NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
463525 | 2yrl | 11231 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 25.701 11.142 18.272 2 HA2 GLY 1 1HA GLY 1 25.827 13.616 17.241 3 HA3 GLY 1 2HA GLY 1 25.833 12.195 16.207 4 H SER 2 H SER 2 24.868 13.695 14.642 5 HA SER 2 HA SER 2 22.096 14.437 15.150 6 HB2 SER 2 1HB SER 2 22.257 15.562 12.930 7 HB3 SER 2 2HB SER 2 23.481 16.113 14.074 8 HG SER 2 HG SER 2 23.773 14.438 11.827 9 H SER 3 H SER 3 20.474 14.003 13.422 10 HA SER 3 HA SER 3 20.515 11.184 12.779 11 HB2 SER 3 1HB SER 3 18.425 13.342 12.472 12 HB3 SER 3 2HB SER 3 18.183 11.693 11.896 13 HG SER 3 HG SER 3 18.114 12.688 14.447 14 H GLY 4 H GLY 4 20.691 10.271 10.794 15 HA2 GLY 4 1HA GLY 4 20.897 12.076 8.472 16 HA3 GLY 4 2HA GLY 4 22.152 10.885 8.782 17 H SER 5 H SER 5 20.680 8.685 9.515 18 HA SER 5 HA SER 5 20.078 7.453 7.150 19 HB2 SER 5 1HB SER 5 20.322 6.132 9.133 20 HB3 SER 5 2HB SER 5 18.956 6.933 9.909 21 HG SER 5 HG SER 5 17.779 5.424 9.067 22 H SER 6 H SER 6 18.476 7.514 5.713 23 HA SER 6 HA SER 6 16.210 9.266 6.225 24 HB2 SER 6 1HB SER 6 15.779 9.112 3.840 25 HB3 SER 6 2HB SER 6 17.495 9.431 4.095 26 HG SER 6 HG SER 6 17.516 6.932 4.033 27 H GLY 7 H GLY 7 14.117 8.400 4.970 28 HA2 GLY 7 1HA GLY 7 13.044 6.365 6.574 29 HA3 GLY 7 2HA GLY 7 12.321 6.977 5.094 30 H GLN 8 H GLN 8 13.358 4.250 6.542 31 HA GLN 8 HA GLN 8 14.759 2.942 4.443 32 HB2 GLN 8 1HB GLN 8 14.538 2.357 6.996 33 HB3 GLN 8 2HB GLN 8 13.143 1.431 6.457 34 HG2 GLN 8 1HG GLN 8 15.016 -0.032 6.556 35 HG3 GLN 8 2HG GLN 8 14.622 0.240 4.860 36 HE21 GLN 8 1HE2 GLN 8 16.964 -0.715 5.047 37 HE22 GLN 8 2HE2 GLN 8 18.220 0.467 4.959 38 H ALA 9 H ALA 9 11.373 2.850 5.518 39 HA ALA 9 HA ALA 9 10.618 1.986 2.818 40 HB1 ALA 9 3HB ALA 9 10.715 0.002 4.317 41 HB2 ALA 9 1HB ALA 9 9.462 0.747 5.310 42 HB3 ALA 9 2HB ALA 9 9.117 0.307 3.636 43 H ASP 10 H ASP 10 9.206 3.381 2.016 44 HA ASP 10 HA ASP 10 7.421 4.808 3.876 45 HB2 ASP 10 1HB ASP 10 9.150 6.155 2.570 46 HB3 ASP 10 2HB ASP 10 8.212 5.772 1.130 47 H ALA 11 H ALA 11 5.511 3.795 3.842 48 HA ALA 11 HA ALA 11 4.491 2.599 1.406 49 HB1 ALA 11 3HB ALA 11 2.500 2.112 2.991 50 HB2 ALA 11 1HB ALA 11 4.025 1.260 3.234 51 HB3 ALA 11 2HB ALA 11 3.606 2.631 4.263 52 H GLY 12 H GLY 12 4.820 5.470 1.404 53 HA2 GLY 12 1HA GLY 12 3.682 7.321 0.664 54 HA3 GLY 12 2HA GLY 12 2.375 6.227 0.235 55 HA PRO 13 HA PRO 13 1.319 9.036 3.928 56 HB2 PRO 13 1HB PRO 13 -0.350 10.752 2.647 57 HB3 PRO 13 2HB PRO 13 1.385 11.045 2.816 58 HG2 PRO 13 1HG PRO 13 -0.133 9.951 0.479 59 HG3 PRO 13 2HG PRO 13 1.180 11.142 0.502 60 HD2 PRO 13 1HD PRO 13 1.584 8.541 -0.132 61 HD3 PRO 13 2HD PRO 13 2.813 9.526 0.688 62 H ASP 14 H ASP 14 -1.117 9.718 4.427 63 HA ASP 14 HA ASP 14 -2.588 7.348 4.641 64 HB2 ASP 14 1HB ASP 14 -4.409 8.742 5.476 65 HB3 ASP 14 2HB ASP 14 -2.873 9.277 6.152 66 H LYS 15 H LYS 15 -4.190 6.432 3.464 67 HA LYS 15 HA LYS 15 -4.732 7.629 0.836 68 HB2 LYS 15 1HB LYS 15 -4.833 4.792 1.844 69 HB3 LYS 15 2HB LYS 15 -5.575 5.263 0.320 70 HG2 LYS 15 1HG LYS 15 -2.734 5.996 0.788 71 HG3 LYS 15 2HG LYS 15 -3.124 4.313 0.428 72 HD2 LYS 15 1HD LYS 15 -3.964 4.832 -1.681 73 HD3 LYS 15 2HD LYS 15 -4.207 6.531 -1.271 74 HE2 LYS 15 1HE LYS 15 -1.657 6.639 -1.043 75 HE3 LYS 15 2HE LYS 15 -1.644 5.094 -1.891 76 HZ1 LYS 15 3HZ LYS 15 -3.232 6.527 -3.477 77 HZ2 LYS 15 1HZ LYS 15 -1.558 6.415 -3.689 78 HZ3 LYS 15 2HZ LYS 15 -2.222 7.753 -2.895 79 H GLU 16 H GLU 16 -6.631 8.574 0.543 80 HA GLU 16 HA GLU 16 -8.943 7.595 2.085 81 HB2 GLU 16 1HB GLU 16 -7.895 9.935 2.655 82 HB3 GLU 16 2HB GLU 16 -8.757 10.452 1.212 83 HG2 GLU 16 1HG GLU 16 -10.816 9.377 2.296 84 HG3 GLU 16 2HG GLU 16 -9.867 9.393 3.782 85 H LEU 17 H LEU 17 -10.143 6.507 0.656 86 HA LEU 17 HA LEU 17 -10.515 7.638 -2.031 87 HB2 LEU 17 1HB LEU 17 -11.305 4.879 -1.149 88 HB3 LEU 17 2HB LEU 17 -11.076 5.478 -2.790 89 HG LEU 17 HG LEU 17 -8.766 5.332 -0.888 90 HD11 LEU 17 1HD1 LEU 17 -10.167 3.115 -1.215 91 HD12 LEU 17 2HD1 LEU 17 -8.404 3.107 -1.215 92 HD13 LEU 17 3HD1 LEU 17 -9.285 3.071 -2.742 93 HD21 LEU 17 3HD2 LEU 17 -8.526 4.719 -3.759 94 HD22 LEU 17 1HD2 LEU 17 -7.493 5.693 -2.711 95 HD23 LEU 17 2HD2 LEU 17 -8.982 6.377 -3.364 96 H THR 18 H THR 18 -12.612 7.753 -2.942 97 HA THR 18 HA THR 18 -14.833 7.595 -1.018 98 HB THR 18 HB THR 18 -14.491 9.837 -3.016 99 HG1 THR 18 1HG THR 18 -14.118 9.853 -0.187 100 HG21 THR 18 3HG2 THR 18 -16.345 10.867 -1.794 101 HG22 THR 18 1HG2 THR 18 -16.447 9.453 -0.746 102 HG23 THR 18 2HG2 THR 18 -16.818 9.306 -2.464 103 H LEU 19 H LEU 19 -16.189 6.105 -1.760 104 HA LEU 19 HA LEU 19 -16.317 4.847 -4.129 105 HB2 LEU 19 1HB LEU 19 -18.442 5.597 -2.182 106 HB3 LEU 19 2HB LEU 19 -18.915 4.841 -3.703 107 HG LEU 19 HG LEU 19 -18.718 3.255 -1.804 108 HD11 LEU 19 1HD1 LEU 19 -17.412 1.577 -3.025 109 HD12 LEU 19 2HD1 LEU 19 -16.784 2.843 -4.079 110 HD13 LEU 19 3HD1 LEU 19 -18.506 2.464 -4.087 111 HD21 LEU 19 3HD2 LEU 19 -16.438 2.622 -1.075 112 HD22 LEU 19 1HD2 LEU 19 -16.894 4.255 -0.590 113 HD23 LEU 19 2HD2 LEU 19 -15.803 4.013 -1.955 114 HA PRO 20 HA PRO 20 -18.252 3.976 -5.366 115 HB2 PRO 20 1HB PRO 20 -17.983 3.522 -8.029 116 HB3 PRO 20 2HB PRO 20 -19.491 4.085 -7.298 117 HG2 PRO 20 1HG PRO 20 -17.375 5.653 -8.722 118 HG3 PRO 20 2HG PRO 20 -19.139 5.776 -8.855 119 HD2 PRO 20 1HD PRO 20 -17.666 7.500 -7.375 120 HD3 PRO 20 2HD PRO 20 -19.322 7.037 -6.934 121 H VAL 21 H VAL 21 -15.599 5.886 -6.084 122 HA VAL 21 HA VAL 21 -13.736 4.201 -7.241 123 HB VAL 21 HB VAL 21 -13.257 6.251 -5.073 124 HG11 VAL 21 1HG1 VAL 21 -10.988 6.230 -6.520 125 HG12 VAL 21 2HG1 VAL 21 -11.222 5.271 -5.057 126 HG13 VAL 21 3HG1 VAL 21 -11.446 4.531 -6.643 127 HG21 VAL 21 3HG2 VAL 21 -14.305 7.314 -6.920 128 HG22 VAL 21 1HG2 VAL 21 -12.581 7.665 -7.046 129 HG23 VAL 21 2HG2 VAL 21 -13.308 6.434 -8.079 130 H ASP 22 H ASP 22 -14.040 2.079 -6.502 131 HA ASP 22 HA ASP 22 -13.310 1.563 -3.703 132 HB2 ASP 22 1HB ASP 22 -14.187 -0.773 -4.240 133 HB3 ASP 22 2HB ASP 22 -15.379 0.523 -4.185 134 H SER 23 H SER 23 -11.231 2.297 -5.351 135 HA SER 23 HA SER 23 -9.543 -0.026 -5.165 136 HB2 SER 23 1HB SER 23 -8.935 -0.245 -7.445 137 HB3 SER 23 2HB SER 23 -10.697 -0.169 -7.445 138 HG SER 23 HG SER 23 -9.793 1.201 -9.032 139 H THR 24 H THR 24 -7.386 0.492 -5.008 140 HA THR 24 HA THR 24 -6.556 3.244 -5.528 141 HB THR 24 HB THR 24 -7.323 3.138 -3.143 142 HG1 THR 24 1HG THR 24 -5.804 4.690 -3.614 143 HG21 THR 24 3HG2 THR 24 -6.695 0.874 -2.585 144 HG22 THR 24 1HG2 THR 24 -5.815 1.986 -1.537 145 HG23 THR 24 2HG2 THR 24 -4.997 1.227 -2.903 146 H THR 25 H THR 25 -4.126 3.466 -5.049 147 HA THR 25 HA THR 25 -2.715 0.956 -5.646 148 HB THR 25 HB THR 25 -1.208 2.302 -7.179 149 HG1 THR 25 1HG THR 25 -2.182 4.214 -8.039 150 HG21 THR 25 3HG2 THR 25 -3.906 1.303 -7.684 151 HG22 THR 25 1HG2 THR 25 -2.411 1.024 -8.577 152 HG23 THR 25 2HG2 THR 25 -3.361 2.479 -8.880 153 H LEU 26 H LEU 26 -1.073 0.609 -4.307 154 HA LEU 26 HA LEU 26 -0.123 2.814 -2.638 155 HB2 LEU 26 1HB LEU 26 0.481 -0.127 -2.392 156 HB3 LEU 26 2HB LEU 26 0.804 1.128 -1.197 157 HG LEU 26 HG LEU 26 -2.004 0.527 -2.055 158 HD11 LEU 26 1HD1 LEU 26 -0.351 -1.415 -0.986 159 HD12 LEU 26 2HD1 LEU 26 -2.114 -1.407 -0.962 160 HD13 LEU 26 3HD1 LEU 26 -1.212 -0.770 0.412 161 HD21 LEU 26 3HD2 LEU 26 -1.241 2.543 -0.638 162 HD22 LEU 26 1HD2 LEU 26 -1.028 1.358 0.651 163 HD23 LEU 26 2HD2 LEU 26 -2.616 1.587 -0.081 164 H ASP 27 H ASP 27 1.206 3.863 -4.156 165 HA ASP 27 HA ASP 27 3.357 2.434 -5.440 166 HB2 ASP 27 1HB ASP 27 2.273 4.343 -6.552 167 HB3 ASP 27 2HB ASP 27 2.819 5.406 -5.258 168 H GLY 28 H GLY 28 4.947 1.707 -4.163 169 HA2 GLY 28 1HA GLY 28 5.967 3.495 -2.052 170 HA3 GLY 28 2HA GLY 28 6.151 1.747 -2.070 171 H SER 29 H SER 29 6.669 3.706 -4.915 172 HA SER 29 HA SER 29 9.206 2.618 -5.423 173 HB2 SER 29 1HB SER 29 7.682 4.957 -6.527 174 HB3 SER 29 2HB SER 29 9.357 4.691 -7.008 175 HG SER 29 HG SER 29 8.425 2.392 -7.344 176 H LYS 30 H LYS 30 8.192 5.389 -3.586 177 HA LYS 30 HA LYS 30 10.923 6.392 -3.355 178 HB2 LYS 30 1HB LYS 30 8.305 7.440 -2.267 179 HB3 LYS 30 2HB LYS 30 9.863 8.218 -2.027 180 HG2 LYS 30 1HG LYS 30 8.968 7.629 -4.803 181 HG3 LYS 30 2HG LYS 30 8.244 8.986 -3.937 182 HD2 LYS 30 1HD LYS 30 11.221 8.641 -4.081 183 HD3 LYS 30 2HD LYS 30 10.328 9.429 -5.384 184 HE2 LYS 30 1HE LYS 30 9.663 11.196 -4.022 185 HE3 LYS 30 2HE LYS 30 9.964 10.292 -2.539 186 HZ1 LYS 30 3HZ LYS 30 12.353 10.409 -3.043 187 HZ2 LYS 30 1HZ LYS 30 11.663 11.941 -2.842 188 HZ3 LYS 30 2HZ LYS 30 12.016 11.370 -4.394 189 H SER 31 H SER 31 11.032 4.006 -2.308 190 HA SER 31 HA SER 31 10.418 4.089 0.536 191 HB2 SER 31 1HB SER 31 11.316 1.973 -1.378 192 HB3 SER 31 2HB SER 31 11.621 1.746 0.344 193 HG SER 31 HG SER 31 9.591 0.882 -0.371 194 H SER 32 H SER 32 13.208 4.084 -1.613 195 HA SER 32 HA SER 32 14.877 4.895 0.668 196 HB2 SER 32 1HB SER 32 15.433 2.748 -1.362 197 HB3 SER 32 2HB SER 32 16.761 3.609 -0.584 198 HG SER 32 HG SER 32 16.472 2.156 0.915 199 H ASP 33 H ASP 33 16.935 5.947 -0.056 200 HA ASP 33 HA ASP 33 16.469 7.508 -2.512 201 HB2 ASP 33 1HB ASP 33 16.343 8.669 -0.190 202 HB3 ASP 33 2HB ASP 33 18.099 8.529 -0.205 203 H ASP 34 H ASP 34 19.119 6.614 -0.294 204 HA ASP 34 HA ASP 34 20.979 6.616 -2.541 205 HB2 ASP 34 1HB ASP 34 21.410 6.317 0.437 206 HB3 ASP 34 2HB ASP 34 22.704 6.259 -0.757 207 H GLN 35 H GLN 35 20.218 4.419 0.168 208 HA GLN 35 HA GLN 35 21.439 2.187 -1.164 209 HB2 GLN 35 1HB GLN 35 21.232 2.622 1.380 210 HB3 GLN 35 2HB GLN 35 19.609 1.966 1.209 211 HG2 GLN 35 1HG GLN 35 21.041 0.209 1.918 212 HG3 GLN 35 2HG GLN 35 20.611 -0.089 0.235 213 HE21 GLN 35 1HE2 GLN 35 22.175 0.141 -1.363 214 HE22 GLN 35 2HE2 GLN 35 23.862 0.194 -0.996 215 H LYS 36 H LYS 36 20.475 1.364 -2.908 216 HA LYS 36 HA LYS 36 17.755 1.535 -3.531 217 HB2 LYS 36 1HB LYS 36 19.901 -0.362 -4.481 218 HB3 LYS 36 2HB LYS 36 18.276 -0.344 -5.153 219 HG2 LYS 36 1HG LYS 36 18.553 1.846 -6.007 220 HG3 LYS 36 2HG LYS 36 20.048 2.082 -5.097 221 HD2 LYS 36 1HD LYS 36 21.074 0.246 -6.427 222 HD3 LYS 36 2HD LYS 36 19.602 0.183 -7.399 223 HE2 LYS 36 1HE LYS 36 19.979 2.647 -7.866 224 HE3 LYS 36 2HE LYS 36 21.580 2.438 -7.159 225 HZ1 LYS 36 3HZ LYS 36 20.509 1.001 -9.527 226 HZ2 LYS 36 1HZ LYS 36 22.021 0.717 -8.825 227 HZ3 LYS 36 2HZ LYS 36 21.689 2.213 -9.540 228 H ILE 37 H ILE 37 16.325 -0.422 -3.900 229 HA ILE 37 HA ILE 37 16.544 -2.288 -1.630 230 HB ILE 37 HB ILE 37 14.053 -0.954 -2.690 231 HG12 ILE 37 1HG1 ILE 37 15.429 -0.887 0.003 232 HG13 ILE 37 2HG1 ILE 37 15.326 0.437 -1.152 233 HG21 ILE 37 1HG2 ILE 37 13.425 -2.427 -0.401 234 HG22 ILE 37 2HG2 ILE 37 12.924 -2.759 -2.058 235 HG23 ILE 37 3HG2 ILE 37 14.383 -3.509 -1.412 236 HD11 ILE 37 3HD1 ILE 37 13.558 1.111 0.002 237 HD12 ILE 37 1HD1 ILE 37 12.694 -0.243 -0.726 238 HD13 ILE 37 2HD1 ILE 37 13.436 -0.422 0.865 239 H ILE 38 H ILE 38 16.182 -4.405 -2.039 240 HA ILE 38 HA ILE 38 15.327 -5.126 -4.766 241 HB ILE 38 HB ILE 38 16.804 -7.067 -4.677 242 HG12 ILE 38 1HG1 ILE 38 17.919 -5.922 -2.113 243 HG13 ILE 38 2HG1 ILE 38 16.748 -7.236 -2.154 244 HG21 ILE 38 1HG2 ILE 38 17.604 -4.914 -5.604 245 HG22 ILE 38 2HG2 ILE 38 18.321 -4.542 -4.037 246 HG23 ILE 38 3HG2 ILE 38 18.904 -5.922 -4.968 247 HD11 ILE 38 3HD1 ILE 38 19.475 -7.303 -3.424 248 HD12 ILE 38 1HD1 ILE 38 19.047 -8.028 -1.874 249 HD13 ILE 38 2HD1 ILE 38 18.312 -8.628 -3.361 250 H SER 39 H SER 39 13.600 -4.849 -2.516 251 HA SER 39 HA SER 39 12.376 -7.456 -2.567 252 HB2 SER 39 1HB SER 39 13.737 -6.417 -0.121 253 HB3 SER 39 2HB SER 39 12.212 -7.279 0.079 254 HG SER 39 HG SER 39 14.690 -8.209 -0.797 255 H TYR 40 H TYR 40 10.202 -7.332 -2.345 256 HA TYR 40 HA TYR 40 8.983 -4.989 -1.129 257 HB2 TYR 40 1HB TYR 40 8.507 -5.729 -4.024 258 HB3 TYR 40 2HB TYR 40 7.585 -4.531 -3.121 259 HD1 TYR 40 2HD TYR 40 10.811 -5.279 -4.700 260 HD2 TYR 40 1HD TYR 40 8.518 -2.358 -2.623 261 HE1 TYR 40 2HE TYR 40 12.442 -3.552 -5.339 262 HE2 TYR 40 1HE TYR 40 10.142 -0.623 -3.257 263 HH TYR 40 HH TYR 40 12.926 -1.381 -5.324 264 H LEU 41 H LEU 41 7.195 -5.532 -0.055 265 HA LEU 41 HA LEU 41 5.609 -7.825 -0.919 266 HB2 LEU 41 1HB LEU 41 7.243 -8.726 0.661 267 HB3 LEU 41 2HB LEU 41 6.737 -7.541 1.863 268 HG LEU 41 HG LEU 41 4.538 -8.598 1.988 269 HD11 LEU 41 1HD1 LEU 41 5.600 -10.125 -0.311 270 HD12 LEU 41 2HD1 LEU 41 3.956 -9.590 0.039 271 HD13 LEU 41 3HD1 LEU 41 4.613 -11.010 0.852 272 HD21 LEU 41 3HD2 LEU 41 5.194 -10.299 3.372 273 HD22 LEU 41 1HD2 LEU 41 6.712 -9.413 3.226 274 HD23 LEU 41 2HD2 LEU 41 6.445 -10.868 2.265 275 H TRP 42 H TRP 42 3.533 -7.294 -0.894 276 HA TRP 42 HA TRP 42 2.648 -5.185 0.965 277 HB2 TRP 42 1HB TRP 42 1.864 -5.755 -1.883 278 HB3 TRP 42 2HB TRP 42 0.804 -4.843 -0.812 279 HD1 TRP 42 HD TRP 42 3.956 -4.521 -2.873 280 HE1 TRP 42 1HE TRP 42 4.770 -2.080 -2.806 281 HE3 TRP 42 3HE TRP 42 0.857 -2.731 0.779 282 HZ2 TRP 42 2HZ TRP 42 4.177 0.290 -1.392 283 HZ3 TRP 42 3HZ TRP 42 1.045 -0.366 1.430 284 HH2 TRP 42 HH TRP 42 2.671 1.112 0.366 285 H GLU 43 H GLU 43 1.311 -5.875 2.489 286 HA GLU 43 HA GLU 43 -0.706 -7.883 1.842 287 HB2 GLU 43 1HB GLU 43 1.140 -8.149 4.221 288 HB3 GLU 43 2HB GLU 43 -0.201 -9.215 3.826 289 HG2 GLU 43 1HG GLU 43 0.986 -9.739 1.676 290 HG3 GLU 43 2HG GLU 43 2.374 -8.863 2.319 291 H LYS 44 H LYS 44 -2.511 -7.878 3.242 292 HA LYS 44 HA LYS 44 -2.904 -5.320 4.581 293 HB2 LYS 44 1HB LYS 44 -4.651 -5.953 3.066 294 HB3 LYS 44 2HB LYS 44 -4.799 -7.540 3.809 295 HG2 LYS 44 1HG LYS 44 -5.656 -6.527 5.846 296 HG3 LYS 44 2HG LYS 44 -5.468 -4.921 5.138 297 HD2 LYS 44 1HD LYS 44 -7.752 -5.495 4.887 298 HD3 LYS 44 2HD LYS 44 -7.016 -5.690 3.294 299 HE2 LYS 44 1HE LYS 44 -6.668 -8.166 4.182 300 HE3 LYS 44 2HE LYS 44 -8.056 -7.737 5.180 301 HZ1 LYS 44 3HZ LYS 44 -8.643 -8.790 3.035 302 HZ2 LYS 44 1HZ LYS 44 -7.987 -7.455 2.227 303 HZ3 LYS 44 2HZ LYS 44 -9.329 -7.257 3.237 304 H THR 45 H THR 45 -2.279 -5.226 6.638 305 HA THR 45 HA THR 45 -2.138 -7.528 8.332 306 HB THR 45 HB THR 45 -1.838 -5.564 10.108 307 HG1 THR 45 1HG THR 45 -0.880 -3.754 8.992 308 HG21 THR 45 3HG2 THR 45 -0.112 -7.171 9.499 309 HG22 THR 45 1HG2 THR 45 0.563 -5.543 9.560 310 HG23 THR 45 2HG2 THR 45 0.204 -6.291 8.004 311 H GLN 46 H GLN 46 -4.160 -4.593 8.339 312 HA GLN 46 HA GLN 46 -6.117 -6.068 9.975 313 HB2 GLN 46 1HB GLN 46 -5.092 -3.284 10.169 314 HB3 GLN 46 2HB GLN 46 -6.798 -3.540 10.515 315 HG2 GLN 46 1HG GLN 46 -6.323 -4.979 12.315 316 HG3 GLN 46 2HG GLN 46 -4.634 -5.140 11.840 317 HE21 GLN 46 1HE2 GLN 46 -6.783 -3.568 13.845 318 HE22 GLN 46 2HE2 GLN 46 -5.760 -2.281 14.376 319 H GLY 47 H GLY 47 -8.346 -4.765 9.807 320 HA2 GLY 47 1HA GLY 47 -9.919 -3.711 8.372 321 HA3 GLY 47 2HA GLY 47 -8.836 -4.001 7.018 322 HA PRO 48 HA PRO 48 -12.298 -7.231 7.306 323 HB2 PRO 48 1HB PRO 48 -13.716 -6.434 5.133 324 HB3 PRO 48 2HB PRO 48 -14.031 -5.824 6.762 325 HG2 PRO 48 1HG PRO 48 -12.481 -4.562 4.534 326 HG3 PRO 48 2HG PRO 48 -13.645 -3.820 5.647 327 HD2 PRO 48 1HD PRO 48 -10.968 -3.590 5.974 328 HD3 PRO 48 2HD PRO 48 -12.096 -3.635 7.344 329 H ASP 49 H ASP 49 -12.152 -9.103 6.173 330 HA ASP 49 HA ASP 49 -10.107 -9.286 4.143 331 HB2 ASP 49 1HB ASP 49 -10.506 -10.984 6.004 332 HB3 ASP 49 2HB ASP 49 -11.909 -11.515 5.082 333 H GLY 50 H GLY 50 -10.468 -9.046 2.044 334 HA2 GLY 50 1HA GLY 50 -12.399 -10.343 0.545 335 HA3 GLY 50 2HA GLY 50 -13.090 -8.784 0.969 336 H VAL 51 H VAL 51 -11.038 -7.058 0.783 337 HA VAL 51 HA VAL 51 -10.870 -6.336 -1.825 338 HB VAL 51 HB VAL 51 -8.920 -5.006 -1.308 339 HG11 VAL 51 1HG1 VAL 51 -11.044 -4.246 -0.397 340 HG12 VAL 51 2HG1 VAL 51 -10.774 -5.198 1.064 341 HG13 VAL 51 3HG1 VAL 51 -9.720 -3.833 0.692 342 HG21 VAL 51 3HG2 VAL 51 -8.439 -5.792 1.410 343 HG22 VAL 51 1HG2 VAL 51 -8.223 -7.172 0.332 344 HG23 VAL 51 2HG2 VAL 51 -7.307 -5.689 0.061 345 H GLN 52 H GLN 52 -9.188 -6.437 -3.435 346 HA GLN 52 HA GLN 52 -7.658 -8.953 -3.324 347 HB2 GLN 52 1HB GLN 52 -9.300 -7.723 -5.476 348 HB3 GLN 52 2HB GLN 52 -7.834 -8.566 -5.962 349 HG2 GLN 52 1HG GLN 52 -9.926 -9.817 -4.208 350 HG3 GLN 52 2HG GLN 52 -9.960 -9.916 -5.968 351 HE21 GLN 52 1HE2 GLN 52 -9.427 -11.926 -6.464 352 HE22 GLN 52 2HE2 GLN 52 -8.052 -12.783 -5.866 353 H LEU 53 H LEU 53 -5.534 -8.694 -3.288 354 HA LEU 53 HA LEU 53 -4.393 -6.138 -4.139 355 HB2 LEU 53 1HB LEU 53 -3.575 -8.305 -2.287 356 HB3 LEU 53 2HB LEU 53 -2.294 -7.402 -3.094 357 HG LEU 53 HG LEU 53 -4.427 -5.878 -1.679 358 HD11 LEU 53 1HD1 LEU 53 -3.507 -7.852 -0.249 359 HD12 LEU 53 2HD1 LEU 53 -3.610 -6.233 0.443 360 HD13 LEU 53 3HD1 LEU 53 -2.062 -6.847 -0.137 361 HD21 LEU 53 3HD2 LEU 53 -2.641 -4.786 -3.014 362 HD22 LEU 53 1HD2 LEU 53 -1.448 -5.473 -1.911 363 HD23 LEU 53 2HD2 LEU 53 -2.638 -4.316 -1.313 364 H GLU 54 H GLU 54 -3.135 -5.922 -5.889 365 HA GLU 54 HA GLU 54 -2.335 -8.377 -7.311 366 HB2 GLU 54 1HB GLU 54 -3.525 -5.823 -8.301 367 HB3 GLU 54 2HB GLU 54 -2.396 -6.682 -9.340 368 HG2 GLU 54 1HG GLU 54 -4.373 -7.573 -10.040 369 HG3 GLU 54 2HG GLU 54 -3.923 -8.734 -8.793 370 H ASN 55 H ASN 55 -0.266 -8.542 -8.021 371 HA ASN 55 HA ASN 55 1.962 -8.127 -8.201 372 HB2 ASN 55 1HB ASN 55 0.752 -5.440 -8.680 373 HB3 ASN 55 2HB ASN 55 2.494 -5.535 -8.434 374 HD21 ASN 55 1HD2 ASN 55 -0.170 -6.443 -10.476 375 HD22 ASN 55 2HD2 ASN 55 0.777 -6.899 -11.848 376 H ALA 56 H ALA 56 0.789 -8.344 -5.598 377 HA ALA 56 HA ALA 56 1.592 -6.451 -3.742 378 HB1 ALA 56 3HB ALA 56 1.600 -9.435 -3.319 379 HB2 ALA 56 1HB ALA 56 1.451 -8.186 -2.083 380 HB3 ALA 56 2HB ALA 56 0.161 -8.418 -3.263 381 H ASN 57 H ASN 57 3.479 -8.841 -5.443 382 HA ASN 57 HA ASN 57 5.808 -8.440 -3.758 383 HB2 ASN 57 1HB ASN 57 5.116 -10.653 -4.887 384 HB3 ASN 57 2HB ASN 57 5.772 -9.951 -6.363 385 HD21 ASN 57 1HD2 ASN 57 6.458 -11.760 -3.667 386 HD22 ASN 57 2HD2 ASN 57 8.182 -11.659 -3.703 387 H SER 58 H SER 58 4.777 -6.130 -5.125 388 HA SER 58 HA SER 58 7.190 -5.406 -6.617 389 HB2 SER 58 1HB SER 58 4.355 -5.089 -7.606 390 HB3 SER 58 2HB SER 58 5.692 -4.134 -8.246 391 HG SER 58 HG SER 58 5.998 -6.907 -8.119 392 H SER 59 H SER 59 7.619 -3.140 -6.674 393 HA SER 59 HA SER 59 7.214 -1.799 -4.287 394 HB2 SER 59 1HB SER 59 7.649 -0.327 -6.878 395 HB3 SER 59 2HB SER 59 8.274 0.060 -5.275 396 HG SER 59 HG SER 59 9.672 -1.062 -6.981 397 H VAL 60 H VAL 60 5.263 -1.822 -7.189 398 HA VAL 60 HA VAL 60 3.375 0.040 -5.901 399 HB VAL 60 HB VAL 60 3.602 -0.574 -8.849 400 HG11 VAL 60 1HG1 VAL 60 1.427 0.339 -7.528 401 HG12 VAL 60 2HG1 VAL 60 2.241 1.858 -7.908 402 HG13 VAL 60 3HG1 VAL 60 1.808 0.741 -9.202 403 HG21 VAL 60 3HG2 VAL 60 4.349 2.042 -7.602 404 HG22 VAL 60 1HG2 VAL 60 5.516 0.721 -7.672 405 HG23 VAL 60 2HG2 VAL 60 4.827 1.369 -9.161 406 H ALA 61 H ALA 61 1.795 -1.071 -4.951 407 HA ALA 61 HA ALA 61 0.754 -3.478 -6.286 408 HB1 ALA 61 3HB ALA 61 -0.346 -3.697 -3.886 409 HB2 ALA 61 1HB ALA 61 1.298 -4.246 -4.212 410 HB3 ALA 61 2HB ALA 61 1.026 -2.683 -3.439 411 H THR 62 H THR 62 -1.554 -3.835 -6.259 412 HA THR 62 HA THR 62 -3.132 -1.355 -6.076 413 HB THR 62 HB THR 62 -3.337 -3.465 -8.233 414 HG1 THR 62 1HG THR 62 -1.636 -1.878 -8.458 415 HG21 THR 62 3HG2 THR 62 -5.541 -2.577 -7.520 416 HG22 THR 62 1HG2 THR 62 -5.125 -2.133 -9.175 417 HG23 THR 62 2HG2 THR 62 -4.968 -0.948 -7.878 418 H VAL 63 H VAL 63 -4.989 -1.503 -4.970 419 HA VAL 63 HA VAL 63 -5.931 -4.197 -4.225 420 HB VAL 63 HB VAL 63 -6.156 -1.666 -2.590 421 HG11 VAL 63 1HG1 VAL 63 -7.419 -2.786 -1.082 