL 99 -9.024 -9.950 -2.671 760 HG13 VAL 99 HG13 VAL 99 -8.969 -10.959 -1.227 761 HG21 VAL 99 HG21 VAL 99 -8.894 -8.309 1.215 762 HG22 VAL 99 HG22 VAL 99 -7.476 -9.223 0.699 763 HG23 VAL 99 HG23 VAL 99 -9.022 -10.043 0.917 764 H GLU 100 HN GLU 100 -10.185 -7.487 -2.857 765 HA GLU 100 HA GLU 100 -9.208 -8.345 -5.291 766 HB2 GLU 100 HB2 GLU 100 -11.180 -7.142 -6.282 767 HB3 GLU 100 HB1 GLU 100 -11.547 -8.245 -4.968 768 HG2 GLU 100 HG2 GLU 100 -11.519 -6.305 -3.437 769 HG3 GLU 100 HG1 GLU 100 -11.423 -5.261 -4.852 770 H GLU 101 HN GLU 101 -9.626 -4.989 -4.208 771 HA GLU 101 HA GLU 101 -8.639 -3.814 -6.564 772 HB2 GLU 101 HB2 GLU 101 -9.493 -2.994 -3.900 773 HB3 GLU 101 HB1 GLU 101 -8.252 -1.950 -4.578 774 HG2 GLU 101 HG2 GLU 101 -10.439 -1.094 -5.108 775 HG3 GLU 101 HG1 GLU 101 -9.637 -1.638 -6.581 776 H PHE 102 HN PHE 102 -7.047 -5.035 -3.697 777 HA PHE 102 HA PHE 102 -4.639 -3.669 -3.845 778 HD1 PHE 102 HD2 PHE 102 -5.117 -3.500 -1.084 779 HD2 PHE 102 HD1 PHE 102 -2.089 -6.101 -2.510 780 HE1 PHE 102 HE2 PHE 102 -3.492 -2.416 0.414 781 HE2 PHE 102 HE1 PHE 102 -0.446 -5.033 -1.018 782 HZ PHE 102 HZ PHE 102 -1.151 -3.182 0.446 783 HB2 PHE 102 HB2 PHE 102 -5.595 -5.703 -2.276 784 HB3 PHE 102 HB1 PHE 102 -4.273 -6.474 -3.142 785 H SER 103 HN SER 103 -5.907 -6.069 -5.956 786 HA SER 103 HA SER 103 -3.405 -6.832 -7.110 787 HG SER 103 HG SER 103 -5.885 -9.280 -7.560 788 HB2 SER 103 HB2 SER 103 -6.213 -7.050 -8.230 789 HB3 SER 103 HB1 SER 103 -4.785 -7.845 -8.892 790 H THR 104 HN THR 104 -5.947 -4.505 -7.909 791 HA THR 104 HA THR 104 -4.906 -3.625 -10.360 792 HB THR 104 HB THR 104 -6.530 -1.997 -8.394 793 HG1 THR 104 HG1 THR 104 -7.433 -4.090 -9.119 794 HG21 THR 104 HG21 THR 104 -7.325 -0.920 -10.570 795 HG22 THR 104 HG22 THR 104 -5.936 -1.701 -11.331 796 HG23 THR 104 HG23 THR 104 -5.687 -0.526 -10.042 797 H LEU 105 HN LEU 105 -4.318 -2.460 -7.048 798 HA LEU 105 HA LEU 105 -2.858 -0.185 -7.673 799 HG LEU 105 HG LEU 105 -3.456 -2.921 -5.356 800 HB2 LEU 105 HB2 LEU 105 -1.480 -1.278 -5.483 801 HB3 LEU 105 HB1 LEU 105 -2.708 -0.046 -5.461 802 HD11 LEU 105 HD11 LEU 105 -3.602 -2.208 -2.790 803 HD12 LEU 105 HD12 LEU 105 -2.203 -1.250 -3.271 804 HD13 LEU 105 HD13 LEU 105 -2.187 -3.002 -3.481 805 HD21 LEU 105 HD21 LEU 105 -5.481 -2.116 -4.444 806 HD22 LEU 105 HD22 LEU 105 -5.107 -1.057 -5.794 807 HD23 LEU 105 HD23 LEU 105 -4.791 -0.525 -4.149 808 H VAL 106 HN VAL 106 -1.938 -3.527 -7.947 809 HA VAL 106 HA VAL 106 0.871 -3.101 -8.109 810 HB VAL 106 HB VAL 106 -0.736 -5.366 -9.303 811 HG11 VAL 106 HG11 VAL 106 1.384 -6.607 -9.169 812 HG12 VAL 106 HG12 VAL 106 2.195 -5.139 -8.625 813 HG13 VAL 106 HG13 VAL 106 1.497 -5.213 -10.242 814 HG21 VAL 106 HG21 VAL 106 -1.144 -5.172 -6.909 815 HG22 VAL 106 HG22 VAL 106 0.592 -5.141 -6.601 816 HG23 VAL 106 HG23 VAL 106 -0.162 -6.595 -7.256 817 H ALA 107 HN ALA 107 -1.749 -3.169 -10.451 818 HA ALA 107 HA ALA 107 0.001 -2.861 -12.719 819 HB1 ALA 107 HB1 ALA 107 -2.029 -2.741 -14.028 820 HB2 ALA 107 HB2 ALA 107 -2.995 -2.543 -12.567 821 HB3 ALA 107 HB3 ALA 107 -2.152 -4.063 -12.867 822 H GLU 108 HN GLU 108 -1.613 -0.794 -10.478 823 HA GLU 108 HA GLU 108 -1.840 1.547 -12.023 824 HB2 GLU 108 HB2 GLU 108 -1.628 1.029 -9.079 825 HB3 GLU 108 HB1 GLU 108 -1.712 2.668 -9.711 826 HG2 GLU 108 HG2 GLU 108 -3.751 0.647 -10.502 827 HG3 GLU 108 HG1 GLU 108 -3.883 1.488 -8.958 828 H SER 109 HN SER 109 0.434 1.058 -9.343 829 HA SER 109 HA SER 109 2.139 3.139 -9.896 830 HG SER 109 HG SER 109 4.514 2.429 -9.069 831 HB2 SER 109 HB2 SER 109 2.502 2.137 -7.840 832 HB3 SER 109 HB1 SER 109 2.511 0.509 -8.511 Start of MODEL 5 1 HA SER 1 HA SER 1 5.727 -6.960 8.223 2 HG SER 1 HG SER 1 5.697 -8.560 11.084 3 H1 SER 1 HT1 SER 1 3.551 -6.799 7.215 4 H2 SER 1 HT2 SER 1 3.429 -7.044 8.884 5 H3 SER 1 HT3 SER 1 3.134 -8.323 7.819 6 HB2 SER 1 HB2 SER 1 4.800 -9.735 9.005 7 HB3 SER 1 HB1 SER 1 6.444 -9.122 9.186 8 H MET 2 HN MET 2 5.023 -6.812 5.733 9 HA MET 2 HA MET 2 5.397 -9.119 4.129 10 HB2 MET 2 HB2 MET 2 5.111 -6.223 3.713 11 HB3 MET 2 HB1 MET 2 6.076 -7.030 2.497 12 HG2 MET 2 HG2 MET 2 4.267 -8.498 1.927 13 HG3 MET 2 HG1 MET 2 3.308 -7.891 3.280 14 HE1 MET 2 HE1 MET 2 3.207 -5.128 3.489 15 HE2 MET 2 HE2 MET 2 2.887 -4.109 2.089 16 HE3 MET 2 HE3 MET 2 4.542 -4.573 2.480 17 H THR 3 HN THR 3 7.372 -9.699 5.581 18 HA THR 3 HA THR 3 9.830 -8.465 4.560 19 HB THR 3 HB THR 3 9.488 -10.414 6.847 20 HG1 THR 3 HG1 THR 3 8.913 -8.673 7.896 21 HG21 THR 3 HG21 THR 3 11.870 -8.778 5.971 22 HG22 THR 3 HG22 THR 3 11.709 -10.528 5.839 23 HG23 THR 3 HG23 THR 3 11.788 -9.767 7.427 24 H ASP 4 HN ASP 4 8.099 -11.512 4.717 25 HA ASP 4 HA ASP 4 10.241 -12.924 3.338 26 HB2 ASP 4 HB2 ASP 4 7.532 -13.899 4.276 27 HB3 ASP 4 HB1 ASP 4 8.813 -14.912 3.615 28 H LEU 5 HN LEU 5 7.266 -11.330 2.646 29 HA LEU 5 HA LEU 5 6.857 -12.645 0.104 30 HG LEU 5 HG LEU 5 5.271 -12.161 2.726 31 HB2 LEU 5 HB2 LEU 5 5.485 -10.189 1.161 32 HB3 LEU 5 HB1 LEU 5 4.939 -11.251 -0.123 33 HD11 LEU 5 HD11 LEU 5 2.866 -11.096 1.285 34 HD12 LEU 5 HD12 LEU 5 3.611 -10.462 2.752 35 HD13 LEU 5 HD13 LEU 5 2.791 -12.020 2.782 36 HD21 LEU 5 HD21 LEU 5 5.305 -14.028 1.335 37 HD22 LEU 5 HD22 LEU 5 4.137 -13.325 0.219 38 HD23 LEU 5 HD23 LEU 5 3.609 -13.891 1.805 39 H LEU 6 HN LEU 6 7.248 -9.245 1.036 40 HA LEU 6 HA LEU 6 8.269 -8.603 -1.605 41 HG LEU 6 HG LEU 6 5.707 -7.105 0.647 42 HB2 LEU 6 HB2 LEU 6 7.925 -6.742 0.721 43 HB3 LEU 6 HB1 LEU 6 8.018 -6.336 -0.978 44 HD11 LEU 6 HD11 LEU 6 4.599 -5.857 -1.232 45 HD12 LEU 6 HD12 LEU 6 6.219 -5.595 -1.878 46 HD13 LEU 6 HD13 LEU 6 5.787 -4.958 -0.289 47 HD21 LEU 6 HD21 LEU 6 4.731 -7.891 -1.762 48 HD22 LEU 6 HD22 LEU 6 5.151 -8.964 -0.430 49 HD23 LEU 6 HD23 LEU 6 6.303 -8.690 -1.741 50 H SER 7 HN SER 7 10.187 -6.948 -1.566 51 HA SER 7 HA SER 7 12.379 -8.324 -0.347 52 HG SER 7 HG SER 7 11.492 -6.586 -3.169 53 HB2 SER 7 HB2 SER 7 12.639 -5.613 -1.602 54 HB3 SER 7 HB1 SER 7 13.790 -6.944 -1.598 55 H ALA 8 HN ALA 8 12.772 -8.103 1.770 56 HA ALA 8 HA ALA 8 11.812 -6.078 3.422 57 HB1 ALA 8 HB1 ALA 8 13.326 -6.941 5.115 58 HB2 ALA 8 HB2 ALA 8 14.229 -7.819 3.880 59 HB3 ALA 8 HB3 ALA 8 12.560 -8.265 4.233 60 H GLU 9 HN GLU 9 14.837 -6.326 1.654 61 HA GLU 9 HA GLU 9 16.116 -4.114 2.887 62 HB2 GLU 9 HB2 GLU 9 17.696 -4.252 1.012 63 HB3 GLU 9 HB1 GLU 9 17.381 -5.834 1.710 64 HG2 GLU 9 HG2 GLU 9 15.782 -6.277 -0.122 65 HG3 GLU 9 HG1 GLU 9 16.230 -4.730 -0.841 66 H ASP 10 HN ASP 10 14.251 -4.466 -0.112 67 HA ASP 10 HA ASP 10 14.588 -1.847 -1.074 68 HB2 ASP 10 HB2 ASP 10 12.272 -3.744 -1.417 69 HB3 ASP 10 HB1 ASP 10 12.568 -2.313 -2.400 70 H ILE 11 HN ILE 11 11.905 -3.276 0.750 71 HA ILE 11 HA ILE 11 10.291 -1.026 0.975 72 HB ILE 11 HB ILE 11 10.669 -3.283 2.934 73 HG12 ILE 11 HG12 ILE 11 8.269 -3.301 1.296 74 HG13 ILE 11 HG11 ILE 11 9.741 -3.388 0.331 75 HG21 ILE 11 HG21 ILE 11 8.548 -2.721 3.874 76 HG22 ILE 11 HG22 ILE 11 8.249 -1.513 2.622 77 HG23 ILE 11 HG23 ILE 11 9.502 -1.237 3.834 78 HD11 ILE 11 HD11 ILE 11 9.476 -5.590 0.701 79 HD12 ILE 11 HD12 ILE 11 8.553 -5.344 2.182 80 HD13 ILE 11 HD13 ILE 11 10.311 -5.212 2.208 81 H LYS 12 HN LYS 12 12.744 -2.218 3.283 82 HA LYS 12 HA LYS 12 12.476 -0.156 5.151 83 HB2 LYS 12 HB2 LYS 12 13.731 -2.271 5.519 84 HB3 LYS 12 HB1 LYS 12 14.997 -1.675 4.455 85 HG2 LYS 12 HG2 LYS 12 14.190 -0.056 6.824 86 HG3 LYS 12 HG1 LYS 12 15.228 -1.464 7.039 87 HD2 LYS 12 HD2 LYS 12 16.753 -0.494 5.302 88 HD3 LYS 12 HD1 LYS 12 15.764 0.968 5.337 89 HE2 LYS 12 HE2 LYS 12 16.255 1.263 7.702 90 HE3 LYS 12 HE1 LYS 12 17.199 -0.226 7.707 91 HZ1 LYS 12 HZ1 LYS 12 18.613 1.728 7.544 92 HZ2 LYS 12 HZ2 LYS 12 17.829 2.208 6.124 93 HZ3 LYS 12 HZ3 LYS 12 18.739 0.782 6.146 94 H LYS 13 HN LYS 13 14.714 -0.461 2.412 95 HA LYS 13 HA LYS 13 16.025 2.005 2.749 96 HB2 LYS 13 HB2 LYS 13 15.544 0.389 0.244 97 HB3 LYS 13 HB1 LYS 13 16.691 1.716 0.382 98 HG2 LYS 13 HG2 LYS 13 18.116 0.519 1.753 99 HG3 LYS 13 HG1 LYS 13 16.866 -0.634 2.219 100 HD2 LYS 13 HD2 LYS 13 16.858 -1.553 -0.050 101 HD3 LYS 13 HD1 LYS 13 18.104 -0.391 -0.524 102 HE2 LYS 13 HE2 LYS 13 19.634 -1.369 1.121 103 HE3 LYS 13 HE1 LYS 13 18.391 -2.532 1.582 104 HZ1 LYS 13 HZ1 LYS 13 19.648 -2.302 -1.099 105 HZ2 LYS 13 HZ2 LYS 13 18.436 -3.405 -0.679 106 HZ3 LYS 13 HZ3 LYS 13 19.960 -3.510 0.043 107 H ALA 14 HN ALA 14 13.350 1.067 0.636 108 HA ALA 14 HA ALA 14 12.954 3.603 -0.525 109 HB1 ALA 14 HB1 ALA 14 10.858 1.466 -0.251 110 HB2 ALA 14 HB2 ALA 14 12.191 1.364 -1.404 111 HB3 ALA 14 HB3 ALA 14 11.025 2.682 -1.520 112 H ILE 15 HN ILE 15 11.146 1.926 2.051 113 HA ILE 15 HA ILE 15 9.268 3.889 2.528 114 HB ILE 15 HB ILE 15 10.391 1.765 4.289 115 HG12 ILE 15 HG12 ILE 15 7.893 2.335 2.730 116 HG13 ILE 15 HG11 ILE 15 9.062 1.059 2.471 117 HG21 ILE 15 HG21 ILE 15 8.731 2.231 5.962 118 HG22 ILE 15 HG22 ILE 15 8.061 3.548 5.006 119 HG23 ILE 15 HG23 ILE 15 9.664 3.708 5.723 120 HD11 ILE 15 HD11 ILE 15 7.291 -0.060 3.435 121 HD12 ILE 15 HD12 ILE 15 6.905 1.302 4.479 122 HD13 ILE 15 HD13 ILE 15 8.301 0.286 4.841 123 H GLY 16 HN GLY 16 12.570 3.614 3.711 124 HA2 GLY 16 HA2 GLY 16 12.242 5.946 5.439 125 HA3 GLY 16 HA1 GLY 16 13.669 4.931 5.328 126 H ALA 17 HN ALA 17 14.179 5.018 2.607 127 HA ALA 17 HA ALA 17 15.592 7.437 2.380 128 HB1 ALA 17 HB1 ALA 17 16.173 6.706 0.151 129 HB2 ALA 17 HB2 ALA 17 14.871 5.515 0.172 130 HB3 ALA 17 HB3 ALA 17 16.246 5.341 1.266 131 H PHE 18 HN PHE 18 12.334 6.652 1.583 132 HA PHE 18 HA PHE 18 12.071 8.859 -0.292 133 HD1 PHE 18 HD2 PHE 18 12.150 8.187 -2.057 134 HD2 PHE 18 HD1 PHE 18 9.542 5.068 -0.799 135 HE1 PHE 18 HE2 PHE 18 12.690 6.921 -4.090 136 HE2 PHE 18 HE1 PHE 18 10.068 3.803 -2.835 137 HZ PHE 18 HZ PHE 18 11.649 4.726 -4.484 138 HB2 PHE 18 HB2 PHE 18 10.157 6.766 0.709 139 HB3 PHE 18 HB1 PHE 18 9.630 8.123 -0.272 140 H THR 19 HN THR 19 12.224 10.771 0.757 141 HA THR 19 HA THR 19 10.657 11.214 3.173 142 HB THR 19 HB THR 19 12.950 12.106 3.096 143 HG1 THR 19 HG1 THR 19 12.349 14.270 3.727 144 HG21 THR 19 HG21 THR 19 13.558 13.922 1.635 145 HG22 THR 19 HG22 THR 19 11.935 13.968 0.947 146 HG23 THR 19 HG23 THR 19 12.981 12.578 0.648 147 H ALA 20 HN ALA 20 10.939 12.520 -0.107 148 HA ALA 20 HA ALA 20 8.419 13.966 0.195 149 HB1 ALA 20 HB1 ALA 20 9.050 15.158 -1.829 150 HB2 ALA 20 HB2 ALA 20 10.484 14.144 -1.990 151 HB3 ALA 20 HB3 ALA 20 10.332 15.244 -0.621 152 H ALA 21 HN ALA 21 10.015 11.906 -2.258 153 HA ALA 21 HA ALA 21 8.012 11.524 -4.041 154 HB1 ALA 21 HB1 ALA 21 8.979 9.366 -4.581 155 HB2 ALA 21 HB2 ALA 21 9.827 9.343 -3.035 156 HB3 ALA 21 HB3 ALA 21 10.247 10.546 -4.254 157 H ASP 22 HN ASP 22 8.550 9.179 -1.448 158 HA ASP 22 HA ASP 22 6.048 7.915 -1.692 159 HB2 ASP 22 HB2 ASP 22 7.960 6.862 -0.566 160 HB3 ASP 22 HB1 ASP 22 7.890 8.076 0.706 161 H SER 23 HN SER 23 6.972 10.885 -0.258 162 HA SER 23 HA SER 23 4.941 11.134 1.675 163 HG SER 23 HG SER 23 6.467 14.029 2.552 164 HB2 SER 23 HB2 SER 23 7.166 12.569 0.936 165 HB3 SER 23 HB1 SER 23 5.857 13.597 0.361 166 H PHE 24 HN PHE 24 5.246 12.408 -1.638 167 HA PHE 24 HA PHE 24 2.412 13.104 -1.621 168 HD1 PHE 24 HD1 PHE 24 3.582 12.881 -5.483 169 HD2 PHE 24 HD2 PHE 24 6.348 14.514 -2.692 170 HE1 PHE 24 HE1 PHE 24 5.428 12.394 -7.036 171 HE2 PHE 24 HE2 PHE 24 8.200 14.031 -4.239 172 HZ PHE 24 HZ PHE 24 7.741 12.970 -6.414 173 HB2 PHE 24 HB2 PHE 24 2.879 14.395 -3.621 174 HB3 PHE 24 HB1 PHE 24 4.038 14.801 -2.358 175 H ASP 25 HN ASP 25 4.345 10.506 -2.693 176 HA ASP 25 HA ASP 25 2.104 9.379 -4.085 177 HB2 ASP 25 HB2 ASP 25 3.042 10.926 -5.785 178 HB3 ASP 25 HB1 ASP 25 4.550 10.018 -5.732 179 H HIS 26 HN HIS 26 2.309 7.571 -2.770 180 HA HIS 26 HA HIS 26 4.756 6.123 -2.440 181 HD1 HIS 26 HD1 HIS 26 1.853 7.750 -0.727 182 HD2 HIS 26 HD2 HIS 26 4.108 4.708 0.982 183 HE1 HIS 26 HE1 HIS 26 2.191 8.425 1.676 184 HE2 HIS 26 HE2 HIS 26 3.633 6.614 2.661 185 HB2 HIS 26 HB2 HIS 26 1.879 5.280 -1.982 186 HB3 HIS 26 HB1 HIS 26 3.274 4.310 -1.546 187 H LYS 27 HN LYS 27 2.563 6.340 -5.047 188 HA LYS 27 HA LYS 27 2.341 3.862 -6.097 189 HB2 LYS 27 HB2 LYS 27 2.825 6.497 -7.459 190 HB3 LYS 27 HB1 LYS 27 2.443 5.028 -8.335 191 HG2 LYS 27 HG2 LYS 27 0.515 5.226 -6.319 192 HG3 LYS 27 HG1 LYS 27 0.686 6.848 -6.996 193 HD2 LYS 27 HD2 LYS 27 -0.891 5.954 -8.408 194 HD3 LYS 27 HD1 LYS 27 0.589 5.550 -9.274 195 HE2 LYS 27 HE2 LYS 27 -0.543 3.550 -9.312 196 HE3 LYS 27 HE1 LYS 27 0.497 3.359 -7.905 197 HZ1 LYS 27 HZ1 LYS 27 -1.836 2.666 -7.536 198 HZ2 LYS 27 HZ2 LYS 27 -2.321 4.271 -7.757 199 HZ3 LYS 27 HZ3 LYS 27 -1.310 3.863 -6.463 200 H LYS 28 HN LYS 28 5.092 6.078 -6.694 201 HA LYS 28 HA LYS 28 6.614 4.249 -8.187 202 HB2 LYS 28 HB2 LYS 28 7.308 6.638 -6.501 203 HB3 LYS 28 HB1 LYS 28 8.588 5.640 -7.171 204 HG2 LYS 28 HG2 LYS 28 8.191 7.546 -8.594 205 HG3 LYS 28 HG1 LYS 28 7.733 6.064 -9.430 206 HD2 LYS 28 HD2 LYS 28 5.619 7.483 -7.911 207 HD3 LYS 28 HD1 LYS 28 6.188 8.234 -9.402 208 HE2 LYS 28 HE2 LYS 28 5.749 6.099 -10.584 209 HE3 LYS 28 HE1 LYS 28 5.064 5.452 -9.095 210 HZ1 LYS 28 HZ1 LYS 28 3.325 6.262 -10.529 211 HZ2 LYS 28 HZ2 LYS 28 4.048 7.788 -10.621 212 HZ3 LYS 28 HZ3 LYS 28 3.413 7.242 -9.152 213 H PHE 29 HN PHE 29 6.595 5.035 -4.749 214 HA PHE 29 HA PHE 29 8.498 3.267 -3.825 215 HD1 PHE 29 HD2 PHE 29 9.090 2.738 -1.338 216 HD2 PHE 29 HD1 PHE 29 4.856 3.035 -1.059 217 HE1 PHE 29 HE2 PHE 29 9.106 1.149 0.539 218 HE2 PHE 29 HE1 PHE 29 4.862 1.446 0.819 219 HZ PHE 29 HZ PHE 29 6.989 0.499 1.617 220 HB2 PHE 29 HB2 PHE 29 7.610 4.776 -2.239 221 HB3 PHE 29 HB1 PHE 29 5.955 4.318 -2.597 222 H PHE 30 HN PHE 30 5.207 2.671 -4.841 223 HA PHE 30 HA PHE 30 4.844 0.081 -3.833 224 HD1 PHE 30 HD2 PHE 30 2.206 1.637 -3.276 225 HD2 PHE 30 HD1 PHE 30 2.583 -1.629 -5.972 226 HE1 PHE 30 HE2 PHE 30 0.415 0.449 -2.078 227 HE2 PHE 30 HE1 PHE 30 0.799 -2.822 -4.780 228 HZ PHE 30 HZ PHE 30 -0.291 -1.788 -2.831 229 HB2 PHE 30 HB2 PHE 30 3.389 1.856 -5.411 230 HB3 PHE 30 HB1 PHE 30 3.635 0.449 -6.446 231 H GLN 31 HN GLN 31 6.483 1.264 -6.667 232 HA GLN 31 HA GLN 31 6.924 -1.369 -7.776 233 HB2 GLN 31 HB2 GLN 31 8.315 1.110 -8.686 234 HB3 GLN 31 HB1 GLN 31 7.823 -0.280 -9.633 235 HG2 GLN 31 HG2 GLN 31 5.453 0.428 -9.212 236 HG3 GLN 31 HG1 GLN 31 6.099 1.915 -8.525 237 HE21 GLN 31 HE21 GLN 31 5.182 3.219 -10.077 238 HE22 GLN 31 HE22 GLN 31 5.736 3.260 -11.713 239 H MET 32 HN MET 32 8.822 1.127 -6.160 240 HA MET 32 HA MET 32 11.289 -0.289 -6.286 241 HB2 MET 32 HB2 MET 32 10.529 1.874 -4.345 242 HB3 MET 32 HB1 MET 32 12.149 1.415 -4.857 243 HG2 MET 32 HG2 MET 32 10.028 2.577 -6.633 244 HG3 MET 32 HG1 MET 32 11.359 3.466 -5.911 245 HE1 MET 32 HE1 MET 32 11.551 0.667 -9.519 246 HE2 MET 32 HE2 MET 32 10.164 1.610 -8.978 247 HE3 MET 32 HE3 MET 32 10.692 0.207 -8.051 248 H VAL 33 HN VAL 33 8.657 -0.127 -4.003 249 HA VAL 33 HA VAL 33 9.961 -1.265 -1.777 250 HB VAL 33 HB VAL 33 7.842 -0.002 -1.643 251 HG11 VAL 33 HG11 VAL 33 6.389 -2.463 -2.518 252 HG12 VAL 33 HG12 VAL 33 6.918 -1.272 -3.705 253 HG13 VAL 33 HG13 VAL 33 5.812 -0.801 -2.415 254 HG21 VAL 33 HG21 VAL 33 7.862 -2.790 -0.531 255 HG22 VAL 33 HG22 VAL 33 6.701 -1.551 -0.063 256 HG23 VAL 33 HG23 VAL 33 8.417 -1.308 0.250 257 H GLY 34 HN GLY 34 8.625 -2.642 -4.622 258 HA2 GLY 34 HA2 GLY 34 9.129 -4.839 -5.337 259 HA3 GLY 34 HA1 GLY 34 9.405 -5.295 -3.664 260 H LEU 35 HN LEU 35 6.553 -3.483 -4.139 261 HA LEU 35 HA LEU 35 4.878 -5.595 -3.279 262 HG LEU 35 HG LEU 35 4.504 -3.740 -1.747 263 HB2 LEU 35 HB2 LEU 35 4.507 -2.816 -4.225 264 HB3 LEU 35 HB1 LEU 35 3.123 -3.873 -4.388 265 HD11 LEU 35 HD11 LEU 35 3.586 -1.426 -3.044 266 HD12 LEU 35 HD12 LEU 35 4.014 -1.613 -1.344 267 HD13 LEU 35 HD13 LEU 35 2.347 -1.857 -1.865 268 HD21 LEU 35 HD21 LEU 35 2.807 -5.221 -1.545 269 HD22 LEU 35 HD22 LEU 35 1.899 -4.515 -2.880 270 HD23 LEU 35 HD23 LEU 35 1.859 -3.754 -1.287 271 H LYS 36 HN LYS 36 5.826 -4.308 -6.357 272 HA LYS 36 HA LYS 36 4.025 -6.034 -7.843 273 HB2 LYS 36 HB2 LYS 36 6.122 -4.046 -8.702 274 HB3 LYS 36 HB1 LYS 36 5.135 -4.971 -9.823 275 HG2 LYS 36 HG2 LYS 36 3.345 -3.643 -9.531 276 HG3 LYS 36 HG1 LYS 36 3.623 -3.484 -7.794 277 HD2 LYS 36 HD2 LYS 36 3.875 -1.351 -9.203 278 HD3 LYS 36 HD1 LYS 36 5.174 -1.748 -8.097 279 HE2 LYS 36 HE2 LYS 36 5.910 -0.997 -10.355 280 HE3 LYS 36 HE1 LYS 36 6.536 -2.570 -9.882 281 HZ1 LYS 36 HZ1 LYS 36 4.214 -2.094 -11.672 282 HZ2 LYS 36 HZ2 LYS 36 4.814 -3.610 -11.221 283 HZ3 LYS 36 HZ3 LYS 36 5.759 -2.573 -12.166 284 H LYS 37 HN LYS 37 7.188 -6.133 -6.538 285 HA LYS 37 HA LYS 37 8.825 -7.414 -8.217 286 HB2 LYS 37 HB2 LYS 37 9.389 -6.905 -5.897 287 HB3 LYS 37 HB1 LYS 37 8.361 -8.213 -5.332 288 HG2 LYS 37 HG2 LYS 37 9.790 -9.816 -6.557 289 HG3 LYS 37 HG1 LYS 37 10.857 -8.478 -6.994 290 HD2 LYS 37 HD2 LYS 37 11.242 -8.029 -4.612 291 HD3 LYS 37 HD1 LYS 37 10.207 -9.396 -4.195 292 HE2 LYS 37 HE2 LYS 37 12.567 -10.011 -4.088 293 HE3 LYS 37 HE1 LYS 37 11.731 -10.910 -5.352 294 HZ1 LYS 37 HZ1 LYS 37 12.633 -9.385 -6.990 295 HZ2 LYS 37 HZ2 LYS 37 13.882 -10.101 -6.103 296 HZ3 LYS 37 HZ3 LYS 37 13.423 -8.506 -5.780 297 H LYS 38 HN LYS 38 6.007 -8.902 -6.709 298 HA LYS 38 HA LYS 38 6.531 -11.273 -8.372 299 HB2 LYS 38 HB2 LYS 38 5.223 -11.178 -5.651 300 HB3 LYS 38 HB1 LYS 38 5.318 -12.611 -6.666 301 HG2 LYS 38 HG2 LYS 38 7.708 -12.643 -6.480 302 HG3 LYS 38 HG1 LYS 38 7.700 -11.097 -5.624 303 HD2 LYS 38 HD2 LYS 38 6.202 -12.260 -3.914 304 HD3 LYS 38 HD1 LYS 38 6.703 -13.768 -4.682 305 HE2 LYS 38 HE2 LYS 38 9.039 -13.241 -4.228 306 HE3 LYS 38 HE1 LYS 38 8.561 -11.713 -3.488 307 HZ1 LYS 38 HZ1 LYS 38 8.993 -13.417 -1.827 308 HZ2 LYS 38 HZ2 LYS 38 7.807 -14.415 -2.506 309 HZ3 LYS 38 HZ3 LYS 38 7.367 -12.945 -1.792 310 H SER 39 HN SER 39 3.557 -11.003 -6.550 311 HA SER 39 HA SER 39 2.123 -9.958 -8.855 312 HG SER 39 HG SER 39 2.143 -12.037 -10.367 313 HB2 SER 39 HB2 SER 39 1.562 -12.690 -7.679 314 HB3 SER 39 HB1 SER 39 0.536 -11.866 -8.854 315 H ALA 40 HN ALA 40 -0.378 -10.065 -8.244 316 HA ALA 40 HA ALA 40 -0.702 -8.387 -6.002 317 HB1 ALA 40 HB1 ALA 40 -3.005 -9.886 -7.156 318 HB2 ALA 40 HB2 ALA 40 -2.144 -8.723 -8.162 319 HB3 ALA 40 HB3 ALA 40 -2.896 -8.198 -6.653 320 H ASP 41 HN ASP 41 -0.907 -11.844 -6.422 321 HA ASP 41 HA ASP 41 -2.409 -12.464 -4.119 322 HB2 ASP 41 HB2 ASP 41 -1.473 -14.735 -4.353 323 HB3 ASP 41 HB1 ASP 41 -2.058 -14.102 -5.888 324 H ASP 42 HN ASP 42 1.121 -12.375 -4.633 325 HA ASP 42 HA ASP 42 1.905 -13.100 -2.065 326 HB2 ASP 42 HB2 ASP 42 3.266 -11.158 -3.948 327 HB3 ASP 42 HB1 ASP 42 4.025 -11.936 -2.563 328 H VAL 43 HN VAL 43 1.434 -9.831 -3.386 329 HA VAL 43 HA VAL 43 1.880 -8.427 -0.999 330 HB VAL 43 HB VAL 43 0.635 -6.568 -2.071 331 HG11 VAL 43 HG11 VAL 43 2.590 -8.021 -3.852 332 HG12 VAL 43 HG12 VAL 43 2.980 -6.844 -2.599 333 HG13 VAL 43 HG13 VAL 43 2.108 -6.336 -4.044 334 HG21 VAL 43 HG21 VAL 43 0.083 -8.601 -4.230 335 HG22 VAL 43 HG22 VAL 43 -0.247 -6.872 -4.346 336 HG23 VAL 43 HG23 VAL 43 -1.110 -7.858 -3.165 337 H LYS 44 HN LYS 44 -0.960 -9.947 -2.344 338 HA LYS 44 HA LYS 44 -3.019 -8.897 -0.860 339 HB2 LYS 44 HB2 LYS 44 -2.714 -10.999 -2.602 340 HB3 LYS 44 HB1 LYS 44 -3.159 -11.809 -1.114 341 HG2 LYS 44 HG2 LYS 44 -5.165 -10.451 -0.940 342 HG3 LYS 44 HG1 LYS 44 -4.731 -9.599 -2.412 343 HD2 LYS 44 HD2 LYS 44 -6.280 -11.197 -3.115 344 HD3 LYS 44 HD1 LYS 44 -4.713 -11.904 -3.523 345 HE2 LYS 44 HE2 LYS 44 -4.763 -13.336 -1.654 346 HE3 LYS 44 HE1 LYS 44 -6.100 -12.443 -0.933 347 HZ1 LYS 44 HZ1 LYS 44 -7.542 -13.231 -2.702 348 HZ2 LYS 44 HZ2 LYS 44 -6.835 -14.540 -1.899 349 HZ3 LYS 44 HZ3 LYS 44 -6.255 -14.069 -3.416 350 H LYS 45 HN LYS 45 -0.510 -11.049 0.179 351 HA LYS 45 HA LYS 45 -1.740 -12.221 2.402 352 HB2 LYS 45 HB2 LYS 45 0.971 -11.905 1.396 353 HB3 LYS 45 HB1 LYS 45 0.903 -11.868 3.152 354 HG2 LYS 45 HG2 LYS 45 1.301 -14.107 2.481 355 HG3 LYS 45 HG1 LYS 45 -0.354 -14.014 3.079 356 HD2 LYS 45 HD2 LYS 45 0.278 -13.751 0.156 357 HD3 LYS 45 HD1 LYS 45 0.081 -15.330 0.917 358 HE2 LYS 45 HE2 LYS 45 -1.954 -13.121 0.693 359 HE3 LYS 45 HE1 LYS 45 -2.015 -14.723 -0.034 360 HZ1 LYS 45 HZ1 LYS 45 -2.054 -15.623 2.281 361 HZ2 LYS 45 HZ2 LYS 45 -3.434 -14.754 1.834 362 HZ3 LYS 45 HZ3 LYS 45 -2.276 -14.041 2.838 363 H VAL 46 HN VAL 46 0.245 -9.275 2.158 364 HA VAL 46 HA VAL 46 0.136 -8.561 4.849 365 HB VAL 46 HB VAL 46 1.479 -7.460 2.896 366 HG11 VAL 46 HG11 VAL 46 0.612 -5.488 1.925 367 HG12 VAL 46 HG12 VAL 46 -0.815 -5.519 2.962 368 HG13 VAL 46 HG13 VAL 46 -0.623 -6.728 1.696 369 HG21 VAL 46 HG21 VAL 46 1.445 -5.250 4.258 370 HG22 VAL 46 HG22 VAL 46 2.001 -6.738 5.022 371 HG23 VAL 46 HG23 VAL 46 0.372 -6.141 5.336 372 H PHE 47 HN PHE 47 -2.261 -8.364 2.353 373 HA PHE 47 HA PHE 47 -3.936 -6.402 3.270 374 HD1 PHE 47 HD1 PHE 47 -5.574 -5.379 2.226 375 HD2 PHE 47 HD2 PHE 47 -7.102 -9.344 2.046 376 HE1 PHE 47 HE1 PHE 47 -7.870 -4.495 2.276 377 HE2 PHE 47 HE2 PHE 47 -9.399 -8.465 2.096 378 HZ PHE 47 HZ PHE 47 -9.783 -6.038 2.212 379 HB2 PHE 47 HB2 PHE 47 -4.318 -7.669 1.181 380 HB3 PHE 47 HB1 PHE 47 -4.849 -9.032 2.162 381 H HIS 48 HN HIS 48 -3.902 -9.815 4.240 382 HA HIS 48 HA HIS 48 -6.082 -9.545 6.038 383 HD1 HIS 48 HD1 HIS 48 -7.430 -12.552 6.514 384 HD2 HIS 48 HD2 HIS 48 -3.964 -11.983 8.736 385 HE1 HIS 48 HE1 HIS 48 -7.899 -13.573 8.765 386 HE2 HIS 48 HE2 HIS 48 -5.788 -13.212 10.095 387 HB2 HIS 48 HB2 HIS 48 -5.488 -11.727 5.124 388 HB3 HIS 48 HB1 HIS 48 -3.906 -11.648 5.894 389 H ILE 49 HN ILE 49 -2.679 -9.011 6.238 390 HA ILE 49 HA ILE 49 -2.407 -9.027 9.059 391 HB ILE 49 HB ILE 49 -0.785 -7.538 6.997 392 HG12 ILE 49 HG12 ILE 49 -0.683 -10.364 8.043 393 HG13 ILE 49 HG11 ILE 49 -0.681 -9.808 6.373 394 HG21 ILE 49 HG21 ILE 49 -0.147 -8.329 9.842 395 HG22 ILE 49 HG22 ILE 49 -0.415 -6.693 9.242 396 HG23 ILE 49 HG23 ILE 49 0.995 -7.610 8.706 397 HD11 ILE 49 HD11 ILE 49 1.485 -10.688 7.034 398 HD12 ILE 49 HD12 ILE 49 1.572 -9.496 8.332 399 HD13 ILE 49 HD13 ILE 49 1.585 -8.969 6.648 400 H LEU 50 HN LEU 50 -2.792 -6.445 6.668 401 HA LEU 50 HA LEU 50 -3.125 -4.442 8.716 402 HG LEU 50 HG LEU 50 -3.423 -5.364 5.173 403 HB2 LEU 50 HB2 LEU 50 -3.134 -2.907 6.842 404 HB3 LEU 50 HB1 LEU 50 -1.798 -4.029 6.741 405 HD11 LEU 50 HD11 LEU 50 -4.470 -2.548 4.987 406 HD12 LEU 50 HD12 LEU 50 -5.371 -3.989 5.454 407 HD13 LEU 50 HD13 LEU 50 -4.777 -3.818 3.805 408 HD21 LEU 50 HD21 LEU 50 -2.443 -4.213 3.262 409 HD22 LEU 50 HD22 LEU 50 -1.249 -4.445 4.539 410 HD23 LEU 50 HD23 LEU 50 -1.987 -2.861 4.299 411 H ASP 51 HN ASP 51 -5.180 -6.318 6.600 412 HA ASP 51 HA ASP 51 -7.458 -4.548 7.011 413 HB2 ASP 51 HB2 ASP 51 -6.919 -5.802 4.833 414 HB3 ASP 51 HB1 ASP 51 -7.538 -7.231 5.651 415 H LYS 52 HN LYS 52 -6.055 -6.928 8.837 416 HA LYS 52 HA LYS 52 -7.986 -8.688 9.617 417 HB2 LYS 52 HB2 LYS 52 -6.859 -8.799 11.781 418 HB3 LYS 52 HB1 LYS 52 -5.696 -8.718 10.467 419 HG2 LYS 52 HG2 LYS 52 -5.165 -6.476 10.929 420 HG3 LYS 52 HG1 LYS 52 -6.544 -6.301 12.016 421 HD2 LYS 52 HD2 LYS 52 -5.557 -7.725 13.636 422 HD3 LYS 52 HD1 LYS 52 -4.287 -8.226 12.516 423 HE2 LYS 52 HE2 LYS 52 -3.330 -6.022 12.535 424 HE3 LYS 52 HE1 LYS 52 -4.672 -5.408 13.497 425 HZ1 LYS 52 HZ1 LYS 52 -3.980 -6.811 15.325 426 HZ2 LYS 52 HZ2 LYS 52 -2.697 -5.821 14.842 427 HZ3 LYS 52 HZ3 LYS 52 -2.717 -7.453 14.398 428 H ASP 53 HN ASP 53 -7.676 -5.308 10.604 429 HA ASP 53 HA ASP 53 -10.191 -5.581 12.110 430 HB2 ASP 53 HB2 ASP 53 -8.036 -3.472 12.351 431 HB3 ASP 53 HB1 ASP 53 -9.527 -3.510 13.287 432 H LYS 54 HN LYS 54 -9.869 -5.191 9.174 433 HA LYS 54 HA LYS 54 -11.256 -2.606 8.941 434 HB2 LYS 54 HB2 LYS 54 -9.789 -4.004 6.725 435 HB3 LYS 54 HB1 LYS 54 -10.433 -2.369 6.745 436 HG2 LYS 54 HG2 LYS 54 -8.171 -3.377 8.444 437 HG3 LYS 54 HG1 LYS 54 -8.017 -2.368 7.004 438 HD2 LYS 54 HD2 LYS 54 -9.271 -0.592 8.101 439 HD3 LYS 54 HD1 LYS 54 -9.486 -1.606 9.529 440 HE2 LYS 54 HE2 LYS 54 -7.078 -1.641 9.880 441 HE3 LYS 54 HE1 LYS 54 -6.840 -0.674 8.426 442 HZ1 LYS 54 HZ1 LYS 54 -8.067 1.128 9.466 443 HZ2 LYS 54 HZ2 LYS 54 -6.745 0.684 10.422 444 HZ3 LYS 54 HZ3 LYS 54 -8.303 0.197 10.860 445 H SER 55 HN SER 55 -12.055 -5.658 9.254 446 HA SER 55 HA SER 55 -13.818 -6.955 8.677 447 HG SER 55 HG SER 55 -15.705 -3.483 7.747 448 HB2 SER 55 HB2 SER 55 -15.892 -5.857 8.071 449 HB3 SER 55 HB1 SER 55 -15.061 -4.904 9.300 450 H GLY 56 HN GLY 56 -11.688 -6.199 6.558 451 HA2 GLY 56 HA2 GLY 56 -11.399 -7.534 4.596 452 HA3 GLY 56 HA1 GLY 56 -13.141 -7.537 4.382 453 H PHE 57 HN PHE 57 -12.508 -4.418 5.093 454 HA PHE 57 HA PHE 57 -11.669 -3.701 2.378 455 HD1 PHE 57 HD2 PHE 57 -14.724 -5.307 3.180 456 HD2 PHE 57 HD1 PHE 57 -13.952 -2.356 0.215 457 HE1 PHE 57 HE2 PHE 57 -15.838 -6.713 1.498 458 HE2 PHE 57 HE1 PHE 57 -15.067 -3.756 -1.475 459 HZ PHE 57 HZ PHE 57 -16.011 -5.939 -0.834 460 HB2 PHE 57 HB2 PHE 57 -14.227 -2.835 3.709 461 HB3 PHE 57 HB1 PHE 57 -13.480 -1.875 2.426 462 H ILE 58 HN ILE 58 -10.331 -2.031 2.283 463 HA ILE 58 HA ILE 58 -9.860 -0.498 4.753 464 HB ILE 58 HB ILE 58 -8.044 -0.290 2.386 465 HG12 ILE 58 HG12 ILE 58 -7.745 -2.525 4.391 466 HG13 ILE 58 HG11 ILE 58 -8.518 -2.757 2.827 467 HG21 ILE 58 HG21 ILE 58 -6.354 -0.115 4.225 468 HG22 ILE 58 HG22 ILE 58 -7.689 -0.195 5.372 469 HG23 ILE 58 HG23 ILE 58 -7.588 1.145 4.230 470 HD11 ILE 58 HD11 ILE 58 -5.669 -1.979 3.367 471 HD12 ILE 58 HD12 ILE 58 -6.411 -1.930 1.768 472 HD13 ILE 58 HD13 ILE 58 -6.267 -3.464 2.627 473 H GLU 59 HN GLU 59 -10.317 1.556 4.826 474 HA GLU 59 HA GLU 59 -11.486 2.721 2.429 475 HB2 GLU 59 HB2 GLU 59 -13.088 2.697 4.045 476 HB3 GLU 59 HB1 GLU 59 -11.957 2.976 5.350 477 HG2 GLU 59 HG2 GLU 59 -11.874 5.292 4.847 478 HG3 GLU 59 HG1 GLU 59 -12.699 5.048 3.304 479 H GLU 60 HN GLU 60 -11.031 4.696 1.783 480 HA GLU 60 HA GLU 60 -8.461 5.589 1.685 481 HB2 GLU 60 HB2 GLU 60 -9.485 7.858 1.109 482 HB3 GLU 60 HB1 GLU 60 -9.964 6.486 0.120 483 HG2 GLU 60 HG2 GLU 60 -12.064 6.981 0.562 484 HG3 GLU 60 HG1 GLU 60 -11.740 6.535 2.238 485 H ASP 61 HN ASP 61 -10.941 6.679 3.961 486 HA ASP 61 HA ASP 61 -9.374 8.611 5.258 487 HB2 ASP 61 HB2 ASP 61 -11.799 8.569 5.495 488 HB3 ASP 61 HB1 ASP 61 -11.719 7.000 6.291 489 H GLU 62 HN GLU 62 -10.089 5.222 6.163 490 HA GLU 62 HA GLU 62 -8.242 5.325 8.378 491 HB2 GLU 62 HB2 GLU 62 -9.654 2.984 7.089 492 HB3 GLU 62 HB1 GLU 62 -8.737 2.908 8.587 493 HG2 GLU 62 HG2 GLU 62 -10.293 4.468 9.628 494 HG3 GLU 62 HG1 GLU 62 -11.208 4.562 8.124 495 H LEU 63 HN LEU 63 -7.907 4.870 5.048 496 HA LEU 63 HA LEU 63 -5.920 2.951 4.818 497 HG LEU 63 HG LEU 63 -5.340 4.041 1.324 498 HB2 LEU 63 HB2 LEU 63 -7.298 4.292 3.035 499 HB3 LEU 63 HB1 LEU 63 -5.932 5.389 3.101 500 HD11 LEU 63 HD11 LEU 63 -4.171 2.625 3.709 501 HD12 LEU 63 HD12 LEU 63 -3.501 4.034 2.890 502 HD13 LEU 63 HD13 LEU 63 -3.587 2.486 2.050 503 HD21 LEU 63 HD21 LEU 63 -5.757 1.675 1.148 504 HD22 LEU 63 HD22 LEU 63 -7.250 2.501 1.592 505 HD23 LEU 63 HD23 LEU 63 -6.334 1.620 2.814 506 H GLY 64 HN GLY 64 -5.667 6.396 5.437 507 HA2 GLY 64 HA2 GLY 64 -2.846 6.534 5.308 508 HA3 GLY 64 HA1 GLY 64 -3.895 7.707 6.096 509 H SER 65 HN SER 65 -5.009 5.501 7.813 510 HA SER 65 HA SER 65 -3.039 5.735 9.913 511 HG SER 65 HG SER 65 -6.574 6.160 10.314 512 HB2 SER 65 HB2 SER 65 -5.702 4.292 9.893 513 HB3 SER 65 HB1 SER 65 -4.729 4.651 11.320 514 H ILE 66 HN ILE 66 -4.774 3.026 8.419 515 HA ILE 66 HA ILE 66 -3.185 0.987 9.499 516 HB ILE 66 HB ILE 66 -5.398 0.607 8.516 517 HG12 ILE 66 HG12 ILE 66 -4.923 -1.509 7.458 518 HG13 ILE 66 HG11 ILE 66 -3.283 -0.980 7.109 519 HG21 ILE 66 HG21 ILE 66 -4.048 0.959 5.855 520 HG22 ILE 66 HG22 ILE 66 -5.141 2.126 6.596 521 HG23 ILE 66 HG23 ILE 66 -5.737 0.533 6.132 522 HD11 ILE 66 HD11 ILE 66 -2.778 -0.926 9.484 523 HD12 ILE 66 HD12 ILE 66 -3.347 -2.520 8.990 524 HD13 ILE 66 HD13 ILE 66 -4.428 -1.424 9.850 525 H LEU 67 HN LEU 67 -2.472 3.229 7.011 526 HA LEU 67 HA LEU 67 -0.836 1.771 5.291 527 HG LEU 67 HG LEU 67 -0.501 4.928 3.594 528 HB2 LEU 67 HB2 LEU 67 -1.568 4.402 5.617 529 HB3 LEU 67 HB1 LEU 67 0.137 4.445 5.988 530 HD11 LEU 67 HD11 LEU 67 1.388 3.623 2.697 531 HD12 LEU 67 HD12 LEU 67 1.436 2.724 4.214 532 HD13 LEU 67 HD13 LEU 67 1.766 4.455 4.203 533 HD21 LEU 67 HD21 LEU 67 -1.643 3.469 2.382 534 HD22 LEU 67 HD22 LEU 67 -1.857 2.505 3.836 535 HD23 LEU 67 HD23 LEU 67 -0.497 2.187 2.768 536 H LYS 68 HN LYS 68 -0.286 3.013 8.470 537 HA LYS 68 HA LYS 68 2.441 3.110 8.660 538 HB2 LYS 68 HB2 LYS 68 0.489 2.151 10.745 539 HB3 LYS 68 HB1 LYS 68 2.126 2.722 11.053 540 HG2 LYS 68 HG2 LYS 68 1.592 4.922 10.545 541 HG3 LYS 68 HG1 LYS 68 0.149 4.469 9.631 542 HD2 LYS 68 HD2 LYS 68 -0.494 5.453 11.749 543 HD3 LYS 68 HD1 LYS 68 -0.909 3.738 11.740 544 HE2 LYS 68 HE2 LYS 68 1.134 3.250 13.010 545 HE3 LYS 68 HE1 LYS 68 1.524 4.968 13.032 546 HZ1 LYS 68 HZ1 LYS 68 0.489 4.315 15.095 547 HZ2 LYS 68 HZ2 LYS 68 -0.856 3.699 14.275 548 HZ3 LYS 68 HZ3 LYS 68 -0.543 5.361 14.255 549 H GLY 69 HN GLY 69 0.471 0.277 8.287 550 HA2 GLY 69 HA2 GLY 69 1.894 -1.750 9.428 551 HA3 GLY 69 HA1 GLY 69 1.154 -1.894 7.839 552 H PHE 70 HN PHE 70 2.598 -0.376 6.218 553 HA PHE 70 HA PHE 70 5.243 -1.618 6.310 554 HD1 PHE 70 HD2 PHE 70 2.171 -2.419 4.621 555 HD2 PHE 70 HD1 PHE 70 3.725 1.202 3.008 556 HE1 PHE 70 HE2 PHE 70 -0.062 -1.850 3.762 557 HE2 PHE 70 HE1 PHE 70 1.481 1.781 2.139 558 HZ PHE 70 HZ PHE 70 -0.406 0.248 2.522 559 HB2 PHE 70 HB2 PHE 70 5.194 -0.413 3.876 560 HB3 PHE 70 HB1 PHE 70 4.640 -2.056 4.170 561 H SER 71 HN SER 71 3.624 1.462 6.007 562 HA SER 71 HA SER 71 5.934 3.079 5.764 563 HG SER 71 HG SER 71 2.240 4.495 6.624 564 HB2 SER 71 HB2 SER 71 4.326 4.956 6.274 565 HB3 SER 71 HB1 SER 71 3.895 3.939 4.899 566 H SER 72 HN SER 72 5.034 1.340 8.418 567 HA SER 72 HA SER 72 5.000 2.991 10.591 568 HG SER 72 HG SER 72 5.754 1.758 12.649 569 HB2 SER 72 HB2 SER 72 4.838 0.602 10.884 570 HB3 SER 72 HB1 SER 72 6.479 0.369 10.280 571 H ASP 73 HN ASP 73 7.685 2.412 8.450 572 HA ASP 73 HA ASP 73 9.562 3.746 10.222 573 HB2 ASP 73 HB2 ASP 73 10.452 1.894 9.036 574 HB3 ASP 73 HB1 ASP 73 9.878 2.512 7.492 575 H ALA 74 HN ALA 74 7.638 4.358 7.394 576 HA ALA 74 HA ALA 74 8.855 6.966 6.922 577 HB1 ALA 74 HB1 ALA 74 6.537 5.690 5.472 578 HB2 ALA 74 HB2 ALA 74 8.227 5.452 5.036 579 HB3 ALA 74 HB3 ALA 74 7.514 7.058 4.937 580 H ARG 75 HN ARG 75 6.293 8.133 5.970 581 HA ARG 75 HA ARG 75 5.342 9.006 8.577 582 HE ARG 75 HE ARG 75 4.282 12.663 7.672 583 HB2 ARG 75 HB2 ARG 75 4.897 10.105 5.804 584 HB3 ARG 75 HB1 ARG 75 4.141 10.768 7.247 585 HG2 ARG 75 HG2 ARG 75 6.406 11.173 8.179 586 HG3 ARG 75 HG1 ARG 75 7.087 10.641 6.641 587 HD2 ARG 75 HD2 ARG 75 6.958 13.071 6.735 588 HD3 ARG 75 HD1 ARG 75 5.883 12.431 5.487 589 HH11 ARG 75 HH11 ARG 75 6.382 14.845 5.955 590 HH12 ARG 75 HH12 ARG 75 5.446 16.252 6.334 591 HH21 ARG 75 HH21 ARG 75 3.041 14.509 8.180 592 HH22 ARG 75 HH22 ARG 75 3.545 16.061 7.599 593 H ASP 76 HN ASP 76 3.287 9.014 5.714 594 HA ASP 76 HA ASP 76 1.767 6.760 6.048 595 HB2 ASP 76 HB2 ASP 76 -0.194 7.704 7.380 596 HB3 ASP 76 HB1 ASP 76 1.230 7.249 8.302 597 H LEU 77 HN LEU 77 0.172 6.664 4.576 598 HA LEU 77 HA LEU 77 -0.054 8.379 2.448 599 HG LEU 77 HG LEU 77 -2.920 8.332 1.921 600 HB2 LEU 77 HB2 LEU 77 -0.991 6.294 2.150 601 HB3 LEU 77 HB1 LEU 77 -1.829 6.328 3.685 602 HD11 LEU 77 HD11 LEU 77 -2.490 7.169 -0.002 603 HD12 LEU 77 HD12 LEU 77 -3.985 6.381 0.492 604 HD13 LEU 77 HD13 LEU 77 -2.433 5.614 0.818 605 HD21 LEU 77 HD21 LEU 77 -4.127 7.551 3.805 606 HD22 LEU 77 HD22 LEU 77 -3.940 5.872 3.301 607 HD23 LEU 77 HD23 LEU 77 -4.976 6.960 2.375 608 H SER 78 HN SER 78 -0.166 10.555 3.037 609 HA SER 78 HA SER 78 -2.172 11.539 4.831 610 HG SER 78 HG SER 78 0.470 12.488 2.448 611 HB2 SER 78 HB2 SER 78 -1.335 13.764 4.204 612 HB3 SER 78 HB1 SER 78 -0.002 12.676 4.593 613 H ALA 79 HN ALA 79 -3.224 13.751 3.718 614 HA ALA 79 HA ALA 79 -5.478 12.937 2.393 615 HB1 ALA 79 HB1 ALA 79 -5.861 15.234 1.825 616 HB2 ALA 79 HB2 ALA 79 -4.141 15.600 1.966 617 HB3 ALA 79 HB3 ALA 79 -5.075 15.184 3.405 618 H LYS 80 HN LYS 80 -2.545 14.284 0.929 619 HA LYS 80 HA LYS 80 -3.230 14.228 -1.728 620 HB2 LYS 80 HB2 LYS 80 -0.597 13.722 -0.361 621 HB3 LYS 80 HB1 LYS 80 -0.738 13.766 -2.114 622 HG2 LYS 80 HG2 LYS 80 -1.560 16.053 -2.007 623 HG3 LYS 80 HG1 LYS 80 -1.468 16.012 -0.245 624 HD2 LYS 80 HD2 LYS 80 0.909 15.535 -2.031 625 HD3 LYS 80 HD1 LYS 80 0.467 17.132 -1.419 626 HE2 LYS 80 HE2 LYS 80 0.621 16.238 0.886 627 HE3 LYS 80 HE1 LYS 80 1.170 14.700 0.223 628 HZ1 LYS 80 HZ1 LYS 80 2.553 17.315 -0.053 629 HZ2 LYS 80 HZ2 LYS 80 3.077 15.859 -0.738 630 HZ3 LYS 80 HZ3 LYS 80 3.034 16.035 0.943 631 H GLU 81 HN GLU 81 -1.628 11.598 0.065 632 HA GLU 81 HA GLU 81 -1.764 9.767 -2.105 633 HB2 GLU 81 HB2 GLU 81 -1.439 9.023 0.779 634 HB3 GLU 81 HB1 GLU 81 -0.788 8.197 -0.613 635 HG2 GLU 81 HG2 GLU 81 0.130 10.782 0.595 636 HG3 GLU 81 HG1 GLU 81 1.034 9.278 0.403 637 H THR 82 HN THR 82 -3.924 10.586 0.534 638 HA THR 82 HA THR 82 -5.433 8.206 0.509 639 HB THR 82 HB THR 82 -6.316 11.055 1.064 640 HG1 THR 82 HG1 THR 82 -6.245 10.070 3.293 641 HG21 THR 82 HG21 THR 82 -7.724 8.434 1.513 642 HG22 THR 82 HG22 THR 82 -8.271 9.798 0.535 643 HG23 THR 82 HG23 THR 82 -8.200 9.943 2.293 644 H LYS 83 HN LYS 83 -5.885 11.285 -1.154 645 HA LYS 83 HA LYS 83 -7.870 10.254 -2.933 646 HB2 LYS 83 HB2 LYS 83 -7.750 12.459 -3.996 647 HB3 LYS 83 HB1 LYS 83 -7.982 12.567 -2.265 648 HG2 LYS 83 HG2 LYS 83 -6.412 14.188 -2.583 649 HG3 LYS 83 HG1 LYS 83 -5.386 12.802 -2.221 650 HD2 LYS 83 HD2 LYS 83 -4.622 14.186 -4.162 651 HD3 LYS 83 HD1 LYS 83 -4.872 12.487 -4.537 652 HE2 LYS 83 HE2 LYS 83 -5.744 14.149 -6.229 653 HE3 LYS 83 HE1 LYS 83 -6.890 12.927 -5.677 654 HZ1 LYS 83 HZ1 LYS 83 -7.802 14.570 -4.131 655 HZ2 LYS 83 HZ2 LYS 83 -7.917 15.098 -5.734 656 HZ3 LYS 83 HZ3 LYS 83 -6.726 15.736 -4.717 657 H THR 84 HN THR 84 -4.404 10.602 -3.002 658 HA THR 84 HA THR 84 -4.285 10.235 -5.863 659 HB THR 84 HB THR 84 -2.041 10.449 -3.874 660 HG1 THR 84 HG1 THR 84 -1.865 12.562 -4.791 661 HG21 THR 84 HG21 THR 84 -1.369 9.205 -5.881 662 HG22 THR 84 HG22 THR 84 -0.598 10.790 -5.820 663 HG23 THR 84 HG23 THR 84 -1.970 10.517 -6.894 664 H LEU 85 HN LEU 85 -2.958 8.502 -3.080 665 HA LEU 85 HA LEU 85 -2.302 6.213 -4.665 666 HG LEU 85 HG LEU 85 0.278 6.353 -2.123 667 HB2 LEU 85 HB2 LEU 85 -1.978 7.003 -1.844 668 HB3 LEU 85 HB1 LEU 85 -1.997 5.288 -2.203 669 HD11 LEU 85 HD11 LEU 85 -0.782 4.823 -4.461 670 HD12 LEU 85 HD12 LEU 85 0.250 4.276 -3.140 671 HD13 LEU 85 HD13 LEU 85 0.910 5.301 -4.410 672 HD21 LEU 85 HD21 LEU 85 -0.734 7.634 -4.658 673 HD22 LEU 85 HD22 LEU 85 0.960 7.576 -4.170 674 HD23 LEU 85 HD23 LEU 85 -0.211 8.456 -3.188 675 H MET 86 HN MET 86 -4.726 6.780 -2.060 676 HA MET 86 HA MET 86 -5.767 4.165 -2.272 677 HB2 MET 86 HB2 MET 86 -6.192 6.365 -0.635 678 HB3 MET 86 HB1 MET 86 -7.723 6.141 -1.465 679 HG2 MET 86 HG2 MET 86 -6.539 3.676 -0.447 680 HG3 MET 86 HG1 MET 86 -6.976 4.848 0.791 681 HE1 MET 86 HE1 MET 86 -9.104 4.569 -2.658 682 HE2 MET 86 HE2 MET 86 -9.885 3.035 -2.275 683 HE3 MET 86 HE3 MET 86 -8.130 3.120 -2.419 684 H ALA 87 HN ALA 87 -6.925 7.267 -3.607 685 HA ALA 87 HA ALA 87 -9.082 6.200 -5.052 686 HB1 ALA 87 HB1 ALA 87 -7.682 8.512 -6.240 687 HB2 ALA 87 HB2 ALA 87 -8.249 8.699 -4.580 688 HB3 ALA 87 HB3 ALA 87 -9.389 8.285 -5.861 689 H ALA 88 HN ALA 88 -5.647 6.370 -5.838 690 HA ALA 88 HA ALA 88 -6.067 5.588 -8.585 691 HB1 ALA 88 HB1 ALA 88 -4.168 7.012 -7.999 692 HB2 ALA 88 HB2 ALA 88 -3.630 5.496 -8.722 693 HB3 ALA 88 HB3 ALA 88 -3.517 5.729 -6.978 694 H GLY 89 HN GLY 89 -4.413 4.071 -5.796 695 HA2 GLY 89 HA2 GLY 89 -3.991 1.570 -6.844 696 HA3 GLY 89 HA1 GLY 89 -4.336 1.857 -5.143 697 H ASP 90 HN ASP 90 -6.942 2.913 -5.550 698 HA ASP 90 HA ASP 90 -8.417 0.448 -6.069 699 HB2 ASP 90 HB2 ASP 90 -10.150 1.283 -4.725 700 HB3 ASP 90 HB1 ASP 90 -8.698 1.858 -3.918 701 H LYS 91 HN LYS 91 -7.343 1.731 -8.261 702 HA LYS 91 HA LYS 91 -8.345 3.615 -9.753 703 HB2 LYS 91 HB2 LYS 91 -6.791 1.660 -10.285 704 HB3 LYS 91 HB1 LYS 91 -8.235 0.825 -10.829 705 HG2 LYS 91 HG2 LYS 91 -7.178 3.406 -11.925 706 HG3 LYS 91 HG1 LYS 91 -7.031 1.804 -12.633 707 HD2 LYS 91 HD2 LYS 91 -9.646 1.813 -12.410 708 HD3 LYS 91 HD1 LYS 91 -9.416 3.563 -12.420 709 HE2 LYS 91 HE2 LYS 91 -8.404 1.655 -14.524 710 HE3 LYS 91 HE1 LYS 91 -9.838 2.669 -14.673 711 HZ1 LYS 91 HZ1 LYS 91 -8.446 4.624 -14.485 712 HZ2 LYS 91 HZ2 LYS 91 -7.912 3.654 -15.763 713 HZ3 LYS 91 HZ3 LYS 91 -7.065 3.663 -14.301 714 H ASP 92 HN ASP 92 -10.164 0.653 -9.101 715 HA ASP 92 HA ASP 92 -12.239 0.986 -10.904 716 HB2 ASP 92 HB2 ASP 92 -11.950 -1.020 -9.494 717 HB3 ASP 92 HB1 ASP 92 -12.466 -0.095 -8.087 718 H GLY 93 HN GLY 93 -11.499 2.885 -8.138 719 HA2 GLY 93 HA2 GLY 93 -12.364 4.930 -7.523 720 HA3 GLY 93 HA1 GLY 93 -13.597 4.743 -8.763 721 H ASP 94 HN ASP 94 -12.712 3.051 -5.739 722 HA ASP 94 HA ASP 94 -15.563 3.163 -5.007 723 HB2 ASP 94 HB2 ASP 94 -13.469 1.160 -4.144 724 HB3 ASP 94 HB1 ASP 94 -15.153 1.162 -3.631 725 H GLY 95 HN GLY 95 -12.523 4.412 -4.214 726 HA2 GLY 95 HA2 GLY 95 -11.995 5.915 -2.517 727 HA3 GLY 95 HA1 GLY 95 -13.587 5.627 -1.846 728 H LYS 96 HN LYS 96 -12.446 2.669 -2.216 729 HA LYS 96 HA LYS 96 -10.904 2.531 0.251 730 HB2 LYS 96 HB2 LYS 96 -12.872 0.362 0.053 731 HB3 LYS 96 HB1 LYS 96 -12.437 1.338 1.448 732 HG2 LYS 96 HG2 LYS 96 -14.208 2.444 -0.696 733 HG3 LYS 96 HG1 LYS 96 -14.850 1.406 0.578 734 HD2 LYS 96 HD2 LYS 96 -14.085 2.925 2.275 735 HD3 LYS 96 HD1 LYS 96 -13.259 3.919 1.072 736 HE2 LYS 96 HE2 LYS 96 -15.399 4.905 1.776 737 HE3 LYS 96 HE1 LYS 96 -15.382 4.505 0.058 738 HZ1 LYS 96 HZ1 LYS 96 -16.614 2.484 0.555 739 HZ2 LYS 96 HZ2 LYS 96 -17.459 3.848 1.090 740 HZ3 LYS 96 HZ3 LYS 96 -16.636 2.876 2.202 741 H ILE 97 HN ILE 97 -9.532 0.696 0.347 742 HA ILE 97 HA ILE 97 -9.257 -0.701 -2.224 743 HB ILE 97 HB ILE 97 -7.216 -0.366 -0.021 744 HG12 ILE 97 HG12 ILE 97 -7.474 0.919 -2.746 745 HG13 ILE 97 HG11 ILE 97 -7.594 1.727 -1.185 746 HG21 ILE 97 HG21 ILE 97 -5.635 -1.327 -1.653 747 HG22 ILE 97 HG22 ILE 97 -6.988 -1.650 -2.740 748 HG23 ILE 97 HG23 ILE 97 -6.897 -2.464 -1.179 749 HD11 ILE 97 HD11 ILE 97 -5.440 2.085 -2.341 750 HD12 ILE 97 HD12 ILE 97 -5.117 0.355 -2.199 751 HD13 ILE 97 HD13 ILE 97 -5.273 1.347 -0.748 752 H GLY 98 HN GLY 98 -10.125 -2.650 -2.275 753 HA2 GLY 98 HA2 GLY 98 -10.140 -4.281 0.184 754 HA3 GLY 98 HA1 GLY 98 -11.243 -4.480 -1.171 755 H VAL 99 HN VAL 99 -10.029 -6.705 -0.291 756 HA VAL 99 HA VAL 99 -7.536 -7.411 -1.183 757 HB VAL 99 HB VAL 99 -9.114 -8.914 0.057 758 HG11 VAL 99 HG11 VAL 99 -10.705 -10.255 -1.116 759 HG12 VAL 99 HG12 VAL 99 -10.203 -9.585 -2.668 760 HG13 VAL 99 HG13 VAL 99 -11.039 -8.564 -1.496 761 HG21 VAL 99 HG21 VAL 99 -8.275 -10.988 -0.974 762 HG22 VAL 99 HG22 VAL 99 -7.017 -9.763 -0.800 763 HG23 VAL 99 HG23 VAL 99 -7.751 -10.056 -2.376 764 H GLU 100 HN GLU 100 -10.498 -7.184 -3.076 765 HA GLU 100 HA GLU 100 -9.395 -8.214 -5.479 766 HB2 GLU 100 HB2 GLU 100 -11.437 -7.371 -6.540 767 HB3 GLU 100 HB1 GLU 100 -11.788 -8.253 -5.061 768 HG2 GLU 100 HG2 GLU 100 -11.850 -6.069 -3.889 769 HG3 GLU 100 HG1 GLU 100 -11.801 -5.290 -5.467 770 H GLU 101 HN GLU 101 -10.096 -4.932 -4.348 771 HA GLU 101 HA GLU 101 -9.131 -3.631 -6.666 772 HB2 GLU 101 HB2 GLU 101 -10.360 -2.935 -4.190 773 HB3 GLU 101 HB1 GLU 101 -8.947 -1.916 -4.412 774 HG2 GLU 101 HG2 GLU 101 -10.907 -0.841 -5.317 775 HG3 GLU 101 HG1 GLU 101 -9.780 -1.246 -6.611 776 H PHE 102 HN PHE 102 -7.635 -4.671 -3.674 777 HA PHE 102 HA PHE 102 -5.309 -3.175 -3.670 778 HD1 PHE 102 HD2 PHE 102 -5.156 -3.182 -0.746 779 HD2 PHE 102 HD1 PHE 102 -2.858 -6.059 -2.842 780 HE1 PHE 102 HE2 PHE 102 -3.174 -2.530 0.557 781 HE2 PHE 102 HE1 PHE 102 -0.857 -5.429 -1.545 782 HZ PHE 102 HZ PHE 102 -1.018 -3.655 0.158 783 HB2 PHE 102 HB2 PHE 102 -6.185 -5.027 -2.027 784 HB3 PHE 102 HB1 PHE 102 -5.190 -6.092 -3.003 785 H SER 103 HN SER 103 -6.244 -5.860 -5.684 786 HA SER 103 HA SER 103 -3.664 -6.417 -6.742 787 HG SER 103 HG SER 103 -5.064 -8.712 -8.921 788 HB2 SER 103 HB2 SER 103 -5.478 -8.065 -6.870 789 HB3 SER 103 HB1 SER 103 -6.407 -6.978 -7.902 790 H THR 104 HN THR 104 -6.381 -4.410 -7.797 791 HA THR 104 HA THR 104 -5.368 -3.595 -10.266 792 HB THR 104 HB THR 104 -7.036 -1.909 -8.386 793 HG1 THR 104 HG1 THR 104 -7.705 -4.009 -10.168 794 HG21 THR 104 HG21 THR 104 -7.925 -1.062 -10.627 795 HG22 THR 104 HG22 THR 104 -6.503 -1.819 -11.346 796 HG23 THR 104 HG23 THR 104 -6.309 -0.532 -10.156 797 H LEU 105 HN LEU 105 -4.781 -2.425 -7.010 798 HA LEU 105 HA LEU 105 -3.387 -0.079 -7.609 799 HG LEU 105 HG LEU 105 -1.113 -0.973 -5.168 800 HB2 LEU 105 HB2 LEU 105 -4.069 -0.430 -5.373 801 HB3 LEU 105 HB1 LEU 105 -3.280 -1.991 -5.292 802 HD11 LEU 105 HD11 LEU 105 -2.410 1.731 -5.383 803 HD12 LEU 105 HD12 LEU 105 -1.688 0.897 -6.757 804 HD13 LEU 105 HD13 LEU 105 -0.690 1.345 -5.374 805 HD21 LEU 105 HD21 LEU 105 -2.106 -1.116 -3.046 806 HD22 LEU 105 HD22 LEU 105 -3.192 0.234 -3.370 807 HD23 LEU 105 HD23 LEU 105 -1.470 0.527 -3.138 808 H VAL 106 HN VAL 106 -2.345 -3.433 -7.467 809 HA VAL 106 HA VAL 106 0.423 -3.009 -7.639 810 HB VAL 106 HB VAL 106 -1.163 -5.305 -8.804 811 HG11 VAL 106 HG11 VAL 106 1.061 -5.251 -9.720 812 HG12 VAL 106 HG12 VAL 106 0.965 -6.555 -8.537 813 HG13 VAL 106 HG13 VAL 106 1.760 -5.039 -8.116 814 HG21 VAL 106 HG21 VAL 106 -0.608 -6.465 -6.699 815 HG22 VAL 106 HG22 VAL 106 -1.632 -5.053 -6.442 816 HG23 VAL 106 HG23 VAL 106 0.091 -4.969 -6.080 817 H ALA 107 HN ALA 107 -2.121 -3.083 -10.049 818 HA ALA 107 HA ALA 107 -0.310 -2.914 -12.285 819 HB1 ALA 107 HB1 ALA 107 -2.331 -2.703 -13.637 820 HB2 ALA 107 HB2 ALA 107 -3.302 -2.538 -12.175 821 HB3 ALA 107 HB3 ALA 107 -2.463 -4.052 -12.510 822 H GLU 108 HN GLU 108 -2.339 -0.712 -10.413 823 HA GLU 108 HA GLU 108 -2.298 1.551 -11.967 824 HB2 GLU 108 HB2 GLU 108 -2.144 1.239 -8.977 825 HB3 GLU 108 HB1 GLU 108 -2.232 2.817 -9.749 826 HG2 GLU 108 HG2 GLU 108 -4.240 0.729 -10.405 827 HG3 GLU 108 HG1 GLU 108 -4.406 1.700 -8.944 828 H SER 109 HN SER 109 -0.090 1.136 -9.226 829 HA SER 109 HA SER 109 1.734 3.087 -9.888 830 HG SER 109 HG SER 109 4.024 2.480 -8.394 831 HB2 SER 109 HB2 SER 109 1.979 2.141 -7.750 832 HB3 SER 109 HB1 SER 109 2.038 0.499 -8.381 Start of MODEL 6 1 HA SER 1 HA SER 1 6.127 -7.925 9.307 2 HG SER 1 HG SER 1 7.138 -4.510 8.031 3 H1 SER 1 HT1 SER 1 8.297 -7.700 10.279 4 H2 SER 1 HT2 SER 1 8.917 -7.052 8.846 5 H3 SER 1 HT3 SER 1 8.385 -8.656 8.886 6 HB2 SER 1 HB2 SER 1 5.588 -5.528 9.084 7 HB3 SER 1 HB1 SER 1 6.675 -5.819 10.441 8 H MET 2 HN MET 2 5.638 -9.008 7.481 9 HA MET 2 HA MET 2 5.156 -9.389 5.290 10 HB2 MET 2 HB2 MET 2 4.123 -7.103 5.551 11 HB3 MET 2 HB1 MET 2 5.603 -6.432 4.879 12 HG2 MET 2 HG2 MET 2 3.822 -6.646 3.208 13 HG3 MET 2 HG1 MET 2 5.248 -7.606 2.809 14 HE1 MET 2 HE1 MET 2 1.792 -9.334 1.630 15 HE2 MET 2 HE2 MET 2 3.414 -9.123 0.985 16 HE3 MET 2 HE3 MET 2 2.499 -7.722 1.544 17 H THR 3 HN THR 3 7.779 -9.841 6.100 18 HA THR 3 HA THR 3 9.474 -8.822 3.944 19 HB THR 3 HB THR 3 11.311 -10.019 5.201 20 HG1 THR 3 HG1 THR 3 10.858 -10.822 7.210 21 HG21 THR 3 HG21 THR 3 9.779 -7.934 6.759 22 HG22 THR 3 HG22 THR 3 10.883 -7.598 5.424 23 HG23 THR 3 HG23 THR 3 11.496 -8.310 6.917 24 H ASP 4 HN ASP 4 7.762 -11.658 4.891 25 HA ASP 4 HA ASP 4 9.318 -13.571 3.483 26 HB2 ASP 4 HB2 ASP 4 6.391 -13.679 4.249 27 HB3 ASP 4 HB1 ASP 4 7.383 -15.051 3.761 28 H LEU 5 HN LEU 5 6.630 -11.488 2.607 29 HA LEU 5 HA LEU 5 6.571 -12.659 -0.077 30 HG LEU 5 HG LEU 5 3.033 -12.505 1.189 31 HB2 LEU 5 HB2 LEU 5 4.678 -10.797 1.343 32 HB3 LEU 5 HB1 LEU 5 4.524 -11.222 -0.347 33 HD11 LEU 5 HD11 LEU 5 4.952 -14.370 -0.144 34 HD12 LEU 5 HD12 LEU 5 3.971 -13.249 -1.084 35 HD13 LEU 5 HD13 LEU 5 3.190 -14.452 -0.058 36 HD21 LEU 5 HD21 LEU 5 4.684 -12.718 3.038 37 HD22 LEU 5 HD22 LEU 5 5.581 -13.868 2.045 38 HD23 LEU 5 HD23 LEU 5 3.944 -14.249 2.570 39 H LEU 6 HN LEU 6 6.292 -9.376 1.281 40 HA LEU 6 HA LEU 6 7.244 -8.161 -1.125 41 HG LEU 6 HG LEU 6 4.785 -7.781 0.935 42 HB2 LEU 6 HB2 LEU 6 6.963 -6.953 1.627 43 HB3 LEU 6 HB1 LEU 6 7.125 -6.074 0.118 44 HD11 LEU 6 HD11 LEU 6 3.553 -5.746 1.072 45 HD12 LEU 6 HD12 LEU 6 4.933 -4.824 0.484 46 HD13 LEU 6 HD13 LEU 6 4.999 -5.586 2.070 47 HD21 LEU 6 HD21 LEU 6 4.951 -8.035 -1.387 48 HD22 LEU 6 HD22 LEU 6 5.443 -6.356 -1.617 49 HD23 LEU 6 HD23 LEU 6 3.787 -6.734 -1.152 50 H SER 7 HN SER 7 9.255 -7.414 -1.622 51 HA SER 7 HA SER 7 11.490 -8.567 -0.475 52 HG SER 7 HG SER 7 10.379 -5.543 -1.725 53 HB2 SER 7 HB2 SER 7 12.675 -6.491 -1.584 54 HB3 SER 7 HB1 SER 7 11.912 -7.723 -2.585 55 H ALA 8 HN ALA 8 12.119 -8.344 1.588 56 HA ALA 8 HA ALA 8 11.391 -6.240 3.289 57 HB1 ALA 8 HB1 ALA 8 12.984 -7.184 4.872 58 HB2 ALA 8 HB2 ALA 8 13.695 -8.159 3.589 59 HB3 ALA 8 HB3 ALA 8 12.036 -8.452 4.097 60 H GLU 9 HN GLU 9 14.353 -6.799 1.445 61 HA GLU 9 HA GLU 9 15.805 -4.618 2.487 62 HB2 GLU 9 HB2 GLU 9 17.081 -6.247 1.390 63 HB3 GLU 9 HB1 GLU 9 16.005 -6.297 0.005 64 HG2 GLU 9 HG2 GLU 9 16.847 -4.250 -0.833 65 HG3 GLU 9 HG1 GLU 9 17.738 -3.928 0.656 66 H ASP 10 HN ASP 10 13.860 -4.961 -0.457 67 HA ASP 10 HA ASP 10 14.200 -2.429 -1.551 68 HB2 ASP 10 HB2 ASP 10 11.736 -4.164 -1.546 69 HB3 ASP 10 HB1 ASP 10 12.049 -2.847 -2.678 70 H ILE 11 HN ILE 11 11.604 -3.579 0.555 71 HA ILE 11 HA ILE 11 10.153 -1.222 0.808 72 HB ILE 11 HB ILE 11 10.563 -3.380 2.866 73 HG12 ILE 11 HG12 ILE 11 8.163 -3.314 1.126 74 HG13 ILE 11 HG11 ILE 11 9.673 -3.860 0.400 75 HG21 ILE 11 HG21 ILE 11 8.380 -2.696 3.730 76 HG22 ILE 11 HG22 ILE 11 8.298 -1.426 2.511 77 HG23 ILE 11 HG23 ILE 11 9.526 -1.355 3.775 78 HD11 ILE 11 HD11 ILE 11 8.783 -5.831 1.136 79 HD12 ILE 11 HD12 ILE 11 8.039 -5.095 2.555 80 HD13 ILE 11 HD13 ILE 11 9.778 -5.383 2.520 81 H LYS 12 HN LYS 12 12.653 -2.499 3.015 82 HA LYS 12 HA LYS 12 12.650 -0.305 4.745 83 HB2 LYS 12 HB2 LYS 12 14.794 -2.318 4.079 84 HB3 LYS 12 HB1 LYS 12 14.991 -1.094 5.326 85 HG2 LYS 12 HG2 LYS 12 13.402 -2.048 6.701 86 HG3 LYS 12 HG1 LYS 12 12.620 -2.902 5.371 87 HD2 LYS 12 HD2 LYS 12 13.743 -4.592 6.517 88 HD3 LYS 12 HD1 LYS 12 14.838 -4.202 5.189 89 HE2 LYS 12 HE2 LYS 12 15.048 -3.258 8.046 90 HE3 LYS 12 HE1 LYS 12 16.090 -4.431 7.244 91 HZ1 LYS 12 HZ1 LYS 12 16.494 -2.464 5.614 92 HZ2 LYS 12 HZ2 LYS 12 17.327 -2.532 7.083 93 HZ3 LYS 12 HZ3 LYS 12 15.987 -1.516 6.923 94 H LYS 13 HN LYS 13 14.277 -0.866 1.694 95 HA LYS 13 HA LYS 13 16.050 1.366 1.867 96 HB2 LYS 13 HB2 LYS 13 15.077 -0.295 -0.451 97 HB3 LYS 13 HB1 LYS 13 16.242 1.007 -0.627 98 HG2 LYS 13 HG2 LYS 13 17.909 -0.150 0.447 99 HG3 LYS 13 HG1 LYS 13 16.773 -1.173 1.330 100 HD2 LYS 13 HD2 LYS 13 18.032 -2.334 -0.511 101 HD3 LYS 13 HD1 LYS 13 16.277 -2.441 -0.623 102 HE2 LYS 13 HE2 LYS 13 17.401 -1.973 -2.790 103 HE3 LYS 13 HE1 LYS 13 16.199 -0.769 -2.320 104 HZ1 LYS 13 HZ1 LYS 13 17.969 0.674 -1.569 105 HZ2 LYS 13 HZ2 LYS 13 18.236 0.240 -3.182 106 HZ3 LYS 13 HZ3 LYS 13 19.137 -0.490 -1.952 107 H ALA 14 HN ALA 14 13.068 0.768 0.035 108 HA ALA 14 HA ALA 14 12.899 3.379 -1.044 109 HB1 ALA 14 HB1 ALA 14 10.504 1.627 -0.696 110 HB2 ALA 14 HB2 ALA 14 11.788 1.165 -1.811 111 HB3 ALA 14 HB3 ALA 14 10.930 2.691 -2.036 112 H ILE 15 HN ILE 15 11.637 1.888 1.858 113 HA ILE 15 HA ILE 15 9.820 3.975 2.464 114 HB ILE 15 HB ILE 15 10.820 1.638 4.021 115 HG12 ILE 15 HG12 ILE 15 8.320 2.560 2.662 116 HG13 ILE 15 HG11 ILE 15 9.333 1.201 2.222 117 HG21 ILE 15 HG21 ILE 15 10.348 3.596 5.571 118 HG22 ILE 15 HG22 ILE 15 9.349 2.167 5.822 119 HG23 ILE 15 HG23 ILE 15 8.693 3.556 4.965 120 HD11 ILE 15 HD11 ILE 15 7.515 0.187 3.197 121 HD12 ILE 15 HD12 ILE 15 7.315 1.478 4.378 122 HD13 ILE 15 HD13 ILE 15 8.623 0.305 4.566 123 H GLY 16 HN GLY 16 13.111 3.197 3.547 124 HA2 GLY 16 HA2 GLY 16 13.119 5.591 5.233 125 HA3 GLY 16 HA1 GLY 16 14.325 4.318 5.249 126 H ALA 17 HN ALA 17 13.938 4.935 2.049 127 HA ALA 17 HA ALA 17 16.310 6.627 2.065 128 HB1 ALA 17 HB1 ALA 17 16.501 6.110 -0.305 129 HB2 ALA 17 HB2 ALA 17 14.955 5.264 -0.253 130 HB3 ALA 17 HB3 ALA 17 16.332 4.642 0.657 131 H PHE 18 HN PHE 18 13.075 6.704 0.530 132 HA PHE 18 HA PHE 18 13.377 9.610 0.411 133 HD1 PHE 18 HD1 PHE 18 11.458 6.649 -0.480 134 HD2 PHE 18 HD2 PHE 18 12.345 8.688 -4.112 135 HE1 PHE 18 HE1 PHE 18 10.016 5.074 -1.717 136 HE2 PHE 18 HE2 PHE 18 10.910 7.121 -5.344 137 HZ PHE 18 HZ PHE 18 9.746 5.314 -4.149 138 HB2 PHE 18 HB2 PHE 18 12.639 9.755 -1.835 139 HB3 PHE 18 HB1 PHE 18 13.916 8.553 -1.781 140 H THR 19 HN THR 19 12.044 9.006 2.432 141 HA THR 19 HA THR 19 9.498 8.103 2.512 142 HB THR 19 HB THR 19 9.028 9.708 4.327 143 HG1 THR 19 HG1 THR 19 11.581 10.846 3.884 144 HG21 THR 19 HG21 THR 19 10.869 9.080 5.803 145 HG22 THR 19 HG22 THR 19 11.850 8.633 4.407 146 HG23 THR 19 HG23 THR 19 10.392 7.717 4.790 147 H ALA 20 HN ALA 20 10.541 11.227 1.290 148 HA ALA 20 HA ALA 20 8.235 12.611 0.932 149 HB1 ALA 20 HB1 ALA 20 9.293 13.683 -0.993 150 HB2 ALA 20 HB2 ALA 20 10.495 12.394 -1.052 151 HB3 ALA 20 HB3 ALA 20 10.435 13.480 0.336 152 H ALA 21 HN ALA 21 9.440 9.929 -1.045 153 HA ALA 21 HA ALA 21 7.683 10.040 -3.173 154 HB1 ALA 21 HB1 ALA 21 8.034 7.655 -3.443 155 HB2 ALA 21 HB2 ALA 21 8.636 7.538 -1.790 156 HB3 ALA 21 HB3 ALA 21 9.545 8.444 -2.997 157 H ASP 22 HN ASP 22 7.250 7.909 -0.379 158 HA ASP 22 HA ASP 22 4.528 7.417 -0.807 159 HB2 ASP 22 HB2 ASP 22 5.904 6.029 0.682 160 HB3 ASP 22 HB1 ASP 22 6.074 7.379 1.796 161 H SER 23 HN SER 23 6.188 10.137 0.464 162 HA SER 23 HA SER 23 4.156 11.250 2.057 163 HG SER 23 HG SER 23 5.237 14.163 2.093 164 HB2 SER 23 HB2 SER 23 6.721 11.839 1.813 165 HB3 SER 23 HB1 SER 23 6.126 12.966 0.590 166 H PHE 24 HN PHE 24 5.206 12.128 -1.257 167 HA PHE 24 HA PHE 24 2.657 13.507 -1.632 168 HD1 PHE 24 HD1 PHE 24 4.517 12.604 -5.214 169 HD2 PHE 24 HD2 PHE 24 6.834 14.125 -1.984 170 HE1 PHE 24 HE1 PHE 24 6.550 11.677 -6.242 171 HE2 PHE 24 HE2 PHE 24 8.872 13.199 -3.006 172 HZ PHE 24 HZ PHE 24 8.731 11.973 -5.138 173 HB2 PHE 24 HB2 PHE 24 3.688 14.407 -3.700 174 HB3 PHE 24 HB1 PHE 24 4.594 14.797 -2.244 175 H ASP 25 HN ASP 25 4.528 10.848 -3.050 176 HA ASP 25 HA ASP 25 2.063 9.811 -4.200 177 HB2 ASP 25 HB2 ASP 25 4.415 10.719 -5.818 178 HB3 ASP 25 HB1 ASP 25 3.454 9.351 -6.374 179 H HIS 26 HN HIS 26 2.101 7.991 -2.985 180 HA HIS 26 HA HIS 26 4.451 6.478 -2.488 181 HD1 HIS 26 HD1 HIS 26 4.344 3.711 -2.305 182 HD2 HIS 26 HD2 HIS 26 0.465 3.891 -0.843 183 HE1 HIS 26 HE1 HIS 26 3.712 1.337 -1.796 184 HE2 HIS 26 HE2 HIS 26 1.315 1.457 -1.033 185 HB2 HIS 26 HB2 HIS 26 2.920 6.187 -0.820 186 HB3 HIS 26 HB1 HIS 26 1.547 6.201 -1.905 187 H LYS 27 HN LYS 27 2.279 6.590 -5.158 188 HA LYS 27 HA LYS 27 2.271 4.081 -6.179 189 HB2 LYS 27 HB2 LYS 27 2.509 6.760 -7.492 190 HB3 LYS 27 HB1 LYS 27 2.512 5.302 -8.450 191 HG2 LYS 27 HG2 LYS 27 0.342 5.574 -6.473 192 HG3 LYS 27 HG1 LYS 27 0.295 6.649 -7.875 193 HD2 LYS 27 HD2 LYS 27 0.841 3.766 -8.300 194 HD3 LYS 27 HD1 LYS 27 -0.816 4.260 -7.944 195 HE2 LYS 27 HE2 LYS 27 -0.271 4.132 -10.380 196 HE3 LYS 27 HE1 LYS 27 -0.859 5.706 -9.845 197 HZ1 LYS 27 HZ1 LYS 27 1.427 6.493 -9.776 198 HZ2 LYS 27 HZ2 LYS 27 1.034 5.932 -11.321 199 HZ3 LYS 27 HZ3 LYS 27 1.987 4.983 -10.296 200 H LYS 28 HN LYS 28 4.837 6.511 -6.664 201 HA LYS 28 HA LYS 28 6.615 4.834 -8.044 202 HB2 LYS 28 HB2 LYS 28 7.268 7.146 -6.202 203 HB3 LYS 28 HB1 LYS 28 8.357 6.446 -7.391 204 HG2 LYS 28 HG2 LYS 28 5.792 7.918 -7.954 205 HG3 LYS 28 HG1 LYS 28 7.432 8.506 -8.232 206 HD2 LYS 28 HD2 LYS 28 6.962 7.776 -10.337 207 HD3 LYS 28 HD1 LYS 28 7.568 6.263 -9.660 208 HE2 LYS 28 HE2 LYS 28 5.532 5.805 -10.841 209 HE3 LYS 28 HE1 LYS 28 5.222 5.639 -9.115 210 HZ1 LYS 28 HZ1 LYS 28 4.229 7.832 -9.106 211 HZ2 LYS 28 HZ2 LYS 28 3.453 6.850 -10.243 212 HZ3 LYS 28 HZ3 LYS 28 4.557 8.025 -10.754 213 H PHE 29 HN PHE 29 6.306 5.627 -4.612 214 HA PHE 29 HA PHE 29 8.362 4.058 -3.602 215 HD1 PHE 29 HD2 PHE 29 8.607 2.872 -1.505 216 HD2 PHE 29 HD1 PHE 29 4.819 4.493 -0.453 217 HE1 PHE 29 HE2 PHE 29 8.516 1.396 0.464 218 HE2 PHE 29 HE1 PHE 29 4.722 3.018 1.507 219 HZ PHE 29 HZ PHE 29 6.568 1.467 1.968 220 HB2 PHE 29 HB2 PHE 29 7.370 5.530 -2.072 221 HB3 PHE 29 HB1 PHE 29 5.740 5.033 -2.495 222 H PHE 30 HN PHE 30 5.205 3.206 -4.794 223 HA PHE 30 HA PHE 30 4.994 0.598 -3.750 224 HD1 PHE 30 HD1 PHE 30 3.291 -1.425 -5.664 225 HD2 PHE 30 HD2 PHE 30 1.827 2.055 -3.715 226 HE1 PHE 30 HE1 PHE 30 1.487 -2.761 -4.628 227 HE2 PHE 30 HE2 PHE 30 0.049 0.730 -2.661 228 HZ PHE 30 HZ PHE 30 -0.126 -1.682 -3.120 229 HB2 PHE 30 HB2 PHE 30 3.457 2.250 -5.389 230 HB3 PHE 30 HB1 PHE 30 3.865 0.884 -6.422 231 H GLN 31 HN GLN 31 6.772 1.920 -6.399 232 HA GLN 31 HA GLN 31 7.311 -0.621 -7.635 233 HB2 GLN 31 HB2 GLN 31 8.663 2.004 -8.189 234 HB3 GLN 31 HB1 GLN 31 8.571 0.609 -9.250 235 HG2 GLN 31 HG2 GLN 31 6.111 0.937 -9.348 236 HG3 GLN 31 HG1 GLN 31 6.324 2.424 -8.424 237 HE21 GLN 31 HE21 GLN 31 5.538 3.727 -10.059 238 HE22 GLN 31 HE22 GLN 31 6.415 4.027 -11.517 239 H MET 32 HN MET 32 9.289 1.821 -5.945 240 HA MET 32 HA MET 32 11.636 0.218 -5.932 241 HB2 MET 32 HB2 MET 32 11.050 2.402 -3.951 242 HB3 MET 32 HB1 MET 32 12.609 1.896 -4.587 243 HG2 MET 32 HG2 MET 32 11.816 2.697 -6.837 244 HG3 MET 32 HG1 MET 32 10.442 3.413 -5.994 245 HE1 MET 32 HE1 MET 32 12.899 6.407 -6.969 246 HE2 MET 32 HE2 MET 32 11.288 5.737 -7.223 247 HE3 MET 32 HE3 MET 32 12.703 4.900 -7.864 248 H VAL 33 HN VAL 33 8.901 0.498 -3.801 249 HA VAL 33 HA VAL 33 10.029 -0.700 -1.513 250 HB VAL 33 HB VAL 33 7.899 0.569 -1.533 251 HG11 VAL 33 HG11 VAL 33 6.580 -1.921 -2.529 252 HG12 VAL 33 HG12 VAL 33 7.088 -0.637 -3.620 253 HG13 VAL 33 HG13 VAL 33 5.903 -0.303 -2.359 254 HG21 VAL 33 HG21 VAL 33 8.227 -0.595 0.436 255 HG22 VAL 33 HG22 VAL 33 8.057 -2.147 -0.376 256 HG23 VAL 33 HG23 VAL 33 6.635 -1.150 -0.093 257 H GLY 34 HN GLY 34 8.860 -1.993 -4.472 258 HA2 GLY 34 HA2 GLY 34 9.267 -4.150 -5.282 259 HA3 GLY 34 HA1 GLY 34 9.696 -4.650 -3.656 260 H LEU 35 HN LEU 35 6.735 -2.929 -4.174 261 HA LEU 35 HA LEU 35 5.185 -5.062 -3.087 262 HG LEU 35 HG LEU 35 4.984 -3.098 -1.628 263 HB2 LEU 35 HB2 LEU 35 4.630 -2.334 -4.138 264 HB3 LEU 35 HB1 LEU 35 3.292 -3.461 -4.056 265 HD11 LEU 35 HD11 LEU 35 4.435 -0.974 -1.275 266 HD12 LEU 35 HD12 LEU 35 2.738 -1.315 -1.602 267 HD13 LEU 35 HD13 LEU 35 3.820 -0.906 -2.925 268 HD21 LEU 35 HD21 LEU 35 3.393 -4.673 -1.211 269 HD22 LEU 35 HD22 LEU 35 2.255 -3.973 -2.363 270 HD23 LEU 35 HD23 LEU 35 2.478 -3.226 -0.779 271 H LYS 36 HN LYS 36 6.037 -3.990 -6.272 272 HA LYS 36 HA LYS 36 4.117 -5.761 -7.549 273 HB2 LYS 36 HB2 LYS 36 6.259 -4.027 -8.771 274 HB3 LYS 36 HB1 LYS 36 4.919 -4.782 -9.620 275 HG2 LYS 36 HG2 LYS 36 3.650 -3.000 -9.252 276 HG3 LYS 36 HG1 LYS 36 3.901 -3.135 -7.510 277 HD2 LYS 36 HD2 LYS 36 4.620 -0.936 -8.554 278 HD3 LYS 36 HD1 LYS 36 5.834 -1.778 -7.587 279 HE2 LYS 36 HE2 LYS 36 5.859 -2.543 -10.400 280 HE3 LYS 36 HE1 LYS 36 6.196 -0.830 -10.145 281 HZ1 LYS 36 HZ1 LYS 36 8.031 -2.770 -10.020 282 HZ2 LYS 36 HZ2 LYS 36 7.607 -2.652 -8.387 283 HZ3 LYS 36 HZ3 LYS 36 8.174 -1.291 -9.216 284 H LYS 37 HN LYS 37 7.180 -6.018 -6.196 285 HA LYS 37 HA LYS 37 8.801 -7.354 -7.893 286 HB2 LYS 37 HB2 LYS 37 9.370 -6.796 -5.572 287 HB3 LYS 37 HB1 LYS 37 8.323 -8.084 -4.990 288 HG2 LYS 37 HG2 LYS 37 9.723 -9.741 -6.081 289 HG3 LYS 37 HG1 LYS 37 10.755 -8.466 -6.730 290 HD2 LYS 37 HD2 LYS 37 11.309 -7.779 -4.431 291 HD3 LYS 37 HD1 LYS 37 10.321 -9.106 -3.814 292 HE2 LYS 37 HE2 LYS 37 12.757 -9.385 -5.572 293 HE3 LYS 37 HE1 LYS 37 12.699 -9.684 -3.835 294 HZ1 LYS 37 HZ1 LYS 37 11.153 -11.171 -5.890 295 HZ2 LYS 37 HZ2 LYS 37 11.119 -11.465 -4.225 296 HZ3 LYS 37 HZ3 LYS 37 12.539 -11.738 -5.101 297 H LYS 38 HN LYS 38 5.825 -8.586 -6.537 298 HA LYS 38 HA LYS 38 6.236 -11.011 -8.131 299 HB2 LYS 38 HB2 LYS 38 5.176 -10.924 -5.308 300 HB3 LYS 38 HB1 LYS 38 5.159 -12.351 -6.337 301 HG2 LYS 38 HG2 LYS 38 7.544 -12.436 -6.367 302 HG3 LYS 38 HG1 LYS 38 7.658 -10.878 -5.544 303 HD2 LYS 38 HD2 LYS 38 6.304 -11.997 -3.675 304 HD3 LYS 38 HD1 LYS 38 6.741 -13.519 -4.457 305 HE2 LYS 38 HE2 LYS 38 9.112 -12.948 -4.243 306 HE3 LYS 38 HE1 LYS 38 8.676 -11.430 -3.458 307 HZ1 LYS 38 HZ1 LYS 38 9.286 -13.096 -1.834 308 HZ2 LYS 38 HZ2 LYS 38 8.101 -14.153 -2.420 309 HZ3 LYS 38 HZ3 LYS 38 7.648 -12.705 -1.674 310 H SER 39 HN SER 39 3.422 -10.773 -6.075 311 HA SER 39 HA SER 39 1.822 -9.648 -8.232 312 HG SER 39 HG SER 39 2.928 -12.191 -8.815 313 HB2 SER 39 HB2 SER 39 1.337 -12.413 -7.107 314 HB3 SER 39 HB1 SER 39 0.237 -11.553 -8.184 315 H ALA 40 HN ALA 40 -0.634 -9.791 -7.457 316 HA ALA 40 HA ALA 40 -0.847 -8.152 -5.187 317 HB1 ALA 40 HB1 ALA 40 -3.168 -9.756 -6.159 318 HB2 ALA 40 HB2 ALA 40 -2.450 -8.536 -7.211 319 HB3 ALA 40 HB3 ALA 40 -3.104 -8.070 -5.639 320 H ASP 41 HN ASP 41 -1.053 -11.619 -5.612 321 HA ASP 41 HA ASP 41 -2.263 -12.269 -3.153 322 HB2 ASP 41 HB2 ASP 41 -1.271 -14.529 -3.521 323 HB3 ASP 41 HB1 ASP 41 -2.151 -13.915 -4.917 324 H ASP 42 HN ASP 42 1.086 -11.707 -4.076 325 HA ASP 42 HA ASP 42 2.225 -12.585 -1.622 326 HB2 ASP 42 HB2 ASP 42 3.315 -10.702 -3.727 327 HB3 ASP 42 HB1 ASP 42 4.253 -11.389 -2.404 328 H VAL 43 HN VAL 43 1.567 -9.344 -2.935 329 HA VAL 43 HA VAL 43 2.333 -7.884 -0.667 330 HB VAL 43 HB VAL 43 0.991 -6.041 -1.612 331 HG11 VAL 43 HG11 VAL 43 2.918 -7.608 -3.210 332 HG12 VAL 43 HG12 VAL 43 2.983 -5.921 -2.693 333 HG13 VAL 43 HG13 VAL 43 1.998 -6.383 -4.082 334 HG21 VAL 43 HG21 VAL 43 -0.004 -8.187 -3.467 335 HG22 VAL 43 HG22 VAL 43 -0.203 -6.462 -3.773 336 HG23 VAL 43 HG23 VAL 43 -0.957 -7.201 -2.359 337 H LYS 44 HN LYS 44 -0.682 -9.395 -1.569 338 HA LYS 44 HA LYS 44 -2.461 -8.290 0.212 339 HB2 LYS 44 HB2 LYS 44 -2.264 -10.893 -1.184 340 HB3 LYS 44 HB1 LYS 44 -3.395 -10.795 0.162 341 HG2 LYS 44 HG2 LYS 44 -4.517 -8.920 -0.886 342 HG3 LYS 44 HG1 LYS 44 -3.360 -8.949 -2.215 343 HD2 LYS 44 HD2 LYS 44 -4.333 -11.556 -2.056 344 HD3 LYS 44 HD1 LYS 44 -5.746 -10.530 -1.806 345 HE2 LYS 44 HE2 LYS 44 -3.815 -10.408 -4.119 346 HE3 LYS 44 HE1 LYS 44 -5.476 -11.000 -4.163 347 HZ1 LYS 44 HZ1 LYS 44 -5.353 -8.762 -5.016 348 HZ2 LYS 44 HZ2 LYS 44 -4.632 -8.213 -3.589 349 HZ3 LYS 44 HZ3 LYS 44 -6.230 -8.769 -3.568 350 H LYS 45 HN LYS 45 0.159 -10.438 0.924 351 HA LYS 45 HA LYS 45 -0.854 -11.696 3.215 352 HB2 LYS 45 HB2 LYS 45 1.847 -11.204 2.102 353 HB3 LYS 45 HB1 LYS 45 1.764 -11.552 3.825 354 HG2 LYS 45 HG2 LYS 45 2.137 -13.577 2.538 355 HG3 LYS 45 HG1 LYS 45 0.573 -13.627 3.353 356 HD2 LYS 45 HD2 LYS 45 -0.526 -12.953 1.266 357 HD3 LYS 45 HD1 LYS 45 1.041 -12.926 0.454 358 HE2 LYS 45 HE2 LYS 45 1.318 -15.307 0.878 359 HE3 LYS 45 HE1 LYS 45 -0.215 -15.346 1.746 360 HZ1 LYS 45 HZ1 LYS 45 -1.350 -14.733 -0.294 361 HZ2 LYS 45 HZ2 LYS 45 -0.450 -16.147 -0.523 362 HZ3 LYS 45 HZ3 LYS 45 0.122 -14.676 -1.129 363 H VAL 46 HN VAL 46 0.408 -8.512 2.652 364 HA VAL 46 HA VAL 46 0.555 -7.875 5.460 365 HB VAL 46 HB VAL 46 1.920 -6.832 3.444 366 HG11 VAL 46 HG11 VAL 46 1.073 -4.673 2.703 367 HG12 VAL 46 HG12 VAL 46 -0.439 -4.967 3.567 368 HG13 VAL 46 HG13 VAL 46 0.007 -5.986 2.196 369 HG21 VAL 46 HG21 VAL 46 2.363 -4.859 4.804 370 HG22 VAL 46 HG22 VAL 46 2.252 -6.315 5.792 371 HG23 VAL 46 HG23 VAL 46 0.905 -5.178 5.745 372 H PHE 47 HN PHE 47 -1.629 -7.559 2.761 373 HA PHE 47 HA PHE 47 -3.439 -5.720 3.745 374 HD1 PHE 47 HD1 PHE 47 -5.504 -4.817 2.531 375 HD2 PHE 47 HD2 PHE 47 -5.936 -9.000 1.912 376 HE1 PHE 47 HE1 PHE 47 -7.951 -4.554 2.519 377 HE2 PHE 47 HE2 PHE 47 -8.383 -8.752 1.906 378 HZ PHE 47 HZ PHE 47 -9.394 -6.529 2.208 379 HB2 PHE 47 HB2 PHE 47 -3.659 -6.421 1.475 380 HB3 PHE 47 HB1 PHE 47 -3.845 -8.097 1.958 381 H HIS 48 HN HIS 48 -3.019 -9.105 4.457 382 HA HIS 48 HA HIS 48 -5.444 -9.397 5.929 383 HD1 HIS 48 HD1 HIS 48 -3.347 -11.262 8.647 384 HD2 HIS 48 HD2 HIS 48 -6.170 -12.977 6.124 385 HE1 HIS 48 HE1 HIS 48 -4.643 -12.870 10.081 386 HE2 HIS 48 HE2 HIS 48 -6.304 -13.942 8.519 387 HB2 HIS 48 HB2 HIS 48 -4.310 -11.353 4.979 388 HB3 HIS 48 HB1 HIS 48 -2.896 -11.041 5.980 389 H ILE 49 HN ILE 49 -2.243 -8.266 6.575 390 HA ILE 49 HA ILE 49 -2.410 -8.342 9.439 391 HB ILE 49 HB ILE 49 -0.585 -6.622 7.759 392 HG12 ILE 49 HG12 ILE 49 -0.457 -8.947 6.976 393 HG13 ILE 49 HG11 ILE 49 1.028 -8.457 7.780 394 HG21 ILE 49 HG21 ILE 49 0.941 -6.899 9.692 395 HG22 ILE 49 HG22 ILE 49 -0.338 -7.770 10.537 396 HG23 ILE 49 HG23 ILE 49 -0.564 -6.076 10.103 397 HD11 ILE 49 HD11 ILE 49 0.383 -9.668 9.766 398 HD12 ILE 49 HD12 ILE 49 0.348 -10.728 8.357 399 HD13 ILE 49 HD13 ILE 49 -1.159 -10.101 9.027 400 H LEU 50 HN LEU 50 -2.560 -5.852 6.938 401 HA LEU 50 HA LEU 50 -3.230 -3.766 8.777 402 HG LEU 50 HG LEU 50 -1.148 -4.507 6.228 403 HB2 LEU 50 HB2 LEU 50 -3.353 -3.749 5.776 404 HB3 LEU 50 HB1 LEU 50 -3.175 -2.374 6.829 405 HD11 LEU 50 HD11 LEU 50 -0.970 -1.516 5.937 406 HD12 LEU 50 HD12 LEU 50 -1.453 -2.603 4.636 407 HD13 LEU 50 HD13 LEU 50 0.161 -2.728 5.335 408 HD21 LEU 50 HD21 LEU 50 0.264 -3.731 7.902 409 HD22 LEU 50 HD22 LEU 50 -1.303 -3.774 8.699 410 HD23 LEU 50 HD23 LEU 50 -0.650 -2.241 8.124 411 H ASP 51 HN ASP 51 -4.991 -5.663 6.337 412 HA ASP 51 HA ASP 51 -7.485 -4.400 7.248 413 HB2 ASP 51 HB2 ASP 51 -6.878 -4.358 4.802 414 HB3 ASP 51 HB1 ASP 51 -7.120 -6.094 4.823 415 H LYS 52 HN LYS 52 -6.496 -6.196 9.035 416 HA LYS 52 HA LYS 52 -7.392 -8.845 8.566 417 HB2 LYS 52 HB2 LYS 52 -6.716 -9.341 10.777 418 HB3 LYS 52 HB1 LYS 52 -5.564 -8.175 10.154 419 HG2 LYS 52 HG2 LYS 52 -7.868 -7.411 11.925 420 HG3 LYS 52 HG1 LYS 52 -6.279 -7.856 12.531 421 HD2 LYS 52 HD2 LYS 52 -5.322 -6.042 11.078 422 HD3 LYS 52 HD1 LYS 52 -6.977 -5.517 10.767 423 HE2 LYS 52 HE2 LYS 52 -7.327 -5.182 13.160 424 HE3 LYS 52 HE1 LYS 52 -5.679 -5.718 13.480 425 HZ1 LYS 52 HZ1 LYS 52 -6.431 -3.331 11.880 426 HZ2 LYS 52 HZ2 LYS 52 -4.853 -3.836 12.221 427 HZ3 LYS 52 HZ3 LYS 52 -5.859 -3.305 13.472 428 H ASP 53 HN ASP 53 -8.753 -6.198 10.544 429 HA ASP 53 HA ASP 53 -11.277 -7.714 10.592 430 HB2 ASP 53 HB2 ASP 53 -11.825 -6.520 12.674 431 HB3 ASP 53 HB1 ASP 53 -10.336 -7.450 12.825 432 H LYS 54 HN LYS 54 -10.165 -5.620 8.646 433 HA LYS 54 HA LYS 54 -12.100 -3.480 8.992 434 HB2 LYS 54 HB2 LYS 54 -10.115 -3.794 6.771 435 HB3 LYS 54 HB1 LYS 54 -11.013 -2.356 7.231 436 HG2 LYS 54 HG2 LYS 54 -9.833 -2.373 9.411 437 HG3 LYS 54 HG1 LYS 54 -8.849 -3.710 8.815 438 HD2 LYS 54 HD2 LYS 54 -7.899 -2.350 7.106 439 HD3 LYS 54 HD1 LYS 54 -9.054 -1.053 7.412 440 HE2 LYS 54 HE2 LYS 54 -6.995 -2.014 9.393 441 HE3 LYS 54 HE1 LYS 54 -6.790 -0.615 8.340 442 HZ1 LYS 54 HZ1 LYS 54 -7.534 0.047 10.531 443 HZ2 LYS 54 HZ2 LYS 54 -8.899 -0.942 10.405 444 HZ3 LYS 54 HZ3 LYS 54 -8.730 0.395 9.384 445 H SER 55 HN SER 55 -12.577 -6.437 8.035 446 HA SER 55 HA SER 55 -14.182 -7.456 6.793 447 HG SER 55 HG SER 55 -16.768 -5.638 7.810 448 HB2 SER 55 HB2 SER 55 -15.102 -4.634 6.212 449 HB3 SER 55 HB1 SER 55 -16.021 -6.100 5.869 450 H GLY 56 HN GLY 56 -11.622 -6.859 5.617 451 HA2 GLY 56 HA2 GLY 56 -10.648 -7.245 3.566 452 HA3 GLY 56 HA1 GLY 56 -12.256 -7.496 2.909 453 H PHE 57 HN PHE 57 -12.233 -4.517 4.407 454 HA PHE 57 HA PHE 57 -11.179 -3.117 2.067 455 HD1 PHE 57 HD1 PHE 57 -12.623 -2.857 -0.250 456 HD2 PHE 57 HD2 PHE 57 -15.156 -4.524 2.735 457 HE1 PHE 57 HE1 PHE 57 -13.576 -4.392 -1.922 458 HE2 PHE 57 HE2 PHE 57 -16.111 -6.062 1.071 459 HZ PHE 57 HZ PHE 57 -15.322 -5.997 -1.262 460 HB2 PHE 57 HB2 PHE 57 -13.932 -2.589 3.202 461 HB3 PHE 57 HB1 PHE 57 -13.155 -1.669 1.913 462 H ILE 58 HN ILE 58 -10.133 -1.300 2.532 463 HA ILE 58 HA ILE 58 -10.128 -0.411 5.340 464 HB ILE 58 HB ILE 58 -8.086 0.361 3.274 465 HG12 ILE 58 HG12 ILE 58 -7.917 -2.022 5.127 466 HG13 ILE 58 HG11 ILE 58 -8.280 -2.137 3.408 467 HG21 ILE 58 HG21 ILE 58 -6.688 0.676 5.265 468 HG22 ILE 58 HG22 ILE 58 -8.035 0.152 6.277 469 HG23 ILE 58 HG23 ILE 58 -8.161 1.643 5.349 470 HD11 ILE 58 HD11 ILE 58 -5.759 -0.928 4.514 471 HD12 ILE 58 HD12 ILE 58 -6.121 -1.311 2.830 472 HD13 ILE 58 HD13 ILE 58 -5.916 -2.609 4.005 473 H GLU 59 HN GLU 59 -10.437 1.684 5.862 474 HA GLU 59 HA GLU 59 -11.747 3.280 3.797 475 HB2 GLU 59 HB2 GLU 59 -12.084 2.863 6.698 476 HB3 GLU 59 HB1 GLU 59 -12.454 4.480 6.087 477 HG2 GLU 59 HG2 GLU 59 -13.923 3.304 4.368 478 HG3 GLU 59 HG1 GLU 59 -13.726 1.860 5.361 479 H GLU 60 HN GLU 60 -11.063 5.162 3.222 480 HA GLU 60 HA GLU 60 -8.599 6.102 3.219 481 HB2 GLU 60 HB2 GLU 60 -9.488 8.376 2.889 482 HB3 GLU 60 HB1 GLU 60 -10.357 7.155 1.962 483 HG2 GLU 60 HG2 GLU 60 -12.250 7.363 3.186 484 HG3 GLU 60 HG1 GLU 60 -11.365 7.800 4.646 485 H ASP 61 HN ASP 61 -10.749 6.511 5.963 486 HA ASP 61 HA ASP 61 -9.109 8.413 7.302 487 HB2 ASP 61 HB2 ASP 61 -11.188 6.517 8.431 488 HB3 ASP 61 HB1 ASP 61 -10.492 7.895 9.282 489 H GLU 62 HN GLU 62 -9.589 4.918 7.756 490 HA GLU 62 HA GLU 62 -7.327 4.759 9.551 491 HB2 GLU 62 HB2 GLU 62 -9.024 2.559 8.355 492 HB3 GLU 62 HB1 GLU 62 -7.857 2.367 9.655 493 HG2 GLU 62 HG2 GLU 62 -10.394 3.981 9.751 494 HG3 GLU 62 HG1 GLU 62 -10.103 2.428 10.535 495 H LEU 63 HN LEU 63 -7.890 4.560 6.191 496 HA LEU 63 HA LEU 63 -6.059 2.756 5.237 497 HG LEU 63 HG LEU 63 -6.473 4.236 1.902 498 HB2 LEU 63 HB2 LEU 63 -7.702 4.603 4.167 499 HB3 LEU 63 HB1 LEU 63 -6.157 5.367 3.869 500 HD11 LEU 63 HD11 LEU 63 -5.355 1.794 2.362 501 HD12 LEU 63 HD12 LEU 63 -4.765 2.727 3.732 502 HD13 LEU 63 HD13 LEU 63 -4.469 3.288 2.091 503 HD21 LEU 63 HD21 LEU 63 -7.382 1.801 1.962 504 HD22 LEU 63 HD22 LEU 63 -8.485 3.166 2.121 505 HD23 LEU 63 HD23 LEU 63 -7.978 2.273 3.551 506 H GLY 64 HN GLY 64 -5.537 6.178 5.882 507 HA2 GLY 64 HA2 GLY 64 -2.758 6.139 5.355 508 HA3 GLY 64 HA1 GLY 64 -3.634 7.414 6.196 509 H SER 65 HN SER 65 -4.547 5.185 8.121 510 HA SER 65 HA SER 65 -2.291 5.538 9.926 511 HG SER 65 HG SER 65 -4.391 4.689 12.615 512 HB2 SER 65 HB2 SER 65 -4.608 5.919 10.735 513 HB3 SER 65 HB1 SER 65 -4.980 4.228 10.399 514 H ILE 66 HN ILE 66 -4.336 2.883 8.817 515 HA ILE 66 HA ILE 66 -2.717 0.820 9.810 516 HB ILE 66 HB ILE 66 -5.124 0.653 9.159 517 HG12 ILE 66 HG12 ILE 66 -4.705 -1.670 7.999 518 HG13 ILE 66 HG11 ILE 66 -3.036 -1.289 8.404 519 HG21 ILE 66 HG21 ILE 66 -4.181 0.123 6.374 520 HG22 ILE 66 HG22 ILE 66 -4.653 1.741 6.892 521 HG23 ILE 66 HG23 ILE 66 -5.819 0.421 6.960 522 HD11 ILE 66 HD11 ILE 66 -4.127 -2.673 10.108 523 HD12 ILE 66 HD12 ILE 66 -5.297 -1.381 10.376 524 HD13 ILE 66 HD13 ILE 66 -3.592 -1.115 10.740 525 H LEU 67 HN LEU 67 -2.323 2.826 7.034 526 HA LEU 67 HA LEU 67 -0.996 1.185 5.218 527 HG LEU 67 HG LEU 67 -0.528 2.307 3.318 528 HB2 LEU 67 HB2 LEU 67 -1.292 3.986 5.670 529 HB3 LEU 67 HB1 LEU 67 0.396 3.665 5.340 530 HD11 LEU 67 HD11 LEU 67 -2.559 3.213 2.382 531 HD12 LEU 67 HD12 LEU 67 -2.785 4.194 3.826 532 HD13 LEU 67 HD13 LEU 67 -2.855 2.438 3.938 533 HD21 LEU 67 HD21 LEU 67 -0.718 4.612 2.081 534 HD22 LEU 67 HD22 LEU 67 0.821 4.050 2.729 535 HD23 LEU 67 HD23 LEU 67 -0.132 5.232 3.626 536 H LYS 68 HN LYS 68 -0.002 2.270 8.324 537 HA LYS 68 HA LYS 68 2.715 2.285 8.182 538 HB2 LYS 68 HB2 LYS 68 1.000 1.180 10.397 539 HB3 LYS 68 HB1 LYS 68 2.695 1.638 10.543 540 HG2 LYS 68 HG2 LYS 68 2.242 3.894 10.355 541 HG3 LYS 68 HG1 LYS 68 0.696 3.621 9.541 542 HD2 LYS 68 HD2 LYS 68 0.329 4.406 11.814 543 HD3 LYS 68 HD1 LYS 68 -0.220 2.735 11.656 544 HE2 LYS 68 HE2 LYS 68 1.878 1.960 12.658 545 HE3 LYS 68 HE1 LYS 68 2.413 3.631 12.824 546 HZ1 LYS 68 HZ1 LYS 68 1.513 2.802 14.896 547 HZ2 LYS 68 HZ2 LYS 68 0.044 2.424 14.148 548 HZ3 LYS 68 HZ3 LYS 68 0.527 4.038 14.294 549 H GLY 69 HN GLY 69 0.659 -0.497 7.696 550 HA2 GLY 69 HA2 GLY 69 2.123 -2.658 8.440 551 HA3 GLY 69 HA1 GLY 69 1.336 -2.563 6.867 552 H PHE 70 HN PHE 70 2.702 -0.768 5.512 553 HA PHE 70 HA PHE 70 5.359 -1.947 5.275 554 HD1 PHE 70 HD2 PHE 70 2.109 -2.313 3.644 555 HD2 PHE 70 HD1 PHE 70 3.849 1.416 2.545 556 HE1 PHE 70 HE2 PHE 70 -0.102 -1.488 2.955 557 HE2 PHE 70 HE1 PHE 70 1.632 2.253 1.844 558 HZ PHE 70 HZ PHE 70 -0.341 0.790 2.053 559 HB2 PHE 70 HB2 PHE 70 5.217 -0.367 3.108 560 HB3 PHE 70 HB1 PHE 70 4.600 -2.012 3.126 561 H SER 71 HN SER 71 3.733 1.176 5.223 562 HA SER 71 HA SER 71 6.059 2.792 5.307 563 HG SER 71 HG SER 71 2.714 3.673 6.695 564 HB2 SER 71 HB2 SER 71 4.404 4.646 5.698 565 HB3 SER 71 HB1 SER 71 4.124 3.674 4.253 566 H SER 72 HN SER 72 4.960 0.952 7.797 567 HA SER 72 HA SER 72 4.573 2.532 9.991 568 HG SER 72 HG SER 72 7.111 -0.341 9.771 569 HB2 SER 72 HB2 SER 72 6.004 0.732 11.242 570 HB3 SER 72 HB1 SER 72 4.490 0.259 10.478 571 H ASP 73 HN ASP 73 7.538 2.254 8.181 572 HA ASP 73 HA ASP 73 8.814 4.017 10.161 573 HB2 ASP 73 HB2 ASP 73 10.989 3.128 9.134 574 HB3 ASP 73 HB1 ASP 73 10.087 2.075 10.216 575 H ALA 74 HN ALA 74 7.260 5.319 8.410 576 HA ALA 74 HA ALA 74 9.157 6.907 6.964 577 HB1 ALA 74 HB1 ALA 74 7.812 6.618 4.769 578 HB2 ALA 74 HB2 ALA 74 7.340 5.068 5.469 579 HB3 ALA 74 HB3 ALA 74 9.045 5.436 5.200 580 H ARG 75 HN ARG 75 5.825 6.574 5.865 581 HA ARG 75 HA ARG 75 4.946 8.820 7.478 582 HE ARG 75 HE ARG 75 4.591 12.358 4.443 583 HB2 ARG 75 HB2 ARG 75 5.020 8.999 4.460 584 HB3 ARG 75 HB1 ARG 75 4.294 10.182 5.536 585 HG2 ARG 75 HG2 ARG 75 6.565 10.483 6.569 586 HG3 ARG 75 HG1 ARG 75 7.204 9.500 5.249 587 HD2 ARG 75 HD2 ARG 75 7.416 11.885 4.765 588 HD3 ARG 75 HD1 ARG 75 6.324 11.092 3.624 589 HH11 ARG 75 HH11 ARG 75 7.330 12.618 6.578 590 HH12 ARG 75 HH12 ARG 75 6.642 13.901 7.516 591 HH21 ARG 75 HH21 ARG 75 3.675 14.047 5.672 592 HH22 ARG 75 HH22 ARG 75 4.564 14.714 7.000 593 H ASP 76 HN ASP 76 2.632 9.505 6.222 594 HA ASP 76 HA ASP 76 1.172 6.966 5.937 595 HB2 ASP 76 HB2 ASP 76 -0.703 8.018 7.195 596 HB3 ASP 76 HB1 ASP 76 0.748 7.789 8.165 597 H LEU 77 HN LEU 77 -0.671 6.979 4.648 598 HA LEU 77 HA LEU 77 -0.597 8.705 2.390 599 HG LEU 77 HG LEU 77 -3.957 7.601 3.212 600 HB2 LEU 77 HB2 LEU 77 -1.578 6.912 1.533 601 HB3 LEU 77 HB1 LEU 77 -1.723 6.221 3.130 602 HD11 LEU 77 HD11 LEU 77 -4.903 7.392 0.795 603 HD12 LEU 77 HD12 LEU 77 -3.215 7.566 0.329 604 HD13 LEU 77 HD13 LEU 77 -4.011 8.834 1.270 605 HD21 LEU 77 HD21 LEU 77 -4.288 5.372 3.403 606 HD22 LEU 77 HD22 LEU 77 -3.257 4.993 2.024 607 HD23 LEU 77 HD23 LEU 77 -4.903 5.575 1.760 608 H SER 78 HN SER 78 -1.255 10.733 2.390 609 HA SER 78 HA SER 78 -3.395 11.566 4.219 610 HG SER 78 HG SER 78 -2.459 14.429 4.852 611 HB2 SER 78 HB2 SER 78 -1.265 12.767 4.433 612 HB3 SER 78 HB1 SER 78 -1.352 13.234 2.734 613 H ALA 79 HN ALA 79 -4.146 13.936 2.995 614 HA ALA 79 HA ALA 79 -6.253 13.236 1.393 615 HB1 ALA 79 HB1 ALA 79 -6.443 15.546 0.787 616 HB2 ALA 79 HB2 ALA 79 -4.738 15.827 1.148 617 HB3 ALA 79 HB3 ALA 79 -5.868 15.460 2.454 618 H LYS 80 HN LYS 80 -3.110 14.471 0.243 619 HA LYS 80 HA LYS 80 -3.578 14.333 -2.482 620 HB2 LYS 80 HB2 LYS 80 -1.564 15.349 -1.556 621 HB3 LYS 80 HB1 LYS 80 -1.007 13.782 -0.983 622 HG2 LYS 80 HG2 LYS 80 0.232 14.086 -2.900 623 HG3 LYS 80 HG1 LYS 80 -1.115 13.100 -3.473 624 HD2 LYS 80 HD2 LYS 80 -0.757 14.858 -5.057 625 HD3 LYS 80 HD1 LYS 80 -2.253 15.206 -4.189 626 HE2 LYS 80 HE2 LYS 80 -1.150 16.835 -2.818 627 HE3 LYS 80 HE1 LYS 80 0.425 16.388 -3.470 628 HZ1 LYS 80 HZ1 LYS 80 -0.299 17.190 -5.641 629 HZ2 LYS 80 HZ2 LYS 80 -0.386 18.418 -4.480 630 HZ3 LYS 80 HZ3 LYS 80 -1.797 17.642 -4.996 631 H GLU 81 HN GLU 81 -2.304 11.836 -0.340 632 HA GLU 81 HA GLU 81 -2.134 9.822 -2.331 633 HB2 GLU 81 HB2 GLU 81 -2.282 9.384 0.628 634 HB3 GLU 81 HB1 GLU 81 -1.487 8.371 -0.556 635 HG2 GLU 81 HG2 GLU 81 -0.631 11.090 0.392 636 HG3 GLU 81 HG1 GLU 81 0.180 9.550 0.671 637 H THR 82 HN THR 82 -4.670 10.971 -0.229 638 HA THR 82 HA THR 82 -6.303 8.673 -0.271 639 HB THR 82 HB THR 82 -7.046 11.609 -0.146 640 HG1 THR 82 HG1 THR 82 -7.291 11.148 2.071 641 HG21 THR 82 HG21 THR 82 -8.837 9.250 0.444 642 HG22 THR 82 HG22 THR 82 -8.921 10.227 -1.018 643 HG23 THR 82 HG23 THR 82 -9.262 10.957 0.551 644 H LYS 83 HN LYS 83 -6.183 11.545 -2.297 645 HA LYS 83 HA LYS 83 -7.915 10.476 -4.301 646 HB2 LYS 83 HB2 LYS 83 -6.088 12.880 -4.416 647 HB3 LYS 83 HB1 LYS 83 -7.382 12.509 -5.547 648 HG2 LYS 83 HG2 LYS 83 -8.739 12.492 -3.208 649 HG3 LYS 83 HG1 LYS 83 -7.494 13.695 -2.866 650 HD2 LYS 83 HD2 LYS 83 -9.383 14.839 -3.778 651 HD3 LYS 83 HD1 LYS 83 -8.116 14.828 -5.007 652 HE2 LYS 83 HE2 LYS 83 -10.272 14.315 -6.005 653 HE3 LYS 83 HE1 LYS 83 -9.202 12.917 -6.097 654 HZ1 LYS 83 HZ1 LYS 83 -11.454 12.311 -5.421 655 HZ2 LYS 83 HZ2 LYS 83 -11.328 13.308 -4.060 656 HZ3 LYS 83 HZ3 LYS 83 -10.329 11.950 -4.210 657 H THR 84 HN THR 84 -4.456 10.533 -3.737 658 HA THR 84 HA THR 84 -3.875 9.815 -6.468 659 HB THR 84 HB THR 84 -1.973 10.093 -4.166 660 HG1 THR 84 HG1 THR 84 -1.518 12.111 -5.166 661 HG21 THR 84 HG21 THR 84 -1.120 8.642 -5.957 662 HG22 THR 84 HG22 THR 84 -0.233 10.165 -5.871 663 HG23 THR 84 HG23 THR 84 -1.442 9.918 -7.130 664 H LEU 85 HN LEU 85 -3.227 8.306 -3.307 665 HA LEU 85 HA LEU 85 -2.502 5.832 -4.586 666 HG LEU 85 HG LEU 85 -0.314 5.821 -1.711 667 HB2 LEU 85 HB2 LEU 85 -2.620 6.752 -1.768 668 HB3 LEU 85 HB1 LEU 85 -2.506 5.045 -2.117 669 HD11 LEU 85 HD11 LEU 85 -0.682 4.305 -3.666 670 HD12 LEU 85 HD12 LEU 85 0.799 5.254 -3.706 671 HD13 LEU 85 HD13 LEU 85 -0.569 5.730 -4.702 672 HD21 LEU 85 HD21 LEU 85 0.309 7.685 -3.660 673 HD22 LEU 85 HD22 LEU 85 0.082 7.996 -1.940 674 HD23 LEU 85 HD23 LEU 85 -1.265 8.201 -3.058 675 H MET 86 HN MET 86 -5.173 6.707 -2.304 676 HA MET 86 HA MET 86 -6.361 4.152 -2.488 677 HB2 MET 86 HB2 MET 86 -8.007 6.645 -2.112 678 HB3 MET 86 HB1 MET 86 -8.322 5.031 -1.514 679 HG2 MET 86 HG2 MET 86 -6.460 5.205 0.028 680 HG3 MET 86 HG1 MET 86 -6.103 6.819 -0.580 681 HE1 MET 86 HE1 MET 86 -6.399 8.283 1.627 682 HE2 MET 86 HE2 MET 86 -6.321 6.700 2.399 683 HE3 MET 86 HE3 MET 86 -7.577 7.844 2.861 684 H ALA 87 HN ALA 87 -7.118 7.132 -4.258 685 HA ALA 87 HA ALA 87 -9.109 6.078 -5.898 686 HB1 ALA 87 HB1 ALA 87 -7.308 8.119 -7.060 687 HB2 ALA 87 HB2 ALA 87 -8.137 8.533 -5.557 688 HB3 ALA 87 HB3 ALA 87 -9.070 8.070 -6.984 689 H ALA 88 HN ALA 88 -5.662 5.689 -6.011 690 HA ALA 88 HA ALA 88 -5.616 4.807 -8.765 691 HB1 ALA 88 HB1 ALA 88 -3.678 5.952 -7.919 692 HB2 ALA 88 HB2 ALA 88 -3.238 4.286 -8.294 693 HB3 ALA 88 HB3 ALA 88 -3.497 4.775 -6.620 694 H GLY 89 HN GLY 89 -4.640 3.190 -5.725 695 HA2 GLY 89 HA2 GLY 89 -4.563 0.601 -6.687 696 HA3 GLY 89 HA1 GLY 89 -4.932 1.023 -5.022 697 H ASP 90 HN ASP 90 -7.282 2.509 -5.630 698 HA ASP 90 HA ASP 90 -9.133 0.289 -5.981 699 HB2 ASP 90 HB2 ASP 90 -9.378 1.651 -3.951 700 HB3 ASP 90 HB1 ASP 90 -9.607 3.095 -4.935 701 H LYS 91 HN LYS 91 -7.881 1.213 -8.268 702 HA LYS 91 HA LYS 91 -8.739 3.041 -9.952 703 HB2 LYS 91 HB2 LYS 91 -7.304 1.075 -10.443 704 HB3 LYS 91 HB1 LYS 91 -8.759 0.117 -10.657 705 HG2 LYS 91 HG2 LYS 91 -8.143 2.558 -12.246 706 HG3 LYS 91 HG1 LYS 91 -7.670 0.947 -12.750 707 HD2 LYS 91 HD2 LYS 91 -10.353 0.715 -12.116 708 HD3 LYS 91 HD1 LYS 91 -10.241 2.276 -12.928 709 HE2 LYS 91 HE2 LYS 91 -10.689 0.527 -14.545 710 HE3 LYS 91 HE1 LYS 91 -9.078 1.194 -14.804 711 HZ1 LYS 91 HZ1 LYS 91 -9.664 -1.323 -13.340 712 HZ2 LYS 91 HZ2 LYS 91 -8.129 -0.699 -13.676 713 HZ3 LYS 91 HZ3 LYS 91 -9.116 -1.234 -14.939 714 H ASP 92 HN ASP 92 -10.810 0.412 -8.882 715 HA ASP 92 HA ASP 92 -12.872 0.650 -10.724 716 HB2 ASP 92 HB2 ASP 92 -12.706 -1.147 -9.021 717 HB3 ASP 92 HB1 ASP 92 -13.169 0.014 -7.781 718 H GLY 93 HN GLY 93 -11.926 2.841 -8.250 719 HA2 GLY 93 HA2 GLY 93 -12.619 5.042 -8.009 720 HA3 GLY 93 HA1 GLY 93 -13.948 4.717 -9.106 721 H ASP 94 HN ASP 94 -13.035 3.260 -5.964 722 HA ASP 94 HA ASP 94 -15.742 3.962 -5.032 723 HB2 ASP 94 HB2 ASP 94 -13.988 1.665 -4.146 724 HB3 ASP 94 HB1 ASP 94 -15.588 2.034 -3.510 725 H GLY 95 HN GLY 95 -12.460 4.643 -4.571 726 HA2 GLY 95 HA2 GLY 95 -11.620 6.267 -3.104 727 HA3 GLY 95 HA1 GLY 95 -13.100 6.144 -2.169 728 H LYS 96 HN LYS 96 -12.771 3.166 -2.115 729 HA LYS 96 HA LYS 96 -10.740 3.041 0.006 730 HB2 LYS 96 HB2 LYS 96 -13.144 1.225 -0.197 731 HB3 LYS 96 HB1 LYS 96 -12.114 1.504 1.196 732 HG2 LYS 96 HG2 LYS 96 -12.966 3.799 1.358 733 HG3 LYS 96 HG1 LYS 96 -14.034 3.480 -0.011 734 HD2 LYS 96 HD2 LYS 96 -15.082 1.650 1.290 735 HD3 LYS 96 HD1 LYS 96 -14.072 2.094 2.669 736 HE2 LYS 96 HE2 LYS 96 -15.072 4.349 2.639 737 HE3 LYS 96 HE1 LYS 96 -16.117 3.845 1.308 738 HZ1 LYS 96 HZ1 LYS 96 -16.089 2.660 4.033 739 HZ2 LYS 96 HZ2 LYS 96 -17.086 2.168 2.758 740 HZ3 LYS 96 HZ3 LYS 96 -17.267 3.712 3.422 741 H ILE 97 HN ILE 97 -9.362 1.259 0.069 742 HA ILE 97 HA ILE 97 -9.331 -0.340 -2.398 743 HB ILE 97 HB ILE 97 -7.098 0.204 -0.437 744 HG12 ILE 97 HG12 ILE 97 -7.621 1.192 -3.247 745 HG13 ILE 97 HG11 ILE 97 -7.583 2.159 -1.774 746 HG21 ILE 97 HG21 ILE 97 -5.646 -0.923 -2.073 747 HG22 ILE 97 HG22 ILE 97 -7.070 -1.355 -3.019 748 HG23 ILE 97 HG23 ILE 97 -6.858 -2.012 -1.397 749 HD11 ILE 97 HD11 ILE 97 -5.553 2.303 -3.245 750 HD12 ILE 97 HD12 ILE 97 -5.200 0.634 -2.782 751 HD13 ILE 97 HD13 ILE 97 -5.250 1.902 -1.554 752 H GLY 98 HN GLY 98 -10.269 -2.256 -2.166 753 HA2 GLY 98 HA2 GLY 98 -10.148 -3.649 0.394 754 HA3 GLY 98 HA1 GLY 98 -11.138 -4.096 -0.988 755 H VAL 99 HN VAL 99 -10.331 -6.278 -0.568 756 HA VAL 99 HA VAL 99 -7.580 -6.900 -0.844 757 HB VAL 99 HB VAL 99 -9.315 -8.369 0.242 758 HG11 VAL 99 HG11 VAL 99 -10.704 -9.783 -1.030 759 HG12 VAL 99 HG12 VAL 99 -9.907 -9.335 -2.538 760 HG13 VAL 99 HG13 VAL 99 -10.929 -8.165 -1.700 761 HG21 VAL 99 HG21 VAL 99 -8.250 -10.462 -0.495 762 HG22 VAL 99 HG22 VAL 99 -7.079 -9.175 -0.207 763 HG23 VAL 99 HG23 VAL 99 -7.535 -9.599 -1.857 764 H GLU 100 HN GLU 100 -10.246 -6.721 -3.133 765 HA GLU 100 HA GLU 100 -8.804 -7.865 -5.318 766 HB2 GLU 100 HB2 GLU 100 -10.957 -6.056 -6.080 767 HB3 GLU 100 HB1 GLU 100 -10.731 -7.748 -6.480 768 HG2 GLU 100 HG2 GLU 100 -11.896 -6.637 -3.961 