422 HG12 VAL 63 2HG1 VAL 63 -7.871 -3.724 -2.508 423 HG13 VAL 63 3HG1 VAL 63 -6.633 -4.331 -1.407 424 HG21 VAL 63 3HG2 VAL 63 -4.651 -3.877 -1.449 425 HG22 VAL 63 1HG2 VAL 63 -3.928 -3.255 -2.932 426 HG23 VAL 63 2HG2 VAL 63 -4.230 -2.169 -1.575 427 H THR 64 H THR 64 -7.779 -4.679 -5.193 428 HA THR 64 HA THR 64 -9.673 -2.509 -5.805 429 HB THR 64 HB THR 64 -10.615 -3.928 -7.524 430 HG1 THR 64 1HG THR 64 -10.109 -5.937 -6.328 431 HG21 THR 64 3HG2 THR 64 -8.422 -2.610 -7.878 432 HG22 THR 64 1HG2 THR 64 -8.886 -3.806 -9.087 433 HG23 THR 64 2HG2 THR 64 -7.649 -4.195 -7.891 434 H GLY 65 H GLY 65 -11.981 -3.030 -5.640 435 HA2 GLY 65 1HA GLY 65 -13.828 -3.953 -4.603 436 HA3 GLY 65 2HA GLY 65 -12.816 -5.293 -4.086 437 H LEU 66 H LEU 66 -12.497 -1.818 -3.436 438 HA LEU 66 HA LEU 66 -12.235 -2.411 -0.599 439 HB2 LEU 66 1HB LEU 66 -11.785 0.042 -2.268 440 HB3 LEU 66 2HB LEU 66 -11.788 0.107 -0.507 441 HG LEU 66 HG LEU 66 -9.975 -1.832 -1.864 442 HD11 LEU 66 1HD1 LEU 66 -9.925 0.993 -2.349 443 HD12 LEU 66 2HD1 LEU 66 -8.867 -0.269 -2.978 444 HD13 LEU 66 3HD1 LEU 66 -8.494 0.509 -1.440 445 HD21 LEU 66 3HD2 LEU 66 -9.756 -0.129 0.617 446 HD22 LEU 66 1HD2 LEU 66 -8.567 -1.311 0.069 447 HD23 LEU 66 2HD2 LEU 66 -10.174 -1.842 0.563 448 H GLN 67 H GLN 67 -13.569 -1.616 1.005 449 HA GLN 67 HA GLN 67 -16.048 -0.301 0.122 450 HB2 GLN 67 1HB GLN 67 -15.800 -2.569 2.104 451 HB3 GLN 67 2HB GLN 67 -17.274 -1.655 1.812 452 HG2 GLN 67 1HG GLN 67 -17.124 -2.385 -0.587 453 HG3 GLN 67 2HG GLN 67 -15.829 -3.474 -0.092 454 HE21 GLN 67 1HE2 GLN 67 -17.466 -4.993 -1.051 455 HE22 GLN 67 2HE2 GLN 67 -18.633 -5.668 0.029 456 H VAL 68 H VAL 68 -17.265 0.659 2.020 457 HA VAL 68 HA VAL 68 -15.720 2.584 3.288 458 HB VAL 68 HB VAL 68 -18.391 1.524 4.222 459 HG11 VAL 68 1HG1 VAL 68 -18.577 3.307 5.617 460 HG12 VAL 68 2HG1 VAL 68 -16.820 3.144 5.640 461 HG13 VAL 68 3HG1 VAL 68 -17.581 4.348 4.599 462 HG21 VAL 68 3HG2 VAL 68 -19.190 3.600 2.932 463 HG22 VAL 68 1HG2 VAL 68 -17.626 3.522 2.121 464 HG23 VAL 68 2HG2 VAL 68 -18.747 2.166 2.006 465 H GLY 69 H GLY 69 -13.962 1.792 4.398 466 HA2 GLY 69 1HA GLY 69 -14.378 1.025 7.096 467 HA3 GLY 69 2HA GLY 69 -13.897 -0.371 6.143 468 H THR 70 H THR 70 -12.062 -0.316 7.685 469 HA THR 70 HA THR 70 -9.991 1.586 6.798 470 HB THR 70 HB THR 70 -9.994 0.148 9.450 471 HG1 THR 70 1HG THR 70 -10.575 2.474 10.100 472 HG21 THR 70 3HG2 THR 70 -8.228 1.537 10.043 473 HG22 THR 70 1HG2 THR 70 -8.615 2.728 8.803 474 HG23 THR 70 2HG2 THR 70 -7.883 1.189 8.349 475 H TYR 71 H TYR 71 -8.467 0.689 5.591 476 HA TYR 71 HA TYR 71 -7.829 -2.157 6.012 477 HB2 TYR 71 1HB TYR 71 -7.658 -0.512 3.479 478 HB3 TYR 71 2HB TYR 71 -7.095 -2.173 3.633 479 HD1 TYR 71 1HD TYR 71 -10.075 -0.004 3.597 480 HD2 TYR 71 2HD TYR 71 -8.633 -4.007 3.607 481 HE1 TYR 71 1HE TYR 71 -12.327 -0.811 3.026 482 HE2 TYR 71 2HE TYR 71 -10.881 -4.824 3.035 483 HH TYR 71 HH TYR 71 -12.945 -3.904 1.916 484 H VAL 72 H VAL 72 -5.919 -2.495 6.910 485 HA VAL 72 HA VAL 72 -3.824 -0.453 6.617 486 HB VAL 72 HB VAL 72 -3.804 -2.700 8.620 487 HG11 VAL 72 1HG1 VAL 72 -1.686 -1.760 8.534 488 HG12 VAL 72 2HG1 VAL 72 -2.309 -0.133 8.251 489 HG13 VAL 72 3HG1 VAL 72 -2.451 -0.868 9.848 490 HG21 VAL 72 3HG2 VAL 72 -4.665 -0.976 10.244 491 HG22 VAL 72 1HG2 VAL 72 -5.100 0.007 8.846 492 HG23 VAL 72 2HG2 VAL 72 -5.845 -1.574 9.077 493 H PHE 73 H PHE 73 -2.379 -0.886 5.093 494 HA PHE 73 HA PHE 73 -1.656 -3.693 4.585 495 HB2 PHE 73 1HB PHE 73 -1.308 -1.308 2.756 496 HB3 PHE 73 2HB PHE 73 -0.968 -2.988 2.355 497 HD1 PHE 73 1HD PHE 73 -2.827 -4.601 2.124 498 HD2 PHE 73 2HD PHE 73 -3.506 -0.434 2.661 499 HE1 PHE 73 1HE PHE 73 -5.138 -4.878 1.326 500 HE2 PHE 73 2HE PHE 73 -5.818 -0.704 1.864 501 HZ PHE 73 HZ PHE 73 -6.637 -2.929 1.196 502 H THR 74 H THR 74 0.249 -4.319 5.327 503 HA THR 74 HA THR 74 2.243 -2.327 6.069 504 HB THR 74 HB THR 74 2.410 -5.310 6.501 505 HG1 THR 74 1HG THR 74 0.505 -4.097 7.450 506 HG21 THR 74 3HG2 THR 74 3.601 -3.268 8.311 507 HG22 THR 74 1HG2 THR 74 4.391 -3.571 6.764 508 HG23 THR 74 2HG2 THR 74 4.166 -4.890 7.912 509 H LEU 75 H LEU 75 4.119 -2.004 5.025 510 HA LEU 75 HA LEU 75 4.676 -3.703 2.689 511 HB2 LEU 75 1HB LEU 75 4.284 -1.471 2.006 512 HB3 LEU 75 2HB LEU 75 5.308 -0.826 3.287 513 HG LEU 75 HG LEU 75 7.285 -1.742 2.143 514 HD11 LEU 75 1HD1 LEU 75 5.866 -2.218 -0.376 515 HD12 LEU 75 2HD1 LEU 75 5.553 -3.412 0.883 516 HD13 LEU 75 3HD1 LEU 75 7.207 -3.096 0.360 517 HD21 LEU 75 3HD2 LEU 75 7.225 0.385 1.438 518 HD22 LEU 75 1HD2 LEU 75 5.506 0.312 1.052 519 HD23 LEU 75 2HD2 LEU 75 6.694 -0.305 -0.096 520 H THR 76 H THR 76 6.110 -5.220 3.247 521 HA THR 76 HA THR 76 8.356 -4.491 4.990 522 HB THR 76 HB THR 76 7.361 -7.216 4.134 523 HG1 THR 76 1HG THR 76 6.061 -6.103 5.701 524 HG21 THR 76 3HG2 THR 76 9.598 -7.634 4.491 525 HG22 THR 76 1HG2 THR 76 8.961 -7.835 6.123 526 HG23 THR 76 2HG2 THR 76 9.764 -6.332 5.669 527 H VAL 77 H VAL 77 10.113 -3.824 3.949 528 HA VAL 77 HA VAL 77 10.887 -5.225 1.472 529 HB VAL 77 HB VAL 77 11.885 -3.200 0.633 530 HG11 VAL 77 1HG1 VAL 77 9.468 -1.828 1.285 531 HG12 VAL 77 2HG1 VAL 77 9.913 -2.638 -0.218 532 HG13 VAL 77 3HG1 VAL 77 9.118 -3.543 1.071 533 HG21 VAL 77 3HG2 VAL 77 11.457 -2.277 3.397 534 HG22 VAL 77 1HG2 VAL 77 12.728 -1.868 2.245 535 HG23 VAL 77 2HG2 VAL 77 11.154 -1.080 2.138 536 H LYS 78 H LYS 78 13.312 -4.870 1.013 537 HA LYS 78 HA LYS 78 14.915 -4.819 3.456 538 HB2 LYS 78 1HB LYS 78 14.505 -7.173 1.683 539 HB3 LYS 78 2HB LYS 78 16.131 -6.892 2.292 540 HG2 LYS 78 1HG LYS 78 15.446 -7.126 4.531 541 HG3 LYS 78 2HG LYS 78 13.738 -7.005 4.101 542 HD2 LYS 78 1HD LYS 78 13.860 -9.139 2.939 543 HD3 LYS 78 2HD LYS 78 15.586 -9.251 3.292 544 HE2 LYS 78 1HE LYS 78 15.135 -9.378 5.659 545 HE3 LYS 78 2HE LYS 78 13.414 -9.111 5.381 546 HZ1 LYS 78 3HZ LYS 78 14.043 -11.468 5.766 547 HZ2 LYS 78 1HZ LYS 78 14.910 -11.440 4.313 548 HZ3 LYS 78 2HZ LYS 78 13.235 -11.207 4.303 549 H ASP 79 H ASP 79 17.106 -4.326 3.129 550 HA ASP 79 HA ASP 79 17.694 -3.227 0.461 551 HB2 ASP 79 1HB ASP 79 18.766 -2.441 3.178 552 HB3 ASP 79 2HB ASP 79 19.335 -1.769 1.652 553 H GLU 80 H GLU 80 20.210 -3.044 0.162 554 HA GLU 80 HA GLU 80 21.227 -5.544 -0.332 555 HB2 GLU 80 1HB GLU 80 22.109 -3.317 -1.157 556 HB3 GLU 80 2HB GLU 80 22.950 -3.170 0.379 557 HG2 GLU 80 1HG GLU 80 23.959 -5.467 -0.209 558 HG3 GLU 80 2HG GLU 80 23.422 -5.106 -1.849 559 H ARG 81 H ARG 81 21.322 -3.717 2.642 560 HA ARG 81 HA ARG 81 23.150 -5.599 3.898 561 HB2 ARG 81 1HB ARG 81 21.794 -3.084 4.866 562 HB3 ARG 81 2HB ARG 81 22.748 -4.115 5.923 563 HG2 ARG 81 1HG ARG 81 24.726 -3.518 4.955 564 HG3 ARG 81 2HG ARG 81 23.983 -3.170 3.393 565 HD2 ARG 81 1HD ARG 81 23.032 -1.125 4.258 566 HD3 ARG 81 2HD ARG 81 23.633 -1.494 5.874 567 HE ARG 81 HE ARG 81 25.807 -1.450 4.118 568 HH11 ARG 81 2HH1 ARG 81 23.452 0.728 5.470 569 HH12 ARG 81 1HH1 ARG 81 24.494 2.111 5.392 570 HH21 ARG 81 2HH2 ARG 81 27.188 0.363 4.009 571 HH22 ARG 81 1HH2 ARG 81 26.618 1.902 4.560 572 H ASN 82 H ASN 82 20.578 -6.566 2.977 573 HA ASN 82 HA ASN 82 18.671 -7.635 3.697 574 HB2 ASN 82 1HB ASN 82 20.419 -8.636 5.933 575 HB3 ASN 82 2HB ASN 82 19.177 -9.505 5.035 576 HD21 ASN 82 1HD2 ASN 82 19.675 -9.506 2.572 577 HD22 ASN 82 2HD2 ASN 82 21.286 -9.978 2.162 578 H LEU 83 H LEU 83 18.845 -4.981 4.735 579 HA LEU 83 HA LEU 83 18.197 -4.994 7.522 580 HB2 LEU 83 1HB LEU 83 18.218 -2.965 5.342 581 HB3 LEU 83 2HB LEU 83 17.329 -2.610 6.822 582 HG LEU 83 HG LEU 83 20.257 -3.326 6.748 583 HD11 LEU 83 1HD1 LEU 83 19.391 -1.109 5.614 584 HD12 LEU 83 2HD1 LEU 83 20.834 -1.122 6.626 585 HD13 LEU 83 3HD1 LEU 83 19.298 -0.566 7.289 586 HD21 LEU 83 3HD2 LEU 83 19.610 -3.751 8.904 587 HD22 LEU 83 1HD2 LEU 83 18.311 -2.558 8.868 588 HD23 LEU 83 2HD2 LEU 83 19.987 -2.031 9.018 589 H GLN 84 H GLN 84 16.335 -5.629 8.365 590 HA GLN 84 HA GLN 84 13.984 -5.896 6.684 591 HB2 GLN 84 1HB GLN 84 14.878 -7.548 8.522 592 HB3 GLN 84 2HB GLN 84 13.988 -6.497 9.615 593 HG2 GLN 84 1HG GLN 84 12.069 -6.892 7.833 594 HG3 GLN 84 2HG GLN 84 12.993 -8.365 7.544 595 HE21 GLN 84 1HE2 GLN 84 10.886 -6.691 9.664 596 HE22 GLN 84 2HE2 GLN 84 10.713 -7.941 10.843 597 H SER 85 H SER 85 12.640 -4.249 6.432 598 HA SER 85 HA SER 85 12.114 -2.496 8.739 599 HB2 SER 85 1HB SER 85 13.544 -1.527 6.785 600 HB3 SER 85 2HB SER 85 12.007 -1.450 5.925 601 HG SER 85 HG SER 85 11.272 0.024 7.331 602 H GLN 86 H GLN 86 10.013 -1.442 8.704 603 HA GLN 86 HA GLN 86 8.016 -2.737 6.994 604 HB2 GLN 86 1HB GLN 86 8.236 -3.852 9.293 605 HB3 GLN 86 2HB GLN 86 7.541 -2.373 9.945 606 HG2 GLN 86 1HG GLN 86 5.549 -2.699 8.576 607 HG3 GLN 86 2HG GLN 86 6.246 -4.175 7.911 608 HE21 GLN 86 1HE2 GLN 86 6.436 -6.000 9.229 609 HE22 GLN 86 2HE2 GLN 86 5.525 -6.167 10.687 610 H SER 87 H SER 87 6.136 -1.530 6.629 611 HA SER 87 HA SER 87 5.741 1.021 7.893 612 HB2 SER 87 1HB SER 87 7.568 1.302 6.059 613 HB3 SER 87 2HB SER 87 6.222 1.154 4.929 614 HG SER 87 HG SER 87 6.677 3.338 5.527 615 H SER 88 H SER 88 3.624 0.916 8.224 616 HA SER 88 HA SER 88 1.903 -0.265 6.165 617 HB2 SER 88 1HB SER 88 0.167 -0.235 7.994 618 HB3 SER 88 2HB SER 88 1.571 -1.248 8.330 619 HG SER 88 HG SER 88 0.811 0.243 10.050 620 H VAL 89 H VAL 89 -0.271 0.779 5.890 621 HA VAL 89 HA VAL 89 -0.226 3.686 6.240 622 HB VAL 89 HB VAL 89 0.677 3.340 4.007 623 HG11 VAL 89 1HG1 VAL 89 -0.654 1.081 3.836 624 HG12 VAL 89 2HG1 VAL 89 -1.862 2.105 3.057 625 HG13 VAL 89 3HG1 VAL 89 -0.233 1.996 2.389 626 HG21 VAL 89 3HG2 VAL 89 -2.032 4.521 4.356 627 HG22 VAL 89 1HG2 VAL 89 -0.498 5.302 3.970 628 HG23 VAL 89 2HG2 VAL 89 -1.371 4.408 2.725 629 H ASN 90 H ASN 90 -2.172 4.534 6.721 630 HA ASN 90 HA ASN 90 -4.385 2.719 7.104 631 HB2 ASN 90 1HB ASN 90 -3.782 5.545 7.864 632 HB3 ASN 90 2HB ASN 90 -5.463 5.021 7.849 633 HD21 ASN 90 1HD2 ASN 90 -4.733 5.770 10.189 634 HD22 ASN 90 2HD2 ASN 90 -4.354 4.457 11.246 635 H VAL 91 H VAL 91 -5.789 2.272 5.551 636 HA VAL 91 HA VAL 91 -6.272 4.274 3.450 637 HB VAL 91 HB VAL 91 -6.826 1.305 3.369 638 HG11 VAL 91 1HG1 VAL 91 -7.389 1.584 1.089 639 HG12 VAL 91 2HG1 VAL 91 -8.277 2.830 1.968 640 HG13 VAL 91 3HG1 VAL 91 -6.814 3.251 1.075 641 HG21 VAL 91 3HG2 VAL 91 -4.480 2.947 2.561 642 HG22 VAL 91 1HG2 VAL 91 -4.542 1.324 3.248 643 HG23 VAL 91 2HG2 VAL 91 -4.935 1.578 1.548 644 H ILE 92 H ILE 92 -7.966 5.484 4.085 645 HA ILE 92 HA ILE 92 -10.296 4.180 5.280 646 HB ILE 92 HB ILE 92 -9.711 7.122 4.918 647 HG12 ILE 92 1HG1 ILE 92 -9.796 5.745 7.570 648 HG13 ILE 92 2HG1 ILE 92 -8.350 5.576 6.580 649 HG21 ILE 92 1HG2 ILE 92 -11.580 7.390 6.558 650 HG22 ILE 92 2HG2 ILE 92 -12.073 6.791 4.975 651 HG23 ILE 92 3HG2 ILE 92 -11.941 5.679 6.336 652 HD11 ILE 92 3HD1 ILE 92 -8.173 7.393 8.210 653 HD12 ILE 92 1HD1 ILE 92 -8.056 7.973 6.548 654 HD13 ILE 92 2HD1 ILE 92 -9.553 8.190 7.455 655 H VAL 93 H VAL 93 -12.303 4.162 4.354 656 HA VAL 93 HA VAL 93 -12.495 5.212 1.605 657 HB VAL 93 HB VAL 93 -13.767 2.689 2.678 658 HG11 VAL 93 1HG1 VAL 93 -15.067 4.006 0.958 659 HG12 VAL 93 2HG1 VAL 93 -13.746 3.674 -0.165 660 HG13 VAL 93 3HG1 VAL 93 -14.677 2.343 0.521 661 HG21 VAL 93 3HG2 VAL 93 -11.163 3.096 1.773 662 HG22 VAL 93 1HG2 VAL 93 -11.991 1.551 1.969 663 HG23 VAL 93 2HG2 VAL 93 -12.012 2.372 0.408 664 H LYS 94 H LYS 94 -13.847 6.876 1.573 665 HA LYS 94 HA LYS 94 -16.031 7.026 3.503 666 HB2 LYS 94 1HB LYS 94 -14.666 8.980 1.697 667 HB3 LYS 94 2HB LYS 94 -16.300 9.329 2.247 668 HG2 LYS 94 1HG LYS 94 -15.114 10.369 3.882 669 HG3 LYS 94 2HG LYS 94 -15.255 8.763 4.602 670 HD2 LYS 94 1HD LYS 94 -13.034 8.202 3.618 671 HD3 LYS 94 2HD LYS 94 -12.896 9.881 3.089 672 HE2 LYS 94 1HE LYS 94 -13.413 9.171 5.960 673 HE3 LYS 94 2HE LYS 94 -11.778 9.212 5.301 674 HZ1 LYS 94 3HZ LYS 94 -11.762 11.426 5.319 675 HZ2 LYS 94 1HZ LYS 94 -13.119 11.333 6.325 676 HZ3 LYS 94 2HZ LYS 94 -13.315 11.549 4.659 677 H GLU 95 H GLU 95 -18.148 7.930 2.648 678 HA GLU 95 HA GLU 95 -19.019 6.224 0.468 679 HB2 GLU 95 1HB GLU 95 -20.416 7.891 2.533 680 HB3 GLU 95 2HB GLU 95 -21.293 7.324 1.119 681 HG2 GLU 95 1HG GLU 95 -20.685 5.011 1.704 682 HG3 GLU 95 2HG GLU 95 -19.889 5.611 3.157 683 H GLU 96 H GLU 96 -20.121 6.963 -1.385 684 HA GLU 96 HA GLU 96 -19.011 9.239 -2.608 685 HB2 GLU 96 1HB GLU 96 -19.880 7.264 -3.835 686 HB3 GLU 96 2HB GLU 96 -21.515 7.742 -3.400 687 HG2 GLU 96 1HG GLU 96 -19.797 9.714 -4.806 688 HG3 GLU 96 2HG GLU 96 -20.465 8.367 -5.727 689 H SER 97 H SER 97 -19.372 11.216 -1.804 690 HA SER 97 HA SER 97 -21.371 12.212 -0.302 691 HB2 SER 97 1HB SER 97 -19.922 13.593 -2.567 692 HB3 SER 97 2HB SER 97 -20.957 14.442 -1.419 693 HG SER 97 HG SER 97 -18.694 14.423 -0.856 694 H GLY 98 H GLY 98 -23.384 13.177 -0.584 695 HA2 GLY 98 1HA GLY 98 -25.199 13.953 -1.939 696 HA3 GLY 98 2HA GLY 98 -24.611 12.936 -3.246 697 HA PRO 99 HA PRO 99 -27.888 10.836 -0.408 698 HB2 PRO 99 1HB PRO 99 -30.196 11.591 -1.622 699 HB3 PRO 99 2HB PRO 99 -29.485 12.482 -0.271 700 HG2 PRO 99 1HG PRO 99 -29.335 13.054 -3.206 701 HG3 PRO 99 2HG PRO 99 -29.600 14.177 -1.859 702 HD2 PRO 99 1HD PRO 99 -27.190 13.883 -3.059 703 HD3 PRO 99 2HD PRO 99 -27.358 14.276 -1.335 704 H SER 100 H SER 100 -29.694 9.328 -1.292 705 HA SER 100 HA SER 100 -29.421 8.532 -4.047 706 HB2 SER 100 1HB SER 100 -27.428 7.507 -2.840 707 HB3 SER 100 2HB SER 100 -28.590 6.522 -1.951 708 HG SER 100 HG SER 100 -28.371 5.243 -3.612 709 H SER 101 H SER 101 -30.894 6.798 -4.629 710 HA SER 101 HA SER 101 -32.977 6.244 -2.638 711 HB2 SER 101 1HB SER 101 -33.482 7.264 -5.444 712 HB3 SER 101 2HB SER 101 -34.728 6.700 -4.330 713 HG SER 101 HG SER 101 -33.879 9.119 -4.525 714 H GLY 102 H GLY 102 -34.061 4.296 -2.895 715 HA2 GLY 102 1HA GLY 102 -34.576 2.493 -4.606 716 HA3 GLY 102 2HA GLY 102 -32.839 2.477 -4.874 Start of MODEL 2 1 H1 GLY 1 H GLY 1 9.921 9.878 12.649 2 HA2 GLY 1 1HA GLY 1 12.392 11.068 12.645 3 HA3 GLY 1 2HA GLY 1 11.327 12.273 13.356 4 H SER 2 H SER 2 11.106 12.212 15.487 5 HA SER 2 HA SER 2 12.430 10.378 17.115 6 HB2 SER 2 1HB SER 2 11.419 12.754 17.625 7 HB3 SER 2 2HB SER 2 10.014 11.822 18.141 8 HG SER 2 HG SER 2 11.127 11.766 19.946 9 H SER 3 H SER 3 12.014 8.262 17.116 10 HA SER 3 HA SER 3 10.880 6.276 17.087 11 HB2 SER 3 1HB SER 3 9.422 5.964 18.932 12 HB3 SER 3 2HB SER 3 10.551 7.219 19.442 13 HG SER 3 HG SER 3 8.974 8.625 19.491 14 H GLY 4 H GLY 4 10.213 7.848 14.893 15 HA2 GLY 4 1HA GLY 4 7.296 7.579 14.635 16 HA3 GLY 4 2HA GLY 4 8.334 8.530 13.582 17 H SER 5 H SER 5 8.710 7.698 11.646 18 HA SER 5 HA SER 5 7.734 5.195 10.841 19 HB2 SER 5 1HB SER 5 9.770 7.005 9.523 20 HB3 SER 5 2HB SER 5 9.026 5.609 8.743 21 HG SER 5 HG SER 5 6.985 6.840 9.531 22 H SER 6 H SER 6 8.507 3.479 11.992 23 HA SER 6 HA SER 6 11.153 3.058 12.782 24 HB2 SER 6 1HB SER 6 8.829 1.202 12.324 25 HB3 SER 6 2HB SER 6 10.409 0.576 12.796 26 HG SER 6 HG SER 6 10.299 1.921 14.644 27 H GLY 7 H GLY 7 9.419 1.701 9.974 28 HA2 GLY 7 1HA GLY 7 11.973 0.813 8.855 29 HA3 GLY 7 2HA GLY 7 10.375 0.375 8.268 30 H GLN 8 H GLN 8 12.981 1.765 7.201 31 HA GLN 8 HA GLN 8 12.401 4.337 6.360 32 HB2 GLN 8 1HB GLN 8 14.527 2.801 6.054 33 HB3 GLN 8 2HB GLN 8 13.801 2.483 4.484 34 HG2 GLN 8 1HG GLN 8 15.316 4.247 4.157 35 HG3 GLN 8 2HG GLN 8 13.711 4.977 4.150 36 HE21 GLN 8 1HE2 GLN 8 16.087 4.045 6.622 37 HE22 GLN 8 2HE2 GLN 8 16.058 5.555 7.461 38 H ALA 9 H ALA 9 11.028 1.356 5.338 39 HA ALA 9 HA ALA 9 10.233 1.705 2.768 40 HB1 ALA 9 3HB ALA 9 7.944 0.815 4.235 41 HB2 ALA 9 1HB ALA 9 9.047 -0.114 3.219 42 HB3 ALA 9 2HB ALA 9 9.403 0.111 4.932 43 H ASP 10 H ASP 10 8.879 2.977 1.634 44 HA ASP 10 HA ASP 10 7.385 5.023 3.135 45 HB2 ASP 10 1HB ASP 10 9.297 5.688 1.530 46 HB3 ASP 10 2HB ASP 10 8.170 5.272 0.242 47 H ALA 11 H ALA 11 5.428 4.011 3.374 48 HA ALA 11 HA ALA 11 4.119 2.814 1.074 49 HB1 ALA 11 3HB ALA 11 3.366 3.046 3.975 50 HB2 ALA 11 1HB ALA 11 2.278 2.384 2.755 51 HB3 ALA 11 2HB ALA 11 3.826 1.600 3.076 52 H GLY 12 H GLY 12 4.662 5.677 1.034 53 HA2 GLY 12 1HA GLY 12 3.612 7.627 0.433 54 HA3 GLY 12 2HA GLY 12 2.258 6.611 -0.038 55 HA PRO 13 HA PRO 13 1.339 9.305 3.779 56 HB2 PRO 13 1HB PRO 13 -0.223 11.173 2.579 57 HB3 PRO 13 2HB PRO 13 1.525 11.360 2.768 58 HG2 PRO 13 1HG PRO 13 -0.037 10.469 0.374 59 HG3 PRO 13 2HG PRO 13 1.341 11.582 0.461 60 HD2 PRO 13 1HD PRO 13 1.603 8.996 -0.299 61 HD3 PRO 13 2HD PRO 13 2.879 9.869 0.573 62 H ASP 14 H ASP 14 -1.025 10.038 4.373 63 HA ASP 14 HA ASP 14 -2.634 7.836 4.593 64 HB2 ASP 14 1HB ASP 14 -4.274 9.232 5.468 65 HB3 ASP 14 2HB ASP 14 -2.816 10.195 5.687 66 H LYS 15 H LYS 15 -4.347 6.949 3.487 67 HA LYS 15 HA LYS 15 -4.705 7.902 0.721 68 HB2 LYS 15 1HB LYS 15 -4.799 5.119 1.878 69 HB3 LYS 15 2HB LYS 15 -5.430 5.500 0.282 70 HG2 LYS 15 1HG LYS 15 -2.623 6.226 1.003 71 HG3 LYS 15 2HG LYS 15 -3.027 4.578 0.517 72 HD2 LYS 15 1HD LYS 15 -3.595 5.210 -1.630 73 HD3 LYS 15 2HD LYS 15 -3.945 6.874 -1.159 74 HE2 LYS 15 1HE LYS 15 -1.158 5.865 -0.881 75 HE3 LYS 15 2HE LYS 15 -1.756 6.252 -2.493 76 HZ1 LYS 15 3HZ LYS 15 -0.840 8.008 -0.506 77 HZ2 LYS 15 1HZ LYS 15 -2.473 8.344 -0.794 78 HZ3 LYS 15 2HZ LYS 15 -1.365 8.374 -2.072 79 H GLU 16 H GLU 16 -6.613 8.792 0.329 80 HA GLU 16 HA GLU 16 -8.942 7.862 1.878 81 HB2 GLU 16 1HB GLU 16 -8.047 10.261 2.262 82 HB3 GLU 16 2HB GLU 16 -8.741 10.613 0.685 83 HG2 GLU 16 1HG GLU 16 -10.461 9.280 2.702 84 HG3 GLU 16 2HG GLU 16 -10.087 10.988 2.920 85 H LEU 17 H LEU 17 -10.557 7.018 0.740 86 HA LEU 17 HA LEU 17 -10.753 7.673 -2.124 87 HB2 LEU 17 1HB LEU 17 -11.403 4.983 -0.949 88 HB3 LEU 17 2HB LEU 17 -11.284 5.420 -2.652 89 HG LEU 17 HG LEU 17 -8.883 5.573 -0.865 90 HD11 LEU 17 1HD1 LEU 17 -9.010 3.145 -2.422 91 HD12 LEU 17 2HD1 LEU 17 -10.320 3.225 -1.244 92 HD13 LEU 17 3HD1 LEU 17 -8.645 3.370 -0.711 93 HD21 LEU 17 3HD2 LEU 17 -9.166 4.979 -3.806 94 HD22 LEU 17 1HD2 LEU 17 -7.678 5.311 -2.918 95 HD23 LEU 17 2HD2 LEU 17 -8.877 6.586 -3.139 96 H THR 18 H THR 18 -12.819 7.795 -3.003 97 HA THR 18 HA THR 18 -15.048 7.670 -1.081 98 HB THR 18 HB THR 18 -14.751 9.767 -3.238 99 HG1 THR 18 1HG THR 18 -14.616 10.267 -0.457 100 HG21 THR 18 3HG2 THR 18 -17.073 9.082 -2.533 101 HG22 THR 18 1HG2 THR 18 -16.688 10.785 -2.293 102 HG23 THR 18 2HG2 THR 18 -16.679 9.677 -0.921 103 H LEU 19 H LEU 19 -16.602 6.334 -1.710 104 HA LEU 19 HA LEU 19 -16.644 4.781 -3.944 105 HB2 LEU 19 1HB LEU 19 -18.799 5.770 -2.138 106 HB3 LEU 19 2HB LEU 19 -19.245 4.859 -3.580 107 HG LEU 19 HG LEU 19 -19.127 3.486 -1.518 108 HD11 LEU 19 1HD1 LEU 19 -17.531 1.754 -2.539 109 HD12 LEU 19 2HD1 LEU 19 -17.341 2.912 -3.854 110 HD13 LEU 19 3HD1 LEU 19 -18.934 2.254 -3.483 111 HD21 LEU 19 3HD2 LEU 19 -16.258 4.369 -1.612 112 HD22 LEU 19 1HD2 LEU 19 -16.752 2.880 -0.805 113 HD23 LEU 19 2HD2 LEU 19 -17.390 4.432 -0.260 114 HA PRO 20 HA PRO 20 -18.563 3.831 -5.138 115 HB2 PRO 20 1HB PRO 20 -18.242 3.115 -7.737 116 HB3 PRO 20 2HB PRO 20 -19.755 3.773 -7.102 117 HG2 PRO 20 1HG PRO 20 -17.576 5.158 -8.617 118 HG3 PRO 20 2HG PRO 20 -19.333 5.298 -8.806 119 HD2 PRO 20 1HD PRO 20 -17.861 7.132 -7.464 120 HD3 PRO 20 2HD PRO 20 -19.536 6.743 -7.021 121 H VAL 21 H VAL 21 -15.862 5.606 -6.155 122 HA VAL 21 HA VAL 21 -13.988 3.883 -7.076 123 HB VAL 21 HB VAL 21 -13.551 5.915 -4.882 124 HG11 VAL 21 1HG1 VAL 21 -11.761 4.037 -6.122 125 HG12 VAL 21 2HG1 VAL 21 -11.269 5.693 -6.486 126 HG13 VAL 21 3HG1 VAL 21 -11.457 5.175 -4.810 127 HG21 VAL 21 3HG2 VAL 21 -13.483 7.539 -6.449 128 HG22 VAL 21 1HG2 VAL 21 -12.770 6.482 -7.667 129 HG23 VAL 21 2HG2 VAL 21 -14.504 6.421 -7.353 130 H ASP 22 H ASP 22 -13.595 1.856 -6.484 131 HA ASP 22 HA ASP 22 -13.232 1.289 -3.617 132 HB2 ASP 22 1HB ASP 22 -14.190 -0.953 -3.985 133 HB3 ASP 22 2HB ASP 22 -15.355 0.320 -4.340 134 H SER 23 H SER 23 -11.249 2.006 -5.583 135 HA SER 23 HA SER 23 -9.451 -0.219 -5.188 136 HB2 SER 23 1HB SER 23 -8.873 -0.537 -7.519 137 HB3 SER 23 2HB SER 23 -10.611 -0.775 -7.331 138 HG SER 23 HG SER 23 -10.553 1.667 -7.869 139 H THR 24 H THR 24 -7.371 0.434 -5.005 140 HA THR 24 HA THR 24 -6.636 3.110 -5.945 141 HB THR 24 HB THR 24 -7.353 3.255 -3.537 142 HG1 THR 24 1HG THR 24 -5.769 4.684 -4.532 143 HG21 THR 24 3HG2 THR 24 -6.660 1.247 -2.555 144 HG22 THR 24 1HG2 THR 24 -5.519 2.436 -1.927 145 HG23 THR 24 2HG2 THR 24 -5.040 1.363 -3.243 146 H THR 25 H THR 25 -4.196 3.467 -5.504 147 HA THR 25 HA THR 25 -2.742 0.947 -5.965 148 HB THR 25 HB THR 25 -1.228 2.218 -7.502 149 HG1 THR 25 1HG THR 25 -1.628 4.270 -7.944 150 HG21 THR 25 3HG2 THR 25 -3.493 2.587 -9.112 151 HG22 THR 25 1HG2 THR 25 -3.904 1.280 -8.003 152 HG23 THR 25 2HG2 THR 25 -2.469 1.155 -9.019 153 H LEU 26 H LEU 26 -1.186 0.614 -4.528 154 HA LEU 26 HA LEU 26 -0.207 2.880 -2.948 155 HB2 LEU 26 1HB LEU 26 0.185 -0.063 -2.444 156 HB3 LEU 26 2HB LEU 26 0.532 1.261 -1.334 157 HG LEU 26 HG LEU 26 -2.267 0.813 -2.288 158 HD11 LEU 26 1HD1 LEU 26 -2.310 -0.483 0.052 159 HD12 LEU 26 2HD1 LEU 26 -0.695 -0.932 -0.497 160 HD13 LEU 26 3HD1 LEU 26 -2.100 -1.297 -1.498 161 HD21 LEU 26 3HD2 LEU 26 -1.690 1.535 0.489 162 HD22 LEU 26 1HD2 LEU 26 -2.815 2.255 -0.664 163 HD23 LEU 26 2HD2 LEU 26 -1.109 2.703 -0.699 164 H ASP 27 H ASP 27 1.252 3.711 -4.488 165 HA ASP 27 HA ASP 27 3.375 2.038 -5.507 166 HB2 ASP 27 1HB ASP 27 2.386 3.917 -6.824 167 HB3 ASP 27 2HB ASP 27 3.091 5.044 -5.669 168 H GLY 28 H GLY 28 5.288 1.693 -4.579 169 HA2 GLY 28 1HA GLY 28 6.132 3.535 -2.427 170 HA3 GLY 28 2HA GLY 28 6.289 1.791 -2.279 171 H SER 29 H SER 29 6.955 3.765 -5.133 172 HA SER 29 HA SER 29 9.538 2.537 -5.425 173 HB2 SER 29 1HB SER 29 8.338 2.973 -7.445 174 HB3 SER 29 2HB SER 29 8.079 4.661 -7.004 175 HG SER 29 HG SER 29 9.791 4.342 -8.537 176 H LYS 30 H LYS 30 8.295 5.452 -4.063 177 HA LYS 30 HA LYS 30 10.885 6.775 -4.051 178 HB2 LYS 30 1HB LYS 30 8.118 7.555 -3.181 179 HB3 LYS 30 2HB LYS 30 9.515 8.488 -2.658 180 HG2 LYS 30 1HG LYS 30 10.123 8.794 -5.053 181 HG3 LYS 30 2HG LYS 30 8.602 8.009 -5.486 182 HD2 LYS 30 1HD LYS 30 8.040 10.255 -5.563 183 HD3 LYS 30 2HD LYS 30 7.534 9.798 -3.934 184 HE2 LYS 30 1HE LYS 30 9.963 10.541 -3.301 185 HE3 LYS 30 2HE LYS 30 9.867 11.442 -4.813 186 HZ1 LYS 30 3HZ LYS 30 9.144 12.611 -2.686 187 HZ2 LYS 30 1HZ LYS 30 7.749 11.656 -2.765 188 HZ3 LYS 30 2HZ LYS 30 8.114 12.726 -4.023 189 H SER 31 H SER 31 11.243 4.489 -2.753 190 HA SER 31 HA SER 31 10.833 4.910 0.101 191 HB2 SER 31 1HB SER 31 11.682 2.638 0.369 192 HB3 SER 31 2HB SER 31 10.435 2.667 -0.877 193 HG SER 31 HG SER 31 12.474 3.024 -2.282 194 H SER 32 H SER 32 12.219 6.671 0.464 195 HA SER 32 HA SER 32 14.788 7.086 -0.315 196 HB2 SER 32 1HB SER 32 13.711 8.730 1.044 197 HB3 SER 32 2HB SER 32 13.528 7.598 2.383 198 HG SER 32 HG SER 32 15.289 9.083 2.645 199 H ASP 33 H ASP 33 16.741 6.212 0.019 200 HA ASP 33 HA ASP 33 17.510 4.760 2.307 201 HB2 ASP 33 1HB ASP 33 15.881 3.179 0.963 202 HB3 ASP 33 2HB ASP 33 17.308 2.908 -0.033 203 H ASP 34 H ASP 34 19.693 3.967 2.178 204 HA ASP 34 HA ASP 34 21.361 5.603 0.574 205 HB2 ASP 34 1HB ASP 34 22.146 4.913 2.736 206 HB3 ASP 34 2HB ASP 34 21.964 3.211 2.319 207 H GLN 35 H GLN 35 20.644 2.122 0.502 208 HA GLN 35 HA GLN 35 21.793 2.029 -2.209 209 HB2 GLN 35 1HB GLN 35 21.744 0.038 0.022 210 HB3 GLN 35 2HB GLN 35 21.791 -0.538 -1.638 211 HG2 GLN 35 1HG GLN 35 23.780 1.181 -1.814 212 HG3 GLN 35 2HG GLN 35 23.849 0.917 -0.072 213 HE21 GLN 35 1HE2 GLN 35 23.515 -0.969 -3.062 214 HE22 GLN 35 2HE2 GLN 35 24.599 -2.228 -2.590 215 H LYS 36 H LYS 36 20.550 1.375 -3.869 216 HA LYS 36 HA LYS 36 17.856 1.536 -3.932 217 HB2 LYS 36 1HB LYS 36 19.591 1.058 -5.829 218 HB3 LYS 36 2HB LYS 36 19.156 -0.624 -5.555 219 HG2 LYS 36 1HG LYS 36 17.037 -0.357 -6.372 220 HG3 LYS 36 2HG LYS 36 16.978 1.359 -5.963 221 HD2 LYS 36 1HD LYS 36 17.196 1.494 -8.239 222 HD3 LYS 36 2HD LYS 36 18.897 1.508 -7.764 223 HE2 LYS 36 1HE LYS 36 18.856 -1.007 -8.061 224 HE3 LYS 36 2HE LYS 36 17.280 -0.799 -8.824 225 HZ1 LYS 36 3HZ LYS 36 18.985 -0.869 -10.494 226 HZ2 LYS 36 1HZ LYS 36 19.849 0.375 -9.740 227 HZ3 LYS 36 2HZ LYS 36 18.343 0.695 -10.440 228 H ILE 37 H ILE 37 16.088 0.252 -3.579 229 HA ILE 37 HA ILE 37 16.480 -1.986 -1.786 230 HB ILE 37 HB ILE 37 13.869 -0.903 -2.840 231 HG12 ILE 37 1HG1 ILE 37 14.768 0.970 -1.786 232 HG13 ILE 37 2HG1 ILE 37 13.878 0.197 -0.479 233 HG21 ILE 37 1HG2 ILE 37 14.324 -3.208 -1.489 234 HG22 ILE 37 2HG2 ILE 37 14.042 -2.086 -0.159 235 HG23 ILE 37 3HG2 ILE 37 12.821 -2.289 -1.415 236 HD11 ILE 37 3HD1 ILE 37 16.025 -0.869 0.228 237 HD12 ILE 37 1HD1 ILE 37 16.842 0.146 -0.960 238 HD13 ILE 37 2HD1 ILE 37 15.973 0.887 0.384 239 H ILE 38 H ILE 38 16.628 -4.021 -2.433 240 HA ILE 38 HA ILE 38 15.639 -4.734 -5.106 241 HB ILE 38 HB ILE 38 17.086 -6.734 -4.905 242 HG12 ILE 38 1HG1 ILE 38 18.473 -5.501 -2.566 243 HG13 ILE 38 2HG1 ILE 38 17.011 -6.436 -2.269 244 HG21 ILE 38 1HG2 ILE 38 17.903 -4.002 -5.184 245 HG22 ILE 38 2HG2 ILE 38 19.214 -4.951 -4.487 246 HG23 ILE 38 3HG2 ILE 38 18.496 -5.435 -6.024 247 HD11 ILE 38 3HD1 ILE 38 17.978 -8.403 -3.106 248 HD12 ILE 38 1HD1 ILE 38 19.318 -7.526 -3.845 249 HD13 ILE 38 2HD1 ILE 38 19.213 -7.662 -2.089 250 H SER 39 H SER 39 13.858 -4.492 -2.855 251 HA SER 39 HA SER 39 12.564 -7.049 -3.061 252 HB2 SER 39 1HB SER 39 14.312 -7.156 -1.116 253 HB3 SER 39 2HB SER 39 13.126 -6.187 -0.241 254 HG SER 39 HG SER 39 12.067 -7.959 0.082 255 H TYR 40 H TYR 40 10.386 -6.922 -2.682 256 HA TYR 40 HA TYR 40 9.267 -4.585 -1.374 257 HB2 TYR 40 1HB TYR 40 8.601 -5.216 -4.257 258 HB3 TYR 40 2HB TYR 40 7.871 -3.949 -3.277 259 HD1 TYR 40 1HD TYR 40 9.401 -2.088 -2.415 260 HD2 TYR 40 2HD TYR 40 10.535 -4.786 -5.502 261 HE1 TYR 40 1HE TYR 40 11.143 -0.512 -3.144 262 HE2 TYR 40 2HE TYR 40 12.281 -3.219 -6.240 263 HH TYR 40 HH TYR 40 13.629 -1.356 -5.230 264 H LEU 41 H LEU 41 7.372 -5.023 -0.392 265 HA LEU 41 HA LEU 41 5.820 -7.353 -1.219 266 HB2 LEU 41 1HB LEU 41 7.408 -8.146 0.483 267 HB3 LEU 41 2HB LEU 41 6.791 -6.934 1.605 268 HG LEU 41 HG LEU 41 4.581 -8.064 1.527 269 HD11 LEU 41 1HD1 LEU 41 6.087 -10.133 -0.065 270 HD12 LEU 41 2HD1 LEU 41 4.757 -9.129 -0.641 271 HD13 LEU 41 3HD1 LEU 41 4.470 -10.339 0.609 272 HD21 LEU 41 3HD2 LEU 41 6.937 -8.849 2.852 273 HD22 LEU 41 1HD2 LEU 41 6.102 -10.329 2.382 274 HD23 LEU 41 2HD2 LEU 41 5.267 -9.118 3.354 275 H TRP 42 H TRP 42 3.646 -7.269 -0.655 276 HA TRP 42 HA TRP 42 2.725 -4.917 0.828 277 HB2 TRP 42 1HB TRP 42 1.963 -5.661 -1.986 278 HB3 TRP 42 2HB TRP 42 0.881 -4.715 -0.967 279 HD1 TRP 42 HD TRP 42 3.963 -4.417 -3.107 280 HE1 TRP 42 1HE TRP 42 4.745 -1.965 -3.151 281 HE3 TRP 42 3HE TRP 42 0.974 -2.544 0.594 282 HZ2 TRP 42 2HZ TRP 42 4.172 0.444 -1.796 283 HZ3 TRP 42 3HZ TRP 42 1.153 -0.156 1.159 284 HH2 TRP 42 HH TRP 42 2.720 1.305 -0.012 285 H GLU 43 H GLU 43 1.477 -5.623 2.419 286 HA GLU 43 HA GLU 43 -0.519 -7.685 1.863 287 HB2 GLU 43 1HB GLU 43 1.454 -7.816 4.150 288 HB3 GLU 43 2HB GLU 43 0.042 -8.849 3.989 289 HG2 GLU 43 1HG GLU 43 2.172 -8.714 1.883 290 HG3 GLU 43 2HG GLU 43 2.270 -9.810 3.260 291 H LYS 44 H LYS 44 -2.287 -7.700 3.335 292 HA LYS 44 HA LYS 44 -2.786 -5.083 4.498 293 HB2 LYS 44 1HB LYS 44 -4.522 -6.068 3.103 294 HB3 LYS 44 2HB LYS 44 -4.581 -7.490 4.136 295 HG2 LYS 44 1HG LYS 44 -5.589 -6.315 5.890 296 HG3 LYS 44 2HG LYS 44 -5.162 -4.747 5.200 297 HD2 LYS 44 1HD LYS 44 -7.508 -5.125 4.849 298 HD3 LYS 44 2HD LYS 44 -6.683 -5.242 3.292 299 HE2 LYS 44 1HE LYS 44 -8.282 -7.026 3.454 300 HE3 LYS 44 2HE LYS 44 -6.661 -7.710 3.551 301 HZ1 LYS 44 3HZ LYS 44 -6.943 -7.681 6.016 302 HZ2 LYS 44 1HZ LYS 44 -7.975 -8.749 5.205 303 HZ3 LYS 44 2HZ LYS 44 -8.567 -7.273 5.780 304 H THR 45 H THR 45 -2.093 -4.747 6.504 305 HA THR 45 HA THR 45 -1.703 -6.875 8.385 306 HB THR 45 HB THR 45 -1.385 -4.792 9.971 307 HG1 THR 45 1HG THR 45 -0.667 -2.984 8.639 308 HG21 THR 45 3HG2 THR 45 0.576 -5.225 7.723 309 HG22 THR 45 1HG2 THR 45 0.364 -6.364 9.052 310 HG23 THR 45 2HG2 THR 45 0.920 -4.722 9.377 311 H GLN 46 H GLN 46 -3.958 -4.138 8.138 312 HA GLN 46 HA GLN 46 -5.760 -5.578 9.963 313 HB2 GLN 46 1HB GLN 46 -4.777 -2.777 10.112 314 HB3 GLN 46 2HB GLN 46 -6.464 -3.059 10.520 315 HG2 GLN 46 1HG GLN 46 -5.889 -4.514 12.293 316 HG3 GLN 46 2HG GLN 46 -4.207 -4.593 11.772 317 HE21 GLN 46 1HE2 GLN 46 -2.862 -2.792 12.110 318 HE22 GLN 46 2HE2 GLN 46 -3.246 -1.593 13.293 319 H GLY 47 H GLY 47 -8.003 -4.236 9.883 320 HA2 GLY 47 1HA GLY 47 -9.647 -3.236 8.501 321 HA3 GLY 47 2HA GLY 47 -8.616 -3.525 7.108 322 HA PRO 48 HA PRO 48 -12.031 -6.785 7.551 323 HB2 PRO 48 1HB PRO 48 -13.533 -6.023 5.422 324 HB3 PRO 48 2HB PRO 48 -13.795 -5.400 7.055 325 HG2 PRO 48 1HG PRO 48 -12.336 -4.147 4.761 326 HG3 PRO 48 2HG PRO 48 -13.468 -3.404 5.907 327 HD2 PRO 48 1HD PRO 48 -10.782 -3.147 6.137 328 HD3 PRO 48 2HD PRO 48 -11.861 -3.188 7.546 329 H ASP 49 H ASP 49 -11.926 -8.666 6.421 330 HA ASP 49 HA ASP 49 -9.927 -8.878 4.357 331 HB2 ASP 49 1HB ASP 49 -10.408 -11.297 4.460 332 HB3 ASP 49 2HB ASP 49 -10.097 -10.620 6.056 333 H GLY 50 H GLY 50 -10.348 -10.040 2.315 334 HA2 GLY 50 1HA GLY 50 -12.215 -10.812 0.819 335 HA3 GLY 50 2HA GLY 50 -12.999 -9.297 1.240 336 H VAL 51 H VAL 51 -10.809 -7.570 1.099 337 HA VAL 51 HA VAL 51 -10.797 -6.726 -1.492 338 HB VAL 51 HB VAL 51 -8.704 -5.521 -1.022 339 HG11 VAL 51 1HG1 VAL 51 -10.526 -4.348 -0.221 340 HG12 VAL 51 2HG1 VAL 51 -10.905 -5.564 1.001 341 HG13 VAL 51 3HG1 VAL 51 -9.522 -4.491 1.222 342 HG21 VAL 51 3HG2 VAL 51 -8.467 -7.599 1.035 343 HG22 VAL 51 1HG2 VAL 51 -7.217 -6.661 0.216 344 HG23 VAL 51 2HG2 VAL 51 -8.081 -5.970 1.590 345 H GLN 52 H GLN 52 -8.883 -6.626 -3.015 346 HA GLN 52 HA GLN 52 -7.458 -9.195 -3.122 347 HB2 GLN 52 1HB GLN 52 -9.191 -7.935 -5.206 348 HB3 GLN 52 2HB GLN 52 -7.795 -8.875 -5.715 349 HG2 GLN 52 1HG GLN 52 -8.826 -10.637 -4.036 350 HG3 GLN 52 2HG GLN 52 -10.306 -9.756 -4.412 351 HE21 GLN 52 1HE2 GLN 52 -11.428 -10.702 -5.940 352 HE22 GLN 52 2HE2 GLN 52 -10.793 -11.526 -7.319 353 H LEU 53 H LEU 53 -5.353 -8.812 -3.084 354 HA LEU 53 HA LEU 53 -4.333 -6.258 -4.078 355 HB2 LEU 53 1HB LEU 53 -3.393 -8.306 -2.155 356 HB3 LEU 53 2HB LEU 53 -2.161 -7.412 -3.043 357 HG LEU 53 HG LEU 53 -4.293 -5.873 -1.646 358 HD11 LEU 53 1HD1 LEU 53 -3.309 -7.741 -0.136 359 HD12 LEU 53 2HD1 LEU 53 -3.393 -6.087 0.469 360 HD13 LEU 53 3HD1 LEU 53 -1.864 -6.730 -0.131 361 HD21 LEU 53 3HD2 LEU 53 -1.445 -5.490 -2.470 362 HD22 LEU 53 1HD2 LEU 53 -2.141 -4.493 -1.191 363 HD23 LEU 53 2HD2 LEU 53 -2.855 -4.484 -2.804 364 H GLU 54 H GLU 54 -3.271 -6.083 -5.941 365 HA GLU 54 HA GLU 54 -2.379 -8.560 -7.265 366 HB2 GLU 54 1HB GLU 54 -3.687 -6.088 -8.301 367 HB3 GLU 54 2HB GLU 54 -2.548 -6.925 -9.346 368 HG2 GLU 54 1HG GLU 54 -4.487 -7.933 -9.975 369 HG3 GLU 54 2HG GLU 54 -3.978 -9.024 -8.687 370 H ASN 55 H ASN 55 -0.342 -8.673 -8.102 371 HA ASN 55 HA ASN 55 1.865 -8.202 -8.376 372 HB2 ASN 55 1HB ASN 55 0.545 -5.576 -8.853 373 HB3 ASN 55 2HB ASN 55 2.291 -5.575 -8.623 374 HD21 ASN 55 1HD2 ASN 55 -0.268 -6.171 -10.761 375 HD22 ASN 55 2HD2 ASN 55 0.662 -6.778 -12.085 376 H ALA 56 H ALA 56 0.618 -8.232 -5.691 377 HA ALA 56 HA ALA 56 1.616 -6.326 -3.953 378 HB1 ALA 56 3HB ALA 56 1.210 -7.842 -2.211 379 HB2 ALA 56 1HB ALA 56 0.047 -8.274 -3.464 380 HB3 ALA 56 2HB ALA 56 1.505 -9.241 -3.243 381 H ASN 57 H ASN 57 3.284 -8.873 -5.617 382 HA ASN 57 HA ASN 57 5.652 -8.656 -3.951 383 HB2 ASN 57 1HB ASN 57 5.364 -10.199 -6.531 384 HB3 ASN 57 2HB ASN 57 6.553 -10.447 -5.255 385 HD21 ASN 57 1HD2 ASN 57 6.151 -12.000 -3.860 386 HD22 ASN 57 2HD2 ASN 57 4.607 -12.711 -3.546 387 H SER 58 H SER 58 4.757 -6.299 -5.386 388 HA SER 58 HA SER 58 7.227 -5.765 -6.866 389 HB2 SER 58 1HB SER 58 4.515 -4.903 -7.893 390 HB3 SER 58 2HB SER 58 6.074 -4.694 -8.690 391 HG SER 58 HG SER 58 4.532 -7.014 -8.364 392 H SER 59 H SER 59 7.580 -3.410 -7.195 393 HA SER 59 HA SER 59 7.461 -2.011 -4.801 394 HB2 SER 59 1HB SER 59 8.146 -0.038 -6.101 395 HB3 SER 59 2HB SER 59 9.047 -1.470 -6.600 396 HG SER 59 HG SER 59 6.930 -0.159 -7.936 397 H VAL 60 H VAL 60 5.193 -2.120 -7.463 398 HA VAL 60 HA VAL 60 3.423 -0.290 -5.973 399 HB VAL 60 HB VAL 60 3.451 -0.770 -8.956 400 HG11 VAL 60 1HG1 VAL 60 1.823 1.095 -7.235 401 HG12 VAL 60 2HG1 VAL 60 1.886 1.157 -8.997 402 HG13 VAL 60 3HG1 VAL 60 1.229 -0.266 -8.187 403 HG21 VAL 60 3HG2 VAL 60 5.001 0.996 -7.293 404 HG22 VAL 60 1HG2 VAL 60 5.101 0.718 -9.032 405 HG23 VAL 60 2HG2 VAL 60 3.977 1.918 -8.394 406 H ALA 61 H ALA 61 1.572 -1.118 -5.258 407 HA ALA 61 HA ALA 61 0.625 -3.649 -6.438 408 HB1 ALA 61 3HB ALA 61 0.562 -2.730 -3.573 409 HB2 ALA 61 1HB ALA 61 -0.361 -4.108 -4.173 410 HB3 ALA 61 2HB ALA 61 1.402 -4.128 -4.246 411 H THR 62 H THR 62 -1.725 -4.022 -6.209 412 HA THR 62 HA THR 62 -3.279 -1.524 -6.169 413 HB THR 62 HB THR 62 -3.539 -3.733 -8.217 414 HG1 THR 62 1HG THR 62 -2.546 -1.084 -8.275 415 HG21 THR 62 3HG2 THR 62 -5.692 -3.112 -8.295 416 HG22 THR 62 1HG2 THR 62 -5.106 -1.627 -9.042 417 HG23 THR 62 2HG2 THR 62 -5.405 -1.682 -7.304 418 H VAL 63 H VAL 63 -4.877 -1.626 -4.745 419 HA VAL 63 HA VAL 63 -5.857 -4.267 -3.903 420 HB VAL 63 HB VAL 63 -6.159 -1.616 -2.485 421 HG11 VAL 63 1HG1 VAL 63 -6.910 -2.938 -0.594 422 HG12 VAL 63 2HG1 VAL 63 -7.933 -3.252 -1.998 423 HG13 VAL 63 3HG1 VAL 63 -6.703 -4.423 -1.522 424 HG21 VAL 63 3HG2 VAL 63 -4.352 -2.156 -1.128 425 HG22 VAL 63 1HG2 VAL 63 -4.396 -3.860 -1.579 426 HG23 VAL 63 2HG2 VAL 63 -3.805 -2.659 -2.727 427 H THR 64 H THR 64 -7.730 -4.889 -4.729 428 HA THR 64 HA THR 64 -9.720 -2.829 -5.429 429 HB THR 64 HB THR 64 -10.547 -4.223 -7.179 430 HG1 THR 64 1HG THR 64 -8.752 -6.200 -6.178 431 HG21 THR 64 3HG2 THR 64 -7.709 -4.777 -7.710 432 HG22 THR 64 1HG2 THR 64 -8.065 -3.112 -7.254 433 HG23 THR 64 2HG2 THR 64 -8.874 -3.838 -8.642 434 H GLY 65 H GLY 65 -11.981 -3.447 -5.201 435 HA2 GLY 65 1HA GLY 65 -13.756 -4.553 -4.192 436 HA3 GLY 65 2HA GLY 65 -12.627 -5.759 -3.595 437 H LEU 66 H LEU 66 -12.437 -2.269 -3.102 438 HA LEU 66 HA LEU 66 -12.329 -2.714 -0.231 439 HB2 LEU 66 1HB LEU 66 -11.875 -0.288 -1.952 440 HB3 LEU 66 2HB LEU 66 -11.842 -0.240 -0.191 441 HG LEU 66 HG LEU 66 -10.037 -2.111 -1.674 442 HD11 LEU 66 1HD1 LEU 66 -10.029 0.630 -2.142 443 HD12 LEU 66 2HD1 LEU 66 -8.728 -0.510 -2.483 444 HD13 LEU 66 3HD1 LEU 66 -8.751 0.370 -0.955 445 HD21 LEU 66 3HD2 LEU 66 -9.568 -2.577 0.459 446 HD22 LEU 66 1HD2 LEU 66 -10.396 -1.135 1.048 447 HD23 LEU 66 2HD2 LEU 66 -8.728 -1.025 0.485 448 H GLN 67 H GLN 67 -13.583 -1.386 1.251 449 HA GLN 67 HA GLN 67 -16.019 -0.190 0.215 450 HB2 GLN 67 1HB GLN 67 -17.494 -1.548 1.611 451 HB3 GLN 67 2HB GLN 67 -16.620 -2.553 0.463 452 HG2 GLN 67 1HG GLN 67 -14.991 -3.055 2.311 453 HG3 GLN 67 2HG GLN 67 -16.117 -2.257 3.409 454 HE21 GLN 67 1HE2 GLN 67 -17.191 -3.708 4.527 455 HE22 GLN 67 2HE2 GLN 67 -17.851 -5.184 3.919 456 H VAL 68 H VAL 68 -17.388 0.635 2.138 457 HA VAL 68 HA VAL 68 -16.006 2.553 3.526 458 HB VAL 68 HB VAL 68 -18.514 1.198 4.526 459 HG11 VAL 68 1HG1 VAL 68 -18.931 3.126 5.787 460 HG12 VAL 68 2HG1 VAL 68 -17.214 2.806 6.035 461 HG13 VAL 68 3HG1 VAL 68 -17.724 4.068 4.913 462 HG21 VAL 68 3HG2 VAL 68 -19.289 1.838 2.498 463 HG22 VAL 68 1HG2 VAL 68 -19.404 3.409 3.290 464 HG23 VAL 68 2HG2 VAL 68 -18.016 3.036 2.267 465 H GLY 69 H GLY 69 -14.210 2.054 4.671 466 HA2 GLY 69 1HA GLY 69 -14.383 1.132 7.286 467 HA3 GLY 69 2HA GLY 69 -13.936 -0.253 6.300 468 H THR 70 H THR 70 -12.006 -0.154 7.723 469 HA THR 70 HA THR 70 -10.048 1.815 6.734 470 HB THR 70 HB THR 70 -9.738 0.267 9.298 471 HG1 THR 70 1HG THR 70 -11.669 1.468 9.470 472 HG21 THR 70 3HG2 THR 70 -8.425 2.437 9.808 473 HG22 THR 70 1HG2 THR 70 -8.474 2.692 8.064 474 HG23 THR 70 2HG2 THR 70 -7.702 1.249 8.724 475 H TYR 71 H TYR 71 -8.096 1.120 5.966 476 HA TYR 71 HA TYR 71 -7.532 -1.758 6.024 477 HB2 TYR 71 1HB TYR 71 -7.515 -0.030 3.541 478 HB3 TYR 71 2HB TYR 71 -6.902 -1.678 3.622 479 HD1 TYR 71 1HD TYR 71 -9.928 0.410 3.707 480 HD2 TYR 71 2HD TYR 71 -8.399 -3.560 3.656 481 HE1 TYR 71 1HE TYR 71 -12.178 -0.443 3.196 482 HE2 TYR 71 2HE TYR 71 -10.644 -4.424 3.144 483 HH TYR 71 HH TYR 71 -12.734 -3.693 2.230 484 H VAL 72 H VAL 72 -5.575 -2.045 6.836 485 HA VAL 72 HA VAL 72 -3.552 0.059 6.441 486 HB VAL 72 HB VAL 72 -3.609 -2.051 8.602 487 HG11 VAL 72 1HG1 VAL 72 -2.029 0.406 8.932 488 HG12 VAL 72 2HG1 VAL 72 -1.631 -1.266 9.335 489 HG13 VAL 72 3HG1 VAL 72 -1.457 -0.691 7.676 490 HG21 VAL 72 3HG2 VAL 72 -5.426 -0.188 8.578 491 HG22 VAL 72 1HG2 VAL 72 -4.551 -0.535 10.070 492 HG23 VAL 72 2HG2 VAL 72 -4.101 0.858 9.086 493 H PHE 73 H PHE 73 -2.147 -0.435 4.898 494 HA PHE 73 HA PHE 73 -1.343 -3.249 4.570 495 HB2 PHE 73 1HB PHE 73 -1.185 -1.015 2.536 496 HB3 PHE 73 2HB PHE 73 -0.789 -2.708 2.259 497 HD1 PHE 73 2HD PHE 73 -3.483 -0.282 2.715 498 HD2 PHE 73 1HD PHE 73 -2.522 -4.369 2.014 499 HE1 PHE 73 2HE PHE 73 -5.814 -0.713 2.057 500 HE2 PHE 73 1HE PHE 73 -4.852 -4.807 1.353 501 HZ PHE 73 HZ PHE 73 -6.501 -2.978 1.376 502 H THR 74 H THR 74 0.654 -3.765 5.143 503 HA THR 74 HA THR 74 2.599 -1.614 5.582 504 HB THR 74 HB THR 74 2.815 -4.490 6.482 505 HG1 THR 74 1HG THR 74 0.975 -3.259 7.369 506 HG21 THR 74 3HG2 THR 74 4.139 -2.576 8.145 507 HG22 THR 74 1HG2 THR 74 4.646 -2.337 6.473 508 HG23 THR 74 2HG2 THR 74 4.832 -3.917 7.234 509 H LEU 75 H LEU 75 4.346 -1.383 4.335 510 HA LEU 75 HA LEU 75 4.840 -3.408 2.270 511 HB2 LEU 75 1HB LEU 75 4.516 -1.373 1.214 512 HB3 LEU 75 2HB LEU 75 5.360 -0.473 2.472 513 HG LEU 75 HG LEU 75 7.493 -1.200 1.642 514 HD11 LEU 75 1HD1 LEU 75 6.850 -3.473 0.997 515 HD12 LEU 75 2HD1 LEU 75 7.719 -2.647 -0.295 516 HD13 LEU 75 3HD1 LEU 75 5.968 -2.827 -0.387 517 HD21 LEU 75 3HD2 LEU 75 7.483 0.383 0.080 518 HD22 LEU 75 1HD2 LEU 75 5.728 0.440 0.250 519 HD23 LEU 75 2HD2 LEU 75 6.461 -0.584 -0.985 520 H THR 76 H THR 76 6.230 -4.880 3.067 521 HA THR 76 HA THR 76 8.477 -4.065 4.715 522 HB THR 76 HB THR 76 8.060 -6.859 3.694 523 HG1 THR 76 1HG THR 76 6.863 -5.999 6.095 524 HG21 THR 76 3HG2 THR 76 9.710 -7.306 5.120 525 HG22 THR 76 1HG2 THR 76 8.750 -6.660 6.450 526 HG23 THR 76 2HG2 THR 76 9.814 -5.594 5.532 527 H VAL 77 H VAL 77 10.199 -3.238 3.723 528 HA VAL 77 HA VAL 77 11.073 -4.454 1.184 529 HB VAL 77 HB VAL 77 12.212 -2.328 0.690 530 HG11 VAL 77 1HG1 VAL 77 10.234 -2.277 -0.418 531 HG12 VAL 77 2HG1 VAL 77 9.281 -2.538 1.045 532 HG13 VAL 77 3HG1 VAL 77 9.933 -0.937 0.688 533 HG21 VAL 77 3HG2 VAL 77 12.593 -1.550 2.960 534 HG22 VAL 77 1HG2 VAL 77 11.706 -0.335 2.038 535 HG23 VAL 77 2HG2 VAL 77 10.858 -1.351 3.204 536 H LYS 78 H LYS 78 13.390 -4.543 0.815 537 HA LYS 78 HA LYS 78 15.064 -4.418 3.208 538 HB2 LYS 78 1HB LYS 78 14.356 -6.878 1.691 539 HB3 LYS 78 2HB LYS 78 16.019 -6.716 2.239 540 HG2 LYS 78 1HG LYS 78 15.337 -6.576 4.516 541 HG3 LYS 78 2HG LYS 78 13.637 -6.454 4.056 542 HD2 LYS 78 1HD LYS 78 15.170 -8.834 3.145 543 HD3 LYS 78 2HD LYS 78 14.710 -8.744 4.847 544 HE2 LYS 78 1HE LYS 78 12.654 -8.182 2.764 545 HE3 LYS 