769 HG3 GLU 100 HG1 GLU 100 -12.796 -7.380 -5.280 770 H GLU 101 HN GLU 101 -9.856 -4.594 -4.513 771 HA GLU 101 HA GLU 101 -8.674 -3.219 -6.609 772 HB2 GLU 101 HB2 GLU 101 -9.313 -2.438 -3.788 773 HB3 GLU 101 HB1 GLU 101 -8.606 -1.295 -4.913 774 HG2 GLU 101 HG2 GLU 101 -11.082 -1.180 -4.716 775 HG3 GLU 101 HG1 GLU 101 -10.478 -1.415 -6.356 776 H PHE 102 HN PHE 102 -7.261 -4.263 -3.543 777 HA PHE 102 HA PHE 102 -4.881 -2.853 -3.578 778 HD1 PHE 102 HD2 PHE 102 -4.998 -2.671 -0.721 779 HD2 PHE 102 HD1 PHE 102 -2.490 -5.661 -2.377 780 HE1 PHE 102 HE2 PHE 102 -3.148 -1.897 0.707 781 HE2 PHE 102 HE1 PHE 102 -0.624 -4.909 -0.948 782 HZ PHE 102 HZ PHE 102 -0.956 -3.016 0.595 783 HB2 PHE 102 HB2 PHE 102 -5.879 -4.694 -1.922 784 HB3 PHE 102 HB1 PHE 102 -4.761 -5.724 -2.799 785 H SER 103 HN SER 103 -5.944 -5.454 -5.595 786 HA SER 103 HA SER 103 -3.377 -6.202 -6.588 787 HG SER 103 HG SER 103 -5.443 -8.853 -6.956 788 HB2 SER 103 HB2 SER 103 -6.134 -6.621 -7.770 789 HB3 SER 103 HB1 SER 103 -4.657 -7.400 -8.335 790 H THR 104 HN THR 104 -5.993 -4.098 -7.776 791 HA THR 104 HA THR 104 -4.828 -3.411 -10.218 792 HB THR 104 HB THR 104 -6.588 -1.628 -8.492 793 HG1 THR 104 HG1 THR 104 -7.362 -3.817 -9.261 794 HG21 THR 104 HG21 THR 104 -7.136 -0.904 -11.015 795 HG22 THR 104 HG22 THR 104 -5.465 -1.419 -11.241 796 HG23 THR 104 HG23 THR 104 -5.844 -0.153 -10.076 797 H LEU 105 HN LEU 105 -4.336 -2.122 -6.984 798 HA LEU 105 HA LEU 105 -2.878 0.157 -7.590 799 HG LEU 105 HG LEU 105 -2.945 1.358 -5.376 800 HB2 LEU 105 HB2 LEU 105 -3.665 -0.950 -5.318 801 HB3 LEU 105 HB1 LEU 105 -2.007 -1.504 -5.290 802 HD11 LEU 105 HD11 LEU 105 -1.665 1.423 -3.210 803 HD12 LEU 105 HD12 LEU 105 -1.663 -0.340 -3.272 804 HD13 LEU 105 HD13 LEU 105 -3.188 0.536 -3.192 805 HD21 LEU 105 HD21 LEU 105 -0.520 1.880 -5.171 806 HD22 LEU 105 HD22 LEU 105 -1.024 1.226 -6.732 807 HD23 LEU 105 HD23 LEU 105 -0.188 0.192 -5.570 808 H VAL 106 HN VAL 106 -1.878 -3.208 -7.417 809 HA VAL 106 HA VAL 106 0.901 -2.796 -7.635 810 HB VAL 106 HB VAL 106 -0.676 -5.171 -8.642 811 HG11 VAL 106 HG11 VAL 106 1.413 -6.403 -8.273 812 HG12 VAL 106 HG12 VAL 106 2.213 -4.899 -7.818 813 HG13 VAL 106 HG13 VAL 106 1.613 -5.114 -9.462 814 HG21 VAL 106 HG21 VAL 106 -1.206 -4.692 -6.306 815 HG22 VAL 106 HG22 VAL 106 0.513 -4.678 -5.914 816 HG23 VAL 106 HG23 VAL 106 -0.256 -6.171 -6.451 817 H ALA 107 HN ALA 107 -1.673 -3.103 -10.016 818 HA ALA 107 HA ALA 107 0.126 -3.057 -12.266 819 HB1 ALA 107 HB1 ALA 107 -2.870 -2.704 -12.192 820 HB2 ALA 107 HB2 ALA 107 -2.027 -4.242 -12.372 821 HB3 ALA 107 HB3 ALA 107 -1.889 -3.008 -13.625 822 H GLU 108 HN GLU 108 -1.659 -0.774 -10.359 823 HA GLU 108 HA GLU 108 -1.742 1.404 -12.112 824 HB2 GLU 108 HB2 GLU 108 -1.615 1.241 -9.108 825 HB3 GLU 108 HB1 GLU 108 -1.770 2.771 -9.966 826 HG2 GLU 108 HG2 GLU 108 -3.670 0.573 -10.576 827 HG3 GLU 108 HG1 GLU 108 -3.889 1.515 -9.100 828 H SER 109 HN SER 109 0.428 1.107 -9.322 829 HA SER 109 HA SER 109 2.235 3.067 -10.085 830 HG SER 109 HG SER 109 4.474 2.546 -8.939 831 HB2 SER 109 HB2 SER 109 2.393 2.362 -7.859 832 HB3 SER 109 HB1 SER 109 2.466 0.657 -8.302 Start of MODEL 7 1 HA SER 1 HA SER 1 5.075 -9.760 9.898 2 HG SER 1 HG SER 1 3.131 -8.607 11.259 3 H1 SER 1 HT1 SER 1 6.163 -7.086 9.241 4 H2 SER 1 HT2 SER 1 7.072 -8.436 9.701 5 H3 SER 1 HT3 SER 1 5.988 -7.734 10.794 6 HB2 SER 1 HB2 SER 1 3.705 -7.272 8.847 7 HB3 SER 1 HB1 SER 1 2.936 -8.840 9.092 8 H MET 2 HN MET 2 4.882 -7.381 7.257 9 HA MET 2 HA MET 2 4.852 -9.439 5.265 10 HB2 MET 2 HB2 MET 2 3.726 -7.141 5.150 11 HB3 MET 2 HB1 MET 2 5.320 -6.501 4.774 12 HG2 MET 2 HG2 MET 2 4.071 -6.850 2.746 13 HG3 MET 2 HG1 MET 2 5.430 -7.969 2.816 14 HE1 MET 2 HE1 MET 2 3.390 -8.049 0.881 15 HE2 MET 2 HE2 MET 2 2.111 -9.250 0.997 16 HE3 MET 2 HE3 MET 2 3.782 -9.765 0.772 17 H THR 3 HN THR 3 6.978 -10.257 6.303 18 HA THR 3 HA THR 3 9.261 -9.012 4.913 19 HB THR 3 HB THR 3 9.277 -10.646 7.458 20 HG1 THR 3 HG1 THR 3 9.972 -8.617 8.354 21 HG21 THR 3 HG21 THR 3 11.546 -9.324 5.969 22 HG22 THR 3 HG22 THR 3 11.290 -11.057 6.150 23 HG23 THR 3 HG23 THR 3 11.670 -10.070 7.562 24 H ASP 4 HN ASP 4 7.477 -11.942 5.487 25 HA ASP 4 HA ASP 4 9.430 -13.730 4.423 26 HB2 ASP 4 HB2 ASP 4 6.461 -14.053 4.883 27 HB3 ASP 4 HB1 ASP 4 7.530 -15.356 4.373 28 H LEU 5 HN LEU 5 7.085 -11.636 3.019 29 HA LEU 5 HA LEU 5 7.379 -13.005 0.430 30 HG LEU 5 HG LEU 5 5.307 -14.024 1.056 31 HB2 LEU 5 HB2 LEU 5 5.264 -11.073 1.378 32 HB3 LEU 5 HB1 LEU 5 5.367 -11.714 -0.253 33 HD11 LEU 5 HD11 LEU 5 5.310 -13.030 3.261 34 HD12 LEU 5 HD12 LEU 5 3.783 -13.850 2.967 35 HD13 LEU 5 HD13 LEU 5 3.868 -12.096 2.869 36 HD21 LEU 5 HD21 LEU 5 3.739 -13.310 -0.677 37 HD22 LEU 5 HD22 LEU 5 2.876 -12.324 0.503 38 HD23 LEU 5 HD23 LEU 5 2.899 -14.079 0.669 39 H LEU 6 HN LEU 6 6.807 -9.657 1.529 40 HA LEU 6 HA LEU 6 8.167 -8.582 -0.744 41 HG LEU 6 HG LEU 6 5.336 -8.087 0.674 42 HB2 LEU 6 HB2 LEU 6 7.304 -7.233 1.816 43 HB3 LEU 6 HB1 LEU 6 7.828 -6.412 0.358 44 HD11 LEU 6 HD11 LEU 6 5.323 -5.809 1.691 45 HD12 LEU 6 HD12 LEU 6 4.145 -6.029 0.398 46 HD13 LEU 6 HD13 LEU 6 5.638 -5.145 0.087 47 HD21 LEU 6 HD21 LEU 6 6.626 -6.833 -1.731 48 HD22 LEU 6 HD22 LEU 6 4.889 -7.128 -1.663 49 HD23 LEU 6 HD23 LEU 6 6.019 -8.477 -1.530 50 H SER 7 HN SER 7 10.216 -7.819 -0.915 51 HA SER 7 HA SER 7 12.181 -8.840 0.819 52 HG SER 7 HG SER 7 13.265 -8.474 -2.476 53 HB2 SER 7 HB2 SER 7 12.480 -6.600 -1.190 54 HB3 SER 7 HB1 SER 7 13.778 -7.591 -0.523 55 H ALA 8 HN ALA 8 12.471 -8.164 2.855 56 HA ALA 8 HA ALA 8 11.612 -5.786 3.976 57 HB1 ALA 8 HB1 ALA 8 12.519 -7.894 5.124 58 HB2 ALA 8 HB2 ALA 8 12.857 -6.337 5.874 59 HB3 ALA 8 HB3 ALA 8 14.106 -7.152 4.934 60 H GLU 9 HN GLU 9 14.418 -6.464 2.076 61 HA GLU 9 HA GLU 9 15.945 -4.172 2.743 62 HB2 GLU 9 HB2 GLU 9 17.089 -6.000 1.756 63 HB3 GLU 9 HB1 GLU 9 15.946 -6.105 0.429 64 HG2 GLU 9 HG2 GLU 9 18.080 -5.213 -0.299 65 HG3 GLU 9 HG1 GLU 9 16.788 -4.031 -0.489 66 H ASP 10 HN ASP 10 13.761 -4.924 0.043 67 HA ASP 10 HA ASP 10 13.978 -2.510 -1.349 68 HB2 ASP 10 HB2 ASP 10 11.663 -4.423 -1.087 69 HB3 ASP 10 HB1 ASP 10 11.745 -3.130 -2.286 70 H ILE 11 HN ILE 11 11.505 -3.524 0.980 71 HA ILE 11 HA ILE 11 10.014 -1.166 1.075 72 HB ILE 11 HB ILE 11 10.535 -3.239 3.199 73 HG12 ILE 11 HG12 ILE 11 7.970 -2.970 1.698 74 HG13 ILE 11 HG11 ILE 11 9.344 -3.746 0.914 75 HG21 ILE 11 HG21 ILE 11 8.470 -2.412 4.285 76 HG22 ILE 11 HG22 ILE 11 8.430 -1.076 3.131 77 HG23 ILE 11 HG23 ILE 11 9.763 -1.213 4.280 78 HD11 ILE 11 HD11 ILE 11 9.424 -5.436 2.585 79 HD12 ILE 11 HD12 ILE 11 7.752 -5.289 2.048 80 HD13 ILE 11 HD13 ILE 11 8.248 -4.582 3.583 81 H LYS 12 HN LYS 12 12.654 -2.185 3.260 82 HA LYS 12 HA LYS 12 12.663 0.189 4.736 83 HB2 LYS 12 HB2 LYS 12 13.831 -1.826 5.491 84 HB3 LYS 12 HB1 LYS 12 14.968 -1.686 4.158 85 HG2 LYS 12 HG2 LYS 12 15.820 0.393 5.063 86 HG3 LYS 12 HG1 LYS 12 14.634 0.331 6.366 87 HD2 LYS 12 HD2 LYS 12 15.640 -1.698 7.229 88 HD3 LYS 12 HD1 LYS 12 16.774 -1.739 5.878 89 HE2 LYS 12 HE2 LYS 12 17.823 -0.858 7.904 90 HE3 LYS 12 HE1 LYS 12 17.762 0.357 6.628 91 HZ1 LYS 12 HZ1 LYS 12 15.872 0.167 8.912 92 HZ2 LYS 12 HZ2 LYS 12 15.846 1.349 7.701 93 HZ3 LYS 12 HZ3 LYS 12 17.144 1.275 8.781 94 H LYS 13 HN LYS 13 14.095 -0.642 1.650 95 HA LYS 13 HA LYS 13 15.835 1.605 1.445 96 HB2 LYS 13 HB2 LYS 13 14.628 -0.271 -0.577 97 HB3 LYS 13 HB1 LYS 13 15.658 1.069 -1.053 98 HG2 LYS 13 HG2 LYS 13 17.547 0.113 -0.170 99 HG3 LYS 13 HG1 LYS 13 16.639 -0.876 0.974 100 HD2 LYS 13 HD2 LYS 13 17.667 -2.141 -0.944 101 HD3 LYS 13 HD1 LYS 13 15.929 -2.359 -0.749 102 HE2 LYS 13 HE2 LYS 13 15.441 -0.940 -2.571 103 HE3 LYS 13 HE1 LYS 13 17.104 -0.342 -2.642 104 HZ1 LYS 13 HZ1 LYS 13 16.672 -1.934 -4.398 105 HZ2 LYS 13 HZ2 LYS 13 16.223 -3.109 -3.268 106 HZ3 LYS 13 HZ3 LYS 13 17.820 -2.556 -3.321 107 H ALA 14 HN ALA 14 12.690 0.858 -0.010 108 HA ALA 14 HA ALA 14 12.356 3.418 -1.187 109 HB1 ALA 14 HB1 ALA 14 10.086 1.571 -0.546 110 HB2 ALA 14 HB2 ALA 14 11.260 1.162 -1.792 111 HB3 ALA 14 HB3 ALA 14 10.299 2.634 -1.936 112 H ILE 15 HN ILE 15 11.233 1.917 1.780 113 HA ILE 15 HA ILE 15 9.457 3.824 2.674 114 HB ILE 15 HB ILE 15 11.234 1.868 4.089 115 HG12 ILE 15 HG12 ILE 15 9.213 1.189 2.763 116 HG13 ILE 15 HG11 ILE 15 9.195 0.699 4.458 117 HG21 ILE 15 HG21 ILE 15 9.407 2.600 5.998 118 HG22 ILE 15 HG22 ILE 15 9.911 4.143 5.312 119 HG23 ILE 15 HG23 ILE 15 11.113 3.043 5.977 120 HD11 ILE 15 HD11 ILE 15 7.827 2.812 4.877 121 HD12 ILE 15 HD12 ILE 15 7.016 1.470 4.069 122 HD13 ILE 15 HD13 ILE 15 7.599 2.854 3.133 123 H GLY 16 HN GLY 16 12.982 3.624 3.260 124 HA2 GLY 16 HA2 GLY 16 12.907 6.231 4.590 125 HA3 GLY 16 HA1 GLY 16 14.257 5.115 4.585 126 H ALA 17 HN ALA 17 14.433 4.779 1.721 127 HA ALA 17 HA ALA 17 16.313 6.535 0.967 128 HB1 ALA 17 HB1 ALA 17 15.643 6.189 -1.401 129 HB2 ALA 17 HB2 ALA 17 14.176 5.396 -0.819 130 HB3 ALA 17 HB3 ALA 17 15.758 4.704 -0.458 131 H PHE 18 HN PHE 18 12.842 7.174 0.615 132 HA PHE 18 HA PHE 18 13.516 9.977 -0.001 133 HD1 PHE 18 HD2 PHE 18 9.709 9.295 0.677 134 HD2 PHE 18 HD1 PHE 18 11.470 6.768 -2.263 135 HE1 PHE 18 HE2 PHE 18 7.908 7.671 1.002 136 HE2 PHE 18 HE1 PHE 18 9.651 5.139 -1.948 137 HZ PHE 18 HZ PHE 18 7.867 5.598 -0.307 138 HB2 PHE 18 HB2 PHE 18 11.392 10.100 -1.204 139 HB3 PHE 18 HB1 PHE 18 12.412 8.822 -1.861 140 H THR 19 HN THR 19 12.355 11.615 1.025 141 HA THR 19 HA THR 19 11.076 10.801 3.517 142 HB THR 19 HB THR 19 11.834 13.572 2.580 143 HG1 THR 19 HG1 THR 19 13.162 11.720 4.296 144 HG21 THR 19 HG21 THR 19 10.050 13.558 4.264 145 HG22 THR 19 HG22 THR 19 11.553 14.199 4.924 146 HG23 THR 19 HG23 THR 19 11.051 12.555 5.315 147 H ALA 20 HN ALA 20 10.340 12.940 0.745 148 HA ALA 20 HA ALA 20 7.578 13.118 1.644 149 HB1 ALA 20 HB1 ALA 20 8.790 15.189 1.150 150 HB2 ALA 20 HB2 ALA 20 7.351 14.987 0.148 151 HB3 ALA 20 HB3 ALA 20 8.950 14.675 -0.530 152 H ALA 21 HN ALA 21 9.342 11.327 -0.707 153 HA ALA 21 HA ALA 21 7.703 11.298 -2.905 154 HB1 ALA 21 HB1 ALA 21 8.596 8.628 -2.012 155 HB2 ALA 21 HB2 ALA 21 9.833 9.855 -2.281 156 HB3 ALA 21 HB3 ALA 21 8.738 9.408 -3.584 157 H ASP 22 HN ASP 22 7.202 9.482 0.084 158 HA ASP 22 HA ASP 22 4.777 8.257 -0.785 159 HB2 ASP 22 HB2 ASP 22 4.423 7.743 1.614 160 HB3 ASP 22 HB1 ASP 22 6.039 7.299 1.081 161 H SER 23 HN SER 23 5.671 11.228 0.770 162 HA SER 23 HA SER 23 3.082 12.081 1.527 163 HG SER 23 HG SER 23 3.377 14.704 2.123 164 HB2 SER 23 HB2 SER 23 4.865 13.126 2.660 165 HB3 SER 23 HB1 SER 23 5.744 13.464 1.165 166 H PHE 24 HN PHE 24 4.932 12.207 -1.402 167 HA PHE 24 HA PHE 24 3.062 14.062 -2.663 168 HD1 PHE 24 HD2 PHE 24 3.993 16.076 -4.362 169 HD2 PHE 24 HD1 PHE 24 5.257 12.311 -5.890 170 HE1 PHE 24 HE2 PHE 24 3.510 16.846 -6.648 171 HE2 PHE 24 HE1 PHE 24 4.779 13.075 -8.180 172 HZ PHE 24 HZ PHE 24 3.904 15.346 -8.561 173 HB2 PHE 24 HB2 PHE 24 5.419 14.490 -3.044 174 HB3 PHE 24 HB1 PHE 24 5.652 12.851 -3.643 175 H ASP 25 HN ASP 25 4.492 10.866 -3.386 176 HA ASP 25 HA ASP 25 1.960 9.823 -4.238 177 HB2 ASP 25 HB2 ASP 25 2.788 11.231 -6.191 178 HB3 ASP 25 HB1 ASP 25 4.088 10.058 -6.366 179 H HIS 26 HN HIS 26 2.154 7.980 -3.088 180 HA HIS 26 HA HIS 26 4.569 6.568 -2.691 181 HD1 HIS 26 HD1 HIS 26 2.066 4.233 0.269 182 HD2 HIS 26 HD2 HIS 26 5.417 6.398 -0.897 183 HE1 HIS 26 HE1 HIS 26 3.714 3.990 2.154 184 HE2 HIS 26 HE2 HIS 26 5.715 5.348 1.448 185 HB2 HIS 26 HB2 HIS 26 1.915 6.410 -1.737 186 HB3 HIS 26 HB1 HIS 26 2.312 4.826 -2.391 187 H LYS 27 HN LYS 27 2.613 6.747 -5.437 188 HA LYS 27 HA LYS 27 2.456 4.309 -6.579 189 HB2 LYS 27 HB2 LYS 27 2.760 7.046 -7.491 190 HB3 LYS 27 HB1 LYS 27 3.477 5.917 -8.618 191 HG2 LYS 27 HG2 LYS 27 1.081 6.569 -9.047 192 HG3 LYS 27 HG1 LYS 27 1.445 4.853 -9.037 193 HD2 LYS 27 HD2 LYS 27 0.721 5.052 -6.506 194 HD3 LYS 27 HD1 LYS 27 -0.138 6.469 -7.112 195 HE2 LYS 27 HE2 LYS 27 -1.376 5.170 -8.653 196 HE3 LYS 27 HE1 LYS 27 -0.339 3.762 -8.402 197 HZ1 LYS 27 HZ1 LYS 27 -2.458 3.528 -7.259 198 HZ2 LYS 27 HZ2 LYS 27 -2.174 4.945 -6.380 199 HZ3 LYS 27 HZ3 LYS 27 -1.187 3.591 -6.142 200 H LYS 28 HN LYS 28 5.254 6.453 -6.859 201 HA LYS 28 HA LYS 28 6.960 4.611 -8.103 202 HB2 LYS 28 HB2 LYS 28 7.451 7.046 -6.406 203 HB3 LYS 28 HB1 LYS 28 8.797 6.070 -6.975 204 HG2 LYS 28 HG2 LYS 28 8.531 7.901 -8.471 205 HG3 LYS 28 HG1 LYS 28 8.010 6.438 -9.304 206 HD2 LYS 28 HD2 LYS 28 5.914 7.949 -7.869 207 HD3 LYS 28 HD1 LYS 28 6.599 8.721 -9.297 208 HE2 LYS 28 HE2 LYS 28 6.106 6.697 -10.605 209 HE3 LYS 28 HE1 LYS 28 5.370 5.968 -9.179 210 HZ1 LYS 28 HZ1 LYS 28 3.681 6.902 -10.589 211 HZ2 LYS 28 HZ2 LYS 28 4.442 8.413 -10.584 212 HZ3 LYS 28 HZ3 LYS 28 3.764 7.806 -9.159 213 H PHE 29 HN PHE 29 6.603 5.481 -4.686 214 HA PHE 29 HA PHE 29 8.466 3.818 -3.535 215 HD1 PHE 29 HD2 PHE 29 8.937 3.612 -0.994 216 HD2 PHE 29 HD1 PHE 29 4.705 3.268 -1.106 217 HE1 PHE 29 HE2 PHE 29 9.012 2.135 0.971 218 HE2 PHE 29 HE1 PHE 29 4.775 1.794 0.861 219 HZ PHE 29 HZ PHE 29 6.925 1.221 1.901 220 HB2 PHE 29 HB2 PHE 29 7.270 5.347 -2.149 221 HB3 PHE 29 HB1 PHE 29 5.719 4.648 -2.592 222 H PHE 30 HN PHE 30 5.239 3.059 -4.683 223 HA PHE 30 HA PHE 30 4.965 0.451 -3.739 224 HD1 PHE 30 HD2 PHE 30 2.404 1.803 -3.150 225 HD2 PHE 30 HD1 PHE 30 2.765 -1.212 -6.119 226 HE1 PHE 30 HE2 PHE 30 0.618 0.521 -2.046 227 HE2 PHE 30 HE1 PHE 30 0.982 -2.503 -5.023 228 HZ PHE 30 HZ PHE 30 -0.096 -1.642 -2.984 229 HB2 PHE 30 HB2 PHE 30 3.532 2.187 -5.350 230 HB3 PHE 30 HB1 PHE 30 3.872 0.814 -6.398 231 H GLN 31 HN GLN 31 6.672 1.741 -6.474 232 HA GLN 31 HA GLN 31 7.324 -0.849 -7.569 233 HB2 GLN 31 HB2 GLN 31 8.688 1.664 -8.413 234 HB3 GLN 31 HB1 GLN 31 8.215 0.281 -9.383 235 HG2 GLN 31 HG2 GLN 31 5.833 0.987 -9.063 236 HG3 GLN 31 HG1 GLN 31 6.438 2.452 -8.299 237 HE21 GLN 31 HE21 GLN 31 5.540 3.771 -9.870 238 HE22 GLN 31 HE22 GLN 31 6.196 3.882 -11.464 239 H MET 32 HN MET 32 8.948 1.687 -5.734 240 HA MET 32 HA MET 32 11.517 0.451 -5.769 241 HB2 MET 32 HB2 MET 32 10.404 2.499 -3.857 242 HB3 MET 32 HB1 MET 32 12.102 2.087 -4.053 243 HG2 MET 32 HG2 MET 32 10.288 3.445 -6.011 244 HG3 MET 32 HG1 MET 32 11.731 4.086 -5.232 245 HE1 MET 32 HE1 MET 32 14.208 3.174 -5.753 246 HE2 MET 32 HE2 MET 32 14.542 1.916 -6.942 247 HE3 MET 32 HE3 MET 32 13.663 1.521 -5.465 248 H VAL 33 HN VAL 33 8.771 0.365 -3.604 249 HA VAL 33 HA VAL 33 9.978 -0.949 -1.425 250 HB VAL 33 HB VAL 33 7.822 0.156 -1.177 251 HG11 VAL 33 HG11 VAL 33 6.471 -2.033 -2.677 252 HG12 VAL 33 HG12 VAL 33 7.141 -0.677 -3.556 253 HG13 VAL 33 HG13 VAL 33 5.907 -0.404 -2.329 254 HG21 VAL 33 HG21 VAL 33 8.253 -1.609 0.395 255 HG22 VAL 33 HG22 VAL 33 7.678 -2.820 -0.747 256 HG23 VAL 33 HG23 VAL 33 6.552 -1.654 -0.052 257 H GLY 34 HN GLY 34 8.845 -2.082 -4.468 258 HA2 GLY 34 HA2 GLY 34 9.370 -4.148 -5.434 259 HA3 GLY 34 HA1 GLY 34 9.836 -4.742 -3.848 260 H LEU 35 HN LEU 35 6.764 -3.165 -4.188 261 HA LEU 35 HA LEU 35 5.381 -5.509 -3.314 262 HG LEU 35 HG LEU 35 3.788 -4.785 -1.879 263 HB2 LEU 35 HB2 LEU 35 4.712 -2.696 -3.837 264 HB3 LEU 35 HB1 LEU 35 3.429 -3.810 -4.277 265 HD11 LEU 35 HD11 LEU 35 4.852 -2.004 -1.467 266 HD12 LEU 35 HD12 LEU 35 5.835 -3.467 -1.446 267 HD13 LEU 35 HD13 LEU 35 4.571 -3.237 -0.237 268 HD21 LEU 35 HD21 LEU 35 2.120 -3.284 -1.012 269 HD22 LEU 35 HD22 LEU 35 1.784 -3.596 -2.716 270 HD23 LEU 35 HD23 LEU 35 2.525 -2.073 -2.228 271 H LYS 36 HN LYS 36 5.937 -3.901 -6.369 272 HA LYS 36 HA LYS 36 4.116 -5.522 -7.873 273 HB2 LYS 36 HB2 LYS 36 6.385 -3.711 -8.686 274 HB3 LYS 36 HB1 LYS 36 5.364 -4.554 -9.842 275 HG2 LYS 36 HG2 LYS 36 3.731 -3.052 -9.646 276 HG3 LYS 36 HG1 LYS 36 3.829 -3.050 -7.883 277 HD2 LYS 36 HD2 LYS 36 4.368 -0.841 -8.967 278 HD3 LYS 36 HD1 LYS 36 5.615 -1.481 -7.910 279 HE2 LYS 36 HE2 LYS 36 6.435 -0.524 -10.061 280 HE3 LYS 36 HE1 LYS 36 6.929 -2.188 -9.767 281 HZ1 LYS 36 HZ1 LYS 36 6.179 -1.852 -12.045 282 HZ2 LYS 36 HZ2 LYS 36 4.663 -1.344 -11.493 283 HZ3 LYS 36 HZ3 LYS 36 5.168 -2.936 -11.230 284 H LYS 37 HN LYS 37 7.155 -6.113 -6.506 285 HA LYS 37 HA LYS 37 8.626 -7.533 -8.295 286 HB2 LYS 37 HB2 LYS 37 9.141 -7.082 -5.858 287 HB3 LYS 37 HB1 LYS 37 8.156 -8.480 -5.462 288 HG2 LYS 37 HG2 LYS 37 10.493 -8.649 -7.335 289 HG3 LYS 37 HG1 LYS 37 10.665 -8.812 -5.587 290 HD2 LYS 37 HD2 LYS 37 8.961 -10.655 -5.685 291 HD3 LYS 37 HD1 LYS 37 9.061 -10.561 -7.445 292 HE2 LYS 37 HE2 LYS 37 10.501 -12.326 -6.651 293 HE3 LYS 37 HE1 LYS 37 11.476 -11.011 -7.308 294 HZ1 LYS 37 HZ1 LYS 37 10.946 -11.502 -4.427 295 HZ2 LYS 37 HZ2 LYS 37 11.872 -10.233 -5.052 296 HZ3 LYS 37 HZ3 LYS 37 12.395 -11.831 -5.237 297 H LYS 38 HN LYS 38 6.062 -8.939 -6.248 298 HA LYS 38 HA LYS 38 5.914 -11.169 -8.162 299 HB2 LYS 38 HB2 LYS 38 6.000 -11.103 -5.306 300 HB3 LYS 38 HB1 LYS 38 4.454 -11.773 -5.806 301 HG2 LYS 38 HG2 LYS 38 5.553 -13.472 -7.106 302 HG3 LYS 38 HG1 LYS 38 7.131 -12.752 -6.774 303 HD2 LYS 38 HD2 LYS 38 5.289 -13.770 -4.619 304 HD3 LYS 38 HD1 LYS 38 6.537 -14.763 -5.375 305 HE2 LYS 38 HE2 LYS 38 7.062 -12.132 -3.998 306 HE3 LYS 38 HE1 LYS 38 7.228 -13.708 -3.220 307 HZ1 LYS 38 HZ1 LYS 38 8.733 -12.812 -5.621 308 HZ2 LYS 38 HZ2 LYS 38 8.915 -14.297 -4.831 309 HZ3 LYS 38 HZ3 LYS 38 9.347 -12.863 -4.044 310 H SER 39 HN SER 39 3.482 -12.214 -7.642 311 HA SER 39 HA SER 39 1.756 -10.398 -9.004 312 HG SER 39 HG SER 39 1.810 -13.928 -9.550 313 HB2 SER 39 HB2 SER 39 1.142 -13.076 -7.734 314 HB3 SER 39 HB1 SER 39 0.078 -12.199 -8.833 315 H ALA 40 HN ALA 40 -0.584 -10.139 -8.183 316 HA ALA 40 HA ALA 40 -0.595 -8.471 -5.963 317 HB1 ALA 40 HB1 ALA 40 -3.060 -9.952 -6.787 318 HB2 ALA 40 HB2 ALA 40 -2.311 -8.789 -7.881 319 HB3 ALA 40 HB3 ALA 40 -2.876 -8.268 -6.292 320 H ASP 41 HN ASP 41 -0.900 -11.928 -6.166 321 HA ASP 41 HA ASP 41 -2.152 -12.443 -3.704 322 HB2 ASP 41 HB2 ASP 41 -0.164 -14.123 -5.248 323 HB3 ASP 41 HB1 ASP 41 -1.135 -14.702 -3.896 324 H ASP 42 HN ASP 42 1.251 -12.001 -4.558 325 HA ASP 42 HA ASP 42 2.316 -12.672 -2.030 326 HB2 ASP 42 HB2 ASP 42 3.670 -12.559 -4.099 327 HB3 ASP 42 HB1 ASP 42 3.458 -10.810 -4.129 328 H VAL 43 HN VAL 43 1.644 -9.500 -3.501 329 HA VAL 43 HA VAL 43 2.291 -7.934 -1.262 330 HB VAL 43 HB VAL 43 0.868 -6.182 -2.315 331 HG11 VAL 43 HG11 VAL 43 2.733 -7.646 -4.176 332 HG12 VAL 43 HG12 VAL 43 3.186 -6.413 -2.996 333 HG13 VAL 43 HG13 VAL 43 2.183 -5.984 -4.382 334 HG21 VAL 43 HG21 VAL 43 0.208 -8.413 -4.223 335 HG22 VAL 43 HG22 VAL 43 -0.104 -6.709 -4.555 336 HG23 VAL 43 HG23 VAL 43 -0.911 -7.509 -3.206 337 H LYS 44 HN LYS 44 -0.641 -9.567 -2.213 338 HA LYS 44 HA LYS 44 -2.546 -8.405 -0.618 339 HB2 LYS 44 HB2 LYS 44 -3.120 -10.034 -2.265 340 HB3 LYS 44 HB1 LYS 44 -2.171 -11.271 -1.452 341 HG2 LYS 44 HG2 LYS 44 -3.727 -11.137 0.468 342 HG3 LYS 44 HG1 LYS 44 -4.698 -9.981 -0.449 343 HD2 LYS 44 HD2 LYS 44 -5.187 -11.624 -2.123 344 HD3 LYS 44 HD1 LYS 44 -4.047 -12.765 -1.407 345 HE2 LYS 44 HE2 LYS 44 -6.567 -11.740 -0.104 346 HE3 LYS 44 HE1 LYS 44 -6.368 -13.325 -0.849 347 HZ1 LYS 44 HZ1 LYS 44 -6.117 -13.450 1.542 348 HZ2 LYS 44 HZ2 LYS 44 -4.867 -12.312 1.506 349 HZ3 LYS 44 HZ3 LYS 44 -4.651 -13.826 0.785 350 H LYS 45 HN LYS 45 0.130 -10.363 0.380 351 HA LYS 45 HA LYS 45 -0.958 -11.470 2.718 352 HB2 LYS 45 HB2 LYS 45 1.757 -11.062 1.617 353 HB3 LYS 45 HB1 LYS 45 1.649 -11.260 3.365 354 HG2 LYS 45 HG2 LYS 45 2.026 -13.397 2.292 355 HG3 LYS 45 HG1 LYS 45 0.435 -13.363 3.045 356 HD2 LYS 45 HD2 LYS 45 -0.571 -12.853 0.859 357 HD3 LYS 45 HD1 LYS 45 1.027 -12.941 0.116 358 HE2 LYS 45 HE2 LYS 45 -0.257 -15.013 -0.185 359 HE3 LYS 45 HE1 LYS 45 1.221 -15.273 0.740 360 HZ1 LYS 45 HZ1 LYS 45 -1.492 -14.961 1.907 361 HZ2 LYS 45 HZ2 LYS 45 -0.071 -15.280 2.765 362 HZ3 LYS 45 HZ3 LYS 45 -0.689 -16.435 1.694 363 H VAL 46 HN VAL 46 0.855 -8.441 2.172 364 HA VAL 46 HA VAL 46 0.808 -7.647 4.856 365 HB VAL 46 HB VAL 46 2.212 -6.621 3.004 366 HG11 VAL 46 HG11 VAL 46 -0.384 -5.241 2.438 367 HG12 VAL 46 HG12 VAL 46 0.723 -6.038 1.325 368 HG13 VAL 46 HG13 VAL 46 1.169 -4.504 2.056 369 HG21 VAL 46 HG21 VAL 46 2.313 -4.457 4.115 370 HG22 VAL 46 HG22 VAL 46 2.166 -5.779 5.274 371 HG23 VAL 46 HG23 VAL 46 0.762 -4.783 4.889 372 H PHE 47 HN PHE 47 -1.560 -7.572 2.330 373 HA PHE 47 HA PHE 47 -3.277 -5.673 3.513 374 HD1 PHE 47 HD1 PHE 47 -5.482 -4.695 2.506 375 HD2 PHE 47 HD2 PHE 47 -5.800 -8.800 1.441 376 HE1 PHE 47 HE1 PHE 47 -7.936 -4.536 2.630 377 HE2 PHE 47 HE2 PHE 47 -8.251 -8.649 1.565 378 HZ PHE 47 HZ PHE 47 -9.323 -6.514 2.160 379 HB2 PHE 47 HB2 PHE 47 -3.628 -6.101 1.206 380 HB3 PHE 47 HB1 PHE 47 -3.741 -7.824 1.483 381 H HIS 48 HN HIS 48 -2.793 -9.105 3.881 382 HA HIS 48 HA HIS 48 -5.167 -9.549 5.415 383 HD1 HIS 48 HD1 HIS 48 -5.573 -13.175 4.730 384 HD2 HIS 48 HD2 HIS 48 -3.683 -11.671 8.111 385 HE1 HIS 48 HE1 HIS 48 -6.423 -14.561 6.649 386 HE2 HIS 48 HE2 HIS 48 -5.342 -13.566 8.696 387 HB2 HIS 48 HB2 HIS 48 -4.002 -11.365 4.165 388 HB3 HIS 48 HB1 HIS 48 -2.655 -11.235 5.292 389 H ILE 49 HN ILE 49 -1.855 -8.680 6.052 390 HA ILE 49 HA ILE 49 -1.890 -9.059 8.869 391 HB ILE 49 HB ILE 49 -0.219 -7.042 7.376 392 HG12 ILE 49 HG12 ILE 49 0.292 -8.971 6.164 393 HG13 ILE 49 HG11 ILE 49 1.525 -8.956 7.412 394 HG21 ILE 49 HG21 ILE 49 1.401 -7.469 9.179 395 HG22 ILE 49 HG22 ILE 49 0.235 -8.549 9.945 396 HG23 ILE 49 HG23 ILE 49 -0.132 -6.831 9.772 397 HD11 ILE 49 HD11 ILE 49 0.456 -10.676 8.619 398 HD12 ILE 49 HD12 ILE 49 0.475 -11.172 6.925 399 HD13 ILE 49 HD13 ILE 49 -1.009 -10.546 7.643 400 H LEU 50 HN LEU 50 -2.271 -6.246 6.766 401 HA LEU 50 HA LEU 50 -2.921 -4.506 8.949 402 HG LEU 50 HG LEU 50 -3.254 -5.062 5.348 403 HB2 LEU 50 HB2 LEU 50 -3.002 -2.815 7.259 404 HB3 LEU 50 HB1 LEU 50 -1.598 -3.817 7.011 405 HD11 LEU 50 HD11 LEU 50 -5.101 -3.453 5.954 406 HD12 LEU 50 HD12 LEU 50 -4.754 -3.604 4.235 407 HD13 LEU 50 HD13 LEU 50 -4.169 -2.203 5.132 408 HD21 LEU 50 HD21 LEU 50 -2.249 -3.775 3.549 409 HD22 LEU 50 HD22 LEU 50 -1.062 -4.105 4.812 410 HD23 LEU 50 HD23 LEU 50 -1.797 -2.507 4.688 411 H ASP 51 HN ASP 51 -4.720 -5.964 6.220 412 HA ASP 51 HA ASP 51 -7.185 -4.766 7.218 413 HB2 ASP 51 HB2 ASP 51 -6.558 -4.860 4.749 414 HB3 ASP 51 HB1 ASP 51 -6.950 -6.565 4.859 415 H LYS 52 HN LYS 52 -6.182 -6.575 9.025 416 HA LYS 52 HA LYS 52 -7.209 -9.197 8.665 417 HB2 LYS 52 HB2 LYS 52 -6.599 -9.572 10.949 418 HB3 LYS 52 HB1 LYS 52 -5.359 -8.554 10.226 419 HG2 LYS 52 HG2 LYS 52 -6.547 -6.581 11.205 420 HG3 LYS 52 HG1 LYS 52 -7.557 -7.720 12.092 421 HD2 LYS 52 HD2 LYS 52 -4.578 -7.900 12.257 422 HD3 LYS 52 HD1 LYS 52 -5.461 -6.703 13.209 423 HE2 LYS 52 HE2 LYS 52 -5.053 -8.782 14.464 424 HE3 LYS 52 HE1 LYS 52 -6.769 -8.443 14.258 425 HZ1 LYS 52 HZ1 LYS 52 -5.367 -10.205 12.357 426 HZ2 LYS 52 HZ2 LYS 52 -7.013 -10.153 12.748 427 HZ3 LYS 52 HZ3 LYS 52 -5.904 -10.812 13.841 428 H ASP 53 HN ASP 53 -8.371 -6.421 10.593 429 HA ASP 53 HA ASP 53 -11.004 -7.720 10.701 430 HB2 ASP 53 HB2 ASP 53 -11.395 -6.489 12.810 431 HB3 ASP 53 HB1 ASP 53 -10.030 -7.597 12.924 432 H LYS 54 HN LYS 54 -9.443 -5.407 9.070 433 HA LYS 54 HA LYS 54 -10.985 -3.104 9.385 434 HB2 LYS 54 HB2 LYS 54 -8.895 -3.042 8.251 435 HB3 LYS 54 HB1 LYS 54 -9.490 -4.106 6.984 436 HG2 LYS 54 HG2 LYS 54 -9.414 -1.766 6.274 437 HG3 LYS 54 HG1 LYS 54 -11.054 -2.410 6.266 438 HD2 LYS 54 HD2 LYS 54 -10.897 -0.121 7.215 439 HD3 LYS 54 HD1 LYS 54 -11.556 -1.308 8.344 440 HE2 LYS 54 HE2 LYS 54 -9.950 0.161 9.448 441 HE3 LYS 54 HE1 LYS 54 -9.373 -1.504 9.418 442 HZ1 LYS 54 HZ1 LYS 54 -8.487 0.730 7.679 443 HZ2 LYS 54 HZ2 LYS 54 -8.043 -0.882 7.430 444 HZ3 LYS 54 HZ3 LYS 54 -7.571 -0.087 8.845 445 H SER 55 HN SER 55 -11.854 -6.115 8.094 446 HA SER 55 HA SER 55 -13.989 -6.797 7.534 447 HG SER 55 HG SER 55 -14.215 -3.145 6.623 448 HB2 SER 55 HB2 SER 55 -15.799 -5.379 7.260 449 HB3 SER 55 HB1 SER 55 -14.752 -4.419 8.306 450 H GLY 56 HN GLY 56 -11.535 -6.170 5.799 451 HA2 GLY 56 HA2 GLY 56 -11.059 -7.003 3.674 452 HA3 GLY 56 HA1 GLY 56 -12.782 -7.114 3.359 453 H PHE 57 HN PHE 57 -12.736 -4.107 4.359 454 HA PHE 57 HA PHE 57 -11.697 -2.982 1.844 455 HD1 PHE 57 HD1 PHE 57 -13.508 -2.255 -0.429 456 HD2 PHE 57 HD2 PHE 57 -15.278 -4.573 2.671 457 HE1 PHE 57 HE1 PHE 57 -14.509 -3.740 -2.115 458 HE2 PHE 57 HE2 PHE 57 -16.282 -6.062 0.988 459 HZ PHE 57 HZ PHE 57 -15.897 -5.645 -1.408 460 HB2 PHE 57 HB2 PHE 57 -14.375 -2.383 3.118 461 HB3 PHE 57 HB1 PHE 57 -13.662 -1.407 1.834 462 H ILE 58 HN ILE 58 -10.360 -1.344 2.148 463 HA ILE 58 HA ILE 58 -10.311 -0.059 4.798 464 HB ILE 58 HB ILE 58 -8.104 0.241 2.791 465 HG12 ILE 58 HG12 ILE 58 -8.252 -2.046 4.759 466 HG13 ILE 58 HG11 ILE 58 -8.666 -2.219 3.057 467 HG21 ILE 58 HG21 ILE 58 -6.814 0.209 5.011 468 HG22 ILE 58 HG22 ILE 58 -8.394 0.400 5.766 469 HG23 ILE 58 HG23 ILE 58 -7.801 1.621 4.640 470 HD11 ILE 58 HD11 ILE 58 -5.990 -1.430 4.178 471 HD12 ILE 58 HD12 ILE 58 -6.388 -1.522 2.462 472 HD13 ILE 58 HD13 ILE 58 -6.419 -2.979 3.454 473 H GLU 59 HN GLU 59 -10.518 2.051 5.034 474 HA GLU 59 HA GLU 59 -11.399 3.521 2.666 475 HB2 GLU 59 HB2 GLU 59 -12.082 3.511 5.531 476 HB3 GLU 59 HB1 GLU 59 -12.153 5.076 4.715 477 HG2 GLU 59 HG2 GLU 59 -13.633 4.007 3.002 478 HG3 GLU 59 HG1 GLU 59 -13.669 2.570 4.023 479 H GLU 60 HN GLU 60 -10.214 4.976 1.850 480 HA GLU 60 HA GLU 60 -7.691 5.691 2.284 481 HB2 GLU 60 HB2 GLU 60 -8.283 7.910 1.240 482 HB3 GLU 60 HB1 GLU 60 -8.808 6.482 0.360 483 HG2 GLU 60 HG2 GLU 60 -10.828 7.397 0.324 484 HG3 GLU 60 HG1 GLU 60 -10.907 6.997 2.043 485 H ASP 61 HN ASP 61 -10.420 6.970 4.095 486 HA ASP 61 HA ASP 61 -9.060 9.125 5.316 487 HB2 ASP 61 HB2 ASP 61 -11.450 7.525 6.268 488 HB3 ASP 61 HB1 ASP 61 -10.899 9.029 7.004 489 H GLU 62 HN GLU 62 -9.754 5.836 6.436 490 HA GLU 62 HA GLU 62 -7.966 6.179 8.709 491 HB2 GLU 62 HB2 GLU 62 -9.637 3.816 7.827 492 HB3 GLU 62 HB1 GLU 62 -8.670 3.867 9.295 493 HG2 GLU 62 HG2 GLU 62 -10.997 4.287 9.794 494 HG3 GLU 62 HG1 GLU 62 -10.027 5.720 10.127 495 H LEU 63 HN LEU 63 -7.842 5.080 5.492 496 HA LEU 63 HA LEU 63 -6.008 3.031 5.523 497 HG LEU 63 HG LEU 63 -4.799 3.699 2.264 498 HB2 LEU 63 HB2 LEU 63 -7.322 4.169 3.590 499 HB3 LEU 63 HB1 LEU 63 -5.923 5.210 3.467 500 HD11 LEU 63 HD11 LEU 63 -4.445 1.383 2.883 501 HD12 LEU 63 HD12 LEU 63 -5.697 1.501 4.118 502 HD13 LEU 63 HD13 LEU 63 -4.210 2.431 4.280 503 HD21 LEU 63 HD21 LEU 63 -6.928 3.468 1.184 504 HD22 LEU 63 HD22 LEU 63 -7.433 2.246 2.348 505 HD23 LEU 63 HD23 LEU 63 -6.128 1.898 1.216 506 H GLY 64 HN GLY 64 -5.554 6.430 6.021 507 HA2 GLY 64 HA2 GLY 64 -2.750 6.542 5.615 508 HA3 GLY 64 HA1 GLY 64 -3.708 7.702 6.532 509 H SER 65 HN SER 65 -4.680 5.486 8.295 510 HA SER 65 HA SER 65 -2.469 5.574 10.161 511 HG SER 65 HG SER 65 -4.084 5.183 12.703 512 HB2 SER 65 HB2 SER 65 -4.828 5.920 10.895 513 HB3 SER 65 HB1 SER 65 -5.180 4.253 10.433 514 H ILE 66 HN ILE 66 -4.512 3.070 8.736 515 HA ILE 66 HA ILE 66 -3.060 0.850 9.599 516 HB ILE 66 HB ILE 66 -5.349 0.759 8.701 517 HG12 ILE 66 HG12 ILE 66 -5.116 -1.344 7.496 518 HG13 ILE 66 HG11 ILE 66 -3.421 -0.972 7.207 519 HG21 ILE 66 HG21 ILE 66 -4.228 0.827 5.938 520 HG22 ILE 66 HG22 ILE 66 -4.697 2.318 6.754 521 HG23 ILE 66 HG23 ILE 66 -5.893 1.053 6.476 522 HD11 ILE 66 HD11 ILE 66 -4.631 -1.351 9.927 523 HD12 ILE 66 HD12 ILE 66 -2.921 -1.149 9.547 524 HD13 ILE 66 HD13 ILE 66 -3.776 -2.601 9.025 525 H LEU 67 HN LEU 67 -2.261 3.143 7.160 526 HA LEU 67 HA LEU 67 -0.846 1.709 5.267 527 HG LEU 67 HG LEU 67 -0.847 5.108 4.078 528 HB2 LEU 67 HB2 LEU 67 -0.964 4.414 6.270 529 HB3 LEU 67 HB1 LEU 67 0.680 3.996 5.841 530 HD11 LEU 67 HD11 LEU 67 0.172 3.095 2.490 531 HD12 LEU 67 HD12 LEU 67 1.229 3.126 3.903 532 HD13 LEU 67 HD13 LEU 67 0.981 4.591 2.953 533 HD21 LEU 67 HD21 LEU 67 -2.657 4.027 3.393 534 HD22 LEU 67 HD22 LEU 67 -2.313 2.717 4.510 535 HD23 LEU 67 HD23 LEU 67 -1.654 2.674 2.883 536 H LYS 68 HN LYS 68 -0.064 2.241 8.586 537 HA LYS 68 HA LYS 68 2.661 2.046 8.668 538 HB2 LYS 68 HB2 LYS 68 0.679 0.768 10.541 539 HB3 LYS 68 HB1 LYS 68 2.377 1.064 10.895 540 HG2 LYS 68 HG2 LYS 68 2.084 3.360 11.013 541 HG3 LYS 68 HG1 LYS 68 0.577 3.312 10.090 542 HD2 LYS 68 HD2 LYS 68 -0.562 2.264 11.953 543 HD3 LYS 68 HD1 LYS 68 0.946 2.178 12.866 544 HE2 LYS 68 HE2 LYS 68 -0.410 4.037 13.641 545 HE3 LYS 68 HE1 LYS 68 1.066 4.628 12.878 546 HZ1 LYS 68 HZ1 LYS 68 -0.834 5.918 12.175 547 HZ2 LYS 68 HZ2 LYS 68 -1.625 4.529 11.624 548 HZ3 LYS 68 HZ3 LYS 68 -0.212 5.056 10.858 549 H GLY 69 HN GLY 69 0.453 -0.456 7.686 550 HA2 GLY 69 HA2 GLY 69 1.715 -2.798 8.274 551 HA3 GLY 69 HA1 GLY 69 0.967 -2.502 6.711 552 H PHE 70 HN PHE 70 2.531 -0.776 5.450 553 HA PHE 70 HA PHE 70 5.078 -2.208 5.225 554 HD1 PHE 70 HD2 PHE 70 1.866 -2.249 3.561 555 HD2 PHE 70 HD1 PHE 70 3.924 1.326 2.517 556 HE1 PHE 70 HE2 PHE 70 -0.261 -1.236 2.847 557 HE2 PHE 70 HE1 PHE 70 1.800 2.344 1.786 558 HZ PHE 70 HZ PHE 70 -0.293 1.060 1.958 559 HB2 PHE 70 HB2 PHE 70 5.141 -0.540 3.115 560 HB3 PHE 70 HB1 PHE 70 4.403 -2.138 3.056 561 H SER 71 HN SER 71 3.666 0.939 5.611 562 HA SER 71 HA SER 71 6.090 2.424 5.688 563 HG SER 71 HG SER 71 3.211 4.236 7.367 564 HB2 SER 71 HB2 SER 71 4.743 4.327 5.939 565 HB3 SER 71 HB1 SER 71 3.803 3.243 4.920 566 H SER 72 HN SER 72 4.984 0.336 7.947 567 HA SER 72 HA SER 72 4.785 1.610 10.357 568 HG SER 72 HG SER 72 5.829 0.022 12.245 569 HB2 SER 72 HB2 SER 72 4.576 -0.711 10.490 570 HB3 SER 72 HB1 SER 72 6.076 -0.996 9.607 571 H ASP 73 HN ASP 73 7.628 1.328 8.375 572 HA ASP 73 HA ASP 73 9.211 2.669 10.459 573 HB2 ASP 73 HB2 ASP 73 11.147 2.000 8.856 574 HB3 ASP 73 HB1 ASP 73 10.423 0.780 9.896 575 H ALA 74 HN ALA 74 7.317 4.112 9.047 576 HA ALA 74 HA ALA 74 8.860 6.245 7.969 577 HB1 ALA 74 HB1 ALA 74 7.090 5.590 5.811 578 HB2 ALA 74 HB2 ALA 74 8.158 4.228 6.139 579 HB3 ALA 74 HB3 ALA 74 8.839 5.816 5.786 580 H ARG 75 HN ARG 75 6.845 7.418 6.359 581 HA ARG 75 HA ARG 75 4.974 8.233 8.430 582 HE ARG 75 HE ARG 75 8.265 11.959 7.781 583 HB2 ARG 75 HB2 ARG 75 5.326 9.325 5.629 584 HB3 ARG 75 HB1 ARG 75 4.426 10.075 6.940 585 HG2 ARG 75 HG2 ARG 75 6.574 10.209 8.219 586 HG3 ARG 75 HG1 ARG 75 7.398 9.693 6.745 587 HD2 ARG 75 HD2 ARG 75 6.680 11.632 5.568 588 HD3 ARG 75 HD1 ARG 75 5.573 12.086 6.868 589 HH11 ARG 75 HH11 ARG 75 6.022 13.937 5.996 590 HH12 ARG 75 HH12 ARG 75 6.830 15.422 6.373 591 HH21 ARG 75 HH21 ARG 75 9.336 13.909 8.286 592 HH22 ARG 75 HH22 ARG 75 8.711 15.407 7.678 593 H ASP 76 HN ASP 76 2.922 9.056 6.410 594 HA ASP 76 HA ASP 76 1.949 6.460 5.480 595 HB2 ASP 76 HB2 ASP 76 0.413 8.303 7.313 596 HB3 ASP 76 HB1 ASP 76 -0.290 6.940 6.450 597 H LEU 77 HN LEU 77 -0.343 6.907 4.447 598 HA LEU 77 HA LEU 77 0.098 8.562 2.180 599 HG LEU 77 HG LEU 77 -3.269 8.401 3.386 600 HB2 LEU 77 HB2 LEU 77 -1.546 7.336 1.304 601 HB3 LEU 77 HB1 LEU 77 -1.417 6.381 2.762 602 HD11 LEU 77 HD11 LEU 77 -4.922 7.772 1.506 603 HD12 LEU 77 HD12 LEU 77 -3.457 7.430 0.579 604 HD13 LEU 77 HD13 LEU 77 -3.737 9.049 1.228 605 HD21 LEU 77 HD21 LEU 77 -4.657 6.631 3.840 606 HD22 LEU 77 HD22 LEU 77 -3.080 5.847 3.878 607 HD23 LEU 77 HD23 LEU 77 -4.098 5.699 2.453 608 H SER 78 HN SER 78 -0.487 10.635 1.816 609 HA SER 78 HA SER 78 -1.909 12.024 3.974 610 HG SER 78 HG SER 78 1.205 12.229 3.214 611 HB2 SER 78 HB2 SER 78 -0.147 13.145 1.782 612 HB3 SER 78 HB1 SER 78 -0.902 14.084 3.070 613 H ALA 79 HN ALA 79 -2.825 14.249 2.805 614 HA ALA 79 HA ALA 79 -5.267 13.611 1.740 615 HB1 ALA 79 HB1 ALA 79 -5.483 15.896 1.091 616 HB2 ALA 79 HB2 ALA 79 -3.731 16.092 0.999 617 HB3 ALA 79 HB3 ALA 79 -4.515 15.858 2.566 618 H LYS 80 HN LYS 80 -2.370 14.571 -0.071 619 HA LYS 80 HA LYS 80 -3.373 14.346 -2.647 620 HB2 LYS 80 HB2 LYS 80 -0.582 13.686 -1.684 621 HB3 LYS 80 HB1 LYS 80 -1.033 14.001 -3.352 622 HG2 LYS 80 HG2 LYS 80 -1.637 16.285 -2.780 623 HG3 LYS 80 HG1 LYS 80 -1.253 15.974 -1.086 624 HD2 LYS 80 HD2 LYS 80 1.075 15.512 -1.707 625 HD3 LYS 80 HD1 LYS 80 0.684 15.835 -3.396 626 HE2 LYS 80 HE2 LYS 80 1.750 17.764 -2.331 627 HE3 LYS 80 HE1 LYS 80 0.102 18.131 -2.841 628 HZ1 LYS 80 HZ1 LYS 80 0.939 17.441 -0.074 629 HZ2 LYS 80 HZ2 LYS 80 -0.637 17.806 -0.565 630 HZ3 LYS 80 HZ3 LYS 80 0.565 18.994 -0.632 631 H GLU 81 HN GLU 81 -1.718 11.890 -0.706 632 HA GLU 81 HA GLU 81 -1.939 9.792 -2.566 633 HB2 GLU 81 HB2 GLU 81 -1.771 9.482 0.424 634 HB3 GLU 81 HB1 GLU 81 -1.156 8.377 -0.783 635 HG2 GLU 81 HG2 GLU 81 -0.068 11.087 -0.078 636 HG3 GLU 81 HG1 GLU 81 0.693 9.517 0.178 637 H THR 82 HN THR 82 -4.125 11.063 -0.142 638 HA THR 82 HA THR 82 -5.781 8.821 0.148 639 HB THR 82 HB THR 82 -6.631 11.727 0.124 640 HG1 THR 82 HG1 THR 82 -4.878 10.930 1.651 641 HG21 THR 82 HG21 THR 82 -8.281 9.617 0.132 642 HG22 THR 82 HG22 THR 82 -8.622 11.106 1.016 643 HG23 THR 82 HG23 THR 82 -7.933 9.718 1.859 644 H LYS 83 HN LYS 83 -6.048 11.599 -2.009 645 HA LYS 83 HA LYS 83 -8.037 10.354 -3.650 646 HB2 LYS 83 HB2 LYS 83 -6.429 12.874 -4.097 647 HB3 LYS 83 HB1 LYS 83 -7.827 12.372 -5.039 648 HG2 LYS 83 HG2 LYS 83 -7.789 13.131 -2.126 649 HG3 LYS 83 HG1 LYS 83 -8.492 14.051 -3.460 650 HD2 LYS 83 HD2 LYS 83 -9.395 11.345 -2.472 651 HD3 LYS 83 HD1 LYS 83 -10.232 12.881 -2.236 652 HE2 LYS 83 HE2 LYS 83 -10.480 13.092 -4.676 653 HE3 LYS 83 HE1 LYS 83 -9.696 11.526 -4.877 654 HZ1 LYS 83 HZ1 LYS 83 -12.263 12.030 -3.470 655 HZ2 LYS 83 HZ2 LYS 83 -11.499 10.524 -3.588 656 HZ3 LYS 83 HZ3 LYS 83 -12.079 11.290 -4.981 657 H THR 84 HN THR 84 -4.558 10.616 -3.651 658 HA THR 84 HA THR 84 -4.338 9.899 -6.432 659 HB THR 84 HB THR 84 -2.166 10.334 -4.409 660 HG1 THR 84 HG1 THR 84 -3.530 12.186 -4.992 661 HG21 THR 84 HG21 THR 84 -1.444 8.937 -6.295 662 HG22 THR 84 HG22 THR 84 -0.686 10.527 -6.346 663 HG23 THR 84 HG23 THR 84 -2.032 10.158 -7.422 664 H LEU 85 HN LEU 85 -3.093 8.502 -3.426 665 HA LEU 85 HA LEU 85 -2.287 6.106 -4.774 666 HG LEU 85 HG LEU 85 0.134 6.926 -2.139 667 HB2 LEU 85 HB2 LEU 85 -2.170 7.068 -1.968 668 HB3 LEU 85 HB1 LEU 85 -1.884 5.381 -2.320 669 HD11 LEU 85 HD11 LEU 85 0.277 4.673 -2.998 670 HD12 LEU 85 HD12 LEU 85 1.276 5.754 -3.960 671 HD13 LEU 85 HD13 LEU 85 -0.278 5.216 -4.582 672 HD21 LEU 85 HD21 LEU 85 -0.527 8.804 -3.413 673 HD22 LEU 85 HD22 LEU 85 -0.991 7.804 -4.786 674 HD23 LEU 85 HD23 LEU 85 0.708 7.984 -4.363 675 H MET 86 HN MET 86 -4.761 6.775 -2.270 676 HA MET 86 HA MET 86 -5.686 4.070 -2.395 677 HB2 MET 86 HB2 MET 86 -7.413 6.285 -1.359 678 HB3 MET 86 HB1 MET 86 -7.261 4.629 -0.790 679 HG2 MET 86 HG2 MET 86 -5.508 6.975 -0.249 680 HG3 MET 86 HG1 MET 86 -6.219 5.827 0.876 681 HE1 MET 86 HE1 MET 86 -5.819 3.332 -0.450 682 HE2 MET 86 HE2 MET 86 -4.497 2.735 0.556 683 HE3 MET 86 HE3 MET 86 -4.270 2.917 -1.184 684 H ALA 87 HN ALA 87 -7.023 7.128 -3.652 685 HA ALA 87 HA ALA 87 -9.269 5.965 -4.874 686 HB1 ALA 87 HB1 ALA 87 -8.210 8.283 -6.292 687 HB2 ALA 87 HB2 ALA 87 -8.337 8.519 -4.547 688 HB3 ALA 87 HB3 ALA 87 -9.759 8.053 -5.483 689 H ALA 88 HN ALA 88 -5.935 6.345 -6.078 690 HA ALA 88 HA ALA 88 -6.650 5.519 -8.741 691 HB1 ALA 88 HB1 ALA 88 -4.265 5.501 -9.182 692 HB2 ALA 88 HB2 ALA 88 -3.922 5.645 -7.460 693 HB3 ALA 88 HB3 ALA 88 -4.707 6.972 -8.315 694 H GLY 89 HN GLY 89 -5.294 4.024 -5.859 695 HA2 GLY 89 HA2 GLY 89 -4.719 1.500 -7.014 696 HA3 GLY 89 HA1 GLY 89 -4.940 1.829 -5.297 697 H ASP 90 HN ASP 90 -7.579 2.934 -5.620 698 HA ASP 90 HA ASP 90 -9.075 0.439 -5.780 699 HB2 ASP 90 HB2 ASP 90 -10.868 1.642 -4.642 700 HB3 ASP 90 HB1 ASP 90 -9.351 1.815 -3.766 701 H LYS 91 HN LYS 91 -8.177 1.538 -8.218 702 HA LYS 91 HA LYS 91 -9.569 3.161 -9.771 703 HB2 LYS 91 HB2 LYS 91 -7.790 1.330 -10.280 704 HB3 LYS 91 HB1 LYS 91 -9.187 0.363 -10.727 705 HG2 LYS 91 HG2 LYS 91 -8.626 3.062 -11.892 706 HG3 LYS 91 HG1 LYS 91 -8.050 1.545 -12.584 707 HD2 LYS 91 HD2 LYS 91 -10.612 0.907 -12.265 708 HD3 LYS 91 HD1 LYS 91 -10.791 2.654 -12.457 709 HE2 LYS 91 HE2 LYS 91 -9.560 2.553 -14.567 710 HE3 LYS 91 HE1 LYS 91 -9.369 0.810 -14.378 711 HZ1 LYS 91 HZ1 LYS 91 -11.772 0.574 -14.479 712 HZ2 LYS 91 HZ2 LYS 91 -11.193 1.343 -15.867 713 HZ3 LYS 91 HZ3 LYS 91 -11.955 2.246 -14.659 714 H ASP 92 HN ASP 92 -10.707 -0.186 -9.196 715 HA ASP 92 HA ASP 92 -13.328 0.568 -10.251 716 HB2 ASP 92 HB2 ASP 92 -12.257 -1.541 -11.021 717 HB3 ASP 92 HB1 ASP 92 -12.339 -2.154 -9.372 718 H GLY 93 HN GLY 93 -12.553 1.710 -7.785 719 HA2 GLY 93 HA2 GLY 93 -14.504 0.461 -5.968 720 HA3 GLY 93 HA1 GLY 93 -12.965 1.101 -5.408 721 H ASP 94 HN ASP 94 -14.639 2.218 -3.999 722 HA ASP 94 HA ASP 94 -15.517 4.712 -5.300 723 HB2 ASP 94 HB2 ASP 94 -17.183 4.899 -3.476 724 HB3 ASP 94 HB1 ASP 94 -17.401 3.444 -4.442 725 H GLY 95 HN GLY 95 -12.894 3.872 -3.931 726 HA2 GLY 95 HA2 GLY 95 -11.430 5.640 -3.096 727 HA3 GLY 95 HA1 GLY 95 -12.765 6.182 -2.094 728 H LYS 96 HN LYS 96 -11.957 2.838 -2.561 729 HA LYS 96 HA LYS 96 -10.556 2.627 -0.028 730 HB2 LYS 96 HB2 LYS 96 -13.156 1.152 -0.526 731 HB3 LYS 96 HB1 LYS 96 -12.118 0.941 0.869 732 HG2 LYS 96 HG2 LYS 96 -13.630 2.349 1.782 733 HG3 LYS 96 HG1 LYS 96 -12.550 3.558 1.086 734 HD2 LYS 96 HD2 LYS 96 -13.995 3.501 -0.970 735 HD3 LYS 96 HD1 LYS 96 -15.132 2.513 -0.060 736 HE2 LYS 96 HE2 LYS 96 -14.190 5.151 1.003 737 HE3 LYS 96 HE1 LYS 96 -15.512 5.064 -0.162 738 HZ1 LYS 96 HZ1 LYS 96 -15.456 3.638 2.445 739 HZ2 LYS 96 HZ2 LYS 96 -16.743 3.677 1.350 740 HZ3 LYS 96 HZ3 LYS 96 -16.277 5.088 2.156 741 H ILE 97 HN ILE 97 -9.224 0.806 0.044 742 HA ILE 97 HA ILE 97 -9.312 -0.861 -2.379 743 HB ILE 97 HB ILE 97 -6.947 -0.324 -0.571 744 HG12 ILE 97 HG12 ILE 97 -7.570 0.566 -3.395 745 HG13 ILE 97 HG11 ILE 97 -7.450 1.597 -1.972 746 HG21 ILE 97 HG21 ILE 97 -6.577 -2.483 -1.337 747 HG22 ILE 97 HG22 ILE 97 -5.755 -1.504 -2.551 748 HG23 ILE 97 HG23 ILE 97 -7.348 -2.171 -2.891 749 HD11 ILE 97 HD11 ILE 97 -5.469 1.717 -3.426 750 HD12 ILE 97 HD12 ILE 97 -5.171 -0.003 -3.138 751 HD13 ILE 97 HD13 ILE 97 -5.088 1.149 -1.800 752 H GLY 98 HN GLY 98 -10.305 -2.703 -2.007 753 HA2 GLY 98 HA2 GLY 98 -10.033 -4.010 0.596 754 HA3 GLY 98 HA1 GLY 98 -11.203 -4.420 -0.656 755 H VAL 99 HN VAL 99 -10.576 -6.638 -0.468 756 HA VAL 99 HA VAL 99 -7.910 -7.483 -0.908 757 HB VAL 99 HB VAL 99 -9.652 -8.893 0.167 758 HG11 VAL 99 HG11 VAL 99 -11.350 -9.967 -1.062 759 HG12 VAL 99 HG12 VAL 99 -10.654 -9.476 -2.605 760 HG13 VAL 99 HG13 VAL 99 -11.415 -8.276 -1.561 761 HG21 VAL 99 HG21 VAL 99 -8.330 -10.106 -2.259 762 HG22 VAL 99 HG22 VAL 99 -8.936 -10.994 -0.860 763 HG23 VAL 99 HG23 VAL 99 -7.583 -9.875 -0.678 764 H GLU 100 HN GLU 100 -10.607 -6.806 -3.042 765 HA GLU 100 HA GLU 100 -9.421 -7.955 -5.376 766 HB2 GLU 100 HB2 GLU 100 -11.355 -5.851 -5.915 767 HB3 GLU 100 HB1 GLU 100 -11.372 -7.533 -6.411 768 HG2 GLU 100 HG2 GLU 100 -12.259 -6.435 -3.775 769 HG3 GLU 100 HG1 GLU 100 -13.316 -6.947 -5.087 770 H GLU 101 HN GLU 101 -10.020 -4.635 -4.312 771 HA GLU 101 HA GLU 101 -8.696 -3.354 -6.425 772 HB2 GLU 101 HB2 GLU 101 -9.368 -2.470 -3.635 773 HB3 GLU 101 HB1 GLU 101 -8.604 -1.404 -4.795 774 HG2 GLU 101 HG2 GLU 101 -11.052 -1.133 -4.647 775 HG3 GLU 101 HG1 GLU 101 -10.475 -1.531 -6.265 776 H PHE 102 HN PHE 102 -7.436 -4.761 -3.477 777 HA PHE 102 HA PHE 102 -5.054 -3.379 -3.203 778 HD1 PHE 102 HD2 PHE 102 -5.036 -3.728 -0.300 779 HD2 PHE 102 HD1 PHE 102 -2.700 -6.370 -2.654 780 HE1 PHE 102 HE2 PHE 102 -3.086 -3.252 1.122 781 HE2 PHE 102 HE1 PHE 102 -0.733 -5.910 -1.241 782 HZ PHE 102 HZ PHE 102 -0.927 -4.344 0.652 783 HB2 PHE 102 HB2 PHE 102 -6.047 -5.391 -1.824 784 HB3 PHE 102 HB1 PHE 102 -5.029 -6.353 -2.882 785 H SER 103 HN SER 103 -5.936 -5.876 -5.490 786 HA SER 103 HA SER 103 -3.284 -6.149 -6.562 787 HG SER 103 HG SER 103 -6.751 -7.879 -7.678 788 HB2 SER 103 HB2 SER 103 -4.358 -7.558 -8.272 789 HB3 SER 103 HB1 SER 103 -4.872 -8.023 -6.650 790 H THR 104 HN THR 104 -6.177 -4.314 -7.331 791 HA THR 104 HA THR 104 -5.551 -3.514 -9.923 792 HB THR 104 HB THR 104 -7.009 -1.860 -7.856 793 HG1 THR 104 HG1 THR 104 -8.041 -3.706 -9.769 794 HG21 THR 104 HG21 THR 104 -8.178 -1.083 -10.038 795 HG22 THR 104 HG22 THR 104 -6.739 -1.710 -10.840 796 HG23 THR 104 HG23 THR 104 -6.591 -0.420 -9.645 797 H LEU 105 HN LEU 105 -4.766 -1.845 -6.846 798 HA LEU 105 HA LEU 105 -3.458 0.309 -8.040 799 HG LEU 105 HG LEU 105 -2.177 -0.042 -4.100 800 HB2 LEU 105 HB2 LEU 105 -3.237 1.049 -5.987 801 HB3 LEU 105 HB1 LEU 105 -4.068 -0.391 -5.474 802 HD11 LEU 105 HD11 LEU 105 -0.873 -2.100 -5.660 803 HD12 LEU 105 HD12 LEU 105 -2.614 -2.348 -5.513 804 HD13 LEU 105 HD13 LEU 105 -1.622 -2.191 -4.064 805 HD21 LEU 105 HD21 LEU 105 -0.267 0.869 -4.797 806 HD22 LEU 105 HD22 LEU 105 -1.121 1.159 -6.317 807 HD23 LEU 105 HD23 LEU 105 -0.108 -0.280 -6.129 808 H VAL 106 HN VAL 106 -2.439 -2.953 -7.577 809 HA VAL 106 HA VAL 106 0.350 -2.601 -7.641 810 HB VAL 106 HB VAL 106 -1.222 -4.924 -8.770 811 HG11 VAL 106 HG11 VAL 106 1.646 -4.742 -7.857 812 HG12 VAL 106 HG12 VAL 106 1.096 -4.870 -9.528 813 HG13 VAL 106 HG13 VAL 106 0.826 -6.205 -8.405 814 HG21 VAL 106 HG21 VAL 106 -1.797 -4.488 -6.432 815 HG22 VAL 106 HG22 VAL 106 -0.087 -4.519 -6.003 816 HG23 VAL 106 HG23 VAL 106 -0.873 -5.983 -6.594 817 H ALA 107 HN ALA 107 -2.059 -2.886 -10.193 818 HA ALA 107 HA ALA 107 -0.140 -2.808 -12.322 819 HB1 ALA 107 HB1 ALA 107 -2.085 -2.631 -13.788 820 HB2 ALA 107 HB2 ALA 107 -3.126 -2.360 -12.390 821 HB3 ALA 107 HB3 ALA 107 -2.312 -3.911 -12.596 822 H GLU 108 HN GLU 108 -1.886 -0.500 -10.419 823 HA GLU 108 HA GLU 108 -1.779 1.723 -12.130 824 HB2 GLU 108 HB2 GLU 108 -1.878 1.473 -9.136 825 HB3 GLU 108 HB1 GLU 108 -1.891 3.034 -9.951 826 HG2 GLU 108 HG2 GLU 108 -3.850 0.907 -10.663 827 HG3 GLU 108 HG1 GLU 108 -4.133 1.983 -9.295 828 H SER 109 HN SER 109 0.172 1.230 -9.206 829 HA SER 109 HA SER 109 2.094 3.119 -9.693 830 HG SER 109 HG SER 109 1.475 0.085 -7.434 831 HB2 SER 109 HB2 SER 109 3.200 0.800 -8.369 832 HB3 SER 109 HB1 SER 109 2.837 2.392 -7.716 Start of MODEL 8 1 HA SER 1 HA SER 1 6.140 -7.198 9.535 2 HG SER 1 HG SER 1 3.653 -6.275 6.984 3 H1 SER 1 HT1 SER 1 6.883 -5.034 8.914 4 H2 SER 1 HT2 SER 1 6.432 -5.275 7.303 5 H3 SER 1 HT3 SER 1 7.697 -6.178 7.969 6 HB2 SER 1 HB2 SER 1 3.720 -6.942 9.090 7 HB3 SER 1 HB1 SER 1 4.466 -5.411 9.550 8 H MET 2 HN MET 2 5.787 -6.612 6.059 9 HA MET 2 HA MET 2 5.337 -9.486 5.646 10 HB2 MET 2 HB2 MET 2 3.741 -7.808 4.657 11 HB3 MET 2 HB1 MET 2 5.054 -7.300 3.600 12 HG2 MET 2 HG2 MET 2 4.133 -8.819 2.223 13 HG3 MET 2 HG1 MET 2 5.145 -9.918 3.156 14 HE1 MET 2 HE1 MET 2 4.262 -11.353 5.199 15 HE2 MET 2 HE2 MET 2 2.570 -11.455 5.684 16 HE3 MET 2 HE3 MET 2 3.484 -9.975 5.977 17 H THR 3 HN THR 3 7.699 -9.632 6.247 18 HA THR 3 HA THR 3 9.533 -8.887 4.115 19 HB THR 3 HB THR 3 11.279 -9.886 5.567 20 HG1 THR 3 HG1 THR 3 10.206 -11.444 6.711 21 HG21 THR 3 HG21 THR 3 9.456 -7.943 6.993 22 HG22 THR 3 HG22 THR 3 10.697 -7.517 5.813 23 HG23 THR 3 HG23 THR 3 11.158 -8.225 7.362 24 H ASP 4 HN ASP 4 7.773 -11.636 5.265 25 HA ASP 4 HA ASP 4 9.309 -13.678 4.042 26 HB2 ASP 4 HB2 ASP 4 6.367 -13.656 4.759 27 HB3 ASP 4 HB1 ASP 4 7.328 -15.089 4.401 28 H LEU 5 HN LEU 5 6.824 -11.519 2.911 29 HA LEU 5 HA LEU 5 6.670 -12.943 0.349 30 HG LEU 5 HG LEU 5 3.127 -12.313 1.519 31 HB2 LEU 5 HB2 LEU 5 4.960 -10.712 1.436 32 HB3 LEU 5 HB1 LEU 5 4.728 -11.487 -0.099 33 HD11 LEU 5 HD11 LEU 5 3.808 -14.771 1.435 34 HD12 LEU 5 HD12 LEU 5 5.248 -14.198 0.595 35 HD13 LEU 5 HD13 LEU 5 3.655 -13.910 -0.097 36 HD21 LEU 5 HD21 LEU 5 5.155 -13.712 3.122 37 HD22 LEU 5 HD22 LEU 5 3.603 -13.023 3.596 38 HD23 LEU 5 HD23 LEU 5 5.005 -11.977 3.392 39 H LEU 6 HN LEU 6 6.579 -9.542 1.353 40 HA LEU 6 HA LEU 6 7.713 -8.644 -1.110 41 HG LEU 6 HG LEU 6 5.183 -7.526 1.280 42 HB2 LEU 6 HB2 LEU 6 7.401 -7.078 1.422 43 HB3 LEU 6 HB1 LEU 6 7.494 -6.464 -0.214 44 HD11 LEU 6 HD11 LEU 6 4.092 -5.928 -0.373 45 HD12 LEU 6 HD12 LEU 6 5.741 -5.501 -0.846 46 HD13 LEU 6 HD13 LEU 6 5.200 -5.235 0.815 47 HD21 LEU 6 HD21 LEU 6 4.214 -7.812 -1.232 48 HD22 LEU 6 HD22 LEU 6 4.707 -9.140 -0.188 49 HD23 LEU 6 HD23 LEU 6 5.818 -8.523 -1.411 50 H SER 7 HN SER 7 9.676 -7.415 -1.309 51 HA SER 7 HA SER 7 11.887 -8.686 -0.086 52 HG SER 7 HG SER 7 11.814 -7.049 -3.391 53 HB2 SER 7 HB2 SER 7 11.969 -6.028 -1.505 54 HB3 SER 7 HB1 SER 7 13.256 -7.224 -1.373 55 H ALA 8 HN ALA 8 12.397 -8.406 1.999 56 HA ALA 8 HA ALA 8 11.535 -6.356 3.657 57 HB1 ALA 8 HB1 ALA 8 12.405 -8.489 4.480 58 HB2 ALA 8 HB2 ALA 8 13.217 -7.123 5.245 59 HB3 ALA 8 HB3 ALA 8 14.027 -8.028 3.965 60 H GLU 9 HN GLU 9 14.311 -6.505 1.539 61 HA GLU 9 HA GLU 9 15.643 -4.235 2.661 62 HB2 GLU 9 HB2 GLU 9 17.204 -4.470 0.894 63 HB3 GLU 9 HB1 GLU 9 16.730 -6.101 1.340 64 HG2 GLU 9 HG2 GLU 9 15.176 -6.147 -0.564 65 HG3 GLU 9 HG1 GLU 9 15.724 -4.535 -1.021 66 H ASP 10 HN ASP 10 13.687 -4.754 -0.273 67 HA ASP 10 HA ASP 10 13.817 -2.222 -1.381 68 HB2 ASP 10 HB2 ASP 10 11.508 -4.156 -1.255 69 HB3 ASP 10 HB1 ASP 10 11.544 -2.744 -2.306 70 H ILE 11 HN ILE 11 11.410 -3.471 0.880 71 HA ILE 11 HA ILE 11 9.928 -1.122 1.213 72 HB ILE 11 HB ILE 11 10.379 -3.370 3.167 73 HG12 ILE 11 HG12 ILE 11 8.265 -3.017 1.049 74 HG13 ILE 11 HG11 ILE 11 9.584 -4.177 1.006 75 HG21 ILE 11 HG21 ILE 11 8.177 -2.702 4.077 76 HG22 ILE 11 HG22 ILE 11 8.170 -1.322 2.975 77 HG23 ILE 11 HG23 ILE 11 9.390 -1.431 4.247 78 HD11 ILE 11 HD11 ILE 11 7.418 -4.138 3.090 79 HD12 ILE 11 HD12 ILE 11 8.662 -5.368 2.867 80 HD13 ILE 11 HD13 ILE 11 7.409 -5.149 1.646 81 H LYS 12 HN LYS 12 12.484 -2.464 3.336 82 HA LYS 12 HA LYS 12 12.505 -0.294 5.110 83 HB2 LYS 12 HB2 LYS 12 14.458 -2.451 4.425 84 HB3 LYS 12 HB1 LYS 12 14.986 -1.113 5.438 85 HG2 LYS 12 HG2 LYS 12 13.492 -1.649 7.139 86 HG3 LYS 12 HG1 LYS 12 12.502 -2.649 6.076 87 HD2 LYS 12 HD2 LYS 12 13.652 -4.230 7.323 88 HD3 LYS 12 HD1 LYS 12 14.645 -4.101 5.869 89 HE2 LYS 12 HE2 LYS 12 15.156 -2.664 8.474 90 HE3 LYS 12 HE1 LYS 12 15.990 -4.119 7.931 91 HZ1 LYS 12 HZ1 LYS 12 17.429 -2.472 7.286 92 HZ2 LYS 12 HZ2 LYS 12 16.202 -1.369 6.917 93 HZ3 LYS 12 HZ3 LYS 12 16.520 -2.659 5.871 94 H LYS 13 HN LYS 13 14.506 -0.958 2.250 95 HA LYS 13 HA LYS 13 16.086 1.366 2.386 96 HB2 LYS 13 HB2 LYS 13 15.247 -0.266 -0.017 97 HB3 LYS 13 HB1 LYS 13 16.522 0.943 -0.020 98 HG2 LYS 13 HG2 LYS 13 17.940 -0.369 1.269 99 HG3 LYS 13 HG1 LYS 13 16.625 -1.393 1.845 100 HD2 LYS 13 HD2 LYS 13 16.442 -2.512 -0.216 101 HD3 LYS 13 HD1 LYS 13 17.369 -1.268 -1.061 102 HE2 LYS 13 HE2 LYS 13 18.510 -3.064 1.072 103 HE3 LYS 13 HE1 LYS 13 18.622 -3.391 -0.657 104 HZ1 LYS 13 HZ1 LYS 13 19.709 -0.994 0.720 105 HZ2 LYS 13 HZ2 LYS 13 19.832 -1.322 -0.935 106 HZ3 LYS 13 HZ3 LYS 13 20.618 -2.317 0.184 107 H ALA 14 HN ALA 14 13.210 0.624 0.458 108 HA ALA 14 HA ALA 14 12.966 3.117 -0.800 109 HB1 ALA 14 HB1 ALA 14 10.692 1.247 -0.201 110 HB2 ALA 14 HB2 ALA 14 11.884 0.940 -1.464 111 HB3 ALA 14 HB3 ALA 14 10.854 2.370 -1.550 112 H ILE 15 HN ILE 15 11.310 1.816 2.060 113 HA ILE 15 HA ILE 15 9.618 3.931 2.547 114 HB ILE 15 HB ILE 15 10.814 1.857 4.302 115 HG12 ILE 15 HG12 ILE 15 8.142 2.634 3.172 116 HG13 ILE 15 HG11 ILE 15 9.114 1.221 2.788 117 HG21 ILE 15 HG21 ILE 15 8.896 2.909 5.911 118 HG22 ILE 15 HG22 ILE 15 9.591 4.374 5.219 119 HG23 ILE 15 HG23 ILE 15 10.617 3.234 6.083 120 HD11 ILE 15 HD11 ILE 15 7.805 0.124 4.208 121 HD12 ILE 15 HD12 ILE 15 7.101 1.626 4.816 122 HD13 ILE 15 HD13 ILE 15 8.609 1.007 5.505 123 H GLY 16 HN GLY 16 12.951 3.454 3.690 124 HA2 GLY 16 HA2 GLY 16 12.951 6.139 4.853 125 HA3 GLY 16 HA1 GLY 16 14.180 4.913 5.100 126 H ALA 17 HN ALA 17 13.695 4.880 1.857 127 HA ALA 17 HA ALA 17 16.130 6.326 1.379 128 HB1 ALA 17 HB1 ALA 17 15.603 5.778 -1.050 129 HB2 ALA 17 HB2 ALA 17 14.233 4.859 -0.424 130 HB3 ALA 17 HB3 ALA 17 15.877 4.423 0.043 131 H PHE 18 HN PHE 18 12.705 6.882 0.606 132 HA PHE 18 HA PHE 18 13.341 9.689 0.203 133 HD1 PHE 18 HD1 PHE 18 11.688 6.356 -0.962 134 HD2 PHE 18 HD2 PHE 18 10.804 9.694 -3.449 135 HE1 PHE 18 HE1 PHE 18 9.722 5.166 -1.859 136 HE2 PHE 18 HE2 PHE 18 8.841 8.513 -4.345 137 HZ PHE 18 HZ PHE 18 8.299 6.248 -3.548 138 HB2 PHE 18 HB2 PHE 18 12.545 9.853 -1.983 139 HB3 PHE 18 HB1 PHE 18 13.462 8.354 -1.990 140 H THR 19 HN THR 19 11.742 11.077 0.731 141 HA THR 19 HA THR 19 9.424 9.958 2.069 142 HB THR 19 HB THR 19 8.982 12.272 2.803 143 HG1 THR 19 HG1 THR 19 9.947 13.900 1.851 144 HG21 THR 19 HG21 THR 19 11.016 12.561 4.178 145 HG22 THR 19 HG22 THR 19 11.836 11.355 3.184 146 HG23 THR 19 HG23 THR 19 10.445 10.893 4.165 147 H ALA 20 HN ALA 20 10.192 11.289 -0.984 148 HA ALA 20 HA ALA 20 8.026 12.651 -1.866 149 HB1 ALA 20 HB1 ALA 20 8.740 12.217 -3.987 150 HB2 ALA 20 HB2 ALA 20 9.059 10.519 -3.647 151 HB3 ALA 20 HB3 ALA 20 10.181 11.756 -3.081 152 H ALA 21 HN ALA 21 8.218 9.266 -1.100 153 HA ALA 21 HA ALA 21 6.046 8.216 -2.437 154 HB1 ALA 21 HB1 ALA 21 6.005 6.482 -0.791 155 HB2 ALA 21 HB2 ALA 21 6.833 7.508 0.380 156 HB3 ALA 21 HB3 ALA 21 7.685 6.945 -1.058 157 H ASP 22 HN ASP 22 5.968 9.267 0.946 158 HA ASP 22 HA ASP 22 3.100 9.441 0.924 159 HB2 ASP 22 HB2 ASP 22 3.366 10.233 3.256 160 HB3 ASP 22 HB1 ASP 22 4.235 8.731 2.957 161 H SER 23 HN SER 23 5.729 11.595 0.355 162 HA SER 23 HA SER 23 4.432 14.020 0.956 163 HG SER 23 HG SER 23 6.621 14.829 -1.879 164 HB2 SER 23 HB2 SER 23 6.695 14.323 0.800 165 HB3 SER 23 HB1 SER 23 6.866 13.212 -0.553 166 H PHE 24 HN PHE 24 5.195 12.738 -2.318 167 HA PHE 24 HA PHE 24 2.936 14.305 -3.310 168 HD1 PHE 24 HD1 PHE 24 3.494 12.256 -6.684 169 HD2 PHE 24 HD2 PHE 24 6.860 12.630 -4.115 170 HE1 PHE 24 HE1 PHE 24 4.522 10.294 -7.755 171 HE2 PHE 24 HE2 PHE 24 7.897 10.669 -5.181 172 HZ PHE 24 HZ PHE 24 6.728 9.501 -7.001 173 HB2 PHE 24 HB2 PHE 24 3.898 14.284 -5.432 174 HB3 PHE 24 HB1 PHE 24 5.272 14.426 -4.345 175 H ASP 25 HN ASP 25 4.190 10.955 -3.648 176 HA ASP 25 HA ASP 25 1.572 9.858 -3.510 177 HB2 ASP 25 HB2 ASP 25 1.384 10.788 -5.754 178 HB3 ASP 25 HB1 ASP 25 2.853 9.953 -6.245 179 H HIS 26 HN HIS 26 1.752 7.870 -2.726 180 HA HIS 26 HA HIS 26 4.267 6.557 -2.485 181 HD1 HIS 26 HD1 HIS 26 4.622 5.533 0.194 182 HD2 HIS 26 HD2 HIS 26 0.954 7.483 0.162 183 HE1 HIS 26 HE1 HIS 26 4.481 6.732 2.399 184 HE2 HIS 26 HE2 HIS 26 2.284 7.963 2.327 185 HB2 HIS 26 HB2 HIS 26 1.449 5.698 -1.847 186 HB3 HIS 26 HB1 HIS 26 2.832 4.648 -1.588 187 H LYS 27 HN LYS 27 2.067 6.650 -5.053 188 HA LYS 27 HA LYS 27 1.846 4.151 -6.033 189 HB2 LYS 27 HB2 LYS 27 0.781 5.990 -7.060 190 HB3 LYS 27 HB1 LYS 27 2.302 6.771 -7.436 191 HG2 LYS 27 HG2 LYS 27 1.862 5.955 -9.431 192 HG3 LYS 27 HG1 LYS 27 2.559 4.482 -8.784 193 HD2 LYS 27 HD2 LYS 27 -0.351 5.230 -8.951 194 HD3 LYS 27 HD1 LYS 27 0.461 3.974 -9.873 195 HE2 LYS 27 HE2 LYS 27 -0.481 2.691 -8.250 196 HE3 LYS 27 HE1 LYS 27 1.031 3.087 -7.442 197 HZ1 LYS 27 HZ1 LYS 27 -1.196 3.371 -6.197 198 HZ2 LYS 27 HZ2 LYS 27 -1.331 4.808 -7.077 199 HZ3 LYS 27 HZ3 LYS 27 -0.018 4.570 -6.042 200 H LYS 28 HN LYS 28 4.595 6.350 -6.614 201 HA LYS 28 HA LYS 28 6.122 4.459 -8.058 202 HB2 LYS 28 HB2 LYS 28 6.945 6.879 -6.443 203 HB3 LYS 28 HB1 LYS 28 8.061 5.948 -7.435 204 HG2 LYS 28 HG2 LYS 28 5.597 6.998 -8.720 205 HG3 LYS 28 HG1 LYS 28 6.890 8.132 -8.336 206 HD2 LYS 28 HD2 LYS 28 7.121 7.294 -10.610 207 HD3 LYS 28 HD1 LYS 28 8.471 6.764 -9.605 208 HE2 LYS 28 HE2 LYS 28 7.520 4.574 -9.380 209 HE3 LYS 28 HE1 LYS 28 6.039 5.085 -10.190 210 HZ1 LYS 28 HZ1 LYS 28 7.313 5.439 -12.212 211 HZ2 LYS 28 HZ2 LYS 28 7.482 3.843 -11.677 212 HZ3 LYS 28 HZ3 LYS 28 8.734 4.954 -11.432 213 H PHE 29 HN PHE 29 6.029 5.435 -4.673 214 HA PHE 29 HA PHE 29 8.028 3.818 -3.650 215 HD1 PHE 29 HD2 PHE 29 8.754 3.624 -1.186 216 HD2 PHE 29 HD1 PHE 29 4.521 3.583 -0.769 217 HE1 PHE 29 HE2 PHE 29 8.971 2.237 0.836 218 HE2 PHE 29 HE1 PHE 29 4.729 2.196 1.254 219 HZ PHE 29 HZ PHE 29 6.954 1.519 2.056 220 HB2 PHE 29 HB2 PHE 29 7.077 5.429 -2.208 221 HB3 PHE 29 HB1 PHE 29 5.447 4.813 -2.455 222 H PHE 30 HN PHE 30 4.775 3.001 -4.650 223 HA PHE 30 HA PHE 30 4.523 0.489 -3.433 224 HD1 PHE 30 HD2 PHE 30 1.637 1.653 -3.100 225 HD2 PHE 30 HD1 PHE 30 2.696 -1.579 -5.649 226 HE1 PHE 30 HE2 PHE 30 -0.040 0.236 -1.988 227 HE2 PHE 30 HE1 PHE 30 1.026 -3.002 -4.543 228 HZ PHE 30 HZ PHE 30 -0.348 -2.100 -2.712 229 HB2 PHE 30 HB2 PHE 30 2.962 1.998 -5.123 230 HB3 PHE 30 HB1 PHE 30 3.417 0.628 -6.132 231 H GLN 31 HN GLN 31 6.233 1.557 -6.236 232 HA GLN 31 HA GLN 31 6.870 -1.093 -7.190 233 HB2 GLN 31 HB2 GLN 31 8.150 1.458 -8.101 234 HB3 GLN 31 HB1 GLN 31 7.861 -0.009 -9.022 235 HG2 GLN 31 HG2 GLN 31 5.413 0.484 -8.853 236 HG3 GLN 31 HG1 GLN 31 5.837 2.034 -8.129 237 HE21 GLN 31 HE21 GLN 31 4.904 3.184 -9.813 238 HE22 GLN 31 HE22 GLN 31 5.628 3.283 -11.378 239 H MET 32 HN MET 32 8.523 1.542 -5.552 240 HA MET 32 HA MET 32 11.068 0.225 -5.482 241 HB2 MET 32 HB2 MET 32 10.555 2.286 -3.443 242 HB3 MET 32 HB1 MET 32 11.885 2.130 -4.572 243 HG2 MET 32 HG2 MET 32 10.335 2.954 -6.360 244 HG3 MET 32 HG1 MET 32 9.168 3.285 -5.077 245 HE1 MET 32 HE1 MET 32 13.272 5.365 -5.449 246 HE2 MET 32 HE2 MET 32 12.663 4.175 -6.598 247 HE3 MET 32 HE3 MET 32 13.094 3.679 -4.963 248 H VAL 33 HN VAL 33 8.317 0.445 -3.367 249 HA VAL 33 HA VAL 33 9.507 -0.522 -1.005 250 HB VAL 33 HB VAL 33 7.342 0.649 -1.042 251 HG11 VAL 33 HG11 VAL 33 6.080 -1.884 -2.014 252 HG12 VAL 33 HG12 VAL 33 6.629 -0.652 -3.143 253 HG13 VAL 33 HG13 VAL 33 5.399 -0.262 -1.941 254 HG21 VAL 33 HG21 VAL 33 8.001 -0.948 0.806 255 HG22 VAL 33 HG22 VAL 33 6.922 -2.105 0.035 256 HG23 VAL 33 HG23 VAL 33 6.282 -0.589 0.656 257 H GLY 34 HN GLY 34 8.376 -2.127 -3.836 258 HA2 GLY 34 HA2 GLY 34 9.147 -4.318 -4.371 259 HA3 GLY 34 HA1 GLY 34 9.264 -4.663 -2.656 260 H LEU 35 HN LEU 35 6.323 -3.140 -3.454 261 HA LEU 35 HA LEU 35 4.797 -5.437 -2.758 262 HG LEU 35 HG LEU 35 3.827 -4.154 -1.274 263 HB2 LEU 35 HB2 LEU 35 4.252 -2.669 -3.604 264 HB3 LEU 35 HB1 LEU 35 3.008 -3.825 -4.036 265 HD11 LEU 35 HD11 LEU 35 2.684 -2.007 -0.545 266 HD12 LEU 35 HD12 LEU 35 2.967 -1.426 -2.186 267 HD13 LEU 35 HD13 LEU 35 4.330 -1.865 -1.158 268 HD21 LEU 35 HD21 LEU 35 1.751 -4.934 -1.314 269 HD22 LEU 35 HD22 LEU 35 1.484 -4.251 -2.916 270 HD23 LEU 35 HD23 LEU 35 1.168 -3.278 -1.481 271 H LYS 36 HN LYS 36 5.893 -4.008 -5.729 272 HA LYS 36 HA LYS 36 4.330 -5.778 -7.389 273 HB2 LYS 36 HB2 LYS 36 6.446 -3.720 -7.966 274 HB3 LYS 36 HB1 LYS 36 5.744 -4.728 -9.224 275 HG2 LYS 36 HG2 LYS 36 3.749 -3.638 -9.182 276 HG3 LYS 36 HG1 LYS 36 3.868 -3.273 -7.457 277 HD2 LYS 36 HD2 LYS 36 4.064 -1.311 -9.134 278 HD3 LYS 36 HD1 LYS 36 5.215 -1.412 -7.827 279 HE2 LYS 36 HE2 LYS 36 6.282 -0.855 -9.938 280 HE3 LYS 36 HE1 LYS 36 6.854 -2.404 -9.338 281 HZ1 LYS 36 HZ1 LYS 36 5.325 -3.504 -10.859 282 HZ2 LYS 36 HZ2 LYS 36 6.396 -2.501 -11.701 283 HZ3 LYS 36 HZ3 LYS 36 4.800 -2.006 -11.444 284 H LYS 37 HN LYS 37 6.734 -6.563 -5.442 285 HA LYS 37 HA LYS 37 8.830 -7.610 -6.868 286 HB2 LYS 37 HB2 LYS 37 8.677 -7.503 -4.399 287 HB3 LYS 37 HB1 LYS 37 7.468 -8.773 -4.444 288 HG2 LYS 37 HG2 LYS 37 10.101 -9.303 -5.705 289 HG3 LYS 37 HG1 LYS 37 10.015 -9.267 -3.946 290 HD2 LYS 37 HD2 LYS 37 8.096 -10.915 -5.557 291 HD3 LYS 37 HD1 LYS 37 9.703 -11.520 -5.162 292 HE2 LYS 37 HE2 LYS 37 8.250 -12.337 -3.483 293 HE3 LYS 37 HE1 LYS 37 9.170 -11.026 -2.750 294 HZ1 LYS 37 HZ1 LYS 37 7.342 -9.642 -2.731 295 HZ2 LYS 37 HZ2 LYS 37 6.639 -11.139 -2.384 296 HZ3 LYS 37 HZ3 LYS 37 6.530 -10.494 -3.944 297 H LYS 38 HN LYS 38 5.747 -9.185 -6.037 298 HA LYS 38 HA LYS 38 6.102 -10.940 -8.362 299 HB2 LYS 38 HB2 LYS 38 6.391 -11.806 -5.732 300 HB3 LYS 38 HB1 LYS 38 4.757 -12.288 -6.168 301 HG2 LYS 38 HG2 LYS 38 5.590 -13.495 -8.093 302 HG3 LYS 38 HG1 LYS 38 7.234 -12.961 -7.743 303 HD2 LYS 38 HD2 LYS 38 5.518 -14.683 -5.954 304 HD3 LYS 38 HD1 LYS 38 6.843 -15.254 -6.971 305 HE2 LYS 38 HE2 LYS 38 8.394 -13.810 -5.713 306 HE3 LYS 38 HE1 LYS 38 7.059 -13.311 -4.672 307 HZ1 LYS 38 HZ1 LYS 38 8.067 -16.092 -4.966 308 HZ2 LYS 38 HZ2 LYS 38 6.803 -15.600 -3.955 309 HZ3 LYS 38 HZ3 LYS 38 8.380 -15.064 -3.657 310 H SER 39 HN SER 39 3.758 -12.452 -7.913 311 HA SER 39 HA SER 39 1.824 -10.858 -9.130 312 HG SER 39 HG SER 39 1.292 -13.683 -10.200 313 HB2 SER 39 HB2 SER 39 1.429 -13.408 -7.546 314 HB3 SER 39 HB1 SER 39 0.259 -12.709 -8.666 315 H ALA 40 HN ALA 40 -0.534 -10.869 -8.089 316 HA ALA 40 HA ALA 40 -0.488 -8.899 -6.058 317 HB1 ALA 40 HB1 ALA 40 -3.034 -9.466 -6.063 318 HB2 ALA 40 HB2 ALA 40 -2.613 -10.434 -7.477 319 HB3 ALA 40 HB3 ALA 40 -2.293 -8.700 -7.468 320 H ASP 41 HN ASP 41 -0.210 -12.266 -5.839 321 HA ASP 41 HA ASP 41 -1.700 -12.821 -3.523 322 HB2 ASP 41 HB2 ASP 41 -0.860 -14.607 -4.923 323 HB3 ASP 41 HB1 ASP 41 0.805 -14.131 -4.595 324 H ASP 42 HN ASP 42 1.657 -11.759 -3.948 325 HA ASP 42 HA ASP 42 2.356 -11.886 -1.211 326 HB2 ASP 42 HB2 ASP 42 3.520 -10.226 -3.457 327 HB3 ASP 42 HB1 ASP 42 4.249 -10.401 -1.864 328 H VAL 43 HN VAL 43 1.406 -9.132 -3.262 329 HA VAL 43 HA VAL 43 1.421 -7.191 -1.238 330 HB VAL 43 HB VAL 43 0.016 -5.849 -2.733 331 HG11 VAL 43 HG11 VAL 43 2.090 -7.383 -4.285 332 HG12 VAL 43 HG12 VAL 43 2.456 -6.083 -3.145 333 HG13 VAL 43 HG13 VAL 43 1.521 -5.745 -4.607 334 HG21 VAL 43 HG21 VAL 43 -0.290 -8.446 -4.205 335 HG22 VAL 43 HG22 VAL 43 -0.631 -6.884 -4.944 336 HG23 VAL 43 HG23 VAL 43 -1.561 -7.421 -3.543 337 H LYS 44 HN LYS 44 -1.094 -9.377 -2.381 338 HA LYS 44 HA LYS 44 -3.227 -8.328 -0.878 339 HB2 LYS 44 HB2 LYS 44 -2.670 -11.021 -2.094 340 HB3 LYS 44 HB1 LYS 44 -4.121 -10.741 -1.140 341 HG2 LYS 44 HG2 LYS 44 -4.935 -9.138 -2.671 342 HG3 LYS 44 HG1 LYS 44 -3.384 -9.045 -3.508 343 HD2 LYS 44 HD2 LYS 44 -3.649 -11.229 -4.412 344 HD3 LYS 44 HD1 LYS 44 -5.039 -11.557 -3.376 345 HE2 LYS 44 HE2 LYS 44 -6.313 -9.823 -4.543 346 HE3 LYS 44 HE1 LYS 44 -4.922 -9.495 -5.575 347 HZ1 LYS 44 HZ1 LYS 44 -5.066 -11.745 -6.432 348 HZ2 LYS 44 HZ2 LYS 44 -6.529 -10.933 -6.669 349 HZ3 LYS 44 HZ3 LYS 44 -6.390 -12.073 -5.428 350 H LYS 45 HN LYS 45 -0.628 -10.511 -0.105 351 HA LYS 45 HA LYS 45 -1.687 -11.550 2.316 352 HB2 LYS 45 HB2 LYS 45 1.029 -11.432 1.057 353 HB3 LYS 45 HB1 LYS 45 0.887 -11.903 2.744 354 HG2 LYS 45 HG2 LYS 45 -0.417 -13.800 2.198 355 HG3 LYS 45 HG1 LYS 45 -0.636 -13.255 0.533 356 HD2 LYS 45 HD2 LYS 45 1.753 -13.539 0.120 357 HD3 LYS 45 HD1 LYS 45 1.990 -14.048 1.793 358 HE2 LYS 45 HE2 LYS 45 0.259 -15.464 -0.230 359 HE3 LYS 45 HE1 LYS 45 1.891 -15.949 0.224 360 HZ1 LYS 45 HZ1 LYS 45 0.193 -17.219 1.404 361 HZ2 LYS 45 HZ2 LYS 45 -0.425 -15.795 2.076 362 HZ3 LYS 45 HZ3 LYS 45 1.134 -16.309 2.478 363 H VAL 46 HN VAL 46 0.871 -9.133 1.721 364 HA VAL 46 HA VAL 46 1.171 -8.261 4.329 365 HB VAL 46 HB VAL 46 2.676 -7.599 2.490 366 HG11 VAL 46 HG11 VAL 46 0.335 -5.910 1.636 367 HG12 VAL 46 HG12 VAL 46 1.152 -7.171 0.713 368 HG13 VAL 46 HG13 VAL 46 1.985 -5.659 1.066 369 HG21 VAL 46 HG21 VAL 46 3.171 -5.432 3.307 370 HG22 VAL 46 HG22 VAL 46 2.477 -6.341 4.648 371 HG23 VAL 46 HG23 VAL 46 1.494 -5.161 3.787 372 H PHE 47 HN PHE 47 -1.305 -7.601 1.987 373 HA PHE 47 HA PHE 47 -2.373 -5.346 3.365 374 HD1 PHE 47 HD2 PHE 47 -3.026 -3.501 2.170 375 HD2 PHE 47 HD1 PHE 47 -6.058 -6.363 1.322 376 HE1 PHE 47 HE2 PHE 47 -4.725 -1.730 2.305 377 HE2 PHE 47 HE1 PHE 47 -7.770 -4.594 1.463 378 HZ PHE 47 HZ PHE 47 -7.096 -2.275 1.956 379 HB2 PHE 47 HB2 PHE 47 -2.669 -5.847 0.903 380 HB3 PHE 47 HB1 PHE 47 -3.863 -7.046 1.396 381 H HIS 48 HN HIS 48 -2.895 -8.795 3.395 382 HA HIS 48 HA HIS 48 -5.352 -8.758 4.820 383 HD1 HIS 48 HD1 HIS 48 -3.651 -11.597 2.015 384 HD2 HIS 48 HD2 HIS 48 -7.197 -10.578 3.923 385 HE1 HIS 48 HE1 HIS 48 -5.471 -12.065 0.344 386 HE2 HIS 48 HE2 HIS 48 -7.615 -11.534 1.556 387 HB2 HIS 48 HB2 HIS 48 -3.261 -10.870 4.337 388 HB3 HIS 48 HB1 HIS 48 -4.625 -11.170 5.408 389 H ILE 49 HN ILE 49 -1.971 -8.827 5.720 390 HA ILE 49 HA ILE 49 -2.179 -9.374 8.441 391 HB ILE 49 HB ILE 49 -0.258 -7.363 7.276 392 HG12 ILE 49 HG12 ILE 49 -0.077 -9.226 5.803 393 HG13 ILE 49 HG11 ILE 49 1.258 -9.371 6.940 394 HG21 ILE 49 HG21 ILE 49 -0.003 -9.307 9.568 395 HG22 ILE 49 HG22 ILE 49 -0.270 -7.570 9.706 396 HG23 ILE 49 HG23 ILE 49 1.238 -8.176 9.026 397 HD11 ILE 49 HD11 ILE 49 0.053 -11.052 8.189 398 HD12 ILE 49 HD12 ILE 49 0.180 -11.516 6.492 399 HD13 ILE 49 HD13 ILE 49 -1.339 -10.875 7.121 400 H LEU 50 HN LEU 50 -2.183 -6.261 6.746 401 HA LEU 50 HA LEU 50 -2.863 -4.803 9.125 402 HG LEU 50 HG LEU 50 -2.880 -4.821 5.453 403 HB2 LEU 50 HB2 LEU 50 -2.703 -2.872 7.697 404 HB3 LEU 50 HB1 LEU 50 -1.344 -3.937 7.417 405 HD11 LEU 50 HD11 LEU 50 -4.074 -2.914 4.414 406 HD12 LEU 50 HD12 LEU 50 -3.831 -2.000 5.902 407 HD13 LEU 50 HD13 LEU 50 -4.806 -3.469 5.919 408 HD21 LEU 50 HD21 LEU 50 -1.739 -3.241 3.959 409 HD22 LEU 50 HD22 LEU 50 -0.650 -3.907 5.178 410 HD23 LEU 50 HD23 LEU 50 -1.278 -2.269 5.357 411 H ASP 51 HN ASP 51 -4.539 -6.034 6.287 412 HA ASP 51 HA ASP 51 -6.957 -4.554 6.917 413 HB2 ASP 51 HB2 ASP 51 -6.267 -4.943 4.564 414 HB3 ASP 51 HB1 ASP 51 -6.510 -6.669 4.807 415 H LYS 52 HN LYS 52 -5.710 -6.932 8.552 416 HA LYS 52 HA LYS 52 -7.565 -9.043 8.474 417 HB2 LYS 52 HB2 LYS 52 -6.613 -9.755 10.559 418 HB3 LYS 52 HB1 LYS 52 -5.318 -9.122 9.550 419 HG2 LYS 52 HG2 LYS 52 -5.175 -7.130 10.804 420 HG3 LYS 52 HG1 LYS 52 -6.688 -7.472 11.646 421 HD2 LYS 52 HD2 LYS 52 -4.714 -7.903 13.053 422 HD3 LYS 52 HD1 LYS 52 -5.672 -9.359 12.771 423 HE2 LYS 52 HE2 LYS 52 -4.107 -10.019 10.993 424 HE3 LYS 52 HE1 LYS 52 -3.140 -8.582 11.325 425 HZ1 LYS 52 HZ1 LYS 52 -2.742 -9.413 13.560 426 HZ2 LYS 52 HZ2 LYS 52 -2.214 -10.528 12.403 427 HZ3 LYS 52 HZ3 LYS 52 -3.662 -10.796 13.235 428 H ASP 53 HN ASP 53 -7.597 -5.955 10.147 429 HA ASP 53 HA ASP 53 -10.165 -6.694 11.384 430 HB2 ASP 53 HB2 ASP 53 -8.161 -4.580 12.194 431 HB3 ASP 53 HB1 ASP 53 -9.741 -4.783 12.942 432 H LYS 54 HN LYS 54 -9.702 -5.717 8.607 433 HA LYS 54 HA LYS 54 -11.247 -3.219 8.765 434 HB2 LYS 54 HB2 LYS 54 -9.569 -4.136 6.447 435 HB3 LYS 54 HB1 LYS 54 -10.371 -2.583 6.650 436 HG2 LYS 54 HG2 LYS 54 -8.042 -3.646 8.217 437 HG3 LYS 54 HG1 LYS 54 -8.059 -2.270 7.113 438 HD2 LYS 54 HD2 LYS 54 -9.492 -2.491 9.758 439 HD3 LYS 54 HD1 LYS 54 -8.088 -1.484 9.400 440 HE2 LYS 54 HE2 LYS 54 -9.410 -0.196 7.805 441 HE3 LYS 54 HE1 LYS 54 -10.810 -1.218 8.129 442 HZ1 LYS 54 HZ1 LYS 54 -9.447 0.544 10.095 443 HZ2 LYS 54 HZ2 LYS 54 -10.768 -0.456 10.432 444 HZ3 LYS 54 HZ3 LYS 54 -10.945 0.842 9.364 445 H SER 55 HN SER 55 -11.712 -6.417 8.262 446 HA SER 55 HA SER 55 -13.435 -7.622 7.412 447 HG SER 55 HG SER 55 -14.735 -6.695 9.051 448 HB2 SER 55 HB2 SER 55 -14.649 -4.903 6.876 449 HB3 SER 55 HB1 SER 55 -15.507 -6.438 6.760 450 H GLY 56 HN GLY 56 -11.185 -6.575 5.695 451 HA2 GLY 56 HA2 GLY 56 -10.640 -7.316 3.531 452 HA3 GLY 56 HA1 GLY 56 -12.351 -7.482 3.183 453 H PHE 57 HN PHE 57 -12.347 -4.544 4.455 454 HA PHE 57 HA PHE 57 -11.411 -3.182 2.032 455 HD1 PHE 57 HD1 PHE 57 -13.323 -3.281 -0.200 456 HD2 PHE 57 HD2 PHE 57 -15.134 -4.674 3.390 457 HE1 PHE 57 HE1 PHE 57 -14.449 -5.067 -1.465 458 HE2 PHE 57 HE2 PHE 57 -16.261 -6.463 2.133 459 HZ PHE 57 HZ PHE 57 -15.918 -6.662 -0.298 460 HB2 PHE 57 HB2 PHE 57 -14.068 -2.550 3.323 461 HB3 PHE 57 HB1 PHE 57 -13.422 -1.886 1.820 462 H ILE 58 HN ILE 58 -10.236 -1.470 2.436 463 HA ILE 58 HA ILE 58 -10.329 -0.259 5.127 464 HB ILE 58 HB ILE 58 -8.002 0.001 3.246 465 HG12 ILE 58 HG12 ILE 58 -8.541 -2.222 5.222 466 HG13 ILE 58 HG11 ILE 58 -8.289 -2.382 3.486 467 HG21 ILE 58 HG21 ILE 58 -6.806 0.299 5.413 468 HG22 ILE 58 HG22 ILE 58 -8.372 0.241 6.224 469 HG23 ILE 58 HG23 ILE 58 -8.019 1.535 5.081 470 HD11 ILE 58 HD11 ILE 58 -5.981 -1.311 3.997 471 HD12 ILE 58 HD12 ILE 58 -6.256 -3.019 4.331 472 HD13 ILE 58 HD13 ILE 58 -6.310 -1.845 5.646 473 H GLU 59 HN GLU 59 -10.299 1.918 5.338 474 HA GLU 59 HA GLU 59 -11.318 3.319 2.989 475 HB2 GLU 59 HB2 GLU 59 -11.659 3.538 5.922 476 HB3 GLU 59 HB1 GLU 59 -11.866 5.004 4.955 477 HG2 GLU 59 HG2 GLU 59 -13.491 3.658 3.549 478 HG3 GLU 59 HG1 GLU 59 -13.420 2.438 4.818 479 H GLU 60 HN GLU 60 -10.149 4.653 1.977 480 HA GLU 60 HA GLU 60 -7.565 5.278 2.155 481 HB2 GLU 60 HB2 GLU 60 -8.095 7.360 0.909 482 HB3 GLU 60 HB1 GLU 60 -8.910 5.930 0.281 483 HG2 GLU 60 HG2 GLU 60 -10.964 6.561 1.110 484 HG3 GLU 60 HG1 GLU 60 -10.233 7.634 2.299 485 H ASP 61 HN ASP 61 -10.095 6.789 4.054 486 HA ASP 61 HA ASP 61 -8.516 8.948 5.019 487 HB2 ASP 61 HB2 ASP 61 -11.026 7.666 6.129 488 HB3 ASP 61 HB1 ASP 61 -10.327 9.171 6.727 489 H GLU 62 HN GLU 62 -9.551 5.891 6.518 490 HA GLU 62 HA GLU 62 -7.803 6.243 8.773 491 HB2 GLU 62 HB2 GLU 62 -9.234 3.732 7.883 492 HB3 GLU 62 HB1 GLU 62 -8.582 4.066 9.482 493 HG2 GLU 62 HG2 GLU 62 -10.219 5.810 9.823 494 HG3 GLU 62 HG1 GLU 62 -10.836 5.582 8.188 495 H LEU 63 HN LEU 63 -7.541 4.989 5.605 496 HA LEU 63 HA LEU 63 -5.723 2.979 5.697 497 HG LEU 63 HG LEU 63 -4.823 3.641 2.175 498 HB2 LEU 63 HB2 LEU 63 -6.831 4.310 3.728 499 HB3 LEU 63 HB1 LEU 63 -5.322 5.204 3.758 500 HD11 LEU 63 HD11 LEU 63 -3.145 3.410 3.899 501 HD12 LEU 63 HD12 LEU 63 -3.439 1.857 3.116 502 HD13 LEU 63 HD13 LEU 63 -4.119 2.185 4.710 503 HD21 LEU 63 HD21 LEU 63 -5.606 1.301 2.219 504 HD22 LEU 63 HD22 LEU 63 -6.917 2.479 2.189 505 HD23 LEU 63 HD23 LEU 63 -6.497 1.663 3.695 506 H GLY 64 HN GLY 64 -5.050 6.426 5.829 507 HA2 GLY 64 HA2 GLY 64 -2.276 6.396 5.767 508 HA3 GLY 64 HA1 GLY 64 -3.243 7.615 6.595 509 H SER 65 HN SER 65 -4.417 5.620 8.416 510 HA SER 65 HA SER 65 -2.326 5.657 10.400 511 HG SER 65 HG SER 65 -3.647 3.776 12.190 512 HB2 SER 65 HB2 SER 65 -4.696 6.125 10.989 513 HB3 SER 65 HB1 SER 65 -5.109 4.467 10.544 514 H ILE 66 HN ILE 66 -4.399 3.109 9.042 515 HA ILE 66 HA ILE 66 -2.976 0.935 10.070 516 HB ILE 66 HB ILE 66 -5.210 0.693 9.144 517 HG12 ILE 66 HG12 ILE 66 -4.889 -1.391 7.936 518 HG13 ILE 66 HG11 ILE 66 -3.220 -0.943 7.612 519 HG21 ILE 66 HG21 ILE 66 -4.065 0.913 6.389 520 HG22 ILE 66 HG22 ILE 66 -4.733 2.308 7.236 521 HG23 ILE 66 HG23 ILE 66 -5.756 0.917 6.886 522 HD11 ILE 66 HD11 ILE 66 -3.508 -2.594 9.446 523 HD12 ILE 66 HD12 ILE 66 -4.330 -1.337 10.371 524 HD13 ILE 66 HD13 ILE 66 -2.639 -1.132 9.912 525 H LEU 67 HN LEU 67 -2.158 3.101 7.545 526 HA LEU 67 HA LEU 67 -0.686 1.726 5.728 527 HG LEU 67 HG LEU 67 -1.428 4.205 4.616 528 HB2 LEU 67 HB2 LEU 67 -0.700 4.380 6.854 529 HB3 LEU 67 HB1 LEU 67 0.933 3.903 6.445 530 HD11 LEU 67 HD11 LEU 67 0.519 5.519 3.447 531 HD12 LEU 67 HD12 LEU 67 1.182 5.538 5.082 532 HD13 LEU 67 HD13 LEU 67 -0.403 6.236 4.766 533 HD21 LEU 67 HD21 LEU 67 -0.549 2.249 3.738 534 HD22 LEU 67 HD22 LEU 67 1.100 2.658 4.214 535 HD23 LEU 67 HD23 LEU 67 0.340 3.491 2.860 536 H LYS 68 HN LYS 68 0.059 2.178 9.093 537 HA LYS 68 HA LYS 68 2.761 1.902 9.218 538 HB2 LYS 68 HB2 LYS 68 0.726 0.623 11.029 539 HB3 LYS 68 HB1 LYS 68 2.428 0.864 11.404 540 HG2 LYS 68 HG2 LYS 68 2.193 3.158 11.604 541 HG3 LYS 68 HG1 LYS 68 0.707 3.188 10.652 542 HD2 LYS 68 HD2 LYS 68 -0.475 2.052 12.465 543 HD3 LYS 68 HD1 LYS 68 1.011 2.020 13.418 544 HE2 LYS 68 HE2 LYS 68 1.058 4.476 13.396 545 HE3 LYS 68 HE1 LYS 68 -0.445 4.489 12.476 546 HZ1 LYS 68 HZ1 LYS 68 -0.091 3.399 15.217 547 HZ2 LYS 68 HZ2 LYS 68 -1.534 3.372 14.334 548 HZ3 LYS 68 HZ3 LYS 68 -0.866 4.849 14.816 549 H GLY 69 HN GLY 69 0.508 -0.553 8.187 550 HA2 GLY 69 HA2 GLY 69 1.735 -2.927 8.720 551 HA3 GLY 69 HA1 GLY 69 1.009 -2.577 7.154 552 H PHE 70 HN PHE 70 2.535 -0.918 5.899 553 HA PHE 70 HA PHE 70 5.139 -2.242 5.759 554 HD1 PHE 70 HD2 PHE 70 1.970 -2.511 4.079 555 HD2 PHE 70 HD1 PHE 70 3.842 1.116 2.862 556 HE1 PHE 70 HE2 PHE 70 -0.201 -1.656 3.303 557 HE2 PHE 70 HE1 PHE 70 1.663 1.984 2.077 558 HZ PHE 70 HZ PHE 70 -0.354 0.588 2.299 559 HB2 PHE 70 HB2 PHE 70 5.150 -0.654 3.579 560 HB3 PHE 70 HB1 PHE 70 4.502 -2.286 3.577 561 H SER 71 HN SER 71 3.573 0.846 5.991 562 HA SER 71 HA SER 71 5.843 2.505 5.987 563 HG SER 71 HG SER 71 3.868 3.643 4.420 564 HB2 SER 71 HB2 SER 71 3.131 3.204 7.088 565 HB3 SER 71 HB1 SER 71 4.352 4.288 6.420 566 H SER 72 HN SER 72 5.072 0.358 8.370 567 HA SER 72 HA SER 72 4.989 1.665 10.763 568 HG SER 72 HG SER 72 7.154 -0.942 12.091 569 HB2 SER 72 HB2 SER 72 5.003 -0.747 10.714 570 HB3 SER 72 HB1 SER 72 6.637 -0.772 10.054 571 H ASP 73 HN ASP 73 7.648 1.590 8.523 572 HA ASP 73 HA ASP 73 9.347 3.041 10.423 573 HB2 ASP 73 HB2 ASP 73 10.203 2.039 7.722 574 HB3 ASP 73 HB1 ASP 73 11.197 2.452 9.115 575 H ALA 74 HN ALA 74 7.529 3.344 7.489 576 HA ALA 74 HA ALA 74 8.701 5.884 6.734 577 HB1 ALA 74 HB1 ALA 74 6.248 5.272 5.357 578 HB2 ALA 74 HB2 ALA 74 7.312 3.870 5.382 579 HB3 ALA 74 HB3 ALA 74 7.887 5.400 4.722 580 H ARG 75 HN ARG 75 6.426 7.198 5.783 581 HA ARG 75 HA ARG 75 5.277 8.184 8.293 582 HE ARG 75 HE ARG 75 6.085 11.265 8.471 583 HB2 ARG 75 HB2 ARG 75 4.972 9.505 5.611 584 HB3 ARG 75 HB1 ARG 75 4.904 10.234 7.207 585 HG2 ARG 75 HG2 ARG 75 7.370 9.169 5.849 586 HG3 ARG 75 HG1 ARG 75 6.934 10.868 6.045 587 HD2 ARG 75 HD2 ARG 75 7.523 8.902 8.256 588 HD3 ARG 75 HD1 ARG 75 8.580 10.206 7.704 589 HH11 ARG 75 HH11 ARG 75 8.963 9.852 9.828 590 HH12 ARG 75 HH12 ARG 75 8.812 10.679 11.343 591 HH21 ARG 75 HH21 ARG 75 5.877 12.363 10.459 592 HH22 ARG 75 HH22 ARG 75 7.059 12.110 11.701 593 H ASP 76 HN ASP 76 3.034 9.479 7.082 594 HA ASP 76 HA ASP 76 1.341 7.131 6.561 595 HB2 ASP 76 HB2 ASP 76 0.430 9.833 7.552 596 HB3 ASP 76 HB1 ASP 76 -0.478 8.326 7.548 597 H LEU 77 HN LEU 77 -0.833 8.006 5.416 598 HA LEU 77 HA LEU 77 0.084 9.407 2.995 599 HG LEU 77 HG LEU 77 -3.193 7.980 3.774 600 HB2 LEU 77 HB2 LEU 77 -1.152 8.019 1.681 601 HB3 LEU 77 HB1 LEU 77 -0.757 6.935 2.987 602 HD11 LEU 77 HD11 LEU 77 -4.639 7.732 1.842 603 HD12 LEU 77 HD12 LEU 77 -3.239 7.389 0.821 604 HD13 LEU 77 HD13 LEU 77 -3.441 8.992 1.538 605 HD21 LEU 77 HD21 LEU 77 -3.077 5.758 4.147 606 HD22 LEU 77 HD22 LEU 77 -2.113 5.463 2.706 607 HD23 LEU 77 HD23 LEU 77 -3.861 5.647 2.574 608 H SER 78 HN SER 78 -0.746 11.307 2.542 609 HA SER 78 HA SER 78 -2.908 12.314 4.237 610 HG SER 78 HG SER 78 -0.272 14.504 4.586 611 HB2 SER 78 HB2 SER 78 -1.048 13.820 2.386 612 HB3 SER 78 HB1 SER 78 -2.182 14.538 3.531 613 H ALA 79 HN ALA 79 -3.969 14.320 2.819 614 HA ALA 79 HA ALA 79 -5.999 13.228 1.352 615 HB1 ALA 79 HB1 ALA 79 -6.489 15.432 0.561 616 HB2 ALA 79 HB2 ALA 79 -4.822 15.948 0.831 617 HB3 ALA 79 HB3 ALA 79 -5.863 15.566 2.205 618 H LYS 80 HN LYS 80 -3.037 14.697 0.027 619 HA LYS 80 HA LYS 80 -3.509 14.355 -2.659 620 HB2 LYS 80 HB2 LYS 80 -0.888 14.059 -1.182 621 HB3 LYS 80 HB1 LYS 80 -1.030 14.201 -2.930 622 HG2 LYS 80 HG2 LYS 80 -2.278 16.395 -2.439 623 HG3 LYS 80 HG1 LYS 80 -1.574 16.255 -0.826 624 HD2 LYS 80 HD2 LYS 80 0.674 16.085 -1.886 625 HD3 LYS 80 HD1 LYS 80 -0.089 16.382 -3.449 626 HE2 LYS 80 HE2 LYS 80 -0.960 18.528 -2.564 627 HE3 LYS 80 HE1 LYS 80 -0.059 18.242 -1.076 628 HZ1 LYS 80 HZ1 LYS 80 1.095 18.560 -3.794 629 HZ2 LYS 80 HZ2 LYS 80 1.987 18.207 -2.400 630 HZ3 LYS 80 HZ3 LYS 80 1.176 19.685 -2.532 631 H GLU 81 HN GLU 81 -1.880 12.030 -0.524 632 HA GLU 81 HA GLU 81 -1.774 9.986 -2.481 633 HB2 GLU 81 HB2 GLU 81 -1.593 9.352 0.397 634 HB3 GLU 81 HB1 GLU 81 -0.645 8.751 -0.930 635 HG2 GLU 81 HG2 GLU 81 -0.366 11.406 0.441 636 HG3 GLU 81 HG1 GLU 81 0.763 10.057 0.474 637 H THR 82 HN THR 82 -4.057 10.907 0.003 638 HA THR 82 HA THR 82 -5.487 8.481 0.136 639 HB THR 82 HB THR 82 -6.481 11.335 0.416 640 HG1 THR 82 HG1 THR 82 -5.697 11.210 2.378 641 HG21 THR 82 HG21 THR 82 -8.131 9.278 0.016 642 HG22 THR 82 HG22 THR 82 -8.515 10.597 1.118 643 HG23 THR 82 HG23 THR 82 -7.872 9.082 1.748 644 H LYS 83 HN LYS 83 -5.889 11.390 -1.788 645 HA LYS 83 HA LYS 83 -7.846 10.282 -3.543 646 HB2 LYS 83 HB2 LYS 83 -6.174 12.790 -3.778 647 HB3 LYS 83 HB1 LYS 83 -7.557 12.392 -4.787 648 HG2 LYS 83 HG2 LYS 83 -8.024 12.384 -1.876 649 HG3 LYS 83 HG1 LYS 83 -7.705 13.952 -2.617 650 HD2 LYS 83 HD2 LYS 83 -10.106 13.444 -2.542 651 HD3 LYS 83 HD1 LYS 83 -9.518 13.598 -4.197 652 HE2 LYS 83 HE2 LYS 83 -9.380 11.155 -4.366 653 HE3 LYS 83 HE1 LYS 83 -9.994 11.014 -2.718 654 HZ1 LYS 83 HZ1 LYS 83 -11.743 10.697 -4.359 655 HZ2 LYS 83 HZ2 LYS 83 -11.453 12.234 -5.000 656 HZ3 LYS 83 HZ3 LYS 83 -12.042 12.074 -3.424 657 H THR 84 HN THR 84 -4.342 10.553 -3.541 658 HA THR 84 HA THR 84 -4.177 9.879 -6.340 659 HB THR 84 HB THR 84 -1.975 10.395 -4.368 660 HG1 THR 84 HG1 THR 84 -3.212 11.976 -6.386 661 HG21 THR 84 HG21 THR 84 -1.242 8.930 -6.200 662 HG22 THR 84 HG22 THR 84 -0.505 10.529 -6.314 663 HG23 THR 84 HG23 THR 84 -1.849 10.099 -7.372 664 H LEU 85 HN LEU 85 -2.845 8.497 -3.373 665 HA LEU 85 HA LEU 85 -1.962 6.125 -4.675 666 HG LEU 85 HG LEU 85 -2.261 4.413 -1.994 667 HB2 LEU 85 HB2 LEU 85 -0.724 6.877 -2.807 668 HB3 LEU 85 HB1 LEU 85 -2.144 6.910 -1.785 669 HD11 LEU 85 HD11 LEU 85 -0.150 3.288 -2.693 670 HD12 LEU 85 HD12 LEU 85 0.389 4.833 -3.351 671 HD13 LEU 85 HD13 LEU 85 -1.045 4.049 -4.008 672 HD21 LEU 85 HD21 LEU 85 -1.416 5.023 0.039 673 HD22 LEU 85 HD22 LEU 85 -0.055 5.896 -0.662 674 HD23 LEU 85 HD23 LEU 85 -0.040 4.133 -0.613 675 H MET 86 HN MET 86 -4.652 6.731 -2.377 676 HA MET 86 HA MET 86 -5.469 3.997 -2.520 677 HB2 MET 86 HB2 MET 86 -5.923 5.966 -0.731 678 HB3 MET 86 HB1 MET 86 -7.428 6.019 -1.633 679 HG2 MET 86 HG2 MET 86 -7.532 4.578 0.358 680 HG3 MET 86 HG1 MET 86 -7.877 3.719 -1.139 681 HE1 MET 86 HE1 MET 86 -4.551 4.941 0.402 682 HE2 MET 86 HE2 MET 86 -4.064 4.275 -1.156 683 HE3 MET 86 HE3 MET 86 -3.544 3.496 0.336 684 H ALA 87 HN ALA 87 -6.861 7.026 -3.808 685 HA ALA 87 HA ALA 87 -8.993 5.895 -5.184 686 HB1 ALA 87 HB1 ALA 87 -7.550 8.093 -6.538 687 HB2 ALA 87 HB2 ALA 87 -8.136 8.399 -4.901 688 HB3 ALA 87 HB3 ALA 87 -9.266 7.917 -6.171 689 H ALA 88 HN ALA 88 -5.574 6.067 -6.050 690 HA ALA 88 HA ALA 88 -5.910 5.088 -8.708 691 HB1 ALA 88 HB1 ALA 88 -3.472 4.745 -8.647 692 HB2 ALA 88 HB2 ALA 88 -3.476 5.102 -6.920 693 HB3 ALA 88 HB3 ALA 88 -3.928 6.352 -8.080 694 H GLY 89 HN GLY 89 -4.791 3.580 -5.670 695 HA2 GLY 89 HA2 GLY 89 -4.514 0.971 -6.632 696 HA3 GLY 89 HA1 GLY 89 -4.857 1.395 -4.956 697 H ASP 90 HN ASP 90 -7.309 2.682 -5.363 698 HA ASP 90 HA ASP 90 -9.043 0.389 -5.876 699 HB2 ASP 90 HB2 ASP 90 -10.782 1.634 -4.704 700 HB3 ASP 90 HB1 ASP 90 -9.322 1.594 -3.726 701 H LYS 91 HN LYS 91 -7.839 1.575 -8.068 702 HA LYS 91 HA LYS 91 -8.686 3.531 -9.567 703 HB2 LYS 91 HB2 LYS 91 -7.254 1.523 -10.107 704 HB3 LYS 91 HB1 LYS 91 -8.739 0.710 -10.572 705 HG2 LYS 91 HG2 LYS 91 -7.706 3.244 -11.803 706 HG3 LYS 91 HG1 LYS 91 -7.504 1.615 -12.435 707 HD2 LYS 91 HD2 LYS 91 -10.140 1.595 -12.123 708 HD3 LYS 91 HD1 LYS 91 -9.909 3.328 -12.368 709 HE2 LYS 91 HE2 LYS 91 -8.755 2.898 -14.467 710 HE3 LYS 91 HE1 LYS 91 -8.924 1.162 -14.222 711 HZ1 LYS 91 HZ1 LYS 91 -11.321 1.410 -14.336 712 HZ2 LYS 91 HZ2 LYS 91 -10.600 2.017 -15.739 713 HZ3 LYS 91 HZ3 LYS 91 -11.166 3.081 -14.554 714 H ASP 92 HN ASP 92 -10.727 0.714 -8.920 715 HA ASP 92 HA ASP 92 -12.760 1.210 -10.737 716 HB2 ASP 92 HB2 ASP 92 -12.653 -0.823 -9.355 717 HB3 ASP 92 HB1 ASP 92 -13.072 0.124 -7.929 718 H GLY 93 HN GLY 93 -11.905 3.024 -7.946 719 HA2 GLY 93 HA2 GLY 93 -12.600 5.187 -7.462 720 HA3 GLY 93 HA1 GLY 93 -13.959 4.973 -8.558 721 H ASP 94 HN ASP 94 -12.893 3.195 -5.661 722 HA ASP 94 HA ASP 94 -15.575 3.652 -4.530 723 HB2 ASP 94 HB2 ASP 94 -13.660 1.370 -4.003 724 HB3 ASP 94 HB1 ASP 94 -15.241 1.569 -3.256 725 H GLY 95 HN GLY 95 -12.420 4.636 -4.233 726 HA2 GLY 95 HA2 GLY 95 -11.295 5.797 -2.634 727 HA3 GLY 95 HA1 GLY 95 -12.825 6.008 -1.807 728 H LYS 96 HN LYS 96 -11.992 2.785 -2.361 729 HA LYS 96 HA LYS 96 -10.535 2.451 0.128 730 HB2 LYS 96 HB2 LYS 96 -13.129 0.948 -0.359 731 HB3 LYS 96 HB1 LYS 96 -12.082 0.798 1.037 732 HG2 LYS 96 HG2 LYS 96 -13.238 2.361 2.072 733 HG3 LYS 96 HG1 LYS 96 -12.801 3.522 0.823 734 HD2 LYS 96 HD2 LYS 96 -14.747 2.178 -0.456 735 HD3 LYS 96 HD1 LYS 96 -15.297 2.000 1.211 736 HE2 LYS 96 HE2 LYS 96 -14.525 4.650 0.009 737 HE3 LYS 96 HE1 LYS 96 -16.173 4.020 -0.030 738 HZ1 LYS 96 HZ1 LYS 96 -15.999 3.854 2.452 739 HZ2 LYS 96 HZ2 LYS 96 -16.021 5.429 1.836 740 HZ3 LYS 96 HZ3 LYS 96 -14.562 4.744 2.350 741 H ILE 97 HN ILE 97 -9.256 0.600 0.117 742 HA ILE 97 HA ILE 97 -9.310 -0.899 -2.417 743 HB ILE 97 HB ILE 97 -6.965 -0.483 -0.557 744 HG12 ILE 97 HG12 ILE 97 -7.654 0.758 -3.229 745 HG13 ILE 97 HG11 ILE 97 -7.478 1.591 -1.688 746 HG21 ILE 97 HG21 ILE 97 -6.742 -2.586 -1.657 747 HG22 ILE 97 HG22 ILE 97 -5.676 -1.445 -2.476 748 HG23 ILE 97 HG23 ILE 97 -7.215 -1.894 -3.207 749 HD11 ILE 97 HD11 ILE 97 -5.543 1.963 -3.084 750 HD12 ILE 97 HD12 ILE 97 -5.292 0.225 -3.239 751 HD13 ILE 97 HD13 ILE 97 -5.094 1.006 -1.671 752 H GLY 98 HN GLY 98 -10.241 -2.820 -2.173 753 HA2 GLY 98 HA2 GLY 98 -9.955 -4.260 0.354 754 HA3 GLY 98 HA1 GLY 98 -11.028 -4.692 -0.974 755 H VAL 99 HN VAL 99 -10.050 -6.872 -0.500 756 HA VAL 99 HA VAL 99 -7.348 -7.409 -1.045 757 HB VAL 99 HB VAL 99 -8.857 -9.026 0.061 758 HG11 VAL 99 HG11 VAL 99 -10.473 -10.282 -1.110 759 HG12 VAL 99 HG12 VAL 99 -9.929 -9.670 -2.670 760 HG13 VAL 99 HG13 VAL 99 -10.763 -8.598 -1.546 761 HG21 VAL 99 HG21 VAL 99 -6.747 -9.798 -0.860 762 HG22 VAL 99 HG22 VAL 99 -7.502 -10.051 -2.433 763 HG23 VAL 99 HG23 VAL 99 -7.986 -11.037 -1.053 764 H GLU 100 HN GLU 100 -10.106 -7.000 -3.146 765 HA GLU 100 HA GLU 100 -8.863 -8.068 -5.487 766 HB2 GLU 100 HB2 GLU 100 -10.975 -6.131 -6.001 767 HB3 GLU 100 HB1 GLU 100 -10.852 -7.808 -6.504 768 HG2 GLU 100 HG2 GLU 100 -11.798 -6.797 -3.854 769 HG3 GLU 100 HG1 GLU 100 -12.822 -7.405 -5.152 770 H GLU 101 HN GLU 101 -9.727 -4.798 -4.446 771 HA GLU 101 HA GLU 101 -8.588 -3.408 -6.574 772 HB2 GLU 101 HB2 GLU 101 -9.167 -2.627 -3.737 773 HB3 GLU 101 HB1 GLU 101 -8.488 -1.493 -4.890 774 HG2 GLU 101 HG2 GLU 101 -10.958 -1.370 -4.637 775 HG3 GLU 101 HG1 GLU 101 -10.393 -1.622 -6.289 776 H PHE 102 HN PHE 102 -7.079 -4.499 -3.560 777 HA PHE 102 HA PHE 102 -4.742 -3.021 -3.659 778 HD1 PHE 102 HD2 PHE 