78 2HE LYS 78 13.126 -9.854 3.061 546 HZ1 LYS 78 3HZ LYS 78 12.682 -8.550 5.519 547 HZ2 LYS 78 1HZ LYS 78 11.867 -9.880 4.864 548 HZ3 LYS 78 2HZ LYS 78 11.337 -8.311 4.520 549 H ASP 79 H ASP 79 17.293 -4.227 2.785 550 HA ASP 79 HA ASP 79 17.903 -3.426 0.020 551 HB2 ASP 79 1HB ASP 79 19.355 -1.809 0.825 552 HB3 ASP 79 2HB ASP 79 18.107 -1.805 2.068 553 H GLU 80 H GLU 80 20.544 -3.483 -0.129 554 HA GLU 80 HA GLU 80 21.178 -6.175 -0.524 555 HB2 GLU 80 1HB GLU 80 22.378 -4.574 -1.786 556 HB3 GLU 80 2HB GLU 80 22.880 -3.699 -0.346 557 HG2 GLU 80 1HG GLU 80 24.790 -4.830 -1.071 558 HG3 GLU 80 2HG GLU 80 24.185 -5.777 0.287 559 H ARG 81 H ARG 81 21.666 -4.077 2.233 560 HA ARG 81 HA ARG 81 23.380 -5.950 3.607 561 HB2 ARG 81 1HB ARG 81 22.229 -3.263 4.210 562 HB3 ARG 81 2HB ARG 81 22.770 -4.259 5.554 563 HG2 ARG 81 1HG ARG 81 24.996 -4.371 4.631 564 HG3 ARG 81 2HG ARG 81 24.474 -3.486 3.196 565 HD2 ARG 81 1HD ARG 81 25.451 -1.822 4.470 566 HD3 ARG 81 2HD ARG 81 23.746 -1.666 4.892 567 HE ARG 81 HE ARG 81 25.170 -3.405 6.662 568 HH11 ARG 81 2HH1 ARG 81 24.431 -0.079 5.950 569 HH12 ARG 81 1HH1 ARG 81 24.678 0.460 7.578 570 HH21 ARG 81 2HH2 ARG 81 25.498 -2.708 8.809 571 HH22 ARG 81 1HH2 ARG 81 25.286 -1.035 9.203 572 H ASN 82 H ASN 82 20.447 -6.475 2.792 573 HA ASN 82 HA ASN 82 18.650 -7.610 3.603 574 HB2 ASN 82 1HB ASN 82 20.851 -8.496 5.449 575 HB3 ASN 82 2HB ASN 82 19.204 -9.075 5.674 576 HD21 ASN 82 1HD2 ASN 82 21.670 -8.710 3.157 577 HD22 ASN 82 2HD2 ASN 82 21.310 -10.193 2.348 578 H LEU 83 H LEU 83 19.120 -4.865 4.521 579 HA LEU 83 HA LEU 83 18.405 -4.655 7.266 580 HB2 LEU 83 1HB LEU 83 18.631 -2.801 4.960 581 HB3 LEU 83 2HB LEU 83 17.666 -2.275 6.339 582 HG LEU 83 HG LEU 83 20.514 -3.199 6.626 583 HD11 LEU 83 1HD1 LEU 83 20.765 -1.394 5.168 584 HD12 LEU 83 2HD1 LEU 83 20.967 -0.684 6.769 585 HD13 LEU 83 3HD1 LEU 83 19.441 -0.493 5.906 586 HD21 LEU 83 3HD2 LEU 83 20.318 -1.707 8.658 587 HD22 LEU 83 1HD2 LEU 83 19.376 -3.198 8.697 588 HD23 LEU 83 2HD2 LEU 83 18.582 -1.662 8.346 589 H GLN 84 H GLN 84 16.508 -5.162 8.117 590 HA GLN 84 HA GLN 84 14.148 -5.366 6.444 591 HB2 GLN 84 1HB GLN 84 14.823 -7.039 8.252 592 HB3 GLN 84 2HB GLN 84 14.287 -5.836 9.417 593 HG2 GLN 84 1HG GLN 84 12.429 -6.632 7.239 594 HG3 GLN 84 2HG GLN 84 12.691 -7.744 8.582 595 HE21 GLN 84 1HE2 GLN 84 12.715 -6.438 10.775 596 HE22 GLN 84 2HE2 GLN 84 11.334 -5.426 11.000 597 H SER 85 H SER 85 12.539 -3.930 6.337 598 HA SER 85 HA SER 85 11.882 -2.142 8.461 599 HB2 SER 85 1HB SER 85 12.341 -0.049 7.087 600 HB3 SER 85 2HB SER 85 13.758 -0.853 7.760 601 HG SER 85 HG SER 85 14.242 -1.667 5.769 602 H GLN 86 H GLN 86 9.752 -1.974 8.351 603 HA GLN 86 HA GLN 86 8.478 -1.846 5.700 604 HB2 GLN 86 1HB GLN 86 6.742 -3.300 6.369 605 HB3 GLN 86 2HB GLN 86 8.229 -4.077 6.897 606 HG2 GLN 86 1HG GLN 86 7.818 -3.047 9.162 607 HG3 GLN 86 2HG GLN 86 6.216 -2.610 8.571 608 HE21 GLN 86 1HE2 GLN 86 8.283 -5.490 8.348 609 HE22 GLN 86 2HE2 GLN 86 7.082 -6.603 8.898 610 H SER 87 H SER 87 6.468 -0.704 5.612 611 HA SER 87 HA SER 87 5.905 1.028 7.914 612 HB2 SER 87 1HB SER 87 7.370 2.129 6.086 613 HB3 SER 87 2HB SER 87 5.896 2.142 5.118 614 HG SER 87 HG SER 87 6.182 4.081 6.318 615 H SER 88 H SER 88 3.783 1.456 8.261 616 HA SER 88 HA SER 88 1.879 0.098 6.491 617 HB2 SER 88 1HB SER 88 0.304 0.341 8.436 618 HB3 SER 88 2HB SER 88 1.732 -0.634 8.781 619 HG SER 88 HG SER 88 1.774 0.703 10.443 620 H VAL 89 H VAL 89 -0.076 1.120 5.865 621 HA VAL 89 HA VAL 89 -0.058 4.059 6.052 622 HB VAL 89 HB VAL 89 0.728 3.549 3.840 623 HG11 VAL 89 1HG1 VAL 89 -1.676 2.132 2.930 624 HG12 VAL 89 2HG1 VAL 89 0.024 1.850 2.548 625 HG13 VAL 89 3HG1 VAL 89 -0.660 1.224 4.049 626 HG21 VAL 89 3HG2 VAL 89 -1.914 4.120 2.877 627 HG22 VAL 89 1HG2 VAL 89 -1.617 4.994 4.379 628 HG23 VAL 89 2HG2 VAL 89 -0.520 5.192 3.013 629 H ASN 90 H ASN 90 -2.018 5.043 6.315 630 HA ASN 90 HA ASN 90 -4.241 3.289 7.002 631 HB2 ASN 90 1HB ASN 90 -3.639 6.196 7.491 632 HB3 ASN 90 2HB ASN 90 -5.258 5.550 7.744 633 HD21 ASN 90 1HD2 ASN 90 -3.079 6.612 9.548 634 HD22 ASN 90 2HD2 ASN 90 -2.932 5.410 10.781 635 H VAL 91 H VAL 91 -5.643 2.763 5.469 636 HA VAL 91 HA VAL 91 -6.228 4.725 3.350 637 HB VAL 91 HB VAL 91 -6.577 1.725 3.278 638 HG11 VAL 91 1HG1 VAL 91 -8.178 3.219 1.938 639 HG12 VAL 91 2HG1 VAL 91 -6.772 3.589 0.936 640 HG13 VAL 91 3HG1 VAL 91 -7.340 1.925 1.082 641 HG21 VAL 91 3HG2 VAL 91 -4.757 2.892 1.347 642 HG22 VAL 91 1HG2 VAL 91 -4.246 3.197 3.007 643 HG23 VAL 91 2HG2 VAL 91 -4.512 1.543 2.456 644 H ILE 92 H ILE 92 -7.979 5.835 4.009 645 HA ILE 92 HA ILE 92 -10.207 4.411 5.254 646 HB ILE 92 HB ILE 92 -9.689 7.360 4.877 647 HG12 ILE 92 1HG1 ILE 92 -10.045 6.023 7.522 648 HG13 ILE 92 2HG1 ILE 92 -8.519 5.796 6.675 649 HG21 ILE 92 1HG2 ILE 92 -12.156 5.935 5.410 650 HG22 ILE 92 2HG2 ILE 92 -11.757 7.078 6.692 651 HG23 ILE 92 3HG2 ILE 92 -11.895 7.636 5.025 652 HD11 ILE 92 3HD1 ILE 92 -9.475 8.060 8.173 653 HD12 ILE 92 1HD1 ILE 92 -7.850 7.695 7.592 654 HD13 ILE 92 2HD1 ILE 92 -8.997 8.526 6.540 655 H VAL 93 H VAL 93 -12.194 4.188 4.340 656 HA VAL 93 HA VAL 93 -12.524 5.213 1.595 657 HB VAL 93 HB VAL 93 -13.441 2.563 2.715 658 HG11 VAL 93 1HG1 VAL 93 -15.175 2.872 1.309 659 HG12 VAL 93 2HG1 VAL 93 -14.342 4.126 0.388 660 HG13 VAL 93 3HG1 VAL 93 -13.996 2.425 0.077 661 HG21 VAL 93 3HG2 VAL 93 -11.814 1.555 1.470 662 HG22 VAL 93 1HG2 VAL 93 -11.787 2.840 0.262 663 HG23 VAL 93 2HG2 VAL 93 -11.002 3.081 1.823 664 H LYS 94 H LYS 94 -14.156 6.582 1.382 665 HA LYS 94 HA LYS 94 -16.381 6.434 3.308 666 HB2 LYS 94 1HB LYS 94 -14.994 8.743 2.005 667 HB3 LYS 94 2HB LYS 94 -16.686 8.906 2.457 668 HG2 LYS 94 1HG LYS 94 -16.217 8.622 4.738 669 HG3 LYS 94 2HG LYS 94 -14.600 7.997 4.412 670 HD2 LYS 94 1HD LYS 94 -14.072 10.267 3.416 671 HD3 LYS 94 2HD LYS 94 -15.596 10.822 4.114 672 HE2 LYS 94 1HE LYS 94 -13.394 9.521 5.707 673 HE3 LYS 94 2HE LYS 94 -13.562 11.265 5.513 674 HZ1 LYS 94 3HZ LYS 94 -14.658 10.875 7.481 675 HZ2 LYS 94 1HZ LYS 94 -15.293 9.390 6.978 676 HZ3 LYS 94 2HZ LYS 94 -15.941 10.833 6.380 677 H GLU 95 H GLU 95 -18.497 6.663 2.561 678 HA GLU 95 HA GLU 95 -18.913 5.747 -0.142 679 HB2 GLU 95 1HB GLU 95 -21.403 6.064 0.675 680 HB3 GLU 95 2HB GLU 95 -20.429 4.712 1.234 681 HG2 GLU 95 1HG GLU 95 -20.001 5.768 3.314 682 HG3 GLU 95 2HG GLU 95 -20.684 7.292 2.751 683 H GLU 96 H GLU 96 -20.707 6.786 -1.455 684 HA GLU 96 HA GLU 96 -19.962 9.433 -2.089 685 HB2 GLU 96 1HB GLU 96 -21.071 7.603 -3.565 686 HB3 GLU 96 2HB GLU 96 -22.583 8.234 -2.928 687 HG2 GLU 96 1HG GLU 96 -22.139 10.399 -3.849 688 HG3 GLU 96 2HG GLU 96 -20.521 9.905 -4.343 689 H SER 97 H SER 97 -20.573 11.302 -1.234 690 HA SER 97 HA SER 97 -22.720 11.329 0.733 691 HB2 SER 97 1HB SER 97 -20.465 13.176 0.039 692 HB3 SER 97 2HB SER 97 -21.849 13.800 0.936 693 HG SER 97 HG SER 97 -20.445 13.082 2.457 694 H GLY 98 H GLY 98 -24.603 11.264 -0.466 695 HA2 GLY 98 1HA GLY 98 -26.386 12.169 -1.597 696 HA3 GLY 98 2HA GLY 98 -25.601 13.731 -1.414 697 HA PRO 99 HA PRO 99 -25.621 12.279 -5.910 698 HB2 PRO 99 1HB PRO 99 -27.279 14.202 -6.872 699 HB3 PRO 99 2HB PRO 99 -27.861 12.646 -6.268 700 HG2 PRO 99 1HG PRO 99 -27.780 15.302 -4.891 701 HG3 PRO 99 2HG PRO 99 -29.072 14.089 -4.905 702 HD2 PRO 99 1HD PRO 99 -27.352 14.359 -2.832 703 HD3 PRO 99 2HD PRO 99 -28.047 12.794 -3.298 704 H SER 100 H SER 100 -23.844 12.971 -6.906 705 HA SER 100 HA SER 100 -23.317 15.854 -7.042 706 HB2 SER 100 1HB SER 100 -21.187 13.793 -6.429 707 HB3 SER 100 2HB SER 100 -20.965 15.538 -6.542 708 HG SER 100 HG SER 100 -22.765 15.408 -4.793 709 H SER 101 H SER 101 -23.491 16.280 -9.144 710 HA SER 101 HA SER 101 -22.876 14.342 -11.168 711 HB2 SER 101 1HB SER 101 -24.656 16.233 -11.232 712 HB3 SER 101 2HB SER 101 -23.311 17.268 -11.712 713 HG SER 101 HG SER 101 -24.482 16.295 -13.485 714 H GLY 102 H GLY 102 -21.489 17.496 -10.251 715 HA2 GLY 102 1HA GLY 102 -18.885 17.093 -10.186 716 HA3 GLY 102 2HA GLY 102 -19.151 16.938 -11.916 Start of MODEL 3 1 H1 GLY 1 H GLY 1 26.858 12.674 4.434 2 HA2 GLY 1 1HA GLY 1 29.508 11.499 4.006 3 HA3 GLY 1 2HA GLY 1 29.290 12.547 5.400 4 H SER 2 H SER 2 26.762 11.812 6.236 5 HA SER 2 HA SER 2 27.293 9.551 7.789 6 HB2 SER 2 1HB SER 2 24.750 9.599 8.183 7 HB3 SER 2 2HB SER 2 25.666 11.037 8.632 8 HG SER 2 HG SER 2 23.609 11.125 7.210 9 H SER 3 H SER 3 25.785 7.593 7.843 10 HA SER 3 HA SER 3 26.232 6.005 5.614 11 HB2 SER 3 1HB SER 3 24.525 4.461 6.624 12 HB3 SER 3 2HB SER 3 25.775 4.989 7.749 13 HG SER 3 HG SER 3 23.236 6.229 7.516 14 H GLY 4 H GLY 4 23.509 8.073 6.394 15 HA2 GLY 4 1HA GLY 4 22.659 8.556 3.841 16 HA3 GLY 4 2HA GLY 4 21.827 7.075 4.291 17 H SER 5 H SER 5 20.099 8.861 3.743 18 HA SER 5 HA SER 5 19.516 10.746 5.805 19 HB2 SER 5 1HB SER 5 18.045 9.734 3.390 20 HB3 SER 5 2HB SER 5 17.212 10.737 4.577 21 HG SER 5 HG SER 5 18.139 12.381 3.681 22 H SER 6 H SER 6 17.490 10.731 7.062 23 HA SER 6 HA SER 6 17.250 8.290 8.525 24 HB2 SER 6 1HB SER 6 15.619 10.836 8.694 25 HB3 SER 6 2HB SER 6 15.577 9.519 9.866 26 HG SER 6 HG SER 6 17.538 11.443 9.412 27 H GLY 7 H GLY 7 15.783 6.701 8.357 28 HA2 GLY 7 1HA GLY 7 13.251 6.461 7.844 29 HA3 GLY 7 2HA GLY 7 13.762 6.963 6.240 30 H GLN 8 H GLN 8 12.477 4.495 6.929 31 HA GLN 8 HA GLN 8 14.611 2.612 6.171 32 HB2 GLN 8 1HB GLN 8 12.311 2.238 8.074 33 HB3 GLN 8 2HB GLN 8 13.102 0.866 7.310 34 HG2 GLN 8 1HG GLN 8 14.195 1.021 9.331 35 HG3 GLN 8 2HG GLN 8 15.276 1.890 8.243 36 HE21 GLN 8 1HE2 GLN 8 13.312 2.061 11.022 37 HE22 GLN 8 2HE2 GLN 8 13.572 3.729 11.390 38 H ALA 9 H ALA 9 11.045 2.662 6.292 39 HA ALA 9 HA ALA 9 11.006 2.017 3.427 40 HB1 ALA 9 3HB ALA 9 9.835 0.099 3.647 41 HB2 ALA 9 1HB ALA 9 10.614 0.064 5.229 42 HB3 ALA 9 2HB ALA 9 8.963 0.666 5.072 43 H ASP 10 H ASP 10 9.450 3.033 2.279 44 HA ASP 10 HA ASP 10 7.509 4.655 3.792 45 HB2 ASP 10 1HB ASP 10 9.208 5.279 1.426 46 HB3 ASP 10 2HB ASP 10 7.598 5.992 1.486 47 H ALA 11 H ALA 11 5.577 3.719 3.666 48 HA ALA 11 HA ALA 11 4.813 2.249 1.264 49 HB1 ALA 11 3HB ALA 11 3.018 1.348 2.544 50 HB2 ALA 11 1HB ALA 11 4.461 1.302 3.556 51 HB3 ALA 11 2HB ALA 11 3.241 2.550 3.815 52 H GLY 12 H GLY 12 5.020 5.212 1.326 53 HA2 GLY 12 1HA GLY 12 3.879 6.883 0.207 54 HA3 GLY 12 2HA GLY 12 2.552 5.757 -0.040 55 HA PRO 13 HA PRO 13 1.710 8.986 3.379 56 HB2 PRO 13 1HB PRO 13 0.181 10.724 1.961 57 HB3 PRO 13 2HB PRO 13 1.932 10.897 2.122 58 HG2 PRO 13 1HG PRO 13 0.343 9.750 -0.141 59 HG3 PRO 13 2HG PRO 13 1.743 10.837 -0.194 60 HD2 PRO 13 1HD PRO 13 1.950 8.173 -0.631 61 HD3 PRO 13 2HD PRO 13 3.247 9.120 0.125 62 H ASP 14 H ASP 14 -0.514 9.625 4.131 63 HA ASP 14 HA ASP 14 -2.192 7.492 4.411 64 HB2 ASP 14 1HB ASP 14 -3.684 8.921 5.445 65 HB3 ASP 14 2HB ASP 14 -2.210 9.884 5.504 66 H LYS 15 H LYS 15 -3.976 6.661 3.389 67 HA LYS 15 HA LYS 15 -4.441 7.635 0.650 68 HB2 LYS 15 1HB LYS 15 -4.615 4.891 1.873 69 HB3 LYS 15 2HB LYS 15 -5.417 5.267 0.354 70 HG2 LYS 15 1HG LYS 15 -2.529 5.918 0.642 71 HG3 LYS 15 2HG LYS 15 -3.008 4.236 0.400 72 HD2 LYS 15 1HD LYS 15 -3.858 4.644 -1.708 73 HD3 LYS 15 2HD LYS 15 -4.130 6.358 -1.380 74 HE2 LYS 15 1HE LYS 15 -1.674 6.692 -1.360 75 HE3 LYS 15 2HE LYS 15 -1.470 5.000 -1.810 76 HZ1 LYS 15 3HZ LYS 15 -1.655 5.631 -3.910 77 HZ2 LYS 15 1HZ LYS 15 -2.022 7.222 -3.467 78 HZ3 LYS 15 2HZ LYS 15 -3.260 6.081 -3.621 79 H GLU 16 H GLU 16 -6.283 8.686 0.356 80 HA GLU 16 HA GLU 16 -8.602 7.951 2.020 81 HB2 GLU 16 1HB GLU 16 -7.423 10.313 2.221 82 HB3 GLU 16 2HB GLU 16 -8.389 10.665 0.794 83 HG2 GLU 16 1HG GLU 16 -10.372 9.794 2.163 84 HG3 GLU 16 2HG GLU 16 -9.308 9.972 3.557 85 H LEU 17 H LEU 17 -9.768 6.661 0.709 86 HA LEU 17 HA LEU 17 -10.216 7.496 -2.066 87 HB2 LEU 17 1HB LEU 17 -10.936 4.891 -0.735 88 HB3 LEU 17 2HB LEU 17 -11.018 5.252 -2.458 89 HG LEU 17 HG LEU 17 -8.406 5.348 -0.988 90 HD11 LEU 17 1HD1 LEU 17 -9.819 3.109 -0.825 91 HD12 LEU 17 2HD1 LEU 17 -8.075 3.103 -1.086 92 HD13 LEU 17 3HD1 LEU 17 -9.171 2.885 -2.450 93 HD21 LEU 17 3HD2 LEU 17 -8.768 4.451 -3.797 94 HD22 LEU 17 1HD2 LEU 17 -7.450 5.360 -3.057 95 HD23 LEU 17 2HD2 LEU 17 -8.971 6.167 -3.441 96 H THR 18 H THR 18 -12.342 7.530 -2.947 97 HA THR 18 HA THR 18 -14.543 7.608 -1.013 98 HB THR 18 HB THR 18 -14.092 9.797 -3.048 99 HG1 THR 18 1HG THR 18 -13.363 11.029 -1.375 100 HG21 THR 18 3HG2 THR 18 -15.931 10.123 -0.756 101 HG22 THR 18 1HG2 THR 18 -16.451 9.012 -2.021 102 HG23 THR 18 2HG2 THR 18 -16.081 10.690 -2.419 103 H LEU 19 H LEU 19 -15.974 6.178 -1.730 104 HA LEU 19 HA LEU 19 -16.140 4.878 -4.079 105 HB2 LEU 19 1HB LEU 19 -18.221 5.732 -2.133 106 HB3 LEU 19 2HB LEU 19 -18.745 5.006 -3.651 107 HG LEU 19 HG LEU 19 -18.559 3.454 -1.666 108 HD11 LEU 19 1HD1 LEU 19 -16.920 2.815 -4.115 109 HD12 LEU 19 2HD1 LEU 19 -18.669 2.646 -3.964 110 HD13 LEU 19 3HD1 LEU 19 -17.599 1.641 -2.987 111 HD21 LEU 19 3HD2 LEU 19 -15.605 3.746 -2.193 112 HD22 LEU 19 1HD2 LEU 19 -16.374 2.662 -1.033 113 HD23 LEU 19 2HD2 LEU 19 -16.450 4.408 -0.793 114 HA PRO 20 HA PRO 20 -18.127 4.068 -5.292 115 HB2 PRO 20 1HB PRO 20 -17.892 3.550 -7.947 116 HB3 PRO 20 2HB PRO 20 -19.368 4.196 -7.221 117 HG2 PRO 20 1HG PRO 20 -17.189 5.636 -8.684 118 HG3 PRO 20 2HG PRO 20 -18.945 5.838 -8.813 119 HD2 PRO 20 1HD PRO 20 -17.387 7.521 -7.373 120 HD3 PRO 20 2HD PRO 20 -19.061 7.144 -6.917 121 H VAL 21 H VAL 21 -15.394 5.842 -6.117 122 HA VAL 21 HA VAL 21 -13.611 4.075 -7.238 123 HB VAL 21 HB VAL 21 -12.958 6.012 -5.014 124 HG11 VAL 21 1HG1 VAL 21 -10.838 6.005 -6.714 125 HG12 VAL 21 2HG1 VAL 21 -10.943 5.044 -5.238 126 HG13 VAL 21 3HG1 VAL 21 -11.353 4.321 -6.794 127 HG21 VAL 21 3HG2 VAL 21 -13.384 7.694 -6.402 128 HG22 VAL 21 1HG2 VAL 21 -12.344 6.982 -7.636 129 HG23 VAL 21 2HG2 VAL 21 -14.048 6.537 -7.556 130 H ASP 22 H ASP 22 -13.851 1.961 -6.570 131 HA ASP 22 HA ASP 22 -13.231 1.384 -3.752 132 HB2 ASP 22 1HB ASP 22 -14.102 -0.972 -4.505 133 HB3 ASP 22 2HB ASP 22 -15.248 0.317 -4.145 134 H SER 23 H SER 23 -11.137 2.093 -5.459 135 HA SER 23 HA SER 23 -9.481 -0.254 -5.224 136 HB2 SER 23 1HB SER 23 -8.758 -0.286 -7.572 137 HB3 SER 23 2HB SER 23 -10.487 -0.611 -7.442 138 HG SER 23 HG SER 23 -9.281 1.296 -8.833 139 H THR 24 H THR 24 -7.283 0.219 -5.185 140 HA THR 24 HA THR 24 -6.417 2.951 -5.703 141 HB THR 24 HB THR 24 -7.205 2.830 -3.293 142 HG1 THR 24 1HG THR 24 -5.638 4.234 -2.773 143 HG21 THR 24 3HG2 THR 24 -5.555 1.804 -1.715 144 HG22 THR 24 1HG2 THR 24 -4.793 1.026 -3.101 145 HG23 THR 24 2HG2 THR 24 -6.460 0.635 -2.677 146 H THR 25 H THR 25 -3.974 3.121 -5.159 147 HA THR 25 HA THR 25 -2.619 0.580 -5.753 148 HB THR 25 HB THR 25 -1.059 1.891 -7.261 149 HG1 THR 25 1HG THR 25 -2.414 3.770 -8.189 150 HG21 THR 25 3HG2 THR 25 -2.476 0.434 -8.394 151 HG22 THR 25 1HG2 THR 25 -2.834 1.986 -9.149 152 HG23 THR 25 2HG2 THR 25 -3.925 1.325 -7.931 153 H LEU 26 H LEU 26 -1.005 0.188 -4.392 154 HA LEU 26 HA LEU 26 0.031 2.399 -2.767 155 HB2 LEU 26 1HB LEU 26 0.320 -0.572 -2.350 156 HB3 LEU 26 2HB LEU 26 0.809 0.696 -1.227 157 HG LEU 26 HG LEU 26 -2.059 0.360 -2.047 158 HD11 LEU 26 1HD1 LEU 26 -0.506 -1.536 -0.601 159 HD12 LEU 26 2HD1 LEU 26 -2.234 -1.554 -0.948 160 HD13 LEU 26 3HD1 LEU 26 -1.637 -0.764 0.511 161 HD21 LEU 26 3HD2 LEU 26 -1.942 2.332 -0.911 162 HD22 LEU 26 1HD2 LEU 26 -0.532 1.838 0.026 163 HD23 LEU 26 2HD2 LEU 26 -2.132 1.232 0.455 164 H ASP 27 H ASP 27 1.478 3.236 -4.314 165 HA ASP 27 HA ASP 27 3.545 1.554 -5.421 166 HB2 ASP 27 1HB ASP 27 2.898 3.293 -6.863 167 HB3 ASP 27 2HB ASP 27 2.919 4.491 -5.572 168 H GLY 28 H GLY 28 5.217 0.906 -4.242 169 HA2 GLY 28 1HA GLY 28 6.142 2.621 -2.037 170 HA3 GLY 28 2HA GLY 28 6.438 0.894 -2.178 171 H SER 29 H SER 29 6.832 2.748 -5.036 172 HA SER 29 HA SER 29 9.624 2.097 -5.147 173 HB2 SER 29 1HB SER 29 7.646 3.370 -6.983 174 HB3 SER 29 2HB SER 29 9.360 3.661 -7.283 175 HG SER 29 HG SER 29 8.555 1.800 -8.381 176 H LYS 30 H LYS 30 8.168 4.327 -3.377 177 HA LYS 30 HA LYS 30 10.152 6.438 -3.890 178 HB2 LYS 30 1HB LYS 30 7.467 6.499 -2.516 179 HB3 LYS 30 2HB LYS 30 8.615 7.827 -2.416 180 HG2 LYS 30 1HG LYS 30 7.677 6.760 -5.055 181 HG3 LYS 30 2HG LYS 30 6.763 7.977 -4.163 182 HD2 LYS 30 1HD LYS 30 8.667 9.477 -4.198 183 HD3 LYS 30 2HD LYS 30 9.652 8.246 -4.992 184 HE2 LYS 30 1HE LYS 30 7.209 9.610 -6.117 185 HE3 LYS 30 2HE LYS 30 8.879 9.860 -6.621 186 HZ1 LYS 30 3HZ LYS 30 7.355 7.324 -6.879 187 HZ2 LYS 30 1HZ LYS 30 8.961 7.558 -7.356 188 HZ3 LYS 30 2HZ LYS 30 7.716 8.393 -8.140 189 H SER 31 H SER 31 11.125 4.219 -2.629 190 HA SER 31 HA SER 31 10.965 4.100 0.138 191 HB2 SER 31 1HB SER 31 12.866 2.745 0.071 192 HB3 SER 31 2HB SER 31 12.217 2.566 -1.559 193 HG SER 31 HG SER 31 14.007 3.371 -2.278 194 H SER 32 H SER 32 13.275 4.494 1.376 195 HA SER 32 HA SER 32 13.312 7.176 2.042 196 HB2 SER 32 1HB SER 32 14.337 5.179 3.296 197 HB3 SER 32 2HB SER 32 15.760 5.433 2.286 198 HG SER 32 HG SER 32 16.080 6.625 4.109 199 H ASP 33 H ASP 33 15.320 8.611 1.895 200 HA ASP 33 HA ASP 33 15.759 9.233 -0.842 201 HB2 ASP 33 1HB ASP 33 17.373 10.316 1.463 202 HB3 ASP 33 2HB ASP 33 16.999 11.101 -0.069 203 H ASP 34 H ASP 34 17.738 9.258 -1.999 204 HA ASP 34 HA ASP 34 19.423 7.949 -2.898 205 HB2 ASP 34 1HB ASP 34 20.563 8.805 -0.229 206 HB3 ASP 34 2HB ASP 34 21.514 8.234 -1.597 207 H GLN 35 H GLN 35 17.492 6.314 -1.574 208 HA GLN 35 HA GLN 35 19.240 4.140 -0.628 209 HB2 GLN 35 1HB GLN 35 16.694 5.192 0.492 210 HB3 GLN 35 2HB GLN 35 16.936 3.450 0.538 211 HG2 GLN 35 1HG GLN 35 19.255 4.105 1.555 212 HG3 GLN 35 2HG GLN 35 18.423 5.611 1.943 213 HE21 GLN 35 1HE2 GLN 35 18.484 5.274 4.141 214 HE22 GLN 35 2HE2 GLN 35 17.533 4.067 4.931 215 H LYS 36 H LYS 36 19.070 2.254 -1.673 216 HA LYS 36 HA LYS 36 16.873 1.962 -3.614 217 HB2 LYS 36 1HB LYS 36 18.358 0.640 -4.983 218 HB3 LYS 36 2HB LYS 36 19.145 2.165 -4.599 219 HG2 LYS 36 1HG LYS 36 20.877 0.757 -4.212 220 HG3 LYS 36 2HG LYS 36 20.138 0.729 -2.609 221 HD2 LYS 36 1HD LYS 36 19.306 -1.392 -2.882 222 HD3 LYS 36 2HD LYS 36 19.212 -1.245 -4.639 223 HE2 LYS 36 1HE LYS 36 21.848 -1.098 -4.387 224 HE3 LYS 36 2HE LYS 36 21.508 -1.991 -2.905 225 HZ1 LYS 36 3HZ LYS 36 20.241 -3.589 -4.312 226 HZ2 LYS 36 1HZ LYS 36 21.904 -3.558 -4.620 227 HZ3 LYS 36 2HZ LYS 36 20.834 -2.790 -5.681 228 H ILE 37 H ILE 37 15.702 0.092 -3.672 229 HA ILE 37 HA ILE 37 16.307 -1.892 -1.577 230 HB ILE 37 HB ILE 37 13.539 -1.577 -2.649 231 HG12 ILE 37 1HG1 ILE 37 14.156 0.710 -2.109 232 HG13 ILE 37 2HG1 ILE 37 13.057 0.094 -0.879 233 HG21 ILE 37 1HG2 ILE 37 13.099 -2.128 -0.176 234 HG22 ILE 37 2HG2 ILE 37 13.746 -3.398 -1.213 235 HG23 ILE 37 3HG2 ILE 37 14.814 -2.530 -0.111 236 HD11 ILE 37 3HD1 ILE 37 15.186 1.449 -0.219 237 HD12 ILE 37 1HD1 ILE 37 14.672 0.061 0.739 238 HD13 ILE 37 2HD1 ILE 37 15.989 -0.107 -0.423 239 H ILE 38 H ILE 38 15.590 -4.096 -2.021 240 HA ILE 38 HA ILE 38 15.386 -4.721 -4.887 241 HB ILE 38 HB ILE 38 16.896 -6.629 -4.606 242 HG12 ILE 38 1HG1 ILE 38 17.839 -5.569 -1.977 243 HG13 ILE 38 2HG1 ILE 38 16.396 -6.577 -2.003 244 HG21 ILE 38 1HG2 ILE 38 17.669 -3.844 -4.415 245 HG22 ILE 38 2HG2 ILE 38 18.905 -4.920 -3.765 246 HG23 ILE 38 3HG2 ILE 38 18.331 -5.133 -5.419 247 HD11 ILE 38 3HD1 ILE 38 19.040 -7.393 -3.178 248 HD12 ILE 38 1HD1 ILE 38 18.504 -7.803 -1.549 249 HD13 ILE 38 2HD1 ILE 38 17.611 -8.400 -2.948 250 H SER 39 H SER 39 13.429 -4.628 -2.669 251 HA SER 39 HA SER 39 12.147 -7.137 -3.212 252 HB2 SER 39 1HB SER 39 13.756 -7.634 -1.301 253 HB3 SER 39 2HB SER 39 12.765 -6.563 -0.312 254 HG SER 39 HG SER 39 12.224 -8.867 -0.242 255 H TYR 40 H TYR 40 9.970 -6.975 -3.037 256 HA TYR 40 HA TYR 40 8.824 -4.750 -1.524 257 HB2 TYR 40 1HB TYR 40 8.268 -5.270 -4.451 258 HB3 TYR 40 2HB TYR 40 7.378 -4.134 -3.443 259 HD1 TYR 40 1HD TYR 40 8.867 -2.322 -2.238 260 HD2 TYR 40 2HD TYR 40 10.041 -4.483 -5.710 261 HE1 TYR 40 1HE TYR 40 10.498 -0.561 -2.775 262 HE2 TYR 40 2HE TYR 40 11.675 -2.729 -6.256 263 HH TYR 40 HH TYR 40 12.878 -0.661 -4.301 264 H LEU 41 H LEU 41 7.133 -5.400 -0.373 265 HA LEU 41 HA LEU 41 5.446 -7.571 -1.373 266 HB2 LEU 41 1HB LEU 41 7.159 -8.563 0.106 267 HB3 LEU 41 2HB LEU 41 6.605 -7.514 1.409 268 HG LEU 41 HG LEU 41 4.377 -8.644 1.263 269 HD11 LEU 41 1HD1 LEU 41 4.559 -9.479 -1.020 270 HD12 LEU 41 2HD1 LEU 41 4.253 -10.794 0.115 271 HD13 LEU 41 3HD1 LEU 41 5.875 -10.548 -0.533 272 HD21 LEU 41 3HD2 LEU 41 6.659 -10.531 1.819 273 HD22 LEU 41 1HD2 LEU 41 5.047 -10.550 2.534 274 HD23 LEU 41 2HD2 LEU 41 6.163 -9.236 2.909 275 H TRP 42 H TRP 42 3.323 -7.325 -0.918 276 HA TRP 42 HA TRP 42 2.565 -5.220 0.995 277 HB2 TRP 42 1HB TRP 42 1.507 -5.660 -1.798 278 HB3 TRP 42 2HB TRP 42 0.658 -4.691 -0.597 279 HD1 TRP 42 HD TRP 42 3.692 -4.626 -2.898 280 HE1 TRP 42 1HE TRP 42 4.650 -2.238 -2.945 281 HE3 TRP 42 3HE TRP 42 0.886 -2.551 0.838 282 HZ2 TRP 42 2HZ TRP 42 4.268 0.203 -1.580 283 HZ3 TRP 42 3HZ TRP 42 1.244 -0.184 1.406 284 HH2 TRP 42 HH TRP 42 2.901 1.163 0.221 285 H GLU 43 H GLU 43 1.065 -5.802 2.435 286 HA GLU 43 HA GLU 43 -0.885 -7.853 1.826 287 HB2 GLU 43 1HB GLU 43 1.152 -8.237 4.026 288 HB3 GLU 43 2HB GLU 43 -0.290 -9.220 3.815 289 HG2 GLU 43 1HG GLU 43 0.560 -9.834 1.548 290 HG3 GLU 43 2HG GLU 43 2.062 -9.007 1.956 291 H LYS 44 H LYS 44 -2.698 -7.756 3.119 292 HA LYS 44 HA LYS 44 -3.017 -5.315 4.628 293 HB2 LYS 44 1HB LYS 44 -4.763 -6.225 3.074 294 HB3 LYS 44 2HB LYS 44 -5.016 -7.542 4.212 295 HG2 LYS 44 1HG LYS 44 -5.437 -5.651 5.929 296 HG3 LYS 44 2HG LYS 44 -5.677 -4.644 4.499 297 HD2 LYS 44 1HD LYS 44 -7.196 -7.135 5.258 298 HD3 LYS 44 2HD LYS 44 -7.812 -5.482 5.202 299 HE2 LYS 44 1HE LYS 44 -7.645 -5.412 2.834 300 HE3 LYS 44 2HE LYS 44 -6.715 -6.910 2.790 301 HZ1 LYS 44 3HZ LYS 44 -9.289 -6.857 2.299 302 HZ2 LYS 44 1HZ LYS 44 -9.381 -7.010 3.981 303 HZ3 LYS 44 2HZ LYS 44 -8.561 -8.175 3.070 304 H THR 45 H THR 45 -2.413 -5.197 6.681 305 HA THR 45 HA THR 45 -2.183 -7.569 8.318 306 HB THR 45 HB THR 45 -1.548 -5.771 10.094 307 HG1 THR 45 1HG THR 45 -0.917 -4.200 7.850 308 HG21 THR 45 3HG2 THR 45 0.714 -5.829 9.381 309 HG22 THR 45 1HG2 THR 45 0.251 -6.005 7.689 310 HG23 THR 45 2HG2 THR 45 -0.015 -7.333 8.818 311 H GLN 46 H GLN 46 -4.206 -4.677 8.181 312 HA GLN 46 HA GLN 46 -6.093 -6.004 9.998 313 HB2 GLN 46 1HB GLN 46 -4.831 -3.332 10.296 314 HB3 GLN 46 2HB GLN 46 -6.540 -3.454 10.692 315 HG2 GLN 46 1HG GLN 46 -6.132 -5.054 12.382 316 HG3 GLN 46 2HG GLN 46 -4.467 -5.289 11.853 317 HE21 GLN 46 1HE2 GLN 46 -2.939 -4.177 12.851 318 HE22 GLN 46 2HE2 GLN 46 -3.192 -2.811 13.879 319 H GLY 47 H GLY 47 -8.306 -5.180 9.826 320 HA2 GLY 47 1HA GLY 47 -9.853 -3.724 8.586 321 HA3 GLY 47 2HA GLY 47 -8.835 -3.982 7.177 322 HA PRO 48 HA PRO 48 -12.421 -7.078 7.431 323 HB2 PRO 48 1HB PRO 48 -13.896 -6.096 5.374 324 HB3 PRO 48 2HB PRO 48 -14.115 -5.573 7.049 325 HG2 PRO 48 1HG PRO 48 -12.608 -4.242 4.831 326 HG3 PRO 48 2HG PRO 48 -13.692 -3.523 6.036 327 HD2 PRO 48 1HD PRO 48 -10.995 -3.420 6.256 328 HD3 PRO 48 2HD PRO 48 -12.066 -3.502 7.670 329 H ASP 49 H ASP 49 -11.437 -8.822 6.585 330 HA ASP 49 HA ASP 49 -9.902 -8.862 4.232 331 HB2 ASP 49 1HB ASP 49 -11.304 -11.159 5.619 332 HB3 ASP 49 2HB ASP 49 -10.021 -11.315 4.421 333 H GLY 50 H GLY 50 -10.480 -8.829 2.165 334 HA2 GLY 50 1HA GLY 50 -12.462 -10.329 0.955 335 HA3 GLY 50 2HA GLY 50 -13.218 -8.801 1.381 336 H VAL 51 H VAL 51 -10.543 -7.447 0.997 337 HA VAL 51 HA VAL 51 -10.950 -6.684 -1.713 338 HB VAL 51 HB VAL 51 -9.193 -5.141 -1.431 339 HG11 VAL 51 1HG1 VAL 51 -9.664 -4.080 0.723 340 HG12 VAL 51 2HG1 VAL 51 -11.144 -4.650 -0.052 341 HG13 VAL 51 3HG1 VAL 51 -10.439 -5.561 1.284 342 HG21 VAL 51 3HG2 VAL 51 -8.135 -7.168 0.440 343 HG22 VAL 51 1HG2 VAL 51 -7.291 -6.134 -0.713 344 HG23 VAL 51 2HG2 VAL 51 -7.808 -5.482 0.841 345 H GLN 52 H GLN 52 -9.097 -6.631 -3.302 346 HA GLN 52 HA GLN 52 -7.593 -9.162 -3.218 347 HB2 GLN 52 1HB GLN 52 -8.982 -7.885 -5.576 348 HB3 GLN 52 2HB GLN 52 -7.851 -9.225 -5.714 349 HG2 GLN 52 1HG GLN 52 -9.354 -10.527 -4.192 350 HG3 GLN 52 2HG GLN 52 -10.522 -9.214 -4.337 351 HE21 GLN 52 1HE2 GLN 52 -12.108 -9.944 -5.568 352 HE22 GLN 52 2HE2 GLN 52 -11.924 -10.727 -7.096 353 H LEU 53 H LEU 53 -5.465 -8.933 -3.375 354 HA LEU 53 HA LEU 53 -4.401 -6.360 -4.310 355 HB2 LEU 53 1HB LEU 53 -3.529 -8.373 -2.321 356 HB3 LEU 53 2HB LEU 53 -2.263 -7.531 -3.213 357 HG LEU 53 HG LEU 53 -4.380 -5.899 -1.905 358 HD11 LEU 53 1HD1 LEU 53 -3.503 -6.058 0.238 359 HD12 LEU 53 2HD1 LEU 53 -2.021 -6.835 -0.317 360 HD13 LEU 53 3HD1 LEU 53 -3.536 -7.736 -0.306 361 HD21 LEU 53 3HD2 LEU 53 -1.404 -5.487 -2.052 362 HD22 LEU 53 1HD2 LEU 53 -2.661 -4.288 -1.748 363 HD23 LEU 53 2HD2 LEU 53 -2.501 -5.011 -3.349 364 H GLU 54 H GLU 54 -3.415 -6.257 -6.211 365 HA GLU 54 HA GLU 54 -2.549 -8.769 -7.475 366 HB2 GLU 54 1HB GLU 54 -3.666 -6.215 -8.541 367 HB3 GLU 54 2HB GLU 54 -2.561 -7.131 -9.556 368 HG2 GLU 54 1HG GLU 54 -4.017 -8.871 -9.819 369 HG3 GLU 54 2HG GLU 54 -4.835 -8.562 -8.288 370 H ASN 55 H ASN 55 -0.487 -9.033 -8.163 371 HA ASN 55 HA ASN 55 1.762 -8.720 -8.290 372 HB2 ASN 55 1HB ASN 55 0.663 -6.047 -9.060 373 HB3 ASN 55 2HB ASN 55 2.400 -6.218 -8.830 374 HD21 ASN 55 1HD2 ASN 55 -0.266 -6.819 -10.868 375 HD22 ASN 55 2HD2 ASN 55 0.592 -7.613 -12.141 376 H ALA 56 H ALA 56 0.522 -8.583 -5.699 377 HA ALA 56 HA ALA 56 1.387 -6.514 -4.068 378 HB1 ALA 56 3HB ALA 56 0.910 -7.886 -2.252 379 HB2 ALA 56 1HB ALA 56 -0.123 -8.529 -3.529 380 HB3 ALA 56 2HB ALA 56 1.380 -9.353 -3.111 381 H ASN 57 H ASN 57 3.170 -9.189 -5.418 382 HA ASN 57 HA ASN 57 5.471 -8.776 -3.717 383 HB2 ASN 57 1HB ASN 57 5.167 -10.499 -6.187 384 HB3 ASN 57 2HB ASN 57 6.512 -10.549 -5.052 385 HD21 ASN 57 1HD2 ASN 57 5.968 -11.092 -2.803 386 HD22 ASN 57 2HD2 ASN 57 4.706 -12.239 -2.522 387 H SER 58 H SER 58 4.388 -6.679 -5.635 388 HA SER 58 HA SER 58 6.927 -6.157 -7.038 389 HB2 SER 58 1HB SER 58 5.791 -5.250 -8.878 390 HB3 SER 58 2HB SER 58 4.810 -6.651 -8.452 391 HG SER 58 HG SER 58 3.841 -4.372 -8.778 392 H SER 59 H SER 59 7.272 -3.788 -7.478 393 HA SER 59 HA SER 59 7.286 -2.365 -5.053 394 HB2 SER 59 1HB SER 59 8.161 -0.493 -6.356 395 HB3 SER 59 2HB SER 59 8.923 -1.997 -6.874 396 HG SER 59 HG SER 59 8.168 -1.635 -8.789 397 H VAL 60 H VAL 60 4.909 -2.661 -7.510 398 HA VAL 60 HA VAL 60 3.317 -0.546 -6.215 399 HB VAL 60 HB VAL 60 3.204 -1.268 -9.146 400 HG11 VAL 60 1HG1 VAL 60 1.976 1.062 -9.051 401 HG12 VAL 60 2HG1 VAL 60 1.112 -0.441 -8.722 402 HG13 VAL 60 3HG1 VAL 60 1.662 0.571 -7.387 403 HG21 VAL 60 3HG2 VAL 60 4.088 1.174 -9.304 404 HG22 VAL 60 1HG2 VAL 60 4.671 0.876 -7.666 405 HG23 VAL 60 2HG2 VAL 60 5.220 -0.143 -8.996 406 H ALA 61 H ALA 61 1.851 -1.601 -5.031 407 HA ALA 61 HA ALA 61 0.628 -4.044 -6.086 408 HB1 ALA 61 3HB ALA 61 0.638 -2.821 -3.335 409 HB2 ALA 61 1HB ALA 61 -0.316 -4.239 -3.770 410 HB3 ALA 61 2HB ALA 61 1.444 -4.297 -3.867 411 H THR 62 H THR 62 -1.509 -4.222 -6.563 412 HA THR 62 HA THR 62 -3.090 -1.738 -6.443 413 HB THR 62 HB THR 62 -3.197 -4.025 -8.412 414 HG1 THR 62 1HG THR 62 -2.045 -2.677 -9.552 415 HG21 THR 62 3HG2 THR 62 -5.143 -1.784 -7.925 416 HG22 THR 62 1HG2 THR 62 -5.469 -3.510 -8.073 417 HG23 THR 62 2HG2 THR 62 -5.004 -2.576 -9.495 418 H VAL 63 H VAL 63 -4.785 -1.726 -5.129 419 HA VAL 63 HA VAL 63 -5.842 -4.299 -4.170 420 HB VAL 63 HB VAL 63 -5.960 -1.547 -2.934 421 HG11 VAL 63 1HG1 VAL 63 -7.189 -4.122 -1.955 422 HG12 VAL 63 2HG1 VAL 63 -7.128 -2.604 -1.057 423 HG13 VAL 63 3HG1 VAL 63 -8.064 -2.711 -2.548 424 HG21 VAL 63 3HG2 VAL 63 -4.821 -3.964 -1.612 425 HG22 VAL 63 1HG2 VAL 63 -3.872 -3.138 -2.848 426 HG23 VAL 63 2HG2 VAL 63 -4.399 -2.264 -1.409 427 H THR 64 H THR 64 -7.802 -4.917 -4.785 428 HA THR 64 HA THR 64 -9.673 -2.872 -5.789 429 HB THR 64 HB THR 64 -10.445 -4.309 -7.497 430 HG1 THR 64 1HG THR 64 -10.275 -6.436 -7.397 431 HG21 THR 64 3HG2 THR 64 -7.601 -5.103 -7.714 432 HG22 THR 64 1HG2 THR 64 -7.931 -3.379 -7.550 433 HG23 THR 64 2HG2 THR 64 -8.642 -4.291 -8.882 434 H GLY 65 H GLY 65 -11.929 -3.314 -5.498 435 HA2 GLY 65 1HA GLY 65 -13.779 -4.235 -4.450 436 HA3 GLY 65 2HA GLY 65 -12.759 -5.547 -3.879 437 H LEU 66 H LEU 66 -12.531 -2.035 -3.379 438 HA LEU 66 HA LEU 66 -12.251 -2.512 -0.516 439 HB2 LEU 66 1HB LEU 66 -11.864 -0.057 -2.216 440 HB3 LEU 66 2HB LEU 66 -11.706 -0.065 -0.461 441 HG LEU 66 HG LEU 66 -10.035 -1.878 -2.169 442 HD11 LEU 66 1HD1 LEU 66 -8.592 -0.267 -2.775 443 HD12 LEU 66 2HD1 LEU 66 -8.825 0.650 -1.286 444 HD13 LEU 66 3HD1 LEU 66 -9.993 0.790 -2.600 445 HD21 LEU 66 3HD2 LEU 66 -10.360 -1.623 0.548 446 HD22 LEU 66 1HD2 LEU 66 -8.913 -0.666 0.230 447 HD23 LEU 66 2HD2 LEU 66 -8.976 -2.358 -0.263 448 H GLN 67 H GLN 67 -13.491 -1.375 1.049 449 HA GLN 67 HA GLN 67 -15.927 -0.060 0.131 450 HB2 GLN 67 1HB GLN 67 -17.404 -1.453 1.391 451 HB3 GLN 67 2HB GLN 67 -16.423 -2.506 0.381 452 HG2 GLN 67 1HG GLN 67 -15.021 -3.066 2.271 453 HG3 GLN 67 2HG GLN 67 -15.922 -1.949 3.296 454 HE21 GLN 67 1HE2 GLN 67 -15.482 -4.868 3.472 455 HE22 GLN 67 2HE2 GLN 67 -17.061 -5.563 3.563 456 H VAL 68 H VAL 68 -17.129 0.950 1.952 457 HA VAL 68 HA VAL 68 -15.672 2.713 3.400 458 HB VAL 68 HB VAL 68 -18.274 1.442 4.260 459 HG11 VAL 68 1HG1 VAL 68 -17.030 4.028 5.190 460 HG12 VAL 68 2HG1 VAL 68 -18.597 3.381 5.681 461 HG13 VAL 68 3HG1 VAL 68 -17.113 2.540 6.133 462 HG21 VAL 68 3HG2 VAL 68 -19.064 3.771 3.377 463 HG22 VAL 68 1HG2 VAL 68 -17.553 3.718 2.469 464 HG23 VAL 68 2HG2 VAL 68 -18.760 2.452 2.246 465 H GLY 69 H GLY 69 -13.986 2.317 4.686 466 HA2 GLY 69 1HA GLY 69 -14.140 1.290 7.223 467 HA3 GLY 69 2HA GLY 69 -13.740 -0.094 6.217 468 H THR 70 H THR 70 -11.915 0.307 7.987 469 HA THR 70 HA THR 70 -9.839 2.017 6.793 470 HB THR 70 HB THR 70 -8.711 1.385 9.119 471 HG1 THR 70 1HG THR 70 -10.679 0.077 9.606 472 HG21 THR 70 3HG2 THR 70 -10.882 3.458 8.784 473 HG22 THR 70 1HG2 THR 70 -9.178 3.655 8.375 474 HG23 THR 70 2HG2 THR 70 -9.663 3.455 10.059 475 H TYR 71 H TYR 71 -8.242 1.071 5.721 476 HA TYR 71 HA TYR 71 -7.704 -1.781 6.232 477 HB2 TYR 71 1HB TYR 71 -7.470 -0.160 3.696 478 HB3 TYR 71 2HB TYR 71 -6.774 -1.767 3.873 479 HD1 TYR 71 1HD TYR 71 -9.878 0.149 3.557 480 HD2 TYR 71 2HD TYR 71 -8.194 -3.736 3.975 481 HE1 TYR 71 1HE TYR 71 -12.032 -0.847 2.913 482 HE2 TYR 71 2HE TYR 71 -10.343 -4.743 3.330 483 HH TYR 71 HH TYR 71 -12.368 -4.276 2.323 484 H VAL 72 H VAL 72 -5.726 -2.361 6.874 485 HA VAL 72 HA VAL 72 -3.608 -0.311 6.824 486 HB VAL 72 HB VAL 72 -3.774 -2.624 8.753 487 HG11 VAL 72 1HG1 VAL 72 -2.314 -0.097 9.303 488 HG12 VAL 72 2HG1 VAL 72 -1.942 -1.751 9.794 489 HG13 VAL 72 3HG1 VAL 72 -1.609 -1.223 8.144 490 HG21 VAL 72 3HG2 VAL 72 -5.722 -1.101 8.991 491 HG22 VAL 72 1HG2 VAL 72 -4.663 -1.114 10.402 492 HG23 VAL 72 2HG2 VAL 72 -4.600 0.232 9.264 493 H PHE 73 H PHE 73 -2.409 -0.781 5.068 494 HA PHE 73 HA PHE 73 -1.646 -3.570 4.580 495 HB2 PHE 73 1HB PHE 73 -1.323 -1.134 2.815 496 HB3 PHE 73 2HB PHE 73 -0.912 -2.786 2.367 497 HD1 PHE 73 1HD PHE 73 -2.680 -4.450 2.006 498 HD2 PHE 73 2HD PHE 73 -3.577 -0.364 2.796 499 HE1 PHE 73 1HE PHE 73 -4.972 -4.797 1.181 500 HE2 PHE 73 2HE PHE 73 -5.871 -0.705 1.973 501 HZ PHE 73 HZ PHE 73 -6.571 -2.924 1.165 502 H THR 74 H THR 74 0.283 -4.269 5.189 503 HA THR 74 HA THR 74 2.321 -2.319 5.968 504 HB THR 74 HB THR 74 2.012 -5.264 6.544 505 HG1 THR 74 1HG THR 74 0.977 -3.344 7.759 506 HG21 THR 74 3HG2 THR 74 4.300 -5.219 6.406 507 HG22 THR 74 1HG2 THR 74 4.091 -4.667 8.067 508 HG23 THR 74 2HG2 THR 74 4.399 -3.499 6.782 509 H LEU 75 H LEU 75 4.168 -2.030 4.875 510 HA LEU 75 HA LEU 75 4.649 -3.748 2.539 511 HB2 LEU 75 1HB LEU 75 4.416 -1.569 1.774 512 HB3 LEU 75 2HB LEU 75 5.269 -0.889 3.158 513 HG LEU 75 HG LEU 75 7.380 -1.858 2.231 514 HD11 LEU 75 1HD1 LEU 75 6.937 -2.158 -0.420 515 HD12 LEU 75 2HD1 LEU 75 5.463 -2.862 0.244 516 HD13 LEU 75 3HD1 LEU 75 7.037 -3.493 0.729 517 HD21 LEU 75 3HD2 LEU 75 6.117 0.489 1.651 518 HD22 LEU 75 1HD2 LEU 75 6.451 -0.152 0.043 519 HD23 LEU 75 2HD2 LEU 75 7.771 0.086 1.189 520 H THR 76 H THR 76 5.979 -5.354 3.143 521 HA THR 76 HA THR 76 8.255 -4.768 4.883 522 HB THR 76 HB THR 76 7.362 -7.456 3.828 523 HG1 THR 76 1HG THR 76 5.738 -6.579 5.145 524 HG21 THR 76 3HG2 THR 76 9.529 -6.524 5.593 525 HG22 THR 76 1HG2 THR 76 9.416 -7.983 4.610 526 HG23 THR 76 2HG2 THR 76 8.620 -7.915 6.182 527 H VAL 77 H VAL 77 10.000 -4.031 3.854 528 HA VAL 77 HA VAL 77 10.774 -5.327 1.321 529 HB VAL 77 HB VAL 77 11.654 -3.337 0.496 530 HG11 VAL 77 1HG1 VAL 77 9.506 -1.981 2.016 531 HG12 VAL 77 2HG1 VAL 77 9.803 -2.042 0.278 532 HG13 VAL 77 3HG1 VAL 77 9.051 -3.413 1.094 533 HG21 VAL 77 3HG2 VAL 77 13.017 -2.324 1.985 534 HG22 VAL 77 1HG2 VAL 77 11.608 -1.296 2.254 535 HG23 VAL 77 2HG2 VAL 77 11.942 -2.640 3.347 536 H LYS 78 H LYS 78 13.193 -5.136 0.905 537 HA LYS 78 HA LYS 78 14.811 -5.210 3.330 538 HB2 LYS 78 1HB LYS 78 14.203 -7.551 1.598 539 HB3 LYS 78 2HB LYS 78 15.853 -7.387 2.183 540 HG2 LYS 78 1HG LYS 78 15.127 -7.447 4.457 541 HG3 LYS 78 2HG LYS 78 13.432 -7.369 3.970 542 HD2 LYS 78 1HD LYS 78 15.145 -9.597 2.960 543 HD3 LYS 78 2HD LYS 78 14.532 -9.660 4.614 544 HE2 LYS 78 1HE LYS 78 12.247 -9.108 3.497 545 HE3 LYS 78 2HE LYS 78 13.029 -9.691 2.028 546 HZ1 LYS 78 3HZ LYS 78 12.511 -11.727 2.688 547 HZ2 LYS 78 1HZ LYS 78 11.956 -11.178 4.188 548 HZ3 LYS 78 2HZ LYS 78 13.591 -11.558 3.979 549 H ASP 79 H ASP 79 16.976 -4.751 3.001 550 HA ASP 79 HA ASP 79 17.623 -3.749 0.318 551 HB2 ASP 79 1HB ASP 79 19.033 -3.148 2.925 552 HB3 ASP 79 2HB ASP 79 19.272 -2.335 1.380 553 H GLU 80 H GLU 80 20.093 -3.817 -0.122 554 HA GLU 80 HA GLU 80 20.863 -6.417 -0.597 555 HB2 GLU 80 1HB GLU 80 22.365 -3.837 -0.425 556 HB3 GLU 80 2HB GLU 80 23.266 -5.337 -0.598 557 HG2 GLU 80 1HG GLU 80 21.701 -5.795 -2.588 558 HG3 GLU 80 2HG GLU 80 21.334 -4.073 -2.498 559 H ARG 81 H ARG 81 21.395 -4.460 2.260 560 HA ARG 81 HA ARG 81 23.164 -6.407 3.468 561 HB2 ARG 81 1HB ARG 81 22.029 -3.765 4.333 562 HB3 ARG 81 2HB ARG 81 22.812 -4.825 5.497 563 HG2 ARG 81 1HG ARG 81 24.879 -4.723 4.307 564 HG3 ARG 81 2HG ARG 81 24.120 -3.866 2.964 565 HD2 ARG 81 1HD ARG 81 23.493 -2.147 4.856 566 HD3 ARG 81 2HD ARG 81 24.873 -2.880 5.672 567 HE ARG 81 HE ARG 81 25.835 -2.297 3.208 568 HH11 ARG 81 2HH1 ARG 81 24.179 -0.442 5.645 569 HH12 ARG 81 1HH1 ARG 81 24.942 1.052 5.212 570 HH21 ARG 81 2HH2 ARG 81 26.846 -0.336 2.628 571 HH22 ARG 81 1HH2 ARG 81 26.458 1.111 3.496 572 H ASN 82 H ASN 82 20.323 -7.054 2.740 573 HA ASN 82 HA ASN 82 18.526 -8.169 3.588 574 HB2 ASN 82 1HB ASN 82 20.359 -9.754 4.141 575 HB3 ASN 82 2HB ASN 82 20.507 -8.992 5.722 576 HD21 ASN 82 1HD2 ASN 82 19.662 -10.226 7.223 577 HD22 ASN 82 2HD2 ASN 82 18.198 -11.134 7.095 578 H LEU 83 H LEU 83 18.962 -5.417 4.493 579 HA LEU 83 HA LEU 83 18.273 -5.230 7.253 580 HB2 LEU 83 1HB LEU 83 18.369 -3.322 4.956 581 HB3 LEU 83 2HB LEU 83 17.586 -2.841 6.461 582 HG LEU 83 HG LEU 83 20.433 -3.812 6.345 583 HD11 LEU 83 1HD1 LEU 83 20.925 -1.930 5.255 584 HD12 LEU 83 2HD1 LEU 83 20.531 -1.097 6.758 585 HD13 LEU 83 3HD1 LEU 83 19.310 -1.265 5.496 586 HD21 LEU 83 3HD2 LEU 83 19.460 -3.927 8.534 587 HD22 LEU 83 1HD2 LEU 83 18.817 -2.291 8.385 588 HD23 LEU 83 2HD2 LEU 83 20.559 -2.548 8.484 589 H GLN 84 H GLN 84 16.390 -5.867 8.056 590 HA GLN 84 HA GLN 84 14.015 -5.937 6.389 591 HB2 GLN 84 1HB GLN 84 14.764 -7.737 8.091 592 HB3 GLN 84 2HB GLN 84 14.102 -6.652 9.306 593 HG2 GLN 84 1HG GLN 84 12.400 -7.367 6.981 594 HG3 GLN 84 2HG GLN 84 12.665 -8.577 8.235 595 HE21 GLN 84 1HE2 GLN 84 10.227 -7.162 7.463 596 HE22 GLN 84 2HE2 GLN 84 9.666 -6.369 8.892 597 H SER 85 H SER 85 12.336 -4.565 6.492 598 HA SER 85 HA SER 85 12.141 -2.701 8.740 599 HB2 SER 85 1HB SER 85 11.761 -0.812 7.134 600 HB3 SER 85 2HB SER 85 13.407 -1.443 7.116 601 HG SER 85 HG SER 85 12.659 -1.185 5.004 602 H GLN 86 H GLN 86 10.063 -1.330 8.458 603 HA GLN 86 HA GLN 86 7.936 -2.735 7.060 604 HB2 GLN 86 1HB GLN 86 8.330 -3.625 9.506 605 HB3 GLN 86 2HB GLN 86 7.468 -2.160 9.956 606 HG2 GLN 86 1HG GLN 86 5.598 -2.864 8.499 607 HG3 GLN 86 2HG GLN 86 6.455 -4.372 8.187 608 HE21 GLN 86 1HE2 GLN 86 6.499 -5.949 9.733 609 HE22 GLN 86 2HE2 GLN 86 5.566 -5.882 11.185 610 H SER 87 H SER 87 6.195 -1.451 6.560 611 HA SER 87 HA SER 87 5.907 1.169 7.756 612 HB2 SER 87 1HB SER 87 7.537 1.770 6.122 613 HB3 SER 87 2HB SER 87 6.745 0.805 4.877 614 HG SER 87 HG SER 87 6.353 3.353 5.442 615 H SER 88 H SER 88 3.811 1.041 8.243 616 HA SER 88 HA SER 88 1.950 -0.113 6.296 617 HB2 SER 88 1HB SER 88 0.320 0.048 8.249 618 HB3 SER 88 2HB SER 88 1.663 -1.076 8.451 619 HG SER 88 HG SER 88 1.972 0.004 10.230 620 H VAL 89 H VAL 89 0.070 0.985 5.642 621 HA VAL 89 HA VAL 89 0.101 3.897 6.101 622 HB VAL 89 HB VAL 89 0.914 3.455 3.850 623 HG11 VAL 89 1HG1 VAL 89 -0.018 2.022 2.363 624 HG12 VAL 89 2HG1 VAL 89 -0.610 1.255 3.838 625 HG13 VAL 89 3HG1 VAL 89 -1.660 2.336 2.922 626 HG21 VAL 89 3HG2 VAL 89 -1.924 4.456 3.689 627 HG22 VAL 89 1HG2 VAL 89 -0.581 5.405 4.326 628 HG23 VAL 89 2HG2 VAL 89 -0.571 4.883 2.641 629 H ASN 90 H ASN 90 -1.787 4.802 6.669 630 HA ASN 90 HA ASN 90 -4.046 3.079 7.161 631 HB2 ASN 90 1HB ASN 90 -3.381 5.938 7.783 632 HB3 ASN 90 2HB ASN 90 -5.041 5.371 7.938 633 HD21 ASN 90 1HD2 ASN 90 -3.407 6.327 10.041 634 HD22 ASN 90 2HD2 ASN 90 -3.179 5.031 11.160 635 H VAL 91 H VAL 91 -5.401 2.585 5.572 636 HA VAL 91 HA VAL 91 -5.952 4.586 3.490 637 HB VAL 91 HB VAL 91 -6.566 1.629 3.441 638 HG11 VAL 91 1HG1 VAL 91 -6.337 2.930 0.884 639 HG12 VAL 91 2HG1 VAL 91 -7.679 1.999 1.553 640 HG13 VAL 91 3HG1 VAL 91 -7.553 3.728 1.882 641 HG21 VAL 91 3HG2 VAL 91 -4.648 1.993 1.567 642 HG22 VAL 91 1HG2 VAL 91 -4.134 3.150 2.795 643 HG23 VAL 91 2HG2 VAL 91 -4.332 1.448 3.214 644 H ILE 92 H ILE 92 -7.668 5.792 4.000 645 HA ILE 92 HA ILE 92 -9.960 4.536 5.331 646 HB ILE 92 HB ILE 92 -9.273 7.447 4.920 647 HG12 ILE 92 1HG1 ILE 92 -9.635 6.145 7.584 648 HG13 ILE 92 2HG1 ILE 92 -8.139 5.848 6.705 649 HG21 ILE 92 1HG2 ILE 92 -11.354 7.100 6.812 650 HG22 ILE 92 2HG2 ILE 92 -11.403 7.954 5.270 651 HG23 ILE 92 3HG2 ILE 92 -11.810 6.239 5.341 652 HD11 ILE 92 3HD1 ILE 92 -8.014 7.709 8.334 653 HD12 ILE 92 1HD1 ILE 92 -7.620 8.179 6.681 654 HD13 ILE 92 2HD1 ILE 92 -9.196 8.584 7.362 655 H VAL 93 H VAL 93 -11.831 4.190 4.310 656 HA VAL 93 HA VAL 93 -12.152 5.314 1.604 657 HB VAL 93 HB VAL 93 -13.201 2.708 2.712 658 HG11 VAL 93 1HG1 VAL 93 -13.973 4.307 0.370 659 HG12 VAL 93 2HG1 VAL 93 -13.677 2.597 0.050 660 HG13 VAL 93 3HG1 VAL 93 -14.875 3.076 1.253 661 HG21 VAL 93 3HG2 VAL 93 -10.852 3.468 1.130 662 HG22 VAL 93 1HG2 VAL 93 -11.144 2.034 2.114 663 HG23 VAL 93 2HG2 VAL 93 -11.775 2.118 0.470 664 H LYS 94 H LYS 94 -13.742 6.728 1.363 665 HA LYS 94 HA LYS 94 -15.976 6.673 3.284 666 HB2 LYS 94 1HB LYS 94 -14.705 8.990 1.824 667 HB3 LYS 94 2HB LYS 94 -16.231 9.116 2.689 668 HG2 LYS 94 1HG LYS 94 -15.206 8.744 4.770 669 HG3 LYS 94 2HG LYS 94 -13.716 8.164 4.021 670 HD2 LYS 94 1HD LYS 94 -13.608 10.535 2.980 671 HD3 LYS 94 2HD LYS 94 -14.754 10.965 4.252 672 HE2 LYS 94 1HE LYS 94 -13.103 9.914 5.876 673 HE3 LYS 94 2HE LYS 94 -11.952 9.910 4.541 674 HZ1 LYS 94 3HZ LYS 94 -13.321 12.324 5.600 675 HZ2 LYS 94 1HZ LYS 94 -12.155 12.294 4.375 676 HZ3 LYS 94 2HZ LYS 94 -11.730 11.874 5.957 677 H GLU 95 H GLU 95 -17.978 7.838 2.316 678 HA GLU 95 HA GLU 95 -18.560 6.502 -0.215 679 HB2 GLU 95 1HB GLU 95 -20.253 7.664 1.975 680 HB3 GLU 95 2HB GLU 95 -20.944 7.339 0.392 681 HG2 GLU 95 1HG GLU 95 -20.004 4.974 0.681 682 HG3 GLU 95 2HG GLU 95 -19.826 5.403 2.382 683 H GLU 96 H GLU 96 -19.865 7.651 -1.842 684 HA GLU 96 HA GLU 96 -18.638 9.883 -2.855 685 HB2 GLU 96 1HB GLU 96 -20.337 8.349 -3.981 686 HB3 GLU 96 2HB GLU 96 -21.579 9.349 -3.242 687 HG2 GLU 96 1HG GLU 96 -19.426 10.511 -4.974 688 HG3 GLU 96 2HG GLU 96 -20.927 9.870 -5.640 689 H SER 97 H SER 97 -18.986 12.088 -2.813 690 HA SER 97 HA SER 97 -19.976 13.152 -0.362 691 HB2 SER 97 1HB SER 97 -18.086 14.041 -1.943 692 HB3 SER 97 2HB SER 97 -19.413 14.868 -2.758 693 HG SER 97 HG SER 97 -18.597 15.126 -0.057 694 H GLY 98 H GLY 98 -22.171 12.618 -0.250 695 HA2 GLY 98 1HA GLY 98 -23.880 14.298 -1.962 696 HA3 GLY 98 2HA GLY 98 -24.273 12.601 -1.728 697 HA PRO 99 HA PRO 99 -25.794 15.511 1.802 698 HB2 PRO 99 1HB PRO 99 -28.199 16.319 0.836 699 HB3 PRO 99 2HB PRO 99 -26.711 17.246 0.607 700 HG2 PRO 99 1HG PRO 99 -28.092 15.384 -1.286 701 HG3 PRO 99 2HG PRO 99 -27.359 16.965 -1.608 702 HD2 PRO 99 1HD PRO 99 -26.109 14.634 -2.189 703 HD3 PRO 99 2HD PRO 99 -25.226 16.097 -1.705 704 H SER 100 H SER 100 -27.528 14.978 3.244 705 HA SER 100 HA SER 100 -28.237 12.235 3.197 706 HB2 SER 100 1HB SER 100 -29.280 14.482 4.939 707 HB3 SER 100 2HB SER 100 -29.545 12.763 5.233 708 HG SER 100 HG SER 100 -27.764 13.013 6.356 709 H SER 101 H SER 101 -29.338 12.021 1.179 710 HA SER 101 HA SER 101 -31.694 13.436 0.529 711 HB2 SER 101 1HB SER 101 -32.049 11.678 -1.156 712 HB3 SER 101 2HB SER 101 -30.374 12.229 -1.156 713 HG SER 101 HG SER 101 -31.059 10.046 0.452 714 H GLY 102 H GLY 102 -33.826 12.195 0.153 715 HA2 GLY 102 1HA GLY 102 -35.021 10.167 1.159 716 HA3 GLY 102 2HA GLY 102 -34.490 10.848 2.690 Start of MODEL 4 1 H1 GLY 1 H GLY 1 20.173 -5.508 19.301 2 HA2 GLY 1 1HA GLY 1 20.101 -6.294 16.686 3 HA3 GLY 1 2HA GLY 1 20.052 -4.609 17.182 4 H SER 2 H SER 2 21.139 -5.295 14.765 5 HA SER 2 HA SER 2 24.033 -4.969 15.221 6 HB2 SER 2 1HB SER 2 24.414 -6.011 13.053 7 HB3 SER 2 2HB SER 2 23.425 -7.076 14.052 8 HG SER 2 HG SER 2 21.656 -6.563 12.862 9 H SER 3 H SER 3 21.304 -4.017 13.171 10 HA SER 3 HA SER 3 22.839 -1.869 11.969 11 HB2 SER 3 1HB SER 3 20.730 -1.404 10.726 12 HB3 SER 3 2HB SER 3 21.279 -3.070 10.546 13 HG SER 3 HG SER 3 18.949 -2.171 11.502 14 H GLY 4 H GLY 4 22.464 0.325 12.246 15 HA2 GLY 4 1HA GLY 4 21.326 1.031 14.828 16 HA3 GLY 4 2HA GLY 4 22.262 2.084 13.777 17 H SER 5 H SER 5 20.989 2.275 11.501 18 HA SER 5 HA SER 5 18.643 3.772 12.161 19 HB2 SER 5 1HB SER 5 19.661 3.036 9.408 20 HB3 SER 5 2HB SER 5 18.572 4.361 9.819 21 HG SER 5 HG SER 5 20.850 4.924 9.519 22 H SER 6 H SER 6 16.640 3.038 12.322 23 HA SER 6 HA SER 6 15.935 0.548 10.909 24 HB2 SER 6 1HB SER 6 15.222 1.508 13.668 25 HB3 SER 6 2HB SER 6 14.187 0.358 12.823 26 HG SER 6 HG SER 6 15.834 -1.105 12.792 27 H GLY 7 H GLY 7 13.995 0.454 9.834 28 HA2 GLY 7 1HA GLY 7 11.893 1.192 9.115 29 HA3 GLY 7 2HA GLY 7 12.120 2.669 10.040 30 H GLN 8 H GLN 8 13.551 0.995 7.235 31 HA GLN 8 HA GLN 8 13.923 3.624 5.972 32 HB2 GLN 8 1HB GLN 8 15.340 0.996 5.683 33 HB3 GLN 8 2HB GLN 8 15.403 2.181 4.385 34 HG2 GLN 8 1HG GLN 8 17.335 2.528 5.667 35 HG3 GLN 8 2HG GLN 8 16.232 3.833 6.100 36 HE21 GLN 8 1HE2 GLN 8 17.213 0.585 7.113 37 HE22 GLN 8 2HE2 GLN 8 17.061 0.878 8.808 38 H ALA 9 H ALA 9 11.354 2.607 5.973 39 HA ALA 9 HA ALA 9 10.971 2.093 3.110 40 HB1 ALA 9 3HB ALA 9 9.128 0.708 4.978 41 HB2 ALA 9 1HB ALA 9 9.680 0.237 3.370 42 HB3 ALA 9 2HB ALA 9 10.743 0.031 4.762 43 H ASP 10 H ASP 10 9.000 2.852 2.254 44 HA ASP 10 HA ASP 10 7.313 4.452 4.034 45 HB2 ASP 10 1HB ASP 10 9.181 5.801 2.802 46 HB3 ASP 10 2HB ASP 10 8.143 5.604 1.392 47 H ALA 11 H ALA 11 5.249 3.978 3.710 48 HA ALA 11 HA ALA 11 4.474 2.719 1.173 49 HB1 ALA 11 3HB ALA 11 2.386 2.585 3.101 50 HB2 ALA 11 1HB ALA 11 3.348 1.273 2.419 51 HB3 ALA 11 2HB ALA 11 3.898 2.106 3.874 52 H GLY 12 H GLY 12 4.819 5.554 1.317 53 HA2 GLY 12 1HA GLY 12 3.741 7.433 0.552 54 HA3 GLY 12 2HA GLY 12 2.388 6.393 0.133 55 HA PRO 13 HA PRO 13 1.547 9.181 3.916 56 HB2 PRO 13 1HB PRO 13 0.062 11.102 2.700 57 HB3 PRO 13 2HB PRO 13 1.814 11.225 2.901 58 HG2 PRO 13 1HG PRO 13 0.238 10.385 0.499 59 HG3 PRO 13 2HG PRO 13 1.654 11.448 0.592 60 HD2 PRO 13 1HD PRO 13 1.827 8.853 -0.160 61 HD3 PRO 13 2HD PRO 13 3.128 9.681 0.719 62 H ASP 14 H ASP 14 -0.712 9.834 4.655 63 HA ASP 14 HA ASP 14 -2.416 7.743 4.804 64 HB2 ASP 14 1HB ASP 14 -4.126 9.241 5.532 65 HB3 ASP 14 2HB ASP 14 -2.590 9.940 6.037 66 H LYS 15 H LYS 15 -4.273 7.013 3.750 67 HA LYS 15 HA LYS 15 -4.590 7.976 0.982 68 HB2 LYS 15 1HB LYS 15 -4.894 5.159 2.039 69 HB3 LYS 15 2HB LYS 15 -5.254 5.660 0.392 70 HG2 LYS 15 1HG LYS 15 -2.545 6.225 1.472 71 HG3 LYS 15 2HG LYS 15 -2.949 4.564 1.032 72 HD2 LYS 15 1HD LYS 15 -3.249 5.097 -1.207 73 HD3 LYS 15 2HD LYS 15 -3.520 6.807 -0.866 74 HE2 LYS 15 1HE LYS 15 -1.037 6.670 0.012 75 HE3 LYS 15 2HE LYS 15 -0.969 5.286 -1.078 76 HZ1 LYS 15 3HZ LYS 15 -2.124 7.118 -2.637 77 HZ2 LYS 15 1HZ LYS 15 -0.454 6.851 -2.581 78 HZ3 LYS 15 2HZ LYS 15 -1.140 8.113 -1.687 79 H GLU 16 H GLU 16 -6.559 8.642 0.402 80 HA GLU 16 HA GLU 16 -8.859 7.822 2.045 81 HB2 GLU 16 1HB GLU 16 -7.946 10.210 2.452 82 HB3 GLU 16 2HB GLU 16 -8.644 10.585 0.883 83 HG2 GLU 16 1HG GLU 16 -10.785 9.491 1.936 84 HG3 GLU 16 2HG GLU 16 -9.987 9.919 3.448 85 H LEU 17 H LEU 17 -10.113 6.634 0.770 86 HA LEU 17 HA LEU 17 -10.428 7.436 -2.045 87 HB2 LEU 17 1HB LEU 17 -11.114 4.751 -0.881 88 HB3 LEU 17 2HB LEU 17 -10.929 5.185 -2.579 89 HG LEU 17 HG LEU 17 -8.606 5.300 -0.682 90 HD11 LEU 17 1HD1 LEU 17 -9.902 3.010 -0.859 91 HD12 LEU 17 2HD1 LEU 17 -8.140 3.076 -0.881 92 HD13 LEU 17 3HD1 LEU 17 -9.035 2.908 -2.392 93 HD21 LEU 17 3HD2 LEU 17 -7.326 5.537 -2.537 94 HD22 LEU 17 1HD2 LEU 17 -8.820 6.218 -3.180 95 HD23 LEU 17 2HD2 LEU 17 -8.390 4.545 -3.536 96 H THR 18 H THR 18 -12.508 7.419 -2.981 97 HA THR 18 HA THR 18 -14.779 7.233 -1.136 98 HB THR 18 HB THR 18 -14.375 9.567 -3.016 99 HG1 THR 18 1HG THR 18 -13.757 10.708 -1.273 100 HG21 THR 18 3HG2 THR 18 -16.375 10.474 -2.065 101 HG22 THR 18 1HG2 THR 18 -16.468 9.172 -0.879 102 HG23 THR 18 2HG2 THR 18 -16.735 8.829 -2.588 103 H LEU 19 H LEU 19 -16.077 5.751 -1.987 104 HA LEU 19 HA LEU 19 -16.076 4.571 -4.398 105 HB2 LEU 19 1HB LEU 19 -18.311 5.229 -2.538 106 HB3 LEU 19 2HB LEU 19 -18.684 4.493 -4.096 107 HG LEU 19 HG LEU 19 -18.481 2.945 -2.086 108 HD11 LEU 19 1HD1 LEU 19 -18.545 2.054 -4.300 109 HD12 LEU 19 2HD1 LEU 19 -17.259 1.229 -3.419 110 HD13 LEU 19 3HD1 LEU 19 -16.860 2.492 -4.583 111 HD21 LEU 19 3HD2 LEU 19 -16.544 3.802 -1.010 112 HD22 LEU 19 1HD2 LEU 19 -15.588 3.673 -2.486 113 HD23 LEU 19 2HD2 LEU 19 -16.116 2.214 -1.648 114 HA PRO 20 HA PRO 20 -17.926 3.708 -5.755 115 HB2 PRO 20 1HB PRO 20 -17.519 3.351 -8.416 116 HB3 PRO 20 2HB PRO 20 -19.072 3.858 -7.741 117 HG2 PRO 20 1HG PRO 20 -16.925 5.516 -9.006 118 HG3 PRO 20 2HG PRO 20 -18.682 5.608 -9.222 119 HD2 PRO 20 1HD PRO 20 -17.320 7.309 -7.615 120 HD3 PRO 20 2HD PRO 20 -18.985 6.798 -7.271 121 H VAL 21 H VAL 21 -15.285 5.688 -6.238 122 HA VAL 21 HA VAL 21 -13.318 4.135 -7.385 123 HB VAL 21 HB VAL 21 -13.023 6.001 -5.027 124 HG11 VAL 21 1HG1 VAL 21 -10.655 6.194 -6.036 125 HG12 VAL 21 2HG1 VAL 21 -11.037 4.792 -5.035 126 HG13 VAL 21 3HG1 VAL 21 -11.020 4.643 -6.792 127 HG21 VAL 21 3HG2 VAL 21 -12.694 7.740 -6.537 128 HG22 VAL 21 1HG2 VAL 21 -12.375 6.643 -7.881 129 HG23 VAL 21 2HG2 VAL 21 -14.017 6.828 -7.263 130 H ASP 22 H ASP 22 -13.258 1.989 -6.928 131 HA ASP 22 HA ASP 22 -12.831 1.226 -4.114 132 HB2 ASP 22 1HB ASP 22 -13.601 -1.054 -4.830 133 HB3 ASP 22 2HB ASP 22 -14.839 0.196 -4.934 134 H SER 23 H SER 23 -10.740 2.207 -5.758 135 HA SER 23 HA SER 23 -8.908 -0.016 -5.545 136 HB2 SER 23 1HB SER 23 -8.066 0.310 -7.905 137 HB3 SER 23 2HB SER 23 -9.655 -0.445 -7.783 138 HG SER 23 HG SER 23 -9.549 2.334 -7.997 139 H THR 24 H THR 24 -6.861 0.640 -5.113 140 HA THR 24 HA THR 24 -6.124 3.430 -5.585 141 HB THR 24 HB THR 24 -7.107 3.038 -3.207 142 HG1 THR 24 1HG THR 24 -4.541 4.189 -3.133 143 HG21 THR 24 3HG2 THR 24 -5.503 0.992 -2.979 144 HG22 THR 24 1HG2 THR 24 -5.776 2.046 -1.593 145 HG23 THR 24 2HG2 THR 24 -4.306 2.215 -2.553 146 H THR 25 H THR 25 -3.822 3.831 -5.344 147 HA THR 25 HA THR 25 -2.241 1.397 -5.842 148 HB THR 25 HB THR 25 -0.593 3.100 -6.881 149 HG1 THR 25 1HG THR 25 -1.276 5.094 -6.926 150 HG21 THR 25 3HG2 THR 25 -2.668 1.565 -7.926 151 HG22 THR 25 1HG2 THR 25 -1.318 2.263 -8.820 152 HG23 THR 25 2HG2 THR 25 -2.843 3.140 -8.701 153 H LEU 26 H LEU 26 -0.441 0.985 -4.662 154 HA LEU 26 HA LEU 26 0.317 2.971 -2.622 155 HB2 LEU 26 1HB LEU 26 0.350 -0.029 -2.329 156 HB3 LEU 26 2HB LEU 26 0.810 1.146 -1.098 157 HG LEU 26 HG LEU 26 -1.972 1.090 -2.219 158 HD11 LEU 26 1HD1 LEU 26 -0.694 -0.850 -0.407 159 HD12 LEU 26 2HD1 LEU 26 -2.110 -1.022 -1.445 160 HD13 LEU 26 3HD1 LEU 26 -2.254 -0.214 0.116 161 HD21 LEU 26 3HD2 LEU 26 -1.952 2.930 -0.925 162 HD22 LEU 26 1HD2 LEU 26 -0.535 2.404 -0.015 163 HD23 LEU 26 2HD2 LEU 26 -2.130 1.771 0.393 164 H ASP 27 H ASP 27 1.982 3.770 -3.954 165 HA ASP 27 HA ASP 27 4.032 2.009 -4.947 166 HB2 ASP 27 1HB ASP 27 5.050 3.952 -5.863 167 HB3 ASP 27 2HB ASP 27 3.313 4.183 -6.039 168 H GLY 28 H GLY 28 5.663 1.235 -3.791 169 HA2 GLY 28 1HA GLY 28 6.290 2.484 -1.214 170 HA3 GLY 28 2HA GLY 28 6.759 0.868 -1.720 171 H SER 29 H SER 29 7.320 2.930 -4.252 172 HA SER 29 HA SER 29 10.146 2.722 -3.986 173 HB2 SER 29 1HB SER 29 9.324 2.705 -6.203 174 HB3 SER 29 2HB SER 29 8.345 4.148 -5.940 175 HG SER 29 HG SER 29 10.238 5.364 -5.843 176 H LYS 30 H LYS 30 7.823 5.350 -3.572 177 HA LYS 30 HA LYS 30 9.337 7.572 -3.369 178 HB2 LYS 30 1HB LYS 30 6.966 6.616 -1.843 179 HB3 LYS 30 2HB LYS 30 7.794 8.046 -1.243 180 HG2 LYS 30 1HG LYS 30 7.524 9.077 -3.483 181 HG3 LYS 30 2HG LYS 30 6.568 7.675 -3.967 182 HD2 LYS 30 1HD LYS 30 4.909 9.126 -3.314 183 HD3 LYS 30 2HD LYS 30 5.197 8.256 -1.806 184 HE2 LYS 30 1HE LYS 30 5.198 10.452 -1.098 185 HE3 LYS 30 2HE LYS 30 6.916 10.153 -1.352 186 HZ1 LYS 30 3HZ LYS 30 5.709 12.263 -2.334 187 HZ2 LYS 30 1HZ LYS 30 5.383 11.198 -3.607 188 HZ3 LYS 30 2HZ LYS 30 6.982 11.507 -3.152 189 H SER 31 H SER 31 9.474 4.829 -1.266 190 HA SER 31 HA SER 31 10.533 5.795 1.063 191 HB2 SER 31 1HB SER 31 10.064 3.406 0.643 192 HB3 SER 31 2HB SER 31 11.475 3.323 -0.412 193 HG SER 31 HG SER 31 12.714 3.196 1.281 194 H SER 32 H SER 32 12.362 6.757 1.700 195 HA SER 32 HA SER 32 14.056 8.134 0.127 196 HB2 SER 32 1HB SER 32 15.745 7.996 1.964 197 HB3 SER 32 2HB SER 32 14.120 8.375 2.535 198 HG SER 32 HG SER 32 15.660 6.098 2.922 199 H ASP 33 H ASP 33 14.463 4.747 1.066 200 HA ASP 33 HA ASP 33 16.905 4.487 -0.462 201 HB2 ASP 33 1HB ASP 33 15.235 2.406 0.967 202 HB3 ASP 33 2HB ASP 33 16.816 2.119 0.244 203 H ASP 34 H ASP 34 15.919 5.166 -2.502 204 HA ASP 34 HA ASP 34 14.117 3.238 -3.746 205 HB2 ASP 34 1HB ASP 34 14.146 4.887 -5.653 206 HB3 ASP 34 2HB ASP 34 13.519 5.520 -4.133 207 H GLN 35 H GLN 35 17.409 4.446 -4.015 208 HA GLN 35 HA GLN 35 18.006 2.956 -6.392 209 HB2 GLN 35 1HB GLN 35 19.777 4.381 -4.403 210 HB3 GLN 35 2HB GLN 35 20.372 3.612 -5.869 211 HG2 GLN 35 1HG GLN 35 18.664 5.122 -7.077 212 HG3 GLN 35 2HG GLN 35 18.665 6.047 -5.576 213 HE21 GLN 35 1HE2 GLN 35 20.778 4.754 -8.088 214 HE22 GLN 35 2HE2 GLN 35 21.970 6.000 -7.978 215 H LYS 36 H LYS 36 18.549 2.529 -2.931 216 HA LYS 36 HA LYS 36 19.753 -0.097 -3.444 217 HB2 LYS 36 1HB LYS 36 19.672 1.660 -0.992 218 HB3 LYS 36 2HB LYS 36 20.249 -0.001 -0.952 219 HG2 LYS 36 1HG LYS 36 22.114 0.483 -2.251 220 HG3 LYS 36 2HG LYS 36 21.414 1.981 -2.869 221 HD2 LYS 36 1HD LYS 36 21.690 3.061 -0.751 222 HD3 LYS 36 2HD LYS 36 22.164 1.545 0.019 223 HE2 LYS 36 1HE LYS 36 24.153 2.792 -0.359 224 HE3 LYS 36 2HE LYS 36 24.130 1.481 -1.537 225 HZ1 LYS 36 3HZ LYS 36 24.317 2.982 -3.133 226 HZ2 LYS 36 1HZ LYS 36 24.288 4.242 -2.005 227 HZ3 LYS 36 2HZ LYS 36 22.843 3.678 -2.678 228 H ILE 37 H ILE 37 17.698 -1.024 -4.056 229 HA ILE 37 HA ILE 37 16.346 -2.185 -1.791 230 HB ILE 37 HB ILE 37 15.117 -0.044 -2.126 231 HG12 ILE 37 1HG1 ILE 37 12.823 -1.298 -2.543 232 HG13 ILE 37 2HG1 ILE 37 13.842 -2.729 -2.435 233 HG21 ILE 37 1HG2 ILE 37 15.487 -0.284 -4.713 234 HG22 ILE 37 2HG2 ILE 37 13.946 -1.137 -4.637 235 HG23 ILE 37 3HG2 ILE 37 14.059 0.532 -4.077 236 HD11 ILE 37 3HD1 ILE 37 12.743 -1.174 -0.344 237 HD12 ILE 37 1HD1 ILE 37 13.745 -2.622 -0.234 238 HD13 ILE 37 2HD1 ILE 37 14.499 -1.027 -0.270 239 H ILE 38 H ILE 38 16.110 -4.257 -2.273 240 HA ILE 38 HA ILE 38 15.425 -5.006 -5.033 241 HB ILE 38 HB ILE 38 16.913 -6.913 -4.955 242 HG12 ILE 38 1HG1 ILE 38 18.099 -5.905 -2.383 243 HG13 ILE 38 2HG1 ILE 38 16.735 -7.017 -2.365 244 HG21 ILE 38 1HG2 ILE 38 19.133 -5.501 -4.538 245 HG22 ILE 38 2HG2 ILE 38 18.110 -5.264 -5.954 246 HG23 ILE 38 3HG2 ILE 38 17.971 -4.174 -4.574 247 HD11 ILE 38 3HD1 ILE 38 18.136 -8.539 -3.816 248 HD12 ILE 38 1HD1 ILE 38 19.496 -7.483 -3.436 249 HD13 ILE 38 2HD1 ILE 38 18.657 -8.342 -2.143 250 H SER 39 H SER 39 13.726 -4.711 -2.720 251 HA SER 39 HA SER 39 12.429 -7.273 -2.820 252 HB2 SER 39 1HB SER 39 13.890 -6.379 -0.368 253 HB3 SER 39 2HB SER 39 12.364 -7.243 -0.176 254 HG SER 39 HG SER 39 14.220 -8.316 -1.951 255 H TYR 40 H TYR 40 10.279 -7.039 -2.634 256 HA TYR 40 HA TYR 40 9.183 -4.725 -1.235 257 HB2 TYR 40 1HB TYR 40 8.966 -5.230 -4.175 258 HB3 TYR 40 2HB TYR 40 7.605 -4.498 -3.332 259 HD1 TYR 40 1HD TYR 40 8.009 -2.347 -2.043 260 HD2 TYR 40 2HD TYR 40 10.827 -3.940 -4.804 261 HE1 TYR 40 1HE TYR 40 9.090 -0.144 -2.201 262 HE2 TYR 40 2HE TYR 40 11.917 -1.742 -4.969 263 HH TYR 40 HH TYR 40 12.106 0.337 -3.464 264 H LEU 41 H LEU 41 7.281 -5.139 -0.249 265 HA LEU 41 HA LEU 41 5.703 -7.455 -1.062 266 HB2 LEU 41 1HB LEU 41 7.368 -8.183 0.662 267 HB3 LEU 41 2HB LEU 41 6.596 -7.069 1.789 268 HG LEU 41 HG LEU 41 4.474 -8.374 1.479 269 HD11 LEU 41 1HD1 LEU 41 4.328 -9.955 -0.065 270 HD12 LEU 41 2HD1 LEU 41 5.691 -10.816 0.647 271 HD13 LEU 41 3HD1 LEU 41 5.973 -9.583 -0.581 272 HD21 LEU 41 3HD2 LEU 41 5.104 -10.102 3.011 273 HD22 LEU 41 1HD2 LEU 41 6.040 -8.657 3.396 274 HD23 LEU 41 2HD2 LEU 41 6.796 -9.989 2.522 275 H TRP 42 H TRP 42 3.554 -7.183 -0.773 276 HA TRP 42 HA TRP 42 2.656 -4.912 0.865 277 HB2 TRP 42 1HB TRP 42 1.953 -5.528 -1.994 278 HB3 TRP 42 2HB TRP 42 0.859 -4.604 -0.969 279 HD1 TRP 42 HD TRP 42 3.997 -4.275 -3.015 280 HE1 TRP 42 1HE TRP 42 4.829 -1.840 -2.932 281 HE3 TRP 42 3HE TRP 42 0.959 -2.506 0.696 282 HZ2 TRP 42 2HZ TRP 42 4.272 0.517 -1.484 283 HZ3 TRP 42 3HZ TRP 42 1.172 -0.149 1.372 284 HH2 TRP 42 HH TRP 42 2.795 1.329 0.304 285 H GLU 43 H GLU 43 1.468 -5.749 2.447 286 HA GLU 43 HA GLU 43 -0.638 -7.662 1.758 287 HB2 GLU 43 1HB GLU 43 1.252 -8.029 4.090 288 HB3 GLU 43 2HB GLU 43 -0.126 -9.052 3.706 289 HG2 GLU 43 1HG GLU 43 1.056 -9.423 1.450 290 HG3 GLU 43 2HG GLU 43 2.483 -8.793 2.270 291 H LYS 44 H LYS 44 -2.424 -7.659 3.177 292 HA LYS 44 HA LYS 44 -2.800 -5.123 4.534 293 HB2 LYS 44 1HB LYS 44 -4.622 -5.799 3.164 294 HB3 LYS 44 2HB LYS 44 -4.644 -7.412 3.863 295 HG2 LYS 44 1HG LYS 44 -5.610 -6.661 5.856 296 HG3 LYS 44 2HG LYS 44 -5.211 -4.975 5.515 297 HD2 LYS 44 1HD LYS 44 -7.444 -4.990 4.989 298 HD3 LYS 44 2HD LYS 44 -6.745 -5.379 3.416 299 HE2 LYS 44 1HE LYS 44 -8.498 -6.917 3.713 300 HE3 LYS 44 2HE LYS 44 -7.025 -7.819 4.065 301 HZ1 LYS 44 3HZ LYS 44 -8.326 -8.407 5.827 302 HZ2 LYS 44 1HZ LYS 44 -9.136 -6.923 5.892 303 HZ3 LYS 44 2HZ LYS 44 -7.558 -7.053 6.488 304 H THR 45 H THR 45 -2.266 -4.890 6.594 305 HA THR 45 HA THR 45 -1.837 -7.140 8.323 306 HB THR 45 HB THR 45 -1.648 -5.136 10.053 307 HG1 THR 45 1HG THR 45 -0.894 -3.740 7.732 308 HG21 THR 45 3HG2 THR 45 0.688 -4.993 9.559 309 HG22 THR 45 1HG2 THR 45 0.422 -5.480 7.885 310 HG23 THR 45 2HG2 THR 45 0.170 -6.638 9.191 311 H GLN 46 H GLN 46 -4.051 -4.344 8.448 312 HA GLN 46 HA GLN 46 -5.888 -6.004 10.045 313 HB2 GLN 46 1HB GLN 46 -4.970 -3.201 10.415 314 HB3 GLN 46 2HB GLN 46 -6.655 -3.548 10.779 315 HG2 GLN 46 1HG GLN 46 -6.066 -5.125 12.443 316 HG3 GLN 46 2HG GLN 46 -4.375 -5.119 11.944 317 HE21 GLN 46 1HE2 GLN 46 -6.832 -2.728 12.879 318 HE22 GLN 46 2HE2 GLN 46 -5.814 -1.860 13.973 319 H GLY 47 H GLY 47 -8.175 -4.812 10.022 320 HA2 GLY 47 1HA GLY 47 -9.806 -3.686 8.691 321 HA3 GLY 47 2HA GLY 47 -8.767 -3.905 7.290 322 HA PRO 48 HA PRO 48 -12.169 -7.196 7.555 323 HB2 PRO 48 1HB PRO 48 -13.645 -6.351 5.440 324 HB3 PRO 48 2HB PRO 48 -13.931 -5.796 7.094 325 HG2 PRO 48 1HG PRO 48 -12.447 -4.445 4.872 326 HG3 PRO 48 2HG PRO 48 -13.595 -3.754 6.033 327 HD2 PRO 48 1HD PRO 48 -10.914 -3.498 6.308 328 HD3 PRO 48 2HD PRO 48 -12.011 -3.600 7.700 329 H ASP 49 H ASP 49 -11.692 -9.040 6.545 330 HA ASP 49 HA ASP 49 -9.776 -9.161 4.461 331 HB2 ASP 49 1HB ASP 49 -11.579 -11.205 5.740 332 HB3 ASP 49 2HB ASP 49 -10.533 -11.622 4.385 333 H GLY 50 H GLY 50 -10.061 -10.054 2.324 334 HA2 GLY 50 1HA GLY 50 -11.897 -10.825 0.736 335 HA3 GLY 50 2HA GLY 50 -12.684 -9.320 1.190 336 H VAL 51 H VAL 51 -10.789 -7.455 1.102 337 HA VAL 51 HA VAL 51 -10.557 -6.661 -1.473 338 HB VAL 51 HB VAL 51 -8.653 -5.260 -0.839 339 HG11 VAL 51 1HG1 VAL 51 -10.939 -5.530 1.079 340 HG12 VAL 51 2HG1 VAL 51 -9.709 -4.284 1.300 341 HG13 VAL 51 3HG1 VAL 51 -10.676 -4.319 -0.175 342 HG21 VAL 51 3HG2 VAL 51 -7.327 -6.802 0.427 343 HG22 VAL 51 1HG2 VAL 51 -7.745 -5.448 1.477 344 HG23 VAL 51 2HG2 VAL 51 -8.599 -6.983 1.635 345 H GLN 52 H GLN 52 -8.697 -6.525 -2.944 346 HA GLN 52 HA GLN 52 -6.972 -8.906 -2.812 347 HB2 GLN 52 1HB GLN 52 -8.735 -7.951 -5.013 348 HB3 GLN 52 2HB GLN 52 -7.185 -8.655 -5.455 349 HG2 GLN 52 1HG GLN 52 -9.479 -9.939 -4.021 350 HG3 GLN 52 2HG GLN 52 -8.713 -10.422 -5.533 351 HE21 GLN 52 1HE2 GLN 52 -9.205 -11.849 -2.962 352 HE22 GLN 52 2HE2 GLN 52 -7.662 -12.470 -2.497 353 H LEU 53 H LEU 53 -4.860 -8.575 -3.195 354 HA LEU 53 HA LEU 53 -4.046 -5.861 -3.988 355 HB2 LEU 53 1HB LEU 53 -2.960 -7.858 -2.091 356 HB3 LEU 53 2HB LEU 53 -1.791 -6.878 -2.974 357 HG LEU 53 HG LEU 53 -4.013 -5.483 -1.570 358 HD11 LEU 53 1HD1 LEU 53 -1.549 -6.307 -0.074 359 HD12 LEU 53 2HD1 LEU 53 -3.021 -7.277 -0.038 360 HD13 LEU 53 3HD1 LEU 53 -3.046 -5.615 0.550 361 HD21 LEU 53 3HD2 LEU 53 -2.692 -3.941 -2.606 362 HD22 LEU 53 1HD2 LEU 53 -1.239 -4.932 -2.477 363 HD23 LEU 53 2HD2 LEU 53 -1.839 -4.059 -1.066 364 H GLU 54 H GLU 54 -3.129 -5.610 -5.909 365 HA GLU 54 HA GLU 54 -2.153 -7.988 -7.324 366 HB2 GLU 54 1HB GLU 54 -3.924 -6.229 -8.222 367 HB3 GLU 54 2HB GLU 54 -2.471 -5.352 -8.681 368 HG2 GLU 54 1HG GLU 54 -2.748 -8.222 -9.430 369 HG3 GLU 54 2HG GLU 54 -3.613 -6.992 -10.350 370 H ASN 55 H ASN 55 -0.126 -8.048 -8.284 371 HA ASN 55 HA ASN 55 2.117 -7.694 -8.413 372 HB2 ASN 55 1HB ASN 55 0.931 -4.975 -8.650 373 HB3 ASN 55 2HB ASN 55 2.668 -5.075 -8.378 374 HD21 ASN 55 1HD2 ASN 55 0.307 -4.985 -10.675 375 HD22 ASN 55 2HD2 ASN 55 1.187 -5.635 -12.012 376 H ALA 56 H ALA 56 0.911 -8.048 -5.791 377 HA ALA 56 HA ALA 56 1.839 -6.374 -3.805 378 HB1 ALA 56 3HB ALA 56 1.186 -9.265 -3.937 379 HB2 ALA 56 1HB ALA 56 2.052 -8.681 -2.516 380 HB3 ALA 56 2HB ALA 56 0.487 -7.989 -2.942 381 H ASN 57 H ASN 57 3.586 -8.802 -5.640 382 HA ASN 57 HA ASN 57 5.968 -8.520 -4.006 383 HB2 ASN 57 1HB ASN 57 5.215 -10.216 -6.367 384 HB3 ASN 57 2HB ASN 57 6.904 -10.054 -5.893 385 HD21 ASN 57 1HD2 ASN 57 3.784 -10.535 -4.264 386 HD22 ASN 57 2HD2 ASN 57 4.319 -11.835 -3.260 387 H SER 58 H SER 58 5.033 -6.145 -5.301 388 HA SER 58 HA SER 58 7.441 -5.503 -6.824 389 HB2 SER 58 1HB SER 58 4.621 -5.218 -7.829 390 HB3 SER 58 2HB SER 58 5.896 -4.144 -8.405 391 HG SER 58 HG SER 58 7.010 -5.928 -9.176 392 H SER 59 H SER 59 7.823 -3.186 -7.003 393 HA SER 59 HA SER 59 7.545 -1.839 -4.591 394 HB2 SER 59 1HB SER 59 7.875 -0.423 -7.234 395 HB3 SER 59 2HB SER 59 8.520 0.041 -5.660 396 HG SER 59 HG SER 59 9.435 -1.864 -7.474 397 H VAL 60 H VAL 60 5.483 -1.842 -7.424 398 HA VAL 60 HA VAL 60 3.662 0.041 -6.077 399 HB VAL 60 HB VAL 60 3.787 -0.682 -9.009 400 HG11 VAL 60 1HG1 VAL 60 2.287 1.451 -9.068 401 HG12 VAL 60 2HG1 VAL 60 1.573 -0.117 -8.689 402 HG13 VAL 60 3HG1 VAL 60 1.941 1.022 -7.394 403 HG21 VAL 60 3HG2 VAL 60 4.461 1.774 -9.181 404 HG22 VAL 60 1HG2 VAL 60 4.793 1.682 -7.452 405 HG23 VAL 60 2HG2 VAL 60 5.675 0.648 -8.575 406 H ALA 61 H ALA 61 1.860 -0.768 -5.245 407 HA ALA 61 HA ALA 61 0.800 -3.285 -6.355 408 HB1 ALA 61 3HB ALA 61 -0.116 -3.565 -3.939 409 HB2 ALA 61 1HB ALA 61 1.566 -3.967 -4.287 410 HB3 ALA 61 2HB ALA 61 1.168 -2.432 -3.515 411 H THR 62 H THR 62 -1.504 -3.576 -6.194 412 HA THR 62 HA THR 62 -3.015 -1.070 -5.873 413 HB THR 62 HB THR 62 -3.311 -3.082 -8.109 414 HG1 THR 62 1HG THR 62 -3.090 -0.859 -9.219 415 HG21 THR 62 3HG2 THR 62 -5.172 -1.710 -8.899 416 HG22 THR 62 1HG2 THR 62 -5.027 -0.676 -7.478 417 HG23 THR 62 2HG2 THR 62 -5.513 -2.362 -7.296 418 H VAL 63 H VAL 63 -4.726 -1.236 -4.575 419 HA VAL 63 HA VAL 63 -5.604 -3.923 -3.775 420 HB VAL 63 HB VAL 63 -6.064 -1.285 -2.376 421 HG11 VAL 63 1HG1 VAL 63 -7.837 -2.842 -1.889 422 HG12 VAL 63 2HG1 VAL 63 -6.669 -4.120 -1.546 423 HG13 VAL 63 3HG1 VAL 63 -6.778 -2.715 -0.485 424 HG21 VAL 63 3HG2 VAL 63 -4.334 -1.831 -0.892 425 HG22 VAL 63 1HG2 VAL 63 -4.269 -3.504 -1.446 426 HG23 VAL 63 2HG2 VAL 63 -3.680 -2.207 -2.486 427 H THR 64 H THR 64 -7.371 -4.630 -4.760 428 HA THR 64 HA THR 64 -9.431 -2.681 -5.552 429 HB THR 64 HB THR 64 -10.036 -4.019 -7.348 430 HG1 THR 64 1HG THR 64 -9.734 -6.211 -7.420 431 HG21 THR 64 3HG2 THR 64 -7.227 -4.976 -7.361 432 HG22 THR 64 1HG2 THR 64 -7.487 -3.237 -7.238 433 HG23 THR 64 2HG2 THR 64 -8.141 -4.131 -8.610 434 H GLY 65 H GLY 65 -11.691 -3.469 -5.468 435 HA2 GLY 65 1HA GLY 65 -13.469 -4.508 -4.423 436 HA3 GLY 65 2HA GLY 65 -12.342 -5.694 -3.783 437 H LEU 66 H LEU 66 -12.302 -2.182 -3.346 438 HA LEU 66 HA LEU 66 -12.264 -2.601 -0.457 439 HB2 LEU 66 1HB LEU 66 -11.688 -0.198 -2.175 440 HB3 LEU 66 2HB LEU 66 -11.712 -0.149 -0.414 441 HG LEU 66 HG LEU 66 -9.917 -2.110 -1.759 442 HD11 LEU 66 1HD1 LEU 66 -8.268 -0.577 -2.289 443 HD12 LEU 66 2HD1 LEU 66 -8.983 0.693 -1.296 444 HD13 LEU 66 3HD1 LEU 66 -9.735 0.243 -2.827 445 HD21 LEU 66 3HD2 LEU 66 -9.460 -0.374 0.654 446 HD22 LEU 66 1HD2 LEU 66 -8.610 -1.848 0.190 447 HD23 LEU 66 2HD2 LEU 66 -10.285 -1.931 0.737 448 H GLN 67 H GLN 67 -13.542 -1.180 0.939 449 HA GLN 67 HA GLN 67 -15.855 0.125 -0.181 450 HB2 GLN 67 1HB GLN 67 -17.490 -1.260 1.057 451 HB3 GLN 67 2HB GLN 67 -16.658 -2.157 -0.205 452 HG2 GLN 67 1HG GLN 67 -15.053 -2.808 1.771 453 HG3 GLN 67 2HG GLN 67 -16.465 -2.411 2.749 454 HE21 GLN 67 1HE2 GLN 67 -15.144 -4.551 0.352 455 HE22 GLN 67 2HE2 GLN 67 -16.360 -5.772 0.477 456 H VAL 68 H VAL 68 -17.348 0.859 1.692 457 HA VAL 68 HA VAL 68 -16.059 2.622 3.316 458 HB VAL 68 HB VAL 68 -18.628 1.171 3.964 459 HG11 VAL 68 1HG1 VAL 68 -17.452 3.704 5.099 460 HG12 VAL 68 2HG1 VAL 68 -19.118 3.177 5.348 461 HG13 VAL 68 3HG1 VAL 68 -17.783 2.201 5.961 462 HG21 VAL 68 3HG2 VAL 68 -18.898 3.895 3.074 463 HG22 VAL 68 1HG2 VAL 68 -18.019 2.936 1.884 464 HG23 VAL 68 2HG2 VAL 68 -19.620 2.426 2.418 465 H GLY 69 H GLY 69 -14.490 2.290 4.747 466 HA2 GLY 69 1HA GLY 69 -14.679 1.128 7.180 467 HA3 GLY 69 2HA GLY 69 -14.244 -0.227 6.148 468 H THR 70 H THR 70 -12.401 -0.125 7.776 469 HA THR 70 HA THR 70 -10.330 1.751 6.843 470 HB THR 70 HB THR 70 -10.128 0.212 9.415 471 HG1 THR 70 1HG THR 70 -11.616 1.431 10.282 472 HG21 THR 70 3HG2 THR 70 -8.804 2.246 10.047 473 HG22 THR 70 1HG2 THR 70 -8.976 2.802 8.383 474 HG23 THR 70 2HG2 THR 70 -8.112 1.304 8.727 475 H TYR 71 H TYR 71 -8.340 0.991 6.219 476 HA TYR 71 HA TYR 71 -7.859 -1.895 6.325 477 HB2 TYR 71 1HB TYR 71 -7.757 -0.222 3.808 478 HB3 TYR 71 2HB TYR 71 -7.128 -1.861 3.938 479 HD1 TYR 71 1HD TYR 71 -10.238 0.150 4.203 480 HD2 TYR 71 2HD TYR 71 -8.545 -3.715 3.657 481 HE1 TYR 71 1HE TYR 71 -12.462 -0.739 3.644 482 HE2 TYR 71 2HE TYR 71 -10.764 -4.615 3.095 483 HH TYR 71 HH TYR 71 -12.910 -3.858 2.299 484 H VAL 72 H VAL 72 -5.924 -2.223 7.175 485 HA VAL 72 HA VAL 72 -3.872 -0.135 6.881 486 HB VAL 72 HB VAL 72 -3.877 -2.364 8.912 487 HG11 VAL 72 1HG1 VAL 72 -2.027 -1.414 9.805 488 HG12 VAL 72 2HG1 VAL 72 -1.818 -0.823 8.155 489 HG13 VAL 72 3HG1 VAL 72 -2.531 0.223 9.384 490 HG21 VAL 72 3HG2 VAL 72 -5.614 -1.316 9.859 491 HG22 VAL 72 1HG2 VAL 72 -4.449 -0.065 10.294 492 HG23 VAL 72 2HG2 VAL 72 -5.427 0.109 8.836 493 H PHE 73 H PHE 73 -2.517 -0.575 5.268 494 HA PHE 73 HA PHE 73 -1.704 -3.368 4.827 495 HB2 PHE 73 1HB PHE 73 -1.546 -1.005 2.944 496 HB3 PHE 73 2HB PHE 73 -1.050 -2.651 2.564 497 HD1 PHE 73 2HD PHE 73 -3.884 -0.409 3.102 498 HD2 PHE 73 1HD PHE 73 -2.682 -4.380 2.152 499 HE1 PHE 73 2HE PHE 73 -6.170 -0.916 2.344 500 HE2 PHE 73 1HE PHE 73 -4.966 -4.893 1.392 501 HZ PHE 73 HZ PHE 73 -6.713 -3.160 1.488 502 H THR 74 H THR 74 0.297 -3.953 5.331 503 HA THR 74 HA THR 74 2.232 -1.877 6.045 504 HB THR 74 HB THR 74 2.158 -4.838 6.626 505 HG1 THR 74 1HG THR 74 0.987 -2.965 7.849 506 HG21 THR 74 3HG2 THR 74 4.320 -2.817 7.207 507 HG22 THR 74 1HG2 THR 74 4.464 -4.301 6.267 508 HG23 THR 74 2HG2 THR 74 4.199 -4.383 8.009 509 H LEU 75 H LEU 75 4.130 -1.577 5.001 510 HA LEU 75 HA LEU 75 4.609 -3.239 2.619 511 HB2 LEU 75 1HB LEU 75 4.227 -1.050 1.895 512 HB3 LEU 75 2HB LEU 75 5.151 -0.354 3.225 513 HG LEU 75 HG LEU 75 7.200 -1.413 2.113 514 HD11 LEU 75 1HD1 LEU 75 5.623 -1.286 -0.411 515 HD12 LEU 75 2HD1 LEU 75 5.558 -2.750 0.570 516 HD13 LEU 75 3HD1 LEU 75 7.105 -2.171 -0.047 517 HD21 LEU 75 3HD2 LEU 75 7.264 0.852 1.955 518 HD22 LEU 75 1HD2 LEU 75 5.651 0.961 1.250 519 HD23 LEU 75 2HD2 LEU 75 7.019 0.477 0.248 520 H THR 76 H THR 76 6.011 -4.784 3.238 521 HA THR 76 HA THR 76 8.333 -4.037 4.861 522 HB THR 76 HB THR 76 7.309 -6.772 4.076 523 HG1 THR 76 1HG THR 76 6.261 -5.270 5.782 524 HG21 THR 76 3HG2 THR 76 9.597 -7.096 4.377 525 HG22 THR 76 1HG2 THR 76 8.938 -7.427 5.978 526 HG23 THR 76 2HG2 THR 76 9.703 -5.874 5.644 527 H VAL 77 H VAL 77 10.178 -3.579 3.875 528 HA VAL 77 HA VAL 77 10.818 -4.964 1.355 529 HB VAL 77 HB VAL 77 11.781 -2.985 0.420 530 HG11 VAL 77 1HG1 VAL 77 9.106 -3.317 0.793 531 HG12 VAL 77 2HG1 VAL 77 9.349 -1.681 1.408 532 HG13 VAL 77 3HG1 VAL 77 9.833 -2.085 -0.239 533 HG21 VAL 77 3HG2 VAL 77 12.758 -1.585 1.868 534 HG22 VAL 77 1HG2 VAL 77 11.166 -0.840 2.010 535 HG23 VAL 77 2HG2 VAL 77 11.681 -2.050 3.185 536 H LYS 78 H LYS 78 13.140 -5.020 0.862 537 HA LYS 78 HA LYS 78 14.827 -4.870 3.269 538 HB2 LYS 78 1HB LYS 78 14.382 -7.159 1.411 539 HB3 LYS 78 2HB LYS 78 16.001 -6.926 2.058 540 HG2 LYS 78 1HG LYS 78 15.311 -7.296 4.251 541 HG3 LYS 78 2HG LYS 78 13.613 -7.005 3.864 542 HD2 LYS 78 1HD LYS 78 15.089 -9.288 2.607 543 HD3 LYS 78 2HD LYS 78 14.431 -9.438 4.238 544 HE2 LYS 78 1HE LYS 78 12.268 -8.472 3.055 545 HE3 LYS 78 2HE LYS 78 13.026 -9.179 1.629 546 HZ1 LYS 78 3HZ LYS 78 11.606 -10.806 2.574 547 HZ2 LYS 78 1HZ LYS 78 12.241 -10.575 4.125 548 HZ3 LYS 78 2HZ LYS 78 13.191 -11.287 2.921 549 H ASP 79 H ASP 79 17.173 -4.836 2.760 550 HA ASP 79 HA ASP 79 17.702 -3.555 0.160 551 HB2 ASP 79 1HB ASP 79 18.646 -2.740 2.905 552 HB3 ASP 79 2HB ASP 79 19.460 -2.206 1.437 553 H GLU 80 H GLU 80 20.301 -3.348 0.026 554 HA GLU 80 HA GLU 80 21.268 -5.861 -0.560 555 HB2 GLU 80 1HB GLU 80 22.282 -3.769 -1.371 556 HB3 GLU 80 2HB GLU 80 22.886 -3.437 0.247 557 HG2 GLU 80 1HG GLU 80 24.711 -4.303 -0.926 558 HG3 GLU 80 2HG GLU 80 24.137 -5.632 0.079 559 H ARG 81 H ARG 81 21.526 -4.050 2.454 560 HA ARG 81 HA ARG 81 23.116 -6.141 3.695 561 HB2 ARG 81 1HB ARG 81 22.016 -3.538 4.766 562 HB3 ARG 81 2HB ARG 81 22.997 -4.656 5.704 563 HG2 ARG 81 1HG ARG 81 24.884 -4.306 4.291 564 HG3 ARG 81 2HG ARG 81 23.916 -3.383 3.139 565 HD2 ARG 81 1HD ARG 81 23.480 -1.737 4.990 566 HD3 ARG 81 2HD ARG 81 24.682 -2.604 5.945 567 HE ARG 81 HE ARG 81 25.674 -1.808 3.383 568 HH11 ARG 81 2HH1 ARG 81 25.066 -0.732 6.638 569 HH12 ARG 81 1HH1 ARG 81 26.278 0.505 6.594 570 HH21 ARG 81 2HH2 ARG 81 27.272 -0.183 3.313 571 HH22 ARG 81 1HH2 ARG 81 27.532 0.818 4.702 572 H ASN 82 H ASN 82 20.424 -6.773 2.783 573 HA ASN 82 HA ASN 82 18.453 -7.698 3.492 574 HB2 ASN 82 1HB ASN 82 18.735 -9.429 5.192 575 HB3 ASN 82 2HB ASN 82 20.105 -9.434 4.085 576 HD21 ASN 82 1HD2 ASN 82 19.028 -8.830 7.309 577 HD22 ASN 82 2HD2 ASN 82 20.591 -8.634 8.020 578 H LEU 83 H LEU 83 18.960 -5.008 4.478 579 HA LEU 83 HA LEU 83 18.223 -4.788 7.204 580 HB2 LEU 83 1HB LEU 83 18.420 -2.946 4.885 581 HB3 LEU 83 2HB LEU 83 17.461 -2.420 6.267 582 HG LEU 83 HG LEU 83 20.345 -3.278 6.461 583 HD11 LEU 83 1HD1 LEU 83 20.892 -0.906 6.574 584 HD12 LEU 83 2HD1 LEU 83 19.206 -0.493 6.262 585 HD13 LEU 83 3HD1 LEU 83 20.156 -1.313 5.023 586 HD21 LEU 83 3HD2 LEU 83 20.175 -1.980 8.603 587 HD22 LEU 83 1HD2 LEU 83 19.241 -3.475 8.558 588 HD23 LEU 83 2HD2 LEU 83 18.430 -1.923 8.350 589 H GLN 84 H GLN 84 16.351 -5.479 7.997 590 HA GLN 84 HA GLN 84 13.970 -5.551 6.343 591 HB2 GLN 84 1HB GLN 84 14.705 -7.374 7.993 592 HB3 GLN 84 2HB GLN 84 14.129 -6.294 9.256 593 HG2 GLN 84 1HG GLN 84 12.298 -6.922 7.006 594 HG3 GLN 84 2HG GLN 84 12.597 -8.167 8.217 595 HE21 GLN 84 1HE2 GLN 84 10.140 -7.588 8.234 596 HE22 GLN 84 2HE2 GLN 84 9.677 -6.465 9.461 597 H SER 85 H SER 85 12.358 -4.118 6.387 598 HA SER 85 HA SER 85 12.219 -2.224 8.633 599 HB2 SER 85 1HB SER 85 11.764 -1.430 5.752 600 HB3 SER 85 2HB SER 85 11.874 -0.370 7.157 601 HG SER 85 HG SER 85 13.813 -0.515 5.831 602 H GLN 86 H GLN 86 10.052 -0.808 8.106 603 HA GLN 86 HA GLN 86 7.874 -2.386 7.102 604 HB2 GLN 86 1HB GLN 86 8.498 -3.139 9.561 605 HB3 GLN 86 2HB GLN 86 7.580 -1.703 9.993 606 HG2 GLN 86 1HG GLN 86 5.661 -2.577 8.727 607 HG3 GLN 86 2HG GLN 86 6.584 -4.037 8.375 608 HE21 GLN 86 1HE2 GLN 86 6.802 -5.588 9.917 609 HE22 GLN 86 2HE2 GLN 86 6.001 -5.538 11.446 610 H SER 87 H SER 87 6.188 -1.126 6.520 611 HA SER 87 HA SER 87 5.853 1.513 7.696 612 HB2 SER 87 1HB SER 87 7.490 1.676 5.734 613 HB3 SER 87 2HB SER 87 6.117 1.282 4.699 614 HG SER 87 HG SER 87 6.687 3.606 6.091 615 H SER 88 H SER 88 3.782 1.442 8.262 616 HA SER 88 HA SER 88 1.852 0.128 6.487 617 HB2 SER 88 1HB SER 88 1.213 1.137 9.247 618 HB3 SER 88 2HB SER 88 0.456 -0.176 8.345 619 HG SER 88 HG SER 88 2.444 -1.336 8.593 620 H VAL 89 H VAL 89 -0.068 1.157 5.853 621 HA VAL 89 HA VAL 89 -0.115 4.082 6.196 622 HB VAL 89 HB VAL 89 0.728 3.512 3.946 623 HG11 VAL 89 1HG1 VAL 89 -0.167 1.912 2.687 624 HG12 VAL 89 2HG1 VAL 89 -1.215 1.510 4.049 625 HG13 VAL 89 3HG1 VAL 89 -1.771 2.635 2.810 626 HG21 VAL 89 3HG2 VAL 89 -0.306 5.586 3.980 627 HG22 VAL 89 1HG2 VAL 89 -1.168 4.755 2.685 628 HG23 VAL 89 2HG2 VAL 89 -1.902 4.900 4.282 629 H ASN 90 H ASN 90 -2.109 5.026 6.434 630 HA ASN 90 HA ASN 90 -4.292 3.208 7.065 631 HB2 ASN 90 1HB ASN 90 -3.738 6.108 7.608 632 HB3 ASN 90 2HB ASN 90 -5.375 5.478 7.767 633 HD21 ASN 90 1HD2 ASN 90 -3.635 6.555 9.809 634 HD22 ASN 90 2HD2 ASN 90 -3.429 5.307 10.986 635 H VAL 91 H VAL 91 -5.725 2.682 5.564 636 HA VAL 91 HA VAL 91 -6.268 4.593 3.390 637 HB VAL 91 HB VAL 91 -6.657 1.597 3.433 638 HG11 VAL 91 1HG1 VAL 91 -6.802 3.057 0.887 639 HG12 VAL 91 2HG1 VAL 91 -7.771 1.708 1.482 640 HG13 VAL 91 3HG1 VAL 91 -8.138 3.354 1.998 641 HG21 VAL 91 3HG2 VAL 91 -4.350 3.117 2.976 642 HG22 VAL 91 1HG2 VAL 91 -4.592 1.404 2.632 643 HG23 VAL 91 2HG2 VAL 91 -4.910 2.608 1.383 644 H ILE 92 H ILE 92 -8.002 5.765 3.966 645 HA ILE 92 HA ILE 92 -10.270 4.441 5.258 646 HB ILE 92 HB ILE 92 -9.690 7.368 4.802 647 HG12 ILE 92 1HG1 ILE 92 -10.009 6.104 7.488 648 HG13 ILE 92 2HG1 ILE 92 -8.503 5.838 6.617 649 HG21 ILE 92 1HG2 ILE 92 -11.670 7.792 6.198 650 HG22 ILE 92 2HG2 ILE 92 -12.078 6.983 4.685 651 HG23 ILE 92 3HG2 ILE 92 -12.028 6.065 6.190 652 HD11 ILE 92 3HD1 ILE 92 -9.629 8.572 7.135 653 HD12 ILE 92 1HD1 ILE 92 -8.521 7.755 8.237 654 HD13 ILE 92 2HD1 ILE 92 -8.005 8.145 6.596 655 H VAL 93 H VAL 93 -12.204 4.150 4.296 656 HA VAL 93 HA VAL 93 -12.525 5.186 1.553 657 HB VAL 93 HB VAL 93 -13.523 2.554 2.652 658 HG11 VAL 93 1HG1 VAL 93 -14.253 4.128 0.300 659 HG12 VAL 93 2HG1 VAL 93 -13.809 2.459 -0.066 660 HG13 VAL 93 3HG1 VAL 93 -15.104 2.798 1.084 661 HG21 VAL 93 3HG2 VAL 93 -11.938 1.501 1.204 662 HG22 VAL 93 1HG2 VAL 93 -11.479 3.049 0.495 663 HG23 VAL 93 2HG2 VAL 93 -11.073 2.693 2.174 664 H LYS 94 H LYS 94 -14.311 6.326 1.135 665 HA LYS 94 HA LYS 94 -16.493 6.260 3.116 666 HB2 LYS 94 1HB LYS 94 -15.261 8.599 1.674 667 HB3 LYS 94 2HB LYS 94 -16.873 8.689 2.372 668 HG2 LYS 94 1HG LYS 94 -16.076 8.498 4.549 669 HG3 LYS 94 2HG LYS 94 -14.527 7.835 4.023 670 HD2 LYS 94 1HD LYS 94 -13.998 10.030 2.989 671 HD3 LYS 94 2HD LYS 94 -15.500 10.669 3.662 672 HE2 LYS 94 1HE LYS 94 -14.638 9.967 5.928 673 HE3 LYS 94 2HE LYS 94 -13.087 9.655 5.151 674 HZ1 LYS 94 3HZ LYS 94 -13.648 11.969 6.235 675 HZ2 LYS 94 1HZ LYS 94 -14.324 12.267 4.713 676 HZ3 LYS 94 2HZ LYS 94 -12.689 11.855 4.846 677 H GLU 95 H GLU 95 -18.559 7.269 2.132 678 HA GLU 95 HA GLU 95 -19.118 5.793 -0.302 679 HB2 GLU 95 1HB GLU 95 -20.754 7.117 1.811 680 HB3 GLU 95 2HB GLU 95 -21.478 6.881 0.227 681 HG2 GLU 95 1HG GLU 95 -20.152 4.591 1.599 682 HG3 GLU 95 2HG GLU 95 -21.772 5.088 2.083 683 H GLU 96 H GLU 96 -20.208 6.749 -2.126 684 HA GLU 96 HA GLU 96 -18.945 8.923 -3.234 685 HB2 GLU 96 1HB GLU 96 -20.328 7.294 -4.487 686 HB3 GLU 96 2HB GLU 96 -21.775 8.032 -3.813 687 HG2 GLU 96 1HG GLU 96 -20.864 10.209 -4.865 688 HG3 GLU 96 2HG GLU 96 -19.864 9.125 -5.831 689 H SER 97 H SER 97 -18.778 10.797 -2.129 690 HA SER 97 HA SER 97 -20.603 11.982 -0.446 691 HB2 SER 97 1HB SER 97 -18.241 12.724 -0.782 692 HB3 SER 97 2HB SER 97 -18.732 13.471 -2.302 693 HG SER 97 HG SER 97 -20.088 14.845 -1.144 694 H GLY 98 H GLY 98 -22.466 13.063 -0.661 695 HA2 GLY 98 1HA GLY 98 -24.053 14.445 -1.696 696 HA3 GLY 98 2HA GLY 98 -23.171 14.288 -3.208 697 HA PRO 99 HA PRO 99 -26.984 11.431 -2.924 698 HB2 PRO 99 1HB PRO 99 -28.705 12.881 -4.442 699 HB3 PRO 99 2HB PRO 99 -28.601 13.046 -2.686 700 HG2 PRO 99 1HG PRO 99 -27.392 14.757 -4.824 701 HG3 PRO 99 2HG PRO 99 -28.202 15.246 -3.324 702 HD2 PRO 99 1HD PRO 99 -25.507 15.198 -3.575 703 HD3 PRO 99 2HD PRO 99 -26.329 14.860 -2.038 704 H SER 100 H SER 100 -28.230 10.622 -4.941 705 HA SER 100 HA SER 100 -27.064 11.053 -7.505 706 HB2 SER 100 1HB SER 100 -25.323 9.643 -6.273 707 HB3 SER 100 2HB SER 100 -26.502 8.333 -6.323 708 HG SER 100 HG SER 100 -26.356 8.268 -8.500 709 H SER 101 H SER 101 -27.989 9.599 -9.156 710 HA SER 101 HA SER 101 -30.517 8.369 -8.284 711 HB2 SER 101 1HB SER 101 -30.114 10.108 -10.730 712 HB3 SER 101 2HB SER 101 -31.600 9.250 -10.323 713 HG SER 101 HG SER 101 -31.332 10.510 -8.228 714 H GLY 102 H GLY 102 -31.405 6.807 -9.851 715 HA2 GLY 102 1HA GLY 102 -31.211 4.991 -11.247 716 HA3 GLY 102 2HA GLY 102 -29.845 5.804 -11.996 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.323 -5.203 17.552 2 HA2 GLY 1 1HA GLY 1 7.468 -6.035 17.281 3 HA3 GLY 1 2HA GLY 1 7.349 -5.688 15.562 4 H SER 2 H SER 2 8.440 -3.996 14.774 5 HA SER 2 HA SER 2 9.210 -1.810 16.543 6 HB2 SER 2 1HB SER 2 11.553 -1.972 16.090 7 HB3 SER 2 2HB SER 2 11.028 -3.573 16.611 8 HG SER 2 HG SER 2 11.943 -4.182 14.816 9 H SER 3 H SER 3 10.422 -0.086 15.240 10 HA SER 3 HA SER 3 10.099 0.003 12.420 11 HB2 SER 3 1HB SER 3 8.346 1.711 12.283 12 HB3 SER 3 2HB SER 3 7.725 0.249 13.050 13 HG SER 3 HG SER 3 8.118 2.777 14.099 14 H GLY 4 H GLY 4 10.912 1.952 11.490 15 HA2 GLY 4 1HA GLY 4 12.626 3.435 13.365 16 HA3 GLY 4 2HA GLY 4 12.913 3.261 11.640 17 H SER 5 H SER 5 12.576 5.613 13.562 18 HA SER 5 HA SER 5 10.218 6.970 12.659 19 HB2 SER 5 1HB SER 5 11.151 8.912 13.874 20 HB3 SER 5 2HB SER 5 11.155 7.454 14.865 21 HG SER 5 HG SER 5 13.318 8.764 13.623 22 H SER 6 H SER 6 13.681 7.188 11.937 23 HA SER 6 HA SER 6 13.867 9.372 10.357 24 HB2 SER 6 1HB SER 6 15.808 8.011 10.734 25 HB3 SER 6 2HB SER 6 15.085 6.644 9.887 26 HG SER 6 HG SER 6 15.352 9.041 8.488 27 H GLY 7 H GLY 7 13.138 6.154 8.985 28 HA2 GLY 7 1HA GLY 7 10.965 6.263 7.608 29 HA3 GLY 7 2HA GLY 7 11.825 7.520 6.732 30 H GLN 8 H GLN 8 12.438 4.193 7.867 31 HA GLN 8 HA GLN 8 14.314 3.574 5.871 32 HB2 GLN 8 1HB GLN 8 12.503 1.688 7.388 33 HB3 GLN 8 2HB GLN 8 13.960 1.236 6.515 34 HG2 GLN 8 1HG GLN 8 15.103 2.964 8.097 35 HG3 GLN 8 2HG GLN 8 13.674 2.696 9.095 36 HE21 GLN 8 1HE2 GLN 8 13.974 1.243 10.608 37 HE22 GLN 8 2HE2 GLN 8 14.985 -0.154 10.503 38 H ALA 9 H ALA 9 10.852 2.768 6.091 39 HA ALA 9 HA ALA 9 10.872 2.320 3.177 40 HB1 ALA 9 3HB ALA 9 8.596 1.097 4.363 41 HB2 ALA 9 1HB ALA 9 9.941 0.337 3.513 42 HB3 ALA 9 2HB ALA 9 10.030 0.593 5.256 43 H ASP 10 H ASP 10 9.161 3.131 1.959 44 HA ASP 10 HA ASP 10 7.479 5.115 3.347 45 HB2 ASP 10 1HB ASP 10 9.234 6.034 1.782 46 HB3 ASP 10 2HB ASP 10 8.371 5.248 0.463 47 H ALA 11 H ALA 11 5.437 4.479 3.455 48 HA ALA 11 HA ALA 11 4.364 2.744 1.343 49 HB1 ALA 11 3HB ALA 11 3.714 3.124 4.224 50 HB2 ALA 11 1HB ALA 11 2.450 2.564 3.129 51 HB3 ALA 11 2HB ALA 11 3.940 1.636 3.304 52 H GLY 12 H GLY 12 4.688 5.760 1.317 53 HA2 GLY 12 1HA GLY 12 3.519 7.487 0.343 54 HA3 GLY 12 2HA GLY 12 2.231 6.340 0.004 55 HA PRO 13 HA PRO 13 1.211 9.373 3.554 56 HB2 PRO 13 1HB PRO 13 -0.323 11.142 2.180 57 HB3 PRO 13 2HB PRO 13 1.419 11.350 2.401 58 HG2 PRO 13 1HG PRO 13 -0.077 10.281 0.039 59 HG3 PRO 13 2HG PRO 13 1.296 11.403 0.080 60 HD2 PRO 13 1HD PRO 13 1.583 8.770 -0.483 61 HD3 PRO 13 2HD PRO 13 2.834 9.709 0.356 62 H ASP 14 H ASP 14 -0.936 9.700 4.443 63 HA ASP 14 HA ASP 14 -2.589 7.594 4.517 64 HB2 ASP 14 1HB ASP 14 -4.300 8.985 5.403 65 HB3 ASP 14 2HB ASP 14 -2.776 9.753 5.842 66 H LYS 15 H LYS 15 -4.211 6.671 3.366 67 HA LYS 15 HA LYS 15 -4.670 7.748 0.670 68 HB2 LYS 15 1HB LYS 15 -4.638 4.995 1.823 69 HB3 LYS 15 2HB LYS 15 -5.672 5.305 0.434 70 HG2 LYS 15 1HG LYS 15 -2.785 6.088 0.394 71 HG3 LYS 15 2HG LYS 15 -3.284 4.432 0.042 72 HD2 LYS 15 1HD LYS 15 -4.645 5.172 -1.794 73 HD3 LYS 15 2HD LYS 15 -4.367 6.864 -1.376 74 HE2 LYS 15 1HE LYS 15 -1.971 6.563 -1.847 75 HE3 LYS 15 2HE LYS 15 -2.283 4.889 -2.306 76 HZ1 LYS 15 3HZ LYS 15 -2.178 6.770 -4.094 77 HZ2 LYS 15 1HZ LYS 15 -3.791 7.015 -3.648 78 HZ3 LYS 15 2HZ LYS 15 -3.297 5.509 -4.238 79 H GLU 16 H GLU 16 -6.621 8.467 0.086 80 HA GLU 16 HA GLU 16 -8.939 7.745 1.747 81 HB2 GLU 16 1HB GLU 16 -7.861 10.146 2.025 82 HB3 GLU 16 2HB GLU 16 -8.777 