102 -4.717 -2.661 -1.039 779 HD2 PHE 102 HD1 PHE 102 -2.256 -5.835 -2.392 780 HE1 PHE 102 HE2 PHE 102 -2.842 -1.752 0.275 781 HE2 PHE 102 HE1 PHE 102 -0.366 -4.945 -1.078 782 HZ PHE 102 HZ PHE 102 -0.662 -2.897 0.254 783 HB2 PHE 102 HB2 PHE 102 -5.611 -4.892 -1.979 784 HB3 PHE 102 HB1 PHE 102 -4.477 -5.876 -2.899 785 H SER 103 HN SER 103 -5.775 -5.613 -5.696 786 HA SER 103 HA SER 103 -3.173 -6.155 -6.789 787 HG SER 103 HG SER 103 -6.851 -7.321 -7.772 788 HB2 SER 103 HB2 SER 103 -4.297 -7.622 -8.321 789 HB3 SER 103 HB1 SER 103 -5.088 -7.812 -6.757 790 H THR 104 HN THR 104 -6.031 -4.299 -7.735 791 HA THR 104 HA THR 104 -5.239 -3.483 -10.270 792 HB THR 104 HB THR 104 -6.774 -1.763 -8.307 793 HG1 THR 104 HG1 THR 104 -7.918 -3.572 -10.173 794 HG21 THR 104 HG21 THR 104 -7.889 -1.006 -10.445 795 HG22 THR 104 HG22 THR 104 -6.618 -1.863 -11.318 796 HG23 THR 104 HG23 THR 104 -6.204 -0.516 -10.258 797 H LEU 105 HN LEU 105 -4.522 -2.072 -7.106 798 HA LEU 105 HA LEU 105 -3.182 0.232 -7.902 799 HG LEU 105 HG LEU 105 -2.795 1.510 -5.686 800 HB2 LEU 105 HB2 LEU 105 -3.803 -0.675 -5.545 801 HB3 LEU 105 HB1 LEU 105 -2.235 -1.451 -5.596 802 HD11 LEU 105 HD11 LEU 105 -1.244 1.328 -3.629 803 HD12 LEU 105 HD12 LEU 105 -1.721 -0.371 -3.633 804 HD13 LEU 105 HD13 LEU 105 -2.943 0.887 -3.469 805 HD21 LEU 105 HD21 LEU 105 -0.272 1.657 -5.595 806 HD22 LEU 105 HD22 LEU 105 -0.998 1.212 -7.139 807 HD23 LEU 105 HD23 LEU 105 -0.259 -0.027 -6.126 808 H VAL 106 HN VAL 106 -2.046 -3.106 -7.631 809 HA VAL 106 HA VAL 106 0.675 -2.703 -8.049 810 HB VAL 106 HB VAL 106 -0.961 -5.010 -9.119 811 HG11 VAL 106 HG11 VAL 106 1.133 -6.263 -8.974 812 HG12 VAL 106 HG12 VAL 106 1.969 -4.809 -8.433 813 HG13 VAL 106 HG13 VAL 106 1.288 -4.881 -10.057 814 HG21 VAL 106 HG21 VAL 106 -0.362 -6.147 -7.014 815 HG22 VAL 106 HG22 VAL 106 -1.378 -4.729 -6.749 816 HG23 VAL 106 HG23 VAL 106 0.355 -4.646 -6.428 817 H ALA 107 HN ALA 107 -2.021 -2.747 -10.274 818 HA ALA 107 HA ALA 107 -0.404 -2.671 -12.646 819 HB1 ALA 107 HB1 ALA 107 -3.337 -2.061 -12.264 820 HB2 ALA 107 HB2 ALA 107 -2.652 -3.626 -12.703 821 HB3 ALA 107 HB3 ALA 107 -2.520 -2.263 -13.815 822 H GLU 108 HN GLU 108 -1.998 -0.359 -10.541 823 HA GLU 108 HA GLU 108 -1.685 1.921 -12.181 824 HB2 GLU 108 HB2 GLU 108 -1.861 1.731 -9.170 825 HB3 GLU 108 HB1 GLU 108 -2.007 3.215 -10.102 826 HG2 GLU 108 HG2 GLU 108 -3.802 1.019 -10.866 827 HG3 GLU 108 HG1 GLU 108 -4.109 1.778 -9.303 828 H SER 109 HN SER 109 0.050 1.043 -9.213 829 HA SER 109 HA SER 109 2.038 2.817 -9.136 830 HG SER 109 HG SER 109 1.192 -0.698 -8.482 831 HB2 SER 109 HB2 SER 109 3.316 1.058 -8.006 832 HB3 SER 109 HB1 SER 109 1.668 1.157 -7.435 Start of MODEL 9 1 HA SER 1 HA SER 1 2.883 -12.789 5.662 2 HG SER 1 HG SER 1 2.968 -12.443 8.607 3 H1 SER 1 HT1 SER 1 5.588 -13.813 5.030 4 H2 SER 1 HT2 SER 1 4.305 -13.636 3.941 5 H3 SER 1 HT3 SER 1 4.195 -14.758 5.201 6 HB2 SER 1 HB2 SER 1 3.828 -14.034 7.542 7 HB3 SER 1 HB1 SER 1 5.329 -13.116 7.420 8 H MET 2 HN MET 2 4.024 -11.689 3.524 9 HA MET 2 HA MET 2 4.480 -9.624 2.674 10 HB2 MET 2 HB2 MET 2 3.257 -8.774 4.703 11 HB3 MET 2 HB1 MET 2 4.811 -8.647 5.513 12 HG2 MET 2 HG2 MET 2 4.226 -7.248 2.922 13 HG3 MET 2 HG1 MET 2 3.868 -6.538 4.493 14 HE1 MET 2 HE1 MET 2 7.367 -6.099 6.098 15 HE2 MET 2 HE2 MET 2 6.185 -7.382 6.353 16 HE3 MET 2 HE3 MET 2 5.651 -5.708 6.208 17 H THR 3 HN THR 3 6.518 -10.103 5.577 18 HA THR 3 HA THR 3 8.827 -8.986 4.355 19 HB THR 3 HB THR 3 10.063 -9.829 6.286 20 HG1 THR 3 HG1 THR 3 9.208 -11.804 6.725 21 HG21 THR 3 HG21 THR 3 7.353 -8.756 7.076 22 HG22 THR 3 HG22 THR 3 8.729 -7.785 6.552 23 HG23 THR 3 HG23 THR 3 8.817 -8.699 8.057 24 H ASP 4 HN ASP 4 7.406 -12.142 4.405 25 HA ASP 4 HA ASP 4 9.805 -13.497 3.534 26 HB2 ASP 4 HB2 ASP 4 8.194 -14.683 4.944 27 HB3 ASP 4 HB1 ASP 4 6.945 -14.468 3.720 28 H LEU 5 HN LEU 5 6.954 -12.091 2.088 29 HA LEU 5 HA LEU 5 7.682 -13.165 -0.537 30 HG LEU 5 HG LEU 5 5.628 -14.516 -0.301 31 HB2 LEU 5 HB2 LEU 5 5.259 -11.605 0.363 32 HB3 LEU 5 HB1 LEU 5 5.531 -12.169 -1.278 33 HD11 LEU 5 HD11 LEU 5 5.878 -14.371 1.956 34 HD12 LEU 5 HD12 LEU 5 4.122 -14.494 1.864 35 HD13 LEU 5 HD13 LEU 5 4.883 -12.921 2.086 36 HD21 LEU 5 HD21 LEU 5 3.716 -13.538 -1.561 37 HD22 LEU 5 HD22 LEU 5 3.009 -13.060 -0.018 38 HD23 LEU 5 HD23 LEU 5 3.253 -14.766 -0.384 39 H LEU 6 HN LEU 6 6.655 -9.997 0.757 40 HA LEU 6 HA LEU 6 7.842 -8.588 -1.434 41 HG LEU 6 HG LEU 6 5.075 -8.570 0.663 42 HB2 LEU 6 HB2 LEU 6 7.052 -7.372 1.203 43 HB3 LEU 6 HB1 LEU 6 7.101 -6.604 -0.371 44 HD11 LEU 6 HD11 LEU 6 4.716 -6.243 1.258 45 HD12 LEU 6 HD12 LEU 6 3.506 -6.784 0.096 46 HD13 LEU 6 HD13 LEU 6 4.850 -5.775 -0.437 47 HD21 LEU 6 HD21 LEU 6 5.633 -9.259 -1.588 48 HD22 LEU 6 HD22 LEU 6 5.456 -7.602 -2.162 49 HD23 LEU 6 HD23 LEU 6 4.049 -8.485 -1.572 50 H SER 7 HN SER 7 9.805 -7.575 -1.538 51 HA SER 7 HA SER 7 11.910 -8.519 -0.008 52 HG SER 7 HG SER 7 12.605 -7.149 -3.193 53 HB2 SER 7 HB2 SER 7 12.013 -5.787 -1.249 54 HB3 SER 7 HB1 SER 7 13.288 -6.997 -1.136 55 H ALA 8 HN ALA 8 12.111 -8.283 2.150 56 HA ALA 8 HA ALA 8 10.911 -6.214 3.645 57 HB1 ALA 8 HB1 ALA 8 13.122 -8.138 4.350 58 HB2 ALA 8 HB2 ALA 8 11.403 -8.290 4.722 59 HB3 ALA 8 HB3 ALA 8 12.368 -7.038 5.504 60 H GLU 9 HN GLU 9 13.982 -6.529 2.072 61 HA GLU 9 HA GLU 9 15.296 -4.386 3.406 62 HB2 GLU 9 HB2 GLU 9 16.949 -4.576 1.589 63 HB3 GLU 9 HB1 GLU 9 16.561 -6.139 2.288 64 HG2 GLU 9 HG2 GLU 9 15.051 -6.585 0.404 65 HG3 GLU 9 HG1 GLU 9 15.504 -5.036 -0.305 66 H ASP 10 HN ASP 10 13.617 -4.682 0.287 67 HA ASP 10 HA ASP 10 14.036 -2.065 -0.628 68 HB2 ASP 10 HB2 ASP 10 11.687 -3.888 -1.105 69 HB3 ASP 10 HB1 ASP 10 12.102 -2.481 -2.083 70 H ILE 11 HN ILE 11 11.226 -3.456 1.033 71 HA ILE 11 HA ILE 11 9.682 -1.146 1.236 72 HB ILE 11 HB ILE 11 9.873 -3.483 3.124 73 HG12 ILE 11 HG12 ILE 11 7.574 -3.284 1.315 74 HG13 ILE 11 HG11 ILE 11 9.118 -3.541 0.504 75 HG21 ILE 11 HG21 ILE 11 7.654 -2.876 3.909 76 HG22 ILE 11 HG22 ILE 11 7.620 -1.497 2.807 77 HG23 ILE 11 HG23 ILE 11 8.767 -1.530 4.149 78 HD11 ILE 11 HD11 ILE 11 8.447 -5.691 0.855 79 HD12 ILE 11 HD12 ILE 11 7.617 -5.301 2.359 80 HD13 ILE 11 HD13 ILE 11 9.374 -5.412 2.329 81 H LYS 12 HN LYS 12 12.092 -2.451 3.505 82 HA LYS 12 HA LYS 12 11.763 -0.524 5.507 83 HB2 LYS 12 HB2 LYS 12 13.053 -2.689 5.659 84 HB3 LYS 12 HB1 LYS 12 14.357 -1.892 4.791 85 HG2 LYS 12 HG2 LYS 12 13.250 -0.798 7.354 86 HG3 LYS 12 HG1 LYS 12 14.532 -2.010 7.321 87 HD2 LYS 12 HD2 LYS 12 15.818 -0.434 5.824 88 HD3 LYS 12 HD1 LYS 12 14.596 0.785 6.196 89 HE2 LYS 12 HE2 LYS 12 15.112 0.629 8.557 90 HE3 LYS 12 HE1 LYS 12 16.276 -0.658 8.241 91 HZ1 LYS 12 HZ1 LYS 12 17.573 0.920 6.919 92 HZ2 LYS 12 HZ2 LYS 12 17.399 1.445 8.517 93 HZ3 LYS 12 HZ3 LYS 12 16.473 2.150 7.291 94 H LYS 13 HN LYS 13 14.114 -0.624 2.829 95 HA LYS 13 HA LYS 13 15.233 1.935 3.427 96 HB2 LYS 13 HB2 LYS 13 15.326 0.540 0.757 97 HB3 LYS 13 HB1 LYS 13 16.494 1.669 1.429 98 HG2 LYS 13 HG2 LYS 13 17.505 0.086 2.700 99 HG3 LYS 13 HG1 LYS 13 16.025 -0.849 2.916 100 HD2 LYS 13 HD2 LYS 13 16.175 -1.661 0.625 101 HD3 LYS 13 HD1 LYS 13 17.615 -0.669 0.357 102 HE2 LYS 13 HE2 LYS 13 17.391 -2.877 2.397 103 HE3 LYS 13 HE1 LYS 13 18.142 -3.043 0.810 104 HZ1 LYS 13 HZ1 LYS 13 19.790 -2.642 2.526 105 HZ2 LYS 13 HZ2 LYS 13 19.030 -1.195 2.960 106 HZ3 LYS 13 HZ3 LYS 13 19.749 -1.348 1.437 107 H ALA 14 HN ALA 14 13.085 0.775 0.862 108 HA ALA 14 HA ALA 14 12.700 3.150 -0.487 109 HB1 ALA 14 HB1 ALA 14 10.569 1.059 -0.139 110 HB2 ALA 14 HB2 ALA 14 11.983 0.835 -1.170 111 HB3 ALA 14 HB3 ALA 14 10.832 2.128 -1.518 112 H ILE 15 HN ILE 15 11.046 1.930 2.377 113 HA ILE 15 HA ILE 15 9.057 3.930 2.414 114 HB ILE 15 HB ILE 15 9.986 1.924 4.407 115 HG12 ILE 15 HG12 ILE 15 7.566 2.541 2.746 116 HG13 ILE 15 HG11 ILE 15 8.650 1.175 2.600 117 HG21 ILE 15 HG21 ILE 15 8.305 2.631 5.983 118 HG22 ILE 15 HG22 ILE 15 7.783 3.929 4.912 119 HG23 ILE 15 HG23 ILE 15 9.371 4.003 5.677 120 HD11 ILE 15 HD11 ILE 15 6.755 0.275 3.572 121 HD12 ILE 15 HD12 ILE 15 6.497 1.699 4.584 122 HD13 ILE 15 HD13 ILE 15 7.802 0.568 4.964 123 H GLY 16 HN GLY 16 11.989 3.498 4.445 124 HA2 GLY 16 HA2 GLY 16 11.693 6.143 5.561 125 HA3 GLY 16 HA1 GLY 16 12.974 5.002 5.919 126 H ALA 17 HN ALA 17 14.148 4.623 3.460 127 HA ALA 17 HA ALA 17 15.993 6.579 3.221 128 HB1 ALA 17 HB1 ALA 17 16.494 5.801 1.008 129 HB2 ALA 17 HB2 ALA 17 14.879 5.108 0.839 130 HB3 ALA 17 HB3 ALA 17 16.017 4.423 2.000 131 H PHE 18 HN PHE 18 12.999 6.494 1.283 132 HA PHE 18 HA PHE 18 13.246 9.388 0.965 133 HD1 PHE 18 HD1 PHE 18 10.416 7.294 -1.375 134 HD2 PHE 18 HD2 PHE 18 14.557 6.328 -1.505 135 HE1 PHE 18 HE1 PHE 18 9.866 5.060 -2.268 136 HE2 PHE 18 HE2 PHE 18 14.017 4.102 -2.396 137 HZ PHE 18 HZ PHE 18 11.669 3.468 -2.778 138 HB2 PHE 18 HB2 PHE 18 12.249 9.051 -1.339 139 HB3 PHE 18 HB1 PHE 18 13.904 8.512 -1.103 140 H THR 19 HN THR 19 11.653 10.268 2.074 141 HA THR 19 HA THR 19 9.110 8.885 2.352 142 HB THR 19 HB THR 19 10.093 9.915 4.355 143 HG1 THR 19 HG1 THR 19 8.181 11.033 4.978 144 HG21 THR 19 HG21 THR 19 9.623 12.556 2.968 145 HG22 THR 19 HG22 THR 19 11.205 11.812 3.201 146 HG23 THR 19 HG23 THR 19 10.255 12.315 4.597 147 H ALA 20 HN ALA 20 10.354 11.979 1.163 148 HA ALA 20 HA ALA 20 8.104 13.270 0.357 149 HB1 ALA 20 HB1 ALA 20 10.672 13.122 -1.210 150 HB2 ALA 20 HB2 ALA 20 10.382 14.173 0.176 151 HB3 ALA 20 HB3 ALA 20 9.454 14.395 -1.308 152 H ALA 21 HN ALA 21 9.928 10.900 -1.579 153 HA ALA 21 HA ALA 21 8.531 10.887 -3.908 154 HB1 ALA 21 HB1 ALA 21 9.363 8.746 -4.336 155 HB2 ALA 21 HB2 ALA 21 9.328 8.299 -2.631 156 HB3 ALA 21 HB3 ALA 21 10.528 9.452 -3.215 157 H ASP 22 HN ASP 22 7.813 8.571 -1.323 158 HA ASP 22 HA ASP 22 5.284 7.882 -2.415 159 HB2 ASP 22 HB2 ASP 22 4.952 6.608 -0.342 160 HB3 ASP 22 HB1 ASP 22 6.555 6.319 -1.007 161 H SER 23 HN SER 23 6.375 10.145 0.001 162 HA SER 23 HA SER 23 4.019 10.780 1.283 163 HG SER 23 HG SER 23 5.705 14.157 0.945 164 HB2 SER 23 HB2 SER 23 5.788 11.887 2.232 165 HB3 SER 23 HB1 SER 23 6.541 12.248 0.681 166 H PHE 24 HN PHE 24 5.224 11.912 -1.843 167 HA PHE 24 HA PHE 24 2.764 13.432 -2.237 168 HD1 PHE 24 HD1 PHE 24 6.605 12.210 -3.770 169 HD2 PHE 24 HD2 PHE 24 3.652 14.265 -6.040 170 HE1 PHE 24 HE1 PHE 24 7.581 11.315 -5.842 171 HE2 PHE 24 HE2 PHE 24 4.624 13.376 -8.117 172 HZ PHE 24 HZ PHE 24 6.591 11.898 -8.020 173 HB2 PHE 24 HB2 PHE 24 3.878 14.716 -3.762 174 HB3 PHE 24 HB1 PHE 24 5.268 14.155 -2.848 175 H ASP 25 HN ASP 25 4.288 10.480 -3.169 176 HA ASP 25 HA ASP 25 1.914 9.520 -4.412 177 HB2 ASP 25 HB2 ASP 25 2.738 10.866 -6.275 178 HB3 ASP 25 HB1 ASP 25 4.302 10.062 -6.187 179 H HIS 26 HN HIS 26 2.022 7.728 -3.135 180 HA HIS 26 HA HIS 26 4.400 6.233 -2.702 181 HD1 HIS 26 HD1 HIS 26 2.827 3.945 0.361 182 HD2 HIS 26 HD2 HIS 26 2.221 3.139 -3.667 183 HE1 HIS 26 HE1 HIS 26 2.666 1.443 0.196 184 HE2 HIS 26 HE2 HIS 26 2.435 0.976 -2.267 185 HB2 HIS 26 HB2 HIS 26 2.892 5.983 -0.989 186 HB3 HIS 26 HB1 HIS 26 1.503 5.867 -2.051 187 H LYS 27 HN LYS 27 2.175 6.331 -5.313 188 HA LYS 27 HA LYS 27 2.143 3.822 -6.321 189 HB2 LYS 27 HB2 LYS 27 2.461 6.442 -7.754 190 HB3 LYS 27 HB1 LYS 27 2.163 4.937 -8.588 191 HG2 LYS 27 HG2 LYS 27 0.355 6.528 -6.835 192 HG3 LYS 27 HG1 LYS 27 0.061 5.868 -8.445 193 HD2 LYS 27 HD2 LYS 27 0.317 4.292 -5.905 194 HD3 LYS 27 HD1 LYS 27 -1.197 4.648 -6.738 195 HE2 LYS 27 HE2 LYS 27 -0.336 3.417 -8.704 196 HE3 LYS 27 HE1 LYS 27 1.111 3.010 -7.786 197 HZ1 LYS 27 HZ1 LYS 27 -0.395 1.182 -7.678 198 HZ2 LYS 27 HZ2 LYS 27 -1.671 2.172 -7.182 199 HZ3 LYS 27 HZ3 LYS 27 -0.361 1.906 -6.150 200 H LYS 28 HN LYS 28 4.694 6.250 -6.825 201 HA LYS 28 HA LYS 28 6.433 4.610 -8.302 202 HB2 LYS 28 HB2 LYS 28 7.134 6.851 -6.389 203 HB3 LYS 28 HB1 LYS 28 8.196 6.188 -7.626 204 HG2 LYS 28 HG2 LYS 28 5.622 7.678 -8.091 205 HG3 LYS 28 HG1 LYS 28 7.255 8.288 -8.362 206 HD2 LYS 28 HD2 LYS 28 5.938 5.989 -9.806 207 HD3 LYS 28 HD1 LYS 28 6.251 7.596 -10.464 208 HE2 LYS 28 HE2 LYS 28 8.670 7.221 -10.141 209 HE3 LYS 28 HE1 LYS 28 8.317 5.589 -9.571 210 HZ1 LYS 28 HZ1 LYS 28 7.310 5.117 -11.736 211 HZ2 LYS 28 HZ2 LYS 28 8.938 5.548 -11.883 212 HZ3 LYS 28 HZ3 LYS 28 7.732 6.664 -12.277 213 H PHE 29 HN PHE 29 6.143 5.271 -4.844 214 HA PHE 29 HA PHE 29 8.221 3.662 -3.934 215 HD1 PHE 29 HD2 PHE 29 8.879 3.656 -1.135 216 HD2 PHE 29 HD1 PHE 29 4.770 2.641 -1.502 217 HE1 PHE 29 HE2 PHE 29 9.117 2.037 0.706 218 HE2 PHE 29 HE1 PHE 29 4.998 1.024 0.336 219 HZ PHE 29 HZ PHE 29 7.167 0.712 1.431 220 HB2 PHE 29 HB2 PHE 29 7.221 5.105 -2.346 221 HB3 PHE 29 HB1 PHE 29 5.602 4.482 -2.660 222 H PHE 30 HN PHE 30 4.930 2.870 -4.873 223 HA PHE 30 HA PHE 30 4.694 0.276 -3.939 224 HD1 PHE 30 HD1 PHE 30 3.328 -1.759 -6.171 225 HD2 PHE 30 HD2 PHE 30 1.393 1.423 -4.114 226 HE1 PHE 30 HE1 PHE 30 1.576 -3.312 -5.421 227 HE2 PHE 30 HE2 PHE 30 -0.359 -0.126 -3.357 228 HZ PHE 30 HZ PHE 30 -0.270 -2.497 -4.011 229 HB2 PHE 30 HB2 PHE 30 3.176 1.897 -5.526 230 HB3 PHE 30 HB1 PHE 30 3.731 0.709 -6.696 231 H GLN 31 HN GLN 31 6.518 1.566 -6.589 232 HA GLN 31 HA GLN 31 7.168 -1.012 -7.694 233 HB2 GLN 31 HB2 GLN 31 8.445 1.617 -8.394 234 HB3 GLN 31 HB1 GLN 31 8.286 0.187 -9.403 235 HG2 GLN 31 HG2 GLN 31 5.840 0.542 -9.438 236 HG3 GLN 31 HG1 GLN 31 6.069 2.018 -8.503 237 HE21 GLN 31 HE21 GLN 31 5.208 3.317 -10.099 238 HE22 GLN 31 HE22 GLN 31 6.038 3.654 -11.577 239 H MET 32 HN MET 32 8.795 1.492 -5.812 240 HA MET 32 HA MET 32 11.355 0.230 -5.798 241 HB2 MET 32 HB2 MET 32 10.598 2.063 -3.601 242 HB3 MET 32 HB1 MET 32 12.089 1.971 -4.526 243 HG2 MET 32 HG2 MET 32 9.491 3.218 -5.301 244 HG3 MET 32 HG1 MET 32 11.065 3.979 -5.107 245 HE1 MET 32 HE1 MET 32 13.119 3.562 -6.725 246 HE2 MET 32 HE2 MET 32 13.041 2.571 -8.182 247 HE3 MET 32 HE3 MET 32 12.942 1.812 -6.593 248 H VAL 33 HN VAL 33 8.581 0.250 -3.700 249 HA VAL 33 HA VAL 33 9.690 -1.006 -1.451 250 HB VAL 33 HB VAL 33 7.542 0.185 -1.407 251 HG11 VAL 33 HG11 VAL 33 6.261 -2.175 -2.724 252 HG12 VAL 33 HG12 VAL 33 6.900 -0.850 -3.690 253 HG13 VAL 33 HG13 VAL 33 5.634 -0.542 -2.501 254 HG21 VAL 33 HG21 VAL 33 7.900 -1.331 0.377 255 HG22 VAL 33 HG22 VAL 33 7.485 -2.700 -0.646 256 HG23 VAL 33 HG23 VAL 33 6.236 -1.556 -0.164 257 H GLY 34 HN GLY 34 8.675 -2.233 -4.495 258 HA2 GLY 34 HA2 GLY 34 9.179 -4.331 -5.372 259 HA3 GLY 34 HA1 GLY 34 9.618 -4.873 -3.760 260 H LEU 35 HN LEU 35 6.537 -3.338 -4.426 261 HA LEU 35 HA LEU 35 5.142 -5.642 -3.420 262 HG LEU 35 HG LEU 35 3.851 -4.847 -1.989 263 HB2 LEU 35 HB2 LEU 35 4.518 -2.867 -4.016 264 HB3 LEU 35 HB1 LEU 35 3.246 -3.951 -4.548 265 HD11 LEU 35 HD11 LEU 35 3.536 -2.711 -0.670 266 HD12 LEU 35 HD12 LEU 35 4.014 -1.852 -2.134 267 HD13 LEU 35 HD13 LEU 35 5.133 -2.978 -1.366 268 HD21 LEU 35 HD21 LEU 35 1.646 -4.337 -1.538 269 HD22 LEU 35 HD22 LEU 35 1.656 -4.428 -3.300 270 HD23 LEU 35 HD23 LEU 35 1.683 -2.858 -2.498 271 H LYS 36 HN LYS 36 5.887 -4.294 -6.560 272 HA LYS 36 HA LYS 36 4.030 -6.003 -7.947 273 HB2 LYS 36 HB2 LYS 36 6.319 -4.418 -9.082 274 HB3 LYS 36 HB1 LYS 36 4.918 -5.019 -9.949 275 HG2 LYS 36 HG2 LYS 36 3.503 -3.445 -8.852 276 HG3 LYS 36 HG1 LYS 36 4.806 -2.963 -7.759 277 HD2 LYS 36 HD2 LYS 36 4.721 -2.591 -10.739 278 HD3 LYS 36 HD1 LYS 36 4.576 -1.309 -9.528 279 HE2 LYS 36 HE2 LYS 36 6.793 -1.070 -9.837 280 HE3 LYS 36 HE1 LYS 36 6.933 -2.520 -8.845 281 HZ1 LYS 36 HZ1 LYS 36 8.201 -2.702 -10.899 282 HZ2 LYS 36 HZ2 LYS 36 6.792 -2.481 -11.809 283 HZ3 LYS 36 HZ3 LYS 36 6.965 -3.857 -10.843 284 H LYS 37 HN LYS 37 7.206 -6.259 -6.677 285 HA LYS 37 HA LYS 37 8.646 -7.824 -8.335 286 HB2 LYS 37 HB2 LYS 37 9.380 -7.135 -6.095 287 HB3 LYS 37 HB1 LYS 37 8.289 -8.304 -5.360 288 HG2 LYS 37 HG2 LYS 37 9.570 -10.052 -6.745 289 HG3 LYS 37 HG1 LYS 37 10.790 -8.793 -6.937 290 HD2 LYS 37 HD2 LYS 37 10.882 -8.587 -4.462 291 HD3 LYS 37 HD1 LYS 37 9.771 -9.953 -4.345 292 HE2 LYS 37 HE2 LYS 37 12.522 -9.975 -5.582 293 HE3 LYS 37 HE1 LYS 37 12.062 -10.698 -4.042 294 HZ1 LYS 37 HZ1 LYS 37 12.181 -12.340 -5.822 295 HZ2 LYS 37 HZ2 LYS 37 11.002 -11.503 -6.698 296 HZ3 LYS 37 HZ3 LYS 37 10.606 -12.214 -5.216 297 H LYS 38 HN LYS 38 5.730 -8.752 -6.668 298 HA LYS 38 HA LYS 38 5.826 -11.330 -8.071 299 HB2 LYS 38 HB2 LYS 38 4.860 -10.883 -5.247 300 HB3 LYS 38 HB1 LYS 38 4.783 -12.402 -6.123 301 HG2 LYS 38 HG2 LYS 38 7.319 -12.192 -6.329 302 HG3 LYS 38 HG1 LYS 38 7.175 -10.976 -5.054 303 HD2 LYS 38 HD2 LYS 38 6.122 -12.566 -3.589 304 HD3 LYS 38 HD1 LYS 38 6.081 -13.773 -4.880 305 HE2 LYS 38 HE2 LYS 38 8.596 -12.571 -3.732 306 HE3 LYS 38 HE1 LYS 38 7.914 -14.117 -3.226 307 HZ1 LYS 38 HZ1 LYS 38 8.825 -13.452 -5.974 308 HZ2 LYS 38 HZ2 LYS 38 8.192 -14.940 -5.477 309 HZ3 LYS 38 HZ3 LYS 38 9.674 -14.403 -4.862 310 H SER 39 HN SER 39 3.382 -12.325 -7.388 311 HA SER 39 HA SER 39 1.633 -10.671 -8.962 312 HG SER 39 HG SER 39 -0.854 -13.101 -8.263 313 HB2 SER 39 HB2 SER 39 1.598 -13.114 -9.204 314 HB3 SER 39 HB1 SER 39 1.095 -13.282 -7.523 315 H ALA 40 HN ALA 40 -0.675 -10.317 -8.194 316 HA ALA 40 HA ALA 40 -0.690 -8.599 -6.000 317 HB1 ALA 40 HB1 ALA 40 -3.271 -9.058 -6.196 318 HB2 ALA 40 HB2 ALA 40 -2.782 -9.894 -7.672 319 HB3 ALA 40 HB3 ALA 40 -2.403 -8.185 -7.459 320 H ASP 41 HN ASP 41 -0.956 -12.037 -6.134 321 HA ASP 41 HA ASP 41 -2.385 -12.448 -3.722 322 HB2 ASP 41 HB2 ASP 41 -0.396 -14.320 -5.014 323 HB3 ASP 41 HB1 ASP 41 -1.672 -14.750 -3.880 324 H ASP 42 HN ASP 42 1.005 -11.945 -4.469 325 HA ASP 42 HA ASP 42 1.965 -12.698 -1.889 326 HB2 ASP 42 HB2 ASP 42 3.274 -10.976 -4.006 327 HB3 ASP 42 HB1 ASP 42 4.084 -11.688 -2.612 328 H VAL 43 HN VAL 43 1.479 -9.540 -3.471 329 HA VAL 43 HA VAL 43 2.160 -7.889 -1.356 330 HB VAL 43 HB VAL 43 0.558 -6.233 -2.345 331 HG11 VAL 43 HG11 VAL 43 2.360 -7.660 -4.303 332 HG12 VAL 43 HG12 VAL 43 2.861 -6.411 -3.159 333 HG13 VAL 43 HG13 VAL 43 1.749 -6.014 -4.474 334 HG21 VAL 43 HG21 VAL 43 -0.070 -8.539 -4.182 335 HG22 VAL 43 HG22 VAL 43 -0.558 -6.867 -4.464 336 HG23 VAL 43 HG23 VAL 43 -1.182 -7.744 -3.066 337 H LYS 44 HN LYS 44 -0.794 -9.646 -1.986 338 HA LYS 44 HA LYS 44 -2.566 -8.525 -0.216 339 HB2 LYS 44 HB2 LYS 44 -2.173 -11.283 -1.272 340 HB3 LYS 44 HB1 LYS 44 -3.306 -11.060 0.050 341 HG2 LYS 44 HG2 LYS 44 -4.553 -9.443 -1.281 342 HG3 LYS 44 HG1 LYS 44 -3.409 -9.650 -2.607 343 HD2 LYS 44 HD2 LYS 44 -5.439 -10.970 -2.966 344 HD3 LYS 44 HD1 LYS 44 -4.023 -12.005 -2.783 345 HE2 LYS 44 HE2 LYS 44 -4.619 -12.484 -0.493 346 HE3 LYS 44 HE1 LYS 44 -5.967 -11.353 -0.573 347 HZ1 LYS 44 HZ1 LYS 44 -5.702 -13.850 -2.157 348 HZ2 LYS 44 HZ2 LYS 44 -6.989 -12.759 -2.260 349 HZ3 LYS 44 HZ3 LYS 44 -6.726 -13.620 -0.830 350 H LYS 45 HN LYS 45 0.257 -10.384 0.498 351 HA LYS 45 HA LYS 45 -0.411 -11.424 3.000 352 HB2 LYS 45 HB2 LYS 45 2.133 -10.776 1.598 353 HB3 LYS 45 HB1 LYS 45 2.203 -11.063 3.331 354 HG2 LYS 45 HG2 LYS 45 2.643 -13.068 1.914 355 HG3 LYS 45 HG1 LYS 45 1.336 -13.264 3.084 356 HD2 LYS 45 HD2 LYS 45 -0.291 -12.764 1.284 357 HD3 LYS 45 HD1 LYS 45 1.045 -12.693 0.134 358 HE2 LYS 45 HE2 LYS 45 -0.103 -14.871 0.104 359 HE3 LYS 45 HE1 LYS 45 1.590 -15.009 0.574 360 HZ1 LYS 45 HZ1 LYS 45 0.936 -15.191 2.868 361 HZ2 LYS 45 HZ2 LYS 45 0.107 -16.355 1.962 362 HZ3 LYS 45 HZ3 LYS 45 -0.691 -14.954 2.471 363 H VAL 46 HN VAL 46 1.140 -8.311 2.155 364 HA VAL 46 HA VAL 46 1.418 -7.434 4.791 365 HB VAL 46 HB VAL 46 2.453 -6.337 2.761 366 HG11 VAL 46 HG11 VAL 46 -0.314 -5.183 2.556 367 HG12 VAL 46 HG12 VAL 46 0.660 -5.955 1.311 368 HG13 VAL 46 HG13 VAL 46 1.105 -4.364 1.906 369 HG21 VAL 46 HG21 VAL 46 2.700 -4.279 3.869 370 HG22 VAL 46 HG22 VAL 46 2.396 -5.472 5.133 371 HG23 VAL 46 HG23 VAL 46 1.103 -4.396 4.608 372 H PHE 47 HN PHE 47 -1.336 -7.604 2.707 373 HA PHE 47 HA PHE 47 -3.087 -5.774 3.696 374 HD1 PHE 47 HD1 PHE 47 -4.854 -5.063 3.004 375 HD2 PHE 47 HD2 PHE 47 -6.086 -9.133 2.952 376 HE1 PHE 47 HE1 PHE 47 -7.213 -4.349 3.058 377 HE2 PHE 47 HE2 PHE 47 -8.442 -8.429 3.013 378 HZ PHE 47 HZ PHE 47 -9.007 -6.034 3.066 379 HB2 PHE 47 HB2 PHE 47 -3.530 -7.490 1.908 380 HB3 PHE 47 HB1 PHE 47 -3.848 -8.631 3.209 381 H HIS 48 HN HIS 48 -2.253 -8.906 5.078 382 HA HIS 48 HA HIS 48 -4.017 -8.647 7.319 383 HD1 HIS 48 HD1 HIS 48 -5.333 -11.320 6.844 384 HD2 HIS 48 HD2 HIS 48 -1.899 -11.493 4.508 385 HE1 HIS 48 HE1 HIS 48 -5.981 -12.615 4.789 386 HE2 HIS 48 HE2 HIS 48 -3.893 -12.696 3.383 387 HB2 HIS 48 HB2 HIS 48 -1.654 -10.512 7.069 388 HB3 HIS 48 HB1 HIS 48 -3.073 -10.710 8.092 389 H ILE 49 HN ILE 49 -0.636 -8.032 6.639 390 HA ILE 49 HA ILE 49 0.294 -7.597 9.240 391 HB ILE 49 HB ILE 49 1.138 -6.120 6.741 392 HG12 ILE 49 HG12 ILE 49 1.230 -8.549 6.404 393 HG13 ILE 49 HG11 ILE 49 2.850 -7.867 6.494 394 HG21 ILE 49 HG21 ILE 49 1.968 -5.102 8.786 395 HG22 ILE 49 HG22 ILE 49 3.285 -5.874 7.900 396 HG23 ILE 49 HG23 ILE 49 2.603 -6.658 9.323 397 HD11 ILE 49 HD11 ILE 49 3.072 -8.640 8.776 398 HD12 ILE 49 HD12 ILE 49 2.666 -9.975 7.699 399 HD13 ILE 49 HD13 ILE 49 1.426 -9.273 8.737 400 H LEU 50 HN LEU 50 -1.008 -5.335 6.835 401 HA LEU 50 HA LEU 50 -1.105 -3.168 8.705 402 HG LEU 50 HG LEU 50 -2.564 -4.575 5.660 403 HB2 LEU 50 HB2 LEU 50 -2.004 -1.917 6.856 404 HB3 LEU 50 HB1 LEU 50 -0.634 -2.865 6.319 405 HD11 LEU 50 HD11 LEU 50 -4.518 -3.451 4.824 406 HD12 LEU 50 HD12 LEU 50 -3.874 -1.883 5.306 407 HD13 LEU 50 HD13 LEU 50 -4.334 -3.063 6.534 408 HD21 LEU 50 HD21 LEU 50 -2.435 -3.677 3.396 409 HD22 LEU 50 HD22 LEU 50 -0.853 -3.682 4.172 410 HD23 LEU 50 HD23 LEU 50 -1.756 -2.175 4.023 411 H ASP 51 HN ASP 51 -3.441 -5.380 7.189 412 HA ASP 51 HA ASP 51 -5.493 -4.317 9.025 413 HB2 ASP 51 HB2 ASP 51 -5.577 -5.043 6.198 414 HB3 ASP 51 HB1 ASP 51 -6.851 -5.805 7.141 415 H LYS 52 HN LYS 52 -5.280 -5.635 10.783 416 HA LYS 52 HA LYS 52 -4.736 -8.420 10.614 417 HB2 LYS 52 HB2 LYS 52 -5.005 -8.446 12.994 418 HB3 LYS 52 HB1 LYS 52 -4.180 -6.955 12.553 419 HG2 LYS 52 HG2 LYS 52 -6.326 -5.759 12.705 420 HG3 LYS 52 HG1 LYS 52 -7.091 -7.251 13.253 421 HD2 LYS 52 HD2 LYS 52 -4.842 -5.794 14.642 422 HD3 LYS 52 HD1 LYS 52 -6.541 -5.797 15.129 423 HE2 LYS 52 HE2 LYS 52 -6.440 -8.205 15.501 424 HE3 LYS 52 HE1 LYS 52 -4.756 -8.226 14.980 425 HZ1 LYS 52 HZ1 LYS 52 -4.963 -8.222 17.395 426 HZ2 LYS 52 HZ2 LYS 52 -5.799 -6.753 17.339 427 HZ3 LYS 52 HZ3 LYS 52 -4.181 -6.825 16.850 428 H ASP 53 HN ASP 53 -7.645 -6.534 11.351 429 HA ASP 53 HA ASP 53 -9.393 -8.761 11.524 430 HB2 ASP 53 HB2 ASP 53 -9.939 -5.847 10.974 431 HB3 ASP 53 HB1 ASP 53 -11.182 -7.052 11.297 432 H LYS 54 HN LYS 54 -7.943 -7.069 8.940 433 HA LYS 54 HA LYS 54 -7.929 -7.515 6.714 434 HB2 LYS 54 HB2 LYS 54 -8.584 -9.818 7.159 435 HB3 LYS 54 HB1 LYS 54 -10.276 -9.343 7.171 436 HG2 LYS 54 HG2 LYS 54 -10.003 -8.538 4.842 437 HG3 LYS 54 HG1 LYS 54 -8.365 -9.198 4.858 438 HD2 LYS 54 HD2 LYS 54 -9.241 -11.430 5.248 439 HD3 LYS 54 HD1 LYS 54 -10.885 -10.794 5.327 440 HE2 LYS 54 HE2 LYS 54 -10.689 -10.037 3.001 441 HE3 LYS 54 HE1 LYS 54 -9.059 -10.705 2.928 442 HZ1 LYS 54 HZ1 LYS 54 -11.542 -12.262 3.403 443 HZ2 LYS 54 HZ2 LYS 54 -9.978 -12.902 3.323 444 HZ3 LYS 54 HZ3 LYS 54 -10.678 -12.205 1.949 445 H SER 55 HN SER 55 -10.921 -6.910 8.375 446 HA SER 55 HA SER 55 -12.586 -5.508 8.140 447 HG SER 55 HG SER 55 -13.112 -3.255 7.461 448 HB2 SER 55 HB2 SER 55 -10.869 -3.803 7.968 449 HB3 SER 55 HB1 SER 55 -10.699 -4.102 6.239 450 H GLY 56 HN GLY 56 -11.204 -6.023 4.875 451 HA2 GLY 56 HA2 GLY 56 -12.353 -7.257 3.174 452 HA3 GLY 56 HA1 GLY 56 -13.878 -6.765 3.908 453 H PHE 57 HN PHE 57 -12.501 -4.038 4.258 454 HA PHE 57 HA PHE 57 -12.041 -2.973 1.667 455 HD1 PHE 57 HD1 PHE 57 -13.874 -2.351 -0.541 456 HD2 PHE 57 HD2 PHE 57 -15.773 -4.341 2.706 457 HE1 PHE 57 HE1 PHE 57 -15.031 -3.831 -2.130 458 HE2 PHE 57 HE2 PHE 57 -16.932 -5.826 1.124 459 HZ PHE 57 HZ PHE 57 -16.563 -5.573 -1.297 460 HB2 PHE 57 HB2 PHE 57 -14.652 -2.259 3.041 461 HB3 PHE 57 HB1 PHE 57 -13.952 -1.361 1.691 462 H ILE 58 HN ILE 58 -10.649 -1.328 2.003 463 HA ILE 58 HA ILE 58 -10.575 -0.188 4.717 464 HB ILE 58 HB ILE 58 -8.399 0.146 2.668 465 HG12 ILE 58 HG12 ILE 58 -8.655 -2.107 4.664 466 HG13 ILE 58 HG11 ILE 58 -8.821 -2.269 2.918 467 HG21 ILE 58 HG21 ILE 58 -7.153 0.073 5.003 468 HG22 ILE 58 HG22 ILE 58 -8.740 0.575 5.582 469 HG23 ILE 58 HG23 ILE 58 -7.888 1.553 4.388 470 HD11 ILE 58 HD11 ILE 58 -6.575 -1.987 2.545 471 HD12 ILE 58 HD12 ILE 58 -6.577 -2.847 4.083 472 HD13 ILE 58 HD13 ILE 58 -6.327 -1.105 4.050 473 H GLU 59 HN GLU 59 -10.609 1.929 5.077 474 HA GLU 59 HA GLU 59 -11.716 3.515 2.885 475 HB2 GLU 59 HB2 GLU 59 -11.978 3.484 5.836 476 HB3 GLU 59 HB1 GLU 59 -12.220 5.018 4.994 477 HG2 GLU 59 HG2 GLU 59 -14.011 4.074 3.700 478 HG3 GLU 59 HG1 GLU 59 -13.703 2.471 4.369 479 H GLU 60 HN GLU 60 -10.466 4.833 1.932 480 HA GLU 60 HA GLU 60 -7.891 5.509 2.265 481 HB2 GLU 60 HB2 GLU 60 -8.497 7.682 1.108 482 HB3 GLU 60 HB1 GLU 60 -9.056 6.210 0.316 483 HG2 GLU 60 HG2 GLU 60 -11.075 7.136 0.309 484 HG3 GLU 60 HG1 GLU 60 -11.084 6.821 2.048 485 H ASP 61 HN ASP 61 -10.597 6.868 4.017 486 HA ASP 61 HA ASP 61 -9.235 9.119 5.062 487 HB2 ASP 61 HB2 ASP 61 -11.675 7.642 6.085 488 HB3 ASP 61 HB1 ASP 61 -11.124 9.205 6.689 489 H GLU 62 HN GLU 62 -10.075 5.973 6.502 490 HA GLU 62 HA GLU 62 -8.367 6.467 8.806 491 HB2 GLU 62 HB2 GLU 62 -9.965 4.012 8.043 492 HB3 GLU 62 HB1 GLU 62 -9.180 4.290 9.591 493 HG2 GLU 62 HG2 GLU 62 -10.654 6.144 10.051 494 HG3 GLU 62 HG1 GLU 62 -11.393 5.986 8.458 495 H LEU 63 HN LEU 63 -8.099 5.078 5.700 496 HA LEU 63 HA LEU 63 -6.303 3.021 6.071 497 HG LEU 63 HG LEU 63 -4.757 3.352 2.929 498 HB2 LEU 63 HB2 LEU 63 -7.454 3.890 3.905 499 HB3 LEU 63 HB1 LEU 63 -6.065 4.954 3.791 500 HD11 LEU 63 HD11 LEU 63 -5.844 1.471 5.007 501 HD12 LEU 63 HD12 LEU 63 -4.274 2.268 4.990 502 HD13 LEU 63 HD13 LEU 63 -4.640 1.016 3.804 503 HD21 LEU 63 HD21 LEU 63 -5.858 2.013 1.493 504 HD22 LEU 63 HD22 LEU 63 -7.265 2.899 2.081 505 HD23 LEU 63 HD23 LEU 63 -6.874 1.318 2.752 506 H GLY 64 HN GLY 64 -5.816 6.465 5.966 507 HA2 GLY 64 HA2 GLY 64 -3.007 6.507 5.875 508 HA3 GLY 64 HA1 GLY 64 -4.022 7.792 6.515 509 H SER 65 HN SER 65 -5.185 5.722 8.413 510 HA SER 65 HA SER 65 -3.293 6.209 10.541 511 HG SER 65 HG SER 65 -6.237 6.904 11.835 512 HB2 SER 65 HB2 SER 65 -5.944 4.729 10.525 513 HB3 SER 65 HB1 SER 65 -5.036 5.174 11.964 514 H ILE 66 HN ILE 66 -4.981 3.348 9.328 515 HA ILE 66 HA ILE 66 -3.267 1.460 10.516 516 HB ILE 66 HB ILE 66 -5.603 1.081 9.661 517 HG12 ILE 66 HG12 ILE 66 -5.182 -1.237 8.955 518 HG13 ILE 66 HG11 ILE 66 -3.476 -0.858 8.730 519 HG21 ILE 66 HG21 ILE 66 -4.239 0.840 6.989 520 HG22 ILE 66 HG22 ILE 66 -5.295 2.163 7.488 521 HG23 ILE 66 HG23 ILE 66 -5.941 0.527 7.337 522 HD11 ILE 66 HD11 ILE 66 -3.044 -0.854 10.954 523 HD12 ILE 66 HD12 ILE 66 -4.420 -1.959 10.955 524 HD13 ILE 66 HD13 ILE 66 -4.649 -0.263 11.379 525 H LEU 67 HN LEU 67 -2.928 3.439 7.734 526 HA LEU 67 HA LEU 67 -1.362 2.090 5.948 527 HG LEU 67 HG LEU 67 -1.240 5.350 4.345 528 HB2 LEU 67 HB2 LEU 67 -1.984 4.763 6.503 529 HB3 LEU 67 HB1 LEU 67 -0.242 4.708 6.553 530 HD11 LEU 67 HD11 LEU 67 1.019 4.709 4.364 531 HD12 LEU 67 HD12 LEU 67 0.274 3.791 3.054 532 HD13 LEU 67 HD13 LEU 67 0.616 3.009 4.598 533 HD21 LEU 67 HD21 LEU 67 -3.099 3.699 4.418 534 HD22 LEU 67 HD22 LEU 67 -1.918 2.424 4.131 535 HD23 LEU 67 HD23 LEU 67 -2.174 3.677 2.920 536 H LYS 68 HN LYS 68 -0.473 3.310 9.104 537 HA LYS 68 HA LYS 68 2.265 3.300 8.965 538 HB2 LYS 68 HB2 LYS 68 0.558 2.396 11.275 539 HB3 LYS 68 HB1 LYS 68 2.244 2.893 11.366 540 HG2 LYS 68 HG2 LYS 68 1.745 5.122 10.961 541 HG3 LYS 68 HG1 LYS 68 0.172 4.739 10.249 542 HD2 LYS 68 HD2 LYS 68 -0.687 4.102 12.420 543 HD3 LYS 68 HD1 LYS 68 0.894 4.369 13.157 544 HE2 LYS 68 HE2 LYS 68 0.769 6.738 12.591 545 HE3 LYS 68 HE1 LYS 68 -0.791 6.479 11.811 546 HZ1 LYS 68 HZ1 LYS 68 -1.033 7.369 14.053 547 HZ2 LYS 68 HZ2 LYS 68 -0.218 6.032 14.691 548 HZ3 LYS 68 HZ3 LYS 68 -1.718 5.826 13.936 549 H GLY 69 HN GLY 69 0.137 0.558 8.871 550 HA2 GLY 69 HA2 GLY 69 1.573 -1.538 9.843 551 HA3 GLY 69 HA1 GLY 69 0.661 -1.640 8.343 552 H PHE 70 HN PHE 70 2.007 -0.184 6.580 553 HA PHE 70 HA PHE 70 4.570 -1.575 6.408 554 HD1 PHE 70 HD2 PHE 70 1.011 -1.548 4.995 555 HD2 PHE 70 HD1 PHE 70 3.547 1.272 3.059 556 HE1 PHE 70 HE2 PHE 70 -0.967 -0.357 4.147 557 HE2 PHE 70 HE1 PHE 70 1.569 2.467 2.196 558 HZ PHE 70 HZ PHE 70 -0.689 1.649 2.745 559 HB2 PHE 70 HB2 PHE 70 4.461 -0.657 3.981 560 HB3 PHE 70 HB1 PHE 70 3.451 -2.020 4.430 561 H SER 71 HN SER 71 3.131 1.613 6.112 562 HA SER 71 HA SER 71 5.548 3.020 5.629 563 HG SER 71 HG SER 71 3.623 3.955 3.872 564 HB2 SER 71 HB2 SER 71 2.947 4.203 6.581 565 HB3 SER 71 HB1 SER 71 4.232 4.990 5.663 566 H SER 72 HN SER 72 4.643 1.567 8.432 567 HA SER 72 HA SER 72 4.780 3.399 10.458 568 HG SER 72 HG SER 72 6.132 2.389 12.414 569 HB2 SER 72 HB2 SER 72 4.455 1.204 11.175 570 HB3 SER 72 HB1 SER 72 5.827 0.592 10.252 571 H ASP 73 HN ASP 73 7.364 2.527 8.295 572 HA ASP 73 HA ASP 73 9.363 3.795 9.994 573 HB2 ASP 73 HB2 ASP 73 9.771 2.585 7.269 574 HB3 ASP 73 HB1 ASP 73 10.991 2.980 8.477 575 H ALA 74 HN ALA 74 7.230 4.736 7.526 576 HA ALA 74 HA ALA 74 8.951 7.031 6.855 577 HB1 ALA 74 HB1 ALA 74 6.753 5.761 5.233 578 HB2 ALA 74 HB2 ALA 74 8.480 5.741 4.896 579 HB3 ALA 74 HB3 ALA 74 7.583 7.253 4.796 580 H ARG 75 HN ARG 75 5.508 6.923 6.138 581 HA ARG 75 HA ARG 75 4.801 8.565 8.397 582 HE ARG 75 HE ARG 75 3.100 10.703 3.170 583 HB2 ARG 75 HB2 ARG 75 4.232 10.548 7.225 584 HB3 ARG 75 HB1 ARG 75 5.867 10.135 6.731 585 HG2 ARG 75 HG2 ARG 75 5.077 9.275 4.634 586 HG3 ARG 75 HG1 ARG 75 3.398 9.492 5.134 587 HD2 ARG 75 HD2 ARG 75 4.194 11.984 5.493 588 HD3 ARG 75 HD1 ARG 75 5.418 11.514 4.306 589 HH11 ARG 75 HH11 ARG 75 4.202 13.724 4.506 590 HH12 ARG 75 HH12 ARG 75 3.203 14.692 3.475 591 HH21 ARG 75 HH21 ARG 75 1.775 11.971 1.812 592 HH22 ARG 75 HH22 ARG 75 1.825 13.696 1.944 593 H ASP 76 HN ASP 76 2.462 9.706 7.090 594 HA ASP 76 HA ASP 76 0.942 7.231 6.588 595 HB2 ASP 76 HB2 ASP 76 0.080 9.659 8.166 596 HB3 ASP 76 HB1 ASP 76 -0.946 8.282 7.789 597 H LEU 77 HN LEU 77 -0.671 7.257 5.103 598 HA LEU 77 HA LEU 77 -0.577 8.771 2.810 599 HG LEU 77 HG LEU 77 -3.994 8.903 3.511 600 HB2 LEU 77 HB2 LEU 77 -1.932 7.032 2.412 601 HB3 LEU 77 HB1 LEU 77 -2.394 6.891 4.092 602 HD11 LEU 77 HD11 LEU 77 -4.726 8.112 1.033 603 HD12 LEU 77 HD12 LEU 77 -2.972 8.032 0.916 604 HD13 LEU 77 HD13 LEU 77 -3.760 9.539 1.388 605 HD21 LEU 77 HD21 LEU 77 -5.089 7.040 4.202 606 HD22 LEU 77 HD22 LEU 77 -4.279 5.987 3.042 607 HD23 LEU 77 HD23 LEU 77 -5.580 7.058 2.512 608 H SER 78 HN SER 78 -0.944 10.893 2.423 609 HA SER 78 HA SER 78 -2.560 12.395 4.360 610 HG SER 78 HG SER 78 0.756 13.694 3.942 611 HB2 SER 78 HB2 SER 78 -0.614 13.384 2.261 612 HB3 SER 78 HB1 SER 78 -1.492 14.405 3.400 613 H ALA 79 HN ALA 79 -3.508 14.491 3.100 614 HA ALA 79 HA ALA 79 -5.790 13.709 1.795 615 HB1 ALA 79 HB1 ALA 79 -6.038 15.993 1.065 616 HB2 ALA 79 HB2 ALA 79 -4.309 16.282 1.273 617 HB3 ALA 79 HB3 ALA 79 -5.332 15.982 2.681 618 H LYS 80 HN LYS 80 -2.789 14.852 0.295 619 HA LYS 80 HA LYS 80 -3.469 14.601 -2.368 620 HB2 LYS 80 HB2 LYS 80 -1.377 15.615 -1.623 621 HB3 LYS 80 HB1 LYS 80 -0.802 14.049 -1.055 622 HG2 LYS 80 HG2 LYS 80 -0.727 13.209 -3.312 623 HG3 LYS 80 HG1 LYS 80 -1.438 14.702 -3.926 624 HD2 LYS 80 HD2 LYS 80 1.193 14.547 -2.463 625 HD3 LYS 80 HD1 LYS 80 1.033 14.556 -4.221 626 HE2 LYS 80 HE2 LYS 80 -0.066 16.737 -4.107 627 HE3 LYS 80 HE1 LYS 80 0.082 16.724 -2.349 628 HZ1 LYS 80 HZ1 LYS 80 1.822 18.045 -3.389 629 HZ2 LYS 80 HZ2 LYS 80 2.351 16.698 -4.266 630 HZ3 LYS 80 HZ3 LYS 80 2.481 16.712 -2.579 631 H GLU 81 HN GLU 81 -1.940 12.161 -0.293 632 HA GLU 81 HA GLU 81 -1.934 10.090 -2.213 633 HB2 GLU 81 HB2 GLU 81 -1.943 9.831 0.795 634 HB3 GLU 81 HB1 GLU 81 -1.370 8.627 -0.328 635 HG2 GLU 81 HG2 GLU 81 0.426 10.124 -1.037 636 HG3 GLU 81 HG1 GLU 81 -0.146 11.340 0.106 637 H THR 82 HN THR 82 -4.409 11.286 -0.053 638 HA THR 82 HA THR 82 -6.030 8.968 -0.003 639 HB THR 82 HB THR 82 -7.088 11.797 -0.048 640 HG1 THR 82 HG1 THR 82 -5.989 10.362 2.161 641 HG21 THR 82 HG21 THR 82 -8.601 9.718 -0.054 642 HG22 THR 82 HG22 THR 82 -8.916 10.965 1.152 643 HG23 THR 82 HG23 THR 82 -8.061 9.493 1.610 644 H LYS 83 HN LYS 83 -6.059 11.840 -2.044 645 HA LYS 83 HA LYS 83 -7.885 10.726 -3.943 646 HB2 LYS 83 HB2 LYS 83 -6.135 13.190 -4.029 647 HB3 LYS 83 HB1 LYS 83 -7.304 12.766 -5.271 648 HG2 LYS 83 HG2 LYS 83 -8.243 12.969 -2.460 649 HG3 LYS 83 HG1 LYS 83 -7.890 14.454 -3.344 650 HD2 LYS 83 HD2 LYS 83 -10.063 14.225 -3.963 651 HD3 LYS 83 HD1 LYS 83 -9.344 13.192 -5.199 652 HE2 LYS 83 HE2 LYS 83 -11.212 12.039 -4.239 653 HE3 LYS 83 HE1 LYS 83 -9.733 11.241 -3.710 654 HZ1 LYS 83 HZ1 LYS 83 -9.895 12.400 -1.601 655 HZ2 LYS 83 HZ2 LYS 83 -11.304 11.511 -1.892 656 HZ3 LYS 83 HZ3 LYS 83 -11.303 13.189 -2.111 657 H THR 84 HN THR 84 -4.414 10.859 -3.556 658 HA THR 84 HA THR 84 -3.928 10.147 -6.311 659 HB THR 84 HB THR 84 -1.950 10.518 -4.084 660 HG1 THR 84 HG1 THR 84 -3.075 12.445 -4.617 661 HG21 THR 84 HG21 THR 84 -1.584 10.315 -7.074 662 HG22 THR 84 HG22 THR 84 -1.047 9.142 -5.871 663 HG23 THR 84 HG23 THR 84 -0.318 10.748 -5.923 664 H LEU 85 HN LEU 85 -3.022 8.705 -3.184 665 HA LEU 85 HA LEU 85 -2.247 6.276 -4.511 666 HG LEU 85 HG LEU 85 -0.401 5.232 -1.526 667 HB2 LEU 85 HB2 LEU 85 -1.177 7.343 -2.440 668 HB3 LEU 85 HB1 LEU 85 -2.467 6.558 -1.551 669 HD11 LEU 85 HD11 LEU 85 -2.110 3.578 -3.260 670 HD12 LEU 85 HD12 LEU 85 -2.906 4.308 -1.871 671 HD13 LEU 85 HD13 LEU 85 -1.503 3.269 -1.634 672 HD21 LEU 85 HD21 LEU 85 0.450 5.982 -3.720 673 HD22 LEU 85 HD22 LEU 85 -0.791 5.003 -4.502 674 HD23 LEU 85 HD23 LEU 85 0.465 4.229 -3.542 675 H MET 86 HN MET 86 -4.785 7.015 -2.058 676 HA MET 86 HA MET 86 -5.785 4.356 -2.093 677 HB2 MET 86 HB2 MET 86 -7.575 6.705 -1.510 678 HB3 MET 86 HB1 MET 86 -7.647 5.080 -0.865 679 HG2 MET 86 HG2 MET 86 -5.306 6.836 -0.279 680 HG3 MET 86 HG1 MET 86 -6.791 6.953 0.652 681 HE1 MET 86 HE1 MET 86 -3.569 5.215 -0.047 682 HE2 MET 86 HE2 MET 86 -4.485 3.879 -0.744 683 HE3 MET 86 HE3 MET 86 -3.644 3.666 0.790 684 H ALA 87 HN ALA 87 -6.938 7.268 -3.739 685 HA ALA 87 HA ALA 87 -9.011 6.100 -5.180 686 HB1 ALA 87 HB1 ALA 87 -7.371 8.266 -6.400 687 HB2 ALA 87 HB2 ALA 87 -8.251 8.584 -4.896 688 HB3 ALA 87 HB3 ALA 87 -9.124 8.072 -6.349 689 H ALA 88 HN ALA 88 -5.572 5.870 -5.604 690 HA ALA 88 HA ALA 88 -5.639 5.066 -8.360 691 HB1 ALA 88 HB1 ALA 88 -3.644 6.108 -7.559 692 HB2 ALA 88 HB2 ALA 88 -3.256 4.429 -7.938 693 HB3 ALA 88 HB3 ALA 88 -3.482 4.926 -6.262 694 H GLY 89 HN GLY 89 -4.616 3.259 -5.438 695 HA2 GLY 89 HA2 GLY 89 -4.577 0.718 -6.473 696 HA3 GLY 89 HA1 GLY 89 -5.033 1.076 -4.813 697 H ASP 90 HN ASP 90 -7.343 2.575 -5.427 698 HA ASP 90 HA ASP 90 -9.173 0.413 -6.123 699 HB2 ASP 90 HB2 ASP 90 -10.902 1.738 -5.050 700 HB3 ASP 90 HB1 ASP 90 -9.506 1.598 -3.986 701 H LYS 91 HN LYS 91 -7.722 1.531 -8.189 702 HA LYS 91 HA LYS 91 -8.300 3.544 -9.739 703 HB2 LYS 91 HB2 LYS 91 -7.000 1.454 -10.229 704 HB3 LYS 91 HB1 LYS 91 -8.514 0.726 -10.739 705 HG2 LYS 91 HG2 LYS 91 -7.601 3.281 -11.961 706 HG3 LYS 91 HG1 LYS 91 -6.922 1.734 -12.450 707 HD2 LYS 91 HD2 LYS 91 -9.810 1.667 -12.306 708 HD3 LYS 91 HD1 LYS 91 -9.228 2.878 -13.445 709 HE2 LYS 91 HE2 LYS 91 -9.547 0.798 -14.608 710 HE3 LYS 91 HE1 LYS 91 -7.819 1.131 -14.498 711 HZ1 LYS 91 HZ1 LYS 91 -9.337 -0.722 -12.740 712 HZ2 LYS 91 HZ2 LYS 91 -7.678 -0.407 -12.642 713 HZ3 LYS 91 HZ3 LYS 91 -8.311 -1.180 -14.005 714 H ASP 92 HN ASP 92 -10.583 0.892 -9.290 715 HA ASP 92 HA ASP 92 -12.438 1.532 -11.233 716 HB2 ASP 92 HB2 ASP 92 -13.043 0.498 -8.453 717 HB3 ASP 92 HB1 ASP 92 -14.118 0.398 -9.846 718 H GLY 93 HN GLY 93 -11.678 3.289 -8.372 719 HA2 GLY 93 HA2 GLY 93 -12.251 5.507 -7.962 720 HA3 GLY 93 HA1 GLY 93 -13.532 5.378 -9.158 721 H ASP 94 HN ASP 94 -12.829 3.565 -6.170 722 HA ASP 94 HA ASP 94 -15.561 4.207 -5.282 723 HB2 ASP 94 HB2 ASP 94 -13.790 1.861 -4.565 724 HB3 ASP 94 HB1 ASP 94 -15.364 2.182 -3.841 725 H GLY 95 HN GLY 95 -12.338 4.941 -4.712 726 HA2 GLY 95 HA2 GLY 95 -11.321 6.175 -3.090 727 HA3 GLY 95 HA1 GLY 95 -12.906 6.491 -2.408 728 H LYS 96 HN LYS 96 -11.979 3.222 -2.828 729 HA LYS 96 HA LYS 96 -10.899 2.971 -0.141 730 HB2 LYS 96 HB2 LYS 96 -13.149 1.094 -0.812 731 HB3 LYS 96 HB1 LYS 96 -12.572 1.613 0.758 732 HG2 LYS 96 HG2 LYS 96 -13.935 3.571 -1.028 733 HG3 LYS 96 HG1 LYS 96 -14.879 2.408 -0.102 734 HD2 LYS 96 HD2 LYS 96 -13.984 3.221 1.959 735 HD3 LYS 96 HD1 LYS 96 -12.830 4.253 1.114 736 HE2 LYS 96 HE2 LYS 96 -14.635 5.629 1.871 737 HE3 LYS 96 HE1 LYS 96 -14.760 5.478 0.117 738 HZ1 LYS 96 HZ1 LYS 96 -16.911 5.225 1.213 739 HZ2 LYS 96 HZ2 LYS 96 -16.329 3.898 2.085 740 HZ3 LYS 96 HZ3 LYS 96 -16.466 3.808 0.401 741 H ILE 97 HN ILE 97 -9.580 1.168 0.075 742 HA ILE 97 HA ILE 97 -9.315 -0.481 -2.352 743 HB ILE 97 HB ILE 97 -7.128 0.279 -0.416 744 HG12 ILE 97 HG12 ILE 97 -7.741 1.199 -3.231 745 HG13 ILE 97 HG11 ILE 97 -7.734 2.184 -1.770 746 HG21 ILE 97 HG21 ILE 97 -6.650 -1.881 -1.270 747 HG22 ILE 97 HG22 ILE 97 -5.666 -0.747 -2.196 748 HG23 ILE 97 HG23 ILE 97 -7.135 -1.419 -2.900 749 HD11 ILE 97 HD11 ILE 97 -5.744 2.490 -3.207 750 HD12 ILE 97 HD12 ILE 97 -5.310 0.810 -2.893 751 HD13 ILE 97 HD13 ILE 97 -5.363 1.970 -1.566 752 H GLY 98 HN GLY 98 -10.060 -2.443 -2.036 753 HA2 GLY 98 HA2 GLY 98 -9.657 -3.698 0.603 754 HA3 GLY 98 HA1 GLY 98 -10.982 -4.087 -0.487 755 H VAL 99 HN VAL 99 -10.051 -6.289 0.044 756 HA VAL 99 HA VAL 99 -7.582 -7.156 -0.903 757 HB VAL 99 HB VAL 99 -9.055 -8.535 0.514 758 HG11 VAL 99 HG11 VAL 99 -10.903 -9.782 -0.487 759 HG12 VAL 99 HG12 VAL 99 -10.655 -8.931 -2.011 760 HG13 VAL 99 HG13 VAL 99 -11.179 -8.043 -0.582 761 HG21 VAL 99 HG21 VAL 99 -8.566 -10.674 -0.536 762 HG22 VAL 99 HG22 VAL 99 -7.212 -9.561 -0.734 763 HG23 VAL 99 HG23 VAL 99 -8.303 -9.871 -2.084 764 H GLU 100 HN GLU 100 -10.487 -6.388 -2.629 765 HA GLU 100 HA GLU 100 -9.839 -7.806 -5.022 766 HB2 GLU 100 HB2 GLU 100 -11.568 -5.500 -5.408 767 HB3 GLU 100 HB1 GLU 100 -11.865 -7.187 -5.779 768 HG2 GLU 100 HG2 GLU 100 -12.192 -5.839 -3.131 769 HG3 GLU 100 HG1 GLU 100 -13.491 -6.325 -4.214 770 H GLU 101 HN GLU 101 -9.875 -4.381 -4.141 771 HA GLU 101 HA GLU 101 -8.713 -3.408 -6.491 772 HB2 GLU 101 HB2 GLU 101 -8.893 -2.321 -3.694 773 HB3 GLU 101 HB1 GLU 101 -8.110 -1.421 -4.984 774 HG2 GLU 101 HG2 GLU 101 -10.485 -0.817 -4.579 775 HG3 GLU 101 HG1 GLU 101 -10.113 -1.288 -6.239 776 H PHE 102 HN PHE 102 -7.247 -4.873 -3.692 777 HA PHE 102 HA PHE 102 -4.675 -3.866 -3.792 778 HD1 PHE 102 HD1 PHE 102 -2.416 -5.340 -2.272 779 HD2 PHE 102 HD2 PHE 102 -6.388 -4.902 -0.805 780 HE1 PHE 102 HE1 PHE 102 -1.538 -4.343 -0.201 781 HE2 PHE 102 HE2 PHE 102 -5.516 -3.904 1.268 782 HZ PHE 102 HZ PHE 102 -3.089 -3.624 1.571 783 HB2 PHE 102 HB2 PHE 102 -5.947 -6.248 -2.721 784 HB3 PHE 102 HB1 PHE 102 -4.300 -6.559 -3.260 785 H SER 103 HN SER 103 -6.256 -5.957 -6.026 786 HA SER 103 HA SER 103 -3.842 -6.884 -7.281 787 HG SER 103 HG SER 103 -7.216 -6.882 -9.296 788 HB2 SER 103 HB2 SER 103 -5.351 -7.777 -9.016 789 HB3 SER 103 HB1 SER 103 -5.910 -8.215 -7.403 790 H THR 104 HN THR 104 -6.271 -4.405 -7.874 791 HA THR 104 HA THR 104 -5.301 -3.495 -10.344 792 HB THR 104 HB THR 104 -6.719 -1.809 -8.277 793 HG1 THR 104 HG1 THR 104 -8.619 -2.625 -9.140 794 HG21 THR 104 HG21 THR 104 -7.678 -0.989 -10.628 795 HG22 THR 104 HG22 THR 104 -6.091 -1.544 -11.168 796 HG23 THR 104 HG23 THR 104 -6.215 -0.306 -9.917 797 H LEU 105 HN LEU 105 -4.544 -2.447 -7.019 798 HA LEU 105 HA LEU 105 -2.998 -0.237 -7.631 799 HG LEU 105 HG LEU 105 -3.610 -3.054 -5.412 800 HB2 LEU 105 HB2 LEU 105 -1.574 -1.414 -5.539 801 HB3 LEU 105 HB1 LEU 105 -2.809 -0.192 -5.424 802 HD11 LEU 105 HD11 LEU 105 -3.480 -2.630 -2.820 803 HD12 LEU 105 HD12 LEU 105 -2.199 -1.515 -3.288 804 HD13 LEU 105 HD13 LEU 105 -2.074 -3.224 -3.704 805 HD21 LEU 105 HD21 LEU 105 -5.479 -2.192 -4.194 806 HD22 LEU 105 HD22 LEU 105 -5.231 -1.143 -5.587 807 HD23 LEU 105 HD23 LEU 105 -4.689 -0.635 -3.990 808 H VAL 106 HN VAL 106 -2.266 -3.598 -8.083 809 HA VAL 106 HA VAL 106 0.556 -3.300 -8.351 810 HB VAL 106 HB VAL 106 -1.258 -5.456 -9.451 811 HG11 VAL 106 HG11 VAL 106 0.808 -6.809 -9.556 812 HG12 VAL 106 HG12 VAL 106 1.741 -5.372 -9.135 813 HG13 VAL 106 HG13 VAL 106 0.841 -5.426 -10.651 814 HG21 VAL 106 HG21 VAL 106 -0.864 -6.682 -7.504 815 HG22 VAL 106 HG22 VAL 106 -1.137 -5.041 -6.915 816 HG23 VAL 106 HG23 VAL 106 0.504 -5.674 -7.035 817 H ALA 107 HN ALA 107 -2.183 -3.138 -10.536 818 HA ALA 107 HA ALA 107 -0.553 -2.871 -12.897 819 HB1 ALA 107 HB1 ALA 107 -2.650 -2.538 -14.070 820 HB2 ALA 107 HB2 ALA 107 -3.506 -2.358 -12.538 821 HB3 ALA 107 HB3 ALA 107 -2.789 -3.910 -12.971 822 H GLU 108 HN GLU 108 -1.990 -0.789 -10.529 823 HA GLU 108 HA GLU 108 -2.068 1.622 -11.963 824 HB2 GLU 108 HB2 GLU 108 -1.768 1.000 -9.039 825 HB3 GLU 108 HB1 GLU 108 -1.824 2.652 -9.640 826 HG2 GLU 108 HG2 GLU 108 -3.969 0.743 -10.400 827 HG3 GLU 108 HG1 GLU 108 -4.000 1.513 -8.814 828 H SER 109 HN SER 109 0.287 0.736 -9.444 829 HA SER 109 HA SER 109 2.132 2.688 -9.872 830 HG SER 109 HG SER 109 2.932 -0.959 -8.265 831 HB2 SER 109 HB2 SER 109 3.684 1.096 -8.791 832 HB3 SER 109 HB1 SER 109 2.155 1.223 -7.954 Start of MODEL 10 1 HA SER 1 HA SER 1 3.414 -7.505 7.984 2 HG SER 1 HG SER 1 6.553 -8.786 9.940 3 H1 SER 1 HT1 SER 1 2.497 -9.491 8.992 4 H2 SER 1 HT2 SER 1 3.287 -8.533 10.142 5 H3 SER 1 HT3 SER 1 4.028 -9.937 9.558 6 HB2 SER 1 HB2 SER 1 5.874 -7.262 7.861 7 HB3 SER 1 HB1 SER 1 5.289 -7.175 9.523 8 H MET 2 HN MET 2 4.686 -7.564 5.889 9 HA MET 2 HA MET 2 4.329 -10.214 4.670 10 HB2 MET 2 HB2 MET 2 4.488 -8.749 2.517 11 HB3 MET 2 HB1 MET 2 2.992 -8.798 3.442 12 HG2 MET 2 HG2 MET 2 3.576 -6.538 2.743 13 HG3 MET 2 HG1 MET 2 3.540 -6.697 4.498 14 HE1 MET 2 HE1 MET 2 4.874 -4.178 3.191 15 HE2 MET 2 HE2 MET 2 6.370 -4.072 4.118 16 HE3 MET 2 HE3 MET 2 4.860 -4.498 4.926 17 H THR 3 HN THR 3 6.645 -10.074 6.040 18 HA THR 3 HA THR 3 8.805 -9.080 4.444 19 HB THR 3 HB THR 3 8.987 -11.075 6.704 20 HG1 THR 3 HG1 THR 3 8.768 -8.246 6.697 21 HG21 THR 3 HG21 THR 3 10.913 -10.234 4.965 22 HG22 THR 3 HG22 THR 3 11.219 -10.809 6.605 23 HG23 THR 3 HG23 THR 3 11.094 -9.079 6.284 24 H ASP 4 HN ASP 4 7.220 -12.178 4.880 25 HA ASP 4 HA ASP 4 9.165 -13.691 3.424 26 HB2 ASP 4 HB2 ASP 4 6.287 -14.391 4.045 27 HB3 ASP 4 HB1 ASP 4 7.553 -15.513 3.554 28 H LEU 5 HN LEU 5 6.618 -11.608 2.507 29 HA LEU 5 HA LEU 5 6.457 -12.839 -0.155 30 HG LEU 5 HG LEU 5 2.961 -12.581 1.220 31 HB2 LEU 5 HB2 LEU 5 4.651 -10.716 0.959 32 HB3 LEU 5 HB1 LEU 5 4.374 -11.719 -0.447 33 HD11 LEU 5 HD11 LEU 5 4.029 -14.787 1.815 34 HD12 LEU 5 HD12 LEU 5 5.484 -14.176 1.027 35 HD13 LEU 5 HD13 LEU 5 3.998 -14.372 0.101 36 HD21 LEU 5 HD21 LEU 5 3.445 -12.834 3.474 37 HD22 LEU 5 HD22 LEU 5 4.303 -11.350 3.059 38 HD23 LEU 5 HD23 LEU 5 5.186 -12.870 3.199 39 H LEU 6 HN LEU 6 6.292 -9.531 1.189 40 HA LEU 6 HA LEU 6 7.306 -8.406 -1.253 41 HG LEU 6 HG LEU 6 4.683 -7.799 0.613 42 HB2 LEU 6 HB2 LEU 6 6.816 -7.121 1.435 43 HB3 LEU 6 HB1 LEU 6 7.183 -6.262 -0.051 44 HD11 LEU 6 HD11 LEU 6 4.897 -5.451 1.401 45 HD12 LEU 6 HD12 LEU 6 3.582 -5.699 0.255 46 HD13 LEU 6 HD13 LEU 6 5.086 -4.948 -0.277 47 HD21 LEU 6 HD21 LEU 6 5.193 -8.412 -1.625 48 HD22 LEU 6 HD22 LEU 6 5.647 -6.759 -2.039 49 HD23 LEU 6 HD23 LEU 6 3.966 -7.152 -1.692 50 H SER 7 HN SER 7 9.262 -7.370 -1.590 51 HA SER 7 HA SER 7 11.530 -8.541 -0.457 52 HG SER 7 HG SER 7 10.901 -7.658 -3.396 53 HB2 SER 7 HB2 SER 7 11.185 -6.000 -2.049 54 HB3 SER 7 HB1 SER 7 12.763 -6.627 -1.575 55 H ALA 8 HN ALA 8 12.273 -8.312 1.535 56 HA ALA 8 HA ALA 8 11.416 -6.417 3.391 57 HB1 ALA 8 HB1 ALA 8 13.974 -8.006 3.452 58 HB2 ALA 8 HB2 ALA 8 12.394 -8.588 3.976 59 HB3 ALA 8 HB3 ALA 8 13.171 -7.255 4.831 60 H GLU 9 HN GLU 9 14.380 -6.449 1.416 61 HA GLU 9 HA GLU 9 15.454 -4.096 2.608 62 HB2 GLU 9 HB2 GLU 9 17.156 -4.198 0.963 63 HB3 GLU 9 HB1 GLU 9 16.762 -5.866 1.355 64 HG2 GLU 9 HG2 GLU 9 15.345 -5.967 -0.665 65 HG3 GLU 9 HG1 GLU 9 15.855 -4.326 -1.065 66 H ASP 10 HN ASP 10 13.679 -4.716 -0.394 67 HA ASP 10 HA ASP 10 13.739 -2.227 -1.570 68 HB2 ASP 10 HB2 ASP 10 11.410 -4.142 -1.397 69 HB3 ASP 10 HB1 ASP 10 11.555 -2.825 -2.565 70 H ILE 11 HN ILE 11 11.356 -3.437 0.741 71 HA ILE 11 HA ILE 11 9.823 -1.103 0.984 72 HB ILE 11 HB ILE 11 10.315 -3.275 3.008 73 HG12 ILE 11 HG12 ILE 11 7.867 -3.185 1.325 74 HG13 ILE 11 HG11 ILE 11 9.361 -3.754 0.580 75 HG21 ILE 11 HG21 ILE 11 8.092 -2.624 3.891 76 HG22 ILE 11 HG22 ILE 11 8.081 -1.267 2.761 77 HG23 ILE 11 HG23 ILE 11 9.295 -1.342 4.042 78 HD11 ILE 11 HD11 ILE 11 8.396 -5.698 1.341 79 HD12 ILE 11 HD12 ILE 11 7.780 -4.943 2.810 80 HD13 ILE 11 HD13 ILE 11 9.500 -5.296 2.654 81 H LYS 12 HN LYS 12 12.387 -2.335 3.150 82 HA LYS 12 HA LYS 12 12.372 -0.102 4.860 83 HB2 LYS 12 HB2 LYS 12 13.455 -2.382 5.248 84 HB3 LYS 12 HB1 LYS 12 14.800 -1.791 4.281 85 HG2 LYS 12 HG2 LYS 12 14.924 0.151 5.895 86 HG3 LYS 12 HG1 LYS 12 13.821 -0.762 6.922 87 HD2 LYS 12 HD2 LYS 12 15.394 -2.599 7.046 88 HD3 LYS 12 HD1 LYS 12 16.485 -1.775 5.933 89 HE2 LYS 12 HE2 LYS 12 16.866 -0.015 7.531 90 HE3 LYS 12 HE1 LYS 12 15.655 -0.691 8.620 91 HZ1 LYS 12 HZ1 LYS 12 18.185 -2.034 7.830 92 HZ2 LYS 12 HZ2 LYS 12 17.037 -2.639 8.913 93 HZ3 LYS 12 HZ3 LYS 12 17.915 -1.247 9.305 94 H LYS 13 HN LYS 13 14.304 -0.863 2.001 95 HA LYS 13 HA LYS 13 15.945 1.429 2.040 96 HB2 LYS 13 HB2 LYS 13 15.038 -0.313 -0.258 97 HB3 LYS 13 HB1 LYS 13 16.276 0.928 -0.390 98 HG2 LYS 13 HG2 LYS 13 17.790 -0.261 0.913 99 HG3 LYS 13 HG1 LYS 13 16.531 -1.288 1.597 100 HD2 LYS 13 HD2 LYS 13 18.029 -2.377 -0.129 101 HD3 LYS 13 HD1 LYS 13 16.296 -2.508 -0.423 102 HE2 LYS 13 HE2 LYS 13 17.596 -1.960 -2.456 103 HE3 LYS 13 HE1 LYS 13 16.380 -0.746 -2.053 104 HZ1 LYS 13 HZ1 LYS 13 18.117 0.616 -1.073 105 HZ2 LYS 13 HZ2 LYS 13 18.479 0.270 -2.687 106 HZ3 LYS 13 HZ3 LYS 13 19.284 -0.552 -1.447 107 H ALA 14 HN ALA 14 13.010 0.653 0.247 108 HA ALA 14 HA ALA 14 12.745 3.110 -1.102 109 HB1 ALA 14 HB1 ALA 14 10.556 1.159 -0.427 110 HB2 ALA 14 HB2 ALA 14 11.695 0.949 -1.754 111 HB3 ALA 14 HB3 ALA 14 10.585 2.320 -1.750 112 H ILE 15 HN ILE 15 11.141 1.844 1.802 113 HA ILE 15 HA ILE 15 9.423 3.941 2.267 114 HB ILE 15 HB ILE 15 10.679 1.943 4.079 115 HG12 ILE 15 HG12 ILE 15 7.979 2.614 2.954 116 HG13 ILE 15 HG11 ILE 15 8.986 1.226 2.569 117 HG21 ILE 15 HG21 ILE 15 10.482 3.683 5.646 118 HG22 ILE 15 HG22 ILE 15 8.950 2.821 5.789 119 HG23 ILE 15 HG23 ILE 15 9.034 4.328 4.876 120 HD11 ILE 15 HD11 ILE 15 7.644 0.153 3.996 121 HD12 ILE 15 HD12 ILE 15 7.060 1.657 4.703 122 HD13 ILE 15 HD13 ILE 15 8.582 0.951 5.258 123 H GLY 16 HN GLY 16 12.785 3.538 3.349 124 HA2 GLY 16 HA2 GLY 16 12.766 6.259 4.432 125 HA3 GLY 16 HA1 GLY 16 14.025 5.061 4.681 126 H ALA 17 HN ALA 17 13.448 4.873 1.476 127 HA ALA 17 HA ALA 17 15.853 6.161 0.761 128 HB1 ALA 17 HB1 ALA 17 14.836 5.878 -1.622 129 HB2 ALA 17 HB2 ALA 17 13.609 4.935 -0.776 130 HB3 ALA 17 HB3 ALA 17 15.305 4.460 -0.687 131 H PHE 18 HN PHE 18 12.459 7.106 0.235 132 HA PHE 18 HA PHE 18 13.331 9.881 0.035 133 HD1 PHE 18 HD1 PHE 18 11.730 6.608 -1.489 134 HD2 PHE 18 HD2 PHE 18 10.199 10.261 -3.038 135 HE1 PHE 18 HE1 PHE 18 9.717 5.427 -2.274 136 HE2 PHE 18 HE2 PHE 18 8.180 9.086 -3.823 137 HZ PHE 18 HZ PHE 18 7.940 6.669 -3.438 138 HB2 PHE 18 HB2 PHE 18 12.236 10.279 -2.028 139 HB3 PHE 18 HB1 PHE 18 13.179 8.809 -2.249 140 H THR 19 HN THR 19 11.729 11.415 0.523 141 HA THR 19 HA THR 19 9.676 10.409 2.297 142 HB THR 19 HB THR 19 11.016 12.348 2.981 143 HG1 THR 19 HG1 THR 19 8.268 12.973 2.529 144 HG21 THR 19 HG21 THR 19 10.705 14.520 1.901 145 HG22 THR 19 HG22 THR 19 9.656 13.777 0.693 146 HG23 THR 19 HG23 THR 19 11.363 13.342 0.764 147 H ALA 20 HN ALA 20 9.879 11.754 -0.908 148 HA ALA 20 HA ALA 20 7.408 12.801 -1.370 149 HB1 ALA 20 HB1 ALA 20 8.450 10.950 -3.435 150 HB2 ALA 20 HB2 ALA 20 9.443 12.327 -2.965 151 HB3 ALA 20 HB3 ALA 20 7.817 12.587 -3.595 152 H ALA 21 HN ALA 21 8.193 9.467 -0.791 153 HA ALA 21 HA ALA 21 5.998 8.165 -1.856 154 HB1 ALA 21 HB1 ALA 21 7.400 7.566 0.745 155 HB2 ALA 21 HB2 ALA 21 7.882 6.986 -0.849 156 HB3 ALA 21 HB3 ALA 21 6.355 6.454 -0.140 157 H ASP 22 HN ASP 22 6.345 9.370 1.448 158 HA ASP 22 HA ASP 22 3.482 9.207 1.891 159 HB2 ASP 22 HB2 ASP 22 5.755 10.065 3.693 160 HB3 ASP 22 HB1 ASP 22 4.070 9.974 4.191 161 H SER 23 HN SER 23 5.754 11.550 0.865 162 HA SER 23 HA SER 23 4.192 13.796 1.787 163 HG SER 23 HG SER 23 5.595 15.586 -0.256 164 HB2 SER 23 HB2 SER 23 6.594 14.022 1.889 165 HB3 SER 23 HB1 SER 23 6.745 13.657 0.175 166 H PHE 24 HN PHE 24 5.322 12.632 -1.398 167 HA PHE 24 HA PHE 24 3.289 14.287 -2.671 168 HD1 PHE 24 HD2 PHE 24 4.131 15.820 -5.081 169 HD2 PHE 24 HD1 PHE 24 4.469 11.615 -5.641 170 HE1 PHE 24 HE2 PHE 24 3.199 16.050 -7.348 171 HE2 PHE 24 HE1 PHE 24 3.536 11.836 -7.906 172 HZ PHE 24 HZ PHE 24 2.900 14.058 -8.762 173 HB2 PHE 24 HB2 PHE 24 5.500 14.453 -3.608 174 HB3 PHE 24 HB1 PHE 24 5.592 12.709 -3.817 175 H ASP 25 HN ASP 25 4.443 10.929 -3.255 176 HA ASP 25 HA ASP 25 1.744 9.931 -3.193 177 HB2 ASP 25 HB2 ASP 25 1.866 11.023 -5.426 178 HB3 ASP 25 HB1 ASP 25 3.195 9.942 -5.844 179 H HIS 26 HN HIS 26 1.780 7.897 -2.516 180 HA HIS 26 HA HIS 26 4.229 6.468 -2.234 181 HD1 HIS 26 HD1 HIS 26 4.710 5.232 0.059 182 HD2 HIS 26 HD2 HIS 26 1.112 7.203 0.707 183 HE1 HIS 26 HE1 HIS 26 4.866 6.164 2.388 184 HE2 HIS 26 HE2 HIS 26 2.651 7.296 2.784 185 HB2 HIS 26 HB2 HIS 26 1.359 5.864 -1.621 186 HB3 HIS 26 HB1 HIS 26 2.556 4.576 -1.559 187 H LYS 27 HN LYS 27 2.072 6.759 -4.852 188 HA LYS 27 HA LYS 27 1.919 4.312 -6.006 189 HB2 LYS 27 HB2 LYS 27 2.264 7.057 -7.151 190 HB3 LYS 27 HB1 LYS 27 2.224 5.664 -8.210 191 HG2 LYS 27 HG2 LYS 27 0.042 5.775 -6.260 192 HG3 LYS 27 HG1 LYS 27 0.048 7.077 -7.450 193 HD2 LYS 27 HD2 LYS 27 -1.201 5.463 -8.521 194 HD3 LYS 27 HD1 LYS 27 0.413 5.132 -9.149 195 HE2 LYS 27 HE2 LYS 27 -0.503 3.046 -8.549 196 HE3 LYS 27 HE1 LYS 27 0.660 3.450 -7.288 197 HZ1 LYS 27 HZ1 LYS 27 -1.344 4.389 -6.059 198 HZ2 LYS 27 HZ2 LYS 27 -1.210 2.707 -6.147 199 HZ3 LYS 27 HZ3 LYS 27 -2.291 3.520 -7.161 200 H LYS 28 HN LYS 28 4.564 6.644 -6.455 201 HA LYS 28 HA LYS 28 6.237 4.947 -7.936 202 HB2 LYS 28 HB2 LYS 28 6.847 7.293 -6.129 203 HB3 LYS 28 HB1 LYS 28 8.066 6.502 -7.124 204 HG2 LYS 28 HG2 LYS 28 5.578 7.847 -8.161 205 HG3 LYS 28 HG1 LYS 28 7.195 8.551 -8.150 206 HD2 LYS 28 HD2 LYS 28 6.325 6.077 -9.643 207 HD3 LYS 28 HD1 LYS 28 6.692 7.654 -10.347 208 HE2 LYS 28 HE2 LYS 28 9.005 7.447 -9.487 209 HE3 LYS 28 HE1 LYS 28 8.616 5.828 -8.910 210 HZ1 LYS 28 HZ1 LYS 28 9.719 5.711 -11.031 211 HZ2 LYS 28 HZ2 LYS 28 8.577 6.739 -11.735 212 HZ3 LYS 28 HZ3 LYS 28 8.116 5.200 -11.211 213 H PHE 29 HN PHE 29 6.103 5.677 -4.473 214 HA PHE 29 HA PHE 29 8.174 4.102 -3.558 215 HD1 PHE 29 HD2 PHE 29 8.818 3.705 -1.007 216 HD2 PHE 29 HD1 PHE 29 4.584 3.295 -0.906 217 HE1 PHE 29 HE2 PHE 29 9.023 2.076 0.823 218 HE2 PHE 29 HE1 PHE 29 4.782 1.665 0.924 219 HZ PHE 29 HZ PHE 29 7.002 1.052 1.789 220 HB2 PHE 29 HB2 PHE 29 7.112 5.479 -1.954 221 HB3 PHE 29 HB1 PHE 29 5.519 4.836 -2.331 222 H PHE 30 HN PHE 30 4.990 3.173 -4.637 223 HA PHE 30 HA PHE 30 4.907 0.558 -3.630 224 HD1 PHE 30 HD2 PHE 30 2.182 1.764 -3.011 225 HD2 PHE 30 HD1 PHE 30 2.833 -1.332 -5.844 226 HE1 PHE 30 HE2 PHE 30 0.550 0.352 -1.826 227 HE2 PHE 30 HE1 PHE 30 1.203 -2.752 -4.670 228 HZ PHE 30 HZ PHE 30 0.059 -1.916 -2.657 229 HB2 PHE 30 HB2 PHE 30 3.276 2.175 -5.194 230 HB3 PHE 30 HB1 PHE 30 3.676 0.816 -6.245 231 H GLN 31 HN GLN 31 6.504 1.948 -6.361 232 HA GLN 31 HA GLN 31 7.242 -0.592 -7.515 233 HB2 GLN 31 HB2 GLN 31 8.376 2.088 -8.237 234 HB3 GLN 31 HB1 GLN 31 8.237 0.664 -9.253 235 HG2 GLN 31 HG2 GLN 31 5.753 0.931 -9.126 236 HG3 GLN 31 HG1 GLN 31 6.023 2.462 -8.298 237 HE21 GLN 31 HE21 GLN 31 5.024 3.630 -9.936 238 HE22 GLN 31 HE22 GLN 31 5.774 3.892 -11.471 239 H MET 32 HN MET 32 8.814 1.987 -5.697 240 HA MET 32 HA MET 32 11.396 0.761 -5.704 241 HB2 MET 32 HB2 MET 32 10.549 2.733 -3.619 242 HB3 MET 32 HB1 MET 32 12.107 2.558 -4.411 243 HG2 MET 32 HG2 MET 32 11.011 3.374 -6.514 244 HG3 MET 32 HG1 MET 32 9.589 3.738 -5.538 245 HE1 MET 32 HE1 MET 32 13.345 4.089 -4.382 246 HE2 MET 32 HE2 MET 32 13.698 5.737 -4.904 247 HE3 MET 32 HE3 MET 32 13.388 4.479 -6.101 248 H VAL 33 HN VAL 33 8.613 0.664 -3.612 249 HA VAL 33 HA VAL 33 9.831 -0.437 -1.316 250 HB VAL 33 HB VAL 33 7.597 0.650 -1.323 251 HG11 VAL 33 HG11 VAL 33 6.515 -1.922 -2.416 252 HG12 VAL 33 HG12 VAL 33 6.920 -0.568 -3.460 253 HG13 VAL 33 HG13 VAL 33 5.693 -0.378 -2.207 254 HG21 VAL 33 HG21 VAL 33 7.907 -0.506 0.629 255 HG22 VAL 33 HG22 VAL 33 8.026 -2.053 -0.206 256 HG23 VAL 33 HG23 VAL 33 6.455 -1.289 0.001 257 H GLY 34 HN GLY 34 8.794 -1.815 -4.290 258 HA2 GLY 34 HA2 GLY 34 9.502 -3.931 -5.069 259 HA3 GLY 34 HA1 GLY 34 9.799 -4.413 -3.407 260 H LEU 35 HN LEU 35 6.790 -2.877 -4.076 261 HA LEU 35 HA LEU 35 5.320 -5.170 -3.233 262 HG LEU 35 HG LEU 35 4.842 -3.437 -1.656 263 HB2 LEU 35 HB2 LEU 35 4.666 -2.413 -4.124 264 HB3 LEU 35 HB1 LEU 35 3.397 -3.614 -4.241 265 HD11 LEU 35 HD11 LEU 35 4.327 -1.330 -1.186 266 HD12 LEU 35 HD12 LEU 35 2.643 -1.609 -1.630 267 HD13 LEU 35 HD13 LEU 35 3.805 -1.110 -2.857 268 HD21 LEU 35 HD21 LEU 35 3.189 -5.020 -1.584 269 HD22 LEU 35 HD22 LEU 35 2.148 -4.135 -2.698 270 HD23 LEU 35 HD23 LEU 35 2.295 -3.606 -1.020 271 H LYS 36 HN LYS 36 6.174 -3.744 -6.282 272 HA LYS 36 HA LYS 36 4.453 -5.473 -7.823 273 HB2 LYS 36 HB2 LYS 36 6.633 -3.535 -8.586 274 HB3 LYS 36 HB1 LYS 36 5.725 -4.475 -9.762 275 HG2 LYS 36 HG2 LYS 36 3.929 -3.142 -9.622 276 HG3 LYS 36 HG1 LYS 36 4.057 -2.995 -7.866 277 HD2 LYS 36 HD2 LYS 36 4.402 -0.857 -9.204 278 HD3 LYS 36 HD1 LYS 36 5.628 -1.262 -8.024 279 HE2 LYS 36 HE2 LYS 36 6.507 -0.456 -10.204 280 HE3 LYS 36 HE1 LYS 36 7.110 -2.040 -9.731 281 HZ1 LYS 36 HZ1 LYS 36 6.492 -2.005 -12.059 282 HZ2 LYS 36 HZ2 LYS 36 4.921 -1.515 -11.672 283 HZ3 LYS 36 HZ3 LYS 36 5.467 -3.047 -11.207 284 H LYS 37 HN LYS 37 7.527 -5.697 -6.363 285 HA LYS 37 HA LYS 37 9.098 -7.179 -8.019 286 HB2 LYS 37 HB2 LYS 37 9.681 -6.421 -5.717 287 HB3 LYS 37 HB1 LYS 37 8.699 -7.724 -5.064 288 HG2 LYS 37 HG2 LYS 37 10.908 -8.343 -6.973 289 HG3 LYS 37 HG1 LYS 37 11.269 -8.009 -5.279 290 HD2 LYS 37 HD2 LYS 37 9.608 -9.785 -4.670 291 HD3 LYS 37 HD1 LYS 37 9.498 -10.186 -6.385 292 HE2 LYS 37 HE2 LYS 37 12.006 -10.266 -4.712 293 HE3 LYS 37 HE1 LYS 37 11.053 -11.665 -5.206 294 HZ1 LYS 37 HZ1 LYS 37 11.536 -11.132 -7.513 295 HZ2 LYS 37 HZ2 LYS 37 12.968 -11.348 -6.639 296 HZ3 LYS 37 HZ3 LYS 37 12.449 -9.789 -7.037 297 H LYS 38 HN LYS 38 6.297 -8.290 -6.192 298 HA LYS 38 HA LYS 38 6.486 -10.853 -7.631 299 HB2 LYS 38 HB2 LYS 38 5.624 -10.330 -4.792 300 HB3 LYS 38 HB1 LYS 38 5.252 -11.825 -5.633 301 HG2 LYS 38 HG2 LYS 38 7.758 -12.027 -6.038 302 HG3 LYS 38 HG1 LYS 38 7.928 -10.759 -4.820 303 HD2 LYS 38 HD2 LYS 38 6.713 -12.139 -3.211 304 HD3 LYS 38 HD1 LYS 38 6.523 -13.398 -4.434 305 HE2 LYS 38 HE2 LYS 38 9.162 -12.379 -3.387 306 HE3 LYS 38 HE1 LYS 38 8.364 -13.858 -2.850 307 HZ1 LYS 38 HZ1 LYS 38 10.062 -14.310 -4.510 308 HZ2 LYS 38 HZ2 LYS 38 9.280 -13.301 -5.620 309 HZ3 LYS 38 HZ3 LYS 38 8.530 -14.723 -5.097 310 H SER 39 HN SER 39 4.144 -11.991 -7.191 311 HA SER 39 HA SER 39 2.352 -10.474 -8.798 312 HG SER 39 HG SER 39 2.289 -14.005 -9.274 313 HB2 SER 39 HB2 SER 39 1.894 -13.044 -7.264 314 HB3 SER 39 HB1 SER 39 0.809 -12.383 -8.488 315 H ALA 40 HN ALA 40 -0.045 -10.340 -8.091 316 HA ALA 40 HA ALA 40 -0.198 -8.527 -5.926 317 HB1 ALA 40 HB1 ALA 40 -2.748 -8.953 -6.330 318 HB2 ALA 40 HB2 ALA 40 -2.166 -9.816 -7.756 319 HB3 ALA 40 HB3 ALA 40 -1.779 -8.110 -7.538 320 H ASP 41 HN ASP 41 -0.324 -11.954 -6.056 321 HA ASP 41 HA ASP 41 -1.962 -12.340 -3.745 322 HB2 ASP 41 HB2 ASP 41 0.039 -14.329 -4.792 323 HB3 ASP 41 HB1 ASP 41 -1.480 -14.633 -3.948 324 H ASP 42 HN ASP 42 1.481 -12.016 -4.360 325 HA ASP 42 HA ASP 42 2.350 -12.755 -1.763 326 HB2 ASP 42 HB2 ASP 42 3.685 -10.970 -3.813 327 HB3 ASP 42 HB1 ASP 42 4.471 -11.657 -2.393 328 H VAL 43 HN VAL 43 1.866 -9.595 -3.310 329 HA VAL 43 HA VAL 43 2.361 -7.989 -1.068 330 HB VAL 43 HB VAL 43 1.137 -6.232 -2.255 331 HG11 VAL 43 HG11 VAL 43 3.081 -7.945 -3.687 332 HG12 VAL 43 HG12 VAL 43 3.200 -6.248 -3.212 333 HG13 VAL 43 HG13 VAL 43 2.254 -6.707 -4.630 334 HG21 VAL 43 HG21 VAL 43 0.195 -8.487 -4.018 335 HG22 VAL 43 HG22 VAL 43 0.032 -6.782 -4.433 336 HG23 VAL 43 HG23 VAL 43 -0.793 -7.428 -3.014 337 H LYS 44 HN LYS 44 -0.480 -9.620 -2.231 338 HA LYS 44 HA LYS 44 -2.512 -8.525 -0.753 339 HB2 LYS 44 HB2 LYS 44 -2.016 -11.098 -2.079 340 HB3 LYS 44 HB1 LYS 44 -3.212 -11.164 -0.792 341 HG2 LYS 44 HG2 LYS 44 -4.569 -9.527 -1.865 342 HG3 LYS 44 HG1 LYS 44 -3.312 -9.184 -3.055 343 HD2 LYS 44 HD2 LYS 44 -5.167 -10.624 -3.905 344 HD3 LYS 44 HD1 LYS 44 -3.569 -11.346 -4.048 345 HE2 LYS 44 HE2 LYS 44 -3.976 -12.655 -2.025 346 HE3 LYS 44 HE1 LYS 44 -5.572 -11.919 -1.867 347 HZ1 LYS 44 HZ1 LYS 44 -5.707 -14.101 -2.887 348 HZ2 LYS 44 HZ2 LYS 44 -4.664 -13.620 -4.128 349 HZ3 LYS 44 HZ3 LYS 44 -6.192 -12.908 -3.986 350 H LYS 45 HN LYS 45 0.075 -10.511 0.424 351 HA LYS 45 HA LYS 45 -1.203 -11.717 2.613 352 HB2 LYS 45 HB2 LYS 45 1.569 -11.236 1.764 353 HB3 LYS 45 HB1 LYS 45 1.354 -11.346 3.506 354 HG2 LYS 45 HG2 LYS 45 1.896 -13.515 2.537 355 HG3 LYS 45 HG1 LYS 45 0.287 -13.517 3.255 356 HD2 LYS 45 HD2 LYS 45 -0.688 -13.173 1.022 357 HD3 LYS 45 HD1 LYS 45 0.932 -13.233 0.321 358 HE2 LYS 45 HE2 LYS 45 -0.224 -15.381 0.111 359 HE3 LYS 45 HE1 LYS 45 1.213 -15.512 1.125 360 HZ1 LYS 45 HZ1 LYS 45 -1.552 -15.210 2.164 361 HZ2 LYS 45 HZ2 LYS 45 -0.156 -15.485 3.077 362 HZ3 LYS 45 HZ3 LYS 45 -0.733 -16.684 2.034 363 H VAL 46 HN VAL 46 0.580 -8.654 2.350 364 HA VAL 46 HA VAL 46 0.364 -7.906 5.034 365 HB VAL 46 HB VAL 46 1.718 -6.796 3.155 366 HG11 VAL 46 HG11 VAL 46 0.780 -4.937 2.000 367 HG12 VAL 46 HG12 VAL 46 -0.738 -5.083 2.885 368 HG13 VAL 46 HG13 VAL 46 -0.276 -6.321 1.720 369 HG21 VAL 46 HG21 VAL 46 1.741 -4.643 4.346 370 HG22 VAL 46 HG22 VAL 46 1.760 -6.025 5.441 371 HG23 VAL 46 HG23 VAL 46 0.268 -5.118 5.191 372 H PHE 47 HN PHE 47 -1.945 -7.904 2.454 373 HA PHE 47 HA PHE 47 -3.807 -6.054 3.156 374 HD1 PHE 47 HD1 PHE 47 -5.339 -5.257 2.021 375 HD2 PHE 47 HD2 PHE 47 -6.736 -9.274 1.949 376 HE1 PHE 47 HE1 PHE 47 -7.646 -4.444 1.748 377 HE2 PHE 47 HE2 PHE 47 -9.047 -8.470 1.678 378 HZ PHE 47 HZ PHE 47 -9.501 -6.051 1.574 379 HB2 PHE 47 HB2 PHE 47 -3.951 -7.651 1.237 380 HB3 PHE 47 HB1 PHE 47 -4.515 -8.862 2.385 381 H HIS 48 HN HIS 48 -3.514 -9.335 4.500 382 HA HIS 48 HA HIS 48 -5.705 -8.963 6.302 383 HD1 HIS 48 HD1 HIS 48 -3.551 -11.001 8.973 384 HD2 HIS 48 HD2 HIS 48 -7.112 -12.094 7.130 385 HE1 HIS 48 HE1 HIS 48 -4.941 -12.069 10.776 386 HE2 HIS 48 HE2 HIS 48 -7.102 -12.702 9.644 387 HB2 HIS 48 HB2 HIS 48 -5.072 -11.208 5.521 388 HB3 HIS 48 HB1 HIS 48 -3.506 -11.049 6.311 389 H ILE 49 HN ILE 49 -2.256 -8.521 6.404 390 HA ILE 49 HA ILE 49 -1.893 -8.292 9.175 391 HB ILE 49 HB ILE 49 -0.439 -6.720 7.046 392 HG12 ILE 49 HG12 ILE 49 -0.383 -9.058 6.421 393 HG13 ILE 49 HG11 ILE 49 1.194 -8.606 7.061 394 HG21 ILE 49 HG21 ILE 49 0.360 -7.591 9.820 395 HG22 ILE 49 HG22 ILE 49 0.026 -5.945 9.282 396 HG23 ILE 49 HG23 ILE 49 1.432 -6.809 8.659 397 HD11 ILE 49 HD11 ILE 49 0.546 -9.610 9.226 398 HD12 ILE 49 HD12 ILE 49 0.594 -10.763 7.893 399 HD13 ILE 49 HD13 ILE 49 -0.955 -10.156 8.479 400 H LEU 50 HN LEU 50 -2.533 -5.856 6.686 401 HA LEU 50 HA LEU 50 -2.949 -3.780 8.630 402 HG LEU 50 HG LEU 50 -3.489 -4.949 5.204 403 HB2 LEU 50 HB2 LEU 50 -3.269 -2.378 6.678 404 HB3 LEU 50 HB1 LEU 50 -1.828 -3.359 6.524 405 HD11 LEU 50 HD11 LEU 50 -4.662 -2.195 4.884 406 HD12 LEU 50 HD12 LEU 50 -5.468 -3.632 5.513 407 HD13 LEU 50 HD13 LEU 50 -4.993 -3.558 3.816 408 HD21 LEU 50 HD21 LEU 50 -2.669 -3.951 3.152 409 HD22 LEU 50 HD22 LEU 50 -1.394 -3.971 4.371 410 HD23 LEU 50 HD23 LEU 50 -2.250 -2.470 4.012 411 H ASP 51 HN ASP 51 -4.944 -5.917 6.661 412 HA ASP 51 HA ASP 51 -7.356 -4.438 7.387 413 HB2 ASP 51 HB2 ASP 51 -7.009 -5.372 5.067 414 HB3 ASP 51 HB1 ASP 51 -7.164 -6.979 5.764 415 H LYS 52 HN LYS 52 -6.119 -5.495 9.613 416 HA LYS 52 HA LYS 52 -7.113 -8.058 10.318 417 HB2 LYS 52 HB2 LYS 52 -6.257 -7.603 12.504 418 HB3 LYS 52 HB1 LYS 52 -5.128 -6.926 11.335 419 HG2 LYS 52 HG2 LYS 52 -6.215 -4.714 11.677 420 HG3 LYS 52 HG1 LYS 52 -7.153 -5.438 12.982 421 HD2 LYS 52 HD2 LYS 52 -4.149 -5.249 12.846 422 HD3 LYS 52 HD1 LYS 52 -5.217 -4.265 13.849 423 HE2 LYS 52 HE2 LYS 52 -5.963 -6.284 15.022 424 HE3 LYS 52 HE1 LYS 52 -4.880 -7.257 14.027 425 HZ1 LYS 52 HZ1 LYS 52 -3.003 -6.046 14.951 426 HZ2 LYS 52 HZ2 LYS 52 -3.905 -6.781 16.180 427 HZ3 LYS 52 HZ3 LYS 52 -4.044 -5.117 15.909 428 H ASP 53 HN ASP 53 -8.132 -4.757 11.211 429 HA ASP 53 HA ASP 53 -10.720 -5.876 12.054 430 HB2 ASP 53 HB2 ASP 53 -9.522 -4.917 13.945 431 HB3 ASP 53 HB1 ASP 53 -9.298 -3.407 13.067 432 H LYS 54 HN LYS 54 -9.357 -4.340 9.539 433 HA LYS 54 HA LYS 54 -11.070 -2.122 9.129 434 HB2 LYS 54 HB2 LYS 54 -9.649 -3.647 6.971 435 HB3 LYS 54 HB1 LYS 54 -10.120 -1.953 6.994 436 HG2 LYS 54 HG2 LYS 54 -8.031 -3.196 8.765 437 HG3 LYS 54 HG1 LYS 54 -7.718 -2.232 7.326 438 HD2 LYS 54 HD2 LYS 54 -8.823 -0.315 8.360 439 HD3 LYS 54 HD1 LYS 54 -9.170 -1.285 9.795 440 HE2 LYS 54 HE2 LYS 54 -6.757 -1.583 10.154 441 HE3 LYS 54 HE1 LYS 54 -6.434 -0.580 8.744 442 HZ1 LYS 54 HZ1 LYS 54 -6.245 0.689 10.786 443 HZ2 LYS 54 HZ2 LYS 54 -7.837 0.302 11.209 444 HZ3 LYS 54 HZ3 LYS 54 -7.534 1.267 9.854 445 H SER 55 HN SER 55 -11.624 -5.447 8.934 446 HA SER 55 HA SER 55 -13.536 -6.593 8.472 447 HG SER 55 HG SER 55 -16.549 -5.098 7.440 448 HB2 SER 55 HB2 SER 55 -14.737 -4.482 9.099 449 HB3 SER 55 HB1 SER 55 -14.716 -4.030 7.395 450 H GLY 56 HN GLY 56 -11.426 -6.664 6.661 451 HA2 GLY 56 HA2 GLY 56 -11.131 -7.724 4.623 452 HA3 GLY 56 HA1 GLY 56 -12.854 -7.581 4.333 453 H PHE 57 HN PHE 57 -11.937 -4.526 5.066 454 HA PHE 57 HA PHE 57 -10.767 -3.849 2.499 455 HD1 PHE 57 HD2 PHE 57 -14.481 -5.075 3.236 456 HD2 PHE 57 HD1 PHE 57 -12.371 -3.506 -0.110 457 HE1 PHE 57 HE2 PHE 57 -15.444 -6.834 1.807 458 HE2 PHE 57 HE1 PHE 57 -13.330 -5.259 -1.543 459 HZ PHE 57 HZ PHE 57 -14.869 -6.928 -0.585 460 HB2 PHE 57 HB2 PHE 57 -13.511 -2.832 3.273 461 HB3 PHE 57 HB1 PHE 57 -12.561 -2.239 1.906 462 H ILE 58 HN ILE 58 -9.741 -1.884 2.480 463 HA ILE 58 HA ILE 58 -9.570 -0.548 5.098 464 HB ILE 58 HB ILE 58 -7.570 0.338 3.199 465 HG12 ILE 58 HG12 ILE 58 -7.746 -1.926 2.270 466 HG13 ILE 58 HG11 ILE 58 -6.206 -1.679 3.084 467 HG21 ILE 58 HG21 ILE 58 -6.080 -0.457 5.103 468 HG22 ILE 58 HG22 ILE 58 -7.582 -0.839 5.944 469 HG23 ILE 58 HG23 ILE 58 -7.246 0.818 5.450 470 HD11 ILE 58 HD11 ILE 58 -6.900 -3.814 3.707 471 HD12 ILE 58 HD12 ILE 58 -8.550 -3.285 3.972 472 HD13 ILE 58 HD13 ILE 58 -7.288 -2.798 5.095 473 H GLU 59 HN GLU 59 -9.870 1.563 5.325 474 HA GLU 59 HA GLU 59 -11.201 2.899 3.087 475 HB2 GLU 59 HB2 GLU 59 -11.398 2.970 6.037 476 HB3 GLU 59 HB1 GLU 59 -11.751 4.465 5.167 477 HG2 GLU 59 HG2 GLU 59 -13.478 3.338 3.896 478 HG3 GLU 59 HG1 GLU 59 -13.093 1.811 4.688 479 H GLU 60 HN GLU 60 -10.161 4.361 2.046 480 HA GLU 60 HA GLU 60 -7.637 5.218 2.214 481 HB2 GLU 60 HB2 GLU 60 -8.383 7.299 1.052 482 HB3 GLU 60 HB1 GLU 60 -9.014 5.807 0.357 483 HG2 GLU 60 HG2 GLU 60 -11.141 6.205 1.060 484 HG3 GLU 60 HG1 GLU 60 -10.592 7.148 2.445 485 H ASP 61 HN ASP 61 -10.258 6.418 4.213 486 HA ASP 61 HA ASP 61 -8.881 8.710 5.191 487 HB2 ASP 61 HB2 ASP 61 -11.312 8.564 5.333 488 HB3 ASP 61 HB1 ASP 61 -11.192 7.137 6.362 489 H GLU 62 HN GLU 62 -9.522 5.523 6.642 490 HA GLU 62 HA GLU 62 -7.640 6.039 8.781 491 HB2 GLU 62 HB2 GLU 62 -9.758 4.736 9.106 492 HB3 GLU 62 HB1 GLU 62 -9.072 3.464 8.104 493 HG2 GLU 62 HG2 GLU 62 -8.784 2.851 10.382 494 HG3 GLU 62 HG1 GLU 62 -7.202 3.277 9.730 495 H LEU 63 HN LEU 63 -7.581 4.785 5.628 496 HA LEU 63 HA LEU 63 -5.701 2.818 5.609 497 HG LEU 63 HG LEU 63 -4.475 3.514 2.434 498 HB2 LEU 63 HB2 LEU 63 -7.069 3.958 3.712 499 HB3 LEU 63 HB1 LEU 63 -5.687 5.024 3.584 500 HD11 LEU 63 HD11 LEU 63 -4.002 2.085 4.311 501 HD12 LEU 63 HD12 LEU 63 -4.400 1.093 2.908 502 HD13 LEU 63 HD13 LEU 63 -5.591 1.338 4.183 503 HD21 LEU 63 HD21 LEU 63 -6.481 3.469 1.171 504 HD22 LEU 63 HD22 LEU 63 -7.214 2.294 2.261 505 HD23 LEU 63 HD23 LEU 63 -5.864 1.818 1.234 506 H GLY 64 HN GLY 64 -5.203 6.290 5.602 507 HA2 GLY 64 HA2 GLY 64 -2.415 6.317 5.384 508 HA3 GLY 64 HA1 GLY 64 -3.386 7.582 6.140 509 H SER 65 HN SER 65 -4.453 5.534 8.070 510 HA SER 65 HA SER 65 -2.343 5.824 10.038 511 HG SER 65 HG SER 65 -3.789 3.937 11.984 512 HB2 SER 65 HB2 SER 65 -4.706 6.258 10.645 513 HB3 SER 65 HB1 SER 65 -5.092 4.574 10.287 514 H ILE 66 HN ILE 66 -4.371 3.131 8.904 515 HA ILE 66 HA ILE 66 -2.824 1.067 9.987 516 HB ILE 66 HB ILE 66 -5.133 0.802 9.119 517 HG12 ILE 66 HG12 ILE 66 -4.746 -1.437 8.049 518 HG13 ILE 66 HG11 ILE 66 -3.032 -1.044 8.057 519 HG21 ILE 66 HG21 ILE 66 -3.979 0.543 6.377 520 HG22 ILE 66 HG22 ILE 66 -4.550 2.096 6.983 521 HG23 ILE 66 HG23 ILE 66 -5.664 0.734 6.861 522 HD11 ILE 66 HD11 ILE 66 -3.059 -0.888 10.483 523 HD12 ILE 66 HD12 ILE 66 -3.616 -2.467 9.931 524 HD13 ILE 66 HD13 ILE 66 -4.782 -1.265 10.485 525 H LEU 67 HN LEU 67 -2.212 3.133 7.323 526 HA LEU 67 HA LEU 67 -0.778 1.736 5.494 527 HG LEU 67 HG LEU 67 -0.510 5.086 4.200 528 HB2 LEU 67 HB2 LEU 67 -1.020 4.415 6.336 529 HB3 LEU 67 HB1 LEU 67 0.697 4.097 6.273 530 HD11 LEU 67 HD11 LEU 67 1.051 3.804 2.710 531 HD12 LEU 67 HD12 LEU 67 1.463 2.822 4.117 532 HD13 LEU 67 HD13 LEU 67 1.793 4.553 4.124 533 HD21 LEU 67 HD21 LEU 67 -0.981 2.173 3.626 534 HD22 LEU 67 HD22 LEU 67 -1.446 3.570 2.665 535 HD23 LEU 67 HD23 LEU 67 -2.247 3.256 4.200 536 H LYS 68 HN LYS 68 0.089 2.408 8.777 537 HA LYS 68 HA LYS 68 2.801 2.127 8.816 538 HB2 LYS 68 HB2 LYS 68 0.824 1.056 10.820 539 HB3 LYS 68 HB1 LYS 68 2.536 1.341 11.115 540 HG2 LYS 68 HG2 LYS 68 2.299 3.646 11.043 541 HG3 LYS 68 HG1 LYS 68 0.770 3.560 10.158 542 HD2 LYS 68 HD2 LYS 68 0.401 4.220 12.478 543 HD3 LYS 68 HD1 LYS 68 -0.317 2.642 12.154 544 HE2 LYS 68 HE2 LYS 68 1.614 1.548 13.177 545 HE3 LYS 68 HE1 LYS 68 2.347 3.122 13.485 546 HZ1 LYS 68 HZ1 LYS 68 -0.212 2.143 14.634 547 HZ2 LYS 68 HZ2 LYS 68 0.470 3.664 14.919 548 HZ3 LYS 68 HZ3 LYS 68 1.262 2.270 15.459 549 H GLY 69 HN GLY 69 0.496 -0.361 8.037 550 HA2 GLY 69 HA2 GLY 69 1.715 -2.703 8.745 551 HA3 GLY 69 HA1 GLY 69 0.932 -2.480 7.184 552 H PHE 70 HN PHE 70 2.452 -0.847 5.814 553 HA PHE 70 HA PHE 70 5.009 -2.249 5.571 554 HD1 PHE 70 HD2 PHE 70 1.851 -2.539 4.016 555 HD2 PHE 70 HD1 PHE 70 3.544 1.168 2.774 556 HE1 PHE 70 HE2 PHE 70 -0.382 -1.742 3.367 557 HE2 PHE 70 HE1 PHE 70 1.300 1.975 2.119 558 HZ PHE 70 HZ PHE 70 -0.658 0.513 2.417 559 HB2 PHE 70 HB2 PHE 70 4.950 -0.574 3.417 560 HB3 PHE 70 HB1 PHE 70 4.348 -2.225 3.401 561 H SER 71 HN SER 71 3.546 0.895 5.792 562 HA SER 71 HA SER 71 5.842 2.501 5.848 563 HG SER 71 HG SER 71 4.152 3.775 4.332 564 HB2 SER 71 HB2 SER 71 3.083 3.148 6.869 565 HB3 SER 71 HB1 SER 71 4.356 4.297 6.455 566 H SER 72 HN SER 72 5.088 0.320 8.186 567 HA SER 72 HA SER 72 5.029 1.571 10.603 568 HG SER 72 HG SER 72 7.415 -0.448 11.828 569 HB2 SER 72 HB2 SER 72 5.047 -0.853 10.432 570 HB3 SER 72 HB1 SER 72 6.708 -0.832 9.850 571 H ASP 73 HN ASP 73 7.678 1.560 8.342 572 HA ASP 73 HA ASP 73 9.291 3.122 10.251 573 HB2 ASP 73 HB2 ASP 73 10.374 1.747 7.804 574 HB3 ASP 73 HB1 ASP 73 11.251 2.374 9.197 575 H ALA 74 HN ALA 74 7.150 4.195 8.724 576 HA ALA 74 HA ALA 74 8.596 6.184 7.131 577 HB1 ALA 74 HB1 ALA 74 5.998 5.296 6.021 578 HB2 ALA 74 HB2 ALA 74 7.360 4.196 5.824 579 HB3 ALA 74 HB3 ALA 74 7.458 5.841 5.195 580 H ARG 75 HN ARG 75 6.169 7.451 6.200 581 HA ARG 75 HA ARG 75 5.264 8.600 8.742 582 HE ARG 75 HE ARG 75 5.296 12.553 7.723 583 HB2 ARG 75 HB2 ARG 75 5.224 9.745 5.947 584 HB3 ARG 75 HB1 ARG 75 4.564 10.554 7.364 585 HG2 ARG 75 HG2 ARG 75 6.773 10.601 8.381 586 HG3 ARG 75 HG1 ARG 75 7.441 9.747 6.991 587 HD2 ARG 75 HD2 ARG 75 7.926 12.078 6.740 588 HD3 ARG 75 HD1 ARG 75 6.696 11.634 5.550 589 HH11 ARG 75 HH11 ARG 75 7.764 13.823 5.618 590 HH12 ARG 75 HH12 ARG 75 7.237 15.466 5.776 591 HH21 ARG 75 HH21 ARG 75 4.594 14.715 7.937 592 HH22 ARG 75 HH22 ARG 75 5.434 15.972 7.093 593 H ASP 76 HN ASP 76 3.544 8.849 5.660 594 HA ASP 76 HA ASP 76 1.615 6.895 6.043 595 HB2 ASP 76 HB2 ASP 76 -0.268 8.323 6.933 596 HB3 ASP 76 HB1 ASP 76 0.971 7.902 8.103 597 H LEU 77 HN LEU 77 -0.437 7.320 4.836 598 HA LEU 77 HA LEU 77 0.152 8.759 2.362 599 HG LEU 77 HG LEU 77 -2.967 7.341 3.792 600 HB2 LEU 77 HB2 LEU 77 -1.285 7.338 1.334 601 HB3 LEU 77 HB1 LEU 77 -0.783 6.339 2.682 602 HD11 LEU 77 HD11 LEU 77 -4.714 7.751 2.244 603 HD12 LEU 77 HD12 LEU 77 -3.698 7.277 0.882 604 HD13 LEU 77 HD13 LEU 77 -3.365 8.778 1.750 605 HD21 LEU 77 HD21 LEU 77 -4.156 5.396 2.477 606 HD22 LEU 77 HD22 LEU 77 -2.924 5.081 3.694 607 HD23 LEU 77 HD23 LEU 77 -2.501 5.047 1.983 608 H SER 78 HN SER 78 -0.135 10.900 2.803 609 HA SER 78 HA SER 78 -2.278 11.966 4.312 610 HG SER 78 HG SER 78 -1.347 14.851 4.355 611 HB2 SER 78 HB2 SER 78 -0.155 13.162 4.048 612 HB3 SER 78 HB1 SER 78 -0.455 13.330 2.318 613 H ALA 79 HN ALA 79 -3.321 14.037 2.965 614 HA ALA 79 HA ALA 79 -5.544 13.078 1.687 615 HB1 ALA 79 HB1 ALA 79 -5.917 15.316 0.875 616 HB2 ALA 79 HB2 ALA 79 -4.207 15.709 1.080 617 HB3 ALA 79 HB3 ALA 79 -5.220 15.400 2.494 618 H LYS 80 HN LYS 80 -2.595 14.315 0.153 619 HA LYS 80 HA LYS 80 -3.251 14.036 -2.497 620 HB2 LYS 80 HB2 LYS 80 -0.616 13.570 -1.097 621 HB3 LYS 80 HB1 LYS 80 -0.778 13.595 -2.851 622 HG2 LYS 80 HG2 LYS 80 -1.745 15.909 -2.619 623 HG3 LYS 80 HG1 LYS 80 -1.263 15.850 -0.923 624 HD2 LYS 80 HD2 LYS 80 0.430 16.992 -2.234 625 HD3 LYS 80 HD1 LYS 80 1.069 15.466 -1.622 626 HE2 LYS 80 HE2 LYS 80 1.681 15.881 -3.973 627 HE3 LYS 80 HE1 LYS 80 0.725 14.415 -3.767 628 HZ1 LYS 80 HZ1 LYS 80 -0.013 15.714 -5.671 629 HZ2 LYS 80 HZ2 LYS 80 -0.329 17.041 -4.670 630 HZ3 LYS 80 HZ3 LYS 80 -1.231 15.620 -4.498 631 H GLU 81 HN GLU 81 -1.650 11.568 -0.500 632 HA GLU 81 HA GLU 81 -1.808 9.528 -2.440 633 HB2 GLU 81 HB2 GLU 81 -1.539 9.217 0.544 634 HB3 GLU 81 HB1 GLU 81 -1.035 8.058 -0.651 635 HG2 GLU 81 HG2 GLU 81 0.985 8.976 -0.327 636 HG3 GLU 81 HG1 GLU 81 0.382 10.155 -1.491 637 H THR 82 HN THR 82 -4.035 10.646 0.044 638 HA THR 82 HA THR 82 -5.619 8.334 0.225 639 HB THR 82 HB THR 82 -6.566 11.209 0.340 640 HG1 THR 82 HG1 THR 82 -4.839 10.540 1.849 641 HG21 THR 82 HG21 THR 82 -8.202 9.144 0.150 642 HG22 THR 82 HG22 THR 82 -8.536 10.473 1.263 643 HG23 THR 82 HG23 THR 82 -7.823 8.977 1.865 644 H LYS 83 HN LYS 83 -5.928 11.206 -1.796 645 HA LYS 83 HA LYS 83 -7.887 10.044 -3.530 646 HB2 LYS 83 HB2 LYS 83 -6.260 12.572 -3.845 647 HB3 LYS 83 HB1 LYS 83 -7.651 12.121 -4.821 648 HG2 LYS 83 HG2 LYS 83 -7.622 12.794 -1.890 649 HG3 LYS 83 HG1 LYS 83 -8.356 13.719 -3.201 650 HD2 LYS 83 HD2 LYS 83 -9.188 10.954 -2.319 651 HD3 LYS 83 HD1 LYS 83 -10.030 12.455 -1.928 652 HE2 LYS 83 HE2 LYS 83 -9.562 11.399 -4.715 653 HE3 LYS 83 HE1 LYS 83 -11.066 11.236 -3.808 654 HZ1 LYS 83 HZ1 LYS 83 -9.803 13.803 -4.610 655 HZ2 LYS 83 HZ2 LYS 83 -11.252 13.643 -3.751 656 HZ3 LYS 83 HZ3 LYS 83 -11.153 13.096 -5.348 657 H THR 84 HN THR 84 -4.400 10.351 -3.508 658 HA THR 84 HA THR 84 -4.184 9.696 -6.306 659 HB THR 84 HB THR 84 -2.002 10.155 -4.299 660 HG1 THR 84 HG1 THR 84 -2.586 12.168 -4.611 661 HG21 THR 84 HG21 THR 84 -1.911 9.975 -7.313 662 HG22 THR 84 HG22 THR 84 -1.230 8.806 -6.181 663 HG23 THR 84 HG23 THR 84 -0.563 10.437 -6.273 664 H LEU 85 HN LEU 85 -2.910 8.268 -3.328 665 HA LEU 85 HA LEU 85 -1.994 5.930 -4.683 666 HG LEU 85 HG LEU 85 -0.312 4.887 -1.553 667 HB2 LEU 85 HB2 LEU 85 -1.081 7.020 -2.547 668 HB3 LEU 85 HB1 LEU 85 -2.354 6.141 -1.725 669 HD11 LEU 85 HD11 LEU 85 -1.013 2.785 -2.351 670 HD12 LEU 85 HD12 LEU 85 -1.929 3.504 -3.673 671 HD13 LEU 85 HD13 LEU 85 -2.491 3.687 -2.011 672 HD21 LEU 85 HD21 LEU 85 0.998 4.201 -3.418 673 HD22 LEU 85 HD22 LEU 85 0.738 5.940 -3.561 674 HD23 LEU 85 HD23 LEU 85 -0.193 4.825 -4.559 675 H MET 86 HN MET 86 -4.613 6.483 -2.290 676 HA MET 86 HA MET 86 -5.509 3.780 -2.611 677 HB2 MET 86 HB2 MET 86 -7.305 5.900 -1.515 678 HB3 MET 86 HB1 MET 86 -7.140 4.218 -1.034 679 HG2 MET 86 HG2 MET 86 -5.437 6.555 -0.325 680 HG3 MET 86 HG1 MET 86 -6.186 5.366 0.729 681 HE1 MET 86 HE1 MET 86 -4.291 2.669 -1.538 682 HE2 MET 86 HE2 MET 86 -5.719 2.886 -0.529 683 HE3 MET 86 HE3 MET 86 -4.236 2.240 0.172 684 H ALA 87 HN ALA 87 -6.912 6.879 -3.740 685 HA ALA 87 HA ALA 87 -9.079 5.738 -5.114 686 HB1 ALA 87 HB1 ALA 87 -7.954 8.091 -6.426 687 HB2 ALA 87 HB2 ALA 87 -8.195 8.288 -4.688 688 HB3 ALA 87 HB3 ALA 87 -9.550 7.832 -5.723 689 H ALA 88 HN ALA 88 -5.687 6.068 -6.091 690 HA ALA 88 HA ALA 88 -6.246 5.337 -8.821 691 HB1 ALA 88 HB1 ALA 88 -4.309 6.733 -8.282 692 HB2 ALA 88 HB2 ALA 88 -3.822 5.242 -9.086 693 HB3 ALA 88 HB3 ALA 88 -3.615 5.412 -7.343 694 H GLY 89 HN GLY 89 -4.875 3.743 -5.959 695 HA2 GLY 89 HA2 GLY 89 -4.371 1.251 -7.123 696 HA3 GLY 89 HA1 GLY 89 -4.706 1.519 -5.414 697 H ASP 90 HN ASP 90 -7.265 2.659 -5.792 698 HA ASP 90 HA ASP 90 -8.823 0.250 -6.307 699 HB2 ASP 90 HB2 ASP 90 -10.659 1.393 -5.162 700 HB3 ASP 90 HB1 ASP 90 -9.208 1.397 -4.164 701 H LYS 91 HN LYS 91 -7.726 1.462 -8.521 702 HA LYS 91 HA LYS 91 -8.659 3.366 -10.026 703 HB2 LYS 91 HB2 LYS 91 -7.163 1.455 -10.608 704 HB3 LYS 91 HB1 LYS 91 -8.605 0.515 -10.955 705 HG2 LYS 91 HG2 LYS 91 -7.883 3.070 -12.344 706 HG3 LYS 91 HG1 LYS 91 -7.502 1.446 -12.905 707 HD2 LYS 91 HD2 LYS 91 -10.129 1.186 -12.418 708 HD3 LYS 91 HD1 LYS 91 -10.060 2.880 -12.911 709 HE2 LYS 91 HE2 LYS 91 -9.029 0.519 -14.481 710 HE3 LYS 91 HE1 LYS 91 -10.486 1.448 -14.833 711 HZ1 LYS 91 HZ1 LYS 91 -7.705 2.493 -14.880 712 HZ2 LYS 91 HZ2 LYS 91 -9.097 3.401 -15.194 713 HZ3 LYS 91 HZ3 LYS 91 -8.656 2.142 -16.235 714 H ASP 92 HN ASP 92 -10.632 0.515 -9.306 715 HA ASP 92 HA ASP 92 -12.718 0.967 -11.074 716 HB2 ASP 92 HB2 ASP 92 -12.896 -0.092 -8.244 717 HB3 ASP 92 HB1 ASP 92 -14.158 -0.248 -9.463 718 H GLY 93 HN GLY 93 -11.793 2.816 -8.330 719 HA2 GLY 93 HA2 GLY 93 -12.453 4.973 -7.817 720 HA3 GLY 93 HA1 GLY 93 -13.841 4.779 -8.889 721 H ASP 94 HN ASP 94 -12.712 3.004 -6.008 722 HA ASP 94 HA ASP 94 -15.379 3.459 -4.846 723 HB2 ASP 94 HB2 ASP 94 -13.451 1.176 -4.373 724 HB3 ASP 94 HB1 ASP 94 -14.987 1.389 -3.536 725 H GLY 95 HN GLY 95 -12.109 4.273 -4.532 726 HA2 GLY 95 HA2 GLY 95 -11.114 5.650 -2.954 727 HA3 GLY 95 HA1 GLY 95 -12.625 5.635 -2.077 728 H LYS 96 HN LYS 96 -12.017 2.515 -2.465 729 HA LYS 96 HA LYS 96 -10.296 2.271 -0.108 730 HB2 LYS 96 HB2 LYS 96 -12.726 0.520 -0.451 731 HB3 LYS 96 HB1 LYS 96 -11.793 0.829 0.998 732 HG2 LYS 96 HG2 LYS 96 -12.598 3.203 0.907 733 HG3 LYS 96 HG1 LYS 96 -13.700 2.695 -0.371 734 HD2 LYS 96 HD2 LYS 96 -14.760 1.116 1.132 735 HD3 LYS 96 HD1 LYS 96 -13.610 1.524 2.409 736 HE2 LYS 96 HE2 LYS 96 -14.431 3.878 2.295 737 HE3 LYS 96 HE1 LYS 96 -15.673 3.335 1.165 738 HZ1 LYS 96 HZ1 LYS 96 -15.343 2.382 3.959 739 HZ2 LYS 96 HZ2 LYS 96 -16.521 1.844 2.874 740 HZ3 LYS 96 HZ3 LYS 96 -16.536 3.448 3.410 741 H ILE 97 HN ILE 97 -8.961 0.473 -0.064 742 HA ILE 97 HA ILE 97 -8.881 -1.055 -2.570 743 HB ILE 97 HB ILE 97 -6.710 -0.582 -0.519 744 HG12 ILE 97 HG12 ILE 97 -7.132 0.385 -3.352 745 HG13 ILE 97 HG11 ILE 97 -7.027 1.360 -1.892 746 HG21 ILE 97 HG21 ILE 97 -5.224 -1.767 -2.125 747 HG22 ILE 97 HG22 ILE 97 -6.657 -2.250 -3.033 748 HG23 ILE 97 HG23 ILE 97 -6.432 -2.810 -1.375 749 HD11 ILE 97 HD11 ILE 97 -4.996 1.524 -3.211 750 HD12 ILE 97 HD12 ILE 97 -4.774 -0.226 -3.120 751 HD13 ILE 97 HD13 ILE 97 -4.673 0.757 -1.656 752 H GLY 98 HN GLY 98 -9.836 -2.945 -2.458 753 HA2 GLY 98 HA2 GLY 98 -9.724 -4.490 0.048 754 HA3 GLY 98 HA1 GLY 98 -10.899 -4.718 -1.244 755 H VAL 99 HN VAL 99 -9.771 -6.947 -0.446 756 HA VAL 99 HA VAL 99 -7.314 -7.759 -1.339 757 HB VAL 99 HB VAL 99 -8.875 -9.223 -0.118 758 HG11 VAL 99 HG11 VAL 99 -10.614 -10.444 -1.341 759 HG12 VAL 99 HG12 VAL 99 -10.264 -9.491 -2.783 760 HG13 VAL 99 HG13 VAL 99 -10.915 -8.708 -1.343 761 HG21 VAL 99 HG21 VAL 99 -6.943 -10.214 -1.187 762 HG22 VAL 99 HG22 VAL 99 -7.824 -10.360 -2.706 763 HG23 VAL 99 HG23 VAL 99 -8.318 -11.313 -1.307 764 H GLU 100 HN GLU 100 -10.231 -7.294 -3.254 765 HA GLU 100 HA GLU 100 -9.176 -8.374 -5.658 766 HB2 GLU 100 HB2 GLU 100 -11.139 -7.369 -6.741 767 HB3 GLU 100 HB1 GLU 100 -11.562 -8.284 -5.302 768 HG2 GLU 100 HG2 GLU 100 -11.564 -6.158 -4.047 769 HG3 GLU 100 HG1 GLU 100 -11.395 -5.310 -5.580 770 H GLU 101 HN GLU 101 -9.725 -5.034 -4.575 771 HA GLU 101 HA GLU 101 -8.556 -3.862 -6.880 772 HB2 GLU 101 HB2 GLU 101 -9.809 -3.002 -4.387 773 HB3 GLU 101 HB1 GLU 101 -8.539 -1.919 -4.936 774 HG2 GLU 101 HG2 GLU 101 -10.736 -1.251 -5.753 775 HG3 GLU 101 HG1 GLU 101 -9.646 -1.666 -7.074 776 H PHE 102 HN PHE 102 -7.309 -5.041 -3.879 777 HA PHE 102 HA PHE 102 -5.008 -3.547 -3.535 778 HD1 PHE 102 HD2 PHE 102 -4.925 -3.871 -0.630 779 HD2 PHE 102 HD1 PHE 102 -2.635 -6.575 -2.955 780 HE1 PHE 102 HE2 PHE 102 -2.967 -3.420 0.793 781 HE2 PHE 102 HE1 PHE 102 -0.661 -6.139 -1.545 782 HZ PHE 102 HZ PHE 102 -0.829 -4.556 0.335 783 HB2 PHE 102 HB2 PHE 102 -5.960 -5.528 -2.140 784 HB3 PHE 102 HB1 PHE 102 -4.960 -6.527 -3.181 785 H SER 103 HN SER 103 -5.738 -6.024 -5.875 786 HA SER 103 HA SER 103 -3.035 -6.269 -6.830 787 HG SER 103 HG SER 103 -3.014 -7.436 -8.874 788 HB2 SER 103 HB2 SER 103 -4.543 -8.172 -7.027 789 HB3 SER 103 HB1 SER 103 -5.661 -7.218 -8.000 790 H THR 104 HN THR 104 -5.889 -4.421 -7.659 791 HA THR 104 HA THR 104 -5.161 -3.571 -10.218 792 HB THR 104 HB THR 104 -6.721 -1.953 -8.194 793 HG1 THR 104 HG1 THR 104 -7.764 -3.715 -10.171 794 HG21 THR 104 HG21 THR 104 -7.824 -1.121 -10.342 795 HG22 THR 104 HG22 THR 104 -6.459 -1.845 -11.193 796 HG23 THR 104 HG23 THR 104 -6.182 -0.556 -10.024 797 H LEU 105 HN LEU 105 -4.448 -2.094 -7.041 798 HA LEU 105 HA LEU 105 -3.147 0.152 -8.083 799 HG LEU 105 HG LEU 105 -1.927 -0.420 -4.149 800 HB2 LEU 105 HB2 LEU 105 -2.953 0.779 -5.987 801 HB3 LEU 105 HB1 LEU 105 -3.798 -0.684 -5.573 802 HD11 LEU 105 HD11 LEU 105 -0.525 -2.398 -5.629 803 HD12 LEU 105 HD12 LEU 105 -2.261 -2.628 -5.844 804 HD13 LEU 105 HD13 LEU 105 -1.576 -2.595 -4.222 805 HD21 LEU 105 HD21 LEU 105 -0.036 0.565 -4.776 806 HD22 LEU 105 HD22 LEU 105 -0.803 0.827 -6.344 807 HD23 LEU 105 HD23 LEU 105 0.208 -0.598 -6.081 808 H VAL 106 HN VAL 106 -2.108 -3.117 -7.852 809 HA VAL 106 HA VAL 106 0.685 -2.697 -7.857 810 HB VAL 106 HB VAL 106 -0.818 -5.004 -9.109 811 HG11 VAL 106 HG11 VAL 106 2.024 -4.792 -8.120 812 HG12 VAL 106 HG12 VAL 106 1.515 -4.873 -9.806 813 HG13 VAL 106 HG13 VAL 106 1.255 -6.253 -8.740 814 HG21 VAL 106 HG21 VAL 106 -0.482 -6.154 -6.975 815 HG22 VAL 106 HG22 VAL 106 -1.461 -4.702 -6.775 816 HG23 VAL 106 HG23 VAL 106 0.236 -4.692 -6.300 817 H ALA 107 HN ALA 107 -1.745 -2.812 -10.370 818 HA ALA 107 HA ALA 107 0.155 -2.621 -12.526 819 HB1 ALA 107 HB1 ALA 107 -1.833 -2.434 -13.952 820 HB2 ALA 107 HB2 ALA 107 -2.848 -2.335 -12.513 821 HB3 ALA 107 HB3 ALA 107 -1.941 -3.808 -12.851 822 H GLU 108 HN GLU 108 -1.721 -0.447 -10.556 823 HA GLU 108 HA GLU 108 -1.692 1.822 -12.215 824 HB2 GLU 108 HB2 GLU 108 -1.806 1.547 -9.217 825 HB3 GLU 108 HB1 GLU 108 -1.928 3.094 -10.045 826 HG2 GLU 108 HG2 GLU 108 -3.739 0.886 -10.847 827 HG3 GLU 108 HG1 GLU 108 -4.081 1.785 -9.369 828 H SER 109 HN SER 109 0.246 1.277 -9.300 829 HA SER 109 HA SER 109 2.035 3.345 -9.672 830 HG SER 109 HG SER 109 1.910 0.344 -7.051 831 HB2 SER 109 HB2 SER 109 3.410 1.363 -8.294 832 HB3 SER 109 HB1 SER 109 2.413 2.625 -7.586 Start of MODEL 11 1 HA SER 1 HA SER 1 4.535 -11.677 7.435 2 HG SER 1 HG SER 1 4.561 -11.181 10.359 3 H1 SER 1 HT1 SER 1 5.884 -13.459 8.328 4 H2 SER 1 HT2 SER 1 7.278 -12.771 7.661 5 H3 SER 1 HT3 SER 1 6.054 -13.352 6.647 6 HB2 SER 1 HB2 SER 1 6.905 -10.721 9.063 7 HB3 SER 1 HB1 SER 1 5.360 -9.886 8.918 8 H MET 2 HN MET 2 4.906 -11.559 5.133 9 HA MET 2 HA MET 2 5.441 -10.442 3.226 10 HB2 MET 2 HB2 MET 2 6.228 -8.269 5.170 11 HB3 MET 2 HB1 MET 2 6.056 -8.052 3.441 12 HG2 MET 2 HG2 MET 2 3.747 -8.300 3.508 13 HG3 MET 2 HG1 MET 2 3.790 -9.060 5.105 14 HE1 MET 2 HE1 MET 2 6.005 -6.873 6.487 15 HE2 MET 2 HE2 MET 2 4.698 -7.790 7.237 16 HE3 MET 2 HE3 MET 2 4.752 -6.037 7.405 17 H THR 3 HN THR 3 7.564 -11.929 4.922 18 HA THR 3 HA THR 3 10.026 -10.657 4.088 19 HB THR 3 HB THR 3 11.148 -12.589 5.114 20 HG1 THR 3 HG1 THR 3 10.056 -14.385 5.297 21 HG21 THR 3 HG21 THR 3 10.428 -12.219 7.421 22 HG22 THR 3 HG22 THR 3 8.937 -11.472 6.845 23 HG23 THR 3 HG23 THR 3 10.490 -10.696 6.533 24 H ASP 4 HN ASP 4 8.231 -13.619 3.310 25 HA ASP 4 HA ASP 4 10.032 -14.204 1.103 26 HB2 ASP 4 HB2 ASP 4 7.560 -15.650 2.083 27 HB3 ASP 4 HB1 ASP 4 8.630 -16.224 0.808 28 H LEU 5 HN LEU 5 6.801 -13.016 1.696 29 HA LEU 5 HA LEU 5 5.955 -13.090 -1.036 30 HG LEU 5 HG LEU 5 4.951 -14.142 1.338 31 HB2 LEU 5 HB2 LEU 5 4.830 -11.397 1.192 32 HB3 LEU 5 HB1 LEU 5 4.016 -11.896 -0.279 33 HD11 LEU 5 HD11 LEU 5 4.483 -12.797 3.221 34 HD12 LEU 5 HD12 LEU 5 3.073 -13.825 2.989 35 HD13 LEU 5 HD13 LEU 5 3.025 -12.141 2.481 36 HD21 LEU 5 HD21 LEU 5 3.466 -14.414 -0.558 37 HD22 LEU 5 HD22 LEU 5 2.282 -13.340 0.186 38 HD23 LEU 5 HD23 LEU 5 2.646 -14.899 0.927 39 H LEU 6 HN LEU 6 6.748 -10.404 1.168 40 HA LEU 6 HA LEU 6 7.295 -8.704 -1.164 41 HG LEU 6 HG LEU 6 4.769 -8.444 0.934 42 HB2 LEU 6 HB2 LEU 6 6.952 -7.989 1.748 43 HB3 LEU 6 HB1 LEU 6 7.266 -6.838 0.466 44 HD11 LEU 6 HD11 LEU 6 3.813 -6.096 0.746 45 HD12 LEU 6 HD12 LEU 6 5.475 -5.547 0.933 46 HD13 LEU 6 HD13 LEU 6 4.717 -6.499 2.204 47 HD21 LEU 6 HD21 LEU 6 5.046 -8.620 -1.397 48 HD22 LEU 6 HD22 LEU 6 5.669 -6.975 -1.527 49 HD23 LEU 6 HD23 LEU 6 3.963 -7.246 -1.163 50 H SER 7 HN SER 7 9.198 -7.318 -1.102 51 HA SER 7 HA SER 7 11.497 -8.769 -0.135 52 HG SER 7 HG SER 7 10.955 -6.363 -3.119 53 HB2 SER 7 HB2 SER 7 12.589 -6.551 -1.185 54 HB3 SER 7 HB1 SER 7 12.061 -7.909 -2.179 55 H ALA 8 HN ALA 8 12.048 -8.553 1.946 56 HA ALA 8 HA ALA 8 11.208 -6.493 3.649 57 HB1 ALA 8 HB1 ALA 8 13.566 -8.343 3.984 58 HB2 ALA 8 HB2 ALA 8 11.903 -8.689 4.458 59 HB3 ALA 8 HB3 ALA 8 12.801 -7.399 5.261 60 H GLU 9 HN GLU 9 14.274 -6.964 1.947 61 HA GLU 9 HA GLU 9 15.618 -4.743 3.021 62 HB2 GLU 9 HB2 GLU 9 16.893 -6.416 1.896 63 HB3 GLU 9 HB1 GLU 9 15.933 -6.259 0.432 64 HG2 GLU 9 HG2 GLU 9 18.089 -5.240 0.118 65 HG3 GLU 9 HG1 GLU 9 16.826 -4.004 0.100 66 H ASP 10 HN ASP 10 13.336 -5.090 0.421 67 HA ASP 10 HA ASP 10 13.769 -2.530 -0.760 68 HB2 ASP 10 HB2 ASP 10 11.797 -4.730 -1.031 69 HB3 ASP 10 HB1 ASP 10 11.370 -3.158 -1.694 70 H ILE 11 HN ILE 11 11.195 -3.836 1.339 71 HA ILE 11 HA ILE 11 9.654 -1.512 1.540 72 HB ILE 11 HB ILE 11 10.090 -3.545 3.728 73 HG12 ILE 11 HG12 ILE 11 7.903 -3.568 1.661 74 HG13 ILE 11 HG11 ILE 11 9.386 -4.493 1.483 75 HG21 ILE 11 HG21 ILE 11 7.935 -2.861 4.560 76 HG22 ILE 11 HG22 ILE 11 7.735 -1.744 3.210 77 HG23 ILE 11 HG23 ILE 11 8.986 -1.450 4.419 78 HD11 ILE 11 HD11 ILE 11 7.314 -4.784 3.641 79 HD12 ILE 11 HD12 ILE 11 8.852 -5.648 3.603 80 HD13 ILE 11 HD13 ILE 11 7.660 -5.915 2.331 81 H LYS 12 HN LYS 12 12.513 -2.523 3.356 82 HA LYS 12 HA LYS 12 12.413 -0.417 5.250 83 HB2 LYS 12 HB2 LYS 12 14.572 -2.294 4.331 84 HB3 LYS 12 HB1 LYS 12 14.924 -1.001 5.469 85 HG2 LYS 12 HG2 LYS 12 13.754 -1.972 7.157 86 HG3 LYS 12 HG1 LYS 12 12.616 -2.757 6.062 87 HD2 LYS 12 HD2 LYS 12 14.014 -4.422 7.127 88 HD3 LYS 12 HD1 LYS 12 14.391 -4.342 5.405 89 HE2 LYS 12 HE2 LYS 12 15.964 -2.789 7.435 90 HE3 LYS 12 HE1 LYS 12 16.342 -4.470 7.067 91 HZ1 LYS 12 HZ1 LYS 12 16.413 -3.676 4.655 92 HZ2 LYS 12 HZ2 LYS 12 17.707 -3.258 5.659 93 HZ3 LYS 12 HZ3 LYS 12 16.519 -2.114 5.297 94 H LYS 13 HN LYS 13 14.350 -0.862 2.294 95 HA LYS 13 HA LYS 13 15.592 1.679 2.365 96 HB2 LYS 13 HB2 LYS 13 15.016 -0.079 -0.028 97 HB3 LYS 13 HB1 LYS 13 16.184 1.233 0.032 98 HG2 LYS 13 HG2 LYS 13 17.659 0.041 1.354 99 HG3 LYS 13 HG1 LYS 13 16.409 -1.066 1.923 100 HD2 LYS 13 HD2 LYS 13 17.995 -2.084 0.291 101 HD3 LYS 13 HD1 LYS 13 16.306 -2.149 -0.223 102 HE2 LYS 13 HE2 LYS 13 16.664 -0.213 -1.659 103 HE3 LYS 13 HE1 LYS 13 18.340 -0.107 -1.120 104 HZ1 LYS 13 HZ1 LYS 13 18.784 -2.244 -2.108 105 HZ2 LYS 13 HZ2 LYS 13 18.114 -1.222 -3.274 106 HZ3 LYS 13 HZ3 LYS 13 17.163 -2.424 -2.560 107 H ALA 14 HN ALA 14 12.845 0.426 0.549 108 HA ALA 14 HA ALA 14 12.201 2.728 -0.878 109 HB1 ALA 14 HB1 ALA 14 10.308 0.571 0.029 110 HB2 ALA 14 HB2 ALA 14 11.395 0.438 -1.350 111 HB3 ALA 14 HB3 ALA 14 10.111 1.650 -1.352 112 H ILE 15 HN ILE 15 10.947 1.586 2.260 113 HA ILE 15 HA ILE 15 9.091 3.692 2.534 114 HB ILE 15 HB ILE 15 10.191 1.746 4.517 115 HG12 ILE 15 HG12 ILE 15 7.643 2.248 3.025 116 HG13 ILE 15 HG11 ILE 15 8.748 0.903 2.810 117 HG21 ILE 15 HG21 ILE 15 7.897 3.628 5.054 118 HG22 ILE 15 HG22 ILE 15 9.532 4.007 5.575 119 HG23 ILE 15 HG23 ILE 15 8.730 2.567 6.189 120 HD11 ILE 15 HD11 ILE 15 7.086 -0.093 4.013 121 HD12 ILE 15 HD12 ILE 15 6.687 1.407 4.844 122 HD13 ILE 15 HD13 ILE 15 8.105 0.480 5.341 123 H GLY 16 HN GLY 16 12.457 3.296 3.514 124 HA2 GLY 16 HA2 GLY 16 12.427 5.812 4.994 125 HA3 GLY 16 HA1 GLY 16 13.765 4.681 4.896 126 H ALA 17 HN ALA 17 13.203 4.737 1.831 127 HA ALA 17 HA ALA 17 15.191 6.731 1.278 128 HB1 ALA 17 HB1 ALA 17 14.960 6.016 -1.054 129 HB2 ALA 17 HB2 ALA 17 13.564 5.034 -0.611 130 HB3 ALA 17 HB3 ALA 17 15.158 4.641 0.032 131 H PHE 18 HN PHE 18 11.734 6.556 1.157 132 HA PHE 18 HA PHE 18 11.590 9.139 -0.237 133 HD1 PHE 18 HD2 PHE 18 12.011 8.301 -1.949 134 HD2 PHE 18 HD1 PHE 18 8.587 5.807 -1.533 135 HE1 PHE 18 HE2 PHE 18 12.582 7.173 -4.058 136 HE2 PHE 18 HE1 PHE 18 9.151 4.676 -3.641 137 HZ PHE 18 HZ PHE 18 11.151 5.360 -4.909 138 HB2 PHE 18 HB2 PHE 18 9.431 7.098 0.335 139 HB3 PHE 18 HB1 PHE 18 9.201 8.604 -0.538 140 H THR 19 HN THR 19 12.350 10.171 1.766 141 HA THR 19 HA THR 19 10.479 10.158 3.994 142 HB THR 19 HB THR 19 12.140 11.458 5.200 143 HG1 THR 19 HG1 THR 19 13.411 12.663 4.013 144 HG21 THR 19 HG21 THR 19 13.427 9.171 3.701 145 HG22 THR 19 HG22 THR 19 12.370 8.999 5.104 146 HG23 THR 19 HG23 THR 19 13.927 9.810 5.268 147 H ALA 20 HN ALA 20 11.682 12.463 1.559 148 HA ALA 20 HA ALA 20 10.077 14.563 2.801 149 HB1 ALA 20 HB1 ALA 20 12.408 15.026 2.180 150 HB2 ALA 20 HB2 ALA 20 11.254 16.116 1.412 151 HB3 ALA 20 HB3 ALA 20 11.974 14.798 0.485 152 H ALA 21 HN ALA 21 10.521 13.485 -0.606 153 HA ALA 21 HA ALA 21 7.928 14.700 -1.194 154 HB1 ALA 21 HB1 ALA 21 9.829 15.293 -2.608 155 HB2 ALA 21 HB2 ALA 21 8.535 14.522 -3.526 156 HB3 ALA 21 HB3 ALA 21 9.979 13.605 -3.098 157 H ASP 22 HN ASP 22 9.503 11.757 -2.376 158 HA ASP 22 HA ASP 22 7.176 10.504 -3.236 159 HB2 ASP 22 HB2 ASP 22 9.826 9.381 -2.344 160 HB3 ASP 22 HB1 ASP 22 8.546 8.368 -3.007 161 H SER 23 HN SER 23 8.352 10.926 -0.039 162 HA SER 23 HA SER 23 7.480 8.818 1.411 163 HG SER 23 HG SER 23 7.520 9.533 3.853 164 HB2 SER 23 HB2 SER 23 8.509 10.851 2.369 165 HB3 SER 23 HB1 SER 23 6.988 11.712 2.132 166 H PHE 24 HN PHE 24 5.452 11.223 -0.150 167 HA PHE 24 HA PHE 24 3.069 9.994 0.998 168 HD1 PHE 24 HD1 PHE 24 2.407 11.915 -2.584 169 HD2 PHE 24 HD2 PHE 24 4.717 13.890 0.393 170 HE1 PHE 24 HE1 PHE 24 3.362 13.387 -4.308 171 HE2 PHE 24 HE2 PHE 24 5.682 15.365 -1.326 172 HZ PHE 24 HZ PHE 24 5.002 15.114 -3.680 173 HB2 PHE 24 HB2 PHE 24 1.839 11.853 -0.114 174 HB3 PHE 24 HB1 PHE 24 3.052 12.397 1.033 175 H ASP 25 HN ASP 25 4.578 10.566 -2.165 176 HA ASP 25 HA ASP 25 2.550 9.297 -3.684 177 HB2 ASP 25 HB2 ASP 25 5.480 9.770 -4.271 178 HB3 ASP 25 HB1 ASP 25 4.350 9.098 -5.442 179 H HIS 26 HN HIS 26 2.092 7.388 -2.457 180 HA HIS 26 HA HIS 26 4.076 5.420 -1.967 181 HD1 HIS 26 HD1 HIS 26 3.610 4.682 0.780 182 HD2 HIS 26 HD2 HIS 26 0.407 7.141 -0.202 183 HE1 HIS 26 HE1 HIS 26 3.178 6.074 2.829 184 HE2 HIS 26 HE2 HIS 26 1.170 7.480 2.245 185 HB2 HIS 26 HB2 HIS 26 1.070 5.169 -1.975 186 HB3 HIS 26 HB1 HIS 26 2.182 3.953 -1.365 187 H LYS 27 HN LYS 27 2.103 6.122 -4.748 188 HA LYS 27 HA LYS 27 1.829 3.731 -6.000 189 HB2 LYS 27 HB2 LYS 27 2.387 6.478 -7.032 190 HB3 LYS 27 HB1 LYS 27 2.315 5.135 -8.139 191 HG2 LYS 27 HG2 LYS 27 0.068 5.315 -6.269 192 HG3 LYS 27 HG1 LYS 27 0.200 6.640 -7.431 193 HD2 LYS 27 HD2 LYS 27 0.421 3.784 -8.269 194 HD3 LYS 27 HD1 LYS 27 -1.154 4.569 -8.117 195 HE2 LYS 27 HE2 LYS 27 1.127 5.535 -9.845 196 HE3 LYS 27 HE1 LYS 27 -0.259 4.615 -10.425 197 HZ1 LYS 27 HZ1 LYS 27 -0.555 6.973 -10.811 198 HZ2 LYS 27 HZ2 LYS 27 -0.367 7.302 -9.164 199 HZ3 LYS 27 HZ3 LYS 27 -1.705 6.418 -9.700 200 H LYS 28 HN LYS 28 4.637 5.895 -6.503 201 HA LYS 28 HA LYS 28 6.182 4.031 -7.918 202 HB2 LYS 28 HB2 LYS 28 6.745 6.412 -7.878 203 HB3 LYS 28 HB1 LYS 28 7.049 6.326 -6.147 204 HG2 LYS 28 HG2 LYS 28 9.183 6.235 -6.930 205 HG3 LYS 28 HG1 LYS 28 8.806 4.513 -6.876 206 HD2 LYS 28 HD2 LYS 28 8.650 6.298 -9.305 207 HD3 LYS 28 HD1 LYS 28 9.902 5.101 -8.972 208 HE2 LYS 28 HE2 LYS 28 8.043 3.380 -8.904 209 HE3 LYS 28 HE1 LYS 28 6.993 4.631 -9.568 210 HZ1 LYS 28 HZ1 LYS 28 8.470 4.811 -11.471 211 HZ2 LYS 28 HZ2 LYS 28 7.894 3.229 -11.309 212 HZ3 LYS 28 HZ3 LYS 28 9.473 3.604 -10.836 213 H PHE 29 HN PHE 29 6.048 4.835 -4.489 214 HA PHE 29 HA PHE 29 8.007 3.133 -3.536 215 HD1 PHE 29 HD2 PHE 29 8.685 2.973 -0.950 216 HD2 PHE 29 HD1 PHE 29 4.454 2.544 -0.887 217 HE1 PHE 29 HE2 PHE 29 8.870 1.438 0.960 218 HE2 PHE 29 HE1 PHE 29 4.638 1.014 1.028 219 HZ PHE 29 HZ PHE 29 6.841 0.452 1.947 220 HB2 PHE 29 HB2 PHE 29 7.029 4.665 -2.010 221 HB3 PHE 29 HB1 PHE 29 5.408 4.061 -2.329 222 H PHE 30 HN PHE 30 4.676 2.441 -4.465 223 HA PHE 30 HA PHE 30 4.379 -0.139 -3.507 224 HD1 PHE 30 HD2 PHE 30 1.529 1.315 -3.319 225 HD2 PHE 30 HD1 PHE 30 2.478 -2.055 -5.736 226 HE1 PHE 30 HE2 PHE 30 -0.315 0.058 -2.282 227 HE2 PHE 30 HE1 PHE 30 0.642 -3.316 -4.703 228 HZ PHE 30 HZ PHE 30 -0.762 -2.263 -2.975 229 HB2 PHE 30 HB2 PHE 30 2.981 1.524 -5.246 230 HB3 PHE 30 HB1 PHE 30 3.387 0.123 -6.230 231 H GLN 31 HN GLN 31 6.241 1.073 -6.165 232 HA GLN 31 HA GLN 31 6.877 -1.523 -7.261 233 HB2 GLN 31 HB2 GLN 31 8.250 1.034 -7.972 234 HB3 GLN 31 HB1 GLN 31 7.923 -0.354 -8.993 235 HG2 GLN 31 HG2 GLN 31 5.472 0.258 -8.735 236 HG3 GLN 31 HG1 GLN 31 6.038 1.781 -8.058 237 HE21 GLN 31 HE21 GLN 31 5.165 2.984 -9.731 238 HE22 GLN 31 HE22 GLN 31 5.847 2.993 -11.319 239 H MET 32 HN MET 32 8.542 1.010 -5.432 240 HA MET 32 HA MET 32 11.060 -0.322 -5.373 241 HB2 MET 32 HB2 MET 32 10.298 1.659 -3.291 242 HB3 MET 32 HB1 MET 32 11.829 1.447 -4.128 243 HG2 MET 32 HG2 MET 32 9.332 2.775 -5.095 244 HG3 MET 32 HG1 MET 32 10.953 3.437 -4.924 245 HE1 MET 32 HE1 MET 32 12.713 1.080 -6.175 246 HE2 MET 32 HE2 MET 32 13.001 2.787 -6.508 247 HE3 MET 32 HE3 MET 32 12.870 1.640 -7.840 248 H VAL 33 HN VAL 33 8.276 -0.236 -3.281 249 HA VAL 33 HA VAL 33 9.422 -1.393 -0.979 250 HB VAL 33 HB VAL 33 7.328 -0.134 -0.936 251 HG11 VAL 33 HG11 VAL 33 5.811 -2.443 -2.021 252 HG12 VAL 33 HG12 VAL 33 6.597 -1.344 -3.155 253 HG13 VAL 33 HG13 VAL 33 5.413 -0.725 -2.006 254 HG21 VAL 33 HG21 VAL 33 7.125 -2.987 -0.013 255 HG22 VAL 33 HG22 VAL 33 6.016 -1.706 0.465 256 HG23 VAL 33 HG23 VAL 33 7.718 -1.603 0.906 257 H GLY 34 HN GLY 34 8.282 -2.736 -3.928 258 HA2 GLY 34 HA2 GLY 34 8.856 -4.926 -4.626 259 HA3 GLY 34 HA1 GLY 34 8.992 -5.396 -2.940 260 H LEU 35 HN LEU 35 6.172 -3.595 -3.534 261 HA LEU 35 HA LEU 35 4.483 -5.762 -2.882 262 HG LEU 35 HG LEU 35 4.033 -3.937 -1.326 263 HB2 LEU 35 HB2 LEU 35 4.083 -2.961 -3.795 264 HB3 LEU 35 HB1 LEU 35 2.745 -4.066 -4.014 265 HD11 LEU 35 HD11 LEU 35 2.333 -1.799 -2.560 266 HD12 LEU 35 HD12 LEU 35 3.784 -1.638 -1.571 267 HD13 LEU 35 HD13 LEU 35 2.263 -2.127 -0.829 268 HD21 LEU 35 HD21 LEU 35 2.378 -5.546 -1.450 269 HD22 LEU 35 HD22 LEU 35 1.356 -4.552 -2.485 270 HD23 LEU 35 HD23 LEU 35 1.523 -4.157 -0.774 271 H LYS 36 HN LYS 36 5.612 -4.354 -5.854 272 HA LYS 36 HA LYS 36 3.966 -6.082 -7.500 273 HB2 LYS 36 HB2 LYS 36 6.122 -4.080 -8.148 274 HB3 LYS 36 HB1 LYS 36 5.294 -5.034 -9.369 275 HG2 LYS 36 HG2 LYS 36 3.433 -3.775 -9.275 276 HG3 LYS 36 HG1 LYS 36 3.545 -3.572 -7.523 277 HD2 LYS 36 HD2 LYS 36 3.875 -1.446 -8.912 278 HD3 LYS 36 HD1 LYS 36 5.126 -1.821 -7.740 279 HE2 LYS 36 HE2 LYS 36 6.006 -1.102 -9.927 280 HE3 LYS 36 HE1 LYS 36 6.554 -2.704 -9.461 281 HZ1 LYS 36 HZ1 LYS 36 4.333 -2.122 -11.346 282 HZ2 LYS 36 HZ2 LYS 36 4.885 -3.661 -10.911 283 HZ3 LYS 36 HZ3 LYS 36 5.889 -2.619 -11.786 284 H LYS 37 HN LYS 37 6.417 -6.844 -5.602 285 HA LYS 37 HA LYS 37 8.523 -7.841 -7.027 286 HB2 LYS 37 HB2 LYS 37 8.488 -7.819 -4.605 287 HB3 LYS 37 HB1 LYS 37 7.160 -8.969 -4.584 288 HG2 LYS 37 HG2 LYS 37 8.603 -10.683 -5.522 289 HG3 LYS 37 HG1 LYS 37 9.928 -9.526 -5.624 290 HD2 LYS 37 HD2 LYS 37 9.802 -9.251 -3.155 291 HD3 LYS 37 HD1 LYS 37 8.593 -10.537 -3.117 292 HE2 LYS 37 HE2 LYS 37 10.241 -12.054 -4.174 293 HE3 LYS 37 HE1 LYS 37 11.444 -10.770 -4.072 294 HZ1 LYS 37 HZ1 LYS 37 11.688 -12.280 -2.233 295 HZ2 LYS 37 HZ2 LYS 37 10.071 -12.068 -1.783 296 HZ3 LYS 37 HZ3 LYS 37 11.158 -10.780 -1.653 297 H LYS 38 HN LYS 38 5.882 -9.949 -5.869 298 HA LYS 38 HA LYS 38 6.403 -11.692 -8.166 299 HB2 LYS 38 HB2 LYS 38 4.951 -12.233 -5.577 300 HB3 LYS 38 HB1 LYS 38 5.124 -13.397 -6.882 301 HG2 LYS 38 HG2 LYS 38 7.542 -13.355 -6.602 302 HG3 LYS 38 HG1 LYS 38 7.374 -12.158 -5.314 303 HD2 LYS 38 HD2 LYS 38 5.722 -13.998 -4.350 304 HD3 LYS 38 HD1 LYS 38 6.762 -15.060 -5.306 305 HE2 LYS 38 HE2 LYS 38 8.730 -14.169 -4.154 306 HE3 LYS 38 HE1 LYS 38 7.690 -13.112 -3.195 307 HZ1 LYS 38 HZ1 LYS 38 7.583 -16.082 -3.183 308 HZ2 LYS 38 HZ2 LYS 38 6.655 -15.045 -2.220 309 HZ3 LYS 38 HZ3 LYS 38 8.330 -15.132 -1.998 310 H SER 39 HN SER 39 3.367 -11.602 -6.367 311 HA SER 39 HA SER 39 2.000 -10.390 -8.636 312 HG SER 39 HG SER 39 2.123 -13.884 -9.434 313 HB2 SER 39 HB2 SER 39 1.306 -13.146 -7.590 314 HB3 SER 39 HB1 SER 39 0.373 -12.241 -8.783 315 H ALA 40 HN ALA 40 -0.541 -10.574 -8.056 316 HA ALA 40 HA ALA 40 -1.011 -8.815 -5.980 317 HB1 ALA 40 HB1 ALA 40 -3.099 -10.771 -6.850 318 HB2 ALA 40 HB2 ALA 40 -2.493 -9.538 -7.958 319 HB3 ALA 40 HB3 ALA 40 -3.266 -9.062 -6.445 320 H ASP 41 HN ASP 41 -0.454 -12.206 -5.795 321 HA ASP 41 HA ASP 41 -1.898 -12.818 -3.459 322 HB2 ASP 41 HB2 ASP 41 0.669 -14.065 -4.466 323 HB3 ASP 41 HB1 ASP 41 -0.431 -14.776 -3.290 324 H ASP 42 HN ASP 42 1.469 -11.766 -3.917 325 HA ASP 42 HA ASP 42 2.208 -11.862 -1.196 326 HB2 ASP 42 HB2 ASP 42 3.316 -10.068 -3.365 327 HB3 ASP 42 HB1 ASP 42 4.116 -10.492 -1.855 328 H VAL 43 HN VAL 43 1.228 -9.104 -3.223 329 HA VAL 43 HA VAL 43 1.281 -7.137 -1.265 330 HB VAL 43 HB VAL 43 -0.275 -5.868 -2.663 331 HG11 VAL 43 HG11 VAL 43 1.518 -7.359 -4.547 332 HG12 VAL 43 HG12 VAL 43 2.184 -6.309 -3.297 333 HG13 VAL 43 HG13 VAL 43 1.110 -5.645 -4.529 334 HG21 VAL 43 HG21 VAL 43 -0.621 -8.470 -4.133 335 HG22 VAL 43 HG22 VAL 43 -1.200 -6.911 -4.712 336 HG23 VAL 43 HG23 VAL 43 -1.855 -7.601 -3.226 337 H LYS 44 HN LYS 44 -1.182 -9.510 -2.051 338 HA LYS 44 HA LYS 44 -3.256 -8.469 -0.478 339 HB2 LYS 44 HB2 LYS 44 -2.630 -11.180 -1.571 340 HB3 LYS 44 HB1 LYS 44 -3.943 -10.994 -0.415 341 HG2 LYS 44 HG2 LYS 44 -5.086 -9.468 -1.853 342 HG3 LYS 44 HG1 LYS 44 -3.714 -9.411 -2.959 343 HD2 LYS 44 HD2 LYS 44 -4.050 -11.897 -3.297 344 HD3 LYS 44 HD1 LYS 44 -5.569 -11.724 -2.418 345 HE2 LYS 44 HE2 LYS 44 -6.352 -10.112 -4.071 346 HE3 LYS 44 HE1 LYS 44 -4.821 -10.242 -4.936 347 HZ1 LYS 44 HZ1 LYS 44 -6.490 -11.596 -5.992 348 HZ2 LYS 44 HZ2 LYS 44 -6.804 -12.418 -4.547 349 HZ3 LYS 44 HZ3 LYS 44 -5.306 -12.598 -5.315 350 H LYS 45 HN LYS 45 -0.460 -10.429 0.324 351 HA LYS 45 HA LYS 45 -1.353 -11.231 2.902 352 HB2 LYS 45 HB2 LYS 45 1.159 -11.355 1.360 353 HB3 LYS 45 HB1 LYS 45 1.363 -11.287 3.105 354 HG2 LYS 45 HG2 LYS 45 1.299 -13.586 2.221 355 HG3 LYS 45 HG1 LYS 45 0.022 -13.261 3.393 356 HD2 LYS 45 HD2 LYS 45 -1.552 -12.889 1.531 357 HD3 LYS 45 HD1 LYS 45 -0.268 -13.289 0.390 358 HE2 LYS 45 HE2 LYS 45 -0.092 -15.522 1.375 359 HE3 LYS 45 HE1 LYS 45 -1.373 -15.120 2.517 360 HZ1 LYS 45 HZ1 LYS 45 -2.893 -14.843 0.664 361 HZ2 LYS 45 HZ2 LYS 45 -2.214 -16.392 0.641 362 HZ3 LYS 45 HZ3 LYS 45 -1.664 -15.212 -0.438 363 H VAL 46 HN VAL 46 1.050 -8.795 1.878 364 HA VAL 46 HA VAL 46 1.502 -7.612 4.327 365 HB VAL 46 HB VAL 46 2.833 -7.017 2.398 366 HG11 VAL 46 HG11 VAL 46 1.942 -5.631 0.580 367 HG12 VAL 46 HG12 VAL 46 0.335 -5.752 1.290 368 HG13 VAL 46 HG13 VAL 46 1.136 -7.196 0.675 369 HG21 VAL 46 HG21 VAL 46 3.235 -4.898 3.049 370 HG22 VAL 46 HG22 VAL 46 2.038 -5.286 4.282 371 HG23 VAL 46 HG23 VAL 46 1.554 -4.403 2.837 372 H PHE 47 HN PHE 47 -1.228 -7.384 2.206 373 HA PHE 47 HA PHE 47 -2.436 -5.046 3.100 374 HD1 PHE 47 HD2 PHE 47 -3.401 -3.902 1.616 375 HD2 PHE 47 HD1 PHE 47 -6.236 -7.029 2.123 376 HE1 PHE 47 HE2 PHE 47 -5.227 -2.299 1.235 377 HE2 PHE 47 HE1 PHE 47 -8.071 -5.434 1.747 378 HZ PHE 47 HZ PHE 47 -7.563 -3.068 1.303 379 HB2 PHE 47 HB2 PHE 47 -3.052 -6.655 1.184 380 HB3 PHE 47 HB1 PHE 47 -4.009 -7.484 2.406 381 H HIS 48 HN HIS 48 -2.917 -8.392 4.196 382 HA HIS 48 HA HIS 48 -4.738 -7.760 6.262 383 HD1 HIS 48 HD1 HIS 48 -6.664 -9.991 5.822 384 HD2 HIS 48 HD2 HIS 48 -3.391 -10.918 3.438 385 HE1 HIS 48 HE1 HIS 48 -7.625 -10.973 3.716 386 HE2 HIS 48 HE2 HIS 48 -5.629 -11.433 2.248 387 HB2 HIS 48 HB2 HIS 48 -2.907 -10.166 6.039 388 HB3 HIS 48 HB1 HIS 48 -4.331 -10.039 7.066 389 H ILE 49 HN ILE 49 -1.250 -8.020 6.065 390 HA ILE 49 HA ILE 49 -0.518 -7.994 8.729 391 HB ILE 49 HB ILE 49 0.784 -6.401 6.512 392 HG12 ILE 49 HG12 ILE 49 0.576 -8.744 5.878 393 HG13 ILE 49 HG11 ILE 49 2.254 -8.371 6.244 394 HG21 ILE 49 HG21 ILE 49 1.915 -7.430 9.112 395 HG22 ILE 49 HG22 ILE 49 1.535 -5.748 8.738 396 HG23 ILE 49 HG23 ILE 49 2.816 -6.581 7.855 397 HD11 ILE 49 HD11 ILE 49 1.991 -9.395 8.448 398 HD12 ILE 49 HD12 ILE 49 1.644 -10.523 7.138 399 HD13 ILE 49 HD13 ILE 49 0.320 -9.796 8.049 400 H LEU 50 HN LEU 50 -1.190 -5.237 6.596 401 HA LEU 50 HA LEU 50 -1.148 -3.387 8.785 402 HG LEU 50 HG LEU 50 -1.982 -4.030 5.194 403 HB2 LEU 50 HB2 LEU 50 -1.587 -1.724 7.087 404 HB3 LEU 50 HB1 LEU 50 -0.290 -2.790 6.601 405 HD11 LEU 50 HD11 LEU 50 -3.838 -2.190 4.566 406 HD12 LEU 50 HD12 LEU 50 -3.671 -1.881 6.295 407 HD13 LEU 50 HD13 LEU 50 -4.106 -3.492 5.723 408 HD21 LEU 50 HD21 LEU 50 -0.321 -2.080 4.560 409 HD22 LEU 50 HD22 LEU 50 -1.831 -1.227 4.232 410 HD23 LEU 50 HD23 LEU 50 -1.469 -2.733 3.392 411 H ASP 51 HN ASP 51 -3.550 -5.284 7.116 412 HA ASP 51 HA ASP 51 -5.534 -4.389 9.008 413 HB2 ASP 51 HB2 ASP 51 -5.488 -2.812 6.898 414 HB3 ASP 51 HB1 ASP 51 -6.431 -4.127 6.212 415 H LYS 52 HN LYS 52 -5.283 -6.638 9.520 416 HA LYS 52 HA LYS 52 -6.028 -8.673 7.672 417 HB2 LYS 52 HB2 LYS 52 -5.670 -10.204 9.440 418 HB3 LYS 52 HB1 LYS 52 -4.466 -8.944 9.661 419 HG2 LYS 52 HG2 LYS 52 -7.076 -8.916 11.143 420 HG3 LYS 52 HG1 LYS 52 -5.668 -9.802 11.729 421 HD2 LYS 52 HD2 LYS 52 -4.388 -7.618 11.533 422 HD3 LYS 52 HD1 LYS 52 -5.951 -6.836 11.300 423 HE2 LYS 52 HE2 LYS 52 -6.709 -7.771 13.453 424 HE3 LYS 52 HE1 LYS 52 -5.102 -8.457 13.693 425 HZ1 LYS 52 HZ1 LYS 52 -5.318 -6.381 14.875 426 HZ2 LYS 52 HZ2 LYS 52 -5.751 -5.568 13.457 427 HZ3 LYS 52 HZ3 LYS 52 -4.192 -6.203 13.626 428 H ASP 53 HN ASP 53 -7.554 -6.859 10.243 429 HA ASP 53 HA ASP 53 -10.071 -8.280 9.866 430 HB2 ASP 53 HB2 ASP 53 -9.293 -7.825 12.172 431 HB3 ASP 53 HB1 ASP 53 -9.353 -6.096 11.837 432 H LYS 54 HN LYS 54 -8.836 -6.402 7.871 433 HA LYS 54 HA LYS 54 -10.209 -3.978 7.799 434 HB2 LYS 54 HB2 LYS 54 -9.466 -3.730 5.634 435 HB3 LYS 54 HB1 LYS 54 -8.267 -4.811 6.322 436 HG2 LYS 54 HG2 LYS 54 -10.578 -5.643 4.581 437 HG3 LYS 54 HG1 LYS 54 -8.908 -5.451 4.052 438 HD2 LYS 54 HD2 LYS 54 -8.241 -7.197 5.684 439 HD3 LYS 54 HD1 LYS 54 -9.940 -7.440 6.074 440 HE2 LYS 54 HE2 LYS 54 -10.310 -7.927 3.630 441 HE3 LYS 54 HE1 LYS 54 -8.557 -7.931 3.447 442 HZ1 LYS 54 HZ1 LYS 54 -9.399 -10.164 3.754 443 HZ2 LYS 54 HZ2 LYS 54 -10.123 -9.728 5.220 444 HZ3 LYS 54 HZ3 LYS 54 -8.437 -9.722 5.076 445 H SER 55 HN SER 55 -11.327 -7.166 7.364 446 HA SER 55 HA SER 55 -13.434 -7.993 7.091 447 HG SER 55 HG SER 55 -14.841 -6.596 9.230 448 HB2 SER 55 HB2 SER 55 -14.326 -5.102 6.994 449 HB3 SER 55 HB1 SER 55 -15.372 -6.506 7.199 450 H GLY 56 HN GLY 56 -11.636 -7.207 4.849 451 HA2 GLY 56 HA2 GLY 56 -11.967 -7.957 2.614 452 HA3 GLY 56 HA1 GLY 56 -13.655 -7.499 2.743 453 H PHE 57 HN PHE 57 -12.406 -4.861 4.011 454 HA PHE 57 HA PHE 57 -11.202 -3.629 1.713 455 HD1 PHE 57 HD1 PHE 57 -12.415 -2.715 -0.835 456 HD2 PHE 57 HD2 PHE 57 -15.014 -4.957 1.677 457 HE1 PHE 57 HE1 PHE 57 -13.137 -4.046 -2.776 458 HE2 PHE 57 HE2 PHE 57 -15.740 -6.293 -0.258 459 HZ PHE 57 HZ PHE 57 -14.801 -5.837 -2.488 460 HB2 PHE 57 HB2 PHE 57 -14.044 -2.897 2.433 461 HB3 PHE 57 HB1 PHE 57 -13.011 -1.927 1.382 462 H ILE 58 HN ILE 58 -10.129 -1.829 2.188 463 HA ILE 58 HA ILE 58 -10.341 -0.757 4.927 464 HB ILE 58 HB ILE 58 -8.073 -0.068 3.099 465 HG12 ILE 58 HG12 ILE 58 -8.200 -2.562 4.802 466 HG13 ILE 58 HG11 ILE 58 -8.243 -2.541 3.043 467 HG21 ILE 58 HG21 ILE 58 -6.891 0.156 5.223 468 HG22 ILE 58 HG22 ILE 58 -8.313 -0.444 6.078 469 HG23 ILE 58 HG23 ILE 58 -8.382 1.098 5.236 470 HD11 ILE 58 HD11 ILE 58 -6.006 -1.518 3.039 471 HD12 ILE 58 HD12 ILE 58 -6.037 -3.103 3.810 472 HD13 ILE 58 HD13 ILE 58 -5.971 -1.646 4.797 473 H GLU 59 HN GLU 59 -10.452 1.444 5.245 474 HA GLU 59 HA GLU 59 -11.706 2.827 3.001 475 HB2 GLU 59 HB2 GLU 59 -11.921 2.876 5.938 476 HB3 GLU 59 HB1 GLU 59 -12.195 4.409 5.107 477 HG2 GLU 59 HG2 GLU 59 -14.283 3.222 5.491 478 HG3 GLU 59 HG1 GLU 59 -13.946 3.369 3.767 479 H GLU 60 HN GLU 60 -10.716 4.299 1.972 480 HA GLU 60 HA GLU 60 -8.151 5.131 2.126 481 HB2 GLU 60 HB2 GLU 60 -8.780 7.010 0.741 482 HB3 GLU 60 HB1 GLU 60 -9.692 5.581 0.264 483 HG2 GLU 60 HG2 GLU 60 -11.659 6.360 1.249 484 HG3 GLU 60 HG1 GLU 60 -10.780 7.541 2.213 485 H ASP 61 HN ASP 61 -10.834 6.309 3.999 486 HA ASP 61 HA ASP 61 -9.627 8.708 4.904 487 HB2 ASP 61 HB2 ASP 61 -11.870 7.036 6.055 488 HB3 ASP 61 HB1 ASP 61 -11.411 8.625 6.667 489 H GLU 62 HN GLU 62 -10.069 5.530 6.408 490 HA GLU 62 HA GLU 62 -8.390 6.215 8.654 491 HB2 GLU 62 HB2 GLU 62 -10.304 4.689 8.925 492 HB3 GLU 62 HB1 GLU 62 -9.549 3.546 7.821 493 HG2 GLU 62 HG2 GLU 62 -7.690 3.265 9.379 494 HG3 GLU 62 HG1 GLU 62 -8.444 4.413 10.484 495 H LEU 63 HN LEU 63 -8.011 4.830 5.533 496 HA LEU 63 HA LEU 63 -5.845 3.195 5.708 497 HG LEU 63 HG LEU 63 -5.400 3.301 2.158 498 HB2 LEU 63 HB2 LEU 63 -7.243 4.435 3.716 499 HB3 LEU 63 HB1 LEU 63 -5.633 5.089 3.517 500 HD11 LEU 63 HD11 LEU 63 -5.080 1.728 4.693 501 HD12 LEU 63 HD12 LEU 63 -3.895 2.899 4.121 502 HD13 LEU 63 HD13 LEU 63 -4.268 1.480 3.146 503 HD21 LEU 63 HD21 LEU 63 -6.658 1.133 2.543 504 HD22 LEU 63 HD22 LEU 63 -7.610 2.550 2.101 505 HD23 LEU 63 HD23 LEU 63 -7.557 2.013 3.776 506 H GLY 64 HN GLY 64 -5.804 6.700 5.459 507 HA2 GLY 64 HA2 GLY 64 -3.036 7.063 5.382 508 HA3 GLY 64 HA1 GLY 64 -4.186 8.255 5.975 509 H SER 65 HN SER 65 -5.098 6.209 8.004 510 HA SER 65 HA SER 65 -3.175 6.943 10.037 511 HG SER 65 HG SER 65 -5.005 4.984 12.193 512 HB2 SER 65 HB2 SER 65 -5.597 7.042 10.525 513 HB3 SER 65 HB1 SER 65 -5.717 5.305 10.249 514 H ILE 66 HN ILE 66 -4.697 3.883 9.057 515 HA ILE 66 HA ILE 66 -2.937 2.182 10.386 516 HB ILE 66 HB ILE 66 -5.079 1.457 9.401 517 HG12 ILE 66 HG12 ILE 66 -4.281 -0.718 8.518 518 HG13 ILE 66 HG11 ILE 66 -2.658 -0.044 8.479 519 HG21 ILE 66 HG21 ILE 66 -3.642 1.494 6.764 520 HG22 ILE 66 HG22 ILE 66 -4.814 2.704 7.276 521 HG23 ILE 66 HG23 ILE 66 -5.316 1.029 7.058 522 HD11 ILE 66 HD11 ILE 66 -2.818 0.319 10.930 523 HD12 ILE 66 HD12 ILE 66 -2.869 -1.372 10.443 524 HD13 ILE 66 HD13 ILE 66 -4.355 -0.542 10.903 525 H LEU 67 HN LEU 67 -2.414 4.108 7.589 526 HA LEU 67 HA LEU 67 -0.696 2.768 6.003 527 HG LEU 67 HG LEU 67 -0.761 5.917 4.348 528 HB2 LEU 67 HB2 LEU 67 -1.375 5.444 6.587 529 HB3 LEU 67 HB1 LEU 67 0.364 5.369 6.491 530 HD11 LEU 67 HD11 LEU 67 0.519 4.008 3.088 531 HD12 LEU 67 HD12 LEU 67 1.123 3.659 4.709 532 HD13 LEU 67 HD13 LEU 67 1.390 5.246 3.992 533 HD21 LEU 67 HD21 LEU 67 -2.197 3.515 4.987 534 HD22 LEU 67 HD22 LEU 67 -1.421 3.386 3.415 535 HD23 LEU 67 HD23 LEU 67 -2.524 4.716 3.741 536 H LYS 68 HN LYS 68 0.181 4.458 9.015 537 HA LYS 68 HA LYS 68 2.901 4.163 8.851 538 HB2 LYS 68 HB2 LYS 68 2.764 4.105 11.435 539 HB3 LYS 68 HB1 LYS 68 2.246 5.519 10.532 540 HG2 LYS 68 HG2 LYS 68 0.736 4.936 12.373 541 HG3 LYS 68 HG1 LYS 68 -0.029 4.960 10.786 542 HD2 LYS 68 HD2 LYS 68 -0.061 2.581 10.678 543 HD3 LYS 68 HD1 LYS 68 0.992 2.443 12.088 544 HE2 LYS 68 HE2 LYS 68 -0.832 3.563 13.415 545 HE3 LYS 68 HE1 LYS 68 -1.869 3.379 12.001 546 HZ1 LYS 68 HZ1 LYS 68 -0.603 1.205 13.574 547 HZ2 LYS 68 HZ2 LYS 68 -1.437 0.961 12.124 548 HZ3 LYS 68 HZ3 LYS 68 -2.255 1.562 13.476 549 H GLY 69 HN GLY 69 0.670 1.553 9.209 550 HA2 GLY 69 HA2 GLY 69 2.062 -0.300 10.694 551 HA3 GLY 69 HA1 GLY 69 1.150 -0.714 9.245 552 H PHE 70 HN PHE 70 2.498 0.409 7.254 553 HA PHE 70 HA PHE 70 5.067 -0.983 7.268 554 HD1 PHE 70 HD2 PHE 70 1.473 -1.151 5.840 555 HD2 PHE 70 HD1 PHE 70 4.032 1.465 3.658 556 HE1 PHE 70 HE2 PHE 70 -0.493 -0.005 4.909 557 HE2 PHE 70 HE1 PHE 70 2.054 2.613 2.714 558 HZ PHE 70 HZ PHE 70 -0.203 1.870 3.346 559 HB2 PHE 70 HB2 PHE 70 4.927 -0.449 4.732 560 HB3 PHE 70 HB1 PHE 70 3.873 -1.698 5.385 561 H SER 71 HN SER 71 3.550 2.069 6.506 562 HA SER 71 HA SER 71 5.910 3.490 5.838 563 HG SER 71 HG SER 71 2.691 5.495 6.916 564 HB2 SER 71 HB2 SER 71 4.463 5.473 5.815 565 HB3 SER 71 HB1 SER 71 3.743 4.132 4.925 566 H SER 72 HN SER 72 5.120 2.369 8.818 567 HA SER 72 HA SER 72 5.183 4.429 10.608 568 HG SER 72 HG SER 72 7.281 1.064 11.007 569 HB2 SER 72 HB2 SER 72 6.713 2.809 12.002 570 HB3 SER 72 HB1 SER 72 5.056 2.346 11.630 571 H ASP 73 HN ASP 73 7.776 3.402 8.519 572 HA ASP 73 HA ASP 73 9.710 5.090 9.899 573 HB2 ASP 73 HB2 ASP 73 10.198 3.617 7.327 574 HB3 ASP 73 HB1 ASP 73 11.359 4.135 8.543 575 H ALA 74 HN ALA 74 7.662 5.063 7.104 576 HA ALA 74 HA ALA 74 8.861 7.424 5.918 577 HB1 ALA 74 HB1 ALA 74 6.321 6.001 5.122 578 HB2 ALA 74 HB2 ALA 74 7.927 5.549 4.553 579 HB3 ALA 74 HB3 ALA 74 7.263 7.132 4.151 580 H ARG 75 HN ARG 75 6.196 8.485 5.045 581 HA ARG 75 HA ARG 75 5.594 9.913 7.531 582 HE ARG 75 HE ARG 75 4.944 13.658 5.860 583 HB2 ARG 75 HB2 ARG 75 5.122 10.640 4.647 584 HB3 ARG 75 HB1 ARG 75 4.460 11.562 5.988 585 HG2 ARG 75 HG2 ARG 75 6.668 12.081 6.791 586 HG3 ARG 75 HG1 ARG 75 7.396 11.048 5.562 587 HD2 ARG 75 HD2 ARG 75 7.557 13.365 4.886 588 HD3 ARG 75 HD1 ARG 75 6.449 12.500 3.815 589 HH11 ARG 75 HH11 ARG 75 6.911 14.632 3.157 590 HH12 ARG 75 HH12 ARG 75 6.041 16.106 2.889 591 HH21 ARG 75 HH21 ARG 75 3.796 15.596 5.521 592 HH22 ARG 75 HH22 ARG 75 4.269 16.655 4.235 593 H ASP 76 HN ASP 76 3.429 9.589 4.744 594 HA ASP 76 HA ASP 76 1.659 7.701 5.865 595 HB2 ASP 76 HB2 ASP 76 -0.088 9.119 6.760 596 HB3 ASP 76 HB1 ASP 76 1.421 9.483 7.585 597 H LEU 77 HN LEU 77 -0.749 8.432 5.046 598 HA LEU 77 HA LEU 77 -0.511 9.019 2.150 599 HG LEU 77 HG LEU 77 -3.243 8.346 1.528 600 HB2 LEU 77 HB2 LEU 77 -1.024 6.737 2.403 601 HB3 LEU 77 HB1 LEU 77 -2.098 7.046 3.744 602 HD11 LEU 77 HD11 LEU 77 -1.748 6.902 0.154 603 HD12 LEU 77 HD12 LEU 77 -3.460 6.576 -0.091 604 HD13 LEU 77 HD13 LEU 77 -2.493 5.493 0.904 605 HD21 LEU 77 HD21 LEU 77 -4.774 7.552 2.988 606 HD22 LEU 77 HD22 LEU 77 -3.797 6.134 3.395 607 HD23 LEU 77 HD23 LEU 77 -4.754 6.156 1.904 608 H SER 78 HN SER 78 -0.838 11.289 2.985 609 HA SER 78 HA SER 78 -3.185 12.092 4.305 610 HG SER 78 HG SER 78 -0.565 12.664 4.493 611 HB2 SER 78 HB2 SER 78 -1.410 13.674 2.434 612 HB3 SER 78 HB1 SER 78 -2.599 14.361 3.541 613 H ALA 79 HN ALA 79 -4.453 14.009 2.995 614 HA ALA 79 HA ALA 79 -6.427 12.825 1.517 615 HB1 ALA 79 HB1 ALA 79 -7.076 15.023 0.806 616 HB2 ALA 79 HB2 ALA 79 -5.444 15.637 1.083 617 HB3 ALA 79 HB3 ALA 79 -6.445 15.142 2.452 618 H LYS 80 HN LYS 80 -3.554 14.477 0.306 619 HA LYS 80 HA LYS 80 -3.931 14.323 -2.404 620 HB2 LYS 80 HB2 LYS 80 -1.371 13.930 -0.842 621 HB3 LYS 80 HB1 LYS 80 -1.437 14.225 -2.576 622 HG2 LYS 80 HG2 LYS 80 -2.378 16.404 -2.232 623 HG3 LYS 80 HG1 LYS 80 -2.534 16.107 -0.499 624 HD2 LYS 80 HD2 LYS 80 -0.142 16.025 -0.246 625 HD3 LYS 80 HD1 LYS 80 0.086 16.137 -1.993 626 HE2 LYS 80 HE2 LYS 80 -1.178 18.252 -0.250 627 HE3 LYS 80 HE1 LYS 80 0.480 18.285 -0.848 628 HZ1 LYS 80 HZ1 LYS 80 -0.964 19.637 -2.220 629 HZ2 LYS 80 HZ2 LYS 80 -1.973 18.313 -2.524 630 HZ3 LYS 80 HZ3 LYS 80 -0.387 18.318 -3.112 631 H GLU 81 HN GLU 81 -2.313 11.864 -0.400 632 HA GLU 81 HA GLU 81 -2.162 9.969 -2.528 633 HB2 GLU 81 HB2 GLU 81 -1.901 9.355 0.393 634 HB3 GLU 81 HB1 GLU 81 -1.115 8.550 -0.940 635 HG2 GLU 81 HG2 GLU 81 -0.470 11.207 0.269 636 HG3 GLU 81 HG1 GLU 81 0.583 9.814 0.031 637 H THR 82 HN THR 82 -4.454 10.713 0.006 638 HA THR 82 HA THR 82 -5.849 8.267 0.011 639 HB THR 82 HB THR 82 -6.989 11.052 0.389 640 HG1 THR 82 HG1 THR 82 -6.189 9.223 2.413 641 HG21 THR 82 HG21 THR 82 -8.530 8.985 -0.018 642 HG22 THR 82 HG22 THR 82 -8.891 10.099 1.301 643 HG23 THR 82 HG23 THR 82 -8.087 8.566 1.638 644 H LYS 83 HN LYS 83 -6.302 11.261 -1.781 645 HA LYS 83 HA LYS 83 -8.221 10.162 -3.593 646 HB2 LYS 83 HB2 LYS 83 -6.655 12.737 -3.805 647 HB3 LYS 83 HB1 LYS 83 -8.106 12.321 -4.705 648 HG2 LYS 83 HG2 LYS 83 -8.217 12.330 -1.732 649 HG3 LYS 83 HG1 LYS 83 -8.218 13.868 -2.597 650 HD2 LYS 83 HD2 LYS 83 -10.494 13.140 -2.169 651 HD3 LYS 83 HD1 LYS 83 -10.162 13.113 -3.902 652 HE2 LYS 83 HE2 LYS 83 -10.019 10.771 -3.947 653 HE3 LYS 83 HE1 LYS 83 -9.857 10.662 -2.193 654 HZ1 LYS 83 HZ1 LYS 83 -12.056 10.005 -2.846 655 HZ2 LYS 83 HZ2 LYS 83 -12.295 11.447 -3.698 656 HZ3 LYS 83 HZ3 LYS 83 -12.158 11.474 -2.013 657 H THR 84 HN THR 84 -4.735 10.545 -3.548 658 HA THR 84 HA THR 84 -4.517 10.085 -6.388 659 HB THR 84 HB THR 84 -2.373 10.495 -4.329 660 HG1 THR 84 HG1 THR 84 -3.669 12.343 -4.834 661 HG21 THR 84 HG21 THR 84 -0.834 10.763 -6.206 662 HG22 THR 84 HG22 THR 84 -2.129 10.368 -7.336 663 HG23 THR 84 HG23 THR 84 -1.542 9.147 -6.208 664 H LEU 85 HN LEU 85 -3.228 8.446 -3.495 665 HA LEU 85 HA LEU 85 -2.443 6.181 -5.094 666 HG LEU 85 HG LEU 85 -2.414 4.143 -2.988 667 HB2 LEU 85 HB2 LEU 85 -1.051 6.789 -3.242 668 HB3 LEU 85 HB1 LEU 85 -2.390 6.624 -2.127 669 HD11 LEU 85 HD11 LEU 85 -0.841 4.018 -4.634 670 HD12 LEU 85 HD12 LEU 85 0.125 3.568 -3.232 671 HD13 LEU 85 HD13 LEU 85 0.216 5.206 -3.868 672 HD21 LEU 85 HD21 LEU 85 -2.079 4.505 -0.715 673 HD22 LEU 85 HD22 LEU 85 -0.584 5.401 -0.978 674 HD23 LEU 85 HD23 LEU 85 -0.619 3.654 -1.218 675 H MET 86 HN MET 86 -4.804 6.580 -2.408 676 HA MET 86 HA MET 86 -5.745 3.927 -2.646 677 HB2 MET 86 HB2 MET 86 -7.440 6.205 -1.633 678 HB3 MET 86 HB1 MET 86 -7.510 4.506 -1.185 679 HG2 MET 86 HG2 MET 86 -5.383 6.498 -0.484 680 HG3 MET 86 HG1 MET 86 -6.468 5.638 0.606 681 HE1 MET 86 HE1 MET 86 -6.186 2.753 -1.161 682 HE2 MET 86 HE2 MET 86 -6.454 2.859 0.576 683 HE3 MET 86 HE3 MET 86 -5.097 1.923 -0.050 684 H ALA 87 HN ALA 87 -7.152 6.943 -3.925 685 HA ALA 87 HA ALA 87 -9.324 5.839 -5.251 686 HB1 ALA 87 HB1 ALA 87 -7.785 8.029 -6.563 687 HB2 ALA 87 HB2 ALA 87 -8.522 8.315 -4.981 688 HB3 ALA 87 HB3 ALA 87 -9.526 7.841 -6.356 689 H ALA 88 HN ALA 88 -5.939 5.632 -5.995 690 HA ALA 88 HA ALA 88 -6.277 4.857 -8.742 691 HB1 ALA 88 HB1 ALA 88 -4.231 5.953 -8.013 692 HB2 ALA 88 HB2 ALA 88 -3.880 4.351 -8.662 693 HB3 ALA 88 HB3 ALA 88 -3.888 4.614 -6.919 694 H GLY 89 HN GLY 89 -5.001 3.064 -5.918 695 HA2 GLY 89 HA2 GLY 89 -5.016 0.537 -7.013 696 HA3 GLY 89 HA1 GLY 89 -5.258 0.859 -5.302 697 H ASP 90 HN ASP 90 -7.670 2.366 -5.712 698 HA ASP 90 HA ASP 90 -9.520 0.144 -6.084 699 HB2 ASP 90 HB2 ASP 90 -11.167 1.544 -4.933 700 HB3 ASP 90 HB1 ASP 90 -9.688 1.428 -3.985 701 H LYS 91 HN LYS 91 -8.360 1.126 -8.377 702 HA LYS 91 HA LYS 91 -9.117 3.054 -9.949 703 HB2 LYS 91 HB2 LYS 91 -7.954 0.834 -10.430 704 HB3 LYS 91 HB1 LYS 91 -9.549 0.230 -10.840 705 HG2 LYS 91 HG2 LYS 91 -8.365 0.897 -12.786 706 HG3 LYS 91 HG1 LYS 91 -9.763 1.938 -12.555 707 HD2 LYS 91 HD2 LYS 91 -8.442 3.739 -11.852 708 HD3 LYS 91 HD1 LYS 91 -7.049 2.704 -11.539 709 HE2 LYS 91 HE2 LYS 91 -6.856 2.288 -13.966 710 HE3 LYS 91 HE1 LYS 91 -8.205 3.390 -14.241 711 HZ1 LYS 91 HZ1 LYS 91 -5.594 4.113 -13.020 712 HZ2 LYS 91 HZ2 LYS 91 -6.889 5.174 -13.264 713 HZ3 LYS 91 HZ3 LYS 91 -6.094 4.494 -14.592 714 H ASP 92 HN ASP 92 -11.357 0.486 -9.037 715 HA ASP 92 HA ASP 92 -13.437 1.032 -10.777 716 HB2 ASP 92 HB2 ASP 92 -13.408 -0.901 -9.249 717 HB3 ASP 92 HB1 ASP 92 -13.685 0.178 -7.885 718 H GLY 93 HN GLY 93 -12.285 2.944 -8.159 719 HA2 GLY 93 HA2 GLY 93 -12.765 5.188 -7.797 720 HA3 GLY 93 HA1 GLY 93 -14.188 5.026 -8.819 721 H ASP 94 HN ASP 94 -13.342 3.075 -5.984 722 HA ASP 94 HA ASP 94 -15.863 3.939 -4.760 723 HB2 ASP 94 HB2 ASP 94 -14.083 1.581 -4.109 724 HB3 ASP 94 HB1 ASP 94 -15.595 1.963 -3.291 725 H GLY 95 HN GLY 95 -12.580 4.607 -4.590 726 HA2 GLY 95 HA2 GLY 95 -11.329 5.826 -3.119 727 HA3 GLY 95 HA1 GLY 95 -12.826 6.254 -2.306 728 H LYS 96 HN LYS 96 -11.940 2.947 -2.746 729 HA LYS 96 HA LYS 96 -10.691 2.680 -0.156 730 HB2 LYS 96 HB2 LYS 96 -13.200 1.072 -0.586 731 HB3 LYS 96 HB1 LYS 96 -12.333 1.379 0.911 732 HG2 LYS 96 HG2 LYS 96 -13.075 3.671 0.930 733 HG3 LYS 96 HG1 LYS 96 -13.850 3.461 -0.638 734 HD2 LYS 96 HD2 LYS 96 -15.280 1.689 0.410 735 HD3 LYS 96 HD1 LYS 96 -14.608 2.171 1.970 736 HE2 LYS 96 HE2 LYS 96 -16.724 3.279 1.619 737 HE3 LYS 96 HE1 LYS 96 -15.413 4.465 1.585 738 HZ1 LYS 96 HZ1 LYS 96 -16.733 3.288 -0.805 739 HZ2 LYS 96 HZ2 LYS 96 -15.511 4.458 -0.820 740 HZ3 LYS 96 HZ3 LYS 96 -17.033 4.833 -0.184 741 H ILE 97 HN ILE 97 -9.514 0.791 0.003 742 HA ILE 97 HA ILE 97 -9.593 -0.912 -2.396 743 HB ILE 97 HB ILE 97 -7.188 -0.296 -0.677 744 HG12 ILE 97 HG12 ILE 97 -7.985 0.656 -3.436 745 HG13 ILE 97 HG11 ILE 97 -7.784 1.644 -1.992 746 HG21 ILE 97 HG21 ILE 97 -7.085 -2.530 -1.609 747 HG22 ILE 97 HG22 ILE 97 -5.933 -1.478 -2.434 748 HG23 ILE 97 HG23 ILE 97 -7.455 -1.902 -3.214 749 HD11 ILE 97 HD11 ILE 97 -5.903 1.873 -3.524 750 HD12 ILE 97 HD12 ILE 97 -5.591 0.141 -3.401 751 HD13 ILE 97 HD13 ILE 97 -5.402 1.173 -1.983 752 H GLY 98 HN GLY 98 -9.736 -3.031 -2.168 753 HA2 GLY 98 HA2 GLY 98 -9.597 -4.165 0.550 754 HA3 GLY 98 HA1 GLY 98 -10.769 -4.690 -0.659 755 H VAL 99 HN VAL 99 -9.909 -6.861 -0.443 756 HA VAL 99 HA VAL 99 -7.186 -7.416 -1.011 757 HB VAL 99 HB VAL 99 -8.756 -8.971 0.189 758 HG11 VAL 99 HG11 VAL 99 -10.256 -10.361 -1.000 759 HG12 VAL 99 HG12 VAL 99 -9.656 -9.797 -2.560 760 HG13 VAL 99 HG13 VAL 99 -10.591 -8.710 -1.529 761 HG21 VAL 99 HG21 VAL 99 -7.209 -10.061 -2.159 762 HG22 VAL 99 HG22 VAL 99 -7.769 -11.014 -0.785 763 HG23 VAL 99 HG23 VAL 99 -6.585 -9.731 -0.542 764 H GLU 100 HN GLU 100 -10.031 -7.041 -3.007 765 HA GLU 100 HA GLU 100 -8.892 -8.186 -5.365 766 HB2 GLU 100 HB2 GLU 100 -11.028 -6.273 -5.853 767 HB3 GLU 100 HB1 GLU 100 -10.923 -7.965 -6.299 768 HG2 GLU 100 HG2 GLU 100 -11.757 -6.847 -3.655 769 HG3 GLU 100 HG1 GLU 100 -12.827 -7.534 -4.876 770 H GLU 101 HN GLU 101 -9.731 -4.858 -4.449 771 HA GLU 101 HA GLU 101 -8.594 -3.630 -6.692 772 HB2 GLU 101 HB2 GLU 101 -9.308 -2.644 -3.962 773 HB3 GLU 101 HB1 GLU 101 -8.538 -1.585 -5.126 774 HG2 GLU 101 HG2 GLU 101 -11.031 -1.464 -5.042 775 HG3 GLU 101 HG1 GLU 101 -10.339 -1.769 -6.637 776 H PHE 102 HN PHE 102 -7.105 -4.577 -3.633 777 HA PHE 102 HA PHE 102 -4.788 -3.059 -3.757 778 HD1 PHE 102 HD2 PHE 102 -4.874 -2.702 -1.078 779 HD2 PHE 102 HD1 PHE 102 -2.206 -5.702 -2.444 780 HE1 PHE 102 HE2 PHE 102 -3.070 -1.688 0.252 781 HE2 PHE 102 HE1 PHE 102 -0.384 -4.704 -1.116 782 HZ PHE 102 HZ PHE 102 -0.818 -2.691 0.234 783 HB2 PHE 102 HB2 PHE 102 -5.625 -4.954 -2.053 784 HB3 PHE 102 HB1 PHE 102 -4.432 -5.886 -2.946 785 H SER 103 HN SER 103 -5.788 -5.750 -5.689 786 HA SER 103 HA SER 103 -3.200 -6.242 -6.837 787 HG SER 103 HG SER 103 -4.408 -7.254 -9.428 788 HB2 SER 103 HB2 SER 103 -4.895 -8.030 -6.744 789 HB3 SER 103 HB1 SER 103 -5.958 -7.081 -7.783 790 H THR 104 HN THR 104 -6.146 -4.511 -7.729 791 HA THR 104 HA THR 104 -5.451 -3.725 -10.310 792 HB THR 104 HB THR 104 -7.052 -2.111 -8.296 793 HG1 THR 104 HG1 THR 104 -8.011 -4.125 -8.566 794 HG21 THR 104 HG21 THR 104 -6.434 -0.759 -10.197 795 HG22 THR 104 HG22 THR 104 -8.136 -1.196 -10.343 796 HG23 THR 104 HG23 THR 104 -6.924 -2.032 -11.315 797 H LEU 105 HN LEU 105 -4.645 -2.373 -7.176 798 HA LEU 105 HA LEU 105 -3.459 0.019 -8.030 799 HG LEU 105 HG LEU 105 -3.281 1.380 -5.755 800 HB2 LEU 105 HB2 LEU 105 -4.090 -0.840 -5.659 801 HB3 LEU 105 HB1 LEU 105 -2.471 -1.512 -5.651 802 HD11 LEU 105 HD11 LEU 105 -1.398 1.220 -3.885 803 HD12 LEU 105 HD12 LEU 105 -2.008 -0.433 -3.804 804 HD13 LEU 105 HD13 LEU 105 -3.104 0.925 -3.551 805 HD21 LEU 105 HD21 LEU 105 -0.821 1.843 -5.926 806 HD22 LEU 105 HD22 LEU 105 -1.589 1.235 -7.392 807 HD23 LEU 105 HD23 LEU 105 -0.615 0.153 -6.395 808 H VAL 106 HN VAL 106 -2.217 -3.257 -7.717 809 HA VAL 106 HA VAL 106 0.509 -2.738 -8.038 810 HB VAL 106 HB VAL 106 -1.040 -5.138 -9.036 811 HG11 VAL 106 HG11 VAL 106 1.113 -6.309 -8.905 812 HG12 VAL 106 HG12 VAL 106 1.905 -4.791 -8.484 813 HG13 VAL 106 HG13 VAL 106 1.156 -4.984 -10.068 814 HG21 VAL 106 HG21 VAL 106 -0.375 -6.191 -6.931 815 HG22 VAL 106 HG22 VAL 106 -1.355 -4.754 -6.643 816 HG23 VAL 106 HG23 VAL 106 0.393 -4.689 -6.419 817 H ALA 107 HN ALA 107 -2.114 -2.922 -10.344 818 HA ALA 107 HA ALA 107 -0.395 -2.817 -12.658 819 HB1 ALA 107 HB1 ALA 107 -2.470 -2.632 -13.933 820 HB2 ALA 107 HB2 ALA 107 -3.380 -2.423 -12.437 821 HB3 ALA 107 HB3 ALA 107 -2.565 -3.951 -12.766 822 H GLU 108 HN GLU 108 -2.074 -0.603 -10.580 823 HA GLU 108 HA GLU 108 -2.093 1.666 -12.252 824 HB2 GLU 108 HB2 GLU 108 -2.120 1.347 -9.258 825 HB3 GLU 108 HB1 GLU 108 -2.238 2.914 -10.048 826 HG2 GLU 108 HG2 GLU 108 -4.101 0.753 -10.858 827 HG3 GLU 108 HG1 GLU 108 -4.391 1.611 -9.345 828 H SER 109 HN SER 109 -0.065 1.118 -9.390 829 HA SER 109 HA SER 109 1.786 3.112 -9.827 830 HG SER 109 HG SER 109 4.008 1.498 -7.607 831 HB2 SER 109 HB2 SER 109 1.926 2.085 -7.733 832 HB3 SER 109 HB1 SER 109 1.960 0.462 -8.421 Start of MODEL 12 1 HA SER 1 HA SER 1 4.709 -8.277 8.823 2 HG SER 1 HG SER 1 5.648 -8.315 11.022 3 H1 SER 1 HT1 SER 1 3.579 -9.802 10.307 4 H2 SER 1 HT2 SER 1 3.930 -11.096 9.276 5 H3 SER 1 HT3 SER 1 2.910 -9.851 8.753 6 HB2 SER 1 HB2 SER 1 6.385 -10.671 9.625 7 HB3 SER 1 HB1 SER 1 7.006 -9.061 9.260 8 H MET 2 HN MET 2 4.976 -7.833 6.750 9 HA MET 2 HA MET 2 5.243 -10.030 4.838 10 HB2 MET 2 HB2 MET 2 3.486 -8.212 4.605 11 HB3 MET 2 HB1 MET 2 4.806 -7.120 4.204 12 HG2 MET 2 HG2 MET 2 3.764 -7.919 2.191 13 HG3 MET 2 HG1 MET 2 5.400 -8.562 2.312 14 HE1 MET 2 HE1 MET 2 3.182 -11.335 0.504 15 HE2 MET 2 HE2 MET 2 4.616 -10.326 0.332 16 HE3 MET 2 HE3 MET 2 3.017 -9.584 0.400 17 H THR 3 HN THR 3 7.449 -8.956 6.570 18 HA THR 3 HA THR 3 9.240 -7.624 4.735 19 HB THR 3 HB THR 3 9.777 -8.737 7.494 20 HG1 THR 3 HG1 THR 3 8.660 -7.023 8.044 21 HG21 THR 3 HG21 THR 3 11.395 -6.857 5.772 22 HG22 THR 3 HG22 THR 3 11.827 -8.512 6.198 23 HG23 THR 3 HG23 THR 3 11.754 -7.270 7.448 24 H ASP 4 HN ASP 4 8.432 -10.858 5.473 25 HA ASP 4 HA ASP 4 11.010 -11.927 4.629 26 HB2 ASP 4 HB2 ASP 4 8.550 -13.564 5.193 27 HB3 ASP 4 HB1 ASP 4 10.244 -14.026 5.356 28 H LEU 5 HN LEU 5 7.696 -11.625 3.524 29 HA LEU 5 HA LEU 5 8.102 -13.268 1.214 30 HG LEU 5 HG LEU 5 6.147 -14.478 1.150 31 HB2 LEU 5 HB2 LEU 5 5.977 -12.541 2.743 32 HB3 LEU 5 HB1 LEU 5 5.777 -11.498 1.352 33 HD11 LEU 5 HD11 LEU 5 3.615 -14.361 0.620 34 HD12 LEU 5 HD12 LEU 5 3.666 -12.865 1.552 35 HD13 LEU 5 HD13 LEU 5 4.150 -14.385 2.299 36 HD21 LEU 5 HD21 LEU 5 5.101 -14.110 -1.084 37 HD22 LEU 5 HD22 LEU 5 6.678 -13.346 -0.890 38 HD23 LEU 5 HD23 LEU 5 5.209 -12.374 -0.793 39 H LEU 6 HN LEU 6 7.304 -9.813 1.707 40 HA LEU 6 HA LEU 6 7.877 -9.156 -1.023 41 HG LEU 6 HG LEU 6 5.435 -8.582 0.393 42 HB2 LEU 6 HB2 LEU 6 7.449 -7.466 1.440 43 HB3 LEU 6 HB1 LEU 6 7.782 -6.777 -0.136 44 HD11 LEU 6 HD11 LEU 6 5.340 -6.549 1.807 45 HD12 LEU 6 HD12 LEU 6 4.065 -6.606 0.590 46 HD13 LEU 6 HD13 LEU 6 5.469 -5.568 0.347 47 HD21 LEU 6 HD21 LEU 6 6.279 -8.275 -1.955 48 HD22 LEU 6 HD22 LEU 6 5.871 -6.564 -1.799 49 HD23 LEU 6 HD23 LEU 6 4.605 -7.788 -1.686 50 H SER 7 HN SER 7 9.645 -7.862 -1.782 51 HA SER 7 HA SER 7 12.151 -8.661 -0.987 52 HG SER 7 HG SER 7 10.329 -6.539 -3.244 53 HB2 SER 7 HB2 SER 7 12.851 -6.362 -2.067 54 HB3 SER 7 HB1 SER 7 12.157 -7.642 -3.061 55 H ALA 8 HN ALA 8 13.013 -8.477 0.980 56 HA ALA 8 HA ALA 8 12.207 -6.702 2.971 57 HB1 ALA 8 HB1 ALA 8 13.380 -8.797 3.427 58 HB2 ALA 8 HB2 ALA 8 14.175 -7.428 4.208 59 HB3 ALA 8 HB3 ALA 8 14.857 -8.122 2.735 60 H GLU 9 HN GLU 9 14.954 -6.472 0.733 61 HA GLU 9 HA GLU 9 15.988 -4.096 1.883 62 HB2 GLU 9 HB2 GLU 9 17.477 -4.006 0.051 63 HB3 GLU 9 HB1 GLU 9 17.217 -5.717 0.354 64 HG2 GLU 9 HG2 GLU 9 15.589 -5.775 -1.487 65 HG3 GLU 9 HG1 GLU 9 15.917 -4.070 -1.800 66 H ASP 10 HN ASP 10 13.882 -4.699 -0.908 67 HA ASP 10 HA ASP 10 13.628 -2.148 -1.909 68 HB2 ASP 10 HB2 ASP 10 11.516 -4.272 -1.602 69 HB3 ASP 10 HB1 ASP 10 11.357 -2.856 -2.641 70 H ILE 11 HN ILE 11 11.561 -3.649 0.567 71 HA ILE 11 HA ILE 11 9.983 -1.366 1.097 72 HB ILE 11 HB ILE 11 10.652 -3.683 2.913 73 HG12 ILE 11 HG12 ILE 11 8.429 -3.318 0.911 74 HG13 ILE 11 HG11 ILE 11 9.699 -4.528 0.867 75 HG21 ILE 11 HG21 ILE 11 8.557 -3.123 4.061 76 HG22 ILE 11 HG22 ILE 11 8.329 -1.746 2.977 77 HG23 ILE 11 HG23 ILE 11 9.687 -1.769 4.106 78 HD11 ILE 11 HD11 ILE 11 7.513 -4.340 2.924 79 HD12 ILE 11 HD12 ILE 11 8.788 -5.559 2.873 80 HD13 ILE 11 HD13 ILE 11 7.589 -5.482 1.581 81 H LYS 12 HN LYS 12 12.728 -2.707 2.966 82 HA LYS 12 HA LYS 12 12.791 -0.616 4.825 83 HB2 LYS 12 HB2 LYS 12 14.971 -2.474 3.861 84 HB3 LYS 12 HB1 LYS 12 15.192 -1.337 5.185 85 HG2 LYS 12 HG2 LYS 12 13.316 -2.429 6.374 86 HG3 LYS 12 HG1 LYS 12 13.242 -3.626 5.079 87 HD2 LYS 12 HD2 LYS 12 15.537 -4.301 5.557 88 HD3 LYS 12 HD1 LYS 12 15.643 -3.080 6.827 89 HE2 LYS 12 HE2 LYS 12 13.725 -5.408 6.787 90 HE3 LYS 12 HE1 LYS 12 15.215 -5.328 7.726 91 HZ1 LYS 12 HZ1 LYS 12 14.314 -3.436 8.926 92 HZ2 LYS 12 HZ2 LYS 12 13.285 -4.771 9.068 93 HZ3 LYS 12 HZ3 LYS 12 12.887 -3.506 8.020 94 H LYS 13 HN LYS 13 14.584 -1.082 1.805 95 HA LYS 13 HA LYS 13 16.098 1.289 1.891 96 HB2 LYS 13 HB2 LYS 13 15.101 -0.305 -0.482 97 HB3 LYS 13 HB1 LYS 13 16.293 0.982 -0.578 98 HG2 LYS 13 HG2 LYS 13 17.917 -0.273 0.539 99 HG3 LYS 13 HG1 LYS 13 16.735 -1.430 1.148 100 HD2 LYS 13 HD2 LYS 13 18.132 -2.288 -0.739 101 HD3 LYS 13 HD1 LYS 13 16.394 -2.338 -1.046 102 HE2 LYS 13 HE2 LYS 13 17.652 -1.536 -2.992 103 HE3 LYS 13 HE1 LYS 13 16.535 -0.320 -2.371 104 HZ1 LYS 13 HZ1 LYS 13 19.456 -0.412 -1.826 105 HZ2 LYS 13 HZ2 LYS 13 18.382 0.767 -1.265 106 HZ3 LYS 13 HZ3 LYS 13 18.696 0.629 -2.922 107 H ALA 14 HN ALA 14 13.097 0.508 0.179 108 HA ALA 14 HA ALA 14 12.649 3.039 -0.942 109 HB1 ALA 14 HB1 ALA 14 10.580 0.981 -0.206 110 HB2 ALA 14 HB2 ALA 14 11.576 0.922 -1.659 111 HB3 ALA 14 HB3 ALA 14 10.433 2.248 -1.420 112 H ILE 15 HN ILE 15 11.477 1.563 2.038 113 HA ILE 15 HA ILE 15 9.699 3.500 2.847 114 HB ILE 15 HB ILE 15 11.394 1.514 4.302 115 HG12 ILE 15 HG12 ILE 15 9.352 0.937 2.954 116 HG13 ILE 15 HG11 ILE 15 9.310 0.424 4.642 117 HG21 ILE 15 HG21 ILE 15 9.577 2.325 6.200 118 HG22 ILE 15 HG22 ILE 15 10.163 3.843 5.528 119 HG23 ILE 15 HG23 ILE 15 11.301 2.684 6.201 120 HD11 ILE 15 HD11 ILE 15 8.010 2.545 5.115 121 HD12 ILE 15 HD12 ILE 15 7.167 1.304 4.193 122 HD13 ILE 15 HD13 ILE 15 7.843 2.709 3.369 123 H GLY 16 HN GLY 16 13.183 3.281 3.622 124 HA2 GLY 16 HA2 GLY 16 13.075 5.999 4.715 125 HA3 GLY 16 HA1 GLY 16 14.399 4.866 4.914 126 H ALA 17 HN ALA 17 13.720 4.692 1.714 127 HA ALA 17 HA ALA 17 16.056 6.109 0.975 128 HB1 ALA 17 HB1 ALA 17 15.148 5.751 -1.389 129 HB2 ALA 17 HB2 ALA 17 13.845 4.854 -0.611 130 HB3 ALA 17 HB3 ALA 17 15.517 4.325 -0.423 131 H PHE 18 HN PHE 18 12.626 6.860 0.359 132 HA PHE 18 HA PHE 18 13.328 9.661 0.284 133 HD1 PHE 18 HD1 PHE 18 11.177 6.852 -0.726 134 HD2 PHE 18 HD2 PHE 18 11.916 9.182 -4.209 135 HE1 PHE 18 HE1 PHE 18 9.714 5.369 -2.019 136 HE2 PHE 18 HE2 PHE 18 10.447 7.701 -5.507 137 HZ PHE 18 HZ PHE 18 9.345 5.793 -4.414 138 HB2 PHE 18 HB2 PHE 18 12.288 10.071 -1.858 139 HB3 PHE 18 HB1 PHE 18 13.574 8.888 -1.986 140 H THR 19 HN THR 19 12.098 10.627 1.664 141 HA THR 19 HA THR 19 9.605 9.571 2.549 142 HB THR 19 HB THR 19 10.850 12.274 3.093 143 HG1 THR 19 HG1 THR 19 11.627 11.274 4.962 144 HG21 THR 19 HG21 THR 19 9.365 12.360 5.021 145 HG22 THR 19 HG22 THR 19 8.663 10.807 4.571 146 HG23 THR 19 HG23 THR 19 8.429 12.215 3.534 147 H ALA 20 HN ALA 20 10.516 12.434 0.649 148 HA ALA 20 HA ALA 20 8.117 13.662 0.282 149 HB1 ALA 20 HB1 ALA 20 10.227 14.517 -0.596 150 HB2 ALA 20 HB2 ALA 20 8.973 14.504 -1.835 151 HB3 ALA 20 HB3 ALA 20 10.225 13.261 -1.835 152 H ALA 21 HN ALA 21 9.252 10.715 -1.280 153 HA ALA 21 HA ALA 21 7.217 10.535 -3.227 154 HB1 ALA 21 HB1 ALA 21 9.188 9.219 -3.479 155 HB2 ALA 21 HB2 ALA 21 7.824 8.117 -3.301 156 HB3 ALA 21 HB3 ALA 21 8.909 8.406 -1.940 157 H ASP 22 HN ASP 22 7.563 8.579 -0.287 158 HA ASP 22 HA ASP 22 4.928 7.636 -0.247 159 HB2 ASP 22 HB2 ASP 22 6.822 8.077 2.079 160 HB3 ASP 22 HB1 ASP 22 5.352 7.110 2.141 161 H SER 23 HN SER 23 6.362 10.606 0.799 162 HA SER 23 HA SER 23 4.216 11.540 2.401 163 HG SER 23 HG SER 23 5.578 14.574 2.715 164 HB2 SER 23 HB2 SER 23 6.227 12.596 2.908 165 HB3 SER 23 HB1 SER 23 6.699 12.744 1.215 166 H PHE 24 HN PHE 24 5.137 11.879 -0.978 167 HA PHE 24 HA PHE 24 2.859 13.630 -1.492 168 HD1 PHE 24 HD2 PHE 24 3.015 15.775 -2.968 169 HD2 PHE 24 HD1 PHE 24 4.198 12.547 -5.476 170 HE1 PHE 24 HE2 PHE 24 1.807 16.799 -4.850 171 HE2 PHE 24 HE1 PHE 24 2.993 13.566 -7.363 172 HZ PHE 24 HZ PHE 24 1.794 15.695 -7.051 173 HB2 PHE 24 HB2 PHE 24 5.026 14.233 -2.479 174 HB3 PHE 24 HB1 PHE 24 5.066 12.696 -3.337 175 H ASP 25 HN ASP 25 4.240 10.784 -3.156 176 HA ASP 25 HA ASP 25 1.548 9.655 -3.365 177 HB2 ASP 25 HB2 ASP 25 2.093 11.021 -5.435 178 HB3 ASP 25 HB1 ASP 25 3.359 9.837 -5.775 179 H HIS 26 HN HIS 26 1.607 7.607 -2.724 180 HA HIS 26 HA HIS 26 4.059 6.210 -2.362 181 HD1 HIS 26 HD1 HIS 26 0.585 6.910 -0.209 182 HD2 HIS 26 HD2 HIS 26 4.169 4.901 0.411 183 HE1 HIS 26 HE1 HIS 26 1.230 7.404 2.170 184 HE2 HIS 26 HE2 HIS 26 3.422 6.211 2.512 185 HB2 HIS 26 HB2 HIS 26 1.179 5.348 -2.104 186 HB3 HIS 26 HB1 HIS 26 2.520 4.241 -1.847 187 H LYS 27 HN LYS 27 2.210 6.713 -5.138 188 HA LYS 27 HA LYS 27 2.134 4.417 -6.559 189 HB2 LYS 27 HB2 LYS 27 2.386 7.236 -7.158 190 HB3 LYS 27 HB1 LYS 27 3.234 6.275 -8.349 191 HG2 LYS 27 HG2 LYS 27 0.890 6.820 -8.941 192 HG3 LYS 27 HG1 LYS 27 1.276 5.104 -8.941 193 HD2 LYS 27 HD2 LYS 27 0.368 5.181 -6.499 194 HD3 LYS 27 HD1 LYS 27 -0.418 6.664 -7.048 195 HE2 LYS 27 HE2 LYS 27 -0.689 3.916 -8.255 196 HE3 LYS 27 HE1 LYS 27 -1.923 4.803 -7.355 197 HZ1 LYS 27 HZ1 LYS 27 -2.142 4.863 -9.833 198 HZ2 LYS 27 HZ2 LYS 27 -0.733 5.801 -9.882 199 HZ3 LYS 27 HZ3 LYS 27 -2.110 6.381 -9.086 200 H LYS 28 HN LYS 28 4.862 6.652 -6.613 201 HA LYS 28 HA LYS 28 6.677 4.957 -7.910 202 HB2 LYS 28 HB2 LYS 28 7.060 7.298 -6.045 203 HB3 LYS 28 HB1 LYS 28 8.413 6.490 -6.831 204 HG2 LYS 28 HG2 LYS 28 6.113 7.753 -8.306 205 HG3 LYS 28 HG1 LYS 28 7.645 8.561 -7.971 206 HD2 LYS 28 HD2 LYS 28 8.274 7.737 -9.963 207 HD3 LYS 28 HD1 LYS 28 8.490 6.222 -9.086 208 HE2 LYS 28 HE2 LYS 28 6.202 5.565 -9.683 209 HE3 LYS 28 HE1 LYS 28 6.002 7.076 -10.566 210 HZ1 LYS 28 HZ1 LYS 28 7.938 4.914 -11.197 211 HZ2 LYS 28 HZ2 LYS 28 7.840 6.391 -12.017 212 HZ3 LYS 28 HZ3 LYS 28 6.545 5.304 -12.077 213 H PHE 29 HN PHE 29 6.235 5.634 -4.451 214 HA PHE 29 HA PHE 29 8.226 3.994 -3.448 215 HD1 PHE 29 HD2 PHE 29 8.825 4.208 -0.737 216 HD2 PHE 29 HD1 PHE 29 4.818 2.829 -1.064 217 HE1 PHE 29 HE2 PHE 29 9.193 2.696 1.164 218 HE2 PHE 29 HE1 PHE 29 5.186 1.312 0.845 219 HZ PHE 29 HZ PHE 29 7.374 1.245 1.957 220 HB2 PHE 29 HB2 PHE 29 7.037 5.479 -1.974 221 HB3 PHE 29 HB1 PHE 29 5.508 4.671 -2.310 222 H PHE 30 HN PHE 30 4.965 3.198 -4.501 223 HA PHE 30 HA PHE 30 4.713 0.593 -3.618 224 HD1 PHE 30 HD1 PHE 30 3.230 -1.406 -5.741 225 HD2 PHE 30 HD2 PHE 30 1.493 1.953 -3.789 226 HE1 PHE 30 HE1 PHE 30 1.402 -2.832 -4.924 227 HE2 PHE 30 HE2 PHE 30 -0.339 0.531 -2.966 228 HZ PHE 30 HZ PHE 30 -0.387 -1.864 -3.534 229 HB2 PHE 30 HB2 PHE 30 3.273 2.273 -5.246 230 HB3 PHE 30 HB1 PHE 30 3.773 1.012 -6.365 231 H GLN 31 HN GLN 31 6.569 1.912 -6.224 232 HA GLN 31 HA GLN 31 7.240 -0.649 -7.384 233 HB2 GLN 31 HB2 GLN 31 8.611 1.917 -8.063 234 HB3 GLN 31 HB1 GLN 31 8.238 0.558 -9.107 235 HG2 GLN 31 HG2 GLN 31 5.828 1.188 -8.924 236 HG3 GLN 31 HG1 GLN 31 6.329 2.627 -8.044 237 HE21 GLN 31 HE21 GLN 31 4.924 2.477 -10.548 238 HE22 GLN 31 HE22 GLN 31 5.903 3.277 -11.722 239 H MET 32 HN MET 32 8.846 1.854 -5.482 240 HA MET 32 HA MET 32 11.390 0.567 -5.453 241 HB2 MET 32 HB2 MET 32 10.617 2.447 -3.294 242 HB3 MET 32 HB1 MET 32 12.131 2.313 -4.176 243 HG2 MET 32 HG2 MET 32 9.572 3.600 -5.021 244 HG3 MET 32 HG1 MET 32 11.170 4.319 -4.841 245 HE1 MET 32 HE1 MET 32 13.103 2.747 -7.876 246 HE2 MET 32 HE2 MET 32 12.982 2.055 -6.259 247 HE3 MET 32 HE3 MET 32 13.219 3.791 -6.459 248 H VAL 33 HN VAL 33 8.586 0.559 -3.377 249 HA VAL 33 HA VAL 33 9.735 -0.692 -1.133 250 HB VAL 33 HB VAL 33 7.622 0.490 -0.940 251 HG11 VAL 33 HG11 VAL 33 6.101 -1.679 -2.275 252 HG12 VAL 33 HG12 VAL 33 6.924 -0.515 -3.309 253 HG13 VAL 33 HG13 VAL 33 5.734 0.038 -2.129 254 HG21 VAL 33 HG21 VAL 33 8.009 -1.217 0.697 255 HG22 VAL 33 HG22 VAL 33 7.400 -2.444 -0.408 256 HG23 VAL 33 HG23 VAL 33 6.301 -1.237 0.251 257 H GLY 34 HN GLY 34 8.661 -1.910 -4.156 258 HA2 GLY 34 HA2 GLY 34 9.264 -4.035 -4.981 259 HA3 GLY 34 HA1 GLY 34 9.492 -4.584 -3.331 260 H LEU 35 HN LEU 35 6.574 -2.884 -3.835 261 HA LEU 35 HA LEU 35 4.984 -5.137 -3.184 262 HG LEU 35 HG LEU 35 4.486 -3.400 -1.555 263 HB2 LEU 35 HB2 LEU 35 4.494 -2.318 -3.961 264 HB3 LEU 35 HB1 LEU 35 3.179 -3.440 -4.237 265 HD11 LEU 35 HD11 LEU 35 2.396 -1.425 -2.474 266 HD12 LEU 35 HD12 LEU 35 4.070 -1.040 -2.070 267 HD13 LEU 35 HD13 LEU 35 2.975 -1.633 -0.820 268 HD21 LEU 35 HD21 LEU 35 2.913 -5.049 -1.606 269 HD22 LEU 35 HD22 LEU 35 1.919 -4.205 -2.791 270 HD23 LEU 35 HD23 LEU 35 1.899 -3.693 -1.102 271 H LYS 36 HN LYS 36 5.937 -3.573 -6.144 272 HA LYS 36 HA LYS 36 4.242 -5.175 -7.823 273 HB2 LYS 36 HB2 LYS 36 6.519 -3.282 -8.388 274 HB3 LYS 36 HB1 LYS 36 5.697 -4.178 -9.658 275 HG2 LYS 36 HG2 LYS 36 3.889 -2.844 -9.605 276 HG3 LYS 36 HG1 LYS 36 3.917 -2.715 -7.844 277 HD2 LYS 36 HD2 LYS 36 4.359 -0.564 -9.164 278 HD3 LYS 36 HD1 LYS 36 5.499 -0.978 -7.895 279 HE2 LYS 36 HE2 LYS 36 6.525 -0.189 -10.031 280 HE3 LYS 36 HE1 LYS 36 7.098 -1.760 -9.481 281 HZ1 LYS 36 HZ1 LYS 36 5.059 -1.284 -11.588 282 HZ2 LYS 36 HZ2 LYS 36 5.563 -2.803 -11.045 283 HZ3 LYS 36 HZ3 LYS 36 6.654 -1.786 -11.844 284 H LYS 37 HN LYS 37 7.357 -5.473 -6.375 285 HA LYS 37 HA LYS 37 8.759 -7.118 -8.072 286 HB2 LYS 37 HB2 LYS 37 9.420 -6.177 -5.767 287 HB3 LYS 37 HB1 LYS 37 8.660 -7.610 -5.093 288 HG2 LYS 37 HG2 LYS 37 10.971 -7.562 -7.021 289 HG3 LYS 37 HG1 LYS 37 11.054 -7.906 -5.294 290 HD2 LYS 37 HD2 LYS 37 9.496 -9.835 -5.712 291 HD3 LYS 37 HD1 LYS 37 9.715 -9.543 -7.438 292 HE2 LYS 37 HE2 LYS 37 11.882 -10.203 -5.450 293 HE3 LYS 37 HE1 LYS 37 11.214 -11.296 -6.663 294 HZ1 LYS 37 HZ1 LYS 37 12.048 -9.820 -8.390 295 HZ2 LYS 37 HZ2 LYS 37 13.309 -10.346 -7.392 296 HZ3 LYS 37 HZ3 LYS 37 12.693 -8.780 -7.221 297 H LYS 38 HN LYS 38 6.543 -8.173 -5.491 298 HA LYS 38 HA LYS 38 6.435 -10.845 -6.649 299 HB2 LYS 38 HB2 LYS 38 5.278 -9.676 -4.117 300 HB3 LYS 38 HB1 LYS 38 5.012 -11.335 -4.630 301 HG2 LYS 38 HG2 LYS 38 7.780 -10.247 -4.274 302 HG3 LYS 38 HG1 LYS 38 6.850 -10.869 -2.909 303 HD2 LYS 38 HD2 LYS 38 7.798 -12.830 -3.484 304 HD3 LYS 38 HD1 LYS 38 6.515 -12.873 -4.692 305 HE2 LYS 38 HE2 LYS 38 8.032 -11.868 -6.331 306 HE3 LYS 38 HE1 LYS 38 9.311 -11.823 -5.121 307 HZ1 LYS 38 HZ1 LYS 38 7.998 -14.284 -6.141 308 HZ2 LYS 38 HZ2 LYS 38 9.252 -14.228 -5.006 309 HZ3 LYS 38 HZ3 LYS 38 9.529 -13.728 -6.599 310 H SER 39 HN SER 39 4.241 -11.896 -6.784 311 HA SER 39 HA SER 39 2.603 -10.397 -8.553 312 HG SER 39 HG SER 39 2.585 -12.995 -6.255 313 HB2 SER 39 HB2 SER 39 1.168 -12.375 -8.597 314 HB3 SER 39 HB1 SER 39 2.861 -12.856 -8.704 315 H ALA 40 HN ALA 40 0.302 -9.959 -8.275 316 HA ALA 40 HA ALA 40 -0.272 -8.382 -6.076 317 HB1 ALA 40 HB1 ALA 40 -2.738 -8.920 -6.853 318 HB2 ALA 40 HB2 ALA 40 -1.893 -9.649 -8.221 319 HB3 ALA 40 HB3 ALA 40 -1.653 -7.943 -7.843 320 H ASP 41 HN ASP 41 -0.524 -11.822 -6.451 321 HA ASP 41 HA ASP 41 -2.362 -12.329 -4.354 322 HB2 ASP 41 HB2 ASP 41 -0.240 -14.072 -5.618 323 HB3 ASP 41 HB1 ASP 41 -1.404 -14.654 -4.432 324 H ASP 42 HN ASP 42 1.169 -12.151 -4.487 325 HA ASP 42 HA ASP 42 1.624 -12.960 -1.815 326 HB2 ASP 42 HB2 ASP 42 3.318 -11.263 -3.661 327 HB3 ASP 42 HB1 ASP 42 3.872 -11.949 -2.137 328 H VAL 43 HN VAL 43 1.599 -9.723 -3.306 329 HA VAL 43 HA VAL 43 1.997 -8.218 -1.008 330 HB VAL 43 HB VAL 43 0.899 -6.361 -2.197 331 HG11 VAL 43 HG11 VAL 43 2.818 -8.092 -3.719 332 HG12 VAL 43 HG12 VAL 43 3.145 -6.617 -2.805 333 HG13 VAL 43 HG13 VAL 43 2.284 -6.533 -4.342 334 HG21 VAL 43 HG21 VAL 43 0.122 -8.496 -4.177 335 HG22 VAL 43 HG22 VAL 43 -0.022 -6.762 -4.462 336 HG23 VAL 43 HG23 VAL 43 -0.965 -7.526 -3.184 337 H LYS 44 HN LYS 44 -0.958 -9.553 -2.364 338 HA LYS 44 HA LYS 44 -2.907 -8.302 -0.885 339 HB2 LYS 44 HB2 LYS 44 -2.647 -11.012 -2.098 340 HB3 LYS 44 HB1 LYS 44 -3.996 -10.722 -1.011 341 HG2 LYS 44 HG2 LYS 44 -4.877 -9.028 -2.405 342 HG3 LYS 44 HG1 LYS 44 -3.404 -8.969 -3.378 343 HD2 LYS 44 HD2 LYS 44 -3.860 -11.018 -4.406 344 HD3 LYS 44 HD1 LYS 44 -5.014 -11.492 -3.159 345 HE2 LYS 44 HE2 LYS 44 -6.614 -9.897 -3.946 346 HE3 LYS 44 HE1 LYS 44 -5.447 -9.200 -5.066 347 HZ1 LYS 44 HZ1 LYS 44 -6.535 -11.961 -5.201 348 HZ2 LYS 44 HZ2 LYS 44 -5.426 -11.286 -6.284 349 HZ3 LYS 44 HZ3 LYS 44 -6.999 -10.671 -6.192 350 H LYS 45 HN LYS 45 -0.656 -10.751 0.141 351 HA LYS 45 HA LYS 45 -2.025 -11.693 2.402 352 HB2 LYS 45 HB2 LYS 45 0.862 -11.652 1.594 353 HB3 LYS 45 HB1 LYS 45 0.397 -12.209 3.196 354 HG2 LYS 45 HG2 LYS 45 -1.129 -13.850 2.107 355 HG3 LYS 45 HG1 LYS 45 -0.463 -13.355 0.550 356 HD2 LYS 45 HD2 LYS 45 1.742 -14.078 1.220 357 HD3 LYS 45 HD1 LYS 45 1.158 -14.464 2.840 358 HE2 LYS 45 HE2 LYS 45 -0.338 -16.159 1.876 359 HE3 LYS 45 HE1 LYS 45 0.287 -15.784 0.270 360 HZ1 LYS 45 HZ1 LYS 45 2.486 -16.478 1.016 361 HZ2 LYS 45 HZ2 LYS 45 1.362 -17.732 1.178 362 HZ3 LYS 45 HZ3 LYS 45 1.865 -16.867 2.541 363 H VAL 46 HN VAL 46 0.440 -9.127 2.064 364 HA VAL 46 HA VAL 46 0.513 -8.412 4.752 365 HB VAL 46 HB VAL 46 1.967 -7.608 2.741 366 HG11 VAL 46 HG11 VAL 46 1.444 -5.623 1.671 367 HG12 VAL 46 HG12 VAL 46 0.251 -5.168 2.888 368 HG13 VAL 46 HG13 VAL 46 -0.119 -6.440 1.727 369 HG21 VAL 46 HG21 VAL 46 1.511 -5.371 4.600 370 HG22 VAL 46 HG22 VAL 46 2.986 -6.232 4.172 371 HG23 VAL 46 HG23 VAL 46 1.858 -6.944 5.319 372 H PHE 47 HN PHE 47 -1.842 -7.820 2.275 373 HA PHE 47 HA PHE 47 -3.159 -5.609 3.245 374 HD1 PHE 47 HD2 PHE 47 -4.191 -4.328 1.522 375 HD2 PHE 47 HD1 PHE 47 -6.885 -7.528 2.279 376 HE1 PHE 47 HE2 PHE 47 -6.083 -2.770 1.331 377 HE2 PHE 47 HE1 PHE 47 -8.789 -5.973 2.104 378 HZ PHE 47 HZ PHE 47 -8.386 -3.592 1.623 379 HB2 PHE 47 HB2 PHE 47 -3.660 -6.910 1.123 380 HB3 PHE 47 HB1 PHE 47 -4.625 -7.974 2.141 381 H HIS 48 HN HIS 48 -3.630 -9.017 4.091 382 HA HIS 48 HA HIS 48 -5.660 -8.481 6.024 383 HD1 HIS 48 HD1 HIS 48 -7.601 -11.170 6.071 384 HD2 HIS 48 HD2 HIS 48 -4.264 -11.413 8.534 385 HE1 HIS 48 HE1 HIS 48 -8.423 -12.189 8.216 386 HE2 HIS 48 HE2 HIS 48 -6.405 -12.243 9.724 387 HB2 HIS 48 HB2 HIS 48 -5.440 -10.669 4.859 388 HB3 HIS 48 HB1 HIS 48 -3.934 -10.950 5.725 389 H ILE 49 HN ILE 49 -2.184 -8.923 6.089 390 HA ILE 49 HA ILE 49 -1.702 -9.163 8.796 391 HB ILE 49 HB ILE 49 -0.134 -7.469 6.840 392 HG12 ILE 49 HG12 ILE 49 -0.386 -9.720 5.974 393 HG13 ILE 49 HG11 ILE 49 1.261 -9.510 6.558 394 HG21 ILE 49 HG21 ILE 49 0.471 -7.035 9.156 395 HG22 ILE 49 HG22 ILE 49 1.765 -7.898 8.327 396 HG23 ILE 49 HG23 ILE 49 0.702 -8.762 9.437 397 HD11 ILE 49 HD11 ILE 49 0.680 -10.706 8.606 398 HD12 ILE 49 HD12 ILE 49 0.392 -11.680 7.163 399 HD13 ILE 49 HD13 ILE 49 -0.963 -10.926 8.002 400 H LEU 50 HN LEU 50 -2.058 -6.224 6.867 401 HA LEU 50 HA LEU 50 -2.134 -4.547 9.214 402 HG LEU 50 HG LEU 50 -2.907 -4.774 5.637 403 HB2 LEU 50 HB2 LEU 50 -2.064 -2.745 7.646 404 HB3 LEU 50 HB1 LEU 50 -0.904 -3.961 7.165 405 HD11 LEU 50 HD11 LEU 50 -3.443 -1.832 6.024 406 HD12 LEU 50 HD12 LEU 50 -4.541 -3.165 6.379 407 HD13 LEU 50 HD13 LEU 50 -4.096 -2.809 4.711 408 HD21 LEU 50 HD21 LEU 50 -1.927 -3.486 3.820 409 HD22 LEU 50 HD22 LEU 50 -0.673 -4.114 4.890 410 HD23 LEU 50 HD23 LEU 50 -1.143 -2.416 4.983 411 H ASP 51 HN ASP 51 -4.376 -5.764 6.761 412 HA ASP 51 HA ASP 51 -6.505 -4.173 7.991 413 HB2 ASP 51 HB2 ASP 51 -7.398 -3.903 5.943 414 HB3 ASP 51 HB1 ASP 51 -5.824 -4.429 5.380 415 H LYS 52 HN LYS 52 -6.323 -5.684 9.809 416 HA LYS 52 HA LYS 52 -7.245 -8.367 9.518 417 HB2 LYS 52 HB2 LYS 52 -6.959 -8.553 11.878 418 HB3 LYS 52 HB1 LYS 52 -5.615 -7.618 11.242 419 HG2 LYS 52 HG2 LYS 52 -6.099 -6.371 13.064 420 HG3 LYS 52 HG1 LYS 52 -7.166 -5.589 11.904 421 HD2 LYS 52 HD2 LYS 52 -8.419 -5.970 13.904 422 HD3 LYS 52 HD1 LYS 52 -8.993 -7.117 12.693 423 HE2 LYS 52 HE2 LYS 52 -7.630 -8.871 13.675 424 HE3 LYS 52 HE1 LYS 52 -6.981 -7.732 14.853 425 HZ1 LYS 52 HZ1 LYS 52 -9.834 -8.522 14.620 426 HZ2 LYS 52 HZ2 LYS 52 -9.191 -7.462 15.769 427 HZ3 LYS 52 HZ3 LYS 52 -8.751 -9.093 15.788 428 H ASP 53 HN ASP 53 -8.651 -5.347 10.750 429 HA ASP 53 HA ASP 53 -11.264 -6.699 10.810 430 HB2 ASP 53 HB2 ASP 53 -10.483 -5.937 13.027 431 HB3 ASP 53 HB1 ASP 53 -10.386 -4.290 12.414 432 H LYS 54 HN LYS 54 -9.849 -5.199 8.558 433 HA LYS 54 HA LYS 54 -10.960 -2.725 8.063 434 HB2 LYS 54 HB2 LYS 54 -10.466 -3.010 5.818 435 HB3 LYS 54 HB1 LYS 54 -9.320 -4.072 6.616 436 HG2 LYS 54 HG2 LYS 54 -11.924 -5.053 5.480 437 HG3 LYS 54 HG1 LYS 54 -10.446 -4.980 4.538 438 HD2 LYS 54 HD2 LYS 54 -9.393 -6.369 6.384 439 HD3 LYS 54 HD1 LYS 54 -11.028 -6.629 6.983 440 HE2 LYS 54 HE2 LYS 54 -11.654 -7.571 4.796 441 HE3 LYS 54 HE1 LYS 54 -9.996 -7.350 4.243 442 HZ1 LYS 54 HZ1 LYS 54 -9.256 -8.869 5.969 443 HZ2 LYS 54 HZ2 LYS 54 -10.393 -9.618 4.966 444 HZ3 LYS 54 HZ3 LYS 54 -10.848 -9.079 6.503 445 H SER 55 HN SER 55 -12.439 -5.829 8.043 446 HA SER 55 HA SER 55 -14.635 -6.458 8.066 447 HG SER 55 HG SER 55 -15.631 -4.653 10.074 448 HB2 SER 55 HB2 SER 55 -15.343 -3.562 7.554 449 HB3 SER 55 HB1 SER 55 -16.425 -4.831 8.119 450 H GLY 56 HN GLY 56 -13.030 -6.616 5.781 451 HA2 GLY 56 HA2 GLY 56 -13.558 -7.548 3.683 452 HA3 GLY 56 HA1 GLY 56 -15.109 -6.727 3.732 453 H PHE 57 HN PHE 57 -13.379 -4.261 4.565 454 HA PHE 57 HA PHE 57 -11.865 -3.613 2.233 455 HD1 PHE 57 HD1 PHE 57 -12.603 -2.876 -0.450 456 HD2 PHE 57 HD2 PHE 57 -15.907 -4.160 1.904 457 HE1 PHE 57 HE1 PHE 57 -13.379 -4.280 -2.315 458 HE2 PHE 57 HE2 PHE 57 -16.691 -5.566 0.043 459 HZ PHE 57 HZ PHE 57 -15.426 -5.628 -2.070 460 HB2 PHE 57 HB2 PHE 57 -14.580 -2.325 2.603 461 HB3 PHE 57 HB1 PHE 57 -13.316 -1.650 1.570 462 H ILE 58 HN ILE 58 -10.617 -1.788 2.535 463 HA ILE 58 HA ILE 58 -10.754 -0.616 5.235 464 HB ILE 58 HB ILE 58 -8.406 -0.150 3.445 465 HG12 ILE 58 HG12 ILE 58 -8.710 -2.677 5.082 466 HG13 ILE 58 HG11 ILE 58 -8.916 -2.618 3.334 467 HG21 ILE 58 HG21 ILE 58 -7.260 -0.380 5.700 468 HG22 ILE 58 HG22 ILE 58 -8.876 -0.428 6.400 469 HG23 ILE 58 HG23 ILE 58 -8.348 0.993 5.503 470 HD11 ILE 58 HD11 ILE 58 -6.595 -1.836 3.121 471 HD12 ILE 58 HD12 ILE 58 -6.719 -3.417 3.886 472 HD13 ILE 58 HD13 ILE 58 -6.407 -1.986 4.867 473 H GLU 59 HN GLU 59 -10.775 1.553 5.518 474 HA GLU 59 HA GLU 59 -11.752 3.016 3.184 475 HB2 GLU 59 HB2 GLU 59 -12.176 3.122 6.106 476 HB3 GLU 59 HB1 GLU 59 -12.329 4.636 5.205 477 HG2 GLU 59 HG2 GLU 59 -14.496 3.654 5.408 478 HG3 GLU 59 HG1 GLU 59 -13.980 3.502 3.729 479 H GLU 60 HN GLU 60 -10.495 4.324 2.225 480 HA GLU 60 HA GLU 60 -7.918 4.947 2.601 481 HB2 GLU 60 HB2 GLU 60 -8.409 7.076 1.342 482 HB3 GLU 60 HB1 GLU 60 -8.989 5.589 0.595 483 HG2 GLU 60 HG2 GLU 60 -11.151 6.123 0.878 484 HG3 GLU 60 HG1 GLU 60 -10.842 6.873 2.443 485 H ASP 61 HN ASP 61 -10.598 6.429 4.303 486 HA ASP 61 HA ASP 61 -9.235 8.708 5.237 487 HB2 ASP 61 HB2 ASP 61 -11.533 7.190 6.507 488 HB3 ASP 61 HB1 ASP 61 -11.009 8.808 6.968 489 H GLU 62 HN GLU 62 -9.852 5.564 6.778 490 HA GLU 62 HA GLU 62 -7.885 6.146 8.860 491 HB2 GLU 62 HB2 GLU 62 -8.652 4.085 9.901 492 HB3 GLU 62 HB1 GLU 62 -10.032 5.091 9.484 493 HG2 GLU 62 HG2 GLU 62 -10.424 3.729 7.494 494 HG3 GLU 62 HG1 GLU 62 -9.046 2.717 7.919 495 H LEU 63 HN LEU 63 -8.088 4.622 5.818 496 HA LEU 63 HA LEU 63 -6.318 2.528 5.959 497 HG LEU 63 HG LEU 63 -5.065 2.894 2.751 498 HB2 LEU 63 HB2 LEU 63 -7.705 3.403 3.969 499 HB3 LEU 63 HB1 LEU 63 -6.364 4.495 3.686 500 HD11 LEU 63 HD11 LEU 63 -4.829 0.628 3.460 501 HD12 LEU 63 HD12 LEU 63 -6.299 0.720 4.427 502 HD13 LEU 63 HD13 LEU 63 -4.874 1.639 4.905 503 HD21 LEU 63 HD21 LEU 63 -6.383 2.069 1.170 504 HD22 LEU 63 HD22 LEU 63 -7.775 2.540 2.146 505 HD23 LEU 63 HD23 LEU 63 -7.098 0.920 2.299 506 H GLY 64 HN GLY 64 -5.732 5.958 5.684 507 HA2 GLY 64 HA2 GLY 64 -2.958 5.909 5.320 508 HA3 GLY 64 HA1 GLY 64 -3.862 7.238 6.030 509 H SER 65 HN SER 65 -4.809 5.088 8.057 510 HA SER 65 HA SER 65 -2.689 5.618 9.964 511 HG SER 65 HG SER 65 -4.652 6.886 10.877 512 HB2 SER 65 HB2 SER 65 -5.336 4.187 10.321 513 HB3 SER 65 HB1 SER 65 -4.277 4.754 11.610 514 H ILE 66 HN ILE 66 -4.539 2.820 8.847 515 HA ILE 66 HA ILE 66 -2.873 0.874 10.018 516 HB ILE 66 HB ILE 66 -5.260 0.590 9.289 517 HG12 ILE 66 HG12 ILE 66 -5.060 -1.730 8.866 518 HG13 ILE 66 HG11 ILE 66 -3.466 -1.545 8.146 519 HG21 ILE 66 HG21 ILE 66 -4.007 0.266 6.571 520 HG22 ILE 66 HG22 ILE 66 -5.079 1.568 7.090 521 HG23 ILE 66 HG23 ILE 66 -5.688 -0.082 6.981 522 HD11 ILE 66 HD11 ILE 66 -3.792 -2.427 10.617 523 HD12 ILE 66 HD12 ILE 66 -3.815 -0.701 10.969 524 HD13 ILE 66 HD13 ILE 66 -2.419 -1.420 10.164 525 H LEU 67 HN LEU 67 -2.437 2.792 7.226 526 HA LEU 67 HA LEU 67 -0.943 1.111 5.525 527 HG LEU 67 HG LEU 67 -1.542 4.020 3.470 528 HB2 LEU 67 HB2 LEU 67 -1.506 3.946 5.857 529 HB3 LEU 67 HB1 LEU 67 0.128 3.663 5.290 530 HD11 LEU 67 HD11 LEU 67 -0.205 1.340 3.534 531 HD12 LEU 67 HD12 LEU 67 0.527 2.869 3.042 532 HD13 LEU 67 HD13 LEU 67 -0.785 2.171 2.091 533 HD21 LEU 67 HD21 LEU 67 -3.534 3.054 3.935 534 HD22 LEU 67 HD22 LEU 67 -2.801 1.712 4.813 535 HD23 LEU 67 HD23 LEU 67 -2.809 1.712 3.050 536 H LYS 68 HN LYS 68 -0.168 2.552 8.552 537 HA LYS 68 HA LYS 68 2.563 2.828 8.433 538 HB2 LYS 68 HB2 LYS 68 0.916 1.774 10.733 539 HB3 LYS 68 HB1 LYS 68 2.541 2.445 10.854 540 HG2 LYS 68 HG2 LYS 68 1.826 4.600 10.462 541 HG3 LYS 68 HG1 LYS 68 0.358 4.075 9.630 542 HD2 LYS 68 HD2 LYS 68 -0.270 4.969 11.766 543 HD3 LYS 68 HD1 LYS 68 -0.478 3.218 11.827 544 HE2 LYS 68 HE2 LYS 68 1.665 2.998 12.977 545 HE3 LYS 68 HE1 LYS 68 1.895 4.745 12.898 546 HZ1 LYS 68 HZ1 LYS 68 -0.084 5.023 14.264 547 HZ2 LYS 68 HZ2 LYS 68 1.068 4.071 15.057 548 HZ3 LYS 68 HZ3 LYS 68 -0.286 3.345 14.350 549 H GLY 69 HN GLY 69 0.700 -0.082 8.232 550 HA2 GLY 69 HA2 GLY 69 2.309 -2.066 9.162 551 HA3 GLY 69 HA1 GLY 69 1.419 -2.201 7.651 552 H PHE 70 HN PHE 70 2.674 -0.495 5.973 553 HA PHE 70 HA PHE 70 5.314 -1.704 5.752 554 HD1 PHE 70 HD2 PHE 70 5.454 1.536 3.677 555 HD2 PHE 70 HD1 PHE 70 1.989 -0.719 2.696 556 HE1 PHE 70 HE2 PHE 70 4.545 3.480 2.506 557 HE2 PHE 70 HE1 PHE 70 1.072 1.242 1.492 558 HZ PHE 70 HZ PHE 70 2.354 3.331 1.405 559 HB2 PHE 70 HB2 PHE 70 5.303 -1.159 3.461 560 HB3 PHE 70 HB1 PHE 70 3.714 -1.782 3.797 561 H SER 71 HN SER 71 3.724 1.376 5.714 562 HA SER 71 HA SER 71 5.997 3.015 5.531 563 HG SER 71 HG SER 71 2.133 3.705 5.699 564 HB2 SER 71 HB2 SER 71 4.334 4.796 6.323 565 HB3 SER 71 HB1 SER 71 4.032 3.988 4.782 566 H SER 72 HN SER 72 5.309 1.115 8.112 567 HA SER 72 HA SER 72 5.253 2.636 10.371 568 HG SER 72 HG SER 72 7.472 1.329 11.862 569 HB2 SER 72 HB2 SER 72 5.304 0.190 10.429 570 HB3 SER 72 HB1 SER 72 6.990 0.198 9.915 571 H ASP 73 HN ASP 73 7.888 2.429 8.097 572 HA ASP 73 HA ASP 73 9.396 4.307 9.782 573 HB2 ASP 73 HB2 ASP 73 10.544 2.198 9.753 574 HB3 ASP 73 HB1 ASP 73 10.518 2.153 7.994 575 H ALA 74 HN ALA 74 7.411 4.645 7.547 576 HA ALA 74 HA ALA 74 9.035 6.410 5.861 577 HB1 ALA 74 HB1 ALA 74 6.845 4.611 4.820 578 HB2 ALA 74 HB2 ALA 74 8.571 4.328 4.615 579 HB3 ALA 74 HB3 ALA 74 7.817 5.737 3.873 580 H ARG 75 HN ARG 75 6.215 6.750 4.386 581 HA ARG 75 HA ARG 75 5.246 8.730 6.331 582 HE ARG 75 HE ARG 75 4.334 11.767 4.707 583 HB2 ARG 75 HB2 ARG 75 5.101 8.679 3.320 584 HB3 ARG 75 HB1 ARG 75 4.180 9.805 4.311 585 HG2 ARG 75 HG2 ARG 75 7.176 9.573 4.391 586 HG3 ARG 75 HG1 ARG 75 6.300 10.723 3.380 587 HD2 ARG 75 HD2 ARG 75 6.109 10.540 6.387 588 HD3 ARG 75 HD1 ARG 75 7.075 11.723 5.498 589 HH11 ARG 75 HH11 ARG 75 6.563 12.839 7.161 590 HH12 ARG 75 HH12 ARG 75 5.605 14.208 7.616 591 HH21 ARG 75 HH21 ARG 75 3.067 13.567 5.297 592 HH22 ARG 75 HH22 ARG 75 3.617 14.620 6.556 593 H ASP 76 HN ASP 76 2.884 9.228 6.142 594 HA ASP 76 HA ASP 76 1.411 6.681 5.979 595 HB2 ASP 76 HB2 ASP 76 -0.170 7.674 7.573 596 HB3 ASP 76 HB1 ASP 76 1.471 7.663 8.212 597 H LEU 77 HN LEU 77 0.068 6.430 4.397 598 HA LEU 77 HA LEU 77 -0.630 8.063 2.343 599 HG LEU 77 HG LEU 77 -3.173 5.417 1.474 600 HB2 LEU 77 HB2 LEU 77 -1.131 5.799 2.238 601 HB3 LEU 77 HB1 LEU 77 -1.953 5.798 3.768 602 HD11 LEU 77 HD11 LEU 77 -4.337 6.908 3.795 603 HD12 LEU 77 HD12 LEU 77 -4.240 5.171 3.556 604 HD13 LEU 77 HD13 LEU 77 -5.271 6.144 2.513 605 HD21 LEU 77 HD21 LEU 77 -4.459 7.538 0.957 606 HD22 LEU 77 HD22 LEU 77 -2.849 7.340 0.284 607 HD23 LEU 77 HD23 LEU 77 -3.105 8.389 1.670 608 H SER 78 HN SER 78 -0.985 10.170 2.890 609 HA SER 78 HA SER 78 -3.189 10.851 4.687 610 HG SER 78 HG SER 78 0.138 11.758 4.773 611 HB2 SER 78 HB2 SER 78 -1.160 12.693 3.400 612 HB3 SER 78 HB1 SER 78 -2.263 13.089 4.717 613 H ALA 79 HN ALA 79 -3.840 13.361 3.647 614 HA ALA 79 HA ALA 79 -5.916 12.858 1.944 615 HB1 ALA 79 HB1 ALA 79 -6.016 15.213 1.519 616 HB2 ALA 79 HB2 ALA 79 -4.314 15.405 1.948 617 HB3 ALA 79 HB3 ALA 79 -5.496 14.973 3.188 618 H LYS 80 HN LYS 80 -2.701 14.063 0.958 619 HA LYS 80 HA LYS 80 -3.132 14.228 -1.766 620 HB2 LYS 80 HB2 LYS 80 -0.595 13.358 -0.372 621 HB3 LYS 80 HB1 LYS 80 -0.698 13.918 -2.034 622 HG2 LYS 80 HG2 LYS 80 -1.494 16.100 -1.227 623 HG3 LYS 80 HG1 LYS 80 -1.315 15.529 0.434 624 HD2 LYS 80 HD2 LYS 80 1.085 15.165 0.030 625 HD3 LYS 80 HD1 LYS 80 0.892 15.787 -1.611 626 HE2 LYS 80 HE2 LYS 80 0.372 17.310 0.941 627 HE3 LYS 80 HE1 LYS 80 1.772 17.502 -0.112 628 HZ1 LYS 80 HZ1 LYS 80 0.283 18.215 -1.887 629 HZ2 LYS 80 HZ2 LYS 80 0.138 19.216 -0.532 630 HZ3 LYS 80 HZ3 LYS 80 -1.049 18.056 -0.855 631 H GLU 81 HN GLU 81 -1.777 11.438 -0.023 632 HA GLU 81 HA GLU 81 -1.867 9.736 -2.292 633 HB2 GLU 81 HB2 GLU 81 -1.628 8.984 0.622 634 HB3 GLU 81 HB1 GLU 81 -1.149 7.999 -0.742 635 HG2 GLU 81 HG2 GLU 81 0.887 8.823 -0.351 636 HG3 GLU 81 HG1 GLU 81 0.283 10.250 -1.190 637 H THR 82 HN THR 82 -4.169 10.582 0.188 638 HA THR 82 HA THR 82 -5.852 8.323 -0.039 639 HB THR 82 HB THR 82 -6.495 11.211 0.616 640 HG1 THR 82 HG1 THR 82 -5.199 9.678 2.051 641 HG21 THR 82 HG21 THR 82 -8.270 8.799 0.510 642 HG22 THR 82 HG22 THR 82 -8.575 10.431 -0.079 643 HG23 THR 82 HG23 THR 82 -8.595 10.100 1.653 644 H LYS 83 HN LYS 83 -5.853 11.465 -1.629 645 HA LYS 83 HA LYS 83 -7.801 10.713 -3.581 646 HB2 LYS 83 HB2 LYS 83 -6.005 13.109 -3.250 647 HB3 LYS 83 HB1 LYS 83 -7.062 12.915 -4.643 648 HG2 LYS 83 HG2 LYS 83 -8.040 12.870 -1.800 649 HG3 LYS 83 HG1 LYS 83 -7.979 14.328 -2.795 650 HD2 LYS 83 HD2 LYS 83 -9.738 13.691 -4.068 651 HD3 LYS 83 HD1 LYS 83 -9.297 11.984 -4.010 652 HE2 LYS 83 HE2 LYS 83 -10.243 11.727 -1.847 653 HE3 LYS 83 HE1 LYS 83 -10.450 13.470 -1.661 654 HZ1 LYS 83 HZ1 LYS 83 -12.061 13.408 -3.487 655 HZ2 LYS 83 HZ2 LYS 83 -12.543 12.433 -2.192 656 HZ3 LYS 83 HZ3 LYS 83 -11.893 11.728 -3.587 657 H THR 84 HN THR 84 -4.293 10.739 -3.391 658 HA THR 84 HA THR 84 -4.007 10.338 -6.236 659 HB THR 84 HB THR 84 -1.881 10.375 -4.114 660 HG1 THR 84 HG1 THR 84 -1.558 12.522 -5.251 661 HG21 THR 84 HG21 THR 84 -0.361 10.790 -6.018 662 HG22 THR 84 HG22 THR 84 -1.710 10.531 -7.124 663 HG23 THR 84 HG23 THR 84 -1.137 9.209 -6.107 664 H LEU 85 HN LEU 85 -2.958 8.536 -3.364 665 HA LEU 85 HA LEU 85 -2.329 6.224 -4.946 666 HG LEU 85 HG LEU 85 -2.465 4.207 -2.726 667 HB2 LEU 85 HB2 LEU 85 -0.943 6.776 -3.061 668 HB3 LEU 85 HB1 LEU 85 -2.315 6.662 -1.977 669 HD11 LEU 85 HD11 LEU 85 0.245 4.972 -3.763 670 HD12 LEU 85 HD12 LEU 85 -1.062 4.144 -4.610 671 HD13 LEU 85 HD13 LEU 85 -0.172 3.314 -3.334 672 HD21 LEU 85 HD21 LEU 85 -0.365 5.392 -0.959 673 HD22 LEU 85 HD22 LEU 85 -0.483 3.646 -1.165 674 HD23 LEU 85 HD23 LEU 85 -1.851 4.551 -0.520 675 H MET 86 HN MET 86 -4.742 6.787 -2.316 676 HA MET 86 HA MET 86 -5.804 4.171 -2.536 677 HB2 MET 86 HB2 MET 86 -7.479 6.515 -1.665 678 HB3 MET 86 HB1 MET 86 -7.605 4.838 -1.172 679 HG2 MET 86 HG2 MET 86 -5.220 6.529 -0.501 680 HG3 MET 86 HG1 MET 86 -6.650 6.437 0.522 681 HE1 MET 86 HE1 MET 86 -3.372 3.398 -0.148 682 HE2 MET 86 HE2 MET 86 -3.824 4.750 -1.187 683 HE3 MET 86 HE3 MET 86 -4.650 3.200 -1.344 684 H ALA 87 HN ALA 87 -7.035 7.235 -3.824 685 HA ALA 87 HA ALA 87 -9.193 6.191 -5.250 686 HB1 ALA 87 HB1 ALA 87 -7.606 8.544 -6.216 687 HB2 ALA 87 HB2 ALA 87 -8.576 8.631 -4.739 688 HB3 ALA 87 HB3 ALA 87 -9.347 8.270 -6.291 689 H ALA 88 HN ALA 88 -5.792 6.029 -5.887 690 HA ALA 88 HA ALA 88 -6.159 5.387 -8.699 691 HB1 ALA 88 HB1 ALA 88 -4.229 6.706 -8.145 692 HB2 ALA 88 HB2 ALA 88 -3.690 5.114 -8.680 693 HB3 ALA 88 HB3 ALA 88 -3.698 5.510 -6.962 694 H GLY 89 HN GLY 89 -4.665 3.779 -5.877 695 HA2 GLY 89 HA2 GLY 89 -4.296 1.260 -6.893 696 HA3 GLY 89 HA1 GLY 89 -4.722 1.574 -5.216 697 H ASP 90 HN ASP 90 -7.265 2.612 -5.563 698 HA ASP 90 HA ASP 90 -8.753 0.221 -6.290 699 HB2 ASP 90 HB2 ASP 90 -10.659 1.235 -5.130 700 HB3 ASP 90 HB1 ASP 90 -9.238 1.173 -4.093 701 H LYS 91 HN LYS 91 -7.649 1.547 -8.390 702 HA LYS 91 HA LYS 91 -8.670 3.511 -9.792 703 HB2 LYS 91 HB2 LYS 91 -8.093 2.353 -11.807 704 HB3 LYS 91 HB1 LYS 91 -6.943 1.955 -10.538 705 HG2 LYS 91 HG2 LYS 91 -7.275 -0.092 -11.439 706 HG3 LYS 91 HG1 LYS 91 -8.513 -0.102 -10.181 707 HD2 LYS 91 HD2 LYS 91 -10.058 0.827 -11.984 708 HD3 LYS 91 HD1 LYS 91 -8.829 0.315 -13.132 709 HE2 LYS 91 HE2 LYS 91 -8.988 -1.975 -12.262 710 HE3 LYS 91 HE1 LYS 91 -10.247 -1.455 -11.143 711 HZ1 LYS 91 HZ1 LYS 91 -10.433 -1.332 -14.105 712 HZ2 LYS 91 HZ2 LYS 91 -11.648 -0.890 -13.015 713 HZ3 LYS 91 HZ3 LYS 91 -11.162 -2.507 -13.129 714 H ASP 92 HN ASP 92 -10.615 0.659 -9.088 715 HA ASP 92 HA ASP 92 -12.578 0.982 -11.018 716 HB2 ASP 92 HB2 ASP 92 -14.132 -0.055 -9.396 717 HB3 ASP 92 HB1 ASP 92 -12.586 -0.896 -9.443 718 H GLY 93 HN GLY 93 -11.743 2.984 -8.327 719 HA2 GLY 93 HA2 GLY 93 -12.310 5.235 -8.115 720 HA3 GLY 93 HA1 GLY 93 -13.669 4.978 -9.201 721 H ASP 94 HN ASP 94 -12.764 3.398 -6.130 722 HA ASP 94 HA ASP 94 -15.400 4.222 -5.104 723 HB2 ASP 94 HB2 ASP 94 -13.746 1.776 -4.463 724 HB3 ASP 94 HB1 ASP 94 -15.177 2.251 -3.554 725 H GLY 95 HN GLY 95 -12.070 4.707 -4.750 726 HA2 GLY 95 HA2 GLY 95 -11.010 6.162 -3.275 727 HA3 GLY 95 HA1 GLY 95 -12.513 6.280 -2.386 728 H LYS 96 HN LYS 96 -12.278 3.156 -2.490 729 HA LYS 96 HA LYS 96 -10.574 2.939 -0.112 730 HB2 LYS 96 HB2 LYS 96 -13.006 1.222 -0.597 731 HB3 LYS 96 HB1 LYS 96 -12.145 1.492 0.906 732 HG2 LYS 96 HG2 LYS 96 -12.895 3.871 0.833 733 HG3 LYS 96 HG1 LYS 96 -13.903 3.443 -0.551 734 HD2 LYS 96 HD2 LYS 96 -15.136 1.854 0.796 735 HD3 LYS 96 HD1 LYS 96 -14.074 2.158 2.173 736 HE2 LYS 96 HE2 LYS 96 -14.806 4.523 2.161 737 HE3 LYS 96 HE1 LYS 96 -15.936 4.134 0.863 738 HZ1 LYS 96 HZ1 LYS 96 -15.962 2.955 3.590 739 HZ2 LYS 96 HZ2 LYS 96 -17.040 2.570 2.345 740 HZ3 LYS 96 HZ3 LYS 96 -17.036 4.126 3.008 741 H ILE 97 HN ILE 97 -9.359 1.055 0.138 742 HA ILE 97 HA ILE 97 -9.048 -0.507 -2.330 743 HB ILE 97 HB ILE 97 -7.120 0.003 -0.061 744 HG12 ILE 97 HG12 ILE 97 -7.140 0.685 -3.004 745 HG13 ILE 97 HG11 ILE 97 -7.170 1.802 -1.643 746 HG21 ILE 97 HG21 ILE 97 -5.503 -1.382 -1.405 747 HG22 ILE 97 HG22 ILE 97 -6.887 -1.967 -2.332 748 HG23 ILE 97 HG23 ILE 97 -6.785 -2.286 -0.601 749 HD11 ILE 97 HD11 ILE 97 -4.982 1.654 -2.808 750 HD12 ILE 97 HD12 ILE 97 -4.860 -0.023 -2.267 751 HD13 ILE 97 HD13 ILE 97 -4.908 1.287 -1.084 752 H GLY 98 HN GLY 98 -9.744 -2.508 -2.378 753 HA2 GLY 98 HA2 GLY 98 -10.157 -3.923 0.180 754 HA3 GLY 98 HA1 GLY 98 -11.138 -4.175 -1.260 755 H VAL 99 HN VAL 99 -9.854 -6.284 0.096 756 HA VAL 99 HA VAL 99 -7.362 -7.050 -0.748 757 HB VAL 99 HB VAL 99 -8.740 -8.387 0.793 758 HG11 VAL 99 HG11 VAL 99 -10.424 -9.926 -0.078 759 HG12 VAL 99 HG12 VAL 99 -10.209 -9.253 -1.695 760 HG13 VAL 99 HG13 VAL 99 -10.865 -8.248 -0.402 761 HG21 VAL 99 HG21 VAL 99 -7.753 -9.930 -1.604 762 HG22 VAL 99 HG22 VAL 99 -8.027 -10.591 0.008 763 HG23 VAL 99 HG23 VAL 99 -6.769 -9.380 -0.248 764 H GLU 100 HN GLU 100 -10.258 -6.825 -2.640 765 HA GLU 100 HA GLU 100 -9.372 -8.442 -4.817 766 HB2 GLU 100 HB2 GLU 100 -11.297 -6.384 -5.541 767 HB3 GLU 100 HB1 GLU 100 -11.417 -8.128 -5.704 768 HG2 GLU 100 HG2 GLU 100 -11.981 -6.497 -3.263 769 HG3 GLU 100 HG1 GLU 100 -13.180 -7.250 -4.309 770 H GLU 101 HN GLU 101 -9.750 -4.954 -4.355 771 HA GLU 101 HA GLU 101 -8.490 -4.240 -6.795 772 HB2 GLU 101 HB2 GLU 101 -9.843 -2.911 -4.684 773 HB3 GLU 101 HB1 GLU 101 -8.303 -2.101 -4.917 774 HG2 GLU 101 HG2 GLU 101 -10.140 -1.142 -6.258 775 HG3 GLU 101 HG1 GLU 101 -8.781 -1.707 -7.235 776 H PHE 102 HN PHE 102 -7.232 -5.033 -3.656 777 HA PHE 102 HA PHE 102 -4.848 -3.629 -3.638 778 HD1 PHE 102 HD2 PHE 102 -4.847 -3.295 -0.870 779 HD2 PHE 102 HD1 PHE 102 -2.501 -6.473 -2.403 780 HE1 PHE 102 HE2 PHE 102 -2.913 -2.478 0.419 781 HE2 PHE 102 HE1 PHE 102 -0.556 -5.677 -1.120 782 HZ PHE 102 HZ PHE 102 -0.762 -3.672 0.295 783 HB2 PHE 102 HB2 PHE 102 -5.841 -5.355 -1.911 784 HB3 PHE 102 HB1 PHE 102 -4.785 -6.480 -2.755 785 H SER 103 HN SER 103 -5.803 -6.231 -5.700 786 HA SER 103 HA SER 103 -3.125 -6.829 -6.584 787 HG SER 103 HG SER 103 -6.484 -8.137 -8.475 788 HB2 SER 103 HB2 SER 103 -4.281 -8.105 -8.393 789 HB3 SER 103 HB1 SER 103 -4.836 -8.560 -6.782 790 H THR 104 HN THR 104 -5.852 -4.894 -7.636 791 HA THR 104 HA THR 104 -4.845 -4.059 -10.119 792 HB THR 104 HB THR 104 -6.657 -2.353 -8.429 793 HG1 THR 104 HG1 THR 104 -7.293 -4.751 -9.836 794 HG21 THR 104 HG21 THR 104 -7.717 -1.962 -10.664 795 HG22 THR 104 HG22 THR 104 -6.411 -2.903 -11.388 796 HG23 THR 104 HG23 THR 104 -6.049 -1.395 -10.549 797 H LEU 105 HN LEU 105 -4.157 -2.959 -6.869 798 HA LEU 105 HA LEU 105 -3.199 -0.384 -7.505 799 HG LEU 105 HG LEU 105 -3.681 -2.948 -4.989 800 HB2 LEU 105 HB2 LEU 105 -1.655 -1.667 -5.384 801 HB3 LEU 105 HB1 LEU 105 -2.599 -0.201 -5.353 802 HD11 LEU 105 HD11 LEU 105 -4.160 -1.952 -2.677 803 HD12 LEU 105 HD12 LEU 105 -2.925 -0.768 -3.104 804 HD13 LEU 105 HD13 LEU 105 -2.520 -2.483 -3.040 805 HD21 LEU 105 HD21 LEU 105 -5.322 -1.541 -6.040 806 HD22 LEU 105 HD22 LEU 105 -5.009 -0.269 -4.871 807 HD23 LEU 105 HD23 LEU 105 -5.752 -1.776 -4.347 808 H VAL 106 HN VAL 106 -1.752 -3.575 -7.647 809 HA VAL 106 HA VAL 106 0.926 -2.777 -8.061 810 HB VAL 106 HB VAL 106 -0.470 -5.264 -9.076 811 HG11 VAL 106 HG11 VAL 106 2.467 -4.688 -8.690 812 HG12 VAL 106 HG12 VAL 106 1.633 -4.824 -10.238 813 HG13 VAL 106 HG13 VAL 106 1.773 -6.232 -9.184 814 HG21 VAL 106 HG21 VAL 106 0.356 -6.359 -7.088 815 HG22 VAL 106 HG22 VAL 106 -0.605 -4.955 -6.623 816 HG23 VAL 106 HG23 VAL 106 1.157 -4.878 -6.564 817 H ALA 107 HN ALA 107 -1.854 -3.083 -10.126 818 HA ALA 107 HA ALA 107 -0.398 -2.732 -12.584 819 HB1 ALA 107 HB1 ALA 107 -2.632 -2.616 -13.609 820 HB2 ALA 107 HB2 ALA 107 -3.358 -2.620 -12.001 821 HB3 ALA 107 HB3 ALA 107 -2.456 -4.026 -12.564 822 H GLU 108 HN GLU 108 -1.887 -0.727 -10.187 823 HA GLU 108 HA GLU 108 -2.211 1.610 -11.769 824 HB2 GLU 108 HB2 GLU 108 -2.115 1.089 -8.816 825 HB3 GLU 108 HB1 GLU 108 -2.203 2.729 -9.450 826 HG2 GLU 108 HG2 GLU 108 -4.158 0.624 -10.266 827 HG3 GLU 108 HG1 GLU 108 -4.394 1.598 -8.814 828 H SER 109 HN SER 109 -0.037 1.164 -8.999 829 HA SER 109 HA SER 109 1.685 3.233 -9.521 830 HG SER 109 HG SER 109 1.423 0.009 -7.553 831 HB2 SER 109 HB2 SER 109 3.090 0.983 -8.389 832 HB3 SER 109 HB1 SER 109 2.596 2.488 -7.623 Start of MODEL 13 1 HA SER 1 HA SER 1 5.134 -11.333 7.712 2 HG SER 1 HG SER 1 4.924 -7.540 8.636 3 H1 SER 1 HT1 SER 1 7.152 -9.191 8.025 4 H2 SER 1 HT2 SER 1 7.459 -10.853 7.944 5 H3 SER 1 HT3 SER 1 6.609 -10.212 9.259 6 HB2 SER 1 HB2 SER 1 3.525 -9.471 7.436 7 HB3 SER 1 HB1 SER 1 4.256 -9.479 9.040 8 H MET 2 HN MET 2 6.109 -8.246 6.221 9 HA MET 2 HA MET 2 5.612 -9.368 3.588 10 HB2 MET 2 HB2 MET 2 6.123 -6.621 4.652 11 HB3 MET 2 HB1 MET 2 6.348 -6.942 2.941 12 HG2 MET 2 HG2 MET 2 4.116 -6.023 3.598 13 HG3 MET 2 HG1 MET 2 4.071 -7.517 2.662 14 HE1 MET 2 HE1 MET 2 2.270 -9.965 4.757 15 HE2 MET 2 HE2 MET 2 3.950 -10.066 4.237 16 HE3 MET 2 HE3 MET 2 2.738 -9.359 3.169 17 H THR 3 HN THR 3 7.578 -10.822 4.419 18 HA THR 3 HA THR 3 10.069 -9.610 3.415 19 HB THR 3 HB THR 3 9.726 -11.976 5.266 20 HG1 THR 3 HG1 THR 3 10.770 -9.366 5.747 21 HG21 THR 3 HG21 THR 3 12.182 -10.668 4.112 22 HG22 THR 3 HG22 THR 3 11.685 -12.352 3.961 23 HG23 THR 3 HG23 THR 3 12.222 -11.726 5.521 24 H ASP 4 HN ASP 4 8.166 -12.613 3.411 25 HA ASP 4 HA ASP 4 9.725 -13.660 1.190 26 HB2 ASP 4 HB2 ASP 4 7.369 -14.836 2.683 27 HB3 ASP 4 HB1 ASP 4 8.304 -15.670 1.445 28 H LEU 5 HN LEU 5 6.700 -12.086 1.784 29 HA LEU 5 HA LEU 5 5.662 -12.733 -0.850 30 HG LEU 5 HG LEU 5 4.721 -13.751 1.360 31 HB2 LEU 5 HB2 LEU 5 4.482 -10.928 1.251 32 HB3 LEU 5 HB1 LEU 5 3.663 -11.577 -0.158 33 HD11 LEU 5 HD11 LEU 5 4.741 -12.315 3.274 34 HD12 LEU 5 HD12 LEU 5 3.384 -13.427 3.410 35 HD13 LEU 5 HD13 LEU 5 3.106 -11.757 2.929 36 HD21 LEU 5 HD21 LEU 5 2.876 -14.028 -0.114 37 HD22 LEU 5 HD22 LEU 5 1.947 -12.780 0.712 38 HD23 LEU 5 HD23 LEU 5 2.281 -14.310 1.522 39 H LEU 6 HN LEU 6 7.169 -10.114 0.866 40 HA LEU 6 HA LEU 6 7.257 -8.565 -1.635 41 HG LEU 6 HG LEU 6 4.688 -8.138 0.084 42 HB2 LEU 6 HB2 LEU 6 6.773 -7.515 1.149 43 HB3 LEU 6 HB1 LEU 6 7.196 -6.501 -0.214 44 HD11 LEU 6 HD11 LEU 6 4.727 -6.098 1.425 45 HD12 LEU 6 HD12 LEU 6 3.575 -5.972 0.097 46 HD13 LEU 6 HD13 LEU 6 5.136 -5.160 -0.010 47 HD21 LEU 6 HD21 LEU 6 4.992 -8.237 -2.184 48 HD22 LEU 6 HD22 LEU 6 5.923 -6.739 -2.232 49 HD23 LEU 6 HD23 LEU 6 4.173 -6.683 -2.044 50 H SER 7 HN SER 7 9.165 -7.379 -1.979 51 HA SER 7 HA SER 7 11.514 -8.516 -0.999 52 HG SER 7 HG SER 7 12.359 -7.172 -3.932 53 HB2 SER 7 HB2 SER 7 10.989 -5.859 -2.339 54 HB3 SER 7 HB1 SER 7 12.614 -6.415 -1.935 55 H ALA 8 HN ALA 8 12.142 -8.467 1.078 56 HA ALA 8 HA ALA 8 11.205 -6.651 3.001 57 HB1 ALA 8 HB1 ALA 8 11.972 -8.800 3.684 58 HB2 ALA 8 HB2 ALA 8 13.010 -7.594 4.441 59 HB3 ALA 8 HB3 ALA 8 13.583 -8.496 3.037 60 H GLU 9 HN GLU 9 14.266 -6.728 1.208 61 HA GLU 9 HA GLU 9 15.435 -4.529 2.555 62 HB2 GLU 9 HB2 GLU 9 17.052 -4.509 0.734 63 HB3 GLU 9 HB1 GLU 9 16.739 -6.162 1.247 64 HG2 GLU 9 HG2 GLU 9 15.185 -6.415 -0.656 65 HG3 GLU 9 HG1 GLU 9 15.627 -4.795 -1.191 66 H ASP 10 HN ASP 10 13.529 -4.818 -0.395 67 HA ASP 10 HA ASP 10 13.748 -2.236 -1.389 68 HB2 ASP 10 HB2 ASP 10 11.410 -4.144 -1.439 69 HB3 ASP 10 HB1 ASP 10 11.527 -2.692 -2.428 70 H ILE 11 HN ILE 11 11.228 -3.544 0.739 71 HA ILE 11 HA ILE 11 9.800 -1.166 1.124 72 HB ILE 11 HB ILE 11 10.123 -3.448 3.049 73 HG12 ILE 11 HG12 ILE 11 7.785 -3.253 1.222 74 HG13 ILE 11 HG11 ILE 11 9.310 -3.838 0.560 75 HG21 ILE 11 HG21 ILE 11 7.938 -2.773 3.908 76 HG22 ILE 11 HG22 ILE 11 7.882 -1.454 2.735 77 HG23 ILE 11 HG23 ILE 11 9.091 -1.441 4.021 78 HD11 ILE 11 HD11 ILE 11 7.715 -5.588 1.390 79 HD12 ILE 11 HD12 ILE 11 8.038 -4.998 3.018 80 HD13 ILE 11 HD13 ILE 11 9.348 -5.671 2.046 81 H LYS 12 HN LYS 12 12.319 -2.660 3.165 82 HA LYS 12 HA LYS 12 12.401 -0.643 5.104 83 HB2 LYS 12 HB2 LYS 12 14.585 -2.502 4.146 84 HB3 LYS 12 HB1 LYS 12 14.707 -1.491 5.580 85 HG2 LYS 12 HG2 LYS 12 12.760 -2.654 6.535 86 HG3 LYS 12 HG1 LYS 12 12.719 -3.705 5.118 87 HD2 LYS 12 HD2 LYS 12 14.986 -4.485 5.644 88 HD3 LYS 12 HD1 LYS 12 15.005 -3.447 7.071 89 HE2 LYS 12 HE2 LYS 12 13.138 -4.680 8.019 90 HE3 LYS 12 HE1 LYS 12 13.047 -5.685 6.573 91 HZ1 LYS 12 HZ1 LYS 12 15.346 -5.558 8.449 92 HZ2 LYS 12 HZ2 LYS 12 15.261 -6.522 7.062 93 HZ3 LYS 12 HZ3 LYS 12 14.213 -6.812 8.358 94 H LYS 13 HN LYS 13 14.291 -1.079 2.137 95 HA LYS 13 HA LYS 13 15.888 1.228 2.373 96 HB2 LYS 13 HB2 LYS 13 14.939 -0.314 -0.044 97 HB3 LYS 13 HB1 LYS 13 16.110 0.993 -0.131 98 HG2 LYS 13 HG2 LYS 13 17.761 -0.233 0.916 99 HG3 LYS 13 HG1 LYS 13 16.608 -1.330 1.677 100 HD2 LYS 13 HD2 LYS 13 17.991 -2.254 -0.263 101 HD3 LYS 13 HD1 LYS 13 16.249 -2.516 -0.322 102 HE2 LYS 13 HE2 LYS 13 15.960 -0.768 -1.917 103 HE3 LYS 13 HE1 LYS 13 17.633 -0.237 -1.725 104 HZ1 LYS 13 HZ1 LYS 13 18.386 -2.293 -2.707 105 HZ2 LYS 13 HZ2 LYS 13 17.287 -1.544 -3.751 106 HZ3 LYS 13 HZ3 LYS 13 16.799 -2.870 -2.823 107 H ALA 14 HN ALA 14 12.912 0.626 0.569 108 HA ALA 14 HA ALA 14 12.617 3.218 -0.472 109 HB1 ALA 14 HB1 ALA 14 10.337 1.341 0.037 110 HB2 ALA 14 HB2 ALA 14 11.524 1.049 -1.234 111 HB3 ALA 14 HB3 ALA 14 10.536 2.511 -1.267 112 H ILE 15 HN ILE 15 10.938 1.636 2.241 113 HA ILE 15 HA ILE 15 9.353 3.755 2.996 114 HB ILE 15 HB ILE 15 10.418 1.455 4.564 115 HG12 ILE 15 HG12 ILE 15 7.871 2.327 3.241 116 HG13 ILE 15 HG11 ILE 15 8.869 0.937 2.867 117 HG21 ILE 15 HG21 ILE 15 8.892 2.030 6.372 118 HG22 ILE 15 HG22 ILE 15 8.411 3.503 5.533 119 HG23 ILE 15 HG23 ILE 15 10.054 3.338 6.148 120 HD11 ILE 15 HD11 ILE 15 7.215 -0.126 3.979 121 HD12 ILE 15 HD12 ILE 15 6.775 1.332 4.862 122 HD13 ILE 15 HD13 ILE 15 8.150 0.362 5.398 123 H GLY 16 HN GLY 16 12.721 3.111 3.809 124 HA2 GLY 16 HA2 GLY 16 12.764 5.422 5.607 125 HA3 GLY 16 HA1 GLY 16 14.044 4.239 5.429 126 H ALA 17 HN ALA 17 14.846 4.265 2.958 127 HA ALA 17 HA ALA 17 16.518 6.331 2.588 128 HB1 ALA 17 HB1 ALA 17 16.758 5.719 0.323 129 HB2 ALA 17 HB2 ALA 17 15.103 5.109 0.236 130 HB3 ALA 17 HB3 ALA 17 16.314 4.245 1.187 131 H PHE 18 HN PHE 18 13.272 6.251 1.112 132 HA PHE 18 HA PHE 18 13.329 9.168 1.009 133 HD1 PHE 18 HD2 PHE 18 14.542 6.145 -1.444 134 HD2 PHE 18 HD1 PHE 18 10.487 7.401 -1.640 135 HE1 PHE 18 HE2 PHE 18 13.926 3.981 -2.435 136 HE2 PHE 18 HE1 PHE 18 9.854 5.237 -2.648 137 HZ PHE 18 HZ PHE 18 11.584 3.525 -3.035 138 HB2 PHE 18 HB2 PHE 18 12.295 9.002 -1.269 139 HB3 PHE 18 HB1 PHE 18 13.960 8.441 -1.161 140 H THR 19 HN THR 19 11.709 9.817 2.252 141 HA THR 19 HA THR 19 9.303 8.205 2.484 142 HB THR 19 HB THR 19 8.630 9.754 4.251 143 HG1 THR 19 HG1 THR 19 9.770 11.585 4.677 144 HG21 THR 19 HG21 THR 19 10.450 9.337 5.839 145 HG22 THR 19 HG22 THR 19 11.529 8.937 4.501 146 HG23 THR 19 HG23 THR 19 10.133 7.915 4.846 147 H ALA 20 HN ALA 20 10.429 11.131 1.013 148 HA ALA 20 HA ALA 20 8.222 12.640 0.555 149 HB1 ALA 20 HB1 ALA 20 10.369 12.023 -1.468 150 HB2 ALA 20 HB2 ALA 20 10.476 13.234 -0.192 151 HB3 ALA 20 HB3 ALA 20 9.291 13.419 -1.485 152 H ALA 21 HN ALA 21 9.262 9.839 -1.390 153 HA ALA 21 HA ALA 21 7.275 9.889 -3.313 154 HB1 ALA 21 HB1 ALA 21 7.662 7.467 -3.563 155 HB2 ALA 21 HB2 ALA 21 8.601 7.493 -2.072 156 HB3 ALA 21 HB3 ALA 21 9.163 8.392 -3.479 157 H ASP 22 HN ASP 22 7.237 7.758 -0.472 158 HA ASP 22 HA ASP 22 4.532 7.060 -0.653 159 HB2 ASP 22 HB2 ASP 22 5.980 5.757 0.758 160 HB3 ASP 22 HB1 ASP 22 6.403 7.164 1.724 161 H SER 23 HN SER 23 6.146 9.792 0.763 162 HA SER 23 HA SER 23 4.032 10.829 2.278 163 HG SER 23 HG SER 23 4.606 13.574 2.256 164 HB2 SER 23 HB2 SER 23 5.995 11.862 2.828 165 HB3 SER 23 HB1 SER 23 6.598 11.859 1.171 166 H PHE 24 HN PHE 24 5.076 11.572 -1.049 167 HA PHE 24 HA PHE 24 2.606 13.081 -1.455 168 HD1 PHE 24 HD2 PHE 24 2.203 15.149 -2.863 169 HD2 PHE 24 HD1 PHE 24 4.743 12.847 -5.385 170 HE1 PHE 24 HE2 PHE 24 1.051 16.053 -4.841 171 HE2 PHE 24 HE1 PHE 24 3.597 13.746 -7.367 172 HZ PHE 24 HZ PHE 24 1.749 15.351 -7.098 173 HB2 PHE 24 HB2 PHE 24 4.590 14.221 -2.187 174 HB3 PHE 24 HB1 PHE 24 5.110 12.824 -3.123 175 H ASP 25 HN ASP 25 4.468 10.769 -3.458 176 HA ASP 25 HA ASP 25 1.922 9.463 -4.123 177 HB2 ASP 25 HB2 ASP 25 2.631 11.079 -5.924 178 HB3 ASP 25 HB1 ASP 25 4.049 10.066 -6.179 179 H HIS 26 HN HIS 26 2.234 7.578 -3.081 180 HA HIS 26 HA HIS 26 4.730 6.224 -2.959 181 HD1 HIS 26 HD1 HIS 26 3.118 2.968 -3.563 182 HD2 HIS 26 HD2 HIS 26 4.280 4.070 0.257 183 HE1 HIS 26 HE1 HIS 26 4.005 0.866 -2.501 184 HE2 HIS 26 HE2 HIS 26 4.637 1.545 -0.161 185 HB2 HIS 26 HB2 HIS 26 3.053 5.938 -1.210 186 HB3 HIS 26 HB1 HIS 26 1.934 5.239 -2.366 187 H LYS 27 HN LYS 27 2.493 6.499 -5.492 188 HA LYS 27 HA LYS 27 2.235 4.064 -6.627 189 HB2 LYS 27 HB2 LYS 27 2.639 6.776 -7.779 190 HB3 LYS 27 HB1 LYS 27 2.646 5.403 -8.852 191 HG2 LYS 27 HG2 LYS 27 0.412 5.708 -6.920 192 HG3 LYS 27 HG1 LYS 27 0.443 6.699 -8.383 193 HD2 LYS 27 HD2 LYS 27 0.967 3.797 -8.641 194 HD3 LYS 27 HD1 LYS 27 -0.698 4.311 -8.351 195 HE2 LYS 27 HE2 LYS 27 1.059 5.400 -10.546 196 HE3 LYS 27 HE1 LYS 27 -0.071 4.066 -10.765 197 HZ1 LYS 27 HZ1 LYS 27 -1.881 5.533 -10.146 198 HZ2 LYS 27 HZ2 LYS 27 -1.025 6.184 -11.453 199 HZ3 LYS 27 HZ3 LYS 27 -0.801 6.811 -9.897 200 H LYS 28 HN LYS 28 4.965 6.250 -7.344 201 HA LYS 28 HA LYS 28 6.505 4.346 -8.712 202 HB2 LYS 28 HB2 LYS 28 7.360 6.751 -7.094 203 HB3 LYS 28 HB1 LYS 28 8.424 5.857 -8.174 204 HG2 LYS 28 HG2 LYS 28 5.931 7.337 -8.999 205 HG3 LYS 28 HG1 LYS 28 7.589 7.907 -9.209 206 HD2 LYS 28 HD2 LYS 28 6.375 5.439 -10.454 207 HD3 LYS 28 HD1 LYS 28 6.746 6.952 -11.281 208 HE2 LYS 28 HE2 LYS 28 9.121 6.641 -10.790 209 HE3 LYS 28 HE1 LYS 28 8.753 5.138 -9.948 210 HZ1 LYS 28 HZ1 LYS 28 7.941 4.204 -12.009 211 HZ2 LYS 28 HZ2 LYS 28 9.529 4.749 -12.209 212 HZ3 LYS 28 HZ3 LYS 28 8.242 5.655 -12.826 213 H PHE 29 HN PHE 29 6.317 5.301 -5.347 214 HA PHE 29 HA PHE 29 8.396 3.799 -4.290 215 HD1 PHE 29 HD1 PHE 29 6.342 2.154 -1.918 216 HD2 PHE 29 HD2 PHE 29 8.498 5.751 -1.286 217 HE1 PHE 29 HE1 PHE 29 7.213 1.258 0.204 218 HE2 PHE 29 HE2 PHE 29 9.375 4.872 0.828 219 HZ PHE 29 HZ PHE 29 8.736 2.622 1.562 220 HB2 PHE 29 HB2 PHE 29 7.174 5.577 -3.100 221 HB3 PHE 29 HB1 PHE 29 5.755 4.536 -2.984 222 H PHE 30 HN PHE 30 5.209 2.848 -5.332 223 HA PHE 30 HA PHE 30 5.016 0.331 -4.047 224 HD1 PHE 30 HD2 PHE 30 2.031 1.507 -3.756 225 HD2 PHE 30 HD1 PHE 30 3.154 -1.772 -6.207 226 HE1 PHE 30 HE2 PHE 30 0.320 0.131 -2.672 227 HE2 PHE 30 HE1 PHE 30 1.431 -3.151 -5.132 228 HZ PHE 30 HZ PHE 30 0.015 -2.210 -3.362 229 HB2 PHE 30 HB2 PHE 30 3.414 1.824 -5.744 230 HB3 PHE 30 HB1 PHE 30 3.874 0.446 -6.741 231 H GLN 31 HN GLN 31 6.652 1.470 -6.877 232 HA GLN 31 HA GLN 31 7.343 -1.138 -7.861 233 HB2 GLN 31 HB2 GLN 31 8.607 1.476 -8.645 234 HB3 GLN 31 HB1 GLN 31 8.464 0.016 -9.608 235 HG2 GLN 31 HG2 GLN 31 6.012 0.349 -9.662 236 HG3 GLN 31 HG1 GLN 31 6.232 1.866 -8.796 237 HE21 GLN 31 HE21 GLN 31 5.342 3.052 -10.486 238 HE22 GLN 31 HE22 GLN 31 6.196 3.335 -11.959 239 H MET 32 HN MET 32 8.904 1.465 -6.083 240 HA MET 32 HA MET 32 11.473 0.234 -5.968 241 HB2 MET 32 HB2 MET 32 10.422 2.368 -4.114 242 HB3 MET 32 HB1 MET 32 12.096 2.054 -4.565 243 HG2 MET 32 HG2 MET 32 11.543 2.678 -6.885 244 HG3 MET 32 HG1 MET 32 9.918 3.096 -6.352 245 HE1 MET 32 HE1 MET 32 13.738 3.981 -6.150 246 HE2 MET 32 HE2 MET 32 13.319 3.666 -4.465 247 HE3 MET 32 HE3 MET 32 13.731 5.303 -4.982 248 H VAL 33 HN VAL 33 8.671 0.336 -3.836 249 HA VAL 33 HA VAL 33 9.849 -0.903 -1.580 250 HB VAL 33 HB VAL 33 7.701 0.287 -1.475 251 HG11 VAL 33 HG11 VAL 33 6.409 -2.078 -2.775 252 HG12 VAL 33 HG12 VAL 33 6.961 -0.695 -3.713 253 HG13 VAL 33 HG13 VAL 33 5.736 -0.478 -2.464 254 HG21 VAL 33 HG21 VAL 33 7.963 -1.089 0.362 255 HG22 VAL 33 HG22 VAL 33 7.847 -2.550 -0.611 256 HG23 VAL 33 HG23 VAL 33 6.403 -1.602 -0.282 257 H GLY 34 HN GLY 34 8.676 -2.138 -4.576 258 HA2 GLY 34 HA2 GLY 34 9.170 -4.254 -5.457 259 HA3 GLY 34 HA1 GLY 34 9.625 -4.790 -3.847 260 H LEU 35 HN LEU 35 6.573 -3.201 -4.513 261 HA LEU 35 HA LEU 35 5.105 -5.376 -3.376 262 HG LEU 35 HG LEU 35 4.699 -3.523 -1.957 263 HB2 LEU 35 HB2 LEU 35 4.451 -2.714 -4.520 264 HB3 LEU 35 HB1 LEU 35 3.168 -3.907 -4.458 265 HD11 LEU 35 HD11 LEU 35 3.880 -1.251 -3.304 266 HD12 LEU 35 HD12 LEU 35 4.213 -1.379 -1.579 267 HD13 LEU 35 HD13 LEU 35 2.565 -1.573 -2.177 268 HD21 LEU 35 HD21 LEU 35 2.949 -5.024 -1.765 269 HD22 LEU 35 HD22 LEU 35 1.896 -4.077 -2.816 270 HD23 LEU 35 HD23 LEU 35 2.228 -3.525 -1.173 271 H LYS 36 HN LYS 36 5.915 -4.311 -6.592 272 HA LYS 36 HA LYS 36 4.083 -6.157 -7.850 273 HB2 LYS 36 HB2 LYS 36 6.284 -4.496 -9.052 274 HB3 LYS 36 HB1 LYS 36 4.987 -5.290 -9.931 275 HG2 LYS 36 HG2 LYS 36 3.690 -3.507 -9.689 276 HG3 LYS 36 HG1 LYS 36 3.865 -3.580 -7.933 277 HD2 LYS 36 HD2 LYS 36 4.599 -1.411 -9.085 278 HD3 LYS 36 HD1 LYS 36 5.731 -2.152 -7.949 279 HE2 LYS 36 HE2 LYS 36 5.999 -3.043 -10.736 280 HE3 LYS 36 HE1 LYS 36 6.384 -1.344 -10.461 281 HZ1 LYS 36 HZ1 LYS 36 7.542 -3.070 -8.494 282 HZ2 LYS 36 HZ2 LYS 36 8.282 -1.900 -9.465 283 HZ3 LYS 36 HZ3 LYS 36 8.049 -3.464 -10.060 284 H LYS 37 HN LYS 37 6.821 -6.680 -6.185 285 HA LYS 37 HA LYS 37 8.659 -7.959 -7.733 286 HB2 LYS 37 HB2 LYS 37 8.902 -7.574 -5.324 287 HB3 LYS 37 HB1 LYS 37 7.722 -8.830 -4.989 288 HG2 LYS 37 HG2 LYS 37 9.265 -10.421 -6.212 289 HG3 LYS 37 HG1 LYS 37 10.471 -9.135 -6.155 290 HD2 LYS 37 HD2 LYS 37 10.201 -9.081 -3.679 291 HD3 LYS 37 HD1 LYS 37 9.134 -10.479 -3.810 292 HE2 LYS 37 HE2 LYS 37 10.940 -11.778 -4.808 293 HE3 LYS 37 HE1 LYS 37 12.009 -10.380 -4.715 294 HZ1 LYS 37 HZ1 LYS 37 10.774 -11.753 -2.390 295 HZ2 LYS 37 HZ2 LYS 37 11.828 -10.435 -2.313 296 HZ3 LYS 37 HZ3 LYS 37 12.380 -11.925 -2.888 297 H LYS 38 HN LYS 38 5.617 -9.333 -6.511 298 HA LYS 38 HA LYS 38 6.018 -11.532 -8.420 299 HB2 LYS 38 HB2 LYS 38 4.902 -11.755 -5.623 300 HB3 LYS 38 HB1 LYS 38 4.874 -13.050 -6.813 301 HG2 LYS 38 HG2 LYS 38 7.326 -13.021 -6.876 302 HG3 LYS 38 HG1 LYS 38 7.328 -11.749 -5.651 303 HD2 LYS 38 HD2 LYS 38 5.719 -13.653 -4.522 304 HD3 LYS 38 HD1 LYS 38 6.920 -14.630 -5.370 305 HE2 LYS 38 HE2 LYS 38 7.700 -14.221 -3.136 306 HE3 LYS 38 HE1 LYS 38 8.702 -13.306 -4.261 307 HZ1 LYS 38 HZ1 LYS 38 6.467 -12.215 -2.640 308 HZ2 LYS 38 HZ2 LYS 38 7.392 -11.331 -3.742 309 HZ3 LYS 38 HZ3 LYS 38 8.116 -11.967 -2.353 310 H SER 39 HN SER 39 3.190 -11.312 -6.342 311 HA SER 39 HA SER 39 1.636 -10.094 -8.485 312 HG SER 39 HG SER 39 1.267 -13.444 -9.562 313 HB2 SER 39 HB2 SER 39 1.009 -12.834 -7.360 314 HB3 SER 39 HB1 SER 39 -0.036 -11.917 -8.446 315 H ALA 40 HN ALA 40 -0.830 -10.178 -7.685 316 HA ALA 40 HA ALA 40 -0.984 -8.475 -5.472 317 HB1 ALA 40 HB1 ALA 40 -3.332 -10.111 -6.322 318 HB2 ALA 40 HB2 ALA 40 -2.638 -8.929 -7.431 319 HB3 ALA 40 HB3 ALA 40 -3.254 -8.409 -5.862 320 H ASP 41 HN ASP 41 -1.144 -11.951 -5.726 321 HA ASP 41 HA ASP 41 -2.400 -12.596 -3.326 322 HB2 ASP 41 HB2 ASP 41 -0.163 -14.110 -4.684 323 HB3 ASP 41 HB1 ASP 41 -1.303 -14.771 -3.517 324 H ASP 42 HN ASP 42 1.083 -12.221 -3.970 325 HA ASP 42 HA ASP 42 1.937 -12.709 -1.339 326 HB2 ASP 42 HB2 ASP 42 3.266 -11.061 -3.500 327 HB3 ASP 42 HB1 ASP 42 4.057 -11.669 -2.049 328 H VAL 43 HN VAL 43 1.474 -9.607 -3.038 329 HA VAL 43 HA VAL 43 2.098 -7.942 -0.878 330 HB VAL 43 HB VAL 43 0.952 -6.168 -2.090 331 HG11 VAL 43 HG11 VAL 43 2.908 -7.933 -3.272 332 HG12 VAL 43 HG12 VAL 43 2.821 -6.170 -3.317 333 HG13 VAL 43 HG13 VAL 43 1.947 -7.131 -4.513 334 HG21 VAL 43 HG21 VAL 43 -0.167 -8.410 -3.750 335 HG22 VAL 43 HG22 VAL 43 -0.269 -6.709 -4.193 336 HG23 VAL 43 HG23 VAL 43 -1.071 -7.291 -2.733 337 H LYS 44 HN LYS 44 -0.930 -9.436 -1.856 338 HA LYS 44 HA LYS 44 -2.766 -8.104 -0.299 339 HB2 LYS 44 HB2 LYS 44 -2.590 -10.881 -1.361 340 HB3 LYS 44 HB1 LYS 44 -3.855 -10.515 -0.196 341 HG2 LYS 44 HG2 LYS 44 -4.847 -8.921 -1.619 342 HG3 LYS 44 HG1 LYS 44 -3.446 -8.891 -2.690 343 HD2 LYS 44 HD2 LYS 44 -3.915 -11.312 -3.195 344 HD3 LYS 44 HD1 LYS 44 -5.429 -11.128 -2.309 345 HE2 LYS 44 HE2 LYS 44 -6.202 -9.468 -3.856 346 HE3 LYS 44 HE1 LYS 44 -4.639 -9.430 -4.670 347 HZ1 LYS 44 HZ1 LYS 44 -6.478 -11.761 -4.580 348 HZ2 LYS 44 HZ2 LYS 44 -4.989 -11.709 -5.379 349 HZ3 LYS 44 HZ3 LYS 44 -6.263 -10.728 -5.903 350 H LYS 45 HN LYS 45 -0.358 -10.377 0.746 351 HA LYS 45 HA LYS 45 -1.516 -11.282 3.125 352 HB2 LYS 45 HB2 LYS 45 1.127 -11.291 1.908 353 HB3 LYS 45 HB1 LYS 45 1.199 -11.146 3.658 354 HG2 LYS 45 HG2 LYS 45 1.308 -13.470 2.984 355 HG3 LYS 45 HG1 LYS 45 -0.174 -13.153 3.887 356 HD2 LYS 45 HD2 LYS 45 -1.341 -12.889 1.674 357 HD3 LYS 45 HD1 LYS 45 0.135 -13.482 0.909 358 HE2 LYS 45 HE2 LYS 45 -1.554 -14.954 2.928 359 HE3 LYS 45 HE1 LYS 45 -1.460 -15.291 1.200 360 HZ1 LYS 45 HZ1 LYS 45 0.803 -15.510 3.112 361 HZ2 LYS 45 HZ2 LYS 45 0.857 -15.880 1.463 362 HZ3 LYS 45 HZ3 LYS 45 -0.094 -16.811 2.507 363 H VAL 46 HN VAL 46 0.567 -8.469 2.499 364 HA VAL 46 HA VAL 46 0.801 -7.587 5.122 365 HB VAL 46 HB VAL 46 1.991 -6.632 3.085 366 HG11 VAL 46 HG11 VAL 46 0.987 -5.120 1.685 367 HG12 VAL 46 HG12 VAL 46 -0.202 -4.637 2.891 368 HG13 VAL 46 HG13 VAL 46 -0.393 -6.161 2.034 369 HG21 VAL 46 HG21 VAL 46 2.378 -4.552 4.145 370 HG22 VAL 46 HG22 VAL 46 1.998 -5.700 5.429 371 HG23 VAL 46 HG23 VAL 46 0.779 -4.549 4.888 372 H PHE 47 HN PHE 47 -1.900 -7.533 2.975 373 HA PHE 47 HA PHE 47 -3.474 -5.513 3.863 374 HD1 PHE 47 HD1 PHE 47 -5.203 -4.673 3.389 375 HD2 PHE 47 HD2 PHE 47 -6.751 -8.617 2.988 376 HE1 PHE 47 HE1 PHE 47 -7.495 -3.784 3.514 377 HE2 PHE 47 HE2 PHE 47 -9.044 -7.735 3.112 378 HZ PHE 47 HZ PHE 47 -9.418 -5.315 3.375 379 HB2 PHE 47 HB2 PHE 47 -4.079 -7.137 2.087 380 HB3 PHE 47 HB1 PHE 47 -4.463 -8.297 3.352 381 H HIS 48 HN HIS 48 -3.026 -8.667 5.410 382 HA HIS 48 HA HIS 48 -4.862 -8.121 7.546 383 HD1 HIS 48 HD1 HIS 48 -5.816 -11.703 7.999 384 HD2 HIS 48 HD2 HIS 48 -3.885 -10.323 4.589 385 HE1 HIS 48 HE1 HIS 48 -6.961 -12.841 6.070 386 HE2 HIS 48 HE2 HIS 48 -5.830 -11.928 4.013 387 HB2 HIS 48 HB2 HIS 48 -2.666 -10.205 7.370 388 HB3 HIS 48 HB1 HIS 48 -3.965 -10.176 8.558 389 H ILE 49 HN ILE 49 -1.413 -7.840 7.011 390 HA ILE 49 HA ILE 49 -0.592 -7.273 9.627 391 HB ILE 49 HB ILE 49 0.537 -6.067 7.099 392 HG12 ILE 49 HG12 ILE 49 0.425 -8.464 6.800 393 HG13 ILE 49 HG11 ILE 49 2.091 -8.007 7.122 394 HG21 ILE 49 HG21 ILE 49 1.369 -5.045 9.140 395 HG22 ILE 49 HG22 ILE 49 2.633 -5.996 8.360 396 HG23 ILE 49 HG23 ILE 49 1.801 -6.632 9.778 397 HD11 ILE 49 HD11 ILE 49 1.766 -8.690 9.477 398 HD12 ILE 49 HD12 ILE 49 1.617 -9.998 8.301 399 HD13 ILE 49 HD13 ILE 49 0.170 -9.294 9.026 400 H LEU 50 HN LEU 50 -1.504 -5.090 6.969 401 HA LEU 50 HA LEU 50 -1.497 -2.779 8.652 402 HG LEU 50 HG LEU 50 -2.928 -4.331 5.656 403 HB2 LEU 50 HB2 LEU 50 -2.244 -1.622 6.667 404 HB3 LEU 50 HB1 LEU 50 -0.922 -2.699 6.278 405 HD11 LEU 50 HD11 LEU 50 -4.793 -3.202 4.698 406 HD12 LEU 50 HD12 LEU 50 -4.062 -1.624 4.983 407 HD13 LEU 50 HD13 LEU 50 -4.610 -2.599 6.343 408 HD21 LEU 50 HD21 LEU 50 -2.023 -2.117 3.825 409 HD22 LEU 50 HD22 LEU 50 -2.577 -3.727 3.367 410 HD23 LEU 50 HD23 LEU 50 -1.052 -3.531 4.230 411 H ASP 51 HN ASP 51 -3.940 -4.902 7.212 412 HA ASP 51 HA ASP 51 -5.970 -3.585 8.895 413 HB2 ASP 51 HB2 ASP 51 -6.022 -4.495 6.111 414 HB3 ASP 51 HB1 ASP 51 -7.389 -5.070 7.062 415 H LYS 52 HN LYS 52 -5.280 -4.914 10.652 416 HA LYS 52 HA LYS 52 -5.035 -7.619 10.816 417 HB2 LYS 52 HB2 LYS 52 -5.742 -7.391 13.169 418 HB3 LYS 52 HB1 LYS 52 -4.606 -6.140 12.672 419 HG2 LYS 52 HG2 LYS 52 -6.477 -4.577 12.372 420 HG3 LYS 52 HG1 LYS 52 -7.588 -5.829 12.932 421 HD2 LYS 52 HD2 LYS 52 -6.790 -5.769 15.085 422 HD3 LYS 52 HD1 LYS 52 -5.269 -4.997 14.622 423 HE2 LYS 52 HE2 LYS 52 -6.614 -2.972 13.994 424 HE3 LYS 52 HE1 LYS 52 -8.016 -3.758 14.714 425 HZ1 LYS 52 HZ1 LYS 52 -6.826 -3.843 16.825 426 HZ2 LYS 52 HZ2 LYS 52 -6.983 -2.252 16.277 427 HZ3 LYS 52 HZ3 LYS 52 -5.501 -3.052 16.128 428 H ASP 53 HN ASP 53 -8.061 -5.775 11.062 429 HA ASP 53 HA ASP 53 -9.705 -8.054 11.468 430 HB2 ASP 53 HB2 ASP 53 -10.418 -5.820 12.161 431 HB3 ASP 53 HB1 ASP 53 -10.415 -5.286 10.482 432 H LYS 54 HN LYS 54 -8.142 -6.803 8.718 433 HA LYS 54 HA LYS 54 -8.405 -7.100 6.475 434 HB2 LYS 54 HB2 LYS 54 -7.560 -9.252 7.140 435 HB3 LYS 54 HB1 LYS 54 -9.189 -9.837 7.460 436 HG2 LYS 54 HG2 LYS 54 -9.036 -8.792 4.800 437 HG3 LYS 54 HG1 LYS 54 -7.736 -9.959 5.059 438 HD2 LYS 54 HD2 LYS 54 -9.325 -11.635 5.779 439 HD3 LYS 54 HD1 LYS 54 -10.649 -10.473 5.665 440 HE2 LYS 54 HE2 LYS 54 -10.606 -11.957 3.727 441 HE3 LYS 54 HE1 LYS 54 -10.293 -10.285 3.260 442 HZ1 LYS 54 HZ1 LYS 54 -7.934 -10.784 3.173 443 HZ2 LYS 54 HZ2 LYS 54 -8.794 -11.820 2.148 444 HZ3 LYS 54 HZ3 LYS 54 -8.225 -12.386 3.637 445 H SER 55 HN SER 55 -10.629 -5.983 7.829 446 HA SER 55 HA SER 55 -13.126 -6.840 7.483 447 HG SER 55 HG SER 55 -14.121 -3.788 6.148 448 HB2 SER 55 HB2 SER 55 -12.653 -4.608 8.289 449 HB3 SER 55 HB1 SER 55 -12.118 -4.103 6.687 450 H GLY 56 HN GLY 56 -10.979 -6.108 4.813 451 HA2 GLY 56 HA2 GLY 56 -11.326 -7.205 2.702 452 HA3 GLY 56 HA1 GLY 56 -13.058 -7.093 2.979 453 H PHE 57 HN PHE 57 -12.263 -4.212 3.989 454 HA PHE 57 HA PHE 57 -11.548 -2.882 1.550 455 HD1 PHE 57 HD2 PHE 57 -14.901 -4.903 2.154 456 HD2 PHE 57 HD1 PHE 57 -13.433 -2.262 -0.844 457 HE1 PHE 57 HE2 PHE 57 -15.679 -6.454 0.411 458 HE2 PHE 57 HE1 PHE 57 -14.210 -3.808 -2.592 459 HZ PHE 57 HZ PHE 57 -15.334 -5.909 -1.965 460 HB2 PHE 57 HB2 PHE 57 -14.349 -2.564 2.650 461 HB3 PHE 57 HB1 PHE 57 -13.631 -1.531 1.414 462 H ILE 58 HN ILE 58 -10.446 -1.130 2.054 463 HA ILE 58 HA ILE 58 -10.688 -0.061 4.785 464 HB ILE 58 HB ILE 58 -8.443 0.785 3.025 465 HG12 ILE 58 HG12 ILE 58 -8.378 -1.864 4.483 466 HG13 ILE 58 HG11 ILE 58 -8.656 -1.729 2.753 467 HG21 ILE 58 HG21 ILE 58 -8.197 -0.120 5.849 468 HG22 ILE 58 HG22 ILE 58 -9.051 1.385 5.516 469 HG23 ILE 58 HG23 ILE 58 -7.371 1.197 5.012 470 HD11 ILE 58 HD11 ILE 58 -6.347 -2.260 3.182 471 HD12 ILE 58 HD12 ILE 58 -6.193 -0.861 4.242 472 HD13 ILE 58 HD13 ILE 58 -6.466 -0.633 2.515 473 H GLU 59 HN GLU 59 -10.906 2.131 5.110 474 HA GLU 59 HA GLU 59 -12.198 3.480 2.853 475 HB2 GLU 59 HB2 GLU 59 -12.677 3.304 5.738 476 HB3 GLU 59 HB1 GLU 59 -12.896 4.914 5.054 477 HG2 GLU 59 HG2 GLU 59 -14.516 4.076 3.481 478 HG3 GLU 59 HG1 GLU 59 -14.231 2.422 4.020 479 H GLU 60 HN GLU 60 -11.382 5.162 2.003 480 HA GLU 60 HA GLU 60 -8.965 6.215 2.098 481 HB2 GLU 60 HB2 GLU 60 -9.988 8.389 1.369 482 HB3 GLU 60 HB1 GLU 60 -10.570 6.971 0.503 483 HG2 GLU 60 HG2 GLU 60 -12.358 7.029 2.459 484 HG3 GLU 60 HG1 GLU 60 -11.963 8.744 2.405 485 H ASP 61 HN ASP 61 -11.485 6.985 4.413 486 HA ASP 61 HA ASP 61 -10.163 9.187 5.593 487 HB2 ASP 61 HB2 ASP 61 -12.562 8.876 5.869 488 HB3 ASP 61 HB1 ASP 61 -12.297 7.345 6.701 489 H GLU 62 HN GLU 62 -10.461 5.788 6.605 490 HA GLU 62 HA GLU 62 -8.467 6.207 8.693 491 HB2 GLU 62 HB2 GLU 62 -10.081 3.786 7.877 492 HB3 GLU 62 HB1 GLU 62 -8.877 3.761 9.160 493 HG2 GLU 62 HG2 GLU 62 -11.373 5.442 9.090 494 HG3 GLU 62 HG1 GLU 62 -11.101 4.007 10.077 495 H LEU 63 HN LEU 63 -8.706 4.976 5.498 496 HA LEU 63 HA LEU 63 -6.691 3.233 5.178 497 HG LEU 63 HG LEU 63 -8.420 2.596 3.637 498 HB2 LEU 63 HB2 LEU 63 -8.127 5.143 3.591 499 HB3 LEU 63 HB1 LEU 63 -6.529 4.828 2.952 500 HD11 LEU 63 HD11 LEU 63 -8.557 4.466 1.375 501 HD12 LEU 63 HD12 LEU 63 -9.789 3.404 2.047 502 HD13 LEU 63 HD13 LEU 63 -8.581 2.759 0.939 503 HD21 LEU 63 HD21 LEU 63 -6.757 1.312 2.889 504 HD22 LEU 63 HD22 LEU 63 -5.787 2.755 2.832 505 HD23 LEU 63 HD23 LEU 63 -6.654 2.241 1.396 506 H GLY 64 HN GLY 64 -6.410 6.735 4.955 507 HA2 GLY 64 HA2 GLY 64 -3.631 6.808 4.541 508 HA3 GLY 64 HA1 GLY 64 -4.607 8.143 5.150 509 H SER 65 HN SER 65 -5.393 6.095 7.371 510 HA SER 65 HA SER 65 -3.215 6.877 9.152 511 HG SER 65 HG SER 65 -3.968 6.815 11.454 512 HB2 SER 65 HB2 SER 65 -5.570 7.258 9.851 513 HB3 SER 65 HB1 SER 65 -5.850 5.516 9.767 514 H ILE 66 HN ILE 66 -5.104 3.997 8.376 515 HA ILE 66 HA ILE 66 -3.556 2.120 9.713 516 HB ILE 66 HB ILE 66 -5.850 1.832 8.660 517 HG12 ILE 66 HG12 ILE 66 -5.509 -0.591 8.286 518 HG13 ILE 66 HG11 ILE 66 -3.767 -0.324 8.269 519 HG21 ILE 66 HG21 ILE 66 -4.201 1.223 6.215 520 HG22 ILE 66 HG22 ILE 66 -5.320 2.573 6.418 521 HG23 ILE 66 HG23 ILE 66 -5.929 0.916 6.394 522 HD11 ILE 66 HD11 ILE 66 -5.293 0.638 10.620 523 HD12 ILE 66 HD12 ILE 66 -3.655 -0.008 10.518 524 HD13 ILE 66 HD13 ILE 66 -5.040 -1.097 10.445 525 H LEU 67 HN LEU 67 -2.941 3.781 6.732 526 HA LEU 67 HA LEU 67 -1.280 2.099 5.316 527 HG LEU 67 HG LEU 67 -1.478 5.039 3.226 528 HB2 LEU 67 HB2 LEU 67 -1.690 4.963 5.598 529 HB3 LEU 67 HB1 LEU 67 -0.025 4.578 5.204 530 HD11 LEU 67 HD11 LEU 67 -0.150 2.376 3.538 531 HD12 LEU 67 HD12 LEU 67 0.510 3.839 2.818 532 HD13 LEU 67 HD13 LEU 67 -0.767 2.945 1.990 533 HD21 LEU 67 HD21 LEU 67 -3.550 4.178 3.447 534 HD22 LEU 67 HD22 LEU 67 -3.003 2.821 4.429 535 HD23 LEU 67 HD23 LEU 67 -2.809 2.776 2.678 536 H LYS 68 HN LYS 68 -0.689 3.630 8.364 537 HA LYS 68 HA LYS 68 2.048 3.667 8.526 538 HB2 LYS 68 HB2 LYS 68 0.080 2.882 10.674 539 HB3 LYS 68 HB1 LYS 68 1.752 3.357 10.950 540 HG2 LYS 68 HG2 LYS 68 1.348 5.572 10.390 541 HG3 LYS 68 HG1 LYS 68 -0.121 5.175 9.494 542 HD2 LYS 68 HD2 LYS 68 -1.368 4.885 11.448 543 HD3 LYS 68 HD1 LYS 68 0.075 4.705 12.451 544 HE2 LYS 68 HE2 LYS 68 -0.473 7.258 10.993 545 HE3 LYS 68 HE1 LYS 68 -1.250 6.926 12.541 546 HZ1 LYS 68 HZ1 LYS 68 1.679 6.979 12.044 547 HZ2 LYS 68 HZ2 LYS 68 0.944 6.648 13.531 548 HZ3 LYS 68 HZ3 LYS 68 0.788 8.181 12.834 549 H GLY 69 HN GLY 69 -0.035 0.902 8.311 550 HA2 GLY 69 HA2 GLY 69 1.224 -1.167 9.494 551 HA3 GLY 69 HA1 GLY 69 0.588 -1.292 7.858 552 H PHE 70 HN PHE 70 2.213 0.085 6.295 553 HA PHE 70 HA PHE 70 4.789 -1.249 6.670 554 HD1 PHE 70 HD2 PHE 70 1.767 -1.874 4.845 555 HD2 PHE 70 HD1 PHE 70 3.872 1.283 2.917 556 HE1 PHE 70 HE2 PHE 70 -0.278 -1.260 3.622 557 HE2 PHE 70 HE1 PHE 70 1.835 1.907 1.683 558 HZ PHE 70 HZ PHE 70 -0.246 0.626 2.039 559 HB2 PHE 70 HB2 PHE 70 5.019 -0.193 4.206 560 HB3 PHE 70 HB1 PHE 70 4.369 -1.790 4.520 561 H SER 71 HN SER 71 3.363 1.889 5.997 562 HA SER 71 HA SER 71 5.787 3.347 5.863 563 HG SER 71 HG SER 71 1.981 4.384 5.516 564 HB2 SER 71 HB2 SER 71 4.211 5.341 6.152 565 HB3 SER 71 HB1 SER 71 3.972 4.308 4.742 566 H SER 72 HN SER 72 4.506 1.917 8.555 567 HA SER 72 HA SER 72 4.420 3.780 10.556 568 HG SER 72 HG SER 72 4.995 2.554 12.861 569 HB2 SER 72 HB2 SER 72 3.963 1.537 11.160 570 HB3 SER 72 HB1 SER 72 5.526 0.973 10.571 571 H ASP 73 HN ASP 73 7.216 2.758 8.761 572 HA ASP 73 HA ASP 73 9.021 4.128 10.606 573 HB2 ASP 73 HB2 ASP 73 9.799 2.720 8.065 574 HB3 ASP 73 HB1 ASP 73 10.806 3.124 9.451 575 H ALA 74 HN ALA 74 7.394 4.608 7.605 576 HA ALA 74 HA ALA 74 9.150 6.792 6.806 577 HB1 ALA 74 HB1 ALA 74 6.748 5.553 5.474 578 HB2 ALA 74 HB2 ALA 74 8.440 5.373 5.019 579 HB3 ALA 74 HB3 ALA 74 7.636 6.929 4.822 580 H ARG 75 HN ARG 75 5.647 6.856 6.394 581 HA ARG 75 HA ARG 75 5.231 8.802 8.460 582 HE ARG 75 HE ARG 75 8.491 12.225 7.149 583 HB2 ARG 75 HB2 ARG 75 5.200 9.665 5.569 584 HB3 ARG 75 HB1 ARG 75 4.437 10.581 6.862 585 HG2 ARG 75 HG2 ARG 75 6.640 10.769 7.971 586 HG3 ARG 75 HG1 ARG 75 7.368 9.950 6.586 587 HD2 ARG 75 HD2 ARG 75 6.618 11.727 5.110 588 HD3 ARG 75 HD1 ARG 75 5.815 12.533 6.462 589 HH11 ARG 75 HH11 ARG 75 6.591 13.899 4.762 590 HH12 ARG 75 HH12 ARG 75 7.714 15.206 4.596 591 HH21 ARG 75 HH21 ARG 75 9.979 13.941 6.940 592 HH22 ARG 75 HH22 ARG 75 9.641 15.230 5.833 593 H ASP 76 HN ASP 76 3.458 8.821 5.409 594 HA ASP 76 HA ASP 76 1.558 6.894 5.807 595 HB2 ASP 76 HB2 ASP 76 -0.328 8.302 6.809 596 HB3 ASP 76 HB1 ASP 76 0.899 7.718 7.921 597 H LEU 77 HN LEU 77 -0.659 7.546 4.862 598 HA LEU 77 HA LEU 77 -0.192 9.200 2.457 599 HG LEU 77 HG LEU 77 -1.039 5.663 1.375 600 HB2 LEU 77 HB2 LEU 77 -2.096 6.927 3.047 601 HB3 LEU 77 HB1 LEU 77 -2.207 7.915 1.604 602 HD11 LEU 77 HD11 LEU 77 0.626 8.031 0.594 603 HD12 LEU 77 HD12 LEU 77 -0.870 7.573 -0.221 604 HD13 LEU 77 HD13 LEU 77 0.507 6.472 -0.220 605 HD21 LEU 77 HD21 LEU 77 1.235 5.477 2.074 606 HD22 LEU 77 HD22 LEU 77 0.260 5.896 3.479 607 HD23 LEU 77 HD23 LEU 77 1.234 7.129 2.689 608 H SER 78 HN SER 78 -0.737 11.231 3.381 609 HA SER 78 HA SER 78 -2.974 11.683 5.034 610 HG SER 78 HG SER 78 -2.425 15.196 4.521 611 HB2 SER 78 HB2 SER 78 -1.121 13.278 4.896 612 HB3 SER 78 HB1 SER 78 -1.516 13.612 3.211 613 H ALA 79 HN ALA 79 -4.556 13.591 4.100 614 HA ALA 79 HA ALA 79 -6.516 12.364 2.624 615 HB1 ALA 79 HB1 ALA 79 -7.460 14.545 2.244 616 HB2 ALA 79 HB2 ALA 79 -5.895 15.312 2.521 617 HB3 ALA 79 HB3 ALA 79 -6.738 14.518 3.854 618 H LYS 80 HN LYS 80 -4.001 14.537 1.441 619 HA LYS 80 HA LYS 80 -4.559 14.616 -1.246 620 HB2 LYS 80 HB2 LYS 80 -2.798 15.950 -0.243 621 HB3 LYS 80 HB1 LYS 80 -1.873 14.500 0.139 622 HG2 LYS 80 HG2 LYS 80 -1.648 14.058 -2.286 623 HG3 LYS 80 HG1 LYS 80 -2.474 15.585 -2.609 624 HD2 LYS 80 HD2 LYS 80 0.087 15.308 -1.038 625 HD3 LYS 80 HD1 LYS 80 -0.005 15.762 -2.739 626 HE2 LYS 80 HE2 LYS 80 -1.256 17.275 -0.449 627 HE3 LYS 80 HE1 LYS 80 0.244 17.713 -1.267 628 HZ1 LYS 80 HZ1 LYS 80 -2.437 17.563 -2.534 629 HZ2 LYS 80 HZ2 LYS 80 -1.001 17.986 -3.320 630 HZ3 LYS 80 HZ3 LYS 80 -1.626 18.984 -2.107 631 H GLU 81 HN GLU 81 -2.437 12.276 0.388 632 HA GLU 81 HA GLU 81 -2.045 10.710 -1.967 633 HB2 GLU 81 HB2 GLU 81 -1.495 9.648 0.745 634 HB3 GLU 81 HB1 GLU 81 -0.516 9.529 -0.700 635 HG2 GLU 81 HG2 GLU 81 -0.689 11.755 1.277 636 HG3 GLU 81 HG1 GLU 81 0.729 10.877 0.703 637 H THR 82 HN THR 82 -4.291 10.717 0.684 638 HA THR 82 HA THR 82 -5.123 8.024 0.473 639 HB THR 82 HB THR 82 -6.690 10.475 1.321 640 HG1 THR 82 HG1 THR 82 -6.184 9.635 3.438 641 HG21 THR 82 HG21 THR 82 -7.335 7.645 2.074 642 HG22 THR 82 HG22 THR 82 -7.993 8.370 0.609 643 HG23 THR 82 HG23 THR 82 -8.352 9.082 2.181 644 H LYS 83 HN LYS 83 -6.297 11.045 -0.918 645 HA LYS 83 HA LYS 83 -8.158 9.793 -2.680 646 HB2 LYS 83 HB2 LYS 83 -7.037 12.594 -2.543 647 HB3 LYS 83 HB1 LYS 83 -8.238 12.096 -3.725 648 HG2 LYS 83 HG2 LYS 83 -8.827 11.569 -0.869 649 HG3 LYS 83 HG1 LYS 83 -8.890 13.241 -1.430 650 HD2 LYS 83 HD2 LYS 83 -11.082 12.120 -1.563 651 HD3 LYS 83 HD1 LYS 83 -10.495 12.639 -3.144 652 HE2 LYS 83 HE2 LYS 83 -9.749 10.370 -3.623 653 HE3 LYS 83 HE1 LYS 83 -10.285 9.844 -2.027 654 HZ1 LYS 83 HZ1 LYS 83 -11.898 9.290 -3.738 655 HZ2 LYS 83 HZ2 LYS 83 -12.038 10.918 -4.171 656 HZ3 LYS 83 HZ3 LYS 83 -12.551 10.404 -2.644 657 H THR 84 HN THR 84 -4.783 10.697 -2.844 658 HA THR 84 HA THR 84 -4.703 10.457 -5.715 659 HB THR 84 HB THR 84 -2.437 10.922 -3.804 660 HG1 THR 84 HG1 THR 84 -4.218 12.575 -4.132 661 HG21 THR 84 HG21 THR 84 -1.681 9.949 -5.912 662 HG22 THR 84 HG22 THR 84 -1.200 11.642 -5.798 663 HG23 THR 84 HG23 THR 84 -2.570 11.180 -6.808 664 H LEU 85 HN LEU 85 -3.041 8.851 -3.033 665 HA LEU 85 HA LEU 85 -2.089 6.741 -4.747 666 HG LEU 85 HG LEU 85 0.106 5.603 -1.988 667 HB2 LEU 85 HB2 LEU 85 -0.699 7.572 -2.956 668 HB3 LEU 85 HB1 LEU 85 -1.917 7.129 -1.779 669 HD11 LEU 85 HD11 LEU 85 -2.250 5.097 -1.010 670 HD12 LEU 85 HD12 LEU 85 -1.103 3.786 -1.273 671 HD13 LEU 85 HD13 LEU 85 -2.406 4.059 -2.429 672 HD21 LEU 85 HD21 LEU 85 0.001 3.916 -3.760 673 HD22 LEU 85 HD22 LEU 85 0.224 5.537 -4.417 674 HD23 LEU 85 HD23 LEU 85 -1.362 4.768 -4.484 675 H MET 86 HN MET 86 -4.332 6.830 -1.929 676 HA MET 86 HA MET 86 -4.888 4.081 -1.996 677 HB2 MET 86 HB2 MET 86 -5.574 6.217 -0.396 678 HB3 MET 86 HB1 MET 86 -7.106 5.743 -1.110 679 HG2 MET 86 HG2 MET 86 -6.692 4.643 1.030 680 HG3 MET 86 HG1 MET 86 -6.810 3.481 -0.290 681 HE1 MET 86 HE1 MET 86 -4.349 5.473 2.050 682 HE2 MET 86 HE2 MET 86 -3.753 5.834 0.430 683 HE3 MET 86 HE3 MET 86 -2.789 4.842 1.522 684 H ALA 87 HN ALA 87 -6.709 6.813 -3.342 685 HA ALA 87 HA ALA 87 -8.744 5.313 -4.540 686 HB1 ALA 87 HB1 ALA 87 -7.657 7.889 -5.652 687 HB2 ALA 87 HB2 ALA 87 -8.642 7.825 -4.185 688 HB3 ALA 87 HB3 ALA 87 -9.308 7.274 -5.727 689 H ALA 88 HN ALA 88 -5.426 5.797 -5.441 690 HA ALA 88 HA ALA 88 -5.662 5.193 -8.207 691 HB1 ALA 88 HB1 ALA 88 -3.264 4.925 -8.185 692 HB2 ALA 88 HB2 ALA 88 -3.256 4.804 -6.426 693 HB3 ALA 88 HB3 ALA 88 -3.695 6.325 -7.204 694 H GLY 89 HN GLY 89 -4.375 3.215 -5.515 695 HA2 GLY 89 HA2 GLY 89 -4.268 0.784 -6.829 696 HA3 GLY 89 HA1 GLY 89 -4.564 0.955 -5.102 697 H ASP 90 HN ASP 90 -6.976 2.542 -5.611 698 HA ASP 90 HA ASP 90 -8.827 0.341 -6.080 699 HB2 ASP 90 HB2 ASP 90 -9.150 1.542 -4.020 700 HB3 ASP 90 HB1 ASP 90 -9.148 3.091 -4.856 701 H LYS 91 HN LYS 91 -7.453 1.424 -8.293 702 HA LYS 91 HA LYS 91 -8.326 3.341 -9.875 703 HB2 LYS 91 HB2 LYS 91 -6.709 1.510 -10.377 704 HB3 LYS 91 HB1 LYS 91 -8.078 0.484 -10.770 705 HG2 LYS 91 HG2 LYS 91 -7.859 3.082 -12.160 706 HG3 LYS 91 HG1 LYS 91 -6.736 1.792 -12.588 707 HD2 LYS 91 HD2 LYS 91 -8.534 0.308 -13.126 708 HD3 LYS 91 HD1 LYS 91 -9.720 1.447 -12.489 709 HE2 LYS 91 HE2 LYS 91 -9.092 3.048 -14.248 710 HE3 LYS 91 HE1 LYS 91 -7.947 1.870 -14.888 711 HZ1 LYS 91 HZ1 LYS 91 -10.888 1.493 -14.706 712 HZ2 LYS 91 HZ2 LYS 91 -9.788 0.373 -15.333 713 HZ3 LYS 91 HZ3 LYS 91 -10.028 1.852 -16.119 714 H ASP 92 HN ASP 92 -10.049 0.209 -9.734 715 HA ASP 92 HA ASP 92 -12.283 1.400 -11.174 716 HB2 ASP 92 HB2 ASP 92 -11.771 -1.436 -10.265 717 HB3 ASP 92 HB1 ASP 92 -13.196 -0.922 -11.165 718 H GLY 93 HN GLY 93 -11.834 2.398 -8.517 719 HA2 GLY 93 HA2 GLY 93 -14.378 1.560 -7.309 720 HA3 GLY 93 HA1 GLY 93 -12.927 1.693 -6.342 721 H ASP 94 HN ASP 94 -14.088 3.190 -5.013 722 HA ASP 94 HA ASP 94 -14.393 5.855 -6.230 723 HB2 ASP 94 HB2 ASP 94 -16.481 4.860 -5.331 724 HB3 ASP 94 HB1 ASP 94 -15.734 4.785 -3.740 725 H GLY 95 HN GLY 95 -12.261 4.169 -4.335 726 HA2 GLY 95 HA2 GLY 95 -10.445 5.862 -3.614 727 HA3 GLY 95 HA1 GLY 95 -11.732 6.471 -2.600 728 H LYS 96 HN LYS 96 -12.315 3.339 -2.591 729 HA LYS 96 HA LYS 96 -10.815 2.896 -0.112 730 HB2 LYS 96 HB2 LYS 96 -12.952 1.011 -1.012 731 HB3 LYS 96 HB1 LYS 96 -12.548 1.540 0.606 732 HG2 LYS 96 HG2 LYS 96 -13.829 3.395 -1.362 733 HG3 LYS 96 HG1 LYS 96 -14.775 2.290 -0.365 734 HD2 LYS 96 HD2 LYS 96 -13.941 3.288 1.644 735 HD3 LYS 96 HD1 LYS 96 -12.797 4.281 0.736 736 HE2 LYS 96 HE2 LYS 96 -14.604 5.705 1.293 737 HE3 LYS 96 HE1 LYS 96 -14.797 5.311 -0.419 738 HZ1 LYS 96 HZ1 LYS 96 -16.894 5.171 0.780 739 HZ2 LYS 96 HZ2 LYS 96 -16.251 4.001 1.819 740 HZ3 LYS 96 HZ3 LYS 96 -16.443 3.657 0.174 741 H ILE 97 HN ILE 97 -9.431 1.140 0.118 742 HA ILE 97 HA ILE 97 -8.978 -0.401 -2.349 743 HB ILE 97 HB ILE 97 -7.017 0.291 -0.155 744 HG12 ILE 97 HG12 ILE 97 -7.280 1.126 -3.047 745 HG13 ILE 97 HG11 ILE 97 -7.343 2.158 -1.621 746 HG21 ILE 97 HG21 ILE 97 -5.333 -0.857 -1.565 747 HG22 ILE 97 HG22 ILE 97 -6.637 -1.444 -2.594 748 HG23 ILE 97 HG23 ILE 97 -6.548 -1.952 -0.908 749 HD11 ILE 97 HD11 ILE 97 -5.225 2.357 -2.847 750 HD12 ILE 97 HD12 ILE 97 -4.913 0.644 -2.561 751 HD13 ILE 97 HD13 ILE 97 -4.994 1.766 -1.203 752 H GLY 98 HN GLY 98 -9.832 -2.343 -2.237 753 HA2 GLY 98 HA2 GLY 98 -9.865 -3.751 0.346 754 HA3 GLY 98 HA1 GLY 98 -10.885 -4.130 -1.038 755 H VAL 99 HN VAL 99 -9.455 -6.135 0.233 756 HA VAL 99 HA VAL 99 -6.921 -6.724 -0.636 757 HB VAL 99 HB VAL 99 -8.311 -8.158 0.881 758 HG11 VAL 99 HG11 VAL 99 -9.792 -9.807 -0.010 759 HG12 VAL 99 HG12 VAL 99 -9.397 -9.344 -1.666 760 HG13 VAL 99 HG13 VAL 99 -10.299 -8.236 -0.631 761 HG21 VAL 99 HG21 VAL 99 -7.283 -10.268 0.177 762 HG22 VAL 99 HG22 VAL 99 -6.155 -8.918 0.043 763 HG23 VAL 99 HG23 VAL 99 -6.931 -9.567 -1.402 764 H GLU 100 HN GLU 100 -9.913 -6.870 -2.439 765 HA GLU 100 HA GLU 100 -8.881 -8.225 -4.708 766 HB2 GLU 100 HB2 GLU 100 -10.966 -7.564 -5.802 767 HB3 GLU 100 HB1 GLU 100 -11.257 -8.219 -4.196 768 HG2 GLU 100 HG2 GLU 100 -11.310 -5.893 -3.355 769 HG3 GLU 100 HG1 GLU 100 -11.301 -5.346 -5.026 770 H GLU 101 HN GLU 101 -9.589 -4.810 -4.046 771 HA GLU 101 HA GLU 101 -8.692 -3.877 -6.570 772 HB2 GLU 101 HB2 GLU 101 -9.882 -2.813 -4.189 773 HB3 GLU 101 HB1 GLU 101 -8.539 -1.790 -4.679 774 HG2 GLU 101 HG2 GLU 101 -10.648 -1.048 -5.644 775 HG3 GLU 101 HG1 GLU 101 -9.503 -1.538 -6.888 776 H PHE 102 HN PHE 102 -7.116 -4.561 -3.549 777 HA PHE 102 HA PHE 102 -4.839 -2.998 -3.718 778 HD1 PHE 102 HD2 PHE 102 -4.740 -2.780 -0.827 779 HD2 PHE 102 HD1 PHE 102 -2.235 -5.655 -2.680 780 HE1 PHE 102 HE2 PHE 102 -2.815 -1.898 0.430 781 HE2 PHE 102 HE1 PHE 102 -0.294 -4.789 -1.431 782 HZ PHE 102 HZ PHE 102 -0.587 -2.905 0.128 783 HB2 PHE 102 HB2 PHE 102 -5.626 -4.818 -1.955 784 HB3 PHE 102 HB1 PHE 102 -4.542 -5.847 -2.874 785 H SER 103 HN SER 103 -5.810 -5.724 -5.617 786 HA SER 103 HA SER 103 -3.245 -6.345 -6.702 787 HG SER 103 HG SER 103 -4.182 -7.197 -9.255 788 HB2 SER 103 HB2 SER 103 -5.086 -7.986 -6.688 789 HB3 SER 103 HB1 SER 103 -6.008 -6.958 -7.785 790 H THR 104 HN THR 104 -6.020 -4.418 -7.810 791 HA THR 104 HA THR 104 -5.048 -3.738 -10.331 792 HB THR 104 HB THR 104 -6.707 -1.952 -8.527 793 HG1 THR 104 HG1 THR 104 -7.431 -4.241 -9.148 794 HG21 THR 104 HG21 THR 104 -7.578 -1.345 -10.955 795 HG22 THR 104 HG22 THR 104 -5.967 -1.896 -11.420 796 HG23 THR 104 HG23 THR 104 -6.145 -0.565 -10.277 797 H LEU 105 HN LEU 105 -4.349 -2.419 -7.154 798 HA LEU 105 HA LEU 105 -2.972 -0.105 -7.904 799 HG LEU 105 HG LEU 105 -2.557 1.173 -5.721 800 HB2 LEU 105 HB2 LEU 105 -3.644 -0.985 -5.562 801 HB3 LEU 105 HB1 LEU 105 -2.101 -1.804 -5.593 802 HD11 LEU 105 HD11 LEU 105 -1.227 1.088 -3.595 803 HD12 LEU 105 HD12 LEU 105 -1.459 -0.659 -3.613 804 HD13 LEU 105 HD13 LEU 105 -2.853 0.413 -3.506 805 HD21 LEU 105 HD21 LEU 105 -0.005 1.162 -5.496 806 HD22 LEU 105 HD22 LEU 105 -0.724 0.871 -7.081 807 HD23 LEU 105 HD23 LEU 105 -0.106 -0.481 -6.132 808 H VAL 106 HN VAL 106 -1.874 -3.450 -7.626 809 HA VAL 106 HA VAL 106 0.858 -3.073 -7.948 810 HB VAL 106 HB VAL 106 -0.800 -5.335 -9.083 811 HG11 VAL 106 HG11 VAL 106 1.414 -5.279 -10.061 812 HG12 VAL 106 HG12 VAL 106 1.296 -6.625 -8.929 813 HG13 VAL 106 HG13 VAL 106 2.145 -5.153 -8.460 814 HG21 VAL 106 HG21 VAL 106 -1.169 -5.054 -6.692 815 HG22 VAL 106 HG22 VAL 106 0.572 -5.070 -6.408 816 HG23 VAL 106 HG23 VAL 106 -0.236 -6.517 -7.009 817 H ALA 107 HN ALA 107 -1.743 -3.082 -10.288 818 HA ALA 107 HA ALA 107 0.007 -2.919 -12.571 819 HB1 ALA 107 HB1 ALA 107 -2.968 -2.445 -12.382 820 HB2 ALA 107 HB2 ALA 107 -2.198 -3.997 -12.715 821 HB3 ALA 107 HB3 ALA 107 -2.037 -2.668 -13.863 822 H GLU 108 HN GLU 108 -1.804 -0.728 -10.523 823 HA GLU 108 HA GLU 108 -1.808 1.592 -12.018 824 HB2 GLU 108 HB2 GLU 108 -1.509 1.154 -9.056 825 HB3 GLU 108 HB1 GLU 108 -1.620 2.763 -9.758 826 HG2 GLU 108 HG2 GLU 108 -3.691 0.751 -10.440 827 HG3 GLU 108 HG1 GLU 108 -3.750 1.541 -8.865 828 H SER 109 HN SER 109 0.522 0.948 -9.419 829 HA SER 109 HA SER 109 2.342 2.918 -10.116 830 HG SER 109 HG SER 109 1.429 0.500 -7.636 831 HB2 SER 109 HB2 SER 109 3.846 1.153 -8.784 832 HB3 SER 109 HB1 SER 109 2.671 2.184 -7.983 Start of MODEL 14 1 HA SER 1 HA SER 1 5.130 -5.348 8.577 2 HG SER 1 HG SER 1 7.406 -5.266 6.844 3 H1 SER 1 HT1 SER 1 6.367 -7.523 10.163 4 H2 SER 1 HT2 SER 1 4.708 -7.284 9.943 5 H3 SER 1 HT3 SER 1 5.622 -6.136 10.786 6 HB2 SER 1 HB2 SER 1 7.258 -4.689 9.614 7 HB3 SER 1 HB1 SER 1 8.036 -6.125 8.954 8 H MET 2 HN MET 2 4.980 -5.683 6.393 9 HA MET 2 HA MET 2 4.832 -8.373 5.489 10 HB2 MET 2 HB2 MET 2 3.410 -6.463 4.686 11 HB3 MET 2 HB1 MET 2 4.808 -5.874 3.800 12 HG2 MET 2 HG2 MET 2 3.542 -7.036 2.233 13 HG3 MET 2 HG1 MET 2 4.852 -8.138 2.658 14 HE1 MET 2 HE1 MET 2 4.768 -10.112 3.837 15 HE2 MET 2 HE2 MET 2 3.351 -11.135 4.064 16 HE3 MET 2 HE3 MET 2 3.800 -9.970 5.305 17 H THR 3 HN THR 3 6.921 -9.233 5.773 18 HA THR 3 HA THR 3 8.927 -8.254 3.840 19 HB THR 3 HB THR 3 10.657 -9.224 5.333 20 HG1 THR 3 HG1 THR 3 9.382 -10.716 6.473 21 HG21 THR 3 HG21 THR 3 8.876 -7.198 6.690 22 HG22 THR 3 HG22 THR 3 10.086 -6.832 5.462 23 HG23 THR 3 HG23 THR 3 10.585 -7.474 7.027 24 H ASP 4 HN ASP 4 7.581 -11.110 5.439 25 HA ASP 4 HA ASP 4 9.052 -13.077 4.112 26 HB2 ASP 4 HB2 ASP 4 7.588 -13.470 6.083 27 HB3 ASP 4 HB1 ASP 4 6.179 -13.259 5.044 28 H LEU 5 HN LEU 5 6.589 -11.001 2.941 29 HA LEU 5 HA LEU 5 6.210 -12.696 0.569 30 HG LEU 5 HG LEU 5 2.776 -12.230 1.952 31 HB2 LEU 5 HB2 LEU 5 4.483 -10.590 1.836 32 HB3 LEU 5 HB1 LEU 5 4.196 -11.171 0.212 33 HD11 LEU 5 HD11 LEU 5 4.597 -14.274 0.740 34 HD12 LEU 5 HD12 LEU 5 3.525 -13.283 -0.247 35 HD13 LEU 5 HD13 LEU 5 2.851 -14.350 0.985 36 HD21 LEU 5 HD21 LEU 5 5.101 -13.850 2.835 37 HD22 LEU 5 HD22 LEU 5 3.598 -13.464 3.671 38 HD23 LEU 5 HD23 LEU 5 4.866 -12.254 3.550 39 H LEU 6 HN LEU 6 6.443 -9.262 1.502 40 HA LEU 6 HA LEU 6 7.287 -8.583 -1.205 41 HG LEU 6 HG LEU 6 4.757 -7.780 0.719 42 HB2 LEU 6 HB2 LEU 6 6.910 -6.749 1.158 43 HB3 LEU 6 HB1 LEU 6 7.054 -6.284 -0.526 44 HD11 LEU 6 HD11 LEU 6 3.480 -5.782 0.188 45 HD12 LEU 6 HD12 LEU 6 4.941 -5.018 -0.426 46 HD13 LEU 6 HD13 LEU 6 4.814 -5.418 1.284 47 HD21 LEU 6 HD21 LEU 6 5.172 -8.559 -1.551 48 HD22 LEU 6 HD22 LEU 6 5.171 -6.893 -2.124 49 HD23 LEU 6 HD23 LEU 6 3.696 -7.600 -1.472 50 H SER 7 HN SER 7 9.262 -7.629 -1.706 51 HA SER 7 HA SER 7 11.533 -8.591 -0.486 52 HG SER 7 HG SER 7 10.424 -5.523 -1.622 53 HB2 SER 7 HB2 SER 7 12.705 -6.637 -1.657 54 HB3 SER 7 HB1 SER 7 11.761 -7.723 -2.677 55 H ALA 8 HN ALA 8 12.152 -8.302 1.548 56 HA ALA 8 HA ALA 8 11.331 -6.176 3.205 57 HB1 ALA 8 HB1 ALA 8 13.689 -8.002 3.633 58 HB2 ALA 8 HB2 ALA 8 12.017 -8.431 3.991 59 HB3 ALA 8 HB3 ALA 8 12.794 -7.109 4.862 60 H GLU 9 HN GLU 9 14.362 -6.791 1.481 61 HA GLU 9 HA GLU 9 15.820 -4.630 2.512 62 HB2 GLU 9 HB2 GLU 9 17.380 -5.038 0.765 63 HB3 GLU 9 HB1 GLU 9 16.699 -6.601 1.184 64 HG2 GLU 9 HG2 GLU 9 15.213 -6.480 -0.745 65 HG3 GLU 9 HG1 GLU 9 15.888 -4.907 -1.166 66 H ASP 10 HN ASP 10 13.742 -4.895 -0.328 67 HA ASP 10 HA ASP 10 14.202 -2.382 -1.468 68 HB2 ASP 10 HB2 ASP 10 11.688 -4.049 -1.439 69 HB3 ASP 10 HB1 ASP 10 12.020 -2.735 -2.560 70 H ILE 11 HN ILE 11 11.550 -3.410 0.647 71 HA ILE 11 HA ILE 11 10.224 -0.970 0.886 72 HB ILE 11 HB ILE 11 10.460 -3.156 2.933 73 HG12 ILE 11 HG12 ILE 11 8.084 -2.967 1.185 74 HG13 ILE 11 HG11 ILE 11 9.570 -3.535 0.427 75 HG21 ILE 11 HG21 ILE 11 8.285 -2.346 3.734 76 HG22 ILE 11 HG22 ILE 11 8.346 -1.045 2.541 77 HG23 ILE 11 HG23 ILE 11 9.527 -1.099 3.852 78 HD11 ILE 11 HD11 ILE 11 9.722 -5.242 2.254 79 HD12 ILE 11 HD12 ILE 11 8.354 -5.433 1.157 80 HD13 ILE 11 HD13 ILE 11 8.110 -4.740 2.760 81 H LYS 12 HN LYS 12 12.606 -2.393 3.134 82 HA LYS 12 HA LYS 12 12.677 -0.341 4.977 83 HB2 LYS 12 HB2 LYS 12 14.897 -2.155 4.027 84 HB3 LYS 12 HB1 LYS 12 15.049 -1.085 5.413 85 HG2 LYS 12 HG2 LYS 12 13.135 -2.238 6.464 86 HG3 LYS 12 HG1 LYS 12 13.106 -3.362 5.104 87 HD2 LYS 12 HD2 LYS 12 15.418 -2.934 6.998 88 HD3 LYS 12 HD1 LYS 12 14.310 -4.308 7.014 89 HE2 LYS 12 HE2 LYS 12 15.049 -4.918 4.756 90 HE3 LYS 12 HE1 LYS 12 16.165 -3.552 4.756 91 HZ1 LYS 12 HZ1 LYS 12 17.334 -4.544 6.617 92 HZ2 LYS 12 HZ2 LYS 12 17.280 -5.625 5.318 93 HZ3 LYS 12 HZ3 LYS 12 16.253 -5.847 6.642 94 H LYS 13 HN LYS 13 14.493 -0.657 1.953 95 HA LYS 13 HA LYS 13 15.961 1.773 2.292 96 HB2 LYS 13 HB2 LYS 13 15.410 0.251 -0.258 97 HB3 LYS 13 HB1 LYS 13 16.703 1.414 0.018 98 HG2 LYS 13 HG2 LYS 13 17.950 -0.046 1.255 99 HG3 LYS 13 HG1 LYS 13 16.545 -0.978 1.773 100 HD2 LYS 13 HD2 LYS 13 16.321 -1.757 -0.613 101 HD3 LYS 13 HD1 LYS 13 17.893 -1.010 -0.920 102 HE2 LYS 13 HE2 LYS 13 17.334 -3.150 1.126 103 HE3 LYS 13 HE1 LYS 13 18.084 -3.415 -0.449 104 HZ1 LYS 13 HZ1 LYS 13 19.897 -1.947 0.229 105 HZ2 LYS 13 HZ2 LYS 13 19.751 -3.269 1.273 106 HZ3 LYS 13 HZ3 LYS 13 19.183 -1.749 1.752 107 H ALA 14 HN ALA 14 13.223 0.842 0.225 108 HA ALA 14 HA ALA 14 12.871 3.358 -0.967 109 HB1 ALA 14 HB1 ALA 14 10.686 1.341 -0.513 110 HB2 ALA 14 HB2 ALA 14 11.941 1.148 -1.739 111 HB3 ALA 14 HB3 ALA 14 10.832 2.519 -1.820 112 H ILE 15 HN ILE 15 11.549 1.960 1.980 113 HA ILE 15 HA ILE 15 9.719 4.070 2.462 114 HB ILE 15 HB ILE 15 10.685 1.782 4.097 115 HG12 ILE 15 HG12 ILE 15 8.177 2.727 2.747 116 HG13 ILE 15 HG11 ILE 15 9.150 1.320 2.368 117 HG21 ILE 15 HG21 ILE 15 8.580 2.810 5.534 118 HG22 ILE 15 HG22 ILE 15 9.476 4.262 5.095 119 HG23 ILE 15 HG23 ILE 15 10.278 2.965 5.975 120 HD11 ILE 15 HD11 ILE 15 7.354 0.363 3.414 121 HD12 ILE 15 HD12 ILE 15 7.128 1.742 4.491 122 HD13 ILE 15 HD13 ILE 15 8.436 0.593 4.789 123 H GLY 16 HN GLY 16 13.031 3.398 3.463 124 HA2 GLY 16 HA2 GLY 16 13.047 5.783 5.161 125 HA3 GLY 16 HA1 GLY 16 14.310 4.569 5.087 126 H ALA 17 HN ALA 17 15.140 4.466 2.595 127 HA ALA 17 HA ALA 17 16.879 6.482 2.179 128 HB1 ALA 17 HB1 ALA 17 17.051 5.810 -0.122 129 HB2 ALA 17 HB2 ALA 17 15.442 5.081 -0.072 130 HB3 ALA 17 HB3 ALA 17 16.761 4.378 0.869 131 H PHE 18 HN PHE 18 13.617 6.396 0.762 132 HA PHE 18 HA PHE 18 13.721 9.302 0.527 133 HD1 PHE 18 HD1 PHE 18 10.723 7.365 -1.571 134 HD2 PHE 18 HD2 PHE 18 14.782 6.316 -2.264 135 HE1 PHE 18 HE1 PHE 18 9.994 5.196 -2.502 136 HE2 PHE 18 HE2 PHE 18 14.071 4.150 -3.186 137 HZ PHE 18 HZ PHE 18 11.678 3.595 -3.303 138 HB2 PHE 18 HB2 PHE 18 12.604 9.081 -1.702 139 HB3 PHE 18 HB1 PHE 18 14.254 8.476 -1.634 140 H THR 19 HN THR 19 12.084 10.177 1.573 141 HA THR 19 HA THR 19 9.728 8.577 2.173 142 HB THR 19 HB THR 19 10.511 11.340 3.130 143 HG1 THR 19 HG1 THR 19 11.786 9.516 3.905 144 HG21 THR 19 HG21 THR 19 8.076 11.011 3.119 145 HG22 THR 19 HG22 THR 19 8.714 11.092 4.761 146 HG23 THR 19 HG23 THR 19 8.277 9.533 4.060 147 H ALA 20 HN ALA 20 10.665 11.481 0.440 148 HA ALA 20 HA ALA 20 8.295 12.667 -0.177 149 HB1 ALA 20 HB1 ALA 20 10.584 12.264 -2.095 150 HB2 ALA 20 HB2 ALA 20 10.500 13.513 -0.852 151 HB3 ALA 20 HB3 ALA 20 9.346 13.517 -2.186 152 H ALA 21 HN ALA 21 9.695 9.813 -1.773 153 HA ALA 21 HA ALA 21 7.988 9.538 -3.908 154 HB1 ALA 21 HB1 ALA 21 9.942 8.070 -3.363 155 HB2 ALA 21 HB2 ALA 21 8.511 7.218 -3.941 156 HB3 ALA 21 HB3 ALA 21 8.899 7.223 -2.221 157 H ASP 22 HN ASP 22 7.527 7.778 -0.865 158 HA ASP 22 HA ASP 22 4.789 7.225 -1.404 159 HB2 ASP 22 HB2 ASP 22 4.719 6.428 0.946 160 HB3 ASP 22 HB1 ASP 22 6.073 5.750 0.046 161 H SER 23 HN SER 23 6.447 9.925 -0.102 162 HA SER 23 HA SER 23 4.582 11.032 1.614 163 HG SER 23 HG SER 23 6.157 14.161 1.235 164 HB2 SER 23 HB2 SER 23 6.936 11.870 1.086 165 HB3 SER 23 HB1 SER 23 6.234 12.642 -0.337 166 H PHE 24 HN PHE 24 5.011 11.972 -1.805 167 HA PHE 24 HA PHE 24 2.246 12.912 -1.838 168 HD1 PHE 24 HD1 PHE 24 3.823 12.407 -5.648 169 HD2 PHE 24 HD2 PHE 24 6.199 14.138 -2.571 170 HE1 PHE 24 HE1 PHE 24 5.860 11.808 -6.890 171 HE2 PHE 24 HE2 PHE 24 8.241 13.543 -3.807 172 HZ PHE 24 HZ PHE 24 8.072 12.375 -5.969 173 HB2 PHE 24 HB2 PHE 24 2.883 13.988 -3.986 174 HB3 PHE 24 HB1 PHE 24 3.865 14.510 -2.621 175 H ASP 25 HN ASP 25 4.346 10.599 -3.532 176 HA ASP 25 HA ASP 25 1.929 9.333 -4.598 177 HB2 ASP 25 HB2 ASP 25 2.640 10.766 -6.396 178 HB3 ASP 25 HB1 ASP 25 4.298 10.188 -6.261 179 H HIS 26 HN HIS 26 2.233 7.577 -3.200 180 HA HIS 26 HA HIS 26 4.688 6.166 -3.011 181 HD1 HIS 26 HD1 HIS 26 1.165 5.332 -4.269 182 HD2 HIS 26 HD2 HIS 26 1.441 3.133 -0.765 183 HE1 HIS 26 HE1 HIS 26 -0.738 3.700 -4.358 184 HE2 HIS 26 HE2 HIS 26 -0.608 2.440 -2.180 185 HB2 HIS 26 HB2 HIS 26 3.624 4.729 -1.556 186 HB3 HIS 26 HB1 HIS 26 2.609 6.152 -1.408 187 H LYS 27 HN LYS 27 2.500 6.349 -5.570 188 HA LYS 27 HA LYS 27 2.321 3.820 -6.571 189 HB2 LYS 27 HB2 LYS 27 2.734 6.406 -8.055 190 HB3 LYS 27 HB1 LYS 27 2.214 4.915 -8.801 191 HG2 LYS 27 HG2 LYS 27 0.730 6.749 -6.982 192 HG3 LYS 27 HG1 LYS 27 0.230 6.048 -8.522 193 HD2 LYS 27 HD2 LYS 27 0.591 4.532 -5.955 194 HD3 LYS 27 HD1 LYS 27 -0.964 5.064 -6.600 195 HE2 LYS 27 HE2 LYS 27 -0.562 3.705 -8.606 196 HE3 LYS 27 HE1 LYS 27 0.967 3.159 -7.921 197 HZ1 LYS 27 HZ1 LYS 27 -1.774 2.545 -7.002 198 HZ2 LYS 27 HZ2 LYS 27 -0.437 2.343 -5.986 199 HZ3 LYS 27 HZ3 LYS 27 -0.538 1.470 -7.429 200 H LYS 28 HN LYS 28 4.884 6.201 -7.255 201 HA LYS 28 HA LYS 28 6.542 4.477 -8.719 202 HB2 LYS 28 HB2 LYS 28 6.844 6.917 -8.685 203 HB3 LYS 28 HB1 LYS 28 7.275 6.850 -6.982 204 HG2 LYS 28 HG2 LYS 28 9.389 6.681 -7.599 205 HG3 LYS 28 HG1 LYS 28 9.020 5.082 -8.248 206 HD2 LYS 28 HD2 LYS 28 8.704 7.658 -9.785 207 HD3 LYS 28 HD1 LYS 28 10.123 6.612 -9.878 208 HE2 LYS 28 HE2 LYS 28 7.300 5.781 -10.544 209 HE3 LYS 28 HE1 LYS 28 8.531 6.231 -11.725 210 HZ1 LYS 28 HZ1 LYS 28 9.904 4.386 -10.808 211 HZ2 LYS 28 HZ2 LYS 28 8.489 3.877 -11.579 212 HZ3 LYS 28 HZ3 LYS 28 8.569 3.900 -9.890 213 H PHE 29 HN PHE 29 6.487 5.357 -5.302 214 HA PHE 29 HA PHE 29 8.538 3.880 -4.262 215 HD1 PHE 29 HD2 PHE 29 5.217 2.343 -2.271 216 HD2 PHE 29 HD1 PHE 29 8.640 4.548 -1.204 217 HE1 PHE 29 HE2 PHE 29 5.442 0.961 -0.244 218 HE2 PHE 29 HE1 PHE 29 8.916 3.183 0.845 219 HZ PHE 29 HZ PHE 29 7.298 1.381 1.323 220 HB2 PHE 29 HB2 PHE 29 7.328 5.325 -2.839 221 HB3 PHE 29 HB1 PHE 29 5.791 4.581 -3.244 222 H PHE 30 HN PHE 30 5.255 2.901 -4.918 223 HA PHE 30 HA PHE 30 5.164 0.315 -4.024 224 HD1 PHE 30 HD1 PHE 30 3.236 -1.641 -6.113 225 HD2 PHE 30 HD2 PHE 30 2.186 1.650 -3.640 226 HE1 PHE 30 HE1 PHE 30 1.513 -3.022 -5.014 227 HE2 PHE 30 HE2 PHE 30 0.461 0.284 -2.536 228 HZ PHE 30 HZ PHE 30 0.122 -2.057 -3.224 229 HB2 PHE 30 HB2 PHE 30 3.563 1.950 -5.590 230 HB3 PHE 30 HB1 PHE 30 3.935 0.601 -6.656 231 H GLN 31 HN GLN 31 6.827 1.587 -6.771 232 HA GLN 31 HA GLN 31 7.323 -0.979 -7.967 233 HB2 GLN 31 HB2 GLN 31 8.649 1.636 -8.609 234 HB3 GLN 31 HB1 GLN 31 8.523 0.226 -9.646 235 HG2 GLN 31 HG2 GLN 31 6.074 0.549 -9.701 236 HG3 GLN 31 HG1 GLN 31 6.280 2.023 -8.756 237 HE21 GLN 31 HE21 GLN 31 5.436 3.336 -10.361 238 HE22 GLN 31 HE22 GLN 31 6.285 3.676 -11.826 239 H MET 32 HN MET 32 9.280 1.478 -6.294 240 HA MET 32 HA MET 32 11.661 -0.109 -6.321 241 HB2 MET 32 HB2 MET 32 11.298 1.990 -4.257 242 HB3 MET 32 HB1 MET 32 12.695 1.633 -5.257 243 HG2 MET 32 HG2 MET 32 11.315 2.545 -7.197 244 HG3 MET 32 HG1 MET 32 10.235 3.178 -5.952 245 HE1 MET 32 HE1 MET 32 12.180 4.582 -8.324 246 HE2 MET 32 HE2 MET 32 12.648 6.081 -7.524 247 HE3 MET 32 HE3 MET 32 10.971 5.543 -7.474 248 H VAL 33 HN VAL 33 9.039 0.350 -4.054 249 HA VAL 33 HA VAL 33 10.220 -0.823 -1.784 250 HB VAL 33 HB VAL 33 8.154 0.531 -1.710 251 HG11 VAL 33 HG11 VAL 33 6.692 -1.888 -2.717 252 HG12 VAL 33 HG12 VAL 33 7.218 -0.600 -3.795 253 HG13 VAL 33 HG13 VAL 33 6.088 -0.247 -2.488 254 HG21 VAL 33 HG21 VAL 33 8.368 -0.616 0.251 255 HG22 VAL 33 HG22 VAL 33 8.287 -2.177 -0.554 256 HG23 VAL 33 HG23 VAL 33 6.818 -1.244 -0.313 257 H GLY 34 HN GLY 34 8.820 -2.178 -4.627 258 HA2 GLY 34 HA2 GLY 34 9.227 -4.373 -5.370 259 HA3 GLY 34 HA1 GLY 34 9.653 -4.820 -3.731 260 H LEU 35 HN LEU 35 6.654 -3.129 -4.373 261 HA LEU 35 HA LEU 35 5.151 -5.279 -3.226 262 HG LEU 35 HG LEU 35 4.753 -3.491 -1.780 263 HB2 LEU 35 HB2 LEU 35 4.509 -2.601 -4.362 264 HB3 LEU 35 HB1 LEU 35 3.218 -3.782 -4.265 265 HD11 LEU 35 HD11 LEU 35 4.709 -1.281 -1.594 266 HD12 LEU 35 HD12 LEU 35 2.951 -1.329 -1.729 267 HD13 LEU 35 HD13 LEU 35 3.940 -1.135 -3.172 268 HD21 LEU 35 HD21 LEU 35 2.794 -4.807 -1.735 269 HD22 LEU 35 HD22 LEU 35 1.857 -3.576 -2.581 270 HD23 LEU 35 HD23 LEU 35 2.377 -3.300 -0.918 271 H LYS 36 HN LYS 36 5.928 -4.189 -6.455 272 HA LYS 36 HA LYS 36 4.097 -6.067 -7.686 273 HB2 LYS 36 HB2 LYS 36 6.219 -4.352 -8.958 274 HB3 LYS 36 HB1 LYS 36 4.881 -5.143 -9.778 275 HG2 LYS 36 HG2 LYS 36 3.589 -3.371 -9.447 276 HG3 LYS 36 HG1 LYS 36 3.879 -3.432 -7.706 277 HD2 LYS 36 HD2 LYS 36 4.552 -1.271 -8.872 278 HD3 LYS 36 HD1 LYS 36 5.788 -2.050 -7.879 279 HE2 LYS 36 HE2 LYS 36 5.771 -2.940 -10.664 280 HE3 LYS 36 HE1 LYS 36 6.128 -1.222 -10.471 281 HZ1 LYS 36 HZ1 LYS 36 8.121 -1.674 -9.586 282 HZ2 LYS 36 HZ2 LYS 36 7.936 -3.200 -10.289 283 HZ3 LYS 36 HZ3 LYS 36 7.549 -2.968 -8.659 284 H LYS 37 HN LYS 37 6.770 -6.623 -6.035 285 HA LYS 37 HA LYS 37 8.725 -7.761 -7.549 286 HB2 LYS 37 HB2 LYS 37 8.976 -7.599 -5.179 287 HB3 LYS 37 HB1 LYS 37 7.568 -8.615 -4.899 288 HG2 LYS 37 HG2 LYS 37 8.826 -10.504 -5.948 289 HG3 LYS 37 HG1 LYS 37 10.246 -9.456 -5.986 290 HD2 LYS 37 HD2 LYS 37 10.019 -9.174 -3.519 291 HD3 LYS 37 HD1 LYS 37 8.724 -10.373 -3.548 292 HE2 LYS 37 HE2 LYS 37 10.770 -11.460 -2.918 293 HE3 LYS 37 HE1 LYS 37 10.315 -11.996 -4.535 294 HZ1 LYS 37 HZ1 LYS 37 12.671 -11.511 -4.411 295 HZ2 LYS 37 HZ2 LYS 37 12.354 -9.931 -3.901 296 HZ3 LYS 37 HZ3 LYS 37 11.909 -10.421 -5.457 297 H LYS 38 HN LYS 38 6.619 -10.040 -5.869 298 HA LYS 38 HA LYS 38 6.831 -11.885 -8.072 299 HB2 LYS 38 HB2 LYS 38 5.408 -12.074 -5.415 300 HB3 LYS 38 HB1 LYS 38 5.486 -13.383 -6.584 301 HG2 LYS 38 HG2 LYS 38 7.875 -13.512 -6.338 302 HG3 LYS 38 HG1 LYS 38 7.877 -12.092 -5.287 303 HD2 LYS 38 HD2 LYS 38 6.020 -13.883 -4.184 304 HD3 LYS 38 HD1 LYS 38 7.434 -14.849 -4.616 305 HE2 LYS 38 HE2 LYS 38 8.872 -13.405 -3.330 306 HE3 LYS 38 HE1 LYS 38 7.536 -12.302 -3.006 307 HZ1 LYS 38 HZ1 LYS 38 6.444 -14.029 -1.738 308 HZ2 LYS 38 HZ2 LYS 38 7.997 -13.758 -1.124 309 HZ3 LYS 38 HZ3 LYS 38 7.691 -15.119 -2.080 310 H SER 39 HN SER 39 3.857 -11.374 -6.238 311 HA SER 39 HA SER 39 2.492 -10.372 -8.606 312 HG SER 39 HG SER 39 3.313 -13.172 -8.730 313 HB2 SER 39 HB2 SER 39 1.634 -12.896 -7.169 314 HB3 SER 39 HB1 SER 39 0.711 -12.079 -8.428 315 H ALA 40 HN ALA 40 0.018 -10.089 -7.948 316 HA ALA 40 HA ALA 40 -0.020 -8.212 -5.844 317 HB1 ALA 40 HB1 ALA 40 -2.612 -8.610 -6.155 318 HB2 ALA 40 HB2 ALA 40 -2.070 -9.484 -7.591 319 HB3 ALA 40 HB3 ALA 40 -1.661 -7.781 -7.386 320 H ASP 41 HN ASP 41 -0.872 -11.623 -6.028 321 HA ASP 41 HA ASP 41 -2.282 -11.976 -3.684 322 HB2 ASP 41 HB2 ASP 41 -0.191 -13.828 -4.854 323 HB3 ASP 41 HB1 ASP 41 -1.416 -14.287 -3.674 324 H ASP 42 HN ASP 42 1.175 -11.594 -4.160 325 HA ASP 42 HA ASP 42 1.970 -12.241 -1.526 326 HB2 ASP 42 HB2 ASP 42 3.292 -10.546 -3.654 327 HB3 ASP 42 HB1 ASP 42 4.062 -10.979 -2.130 328 H VAL 43 HN VAL 43 1.406 -9.097 -3.118 329 HA VAL 43 HA VAL 43 1.868 -7.551 -0.819 330 HB VAL 43 HB VAL 43 0.898 -5.702 -1.974 331 HG11 VAL 43 HG11 VAL 43 2.275 -7.539 -3.910 332 HG12 VAL 43 HG12 VAL 43 3.042 -6.375 -2.828 333 HG13 VAL 43 HG13 VAL 43 2.033 -5.811 -4.161 334 HG21 VAL 43 HG21 VAL 43 -1.115 -7.192 -2.795 335 HG22 VAL 43 HG22 VAL 43 -0.127 -7.303 -4.238 336 HG23 VAL 43 HG23 VAL 43 -0.641 -5.734 -3.649 337 H LYS 44 HN LYS 44 -0.979 -9.175 -2.037 338 HA LYS 44 HA LYS 44 -2.933 -8.000 -0.434 339 HB2 LYS 44 HB2 LYS 44 -3.583 -9.348 -2.281 340 HB3 LYS 44 HB1 LYS 44 -2.715 -10.742 -1.656 341 HG2 LYS 44 HG2 LYS 44 -4.299 -10.997 0.130 342 HG3 LYS 44 HG1 LYS 44 -5.092 -9.489 -0.307 343 HD2 LYS 44 HD2 LYS 44 -4.991 -11.997 -1.951 344 HD3 LYS 44 HD1 LYS 44 -6.394 -11.357 -1.106 345 HE2 LYS 44 HE2 LYS 44 -6.876 -10.447 -3.108 346 HE3 LYS 44 HE1 LYS 44 -5.705 -9.224 -2.618 347 HZ1 LYS 44 HZ1 LYS 44 -5.249 -10.020 -4.845 348 HZ2 LYS 44 HZ2 LYS 44 -5.126 -11.613 -4.288 349 HZ3 LYS 44 HZ3 LYS 44 -3.989 -10.461 -3.806 350 H LYS 45 HN LYS 45 -0.523 -10.385 0.322 351 HA LYS 45 HA LYS 45 -1.695 -11.604 2.549 352 HB2 LYS 45 HB2 LYS 45 0.938 -11.475 1.361 353 HB3 LYS 45 HB1 LYS 45 1.049 -11.395 3.113 354 HG2 LYS 45 HG2 LYS 45 1.216 -13.686 2.295 355 HG3 LYS 45 HG1 LYS 45 -0.212 -13.462 3.308 356 HD2 LYS 45 HD2 LYS 45 -1.627 -13.331 1.355 357 HD3 LYS 45 HD1 LYS 45 -0.220 -13.398 0.292 358 HE2 LYS 45 HE2 LYS 45 -1.387 -15.565 0.462 359 HE3 LYS 45 HE1 LYS 45 0.280 -15.641 1.028 360 HZ1 LYS 45 HZ1 LYS 45 -1.202 -16.819 2.518 361 HZ2 LYS 45 HZ2 LYS 45 -2.128 -15.424 2.753 362 HZ3 LYS 45 HZ3 LYS 45 -0.529 -15.481 3.304 363 H VAL 46 HN VAL 46 0.131 -8.600 2.207 364 HA VAL 46 HA VAL 46 0.397 -7.994 4.915 365 HB VAL 46 HB VAL 46 1.431 -6.746 2.945 366 HG11 VAL 46 HG11 VAL 46 0.264 -5.266 1.698 367 HG12 VAL 46 HG12 VAL 46 -0.793 -4.832 3.037 368 HG13 VAL 46 HG13 VAL 46 -1.095 -6.308 2.134 369 HG21 VAL 46 HG21 VAL 46 1.637 -4.705 4.201 370 HG22 VAL 46 HG22 VAL 46 1.607 -6.075 5.311 371 HG23 VAL 46 HG23 VAL 46 0.170 -5.074 5.110 372 H PHE 47 HN PHE 47 -2.337 -7.918 2.785 373 HA PHE 47 HA PHE 47 -4.046 -6.162 3.981 374 HD1 PHE 47 HD1 PHE 47 -5.951 -5.369 3.400 375 HD2 PHE 47 HD2 PHE 47 -7.022 -9.463 2.966 376 HE1 PHE 47 HE1 PHE 47 -8.311 -4.787 3.784 377 HE2 PHE 47 HE2 PHE 47 -9.384 -8.890 3.349 378 HZ PHE 47 HZ PHE 47 -10.031 -6.550 3.759 379 HB2 PHE 47 HB2 PHE 47 -4.604 -7.444 1.952 380 HB3 PHE 47 HB1 PHE 47 -4.804 -8.880 2.948 381 H HIS 48 HN HIS 48 -3.171 -9.391 5.003 382 HA HIS 48 HA HIS 48 -5.057 -9.498 7.158 383 HD1 HIS 48 HD1 HIS 48 -2.203 -13.244 7.953 384 HD2 HIS 48 HD2 HIS 48 -5.184 -10.738 9.401 385 HE1 HIS 48 HE1 HIS 48 -2.673 -14.042 10.290 386 HE2 HIS 48 HE2 HIS 48 -4.517 -12.543 11.130 387 HB2 HIS 48 HB2 HIS 48 -4.296 -11.586 6.216 388 HB3 HIS 48 HB1 HIS 48 -2.612 -11.159 6.499 389 H ILE 49 HN ILE 49 -1.779 -8.468 6.668 390 HA ILE 49 HA ILE 49 -1.033 -8.210 9.399 391 HB ILE 49 HB ILE 49 0.069 -6.652 7.058 392 HG12 ILE 49 HG12 ILE 49 0.082 -9.043 6.526 393 HG13 ILE 49 HG11 ILE 49 1.719 -8.464 6.818 394 HG21 ILE 49 HG21 ILE 49 1.309 -7.476 9.683 395 HG22 ILE 49 HG22 ILE 49 0.759 -5.854 9.261 396 HG23 ILE 49 HG23 ILE 49 2.114 -6.579 8.396 397 HD11 ILE 49 HD11 ILE 49 1.678 -9.425 9.044 398 HD12 ILE 49 HD12 ILE 49 1.326 -10.647 7.822 399 HD13 ILE 49 HD13 ILE 49 0.019 -9.968 8.791 400 H LEU 50 HN LEU 50 -2.026 -5.831 6.934 401 HA LEU 50 HA LEU 50 -2.291 -3.743 8.885 402 HG LEU 50 HG LEU 50 -3.352 -4.945 5.587 403 HB2 LEU 50 HB2 LEU 50 -2.875 -2.374 6.997 404 HB3 LEU 50 HB1 LEU 50 -1.483 -3.355 6.604 405 HD11 LEU 50 HD11 LEU 50 -4.546 -2.185 5.329 406 HD12 LEU 50 HD12 LEU 50 -5.223 -3.513 6.270 407 HD13 LEU 50 HD13 LEU 50 -5.112 -3.643 4.515 408 HD21 LEU 50 HD21 LEU 50 -2.727 -4.154 3.476 409 HD22 LEU 50 HD22 LEU 50 -1.366 -3.740 4.521 410 HD23 LEU 50 HD23 LEU 50 -2.530 -2.500 4.055 411 H ASP 51 HN ASP 51 -4.427 -5.851 7.021 412 HA ASP 51 HA ASP 51 -6.725 -4.717 8.472 413 HB2 ASP 51 HB2 ASP 51 -6.374 -5.135 5.738 414 HB3 ASP 51 HB1 ASP 51 -7.443 -6.426 6.275 415 H LYS 52 HN LYS 52 -6.416 -6.005 10.323 416 HA LYS 52 HA LYS 52 -6.238 -8.841 10.193 417 HB2 LYS 52 HB2 LYS 52 -6.385 -8.822 12.559 418 HB3 LYS 52 HB1 LYS 52 -5.485 -7.379 12.117 419 HG2 LYS 52 HG2 LYS 52 -8.437 -7.326 12.664 420 HG3 LYS 52 HG1 LYS 52 -7.227 -7.134 13.935 421 HD2 LYS 52 HD2 LYS 52 -6.261 -5.255 12.520 422 HD3 LYS 52 HD1 LYS 52 -7.742 -5.355 11.564 423 HE2 LYS 52 HE2 LYS 52 -9.069 -4.925 13.569 424 HE3 LYS 52 HE1 LYS 52 -7.594 -4.833 14.530 425 HZ1 LYS 52 HZ1 LYS 52 -6.900 -2.926 13.217 426 HZ2 LYS 52 HZ2 LYS 52 -8.400 -2.637 13.945 427 HZ3 LYS 52 HZ3 LYS 52 -8.319 -3.013 12.298 428 H ASP 53 HN ASP 53 -8.856 -6.537 10.498 429 HA ASP 53 HA ASP 53 -10.896 -8.459 11.041 430 HB2 ASP 53 HB2 ASP 53 -11.094 -6.055 11.627 431 HB3 ASP 53 HB1 ASP 53 -11.163 -5.670 9.911 432 H LYS 54 HN LYS 54 -9.259 -7.433 8.185 433 HA LYS 54 HA LYS 54 -9.684 -7.758 5.944 434 HB2 LYS 54 HB2 LYS 54 -10.679 -10.408 6.950 435 HB3 LYS 54 HB1 LYS 54 -10.016 -10.029 5.364 436 HG2 LYS 54 HG2 LYS 54 -7.869 -9.966 6.103 437 HG3 LYS 54 HG1 LYS 54 -8.330 -9.484 7.738 438 HD2 LYS 54 HD2 LYS 54 -9.263 -11.773 8.063 439 HD3 LYS 54 HD1 LYS 54 -8.592 -12.220 6.495 440 HE2 LYS 54 HE2 LYS 54 -6.351 -11.720 7.285 441 HE3 LYS 54 HE1 LYS 54 -6.997 -11.188 8.838 442 HZ1 LYS 54 HZ1 LYS 54 -6.137 -13.437 8.966 443 HZ2 LYS 54 HZ2 LYS 54 -7.189 -13.941 7.738 444 HZ3 LYS 54 HZ3 LYS 54 -7.808 -13.430 9.228 445 H SER 55 HN SER 55 -11.689 -6.319 7.119 446 HA SER 55 HA SER 55 -14.277 -7.213 6.923 447 HG SER 55 HG SER 55 -15.292 -4.075 5.941 448 HB2 SER 55 HB2 SER 55 -13.659 -5.043 7.887 449 HB3 SER 55 HB1 SER 55 -13.255 -4.437 6.281 450 H GLY 56 HN GLY 56 -12.062 -6.636 4.356 451 HA2 GLY 56 HA2 GLY 56 -12.517 -7.538 2.176 452 HA3 GLY 56 HA1 GLY 56 -14.212 -7.135 2.409 453 H PHE 57 HN PHE 57 -13.011 -4.493 3.605 454 HA PHE 57 HA PHE 57 -11.901 -3.161 1.331 455 HD1 PHE 57 HD1 PHE 57 -13.200 -2.588 -1.166 456 HD2 PHE 57 HD2 PHE 57 -15.934 -4.311 1.601 457 HE1 PHE 57 HE1 PHE 57 -14.128 -3.991 -2.963 458 HE2 PHE 57 HE2 PHE 57 -16.867 -5.717 -0.189 459 HZ PHE 57 HZ PHE 57 -15.964 -5.558 -2.474 460 HB2 PHE 57 HB2 PHE 57 -14.700 -2.381 2.190 461 HB3 PHE 57 HB1 PHE 57 -13.706 -1.522 1.008 462 H ILE 58 HN ILE 58 -10.621 -1.617 2.052 463 HA ILE 58 HA ILE 58 -10.988 -0.654 4.811 464 HB ILE 58 HB ILE 58 -8.487 -0.078 3.276 465 HG12 ILE 58 HG12 ILE 58 -8.993 -2.735 4.637 466 HG13 ILE 58 HG11 ILE 58 -8.976 -2.510 2.893 467 HG21 ILE 58 HG21 ILE 58 -7.512 -0.420 5.546 468 HG22 ILE 58 HG22 ILE 58 -9.143 -0.712 6.149 469 HG23 ILE 58 HG23 ILE 58 -8.722 0.861 5.472 470 HD11 ILE 58 HD11 ILE 58 -6.874 -3.421 3.719 471 HD12 ILE 58 HD12 ILE 58 -6.659 -2.001 4.742 472 HD13 ILE 58 HD13 ILE 58 -6.650 -1.833 2.985 473 H GLU 59 HN GLU 59 -10.976 1.531 5.240 474 HA GLU 59 HA GLU 59 -11.903 3.085 2.953 475 HB2 GLU 59 HB2 GLU 59 -12.423 3.019 5.842 476 HB3 GLU 59 HB1 GLU 59 -12.484 4.613 5.085 477 HG2 GLU 59 HG2 GLU 59 -14.114 3.705 3.449 478 HG3 GLU 59 HG1 GLU 59 -14.109 2.186 4.343 479 H GLU 60 HN GLU 60 -10.755 4.508 2.086 480 HA GLU 60 HA GLU 60 -8.200 5.215 2.389 481 HB2 GLU 60 HB2 GLU 60 -8.794 7.353 1.267 482 HB3 GLU 60 HB1 GLU 60 -9.548 5.944 0.528 483 HG2 GLU 60 HG2 GLU 60 -11.454 7.093 0.694 484 HG3 GLU 60 HG1 GLU 60 -11.374 6.634 2.397 485 H ASP 61 HN ASP 61 -10.868 6.477 4.280 486 HA ASP 61 HA ASP 61 -9.535 8.692 5.389 487 HB2 ASP 61 HB2 ASP 61 -11.965 8.462 5.520 488 HB3 ASP 61 HB1 ASP 61 -11.796 7.027 6.527 489 H GLU 62 HN GLU 62 -10.052 5.404 6.658 490 HA GLU 62 HA GLU 62 -8.165 5.885 8.818 491 HB2 GLU 62 HB2 GLU 62 -9.653 3.355 8.089 492 HB3 GLU 62 HB1 GLU 62 -8.763 3.644 9.577 493 HG2 GLU 62 HG2 GLU 62 -10.333 5.393 10.196 494 HG3 GLU 62 HG1 GLU 62 -11.213 5.150 8.687 495 H LEU 63 HN LEU 63 -8.258 4.480 5.678 496 HA LEU 63 HA LEU 63 -6.289 2.603 5.668 497 HG LEU 63 HG LEU 63 -5.103 2.946 2.678 498 HB2 LEU 63 HB2 LEU 63 -7.806 3.591 3.787 499 HB3 LEU 63 HB1 LEU 63 -6.443 4.653 3.498 500 HD11 LEU 63 HD11 LEU 63 -5.282 1.394 4.532 501 HD12 LEU 63 HD12 LEU 63 -5.545 0.547 3.008 502 HD13 LEU 63 HD13 LEU 63 -6.917 0.957 4.035 503 HD21 LEU 63 HD21 LEU 63 -7.018 3.395 1.210 504 HD22 LEU 63 HD22 LEU 63 -7.904 2.085 1.983 505 HD23 LEU 63 HD23 LEU 63 -6.444 1.734 1.056 506 H GLY 64 HN GLY 64 -5.876 6.077 5.256 507 HA2 GLY 64 HA2 GLY 64 -3.114 6.145 4.932 508 HA3 GLY 64 HA1 GLY 64 -4.068 7.454 5.616 509 H SER 65 HN SER 65 -5.001 5.673 7.810 510 HA SER 65 HA SER 65 -2.838 6.208 9.630 511 HG SER 65 HG SER 65 -6.310 6.681 10.553 512 HB2 SER 65 HB2 SER 65 -5.451 4.754 10.108 513 HB3 SER 65 HB1 SER 65 -4.365 5.375 11.352 514 H ILE 66 HN ILE 66 -4.646 3.279 8.764 515 HA ILE 66 HA ILE 66 -2.951 1.443 10.012 516 HB ILE 66 HB ILE 66 -5.197 0.870 9.235 517 HG12 ILE 66 HG12 ILE 66 -4.652 -1.344 8.247 518 HG13 ILE 66 HG11 ILE 66 -2.999 -0.779 8.056 519 HG21 ILE 66 HG21 ILE 66 -4.058 0.833 6.455 520 HG22 ILE 66 HG22 ILE 66 -5.050 2.140 7.099 521 HG23 ILE 66 HG23 ILE 66 -5.727 0.520 6.932 522 HD11 ILE 66 HD11 ILE 66 -3.259 -2.185 10.030 523 HD12 ILE 66 HD12 ILE 66 -4.443 -1.047 10.674 524 HD13 ILE 66 HD13 ILE 66 -2.767 -0.545 10.454 525 H LEU 67 HN LEU 67 -2.485 3.266 7.139 526 HA LEU 67 HA LEU 67 -0.933 1.682 5.509 527 HG LEU 67 HG LEU 67 -1.257 4.759 3.654 528 HB2 LEU 67 HB2 LEU 67 -1.325 4.512 5.999 529 HB3 LEU 67 HB1 LEU 67 0.325 4.170 5.518 530 HD11 LEU 67 HD11 LEU 67 0.513 2.435 3.804 531 HD12 LEU 67 HD12 LEU 67 0.558 3.831 2.726 532 HD13 LEU 67 HD13 LEU 67 -0.558 2.502 2.406 533 HD21 LEU 67 HD21 LEU 67 -2.420 2.398 2.992 534 HD22 LEU 67 HD22 LEU 67 -3.236 3.759 3.748 535 HD23 LEU 67 HD23 LEU 67 -2.650 2.432 4.740 536 H LYS 68 HN LYS 68 -0.179 2.978 8.619 537 HA LYS 68 HA LYS 68 2.550 3.063 8.654 538 HB2 LYS 68 HB2 LYS 68 0.728 2.032 10.825 539 HB3 LYS 68 HB1 LYS 68 2.387 2.578 11.046 540 HG2 LYS 68 HG2 LYS 68 1.846 4.797 10.699 541 HG3 LYS 68 HG1 LYS 68 0.365 4.402 9.816 542 HD2 LYS 68 HD2 LYS 68 -0.642 3.601 11.914 543 HD3 LYS 68 HD1 LYS 68 0.832 4.042 12.780 544 HE2 LYS 68 HE2 LYS 68 0.510 6.378 12.122 545 HE3 LYS 68 HE1 LYS 68 -0.964 5.935 11.265 546 HZ1 LYS 68 HZ1 LYS 68 -0.510 5.645 14.187 547 HZ2 LYS 68 HZ2 LYS 68 -1.927 5.221 13.365 548 HZ3 LYS 68 HZ3 LYS 68 -1.453 6.841 13.449 549 H GLY 69 HN GLY 69 0.551 0.241 8.296 550 HA2 GLY 69 HA2 GLY 69 1.990 -1.841 9.266 551 HA3 GLY 69 HA1 GLY 69 1.227 -1.893 7.682 552 H PHE 70 HN PHE 70 2.640 -0.335 6.100 553 HA PHE 70 HA PHE 70 5.304 -1.540 6.142 554 HD1 PHE 70 HD2 PHE 70 2.116 -2.167 4.564 555 HD2 PHE 70 HD1 PHE 70 3.914 1.230 2.733 556 HE1 PHE 70 HE2 PHE 70 -0.070 -1.509 3.646 557 HE2 PHE 70 HE1 PHE 70 1.729 1.896 1.806 558 HZ PHE 70 HZ PHE 70 -0.263 0.520 2.263 559 HB2 PHE 70 HB2 PHE 70 5.246 -0.336 3.741 560 HB3 PHE 70 HB1 PHE 70 4.654 -1.967 4.008 561 H SER 71 HN SER 71 3.628 1.497 5.851 562 HA SER 71 HA SER 71 5.864 3.195 5.634 563 HG SER 71 HG SER 71 2.521 4.512 7.150 564 HB2 SER 71 HB2 SER 71 4.232 5.009 6.058 565 HB3 SER 71 HB1 SER 71 3.698 3.887 4.807 566 H SER 72 HN SER 72 5.025 1.404 8.291 567 HA SER 72 HA SER 72 4.977 3.077 10.460 568 HG SER 72 HG SER 72 5.988 -0.134 9.223 569 HB2 SER 72 HB2 SER 72 6.325 1.261 11.659 570 HB3 SER 72 HB1 SER 72 4.821 0.749 10.899 571 H ASP 73 HN ASP 73 7.619 2.453 8.307 572 HA ASP 73 HA ASP 73 9.328 4.235 9.904 573 HB2 ASP 73 HB2 ASP 73 11.191 3.113 8.461 574 HB3 ASP 73 HB1 ASP 73 10.540 2.277 9.865 575 H ALA 74 HN ALA 74 7.266 4.864 7.867 576 HA ALA 74 HA ALA 74 8.946 6.288 5.926 577 HB1 ALA 74 HB1 ALA 74 7.622 4.574 4.820 578 HB2 ALA 74 HB2 ALA 74 7.047 6.164 4.371 579 HB3 ALA 74 HB3 ALA 74 6.153 5.206 5.541 580 H ARG 75 HN ARG 75 5.475 6.701 6.434 581 HA ARG 75 HA ARG 75 5.664 8.960 8.132 582 HE ARG 75 HE ARG 75 8.408 12.500 6.864 583 HB2 ARG 75 HB2 ARG 75 5.497 9.416 5.181 584 HB3 ARG 75 HB1 ARG 75 4.643 10.501 6.269 585 HG2 ARG 75 HG2 ARG 75 6.926 10.703 7.470 586 HG3 ARG 75 HG1 ARG 75 7.579 10.060 5.963 587 HD2 ARG 75 HD2 ARG 75 6.650 11.875 4.707 588 HD3 ARG 75 HD1 ARG 75 5.777 12.468 6.124 589 HH11 ARG 75 HH11 ARG 75 6.558 13.882 4.260 590 HH12 ARG 75 HH12 ARG 75 7.568 15.282 4.110 591 HH21 ARG 75 HH21 ARG 75 9.748 14.342 6.675 592 HH22 ARG 75 HH22 ARG 75 9.384 15.540 5.479 593 H ASP 76 HN ASP 76 3.427 8.801 5.408 594 HA ASP 76 HA ASP 76 1.405 7.259 6.544 595 HB2 ASP 76 HB2 ASP 76 -0.114 8.957 7.446 596 HB3 ASP 76 HB1 ASP 76 1.394 8.941 8.342 597 H LEU 77 HN LEU 77 -0.879 8.247 5.744 598 HA LEU 77 HA LEU 77 -0.549 9.169 2.954 599 HG LEU 77 HG LEU 77 -0.872 7.843 1.334 600 HB2 LEU 77 HB2 LEU 77 -1.304 6.643 3.751 601 HB3 LEU 77 HB1 LEU 77 -2.844 7.436 3.472 602 HD11 LEU 77 HD11 LEU 77 -2.044 5.107 1.805 603 HD12 LEU 77 HD12 LEU 77 -0.345 5.537 1.959 604 HD13 LEU 77 HD13 LEU 77 -1.131 5.623 0.388 605 HD21 LEU 77 HD21 LEU 77 -3.238 8.545 1.267 606 HD22 LEU 77 HD22 LEU 77 -3.699 6.850 1.350 607 HD23 LEU 77 HD23 LEU 77 -2.806 7.445 -0.043 608 H SER 78 HN SER 78 -1.021 11.291 3.811 609 HA SER 78 HA SER 78 -3.434 11.827 5.234 610 HG SER 78 HG SER 78 -0.629 12.556 5.497 611 HB2 SER 78 HB2 SER 78 -1.601 13.711 3.732 612 HB3 SER 78 HB1 SER 78 -2.860 14.195 4.869 613 H ALA 79 HN ALA 79 -4.626 13.942 4.111 614 HA ALA 79 HA ALA 79 -6.513 12.962 2.392 615 HB1 ALA 79 HB1 ALA 79 -7.130 15.231 1.929 616 HB2 ALA 79 HB2 ALA 79 -5.515 15.801 2.361 617 HB3 ALA 79 HB3 ALA 79 -6.582 15.144 3.605 618 H LYS 80 HN LYS 80 -3.593 14.758 1.526 619 HA LYS 80 HA LYS 80 -3.842 14.925 -1.199 620 HB2 LYS 80 HB2 LYS 80 -1.973 15.772 0.347 621 HB3 LYS 80 HB1 LYS 80 -1.235 14.191 0.130 622 HG2 LYS 80 HG2 LYS 80 -1.866 16.158 -2.065 623 HG3 LYS 80 HG1 LYS 80 -0.274 15.861 -1.367 624 HD2 LYS 80 HD2 LYS 80 -0.519 13.465 -2.094 625 HD3 LYS 80 HD1 LYS 80 -1.968 13.956 -2.974 626 HE2 LYS 80 HE2 LYS 80 -0.611 15.594 -4.228 627 HE3 LYS 80 HE1 LYS 80 0.829 15.003 -3.398 628 HZ1 LYS 80 HZ1 LYS 80 0.641 13.974 -5.547 629 HZ2 LYS 80 HZ2 LYS 80 -0.925 13.435 -5.211 630 HZ3 LYS 80 HZ3 LYS 80 0.388 12.800 -4.353 631 H GLU 81 HN GLU 81 -2.287 12.259 0.584 632 HA GLU 81 HA GLU 81 -2.044 10.630 -1.762 633 HB2 GLU 81 HB2 GLU 81 -1.802 9.841 1.146 634 HB3 GLU 81 HB1 GLU 81 -1.223 8.913 -0.206 635 HG2 GLU 81 HG2 GLU 81 0.418 10.590 -0.750 636 HG3 GLU 81 HG1 GLU 81 -0.206 11.645 0.519 637 H THR 82 HN THR 82 -4.400 11.020 0.785 638 HA THR 82 HA THR 82 -5.778 8.598 0.516 639 HB THR 82 HB THR 82 -6.889 11.359 1.096 640 HG1 THR 82 HG1 THR 82 -6.163 9.283 2.909 641 HG21 THR 82 HG21 THR 82 -8.403 9.230 0.460 642 HG22 THR 82 HG22 THR 82 -8.897 10.455 1.628 643 HG23 THR 82 HG23 THR 82 -8.188 8.941 2.186 644 H LYS 83 HN LYS 83 -6.231 11.715 -1.065 645 HA LYS 83 HA LYS 83 -8.120 10.734 -2.968 646 HB2 LYS 83 HB2 LYS 83 -6.539 13.309 -3.013 647 HB3 LYS 83 HB1 LYS 83 -7.985 12.954 -3.948 648 HG2 LYS 83 HG2 LYS 83 -7.800 13.234 -0.956 649 HG3 LYS 83 HG1 LYS 83 -8.544 14.368 -2.084 650 HD2 LYS 83 HD2 LYS 83 -9.450 11.543 -1.534 651 HD3 LYS 83 HD1 LYS 83 -10.241 13.019 -0.979 652 HE2 LYS 83 HE2 LYS 83 -10.660 13.669 -3.297 653 HE3 LYS 83 HE1 LYS 83 -9.854 12.206 -3.858 654 HZ1 LYS 83 HZ1 LYS 83 -11.555 10.893 -2.738 655 HZ2 LYS 83 HZ2 LYS 83 -12.248 11.941 -3.871 656 HZ3 LYS 83 HZ3 LYS 83 -12.332 12.307 -2.221 657 H THR 84 HN THR 84 -4.629 11.103 -2.860 658 HA THR 84 HA THR 84 -4.383 10.825 -5.723 659 HB THR 84 HB THR 84 -2.224 11.028 -3.644 660 HG1 THR 84 HG1 THR 84 -3.736 12.886 -4.084 661 HG21 THR 84 HG21 THR 84 -0.740 11.524 -5.513 662 HG22 THR 84 HG22 THR 84 -2.073 11.310 -6.648 663 HG23 THR 84 HG23 THR 84 -1.475 9.934 -5.722 664 H LEU 85 HN LEU 85 -3.066 9.023 -2.942 665 HA LEU 85 HA LEU 85 -2.375 6.860 -4.727 666 HG LEU 85 HG LEU 85 0.518 6.858 -2.664 667 HB2 LEU 85 HB2 LEU 85 -1.924 7.253 -1.797 668 HB3 LEU 85 HB1 LEU 85 -1.504 5.768 -2.625 669 HD11 LEU 85 HD11 LEU 85 -0.694 8.087 -5.131 670 HD12 LEU 85 HD12 LEU 85 -0.258 6.385 -5.004 671 HD13 LEU 85 HD13 LEU 85 0.987 7.627 -4.867 672 HD21 LEU 85 HD21 LEU 85 0.077 8.865 -1.587 673 HD22 LEU 85 HD22 LEU 85 -1.083 9.376 -2.811 674 HD23 LEU 85 HD23 LEU 85 0.638 9.370 -3.177 675 H MET 86 HN MET 86 -4.548 7.084 -1.852 676 HA MET 86 HA MET 86 -5.425 4.422 -2.084 677 HB2 MET 86 HB2 MET 86 -7.223 6.672 -1.180 678 HB3 MET 86 HB1 MET 86 -7.308 4.978 -0.738 679 HG2 MET 86 HG2 MET 86 -5.088 6.860 0.007 680 HG3 MET 86 HG1 MET 86 -6.386 6.317 1.068 681 HE1 MET 86 HE1 MET 86 -2.529 4.313 -0.041 682 HE2 MET 86 HE2 MET 86 -3.285 5.718 -0.792 683 HE3 MET 86 HE3 MET 86 -3.675 4.095 -1.361 684 H ALA 87 HN ALA 87 -6.885 7.357 -3.450 685 HA ALA 87 HA ALA 87 -8.953 6.173 -4.883 686 HB1 ALA 87 HB1 ALA 87 -7.333 8.514 -5.864 687 HB2 ALA 87 HB2 ALA 87 -8.499 8.628 -4.540 688 HB3 ALA 87 HB3 ALA 87 -9.038 8.167 -6.161 689 H ALA 88 HN ALA 88 -5.529 6.133 -5.478 690 HA ALA 88 HA ALA 88 -5.680 5.372 -8.234 691 HB1 ALA 88 HB1 ALA 88 -3.298 5.042 -8.092 692 HB2 ALA 88 HB2 ALA 88 -3.361 5.086 -6.331 693 HB3 ALA 88 HB3 ALA 88 -3.729 6.538 -7.262 694 H GLY 89 HN GLY 89 -4.504 3.555 -5.361 695 HA2 GLY 89 HA2 GLY 89 -4.345 1.035 -6.448 696 HA3 GLY 89 HA1 GLY 89 -4.825 1.333 -4.782 697 H ASP 90 HN ASP 90 -7.184 2.723 -5.313 698 HA ASP 90 HA ASP 90 -8.948 0.533 -6.052 699 HB2 ASP 90 HB2 ASP 90 -10.727 1.879 -5.050 700 HB3 ASP 90 HB1 ASP 90 -9.369 1.710 -3.941 701 H LYS 91 HN LYS 91 -7.512 1.650 -8.142 702 HA LYS 91 HA LYS 91 -8.123 3.642 -9.700 703 HB2 LYS 91 HB2 LYS 91 -6.729 1.634 -10.157 704 HB3 LYS 91 HB1 LYS 91 -8.195 0.788 -10.622 705 HG2 LYS 91 HG2 LYS 91 -7.190 3.279 -11.956 706 HG3 LYS 91 HG1 LYS 91 -6.851 1.632 -12.474 707 HD2 LYS 91 HD2 LYS 91 -9.534 1.548 -12.224 708 HD3 LYS 91 HD1 LYS 91 -9.298 3.217 -12.744 709 HE2 LYS 91 HE2 LYS 91 -8.022 2.443 -14.678 710 HE3 LYS 91 HE1 LYS 91 -8.230 0.772 -14.154 711 HZ1 LYS 91 HZ1 LYS 91 -10.428 2.621 -14.916 712 HZ2 LYS 91 HZ2 LYS 91 -10.608 1.005 -14.450 713 HZ3 LYS 91 HZ3 LYS 91 -9.806 1.384 -15.889 714 H ASP 92 HN ASP 92 -10.370 0.961 -9.201 715 HA ASP 92 HA ASP 92 -12.227 1.569 -11.168 716 HB2 ASP 92 HB2 ASP 92 -12.803 0.514 -8.391 717 HB3 ASP 92 HB1 ASP 92 -13.890 0.413 -9.772 718 H GLY 93 HN GLY 93 -11.451 3.361 -8.346 719 HA2 GLY 93 HA2 GLY 93 -12.055 5.572 -7.936 720 HA3 GLY 93 HA1 GLY 93 -13.400 5.391 -9.063 721 H ASP 94 HN ASP 94 -12.551 3.415 -6.252 722 HA ASP 94 HA ASP 94 -15.207 3.996 -5.148 723 HB2 ASP 94 HB2 ASP 94 -13.296 1.741 -4.498 724 HB3 ASP 94 HB1 ASP 94 -14.906 1.950 -3.816 725 H GLY 95 HN GLY 95 -12.056 4.994 -4.790 726 HA2 GLY 95 HA2 GLY 95 -10.914 6.102 -3.158 727 HA3 GLY 95 HA1 GLY 95 -12.488 6.530 -2.514 728 H LYS 96 HN LYS 96 -11.529 3.220 -2.806 729 HA LYS 96 HA LYS 96 -10.577 3.052 -0.086 730 HB2 LYS 96 HB2 LYS 96 -13.098 1.548 -0.854 731 HB3 LYS 96 HB1 LYS 96 -12.309 1.551 0.710 732 HG2 LYS 96 HG2 LYS 96 -12.767 3.970 0.910 733 HG3 LYS 96 HG1 LYS 96 -13.663 3.888 -0.605 734 HD2 LYS 96 HD2 LYS 96 -15.188 2.246 0.416 735 HD3 LYS 96 HD1 LYS 96 -14.309 2.404 1.939 736 HE2 LYS 96 HE2 LYS 96 -14.823 4.860 1.869 737 HE3 LYS 96 HE1 LYS 96 -15.881 4.529 0.495 738 HZ1 LYS 96 HZ1 LYS 96 -16.169 3.395 3.226 739 HZ2 LYS 96 HZ2 LYS 96 -17.163 3.027 1.908 740 HZ3 LYS 96 HZ3 LYS 96 -17.141 4.597 2.538 741 H ILE 97 HN ILE 97 -9.344 1.234 0.272 742 HA ILE 97 HA ILE 97 -8.920 -0.433 -2.112 743 HB ILE 97 HB ILE 97 -7.031 0.087 0.186 744 HG12 ILE 97 HG12 ILE 97 -7.112 1.144 -2.645 745 HG13 ILE 97 HG11 ILE 97 -7.257 2.076 -1.157 746 HG21 ILE 97 HG21 ILE 97 -5.362 -1.040 -1.235 747 HG22 ILE 97 HG22 ILE 97 -6.638 -1.439 -2.385 748 HG23 ILE 97 HG23 ILE 97 -6.676 -2.113 -0.756 749 HD11 ILE 97 HD11 ILE 97 -5.058 2.299 -2.221 750 HD12 ILE 97 HD12 ILE 97 -4.798 0.565 -2.011 751 HD13 ILE 97 HD13 ILE 97 -4.957 1.613 -0.600 752 H GLY 98 HN GLY 98 -9.904 -2.309 -1.995 753 HA2 GLY 98 HA2 GLY 98 -9.989 -3.732 0.584 754 HA3 GLY 98 HA1 GLY 98 -11.128 -3.974 -0.737 755 H VAL 99 HN VAL 99 -9.955 -6.176 0.301 756 HA VAL 99 HA VAL 99 -7.519 -7.030 -0.613 757 HB VAL 99 HB VAL 99 -9.068 -8.375 0.808 758 HG11 VAL 99 HG11 VAL 99 -10.803 -9.690 -0.144 759 HG12 VAL 99 HG12 VAL 99 -10.338 -9.232 -1.782 760 HG13 VAL 99 HG13 VAL 99 -11.051 -8.036 -0.697 761 HG21 VAL 99 HG21 VAL 99 -8.322 -10.528 -0.005 762 HG22 VAL 99 HG22 VAL 99 -7.040 -9.335 -0.215 763 HG23 VAL 99 HG23 VAL 99 -8.004 -9.846 -1.600 764 H GLU 100 HN GLU 100 -10.393 -6.466 -2.474 765 HA GLU 100 HA GLU 100 -9.584 -7.932 -4.791 766 HB2 GLU 100 HB2 GLU 100 -11.421 -5.732 -5.309 767 HB3 GLU 100 HB1 GLU 100 -11.609 -7.444 -5.646 768 HG2 GLU 100 HG2 GLU 100 -12.112 -6.045 -3.052 769 HG3 GLU 100 HG1 GLU 100 -13.337 -6.650 -4.164 770 H GLU 101 HN GLU 101 -9.851 -4.476 -4.056 771 HA GLU 101 HA GLU 101 -8.584 -3.573 -6.402 772 HB2 GLU 101 HB2 GLU 101 -9.128 -2.313 -3.735 773 HB3 GLU 101 HB1 GLU 101 -8.289 -1.437 -5.001 774 HG2 GLU 101 HG2 GLU 101 -10.735 -1.013 -4.877 775 HG3 GLU 101 HG1 GLU 101 -10.160 -1.563 -6.453 776 H PHE 102 HN PHE 102 -7.287 -4.704 -3.373 777 HA PHE 102 HA PHE 102 -4.790 -3.503 -3.351 778 HD1 PHE 102 HD1 PHE 102 -2.429 -5.829 -2.492 779 HD2 PHE 102 HD2 PHE 102 -5.342 -3.900 -0.101 780 HE1 PHE 102 HE1 PHE 102 -0.649 -5.092 -0.950 781 HE2 PHE 102 HE2 PHE 102 -3.587 -3.150 1.456 782 HZ PHE 102 HZ PHE 102 -1.234 -3.747 1.030 783 HB2 PHE 102 HB2 PHE 102 -5.974 -5.406 -1.825 784 HB3 PHE 102 HB1 PHE 102 -4.788 -6.377 -2.676 785 H SER 103 HN SER 103 -6.055 -5.895 -5.494 786 HA SER 103 HA SER 103 -3.502 -6.712 -6.529 787 HG SER 103 HG SER 103 -4.627 -8.938 -6.337 788 HB2 SER 103 HB2 SER 103 -6.300 -7.057 -7.644 789 HB3 SER 103 HB1 SER 103 -4.850 -7.830 -8.288 790 H THR 104 HN THR 104 -6.036 -4.429 -7.388 791 HA THR 104 HA THR 104 -5.031 -3.647 -9.894 792 HB THR 104 HB THR 104 -6.619 -1.919 -7.988 793 HG1 THR 104 HG1 THR 104 -7.586 -3.685 -10.006 794 HG21 THR 104 HG21 THR 104 -7.468 -0.933 -10.134 795 HG22 THR 104 HG22 THR 104 -6.238 -1.871 -10.982 796 HG23 THR 104 HG23 THR 104 -5.757 -0.632 -9.824 797 H LEU 105 HN LEU 105 -4.477 -2.328 -6.630 798 HA LEU 105 HA LEU 105 -2.979 -0.107 -7.322 799 HG LEU 105 HG LEU 105 -3.615 -2.779 -4.934 800 HB2 LEU 105 HB2 LEU 105 -1.626 -1.105 -5.083 801 HB3 LEU 105 HB1 LEU 105 -2.885 0.098 -5.114 802 HD11 LEU 105 HD11 LEU 105 -3.681 -2.184 -2.389 803 HD12 LEU 105 HD12 LEU 105 -2.441 -1.013 -2.837 804 HD13 LEU 105 HD13 LEU 105 -2.174 -2.732 -3.127 805 HD21 LEU 105 HD21 LEU 105 -5.608 -1.919 -3.968 806 HD22 LEU 105 HD22 LEU 105 -5.261 -0.919 -5.370 807 HD23 LEU 105 HD23 LEU 105 -4.892 -0.325 -3.757 808 H VAL 106 HN VAL 106 -2.145 -3.447 -7.578 809 HA VAL 106 HA VAL 106 0.687 -3.066 -7.748 810 HB VAL 106 HB VAL 106 -0.976 -5.366 -8.793 811 HG11 VAL 106 HG11 VAL 106 1.965 -5.231 -8.143 812 HG12 VAL 106 HG12 VAL 106 1.281 -5.212 -9.766 813 HG13 VAL 106 HG13 VAL 106 1.087 -6.635 -8.744 814 HG21 VAL 106 HG21 VAL 106 -1.311 -5.036 -6.400 815 HG22 VAL 106 HG22 VAL 106 0.434 -5.034 -6.147 816 HG23 VAL 106 HG23 VAL 106 -0.374 -6.497 -6.705 817 H ALA 107 HN ALA 107 -1.988 -3.194 -10.022 818 HA ALA 107 HA ALA 107 -0.299 -3.032 -12.348 819 HB1 ALA 107 HB1 ALA 107 -2.385 -2.837 -13.597 820 HB2 ALA 107 HB2 ALA 107 -3.282 -2.643 -12.089 821 HB3 ALA 107 HB3 ALA 107 -2.471 -4.168 -12.443 822 H GLU 108 HN GLU 108 -2.016 -0.850 -10.243 823 HA GLU 108 HA GLU 108 -2.143 1.447 -11.792 824 HB2 GLU 108 HB2 GLU 108 -1.774 1.019 -8.845 825 HB3 GLU 108 HB1 GLU 108 -1.845 2.634 -9.531 826 HG2 GLU 108 HG2 GLU 108 -3.998 0.670 -10.131 827 HG3 GLU 108 HG1 GLU 108 -4.004 1.554 -8.606 828 H SER 109 HN SER 109 0.292 0.854 -9.272 829 HA SER 109 HA SER 109 2.068 2.845 -10.023 830 HG SER 109 HG SER 109 4.421 2.070 -9.296 831 HB2 SER 109 HB2 SER 109 2.476 1.931 -7.919 832 HB3 SER 109 HB1 SER 109 2.389 0.275 -8.508 Start of MODEL 15 1 HA SER 1 HA SER 1 4.234 -5.505 8.585 2 HG SER 1 HG SER 1 5.799 -3.409 9.403 3 H1 SER 1 HT1 SER 1 5.659 -7.340 10.422 4 H2 SER 1 HT2 SER 1 3.990 -7.291 10.152 5 H3 SER 1 HT3 SER 1 4.765 -5.982 10.889 6 HB2 SER 1 HB2 SER 1 7.197 -5.814 9.145 7 HB3 SER 1 HB1 SER 1 6.495 -4.779 7.902 8 H MET 2 HN MET 2 4.316 -6.035 6.425 9 HA MET 2 HA MET 2 4.674 -8.828 5.843 10 HB2 MET 2 HB2 MET 2 2.802 -7.624 4.881 11 HB3 MET 2 HB1 MET 2 3.893 -6.508 4.078 12 HG2 MET 2 HG2 MET 2 3.404 -7.890 2.351 13 HG3 MET 2 HG1 MET 2 4.820 -8.715 2.994 14 HE1 MET 2 HE1 MET 2 3.427 -10.292 5.679 15 HE2 MET 2 HE2 MET 2 4.758 -10.655 4.583 16 HE3 MET 2 HE3 MET 2 3.427 -11.798 4.761 17 H THR 3 HN THR 3 7.046 -8.604 6.447 18 HA THR 3 HA THR 3 8.654 -7.671 4.168 19 HB THR 3 HB THR 3 10.590 -8.054 5.832 20 HG1 THR 3 HG1 THR 3 8.454 -7.808 7.699 21 HG21 THR 3 HG21 THR 3 9.943 -5.838 5.152 22 HG22 THR 3 HG22 THR 3 10.186 -5.840 6.900 23 HG23 THR 3 HG23 THR 3 8.551 -5.865 6.237 24 H ASP 4 HN ASP 4 7.502 -10.504 5.681 25 HA ASP 4 HA ASP 4 9.667 -12.248 5.020 26 HB2 ASP 4 HB2 ASP 4 6.807 -13.120 5.382 27 HB3 ASP 4 HB1 ASP 4 8.283 -14.005 5.764 28 H LEU 5 HN LEU 5 6.556 -11.444 3.551 29 HA LEU 5 HA LEU 5 7.029 -13.196 1.311 30 HG LEU 5 HG LEU 5 4.817 -14.315 1.238 31 HB2 LEU 5 HB2 LEU 5 4.831 -12.361 2.660 32 HB3 LEU 5 HB1 LEU 5 4.800 -11.304 1.270 33 HD11 LEU 5 HD11 LEU 5 2.577 -14.047 0.255 34 HD12 LEU 5 HD12 LEU 5 2.692 -12.306 0.520 35 HD13 LEU 5 HD13 LEU 5 2.683 -13.410 1.896 36 HD21 LEU 5 HD21 LEU 5 4.514 -14.086 -1.200 37 HD22 LEU 5 HD22 LEU 5 6.076 -13.479 -0.650 38 HD23 LEU 5 HD23 LEU 5 4.783 -12.351 -1.050 39 H LEU 6 HN LEU 6 6.438 -9.705 1.791 40 HA LEU 6 HA LEU 6 7.164 -9.051 -0.900 41 HG LEU 6 HG LEU 6 4.733 -8.347 0.798 42 HB2 LEU 6 HB2 LEU 6 6.866 -7.296 1.540 43 HB3 LEU 6 HB1 LEU 6 7.092 -6.705 -0.093 44 HD11 LEU 6 HD11 LEU 6 3.558 -6.100 0.474 45 HD12 LEU 6 HD12 LEU 6 5.168 -5.402 0.637 46 HD13 LEU 6 HD13 LEU 6 4.488 -6.348 1.953 47 HD21 LEU 6 HD21 LEU 6 5.314 -8.496 -1.603 48 HD22 LEU 6 HD22 LEU 6 5.182 -6.739 -1.717 49 HD23 LEU 6 HD23 LEU 6 3.762 -7.707 -1.321 50 H SER 7 HN SER 7 9.015 -7.829 -1.564 51 HA SER 7 HA SER 7 11.449 -8.773 -0.631 52 HG SER 7 HG SER 7 9.748 -6.462 -2.785 53 HB2 SER 7 HB2 SER 7 12.388 -6.701 -1.833 54 HB3 SER 7 HB1 SER 7 11.448 -7.844 -2.794 55 H ALA 8 HN ALA 8 12.230 -8.495 1.376 56 HA ALA 8 HA ALA 8 11.431 -6.417 3.118 57 HB1 ALA 8 HB1 ALA 8 12.263 -8.697 3.778 58 HB2 ALA 8 HB2 ALA 8 12.926 -7.346 4.697 59 HB3 ALA 8 HB3 ALA 8 13.892 -8.113 3.437 60 H GLU 9 HN GLU 9 14.379 -6.902 1.213 61 HA GLU 9 HA GLU 9 15.786 -4.679 2.219 62 HB2 GLU 9 HB2 GLU 9 17.243 -4.963 0.283 63 HB3 GLU 9 HB1 GLU 9 16.859 -6.518 0.998 64 HG2 GLU 9 HG2 GLU 9 15.127 -6.834 -0.744 65 HG3 GLU 9 HG1 GLU 9 15.672 -5.335 -1.497 66 H ASP 10 HN ASP 10 13.651 -5.052 -0.575 67 HA ASP 10 HA ASP 10 13.981 -2.503 -1.706 68 HB2 ASP 10 HB2 ASP 10 11.572 -4.316 -1.673 69 HB3 ASP 10 HB1 ASP 10 11.788 -2.950 -2.766 70 H ILE 11 HN ILE 11 11.432 -3.721 0.426 71 HA ILE 11 HA ILE 11 9.955 -1.385 0.712 72 HB ILE 11 HB ILE 11 10.364 -3.567 2.739 73 HG12 ILE 11 HG12 ILE 11 7.991 -3.465 0.945 74 HG13 ILE 11 HG11 ILE 11 9.512 -4.065 0.285 75 HG21 ILE 11 HG21 ILE 11 8.151 -2.905 3.577 76 HG22 ILE 11 HG22 ILE 11 8.111 -1.591 2.397 77 HG23 ILE 11 HG23 ILE 11 9.314 -1.583 3.692 78 HD11 ILE 11 HD11 ILE 11 7.783 -5.206 2.426 79 HD12 ILE 11 HD12 ILE 11 9.509 -5.572 2.400 80 HD13 ILE 11 HD13 ILE 11 8.499 -5.989 1.018 81 H LYS 12 HN LYS 12 12.482 -2.649 2.886 82 HA LYS 12 HA LYS 12 12.438 -0.607 4.753 83 HB2 LYS 12 HB2 LYS 12 13.818 -2.815 4.671 84 HB3 LYS 12 HB1 LYS 12 15.042 -1.816 3.896 85 HG2 LYS 12 HG2 LYS 12 14.692 -0.242 5.908 86 HG3 LYS 12 HG1 LYS 12 13.950 -1.647 6.670 87 HD2 LYS 12 HD2 LYS 12 15.987 -2.938 6.304 88 HD3 LYS 12 HD1 LYS 12 16.734 -1.551 5.510 89 HE2 LYS 12 HE2 LYS 12 16.538 -0.267 7.589 90 HE3 LYS 12 HE1 LYS 12 15.807 -1.664 8.379 91 HZ1 LYS 12 HZ1 LYS 12 17.845 -2.898 8.024 92 HZ2 LYS 12 HZ2 LYS 12 18.167 -1.477 8.880 93 HZ3 LYS 12 HZ3 LYS 12 18.547 -1.575 7.236 94 H LYS 13 HN LYS 13 14.256 -0.791 1.707 95 HA LYS 13 HA LYS 13 15.530 1.740 2.064 96 HB2 LYS 13 HB2 LYS 13 15.080 0.225 -0.505 97 HB3 LYS 13 HB1 LYS 13 16.298 1.460 -0.206 98 HG2 LYS 13 HG2 LYS 13 17.634 0.053 0.998 99 HG3 LYS 13 HG1 LYS 13 16.288 -0.972 1.499 100 HD2 LYS 13 HD2 LYS 13 16.101 -1.759 -0.864 101 HD3 LYS 13 HD1 LYS 13 17.573 -0.847 -1.228 102 HE2 LYS 13 HE2 LYS 13 18.766 -2.163 0.487 103 HE3 LYS 13 HE1 LYS 13 17.297 -3.102 0.750 104 HZ1 LYS 13 HZ1 LYS 13 18.752 -2.919 -1.833 105 HZ2 LYS 13 HZ2 LYS 13 17.401 -3.885 -1.511 106 HZ3 LYS 13 HZ3 LYS 13 18.874 -4.210 -0.744 107 H ALA 14 HN ALA 14 12.894 0.635 -0.061 108 HA ALA 14 HA ALA 14 12.354 3.118 -1.221 109 HB1 ALA 14 HB1 ALA 14 10.297 0.976 -0.748 110 HB2 ALA 14 HB2 ALA 14 11.556 0.848 -1.978 111 HB3 ALA 14 HB3 ALA 14 10.369 2.151 -2.064 112 H ILE 15 HN ILE 15 11.304 1.721 1.805 113 HA ILE 15 HA ILE 15 9.244 3.608 2.279 114 HB ILE 15 HB ILE 15 10.553 1.529 3.956 115 HG12 ILE 15 HG12 ILE 15 7.909 2.121 2.689 116 HG13 ILE 15 HG11 ILE 15 8.996 0.787 2.363 117 HG21 ILE 15 HG21 ILE 15 9.149 2.058 5.829 118 HG22 ILE 15 HG22 ILE 15 8.364 3.364 4.945 119 HG23 ILE 15 HG23 ILE 15 10.052 3.519 5.431 120 HD11 ILE 15 HD11 ILE 15 7.346 -0.256 3.558 121 HD12 ILE 15 HD12 ILE 15 7.023 1.180 4.522 122 HD13 ILE 15 HD13 ILE 15 8.442 0.190 4.870 123 H GLY 16 HN GLY 16 12.588 3.279 3.462 124 HA2 GLY 16 HA2 GLY 16 12.366 5.864 4.820 125 HA3 GLY 16 HA1 GLY 16 13.676 4.714 5.003 126 H ALA 17 HN ALA 17 14.567 4.332 2.468 127 HA ALA 17 HA ALA 17 16.410 6.208 1.984 128 HB1 ALA 17 HB1 ALA 17 16.556 5.473 -0.311 129 HB2 ALA 17 HB2 ALA 17 14.931 4.793 -0.227 130 HB3 ALA 17 HB3 ALA 17 16.231 4.098 0.742 131 H PHE 18 HN PHE 18 13.229 6.314 0.335 132 HA PHE 18 HA PHE 18 13.618 9.208 0.106 133 HD1 PHE 18 HD1 PHE 18 11.761 6.142 -0.832 134 HD2 PHE 18 HD2 PHE 18 12.329 8.529 -4.311 135 HE1 PHE 18 HE1 PHE 18 10.124 4.760 -2.045 136 HE2 PHE 18 HE2 PHE 18 10.695 7.153 -5.523 137 HZ PHE 18 HZ PHE 18 9.592 5.267 -4.392 138 HB2 PHE 18 HB2 PHE 18 13.070 9.298 -2.162 139 HB3 PHE 18 HB1 PHE 18 14.155 7.926 -2.031 140 H THR 19 HN THR 19 12.227 8.750 2.108 141 HA THR 19 HA THR 19 9.654 7.921 2.181 142 HB THR 19 HB THR 19 10.784 8.825 4.146 143 HG1 THR 19 HG1 THR 19 8.763 8.962 4.764 144 HG21 THR 19 HG21 THR 19 10.928 11.255 4.495 145 HG22 THR 19 HG22 THR 19 10.334 11.519 2.856 146 HG23 THR 19 HG23 THR 19 11.893 10.737 3.113 147 H ALA 20 HN ALA 20 10.833 10.781 0.577 148 HA ALA 20 HA ALA 20 8.649 12.362 0.254 149 HB1 ALA 20 HB1 ALA 20 10.832 12.913 -0.668 150 HB2 ALA 20 HB2 ALA 20 9.581 13.054 -1.903 151 HB3 ALA 20 HB3 ALA 20 10.652 11.652 -1.887 152 H ALA 21 HN ALA 21 9.345 9.357 -1.519 153 HA ALA 21 HA ALA 21 7.289 9.475 -3.383 154 HB1 ALA 21 HB1 ALA 21 8.777 7.730 -3.713 155 HB2 ALA 21 HB2 ALA 21 7.325 6.902 -3.154 156 HB3 ALA 21 HB3 ALA 21 8.664 7.183 -2.041 157 H ASP 22 HN ASP 22 7.185 7.621 -0.361 158 HA ASP 22 HA ASP 22 4.406 7.296 -0.327 159 HB2 ASP 22 HB2 ASP 22 4.757 6.975 2.195 160 HB3 ASP 22 HB1 ASP 22 5.643 5.892 1.125 161 H SER 23 HN SER 23 6.428 9.975 0.462 162 HA SER 23 HA SER 23 4.648 11.432 2.091 163 HG SER 23 HG SER 23 5.292 13.667 2.229 164 HB2 SER 23 HB2 SER 23 7.232 11.762 1.512 165 HB3 SER 23 HB1 SER 23 6.568 12.842 0.286 166 H PHE 24 HN PHE 24 5.410 11.648 -1.376 167 HA PHE 24 HA PHE 24 3.055 13.319 -1.817 168 HD1 PHE 24 HD2 PHE 24 2.628 15.111 -3.237 169 HD2 PHE 24 HD1 PHE 24 4.900 12.701 -5.908 170 HE1 PHE 24 HE2 PHE 24 1.369 16.037 -5.138 171 HE2 PHE 24 HE1 PHE 24 3.646 13.624 -7.814 172 HZ PHE 24 HZ PHE 24 1.878 15.294 -7.430 173 HB2 PHE 24 HB2 PHE 24 5.145 14.088 -2.809 174 HB3 PHE 24 HB1 PHE 24 5.325 12.562 -3.666 175 H ASP 25 HN ASP 25 4.554 10.566 -3.545 176 HA ASP 25 HA ASP 25 1.897 9.365 -3.820 177 HB2 ASP 25 HB2 ASP 25 3.802 9.941 -6.087 178 HB3 ASP 25 HB1 ASP 25 2.460 8.808 -6.217 179 H HIS 26 HN HIS 26 2.060 7.431 -2.881 180 HA HIS 26 HA HIS 26 4.500 6.023 -2.551 181 HD1 HIS 26 HD1 HIS 26 3.312 4.485 0.727 182 HD2 HIS 26 HD2 HIS 26 1.481 7.757 -1.064 183 HE1 HIS 26 HE1 HIS 26 2.737 6.048 2.610 184 HE2 HIS 26 HE2 HIS 26 1.597 8.004 1.506 185 HB2 HIS 26 HB2 HIS 26 1.674 4.948 -2.328 186 HB3 HIS 26 HB1 HIS 26 3.126 4.189 -1.696 187 H LYS 27 HN LYS 27 2.448 6.306 -5.260 188 HA LYS 27 HA LYS 27 2.389 3.864 -6.438 189 HB2 LYS 27 HB2 LYS 27 2.884 6.542 -7.706 190 HB3 LYS 27 HB1 LYS 27 2.448 5.108 -8.596 191 HG2 LYS 27 HG2 LYS 27 0.787 6.569 -6.566 192 HG3 LYS 27 HG1 LYS 27 0.506 6.464 -8.306 193 HD2 LYS 27 HD2 LYS 27 0.516 4.131 -6.434 194 HD3 LYS 27 HD1 LYS 27 -0.941 4.955 -6.991 195 HE2 LYS 27 HE2 LYS 27 1.040 3.361 -8.596 196 HE3 LYS 27 HE1 LYS 27 -0.688 3.073 -8.394 197 HZ1 LYS 27 HZ1 LYS 27 -0.254 4.025 -10.550 198 HZ2 LYS 27 HZ2 LYS 27 0.552 5.337 -9.863 199 HZ3 LYS 27 HZ3 LYS 27 -1.109 5.144 -9.615 200 H LYS 28 HN LYS 28 4.982 6.279 -6.820 201 HA LYS 28 HA LYS 28 6.711 4.622 -8.281 202 HB2 LYS 28 HB2 LYS 28 7.083 7.052 -6.564 203 HB3 LYS 28 HB1 LYS 28 8.500 6.180 -7.136 204 HG2 LYS 28 HG2 LYS 28 7.945 8.070 -8.581 205 HG3 LYS 28 HG1 LYS 28 7.832 6.532 -9.437 206 HD2 LYS 28 HD2 LYS 28 5.372 7.611 -8.164 207 HD3 LYS 28 HD1 LYS 28 5.953 8.385 -9.640 208 HE2 LYS 28 HE2 LYS 28 5.984 6.156 -10.732 209 HE3 LYS 28 HE1 LYS 28 5.266 5.470 -9.275 210 HZ1 LYS 28 HZ1 LYS 28 3.348 6.901 -9.586 211 HZ2 LYS 28 HZ2 LYS 28 3.596 5.940 -10.955 212 HZ3 LYS 28 HZ3 LYS 28 4.039 7.570 -10.978 213 H PHE 29 HN PHE 29 6.527 5.367 -4.837 214 HA PHE 29 HA PHE 29 8.523 3.746 -3.852 215 HD1 PHE 29 HD2 PHE 29 8.993 3.295 -1.206 216 HD2 PHE 29 HD1 PHE 29 4.750 3.073 -1.421 217 HE1 PHE 29 HE2 PHE 29 8.987 1.661 0.633 218 HE2 PHE 29 HE1 PHE 29 4.736 1.437 0.415 219 HZ PHE 29 HZ PHE 29 6.856 0.729 1.444 220 HB2 PHE 29 HB2 PHE 29 7.462 5.131 -2.273 221 HB3 PHE 29 HB1 PHE 29 5.854 4.590 -2.742 222 H PHE 30 HN PHE 30 5.317 2.895 -4.968 223 HA PHE 30 HA PHE 30 5.163 0.269 -4.016 224 HD1 PHE 30 HD2 PHE 30 2.306 1.590 -3.529 225 HD2 PHE 30 HD1 PHE 30 3.191 -1.614 -6.170 226 HE1 PHE 30 HE2 PHE 30 0.620 0.198 -2.397 227 HE2 PHE 30 HE1 PHE 30 1.504 -3.012 -5.052 228 HZ PHE 30 HZ PHE 30 0.221 -2.109 -3.159 229 HB2 PHE 30 HB2 PHE 30 3.582 1.945 -5.570 230 HB3 PHE 30 HB1 PHE 30 3.963 0.595 -6.640 231 H GLN 31 HN GLN 31 6.855 1.653 -6.682 232 HA GLN 31 HA GLN 31 7.461 -0.870 -7.920 233 HB2 GLN 31 HB2 GLN 31 8.759 1.778 -8.470 234 HB3 GLN 31 HB1 GLN 31 8.663 0.398 -9.544 235 HG2 GLN 31 HG2 GLN 31 6.235 0.715 -9.693 236 HG3 GLN 31 HG1 GLN 31 6.369 2.125 -8.643 237 HE21 GLN 31 HE21 GLN 31 5.565 3.525 -10.182 238 HE22 GLN 31 HE22 GLN 31 6.464 3.988 -11.583 239 H MET 32 HN MET 32 9.258 1.585 -6.092 240 HA MET 32 HA MET 32 11.717 0.126 -6.089 241 HB2 MET 32 HB2 MET 32 11.166 2.144 -3.973 242 HB3 MET 32 HB1 MET 32 12.614 1.892 -4.933 243 HG2 MET 32 HG2 MET 32 11.089 2.725 -6.888 244 HG3 MET 32 HG1 MET 32 10.155 3.424 -5.564 245 HE1 MET 32 HE1 MET 32 10.589 5.757 -6.870 246 HE2 MET 32 HE2 MET 32 11.676 5.006 -8.037 247 HE3 MET 32 HE3 MET 32 12.194 6.436 -7.142 248 H VAL 33 HN VAL 33 8.962 0.324 -3.977 249 HA VAL 33 HA VAL 33 10.087 -0.863 -1.685 250 HB VAL 33 HB VAL 33 7.921 0.358 -1.705 251 HG11 VAL 33 HG11 VAL 33 6.729 -2.146 -2.840 252 HG12 VAL 33 HG12 VAL 33 7.180 -0.777 -3.842 253 HG13 VAL 33 HG13 VAL 33 5.959 -0.585 -2.581 254 HG21 VAL 33 HG21 VAL 33 8.091 -0.791 0.252 255 HG22 VAL 33 HG22 VAL 33 8.216 -2.343 -0.570 256 HG23 VAL 33 HG23 VAL 33 6.651 -1.557 -0.422 257 H GLY 34 HN GLY 34 8.991 -2.144 -4.678 258 HA2 GLY 34 HA2 GLY 34 9.475 -4.252 -5.544 259 HA3 GLY 34 HA1 GLY 34 9.968 -4.770 -3.944 260 H LEU 35 HN LEU 35 6.907 -3.222 -4.447 261 HA LEU 35 HA LEU 35 5.483 -5.459 -3.372 262 HG LEU 35 HG LEU 35 4.058 -2.359 -2.175 263 HB2 LEU 35 HB2 LEU 35 4.859 -2.707 -4.257 264 HB3 LEU 35 HB1 LEU 35 3.539 -3.855 -4.339 265 HD11 LEU 35 HD11 LEU 35 3.134 -5.092 -1.569 266 HD12 LEU 35 HD12 LEU 35 2.272 -4.211 -2.833 267 HD13 LEU 35 HD13 LEU 35 2.391 -3.532 -1.208 268 HD21 LEU 35 HD21 LEU 35 5.384 -3.288 -0.577 269 HD22 LEU 35 HD22 LEU 35 6.270 -3.803 -2.014 270 HD23 LEU 35 HD23 LEU 35 5.178 -4.918 -1.208 271 H LYS 36 HN LYS 36 6.178 -4.202 -6.548 272 HA LYS 36 HA LYS 36 4.328 -6.009 -7.843 273 HB2 LYS 36 HB2 LYS 36 6.436 -4.219 -9.034 274 HB3 LYS 36 HB1 LYS 36 5.128 -5.004 -9.905 275 HG2 LYS 36 HG2 LYS 36 3.770 -3.297 -9.499 276 HG3 LYS 36 HG1 LYS 36 4.074 -3.412 -7.764 277 HD2 LYS 36 HD2 LYS 36 4.672 -1.184 -8.881 278 HD3 LYS 36 HD1 LYS 36 5.918 -1.947 -7.885 279 HE2 LYS 36 HE2 LYS 36 5.961 -2.765 -10.695 280 HE3 LYS 36 HE1 LYS 36 6.284 -1.049 -10.443 281 HZ1 LYS 36 HZ1 LYS 36 7.709 -2.805 -8.653 282 HZ2 LYS 36 HZ2 LYS 36 8.277 -1.499 -9.563 283 HZ3 LYS 36 HZ3 LYS 36 8.114 -3.019 -10.281 284 H LYS 37 HN LYS 37 7.460 -6.156 -6.569 285 HA LYS 37 HA LYS 37 9.077 -7.492 -8.254 286 HB2 LYS 37 HB2 LYS 37 9.556 -6.892 -5.868 287 HB3 LYS 37 HB1 LYS 37 8.673 -8.329 -5.370 288 HG2 LYS 37 HG2 LYS 37 10.913 -8.608 -7.315 289 HG3 LYS 37 HG1 LYS 37 11.279 -8.351 -5.609 290 HD2 LYS 37 HD2 LYS 37 9.948 -10.307 -5.018 291 HD3 LYS 37 HD1 LYS 37 9.537 -10.552 -6.717 292 HE2 LYS 37 HE2 LYS 37 11.808 -11.029 -7.273 293 HE3 LYS 37 HE1 LYS 37 12.361 -10.543 -5.672 294 HZ1 LYS 37 HZ1 LYS 37 10.536 -12.832 -6.154 295 HZ2 LYS 37 HZ2 LYS 37 11.312 -12.426 -4.707 296 HZ3 LYS 37 HZ3 LYS 37 12.217 -12.983 -6.022 297 H LYS 38 HN LYS 38 7.068 -9.382 -5.975 298 HA LYS 38 HA LYS 38 7.258 -11.669 -7.717 299 HB2 LYS 38 HB2 LYS 38 5.748 -11.254 -5.133 300 HB3 LYS 38 HB1 LYS 38 5.831 -12.782 -5.996 301 HG2 LYS 38 HG2 LYS 38 8.186 -12.937 -5.608 302 HG3 LYS 38 HG1 LYS 38 8.223 -11.307 -4.923 303 HD2 LYS 38 HD2 LYS 38 6.536 -12.163 -3.220 304 HD3 LYS 38 HD1 LYS 38 6.949 -13.782 -3.789 305 HE2 LYS 38 HE2 LYS 38 8.927 -11.778 -2.709 306 HE3 LYS 38 HE1 LYS 38 8.225 -13.102 -1.781 307 HZ1 LYS 38 HZ1 LYS 38 9.277 -14.685 -3.170 308 HZ2 LYS 38 HZ2 LYS 38 10.464 -13.561 -2.738 309 HZ3 LYS 38 HZ3 LYS 38 9.770 -13.507 -4.279 310 H SER 39 HN SER 39 4.166 -11.097 -6.175 311 HA SER 39 HA SER 39 2.940 -10.235 -8.664 312 HG SER 39 HG SER 39 1.453 -12.592 -6.406 313 HB2 SER 39 HB2 SER 39 1.284 -12.060 -8.636 314 HB3 SER 39 HB1 SER 39 2.920 -12.690 -8.836 315 H ALA 40 HN ALA 40 0.636 -9.626 -8.341 316 HA ALA 40 HA ALA 40 0.265 -7.957 -6.166 317 HB1 ALA 40 HB1 ALA 40 -2.105 -9.271 -7.428 318 HB2 ALA 40 HB2 ALA 40 -1.065 -8.233 -8.403 319 HB3 ALA 40 HB3 ALA 40 -1.864 -7.586 -6.970 320 H ASP 41 HN ASP 41 -0.504 -11.375 -6.514 321 HA ASP 41 HA ASP 41 -2.105 -11.742 -4.269 322 HB2 ASP 41 HB2 ASP 41 -0.015 -13.626 -5.392 323 HB3 ASP 41 HB1 ASP 41 -1.310 -14.080 -4.287 324 H ASP 42 HN ASP 42 1.415 -11.771 -4.594 325 HA ASP 42 HA ASP 42 2.133 -12.408 -1.996 326 HB2 ASP 42 HB2 ASP 42 3.495 -10.524 -3.935 327 HB3 ASP 42 HB1 ASP 42 4.239 -11.161 -2.473 328 H VAL 43 HN VAL 43 1.497 -9.209 -3.411 329 HA VAL 43 HA VAL 43 1.867 -7.826 -0.944 330 HB VAL 43 HB VAL 43 1.216 -5.858 -2.064 331 HG11 VAL 43 HG11 VAL 43 2.607 -7.730 -3.934 332 HG12 VAL 43 HG12 VAL 43 3.305 -6.473 -2.912 333 HG13 VAL 43 HG13 VAL 43 2.350 -6.033 -4.327 334 HG21 VAL 43 HG21 VAL 43 -0.933 -6.889 -3.002 335 HG22 VAL 43 HG22 VAL 43 0.046 -7.314 -4.392 336 HG23 VAL 43 HG23 VAL 43 -0.143 -5.629 -3.940 337 H LYS 44 HN LYS 44 -0.835 -9.187 -2.668 338 HA LYS 44 HA LYS 44 -3.032 -8.155 -1.365 339 HB2 LYS 44 HB2 LYS 44 -2.637 -10.033 -3.246 340 HB3 LYS 44 HB1 LYS 44 -2.988 -11.079 -1.887 341 HG2 LYS 44 HG2 LYS 44 -5.139 -10.036 -1.580 342 HG3 LYS 44 HG1 LYS 44 -4.791 -8.875 -2.864 343 HD2 LYS 44 HD2 LYS 44 -4.598 -10.746 -4.463 344 HD3 LYS 44 HD1 LYS 44 -5.023 -11.870 -3.172 345 HE2 LYS 44 HE2 LYS 44 -7.199 -10.846 -2.943 346 HE3 LYS 44 HE1 LYS 44 -6.776 -9.610 -4.129 347 HZ1 LYS 44 HZ1 LYS 44 -6.574 -11.355 -5.800 348 HZ2 LYS 44 HZ2 LYS 44 -8.123 -11.338 -5.123 349 HZ3 LYS 44 HZ3 LYS 44 -7.012 -12.523 -4.657 350 H LYS 45 HN LYS 45 -0.736 -10.529 -0.322 351 HA LYS 45 HA LYS 45 -2.150 -11.693 1.799 352 HB2 LYS 45 HB2 LYS 45 0.840 -11.318 1.592 353 HB3 LYS 45 HB1 LYS 45 -0.002 -12.502 2.580 354 HG2 LYS 45 HG2 LYS 45 -0.889 -12.861 -0.075 355 HG3 LYS 45 HG1 LYS 45 0.868 -12.716 -0.122 356 HD2 LYS 45 HD2 LYS 45 0.836 -14.910 0.369 357 HD3 LYS 45 HD1 LYS 45 0.529 -14.359 2.018 358 HE2 LYS 45 HE2 LYS 45 -1.520 -15.207 -0.026 359 HE3 LYS 45 HE1 LYS 45 -1.062 -16.075 1.437 360 HZ1 LYS 45 HZ1 LYS 45 -2.516 -13.502 1.241 361 HZ2 LYS 45 HZ2 LYS 45 -1.863 -14.078 2.692 362 HZ3 LYS 45 HZ3 LYS 45 -3.071 -14.958 1.899 363 H VAL 46 HN VAL 46 0.120 -8.942 1.760 364 HA VAL 46 HA VAL 46 0.113 -8.461 4.497 365 HB VAL 46 HB VAL 46 1.615 -7.315 2.839 366 HG11 VAL 46 HG11 VAL 46 0.266 -4.958 2.334 367 HG12 VAL 46 HG12 VAL 46 -0.924 -6.207 1.981 368 HG13 VAL 46 HG13 VAL 46 0.637 -6.218 1.162 369 HG21 VAL 46 HG21 VAL 46 1.956 -5.469 4.224 370 HG22 VAL 46 HG22 VAL 46 1.170 -6.657 5.263 371 HG23 VAL 46 HG23 VAL 46 0.239 -5.318 4.598 372 H PHE 47 HN PHE 47 -2.318 -7.910 2.105 373 HA PHE 47 HA PHE 47 -3.838 -5.885 3.069 374 HD1 PHE 47 HD1 PHE 47 -5.567 -4.866 2.139 375 HD2 PHE 47 HD2 PHE 47 -7.177 -8.802 2.220 376 HE1 PHE 47 HE1 PHE 47 -7.830 -3.930 2.343 377 HE2 PHE 47 HE2 PHE 47 -9.446 -7.874 2.422 378 HZ PHE 47 HZ PHE 47 -9.775 -5.436 2.485 379 HB2 PHE 47 HB2 PHE 47 -4.437 -7.201 1.081 380 HB3 PHE 47 HB1 PHE 47 -4.904 -8.530 2.140 381 H HIS 48 HN HIS 48 -3.808 -9.221 4.230 382 HA HIS 48 HA HIS 48 -5.783 -8.755 6.250 383 HD1 HIS 48 HD1 HIS 48 -7.289 -11.670 6.942 384 HD2 HIS 48 HD2 HIS 48 -3.553 -11.292 8.721 385 HE1 HIS 48 HE1 HIS 48 -7.551 -12.609 9.259 386 HE2 HIS 48 HE2 HIS 48 -5.294 -12.311 10.340 387 HB2 HIS 48 HB2 HIS 48 -5.486 -10.996 5.311 388 HB3 HIS 48 HB1 HIS 48 -3.820 -11.035 5.876 389 H ILE 49 HN ILE 49 -2.284 -8.810 6.045 390 HA ILE 49 HA ILE 49 -1.568 -8.772 8.719 391 HB ILE 49 HB ILE 49 -0.311 -7.213 6.442 392 HG12 ILE 49 HG12 ILE 49 -0.356 -9.579 5.949 393 HG13 ILE 49 HG11 ILE 49 1.289 -9.136 6.397 394 HG21 ILE 49 HG21 ILE 49 1.726 -7.222 7.820 395 HG22 ILE 49 HG22 ILE 49 0.824 -7.971 9.137 396 HG23 ILE 49 HG23 ILE 49 0.408 -6.344 8.598 397 HD11 ILE 49 HD11 ILE 49 1.019 -11.081 7.551 398 HD12 ILE 49 HD12 ILE 49 -0.699 -10.800 7.822 399 HD13 ILE 49 HD13 ILE 49 0.497 -9.914 8.769 400 H LEU 50 HN LEU 50 -2.320 -6.050 6.577 401 HA LEU 50 HA LEU 50 -2.393 -4.195 8.783 402 HG LEU 50 HG LEU 50 -3.413 -4.837 5.319 403 HB2 LEU 50 HB2 LEU 50 -2.715 -2.539 7.074 404 HB3 LEU 50 HB1 LEU 50 -1.431 -3.630 6.604 405 HD11 LEU 50 HD11 LEU 50 -4.943 -3.190 4.358 406 HD12 LEU 50 HD12 LEU 50 -4.279 -1.950 5.420 407 HD13 LEU 50 HD13 LEU 50 -5.153 -3.318 6.102 408 HD21 LEU 50 HD21 LEU 50 -2.731 -3.626 3.323 409 HD22 LEU 50 HD22 LEU 50 -1.334 -3.975 4.345 410 HD23 LEU 50 HD23 LEU 50 -2.025 -2.352 4.319 411 H ASP 51 HN ASP 51 -4.688 -5.801 6.607 412 HA ASP 51 HA ASP 51 -6.881 -4.645 8.214 413 HB2 ASP 51 HB2 ASP 51 -6.508 -4.870 5.321 414 HB3 ASP 51 HB1 ASP 51 -8.064 -5.478 5.878 415 H LYS 52 HN LYS 52 -6.201 -6.628 9.524 416 HA LYS 52 HA LYS 52 -6.916 -9.192 8.530 417 HB2 LYS 52 HB2 LYS 52 -6.332 -10.054 10.656 418 HB3 LYS 52 HB1 LYS 52 -5.190 -8.777 10.287 419 HG2 LYS 52 HG2 LYS 52 -7.557 -8.403 12.101 420 HG3 LYS 52 HG1 LYS 52 -5.960 -8.875 12.652 421 HD2 LYS 52 HD2 LYS 52 -5.072 -6.792 11.551 422 HD3 LYS 52 HD1 LYS 52 -6.746 -6.294 11.314 423 HE2 LYS 52 HE2 LYS 52 -5.500 -6.945 13.979 424 HE3 LYS 52 HE1 LYS 52 -5.721 -5.317 13.338 425 HZ1 LYS 52 HZ1 LYS 52 -8.101 -5.673 13.319 426 HZ2 LYS 52 HZ2 LYS 52 -7.490 -5.939 14.874 427 HZ3 LYS 52 HZ3 LYS 52 -7.904 -7.252 13.893 428 H ASP 53 HN ASP 53 -8.438 -7.099 10.994 429 HA ASP 53 HA ASP 53 -10.954 -8.530 10.473 430 HB2 ASP 53 HB2 ASP 53 -9.945 -7.299 13.039 431 HB3 ASP 53 HB1 ASP 53 -11.602 -7.848 12.807 432 H LYS 54 HN LYS 54 -9.571 -5.838 9.518 433 HA LYS 54 HA LYS 54 -10.951 -3.646 10.338 434 HB2 LYS 54 HB2 LYS 54 -9.212 -3.405 8.778 435 HB3 LYS 54 HB1 LYS 54 -10.060 -4.345 7.559 436 HG2 LYS 54 HG2 LYS 54 -10.186 -2.016 6.990 437 HG3 LYS 54 HG1 LYS 54 -11.788 -2.569 7.480 438 HD2 LYS 54 HD2 LYS 54 -11.447 -1.615 9.703 439 HD3 LYS 54 HD1 LYS 54 -9.834 -1.077 9.231 440 HE2 LYS 54 HE2 LYS 54 -11.392 0.770 9.105 441 HE3 LYS 54 HE1 LYS 54 -10.839 0.338 7.487 442 HZ1 LYS 54 HZ1 LYS 54 -13.429 -0.462 8.703 443 HZ2 LYS 54 HZ2 LYS 54 -12.901 -0.883 7.154 444 HZ3 LYS 54 HZ3 LYS 54 -13.218 0.737 7.528 445 H SER 55 HN SER 55 -11.921 -5.149 7.293 446 HA SER 55 HA SER 55 -14.531 -5.834 7.914 447 HG SER 55 HG SER 55 -14.231 -2.688 5.973 448 HB2 SER 55 HB2 SER 55 -15.796 -3.864 6.981 449 HB3 SER 55 HB1 SER 55 -15.020 -3.572 8.535 450 H GLY 56 HN GLY 56 -12.387 -6.549 6.084 451 HA2 GLY 56 HA2 GLY 56 -12.434 -7.613 4.015 452 HA3 GLY 56 HA1 GLY 56 -14.016 -6.912 3.721 453 H PHE 57 HN PHE 57 -12.514 -4.248 4.530 454 HA PHE 57 HA PHE 57 -10.810 -3.816 2.257 455 HD1 PHE 57 HD2 PHE 57 -14.833 -3.506 3.227 456 HD2 PHE 57 HD1 PHE 57 -12.826 -4.005 -0.481 457 HE1 PHE 57 HE2 PHE 57 -16.620 -5.024 2.474 458 HE2 PHE 57 HE1 PHE 57 -14.606 -5.527 -1.252 459 HZ PHE 57 HZ PHE 57 -16.508 -6.037 0.231 460 HB2 PHE 57 HB2 PHE 57 -13.073 -1.871 2.323 461 HB3 PHE 57 HB1 PHE 57 -12.084 -2.418 0.978 462 H ILE 58 HN ILE 58 -9.929 -1.643 2.239 463 HA ILE 58 HA ILE 58 -9.784 -0.557 4.982 464 HB ILE 58 HB ILE 58 -7.777 0.414 3.067 465 HG12 ILE 58 HG12 ILE 58 -7.551 -2.454 3.998 466 HG13 ILE 58 HG11 ILE 58 -8.029 -1.998 2.368 467 HG21 ILE 58 HG21 ILE 58 -6.287 -0.106 5.004 468 HG22 ILE 58 HG22 ILE 58 -7.702 -0.732 5.853 469 HG23 ILE 58 HG23 ILE 58 -7.634 0.967 5.388 470 HD11 ILE 58 HD11 ILE 58 -5.700 -2.567 2.401 471 HD12 ILE 58 HD12 ILE 58 -5.400 -1.414 3.698 472 HD13 ILE 58 HD13 ILE 58 -5.872 -0.839 2.100 473 H GLU 59 HN GLU 59 -10.048 1.576 5.347 474 HA GLU 59 HA GLU 59 -11.512 2.952 3.223 475 HB2 GLU 59 HB2 GLU 59 -11.533 2.968 6.183 476 HB3 GLU 59 HB1 GLU 59 -12.008 4.451 5.351 477 HG2 GLU 59 HG2 GLU 59 -13.735 3.211 4.141 478 HG3 GLU 59 HG1 GLU 59 -13.256 1.732 4.975 479 H GLU 60 HN GLU 60 -10.561 4.413 2.151 480 HA GLU 60 HA GLU 60 -8.068 5.341 2.167 481 HB2 GLU 60 HB2 GLU 60 -8.876 7.325 1.003 482 HB3 GLU 60 HB1 GLU 60 -9.672 5.865 0.440 483 HG2 GLU 60 HG2 GLU 60 -11.669 6.389 1.476 484 HG3 GLU 60 HG1 GLU 60 -10.879 7.486 2.604 485 H ASP 61 HN ASP 61 -10.581 6.467 4.326 486 HA ASP 61 HA ASP 61 -9.210 8.789 5.216 487 HB2 ASP 61 HB2 ASP 61 -11.428 7.159 6.480 488 HB3 ASP 61 HB1 ASP 61 -10.855 8.704 7.112 489 H GLU 62 HN GLU 62 -9.680 5.583 6.681 490 HA GLU 62 HA GLU 62 -7.710 6.155 8.732 491 HB2 GLU 62 HB2 GLU 62 -9.731 4.868 9.295 492 HB3 GLU 62 HB1 GLU 62 -9.255 3.621 8.149 493 HG2 GLU 62 HG2 GLU 62 -7.293 3.112 9.468 494 HG3 GLU 62 HG1 GLU 62 -7.681 4.419 10.586 495 H LEU 63 HN LEU 63 -7.804 4.795 5.608 496 HA LEU 63 HA LEU 63 -5.868 2.870 5.602 497 HG LEU 63 HG LEU 63 -6.758 1.868 3.783 498 HB2 LEU 63 HB2 LEU 63 -7.259 4.385 3.728 499 HB3 LEU 63 HB1 LEU 63 -5.565 4.574 3.316 500 HD11 LEU 63 HD11 LEU 63 -7.176 3.651 1.485 501 HD12 LEU 63 HD12 LEU 63 -8.141 2.295 2.063 502 HD13 LEU 63 HD13 LEU 63 -6.694 2.000 1.101 503 HD21 LEU 63 HD21 LEU 63 -4.263 2.963 2.603 504 HD22 LEU 63 HD22 LEU 63 -4.903 1.446 1.972 505 HD23 LEU 63 HD23 LEU 63 -4.495 1.589 3.682 506 H GLY 64 HN GLY 64 -5.553 6.301 5.862 507 HA2 GLY 64 HA2 GLY 64 -2.750 6.431 5.369 508 HA3 GLY 64 HA1 GLY 64 -3.731 7.681 6.133 509 H SER 65 HN SER 65 -4.710 5.724 8.132 510 HA SER 65 HA SER 65 -2.579 6.061 10.046 511 HG SER 65 HG SER 65 -5.765 6.810 10.061 512 HB2 SER 65 HB2 SER 65 -5.285 4.728 10.320 513 HB3 SER 65 HB1 SER 65 -4.200 5.125 11.652 514 H ILE 66 HN ILE 66 -4.498 3.275 8.938 515 HA ILE 66 HA ILE 66 -2.881 1.288 10.057 516 HB ILE 66 HB ILE 66 -5.133 0.822 9.241 517 HG12 ILE 66 HG12 ILE 66 -4.689 -1.313 8.122 518 HG13 ILE 66 HG11 ILE 66 -3.046 -0.774 7.801 519 HG21 ILE 66 HG21 ILE 66 -4.009 1.060 6.464 520 HG22 ILE 66 HG22 ILE 66 -5.007 2.284 7.247 521 HG23 ILE 66 HG23 ILE 66 -5.675 0.687 6.909 522 HD11 ILE 66 HD11 ILE 66 -3.150 -2.309 9.690 523 HD12 ILE 66 HD12 ILE 66 -4.233 -1.196 10.525 524 HD13 ILE 66 HD13 ILE 66 -2.572 -0.715 10.175 525 H LEU 67 HN LEU 67 -2.475 3.207 7.203 526 HA LEU 67 HA LEU 67 -0.877 1.710 5.546 527 HG LEU 67 HG LEU 67 -0.707 4.794 3.671 528 HB2 LEU 67 HB2 LEU 67 -1.474 4.443 5.929 529 HB3 LEU 67 HB1 LEU 67 0.273 4.333 5.869 530 HD11 LEU 67 HD11 LEU 67 1.398 3.747 3.635 531 HD12 LEU 67 HD12 LEU 67 0.401 2.881 2.468 532 HD13 LEU 67 HD13 LEU 67 0.705 2.183 4.057 533 HD21 LEU 67 HD21 LEU 67 -2.764 3.794 3.514 534 HD22 LEU 67 HD22 LEU 67 -2.217 2.299 4.270 535 HD23 LEU 67 HD23 LEU 67 -1.778 2.652 2.601 536 H LYS 68 HN LYS 68 -0.080 3.115 8.629 537 HA LYS 68 HA LYS 68 2.659 3.134 8.592 538 HB2 LYS 68 HB2 LYS 68 0.882 2.324 10.884 539 HB3 LYS 68 HB1 LYS 68 2.554 2.858 11.007 540 HG2 LYS 68 HG2 LYS 68 2.030 5.051 10.501 541 HG3 LYS 68 HG1 LYS 68 0.514 4.612 9.710 542 HD2 LYS 68 HD2 LYS 68 0.088 5.696 11.847 543 HD3 LYS 68 HD1 LYS 68 -0.438 4.013 11.888 544 HE2 LYS 68 HE2 LYS 68 2.237 4.931 12.919 545 HE3 LYS 68 HE1 LYS 68 0.795 4.842 13.929 546 HZ1 LYS 68 HZ1 LYS 68 0.815 2.407 12.829 547 HZ2 LYS 68 HZ2 LYS 68 1.527 2.773 14.317 548 HZ3 LYS 68 HZ3 LYS 68 2.478 2.713 12.922 549 H GLY 69 HN GLY 69 0.565 0.368 8.522 550 HA2 GLY 69 HA2 GLY 69 1.952 -1.679 9.629 551 HA3 GLY 69 HA1 GLY 69 1.152 -1.834 8.068 552 H PHE 70 HN PHE 70 2.589 -0.432 6.354 553 HA PHE 70 HA PHE 70 5.202 -1.737 6.434 554 HD1 PHE 70 HD2 PHE 70 1.929 -2.295 4.974 555 HD2 PHE 70 HD1 PHE 70 3.904 0.787 2.801 556 HE1 PHE 70 HE2 PHE 70 -0.226 -1.588 4.022 557 HE2 PHE 70 HE1 PHE 70 1.749 1.497 1.837 558 HZ PHE 70 HZ PHE 70 -0.316 0.305 2.451 559 HB2 PHE 70 HB2 PHE 70 5.154 -0.755 3.945 560 HB3 PHE 70 HB1 PHE 70 4.467 -2.316 4.363 561 H SER 71 HN SER 71 3.663 1.366 5.882 562 HA SER 71 HA SER 71 6.060 2.851 5.507 563 HG SER 71 HG SER 71 2.227 4.033 5.382 564 HB2 SER 71 HB2 SER 71 4.442 4.830 5.814 565 HB3 SER 71 HB1 SER 71 4.207 3.764 4.429 566 H SER 72 HN SER 72 5.010 1.492 8.300 567 HA SER 72 HA SER 72 4.907 3.413 10.245 568 HG SER 72 HG SER 72 7.300 1.225 11.835 569 HB2 SER 72 HB2 SER 72 4.662 1.265 11.085 570 HB3 SER 72 HB1 SER 72 6.072 0.652 10.222 571 H ASP 73 HN ASP 73 7.672 2.535 8.325 572 HA ASP 73 HA ASP 73 9.377 4.291 9.952 573 HB2 ASP 73 HB2 ASP 73 10.340 2.457 7.773 574 HB3 ASP 73 HB1 ASP 73 11.255 3.190 9.088 575 H ALA 74 HN ALA 74 7.385 5.361 8.183 576 HA ALA 74 HA ALA 74 9.121 6.993 6.514 577 HB1 ALA 74 HB1 ALA 74 6.837 5.394 5.370 578 HB2 ALA 74 HB2 ALA 74 8.543 5.278 4.950 579 HB3 ALA 74 HB3 ALA 74 7.633 6.726 4.533 580 H ARG 75 HN ARG 75 5.633 6.729 6.081 581 HA ARG 75 HA ARG 75 5.031 8.911 7.853 582 HE ARG 75 HE ARG 75 4.779 12.325 6.314 583 HB2 ARG 75 HB2 ARG 75 4.818 9.355 4.869 584 HB3 ARG 75 HB1 ARG 75 4.269 10.465 6.115 585 HG2 ARG 75 HG2 ARG 75 6.652 10.568 6.916 586 HG3 ARG 75 HG1 ARG 75 7.093 9.695 5.447 587 HD2 ARG 75 HD2 ARG 75 7.382 12.086 5.137 588 HD3 ARG 75 HD1 ARG 75 6.090 11.476 4.096 589 HH11 ARG 75 HH11 ARG 75 7.072 13.806 4.156 590 HH12 ARG 75 HH12 ARG 75 6.433 15.404 4.365 591 HH21 ARG 75 HH21 ARG 75 3.930 14.422 6.599 592 HH22 ARG 75 HH22 ARG 75 4.649 15.753 5.757 593 H ASP 76 HN ASP 76 2.624 9.760 6.802 594 HA ASP 76 HA ASP 76 1.087 7.257 6.585 595 HB2 ASP 76 HB2 ASP 76 0.352 9.754 8.122 596 HB3 ASP 76 HB1 ASP 76 -0.692 8.350 7.915 597 H LEU 77 HN LEU 77 -0.563 7.164 5.177 598 HA LEU 77 HA LEU 77 -0.646 8.884 2.941 599 HG LEU 77 HG LEU 77 -1.089 7.686 1.300 600 HB2 LEU 77 HB2 LEU 77 -1.727 6.412 3.722 601 HB3 LEU 77 HB1 LEU 77 -3.106 7.423 3.333 602 HD11 LEU 77 HD11 LEU 77 -1.269 5.382 0.405 603 HD12 LEU 77 HD12 LEU 77 -1.991 4.887 1.936 604 HD13 LEU 77 HD13 LEU 77 -0.334 5.491 1.896 605 HD21 LEU 77 HD21 LEU 77 -3.652 8.066 1.336 606 HD22 LEU 77 HD22 LEU 77 -3.731 6.341 0.991 607 HD23 LEU 77 HD23 LEU 77 -2.902 7.421 -0.120 608 H SER 78 HN SER 78 -1.141 11.014 3.338 609 HA SER 78 HA SER 78 -3.310 11.734 5.107 610 HG SER 78 HG SER 78 -1.385 13.456 6.081 611 HB2 SER 78 HB2 SER 78 -1.593 13.455 3.300 612 HB3 SER 78 HB1 SER 78 -2.719 14.057 4.516 613 H ALA 79 HN ALA 79 -4.662 13.730 4.042 614 HA ALA 79 HA ALA 79 -6.653 12.646 2.503 615 HB1 ALA 79 HB1 ALA 79 -7.392 14.883 2.046 616 HB2 ALA 79 HB2 ALA 79 -5.777 15.524 2.353 617 HB3 ALA 79 HB3 ALA 79 -6.723 14.845 3.680 618 H LYS 80 HN LYS 80 -3.915 14.576 1.356 619 HA LYS 80 HA LYS 80 -4.391 14.612 -1.347 620 HB2 LYS 80 HB2 LYS 80 -2.547 15.830 -0.383 621 HB3 LYS 80 HB1 LYS 80 -1.771 14.339 0.136 622 HG2 LYS 80 HG2 LYS 80 -1.586 13.724 -2.300 623 HG3 LYS 80 HG1 LYS 80 -2.096 15.373 -2.668 624 HD2 LYS 80 HD2 LYS 80 0.331 14.566 -1.068 625 HD3 LYS 80 HD1 LYS 80 0.331 15.203 -2.714 626 HE2 LYS 80 HE2 LYS 80 -0.549 17.311 -1.942 627 HE3 LYS 80 HE1 LYS 80 -0.723 16.680 -0.305 628 HZ1 LYS 80 HZ1 LYS 80 1.851 17.013 -1.749 629 HZ2 LYS 80 HZ2 LYS 80 1.668 16.459 -0.161 630 HZ3 LYS 80 HZ3 LYS 80 1.260 18.053 -0.552 631 H GLU 81 HN GLU 81 -2.737 12.092 0.512 632 HA GLU 81 HA GLU 81 -2.258 10.401 -1.727 633 HB2 GLU 81 HB2 GLU 81 -2.353 9.501 1.132 634 HB3 GLU 81 HB1 GLU 81 -1.344 8.879 -0.156 635 HG2 GLU 81 HG2 GLU 81 -1.045 11.533 1.225 636 HG3 GLU 81 HG1 GLU 81 -0.002 10.122 1.398 637 H THR 82 HN THR 82 -4.762 10.663 0.743 638 HA THR 82 HA THR 82 -6.085 8.248 0.347 639 HB THR 82 HB THR 82 -6.992 11.013 1.109 640 HG1 THR 82 HG1 THR 82 -5.919 9.264 2.495 641 HG21 THR 82 HG21 THR 82 -8.758 8.981 0.054 642 HG22 THR 82 HG22 THR 82 -9.117 10.634 0.544 643 HG23 THR 82 HG23 THR 82 -9.135 9.337 1.739 644 H LYS 83 HN LYS 83 -6.503 11.351 -1.278 645 HA LYS 83 HA LYS 83 -8.230 10.318 -3.301 646 HB2 LYS 83 HB2 LYS 83 -6.736 12.940 -3.134 647 HB3 LYS 83 HB1 LYS 83 -7.975 12.556 -4.320 648 HG2 LYS 83 HG2 LYS 83 -8.703 12.252 -1.471 649 HG3 LYS 83 HG1 LYS 83 -8.485 13.892 -2.082 650 HD2 LYS 83 HD2 LYS 83 -10.815 13.202 -2.272 651 HD3 LYS 83 HD1 LYS 83 -10.101 13.438 -3.868 652 HE2 LYS 83 HE2 LYS 83 -11.497 11.414 -3.748 653 HE3 LYS 83 HE1 LYS 83 -9.816 11.050 -4.132 654 HZ1 LYS 83 HZ1 LYS 83 -11.088 10.784 -1.461 655 HZ2 LYS 83 HZ2 LYS 83 -9.463 10.465 -1.803 656 HZ3 LYS 83 HZ3 LYS 83 -10.676 9.511 -2.497 657 H THR 84 HN THR 84 -4.760 10.687 -2.942 658 HA THR 84 HA THR 84 -4.336 10.457 -5.785 659 HB THR 84 HB THR 84 -2.297 10.643 -3.596 660 HG1 THR 84 HG1 THR 84 -3.222 12.601 -5.450 661 HG21 THR 84 HG21 THR 84 -0.710 11.141 -5.381 662 HG22 THR 84 HG22 THR 84 -1.977 10.909 -6.585 663 HG23 THR 84 HG23 THR 84 -1.423 9.546 -5.615 664 H LEU 85 HN LEU 85 -3.213 8.591 -2.954 665 HA LEU 85 HA LEU 85 -2.406 6.455 -4.729 666 HG LEU 85 HG LEU 85 0.197 6.734 -2.097 667 HB2 LEU 85 HB2 LEU 85 -2.219 6.720 -1.757 668 HB3 LEU 85 HB1 LEU 85 -1.681 5.302 -2.629 669 HD11 LEU 85 HD11 LEU 85 -0.583 6.223 -4.890 670 HD12 LEU 85 HD12 LEU 85 0.856 5.739 -4.004 671 HD13 LEU 85 HD13 LEU 85 0.726 7.375 -4.652 672 HD21 LEU 85 HD21 LEU 85 -0.986 8.878 -3.827 673 HD22 LEU 85 HD22 LEU 85 0.378 8.980 -2.713 674 HD23 LEU 85 HD23 LEU 85 -1.259 8.821 -2.089 675 H MET 86 HN MET 86 -4.762 6.652 -2.011 676 HA MET 86 HA MET 86 -5.625 3.985 -2.372 677 HB2 MET 86 HB2 MET 86 -7.455 6.162 -1.375 678 HB3 MET 86 HB1 MET 86 -7.477 4.452 -0.991 679 HG2 MET 86 HG2 MET 86 -5.343 6.402 -0.168 680 HG3 MET 86 HG1 MET 86 -6.593 5.712 0.869 681 HE1 MET 86 HE1 MET 86 -3.800 4.105 -1.750 682 HE2 MET 86 HE2 MET 86 -2.661 3.847 -0.429 683 HE3 MET 86 HE3 MET 86 -3.279 5.465 -0.758 684 H ALA 87 HN ALA 87 -6.916 7.011 -3.669 685 HA ALA 87 HA ALA 87 -9.020 5.941 -5.143 686 HB1 ALA 87 HB1 ALA 87 -7.371 8.231 -6.160 687 HB2 ALA 87 HB2 ALA 87 -8.368 8.396 -4.709 688 HB3 ALA 87 HB3 ALA 87 -9.116 7.987 -6.257 689 H ALA 88 HN ALA 88 -5.594 5.834 -5.685 690 HA ALA 88 HA ALA 88 -5.773 5.073 -8.461 691 HB1 ALA 88 HB1 ALA 88 -3.837 6.324 -7.676 692 HB2 ALA 88 HB2 ALA 88 -3.346 4.748 -8.293 693 HB3 ALA 88 HB3 ALA 88 -3.434 5.026 -6.553 694 H GLY 89 HN GLY 89 -4.447 3.400 -5.576 695 HA2 GLY 89 HA2 GLY 89 -4.271 0.852 -6.625 696 HA3 GLY 89 HA1 GLY 89 -4.607 1.188 -4.928 697 H ASP 90 HN ASP 90 -7.038 2.570 -5.421 698 HA ASP 90 HA ASP 90 -8.822 0.313 -5.913 699 HB2 ASP 90 HB2 ASP 90 -9.136 1.492 -3.800 700 HB3 ASP 90 HB1 ASP 90 -9.323 3.024 -4.650 701 H LYS 91 HN LYS 91 -7.526 1.446 -8.097 702 HA LYS 91 HA LYS 91 -8.315 3.402 -9.642 703 HB2 LYS 91 HB2 LYS 91 -6.886 1.383 -10.135 704 HB3 LYS 91 HB1 LYS 91 -8.364 0.563 -10.609 705 HG2 LYS 91 HG2 LYS 91 -7.445 3.123 -11.856 706 HG3 LYS 91 HG1 LYS 91 -6.991 1.520 -12.419 707 HD2 LYS 91 HD2 LYS 91 -9.751 1.405 -12.127 708 HD3 LYS 91 HD1 LYS 91 -9.439 2.983 -12.853 709 HE2 LYS 91 HE2 LYS 91 -9.764 1.350 -14.596 710 HE3 LYS 91 HE1 LYS 91 -8.079 1.869 -14.589 711 HZ1 LYS 91 HZ1 LYS 91 -9.120 -0.639 -13.389 712 HZ2 LYS 91 HZ2 LYS 91 -7.504 -0.140 -13.374 713 HZ3 LYS 91 HZ3 LYS 91 -8.257 -0.521 -14.841 714 H ASP 92 HN ASP 92 -10.358 0.612 -8.995 715 HA ASP 92 HA ASP 92 -12.364 1.046 -10.852 716 HB2 ASP 92 HB2 ASP 92 -12.632 -0.034 -8.041 717 HB3 ASP 92 HB1 ASP 92 -13.865 -0.174 -9.292 718 H GLY 93 HN GLY 93 -11.587 2.957 -8.110 719 HA2 GLY 93 HA2 GLY 93 -12.383 5.069 -7.601 720 HA3 GLY 93 HA1 GLY 93 -13.641 4.854 -8.807 721 H ASP 94 HN ASP 94 -12.758 3.208 -5.761 722 HA ASP 94 HA ASP 94 -15.574 3.492 -4.945 723 HB2 ASP 94 HB2 ASP 94 -13.557 1.354 -4.251 724 HB3 ASP 94 HB1 ASP 94 -15.124 1.512 -3.460 725 H GLY 95 HN GLY 95 -12.464 4.607 -4.266 726 HA2 GLY 95 HA2 GLY 95 -11.801 6.078 -2.592 727 HA3 GLY 95 HA1 GLY 95 -13.390 5.891 -1.886 728 H LYS 96 HN LYS 96 -12.301 2.885 -2.312 729 HA LYS 96 HA LYS 96 -10.758 2.691 0.146 730 HB2 LYS 96 HB2 LYS 96 -13.068 0.791 -0.186 731 HB3 LYS 96 HB1 LYS 96 -12.238 1.275 1.277 732 HG2 LYS 96 HG2 LYS 96 -13.248 3.561 0.973 733 HG3 LYS 96 HG1 LYS 96 -14.255 2.847 -0.287 734 HD2 LYS 96 HD2 LYS 96 -15.229 1.315 1.295 735 HD3 LYS 96 HD1 LYS 96 -14.128 1.865 2.563 736 HE2 LYS 96 HE2 LYS 96 -15.109 4.128 2.377 737 HE3 LYS 96 HE1 LYS 96 -16.259 3.501 1.195 738 HZ1 LYS 96 HZ1 LYS 96 -17.138 2.012 2.871 739 HZ2 LYS 96 HZ2 LYS 96 -17.215 3.609 3.421 740 HZ3 LYS 96 HZ3 LYS 96 -16.015 2.569 4.007 741 H ILE 97 HN ILE 97 -9.411 0.853 0.203 742 HA ILE 97 HA ILE 97 -9.247 -0.530 -2.382 743 HB ILE 97 HB ILE 97 -7.151 -0.231 -0.228 744 HG12 ILE 97 HG12 ILE 97 -7.438 1.029 -2.964 745 HG13 ILE 97 HG11 ILE 97 -7.531 1.853 -1.410 746 HG21 ILE 97 HG21 ILE 97 -5.607 -1.245 -1.841 747 HG22 ILE 97 HG22 ILE 97 -6.950 -1.520 -2.949 748 HG23 ILE 97 HG23 ILE 97 -6.904 -2.354 -1.395 749 HD11 ILE 97 HD11 ILE 97 -5.375 2.098 -2.690 750 HD12 ILE 97 HD12 ILE 97 -5.070 0.402 -2.325 751 HD13 ILE 97 HD13 ILE 97 -5.229 1.572 -1.015 752 H GLY 98 HN GLY 98 -10.242 -2.403 -2.405 753 HA2 GLY 98 HA2 GLY 98 -10.399 -4.057 -0.017 754 HA3 GLY 98 HA1 GLY 98 -11.211 -4.348 -1.551 755 H VAL 99 HN VAL 99 -10.008 -6.439 -0.298 756 HA VAL 99 HA VAL 99 -7.369 -6.996 -0.779 757 HB VAL 99 HB VAL 99 -9.018 -8.511 0.360 758 HG11 VAL 99 HG11 VAL 99 -10.358 -10.023 -0.856 759 HG12 VAL 99 HG12 VAL 99 -9.604 -9.576 -2.387 760 HG13 VAL 99 HG13 VAL 99 -10.662 -8.433 -1.560 761 HG21 VAL 99 HG21 VAL 99 -6.921 -9.448 0.150 762 HG22 VAL 99 HG22 VAL 99 -6.993 -9.468 -1.609 763 HG23 VAL 99 HG23 VAL 99 -7.930 -10.635 -0.678 764 H GLU 100 HN GLU 100 -10.016 -7.020 -3.094 765 HA GLU 100 HA GLU 100 -8.519 -8.207 -5.216 766 HB2 GLU 100 HB2 GLU 100 -10.725 -6.541 -6.103 767 HB3 GLU 100 HB1 GLU 100 -10.448 -8.252 -6.368 768 HG2 GLU 100 HG2 GLU 100 -11.662 -6.989 -3.945 769 HG3 GLU 100 HG1 GLU 100 -12.539 -7.831 -5.218 770 H GLU 101 HN GLU 101 -9.708 -4.937 -4.590 771 HA GLU 101 HA GLU 101 -8.542 -3.655 -6.764 772 HB2 GLU 101 HB2 GLU 101 -9.333 -2.705 -4.032 773 HB3 GLU 101 HB1 GLU 101 -8.663 -1.606 -5.222 774 HG2 GLU 101 HG2 GLU 101 -11.139 -1.630 -5.117 775 HG3 GLU 101 HG1 GLU 101 -10.475 -1.983 -6.710 776 H PHE 102 HN PHE 102 -7.153 -4.527 -3.657 777 HA PHE 102 HA PHE 102 -4.910 -2.912 -3.610 778 HD1 PHE 102 HD2 PHE 102 -4.753 -2.927 -0.580 779 HD2 PHE 102 HD1 PHE 102 -2.344 -5.614 -2.811 780 HE1 PHE 102 HE2 PHE 102 -2.779 -2.192 0.691 781 HE2 PHE 102 HE1 PHE 102 -0.356 -4.890 -1.547 782 HZ PHE 102 HZ PHE 102 -0.573 -3.175 0.207 783 HB2 PHE 102 HB2 PHE 102 -5.721 -4.696 -1.909 784 HB3 PHE 102 HB1 PHE 102 -4.721 -5.806 -2.829 785 H SER 103 HN SER 103 -5.607 -5.697 -5.580 786 HA SER 103 HA SER 103 -2.927 -6.058 -6.510 787 HG SER 103 HG SER 103 -6.489 -7.227 -7.289 788 HB2 SER 103 HB2 SER 103 -3.886 -7.622 -8.110 789 HB3 SER 103 HB1 SER 103 -4.626 -7.885 -6.532 790 H THR 104 HN THR 104 -5.804 -4.373 -7.653 791 HA THR 104 HA THR 104 -4.963 -3.653 -10.198 792 HB THR 104 HB THR 104 -6.609 -1.962 -8.295 793 HG1 THR 104 HG1 THR 104 -7.336 -4.200 -8.875 794 HG21 THR 104 HG21 THR 104 -7.578 -1.207 -10.577 795 HG22 THR 104 HG22 THR 104 -6.064 -1.819 -11.242 796 HG23 THR 104 HG23 THR 104 -6.042 -0.527 -10.042 797 H LEU 105 HN LEU 105 -4.240 -2.241 -7.067 798 HA LEU 105 HA LEU 105 -2.962 0.106 -7.839 799 HG LEU 105 HG LEU 105 -2.550 1.342 -5.576 800 HB2 LEU 105 HB2 LEU 105 -3.525 -0.847 -5.497 801 HB3 LEU 105 HB1 LEU 105 -1.955 -1.612 -5.590 802 HD11 LEU 105 HD11 LEU 105 -1.241 -0.556 -3.663 803 HD12 LEU 105 HD12 LEU 105 -2.620 0.496 -3.389 804 HD13 LEU 105 HD13 LEU 105 -1.007 1.186 -3.571 805 HD21 LEU 105 HD21 LEU 105 -0.043 1.560 -5.603 806 HD22 LEU 105 HD22 LEU 105 -0.799 1.097 -7.127 807 HD23 LEU 105 HD23 LEU 105 0.012 -0.121 -6.140 808 H VAL 106 HN VAL 106 -1.687 -3.187 -7.527 809 HA VAL 106 HA VAL 106 0.996 -2.686 -8.043 810 HB VAL 106 HB VAL 106 -0.592 -5.088 -8.967 811 HG11 VAL 106 HG11 VAL 106 1.586 -4.923 -10.043 812 HG12 VAL 106 HG12 VAL 106 1.556 -6.260 -8.894 813 HG13 VAL 106 HG13 VAL 106 2.364 -4.750 -8.469 814 HG21 VAL 106 HG21 VAL 106 0.187 -6.128 -6.864 815 HG22 VAL 106 HG22 VAL 106 -0.889 -4.758 -6.593 816 HG23 VAL 106 HG23 VAL 106 0.851 -4.570 -6.369 817 H ALA 107 HN ALA 107 -1.743 -2.967 -10.212 818 HA ALA 107 HA ALA 107 -0.173 -2.869 -12.612 819 HB1 ALA 107 HB1 ALA 107 -2.316 -2.664 -13.762 820 HB2 ALA 107 HB2 ALA 107 -3.132 -2.416 -12.217 821 HB3 ALA 107 HB3 ALA 107 -2.364 -3.965 -12.573 822 H GLU 108 HN GLU 108 -1.765 -0.596 -10.500 823 HA GLU 108 HA GLU 108 -1.825 1.643 -12.184 824 HB2 GLU 108 HB2 GLU 108 -1.586 1.422 -9.182 825 HB3 GLU 108 HB1 GLU 108 -1.763 2.953 -10.023 826 HG2 GLU 108 HG2 GLU 108 -3.745 0.850 -10.636 827 HG3 GLU 108 HG1 GLU 108 -3.842 1.629 -9.057 828 H SER 109 HN SER 109 0.463 1.043 -9.519 829 HA SER 109 HA SER 109 2.316 2.993 -10.256 830 HG SER 109 HG SER 109 4.631 0.753 -8.472 831 HB2 SER 109 HB2 SER 109 2.486 2.138 -8.064 832 HB3 SER 109 HB1 SER 109 2.559 0.470 -8.626 Start of MODEL 16 1 HA SER 1 HA SER 1 5.232 -8.587 8.314 2 HG SER 1 HG SER 1 7.783 -8.269 10.339 3 H1 SER 1 HT1 SER 1 5.662 -11.485 8.744 4 H2 SER 1 HT2 SER 1 4.172 -10.733 8.475 5 H3 SER 1 HT3 SER 1 5.046 -10.394 9.882 6 HB2 SER 1 HB2 SER 1 7.788 -10.183 8.642 7 HB3 SER 1 HB1 SER 1 7.702 -8.469 8.237 8 H MET 2 HN MET 2 6.197 -7.816 6.305 9 HA MET 2 HA MET 2 5.650 -9.662 4.135 10 HB2 MET 2 HB2 MET 2 6.001 -6.712 4.363 11 HB3 MET 2 HB1 MET 2 6.210 -7.476 2.795 12 HG2 MET 2 HG2 MET 2 3.756 -7.416 4.513 13 HG3 MET 2 HG1 MET 2 3.988 -6.705 2.920 14 HE1 MET 2 HE1 MET 2 2.222 -9.651 4.646 15 HE2 MET 2 HE2 MET 2 3.934 -9.890 4.981 16 HE3 MET 2 HE3 MET 2 3.068 -11.043 3.968 17 H THR 3 HN THR 3 8.221 -9.571 5.898 18 HA THR 3 HA THR 3 10.315 -8.910 4.065 19 HB THR 3 HB THR 3 11.818 -9.960 5.724 20 HG1 THR 3 HG1 THR 3 10.947 -11.430 6.966 21 HG21 THR 3 HG21 THR 3 9.744 -8.101 6.893 22 HG22 THR 3 HG22 THR 3 11.194 -7.625 6.010 23 HG23 THR 3 HG23 THR 3 11.337 -8.413 7.581 24 H ASP 4 HN ASP 4 8.501 -11.790 4.814 25 HA ASP 4 HA ASP 4 10.363 -13.526 3.426 26 HB2 ASP 4 HB2 ASP 4 9.246 -14.430 5.371 27 HB3 ASP 4 HB1 ASP 4 7.666 -14.062 4.685 28 H LEU 5 HN LEU 5 7.577 -11.658 2.668 29 HA LEU 5 HA LEU 5 7.231 -13.118 0.141 30 HG LEU 5 HG LEU 5 5.216 -14.165 1.174 31 HB2 LEU 5 HB2 LEU 5 5.379 -11.173 1.519 32 HB3 LEU 5 HB1 LEU 5 5.067 -11.937 -0.027 33 HD11 LEU 5 HD11 LEU 5 4.678 -13.992 3.635 34 HD12 LEU 5 HD12 LEU 5 5.206 -12.312 3.540 35 HD13 LEU 5 HD13 LEU 5 6.335 -13.616 3.175 36 HD21 LEU 5 HD21 LEU 5 3.112 -13.030 0.484 37 HD22 LEU 5 HD22 LEU 5 3.015 -12.333 2.100 38 HD23 LEU 5 HD23 LEU 5 2.941 -14.081 1.888 39 H LEU 6 HN LEU 6 6.764 -9.735 1.169 40 HA LEU 6 HA LEU 6 7.552 -8.752 -1.405 41 HG LEU 6 HG LEU 6 5.083 -8.222 0.830 42 HB2 LEU 6 HB2 LEU 6 7.210 -7.203 1.164 43 HB3 LEU 6 HB1 LEU 6 7.222 -6.546 -0.460 44 HD11 LEU 6 HD11 LEU 6 3.674 -6.306 0.207 45 HD12 LEU 6 HD12 LEU 6 5.114 -5.477 -0.376 46 HD13 LEU 6 HD13 LEU 6 4.964 -5.878 1.331 47 HD21 LEU 6 HD21 LEU 6 5.609 -8.956 -1.523 48 HD22 LEU 6 HD22 LEU 6 5.142 -7.338 -2.047 49 HD23 LEU 6 HD23 LEU 6 3.964 -8.385 -1.258 50 H SER 7 HN SER 7 9.366 -7.370 -1.830 51 HA SER 7 HA SER 7 11.810 -8.337 -0.978 52 HG SER 7 HG SER 7 10.517 -5.065 -1.459 53 HB2 SER 7 HB2 SER 7 12.666 -6.025 -1.784 54 HB3 SER 7 HB1 SER 7 11.855 -7.069 -2.950 55 H ALA 8 HN ALA 8 12.537 -8.368 1.068 56 HA ALA 8 HA ALA 8 11.606 -6.613 3.087 57 HB1 ALA 8 HB1 ALA 8 14.013 -8.427 3.143 58 HB2 ALA 8 HB2 ALA 8 12.361 -8.903 3.538 59 HB3 ALA 8 HB3 ALA 8 13.201 -7.718 4.539 60 H GLU 9 HN GLU 9 14.646 -6.755 1.264 61 HA GLU 9 HA GLU 9 15.864 -4.631 2.705 62 HB2 GLU 9 HB2 GLU 9 17.468 -4.602 0.731 63 HB3 GLU 9 HB1 GLU 9 17.360 -6.099 1.641 64 HG2 GLU 9 HG2 GLU 9 15.609 -5.827 -0.727 65 HG3 GLU 9 HG1 GLU 9 17.336 -6.009 -1.013 66 H ASP 10 HN ASP 10 13.950 -4.773 -0.244 67 HA ASP 10 HA ASP 10 14.460 -2.112 -1.099 68 HB2 ASP 10 HB2 ASP 10 12.100 -3.897 -1.644 69 HB3 ASP 10 HB1 ASP 10 12.526 -2.456 -2.566 70 H ILE 11 HN ILE 11 11.668 -3.590 0.513 71 HA ILE 11 HA ILE 11 10.103 -1.312 0.840 72 HB ILE 11 HB ILE 11 10.349 -3.686 2.682 73 HG12 ILE 11 HG12 ILE 11 8.219 -3.338 0.616 74 HG13 ILE 11 HG11 ILE 11 9.775 -4.018 0.167 75 HG21 ILE 11 HG21 ILE 11 8.134 -3.131 3.469 76 HG22 ILE 11 HG22 ILE 11 8.029 -1.786 2.329 77 HG23 ILE 11 HG23 ILE 11 9.184 -1.726 3.667 78 HD11 ILE 11 HD11 ILE 11 9.036 -5.994 0.828 79 HD12 ILE 11 HD12 ILE 11 7.533 -5.271 1.399 80 HD13 ILE 11 HD13 ILE 11 8.926 -5.376 2.476 81 H LYS 12 HN LYS 12 12.508 -2.721 3.069 82 HA LYS 12 HA LYS 12 12.224 -0.868 5.130 83 HB2 LYS 12 HB2 LYS 12 13.583 -3.051 5.065 84 HB3 LYS 12 HB1 LYS 12 14.869 -2.087 4.355 85 HG2 LYS 12 HG2 LYS 12 13.592 -1.434 6.995 86 HG3 LYS 12 HG1 LYS 12 15.022 -2.454 6.829 87 HD2 LYS 12 HD2 LYS 12 16.135 -0.562 5.635 88 HD3 LYS 12 HD1 LYS 12 14.740 0.439 6.034 89 HE2 LYS 12 HE2 LYS 12 15.143 0.062 8.414 90 HE3 LYS 12 HE1 LYS 12 16.533 -0.947 8.019 91 HZ1 LYS 12 HZ1 LYS 12 17.210 1.288 8.617 92 HZ2 LYS 12 HZ2 LYS 12 16.254 1.941 7.383 93 HZ3 LYS 12 HZ3 LYS 12 17.588 0.975 6.997 94 H LYS 13 HN LYS 13 14.494 -0.823 2.379 95 HA LYS 13 HA LYS 13 15.679 1.665 3.034 96 HB2 LYS 13 HB2 LYS 13 15.472 0.350 0.322 97 HB3 LYS 13 HB1 LYS 13 16.630 1.585 0.799 98 HG2 LYS 13 HG2 LYS 13 17.895 0.122 2.030 99 HG3 LYS 13 HG1 LYS 13 16.549 -0.984 2.305 100 HD2 LYS 13 HD2 LYS 13 16.619 -1.586 -0.111 101 HD3 LYS 13 HD1 LYS 13 18.048 -0.562 -0.281 102 HE2 LYS 13 HE2 LYS 13 17.842 -2.911 1.596 103 HE3 LYS 13 HE1 LYS 13 18.579 -2.972 -0.007 104 HZ1 LYS 13 HZ1 LYS 13 19.477 -1.288 2.272 105 HZ2 LYS 13 HZ2 LYS 13 20.166 -1.282 0.726 106 HZ3 LYS 13 HZ3 LYS 13 20.254 -2.672 1.686 107 H ALA 14 HN ALA 14 13.224 0.784 0.627 108 HA ALA 14 HA ALA 14 12.814 3.359 -0.398 109 HB1 ALA 14 HB1 ALA 14 10.719 1.207 -0.306 110 HB2 ALA 14 HB2 ALA 14 12.105 1.145 -1.396 111 HB3 ALA 14 HB3 ALA 14 10.942 2.468 -1.519 112 H ILE 15 HN ILE 15 11.326 1.669 2.309 113 HA ILE 15 HA ILE 15 9.272 3.558 2.729 114 HB ILE 15 HB ILE 15 10.363 1.325 4.373 115 HG12 ILE 15 HG12 ILE 15 7.865 2.062 2.912 116 HG13 ILE 15 HG11 ILE 15 9.013 0.812 2.478 117 HG21 ILE 15 HG21 ILE 15 8.705 1.707 6.065 118 HG22 ILE 15 HG22 ILE 15 8.056 3.087 5.189 119 HG23 ILE 15 HG23 ILE 15 9.656 3.185 5.927 120 HD11 ILE 15 HD11 ILE 15 7.225 -0.367 3.355 121 HD12 ILE 15 HD12 ILE 15 6.925 0.860 4.581 122 HD13 ILE 15 HD13 ILE 15 8.304 -0.230 4.748 123 H GLY 16 HN GLY 16 12.535 3.201 4.003 124 HA2 GLY 16 HA2 GLY 16 12.172 5.553 5.712 125 HA3 GLY 16 HA1 GLY 16 13.558 4.476 5.720 126 H ALA 17 HN ALA 17 13.152 4.950 2.555 127 HA ALA 17 HA ALA 17 15.132 7.098 2.502 128 HB1 ALA 17 HB1 ALA 17 15.613 6.377 0.252 129 HB2 ALA 17 HB2 ALA 17 14.217 5.296 0.266 130 HB3 ALA 17 HB3 ALA 17 15.595 4.977 1.325 131 H PHE 18 HN PHE 18 11.793 6.698 1.972 132 HA PHE 18 HA PHE 18 11.714 8.999 0.145 133 HD1 PHE 18 HD2 PHE 18 12.552 7.603 -1.099 134 HD2 PHE 18 HD1 PHE 18 8.866 5.494 -0.999 135 HE1 PHE 18 HE2 PHE 18 13.409 6.034 -2.790 136 HE2 PHE 18 HE1 PHE 18 9.697 3.934 -2.689 137 HZ PHE 18 HZ PHE 18 11.983 4.191 -3.585 138 HB2 PHE 18 HB2 PHE 18 9.530 7.025 0.802 139 HB3 PHE 18 HB1 PHE 18 9.452 8.296 -0.407 140 H THR 19 HN THR 19 11.755 10.786 1.422 141 HA THR 19 HA THR 19 9.967 10.949 3.721 142 HB THR 19 HB THR 19 11.932 12.989 2.651 143 HG1 THR 19 HG1 THR 19 13.380 12.024 3.882 144 HG21 THR 19 HG21 THR 19 10.155 14.029 3.954 145 HG22 THR 19 HG22 THR 19 11.670 14.049 4.859 146 HG23 THR 19 HG23 THR 19 10.417 12.876 5.262 147 H ALA 20 HN ALA 20 10.571 12.683 0.686 148 HA ALA 20 HA ALA 20 7.987 14.033 0.891 149 HB1 ALA 20 HB1 ALA 20 10.284 14.579 -0.982 150 HB2 ALA 20 HB2 ALA 20 9.940 15.452 0.513 151 HB3 ALA 20 HB3 ALA 20 8.806 15.532 -0.836 152 H ALA 21 HN ALA 21 9.947 12.401 -1.613 153 HA ALA 21 HA ALA 21 8.229 12.236 -3.688 154 HB1 ALA 21 HB1 ALA 21 9.319 10.198 -4.377 155 HB2 ALA 21 HB2 ALA 21 9.897 9.918 -2.735 156 HB3 ALA 21 HB3 ALA 21 10.504 11.291 -3.661 157 H ASP 22 HN ASP 22 8.438 9.582 -1.366 158 HA ASP 22 HA ASP 22 6.014 8.375 -2.158 159 HB2 ASP 22 HB2 ASP 22 7.686 7.040 -1.054 160 HB3 ASP 22 HB1 ASP 22 7.666 8.090 0.360 161 H SER 23 HN SER 23 6.703 11.058 -0.147 162 HA SER 23 HA SER 23 4.577 10.988 1.657 163 HG SER 23 HG SER 23 5.918 12.994 3.200 164 HB2 SER 23 HB2 SER 23 6.699 12.619 1.278 165 HB3 SER 23 HB1 SER 23 5.423 13.619 0.589 166 H PHE 24 HN PHE 24 4.828 12.448 -1.574 167 HA PHE 24 HA PHE 24 1.989 13.114 -1.497 168 HD1 PHE 24 HD1 PHE 24 3.480 12.675 -5.225 169 HD2 PHE 24 HD2 PHE 24 5.764 14.975 -2.469 170 HE1 PHE 24 HE1 PHE 24 5.493 12.306 -6.591 171 HE2 PHE 24 HE2 PHE 24 7.782 14.610 -3.830 172 HZ PHE 24 HZ PHE 24 7.646 13.274 -5.894 173 HB2 PHE 24 HB2 PHE 24 2.454 14.363 -3.583 174 HB3 PHE 24 HB1 PHE 24 3.459 14.881 -2.234 175 H ASP 25 HN ASP 25 4.076 10.714 -2.881 176 HA ASP 25 HA ASP 25 1.767 9.535 -4.188 177 HB2 ASP 25 HB2 ASP 25 2.617 11.001 -5.931 178 HB3 ASP 25 HB1 ASP 25 4.229 10.312 -5.757 179 H HIS 26 HN HIS 26 1.894 7.696 -2.988 180 HA HIS 26 HA HIS 26 4.331 6.272 -2.553 181 HD1 HIS 26 HD1 HIS 26 4.198 3.471 -2.827 182 HD2 HIS 26 HD2 HIS 26 0.895 3.467 -0.312 183 HE1 HIS 26 HE1 HIS 26 3.849 1.072 -2.182 184 HE2 HIS 26 HE2 HIS 26 1.804 1.085 -0.717 185 HB2 HIS 26 HB2 HIS 26 2.766 5.923 -0.885 186 HB3 HIS 26 HB1 HIS 26 1.423 5.761 -1.997 187 H LYS 27 HN LYS 27 2.079 6.411 -5.174 188 HA LYS 27 HA LYS 27 2.110 3.960 -6.300 189 HB2 LYS 27 HB2 LYS 27 2.416 6.634 -7.623 190 HB3 LYS 27 HB1 LYS 27 2.143 5.167 -8.515 191 HG2 LYS 27 HG2 LYS 27 0.295 6.349 -6.465 192 HG3 LYS 27 HG1 LYS 27 0.090 6.421 -8.219 193 HD2 LYS 27 HD2 LYS 27 0.224 3.919 -6.583 194 HD3 LYS 27 HD1 LYS 27 -1.261 4.642 -7.208 195 HE2 LYS 27 HE2 LYS 27 1.050 3.535 -8.796 196 HE3 LYS 27 HE1 LYS 27 -0.569 2.851 -8.668 197 HZ1 LYS 27 HZ1 LYS 27 -0.319 4.042 -10.737 198 HZ2 LYS 27 HZ2 LYS 27 0.141 5.450 -9.920 199 HZ3 LYS 27 HZ3 LYS 27 -1.433 4.853 -9.753 200 H LYS 28 HN LYS 28 4.652 6.428 -6.697 201 HA LYS 28 HA LYS 28 6.396 4.824 -8.204 202 HB2 LYS 28 HB2 LYS 28 7.091 7.025 -6.236 203 HB3 LYS 28 HB1 LYS 28 8.164 6.384 -7.474 204 HG2 LYS 28 HG2 LYS 28 5.625 7.324 -8.544 205 HG3 LYS 28 HG1 LYS 28 6.546 8.583 -7.719 206 HD2 LYS 28 HD2 LYS 28 7.083 8.458 -10.117 207 HD3 LYS 28 HD1 LYS 28 8.484 8.110 -9.103 208 HE2 LYS 28 HE2 LYS 28 8.106 5.706 -9.434 209 HE3 LYS 28 HE1 LYS 28 6.732 6.073 -10.476 210 HZ1 LYS 28 HZ1 LYS 28 8.226 7.206 -11.995 211 HZ2 LYS 28 HZ2 LYS 28 8.727 5.607 -11.761 212 HZ3 LYS 28 HZ3 LYS 28 9.547 6.871 -10.992 213 H PHE 29 HN PHE 29 6.114 5.427 -4.740 214 HA PHE 29 HA PHE 29 8.167 3.781 -3.840 215 HD1 PHE 29 HD2 PHE 29 8.591 2.713 -1.698 216 HD2 PHE 29 HD1 PHE 29 4.710 4.072 -0.625 217 HE1 PHE 29 HE2 PHE 29 8.598 1.209 0.248 218 HE2 PHE 29 HE1 PHE 29 4.706 2.568 1.310 219 HZ PHE 29 HZ PHE 29 6.650 1.132 1.748 220 HB2 PHE 29 HB2 PHE 29 7.268 5.250 -2.260 221 HB3 PHE 29 HB1 PHE 29 5.608 4.784 -2.604 222 H PHE 30 HN PHE 30 4.987 3.028 -5.010 223 HA PHE 30 HA PHE 30 4.690 0.414 -4.020 224 HD1 PHE 30 HD1 PHE 30 2.796 -1.471 -6.248 225 HD2 PHE 30 HD2 PHE 30 1.783 1.852 -3.793 226 HE1 PHE 30 HE1 PHE 30 0.994 -2.781 -5.225 227 HE2 PHE 30 HE2 PHE 30 -0.035 0.546 -2.769 228 HZ PHE 30 HZ PHE 30 -0.429 -1.778 -3.485 229 HB2 PHE 30 HB2 PHE 30 3.244 2.109 -5.695 230 HB3 PHE 30 HB1 PHE 30 3.662 0.738 -6.717 231 H GLN 31 HN GLN 31 6.493 1.764 -6.660 232 HA GLN 31 HA GLN 31 7.176 -0.798 -7.806 233 HB2 GLN 31 HB2 GLN 31 8.372 1.868 -8.483 234 HB3 GLN 31 HB1 GLN 31 8.301 0.434 -9.495 235 HG2 GLN 31 HG2 GLN 31 5.827 0.681 -9.544 236 HG3 GLN 31 HG1 GLN 31 6.010 2.198 -8.669 237 HE21 GLN 31 HE21 GLN 31 5.094 3.369 -10.348 238 HE22 GLN 31 HE22 GLN 31 5.943 3.687 -11.818 239 H MET 32 HN MET 32 8.743 1.725 -5.913 240 HA MET 32 HA MET 32 11.324 0.519 -5.912 241 HB2 MET 32 HB2 MET 32 10.516 2.321 -3.700 242 HB3 MET 32 HB1 MET 32 12.016 2.266 -4.614 243 HG2 MET 32 HG2 MET 32 9.407 3.514 -5.358 244 HG3 MET 32 HG1 MET 32 10.995 4.252 -5.225 245 HE1 MET 32 HE1 MET 32 12.842 2.175 -6.728 246 HE2 MET 32 HE2 MET 32 12.964 3.915 -6.987 247 HE3 MET 32 HE3 MET 32 12.845 2.825 -8.368 248 H VAL 33 HN VAL 33 8.517 0.378 -3.868 249 HA VAL 33 HA VAL 33 9.660 -0.877 -1.617 250 HB VAL 33 HB VAL 33 7.467 0.300 -1.683 251 HG11 VAL 33 HG11 VAL 33 6.223 -2.192 -2.701 252 HG12 VAL 33 HG12 VAL 33 6.827 -0.981 -3.830 253 HG13 VAL 33 HG13 VAL 33 5.582 -0.553 -2.658 254 HG21 VAL 33 HG21 VAL 33 7.103 -2.489 -0.681 255 HG22 VAL 33 HG22 VAL 33 6.448 -0.990 -0.032 256 HG23 VAL 33 HG23 VAL 33 8.172 -1.331 0.115 257 H GLY 34 HN GLY 34 8.759 -2.065 -4.695 258 HA2 GLY 34 HA2 GLY 34 9.153 -4.164 -5.598 259 HA3 GLY 34 HA1 GLY 34 9.673 -4.709 -4.010 260 H LEU 35 HN LEU 35 6.629 -3.104 -4.315 261 HA LEU 35 HA LEU 35 5.207 -5.299 -3.213 262 HG LEU 35 HG LEU 35 4.069 -4.278 -1.770 263 HB2 LEU 35 HB2 LEU 35 4.647 -2.551 -3.956 264 HB3 LEU 35 HB1 LEU 35 3.342 -3.609 -4.450 265 HD11 LEU 35 HD11 LEU 35 3.845 -1.357 -2.358 266 HD12 LEU 35 HD12 LEU 35 4.937 -2.199 -1.256 267 HD13 LEU 35 HD13 LEU 35 3.236 -2.010 -0.838 268 HD21 LEU 35 HD21 LEU 35 1.813 -4.227 -1.455 269 HD22 LEU 35 HD22 LEU 35 1.862 -4.325 -3.216 270 HD23 LEU 35 HD23 LEU 35 1.600 -2.771 -2.429 271 H LYS 36 HN LYS 36 5.834 -4.087 -6.411 272 HA LYS 36 HA LYS 36 3.994 -5.865 -7.726 273 HB2 LYS 36 HB2 LYS 36 6.226 -4.135 -8.797 274 HB3 LYS 36 HB1 LYS 36 5.051 -4.986 -9.791 275 HG2 LYS 36 HG2 LYS 36 3.546 -3.362 -9.546 276 HG3 LYS 36 HG1 LYS 36 3.782 -3.302 -7.797 277 HD2 LYS 36 HD2 LYS 36 4.373 -1.159 -8.942 278 HD3 LYS 36 HD1 LYS 36 5.705 -1.893 -8.056 279 HE2 LYS 36 HE2 LYS 36 6.324 -1.015 -10.285 280 HE3 LYS 36 HE1 LYS 36 6.677 -2.727 -10.073 281 HZ1 LYS 36 HZ1 LYS 36 4.323 -1.596 -11.491 282 HZ2 LYS 36 HZ2 LYS 36 4.641 -3.243 -11.282 283 HZ3 LYS 36 HZ3 LYS 36 5.678 -2.296 -12.225 284 H LYS 37 HN LYS 37 7.114 -6.147 -6.389 285 HA LYS 37 HA LYS 37 8.623 -7.687 -8.013 286 HB2 LYS 37 HB2 LYS 37 9.289 -7.009 -5.761 287 HB3 LYS 37 HB1 LYS 37 8.156 -8.151 -5.057 288 HG2 LYS 37 HG2 LYS 37 10.009 -9.390 -6.931 289 HG3 LYS 37 HG1 LYS 37 10.805 -8.622 -5.557 290 HD2 LYS 37 HD2 LYS 37 9.340 -9.873 -4.029 291 HD3 LYS 37 HD1 LYS 37 8.580 -10.660 -5.413 292 HE2 LYS 37 HE2 LYS 37 11.483 -10.854 -4.620 293 HE3 LYS 37 HE1 LYS 37 10.259 -12.105 -4.400 294 HZ1 LYS 37 HZ1 LYS 37 11.586 -12.557 -6.346 295 HZ2 LYS 37 HZ2 LYS 37 11.225 -11.040 -7.000 296 HZ3 LYS 37 HZ3 LYS 37 10.001 -12.193 -6.818 297 H LYS 38 HN LYS 38 5.705 -8.710 -6.352 298 HA LYS 38 HA LYS 38 5.746 -11.157 -7.952 299 HB2 LYS 38 HB2 LYS 38 5.916 -11.017 -5.035 300 HB3 LYS 38 HB1 LYS 38 4.606 -12.040 -5.609 301 HG2 LYS 38 HG2 LYS 38 6.215 -13.293 -6.983 302 HG3 LYS 38 HG1 LYS 38 7.518 -12.294 -6.337 303 HD2 LYS 38 HD2 LYS 38 5.671 -13.945 -4.622 304 HD3 LYS 38 HD1 LYS 38 7.226 -14.527 -5.221 305 HE2 LYS 38 HE2 LYS 38 8.372 -12.727 -4.064 306 HE3 LYS 38 HE1 LYS 38 6.832 -12.067 -3.519 307 HZ1 LYS 38 HZ1 LYS 38 6.451 -14.086 -2.250 308 HZ2 LYS 38 HZ2 LYS 38 7.911 -13.367 -1.787 309 HZ3 LYS 38 HZ3 LYS 38 7.920 -14.734 -2.784 310 H SER 39 HN SER 39 3.502 -12.358 -7.398 311 HA SER 39 HA SER 39 1.511 -10.799 -8.568 312 HG SER 39 HG SER 39 1.739 -12.852 -9.583 313 HB2 SER 39 HB2 SER 39 1.188 -13.275 -6.854 314 HB3 SER 39 HB1 SER 39 -0.042 -12.609 -7.929 315 H ALA 40 HN ALA 40 -0.658 -10.327 -7.594 316 HA ALA 40 HA ALA 40 -0.392 -8.518 -5.456 317 HB1 ALA 40 HB1 ALA 40 -2.993 -8.720 -5.518 318 HB2 ALA 40 HB2 ALA 40 -2.686 -9.680 -6.968 319 HB3 ALA 40 HB3 ALA 40 -2.129 -8.009 -6.882 320 H ASP 41 HN ASP 41 -0.838 -11.919 -5.498 321 HA ASP 41 HA ASP 41 -2.286 -12.306 -3.128 322 HB2 ASP 41 HB2 ASP 41 -0.171 -14.079 -4.370 323 HB3 ASP 41 HB1 ASP 41 -1.340 -14.578 -3.150 324 H ASP 42 HN ASP 42 1.224 -12.170 -3.699 325 HA ASP 42 HA ASP 42 2.010 -12.643 -1.052 326 HB2 ASP 42 HB2 ASP 42 3.416 -11.071 -3.220 327 HB3 ASP 42 HB1 ASP 42 4.165 -11.607 -1.719 328 H VAL 43 HN VAL 43 1.648 -9.547 -2.781 329 HA VAL 43 HA VAL 43 2.232 -7.866 -0.621 330 HB VAL 43 HB VAL 43 0.976 -6.124 -1.858 331 HG11 VAL 43 HG11 VAL 43 2.844 -7.843 -3.479 332 HG12 VAL 43 HG12 VAL 43 3.268 -6.461 -2.467 333 HG13 VAL 43 HG13 VAL 43 2.335 -6.220 -3.943 334 HG21 VAL 43 HG21 VAL 43 0.230 -8.439 -3.629 335 HG22 VAL 43 HG22 VAL 43 0.047 -6.747 -4.090 336 HG23 VAL 43 HG23 VAL 43 -0.859 -7.391 -2.719 337 H LYS 44 HN LYS 44 -0.767 -9.357 -1.659 338 HA LYS 44 HA LYS 44 -2.610 -8.016 -0.118 339 HB2 LYS 44 HB2 LYS 44 -2.529 -10.460 -1.591 340 HB3 LYS 44 HB1 LYS 44 -3.314 -10.766 -0.048 341 HG2 LYS 44 HG2 LYS 44 -4.833 -8.864 -0.499 342 HG3 LYS 44 HG1 LYS 44 -4.103 -8.705 -2.092 343 HD2 LYS 44 HD2 LYS 44 -6.242 -9.983 -2.058 344 HD3 LYS 44 HD1 LYS 44 -4.875 -10.867 -2.726 345 HE2 LYS 44 HE2 LYS 44 -5.375 -11.170 0.175 346 HE3 LYS 44 HE1 LYS 44 -6.543 -11.914 -0.918 347 HZ1 LYS 44 HZ1 LYS 44 -4.690 -13.394 -0.256 348 HZ2 LYS 44 HZ2 LYS 44 -3.612 -12.373 -1.065 349 HZ3 LYS 44 HZ3 LYS 44 -4.815 -13.186 -1.929 350 H LYS 45 HN LYS 45 -0.171 -10.261 0.909 351 HA LYS 45 HA LYS 45 -1.384 -11.157 3.294 352 HB2 LYS 45 HB2 LYS 45 1.414 -11.069 2.256 353 HB3 LYS 45 HB1 LYS 45 1.162 -11.375 3.969 354 HG2 LYS 45 HG2 LYS 45 1.346 -13.467 2.808 355 HG3 LYS 45 HG1 LYS 45 -0.307 -13.266 3.387 356 HD2 LYS 45 HD2 LYS 45 -0.940 -12.451 1.124 357 HD3 LYS 45 HD1 LYS 45 0.696 -12.830 0.576 358 HE2 LYS 45 HE2 LYS 45 0.369 -15.168 1.097 359 HE3 LYS 45 HE1 LYS 45 -1.219 -14.825 1.782 360 HZ1 LYS 45 HZ1 LYS 45 -1.382 -15.710 -0.462 361 HZ2 LYS 45 HZ2 LYS 45 -0.446 -14.434 -1.060 362 HZ3 LYS 45 HZ3 LYS 45 -1.974 -14.125 -0.400 363 H VAL 46 HN VAL 46 0.842 -8.491 2.578 364 HA VAL 46 HA VAL 46 1.102 -7.482 5.150 365 HB VAL 46 HB VAL 46 2.140 -6.744 2.817 366 HG11 VAL 46 HG11 VAL 46 1.362 -4.602 2.027 367 HG12 VAL 46 HG12 VAL 46 0.094 -4.577 3.254 368 HG13 VAL 46 HG13 VAL 46 0.039 -5.766 1.957 369 HG21 VAL 46 HG21 VAL 46 3.278 -5.094 3.951 370 HG22 VAL 46 HG22 VAL 46 2.632 -6.052 5.285 371 HG23 VAL 46 HG23 VAL 46 1.840 -4.549 4.814 372 H PHE 47 HN PHE 47 -1.464 -7.267 2.829 373 HA PHE 47 HA PHE 47 -2.994 -5.226 3.897 374 HD1 PHE 47 HD2 PHE 47 -3.462 -4.095 1.883 375 HD2 PHE 47 HD1 PHE 47 -6.566 -6.933 2.511 376 HE1 PHE 47 HE2 PHE 47 -5.131 -2.400 1.263 377 HE2 PHE 47 HE1 PHE 47 -8.243 -5.244 1.894 378 HZ PHE 47 HZ PHE 47 -7.524 -2.975 1.264 379 HB2 PHE 47 HB2 PHE 47 -3.226 -6.788 1.769 380 HB3 PHE 47 HB1 PHE 47 -4.395 -7.586 2.813 381 H HIS 48 HN HIS 48 -2.821 -8.648 4.621 382 HA HIS 48 HA HIS 48 -4.882 -8.604 6.603 383 HD1 HIS 48 HD1 HIS 48 -6.266 -11.572 6.741 384 HD2 HIS 48 HD2 HIS 48 -2.674 -11.384 8.820 385 HE1 HIS 48 HE1 HIS 48 -6.654 -12.855 8.869 386 HE2 HIS 48 HE2 HIS 48 -4.433 -12.821 10.056 387 HB2 HIS 48 HB2 HIS 48 -4.349 -10.658 5.349 388 HB3 HIS 48 HB1 HIS 48 -2.739 -10.676 6.062 389 H ILE 49 HN ILE 49 -1.364 -8.464 6.554 390 HA ILE 49 HA ILE 49 -0.730 -8.697 9.230 391 HB ILE 49 HB ILE 49 0.452 -6.705 7.277 392 HG12 ILE 49 HG12 ILE 49 0.522 -9.041 6.459 393 HG13 ILE 49 HG11 ILE 49 2.125 -8.398 6.785 394 HG21 ILE 49 HG21 ILE 49 1.585 -7.858 9.824 395 HG22 ILE 49 HG22 ILE 49 1.067 -6.192 9.566 396 HG23 ILE 49 HG23 ILE 49 2.460 -6.830 8.689 397 HD11 ILE 49 HD11 ILE 49 2.155 -9.597 8.915 398 HD12 ILE 49 HD12 ILE 49 1.952 -10.675 7.535 399 HD13 ILE 49 HD13 ILE 49 0.566 -10.268 8.545 400 H LEU 50 HN LEU 50 -1.637 -5.800 7.430 401 HA LEU 50 HA LEU 50 -1.837 -4.183 9.788 402 HG LEU 50 HG LEU 50 -2.843 -4.647 6.285 403 HB2 LEU 50 HB2 LEU 50 -2.400 -2.430 8.226 404 HB3 LEU 50 HB1 LEU 50 -1.009 -3.324 7.667 405 HD11 LEU 50 HD11 LEU 50 -4.716 -3.441 5.651 406 HD12 LEU 50 HD12 LEU 50 -4.066 -1.917 6.246 407 HD13 LEU 50 HD13 LEU 50 -4.629 -3.139 7.384 408 HD21 LEU 50 HD21 LEU 50 -1.752 -1.939 5.530 409 HD22 LEU 50 HD22 LEU 50 -2.381 -3.144 4.404 410 HD23 LEU 50 HD23 LEU 50 -0.928 -3.488 5.344 411 H ASP 51 HN ASP 51 -4.090 -5.644 7.457 412 HA ASP 51 HA ASP 51 -6.297 -4.955 9.295 413 HB2 ASP 51 HB2 ASP 51 -6.011 -4.666 6.400 414 HB3 ASP 51 HB1 ASP 51 -7.494 -5.479 6.883 415 H LYS 52 HN LYS 52 -6.445 -6.851 10.465 416 HA LYS 52 HA LYS 52 -6.042 -9.432 9.472 417 HB2 LYS 52 HB2 LYS 52 -7.006 -10.236 11.510 418 HB3 LYS 52 HB1 LYS 52 -6.067 -8.797 11.878 419 HG2 LYS 52 HG2 LYS 52 -8.134 -7.477 11.927 420 HG3 LYS 52 HG1 LYS 52 -9.058 -8.943 11.603 421 HD2 LYS 52 HD2 LYS 52 -9.066 -8.400 13.984 422 HD3 LYS 52 HD1 LYS 52 -8.242 -9.930 13.678 423 HE2 LYS 52 HE2 LYS 52 -6.082 -8.802 13.821 424 HE3 LYS 52 HE1 LYS 52 -6.896 -7.264 14.098 425 HZ1 LYS 52 HZ1 LYS 52 -6.133 -8.226 16.169 426 HZ2 LYS 52 HZ2 LYS 52 -7.015 -9.639 15.878 427 HZ3 LYS 52 HZ3 LYS 52 -7.825 -8.178 16.143 428 H ASP 53 HN ASP 53 -9.103 -7.682 9.991 429 HA ASP 53 HA ASP 53 -10.485 -9.726 8.401 430 HB2 ASP 53 HB2 ASP 53 -11.461 -9.171 10.592 431 HB3 ASP 53 HB1 ASP 53 -11.615 -7.489 10.091 432 H LYS 54 HN LYS 54 -9.355 -6.479 8.312 433 HA LYS 54 HA LYS 54 -9.429 -4.843 6.730 434 HB2 LYS 54 HB2 LYS 54 -10.359 -6.773 4.667 435 HB3 LYS 54 HB1 LYS 54 -9.157 -5.496 4.556 436 HG2 LYS 54 HG2 LYS 54 -7.496 -6.811 5.531 437 HG3 LYS 54 HG1 LYS 54 -8.663 -7.958 6.190 438 HD2 LYS 54 HD2 LYS 54 -9.123 -8.849 4.040 439 HD3 LYS 54 HD1 LYS 54 -8.254 -7.537 3.244 440 HE2 LYS 54 HE2 LYS 54 -6.159 -8.338 4.241 441 HE3 LYS 54 HE1 LYS 54 -7.037 -9.656 5.015 442 HZ1 LYS 54 HZ1 LYS 54 -6.810 -9.225 2.083 443 HZ2 LYS 54 HZ2 LYS 54 -7.625 -10.504 2.836 444 HZ3 LYS 54 HZ3 LYS 54 -5.945 -10.373 2.978 445 H SER 55 HN SER 55 -12.085 -6.022 8.004 446 HA SER 55 HA SER 55 -14.354 -5.947 7.667 447 HG SER 55 HG SER 55 -13.912 -2.143 6.595 448 HB2 SER 55 HB2 SER 55 -15.124 -3.598 7.493 449 HB3 SER 55 HB1 SER 55 -13.785 -3.768 8.628 450 H GLY 56 HN GLY 56 -12.946 -6.797 5.272 451 HA2 GLY 56 HA2 GLY 56 -13.638 -7.464 3.172 452 HA3 GLY 56 HA1 GLY 56 -15.015 -6.381 3.305 453 H PHE 57 HN PHE 57 -13.025 -4.168 4.013 454 HA PHE 57 HA PHE 57 -11.289 -3.815 1.856 455 HD1 PHE 57 HD1 PHE 57 -13.906 -2.335 3.708 456 HD2 PHE 57 HD2 PHE 57 -15.183 -2.490 -0.321 457 HE1 PHE 57 HE1 PHE 57 -16.241 -2.003 4.456 458 HE2 PHE 57 HE2 PHE 57 -17.519 -2.166 0.389 459 HZ PHE 57 HZ PHE 57 -18.052 -1.921 2.783 460 HB2 PHE 57 HB2 PHE 57 -12.559 -1.637 1.033 461 HB3 PHE 57 HB1 PHE 57 -12.957 -3.221 0.357 462 H ILE 58 HN ILE 58 -10.282 -1.551 1.931 463 HA ILE 58 HA ILE 58 -10.368 -0.591 4.728 464 HB ILE 58 HB ILE 58 -8.163 0.073 2.780 465 HG12 ILE 58 HG12 ILE 58 -8.287 -2.266 4.695 466 HG13 ILE 58 HG11 ILE 58 -8.267 -2.371 2.939 467 HG21 ILE 58 HG21 ILE 58 -6.916 0.382 4.920 468 HG22 ILE 58 HG22 ILE 58 -8.439 0.113 5.775 469 HG23 ILE 58 HG23 ILE 58 -8.267 1.494 4.689 470 HD11 ILE 58 HD11 ILE 58 -6.030 -1.348 2.935 471 HD12 ILE 58 HD12 ILE 58 -6.091 -2.871 3.821 472 HD13 ILE 58 HD13 ILE 58 -6.055 -1.342 4.697 473 H GLU 59 HN GLU 59 -10.593 1.543 5.156 474 HA GLU 59 HA GLU 59 -11.886 3.020 2.992 475 HB2 GLU 59 HB2 GLU 59 -12.104 2.907 5.936 476 HB3 GLU 59 HB1 GLU 59 -12.456 4.456 5.167 477 HG2 GLU 59 HG2 GLU 59 -14.496 3.214 5.470 478 HG3 GLU 59 HG1 GLU 59 -14.129 3.335 3.750 479 H GLU 60 HN GLU 60 -10.912 4.552 2.056 480 HA GLU 60 HA GLU 60 -8.406 5.415 2.173 481 HB2 GLU 60 HB2 GLU 60 -9.198 7.570 1.193 482 HB3 GLU 60 HB1 GLU 60 -9.908 6.140 0.444 483 HG2 GLU 60 HG2 GLU 60 -11.893 7.062 0.813 484 HG3 GLU 60 HG1 GLU 60 -11.605 6.716 2.519 485 H ASP 61 HN ASP 61 -10.945 6.480 4.335 486 HA ASP 61 HA ASP 61 -9.556 8.704 5.406 487 HB2 ASP 61 HB2 ASP 61 -11.786 7.012 6.566 488 HB3 ASP 61 HB1 ASP 61 -11.218 8.523 7.271 489 H GLU 62 HN GLU 62 -10.058 5.402 6.627 490 HA GLU 62 HA GLU 62 -8.132 5.769 8.747 491 HB2 GLU 62 HB2 GLU 62 -10.223 4.337 8.904 492 HB3 GLU 62 HB1 GLU 62 -9.419 3.189 7.842 493 HG2 GLU 62 HG2 GLU 62 -8.234 4.087 10.449 494 HG3 GLU 62 HG1 GLU 62 -9.327 2.709 10.319 495 H LEU 63 HN LEU 63 -8.165 4.686 5.491 496 HA LEU 63 HA LEU 63 -6.152 2.874 5.273 497 HG LEU 63 HG LEU 63 -4.883 3.866 2.370 498 HB2 LEU 63 HB2 LEU 63 -7.655 3.942 3.485 499 HB3 LEU 63 HB1 LEU 63 -6.442 5.206 3.410 500 HD11 LEU 63 HD11 LEU 63 -4.843 1.437 2.411 501 HD12 LEU 63 HD12 LEU 63 -6.336 1.412 3.347 502 HD13 LEU 63 HD13 LEU 63 -4.864 2.078 4.053 503 HD21 LEU 63 HD21 LEU 63 -6.720 4.180 0.864 504 HD22 LEU 63 HD22 LEU 63 -7.569 2.791 1.546 505 HD23 LEU 63 HD23 LEU 63 -6.076 2.553 0.633 506 H GLY 64 HN GLY 64 -5.813 6.381 5.287 507 HA2 GLY 64 HA2 GLY 64 -3.025 6.470 5.027 508 HA3 GLY 64 HA1 GLY 64 -4.015 7.743 5.735 509 H SER 65 HN SER 65 -4.969 5.638 7.738 510 HA SER 65 HA SER 65 -2.842 6.127 9.652 511 HG SER 65 HG SER 65 -4.854 4.406 11.951 512 HB2 SER 65 HB2 SER 65 -5.200 6.472 10.314 513 HB3 SER 65 HB1 SER 65 -5.524 4.766 10.005 514 H ILE 66 HN ILE 66 -4.734 3.315 8.594 515 HA ILE 66 HA ILE 66 -3.111 1.364 9.764 516 HB ILE 66 HB ILE 66 -5.401 0.953 8.925 517 HG12 ILE 66 HG12 ILE 66 -5.007 -1.310 8.188 518 HG13 ILE 66 HG11 ILE 66 -3.371 -0.876 7.710 519 HG21 ILE 66 HG21 ILE 66 -4.114 0.902 6.208 520 HG22 ILE 66 HG22 ILE 66 -5.191 2.166 6.804 521 HG23 ILE 66 HG23 ILE 66 -5.797 0.524 6.578 522 HD11 ILE 66 HD11 ILE 66 -4.398 -0.805 10.529 523 HD12 ILE 66 HD12 ILE 66 -2.738 -0.529 10.002 524 HD13 ILE 66 HD13 ILE 66 -3.464 -2.125 9.825 525 H LEU 67 HN LEU 67 -2.490 3.338 7.032 526 HA LEU 67 HA LEU 67 -1.019 1.763 5.310 527 HG LEU 67 HG LEU 67 -0.928 4.987 3.669 528 HB2 LEU 67 HB2 LEU 67 -1.227 4.567 5.976 529 HB3 LEU 67 HB1 LEU 67 0.434 4.153 5.602 530 HD11 LEU 67 HD11 LEU 67 0.553 2.416 3.725 531 HD12 LEU 67 HD12 LEU 67 0.983 3.948 2.965 532 HD13 LEU 67 HD13 LEU 67 -0.233 2.905 2.225 533 HD21 LEU 67 HD21 LEU 67 -3.023 4.127 3.689 534 HD22 LEU 67 HD22 LEU 67 -2.509 2.590 4.379 535 HD23 LEU 67 HD23 LEU 67 -2.258 2.912 2.665 536 H LYS 68 HN LYS 68 -0.218 2.821 8.519 537 HA LYS 68 HA LYS 68 2.516 2.602 8.584 538 HB2 LYS 68 HB2 LYS 68 0.554 1.706 10.692 539 HB3 LYS 68 HB1 LYS 68 2.265 2.028 10.956 540 HG2 LYS 68 HG2 LYS 68 2.006 4.317 10.693 541 HG3 LYS 68 HG1 LYS 68 0.481 4.141 9.821 542 HD2 LYS 68 HD2 LYS 68 -0.597 3.370 11.879 543 HD3 LYS 68 HD1 LYS 68 0.926 3.571 12.751 544 HE2 LYS 68 HE2 LYS 68 -0.484 5.483 13.160 545 HE3 LYS 68 HE1 LYS 68 0.892 5.974 12.175 546 HZ1 LYS 68 HZ1 LYS 68 -1.848 5.410 11.175 547 HZ2 LYS 68 HZ2 LYS 68 -0.529 5.853 10.213 548 HZ3 LYS 68 HZ3 LYS 68 -1.150 6.941 11.349 549 H GLY 69 HN GLY 69 0.196 0.059 8.134 550 HA2 GLY 69 HA2 GLY 69 1.332 -2.220 9.042 551 HA3 GLY 69 HA1 GLY 69 0.594 -2.122 7.449 552 H PHE 70 HN PHE 70 2.245 -0.722 5.937 553 HA PHE 70 HA PHE 70 4.692 -2.332 5.952 554 HD1 PHE 70 HD2 PHE 70 1.452 -2.351 4.326 555 HD2 PHE 70 HD1 PHE 70 3.839 0.740 2.630 556 HE1 PHE 70 HE2 PHE 70 -0.571 -1.295 3.409 557 HE2 PHE 70 HE1 PHE 70 1.820 1.800 1.701 558 HZ PHE 70 HZ PHE 70 -0.390 0.779 2.092 559 HB2 PHE 70 HB2 PHE 70 4.865 -1.066 3.598 560 HB3 PHE 70 HB1 PHE 70 3.993 -2.577 3.806 561 H SER 71 HN SER 71 3.500 0.947 5.789 562 HA SER 71 HA SER 71 6.014 2.258 5.640 563 HG SER 71 HG SER 71 2.283 3.180 5.569 564 HB2 SER 71 HB2 SER 71 4.636 4.318 6.137 565 HB3 SER 71 HB1 SER 71 4.173 3.405 4.702 566 H SER 72 HN SER 72 4.935 0.577 8.208 567 HA SER 72 HA SER 72 4.842 2.149 10.422 568 HG SER 72 HG SER 72 6.939 0.477 12.070 569 HB2 SER 72 HB2 SER 72 4.663 -0.271 10.568 570 HB3 SER 72 HB1 SER 72 6.361 -0.452 10.131 571 H ASP 73 HN ASP 73 7.663 1.643 8.411 572 HA ASP 73 HA ASP 73 9.252 3.207 10.325 573 HB2 ASP 73 HB2 ASP 73 11.165 2.457 8.697 574 HB3 ASP 73 HB1 ASP 73 10.551 1.361 9.927 575 H ALA 74 HN ALA 74 7.312 4.497 8.847 576 HA ALA 74 HA ALA 74 8.873 6.504 7.489 577 HB1 ALA 74 HB1 ALA 74 6.718 5.054 5.945 578 HB2 ALA 74 HB2 ALA 74 8.448 4.870 5.686 579 HB3 ALA 74 HB3 ALA 74 7.679 6.419 5.379 580 H ARG 75 HN ARG 75 6.256 7.439 6.143 581 HA ARG 75 HA ARG 75 5.075 8.513 8.602 582 HE ARG 75 HE ARG 75 4.637 12.395 7.767 583 HB2 ARG 75 HB2 ARG 75 5.157 9.658 5.811 584 HB3 ARG 75 HB1 ARG 75 4.236 10.361 7.134 585 HG2 ARG 75 HG2 ARG 75 6.320 10.653 8.405 586 HG3 ARG 75 HG1 ARG 75 7.224 10.001 7.037 587 HD2 ARG 75 HD2 ARG 75 7.278 12.442 7.053 588 HD3 ARG 75 HD1 ARG 75 6.432 11.827 5.629 589 HH11 ARG 75 HH11 ARG 75 6.494 13.860 5.212 590 HH12 ARG 75 HH12 ARG 75 5.440 15.224 5.051 591 HH21 ARG 75 HH21 ARG 75 3.239 14.188 7.563 592 HH22 ARG 75 HH22 ARG 75 3.589 15.411 6.388 593 H ASP 76 HN ASP 76 3.489 8.721 5.466 594 HA ASP 76 HA ASP 76 1.828 6.538 5.472 595 HB2 ASP 76 HB2 ASP 76 -0.257 7.518 6.530 596 HB3 ASP 76 HB1 ASP 76 0.996 7.016 7.652 597 H LEU 77 HN LEU 77 -0.387 7.042 4.437 598 HA LEU 77 HA LEU 77 0.021 8.494 2.037 599 HG LEU 77 HG LEU 77 -1.479 7.223 0.379 600 HB2 LEU 77 HB2 LEU 77 -2.130 6.939 3.305 601 HB3 LEU 77 HB1 LEU 77 -2.683 8.194 2.208 602 HD11 LEU 77 HD11 LEU 77 -0.530 4.778 1.411 603 HD12 LEU 77 HD12 LEU 77 0.106 6.060 2.443 604 HD13 LEU 77 HD13 LEU 77 0.400 6.097 0.705 605 HD21 LEU 77 HD21 LEU 77 -2.530 4.947 0.349 606 HD22 LEU 77 HD22 LEU 77 -3.618 6.280 0.719 607 HD23 LEU 77 HD23 LEU 77 -3.034 5.238 2.013 608 H SER 78 HN SER 78 0.013 10.657 1.835 609 HA SER 78 HA SER 78 -1.424 12.276 3.792 610 HG SER 78 HG SER 78 0.040 14.807 3.650 611 HB2 SER 78 HB2 SER 78 0.882 12.919 3.262 612 HB3 SER 78 HB1 SER 78 0.457 13.086 1.560 613 H ALA 79 HN ALA 79 -2.208 14.474 2.497 614 HA ALA 79 HA ALA 79 -4.653 13.913 1.388 615 HB1 ALA 79 HB1 ALA 79 -4.669 16.175 0.529 616 HB2 ALA 79 HB2 ALA 79 -2.910 16.259 0.648 617 HB3 ALA 79 HB3 ALA 79 -3.890 16.154 2.113 618 H LYS 80 HN LYS 80 -1.651 14.602 -0.347 619 HA LYS 80 HA LYS 80 -2.530 14.335 -2.953 620 HB2 LYS 80 HB2 LYS 80 0.125 13.733 -1.666 621 HB3 LYS 80 HB1 LYS 80 -0.120 13.584 -3.401 622 HG2 LYS 80 HG2 LYS 80 -0.619 16.113 -1.847 623 HG3 LYS 80 HG1 LYS 80 0.893 15.737 -2.677 624 HD2 LYS 80 HD2 LYS 80 -0.372 15.523 -4.794 625 HD3 LYS 80 HD1 LYS 80 -1.834 16.018 -3.939 626 HE2 LYS 80 HE2 LYS 80 -0.797 18.156 -3.389 627 HE3 LYS 80 HE1 LYS 80 0.687 17.657 -4.201 628 HZ1 LYS 80 HZ1 LYS 80 -0.532 17.540 -6.281 629 HZ2 LYS 80 HZ2 LYS 80 -0.667 19.085 -5.606 630 HZ3 LYS 80 HZ3 LYS 80 -1.962 18.002 -5.505 631 H GLU 81 HN GLU 81 -1.218 11.797 -0.825 632 HA GLU 81 HA GLU 81 -1.516 9.719 -2.757 633 HB2 GLU 81 HB2 GLU 81 -1.375 9.305 0.212 634 HB3 GLU 81 HB1 GLU 81 -0.725 8.281 -1.048 635 HG2 GLU 81 HG2 GLU 81 0.879 10.151 -1.586 636 HG3 GLU 81 HG1 GLU 81 0.340 10.918 -0.094 637 H THR 82 HN THR 82 -3.585 11.024 -0.207 638 HA THR 82 HA THR 82 -5.361 8.861 -0.045 639 HB THR 82 HB THR 82 -5.908 11.818 0.261 640 HG1 THR 82 HG1 THR 82 -4.535 11.110 1.859 641 HG21 THR 82 HG21 THR 82 -7.641 9.488 1.092 642 HG22 THR 82 HG22 THR 82 -7.986 10.604 -0.227 643 HG23 THR 82 HG23 THR 82 -7.955 11.189 1.436 644 H LYS 83 HN LYS 83 -5.420 11.771 -2.031 645 HA LYS 83 HA LYS 83 -7.577 10.871 -3.669 646 HB2 LYS 83 HB2 LYS 83 -5.641 13.172 -3.925 647 HB3 LYS 83 HB1 LYS 83 -6.929 12.865 -5.081 648 HG2 LYS 83 HG2 LYS 83 -7.661 13.068 -2.213 649 HG3 LYS 83 HG1 LYS 83 -7.216 14.547 -3.066 650 HD2 LYS 83 HD2 LYS 83 -9.639 14.137 -3.124 651 HD3 LYS 83 HD1 LYS 83 -8.926 14.128 -4.737 652 HE2 LYS 83 HE2 LYS 83 -8.940 11.715 -4.775 653 HE3 LYS 83 HE1 LYS 83 -9.524 11.661 -3.112 654 HZ1 LYS 83 HZ1 LYS 83 -11.319 11.304 -4.676 655 HZ2 LYS 83 HZ2 LYS 83 -10.998 12.783 -5.434 656 HZ3 LYS 83 HZ3 LYS 83 -11.559 12.755 -3.838 657 H THR 84 HN THR 84 -4.085 10.630 -3.780 658 HA THR 84 HA THR 84 -4.095 9.920 -6.581 659 HB THR 84 HB THR 84 -1.808 10.084 -4.638 660 HG1 THR 84 HG1 THR 84 -1.400 11.965 -6.140 661 HG21 THR 84 HG21 THR 84 -0.377 10.029 -6.647 662 HG22 THR 84 HG22 THR 84 -1.802 9.712 -7.637 663 HG23 THR 84 HG23 THR 84 -1.282 8.529 -6.436 664 H LEU 85 HN LEU 85 -2.919 8.321 -3.615 665 HA LEU 85 HA LEU 85 -2.607 5.853 -5.071 666 HG LEU 85 HG LEU 85 -2.091 3.887 -3.536 667 HB2 LEU 85 HB2 LEU 85 -1.131 6.684 -3.169 668 HB3 LEU 85 HB1 LEU 85 -2.395 6.094 -2.103 669 HD11 LEU 85 HD11 LEU 85 0.671 5.069 -3.642 670 HD12 LEU 85 HD12 LEU 85 -0.427 5.001 -5.018 671 HD13 LEU 85 HD13 LEU 85 0.138 3.509 -4.269 672 HD21 LEU 85 HD21 LEU 85 -1.828 3.997 -1.142 673 HD22 LEU 85 HD22 LEU 85 -0.246 4.754 -1.317 674 HD23 LEU 85 HD23 LEU 85 -0.496 3.090 -1.848 675 H MET 86 HN MET 86 -4.717 6.838 -2.334 676 HA MET 86 HA MET 86 -6.001 4.314 -2.213 677 HB2 MET 86 HB2 MET 86 -7.427 6.855 -1.469 678 HB3 MET 86 HB1 MET 86 -7.581 5.257 -0.761 679 HG2 MET 86 HG2 MET 86 -5.373 5.432 0.218 680 HG3 MET 86 HG1 MET 86 -5.157 7.017 -0.509 681 HE1 MET 86 HE1 MET 86 -4.588 8.207 1.789 682 HE2 MET 86 HE2 MET 86 -4.631 6.600 2.514 683 HE3 MET 86 HE3 MET 86 -5.515 7.930 3.264 684 H ALA 87 HN ALA 87 -7.055 7.353 -3.733 685 HA ALA 87 HA ALA 87 -9.405 6.299 -4.856 686 HB1 ALA 87 HB1 ALA 87 -7.875 8.555 -6.099 687 HB2 ALA 87 HB2 ALA 87 -8.700 8.740 -4.546 688 HB3 ALA 87 HB3 ALA 87 -9.619 8.317 -5.996 689 H ALA 88 HN ALA 88 -6.090 6.511 -6.203 690 HA ALA 88 HA ALA 88 -6.861 5.504 -8.755 691 HB1 ALA 88 HB1 ALA 88 -4.142 5.486 -7.444 692 HB2 ALA 88 HB2 ALA 88 -4.795 6.794 -8.430 693 HB3 ALA 88 HB3 ALA 88 -4.475 5.219 -9.155 694 H GLY 89 HN GLY 89 -5.373 4.076 -5.866 695 HA2 GLY 89 HA2 GLY 89 -4.983 1.482 -6.645 696 HA3 GLY 89 HA1 GLY 89 -5.506 1.940 -5.037 697 H ASP 90 HN ASP 90 -8.006 3.040 -5.811 698 HA ASP 90 HA ASP 90 -9.474 0.554 -6.174 699 HB2 ASP 90 HB2 ASP 90 -11.400 1.748 -5.273 700 HB3 ASP 90 HB1 ASP 90 -10.006 1.875 -4.206 701 H LYS 91 HN LYS 91 -8.354 1.625 -8.562 702 HA LYS 91 HA LYS 91 -9.694 3.245 -10.210 703 HB2 LYS 91 HB2 LYS 91 -8.843 0.422 -10.874 704 HB3 LYS 91 HB1 LYS 91 -9.312 1.611 -12.078 705 HG2 LYS 91 HG2 LYS 91 -6.878 1.561 -10.337 706 HG3 LYS 91 HG1 LYS 91 -6.993 1.693 -12.091 707 HD2 LYS 91 HD2 LYS 91 -7.852 3.775 -10.109 708 HD3 LYS 91 HD1 LYS 91 -6.348 3.813 -11.032 709 HE2 LYS 91 HE2 LYS 91 -7.619 3.910 -13.111 710 HE3 LYS 91 HE1 LYS 91 -9.130 3.820 -12.207 711 HZ1 LYS 91 HZ1 LYS 91 -8.607 6.090 -12.850 712 HZ2 LYS 91 HZ2 LYS 91 -7.138 6.015 -12.018 713 HZ3 LYS 91 HZ3 LYS 91 -8.596 5.931 -11.166 714 H ASP 92 HN ASP 92 -10.999 0.217 -9.033 715 HA ASP 92 HA ASP 92 -13.523 0.808 -10.442 716 HB2 ASP 92 HB2 ASP 92 -14.016 -1.604 -10.334 717 HB3 ASP 92 HB1 ASP 92 -12.524 -1.285 -11.213 718 H GLY 93 HN GLY 93 -12.840 1.988 -7.956 719 HA2 GLY 93 HA2 GLY 93 -14.870 0.761 -6.214 720 HA3 GLY 93 HA1 GLY 93 -13.334 1.346 -5.588 721 H ASP 94 HN ASP 94 -14.829 2.573 -4.184 722 HA ASP 94 HA ASP 94 -15.774 5.041 -5.487 723 HB2 ASP 94 HB2 ASP 94 -16.729 3.603 -3.014 724 HB3 ASP 94 HB1 ASP 94 -17.178 5.269 -3.361 725 H GLY 95 HN GLY 95 -13.048 4.240 -4.318 726 HA2 GLY 95 HA2 GLY 95 -11.461 5.906 -3.604 727 HA3 GLY 95 HA1 GLY 95 -12.736 6.662 -2.670 728 H LYS 96 HN LYS 96 -11.835 3.265 -2.833 729 HA LYS 96 HA LYS 96 -10.730 3.333 -0.150 730 HB2 LYS 96 HB2 LYS 96 -13.059 1.492 -0.725 731 HB3 LYS 96 HB1 LYS 96 -12.315 1.834 0.825 732 HG2 LYS 96 HG2 LYS 96 -13.132 4.130 0.732 733 HG3 LYS 96 HG1 LYS 96 -13.873 3.803 -0.833 734 HD2 LYS 96 HD2 LYS 96 -15.297 2.096 0.223 735 HD3 LYS 96 HD1 LYS 96 -14.577 2.487 1.788 736 HE2 LYS 96 HE2 LYS 96 -16.696 3.638 1.546 737 HE3 LYS 96 HE1 LYS 96 -15.369 4.805 1.550 738 HZ1 LYS 96 HZ1 LYS 96 -15.507 4.921 -0.853 739 HZ2 LYS 96 HZ2 LYS 96 -17.002 5.306 -0.161 740 HZ3 LYS 96 HZ3 LYS 96 -16.762 3.788 -0.869 741 H ILE 97 HN ILE 97 -9.310 1.676 0.232 742 HA ILE 97 HA ILE 97 -8.906 -0.174 -2.016 743 HB ILE 97 HB ILE 97 -6.952 0.809 0.070 744 HG12 ILE 97 HG12 ILE 97 -7.182 1.193 -2.917 745 HG13 ILE 97 HG11 ILE 97 -7.290 2.428 -1.667 746 HG21 ILE 97 HG21 ILE 97 -5.261 -0.521 -1.238 747 HG22 ILE 97 HG22 ILE 97 -6.615 -1.328 -2.030 748 HG23 ILE 97 HG23 ILE 97 -6.397 -1.477 -0.287 749 HD11 ILE 97 HD11 ILE 97 -5.148 2.418 -2.918 750 HD12 ILE 97 HD12 ILE 97 -4.810 0.822 -2.242 751 HD13 ILE 97 HD13 ILE 97 -4.960 2.222 -1.176 752 H GLY 98 HN GLY 98 -9.767 -2.092 -1.659 753 HA2 GLY 98 HA2 GLY 98 -9.657 -3.170 1.075 754 HA3 GLY 98 HA1 GLY 98 -10.855 -3.638 -0.129 755 H VAL 99 HN VAL 99 -10.258 -5.870 0.154 756 HA VAL 99 HA VAL 99 -7.593 -6.776 -0.211 757 HB VAL 99 HB VAL 99 -9.349 -8.091 0.956 758 HG11 VAL 99 HG11 VAL 99 -10.987 -9.339 -0.305 759 HG12 VAL 99 HG12 VAL 99 -10.385 -8.662 -1.818 760 HG13 VAL 99 HG13 VAL 99 -11.177 -7.616 -0.638 761 HG21 VAL 99 HG21 VAL 99 -8.054 -9.486 -1.386 762 HG22 VAL 99 HG22 VAL 99 -8.666 -10.266 0.072 763 HG23 VAL 99 HG23 VAL 99 -7.297 -9.159 0.172 764 H GLU 100 HN GLU 100 -10.377 -6.538 -2.390 765 HA GLU 100 HA GLU 100 -9.077 -7.754 -4.599 766 HB2 GLU 100 HB2 GLU 100 -11.002 -7.001 -5.900 767 HB3 GLU 100 HB1 GLU 100 -11.486 -7.758 -4.391 768 HG2 GLU 100 HG2 GLU 100 -11.656 -5.498 -3.408 769 HG3 GLU 100 HG1 GLU 100 -11.442 -4.842 -5.027 770 H GLU 101 HN GLU 101 -9.872 -4.358 -3.895 771 HA GLU 101 HA GLU 101 -8.836 -3.257 -6.224 772 HB2 GLU 101 HB2 GLU 101 -9.626 -2.337 -3.551 773 HB3 GLU 101 HB1 GLU 101 -8.532 -1.267 -4.412 774 HG2 GLU 101 HG2 GLU 101 -10.752 -0.569 -4.871 775 HG3 GLU 101 HG1 GLU 101 -10.116 -1.322 -6.332 776 H PHE 102 HN PHE 102 -7.232 -4.178 -3.230 777 HA PHE 102 HA PHE 102 -4.838 -2.806 -3.495 778 HD1 PHE 102 HD2 PHE 102 -4.650 -2.530 -0.621 779 HD2 PHE 102 HD1 PHE 102 -2.399 -5.597 -2.483 780 HE1 PHE 102 HE2 PHE 102 -2.629 -1.726 0.530 781 HE2 PHE 102 HE1 PHE 102 -0.360 -4.812 -1.343 782 HZ PHE 102 HZ PHE 102 -0.476 -2.870 0.168 783 HB2 PHE 102 HB2 PHE 102 -5.705 -4.528 -1.665 784 HB3 PHE 102 HB1 PHE 102 -4.720 -5.649 -2.592 785 H SER 103 HN SER 103 -6.082 -5.416 -5.386 786 HA SER 103 HA SER 103 -3.571 -6.212 -6.510 787 HG SER 103 HG SER 103 -3.979 -7.956 -8.210 788 HB2 SER 103 HB2 SER 103 -5.501 -7.740 -6.509 789 HB3 SER 103 HB1 SER 103 -6.395 -6.622 -7.539 790 H THR 104 HN THR 104 -6.161 -3.994 -7.360 791 HA THR 104 HA THR 104 -5.310 -3.278 -9.934 792 HB THR 104 HB THR 104 -6.799 -1.589 -7.912 793 HG1 THR 104 HG1 THR 104 -8.479 -2.763 -8.429 794 HG21 THR 104 HG21 THR 104 -7.349 -0.094 -9.578 795 HG22 THR 104 HG22 THR 104 -7.112 -1.284 -10.861 796 HG23 THR 104 HG23 THR 104 -5.715 -0.546 -10.083 797 H LEU 105 HN LEU 105 -4.522 -1.911 -6.755 798 HA LEU 105 HA LEU 105 -3.023 0.277 -7.670 799 HG LEU 105 HG LEU 105 -3.668 -2.158 -5.013 800 HB2 LEU 105 HB2 LEU 105 -1.726 -0.483 -5.322 801 HB3 LEU 105 HB1 LEU 105 -2.993 0.700 -5.488 802 HD11 LEU 105 HD11 LEU 105 -3.876 -1.264 -2.566 803 HD12 LEU 105 HD12 LEU 105 -2.629 -0.133 -3.095 804 HD13 LEU 105 HD13 LEU 105 -2.332 -1.870 -3.164 805 HD21 LEU 105 HD21 LEU 105 -5.735 -1.322 -4.305 806 HD22 LEU 105 HD22 LEU 105 -5.333 -0.351 -5.718 807 HD23 LEU 105 HD23 LEU 105 -5.096 0.307 -4.102 808 H VAL 106 HN VAL 106 -2.265 -3.084 -7.609 809 HA VAL 106 HA VAL 106 0.576 -2.754 -7.757 810 HB VAL 106 HB VAL 106 -1.099 -5.133 -8.582 811 HG11 VAL 106 HG11 VAL 106 1.062 -5.250 -9.608 812 HG12 VAL 106 HG12 VAL 106 1.041 -6.372 -8.247 813 HG13 VAL 106 HG13 VAL 106 1.858 -4.816 -8.096 814 HG21 VAL 106 HG21 VAL 106 -0.512 -6.057 -6.397 815 HG22 VAL 106 HG22 VAL 106 -1.410 -4.550 -6.223 816 HG23 VAL 106 HG23 VAL 106 0.338 -4.568 -5.986 817 H ALA 107 HN ALA 107 -2.064 -3.000 -10.052 818 HA ALA 107 HA ALA 107 -0.331 -3.123 -12.352 819 HB1 ALA 107 HB1 ALA 107 -2.388 -2.977 -13.656 820 HB2 ALA 107 HB2 ALA 107 -3.301 -2.619 -12.191 821 HB3 ALA 107 HB3 ALA 107 -2.534 -4.194 -12.387 822 H GLU 108 HN GLU 108 -1.898 -0.686 -10.446 823 HA GLU 108 HA GLU 108 -1.883 1.436 -12.290 824 HB2 GLU 108 HB2 GLU 108 -1.785 1.385 -9.277 825 HB3 GLU 108 HB1 GLU 108 -1.883 2.877 -10.209 826 HG2 GLU 108 HG2 GLU 108 -4.007 2.432 -10.973 827 HG3 GLU 108 HG1 GLU 108 -3.843 0.707 -10.684 828 H SER 109 HN SER 109 0.259 1.033 -9.491 829 HA SER 109 HA SER 109 2.202 2.847 -10.363 830 HG SER 109 HG SER 109 1.078 1.564 -7.346 831 HB2 SER 109 HB2 SER 109 3.411 0.992 -8.641 832 HB3 SER 109 HB1 SER 109 2.717 2.551 -8.215 Start of MODEL 17 1 HA SER 1 HA SER 1 4.538 -12.225 8.179 2 HG SER 1 HG SER 1 4.183 -15.215 8.528 3 H1 SER 1 HT1 SER 1 2.740 -13.724 8.746 4 H2 SER 1 HT2 SER 1 2.137 -13.631 7.170 5 H3 SER 1 HT3 SER 1 2.147 -12.255 8.150 6 HB2 SER 1 HB2 SER 1 4.263 -14.638 6.367 7 HB3 SER 1 HB1 SER 1 5.774 -13.780 6.675 8 H MET 2 HN MET 2 5.321 -10.663 6.907 9 HA MET 2 HA MET 2 4.092 -10.295 4.254 10 HB2 MET 2 HB2 MET 2 3.284 -8.619 5.852 11 HB3 MET 2 HB1 MET 2 4.938 -8.159 6.222 12 HG2 MET 2 HG2 MET 2 3.850 -7.956 3.435 13 HG3 MET 2 HG1 MET 2 3.583 -6.691 4.630 14 HE1 MET 2 HE1 MET 2 6.292 -6.760 6.297 15 HE2 MET 2 HE2 MET 2 5.505 -5.276 5.758 16 HE3 MET 2 HE3 MET 2 7.223 -5.527 5.445 17 H THR 3 HN THR 3 6.972 -9.898 6.249 18 HA THR 3 HA THR 3 8.650 -8.907 4.189 19 HB THR 3 HB THR 3 10.525 -9.539 5.689 20 HG1 THR 3 HG1 THR 3 9.762 -10.326 7.838 21 HG21 THR 3 HG21 THR 3 8.234 -8.158 7.094 22 HG22 THR 3 HG22 THR 3 9.376 -7.393 5.990 23 HG23 THR 3 HG23 THR 3 9.939 -8.042 7.530 24 H ASP 4 HN ASP 4 7.622 -12.073 5.161 25 HA ASP 4 HA ASP 4 9.667 -13.578 3.914 26 HB2 ASP 4 HB2 ASP 4 8.167 -14.552 5.595 27 HB3 ASP 4 HB1 ASP 4 6.799 -14.349 4.503 28 H LEU 5 HN LEU 5 6.842 -11.967 2.726 29 HA LEU 5 HA LEU 5 7.122 -13.271 0.119 30 HG LEU 5 HG LEU 5 5.096 -14.443 0.947 31 HB2 LEU 5 HB2 LEU 5 4.938 -11.451 1.137 32 HB3 LEU 5 HB1 LEU 5 4.964 -12.243 -0.427 33 HD11 LEU 5 HD11 LEU 5 3.912 -14.280 3.106 34 HD12 LEU 5 HD12 LEU 5 4.004 -12.523 2.994 35 HD13 LEU 5 HD13 LEU 5 5.482 -13.478 3.118 36 HD21 LEU 5 HD21 LEU 5 3.218 -13.812 -0.462 37 HD22 LEU 5 HD22 LEU 5 2.578 -12.789 0.825 38 HD23 LEU 5 HD23 LEU 5 2.652 -14.537 1.042 39 H LEU 6 HN LEU 6 6.487 -9.990 1.363 40 HA LEU 6 HA LEU 6 7.457 -8.749 -1.025 41 HG LEU 6 HG LEU 6 4.822 -8.404 0.921 42 HB2 LEU 6 HB2 LEU 6 6.904 -7.545 1.687 43 HB3 LEU 6 HB1 LEU 6 7.151 -6.648 0.202 44 HD11 LEU 6 HD11 LEU 6 3.624 -6.243 0.261 45 HD12 LEU 6 HD12 LEU 6 5.207 -5.488 0.427 46 HD13 LEU 6 HD13 LEU 6 4.468 -6.289 1.808 47 HD21 LEU 6 HD21 LEU 6 5.501 -8.843 -1.402 48 HD22 LEU 6 HD22 LEU 6 5.400 -7.117 -1.741 49 HD23 LEU 6 HD23 LEU 6 3.947 -8.017 -1.307 50 H SER 7 HN SER 7 9.420 -7.866 -1.445 51 HA SER 7 HA SER 7 11.694 -8.814 -0.184 52 HG SER 7 HG SER 7 10.568 -6.509 -2.882 53 HB2 SER 7 HB2 SER 7 12.823 -6.801 -1.338 54 HB3 SER 7 HB1 SER 7 11.991 -7.974 -2.360 55 H ALA 8 HN ALA 8 12.251 -8.501 1.868 56 HA ALA 8 HA ALA 8 11.324 -6.436 3.520 57 HB1 ALA 8 HB1 ALA 8 13.745 -8.199 3.865 58 HB2 ALA 8 HB2 ALA 8 12.106 -8.557 4.406 59 HB3 ALA 8 HB3 ALA 8 13.002 -7.222 5.130 60 H GLU 9 HN GLU 9 14.262 -6.741 1.614 61 HA GLU 9 HA GLU 9 15.608 -4.500 2.693 62 HB2 GLU 9 HB2 GLU 9 16.953 -6.045 1.550 63 HB3 GLU 9 HB1 GLU 9 15.872 -6.108 0.168 64 HG2 GLU 9 HG2 GLU 9 16.600 -3.994 -0.606 65 HG3 GLU 9 HG1 GLU 9 17.480 -3.674 0.888 66 H ASP 10 HN ASP 10 13.645 -4.905 -0.236 67 HA ASP 10 HA ASP 10 13.831 -2.351 -1.293 68 HB2 ASP 10 HB2 ASP 10 11.481 -4.238 -1.253 69 HB3 ASP 10 HB1 ASP 10 11.627 -2.845 -2.329 70 H ILE 11 HN ILE 11 11.322 -3.621 0.861 71 HA ILE 11 HA ILE 11 9.843 -1.280 1.207 72 HB ILE 11 HB ILE 11 10.310 -3.453 3.227 73 HG12 ILE 11 HG12 ILE 11 7.932 -3.402 1.415 74 HG13 ILE 11 HG11 ILE 11 9.450 -4.086 0.841 75 HG21 ILE 11 HG21 ILE 11 8.006 -2.796 3.986 76 HG22 ILE 11 HG22 ILE 11 8.132 -1.401 2.907 77 HG23 ILE 11 HG23 ILE 11 9.257 -1.581 4.257 78 HD11 ILE 11 HD11 ILE 11 7.924 -5.767 1.753 79 HD12 ILE 11 HD12 ILE 11 7.982 -4.956 3.315 80 HD13 ILE 11 HD13 ILE 11 9.442 -5.684 2.645 81 H LYS 12 HN LYS 12 12.404 -2.609 3.297 82 HA LYS 12 HA LYS 12 12.481 -0.552 5.150 83 HB2 LYS 12 HB2 LYS 12 13.726 -2.776 5.198 84 HB3 LYS 12 HB1 LYS 12 14.935 -2.007 4.180 85 HG2 LYS 12 HG2 LYS 12 15.771 -1.799 6.346 86 HG3 LYS 12 HG1 LYS 12 15.075 -0.219 5.983 87 HD2 LYS 12 HD2 LYS 12 14.451 -0.878 8.222 88 HD3 LYS 12 HD1 LYS 12 13.023 -0.878 7.185 89 HE2 LYS 12 HE2 LYS 12 13.124 -2.840 8.681 90 HE3 LYS 12 HE1 LYS 12 13.123 -3.279 6.975 91 HZ1 LYS 12 HZ1 LYS 12 15.502 -3.609 7.079 92 HZ2 LYS 12 HZ2 LYS 12 14.738 -4.561 8.248 93 HZ3 LYS 12 HZ3 LYS 12 15.532 -3.139 8.705 94 H LYS 13 HN LYS 13 14.151 -0.839 2.038 95 HA LYS 13 HA LYS 13 15.641 1.572 2.295 96 HB2 LYS 13 HB2 LYS 13 14.848 -0.052 -0.118 97 HB3 LYS 13 HB1 LYS 13 15.942 1.324 -0.176 98 HG2 LYS 13 HG2 LYS 13 17.644 0.197 0.827 99 HG3 LYS 13 HG1 LYS 13 16.559 -0.870 1.718 100 HD2 LYS 13 HD2 LYS 13 17.881 -1.954 -0.146 101 HD3 LYS 13 HD1 LYS 13 16.138 -2.198 -0.190 102 HE2 LYS 13 HE2 LYS 13 15.884 -0.530 -1.896 103 HE3 LYS 13 HE1 LYS 13 17.590 -0.089 -1.777 104 HZ1 LYS 13 HZ1 LYS 13 16.534 -2.713 -2.688 105 HZ2 LYS 13 HZ2 LYS 13 18.170 -2.306 -2.565 106 HZ3 LYS 13 HZ3 LYS 13 17.184 -1.509 -3.682 107 H ALA 14 HN ALA 14 12.775 0.710 0.400 108 HA ALA 14 HA ALA 14 12.289 3.257 -0.660 109 HB1 ALA 14 HB1 ALA 14 10.197 1.162 -0.137 110 HB2 ALA 14 HB2 ALA 14 11.375 1.038 -1.443 111 HB3 ALA 14 HB3 ALA 14 10.227 2.375 -1.415 112 H ILE 15 HN ILE 15 11.271 1.701 2.296 113 HA ILE 15 HA ILE 15 9.295 3.518 3.074 114 HB ILE 15 HB ILE 15 10.983 1.505 4.506 115 HG12 ILE 15 HG12 ILE 15 8.995 0.954 3.027 116 HG13 ILE 15 HG11 ILE 15 8.966 0.293 4.658 117 HG21 ILE 15 HG21 ILE 15 10.789 2.591 6.433 118 HG22 ILE 15 HG22 ILE 15 9.083 2.145 6.370 119 HG23 ILE 15 HG23 ILE 15 9.607 3.722 5.785 120 HD11 ILE 15 HD11 ILE 15 7.545 2.294 5.296 121 HD12 ILE 15 HD12 ILE 15 6.771 1.071 4.293 122 HD13 ILE 15 HD13 ILE 15 7.358 2.575 3.567 123 H GLY 16 HN GLY 16 12.714 3.307 4.121 124 HA2 GLY 16 HA2 GLY 16 12.448 5.940 5.378 125 HA3 GLY 16 HA1 GLY 16 13.771 4.819 5.610 126 H ALA 17 HN ALA 17 13.435 4.913 2.334 127 HA ALA 17 HA ALA 17 15.618 6.844 2.160 128 HB1 ALA 17 HB1 ALA 17 16.063 5.964 -0.023 129 HB2 ALA 17 HB2 ALA 17 14.542 5.067 -0.018 130 HB3 ALA 17 HB3 ALA 17 15.836 4.619 1.098 131 H PHE 18 HN PHE 18 12.278 6.959 1.771 132 HA PHE 18 HA PHE 18 12.542 9.163 -0.170 133 HD1 PHE 18 HD2 PHE 18 13.202 7.450 -1.354 134 HD2 PHE 18 HD1 PHE 18 9.250 5.914 -1.054 135 HE1 PHE 18 HE2 PHE 18 13.860 5.500 -2.703 136 HE2 PHE 18 HE1 PHE 18 9.889 3.976 -2.405 137 HZ PHE 18 HZ PHE 18 12.202 3.756 -3.228 138 HB2 PHE 18 HB2 PHE 18 9.996 7.663 0.391 139 HB3 PHE 18 HB1 PHE 18 10.355 8.732 -0.958 140 H THR 19 HN THR 19 12.514 11.058 0.834 141 HA THR 19 HA THR 19 10.891 11.422 3.228 142 HB THR 19 HB THR 19 11.949 13.643 3.375 143 HG1 THR 19 HG1 THR 19 12.773 14.445 1.607 144 HG21 THR 19 HG21 THR 19 13.912 11.393 2.916 145 HG22 THR 19 HG22 THR 19 13.067 11.743 4.423 146 HG23 THR 19 HG23 THR 19 14.251 12.886 3.793 147 H ALA 20 HN ALA 20 11.284 12.850 0.018 148 HA ALA 20 HA ALA 20 8.721 14.230 0.239 149 HB1 ALA 20 HB1 ALA 20 10.663 15.568 -0.417 150 HB2 ALA 20 HB2 ALA 20 9.437 15.525 -1.684 151 HB3 ALA 20 HB3 ALA 20 10.890 14.537 -1.829 152 H ALA 21 HN ALA 21 10.519 12.164 -2.037 153 HA ALA 21 HA ALA 21 8.852 11.821 -4.108 154 HB1 ALA 21 HB1 ALA 21 10.296 9.587 -2.704 155 HB2 ALA 21 HB2 ALA 21 10.975 10.666 -3.921 156 HB3 ALA 21 HB3 ALA 21 9.691 9.538 -4.358 157 H ASP 22 HN ASP 22 8.668 9.530 -1.410 158 HA ASP 22 HA ASP 22 6.096 8.592 -2.189 159 HB2 ASP 22 HB2 ASP 22 6.162 7.259 -0.164 160 HB3 ASP 22 HB1 ASP 22 7.746 7.212 -0.931 161 H SER 23 HN SER 23 7.233 11.210 -0.286 162 HA SER 23 HA SER 23 5.228 11.654 1.539 163 HG SER 23 HG SER 23 6.850 14.086 2.572 164 HB2 SER 23 HB2 SER 23 7.450 12.969 0.895 165 HB3 SER 23 HB1 SER 23 6.306 13.979 0.013 166 H PHE 24 HN PHE 24 5.341 12.605 -1.885 167 HA PHE 24 HA PHE 24 2.597 13.586 -1.695 168 HD1 PHE 24 HD1 PHE 24 3.869 12.707 -5.632 169 HD2 PHE 24 HD2 PHE 24 6.399 14.699 -2.851 170 HE1 PHE 24 HE1 PHE 24 5.838 12.022 -6.938 171 HE2 PHE 24 HE2 PHE 24 8.372 14.019 -4.150 172 HZ PHE 24 HZ PHE 24 8.094 12.678 -6.199 173 HB2 PHE 24 HB2 PHE 24 2.994 14.361 -4.053 174 HB3 PHE 24 HB1 PHE 24 4.044 15.086 -2.841 175 H ASP 25 HN ASP 25 4.441 11.018 -3.300 176 HA ASP 25 HA ASP 25 1.904 9.694 -3.865 177 HB2 ASP 25 HB2 ASP 25 2.367 10.963 -5.900 178 HB3 ASP 25 HB1 ASP 25 3.961 10.222 -6.014 179 H HIS 26 HN HIS 26 2.196 7.910 -2.696 180 HA HIS 26 HA HIS 26 4.691 6.566 -2.396 181 HD1 HIS 26 HD1 HIS 26 4.248 5.091 0.871 182 HD2 HIS 26 HD2 HIS 26 2.169 8.456 -0.395 183 HE1 HIS 26 HE1 HIS 26 4.336 6.701 2.803 184 HE2 HIS 26 HE2 HIS 26 3.086 8.738 2.007 185 HB2 HIS 26 HB2 HIS 26 1.855 5.794 -1.709 186 HB3 HIS 26 HB1 HIS 26 3.239 4.761 -1.361 187 H LYS 27 HN LYS 27 2.408 6.537 -4.943 188 HA LYS 27 HA LYS 27 2.290 3.964 -5.796 189 HB2 LYS 27 HB2 LYS 27 2.588 6.490 -7.406 190 HB3 LYS 27 HB1 LYS 27 2.298 4.930 -8.132 191 HG2 LYS 27 HG2 LYS 27 0.329 5.043 -6.250 192 HG3 LYS 27 HG1 LYS 27 0.455 6.723 -6.775 193 HD2 LYS 27 HD2 LYS 27 0.094 4.339 -8.572 194 HD3 LYS 27 HD1 LYS 27 -1.172 5.480 -8.117 195 HE2 LYS 27 HE2 LYS 27 1.331 6.104 -9.680 196 HE3 LYS 27 HE1 LYS 27 -0.303 5.990 -10.332 197 HZ1 LYS 27 HZ1 LYS 27 -0.942 7.866 -8.941 198 HZ2 LYS 27 HZ2 LYS 27 0.330 8.285 -9.975 199 HZ3 LYS 27 HZ3 LYS 27 0.635 7.983 -8.338 200 H LYS 28 HN LYS 28 4.900 6.281 -6.586 201 HA LYS 28 HA LYS 28 6.512 4.448 -7.967 202 HB2 LYS 28 HB2 LYS 28 7.335 6.835 -6.297 203 HB3 LYS 28 HB1 LYS 28 8.384 5.993 -7.430 204 HG2 LYS 28 HG2 LYS 28 5.886 7.536 -8.100 205 HG3 LYS 28 HG1 LYS 28 7.551 8.011 -8.444 206 HD2 LYS 28 HD2 LYS 28 6.056 5.660 -9.602 207 HD3 LYS 28 HD1 LYS 28 6.547 7.126 -10.451 208 HE2 LYS 28 HE2 LYS 28 8.404 5.088 -9.226 209 HE3 LYS 28 HE1 LYS 28 8.038 5.246 -10.942 210 HZ1 LYS 28 HZ1 LYS 28 9.359 7.303 -9.255 211 HZ2 LYS 28 HZ2 LYS 28 8.997 7.469 -10.900 212 HZ3 LYS 28 HZ3 LYS 28 10.125 6.314 -10.395 213 H PHE 29 HN PHE 29 6.386 5.395 -4.568 214 HA PHE 29 HA PHE 29 8.411 3.777 -3.580 215 HD1 PHE 29 HD2 PHE 29 8.970 3.685 -0.725 216 HD2 PHE 29 HD1 PHE 29 4.749 3.284 -1.077 217 HE1 PHE 29 HE2 PHE 29 8.943 2.213 1.244 218 HE2 PHE 29 HE1 PHE 29 4.723 1.817 0.899 219 HZ PHE 29 HZ PHE 29 6.822 1.281 2.060 220 HB2 PHE 29 HB2 PHE 29 7.533 5.308 -2.039 221 HB3 PHE 29 HB1 PHE 29 5.873 4.865 -2.388 222 H PHE 30 HN PHE 30 5.156 3.007 -4.572 223 HA PHE 30 HA PHE 30 4.896 0.447 -3.435 224 HD1 PHE 30 HD2 PHE 30 2.215 1.901 -2.971 225 HD2 PHE 30 HD1 PHE 30 2.699 -1.429 -5.565 226 HE1 PHE 30 HE2 PHE 30 0.449 0.699 -1.749 227 HE2 PHE 30 HE1 PHE 30 0.943 -2.634 -4.349 228 HZ PHE 30 HZ PHE 30 -0.188 -1.577 -2.440 229 HB2 PHE 30 HB2 PHE 30 3.389 2.078 -5.143 230 HB3 PHE 30 HB1 PHE 30 3.718 0.627 -6.084 231 H GLN 31 HN GLN 31 6.639 1.626 -6.183 232 HA GLN 31 HA GLN 31 7.207 -0.991 -7.271 233 HB2 GLN 31 HB2 GLN 31 8.597 1.529 -8.065 234 HB3 GLN 31 HB1 GLN 31 8.213 0.133 -9.052 235 HG2 GLN 31 HG2 GLN 31 5.798 0.773 -8.798 236 HG3 GLN 31 HG1 GLN 31 6.352 2.272 -8.058 237 HE21 GLN 31 HE21 GLN 31 5.473 3.529 -9.690 238 HE22 GLN 31 HE22 GLN 31 6.163 3.607 -11.271 239 H MET 32 HN MET 32 9.040 1.603 -5.700 240 HA MET 32 HA MET 32 11.460 0.105 -5.592 241 HB2 MET 32 HB2 MET 32 10.727 2.519 -3.939 242 HB3 MET 32 HB1 MET 32 12.342 1.958 -4.353 243 HG2 MET 32 HG2 MET 32 11.814 2.376 -6.741 244 HG3 MET 32 HG1 MET 32 10.278 3.069 -6.230 245 HE1 MET 32 HE1 MET 32 12.456 6.150 -7.403 246 HE2 MET 32 HE2 MET 32 10.923 5.307 -7.621 247 HE3 MET 32 HE3 MET 32 12.434 4.520 -8.079 248 H VAL 33 HN VAL 33 8.704 0.411 -3.493 249 HA VAL 33 HA VAL 33 9.895 -0.511 -1.091 250 HB VAL 33 HB VAL 33 7.698 0.650 -1.170 251 HG11 VAL 33 HG11 VAL 33 6.534 -1.969 -2.069 252 HG12 VAL 33 HG12 VAL 33 6.958 -0.696 -3.208 253 HG13 VAL 33 HG13 VAL 33 5.746 -0.394 -1.959 254 HG21 VAL 33 HG21 VAL 33 8.038 -0.394 0.856 255 HG22 VAL 33 HG22 VAL 33 7.989 -1.996 0.131 256 HG23 VAL 33 HG23 VAL 33 6.500 -1.084 0.332 257 H GLY 34 HN GLY 34 8.762 -2.104 -3.926 258 HA2 GLY 34 HA2 GLY 34 9.463 -4.304 -4.494 259 HA3 GLY 34 HA1 GLY 34 9.631 -4.659 -2.782 260 H LEU 35 HN LEU 35 6.732 -3.050 -3.679 261 HA LEU 35 HA LEU 35 5.145 -5.289 -2.860 262 HG LEU 35 HG LEU 35 4.282 -3.907 -1.290 263 HB2 LEU 35 HB2 LEU 35 4.707 -2.481 -3.539 264 HB3 LEU 35 HB1 LEU 35 3.415 -3.525 -4.097 265 HD11 LEU 35 HD11 LEU 35 2.880 -1.433 -2.271 266 HD12 LEU 35 HD12 LEU 35 4.332 -1.540 -1.277 267 HD13 LEU 35 HD13 LEU 35 2.771 -2.010 -0.608 268 HD21 LEU 35 HD21 LEU 35 2.420 -5.109 -1.410 269 HD22 LEU 35 HD22 LEU 35 2.024 -4.438 -2.991 270 HD23 LEU 35 HD23 LEU 35 1.522 -3.595 -1.525 271 H LYS 36 HN LYS 36 6.151 -3.893 -5.888 272 HA LYS 36 HA LYS 36 4.435 -5.616 -7.463 273 HB2 LYS 36 HB2 LYS 36 6.561 -3.606 -8.186 274 HB3 LYS 36 HB1 LYS 36 5.702 -4.566 -9.382 275 HG2 LYS 36 HG2 LYS 36 3.831 -3.325 -9.227 276 HG3 LYS 36 HG1 LYS 36 3.999 -3.114 -7.481 277 HD2 LYS 36 HD2 LYS 36 4.255 -1.008 -8.949 278 HD3 LYS 36 HD1 LYS 36 5.478 -1.313 -7.734 279 HE2 LYS 36 HE2 LYS 36 6.374 -0.608 -9.938 280 HE3 LYS 36 HE1 LYS 36 6.999 -2.153 -9.387 281 HZ1 LYS 36 HZ1 LYS 36 5.385 -3.255 -10.825 282 HZ2 LYS 36 HZ2 LYS 36 6.412 -2.248 -11.714 283 HZ3 LYS 36 HZ3 LYS 36 4.829 -1.755 -11.374 284 H LYS 37 HN LYS 37 6.937 -6.430 -5.674 285 HA LYS 37 HA LYS 37 8.993 -7.413 -7.169 286 HB2 LYS 37 HB2 LYS 37 9.000 -7.490 -4.752 287 HB3 LYS 37 HB1 LYS 37 7.656 -8.622 -4.753 288 HG2 LYS 37 HG2 LYS 37 9.098 -10.280 -5.875 289 HG3 LYS 37 HG1 LYS 37 10.436 -9.138 -5.782 290 HD2 LYS 37 HD2 LYS 37 10.088 -9.113 -3.283 291 HD3 LYS 37 HD1 LYS 37 8.983 -10.472 -3.507 292 HE2 LYS 37 HE2 LYS 37 11.928 -10.360 -4.128 293 HE3 LYS 37 HE1 LYS 37 11.114 -11.372 -2.936 294 HZ1 LYS 37 HZ1 LYS 37 11.694 -12.627 -4.913 295 HZ2 LYS 37 HZ2 LYS 37 10.794 -11.573 -5.883 296 HZ3 LYS 37 HZ3 LYS 37 10.013 -12.545 -4.741 297 H LYS 38 HN LYS 38 6.245 -9.447 -6.120 298 HA LYS 38 HA LYS 38 6.724 -11.117 -8.490 299 HB2 LYS 38 HB2 LYS 38 5.404 -11.749 -5.854 300 HB3 LYS 38 HB1 LYS 38 5.383 -12.838 -7.232 301 HG2 LYS 38 HG2 LYS 38 7.697 -13.197 -7.116 302 HG3 LYS 38 HG1 LYS 38 7.936 -11.813 -6.047 303 HD2 LYS 38 HD2 LYS 38 6.093 -13.911 -5.098 304 HD3 LYS 38 HD1 LYS 38 7.807 -14.340 -5.161 305 HE2 LYS 38 HE2 LYS 38 8.301 -12.285 -3.851 306 HE3 LYS 38 HE1 LYS 38 6.567 -12.009 -3.702 307 HZ1 LYS 38 HZ1 LYS 38 7.474 -13.111 -1.756 308 HZ2 LYS 38 HZ2 LYS 38 8.020 -14.397 -2.704 309 HZ3 LYS 38 HZ3 LYS 38 6.361 -14.111 -2.545 310 H SER 39 HN SER 39 3.747 -11.123 -6.607 311 HA SER 39 HA SER 39 2.328 -9.757 -8.762 312 HG SER 39 HG SER 39 2.504 -13.223 -9.574 313 HB2 SER 39 HB2 SER 39 1.606 -12.535 -7.798 314 HB3 SER 39 HB1 SER 39 0.652 -11.563 -8.920 315 H ALA 40 HN ALA 40 -0.183 -9.877 -8.089 316 HA ALA 40 HA ALA 40 -0.394 -8.312 -5.753 317 HB1 ALA 40 HB1 ALA 40 -2.924 -8.843 -6.161 318 HB2 ALA 40 HB2 ALA 40 -2.318 -9.512 -7.678 319 HB3 ALA 40 HB3 ALA 40 -2.028 -7.819 -7.282 320 H ASP 41 HN ASP 41 -0.430 -11.716 -6.256 321 HA ASP 41 HA ASP 41 -2.039 -12.524 -4.090 322 HB2 ASP 41 HB2 ASP 41 0.324 -14.019 -5.241 323 HB3 ASP 41 HB1 ASP 41 -1.044 -14.705 -4.372 324 H ASP 42 HN ASP 42 1.454 -11.946 -4.337 325 HA ASP 42 HA ASP 42 2.062 -12.739 -1.685 326 HB2 ASP 42 HB2 ASP 42 3.562 -10.906 -3.567 327 HB3 ASP 42 HB1 ASP 42 4.212 -11.563 -2.070 328 H VAL 43 HN VAL 43 1.689 -9.511 -3.146 329 HA VAL 43 HA VAL 43 2.063 -8.001 -0.840 330 HB VAL 43 HB VAL 43 0.807 -6.212 -1.957 331 HG11 VAL 43 HG11 VAL 43 2.689 -7.766 -3.725 332 HG12 VAL 43 HG12 VAL 43 3.108 -6.482 -2.591 333 HG13 VAL 43 HG13 VAL 43 2.170 -6.112 -4.038 334 HG21 VAL 43 HG21 VAL 43 0.067 -8.403 -3.879 335 HG22 VAL 43 HG22 VAL 43 -0.098 -6.688 -4.252 336 HG23 VAL 43 HG23 VAL 43 -1.016 -7.394 -2.922 337 H LYS 44 HN LYS 44 -0.792 -9.654 -2.036 338 HA LYS 44 HA LYS 44 -2.785 -8.508 -0.533 339 HB2 LYS 44 HB2 LYS 44 -2.370 -11.058 -1.864 340 HB3 LYS 44 HB1 LYS 44 -3.379 -11.225 -0.434 341 HG2 LYS 44 HG2 LYS 44 -4.813 -9.395 -1.323 342 HG3 LYS 44 HG1 LYS 44 -3.860 -9.434 -2.804 343 HD2 LYS 44 HD2 LYS 44 -5.963 -10.734 -2.945 344 HD3 LYS 44 HD1 LYS 44 -4.519 -11.703 -3.211 345 HE2 LYS 44 HE2 LYS 44 -4.634 -12.614 -1.005 346 HE3 LYS 44 HE1 LYS 44 -5.923 -11.497 -0.558 347 HZ1 LYS 44 HZ1 LYS 44 -6.117 -13.678 -2.565 348 HZ2 LYS 44 HZ2 LYS 44 -7.352 -12.582 -2.200 349 HZ3 LYS 44 HZ3 LYS 44 -6.818 -13.673 -1.025 350 H LYS 45 HN LYS 45 -0.219 -10.607 0.526 351 HA LYS 45 HA LYS 45 -1.332 -11.486 2.950 352 HB2 LYS 45 HB2 LYS 45 1.441 -11.236 1.871 353 HB3 LYS 45 HB1 LYS 45 1.239 -11.502 3.597 354 HG2 LYS 45 HG2 LYS 45 1.565 -13.605 2.446 355 HG3 LYS 45 HG1 LYS 45 -0.058 -13.525 3.130 356 HD2 LYS 45 HD2 LYS 45 -0.972 -12.944 0.953 357 HD3 LYS 45 HD1 LYS 45 0.649 -12.944 0.254 358 HE2 LYS 45 HE2 LYS 45 -0.587 -15.019 -0.228 359 HE3 LYS 45 HE1 LYS 45 0.881 -15.308 0.705 360 HZ1 LYS 45 HZ1 LYS 45 -0.465 -15.459 2.706 361 HZ2 LYS 45 HZ2 LYS 45 -0.975 -16.591 1.560 362 HZ3 LYS 45 HZ3 LYS 45 -1.873 -15.180 1.811 363 H VAL 46 HN VAL 46 0.834 -8.730 2.238 364 HA VAL 46 HA VAL 46 0.915 -7.691 4.800 365 HB VAL 46 HB VAL 46 2.323 -6.875 2.927 366 HG11 VAL 46 HG11 VAL 46 -0.272 -6.064 1.887 367 HG12 VAL 46 HG12 VAL 46 1.260 -6.349 1.071 368 HG13 VAL 46 HG13 VAL 46 0.950 -4.795 1.836 369 HG21 VAL 46 HG21 VAL 46 2.511 -4.661 3.748 370 HG22 VAL 46 HG22 VAL 46 1.987 -5.677 5.092 371 HG23 VAL 46 HG23 VAL 46 0.826 -4.642 4.265 372 H PHE 47 HN PHE 47 -1.593 -7.669 2.432 373 HA PHE 47 HA PHE 47 -3.130 -5.527 3.320 374 HD1 PHE 47 HD1 PHE 47 -5.874 -6.021 3.784 375 HD2 PHE 47 HD2 PHE 47 -4.683 -5.982 -0.288 376 HE1 PHE 47 HE1 PHE 47 -7.720 -4.504 3.281 377 HE2 PHE 47 HE2 PHE 47 -6.546 -4.456 -0.804 378 HZ PHE 47 HZ PHE 47 -8.057 -3.724 0.983 379 HB2 PHE 47 HB2 PHE 47 -3.369 -7.083 1.251 380 HB3 PHE 47 HB1 PHE 47 -4.421 -8.012 2.317 381 H HIS 48 HN HIS 48 -3.160 -8.940 4.245 382 HA HIS 48 HA HIS 48 -5.290 -8.688 6.110 383 HD1 HIS 48 HD1 HIS 48 -6.834 -11.351 5.527 384 HD2 HIS 48 HD2 HIS 48 -3.426 -11.200 3.156 385 HE1 HIS 48 HE1 HIS 48 -7.539 -12.235 3.280 386 HE2 HIS 48 HE2 HIS 48 -5.475 -12.077 1.843 387 HB2 HIS 48 HB2 HIS 48 -3.153 -10.826 5.915 388 HB3 HIS 48 HB1 HIS 48 -4.644 -10.944 6.845 389 H ILE 49 HN ILE 49 -1.759 -8.676 6.381 390 HA ILE 49 HA ILE 49 -1.471 -8.669 9.135 391 HB ILE 49 HB ILE 49 0.139 -6.855 7.350 392 HG12 ILE 49 HG12 ILE 49 0.164 -8.886 6.138 393 HG13 ILE 49 HG11 ILE 49 1.655 -8.885 7.067 394 HG21 ILE 49 HG21 ILE 49 0.812 -8.413 9.843 395 HG22 ILE 49 HG22 ILE 49 0.604 -6.667 9.713 396 HG23 ILE 49 HG23 ILE 49 1.958 -7.454 8.905 397 HD11 ILE 49 HD11 ILE 49 0.708 -10.409 8.668 398 HD12 ILE 49 HD12 ILE 49 0.535 -11.064 7.038 399 HD13 ILE 49 HD13 ILE 49 -0.854 -10.342 7.851 400 H LEU 50 HN LEU 50 -1.902 -5.912 6.950 401 HA LEU 50 HA LEU 50 -2.188 -4.038 9.100 402 HG LEU 50 HG LEU 50 -2.970 -4.776 5.590 403 HB2 LEU 50 HB2 LEU 50 -2.455 -2.425 7.330 404 HB3 LEU 50 HB1 LEU 50 -1.117 -3.486 6.973 405 HD11 LEU 50 HD11 LEU 50 -4.543 -3.285 4.538 406 HD12 LEU 50 HD12 LEU 50 -3.924 -1.920 5.468 407 HD13 LEU 50 HD13 LEU 50 -4.776 -3.228 6.284 408 HD21 LEU 50 HD21 LEU 50 -2.218 -3.552 3.617 409 HD22 LEU 50 HD22 LEU 50 -0.881 -3.887 4.717 410 HD23 LEU 50 HD23 LEU 50 -1.583 -2.272 4.650 411 H ASP 51 HN ASP 51 -4.334 -5.706 6.837 412 HA ASP 51 HA ASP 51 -6.638 -4.601 8.319 413 HB2 ASP 51 HB2 ASP 51 -6.106 -4.825 5.447 414 HB3 ASP 51 HB1 ASP 51 -7.671 -5.474 5.922 415 H LYS 52 HN LYS 52 -5.829 -6.626 9.617 416 HA LYS 52 HA LYS 52 -6.486 -9.178 8.563 417 HB2 LYS 52 HB2 LYS 52 -5.865 -10.081 10.655 418 HB3 LYS 52 HB1 LYS 52 -4.780 -8.740 10.345 419 HG2 LYS 52 HG2 LYS 52 -7.187 -8.518 12.127 420 HG3 LYS 52 HG1 LYS 52 -5.589 -8.973 12.695 421 HD2 LYS 52 HD2 LYS 52 -4.724 -6.836 11.701 422 HD3 LYS 52 HD1 LYS 52 -6.401 -6.367 11.423 423 HE2 LYS 52 HE2 LYS 52 -5.608 -5.398 13.491 424 HE3 LYS 52 HE1 LYS 52 -6.850 -6.604 13.822 425 HZ1 LYS 52 HZ1 LYS 52 -5.142 -8.181 14.417 426 HZ2 LYS 52 HZ2 LYS 52 -4.964 -6.778 15.342 427 HZ3 LYS 52 HZ3 LYS 52 -3.925 -7.068 14.039 428 H ASP 53 HN ASP 53 -8.100 -7.154 11.028 429 HA ASP 53 HA ASP 53 -10.527 -8.747 10.544 430 HB2 ASP 53 HB2 ASP 53 -9.623 -8.970 12.834 431 HB3 ASP 53 HB1 ASP 53 -9.778 -7.229 13.051 432 H LYS 54 HN LYS 54 -9.326 -6.016 9.467 433 HA LYS 54 HA LYS 54 -10.979 -3.942 10.207 434 HB2 LYS 54 HB2 LYS 54 -9.128 -3.495 8.819 435 HB3 LYS 54 HB1 LYS 54 -9.733 -4.541 7.542 436 HG2 LYS 54 HG2 LYS 54 -10.030 -2.182 6.992 437 HG3 LYS 54 HG1 LYS 54 -11.583 -3.003 7.151 438 HD2 LYS 54 HD2 LYS 54 -11.863 -2.091 9.381 439 HD3 LYS 54 HD1 LYS 54 -10.268 -1.341 9.300 440 HE2 LYS 54 HE2 LYS 54 -12.071 0.271 8.864 441 HE3 LYS 54 HE1 LYS 54 -10.999 0.081 7.477 442 HZ1 LYS 54 HZ1 LYS 54 -13.646 -1.230 7.796 443 HZ2 LYS 54 HZ2 LYS 54 -12.626 -1.375 6.456 444 HZ3 LYS 54 HZ3 LYS 54 -13.330 0.118 6.823 445 H SER 55 HN SER 55 -11.450 -5.586 7.113 446 HA SER 55 HA SER 55 -13.999 -6.567 7.453 447 HG SER 55 HG SER 55 -14.923 -4.018 8.832 448 HB2 SER 55 HB2 SER 55 -13.972 -3.629 6.975 449 HB3 SER 55 HB1 SER 55 -15.194 -4.580 6.132 450 H GLY 56 HN GLY 56 -11.647 -7.072 5.912 451 HA2 GLY 56 HA2 GLY 56 -11.108 -7.900 3.837 452 HA3 GLY 56 HA1 GLY 56 -12.824 -7.857 3.471 453 H PHE 57 HN PHE 57 -11.679 -4.806 4.374 454 HA PHE 57 HA PHE 57 -10.603 -3.955 1.899 455 HD1 PHE 57 HD1 PHE 57 -12.552 -0.855 2.500 456 HD2 PHE 57 HD2 PHE 57 -14.994 -4.290 2.803 457 HE1 PHE 57 HE1 PHE 57 -14.224 0.462 3.780 458 HE2 PHE 57 HE2 PHE 57 -16.669 -3.020 4.088 459 HZ PHE 57 HZ PHE 57 -16.284 -0.633 4.578 460 HB2 PHE 57 HB2 PHE 57 -12.366 -2.696 0.962 461 HB3 PHE 57 HB1 PHE 57 -13.095 -4.250 1.392 462 H ILE 58 HN ILE 58 -9.721 -1.904 2.009 463 HA ILE 58 HA ILE 58 -9.667 -0.773 4.734 464 HB ILE 58 HB ILE 58 -7.672 0.168 2.763 465 HG12 ILE 58 HG12 ILE 58 -7.419 -2.597 3.969 466 HG13 ILE 58 HG11 ILE 58 -7.846 -2.299 2.289 467 HG21 ILE 58 HG21 ILE 58 -6.206 -0.024 4.731 468 HG22 ILE 58 HG22 ILE 58 -7.539 -0.755 5.630 469 HG23 ILE 58 HG23 ILE 58 -7.662 0.912 5.073 470 HD11 ILE 58 HD11 ILE 58 -5.537 -2.805 2.362 471 HD12 ILE 58 HD12 ILE 58 -5.264 -1.655 3.666 472 HD13 ILE 58 HD13 ILE 58 -5.677 -1.075 2.056 473 H GLU 59 HN GLU 59 -9.915 1.334 5.124 474 HA GLU 59 HA GLU 59 -11.401 2.789 3.073 475 HB2 GLU 59 HB2 GLU 59 -11.334 2.736 6.042 476 HB3 GLU 59 HB1 GLU 59 -11.885 4.210 5.242 477 HG2 GLU 59 HG2 GLU 59 -13.606 2.909 4.077 478 HG3 GLU 59 HG1 GLU 59 -13.047 1.455 4.903 479 H GLU 60 HN GLU 60 -10.523 4.376 2.077 480 HA GLU 60 HA GLU 60 -7.992 5.310 2.162 481 HB2 GLU 60 HB2 GLU 60 -8.799 7.288 0.989 482 HB3 GLU 60 HB1 GLU 60 -9.593 5.836 0.404 483 HG2 GLU 60 HG2 GLU 60 -11.603 6.377 1.376 484 HG3 GLU 60 HG1 GLU 60 -10.844 7.438 2.559 485 H ASP 61 HN ASP 61 -10.620 6.307 4.250 486 HA ASP 61 HA ASP 61 -9.325 8.609 5.308 487 HB2 ASP 61 HB2 ASP 61 -11.558 6.902 6.439 488 HB3 ASP 61 HB1 ASP 61 -11.072 8.474 7.075 489 H GLU 62 HN GLU 62 -9.847 5.347 6.619 490 HA GLU 62 HA GLU 62 -8.095 5.801 8.855 491 HB2 GLU 62 HB2 GLU 62 -10.015 4.241 8.980 492 HB3 GLU 62 HB1 GLU 62 -9.237 3.208 7.789 493 HG2 GLU 62 HG2 GLU 62 -7.390 2.812 9.323 494 HG3 GLU 62 HG1 GLU 62 -8.147 3.866 10.515 495 H LEU 63 HN LEU 63 -7.738 4.862 5.600 496 HA LEU 63 HA LEU 63 -5.626 3.186 5.456 497 HG LEU 63 HG LEU 63 -5.879 3.815 1.930 498 HB2 LEU 63 HB2 LEU 63 -7.010 4.832 3.792 499 HB3 LEU 63 HB1 LEU 63 -5.379 5.448 3.655 500 HD11 LEU 63 HD11 LEU 63 -3.882 2.884 3.978 501 HD12 LEU 63 HD12 LEU 63 -3.586 3.969 2.619 502 HD13 LEU 63 HD13 LEU 63 -3.977 2.274 2.326 503 HD21 LEU 63 HD21 LEU 63 -5.858 1.411 3.435 504 HD22 LEU 63 HD22 LEU 63 -7.088 2.019 2.326 505 HD23 LEU 63 HD23 LEU 63 -7.151 2.452 4.034 506 H GLY 64 HN GLY 64 -5.457 6.681 5.770 507 HA2 GLY 64 HA2 GLY 64 -2.697 6.976 5.794 508 HA3 GLY 64 HA1 GLY 64 -3.826 8.066 6.602 509 H SER 65 HN SER 65 -4.837 5.853 8.283 510 HA SER 65 HA SER 65 -2.860 6.059 10.374 511 HG SER 65 HG SER 65 -6.357 6.396 11.192 512 HB2 SER 65 HB2 SER 65 -5.512 4.591 10.315 513 HB3 SER 65 HB1 SER 65 -4.530 4.880 11.750 514 H ILE 66 HN ILE 66 -4.584 3.317 8.904 515 HA ILE 66 HA ILE 66 -2.949 1.305 9.915 516 HB ILE 66 HB ILE 66 -5.121 0.860 8.900 517 HG12 ILE 66 HG12 ILE 66 -4.578 -1.192 7.799 518 HG13 ILE 66 HG11 ILE 66 -2.989 -0.574 7.370 519 HG21 ILE 66 HG21 ILE 66 -3.803 1.374 6.250 520 HG22 ILE 66 HG22 ILE 66 -4.892 2.495 7.066 521 HG23 ILE 66 HG23 ILE 66 -5.485 0.921 6.534 522 HD11 ILE 66 HD11 ILE 66 -3.941 -1.144 10.159 523 HD12 ILE 66 HD12 ILE 66 -2.338 -0.564 9.709 524 HD13 ILE 66 HD13 ILE 66 -2.870 -2.168 9.205 525 H LEU 67 HN LEU 67 -2.279 3.616 7.457 526 HA LEU 67 HA LEU 67 -0.599 2.443 5.676 527 HG LEU 67 HG LEU 67 -0.485 5.913 4.648 528 HB2 LEU 67 HB2 LEU 67 -1.022 5.049 6.800 529 HB3 LEU 67 HB1 LEU 67 0.693 4.802 6.551 530 HD11 LEU 67 HD11 LEU 67 1.631 4.823 4.280 531 HD12 LEU 67 HD12 LEU 67 0.570 4.524 2.902 532 HD13 LEU 67 HD13 LEU 67 0.831 3.261 4.106 533 HD21 LEU 67 HD21 LEU 67 -2.553 4.988 4.370 534 HD22 LEU 67 HD22 LEU 67 -1.991 3.351 4.693 535 HD23 LEU 67 HD23 LEU 67 -1.652 4.107 3.137 536 H LYS 68 HN LYS 68 0.313 3.515 8.958 537 HA LYS 68 HA LYS 68 2.997 3.033 8.803 538 HB2 LYS 68 HB2 LYS 68 2.713 2.468 11.348 539 HB3 LYS 68 HB1 LYS 68 2.467 4.081 10.700 540 HG2 LYS 68 HG2 LYS 68 0.769 3.337 12.357 541 HG3 LYS 68 HG1 LYS 68 0.154 3.911 10.807 542 HD2 LYS 68 HD2 LYS 68 -1.058 1.927 11.486 543 HD3 LYS 68 HD1 LYS 68 -0.072 1.560 10.073 544 HE2 LYS 68 HE2 LYS 68 1.610 0.527 11.488 545 HE3 LYS 68 HE1 LYS 68 0.686 0.954 12.928 546 HZ1 LYS 68 HZ1 LYS 68 0.326 -1.347 12.313 547 HZ2 LYS 68 HZ2 LYS 68 -0.207 -0.888 10.776 548 HZ3 LYS 68 HZ3 LYS 68 -1.109 -0.467 12.142 549 H GLY 69 HN GLY 69 0.609 0.558 8.577 550 HA2 GLY 69 HA2 GLY 69 1.800 -1.633 9.719 551 HA3 GLY 69 HA1 GLY 69 0.984 -1.693 8.159 552 H PHE 70 HN PHE 70 2.464 -0.391 6.462 553 HA PHE 70 HA PHE 70 5.032 -1.803 6.428 554 HD1 PHE 70 HD2 PHE 70 1.526 -1.841 4.717 555 HD2 PHE 70 HD1 PHE 70 4.154 1.191 3.296 556 HE1 PHE 70 HE2 PHE 70 -0.403 -0.565 3.880 557 HE2 PHE 70 HE1 PHE 70 2.227 2.471 2.455 558 HZ PHE 70 HZ PHE 70 -0.055 1.594 2.747 559 HB2 PHE 70 HB2 PHE 70 5.007 -0.891 3.992 560 HB3 PHE 70 HB1 PHE 70 3.952 -2.240 4.398 561 H SER 71 HN SER 71 3.507 1.281 6.146 562 HA SER 71 HA SER 71 5.796 2.897 5.785 563 HG SER 71 HG SER 71 4.363 5.616 5.610 564 HB2 SER 71 HB2 SER 71 3.747 3.732 4.948 565 HB3 SER 71 HB1 SER 71 2.937 3.507 6.500 566 H SER 72 HN SER 72 5.024 1.209 8.488 567 HA SER 72 HA SER 72 4.945 2.903 10.627 568 HG SER 72 HG SER 72 4.120 0.168 11.271 569 HB2 SER 72 HB2 SER 72 5.941 0.186 10.182 570 HB3 SER 72 HB1 SER 72 6.748 1.010 11.514 571 H ASP 73 HN ASP 73 7.630 2.402 8.471 572 HA ASP 73 HA ASP 73 9.216 4.296 10.077 573 HB2 ASP 73 HB2 ASP 73 10.281 2.170 8.227 574 HB3 ASP 73 HB1 ASP 73 11.219 3.289 9.210 575 H ALA 74 HN ALA 74 7.199 4.743 7.949 576 HA ALA 74 HA ALA 74 8.852 6.378 6.156 577 HB1 ALA 74 HB1 ALA 74 6.381 5.062 5.101 578 HB2 ALA 74 HB2 ALA 74 7.895 4.163 5.142 579 HB3 ALA 74 HB3 ALA 74 7.788 5.667 4.227 580 H ARG 75 HN ARG 75 6.510 7.324 4.689 581 HA ARG 75 HA ARG 75 5.418 9.086 6.761 582 HE ARG 75 HE ARG 75 5.102 12.585 3.425 583 HB2 ARG 75 HB2 ARG 75 5.591 9.386 3.766 584 HB3 ARG 75 HB1 ARG 75 4.709 10.501 4.804 585 HG2 ARG 75 HG2 ARG 75 6.831 10.919 6.040 586 HG3 ARG 75 HG1 ARG 75 7.665 9.935 4.834 587 HD2 ARG 75 HD2 ARG 75 7.786 12.381 4.403 588 HD3 ARG 75 HD1 ARG 75 7.060 11.455 3.084 589 HH11 ARG 75 HH11 ARG 75 7.141 12.995 6.219 590 HH12 ARG 75 HH12 ARG 75 6.104 14.163 6.966 591 HH21 ARG 75 HH21 ARG 75 3.729 14.122 4.397 592 HH22 ARG 75 HH22 ARG 75 4.161 14.805 5.929 593 H ASP 76 HN ASP 76 3.148 9.867 6.363 594 HA ASP 76 HA ASP 76 1.436 7.523 5.935 595 HB2 ASP 76 HB2 ASP 76 0.853 10.189 7.244 596 HB3 ASP 76 HB1 ASP 76 -0.286 8.851 7.120 597 H LEU 77 HN LEU 77 -0.658 7.838 4.897 598 HA LEU 77 HA LEU 77 -0.386 9.156 2.358 599 HG LEU 77 HG LEU 77 -2.211 8.204 0.674 600 HB2 LEU 77 HB2 LEU 77 -1.888 7.035 3.436 601 HB3 LEU 77 HB1 LEU 77 -3.062 8.243 2.943 602 HD11 LEU 77 HD11 LEU 77 -0.501 6.494 0.049 603 HD12 LEU 77 HD12 LEU 77 -0.191 6.257 1.770 604 HD13 LEU 77 HD13 LEU 77 0.122 7.824 1.024 605 HD21 LEU 77 HD21 LEU 77 -2.573 5.368 1.603 606 HD22 LEU 77 HD22 LEU 77 -2.981 6.059 0.034 607 HD23 LEU 77 HD23 LEU 77 -3.898 6.525 1.465 608 H SER 78 HN SER 78 -0.999 11.190 1.884 609 HA SER 78 HA SER 78 -2.723 12.593 3.809 610 HG SER 78 HG SER 78 -1.317 15.684 2.811 611 HB2 SER 78 HB2 SER 78 -0.544 13.641 3.403 612 HB3 SER 78 HB1 SER 78 -0.881 13.699 1.674 613 H ALA 79 HN ALA 79 -3.635 14.658 2.243 614 HA ALA 79 HA ALA 79 -5.945 13.678 1.095 615 HB1 ALA 79 HB1 ALA 79 -6.240 15.856 0.113 616 HB2 ALA 79 HB2 ALA 79 -4.512 16.190 0.250 617 HB3 ALA 79 HB3 ALA 79 -5.500 16.049 1.706 618 H LYS 80 HN LYS 80 -2.964 14.664 -0.541 619 HA LYS 80 HA LYS 80 -3.722 14.051 -3.161 620 HB2 LYS 80 HB2 LYS 80 -1.002 14.055 -1.848 621 HB3 LYS 80 HB1 LYS 80 -1.252 13.924 -3.586 622 HG2 LYS 80 HG2 LYS 80 -2.329 16.117 -3.601 623 HG3 LYS 80 HG1 LYS 80 -2.084 16.248 -1.858 624 HD2 LYS 80 HD2 LYS 80 0.312 16.207 -2.146 625 HD3 LYS 80 HD1 LYS 80 0.133 15.918 -3.878 626 HE2 LYS 80 HE2 LYS 80 -0.941 18.096 -4.135 627 HE3 LYS 80 HE1 LYS 80 -0.785 18.383 -2.402 628 HZ1 LYS 80 HZ1 LYS 80 1.491 17.981 -4.269 629 HZ2 LYS 80 HZ2 LYS 80 1.602 18.347 -2.621 630 HZ3 LYS 80 HZ3 LYS 80 0.959 19.482 -3.696 631 H GLU 81 HN GLU 81 -1.749 12.111 -0.924 632 HA GLU 81 HA GLU 81 -1.558 9.867 -2.629 633 HB2 GLU 81 HB2 GLU 81 -1.256 9.982 0.377 634 HB3 GLU 81 HB1 GLU 81 -0.648 8.711 -0.673 635 HG2 GLU 81 HG2 GLU 81 1.124 9.933 -1.360 636 HG3 GLU 81 HG1 GLU 81 0.241 11.457 -1.292 637 H THR 82 HN THR 82 -3.857 10.729 -0.090 638 HA THR 82 HA THR 82 -5.085 8.208 0.134 639 HB THR 82 HB THR 82 -6.325 10.963 0.392 640 HG1 THR 82 HG1 THR 82 -5.965 10.540 2.657 641 HG21 THR 82 HG21 THR 82 -7.933 9.045 0.070 642 HG22 THR 82 HG22 THR 82 -8.127 9.961 1.564 643 HG23 THR 82 HG23 THR 82 -7.325 8.390 1.590 644 H LYS 83 HN LYS 83 -5.787 11.019 -1.865 645 HA LYS 83 HA LYS 83 -7.788 9.746 -3.435 646 HB2 LYS 83 HB2 LYS 83 -6.232 12.290 -3.919 647 HB3 LYS 83 HB1 LYS 83 -7.639 11.775 -4.839 648 HG2 LYS 83 HG2 LYS 83 -7.564 12.475 -1.914 649 HG3 LYS 83 HG1 LYS 83 -8.291 13.423 -3.213 650 HD2 LYS 83 HD2 LYS 83 -9.159 10.695 -2.261 651 HD3 LYS 83 HD1 LYS 83 -10.017 12.219 -2.023 652 HE2 LYS 83 HE2 LYS 83 -10.265 12.433 -4.462 653 HE3 LYS 83 HE1 LYS 83 -9.456 10.880 -4.667 654 HZ1 LYS 83 HZ1 LYS 83 -11.835 10.608 -4.774 655 HZ2 LYS 83 HZ2 LYS 83 -12.032 11.340 -3.264 656 HZ3 LYS 83 HZ3 LYS 83 -11.247 9.847 -3.382 657 H THR 84 HN THR 84 -4.321 9.952 -3.588 658 HA THR 84 HA THR 84 -4.236 9.254 -6.382 659 HB THR 84 HB THR 84 -1.978 9.503 -4.420 660 HG1 THR 84 HG1 THR 84 -3.269 11.439 -5.137 661 HG21 THR 84 HG21 THR 84 -0.532 9.547 -6.407 662 HG22 THR 84 HG22 THR 84 -1.933 9.217 -7.425 663 HG23 THR 84 HG23 THR 84 -1.387 8.013 -6.257 664 H LEU 85 HN LEU 85 -3.096 7.760 -3.392 665 HA LEU 85 HA LEU 85 -2.445 5.306 -4.659 666 HG LEU 85 HG LEU 85 -0.183 5.706 -1.810 667 HB2 LEU 85 HB2 LEU 85 -2.527 6.255 -1.841 668 HB3 LEU 85 HB1 LEU 85 -2.332 4.546 -2.186 669 HD11 LEU 85 HD11 LEU 85 0.954 4.828 -3.802 670 HD12 LEU 85 HD12 LEU 85 -0.611 4.639 -4.593 671 HD13 LEU 85 HD13 LEU 85 -0.232 3.693 -3.154 672 HD21 LEU 85 HD21 LEU 85 -0.687 7.886 -2.683 673 HD22 LEU 85 HD22 LEU 85 -0.977 7.222 -4.290 674 HD23 LEU 85 HD23 LEU 85 0.648 7.202 -3.609 675 H MET 86 HN MET 86 -5.170 6.204 -2.478 676 HA MET 86 HA MET 86 -6.227 3.526 -2.779 677 HB2 MET 86 HB2 MET 86 -7.879 5.706 -1.594 678 HB3 MET 86 HB1 MET 86 -7.739 4.019 -1.135 679 HG2 MET 86 HG2 MET 86 -5.877 6.275 -0.495 680 HG3 MET 86 HG1 MET 86 -6.712 5.182 0.605 681 HE1 MET 86 HE1 MET 86 -4.837 1.836 -0.697 682 HE2 MET 86 HE2 MET 86 -6.416 2.598 -0.898 683 HE3 MET 86 HE3 MET 86 -5.780 2.302 0.719 684 H ALA 87 HN ALA 87 -7.302 6.788 -3.763 685 HA ALA 87 HA ALA 87 -9.590 5.924 -5.138 686 HB1 ALA 87 HB1 ALA 87 -8.327 8.243 -6.354 687 HB2 ALA 87 HB2 ALA 87 -8.453 8.355 -4.595 688 HB3 ALA 87 HB3 ALA 87 -9.897 8.081 -5.571 689 H ALA 88 HN ALA 88 -6.198 5.964 -6.178 690 HA ALA 88 HA ALA 88 -6.935 5.408 -8.925 691 HB1 ALA 88 HB1 ALA 88 -4.601 5.364 -9.402 692 HB2 ALA 88 HB2 ALA 88 -4.194 5.198 -7.696 693 HB3 ALA 88 HB3 ALA 88 -4.882 6.706 -8.295 694 H GLY 89 HN GLY 89 -5.167 3.640 -6.368 695 HA2 GLY 89 HA2 GLY 89 -5.051 1.185 -7.663 696 HA3 GLY 89 HA1 GLY 89 -5.037 1.381 -5.938 697 H ASP 90 HN ASP 90 -7.651 2.727 -6.001 698 HA ASP 90 HA ASP 90 -9.307 0.335 -6.170 699 HB2 ASP 90 HB2 ASP 90 -9.395 1.575 -4.049 700 HB3 ASP 90 HB1 ASP 90 -9.907 3.023 -4.904 701 H LYS 91 HN LYS 91 -8.548 1.464 -8.596 702 HA LYS 91 HA LYS 91 -9.910 3.318 -9.871 703 HB2 LYS 91 HB2 LYS 91 -10.103 1.662 -11.861 704 HB3 LYS 91 HB1 LYS 91 -8.537 2.218 -11.303 705 HG2 LYS 91 HG2 LYS 91 -8.328 -0.082 -11.680 706 HG3 LYS 91 HG1 LYS 91 -8.456 0.087 -9.929 707 HD2 LYS 91 HD2 LYS 91 -10.888 -0.317 -10.171 708 HD3 LYS 91 HD1 LYS 91 -10.611 -0.728 -11.857 709 HE2 LYS 91 HE2 LYS 91 -9.123 -2.538 -11.179 710 HE3 LYS 91 HE1 LYS 91 -9.367 -2.118 -9.483 711 HZ1 LYS 91 HZ1 LYS 91 -11.694 -2.676 -9.703 712 HZ2 LYS 91 HZ2 LYS 91 -10.744 -3.992 -10.179 713 HZ3 LYS 91 HZ3 LYS 91 -11.495 -3.025 -11.346 714 H ASP 92 HN ASP 92 -11.591 0.523 -8.598 715 HA ASP 92 HA ASP 92 -13.915 0.689 -10.124 716 HB2 ASP 92 HB2 ASP 92 -13.510 -1.134 -8.535 717 HB3 ASP 92 HB1 ASP 92 -13.638 -0.006 -7.189 718 H GLY 93 HN GLY 93 -12.619 2.835 -7.768 719 HA2 GLY 93 HA2 GLY 93 -13.251 4.954 -7.174 720 HA3 GLY 93 HA1 GLY 93 -14.590 4.821 -8.308 721 H ASP 94 HN ASP 94 -13.688 3.112 -5.298 722 HA ASP 94 HA ASP 94 -16.423 3.648 -4.346 723 HB2 ASP 94 HB2 ASP 94 -15.797 1.242 -4.736 724 HB3 ASP 94 HB1 ASP 94 -14.608 1.406 -3.446 725 H GLY 95 HN GLY 95 -13.178 4.447 -3.818 726 HA2 GLY 95 HA2 GLY 95 -12.500 6.058 -2.222 727 HA3 GLY 95 HA1 GLY 95 -13.910 5.647 -1.263 728 H LYS 96 HN LYS 96 -13.076 2.744 -1.751 729 HA LYS 96 HA LYS 96 -10.991 2.620 0.316 730 HB2 LYS 96 HB2 LYS 96 -13.415 0.815 0.034 731 HB3 LYS 96 HB1 LYS 96 -12.076 0.506 1.102 732 HG2 LYS 96 HG2 LYS 96 -12.991 1.737 2.676 733 HG3 LYS 96 HG1 LYS 96 -12.973 3.144 1.612 734 HD2 LYS 96 HD2 LYS 96 -15.123 1.054 1.442 735 HD3 LYS 96 HD1 LYS 96 -15.228 2.406 2.571 736 HE2 LYS 96 HE2 LYS 96 -14.937 3.957 0.658 737 HE3 LYS 96 HE1 LYS 96 -14.984 2.566 -0.427 738 HZ1 LYS 96 HZ1 LYS 96 -17.171 3.421 1.393 739 HZ2 LYS 96 HZ2 LYS 96 -17.217 2.070 0.376 740 HZ3 LYS 96 HZ3 LYS 96 -17.142 3.627 -0.286 741 H ILE 97 HN ILE 97 -9.407 1.079 0.080 742 HA ILE 97 HA ILE 97 -9.425 -0.327 -2.496 743 HB ILE 97 HB ILE 97 -7.270 0.873 -0.855 744 HG12 ILE 97 HG12 ILE 97 -7.842 0.390 -3.770 745 HG13 ILE 97 HG11 ILE 97 -7.792 1.917 -2.903 746 HG21 ILE 97 HG21 ILE 97 -5.546 -0.691 -1.956 747 HG22 ILE 97 HG22 ILE 97 -6.885 -1.826 -2.117 748 HG23 ILE 97 HG23 ILE 97 -6.396 -1.264 -0.525 749 HD11 ILE 97 HD11 ILE 97 -5.890 1.822 -4.295 750 HD12 ILE 97 HD12 ILE 97 -5.478 0.198 -3.743 751 HD13 ILE 97 HD13 ILE 97 -5.323 1.570 -2.643 752 H GLY 98 HN GLY 98 -10.163 -2.316 -2.356 753 HA2 GLY 98 HA2 GLY 98 -9.745 -3.789 0.139 754 HA3 GLY 98 HA1 GLY 98 -10.965 -4.164 -1.058 755 H VAL 99 HN VAL 99 -9.898 -6.332 -0.557 756 HA VAL 99 HA VAL 99 -7.309 -6.963 -1.377 757 HB VAL 99 HB VAL 99 -8.805 -8.441 -0.036 758 HG11 VAL 99 HG11 VAL 99 -10.438 -9.824 -1.075 759 HG12 VAL 99 HG12 VAL 99 -9.986 -9.257 -2.682 760 HG13 VAL 99 HG13 VAL 99 -10.785 -8.161 -1.554 761 HG21 VAL 99 HG21 VAL 99 -7.522 -9.659 -2.478 762 HG22 VAL 99 HG22 VAL 99 -7.986 -10.546 -1.025 763 HG23 VAL 99 HG23 VAL 99 -6.737 -9.304 -0.940 764 H GLU 100 HN GLU 100 -10.223 -6.573 -3.277 765 HA GLU 100 HA GLU 100 -9.237 -7.912 -5.600 766 HB2 GLU 100 HB2 GLU 100 -11.276 -5.905 -6.125 767 HB3 GLU 100 HB1 GLU 100 -11.285 -7.624 -6.478 768 HG2 GLU 100 HG2 GLU 100 -11.906 -8.039 -4.122 769 HG3 GLU 100 HG1 GLU 100 -11.972 -6.292 -3.895 770 H GLU 101 HN GLU 101 -9.840 -4.504 -4.848 771 HA GLU 101 HA GLU 101 -8.588 -3.526 -7.188 772 HB2 GLU 101 HB2 GLU 101 -9.709 -2.362 -4.713 773 HB3 GLU 101 HB1 GLU 101 -8.565 -1.374 -5.603 774 HG2 GLU 101 HG2 GLU 101 -10.984 -1.040 -6.182 775 HG3 GLU 101 HG1 GLU 101 -9.917 -1.373 -7.550 776 H PHE 102 HN PHE 102 -7.305 -4.513 -4.127 777 HA PHE 102 HA PHE 102 -5.009 -2.987 -3.887 778 HD1 PHE 102 HD2 PHE 102 -5.177 -2.988 -1.185 779 HD2 PHE 102 HD1 PHE 102 -2.556 -5.904 -2.793 780 HE1 PHE 102 HE2 PHE 102 -3.429 -2.268 0.389 781 HE2 PHE 102 HE1 PHE 102 -0.786 -5.204 -1.217 782 HZ PHE 102 HZ PHE 102 -1.229 -3.375 0.375 783 HB2 PHE 102 HB2 PHE 102 -5.955 -5.057 -2.506 784 HB3 PHE 102 HB1 PHE 102 -4.742 -5.912 -3.443 785 H SER 103 HN SER 103 -5.415 -6.001 -5.740 786 HA SER 103 HA SER 103 -2.848 -6.106 -6.822 787 HG SER 103 HG SER 103 -4.022 -7.243 -9.676 788 HB2 SER 103 HB2 SER 103 -4.443 -7.972 -7.011 789 HB3 SER 103 HB1 SER 103 -5.454 -7.009 -8.088 790 H THR 104 HN THR 104 -5.631 -4.183 -7.637 791 HA THR 104 HA THR 104 -4.719 -3.300 -10.179 792 HB THR 104 HB THR 104 -6.623 -1.787 -8.372 793 HG1 THR 104 HG1 THR 104 -7.110 -3.970 -10.144 794 HG21 THR 104 HG21 THR 104 -7.420 -1.644 -11.023 795 HG22 THR 104 HG22 THR 104 -5.664 -1.511 -11.100 796 HG23 THR 104 HG23 THR 104 -6.593 -0.383 -10.111 797 H LEU 105 HN LEU 105 -4.441 -2.048 -6.883 798 HA LEU 105 HA LEU 105 -3.257 0.415 -7.480 799 HG LEU 105 HG LEU 105 -3.335 1.647 -5.053 800 HB2 LEU 105 HB2 LEU 105 -4.052 -0.585 -5.211 801 HB3 LEU 105 HB1 LEU 105 -2.423 -1.212 -5.101 802 HD11 LEU 105 HD11 LEU 105 -1.550 0.012 -3.276 803 HD12 LEU 105 HD12 LEU 105 -3.208 0.484 -2.939 804 HD13 LEU 105 HD13 LEU 105 -1.947 1.710 -3.043 805 HD21 LEU 105 HD21 LEU 105 -0.918 2.266 -5.132 806 HD22 LEU 105 HD22 LEU 105 -1.589 1.692 -6.659 807 HD23 LEU 105 HD23 LEU 105 -0.578 0.623 -5.683 808 H VAL 106 HN VAL 106 -1.929 -2.817 -7.133 809 HA VAL 106 HA VAL 106 0.802 -2.188 -7.254 810 HB VAL 106 HB VAL 106 -0.569 -4.669 -8.308 811 HG11 VAL 106 HG11 VAL 106 1.728 -4.402 -9.116 812 HG12 VAL 106 HG12 VAL 106 1.585 -5.757 -7.995 813 HG13 VAL 106 HG13 VAL 106 2.290 -4.235 -7.452 814 HG21 VAL 106 HG21 VAL 106 -1.135 -4.260 -5.976 815 HG22 VAL 106 HG22 VAL 106 0.574 -4.091 -5.578 816 HG23 VAL 106 HG23 VAL 106 -0.054 -5.646 -6.121 817 H ALA 107 HN ALA 107 -1.460 -3.153 -9.829 818 HA ALA 107 HA ALA 107 0.364 -2.827 -11.956 819 HB1 ALA 107 HB1 ALA 107 -2.647 -2.644 -12.027 820 HB2 ALA 107 HB2 ALA 107 -1.709 -4.133 -12.144 821 HB3 ALA 107 HB3 ALA 107 -1.586 -2.909 -13.409 822 H GLU 108 HN GLU 108 -1.846 -0.633 -10.332 823 HA GLU 108 HA GLU 108 -1.893 1.502 -12.080 824 HB2 GLU 108 HB2 GLU 108 -1.938 1.361 -9.084 825 HB3 GLU 108 HB1 GLU 108 -1.995 2.909 -9.918 826 HG2 GLU 108 HG2 GLU 108 -3.904 0.709 -10.571 827 HG3 GLU 108 HG1 GLU 108 -4.213 1.850 -9.264 828 H SER 109 HN SER 109 0.181 1.360 -9.211 829 HA SER 109 HA SER 109 1.890 3.417 -9.747 830 HG SER 109 HG SER 109 4.341 1.923 -7.640 831 HB2 SER 109 HB2 SER 109 2.222 2.423 -7.661 832 HB3 SER 109 HB1 SER 109 2.309 0.798 -8.338 Start of MODEL 18 1 HA SER 1 HA SER 1 5.706 -7.059 9.093 2 HG SER 1 HG SER 1 7.365 -4.645 7.570 3 H1 SER 1 HT1 SER 1 8.267 -8.529 8.854 4 H2 SER 1 HT2 SER 1 6.735 -9.223 9.034 5 H3 SER 1 HT3 SER 1 7.394 -8.294 10.285 6 HB2 SER 1 HB2 SER 1 7.540 -5.812 10.106 7 HB3 SER 1 HB1 SER 1 8.539 -6.071 8.675 8 H MET 2 HN MET 2 5.585 -9.013 7.340 9 HA MET 2 HA MET 2 5.161 -9.476 5.154 10 HB2 MET 2 HB2 MET 2 4.146 -7.189 5.221 11 HB3 MET 2 HB1 MET 2 5.682 -6.536 4.676 12 HG2 MET 2 HG2 MET 2 3.872 -6.865 2.934 13 HG3 MET 2 HG1 MET 2 5.475 -7.497 2.562 14 HE1 MET 2 HE1 MET 2 3.280 -9.907 5.100 15 HE2 MET 2 HE2 MET 2 1.906 -9.955 3.997 16 HE3 MET 2 HE3 MET 2 2.484 -8.411 4.619 17 H THR 3 HN THR 3 7.705 -9.934 6.139 18 HA THR 3 HA THR 3 9.552 -9.116 4.019 19 HB THR 3 HB THR 3 11.287 -10.214 5.483 20 HG1 THR 3 HG1 THR 3 10.484 -11.425 7.019 21 HG21 THR 3 HG21 THR 3 10.727 -7.752 5.492 22 HG22 THR 3 HG22 THR 3 11.470 -8.363 6.970 23 HG23 THR 3 HG23 THR 3 9.732 -8.064 6.915 24 H ASP 4 HN ASP 4 7.923 -11.916 5.326 25 HA ASP 4 HA ASP 4 9.455 -13.918 4.078 26 HB2 ASP 4 HB2 ASP 4 7.913 -14.450 5.879 27 HB3 ASP 4 HB1 ASP 4 6.544 -13.935 4.897 28 H LEU 5 HN LEU 5 7.197 -11.671 2.788 29 HA LEU 5 HA LEU 5 7.135 -13.205 0.273 30 HG LEU 5 HG LEU 5 5.083 -14.252 1.046 31 HB2 LEU 5 HB2 LEU 5 5.080 -11.266 1.337 32 HB3 LEU 5 HB1 LEU 5 5.037 -11.997 -0.255 33 HD11 LEU 5 HD11 LEU 5 4.005 -14.156 3.222 34 HD12 LEU 5 HD12 LEU 5 4.005 -12.393 3.159 35 HD13 LEU 5 HD13 LEU 5 5.530 -13.272 3.237 36 HD21 LEU 5 HD21 LEU 5 2.683 -14.301 1.056 37 HD22 LEU 5 HD22 LEU 5 3.229 -13.360 -0.332 38 HD23 LEU 5 HD23 LEU 5 2.606 -12.540 1.099 39 H LEU 6 HN LEU 6 6.592 -9.839 1.303 40 HA LEU 6 HA LEU 6 7.656 -8.794 -1.138 41 HG LEU 6 HG LEU 6 4.964 -8.238 0.756 42 HB2 LEU 6 HB2 LEU 6 7.057 -7.387 1.465 43 HB3 LEU 6 HB1 LEU 6 7.352 -6.603 -0.076 44 HD11 LEU 6 HD11 LEU 6 5.499 -5.405 0.024 45 HD12 LEU 6 HD12 LEU 6 4.504 -6.078 1.307 46 HD13 LEU 6 HD13 LEU 6 3.923 -6.103 -0.348 47 HD21 LEU 6 HD21 LEU 6 5.445 -9.065 -1.407 48 HD22 LEU 6 HD22 LEU 6 5.838 -7.455 -2.010 49 HD23 LEU 6 HD23 LEU 6 4.175 -7.859 -1.597 50 H SER 7 HN SER 7 9.596 -7.752 -1.499 51 HA SER 7 HA SER 7 11.865 -8.728 -0.293 52 HG SER 7 HG SER 7 10.689 -5.588 -1.311 53 HB2 SER 7 HB2 SER 7 12.919 -6.514 -1.219 54 HB3 SER 7 HB1 SER 7 12.251 -7.698 -2.344 55 H ALA 8 HN ALA 8 12.379 -8.571 1.818 56 HA ALA 8 HA ALA 8 11.322 -6.663 3.586 57 HB1 ALA 8 HB1 ALA 8 12.671 -7.644 5.255 58 HB2 ALA 8 HB2 ALA 8 13.840 -8.228 4.073 59 HB3 ALA 8 HB3 ALA 8 12.234 -8.947 4.150 60 H GLU 9 HN GLU 9 14.494 -6.823 2.009 61 HA GLU 9 HA GLU 9 15.484 -4.495 3.337 62 HB2 GLU 9 HB2 GLU 9 17.185 -5.906 2.635 63 HB3 GLU 9 HB1 GLU 9 16.409 -6.256 1.100 64 HG2 GLU 9 HG2 GLU 9 16.994 -4.022 0.299 65 HG3 GLU 9 HG1 GLU 9 17.795 -3.686 1.838 66 H ASP 10 HN ASP 10 14.304 -5.123 0.044 67 HA ASP 10 HA ASP 10 14.653 -2.644 -1.089 68 HB2 ASP 10 HB2 ASP 10 13.696 -4.873 -2.048 69 HB3 ASP 10 HB1 ASP 10 12.146 -4.191 -1.587 70 H ILE 11 HN ILE 11 11.871 -3.771 0.811 71 HA ILE 11 HA ILE 11 10.294 -1.461 0.671 72 HB ILE 11 HB ILE 11 10.566 -3.411 2.962 73 HG12 ILE 11 HG12 ILE 11 8.310 -3.468 1.025 74 HG13 ILE 11 HG11 ILE 11 9.852 -4.161 0.536 75 HG21 ILE 11 HG21 ILE 11 8.527 -2.637 3.822 76 HG22 ILE 11 HG22 ILE 11 8.159 -1.720 2.362 77 HG23 ILE 11 HG23 ILE 11 9.445 -1.179 3.446 78 HD11 ILE 11 HD11 ILE 11 8.480 -5.898 1.415 79 HD12 ILE 11 HD12 ILE 11 8.139 -4.965 2.871 80 HD13 ILE 11 HD13 ILE 11 9.766 -5.582 2.581 81 H LYS 12 HN LYS 12 12.864 -2.329 2.971 82 HA LYS 12 HA LYS 12 12.567 -0.082 4.626 83 HB2 LYS 12 HB2 LYS 12 15.039 -1.713 4.011 84 HB3 LYS 12 HB1 LYS 12 14.927 -0.530 5.305 85 HG2 LYS 12 HG2 LYS 12 13.172 -1.847 6.368 86 HG3 LYS 12 HG1 LYS 12 13.271 -3.034 5.065 87 HD2 LYS 12 HD2 LYS 12 15.576 -3.529 5.660 88 HD3 LYS 12 HD1 LYS 12 15.534 -2.292 6.920 89 HE2 LYS 12 HE2 LYS 12 13.795 -3.541 8.094 90 HE3 LYS 12 HE1 LYS 12 13.813 -4.767 6.829 91 HZ1 LYS 12 HZ1 LYS 12 15.108 -5.449 8.752 92 HZ2 LYS 12 HZ2 LYS 12 16.100 -4.087 8.597 93 HZ3 LYS 12 HZ3 LYS 12 16.103 -5.275 7.393 94 H LYS 13 HN LYS 13 14.527 -0.613 1.728 95 HA LYS 13 HA LYS 13 15.879 1.876 1.778 96 HB2 LYS 13 HB2 LYS 13 15.244 0.071 -0.557 97 HB3 LYS 13 HB1 LYS 13 16.409 1.385 -0.579 98 HG2 LYS 13 HG2 LYS 13 17.997 0.129 0.339 99 HG3 LYS 13 HG1 LYS 13 16.903 -0.506 1.568 100 HD2 LYS 13 HD2 LYS 13 17.899 -2.195 -0.042 101 HD3 LYS 13 HD1 LYS 13 16.152 -2.234 0.156 102 HE2 LYS 13 HE2 LYS 13 17.006 -2.439 -2.210 103 HE3 LYS 13 HE1 LYS 13 15.786 -1.196 -1.935 104 HZ1 LYS 13 HZ1 LYS 13 17.549 0.457 -1.851 105 HZ2 LYS 13 HZ2 LYS 13 17.599 -0.385 -3.314 106 HZ3 LYS 13 HZ3 LYS 13 18.720 -0.738 -2.098 107 H ALA 14 HN ALA 14 13.081 0.730 -0.070 108 HA ALA 14 HA ALA 14 12.583 3.181 -1.387 109 HB1 ALA 14 HB1 ALA 14 10.545 1.041 -0.855 110 HB2 ALA 14 HB2 ALA 14 11.807 0.875 -2.069 111 HB3 ALA 14 HB3 ALA 14 10.617 2.171 -2.208 112 H ILE 15 HN ILE 15 11.400 1.776 1.613 113 HA ILE 15 HA ILE 15 9.346 3.651 2.035 114 HB ILE 15 HB ILE 15 10.704 1.667 3.789 115 HG12 ILE 15 HG12 ILE 15 8.034 2.187 2.536 116 HG13 ILE 15 HG11 ILE 15 9.137 0.851 2.230 117 HG21 ILE 15 HG21 ILE 15 9.302 2.237 5.649 118 HG22 ILE 15 HG22 ILE 15 8.514 3.511 4.726 119 HG23 ILE 15 HG23 ILE 15 10.203 3.685 5.200 120 HD11 ILE 15 HD11 ILE 15 7.494 -0.155 3.461 121 HD12 ILE 15 HD12 ILE 15 7.197 1.294 4.418 122 HD13 ILE 15 HD13 ILE 15 8.624 0.300 4.741 123 H GLY 16 HN GLY 16 12.743 3.544 2.908 124 HA2 GLY 16 HA2 GLY 16 12.535 6.065 4.372 125 HA3 GLY 16 HA1 GLY 16 13.958 5.043 4.269 126 H ALA 17 HN ALA 17 12.977 5.196 1.171 127 HA ALA 17 HA ALA 17 14.975 7.160 0.503 128 HB1 ALA 17 HB1 ALA 17 14.537 6.510 -1.812 129 HB2 ALA 17 HB2 ALA 17 13.163 5.540 -1.280 130 HB3 ALA 17 HB3 ALA 17 14.798 5.102 -0.783 131 H PHE 18 HN PHE 18 11.461 6.971 0.457 132 HA PHE 18 HA PHE 18 11.356 9.698 -0.657 133 HD1 PHE 18 HD2 PHE 18 11.866 8.986 -2.559 134 HD2 PHE 18 HD1 PHE 18 8.589 6.303 -2.275 135 HE1 PHE 18 HE2 PHE 18 12.621 7.854 -4.613 136 HE2 PHE 18 HE1 PHE 18 9.326 5.157 -4.320 137 HZ PHE 18 HZ PHE 18 11.348 5.938 -5.497 138 HB2 PHE 18 HB2 PHE 18 9.116 7.683 -0.473 139 HB3 PHE 18 HB1 PHE 18 9.083 9.222 -1.312 140 H THR 19 HN THR 19 11.937 10.432 1.560 141 HA THR 19 HA THR 19 9.829 10.139 3.545 142 HB THR 19 HB THR 19 12.481 11.568 3.771 143 HG1 THR 19 HG1 THR 19 11.625 8.958 4.531 144 HG21 THR 19 HG21 THR 19 12.057 11.489 6.184 145 HG22 THR 19 HG22 THR 19 10.476 10.765 5.884 146 HG23 THR 19 HG23 THR 19 10.808 12.411 5.348 147 H ALA 20 HN ALA 20 11.243 12.688 1.521 148 HA ALA 20 HA ALA 20 9.531 14.661 2.827 149 HB1 ALA 20 HB1 ALA 20 11.873 15.218 2.516 150 HB2 ALA 20 HB2 ALA 20 10.820 16.337 1.650 151 HB3 ALA 20 HB3 ALA 20 11.679 15.074 0.769 152 H ALA 21 HN ALA 21 10.292 13.920 -0.613 153 HA ALA 21 HA ALA 21 7.778 15.231 -1.321 154 HB1 ALA 21 HB1 ALA 21 9.987 14.291 -3.125 155 HB2 ALA 21 HB2 ALA 21 9.817 15.923 -2.477 156 HB3 ALA 21 HB3 ALA 21 8.604 15.283 -3.587 157 H ASP 22 HN ASP 22 9.426 12.377 -2.632 158 HA ASP 22 HA ASP 22 7.150 11.284 -3.810 159 HB2 ASP 22 HB2 ASP 22 9.740 10.039 -2.911 160 HB3 ASP 22 HB1 ASP 22 8.480 9.094 -3.701 161 H SER 23 HN SER 23 8.006 11.387 -0.507 162 HA SER 23 HA SER 23 7.007 9.132 0.622 163 HG SER 23 HG SER 23 6.943 9.887 3.376 164 HB2 SER 23 HB2 SER 23 7.967 11.004 1.903 165 HB3 SER 23 HB1 SER 23 6.511 11.953 1.603 166 H PHE 24 HN PHE 24 5.162 11.583 -1.055 167 HA PHE 24 HA PHE 24 2.658 10.615 0.007 168 HD1 PHE 24 HD1 PHE 24 1.427 11.522 -3.563 169 HD2 PHE 24 HD2 PHE 24 4.565 14.021 -2.152 170 HE1 PHE 24 HE1 PHE 24 1.919 12.201 -5.875 171 HE2 PHE 24 HE2 PHE 24 5.071 14.699 -4.461 172 HZ PHE 24 HZ PHE 24 3.745 13.791 -6.327 173 HB2 PHE 24 HB2 PHE 24 1.587 12.350 -1.163 174 HB3 PHE 24 HB1 PHE 24 3.113 13.038 -0.627 175 H ASP 25 HN ASP 25 4.296 10.547 -3.155 176 HA ASP 25 HA ASP 25 2.241 8.897 -4.316 177 HB2 ASP 25 HB2 ASP 25 3.927 8.727 -6.222 178 HB3 ASP 25 HB1 ASP 25 3.327 10.338 -5.842 179 H HIS 26 HN HIS 26 2.184 7.077 -2.916 180 HA HIS 26 HA HIS 26 4.522 5.544 -2.427 181 HD1 HIS 26 HD1 HIS 26 2.377 2.545 -3.341 182 HD2 HIS 26 HD2 HIS 26 -0.327 5.048 -1.426 183 HE1 HIS 26 HE1 HIS 26 0.107 1.626 -3.894 184 HE2 HIS 26 HE2 HIS 26 -1.520 3.164 -2.736 185 HB2 HIS 26 HB2 HIS 26 3.232 4.141 -1.137 186 HB3 HIS 26 HB1 HIS 26 2.279 5.615 -1.077 187 H LYS 27 HN LYS 27 2.510 5.778 -5.161 188 HA LYS 27 HA LYS 27 2.521 3.213 -6.171 189 HB2 LYS 27 HB2 LYS 27 1.975 5.801 -7.177 190 HB3 LYS 27 HB1 LYS 27 2.978 4.962 -8.344 191 HG2 LYS 27 HG2 LYS 27 1.409 3.458 -8.851 192 HG3 LYS 27 HG1 LYS 27 0.817 3.355 -7.195 193 HD2 LYS 27 HD2 LYS 27 -0.942 4.319 -8.223 194 HD3 LYS 27 HD1 LYS 27 -0.073 5.755 -7.695 195 HE2 LYS 27 HE2 LYS 27 0.363 4.545 -10.409 196 HE3 LYS 27 HE1 LYS 27 -0.931 5.710 -10.114 197 HZ1 LYS 27 HZ1 LYS 27 0.732 7.298 -9.358 198 HZ2 LYS 27 HZ2 LYS 27 1.059 6.794 -10.940 199 HZ3 LYS 27 HZ3 LYS 27 1.967 6.179 -9.652 200 H LYS 28 HN LYS 28 4.745 5.843 -6.890 201 HA LYS 28 HA LYS 28 6.644 4.409 -8.350 202 HB2 LYS 28 HB2 LYS 28 7.188 6.668 -6.409 203 HB3 LYS 28 HB1 LYS 28 8.230 6.183 -7.741 204 HG2 LYS 28 HG2 LYS 28 5.575 6.773 -8.689 205 HG3 LYS 28 HG1 LYS 28 6.232 8.126 -7.769 206 HD2 LYS 28 HD2 LYS 28 6.843 8.438 -10.056 207 HD3 LYS 28 HD1 LYS 28 8.297 7.975 -9.171 208 HE2 LYS 28 HE2 LYS 28 6.619 5.926 -10.575 209 HE3 LYS 28 HE1 LYS 28 7.819 6.870 -11.454 210 HZ1 LYS 28 HZ1 LYS 28 9.447 6.082 -9.715 211 HZ2 LYS 28 HZ2 LYS 28 8.892 4.910 -10.801 212 HZ3 LYS 28 HZ3 LYS 28 8.268 4.968 -9.233 213 H PHE 29 HN PHE 29 6.238 4.911 -4.919 214 HA PHE 29 HA PHE 29 8.497 3.496 -4.026 215 HD1 PHE 29 HD2 PHE 29 9.109 3.239 -1.313 216 HD2 PHE 29 HD1 PHE 29 4.936 2.459 -1.540 217 HE1 PHE 29 HE2 PHE 29 9.314 1.611 0.509 218 HE2 PHE 29 HE1 PHE 29 5.138 0.829 0.289 219 HZ PHE 29 HZ PHE 29 7.331 0.400 1.318 220 HB2 PHE 29 HB2 PHE 29 7.427 4.824 -2.406 221 HB3 PHE 29 HB1 PHE 29 5.842 4.180 -2.790 222 H PHE 30 HN PHE 30 5.232 2.521 -4.934 223 HA PHE 30 HA PHE 30 5.211 -0.106 -4.100 224 HD1 PHE 30 HD2 PHE 30 4.058 -1.865 -7.132 225 HD2 PHE 30 HD1 PHE 30 2.138 0.003 -3.857 226 HE1 PHE 30 HE2 PHE 30 2.779 -3.918 -6.721 227 HE2 PHE 30 HE1 PHE 30 0.846 -2.040 -3.430 228 HZ PHE 30 HZ PHE 30 1.170 -4.009 -4.864 229 HB2 PHE 30 HB2 PHE 30 3.454 1.302 -5.502 230 HB3 PHE 30 HB1 PHE 30 4.218 0.471 -6.847 231 H GLN 31 HN GLN 31 7.019 1.401 -6.617 232 HA GLN 31 HA GLN 31 7.785 -1.072 -7.875 233 HB2 GLN 31 HB2 GLN 31 8.939 1.654 -8.347 234 HB3 GLN 31 HB1 GLN 31 8.936 0.287 -9.450 235 HG2 GLN 31 HG2 GLN 31 6.541 0.473 -9.706 236 HG3 GLN 31 HG1 GLN 31 6.496 1.777 -8.514 237 HE21 GLN 31 HE21 GLN 31 5.574 3.192 -10.028 238 HE22 GLN 31 HE22 GLN 31 6.499 3.888 -11.309 239 H MET 32 HN MET 32 9.506 1.523 -6.132 240 HA MET 32 HA MET 32 11.943 0.054 -5.986 241 HB2 MET 32 HB2 MET 32 10.955 2.546 -4.627 242 HB3 MET 32 HB1 MET 32 12.517 1.837 -4.238 243 HG2 MET 32 HG2 MET 32 13.090 2.002 -6.669 244 HG3 MET 32 HG1 MET 32 11.604 2.923 -6.883 245 HE1 MET 32 HE1 MET 32 15.057 2.798 -4.978 246 HE2 MET 32 HE2 MET 32 13.887 3.077 -3.687 247 HE3 MET 32 HE3 MET 32 15.030 4.343 -4.129 248 H VAL 33 HN VAL 33 9.083 0.044 -4.083 249 HA VAL 33 HA VAL 33 10.254 -0.878 -1.640 250 HB VAL 33 HB VAL 33 8.039 0.213 -1.705 251 HG11 VAL 33 HG11 VAL 33 6.889 -2.320 -2.762 252 HG12 VAL 33 HG12 VAL 33 7.436 -1.064 -3.859 253 HG13 VAL 33 HG13 VAL 33 6.175 -0.717 -2.680 254 HG21 VAL 33 HG21 VAL 33 8.434 -1.061 0.238 255 HG22 VAL 33 HG22 VAL 33 8.197 -2.577 -0.633 256 HG23 VAL 33 HG23 VAL 33 6.824 -1.520 -0.313 257 H GLY 34 HN GLY 34 9.268 -2.349 -4.581 258 HA2 GLY 34 HA2 GLY 34 9.806 -4.493 -5.315 259 HA3 GLY 34 HA1 GLY 34 10.260 -4.912 -3.673 260 H LEU 35 HN LEU 35 7.193 -3.408 -4.270 261 HA LEU 35 HA LEU 35 5.808 -5.668 -3.162 262 HG LEU 35 HG LEU 35 4.495 -4.864 -1.723 263 HB2 LEU 35 HB2 LEU 35 5.176 -2.895 -3.804 264 HB3 LEU 35 HB1 LEU 35 3.873 -3.994 -4.221 265 HD11 LEU 35 HD11 LEU 35 4.629 -2.828 -0.306 266 HD12 LEU 35 HD12 LEU 35 4.990 -1.904 -1.763 267 HD13 LEU 35 HD13 LEU 35 6.090 -3.175 -1.229 268 HD21 LEU 35 HD21 LEU 35 2.443 -3.968 -1.055 269 HD22 LEU 35 HD22 LEU 35 2.279 -4.181 -2.797 270 HD23 LEU 35 HD23 LEU 35 2.599 -2.582 -2.131 271 H LYS 36 HN LYS 36 6.418 -4.346 -6.345 272 HA LYS 36 HA LYS 36 4.582 -6.128 -7.654 273 HB2 LYS 36 HB2 LYS 36 6.827 -4.437 -8.775 274 HB3 LYS 36 HB1 LYS 36 5.641 -5.305 -9.734 275 HG2 LYS 36 HG2 LYS 36 4.198 -3.632 -9.574 276 HG3 LYS 36 HG1 LYS 36 4.347 -3.602 -7.816 277 HD2 LYS 36 HD2 LYS 36 4.993 -1.446 -9.035 278 HD3 LYS 36 HD1 LYS 36 6.178 -2.109 -7.899 279 HE2 LYS 36 HE2 LYS 36 6.434 -3.110 -10.638 280 HE3 LYS 36 HE1 LYS 36 6.742 -1.378 -10.458 281 HZ1 LYS 36 HZ1 LYS 36 8.516 -3.396 -10.004 282 HZ2 LYS 36 HZ2 LYS 36 8.030 -2.951 -8.445 283 HZ3 LYS 36 HZ3 LYS 36 8.686 -1.793 -9.488 284 H LYS 37 HN LYS 37 7.594 -6.497 -6.190 285 HA LYS 37 HA LYS 37 9.155 -8.029 -7.799 286 HB2 LYS 37 HB2 LYS 37 9.664 -7.327 -5.448 287 HB3 LYS 37 HB1 LYS 37 8.653 -8.642 -4.865 288 HG2 LYS 37 HG2 LYS 37 10.858 -9.268 -6.762 289 HG3 LYS 37 HG1 LYS 37 11.259 -8.895 -5.086 290 HD2 LYS 37 HD2 LYS 37 9.765 -10.670 -4.328 291 HD3 LYS 37 HD1 LYS 37 9.333 -11.030 -6.000 292 HE2 LYS 37 HE2 LYS 37 12.074 -11.274 -4.770 293 HE3 LYS 37 HE1 LYS 37 10.996 -12.605 -5.185 294 HZ1 LYS 37 HZ1 LYS 37 12.194 -10.682 -7.108 295 HZ2 LYS 37 HZ2 LYS 37 11.148 -11.949 -7.511 296 HZ3 LYS 37 HZ3 LYS 37 12.680 -12.286 -6.880 297 H LYS 38 HN LYS 38 6.105 -8.902 -6.399 298 HA LYS 38 HA LYS 38 6.143 -11.369 -7.957 299 HB2 LYS 38 HB2 LYS 38 5.908 -11.198 -5.001 300 HB3 LYS 38 HB1 LYS 38 4.852 -12.338 -5.826 301 HG2 LYS 38 HG2 LYS 38 6.891 -13.293 -6.922 302 HG3 LYS 38 HG1 LYS 38 7.856 -12.271 -5.858 303 HD2 LYS 38 HD2 LYS 38 5.819 -14.264 -4.883 304 HD3 LYS 38 HD1 LYS 38 7.541 -14.615 -5.046 305 HE2 LYS 38 HE2 LYS 38 8.034 -12.760 -3.499 306 HE3 LYS 38 HE1 LYS 38 6.302 -12.494 -3.298 307 HZ1 LYS 38 HZ1 LYS 38 7.656 -15.058 -2.671 308 HZ2 LYS 38 HZ2 LYS 38 6.063 -14.624 -2.301 309 HZ3 LYS 38 HZ3 LYS 38 7.351 -13.852 -1.526 310 H SER 39 HN SER 39 3.800 -12.432 -7.601 311 HA SER 39 HA SER 39 1.995 -10.692 -8.849 312 HG SER 39 HG SER 39 2.227 -12.712 -9.976 313 HB2 SER 39 HB2 SER 39 1.397 -13.247 -7.336 314 HB3 SER 39 HB1 SER 39 0.321 -12.456 -8.488 315 H ALA 40 HN ALA 40 -0.074 -9.922 -8.079 316 HA ALA 40 HA ALA 40 0.052 -8.356 -5.798 317 HB1 ALA 40 HB1 ALA 40 -2.554 -9.370 -6.875 318 HB2 ALA 40 HB2 ALA 40 -1.545 -8.269 -7.810 319 HB3 ALA 40 HB3 ALA 40 -2.160 -7.776 -6.230 320 H ASP 41 HN ASP 41 -0.657 -11.721 -6.081 321 HA ASP 41 HA ASP 41 -2.239 -12.102 -3.798 322 HB2 ASP 41 HB2 ASP 41 -0.249 -14.000 -5.061 323 HB3 ASP 41 HB1 ASP 41 -1.499 -14.452 -3.907 324 H ASP 42 HN ASP 42 1.238 -11.805 -4.207 325 HA ASP 42 HA ASP 42 1.901 -12.645 -1.559 326 HB2 ASP 42 HB2 ASP 42 3.490 -11.061 -3.587 327 HB3 ASP 42 HB1 ASP 42 4.143 -11.706 -2.085 328 H VAL 43 HN VAL 43 1.816 -9.443 -3.127 329 HA VAL 43 HA VAL 43 2.403 -7.900 -0.876 330 HB VAL 43 HB VAL 43 1.248 -6.045 -2.070 331 HG11 VAL 43 HG11 VAL 43 3.231 -7.801 -3.443 332 HG12 VAL 43 HG12 VAL 43 3.441 -6.177 -2.785 333 HG13 VAL 43 HG13 VAL 43 2.578 -6.410 -4.305 334 HG21 VAL 43 HG21 VAL 43 0.445 -8.254 -3.940 335 HG22 VAL 43 HG22 VAL 43 0.325 -6.541 -4.331 336 HG23 VAL 43 HG23 VAL 43 -0.622 -7.210 -3.004 337 H LYS 44 HN LYS 44 -0.644 -9.134 -2.095 338 HA LYS 44 HA LYS 44 -2.451 -7.830 -0.479 339 HB2 LYS 44 HB2 LYS 44 -2.448 -10.495 -1.827 340 HB3 LYS 44 HB1 LYS 44 -3.749 -10.108 -0.710 341 HG2 LYS 44 HG2 LYS 44 -4.275 -8.114 -2.026 342 HG3 LYS 44 HG1 LYS 44 -2.992 -8.525 -3.158 343 HD2 LYS 44 HD2 LYS 44 -4.255 -10.782 -3.346 344 HD3 LYS 44 HD1 LYS 44 -5.611 -9.885 -2.671 345 HE2 LYS 44 HE2 LYS 44 -5.390 -8.239 -4.493 346 HE3 LYS 44 HE1 LYS 44 -4.084 -9.198 -5.180 347 HZ1 LYS 44 HZ1 LYS 44 -6.171 -9.660 -6.287 348 HZ2 LYS 44 HZ2 LYS 44 -6.892 -10.097 -4.820 349 HZ3 LYS 44 HZ3 LYS 44 -5.638 -11.036 -5.458 350 H LYS 45 HN LYS 45 -0.173 -10.286 0.437 351 HA LYS 45 HA LYS 45 -1.576 -11.438 2.591 352 HB2 LYS 45 HB2 LYS 45 1.274 -11.264 1.778 353 HB3 LYS 45 HB1 LYS 45 0.952 -11.639 3.465 354 HG2 LYS 45 HG2 LYS 45 1.226 -13.669 2.170 355 HG3 LYS 45 HG1 LYS 45 -0.421 -13.541 2.785 356 HD2 LYS 45 HD2 LYS 45 -1.140 -12.662 0.594 357 HD3 LYS 45 HD1 LYS 45 0.502 -12.889 -0.012 358 HE2 LYS 45 HE2 LYS 45 0.338 -15.284 0.405 359 HE3 LYS 45 HE1 LYS 45 -1.287 -15.070 1.057 360 HZ1 LYS 45 HZ1 LYS 45 -2.008 -14.272 -1.110 361 HZ2 LYS 45 HZ2 LYS 45 -1.355 -15.825 -1.230 362 HZ3 LYS 45 HZ3 LYS 45 -0.450 -14.488 -1.734 363 H VAL 46 HN VAL 46 0.648 -8.689 2.396 364 HA VAL 46 HA VAL 46 0.588 -8.018 5.111 365 HB VAL 46 HB VAL 46 1.989 -7.043 3.068 366 HG11 VAL 46 HG11 VAL 46 1.327 -4.725 2.539 367 HG12 VAL 46 HG12 VAL 46 -0.216 -5.017 3.346 368 HG13 VAL 46 HG13 VAL 46 0.212 -5.932 1.899 369 HG21 VAL 46 HG21 VAL 46 2.801 -5.328 4.507 370 HG22 VAL 46 HG22 VAL 46 2.311 -6.684 5.524 371 HG23 VAL 46 HG23 VAL 46 1.273 -5.267 5.387 372 H PHE 47 HN PHE 47 -1.664 -7.564 2.518 373 HA PHE 47 HA PHE 47 -3.248 -5.546 3.586 374 HD1 PHE 47 HD2 PHE 47 -3.805 -4.130 1.581 375 HD2 PHE 47 HD1 PHE 47 -6.686 -7.230 2.009 376 HE1 PHE 47 HE2 PHE 47 -5.605 -2.498 1.210 377 HE2 PHE 47 HE1 PHE 47 -8.494 -5.597 1.645 378 HZ PHE 47 HZ PHE 47 -7.953 -3.231 1.243 379 HB2 PHE 47 HB2 PHE 47 -3.292 -6.645 1.255 380 HB3 PHE 47 HB1 PHE 47 -4.435 -7.767 1.989 381 H HIS 48 HN HIS 48 -3.448 -9.066 3.927 382 HA HIS 48 HA HIS 48 -5.792 -9.098 5.514 383 HD1 HIS 48 HD1 HIS 48 -6.978 -12.225 4.957 384 HD2 HIS 48 HD2 HIS 48 -4.421 -11.765 8.201 385 HE1 HIS 48 HE1 HIS 48 -8.020 -13.545 6.827 386 HE2 HIS 48 HE2 HIS 48 -6.410 -13.323 8.752 387 HB2 HIS 48 HB2 HIS 48 -4.816 -11.093 4.340 388 HB3 HIS 48 HB1 HIS 48 -3.526 -11.108 5.535 389 H ILE 49 HN ILE 49 -2.375 -8.847 6.227 390 HA ILE 49 HA ILE 49 -2.379 -9.105 8.990 391 HB ILE 49 HB ILE 49 -0.746 -7.133 7.378 392 HG12 ILE 49 HG12 ILE 49 -0.466 -9.300 6.386 393 HG13 ILE 49 HG11 ILE 49 0.971 -8.950 7.334 394 HG21 ILE 49 HG21 ILE 49 -0.611 -6.742 9.763 395 HG22 ILE 49 HG22 ILE 49 0.910 -7.411 9.174 396 HG23 ILE 49 HG23 ILE 49 -0.224 -8.438 10.047 397 HD11 ILE 49 HD11 ILE 49 0.175 -10.390 9.107 398 HD12 ILE 49 HD12 ILE 49 0.246 -11.258 7.574 399 HD13 ILE 49 HD13 ILE 49 -1.306 -10.708 8.204 400 H LEU 50 HN LEU 50 -2.819 -6.245 6.980 401 HA LEU 50 HA LEU 50 -3.421 -4.561 9.247 402 HG LEU 50 HG LEU 50 -1.237 -4.966 7.291 403 HB2 LEU 50 HB2 LEU 50 -3.421 -3.883 6.321 404 HB3 LEU 50 HB1 LEU 50 -3.241 -2.787 7.677 405 HD11 LEU 50 HD11 LEU 50 -0.003 -3.846 5.701 406 HD12 LEU 50 HD12 LEU 50 -0.825 -2.316 5.981 407 HD13 LEU 50 HD13 LEU 50 -1.650 -3.614 5.121 408 HD21 LEU 50 HD21 LEU 50 0.171 -3.583 8.531 409 HD22 LEU 50 HD22 LEU 50 -1.403 -3.416 9.309 410 HD23 LEU 50 HD23 LEU 50 -0.816 -2.152 8.230 411 H ASP 51 HN ASP 51 -5.192 -6.260 6.770 412 HA ASP 51 HA ASP 51 -7.594 -4.665 7.213 413 HB2 ASP 51 HB2 ASP 51 -6.960 -6.934 5.328 414 HB3 ASP 51 HB1 ASP 51 -8.589 -6.296 5.523 415 H LYS 52 HN LYS 52 -6.442 -6.390 9.335 416 HA LYS 52 HA LYS 52 -7.971 -8.705 9.709 417 HB2 LYS 52 HB2 LYS 52 -7.239 -8.580 12.021 418 HB3 LYS 52 HB1 LYS 52 -5.912 -8.147 10.944 419 HG2 LYS 52 HG2 LYS 52 -6.417 -5.761 11.353 420 HG3 LYS 52 HG1 LYS 52 -7.638 -6.255 12.527 421 HD2 LYS 52 HD2 LYS 52 -4.713 -6.975 12.689 422 HD3 LYS 52 HD1 LYS 52 -5.463 -5.625 13.542 423 HE2 LYS 52 HE2 LYS 52 -6.953 -7.191 14.697 424 HE3 LYS 52 HE1 LYS 52 -6.187 -8.537 13.854 425 HZ1 LYS 52 HZ1 LYS 52 -4.106 -8.000 14.931 426 HZ2 LYS 52 HZ2 LYS 52 -5.310 -8.237 16.096 427 HZ3 LYS 52 HZ3 LYS 52 -4.806 -6.670 15.707 428 H ASP 53 HN ASP 53 -8.515 -5.346 10.665 429 HA ASP 53 HA ASP 53 -11.179 -6.085 11.659 430 HB2 ASP 53 HB2 ASP 53 -9.581 -3.556 12.112 431 HB3 ASP 53 HB1 ASP 53 -11.179 -3.883 12.778 432 H LYS 54 HN LYS 54 -9.552 -4.486 9.096 433 HA LYS 54 HA LYS 54 -11.504 -2.625 8.315 434 HB2 LYS 54 HB2 LYS 54 -9.647 -4.089 6.459 435 HB3 LYS 54 HB1 LYS 54 -10.389 -2.510 6.236 436 HG2 LYS 54 HG2 LYS 54 -8.311 -3.214 8.293 437 HG3 LYS 54 HG1 LYS 54 -8.053 -2.274 6.823 438 HD2 LYS 54 HD2 LYS 54 -9.555 -0.547 7.636 439 HD3 LYS 54 HD1 LYS 54 -9.906 -1.503 9.076 440 HE2 LYS 54 HE2 LYS 54 -7.208 -0.394 8.306 441 HE3 LYS 54 HE1 LYS 54 -8.280 0.270 9.539 442 HZ1 LYS 54 HZ1 LYS 54 -6.557 -1.105 10.518 443 HZ2 LYS 54 HZ2 LYS 54 -7.048 -2.432 9.593 444 HZ3 LYS 54 HZ3 LYS 54 -8.079 -1.798 10.775 445 H SER 55 HN SER 55 -11.582 -6.022 8.251 446 HA SER 55 HA SER 55 -13.183 -7.481 7.574 447 HG SER 55 HG SER 55 -14.490 -4.810 8.809 448 HB2 SER 55 HB2 SER 55 -14.720 -5.044 6.648 449 HB3 SER 55 HB1 SER 55 -15.371 -6.664 6.882 450 H GLY 56 HN GLY 56 -11.038 -6.355 5.763 451 HA2 GLY 56 HA2 GLY 56 -10.438 -7.431 3.714 452 HA3 GLY 56 HA1 GLY 56 -12.141 -7.533 3.306 453 H PHE 57 HN PHE 57 -12.124 -4.542 4.347 454 HA PHE 57 HA PHE 57 -10.815 -3.310 2.048 455 HD1 PHE 57 HD2 PHE 57 -13.705 -5.554 2.116 456 HD2 PHE 57 HD1 PHE 57 -12.680 -2.533 -0.698 457 HE1 PHE 57 HE2 PHE 57 -14.100 -7.140 0.276 458 HE2 PHE 57 HE1 PHE 57 -13.075 -4.112 -2.543 459 HZ PHE 57 HZ PHE 57 -13.785 -6.419 -2.057 460 HB2 PHE 57 HB2 PHE 57 -13.770 -3.026 2.628 461 HB3 PHE 57 HB1 PHE 57 -12.875 -1.968 1.529 462 H ILE 58 HN ILE 58 -9.930 -1.426 2.503 463 HA ILE 58 HA ILE 58 -10.549 -0.171 5.093 464 HB ILE 58 HB ILE 58 -8.169 0.546 3.401 465 HG12 ILE 58 HG12 ILE 58 -7.192 -1.155 5.352 466 HG13 ILE 58 HG11 ILE 58 -8.643 -1.982 4.794 467 HG21 ILE 58 HG21 ILE 58 -7.233 1.070 5.658 468 HG22 ILE 58 HG22 ILE 58 -8.818 0.694 6.335 469 HG23 ILE 58 HG23 ILE 58 -8.637 2.035 5.207 470 HD11 ILE 58 HD11 ILE 58 -7.777 -1.728 2.464 471 HD12 ILE 58 HD12 ILE 58 -6.819 -2.779 3.507 472 HD13 ILE 58 HD13 ILE 58 -6.268 -1.139 3.160 473 H GLU 59 HN GLU 59 -11.001 1.981 5.201 474 HA GLU 59 HA GLU 59 -12.072 3.078 2.723 475 HB2 GLU 59 HB2 GLU 59 -12.740 3.193 5.592 476 HB3 GLU 59 HB1 GLU 59 -13.049 4.669 4.673 477 HG2 GLU 59 HG2 GLU 59 -15.052 3.384 4.700 478 HG3 GLU 59 HG1 GLU 59 -14.380 3.288 3.073 479 H GLU 60 HN GLU 60 -11.451 4.986 1.940 480 HA GLU 60 HA GLU 60 -9.000 5.971 1.967 481 HB2 GLU 60 HB2 GLU 60 -10.077 8.307 1.617 482 HB3 GLU 60 HB1 GLU 60 -10.410 7.018 0.467 483 HG2 GLU 60 HG2 GLU 60 -12.570 6.841 1.083 484 HG3 GLU 60 HG1 GLU 60 -12.217 7.228 2.765 485 H ASP 61 HN ASP 61 -11.368 6.782 4.459 486 HA ASP 61 HA ASP 61 -9.728 8.715 5.725 487 HB2 ASP 61 HB2 ASP 61 -12.144 8.697 6.080 488 HB3 ASP 61 HB1 ASP 61 -12.048 7.098 6.816 489 H GLU 62 HN GLU 62 -10.490 5.321 6.550 490 HA GLU 62 HA GLU 62 -8.500 5.217 8.623 491 HB2 GLU 62 HB2 GLU 62 -9.977 2.945 7.277 492 HB3 GLU 62 HB1 GLU 62 -9.078 2.850 8.785 493 HG2 GLU 62 HG2 GLU 62 -11.551 4.499 8.318 494 HG3 GLU 62 HG1 GLU 62 -11.483 2.951 9.161 495 H LEU 63 HN LEU 63 -8.529 4.839 5.245 496 HA LEU 63 HA LEU 63 -6.610 3.017 4.651 497 HG LEU 63 HG LEU 63 -7.222 4.058 1.263 498 HB2 LEU 63 HB2 LEU 63 -7.907 5.188 3.423 499 HB3 LEU 63 HB1 LEU 63 -6.221 5.283 2.991 500 HD11 LEU 63 HD11 LEU 63 -5.964 2.173 1.232 501 HD12 LEU 63 HD12 LEU 63 -6.438 1.695 2.860 502 HD13 LEU 63 HD13 LEU 63 -5.227 2.958 2.631 503 HD21 LEU 63 HD21 LEU 63 -8.813 2.814 3.454 504 HD22 LEU 63 HD22 LEU 63 -8.588 1.950 1.938 505 HD23 LEU 63 HD23 LEU 63 -9.354 3.538 1.940 506 H GLY 64 HN GLY 64 -6.250 6.072 6.206 507 HA2 GLY 64 HA2 GLY 64 -3.462 6.409 5.689 508 HA3 GLY 64 HA1 GLY 64 -4.411 7.292 6.875 509 H SER 65 HN SER 65 -5.247 4.534 7.927 510 HA SER 65 HA SER 65 -3.059 4.310 9.831 511 HG SER 65 HG SER 65 -3.800 3.120 11.776 512 HB2 SER 65 HB2 SER 65 -5.437 4.278 10.591 513 HB3 SER 65 HB1 SER 65 -5.675 2.791 9.670 514 H ILE 66 HN ILE 66 -4.912 2.266 7.667 515 HA ILE 66 HA ILE 66 -3.491 -0.087 7.858 516 HB ILE 66 HB ILE 66 -5.669 0.437 6.624 517 HG12 ILE 66 HG12 ILE 66 -4.897 -1.807 6.615 518 HG13 ILE 66 HG11 ILE 66 -5.303 -1.413 4.946 519 HG21 ILE 66 HG21 ILE 66 -3.714 1.132 4.458 520 HG22 ILE 66 HG22 ILE 66 -4.976 2.148 5.157 521 HG23 ILE 66 HG23 ILE 66 -5.411 0.752 4.172 522 HD11 ILE 66 HD11 ILE 66 -3.294 -2.603 4.858 523 HD12 ILE 66 HD12 ILE 66 -2.613 -1.680 6.192 524 HD13 ILE 66 HD13 ILE 66 -2.847 -0.911 4.627 525 H LEU 67 HN LEU 67 -2.761 2.762 5.813 526 HA LEU 67 HA LEU 67 -0.787 1.716 4.178 527 HG LEU 67 HG LEU 67 -2.007 5.040 3.323 528 HB2 LEU 67 HB2 LEU 67 -1.329 4.394 5.359 529 HB3 LEU 67 HB1 LEU 67 0.233 4.146 4.615 530 HD11 LEU 67 HD11 LEU 67 0.341 3.579 2.166 531 HD12 LEU 67 HD12 LEU 67 0.271 5.292 2.567 532 HD13 LEU 67 HD13 LEU 67 -0.739 4.643 1.276 533 HD21 LEU 67 HD21 LEU 67 -3.076 3.450 2.106 534 HD22 LEU 67 HD22 LEU 67 -2.693 2.489 3.525 535 HD23 LEU 67 HD23 LEU 67 -1.685 2.367 2.095 536 H LYS 68 HN LYS 68 -0.532 2.794 7.524 537 HA LYS 68 HA LYS 68 2.187 2.857 7.868 538 HB2 LYS 68 HB2 LYS 68 0.102 1.837 9.791 539 HB3 LYS 68 HB1 LYS 68 1.754 2.261 10.221 540 HG2 LYS 68 HG2 LYS 68 1.389 4.526 9.924 541 HG3 LYS 68 HG1 LYS 68 -0.012 4.265 8.882 542 HD2 LYS 68 HD2 LYS 68 -1.369 3.630 10.718 543 HD3 LYS 68 HD1 LYS 68 0.022 3.504 11.795 544 HE2 LYS 68 HE2 LYS 68 -1.230 5.537 12.250 545 HE3 LYS 68 HE1 LYS 68 0.369 5.925 11.615 546 HZ1 LYS 68 HZ1 LYS 68 -0.716 6.162 9.397 547 HZ2 LYS 68 HZ2 LYS 68 -1.191 7.319 10.537 548 HZ3 LYS 68 HZ3 LYS 68 -2.217 6.027 10.166 549 H GLY 69 HN GLY 69 0.170 0.040 7.412 550 HA2 GLY 69 HA2 GLY 69 1.573 -1.994 8.564 551 HA3 GLY 69 HA1 GLY 69 0.814 -2.142 6.989 552 H PHE 70 HN PHE 70 2.357 -0.538 5.415 553 HA PHE 70 HA PHE 70 4.871 -2.025 5.398 554 HD1 PHE 70 HD1 PHE 70 1.572 -0.402 3.248 555 HD2 PHE 70 HD2 PHE 70 5.539 1.032 2.680 556 HE1 PHE 70 HE1 PHE 70 0.677 1.701 2.310 557 HE2 PHE 70 HE2 PHE 70 4.653 3.128 1.749 558 HZ PHE 70 HZ PHE 70 2.223 3.464 1.564 559 HB2 PHE 70 HB2 PHE 70 5.140 -1.267 3.124 560 HB3 PHE 70 HB1 PHE 70 3.519 -1.914 3.310 561 H SER 71 HN SER 71 3.610 1.260 5.190 562 HA SER 71 HA SER 71 6.084 2.627 5.156 563 HG SER 71 HG SER 71 3.349 4.171 6.895 564 HB2 SER 71 HB2 SER 71 4.796 4.623 5.245 565 HB3 SER 71 HB1 SER 71 3.943 3.481 4.215 566 H SER 72 HN SER 72 4.805 1.004 7.729 567 HA SER 72 HA SER 72 4.752 2.700 9.875 568 HG SER 72 HG SER 72 6.574 0.380 11.694 569 HB2 SER 72 HB2 SER 72 4.287 0.354 10.176 570 HB3 SER 72 HB1 SER 72 5.938 -0.080 9.735 571 H ASP 73 HN ASP 73 7.537 1.855 7.974 572 HA ASP 73 HA ASP 73 9.303 3.140 9.930 573 HB2 ASP 73 HB2 ASP 73 10.188 1.723 7.432 574 HB3 ASP 73 HB1 ASP 73 11.114 2.087 8.886 575 H ALA 74 HN ALA 74 7.427 4.647 8.206 576 HA ALA 74 HA ALA 74 9.355 6.560 7.214 577 HB1 ALA 74 HB1 ALA 74 8.103 6.680 4.973 578 HB2 ALA 74 HB2 ALA 74 7.554 5.046 5.358 579 HB3 ALA 74 HB3 ALA 74 9.277 5.390 5.219 580 H ARG 75 HN ARG 75 6.042 6.357 6.041 581 HA ARG 75 HA ARG 75 5.076 8.218 8.037 582 HE ARG 75 HE ARG 75 4.526 11.809 6.652 583 HB2 ARG 75 HB2 ARG 75 5.378 8.998 5.138 584 HB3 ARG 75 HB1 ARG 75 4.340 9.856 6.270 585 HG2 ARG 75 HG2 ARG 75 6.337 10.260 7.695 586 HG3 ARG 75 HG1 ARG 75 7.328 9.551 6.419 587 HD2 ARG 75 HD2 ARG 75 7.347 11.962 6.243 588 HD3 ARG 75 HD1 ARG 75 6.506 11.261 4.856 589 HH11 ARG 75 HH11 ARG 75 7.054 13.664 5.138 590 HH12 ARG 75 HH12 ARG 75 6.159 15.148 5.167 591 HH21 ARG 75 HH21 ARG 75 3.341 13.758 6.694 592 HH22 ARG 75 HH22 ARG 75 4.052 15.201 6.052 593 H ASP 76 HN ASP 76 2.743 9.038 7.003 594 HA ASP 76 HA ASP 76 1.403 6.578 6.074 595 HB2 ASP 76 HB2 ASP 76 -0.480 7.095 7.559 596 HB3 ASP 76 HB1 ASP 76 1.008 6.863 8.470 597 H LEU 77 HN LEU 77 -0.335 6.798 4.758 598 HA LEU 77 HA LEU 77 -0.529 8.542 2.736 599 HG LEU 77 HG LEU 77 -3.775 8.973 3.677 600 HB2 LEU 77 HB2 LEU 77 -2.020 6.886 2.463 601 HB3 LEU 77 HB1 LEU 77 -2.360 6.770 4.173 602 HD11 LEU 77 HD11 LEU 77 -4.795 8.063 1.316 603 HD12 LEU 77 HD12 LEU 77 -3.055 7.941 1.069 604 HD13 LEU 77 HD13 LEU 77 -3.786 9.483 1.532 605 HD21 LEU 77 HD21 LEU 77 -5.095 7.390 4.524 606 HD22 LEU 77 HD22 LEU 77 -4.340 6.110 3.572 607 HD23 LEU 77 HD23 LEU 77 -5.569 7.144 2.843 608 H SER 78 HN SER 78 -1.162 10.627 2.352 609 HA SER 78 HA SER 78 -2.308 12.122 4.618 610 HG SER 78 HG SER 78 -0.112 12.611 5.058 611 HB2 SER 78 HB2 SER 78 -0.596 13.125 2.329 612 HB3 SER 78 HB1 SER 78 -1.299 14.141 3.588 613 H ALA 79 HN ALA 79 -3.375 14.279 3.582 614 HA ALA 79 HA ALA 79 -5.810 13.580 2.529 615 HB1 ALA 79 HB1 ALA 79 -6.123 15.893 1.960 616 HB2 ALA 79 HB2 ALA 79 -4.379 16.162 1.923 617 HB3 ALA 79 HB3 ALA 79 -5.186 15.811 3.454 618 H LYS 80 HN LYS 80 -2.995 14.750 0.733 619 HA LYS 80 HA LYS 80 -4.006 14.630 -1.847 620 HB2 LYS 80 HB2 LYS 80 -1.858 15.657 -1.256 621 HB3 LYS 80 HB1 LYS 80 -1.192 14.065 -0.893 622 HG2 LYS 80 HG2 LYS 80 -1.348 13.414 -3.195 623 HG3 LYS 80 HG1 LYS 80 -2.203 14.902 -3.605 624 HD2 LYS 80 HD2 LYS 80 -0.230 16.209 -3.004 625 HD3 LYS 80 HD1 LYS 80 0.625 14.730 -2.561 626 HE2 LYS 80 HE2 LYS 80 1.263 15.512 -4.793 627 HE3 LYS 80 HE1 LYS 80 0.476 13.934 -4.853 628 HZ1 LYS 80 HZ1 LYS 80 -0.815 16.541 -5.452 629 HZ2 LYS 80 HZ2 LYS 80 -1.584 15.034 -5.493 630 HZ3 LYS 80 HZ3 LYS 80 -0.346 15.381 -6.591 631 H GLU 81 HN GLU 81 -2.104 12.161 -0.157 632 HA GLU 81 HA GLU 81 -2.189 10.185 -2.120 633 HB2 GLU 81 HB2 GLU 81 -2.053 9.777 0.863 634 HB3 GLU 81 HB1 GLU 81 -1.481 8.657 -0.342 635 HG2 GLU 81 HG2 GLU 81 0.229 10.272 -1.023 636 HG3 GLU 81 HG1 GLU 81 -0.357 11.393 0.206 637 H THR 82 HN THR 82 -4.602 11.152 0.218 638 HA THR 82 HA THR 82 -6.113 8.763 0.221 639 HB THR 82 HB THR 82 -7.157 11.589 0.486 640 HG1 THR 82 HG1 THR 82 -5.933 9.826 2.333 641 HG21 THR 82 HG21 THR 82 -8.266 8.947 1.433 642 HG22 THR 82 HG22 THR 82 -8.917 9.942 0.130 643 HG23 THR 82 HG23 THR 82 -8.953 10.530 1.794 644 H LYS 83 HN LYS 83 -6.410 11.737 -1.639 645 HA LYS 83 HA LYS 83 -8.284 10.593 -3.470 646 HB2 LYS 83 HB2 LYS 83 -6.755 13.196 -3.449 647 HB3 LYS 83 HB1 LYS 83 -7.858 12.749 -4.742 648 HG2 LYS 83 HG2 LYS 83 -8.889 12.632 -1.966 649 HG3 LYS 83 HG1 LYS 83 -8.614 14.224 -2.677 650 HD2 LYS 83 HD2 LYS 83 -10.925 13.368 -3.009 651 HD3 LYS 83 HD1 LYS 83 -10.077 13.718 -4.516 652 HE2 LYS 83 HE2 LYS 83 -9.558 11.342 -4.774 653 HE3 LYS 83 HE1 LYS 83 -10.396 10.992 -3.262 654 HZ1 LYS 83 HZ1 LYS 83 -12.450 11.754 -4.241 655 HZ2 LYS 83 HZ2 LYS 83 -11.774 10.548 -5.215 656 HZ3 LYS 83 HZ3 LYS 83 -11.660 12.170 -5.679 657 H THR 84 HN THR 84 -4.816 10.865 -3.264 658 HA THR 84 HA THR 84 -4.463 10.389 -6.085 659 HB THR 84 HB THR 84 -2.366 10.634 -3.959 660 HG1 THR 84 HG1 THR 84 -2.160 12.769 -5.002 661 HG21 THR 84 HG21 THR 84 -2.173 10.756 -6.969 662 HG22 THR 84 HG22 THR 84 -1.580 9.450 -5.945 663 HG23 THR 84 HG23 THR 84 -0.851 11.052 -5.842 664 H LEU 85 HN LEU 85 -3.293 8.757 -3.144 665 HA LEU 85 HA LEU 85 -2.603 6.442 -4.729 666 HG LEU 85 HG LEU 85 0.183 6.650 -2.433 667 HB2 LEU 85 HB2 LEU 85 -2.237 7.109 -1.844 668 HB3 LEU 85 HB1 LEU 85 -1.892 5.513 -2.478 669 HD11 LEU 85 HD11 LEU 85 -0.818 6.913 -5.261 670 HD12 LEU 85 HD12 LEU 85 -0.314 5.397 -4.512 671 HD13 LEU 85 HD13 LEU 85 0.849 6.703 -4.731 672 HD21 LEU 85 HD21 LEU 85 0.503 8.848 -3.519 673 HD22 LEU 85 HD22 LEU 85 -0.591 8.911 -2.143 674 HD23 LEU 85 HD23 LEU 85 -1.235 8.944 -3.782 675 H MET 86 HN MET 86 -4.827 6.941 -1.947 676 HA MET 86 HA MET 86 -5.728 4.263 -1.958 677 HB2 MET 86 HB2 MET 86 -7.538 6.522 -1.148 678 HB3 MET 86 HB1 MET 86 -7.438 4.897 -0.492 679 HG2 MET 86 HG2 MET 86 -5.349 7.028 -0.159 680 HG3 MET 86 HG1 MET 86 -6.537 6.558 1.048 681 HE1 MET 86 HE1 MET 86 -3.910 4.482 -1.333 682 HE2 MET 86 HE2 MET 86 -2.676 4.389 -0.078 683 HE3 MET 86 HE3 MET 86 -3.243 5.960 -0.642 684 H ALA 87 HN ALA 87 -7.180 7.149 -3.398 685 HA ALA 87 HA ALA 87 -9.341 5.895 -4.658 686 HB1 ALA 87 HB1 ALA 87 -7.913 8.307 -5.738 687 HB2 ALA 87 HB2 ALA 87 -8.922 8.370 -4.285 688 HB3 ALA 87 HB3 ALA 87 -9.629 7.905 -5.840 689 H ALA 88 HN ALA 88 -5.965 5.933 -5.442 690 HA ALA 88 HA ALA 88 -6.286 5.250 -8.216 691 HB1 ALA 88 HB1 ALA 88 -3.828 4.792 -8.088 692 HB2 ALA 88 HB2 ALA 88 -3.901 5.208 -6.375 693 HB3 ALA 88 HB3 ALA 88 -4.302 6.416 -7.596 694 H GLY 89 HN GLY 89 -4.811 3.419 -5.512 695 HA2 GLY 89 HA2 GLY 89 -4.730 0.935 -6.706 696 HA3 GLY 89 HA1 GLY 89 -4.927 1.182 -4.976 697 H ASP 90 HN ASP 90 -7.456 2.609 -5.376 698 HA ASP 90 HA ASP 90 -9.170 0.272 -5.681 699 HB2 ASP 90 HB2 ASP 90 -10.892 1.559 -4.532 700 HB3 ASP 90 HB1 ASP 90 -9.396 1.592 -3.606 701 H LYS 91 HN LYS 91 -8.098 1.243 -7.985 702 HA LYS 91 HA LYS 91 -8.999 3.058 -9.626 703 HB2 LYS 91 HB2 LYS 91 -7.603 1.111 -10.191 704 HB3 LYS 91 HB1 LYS 91 -9.052 0.128 -10.307 705 HG2 LYS 91 HG2 LYS 91 -8.589 2.555 -11.968 706 HG3 LYS 91 HG1 LYS 91 -8.075 0.951 -12.468 707 HD2 LYS 91 HD2 LYS 91 -10.715 0.650 -11.669 708 HD3 LYS 91 HD1 LYS 91 -10.696 2.171 -12.564 709 HE2 LYS 91 HE2 LYS 91 -11.159 0.344 -14.079 710 HE3 LYS 91 HE1 LYS 91 -9.570 1.020 -14.433 711 HZ1 LYS 91 HZ1 LYS 91 -9.520 -1.387 -14.459 712 HZ2 LYS 91 HZ2 LYS 91 -10.095 -1.450 -12.869 713 HZ3 LYS 91 HZ3 LYS 91 -8.568 -0.799 -13.191 714 H ASP 92 HN ASP 92 -11.130 0.480 -8.494 715 HA ASP 92 HA ASP 92 -13.224 0.835 -10.284 716 HB2 ASP 92 HB2 ASP 92 -13.188 -0.985 -8.641 717 HB3 ASP 92 HB1 ASP 92 -13.402 0.175 -7.334 718 H GLY 93 HN GLY 93 -12.066 2.947 -7.827 719 HA2 GLY 93 HA2 GLY 93 -12.563 5.175 -7.509 720 HA3 GLY 93 HA1 GLY 93 -13.902 5.009 -8.644 721 H ASP 94 HN ASP 94 -13.196 3.311 -5.608 722 HA ASP 94 HA ASP 94 -15.817 4.204 -4.618 723 HB2 ASP 94 HB2 ASP 94 -15.712 2.223 -3.117 724 HB3 ASP 94 HB1 ASP 94 -15.702 1.797 -4.825 725 H GLY 95 HN GLY 95 -12.526 4.732 -4.244 726 HA2 GLY 95 HA2 GLY 95 -11.358 5.983 -2.725 727 HA3 GLY 95 HA1 GLY 95 -12.885 6.369 -1.950 728 H LYS 96 HN LYS 96 -11.862 3.093 -2.446 729 HA LYS 96 HA LYS 96 -10.811 2.832 0.244 730 HB2 LYS 96 HB2 LYS 96 -13.111 1.026 -0.480 731 HB3 LYS 96 HB1 LYS 96 -12.470 1.402 1.107 732 HG2 LYS 96 HG2 LYS 96 -13.412 3.627 1.010 733 HG3 LYS 96 HG1 LYS 96 -13.989 3.332 -0.629 734 HD2 LYS 96 HD2 LYS 96 -15.428 1.534 0.208 735 HD3 LYS 96 HD1 LYS 96 -14.857 1.847 1.849 736 HE2 LYS 96 HE2 LYS 96 -15.725 4.163 1.653 737 HE3 LYS 96 HE1 LYS 96 -16.394 3.741 0.076 738 HZ1 LYS 96 HZ1 LYS 96 -18.077 3.576 1.777 739 HZ2 LYS 96 HZ2 LYS 96 -17.130 2.499 2.670 740 HZ3 LYS 96 HZ3 LYS 96 -17.741 2.034 1.163 741 H ILE 97 HN ILE 97 -9.504 1.040 0.494 742 HA ILE 97 HA ILE 97 -9.042 -0.506 -1.959 743 HB ILE 97 HB ILE 97 -7.194 0.004 0.380 744 HG12 ILE 97 HG12 ILE 97 -7.194 0.932 -2.497 745 HG13 ILE 97 HG11 ILE 97 -7.369 1.932 -1.058 746 HG21 ILE 97 HG21 ILE 97 -5.491 -1.178 -0.975 747 HG22 ILE 97 HG22 ILE 97 -6.760 -1.653 -2.104 748 HG23 ILE 97 HG23 ILE 97 -6.800 -2.230 -0.438 749 HD11 ILE 97 HD11 ILE 97 -5.138 2.067 -2.106 750 HD12 ILE 97 HD12 ILE 97 -4.900 0.354 -1.748 751 HD13 ILE 97 HD13 ILE 97 -5.092 1.515 -0.431 752 H GLY 98 HN GLY 98 -9.026 -2.688 -1.962 753 HA2 GLY 98 HA2 GLY 98 -9.513 -4.131 0.546 754 HA3 GLY 98 HA1 GLY 98 -10.678 -4.298 -0.759 755 H VAL 99 HN VAL 99 -9.516 -6.556 0.109 756 HA VAL 99 HA VAL 99 -7.098 -7.374 -0.889 757 HB VAL 99 HB VAL 99 -8.643 -8.793 0.462 758 HG11 VAL 99 HG11 VAL 99 -10.356 -10.102 -0.631 759 HG12 VAL 99 HG12 VAL 99 -9.981 -9.351 -2.181 760 HG13 VAL 99 HG13 VAL 99 -10.674 -8.385 -0.879 761 HG21 VAL 99 HG21 VAL 99 -7.565 -10.061 -2.054 762 HG22 VAL 99 HG22 VAL 99 -7.975 -10.913 -0.567 763 HG23 VAL 99 HG23 VAL 99 -6.655 -9.745 -0.578 764 H GLU 100 HN GLU 100 -10.103 -6.942 -2.649 765 HA GLU 100 HA GLU 100 -9.173 -8.126 -5.080 766 HB2 GLU 100 HB2 GLU 100 -11.320 -6.184 -5.395 767 HB3 GLU 100 HB1 GLU 100 -11.274 -7.880 -5.848 768 HG2 GLU 100 HG2 GLU 100 -11.760 -8.454 -3.493 769 HG3 GLU 100 HG1 GLU 100 -11.891 -6.727 -3.161 770 H GLU 101 HN GLU 101 -9.872 -4.809 -4.078 771 HA GLU 101 HA GLU 101 -8.878 -3.557 -6.389 772 HB2 GLU 101 HB2 GLU 101 -9.801 -2.762 -3.725 773 HB3 GLU 101 HB1 GLU 101 -8.631 -1.664 -4.430 774 HG2 GLU 101 HG2 GLU 101 -10.942 -1.022 -4.912 775 HG3 GLU 101 HG1 GLU 101 -10.020 -1.360 -6.375 776 H PHE 102 HN PHE 102 -7.271 -4.602 -3.447 777 HA PHE 102 HA PHE 102 -4.943 -3.098 -3.578 778 HD1 PHE 102 HD2 PHE 102 -4.702 -2.949 -0.772 779 HD2 PHE 102 HD1 PHE 102 -2.432 -5.966 -2.696 780 HE1 PHE 102 HE2 PHE 102 -2.699 -2.206 0.451 781 HE2 PHE 102 HE1 PHE 102 -0.413 -5.246 -1.473 782 HZ PHE 102 HZ PHE 102 -0.549 -3.356 0.099 783 HB2 PHE 102 HB2 PHE 102 -5.740 -4.955 -1.877 784 HB3 PHE 102 HB1 PHE 102 -4.736 -5.991 -2.879 785 H SER 103 HN SER 103 -6.044 -5.694 -5.582 786 HA SER 103 HA SER 103 -3.550 -6.397 -6.731 787 HG SER 103 HG SER 103 -5.115 -8.515 -8.914 788 HB2 SER 103 HB2 SER 103 -5.495 -7.884 -6.881 789 HB3 SER 103 HB1 SER 103 -6.358 -6.682 -7.839 790 H THR 104 HN THR 104 -6.151 -4.175 -7.702 791 HA THR 104 HA THR 104 -5.057 -3.351 -10.139 792 HB THR 104 HB THR 104 -6.738 -1.683 -8.233 793 HG1 THR 104 HG1 THR 104 -7.939 -3.446 -8.814 794 HG21 THR 104 HG21 THR 104 -7.344 -0.829 -10.740 795 HG22 THR 104 HG22 THR 104 -5.638 -1.230 -10.939 796 HG23 THR 104 HG23 THR 104 -6.131 -0.071 -9.707 797 H LEU 105 HN LEU 105 -4.594 -2.121 -6.859 798 HA LEU 105 HA LEU 105 -3.013 0.098 -7.408 799 HG LEU 105 HG LEU 105 -0.926 -0.178 -5.034 800 HB2 LEU 105 HB2 LEU 105 -3.918 -0.548 -5.178 801 HB3 LEU 105 HB1 LEU 105 -2.709 -1.813 -5.088 802 HD11 LEU 105 HD11 LEU 105 -3.082 1.921 -5.204 803 HD12 LEU 105 HD12 LEU 105 -1.975 1.492 -6.507 804 HD13 LEU 105 HD13 LEU 105 -1.355 2.204 -5.020 805 HD21 LEU 105 HD21 LEU 105 -1.944 -0.793 -2.918 806 HD22 LEU 105 HD22 LEU 105 -3.148 0.481 -3.106 807 HD23 LEU 105 HD23 LEU 105 -1.450 0.899 -2.892 808 H VAL 106 HN VAL 106 -2.250 -3.298 -7.463 809 HA VAL 106 HA VAL 106 0.581 -3.033 -7.494 810 HB VAL 106 HB VAL 106 -1.054 -5.286 -8.674 811 HG11 VAL 106 HG11 VAL 106 0.926 -6.634 -8.254 812 HG12 VAL 106 HG12 VAL 106 1.758 -5.230 -7.592 813 HG13 VAL 106 HG13 VAL 106 1.320 -5.268 -9.298 814 HG21 VAL 106 HG21 VAL 106 -1.844 -5.233 -6.506 815 HG22 VAL 106 HG22 VAL 106 -0.322 -4.634 -5.853 816 HG23 VAL 106 HG23 VAL 106 -0.462 -6.318 -6.359 817 H ALA 107 HN ALA 107 -1.910 -3.262 -9.986 818 HA ALA 107 HA ALA 107 -0.049 -3.151 -12.168 819 HB1 ALA 107 HB1 ALA 107 -3.037 -2.715 -12.124 820 HB2 ALA 107 HB2 ALA 107 -2.217 -4.245 -12.429 821 HB3 ALA 107 HB3 ALA 107 -2.048 -2.911 -13.570 822 H GLU 108 HN GLU 108 -1.812 -0.889 -10.213 823 HA GLU 108 HA GLU 108 -1.900 1.382 -11.751 824 HB2 GLU 108 HB2 GLU 108 -1.422 0.965 -8.820 825 HB3 GLU 108 HB1 GLU 108 -1.458 2.586 -9.511 826 HG2 GLU 108 HG2 GLU 108 -3.683 0.642 -9.940 827 HG3 GLU 108 HG1 GLU 108 -3.625 1.695 -8.528 828 H SER 109 HN SER 109 0.641 0.690 -9.377 829 HA SER 109 HA SER 109 2.414 2.665 -10.300 830 HG SER 109 HG SER 109 4.646 2.283 -8.609 831 HB2 SER 109 HB2 SER 109 2.637 1.847 -8.064 832 HB3 SER 109 HB1 SER 109 2.825 0.186 -8.625 Start of MODEL 19 1 HA SER 1 HA SER 1 5.400 -12.188 6.919 2 HG SER 1 HG SER 1 2.919 -12.462 5.572 3 H1 SER 1 HT1 SER 1 6.333 -11.069 8.831 4 H2 SER 1 HT2 SER 1 4.956 -11.952 9.262 5 H3 SER 1 HT3 SER 1 4.867 -10.269 9.110 6 HB2 SER 1 HB2 SER 1 3.068 -12.241 7.678 7 HB3 SER 1 HB1 SER 1 2.965 -10.488 7.516 8 H MET 2 HN MET 2 4.736 -10.907 4.798 9 HA MET 2 HA MET 2 5.008 -9.119 3.380 10 HB2 MET 2 HB2 MET 2 4.641 -7.610 5.391 11 HB3 MET 2 HB1 MET 2 6.391 -7.584 5.576 12 HG2 MET 2 HG2 MET 2 6.541 -6.732 3.231 13 HG3 MET 2 HG1 MET 2 4.785 -6.571 3.245 14 HE1 MET 2 HE1 MET 2 8.178 -5.338 4.787 15 HE2 MET 2 HE2 MET 2 7.322 -5.926 6.213 16 HE3 MET 2 HE3 MET 2 7.626 -4.201 6.015 17 H THR 3 HN THR 3 7.667 -10.065 5.507 18 HA THR 3 HA THR 3 9.721 -9.270 3.694 19 HB THR 3 HB THR 3 11.244 -10.531 5.123 20 HG1 THR 3 HG1 THR 3 9.777 -12.299 5.547 21 HG21 THR 3 HG21 THR 3 10.539 -8.306 5.866 22 HG22 THR 3 HG22 THR 3 10.834 -9.372 7.238 23 HG23 THR 3 HG23 THR 3 9.181 -9.023 6.734 24 H ASP 4 HN ASP 4 7.877 -12.201 4.229 25 HA ASP 4 HA ASP 4 9.532 -13.860 2.580 26 HB2 ASP 4 HB2 ASP 4 6.684 -14.293 3.506 27 HB3 ASP 4 HB1 ASP 4 7.742 -15.519 2.815 28 H LEU 5 HN LEU 5 6.896 -11.690 2.041 29 HA LEU 5 HA LEU 5 6.563 -12.695 -0.700 30 HG LEU 5 HG LEU 5 3.154 -12.714 0.833 31 HB2 LEU 5 HB2 LEU 5 4.785 -10.749 0.749 32 HB3 LEU 5 HB1 LEU 5 4.440 -11.588 -0.746 33 HD11 LEU 5 HD11 LEU 5 5.505 -14.481 1.130 34 HD12 LEU 5 HD12 LEU 5 4.996 -14.061 -0.504 35 HD13 LEU 5 HD13 LEU 5 3.863 -14.848 0.595 36 HD21 LEU 5 HD21 LEU 5 3.821 -13.302 3.043 37 HD22 LEU 5 HD22 LEU 5 4.248 -11.609 2.795 38 HD23 LEU 5 HD23 LEU 5 5.493 -12.852 2.721 39 H LEU 6 HN LEU 6 6.586 -9.579 1.033 40 HA LEU 6 HA LEU 6 7.419 -8.209 -1.389 41 HG LEU 6 HG LEU 6 4.858 -7.893 0.840 42 HB2 LEU 6 HB2 LEU 6 7.009 -7.066 1.373 43 HB3 LEU 6 HB1 LEU 6 7.122 -6.171 -0.130 44 HD11 LEU 6 HD11 LEU 6 4.872 -5.577 1.574 45 HD12 LEU 6 HD12 LEU 6 3.563 -5.861 0.427 46 HD13 LEU 6 HD13 LEU 6 5.029 -5.033 -0.095 47 HD21 LEU 6 HD21 LEU 6 4.991 -8.593 -1.380 48 HD22 LEU 6 HD22 LEU 6 5.519 -7.011 -1.948 49 HD23 LEU 6 HD23 LEU 6 3.851 -7.250 -1.438 50 H SER 7 HN SER 7 9.370 -7.128 -1.662 51 HA SER 7 HA SER 7 11.640 -8.308 -0.532 52 HG SER 7 HG SER 7 11.483 -5.072 -2.971 53 HB2 SER 7 HB2 SER 7 12.827 -6.246 -1.523 54 HB3 SER 7 HB1 SER 7 11.949 -7.297 -2.639 55 H ALA 8 HN ALA 8 12.193 -8.155 1.564 56 HA ALA 8 HA ALA 8 11.304 -6.139 3.317 57 HB1 ALA 8 HB1 ALA 8 13.621 -8.034 3.669 58 HB2 ALA 8 HB2 ALA 8 11.937 -8.378 4.065 59 HB3 ALA 8 HB3 ALA 8 12.814 -7.129 4.947 60 H GLU 9 HN GLU 9 14.402 -6.597 1.668 61 HA GLU 9 HA GLU 9 15.808 -4.496 2.882 62 HB2 GLU 9 HB2 GLU 9 16.999 -6.152 1.639 63 HB3 GLU 9 HB1 GLU 9 16.075 -5.810 0.184 64 HG2 GLU 9 HG2 GLU 9 18.198 -4.842 -0.121 65 HG3 GLU 9 HG1 GLU 9 17.071 -3.523 0.205 66 H ASP 10 HN ASP 10 13.974 -4.581 -0.137 67 HA ASP 10 HA ASP 10 14.411 -1.950 -0.978 68 HB2 ASP 10 HB2 ASP 10 12.089 -3.805 -1.376 69 HB3 ASP 10 HB1 ASP 10 12.315 -2.315 -2.288 70 H ILE 11 HN ILE 11 11.659 -3.323 0.777 71 HA ILE 11 HA ILE 11 10.079 -1.059 1.015 72 HB ILE 11 HB ILE 11 10.432 -3.313 2.978 73 HG12 ILE 11 HG12 ILE 11 8.173 -3.172 1.049 74 HG13 ILE 11 HG11 ILE 11 9.741 -3.719 0.470 75 HG21 ILE 11 HG21 ILE 11 8.205 -2.771 3.789 76 HG22 ILE 11 HG22 ILE 11 8.073 -1.458 2.616 77 HG23 ILE 11 HG23 ILE 11 9.251 -1.356 3.928 78 HD11 ILE 11 HD11 ILE 11 8.581 -5.658 1.055 79 HD12 ILE 11 HD12 ILE 11 7.969 -4.949 2.548 80 HD13 ILE 11 HD13 ILE 11 9.676 -5.371 2.406 81 H LYS 12 HN LYS 12 12.436 -2.318 3.392 82 HA LYS 12 HA LYS 12 12.152 -0.295 5.280 83 HB2 LYS 12 HB2 LYS 12 13.389 -2.416 5.639 84 HB3 LYS 12 HB1 LYS 12 14.687 -1.804 4.621 85 HG2 LYS 12 HG2 LYS 12 15.131 -0.025 6.184 86 HG3 LYS 12 HG1 LYS 12 13.750 -0.506 7.168 87 HD2 LYS 12 HD2 LYS 12 15.860 -1.304 8.125 88 HD3 LYS 12 HD1 LYS 12 14.820 -2.646 7.646 89 HE2 LYS 12 HE2 LYS 12 16.097 -2.866 5.557 90 HE3 LYS 12 HE1 LYS 12 17.153 -1.554 6.075 91 HZ1 LYS 12 HZ1 LYS 12 16.820 -4.165 7.452 92 HZ2 LYS 12 HZ2 LYS 12 17.812 -2.901 7.981 93 HZ3 LYS 12 HZ3 LYS 12 18.155 -3.692 6.526 94 H LYS 13 HN LYS 13 14.369 -0.498 2.524 95 HA LYS 13 HA LYS 13 15.689 1.960 3.015 96 HB2 LYS 13 HB2 LYS 13 15.336 0.471 0.411 97 HB3 LYS 13 HB1 LYS 13 16.526 1.726 0.728 98 HG2 LYS 13 HG2 LYS 13 17.790 0.360 2.107 99 HG3 LYS 13 HG1 LYS 13 16.453 -0.757 2.389 100 HD2 LYS 13 HD2 LYS 13 18.193 -1.674 0.877 101 HD3 LYS 13 HD1 LYS 13 16.597 -1.579 0.126 102 HE2 LYS 13 HE2 LYS 13 18.363 -0.830 -1.398 103 HE3 LYS 13 HE1 LYS 13 17.236 0.472 -1.014 104 HZ1 LYS 13 HZ1 LYS 13 19.524 1.237 -0.950 105 HZ2 LYS 13 HZ2 LYS 13 19.912 0.077 0.217 106 HZ3 LYS 13 HZ3 LYS 13 18.833 1.324 0.592 107 H ALA 14 HN ALA 14 13.106 1.057 0.755 108 HA ALA 14 HA ALA 14 12.755 3.633 -0.341 109 HB1 ALA 14 HB1 ALA 14 10.620 1.529 -0.236 110 HB2 ALA 14 HB2 ALA 14 12.021 1.395 -1.296 111 HB3 ALA 14 HB3 ALA 14 10.904 2.750 -1.477 112 H ILE 15 HN ILE 15 10.845 1.878 2.101 113 HA ILE 15 HA ILE 15 8.936 3.829 2.545 114 HB ILE 15 HB ILE 15 9.948 1.610 4.254 115 HG12 ILE 15 HG12 ILE 15 7.546 2.322 2.617 116 HG13 ILE 15 HG11 ILE 15 8.712 1.052 2.313 117 HG21 ILE 15 HG21 ILE 15 8.255 2.012 5.889 118 HG22 ILE 15 HG22 ILE 15 7.572 3.337 4.952 119 HG23 ILE 15 HG23 ILE 15 9.144 3.525 5.730 120 HD11 ILE 15 HD11 ILE 15 6.824 -0.054 3.077 121 HD12 ILE 15 HD12 ILE 15 6.510 1.182 4.287 122 HD13 ILE 15 HD13 ILE 15 7.845 0.051 4.515 123 H GLY 16 HN GLY 16 12.057 3.337 4.196 124 HA2 GLY 16 HA2 GLY 16 11.691 5.595 5.939 125 HA3 GLY 16 HA1 GLY 16 13.159 4.651 5.749 126 H ALA 17 HN ALA 17 13.416 5.006 2.924 127 HA ALA 17 HA ALA 17 14.749 7.541 2.905 128 HB1 ALA 17 HB1 ALA 17 15.499 6.944 0.716 129 HB2 ALA 17 HB2 ALA 17 14.247 5.705 0.571 130 HB3 ALA 17 HB3 ALA 17 15.567 5.498 1.728 131 H PHE 18 HN PHE 18 11.538 6.769 2.460 132 HA PHE 18 HA PHE 18 11.143 8.990 0.575 133 HD1 PHE 18 HD2 PHE 18 11.856 8.394 -1.036 134 HD2 PHE 18 HD1 PHE 18 8.999 5.247 -1.007 135 HE1 PHE 18 HE2 PHE 18 12.720 7.593 -3.192 136 HE2 PHE 18 HE1 PHE 18 9.844 4.443 -3.165 137 HZ PHE 18 HZ PHE 18 11.715 5.616 -4.264 138 HB2 PHE 18 HB2 PHE 18 9.596 6.464 1.037 139 HB3 PHE 18 HB1 PHE 18 8.864 7.844 0.242 140 H THR 19 HN THR 19 11.090 10.597 2.177 141 HA THR 19 HA THR 19 8.989 10.443 4.192 142 HB THR 19 HB THR 19 10.999 12.637 3.627 143 HG1 THR 19 HG1 THR 19 12.262 11.586 4.972 144 HG21 THR 19 HG21 THR 19 8.987 13.532 4.673 145 HG22 THR 19 HG22 THR 19 10.324 13.524 5.823 146 HG23 THR 19 HG23 THR 19 9.067 12.291 5.925 147 H ALA 20 HN ALA 20 9.917 12.372 1.410 148 HA ALA 20 HA ALA 20 7.334 13.703 1.308 149 HB1 ALA 20 HB1 ALA 20 9.318 15.112 1.128 150 HB2 ALA 20 HB2 ALA 20 8.373 15.155 -0.361 151 HB3 ALA 20 HB3 ALA 20 9.850 14.194 -0.280 152 H ALA 21 HN ALA 21 9.443 11.524 -0.494 153 HA ALA 21 HA ALA 21 8.220 11.374 -2.942 154 HB1 ALA 21 HB1 ALA 21 9.048 9.074 -3.100 155 HB2 ALA 21 HB2 ALA 21 9.345 9.068 -1.361 156 HB3 ALA 21 HB3 ALA 21 10.259 10.155 -2.407 157 H ASP 22 HN ASP 22 7.530 9.066 -0.339 158 HA ASP 22 HA ASP 22 5.169 8.054 -1.453 159 HB2 ASP 22 HB2 ASP 22 5.898 8.283 1.482 160 HB3 ASP 22 HB1 ASP 22 4.633 7.252 0.824 161 H SER 23 HN SER 23 5.896 10.862 0.430 162 HA SER 23 HA SER 23 3.341 11.647 1.235 163 HG SER 23 HG SER 23 4.747 13.416 3.137 164 HB2 SER 23 HB2 SER 23 5.896 12.531 1.619 165 HB3 SER 23 HB1 SER 23 5.275 13.757 0.514 166 H PHE 24 HN PHE 24 5.098 11.979 -1.766 167 HA PHE 24 HA PHE 24 3.061 13.738 -2.900 168 HD1 PHE 24 HD1 PHE 24 4.839 12.325 -6.290 169 HD2 PHE 24 HD2 PHE 24 4.227 16.085 -4.396 170 HE1 PHE 24 HE1 PHE 24 4.227 13.313 -8.459 171 HE2 PHE 24 HE2 PHE 24 3.613 17.081 -6.559 172 HZ PHE 24 HZ PHE 24 3.614 15.696 -8.595 173 HB2 PHE 24 HB2 PHE 24 5.417 14.310 -3.278 174 HB3 PHE 24 HB1 PHE 24 5.675 12.753 -4.059 175 H ASP 25 HN ASP 25 4.576 10.577 -3.589 176 HA ASP 25 HA ASP 25 2.098 9.591 -4.667 177 HB2 ASP 25 HB2 ASP 25 2.849 10.757 -6.630 178 HB3 ASP 25 HB1 ASP 25 4.461 10.063 -6.489 179 H HIS 26 HN HIS 26 2.116 7.826 -3.382 180 HA HIS 26 HA HIS 26 4.449 6.275 -2.863 181 HD1 HIS 26 HD1 HIS 26 2.828 4.138 0.254 182 HD2 HIS 26 HD2 HIS 26 2.049 3.259 -3.733 183 HE1 HIS 26 HE1 HIS 26 2.533 1.644 0.162 184 HE2 HIS 26 HE2 HIS 26 1.957 1.150 -2.235 185 HB2 HIS 26 HB2 HIS 26 2.940 6.132 -1.144 186 HB3 HIS 26 HB1 HIS 26 1.540 6.059 -2.197 187 H LYS 27 HN LYS 27 2.201 6.342 -5.473 188 HA LYS 27 HA LYS 27 2.120 3.786 -6.402 189 HB2 LYS 27 HB2 LYS 27 2.514 6.317 -7.978 190 HB3 LYS 27 HB1 LYS 27 1.997 4.797 -8.662 191 HG2 LYS 27 HG2 LYS 27 0.517 6.592 -6.774 192 HG3 LYS 27 HG1 LYS 27 0.065 6.115 -8.414 193 HD2 LYS 27 HD2 LYS 27 0.310 4.223 -6.101 194 HD3 LYS 27 HD1 LYS 27 -1.210 4.951 -6.615 195 HE2 LYS 27 HE2 LYS 27 -0.978 3.895 -8.801 196 HE3 LYS 27 HE1 LYS 27 0.570 3.202 -8.315 197 HZ1 LYS 27 HZ1 LYS 27 -0.765 2.127 -6.444 198 HZ2 LYS 27 HZ2 LYS 27 -0.948 1.492 -7.998 199 HZ3 LYS 27 HZ3 LYS 27 -2.138 2.511 -7.357 200 H LYS 28 HN LYS 28 4.668 6.196 -7.024 201 HA LYS 28 HA LYS 28 6.385 4.512 -8.471 202 HB2 LYS 28 HB2 LYS 28 7.006 6.852 -6.651 203 HB3 LYS 28 HB1 LYS 28 8.189 6.084 -7.699 204 HG2 LYS 28 HG2 LYS 28 5.714 6.987 -9.013 205 HG3 LYS 28 HG1 LYS 28 6.770 8.256 -8.387 206 HD2 LYS 28 HD2 LYS 28 7.286 7.701 -10.724 207 HD3 LYS 28 HD1 LYS 28 8.640 7.350 -9.647 208 HE2 LYS 28 HE2 LYS 28 7.933 4.979 -9.601 209 HE3 LYS 28 HE1 LYS 28 6.664 5.362 -10.763 210 HZ1 LYS 28 HZ1 LYS 28 8.586 4.454 -11.877 211 HZ2 LYS 28 HZ2 LYS 28 9.587 5.644 -11.211 212 HZ3 LYS 28 HZ3 LYS 28 8.387 6.074 -12.322 213 H PHE 29 HN PHE 29 6.147 5.266 -5.032 214 HA PHE 29 HA PHE 29 8.214 3.662 -4.101 215 HD1 PHE 29 HD2 PHE 29 8.814 3.373 -1.359 216 HD2 PHE 29 HD1 PHE 29 4.587 3.055 -1.579 217 HE1 PHE 29 HE2 PHE 29 8.841 1.778 0.515 218 HE2 PHE 29 HE1 PHE 29 4.602 1.464 0.294 219 HZ PHE 29 HZ PHE 29 6.722 0.814 1.332 220 HB2 PHE 29 HB2 PHE 29 7.302 5.112 -2.508 221 HB3 PHE 29 HB1 PHE 29 5.641 4.637 -2.860 222 H PHE 30 HN PHE 30 4.900 2.854 -4.994 223 HA PHE 30 HA PHE 30 4.683 0.277 -4.005 224 HD1 PHE 30 HD1 PHE 30 3.302 -1.825 -6.093 225 HD2 PHE 30 HD2 PHE 30 1.362 1.476 -4.242 226 HE1 PHE 30 HE1 PHE 30 1.534 -3.327 -5.285 227 HE2 PHE 30 HE2 PHE 30 -0.411 -0.022 -3.427 228 HZ PHE 30 HZ PHE 30 -0.327 -2.428 -3.949 229 HB2 PHE 30 HB2 PHE 30 3.169 1.855 -5.659 230 HB3 PHE 30 HB1 PHE 30 3.711 0.601 -6.763 231 H GLN 31 HN GLN 31 6.481 1.521 -6.698 232 HA GLN 31 HA GLN 31 7.204 -1.074 -7.742 233 HB2 GLN 31 HB2 GLN 31 8.432 1.539 -8.532 234 HB3 GLN 31 HB1 GLN 31 8.224 0.095 -9.506 235 HG2 GLN 31 HG2 GLN 31 5.768 0.496 -9.413 236 HG3 GLN 31 HG1 GLN 31 6.102 2.021 -8.604 237 HE21 GLN 31 HE21 GLN 31 5.168 3.209 -10.274 238 HE22 GLN 31 HE22 GLN 31 5.953 3.416 -11.800 239 H MET 32 HN MET 32 8.762 1.543 -5.956 240 HA MET 32 HA MET 32 11.351 0.364 -5.923 241 HB2 MET 32 HB2 MET 32 10.477 2.248 -3.793 242 HB3 MET 32 HB1 MET 32 12.015 2.150 -4.639 243 HG2 MET 32 HG2 MET 32 9.439 3.341 -5.569 244 HG3 MET 32 HG1 MET 32 11.011 4.104 -5.379 245 HE1 MET 32 HE1 MET 32 13.044 2.538 -8.340 246 HE2 MET 32 HE2 MET 32 12.932 1.922 -6.691 247 HE3 MET 32 HE3 MET 32 13.088 3.656 -6.976 248 H VAL 33 HN VAL 33 8.582 0.291 -3.826 249 HA VAL 33 HA VAL 33 9.765 -0.878 -1.554 250 HB VAL 33 HB VAL 33 7.606 0.302 -1.545 251 HG11 VAL 33 HG11 VAL 33 6.298 -2.128 -2.663 252 HG12 VAL 33 HG12 VAL 33 6.931 -0.887 -3.743 253 HG13 VAL 33 HG13 VAL 33 5.692 -0.476 -2.555 254 HG21 VAL 33 HG21 VAL 33 7.392 -2.547 -0.616 255 HG22 VAL 33 HG22 VAL 33 6.425 -1.185 -0.057 256 HG23 VAL 33 HG23 VAL 33 8.155 -1.229 0.274 257 H GLY 34 HN GLY 34 8.755 -2.185 -4.557 258 HA2 GLY 34 HA2 GLY 34 9.272 -4.314 -5.368 259 HA3 GLY 34 HA1 GLY 34 9.667 -4.813 -3.732 260 H LEU 35 HN LEU 35 6.652 -3.213 -4.212 261 HA LEU 35 HA LEU 35 5.181 -5.457 -3.257 262 HG LEU 35 HG LEU 35 4.255 -4.235 -1.717 263 HB2 LEU 35 HB2 LEU 35 4.654 -2.680 -3.944 264 HB3 LEU 35 HB1 LEU 35 3.356 -3.734 -4.468 265 HD11 LEU 35 HD11 LEU 35 3.035 -2.260 -0.834 266 HD12 LEU 35 HD12 LEU 35 3.010 -1.598 -2.465 267 HD13 LEU 35 HD13 LEU 35 4.547 -1.862 -1.646 268 HD21 LEU 35 HD21 LEU 35 2.211 -5.082 -1.620 269 HD22 LEU 35 HD22 LEU 35 2.022 -4.682 -3.327 270 HD23 LEU 35 HD23 LEU 35 1.494 -3.540 -2.092 271 H LYS 36 HN LYS 36 5.900 -4.091 -6.385 272 HA LYS 36 HA LYS 36 4.125 -5.845 -7.813 273 HB2 LYS 36 HB2 LYS 36 6.346 -4.011 -8.711 274 HB3 LYS 36 HB1 LYS 36 5.366 -4.960 -9.822 275 HG2 LYS 36 HG2 LYS 36 3.641 -3.535 -9.696 276 HG3 LYS 36 HG1 LYS 36 3.802 -3.353 -7.946 277 HD2 LYS 36 HD2 LYS 36 4.226 -1.233 -9.252 278 HD3 LYS 36 HD1 LYS 36 5.546 -1.743 -8.207 279 HE2 LYS 36 HE2 LYS 36 6.337 -1.009 -10.389 280 HE3 LYS 36 HE1 LYS 36 6.713 -2.703 -10.106 281 HZ1 LYS 36 HZ1 LYS 36 5.881 -2.346 -12.344 282 HZ2 LYS 36 HZ2 LYS 36 4.452 -1.674 -11.738 283 HZ3 LYS 36 HZ3 LYS 36 4.802 -3.306 -11.462 284 H LYS 37 HN LYS 37 7.209 -6.165 -6.391 285 HA LYS 37 HA LYS 37 8.606 -7.799 -8.119 286 HB2 LYS 37 HB2 LYS 37 9.474 -6.873 -5.979 287 HB3 LYS 37 HB1 LYS 37 8.526 -8.067 -5.099 288 HG2 LYS 37 HG2 LYS 37 10.067 -9.408 -7.082 289 HG3 LYS 37 HG1 LYS 37 11.124 -8.333 -6.165 290 HD2 LYS 37 HD2 LYS 37 9.194 -10.253 -4.874 291 HD3 LYS 37 HD1 LYS 37 10.870 -10.665 -5.240 292 HE2 LYS 37 HE2 LYS 37 11.625 -8.800 -3.842 293 HE3 LYS 37 HE1 LYS 37 9.946 -8.400 -3.473 294 HZ1 LYS 37 HZ1 LYS 37 9.684 -10.490 -2.363 295 HZ2 LYS 37 HZ2 LYS 37 11.049 -9.720 -1.728 296 HZ3 LYS 37 HZ3 LYS 37 11.232 -10.996 -2.822 297 H LYS 38 HN LYS 38 5.742 -8.496 -6.330 298 HA LYS 38 HA LYS 38 5.854 -11.257 -7.328 299 HB2 LYS 38 HB2 LYS 38 4.976 -10.354 -4.588 300 HB3 LYS 38 HB1 LYS 38 4.620 -11.946 -5.239 301 HG2 LYS 38 HG2 LYS 38 7.158 -12.147 -5.578 302 HG3 LYS 38 HG1 LYS 38 7.261 -10.780 -4.463 303 HD2 LYS 38 HD2 LYS 38 6.028 -12.039 -2.783 304 HD3 LYS 38 HD1 LYS 38 5.872 -13.397 -3.901 305 HE2 LYS 38 HE2 LYS 38 8.472 -12.272 -2.864 306 HE3 LYS 38 HE1 LYS 38 7.681 -13.727 -2.260 307 HZ1 LYS 38 HZ1 LYS 38 9.442 -14.237 -3.843 308 HZ2 LYS 38 HZ2 LYS 38 8.656 -13.335 -5.038 309 HZ3 LYS 38 HZ3 LYS 38 7.935 -14.738 -4.429 310 H SER 39 HN SER 39 3.437 -12.197 -6.723 311 HA SER 39 HA SER 39 1.714 -10.580 -8.408 312 HG SER 39 HG SER 39 2.253 -13.781 -6.817 313 HB2 SER 39 HB2 SER 39 0.218 -12.557 -8.365 314 HB3 SER 39 HB1 SER 39 1.857 -12.966 -8.873 315 H ALA 40 HN ALA 40 -0.702 -10.594 -7.767 316 HA ALA 40 HA ALA 40 -1.105 -8.919 -5.626 317 HB1 ALA 40 HB1 ALA 40 -3.262 -10.818 -6.442 318 HB2 ALA 40 HB2 ALA 40 -2.662 -9.612 -7.579 319 HB3 ALA 40 HB3 ALA 40 -3.367 -9.101 -6.044 320 H ASP 41 HN ASP 41 -1.570 -12.447 -5.706 321 HA ASP 41 HA ASP 41 -2.543 -12.826 -3.149 322 HB2 ASP 41 HB2 ASP 41 -1.508 -15.119 -3.315 323 HB3 ASP 41 HB1 ASP 41 -2.538 -14.664 -4.669 324 H ASP 42 HN ASP 42 0.808 -12.429 -4.196 325 HA ASP 42 HA ASP 42 1.946 -13.059 -1.664 326 HB2 ASP 42 HB2 ASP 42 3.087 -11.495 -3.991 327 HB3 ASP 42 HB1 ASP 42 4.012 -12.048 -2.598 328 H VAL 43 HN VAL 43 1.409 -9.950 -3.331 329 HA VAL 43 HA VAL 43 2.248 -8.295 -1.237 330 HB VAL 43 HB VAL 43 0.817 -6.532 -2.302 331 HG11 VAL 43 HG11 VAL 43 2.750 -8.147 -3.938 332 HG12 VAL 43 HG12 VAL 43 3.034 -6.629 -3.080 333 HG13 VAL 43 HG13 VAL 43 2.043 -6.649 -4.539 334 HG21 VAL 43 HG21 VAL 43 0.092 -8.804 -4.140 335 HG22 VAL 43 HG22 VAL 43 -0.233 -7.108 -4.475 336 HG23 VAL 43 HG23 VAL 43 -1.001 -7.897 -3.098 337 H LYS 44 HN LYS 44 -0.857 -9.794 -1.896 338 HA LYS 44 HA LYS 44 -2.524 -8.405 -0.211 339 HB2 LYS 44 HB2 LYS 44 -2.422 -11.271 -1.066 340 HB3 LYS 44 HB1 LYS 44 -3.603 -10.772 0.139 341 HG2 LYS 44 HG2 LYS 44 -4.439 -9.078 -1.463 342 HG3 LYS 44 HG1 LYS 44 -3.334 -9.725 -2.670 343 HD2 LYS 44 HD2 LYS 44 -4.435 -11.932 -2.374 344 HD3 LYS 44 HD1 LYS 44 -5.611 -11.159 -1.318 345 HE2 LYS 44 HE2 LYS 44 -6.462 -11.402 -3.602 346 HE3 LYS 44 HE1 LYS 44 -6.315 -9.709 -3.139 347 HZ1 LYS 44 HZ1 LYS 44 -5.501 -10.158 -5.394 348 HZ2 LYS 44 HZ2 LYS 44 -4.321 -11.191 -4.762 349 HZ3 LYS 44 HZ3 LYS 44 -4.289 -9.541 -4.388 350 H LYS 45 HN LYS 45 0.051 -10.570 0.609 351 HA LYS 45 HA LYS 45 -0.753 -11.374 3.168 352 HB2 LYS 45 HB2 LYS 45 1.889 -11.135 1.778 353 HB3 LYS 45 HB1 LYS 45 1.852 -11.455 3.508 354 HG2 LYS 45 HG2 LYS 45 2.037 -13.514 2.225 355 HG3 LYS 45 HG1 LYS 45 0.522 -13.456 3.128 356 HD2 LYS 45 HD2 LYS 45 -0.580 -12.624 1.030 357 HD3 LYS 45 HD1 LYS 45 0.929 -12.968 0.181 358 HE2 LYS 45 HE2 LYS 45 -0.610 -14.815 -0.092 359 HE3 LYS 45 HE1 LYS 45 0.764 -15.318 0.891 360 HZ1 LYS 45 HZ1 LYS 45 -1.336 -16.113 1.797 361 HZ2 LYS 45 HZ2 LYS 45 -1.899 -14.525 1.944 362 HZ3 LYS 45 HZ3 LYS 45 -0.582 -15.044 2.870 363 H VAL 46 HN VAL 46 1.344 -8.666 2.148 364 HA VAL 46 HA VAL 46 1.627 -7.619 4.742 365 HB VAL 46 HB VAL 46 2.990 -6.992 2.657 366 HG11 VAL 46 HG11 VAL 46 0.619 -5.201 2.247 367 HG12 VAL 46 HG12 VAL 46 1.394 -6.293 1.107 368 HG13 VAL 46 HG13 VAL 46 2.221 -4.829 1.614 369 HG21 VAL 46 HG21 VAL 46 3.462 -4.737 3.564 370 HG22 VAL 46 HG22 VAL 46 3.402 -6.003 4.791 371 HG23 VAL 46 HG23 VAL 46 2.040 -4.900 4.598 372 H PHE 47 HN PHE 47 -0.893 -7.463 2.397 373 HA PHE 47 HA PHE 47 -2.220 -5.195 3.466 374 HD1 PHE 47 HD2 PHE 47 -3.187 -3.718 1.439 375 HD2 PHE 47 HD1 PHE 47 -5.724 -7.017 2.301 376 HE1 PHE 47 HE2 PHE 47 -5.144 -2.232 1.330 377 HE2 PHE 47 HE1 PHE 47 -7.687 -5.537 2.204 378 HZ PHE 47 HZ PHE 47 -7.396 -3.146 1.718 379 HB2 PHE 47 HB2 PHE 47 -2.469 -6.108 1.132 380 HB3 PHE 47 HB1 PHE 47 -3.467 -7.377 1.841 381 H HIS 48 HN HIS 48 -2.468 -8.667 3.925 382 HA HIS 48 HA HIS 48 -4.874 -8.622 5.412 383 HD1 HIS 48 HD1 HIS 48 -5.839 -12.218 5.164 384 HD2 HIS 48 HD2 HIS 48 -3.446 -10.818 8.259 385 HE1 HIS 48 HE1 HIS 48 -6.680 -13.367 7.237 386 HE2 HIS 48 HE2 HIS 48 -5.256 -12.460 9.106 387 HB2 HIS 48 HB2 HIS 48 -4.106 -10.672 4.345 388 HB3 HIS 48 HB1 HIS 48 -2.649 -10.674 5.333 389 H ILE 49 HN ILE 49 -1.450 -8.606 6.355 390 HA ILE 49 HA ILE 49 -1.641 -8.872 9.083 391 HB ILE 49 HB ILE 49 0.100 -6.750 7.848 392 HG12 ILE 49 HG12 ILE 49 0.580 -8.543 6.417 393 HG13 ILE 49 HG11 ILE 49 1.811 -8.671 7.664 394 HG21 ILE 49 HG21 ILE 49 1.682 -7.603 9.631 395 HG22 ILE 49 HG22 ILE 49 0.312 -8.509 10.277 396 HG23 ILE 49 HG23 ILE 49 0.247 -6.749 10.198 397 HD11 ILE 49 HD11 ILE 49 0.573 -10.446 8.745 398 HD12 ILE 49 HD12 ILE 49 0.884 -10.843 7.055 399 HD13 ILE 49 HD13 ILE 49 -0.717 -10.297 7.554 400 H LEU 50 HN LEU 50 -1.930 -5.902 7.182 401 HA LEU 50 HA LEU 50 -2.790 -4.376 9.470 402 HG LEU 50 HG LEU 50 -2.672 -4.555 5.799 403 HB2 LEU 50 HB2 LEU 50 -2.703 -2.514 7.964 404 HB3 LEU 50 HB1 LEU 50 -1.270 -3.491 7.761 405 HD11 LEU 50 HD11 LEU 50 -3.869 -1.812 6.132 406 HD12 LEU 50 HD12 LEU 50 -4.713 -3.358 6.137 407 HD13 LEU 50 HD13 LEU 50 -3.971 -2.766 4.654 408 HD21 LEU 50 HD21 LEU 50 -1.599 -2.969 4.275 409 HD22 LEU 50 HD22 LEU 50 -0.509 -3.464 5.569 410 HD23 LEU 50 HD23 LEU 50 -1.287 -1.882 5.627 411 H ASP 51 HN ASP 51 -4.234 -6.007 6.729 412 HA ASP 51 HA ASP 51 -6.835 -4.769 7.347 413 HB2 ASP 51 HB2 ASP 51 -5.943 -4.738 4.979 414 HB3 ASP 51 HB1 ASP 51 -6.135 -6.485 4.961 415 H LYS 52 HN LYS 52 -5.780 -6.815 9.096 416 HA LYS 52 HA LYS 52 -6.877 -9.346 8.444 417 HB2 LYS 52 HB2 LYS 52 -6.334 -9.986 10.692 418 HB3 LYS 52 HB1 LYS 52 -5.038 -8.978 10.069 419 HG2 LYS 52 HG2 LYS 52 -5.774 -7.107 11.357 420 HG3 LYS 52 HG1 LYS 52 -7.228 -7.966 11.857 421 HD2 LYS 52 HD2 LYS 52 -6.068 -9.418 13.224 422 HD3 LYS 52 HD1 LYS 52 -4.515 -9.058 12.462 423 HE2 LYS 52 HE2 LYS 52 -4.534 -6.832 13.418 424 HE3 LYS 52 HE1 LYS 52 -6.136 -7.112 14.097 425 HZ1 LYS 52 HZ1 LYS 52 -3.634 -8.527 14.845 426 HZ2 LYS 52 HZ2 LYS 52 -5.168 -8.899 15.452 427 HZ3 LYS 52 HZ3 LYS 52 -4.470 -7.396 15.788 428 H ASP 53 HN ASP 53 -8.009 -6.740 10.578 429 HA ASP 53 HA ASP 53 -10.667 -8.006 10.563 430 HB2 ASP 53 HB2 ASP 53 -9.632 -7.965 12.797 431 HB3 ASP 53 HB1 ASP 53 -9.451 -6.218 12.682 432 H LYS 54 HN LYS 54 -9.335 -5.952 8.740 433 HA LYS 54 HA LYS 54 -10.827 -3.551 9.235 434 HB2 LYS 54 HB2 LYS 54 -8.636 -3.417 8.275 435 HB3 LYS 54 HB1 LYS 54 -9.142 -4.365 6.885 436 HG2 LYS 54 HG2 LYS 54 -8.991 -1.888 6.522 437 HG3 LYS 54 HG1 LYS 54 -10.533 -2.628 6.102 438 HD2 LYS 54 HD2 LYS 54 -10.822 -0.503 7.309 439 HD3 LYS 54 HD1 LYS 54 -11.497 -1.869 8.198 440 HE2 LYS 54 HE2 LYS 54 -10.275 -0.374 9.686 441 HE3 LYS 54 HE1 LYS 54 -9.500 -1.954 9.599 442 HZ1 LYS 54 HZ1 LYS 54 -7.877 -0.177 9.495 443 HZ2 LYS 54 HZ2 LYS 54 -8.636 0.481 8.134 444 HZ3 LYS 54 HZ3 LYS 54 -7.896 -1.035 8.037 445 H SER 55 HN SER 55 -11.839 -6.460 8.211 446 HA SER 55 HA SER 55 -13.888 -7.076 7.400 447 HG SER 55 HG SER 55 -16.527 -4.971 6.778 448 HB2 SER 55 HB2 SER 55 -14.688 -4.767 8.021 449 HB3 SER 55 HB1 SER 55 -14.302 -4.267 6.374 450 H GLY 56 HN GLY 56 -11.246 -6.284 5.712 451 HA2 GLY 56 HA2 GLY 56 -10.700 -7.453 3.706 452 HA3 GLY 56 HA1 GLY 56 -12.397 -7.418 3.260 453 H PHE 57 HN PHE 57 -12.198 -4.427 4.187 454 HA PHE 57 HA PHE 57 -10.675 -3.363 1.958 455 HD1 PHE 57 HD1 PHE 57 -12.724 -0.378 2.559 456 HD2 PHE 57 HD2 PHE 57 -15.138 -3.850 2.477 457 HE1 PHE 57 HE1 PHE 57 -14.514 0.846 3.779 458 HE2 PHE 57 HE2 PHE 57 -16.930 -2.669 3.692 459 HZ PHE 57 HZ PHE 57 -16.615 -0.311 4.345 460 HB2 PHE 57 HB2 PHE 57 -12.392 -2.135 0.942 461 HB3 PHE 57 HB1 PHE 57 -13.119 -3.726 1.244 462 H ILE 58 HN ILE 58 -9.673 -1.538 2.378 463 HA ILE 58 HA ILE 58 -10.056 -0.369 5.056 464 HB ILE 58 HB ILE 58 -7.725 0.292 3.303 465 HG12 ILE 58 HG12 ILE 58 -7.793 -2.170 5.053 466 HG13 ILE 58 HG11 ILE 58 -8.016 -2.223 3.309 467 HG21 ILE 58 HG21 ILE 58 -6.598 0.442 5.481 468 HG22 ILE 58 HG22 ILE 58 -8.096 -0.057 6.272 469 HG23 ILE 58 HG23 ILE 58 -8.026 1.475 5.406 470 HD11 ILE 58 HD11 ILE 58 -5.788 -1.214 3.032 471 HD12 ILE 58 HD12 ILE 58 -5.751 -2.771 3.856 472 HD13 ILE 58 HD13 ILE 58 -5.570 -1.280 4.781 473 H GLU 59 HN GLU 59 -10.234 1.794 5.349 474 HA GLU 59 HA GLU 59 -11.358 3.196 3.050 475 HB2 GLU 59 HB2 GLU 59 -11.745 3.225 5.974 476 HB3 GLU 59 HB1 GLU 59 -11.963 4.765 5.139 477 HG2 GLU 59 HG2 GLU 59 -13.604 3.664 3.649 478 HG3 GLU 59 HG1 GLU 59 -13.423 2.191 4.599 479 H GLU 60 HN GLU 60 -10.324 4.675 2.106 480 HA GLU 60 HA GLU 60 -7.805 5.510 2.279 481 HB2 GLU 60 HB2 GLU 60 -8.553 7.620 1.188 482 HB3 GLU 60 HB1 GLU 60 -9.232 6.164 0.469 483 HG2 GLU 60 HG2 GLU 60 -11.337 6.570 1.294 484 HG3 GLU 60 HG1 GLU 60 -10.715 7.550 2.616 485 H ASP 61 HN ASP 61 -10.409 6.679 4.306 486 HA ASP 61 HA ASP 61 -8.978 8.906 5.341 487 HB2 ASP 61 HB2 ASP 61 -11.387 7.399 6.383 488 HB3 ASP 61 HB1 ASP 61 -10.774 8.887 7.105 489 H GLU 62 HN GLU 62 -9.793 5.734 6.742 490 HA GLU 62 HA GLU 62 -8.046 6.106 8.995 491 HB2 GLU 62 HB2 GLU 62 -9.515 3.668 7.965 492 HB3 GLU 62 HB1 GLU 62 -8.594 3.704 9.462 493 HG2 GLU 62 HG2 GLU 62 -10.994 5.414 8.850 494 HG3 GLU 62 HG1 GLU 62 -10.997 3.951 9.834 495 H LEU 63 HN LEU 63 -7.750 4.969 5.785 496 HA LEU 63 HA LEU 63 -5.830 3.066 5.814 497 HG LEU 63 HG LEU 63 -5.230 3.473 2.331 498 HB2 LEU 63 HB2 LEU 63 -6.981 4.691 3.947 499 HB3 LEU 63 HB1 LEU 63 -5.290 5.129 3.841 500 HD11 LEU 63 HD11 LEU 63 -4.338 2.488 4.730 501 HD12 LEU 63 HD12 LEU 63 -4.073 1.767 3.148 502 HD13 LEU 63 HD13 LEU 63 -5.417 1.225 4.150 503 HD21 LEU 63 HD21 LEU 63 -6.871 1.689 2.136 504 HD22 LEU 63 HD22 LEU 63 -7.657 3.256 2.316 505 HD23 LEU 63 HD23 LEU 63 -7.564 2.160 3.683 506 H GLY 64 HN GLY 64 -5.330 6.532 5.968 507 HA2 GLY 64 HA2 GLY 64 -2.570 6.634 5.901 508 HA3 GLY 64 HA1 GLY 64 -3.587 7.785 6.768 509 H SER 65 HN SER 65 -4.679 5.879 8.619 510 HA SER 65 HA SER 65 -2.562 5.878 10.556 511 HG SER 65 HG SER 65 -4.347 3.894 12.470 512 HB2 SER 65 HB2 SER 65 -4.934 6.289 11.176 513 HB3 SER 65 HB1 SER 65 -5.321 4.629 10.718 514 H ILE 66 HN ILE 66 -4.599 3.300 9.210 515 HA ILE 66 HA ILE 66 -3.091 1.159 10.199 516 HB ILE 66 HB ILE 66 -5.370 0.872 9.425 517 HG12 ILE 66 HG12 ILE 66 -5.096 -1.201 8.134 518 HG13 ILE 66 HG11 ILE 66 -3.429 -0.736 7.808 519 HG21 ILE 66 HG21 ILE 66 -4.428 1.109 6.597 520 HG22 ILE 66 HG22 ILE 66 -5.061 2.488 7.493 521 HG23 ILE 66 HG23 ILE 66 -6.081 1.078 7.213 522 HD11 ILE 66 HD11 ILE 66 -4.522 -1.167 10.567 523 HD12 ILE 66 HD12 ILE 66 -2.834 -0.955 10.101 524 HD13 ILE 66 HD13 ILE 66 -3.705 -2.412 9.625 525 H LEU 67 HN LEU 67 -2.392 3.335 7.644 526 HA LEU 67 HA LEU 67 -1.012 1.822 5.787 527 HG LEU 67 HG LEU 67 -0.243 3.154 4.067 528 HB2 LEU 67 HB2 LEU 67 -1.199 4.566 6.530 529 HB3 LEU 67 HB1 LEU 67 0.496 4.189 6.312 530 HD11 LEU 67 HD11 LEU 67 -2.206 4.191 3.081 531 HD12 LEU 67 HD12 LEU 67 -2.588 4.933 4.637 532 HD13 LEU 67 HD13 LEU 67 -2.608 3.180 4.466 533 HD21 LEU 67 HD21 LEU 67 1.155 5.105 4.210 534 HD22 LEU 67 HD22 LEU 67 -0.245 6.120 4.552 535 HD23 LEU 67 HD23 LEU 67 -0.076 5.355 2.972 536 H LYS 68 HN LYS 68 -0.175 2.555 9.056 537 HA LYS 68 HA LYS 68 2.552 2.430 9.083 538 HB2 LYS 68 HB2 LYS 68 0.655 1.219 11.082 539 HB3 LYS 68 HB1 LYS 68 2.350 1.603 11.370 540 HG2 LYS 68 HG2 LYS 68 1.973 3.886 11.346 541 HG3 LYS 68 HG1 LYS 68 0.454 3.729 10.455 542 HD2 LYS 68 HD2 LYS 68 -0.023 4.306 12.751 543 HD3 LYS 68 HD1 LYS 68 -0.541 2.645 12.449 544 HE2 LYS 68 HE2 LYS 68 1.515 1.816 13.482 545 HE3 LYS 68 HE1 LYS 68 2.042 3.473 13.772 546 HZ1 LYS 68 HZ1 LYS 68 -0.367 2.186 14.941 547 HZ2 LYS 68 HZ2 LYS 68 0.108 3.789 15.201 548 HZ3 LYS 68 HZ3 LYS 68 1.077 2.519 15.756 549 H GLY 69 HN GLY 69 0.363 -0.171 8.342 550 HA2 GLY 69 HA2 GLY 69 1.717 -2.450 8.995 551 HA3 GLY 69 HA1 GLY 69 0.877 -2.256 7.460 552 H PHE 70 HN PHE 70 2.283 -0.558 6.044 553 HA PHE 70 HA PHE 70 4.882 -1.857 5.746 554 HD1 PHE 70 HD2 PHE 70 1.407 -1.687 4.236 555 HD2 PHE 70 HD1 PHE 70 3.848 1.525 2.871 556 HE1 PHE 70 HE2 PHE 70 -0.605 -0.458 3.540 557 HE2 PHE 70 HE1 PHE 70 1.826 2.767 2.160 558 HZ PHE 70 HZ PHE 70 -0.396 1.763 2.502 559 HB2 PHE 70 HB2 PHE 70 4.841 -0.492 3.512 560 HB3 PHE 70 HB1 PHE 70 3.882 -1.955 3.657 561 H SER 71 HN SER 71 3.324 1.266 6.007 562 HA SER 71 HA SER 71 5.660 2.864 5.853 563 HG SER 71 HG SER 71 2.674 4.185 7.814 564 HB2 SER 71 HB2 SER 71 4.205 4.722 6.472 565 HB3 SER 71 HB1 SER 71 3.465 3.728 5.219 566 H SER 72 HN SER 72 4.902 0.822 8.313 567 HA SER 72 HA SER 72 4.960 2.209 10.666 568 HG SER 72 HG SER 72 7.399 -0.235 9.580 569 HB2 SER 72 HB2 SER 72 6.364 0.272 11.571 570 HB3 SER 72 HB1 SER 72 4.838 -0.157 10.801 571 H ASP 73 HN ASP 73 7.534 1.964 8.333 572 HA ASP 73 HA ASP 73 9.470 3.165 10.155 573 HB2 ASP 73 HB2 ASP 73 9.887 2.518 7.245 574 HB3 ASP 73 HB1 ASP 73 11.099 2.762 8.500 575 H ALA 74 HN ALA 74 7.367 3.997 7.526 576 HA ALA 74 HA ALA 74 8.576 6.632 7.180 577 HB1 ALA 74 HB1 ALA 74 6.173 5.527 5.745 578 HB2 ALA 74 HB2 ALA 74 7.828 5.218 5.233 579 HB3 ALA 74 HB3 ALA 74 7.210 6.867 5.257 580 H ARG 75 HN ARG 75 6.107 7.954 6.437 581 HA ARG 75 HA ARG 75 5.086 8.474 9.132 582 HE ARG 75 HE ARG 75 8.163 12.315 8.866 583 HB2 ARG 75 HB2 ARG 75 4.996 10.128 6.611 584 HB3 ARG 75 HB1 ARG 75 4.190 10.579 8.107 585 HG2 ARG 75 HG2 ARG 75 6.351 10.623 9.254 586 HG3 ARG 75 HG1 ARG 75 7.155 10.192 7.743 587 HD2 ARG 75 HD2 ARG 75 6.312 12.249 6.713 588 HD3 ARG 75 HD1 ARG 75 5.512 12.677 8.229 589 HH11 ARG 75 HH11 ARG 75 6.344 14.356 6.708 590 HH12 ARG 75 HH12 ARG 75 7.474 15.667 6.785 591 HH21 ARG 75 HH21 ARG 75 9.659 14.038 8.976 592 HH22 ARG 75 HH22 ARG 75 9.356 15.486 8.076 593 H ASP 76 HN ASP 76 3.427 9.126 6.077 594 HA ASP 76 HA ASP 76 1.544 7.036 6.243 595 HB2 ASP 76 HB2 ASP 76 -0.372 8.144 7.174 596 HB3 ASP 76 HB1 ASP 76 0.945 8.296 8.326 597 H LEU 77 HN LEU 77 -0.712 8.139 5.199 598 HA LEU 77 HA LEU 77 0.255 9.248 2.656 599 HG LEU 77 HG LEU 77 -3.229 8.850 3.497 600 HB2 LEU 77 HB2 LEU 77 -1.208 7.919 1.591 601 HB3 LEU 77 HB1 LEU 77 -1.200 7.022 3.091 602 HD11 LEU 77 HD11 LEU 77 -4.634 8.585 1.472 603 HD12 LEU 77 HD12 LEU 77 -3.229 7.919 0.635 604 HD13 LEU 77 HD13 LEU 77 -3.207 9.588 1.211 605 HD21 LEU 77 HD21 LEU 77 -3.861 6.825 4.197 606 HD22 LEU 77 HD22 LEU 77 -2.911 5.997 2.967 607 HD23 LEU 77 HD23 LEU 77 -4.510 6.630 2.570 608 H SER 78 HN SER 78 -0.475 11.152 1.872 609 HA SER 78 HA SER 78 -2.275 12.681 3.625 610 HG SER 78 HG SER 78 0.510 12.807 3.695 611 HB2 SER 78 HB2 SER 78 -0.234 13.648 1.605 612 HB3 SER 78 HB1 SER 78 -1.277 14.695 2.567 613 H ALA 79 HN ALA 79 -3.158 14.654 2.062 614 HA ALA 79 HA ALA 79 -5.344 13.671 0.733 615 HB1 ALA 79 HB1 ALA 79 -5.595 15.850 -0.256 616 HB2 ALA 79 HB2 ALA 79 -3.883 16.200 -0.003 617 HB3 ALA 79 HB3 ALA 79 -4.966 16.042 1.381 618 H LYS 80 HN LYS 80 -2.280 14.710 -0.722 619 HA LYS 80 HA LYS 80 -2.817 14.203 -3.366 620 HB2 LYS 80 HB2 LYS 80 -0.250 13.926 -1.814 621 HB3 LYS 80 HB1 LYS 80 -0.322 13.732 -3.561 622 HG2 LYS 80 HG2 LYS 80 -1.149 16.006 -3.798 623 HG3 LYS 80 HG1 LYS 80 -1.137 16.204 -2.045 624 HD2 LYS 80 HD2 LYS 80 1.300 15.581 -3.707 625 HD3 LYS 80 HD1 LYS 80 0.838 17.202 -3.182 626 HE2 LYS 80 HE2 LYS 80 1.027 16.533 -0.861 627 HE3 LYS 80 HE1 LYS 80 1.390 14.879 -1.345 628 HZ1 LYS 80 HZ1 LYS 80 3.066 17.250 -1.964 629 HZ2 LYS 80 HZ2 LYS 80 3.422 15.649 -2.376 630 HZ3 LYS 80 HZ3 LYS 80 3.388 16.116 -0.750 631 H GLU 81 HN GLU 81 -1.346 11.883 -1.058 632 HA GLU 81 HA GLU 81 -1.465 9.744 -2.919 633 HB2 GLU 81 HB2 GLU 81 -1.317 9.226 -0.009 634 HB3 GLU 81 HB1 GLU 81 -0.480 8.447 -1.324 635 HG2 GLU 81 HG2 GLU 81 0.137 11.107 -0.088 636 HG3 GLU 81 HG1 GLU 81 1.129 9.649 -0.078 637 H THR 82 HN THR 82 -3.711 11.037 -0.583 638 HA THR 82 HA THR 82 -5.318 8.730 -0.331 639 HB THR 82 HB THR 82 -6.194 11.633 -0.284 640 HG1 THR 82 HG1 THR 82 -5.337 11.647 1.645 641 HG21 THR 82 HG21 THR 82 -7.575 9.068 0.417 642 HG22 THR 82 HG22 THR 82 -8.169 10.420 -0.544 643 HG23 THR 82 HG23 THR 82 -8.024 10.576 1.207 644 H LYS 83 HN LYS 83 -5.475 11.511 -2.503 645 HA LYS 83 HA LYS 83 -7.462 10.328 -4.183 646 HB2 LYS 83 HB2 LYS 83 -5.719 12.769 -4.513 647 HB3 LYS 83 HB1 LYS 83 -6.923 12.271 -5.694 648 HG2 LYS 83 HG2 LYS 83 -8.437 12.289 -3.471 649 HG3 LYS 83 HG1 LYS 83 -7.265 13.542 -3.059 650 HD2 LYS 83 HD2 LYS 83 -9.106 14.612 -4.134 651 HD3 LYS 83 HD1 LYS 83 -7.763 14.602 -5.280 652 HE2 LYS 83 HE2 LYS 83 -8.747 12.548 -6.302 653 HE3 LYS 83 HE1 LYS 83 -10.142 12.751 -5.243 654 HZ1 LYS 83 HZ1 LYS 83 -9.216 14.737 -7.248 655 HZ2 LYS 83 HZ2 LYS 83 -10.581 14.884 -6.261 656 HZ3 LYS 83 HZ3 LYS 83 -10.524 13.683 -7.449 657 H THR 84 HN THR 84 -3.960 10.360 -4.098 658 HA THR 84 HA THR 84 -3.778 9.439 -6.839 659 HB THR 84 HB THR 84 -1.564 9.818 -4.837 660 HG1 THR 84 HG1 THR 84 -2.568 11.513 -6.899 661 HG21 THR 84 HG21 THR 84 -1.503 9.454 -7.834 662 HG22 THR 84 HG22 THR 84 -0.958 8.283 -6.635 663 HG23 THR 84 HG23 THR 84 -0.109 9.817 -6.817 664 H LEU 85 HN LEU 85 -2.683 8.175 -3.699 665 HA LEU 85 HA LEU 85 -2.014 5.640 -4.835 666 HG LEU 85 HG LEU 85 -2.540 4.251 -1.874 667 HB2 LEU 85 HB2 LEU 85 -0.696 6.347 -3.027 668 HB3 LEU 85 HB1 LEU 85 -2.097 6.675 -2.023 669 HD11 LEU 85 HD11 LEU 85 -0.794 2.680 -2.643 670 HD12 LEU 85 HD12 LEU 85 -0.004 4.017 -3.476 671 HD13 LEU 85 HD13 LEU 85 -1.619 3.506 -3.965 672 HD21 LEU 85 HD21 LEU 85 0.275 5.008 -1.105 673 HD22 LEU 85 HD22 LEU 85 -0.677 3.694 -0.415 674 HD23 LEU 85 HD23 LEU 85 -1.177 5.368 -0.170 675 H MET 86 HN MET 86 -4.635 6.659 -2.625 676 HA MET 86 HA MET 86 -5.735 4.013 -2.559 677 HB2 MET 86 HB2 MET 86 -7.299 6.476 -1.841 678 HB3 MET 86 HB1 MET 86 -7.396 4.862 -1.152 679 HG2 MET 86 HG2 MET 86 -5.159 6.836 -0.767 680 HG3 MET 86 HG1 MET 86 -6.357 6.338 0.427 681 HE1 MET 86 HE1 MET 86 -6.215 3.124 -0.931 682 HE2 MET 86 HE2 MET 86 -6.756 3.607 0.663 683 HE3 MET 86 HE3 MET 86 -5.449 2.436 0.497 684 H ALA 87 HN ALA 87 -6.853 7.044 -4.004 685 HA ALA 87 HA ALA 87 -9.096 5.913 -5.272 686 HB1 ALA 87 HB1 ALA 87 -7.829 8.356 -6.376 687 HB2 ALA 87 HB2 ALA 87 -8.441 8.389 -4.716 688 HB3 ALA 87 HB3 ALA 87 -9.523 7.998 -6.059 689 H ALA 88 HN ALA 88 -5.695 5.944 -6.262 690 HA ALA 88 HA ALA 88 -6.417 5.395 -9.025 691 HB1 ALA 88 HB1 ALA 88 -3.720 5.219 -7.683 692 HB2 ALA 88 HB2 ALA 88 -4.351 6.632 -8.529 693 HB3 ALA 88 HB3 ALA 88 -4.032 5.141 -9.415 694 H GLY 89 HN GLY 89 -5.256 3.699 -6.174 695 HA2 GLY 89 HA2 GLY 89 -4.957 1.159 -7.410 696 HA3 GLY 89 HA1 GLY 89 -5.095 1.473 -5.686 697 H ASP 90 HN ASP 90 -7.575 2.746 -5.700 698 HA ASP 90 HA ASP 90 -9.296 0.445 -6.077 699 HB2 ASP 90 HB2 ASP 90 -10.911 1.581 -4.666 700 HB3 ASP 90 HB1 ASP 90 -9.328 1.552 -3.896 701 H LYS 91 HN LYS 91 -8.462 1.607 -8.390 702 HA LYS 91 HA LYS 91 -9.598 3.547 -9.722 703 HB2 LYS 91 HB2 LYS 91 -9.527 2.148 -11.738 704 HB3 LYS 91 HB1 LYS 91 -8.103 1.976 -10.721 705 HG2 LYS 91 HG2 LYS 91 -8.518 -0.189 -11.284 706 HG3 LYS 91 HG1 LYS 91 -9.365 -0.060 -9.740 707 HD2 LYS 91 HD2 LYS 91 -11.402 0.530 -11.110 708 HD3 LYS 91 HD1 LYS 91 -10.508 -0.039 -12.513 709 HE2 LYS 91 HE2 LYS 91 -10.247 -2.225 -11.479 710 HE3 LYS 91 HE1 LYS 91 -11.089 -1.660 -10.035 711 HZ1 LYS 91 HZ1 LYS 91 -13.074 -1.321 -11.362 712 HZ2 LYS 91 HZ2 LYS 91 -12.552 -2.924 -11.483 713 HZ3 LYS 91 HZ3 LYS 91 -12.268 -1.848 -12.756 714 H ASP 92 HN ASP 92 -11.519 0.812 -8.604 715 HA ASP 92 HA ASP 92 -13.765 1.208 -10.202 716 HB2 ASP 92 HB2 ASP 92 -13.457 -0.669 -8.568 717 HB3 ASP 92 HB1 ASP 92 -13.793 0.466 -7.264 718 H GLY 93 HN GLY 93 -12.421 3.180 -7.714 719 HA2 GLY 93 HA2 GLY 93 -12.895 5.438 -7.401 720 HA3 GLY 93 HA1 GLY 93 -14.447 5.208 -8.203 721 H ASP 94 HN ASP 94 -13.902 2.833 -5.846 722 HA ASP 94 HA ASP 94 -15.962 3.889 -4.179 723 HB2 ASP 94 HB2 ASP 94 -14.098 1.537 -3.820 724 HB3 ASP 94 HB1 ASP 94 -15.387 1.940 -2.688 725 H GLY 95 HN GLY 95 -12.726 4.678 -4.421 726 HA2 GLY 95 HA2 GLY 95 -11.335 5.943 -3.135 727 HA3 GLY 95 HA1 GLY 95 -12.738 6.365 -2.168 728 H LYS 96 HN LYS 96 -11.833 3.059 -2.586 729 HA LYS 96 HA LYS 96 -10.415 3.006 -0.041 730 HB2 LYS 96 HB2 LYS 96 -12.817 1.222 -0.534 731 HB3 LYS 96 HB1 LYS 96 -11.863 1.326 0.935 732 HG2 LYS 96 HG2 LYS 96 -12.610 3.589 1.327 733 HG3 LYS 96 HG1 LYS 96 -13.479 3.595 -0.206 734 HD2 LYS 96 HD2 LYS 96 -14.874 1.721 0.661 735 HD3 LYS 96 HD1 LYS 96 -14.074 1.920 2.224 736 HE2 LYS 96 HE2 LYS 96 -16.112 3.135 2.331 737 HE3 LYS 96 HE1 LYS 96 -14.808 4.319 2.185 738 HZ1 LYS 96 HZ1 LYS 96 -15.294 4.503 -0.173 739 HZ2 LYS 96 HZ2 LYS 96 -16.666 4.865 0.745 740 HZ3 LYS 96 HZ3 LYS 96 -16.543 3.369 -0.034 741 H ILE 97 HN ILE 97 -8.927 1.432 0.094 742 HA ILE 97 HA ILE 97 -8.709 -0.345 -2.233 743 HB ILE 97 HB ILE 97 -6.600 0.742 -0.363 744 HG12 ILE 97 HG12 ILE 97 -6.957 0.818 -3.365 745 HG13 ILE 97 HG11 ILE 97 -7.160 2.170 -2.258 746 HG21 ILE 97 HG21 ILE 97 -4.975 -0.644 -1.673 747 HG22 ILE 97 HG22 ILE 97 -6.355 -1.533 -2.321 748 HG23 ILE 97 HG23 ILE 97 -6.024 -1.557 -0.588 749 HD11 ILE 97 HD11 ILE 97 -5.023 2.234 -3.476 750 HD12 ILE 97 HD12 ILE 97 -4.575 0.689 -2.738 751 HD13 ILE 97 HD13 ILE 97 -4.795 2.123 -1.731 752 H GLY 98 HN GLY 98 -9.489 -2.274 -1.841 753 HA2 GLY 98 HA2 GLY 98 -9.095 -3.413 0.841 754 HA3 GLY 98 HA1 GLY 98 -10.413 -3.854 -0.239 755 H VAL 99 HN VAL 99 -8.949 -5.890 0.765 756 HA VAL 99 HA VAL 99 -6.596 -6.670 -0.395 757 HB VAL 99 HB VAL 99 -7.802 -8.001 1.305 758 HG11 VAL 99 HG11 VAL 99 -9.588 -9.493 0.688 759 HG12 VAL 99 HG12 VAL 99 -9.484 -8.981 -0.997 760 HG13 VAL 99 HG13 VAL 99 -10.035 -7.847 0.237 761 HG21 VAL 99 HG21 VAL 99 -7.154 -10.198 0.462 762 HG22 VAL 99 HG22 VAL 99 -5.940 -8.984 0.056 763 HG23 VAL 99 HG23 VAL 99 -7.068 -9.551 -1.176 764 H GLU 100 HN GLU 100 -9.740 -6.524 -1.874 765 HA GLU 100 HA GLU 100 -9.124 -8.088 -4.159 766 HB2 GLU 100 HB2 GLU 100 -11.210 -7.195 -5.091 767 HB3 GLU 100 HB1 GLU 100 -11.413 -7.798 -3.453 768 HG2 GLU 100 HG2 GLU 100 -11.156 -5.477 -2.649 769 HG3 GLU 100 HG1 GLU 100 -11.218 -4.940 -4.323 770 H GLU 101 HN GLU 101 -9.397 -4.571 -3.685 771 HA GLU 101 HA GLU 101 -8.602 -3.970 -6.350 772 HB2 GLU 101 HB2 GLU 101 -9.656 -2.575 -4.099 773 HB3 GLU 101 HB1 GLU 101 -8.268 -1.690 -4.718 774 HG2 GLU 101 HG2 GLU 101 -10.472 -1.048 -5.707 775 HG3 GLU 101 HG1 GLU 101 -9.231 -1.504 -6.883 776 H PHE 102 HN PHE 102 -6.825 -4.540 -3.414 777 HA PHE 102 HA PHE 102 -4.502 -3.074 -3.836 778 HD1 PHE 102 HD2 PHE 102 -4.377 -2.658 -1.110 779 HD2 PHE 102 HD1 PHE 102 -1.871 -5.709 -2.613 780 HE1 PHE 102 HE2 PHE 102 -2.477 -1.664 0.095 781 HE2 PHE 102 HE1 PHE 102 0.055 -4.755 -1.395 782 HZ PHE 102 HZ PHE 102 -0.253 -2.716 -0.047 783 HB2 PHE 102 HB2 PHE 102 -5.240 -4.898 -1.994 784 HB3 PHE 102 HB1 PHE 102 -4.130 -5.875 -2.943 785 H SER 103 HN SER 103 -5.647 -5.967 -5.424 786 HA SER 103 HA SER 103 -3.224 -6.544 -6.810 787 HG SER 103 HG SER 103 -6.983 -7.813 -7.161 788 HB2 SER 103 HB2 SER 103 -4.588 -8.050 -8.166 789 HB3 SER 103 HB1 SER 103 -5.045 -8.218 -6.472 790 H THR 104 HN THR 104 -5.985 -4.499 -7.317 791 HA THR 104 HA THR 104 -5.564 -3.877 -10.044 792 HB THR 104 HB THR 104 -6.877 -1.996 -8.085 793 HG1 THR 104 HG1 THR 104 -8.792 -3.286 -8.427 794 HG21 THR 104 HG21 THR 104 -8.463 -1.847 -10.116 795 HG22 THR 104 HG22 THR 104 -7.157 -2.635 -11.006 796 HG23 THR 104 HG23 THR 104 -6.878 -1.075 -10.234 797 H LEU 105 HN LEU 105 -4.680 -2.193 -7.030 798 HA LEU 105 HA LEU 105 -3.429 0.004 -8.244 799 HG LEU 105 HG LEU 105 -3.595 -2.246 -5.385 800 HB2 LEU 105 HB2 LEU 105 -1.997 -0.252 -5.953 801 HB3 LEU 105 HB1 LEU 105 -3.463 0.633 -6.123 802 HD11 LEU 105 HD11 LEU 105 -3.629 -1.333 -2.972 803 HD12 LEU 105 HD12 LEU 105 -2.711 0.016 -3.646 804 HD13 LEU 105 HD13 LEU 105 -2.077 -1.625 -3.755 805 HD21 LEU 105 HD21 LEU 105 -5.666 -1.667 -4.467 806 HD22 LEU 105 HD22 LEU 105 -5.571 -0.754 -5.972 807 HD23 LEU 105 HD23 LEU 105 -5.267 0.044 -4.435 808 H VAL 106 HN VAL 106 -2.184 -3.178 -7.354 809 HA VAL 106 HA VAL 106 0.524 -2.735 -7.775 810 HB VAL 106 HB VAL 106 -1.076 -5.223 -8.419 811 HG11 VAL 106 HG11 VAL 106 1.041 -5.265 -9.614 812 HG12 VAL 106 HG12 VAL 106 1.065 -6.422 -8.283 813 HG13 VAL 106 HG13 VAL 106 1.908 -4.881 -8.128 814 HG21 VAL 106 HG21 VAL 106 -0.725 -5.929 -6.260 815 HG22 VAL 106 HG22 VAL 106 -0.900 -4.191 -6.015 816 HG23 VAL 106 HG23 VAL 106 0.705 -4.917 -6.048 817 H ALA 107 HN ALA 107 -2.090 -3.045 -10.057 818 HA ALA 107 HA ALA 107 -0.385 -3.295 -12.368 819 HB1 ALA 107 HB1 ALA 107 -3.328 -2.652 -12.194 820 HB2 ALA 107 HB2 ALA 107 -2.638 -4.266 -12.354 821 HB3 ALA 107 HB3 ALA 107 -2.447 -3.093 -13.657 822 H GLU 108 HN GLU 108 -2.119 -0.747 -10.687 823 HA GLU 108 HA GLU 108 -1.895 1.313 -12.555 824 HB2 GLU 108 HB2 GLU 108 -2.059 1.257 -9.561 825 HB3 GLU 108 HB1 GLU 108 -1.841 2.782 -10.409 826 HG2 GLU 108 HG2 GLU 108 -4.176 2.444 -9.940 827 HG3 GLU 108 HG1 GLU 108 -3.898 2.366 -11.677 828 H SER 109 HN SER 109 0.065 1.060 -9.609 829 HA SER 109 HA SER 109 2.009 2.872 -10.237 830 HG SER 109 HG SER 109 4.194 2.250 -8.785 831 HB2 SER 109 HB2 SER 109 2.103 2.031 -8.062 832 HB3 SER 109 HB1 SER 109 2.110 0.354 -8.603 Start of MODEL 20 1 HA SER 1 HA SER 1 3.178 -10.956 8.360 2 HG SER 1 HG SER 1 6.241 -10.508 8.349 3 H1 SER 1 HT1 SER 1 2.249 -11.599 6.171 4 H2 SER 1 HT2 SER 1 2.541 -12.895 7.218 5 H3 SER 1 HT3 SER 1 3.599 -12.594 5.934 6 HB2 SER 1 HB2 SER 1 4.687 -12.860 8.646 7 HB3 SER 1 HB1 SER 1 5.618 -12.354 7.235 8 H MET 2 HN MET 2 4.130 -10.970 5.032 9 HA MET 2 HA MET 2 4.373 -9.190 3.607 10 HB2 MET 2 HB2 MET 2 3.154 -7.803 5.347 11 HB3 MET 2 HB1 MET 2 4.733 -7.352 5.967 12 HG2 MET 2 HG2 MET 2 5.183 -6.677 3.484 13 HG3 MET 2 HG1 MET 2 3.423 -6.605 3.403 14 HE1 MET 2 HE1 MET 2 6.658 -5.230 5.051 15 HE2 MET 2 HE2 MET 2 5.778 -5.770 6.481 16 HE3 MET 2 HE3 MET 2 6.042 -4.050 6.206 17 H THR 3 HN THR 3 6.516 -9.293 6.442 18 HA THR 3 HA THR 3 8.731 -8.063 5.186 19 HB THR 3 HB THR 3 8.700 -10.016 7.499 20 HG1 THR 3 HG1 THR 3 8.970 -7.943 8.664 21 HG21 THR 3 HG21 THR 3 10.845 -8.085 6.606 22 HG22 THR 3 HG22 THR 3 10.914 -9.841 6.460 23 HG23 THR 3 HG23 THR 3 10.896 -9.089 8.054 24 H ASP 4 HN ASP 4 7.564 -11.354 5.365 25 HA ASP 4 HA ASP 4 9.911 -12.388 3.980 26 HB2 ASP 4 HB2 ASP 4 7.403 -13.779 4.949 27 HB3 ASP 4 HB1 ASP 4 8.787 -14.588 4.220 28 H LEU 5 HN LEU 5 6.667 -11.388 3.333 29 HA LEU 5 HA LEU 5 6.529 -12.657 0.738 30 HG LEU 5 HG LEU 5 4.519 -12.472 3.403 31 HB2 LEU 5 HB2 LEU 5 4.723 -10.590 1.975 32 HB3 LEU 5 HB1 LEU 5 4.375 -11.539 0.546 33 HD11 LEU 5 HD11 LEU 5 2.262 -13.201 3.001 34 HD12 LEU 5 HD12 LEU 5 2.376 -12.725 1.306 35 HD13 LEU 5 HD13 LEU 5 2.410 -11.496 2.573 36 HD21 LEU 5 HD21 LEU 5 4.334 -14.728 2.663 37 HD22 LEU 5 HD22 LEU 5 5.737 -14.009 1.868 38 HD23 LEU 5 HD23 LEU 5 4.233 -14.225 0.973 39 H LEU 6 HN LEU 6 6.248 -9.248 1.769 40 HA LEU 6 HA LEU 6 6.979 -8.293 -0.833 41 HG LEU 6 HG LEU 6 4.548 -7.658 1.170 42 HB2 LEU 6 HB2 LEU 6 6.728 -6.822 1.795 43 HB3 LEU 6 HB1 LEU 6 6.927 -6.062 0.225 44 HD11 LEU 6 HD11 LEU 6 4.738 -5.336 2.005 45 HD12 LEU 6 HD12 LEU 6 3.352 -5.577 0.944 46 HD13 LEU 6 HD13 LEU 6 4.797 -4.769 0.337 47 HD21 LEU 6 HD21 LEU 6 4.911 -8.182 -1.141 48 HD22 LEU 6 HD22 LEU 6 5.180 -6.484 -1.534 49 HD23 LEU 6 HD23 LEU 6 3.578 -7.032 -1.036 50 H SER 7 HN SER 7 8.884 -7.285 -1.466 51 HA SER 7 HA SER 7 11.281 -8.321 -0.617 52 HG SER 7 HG SER 7 9.612 -5.926 -2.643 53 HB2 SER 7 HB2 SER 7 12.246 -6.131 -1.656 54 HB3 SER 7 HB1 SER 7 11.359 -7.254 -2.685 55 H ALA 8 HN ALA 8 12.110 -8.242 1.382 56 HA ALA 8 HA ALA 8 11.437 -6.304 3.319 57 HB1 ALA 8 HB1 ALA 8 12.128 -8.584 3.880 58 HB2 ALA 8 HB2 ALA 8 13.097 -7.374 4.724 59 HB3 ALA 8 HB3 ALA 8 13.762 -8.219 3.326 60 H GLU 9 HN GLU 9 14.346 -6.700 1.323 61 HA GLU 9 HA GLU 9 15.803 -4.585 2.490 62 HB2 GLU 9 HB2 GLU 9 17.024 -6.159 1.213 63 HB3 GLU 9 HB1 GLU 9 15.963 -5.979 -0.176 64 HG2 GLU 9 HG2 GLU 9 16.819 -3.728 -0.548 65 HG3 GLU 9 HG1 GLU 9 17.883 -3.899 0.850 66 H ASP 10 HN ASP 10 13.742 -4.745 -0.366 67 HA ASP 10 HA ASP 10 14.024 -2.177 -1.369 68 HB2 ASP 10 HB2 ASP 10 11.715 -4.090 -1.291 69 HB3 ASP 10 HB1 ASP 10 11.656 -2.592 -2.209 70 H ILE 11 HN ILE 11 11.515 -3.387 0.810 71 HA ILE 11 HA ILE 11 10.128 -1.007 1.225 72 HB ILE 11 HB ILE 11 10.499 -3.298 3.143 73 HG12 ILE 11 HG12 ILE 11 8.101 -3.014 1.399 74 HG13 ILE 11 HG11 ILE 11 9.582 -3.646 0.685 75 HG21 ILE 11 HG21 ILE 11 8.254 -2.576 3.975 76 HG22 ILE 11 HG22 ILE 11 8.395 -1.145 2.949 77 HG23 ILE 11 HG23 ILE 11 9.539 -1.404 4.270 78 HD11 ILE 11 HD11 ILE 11 8.404 -5.530 1.355 79 HD12 ILE 11 HD12 ILE 11 7.908 -4.797 2.880 80 HD13 ILE 11 HD13 ILE 11 9.584 -5.291 2.641 81 H LYS 12 HN LYS 12 12.640 -2.466 3.312 82 HA LYS 12 HA LYS 12 12.706 -0.476 5.235 83 HB2 LYS 12 HB2 LYS 12 13.919 -2.671 5.321 84 HB3 LYS 12 HB1 LYS 12 15.114 -1.993 4.224 85 HG2 LYS 12 HG2 LYS 12 14.522 -0.493 6.713 86 HG3 LYS 12 HG1 LYS 12 15.447 -1.990 6.842 87 HD2 LYS 12 HD2 LYS 12 16.190 0.136 4.863 88 HD3 LYS 12 HD1 LYS 12 16.743 0.204 6.539 89 HE2 LYS 12 HE2 LYS 12 17.145 -2.172 4.735 90 HE3 LYS 12 HE1 LYS 12 18.341 -0.891 4.943 91 HZ1 LYS 12 HZ1 LYS 12 18.819 -2.759 6.382 92 HZ2 LYS 12 HZ2 LYS 12 17.283 -2.663 7.083 93 HZ3 LYS 12 HZ3 LYS 12 18.399 -1.412 7.316 94 H LYS 13 HN LYS 13 14.661 -0.713 2.270 95 HA LYS 13 HA LYS 13 16.031 1.731 2.630 96 HB2 LYS 13 HB2 LYS 13 15.414 0.351 0.016 97 HB3 LYS 13 HB1 LYS 13 16.711 1.495 0.326 98 HG2 LYS 13 HG2 LYS 13 17.992 -0.039 1.436 99 HG3 LYS 13 HG1 LYS 13 16.602 -1.017 1.914 100 HD2 LYS 13 HD2 LYS 13 18.029 -2.086 0.182 101 HD3 LYS 13 HD1 LYS 13 16.354 -1.857 -0.324 102 HE2 LYS 13 HE2 LYS 13 18.520 0.117 -0.991 103 HE3 LYS 13 HE1 LYS 13 18.178 -1.281 -2.009 104 HZ1 LYS 13 HZ1 LYS 13 15.745 -0.314 -1.786 105 HZ2 LYS 13 HZ2 LYS 13 16.814 0.213 -2.984 106 HZ3 LYS 13 HZ3 LYS 13 16.600 1.133 -1.581 107 H ALA 14 HN ALA 14 13.255 0.891 0.569 108 HA ALA 14 HA ALA 14 12.842 3.464 -0.483 109 HB1 ALA 14 HB1 ALA 14 10.719 1.370 -0.094 110 HB2 ALA 14 HB2 ALA 14 11.938 1.289 -1.362 111 HB3 ALA 14 HB3 ALA 14 10.788 2.629 -1.328 112 H ILE 15 HN ILE 15 11.458 1.834 2.315 113 HA ILE 15 HA ILE 15 9.515 3.654 3.037 114 HB ILE 15 HB ILE 15 11.176 1.690 4.562 115 HG12 ILE 15 HG12 ILE 15 9.229 1.107 3.040 116 HG13 ILE 15 HG11 ILE 15 9.176 0.459 4.674 117 HG21 ILE 15 HG21 ILE 15 9.305 2.265 6.408 118 HG22 ILE 15 HG22 ILE 15 9.631 3.874 5.766 119 HG23 ILE 15 HG23 ILE 15 10.945 2.910 6.427 120 HD11 ILE 15 HD11 ILE 15 7.684 2.347 5.305 121 HD12 ILE 15 HD12 ILE 15 6.977 1.223 4.143 122 HD13 ILE 15 HD13 ILE 15 7.607 2.782 3.598 123 H GLY 16 HN GLY 16 12.910 3.540 4.127 124 HA2 GLY 16 HA2 GLY 16 12.578 6.170 5.372 125 HA3 GLY 16 HA1 GLY 16 13.941 5.092 5.589 126 H ALA 17 HN ALA 17 13.502 5.147 2.328 127 HA ALA 17 HA ALA 17 15.729 6.963 2.012 128 HB1 ALA 17 HB1 ALA 17 15.623 6.290 -0.383 129 HB2 ALA 17 HB2 ALA 17 14.249 5.261 0.022 130 HB3 ALA 17 HB3 ALA 17 15.827 4.951 0.746 131 H PHE 18 HN PHE 18 12.266 7.080 1.380 132 HA PHE 18 HA PHE 18 12.692 9.713 0.123 133 HD1 PHE 18 HD2 PHE 18 13.526 7.689 -1.380 134 HD2 PHE 18 HD1 PHE 18 9.438 6.518 -1.311 135 HE1 PHE 18 HE2 PHE 18 14.129 5.536 -2.407 136 HE2 PHE 18 HE1 PHE 18 10.026 4.368 -2.334 137 HZ PHE 18 HZ PHE 18 12.382 3.872 -2.882 138 HB2 PHE 18 HB2 PHE 18 10.067 8.446 -0.254 139 HB3 PHE 18 HB1 PHE 18 11.074 9.311 -1.408 140 H THR 19 HN THR 19 12.114 11.385 1.306 141 HA THR 19 HA THR 19 10.259 11.038 3.526 142 HB THR 19 HB THR 19 12.330 12.296 3.949 143 HG1 THR 19 HG1 THR 19 10.136 12.871 4.884 144 HG21 THR 19 HG21 THR 19 11.230 14.264 1.936 145 HG22 THR 19 HG22 THR 19 12.657 13.250 1.723 146 HG23 THR 19 HG23 THR 19 12.652 14.516 2.951 147 H ALA 20 HN ALA 20 10.524 12.622 0.440 148 HA ALA 20 HA ALA 20 7.928 13.913 0.701 149 HB1 ALA 20 HB1 ALA 20 10.009 14.172 -1.464 150 HB2 ALA 20 HB2 ALA 20 9.797 15.272 -0.101 151 HB3 ALA 20 HB3 ALA 20 8.532 15.125 -1.321 152 H ALA 21 HN ALA 21 9.672 11.662 -1.448 153 HA ALA 21 HA ALA 21 7.867 11.207 -3.424 154 HB1 ALA 21 HB1 ALA 21 10.148 10.092 -2.966 155 HB2 ALA 21 HB2 ALA 21 8.920 9.190 -3.852 156 HB3 ALA 21 HB3 ALA 21 9.193 8.856 -2.144 157 H ASP 22 HN ASP 22 7.984 9.074 -0.592 158 HA ASP 22 HA ASP 22 5.442 7.948 -1.018 159 HB2 ASP 22 HB2 ASP 22 7.007 6.798 0.401 160 HB3 ASP 22 HB1 ASP 22 7.134 8.181 1.480 161 H SER 23 HN SER 23 6.420 10.973 0.228 162 HA SER 23 HA SER 23 4.209 11.541 1.891 163 HG SER 23 HG SER 23 5.262 12.910 3.286 164 HB2 SER 23 HB2 SER 23 6.665 12.665 1.412 165 HB3 SER 23 HB1 SER 23 5.581 13.800 0.611 166 H PHE 24 HN PHE 24 5.080 12.702 -1.377 167 HA PHE 24 HA PHE 24 2.344 13.659 -1.733 168 HD1 PHE 24 HD1 PHE 24 4.199 13.265 -5.393 169 HD2 PHE 24 HD2 PHE 24 6.433 14.732 -2.082 170 HE1 PHE 24 HE1 PHE 24 6.289 12.625 -6.525 171 HE2 PHE 24 HE2 PHE 24 8.527 14.098 -3.208 172 HZ PHE 24 HZ PHE 24 8.457 13.043 -5.433 173 HB2 PHE 24 HB2 PHE 24 3.220 14.811 -3.720 174 HB3 PHE 24 HB1 PHE 24 4.126 15.219 -2.268 175 H ASP 25 HN ASP 25 4.308 10.990 -2.708 176 HA ASP 25 HA ASP 25 2.102 9.879 -4.155 177 HB2 ASP 25 HB2 ASP 25 3.161 11.459 -5.817 178 HB3 ASP 25 HB1 ASP 25 4.584 10.424 -5.780 179 H HIS 26 HN HIS 26 2.248 8.095 -2.892 180 HA HIS 26 HA HIS 26 4.681 6.687 -2.413 181 HD1 HIS 26 HD1 HIS 26 4.621 3.931 -2.499 182 HD2 HIS 26 HD2 HIS 26 1.206 3.955 -0.145 183 HE1 HIS 26 HE1 HIS 26 4.324 1.562 -1.728 184 HE2 HIS 26 HE2 HIS 26 2.290 1.614 -0.247 185 HB2 HIS 26 HB2 HIS 26 3.099 6.425 -0.746 186 HB3 HIS 26 HB1 HIS 26 1.771 6.190 -1.863 187 H LYS 27 HN LYS 27 2.429 6.699 -5.061 188 HA LYS 27 HA LYS 27 2.507 4.188 -6.091 189 HB2 LYS 27 HB2 LYS 27 2.674 6.864 -7.427 190 HB3 LYS 27 HB1 LYS 27 2.695 5.396 -8.363 191 HG2 LYS 27 HG2 LYS 27 0.539 5.542 -6.400 192 HG3 LYS 27 HG1 LYS 27 0.462 6.751 -7.687 193 HD2 LYS 27 HD2 LYS 27 0.963 3.861 -8.255 194 HD3 LYS 27 HD1 LYS 27 -0.678 4.490 -8.099 195 HE2 LYS 27 HE2 LYS 27 1.425 5.410 -10.060 196 HE3 LYS 27 HE1 LYS 27 0.015 4.422 -10.436 197 HZ1 LYS 27 HZ1 LYS 27 -0.442 6.672 -11.029 198 HZ2 LYS 27 HZ2 LYS 27 0.014 7.239 -9.503 199 HZ3 LYS 27 HZ3 LYS 27 -1.380 6.295 -9.672 200 H LYS 28 HN LYS 28 5.016 6.689 -6.534 201 HA LYS 28 HA LYS 28 6.797 5.060 -7.971 202 HB2 LYS 28 HB2 LYS 28 7.154 7.480 -6.221 203 HB3 LYS 28 HB1 LYS 28 8.560 6.629 -6.840 204 HG2 LYS 28 HG2 LYS 28 8.039 8.518 -8.245 205 HG3 LYS 28 HG1 LYS 28 7.783 7.015 -9.131 206 HD2 LYS 28 HD2 LYS 28 5.457 8.175 -7.701 207 HD3 LYS 28 HD1 LYS 28 6.019 9.011 -9.149 208 HE2 LYS 28 HE2 LYS 28 5.851 6.888 -10.398 209 HE3 LYS 28 HE1 LYS 28 5.202 6.113 -8.956 210 HZ1 LYS 28 HZ1 LYS 28 3.409 6.741 -10.385 211 HZ2 LYS 28 HZ2 LYS 28 3.962 8.337 -10.482 212 HZ3 LYS 28 HZ3 LYS 28 3.365 7.736 -9.017 213 H PHE 29 HN PHE 29 6.579 5.836 -4.524 214 HA PHE 29 HA PHE 29 8.574 4.181 -3.561 215 HD1 PHE 29 HD2 PHE 29 8.877 3.027 -1.532 216 HD2 PHE 29 HD1 PHE 29 5.152 4.667 -0.310 217 HE1 PHE 29 HE2 PHE 29 8.867 1.538 0.425 218 HE2 PHE 29 HE1 PHE 29 5.135 3.182 1.655 219 HZ PHE 29 HZ PHE 29 6.995 1.611 2.020 220 HB2 PHE 29 HB2 PHE 29 7.650 5.693 -2.021 221 HB3 PHE 29 HB1 PHE 29 5.997 5.221 -2.383 222 H PHE 30 HN PHE 30 5.375 3.446 -4.703 223 HA PHE 30 HA PHE 30 5.080 0.846 -3.696 224 HD1 PHE 30 HD1 PHE 30 2.966 -1.002 -5.664 225 HD2 PHE 30 HD2 PHE 30 2.258 2.559 -3.454 226 HE1 PHE 30 HE1 PHE 30 1.073 -2.085 -4.526 227 HE2 PHE 30 HE2 PHE 30 0.374 1.479 -2.302 228 HZ PHE 30 HZ PHE 30 -0.222 -0.849 -2.839 229 HB2 PHE 30 HB2 PHE 30 3.662 2.569 -5.406 230 HB3 PHE 30 HB1 PHE 30 3.954 1.106 -6.339 231 H GLN 31 HN GLN 31 6.955 2.153 -6.298 232 HA GLN 31 HA GLN 31 7.443 -0.404 -7.512 233 HB2 GLN 31 HB2 GLN 31 8.832 2.181 -8.110 234 HB3 GLN 31 HB1 GLN 31 8.758 0.760 -9.135 235 HG2 GLN 31 HG2 GLN 31 6.301 1.100 -9.295 236 HG3 GLN 31 HG1 GLN 31 6.510 2.613 -8.412 237 HE21 GLN 31 HE21 GLN 31 5.747 3.846 -10.115 238 HE22 GLN 31 HE22 GLN 31 6.665 4.106 -11.556 239 H MET 32 HN MET 32 9.207 1.919 -5.572 240 HA MET 32 HA MET 32 11.702 0.563 -5.619 241 HB2 MET 32 HB2 MET 32 10.922 2.321 -3.346 242 HB3 MET 32 HB1 MET 32 12.463 2.191 -4.181 243 HG2 MET 32 HG2 MET 32 9.981 3.614 -5.033 244 HG3 MET 32 HG1 MET 32 11.606 4.256 -4.790 245 HE1 MET 32 HE1 MET 32 9.593 4.717 -7.004 246 HE2 MET 32 HE2 MET 32 10.028 4.120 -8.604 247 HE3 MET 32 HE3 MET 32 11.020 5.351 -7.823 248 H VAL 33 HN VAL 33 8.911 0.514 -3.555 249 HA VAL 33 HA VAL 33 9.980 -0.948 -1.402 250 HB VAL 33 HB VAL 33 7.907 0.390 -1.311 251 HG11 VAL 33 HG11 VAL 33 6.487 -1.874 -2.652 252 HG12 VAL 33 HG12 VAL 33 7.169 -0.546 -3.588 253 HG13 VAL 33 HG13 VAL 33 5.936 -0.222 -2.366 254 HG21 VAL 33 HG21 VAL 33 7.344 -2.476 -0.621 255 HG22 VAL 33 HG22 VAL 33 6.689 -1.018 0.121 256 HG23 VAL 33 HG23 VAL 33 8.388 -1.419 0.331 257 H GLY 34 HN GLY 34 8.955 -1.875 -4.530 258 HA2 GLY 34 HA2 GLY 34 9.199 -3.922 -5.580 259 HA3 GLY 34 HA1 GLY 34 9.741 -4.600 -4.054 260 H LEU 35 HN LEU 35 6.705 -2.885 -4.460 261 HA LEU 35 HA LEU 35 5.242 -5.051 -3.325 262 HG LEU 35 HG LEU 35 5.041 -3.063 -1.897 263 HB2 LEU 35 HB2 LEU 35 4.550 -2.367 -4.425 264 HB3 LEU 35 HB1 LEU 35 3.269 -3.543 -4.237 265 HD11 LEU 35 HD11 LEU 35 4.046 -0.872 -3.177 266 HD12 LEU 35 HD12 LEU 35 4.364 -0.970 -1.446 267 HD13 LEU 35 HD13 LEU 35 2.737 -1.261 -2.062 268 HD21 LEU 35 HD21 LEU 35 3.323 -4.735 -1.752 269 HD22 LEU 35 HD22 LEU 35 2.117 -3.586 -2.331 270 HD23 LEU 35 HD23 LEU 35 2.861 -3.357 -0.748 271 H LYS 36 HN LYS 36 6.025 -4.014 -6.547 272 HA LYS 36 HA LYS 36 4.113 -5.847 -7.732 273 HB2 LYS 36 HB2 LYS 36 6.126 -4.243 -9.226 274 HB3 LYS 36 HB1 LYS 36 4.538 -4.755 -9.754 275 HG2 LYS 36 HG2 LYS 36 3.497 -2.988 -8.761 276 HG3 LYS 36 HG1 LYS 36 4.692 -2.848 -7.475 277 HD2 LYS 36 HD2 LYS 36 4.953 -1.951 -10.335 278 HD3 LYS 36 HD1 LYS 36 4.919 -0.920 -8.896 279 HE2 LYS 36 HE2 LYS 36 7.113 -2.604 -10.014 280 HE3 LYS 36 HE1 LYS 36 7.167 -0.981 -9.333 281 HZ1 LYS 36 HZ1 LYS 36 7.272 -3.572 -7.957 282 HZ2 LYS 36 HZ2 LYS 36 6.576 -2.263 -7.150 283 HZ3 LYS 36 HZ3 LYS 36 8.177 -2.172 -7.688 284 H LYS 37 HN LYS 37 7.203 -5.998 -6.455 285 HA LYS 37 HA LYS 37 8.861 -7.253 -8.177 286 HB2 LYS 37 HB2 LYS 37 9.417 -6.719 -5.844 287 HB3 LYS 37 HB1 LYS 37 8.415 -8.052 -5.290 288 HG2 LYS 37 HG2 LYS 37 9.871 -9.630 -6.477 289 HG3 LYS 37 HG1 LYS 37 10.893 -8.285 -6.990 290 HD2 LYS 37 HD2 LYS 37 11.335 -7.752 -4.624 291 HD3 LYS 37 HD1 LYS 37 10.359 -9.142 -4.145 292 HE2 LYS 37 HE2 LYS 37 12.860 -9.247 -5.829 293 HE3 LYS 37 HE1 LYS 37 12.765 -9.640 -4.112 294 HZ1 LYS 37 HZ1 LYS 37 11.216 -11.427 -4.662 295 HZ2 LYS 37 HZ2 LYS 37 12.700 -11.636 -5.444 296 HZ3 LYS 37 HZ3 LYS 37 11.363 -11.065 -6.308 297 H LYS 38 HN LYS 38 7.060 -9.305 -5.890 298 HA LYS 38 HA LYS 38 7.259 -11.526 -7.683 299 HB2 LYS 38 HB2 LYS 38 5.753 -11.230 -5.079 300 HB3 LYS 38 HB1 LYS 38 5.959 -12.742 -5.951 301 HG2 LYS 38 HG2 LYS 38 8.280 -12.771 -5.524 302 HG3 LYS 38 HG1 LYS 38 8.271 -11.094 -4.974 303 HD2 LYS 38 HD2 LYS 38 6.649 -11.894 -3.167 304 HD3 LYS 38 HD1 LYS 38 7.165 -13.526 -3.603 305 HE2 LYS 38 HE2 LYS 38 8.984 -11.289 -2.711 306 HE3 LYS 38 HE1 LYS 38 8.434 -12.627 -1.700 307 HZ1 LYS 38 HZ1 LYS 38 10.656 -13.009 -2.591 308 HZ2 LYS 38 HZ2 LYS 38 10.060 -12.904 -4.170 309 HZ3 LYS 38 HZ3 LYS 38 9.563 -14.167 -3.163 310 H SER 39 HN SER 39 4.168 -11.070 -6.088 311 HA SER 39 HA SER 39 2.882 -10.319 -8.586 312 HG SER 39 HG SER 39 1.949 -13.986 -7.087 313 HB2 SER 39 HB2 SER 39 1.296 -12.203 -8.478 314 HB3 SER 39 HB1 SER 39 2.952 -12.772 -8.688 315 H ALA 40 HN ALA 40 0.478 -10.007 -8.232 316 HA ALA 40 HA ALA 40 0.050 -8.218 -6.103 317 HB1 ALA 40 HB1 ALA 40 -2.422 -8.621 -6.813 318 HB2 ALA 40 HB2 ALA 40 -1.701 -9.559 -8.121 319 HB3 ALA 40 HB3 ALA 40 -1.305 -7.850 -7.939 320 H ASP 41 HN ASP 41 -0.204 -11.666 -6.283 321 HA ASP 41 HA ASP 41 -2.053 -12.018 -4.143 322 HB2 ASP 41 HB2 ASP 41 0.025 -13.924 -5.251 323 HB3 ASP 41 HB1 ASP 41 -1.271 -14.366 -4.143 324 H ASP 42 HN ASP 42 1.495 -12.279 -4.356 325 HA ASP 42 HA ASP 42 2.071 -12.839 -1.713 326 HB2 ASP 42 HB2 ASP 42 3.781 -12.834 -3.460 327 HB3 ASP 42 HB1 ASP 42 3.628 -11.088 -3.630 328 H VAL 43 HN VAL 43 1.620 -9.678 -3.253 329 HA VAL 43 HA VAL 43 2.021 -8.173 -0.869 330 HB VAL 43 HB VAL 43 1.188 -6.270 -2.134 331 HG11 VAL 43 HG11 VAL 43 3.365 -7.875 -2.835 332 HG12 VAL 43 HG12 VAL 43 3.138 -6.167 -3.210 333 HG13 VAL 43 HG13 VAL 43 2.617 -7.402 -4.359 334 HG21 VAL 43 HG21 VAL 43 0.384 -8.296 -4.209 335 HG22 VAL 43 HG22 VAL 43 0.319 -6.554 -4.423 336 HG23 VAL 43 HG23 VAL 43 -0.712 -7.331 -3.226 337 H LYS 44 HN LYS 44 -0.806 -9.399 -2.580 338 HA LYS 44 HA LYS 44 -2.827 -8.135 -1.181 339 HB2 LYS 44 HB2 LYS 44 -3.227 -9.417 -3.192 340 HB3 LYS 44 HB1 LYS 44 -2.739 -10.896 -2.379 341 HG2 LYS 44 HG2 LYS 44 -4.729 -9.989 -0.760 342 HG3 LYS 44 HG1 LYS 44 -5.288 -9.466 -2.346 343 HD2 LYS 44 HD2 LYS 44 -6.188 -11.620 -2.028 344 HD3 LYS 44 HD1 LYS 44 -4.823 -11.822 -3.122 345 HE2 LYS 44 HE2 LYS 44 -3.422 -12.434 -1.155 346 HE3 LYS 44 HE1 LYS 44 -4.885 -12.395 -0.170 347 HZ1 LYS 44 HZ1 LYS 44 -4.419 -14.170 -2.506 348 HZ2 LYS 44 HZ2 LYS 44 -5.823 -14.133 -1.563 349 HZ3 LYS 44 HZ3 LYS 44 -4.361 -14.641 -0.881 350 H LYS 45 HN LYS 45 -0.719 -10.701 -0.215 351 HA LYS 45 HA LYS 45 -2.265 -11.896 1.794 352 HB2 LYS 45 HB2 LYS 45 0.571 -11.833 1.038 353 HB3 LYS 45 HB1 LYS 45 0.291 -12.109 2.751 354 HG2 LYS 45 HG2 LYS 45 0.478 -14.212 1.588 355 HG3 LYS 45 HG1 LYS 45 -1.167 -14.005 2.190 356 HD2 LYS 45 HD2 LYS 45 -1.875 -13.267 -0.046 357 HD3 LYS 45 HD1 LYS 45 -0.231 -13.514 -0.639 358 HE2 LYS 45 HE2 LYS 45 -1.661 -15.407 -1.212 359 HE3 LYS 45 HE1 LYS 45 -0.388 -15.891 -0.091 360 HZ1 LYS 45 HZ1 LYS 45 -1.992 -15.747 1.719 361 HZ2 LYS 45 HZ2 LYS 45 -2.504 -16.846 0.540 362 HZ3 LYS 45 HZ3 LYS 45 -3.212 -15.313 0.630 363 H VAL 46 HN VAL 46 0.032 -9.178 1.916 364 HA VAL 46 HA VAL 46 -0.051 -8.684 4.644 365 HB VAL 46 HB VAL 46 1.370 -7.486 2.845 366 HG11 VAL 46 HG11 VAL 46 0.585 -5.615 1.765 367 HG12 VAL 46 HG12 VAL 46 -0.693 -5.344 2.949 368 HG13 VAL 46 HG13 VAL 46 -0.862 -6.627 1.756 369 HG21 VAL 46 HG21 VAL 46 1.781 -5.642 4.309 370 HG22 VAL 46 HG22 VAL 46 1.378 -7.048 5.296 371 HG23 VAL 46 HG23 VAL 46 0.177 -5.786 5.026 372 H PHE 47 HN PHE 47 -2.429 -8.143 2.197 373 HA PHE 47 HA PHE 47 -4.032 -6.187 3.161 374 HD1 PHE 47 HD1 PHE 47 -5.691 -5.152 2.099 375 HD2 PHE 47 HD2 PHE 47 -7.265 -9.099 2.010 376 HE1 PHE 47 HE1 PHE 47 -7.975 -4.237 2.137 377 HE2 PHE 47 HE2 PHE 47 -9.553 -8.195 2.048 378 HZ PHE 47 HZ PHE 47 -9.911 -5.759 2.111 379 HB2 PHE 47 HB2 PHE 47 -4.472 -7.459 1.094 380 HB3 PHE 47 HB1 PHE 47 -5.008 -8.811 2.090 381 H HIS 48 HN HIS 48 -4.169 -9.608 4.103 382 HA HIS 48 HA HIS 48 -6.234 -9.196 6.022 383 HD1 HIS 48 HD1 HIS 48 -4.315 -13.114 7.539 384 HD2 HIS 48 HD2 HIS 48 -7.811 -10.874 7.419 385 HE1 HIS 48 HE1 HIS 48 -5.690 -13.913 9.484 386 HE2 HIS 48 HE2 HIS 48 -7.834 -12.595 9.348 387 HB2 HIS 48 HB2 HIS 48 -5.907 -11.389 4.992 388 HB3 HIS 48 HB1 HIS 48 -4.292 -11.495 5.686 389 H ILE 49 HN ILE 49 -2.763 -9.130 6.049 390 HA ILE 49 HA ILE 49 -2.286 -9.287 8.809 391 HB ILE 49 HB ILE 49 -0.752 -7.627 6.802 392 HG12 ILE 49 HG12 ILE 49 -1.004 -9.949 6.015 393 HG13 ILE 49 HG11 ILE 49 0.662 -9.595 6.456 394 HG21 ILE 49 HG21 ILE 49 1.148 -8.014 8.313 395 HG22 ILE 49 HG22 ILE 49 0.078 -8.867 9.426 396 HG23 ILE 49 HG23 ILE 49 -0.167 -7.149 9.108 397 HD11 ILE 49 HD11 ILE 49 0.272 -10.713 8.626 398 HD12 ILE 49 HD12 ILE 49 0.091 -11.778 7.232 399 HD13 ILE 49 HD13 ILE 49 -1.338 -11.161 8.062 400 H LEU 50 HN LEU 50 -2.764 -6.518 6.659 401 HA LEU 50 HA LEU 50 -2.849 -4.661 8.864 402 HG LEU 50 HG LEU 50 -3.633 -5.236 5.313 403 HB2 LEU 50 HB2 LEU 50 -2.941 -2.987 7.142 404 HB3 LEU 50 HB1 LEU 50 -1.705 -4.163 6.762 405 HD11 LEU 50 HD11 LEU 50 -4.395 -2.320 5.403 406 HD12 LEU 50 HD12 LEU 50 -5.366 -3.663 6.000 407 HD13 LEU 50 HD13 LEU 50 -5.030 -3.521 4.279 408 HD21 LEU 50 HD21 LEU 50 -2.782 -3.996 3.394 409 HD22 LEU 50 HD22 LEU 50 -1.472 -4.453 4.486 410 HD23 LEU 50 HD23 LEU 50 -2.075 -2.795 4.475 411 H ASP 51 HN ASP 51 -5.117 -6.178 6.632 412 HA ASP 51 HA ASP 51 -7.309 -4.473 7.460 413 HB2 ASP 51 HB2 ASP 51 -7.074 -5.382 5.136 414 HB3 ASP 51 HB1 ASP 51 -7.408 -6.985 5.781 415 H LYS 52 HN LYS 52 -5.824 -6.685 9.202 416 HA LYS 52 HA LYS 52 -7.648 -8.639 9.889 417 HB2 LYS 52 HB2 LYS 52 -6.435 -8.806 12.010 418 HB3 LYS 52 HB1 LYS 52 -5.341 -8.647 10.646 419 HG2 LYS 52 HG2 LYS 52 -4.331 -7.150 11.964 420 HG3 LYS 52 HG1 LYS 52 -5.580 -6.066 11.351 421 HD2 LYS 52 HD2 LYS 52 -6.935 -6.436 13.292 422 HD3 LYS 52 HD1 LYS 52 -5.847 -7.697 13.870 423 HE2 LYS 52 HE2 LYS 52 -5.519 -5.570 15.060 424 HE3 LYS 52 HE1 LYS 52 -4.079 -6.076 14.177 425 HZ1 LYS 52 HZ1 LYS 52 -4.694 -4.539 12.400 426 HZ2 LYS 52 HZ2 LYS 52 -4.471 -3.732 13.870 427 HZ3 LYS 52 HZ3 LYS 52 -6.034 -4.025 13.294 428 H ASP 53 HN ASP 53 -7.447 -5.294 11.040 429 HA ASP 53 HA ASP 53 -9.988 -5.736 12.468 430 HB2 ASP 53 HB2 ASP 53 -8.114 -5.089 13.949 431 HB3 ASP 53 HB1 ASP 53 -7.907 -3.610 13.017 432 H LYS 54 HN LYS 54 -9.558 -5.018 9.588 433 HA LYS 54 HA LYS 54 -10.750 -2.340 9.575 434 HB2 LYS 54 HB2 LYS 54 -9.516 -3.840 7.294 435 HB3 LYS 54 HB1 LYS 54 -10.148 -2.199 7.257 436 HG2 LYS 54 HG2 LYS 54 -8.038 -2.935 9.213 437 HG3 LYS 54 HG1 LYS 54 -7.606 -2.567 7.540 438 HD2 LYS 54 HD2 LYS 54 -8.543 -0.372 7.722 439 HD3 LYS 54 HD1 LYS 54 -9.236 -0.742 9.302 440 HE2 LYS 54 HE2 LYS 54 -6.287 -0.701 8.682 441 HE3 LYS 54 HE1 LYS 54 -7.173 0.629 9.424 442 HZ1 LYS 54 HZ1 LYS 54 -7.741 -0.840 11.267 443 HZ2 LYS 54 HZ2 LYS 54 -6.066 -0.708 11.092 444 HZ3 LYS 54 HZ3 LYS 54 -6.863 -2.100 10.557 445 H SER 55 HN SER 55 -11.818 -5.423 9.601 446 HA SER 55 HA SER 55 -13.881 -6.307 9.252 447 HG SER 55 HG SER 55 -16.713 -4.343 8.389 448 HB2 SER 55 HB2 SER 55 -14.748 -4.018 9.726 449 HB3 SER 55 HB1 SER 55 -14.651 -3.663 8.001 450 H GLY 56 HN GLY 56 -11.653 -5.936 7.068 451 HA2 GLY 56 HA2 GLY 56 -11.560 -7.415 5.185 452 HA3 GLY 56 HA1 GLY 56 -13.291 -7.226 4.994 453 H PHE 57 HN PHE 57 -12.221 -4.169 5.513 454 HA PHE 57 HA PHE 57 -11.323 -3.692 2.779 455 HD1 PHE 57 HD1 PHE 57 -12.646 -2.963 0.465 456 HD2 PHE 57 HD2 PHE 57 -15.263 -4.460 3.469 457 HE1 PHE 57 HE1 PHE 57 -13.750 -4.385 -1.212 458 HE2 PHE 57 HE2 PHE 57 -16.370 -5.888 1.798 459 HZ PHE 57 HZ PHE 57 -15.615 -5.850 -0.545 460 HB2 PHE 57 HB2 PHE 57 -13.886 -2.624 3.934 461 HB3 PHE 57 HB1 PHE 57 -13.038 -1.767 2.646 462 H ILE 58 HN ILE 58 -10.079 -1.903 2.520 463 HA ILE 58 HA ILE 58 -9.473 -0.381 4.967 464 HB ILE 58 HB ILE 58 -7.625 0.075 2.762 465 HG12 ILE 58 HG12 ILE 58 -7.638 -2.718 3.919 466 HG13 ILE 58 HG11 ILE 58 -8.204 -2.321 2.300 467 HG21 ILE 58 HG21 ILE 58 -5.983 -0.459 4.556 468 HG22 ILE 58 HG22 ILE 58 -7.345 -0.834 5.613 469 HG23 ILE 58 HG23 ILE 58 -7.145 0.799 4.980 470 HD11 ILE 58 HD11 ILE 58 -5.993 -1.524 1.703 471 HD12 ILE 58 HD12 ILE 58 -5.931 -3.188 2.278 472 HD13 ILE 58 HD13 ILE 58 -5.416 -1.874 3.332 473 H GLU 59 HN GLU 59 -9.889 1.681 5.065 474 HA GLU 59 HA GLU 59 -11.076 2.956 2.719 475 HB2 GLU 59 HB2 GLU 59 -11.501 3.021 5.627 476 HB3 GLU 59 HB1 GLU 59 -11.677 4.574 4.808 477 HG2 GLU 59 HG2 GLU 59 -13.461 3.824 3.517 478 HG3 GLU 59 HG1 GLU 59 -13.082 2.126 3.804 479 H GLU 60 HN GLU 60 -10.160 4.581 1.777 480 HA GLU 60 HA GLU 60 -7.647 5.443 1.853 481 HB2 GLU 60 HB2 GLU 60 -8.568 7.733 1.117 482 HB3 GLU 60 HB1 GLU 60 -8.969 6.320 0.150 483 HG2 GLU 60 HG2 GLU 60 -11.129 6.608 0.499 484 HG3 GLU 60 HG1 GLU 60 -10.878 6.684 2.242 485 H ASP 61 HN ASP 61 -10.148 6.555 4.060 486 HA ASP 61 HA ASP 61 -8.618 8.633 5.226 487 HB2 ASP 61 HB2 ASP 61 -10.950 7.056 6.343 488 HB3 ASP 61 HB1 ASP 61 -10.291 8.521 7.069 489 H GLU 62 HN GLU 62 -9.334 5.316 6.297 490 HA GLU 62 HA GLU 62 -7.491 5.452 8.497 491 HB2 GLU 62 HB2 GLU 62 -9.586 4.033 8.417 492 HB3 GLU 62 HB1 GLU 62 -8.740 2.979 7.292 493 HG2 GLU 62 HG2 GLU 62 -8.575 2.006 9.443 494 HG3 GLU 62 HG1 GLU 62 -6.987 2.654 9.035 495 H LEU 63 HN LEU 63 -7.311 4.669 5.164 496 HA LEU 63 HA LEU 63 -5.316 2.838 4.905 497 HG LEU 63 HG LEU 63 -5.328 3.636 1.355 498 HB2 LEU 63 HB2 LEU 63 -6.656 4.536 3.276 499 HB3 LEU 63 HB1 LEU 63 -5.023 5.159 3.148 500 HD11 LEU 63 HD11 LEU 63 -3.747 1.780 1.940 501 HD12 LEU 63 HD12 LEU 63 -3.762 2.388 3.596 502 HD13 LEU 63 HD13 LEU 63 -3.164 3.407 2.289 503 HD21 LEU 63 HD21 LEU 63 -6.068 1.323 1.683 504 HD22 LEU 63 HD22 LEU 63 -7.297 2.486 2.181 505 HD23 LEU 63 HD23 LEU 63 -6.324 1.655 3.396 506 H GLY 64 HN GLY 64 -4.940 6.304 5.371 507 HA2 GLY 64 HA2 GLY 64 -2.146 6.403 5.302 508 HA3 GLY 64 HA1 GLY 64 -3.175 7.573 6.115 509 H SER 65 HN SER 65 -4.333 5.615 7.921 510 HA SER 65 HA SER 65 -2.285 5.666 9.936 511 HG SER 65 HG SER 65 -4.687 4.272 12.161 512 HB2 SER 65 HB2 SER 65 -4.723 6.054 10.412 513 HB3 SER 65 HB1 SER 65 -5.010 4.351 10.046 514 H ILE 66 HN ILE 66 -4.238 3.098 8.470 515 HA ILE 66 HA ILE 66 -2.857 0.926 9.535 516 HB ILE 66 HB ILE 66 -5.061 0.782 8.454 517 HG12 ILE 66 HG12 ILE 66 -4.767 -1.380 7.458 518 HG13 ILE 66 HG11 ILE 66 -3.082 -1.018 7.110 519 HG21 ILE 66 HG21 ILE 66 -3.620 0.876 5.825 520 HG22 ILE 66 HG22 ILE 66 -4.413 2.281 6.540 521 HG23 ILE 66 HG23 ILE 66 -5.359 0.857 6.116 522 HD11 ILE 66 HD11 ILE 66 -3.329 -2.528 9.011 523 HD12 ILE 66 HD12 ILE 66 -4.258 -1.291 9.860 524 HD13 ILE 66 HD13 ILE 66 -2.562 -1.010 9.472 525 H LEU 67 HN LEU 67 -1.946 3.079 6.989 526 HA LEU 67 HA LEU 67 -0.390 1.589 5.296 527 HG LEU 67 HG LEU 67 0.419 2.823 3.679 528 HB2 LEU 67 HB2 LEU 67 -0.598 4.320 6.039 529 HB3 LEU 67 HB1 LEU 67 1.106 3.919 5.999 530 HD11 LEU 67 HD11 LEU 67 -1.911 3.309 3.780 531 HD12 LEU 67 HD12 LEU 67 -1.186 4.314 2.526 532 HD13 LEU 67 HD13 LEU 67 -1.593 5.012 4.094 533 HD21 LEU 67 HD21 LEU 67 0.824 5.791 3.940 534 HD22 LEU 67 HD22 LEU 67 1.315 4.744 2.607 535 HD23 LEU 67 HD23 LEU 67 2.110 4.608 4.175 536 H LYS 68 HN LYS 68 0.221 2.353 8.616 537 HA LYS 68 HA LYS 68 2.925 2.118 8.839 538 HB2 LYS 68 HB2 LYS 68 0.832 1.071 10.735 539 HB3 LYS 68 HB1 LYS 68 2.527 1.343 11.132 540 HG2 LYS 68 HG2 LYS 68 0.688 3.498 10.118 541 HG3 LYS 68 HG1 LYS 68 0.969 3.175 11.837 542 HD2 LYS 68 HD2 LYS 68 3.387 3.560 11.461 543 HD3 LYS 68 HD1 LYS 68 3.028 3.965 9.780 544 HE2 LYS 68 HE2 LYS 68 1.966 5.415 12.205 545 HE3 LYS 68 HE1 LYS 68 3.286 5.969 11.177 546 HZ1 LYS 68 HZ1 LYS 68 1.192 7.039 10.607 547 HZ2 LYS 68 HZ2 LYS 68 0.482 5.537 10.294 548 HZ3 LYS 68 HZ3 LYS 68 1.750 6.090 9.322 549 H GLY 69 HN GLY 69 0.731 -0.442 7.967 550 HA2 GLY 69 HA2 GLY 69 2.032 -2.724 8.767 551 HA3 GLY 69 HA1 GLY 69 1.276 -2.561 7.183 552 H PHE 70 HN PHE 70 2.718 -0.971 5.747 553 HA PHE 70 HA PHE 70 5.375 -2.187 5.672 554 HD1 PHE 70 HD2 PHE 70 1.919 -2.054 3.810 555 HD2 PHE 70 HD1 PHE 70 4.606 1.089 2.794 556 HE1 PHE 70 HE2 PHE 70 0.032 -0.716 2.974 557 HE2 PHE 70 HE1 PHE 70 2.719 2.433 1.948 558 HZ PHE 70 HZ PHE 70 0.431 1.526 2.040 559 HB2 PHE 70 HB2 PHE 70 5.434 -1.042 3.366 560 HB3 PHE 70 HB1 PHE 70 4.368 -2.425 3.560 561 H SER 71 HN SER 71 3.657 0.806 5.842 562 HA SER 71 HA SER 71 5.834 2.606 5.725 563 HG SER 71 HG SER 71 3.599 5.248 6.068 564 HB2 SER 71 HB2 SER 71 3.577 3.267 5.061 565 HB3 SER 71 HB1 SER 71 3.017 3.037 6.716 566 H SER 72 HN SER 72 5.230 0.467 8.129 567 HA SER 72 HA SER 72 5.041 1.763 10.514 568 HG SER 72 HG SER 72 6.514 -0.793 12.244 569 HB2 SER 72 HB2 SER 72 5.209 -0.601 10.572 570 HB3 SER 72 HB1 SER 72 6.771 -0.588 9.754 571 H ASP 73 HN ASP 73 7.749 1.917 8.317 572 HA ASP 73 HA ASP 73 9.129 3.653 10.258 573 HB2 ASP 73 HB2 ASP 73 10.496 2.044 8.112 574 HB3 ASP 73 HB1 ASP 73 11.235 2.959 9.422 575 H ALA 74 HN ALA 74 7.140 4.193 8.067 576 HA ALA 74 HA ALA 74 8.735 6.158 6.562 577 HB1 ALA 74 HB1 ALA 74 6.240 4.816 5.535 578 HB2 ALA 74 HB2 ALA 74 7.867 4.245 5.170 579 HB3 ALA 74 HB3 ALA 74 7.357 5.846 4.641 580 H ARG 75 HN ARG 75 6.392 7.365 5.362 581 HA ARG 75 HA ARG 75 5.501 8.880 7.690 582 HE ARG 75 HE ARG 75 9.087 11.497 5.954 583 HB2 ARG 75 HB2 ARG 75 5.441 9.462 4.737 584 HB3 ARG 75 HB1 ARG 75 4.603 10.466 5.912 585 HG2 ARG 75 HG2 ARG 75 6.719 11.464 5.407 586 HG3 ARG 75 HG1 ARG 75 6.761 10.849 7.060 587 HD2 ARG 75 HD2 ARG 75 8.010 8.910 6.357 588 HD3 ARG 75 HD1 ARG 75 7.867 9.390 4.663 589 HH11 ARG 75 HH11 ARG 75 9.757 8.124 5.405 590 HH12 ARG 75 HH12 ARG 75 11.476 8.324 5.455 591 HH21 ARG 75 HH21 ARG 75 11.346 11.775 6.008 592 HH22 ARG 75 HH22 ARG 75 12.381 10.404 5.787 593 H ASP 76 HN ASP 76 3.509 8.766 4.796 594 HA ASP 76 HA ASP 76 1.712 6.782 5.354 595 HB2 ASP 76 HB2 ASP 76 -0.127 8.106 6.527 596 HB3 ASP 76 HB1 ASP 76 1.224 7.591 7.525 597 H LEU 77 HN LEU 77 -0.636 7.409 4.661 598 HA LEU 77 HA LEU 77 -0.430 8.747 2.080 599 HG LEU 77 HG LEU 77 -2.094 7.435 0.388 600 HB2 LEU 77 HB2 LEU 77 -2.112 6.714 3.306 601 HB3 LEU 77 HB1 LEU 77 -3.072 7.929 2.483 602 HD11 LEU 77 HD11 LEU 77 -0.272 5.572 0.375 603 HD12 LEU 77 HD12 LEU 77 0.017 6.119 2.022 604 HD13 LEU 77 HD13 LEU 77 0.176 7.248 0.680 605 HD21 LEU 77 HD21 LEU 77 -2.121 4.688 0.780 606 HD22 LEU 77 HD22 LEU 77 -3.491 5.708 0.340 607 HD23 LEU 77 HD23 LEU 77 -3.180 5.327 2.033 608 H SER 78 HN SER 78 -0.811 10.884 1.972 609 HA SER 78 HA SER 78 -2.479 12.148 4.005 610 HG SER 78 HG SER 78 -0.086 13.899 4.359 611 HB2 SER 78 HB2 SER 78 -0.786 13.353 1.799 612 HB3 SER 78 HB1 SER 78 -1.659 14.271 3.025 613 H ALA 79 HN ALA 79 -3.666 14.207 2.837 614 HA ALA 79 HA ALA 79 -5.983 13.283 1.703 615 HB1 ALA 79 HB1 ALA 79 -6.372 15.561 0.916 616 HB2 ALA 79 HB2 ALA 79 -4.659 15.931 1.136 617 HB3 ALA 79 HB3 ALA 79 -5.673 15.569 2.536 618 H LYS 80 HN LYS 80 -3.159 14.559 0.010 619 HA LYS 80 HA LYS 80 -4.020 14.251 -2.610 620 HB2 LYS 80 HB2 LYS 80 -2.001 15.486 -1.986 621 HB3 LYS 80 HB1 LYS 80 -1.219 13.986 -1.503 622 HG2 LYS 80 HG2 LYS 80 -1.418 13.194 -3.850 623 HG3 LYS 80 HG1 LYS 80 -2.048 14.785 -4.286 624 HD2 LYS 80 HD2 LYS 80 0.025 15.819 -3.491 625 HD3 LYS 80 HD1 LYS 80 0.655 14.226 -3.066 626 HE2 LYS 80 HE2 LYS 80 1.553 14.944 -5.201 627 HE3 LYS 80 HE1 LYS 80 0.499 13.549 -5.419 628 HZ1 LYS 80 HZ1 LYS 80 -0.227 16.382 -5.933 629 HZ2 LYS 80 HZ2 LYS 80 -1.274 15.064 -6.100 630 HZ3 LYS 80 HZ3 LYS 80 0.079 15.203 -7.107 631 H GLU 81 HN GLU 81 -2.150 11.958 -0.635 632 HA GLU 81 HA GLU 81 -1.984 9.949 -2.617 633 HB2 GLU 81 HB2 GLU 81 -1.872 9.442 0.327 634 HB3 GLU 81 HB1 GLU 81 -1.004 8.605 -0.942 635 HG2 GLU 81 HG2 GLU 81 -0.474 11.367 0.120 636 HG3 GLU 81 HG1 GLU 81 0.558 9.945 0.246 637 H THR 82 HN THR 82 -4.344 10.648 -0.087 638 HA THR 82 HA THR 82 -5.620 8.140 -0.132 639 HB THR 82 HB THR 82 -7.689 9.902 0.232 640 HG1 THR 82 HG1 THR 82 -6.947 11.775 0.932 641 HG21 THR 82 HG21 THR 82 -6.743 7.992 1.666 642 HG22 THR 82 HG22 THR 82 -7.545 9.329 2.496 643 HG23 THR 82 HG23 THR 82 -5.783 9.248 2.453 644 H LYS 83 HN LYS 83 -6.238 11.125 -1.881 645 HA LYS 83 HA LYS 83 -8.145 9.951 -3.646 646 HB2 LYS 83 HB2 LYS 83 -6.677 12.584 -3.844 647 HB3 LYS 83 HB1 LYS 83 -8.105 12.123 -4.765 648 HG2 LYS 83 HG2 LYS 83 -8.057 12.259 -1.762 649 HG3 LYS 83 HG1 LYS 83 -8.518 13.619 -2.785 650 HD2 LYS 83 HD2 LYS 83 -9.843 10.907 -2.795 651 HD3 LYS 83 HD1 LYS 83 -10.464 12.335 -1.965 652 HE2 LYS 83 HE2 LYS 83 -10.567 13.506 -4.141 653 HE3 LYS 83 HE1 LYS 83 -10.038 12.024 -4.936 654 HZ1 LYS 83 HZ1 LYS 83 -12.444 12.299 -5.027 655 HZ2 LYS 83 HZ2 LYS 83 -12.524 12.315 -3.337 656 HZ3 LYS 83 HZ3 LYS 83 -12.023 10.917 -4.147 657 H THR 84 HN THR 84 -4.682 10.357 -3.627 658 HA THR 84 HA THR 84 -4.476 9.896 -6.465 659 HB THR 84 HB THR 84 -2.293 10.266 -4.444 660 HG1 THR 84 HG1 THR 84 -3.068 12.077 -6.475 661 HG21 THR 84 HG21 THR 84 -1.532 8.963 -6.376 662 HG22 THR 84 HG22 THR 84 -0.819 10.578 -6.371 663 HG23 THR 84 HG23 THR 84 -2.158 10.208 -7.458 664 H LEU 85 HN LEU 85 -3.183 8.285 -3.564 665 HA LEU 85 HA LEU 85 -2.442 5.984 -5.154 666 HG LEU 85 HG LEU 85 -1.983 3.945 -3.243 667 HB2 LEU 85 HB2 LEU 85 -1.042 6.800 -3.267 668 HB3 LEU 85 HB1 LEU 85 -2.303 6.268 -2.167 669 HD11 LEU 85 HD11 LEU 85 0.245 3.533 -4.143 670 HD12 LEU 85 HD12 LEU 85 0.592 5.260 -4.067 671 HD13 LEU 85 HD13 LEU 85 -0.667 4.661 -5.146 672 HD21 LEU 85 HD21 LEU 85 -0.127 3.430 -1.729 673 HD22 LEU 85 HD22 LEU 85 -1.343 4.450 -0.964 674 HD23 LEU 85 HD23 LEU 85 0.171 5.156 -1.522 675 H MET 86 HN MET 86 -4.727 6.534 -2.424 676 HA MET 86 HA MET 86 -5.734 3.878 -2.578 677 HB2 MET 86 HB2 MET 86 -6.009 5.642 -0.667 678 HB3 MET 86 HB1 MET 86 -7.446 6.119 -1.560 679 HG2 MET 86 HG2 MET 86 -6.882 3.359 -0.510 680 HG3 MET 86 HG1 MET 86 -7.969 4.539 0.215 681 HE1 MET 86 HE1 MET 86 -9.070 5.796 -2.591 682 HE2 MET 86 HE2 MET 86 -10.126 5.542 -1.202 683 HE3 MET 86 HE3 MET 86 -10.581 4.909 -2.783 684 H ALA 87 HN ALA 87 -6.977 6.942 -3.895 685 HA ALA 87 HA ALA 87 -9.262 5.808 -5.106 686 HB1 ALA 87 HB1 ALA 87 -8.156 8.146 -6.467 687 HB2 ALA 87 HB2 ALA 87 -8.356 8.346 -4.721 688 HB3 ALA 87 HB3 ALA 87 -9.736 7.900 -5.728 689 H ALA 88 HN ALA 88 -5.935 6.289 -6.326 690 HA ALA 88 HA ALA 88 -6.552 5.546 -8.996 691 HB1 ALA 88 HB1 ALA 88 -3.919 5.381 -7.523 692 HB2 ALA 88 HB2 ALA 88 -4.501 6.756 -8.462 693 HB3 ALA 88 HB3 ALA 88 -4.131 5.232 -9.267 694 H GLY 89 HN GLY 89 -4.700 3.714 -6.558 695 HA2 GLY 89 HA2 GLY 89 -4.636 1.226 -7.674 696 HA3 GLY 89 HA1 GLY 89 -4.830 1.504 -5.950 697 H ASP 90 HN ASP 90 -7.323 2.828 -6.187 698 HA ASP 90 HA ASP 90 -9.029 0.500 -6.377 699 HB2 ASP 90 HB2 ASP 90 -9.042 1.586 -4.259 700 HB3 ASP 90 HB1 ASP 90 -9.465 3.137 -4.994 701 H LYS 91 HN LYS 91 -8.349 1.555 -8.845 702 HA LYS 91 HA LYS 91 -9.580 3.314 -10.356 703 HB2 LYS 91 HB2 LYS 91 -9.548 0.336 -10.730 704 HB3 LYS 91 HB1 LYS 91 -10.382 1.342 -11.909 705 HG2 LYS 91 HG2 LYS 91 -8.260 0.899 -12.750 706 HG3 LYS 91 HG1 LYS 91 -8.229 2.585 -12.222 707 HD2 LYS 91 HD2 LYS 91 -6.680 2.162 -10.674 708 HD3 LYS 91 HD1 LYS 91 -7.472 0.654 -10.182 709 HE2 LYS 91 HE2 LYS 91 -5.232 0.245 -11.115 710 HE3 LYS 91 HE1 LYS 91 -6.489 -0.473 -12.119 711 HZ1 LYS 91 HZ1 LYS 91 -6.308 1.346 -13.653 712 HZ2 LYS 91 HZ2 LYS 91 -4.769 0.685 -13.412 713 HZ3 LYS 91 HZ3 LYS 91 -5.189 2.141 -12.663 714 H ASP 92 HN ASP 92 -11.264 0.579 -9.003 715 HA ASP 92 HA ASP 92 -13.767 0.892 -10.153 716 HB2 ASP 92 HB2 ASP 92 -13.024 -0.149 -7.424 717 HB3 ASP 92 HB1 ASP 92 -14.671 -0.203 -8.045 718 H GLY 93 HN GLY 93 -12.318 3.015 -7.889 719 HA2 GLY 93 HA2 GLY 93 -13.019 5.012 -7.029 720 HA3 GLY 93 HA1 GLY 93 -14.411 4.899 -8.099 721 H ASP 94 HN ASP 94 -13.438 2.730 -5.471 722 HA ASP 94 HA ASP 94 -16.087 3.096 -4.294 723 HB2 ASP 94 HB2 ASP 94 -13.944 1.015 -3.851 724 HB3 ASP 94 HB1 ASP 94 -15.432 1.093 -2.911 725 H GLY 95 HN GLY 95 -13.011 4.367 -3.882 726 HA2 GLY 95 HA2 GLY 95 -12.245 5.816 -2.239 727 HA3 GLY 95 HA1 GLY 95 -13.748 5.544 -1.394 728 H LYS 96 HN LYS 96 -12.171 2.736 -2.203 729 HA LYS 96 HA LYS 96 -10.535 2.496 0.148 730 HB2 LYS 96 HB2 LYS 96 -12.286 0.235 0.315 731 HB3 LYS 96 HB1 LYS 96 -11.995 1.463 1.525 732 HG2 LYS 96 HG2 LYS 96 -13.908 2.154 -0.625 733 HG3 LYS 96 HG1 LYS 96 -14.405 0.933 0.545 734 HD2 LYS 96 HD2 LYS 96 -14.479 2.404 2.265 735 HD3 LYS 96 HD1 LYS 96 -13.147 3.375 1.636 736 HE2 LYS 96 HE2 LYS 96 -14.577 4.451 0.065 737 HE3 LYS 96 HE1 LYS 96 -15.897 3.329 0.407 738 HZ1 LYS 96 HZ1 LYS 96 -16.251 5.448 1.497 739 HZ2 LYS 96 HZ2 LYS 96 -14.768 5.325 2.299 740 HZ3 LYS 96 HZ3 LYS 96 -16.012 4.237 2.654 741 H ILE 97 HN ILE 97 -9.229 0.576 0.126 742 HA ILE 97 HA ILE 97 -9.143 -0.694 -2.525 743 HB ILE 97 HB ILE 97 -6.983 -0.492 -0.413 744 HG12 ILE 97 HG12 ILE 97 -7.328 0.778 -3.135 745 HG13 ILE 97 HG11 ILE 97 -7.227 1.591 -1.577 746 HG21 ILE 97 HG21 ILE 97 -5.504 -1.584 -2.039 747 HG22 ILE 97 HG22 ILE 97 -6.877 -1.826 -3.119 748 HG23 ILE 97 HG23 ILE 97 -6.835 -2.638 -1.555 749 HD11 ILE 97 HD11 ILE 97 -5.164 1.843 -2.817 750 HD12 ILE 97 HD12 ILE 97 -4.994 0.089 -2.937 751 HD13 ILE 97 HD13 ILE 97 -4.896 0.882 -1.363 752 H GLY 98 HN GLY 98 -10.147 -2.581 -2.600 753 HA2 GLY 98 HA2 GLY 98 -10.286 -4.249 -0.197 754 HA3 GLY 98 HA1 GLY 98 -11.236 -4.460 -1.663 755 H VAL 99 HN VAL 99 -10.039 -6.641 -0.530 756 HA VAL 99 HA VAL 99 -7.484 -7.334 -1.222 757 HB VAL 99 HB VAL 99 -9.073 -8.800 0.014 758 HG11 VAL 99 HG11 VAL 99 -10.632 -10.195 -1.141 759 HG12 VAL 99 HG12 VAL 99 -10.082 -9.601 -2.708 760 HG13 VAL 99 HG13 VAL 99 -10.952 -8.525 -1.613 761 HG21 VAL 99 HG21 VAL 99 -8.196 -10.913 -0.872 762 HG22 VAL 99 HG22 VAL 99 -6.945 -9.676 -0.773 763 HG23 VAL 99 HG23 VAL 99 -7.668 -10.076 -2.331 764 H GLU 100 HN GLU 100 -10.321 -7.261 -3.318 765 HA GLU 100 HA GLU 100 -9.012 -8.399 -5.563 766 HB2 GLU 100 HB2 GLU 100 -10.984 -7.641 -6.852 767 HB3 GLU 100 HB1 GLU 100 -11.398 -8.557 -5.411 768 HG2 GLU 100 HG2 GLU 100 -12.911 -6.855 -5.332 769 HG3 GLU 100 HG1 GLU 100 -11.614 -6.270 -4.303 770 H GLU 101 HN GLU 101 -9.763 -5.041 -4.657 771 HA GLU 101 HA GLU 101 -8.523 -3.964 -6.991 772 HB2 GLU 101 HB2 GLU 101 -9.786 -2.875 -4.535 773 HB3 GLU 101 HB1 GLU 101 -8.683 -1.810 -5.403 774 HG2 GLU 101 HG2 GLU 101 -10.716 -3.243 -7.008 775 HG3 GLU 101 HG1 GLU 101 -11.287 -1.963 -5.944 776 H PHE 102 HN PHE 102 -7.389 -4.970 -3.885 777 HA PHE 102 HA PHE 102 -5.130 -3.414 -3.513 778 HD1 PHE 102 HD1 PHE 102 -2.657 -6.282 -3.012 779 HD2 PHE 102 HD2 PHE 102 -5.035 -3.840 -0.482 780 HE1 PHE 102 HE1 PHE 102 -0.674 -5.804 -1.628 781 HE2 PHE 102 HE2 PHE 102 -3.067 -3.349 0.911 782 HZ PHE 102 HZ PHE 102 -0.880 -4.332 0.338 783 HB2 PHE 102 HB2 PHE 102 -6.033 -5.367 -2.066 784 HB3 PHE 102 HB1 PHE 102 -5.048 -6.394 -3.090 785 H SER 103 HN SER 103 -5.675 -6.107 -5.690 786 HA SER 103 HA SER 103 -2.956 -6.225 -6.613 787 HG SER 103 HG SER 103 -4.946 -8.014 -5.632 788 HB2 SER 103 HB2 SER 103 -5.434 -7.380 -7.914 789 HB3 SER 103 HB1 SER 103 -3.763 -7.868 -8.192 790 H THR 104 HN THR 104 -5.899 -4.614 -7.498 791 HA THR 104 HA THR 104 -5.351 -3.918 -10.127 792 HB THR 104 HB THR 104 -6.880 -2.354 -8.040 793 HG1 THR 104 HG1 THR 104 -7.572 -4.373 -9.906 794 HG21 THR 104 HG21 THR 104 -6.757 -2.061 -11.040 795 HG22 THR 104 HG22 THR 104 -6.345 -0.866 -9.811 796 HG23 THR 104 HG23 THR 104 -8.020 -1.358 -10.034 797 H LEU 105 HN LEU 105 -4.514 -2.146 -7.122 798 HA LEU 105 HA LEU 105 -3.223 -0.043 -8.502 799 HG LEU 105 HG LEU 105 -2.184 0.084 -4.482 800 HB2 LEU 105 HB2 LEU 105 -3.109 0.934 -6.562 801 HB3 LEU 105 HB1 LEU 105 -3.984 -0.427 -5.919 802 HD11 LEU 105 HD11 LEU 105 -0.678 -2.082 -5.511 803 HD12 LEU 105 HD12 LEU 105 -2.391 -2.386 -5.814 804 HD13 LEU 105 HD13 LEU 105 -1.829 -2.071 -4.173 805 HD21 LEU 105 HD21 LEU 105 -0.257 0.958 -5.167 806 HD22 LEU 105 HD22 LEU 105 -1.000 1.016 -6.772 807 HD23 LEU 105 HD23 LEU 105 0.021 -0.358 -6.314 808 H VAL 106 HN VAL 106 -2.202 -3.237 -7.691 809 HA VAL 106 HA VAL 106 0.575 -2.850 -7.607 810 HB VAL 106 HB VAL 106 -0.963 -5.223 -8.690 811 HG11 VAL 106 HG11 VAL 106 1.098 -6.496 -8.395 812 HG12 VAL 106 HG12 VAL 106 1.946 -5.024 -7.919 813 HG13 VAL 106 HG13 VAL 106 1.318 -5.191 -9.559 814 HG21 VAL 106 HG21 VAL 106 -1.384 -4.672 -6.315 815 HG22 VAL 106 HG22 VAL 106 0.347 -4.814 -6.005 816 HG23 VAL 106 HG23 VAL 106 -0.574 -6.227 -6.527 817 H ALA 107 HN ALA 107 -1.719 -2.952 -10.222 818 HA ALA 107 HA ALA 107 0.285 -2.975 -12.297 819 HB1 ALA 107 HB1 ALA 107 -1.582 -2.755 -13.832 820 HB2 ALA 107 HB2 ALA 107 -2.676 -2.415 -12.490 821 HB3 ALA 107 HB3 ALA 107 -1.927 -4.006 -12.637 822 H GLU 108 HN GLU 108 -1.630 -0.635 -10.541 823 HA GLU 108 HA GLU 108 -1.444 1.604 -12.140 824 HB2 GLU 108 HB2 GLU 108 -1.427 1.288 -9.151 825 HB3 GLU 108 HB1 GLU 108 -1.341 2.875 -9.903 826 HG2 GLU 108 HG2 GLU 108 -3.489 0.970 -10.678 827 HG3 GLU 108 HG1 GLU 108 -3.636 1.913 -9.197 828 H SER 109 HN SER 109 0.656 1.132 -9.321 829 HA SER 109 HA SER 109 2.617 2.946 -10.163 830 HG SER 109 HG SER 109 4.658 2.598 -8.910 831 HB2 SER 109 HB2 SER 109 2.524 2.357 -7.850 832 HB3 SER 109 HB1 SER 109 2.752 0.648 -8.206
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