10.480 0.562 83 HG2 GLU 16 1HG GLU 16 -10.728 9.376 1.955 84 HG3 GLU 16 2HG GLU 16 -9.730 9.902 3.310 85 H LEU 17 H LEU 17 -10.259 6.615 0.488 86 HA LEU 17 HA LEU 17 -10.555 7.418 -2.329 87 HB2 LEU 17 1HB LEU 17 -11.324 4.756 -1.168 88 HB3 LEU 17 2HB LEU 17 -11.120 5.187 -2.864 89 HG LEU 17 HG LEU 17 -8.775 5.283 -1.010 90 HD11 LEU 17 1HD1 LEU 17 -10.236 3.008 -1.146 91 HD12 LEU 17 2HD1 LEU 17 -8.490 3.059 -0.904 92 HD13 LEU 17 3HD1 LEU 17 -9.148 2.791 -2.518 93 HD21 LEU 17 3HD2 LEU 17 -8.900 6.113 -3.473 94 HD22 LEU 17 1HD2 LEU 17 -8.802 4.395 -3.863 95 HD23 LEU 17 2HD2 LEU 17 -7.512 5.164 -2.939 96 H THR 18 H THR 18 -12.596 7.658 -3.213 97 HA THR 18 HA THR 18 -14.829 7.668 -1.287 98 HB THR 18 HB THR 18 -14.626 9.539 -3.644 99 HG1 THR 18 1HG THR 18 -12.979 9.664 -1.737 100 HG21 THR 18 3HG2 THR 18 -16.222 10.853 -2.165 101 HG22 THR 18 1HG2 THR 18 -16.353 9.395 -1.181 102 HG23 THR 18 2HG2 THR 18 -16.856 9.367 -2.872 103 H LEU 19 H LEU 19 -16.156 6.047 -1.769 104 HA LEU 19 HA LEU 19 -16.307 4.480 -3.961 105 HB2 LEU 19 1HB LEU 19 -18.359 5.372 -2.000 106 HB3 LEU 19 2HB LEU 19 -18.890 4.448 -3.404 107 HG LEU 19 HG LEU 19 -16.735 3.442 -1.567 108 HD11 LEU 19 1HD1 LEU 19 -19.271 2.183 -1.124 109 HD12 LEU 19 2HD1 LEU 19 -19.395 3.914 -0.817 110 HD13 LEU 19 3HD1 LEU 19 -18.187 2.953 0.034 111 HD21 LEU 19 3HD2 LEU 19 -16.926 2.368 -3.744 112 HD22 LEU 19 1HD2 LEU 19 -18.644 2.080 -3.465 113 HD23 LEU 19 2HD2 LEU 19 -17.440 1.273 -2.460 114 HA PRO 20 HA PRO 20 -18.276 3.394 -4.972 115 HB2 PRO 20 1HB PRO 20 -18.124 2.615 -7.568 116 HB3 PRO 20 2HB PRO 20 -19.613 3.219 -6.832 117 HG2 PRO 20 1HG PRO 20 -17.632 4.659 -8.553 118 HG3 PRO 20 2HG PRO 20 -19.404 4.710 -8.604 119 HD2 PRO 20 1HD PRO 20 -17.924 6.652 -7.433 120 HD3 PRO 20 2HD PRO 20 -19.538 6.197 -6.848 121 H VAL 21 H VAL 21 -15.739 5.278 -6.093 122 HA VAL 21 HA VAL 21 -13.866 3.566 -7.145 123 HB VAL 21 HB VAL 21 -13.377 5.797 -5.167 124 HG11 VAL 21 1HG1 VAL 21 -11.115 5.835 -6.368 125 HG12 VAL 21 2HG1 VAL 21 -11.390 4.561 -5.179 126 HG13 VAL 21 3HG1 VAL 21 -11.517 4.203 -6.901 127 HG21 VAL 21 3HG2 VAL 21 -14.578 6.496 -7.188 128 HG22 VAL 21 1HG2 VAL 21 -12.946 7.162 -7.138 129 HG23 VAL 21 2HG2 VAL 21 -13.306 5.789 -8.184 130 H ASP 22 H ASP 22 -14.092 1.499 -6.226 131 HA ASP 22 HA ASP 22 -13.207 1.223 -3.437 132 HB2 ASP 22 1HB ASP 22 -14.960 -0.395 -5.218 133 HB3 ASP 22 2HB ASP 22 -14.003 -1.258 -4.017 134 H SER 23 H SER 23 -11.234 1.857 -5.246 135 HA SER 23 HA SER 23 -9.471 -0.387 -4.945 136 HB2 SER 23 1HB SER 23 -8.916 -0.659 -7.314 137 HB3 SER 23 2HB SER 23 -10.625 -1.001 -7.042 138 HG SER 23 HG SER 23 -9.906 1.612 -7.710 139 H THR 24 H THR 24 -7.362 0.234 -4.873 140 HA THR 24 HA THR 24 -6.615 2.883 -5.851 141 HB THR 24 HB THR 24 -7.357 3.044 -3.413 142 HG1 THR 24 1HG THR 24 -5.922 4.553 -4.503 143 HG21 THR 24 3HG2 THR 24 -5.667 2.358 -1.749 144 HG22 THR 24 1HG2 THR 24 -4.760 1.549 -3.027 145 HG23 THR 24 2HG2 THR 24 -6.372 0.979 -2.593 146 H THR 25 H THR 25 -4.195 3.240 -5.520 147 HA THR 25 HA THR 25 -2.760 0.686 -5.855 148 HB THR 25 HB THR 25 -1.196 1.993 -7.375 149 HG1 THR 25 1HG THR 25 -1.783 3.963 -8.024 150 HG21 THR 25 3HG2 THR 25 -3.748 0.797 -7.907 151 HG22 THR 25 1HG2 THR 25 -2.289 0.787 -8.897 152 HG23 THR 25 2HG2 THR 25 -3.454 2.103 -9.055 153 H LEU 26 H LEU 26 -1.188 0.368 -4.431 154 HA LEU 26 HA LEU 26 -0.255 2.621 -2.819 155 HB2 LEU 26 1HB LEU 26 0.168 -0.344 -2.474 156 HB3 LEU 26 2HB LEU 26 0.695 0.904 -1.347 157 HG LEU 26 HG LEU 26 -2.206 0.575 -2.031 158 HD11 LEU 26 1HD1 LEU 26 -1.537 -0.667 0.458 159 HD12 LEU 26 2HD1 LEU 26 -0.632 -1.429 -0.849 160 HD13 LEU 26 3HD1 LEU 26 -2.392 -1.339 -0.931 161 HD21 LEU 26 3HD2 LEU 26 -1.313 2.591 -0.816 162 HD22 LEU 26 1HD2 LEU 26 -0.879 1.505 0.505 163 HD23 LEU 26 2HD2 LEU 26 -2.569 1.686 0.032 164 H ASP 27 H ASP 27 1.133 3.590 -4.340 165 HA ASP 27 HA ASP 27 3.324 2.072 -5.458 166 HB2 ASP 27 1HB ASP 27 3.865 4.002 -6.684 167 HB3 ASP 27 2HB ASP 27 2.107 4.049 -6.569 168 H GLY 28 H GLY 28 5.159 1.670 -4.426 169 HA2 GLY 28 1HA GLY 28 6.002 3.550 -2.306 170 HA3 GLY 28 2HA GLY 28 6.191 1.809 -2.163 171 H SER 29 H SER 29 6.777 3.606 -5.118 172 HA SER 29 HA SER 29 9.371 2.478 -5.410 173 HB2 SER 29 1HB SER 29 7.774 4.516 -6.929 174 HB3 SER 29 2HB SER 29 9.478 4.269 -7.311 175 HG SER 29 HG SER 29 7.301 2.639 -7.780 176 H LYS 30 H LYS 30 8.155 5.391 -3.997 177 HA LYS 30 HA LYS 30 10.769 6.668 -3.950 178 HB2 LYS 30 1HB LYS 30 8.002 7.490 -3.133 179 HB3 LYS 30 2HB LYS 30 9.398 8.383 -2.540 180 HG2 LYS 30 1HG LYS 30 9.142 7.875 -5.463 181 HG3 LYS 30 2HG LYS 30 8.152 9.128 -4.713 182 HD2 LYS 30 1HD LYS 30 10.085 10.247 -5.432 183 HD3 LYS 30 2HD LYS 30 10.332 9.999 -3.702 184 HE2 LYS 30 1HE LYS 30 11.979 8.444 -4.022 185 HE3 LYS 30 2HE LYS 30 11.328 7.915 -5.573 186 HZ1 LYS 30 3HZ LYS 30 13.391 9.103 -5.880 187 HZ2 LYS 30 1HZ LYS 30 12.782 10.455 -5.065 188 HZ3 LYS 30 2HZ LYS 30 12.119 9.994 -6.551 189 H SER 31 H SER 31 11.051 4.356 -2.666 190 HA SER 31 HA SER 31 11.183 5.156 0.163 191 HB2 SER 31 1HB SER 31 10.725 2.813 0.809 192 HB3 SER 31 2HB SER 31 9.375 3.526 -0.075 193 HG SER 31 HG SER 31 9.780 1.495 -0.913 194 H SER 32 H SER 32 13.342 5.740 -0.015 195 HA SER 32 HA SER 32 15.206 3.533 0.079 196 HB2 SER 32 1HB SER 32 15.456 5.675 -2.047 197 HB3 SER 32 2HB SER 32 16.714 4.505 -1.646 198 HG SER 32 HG SER 32 15.257 3.978 -3.460 199 H ASP 33 H ASP 33 17.028 3.995 1.252 200 HA ASP 33 HA ASP 33 17.039 6.607 2.581 201 HB2 ASP 33 1HB ASP 33 18.421 4.019 3.323 202 HB3 ASP 33 2HB ASP 33 18.489 5.510 4.260 203 H ASP 34 H ASP 34 19.420 4.267 1.321 204 HA ASP 34 HA ASP 34 21.088 6.558 0.513 205 HB2 ASP 34 1HB ASP 34 23.083 5.204 1.005 206 HB3 ASP 34 2HB ASP 34 22.096 5.443 2.445 207 H GLN 35 H GLN 35 20.122 3.229 -0.139 208 HA GLN 35 HA GLN 35 20.888 3.643 -2.950 209 HB2 GLN 35 1HB GLN 35 21.603 1.345 -3.127 210 HB3 GLN 35 2HB GLN 35 22.475 2.113 -1.808 211 HG2 GLN 35 1HG GLN 35 21.265 0.963 -0.179 212 HG3 GLN 35 2HG GLN 35 19.992 0.516 -1.313 213 HE21 GLN 35 1HE2 GLN 35 21.546 -1.182 0.447 214 HE22 GLN 35 2HE2 GLN 35 22.346 -2.332 -0.564 215 H LYS 36 H LYS 36 19.858 1.557 -4.192 216 HA LYS 36 HA LYS 36 17.000 1.929 -3.846 217 HB2 LYS 36 1HB LYS 36 18.707 0.651 -5.968 218 HB3 LYS 36 2HB LYS 36 16.961 0.438 -5.952 219 HG2 LYS 36 1HG LYS 36 16.642 2.837 -6.129 220 HG3 LYS 36 2HG LYS 36 18.389 3.087 -6.080 221 HD2 LYS 36 1HD LYS 36 18.423 1.497 -8.127 222 HD3 LYS 36 2HD LYS 36 16.707 1.890 -8.251 223 HE2 LYS 36 1HE LYS 36 18.765 4.054 -8.014 224 HE3 LYS 36 2HE LYS 36 18.423 3.305 -9.573 225 HZ1 LYS 36 3HZ LYS 36 16.456 4.337 -9.727 226 HZ2 LYS 36 1HZ LYS 36 17.094 5.407 -8.582 227 HZ3 LYS 36 2HZ LYS 36 16.088 4.142 -8.087 228 H ILE 37 H ILE 37 15.500 0.207 -3.649 229 HA ILE 37 HA ILE 37 16.531 -2.010 -2.067 230 HB ILE 37 HB ILE 37 13.624 -1.625 -2.660 231 HG12 ILE 37 1HG1 ILE 37 15.375 0.112 -0.960 232 HG13 ILE 37 2HG1 ILE 37 14.050 0.570 -2.024 233 HG21 ILE 37 1HG2 ILE 37 14.682 -3.565 -1.340 234 HG22 ILE 37 2HG2 ILE 37 14.891 -2.379 -0.053 235 HG23 ILE 37 3HG2 ILE 37 13.276 -2.752 -0.654 236 HD11 ILE 37 3HD1 ILE 37 12.480 -0.466 -0.402 237 HD12 ILE 37 1HD1 ILE 37 13.847 -0.717 0.684 238 HD13 ILE 37 2HD1 ILE 37 13.368 0.920 0.230 239 H ILE 38 H ILE 38 16.068 -4.194 -2.507 240 HA ILE 38 HA ILE 38 15.381 -4.743 -5.321 241 HB ILE 38 HB ILE 38 16.776 -6.814 -5.074 242 HG12 ILE 38 1HG1 ILE 38 16.700 -6.488 -2.460 243 HG13 ILE 38 2HG1 ILE 38 18.107 -7.213 -3.230 244 HG21 ILE 38 1HG2 ILE 38 17.815 -4.039 -5.089 245 HG22 ILE 38 2HG2 ILE 38 18.989 -5.347 -4.944 246 HG23 ILE 38 3HG2 ILE 38 17.900 -5.289 -6.330 247 HD11 ILE 38 3HD1 ILE 38 18.441 -5.392 -1.441 248 HD12 ILE 38 1HD1 ILE 38 19.406 -5.330 -2.916 249 HD13 ILE 38 2HD1 ILE 38 18.007 -4.271 -2.732 250 H SER 39 H SER 39 13.834 -4.709 -2.648 251 HA SER 39 HA SER 39 12.385 -7.185 -3.186 252 HB2 SER 39 1HB SER 39 12.246 -7.697 -0.749 253 HB3 SER 39 2HB SER 39 13.883 -7.833 -1.391 254 HG SER 39 HG SER 39 14.052 -5.534 -0.630 255 H TYR 40 H TYR 40 10.217 -6.997 -2.948 256 HA TYR 40 HA TYR 40 9.121 -4.710 -1.502 257 HB2 TYR 40 1HB TYR 40 8.649 -5.258 -4.434 258 HB3 TYR 40 2HB TYR 40 7.603 -4.222 -3.468 259 HD1 TYR 40 1HD TYR 40 8.807 -2.272 -2.201 260 HD2 TYR 40 2HD TYR 40 10.450 -4.319 -5.550 261 HE1 TYR 40 1HE TYR 40 10.295 -0.361 -2.632 262 HE2 TYR 40 2HE TYR 40 11.943 -2.414 -5.989 263 HH TYR 40 HH TYR 40 12.948 -0.515 -4.647 264 H LEU 41 H LEU 41 7.342 -5.238 -0.399 265 HA LEU 41 HA LEU 41 5.666 -7.450 -1.305 266 HB2 LEU 41 1HB LEU 41 7.127 -8.611 0.136 267 HB3 LEU 41 2HB LEU 41 7.094 -7.319 1.334 268 HG LEU 41 HG LEU 41 4.616 -7.924 1.628 269 HD11 LEU 41 1HD1 LEU 41 4.262 -10.406 1.162 270 HD12 LEU 41 2HD1 LEU 41 5.617 -10.267 0.043 271 HD13 LEU 41 3HD1 LEU 41 4.163 -9.302 -0.210 272 HD21 LEU 41 3HD2 LEU 41 7.035 -9.258 2.622 273 HD22 LEU 41 1HD2 LEU 41 5.536 -10.153 2.870 274 HD23 LEU 41 2HD2 LEU 41 5.700 -8.516 3.504 275 H TRP 42 H TRP 42 3.536 -7.298 -0.686 276 HA TRP 42 HA TRP 42 2.794 -5.062 1.069 277 HB2 TRP 42 1HB TRP 42 1.780 -5.604 -1.717 278 HB3 TRP 42 2HB TRP 42 0.846 -4.663 -0.557 279 HD1 TRP 42 HD TRP 42 3.983 -4.487 -2.724 280 HE1 TRP 42 1HE TRP 42 4.802 -2.048 -2.798 281 HE3 TRP 42 3HE TRP 42 0.863 -2.476 0.791 282 HZ2 TRP 42 2HZ TRP 42 4.205 0.404 -1.533 283 HZ3 TRP 42 3HZ TRP 42 1.052 -0.076 1.301 284 HH2 TRP 42 HH TRP 42 2.689 1.332 0.162 285 H GLU 43 H GLU 43 1.405 -5.655 2.599 286 HA GLU 43 HA GLU 43 -0.529 -7.776 2.072 287 HB2 GLU 43 1HB GLU 43 1.355 -7.847 4.437 288 HB3 GLU 43 2HB GLU 43 0.039 -8.973 4.132 289 HG2 GLU 43 1HG GLU 43 2.222 -8.621 2.124 290 HG3 GLU 43 2HG GLU 43 2.455 -9.651 3.535 291 H LYS 44 H LYS 44 -2.343 -7.740 3.437 292 HA LYS 44 HA LYS 44 -2.818 -5.146 4.668 293 HB2 LYS 44 1HB LYS 44 -4.501 -6.039 3.131 294 HB3 LYS 44 2HB LYS 44 -4.688 -7.464 4.145 295 HG2 LYS 44 1HG LYS 44 -5.618 -6.152 5.922 296 HG3 LYS 44 2HG LYS 44 -5.275 -4.655 5.052 297 HD2 LYS 44 1HD LYS 44 -7.645 -5.330 4.894 298 HD3 LYS 44 2HD LYS 44 -6.852 -5.258 3.319 299 HE2 LYS 44 1HE LYS 44 -7.054 -7.821 4.870 300 HE3 LYS 44 2HE LYS 44 -8.360 -7.272 3.821 301 HZ1 LYS 44 3HZ LYS 44 -6.012 -7.059 2.360 302 HZ2 LYS 44 1HZ LYS 44 -7.273 -8.163 2.130 303 HZ3 LYS 44 2HZ LYS 44 -5.961 -8.572 3.115 304 H THR 45 H THR 45 -2.071 -4.984 6.692 305 HA THR 45 HA THR 45 -1.917 -7.187 8.498 306 HB THR 45 HB THR 45 -1.614 -5.129 10.170 307 HG1 THR 45 1HG THR 45 -0.691 -3.955 7.775 308 HG21 THR 45 3HG2 THR 45 0.365 -6.166 10.105 309 HG22 THR 45 1HG2 THR 45 0.801 -5.054 8.808 310 HG23 THR 45 2HG2 THR 45 0.141 -6.644 8.422 311 H GLN 46 H GLN 46 -4.084 -4.403 8.175 312 HA GLN 46 HA GLN 46 -6.003 -5.801 9.905 313 HB2 GLN 46 1HB GLN 46 -4.908 -3.057 10.201 314 HB3 GLN 46 2HB GLN 46 -6.628 -3.264 10.503 315 HG2 GLN 46 1HG GLN 46 -6.218 -4.828 12.243 316 HG3 GLN 46 2HG GLN 46 -4.506 -4.925 11.833 317 HE21 GLN 46 1HE2 GLN 46 -3.400 -4.058 13.433 318 HE22 GLN 46 2HE2 GLN 46 -3.745 -2.554 14.210 319 H GLY 47 H GLY 47 -8.250 -4.995 9.632 320 HA2 GLY 47 1HA GLY 47 -9.754 -3.637 8.227 321 HA3 GLY 47 2HA GLY 47 -8.685 -4.003 6.881 322 HA PRO 48 HA PRO 48 -12.269 -7.090 7.262 323 HB2 PRO 48 1HB PRO 48 -13.681 -6.281 5.089 324 HB3 PRO 48 2HB PRO 48 -13.956 -5.631 6.710 325 HG2 PRO 48 1HG PRO 48 -12.385 -4.467 4.443 326 HG3 PRO 48 2HG PRO 48 -13.509 -3.663 5.554 327 HD2 PRO 48 1HD PRO 48 -10.821 -3.525 5.850 328 HD3 PRO 48 2HD PRO 48 -11.936 -3.504 7.232 329 H ASP 49 H ASP 49 -11.715 -8.991 6.423 330 HA ASP 49 HA ASP 49 -9.884 -9.248 4.269 331 HB2 ASP 49 1HB ASP 49 -10.125 -10.877 6.159 332 HB3 ASP 49 2HB ASP 49 -11.649 -11.402 5.447 333 H GLY 50 H GLY 50 -10.190 -9.670 2.143 334 HA2 GLY 50 1HA GLY 50 -12.079 -10.861 0.720 335 HA3 GLY 50 2HA GLY 50 -12.914 -9.372 1.137 336 H VAL 51 H VAL 51 -10.715 -7.608 0.984 337 HA VAL 51 HA VAL 51 -10.775 -6.772 -1.624 338 HB VAL 51 HB VAL 51 -8.741 -5.478 -1.174 339 HG11 VAL 51 1HG1 VAL 51 -10.534 -4.330 -0.334 340 HG12 VAL 51 2HG1 VAL 51 -10.954 -5.604 0.813 341 HG13 VAL 51 3HG1 VAL 51 -9.585 -4.539 1.137 342 HG21 VAL 51 3HG2 VAL 51 -7.306 -5.844 0.581 343 HG22 VAL 51 1HG2 VAL 51 -8.535 -6.645 1.560 344 HG23 VAL 51 2HG2 VAL 51 -7.788 -7.499 0.210 345 H GLN 52 H GLN 52 -8.972 -6.669 -3.216 346 HA GLN 52 HA GLN 52 -7.462 -9.196 -3.301 347 HB2 GLN 52 1HB GLN 52 -8.902 -7.807 -5.563 348 HB3 GLN 52 2HB GLN 52 -7.770 -9.134 -5.789 349 HG2 GLN 52 1HG GLN 52 -9.199 -10.603 -4.490 350 HG3 GLN 52 2HG GLN 52 -10.319 -9.274 -4.196 351 HE21 GLN 52 1HE2 GLN 52 -12.053 -10.231 -5.183 352 HE22 GLN 52 2HE2 GLN 52 -12.145 -10.497 -6.887 353 H LEU 53 H LEU 53 -5.359 -8.804 -3.213 354 HA LEU 53 HA LEU 53 -4.324 -6.219 -4.082 355 HB2 LEU 53 1HB LEU 53 -3.386 -8.399 -2.311 356 HB3 LEU 53 2HB LEU 53 -2.151 -7.463 -3.150 357 HG LEU 53 HG LEU 53 -4.250 -5.988 -1.641 358 HD11 LEU 53 1HD1 LEU 53 -3.350 -6.359 0.452 359 HD12 LEU 53 2HD1 LEU 53 -1.836 -6.991 -0.193 360 HD13 LEU 53 3HD1 LEU 53 -3.300 -7.972 -0.262 361 HD21 LEU 53 3HD2 LEU 53 -2.828 -4.492 -2.611 362 HD22 LEU 53 1HD2 LEU 53 -1.450 -5.591 -2.552 363 HD23 LEU 53 2HD2 LEU 53 -1.974 -4.756 -1.090 364 H GLU 54 H GLU 54 -3.093 -5.914 -5.845 365 HA GLU 54 HA GLU 54 -2.265 -8.301 -7.362 366 HB2 GLU 54 1HB GLU 54 -3.636 -5.805 -8.246 367 HB3 GLU 54 2HB GLU 54 -2.482 -6.548 -9.344 368 HG2 GLU 54 1HG GLU 54 -4.380 -7.582 -10.030 369 HG3 GLU 54 2HG GLU 54 -3.862 -8.719 -8.786 370 H ASN 55 H ASN 55 -0.208 -8.374 -8.091 371 HA ASN 55 HA ASN 55 1.987 -7.842 -8.363 372 HB2 ASN 55 1HB ASN 55 0.624 -5.225 -8.776 373 HB3 ASN 55 2HB ASN 55 2.371 -5.210 -8.552 374 HD21 ASN 55 1HD2 ASN 55 -0.248 -6.115 -10.613 375 HD22 ASN 55 2HD2 ASN 55 0.706 -6.547 -11.987 376 H ALA 56 H ALA 56 0.747 -7.994 -5.694 377 HA ALA 56 HA ALA 56 1.682 -6.102 -3.898 378 HB1 ALA 56 3HB ALA 56 1.212 -7.622 -2.215 379 HB2 ALA 56 1HB ALA 56 0.178 -8.177 -3.531 380 HB3 ALA 56 2HB ALA 56 1.696 -9.009 -3.191 381 H ASN 57 H ASN 57 3.412 -8.587 -5.601 382 HA ASN 57 HA ASN 57 5.771 -8.327 -3.924 383 HB2 ASN 57 1HB ASN 57 4.938 -10.505 -5.025 384 HB3 ASN 57 2HB ASN 57 5.626 -9.859 -6.511 385 HD21 ASN 57 1HD2 ASN 57 6.487 -10.391 -3.113 386 HD22 ASN 57 2HD2 ASN 57 8.110 -10.894 -3.427 387 H SER 58 H SER 58 4.676 -6.091 -5.607 388 HA SER 58 HA SER 58 7.174 -5.495 -7.045 389 HB2 SER 58 1HB SER 58 4.339 -4.996 -7.957 390 HB3 SER 58 2HB SER 58 5.726 -4.167 -8.663 391 HG SER 58 HG SER 58 5.880 -5.869 -9.877 392 H SER 59 H SER 59 7.636 -3.198 -7.271 393 HA SER 59 HA SER 59 7.535 -1.800 -4.895 394 HB2 SER 59 1HB SER 59 8.112 0.223 -6.288 395 HB3 SER 59 2HB SER 59 9.140 -1.182 -6.570 396 HG SER 59 HG SER 59 6.877 -0.549 -8.156 397 H VAL 60 H VAL 60 5.170 -1.983 -7.429 398 HA VAL 60 HA VAL 60 3.463 -0.109 -5.923 399 HB VAL 60 HB VAL 60 3.572 -0.486 -8.919 400 HG11 VAL 60 1HG1 VAL 60 1.554 0.755 -7.132 401 HG12 VAL 60 2HG1 VAL 60 1.928 1.579 -8.646 402 HG13 VAL 60 3HG1 VAL 60 1.344 -0.085 -8.668 403 HG21 VAL 60 3HG2 VAL 60 3.978 2.082 -8.677 404 HG22 VAL 60 1HG2 VAL 60 4.499 1.649 -7.049 405 HG23 VAL 60 2HG2 VAL 60 5.313 0.953 -8.450 406 H ALA 61 H ALA 61 1.746 -1.067 -5.077 407 HA ALA 61 HA ALA 61 0.713 -3.509 -6.365 408 HB1 ALA 61 3HB ALA 61 0.556 -2.699 -3.464 409 HB2 ALA 61 1HB ALA 61 -0.120 -4.172 -4.161 410 HB3 ALA 61 2HB ALA 61 1.627 -3.923 -4.146 411 H THR 62 H THR 62 -1.646 -3.893 -5.990 412 HA THR 62 HA THR 62 -3.201 -1.412 -5.801 413 HB THR 62 HB THR 62 -3.520 -3.444 -8.020 414 HG1 THR 62 1HG THR 62 -2.907 -1.619 -9.326 415 HG21 THR 62 3HG2 THR 62 -4.943 -0.924 -8.285 416 HG22 THR 62 1HG2 THR 62 -5.465 -1.839 -6.871 417 HG23 THR 62 2HG2 THR 62 -5.532 -2.576 -8.472 418 H VAL 63 H VAL 63 -5.006 -1.615 -4.624 419 HA VAL 63 HA VAL 63 -5.880 -4.340 -3.916 420 HB VAL 63 HB VAL 63 -6.303 -1.846 -2.270 421 HG11 VAL 63 1HG1 VAL 63 -6.432 -3.946 -0.568 422 HG12 VAL 63 2HG1 VAL 63 -7.834 -3.221 -1.357 423 HG13 VAL 63 3HG1 VAL 63 -7.090 -4.670 -2.035 424 HG21 VAL 63 3HG2 VAL 63 -3.864 -2.786 -2.682 425 HG22 VAL 63 1HG2 VAL 63 -4.383 -2.225 -1.092 426 HG23 VAL 63 2HG2 VAL 63 -4.366 -3.951 -1.456 427 H THR 64 H THR 64 -7.840 -4.928 -4.559 428 HA THR 64 HA THR 64 -9.790 -2.821 -5.231 429 HB THR 64 HB THR 64 -10.669 -4.184 -7.000 430 HG1 THR 64 1HG THR 64 -10.376 -6.275 -6.991 431 HG21 THR 64 3HG2 THR 64 -8.926 -4.038 -8.551 432 HG22 THR 64 1HG2 THR 64 -7.698 -4.441 -7.351 433 HG23 THR 64 2HG2 THR 64 -8.479 -2.860 -7.318 434 H GLY 65 H GLY 65 -12.079 -3.533 -5.109 435 HA2 GLY 65 1HA GLY 65 -13.843 -4.641 -4.098 436 HA3 GLY 65 2HA GLY 65 -12.706 -5.845 -3.512 437 H LEU 66 H LEU 66 -12.433 -2.385 -2.951 438 HA LEU 66 HA LEU 66 -12.396 -2.871 -0.091 439 HB2 LEU 66 1HB LEU 66 -11.887 -0.428 -1.771 440 HB3 LEU 66 2HB LEU 66 -11.884 -0.400 -0.009 441 HG LEU 66 HG LEU 66 -10.089 -2.320 -1.416 442 HD11 LEU 66 1HD1 LEU 66 -8.360 -0.401 -1.272 443 HD12 LEU 66 2HD1 LEU 66 -9.772 0.653 -1.335 444 HD13 LEU 66 3HD1 LEU 66 -9.452 -0.472 -2.655 445 HD21 LEU 66 3HD2 LEU 66 -8.667 -1.833 0.528 446 HD22 LEU 66 1HD2 LEU 66 -10.266 -2.404 1.003 447 HD23 LEU 66 2HD2 LEU 66 -9.874 -0.688 1.113 448 H GLN 67 H GLN 67 -13.514 -1.112 1.286 449 HA GLN 67 HA GLN 67 -15.935 0.020 0.289 450 HB2 GLN 67 1HB GLN 67 -17.505 -1.329 1.596 451 HB3 GLN 67 2HB GLN 67 -16.660 -2.312 0.408 452 HG2 GLN 67 1HG GLN 67 -15.176 -3.156 2.141 453 HG3 GLN 67 2HG GLN 67 -15.990 -2.150 3.338 454 HE21 GLN 67 1HE2 GLN 67 -17.028 -4.351 0.750 455 HE22 GLN 67 2HE2 GLN 67 -18.102 -5.278 1.737 456 H VAL 68 H VAL 68 -17.179 1.111 1.998 457 HA VAL 68 HA VAL 68 -15.795 2.795 3.565 458 HB VAL 68 HB VAL 68 -18.430 1.545 4.358 459 HG11 VAL 68 1HG1 VAL 68 -18.693 3.131 5.963 460 HG12 VAL 68 2HG1 VAL 68 -16.932 3.016 5.999 461 HG13 VAL 68 3HG1 VAL 68 -17.714 4.321 5.106 462 HG21 VAL 68 3HG2 VAL 68 -18.307 4.223 3.122 463 HG22 VAL 68 1HG2 VAL 68 -17.956 2.858 2.062 464 HG23 VAL 68 2HG2 VAL 68 -19.494 2.934 2.923 465 H GLY 69 H GLY 69 -14.043 2.115 4.704 466 HA2 GLY 69 1HA GLY 69 -14.401 1.080 7.293 467 HA3 GLY 69 2HA GLY 69 -13.876 -0.226 6.242 468 H THR 70 H THR 70 -12.008 -0.281 7.688 469 HA THR 70 HA THR 70 -10.006 1.747 6.931 470 HB THR 70 HB THR 70 -9.845 0.223 9.515 471 HG1 THR 70 1HG THR 70 -11.237 2.661 9.022 472 HG21 THR 70 3HG2 THR 70 -8.382 2.366 8.191 473 HG22 THR 70 1HG2 THR 70 -7.895 1.326 9.529 474 HG23 THR 70 2HG2 THR 70 -8.847 2.777 9.842 475 H TYR 71 H TYR 71 -8.442 0.930 5.717 476 HA TYR 71 HA TYR 71 -7.735 -1.911 6.053 477 HB2 TYR 71 1HB TYR 71 -7.590 -0.202 3.562 478 HB3 TYR 71 2HB TYR 71 -7.020 -1.863 3.679 479 HD1 TYR 71 1HD TYR 71 -9.982 0.301 3.568 480 HD2 TYR 71 2HD TYR 71 -8.577 -3.712 3.728 481 HE1 TYR 71 1HE TYR 71 -12.229 -0.503 2.975 482 HE2 TYR 71 2HE TYR 71 -10.820 -4.527 3.134 483 HH TYR 71 HH TYR 71 -12.840 -3.742 2.062 484 H VAL 72 H VAL 72 -5.771 -2.288 6.817 485 HA VAL 72 HA VAL 72 -3.741 -0.166 6.594 486 HB VAL 72 HB VAL 72 -3.868 -2.401 8.622 487 HG11 VAL 72 1HG1 VAL 72 -1.626 -1.260 7.869 488 HG12 VAL 72 2HG1 VAL 72 -2.190 0.043 8.917 489 HG13 VAL 72 3HG1 VAL 72 -1.950 -1.576 9.573 490 HG21 VAL 72 3HG2 VAL 72 -4.188 -0.180 10.082 491 HG22 VAL 72 1HG2 VAL 72 -4.975 0.340 8.591 492 HG23 VAL 72 2HG2 VAL 72 -5.542 -1.103 9.430 493 H PHE 73 H PHE 73 -2.210 -0.551 5.148 494 HA PHE 73 HA PHE 73 -1.453 -3.346 4.605 495 HB2 PHE 73 1HB PHE 73 -1.195 -0.957 2.766 496 HB3 PHE 73 2HB PHE 73 -0.787 -2.623 2.369 497 HD1 PHE 73 1HD PHE 73 -2.553 -4.296 2.068 498 HD2 PHE 73 2HD PHE 73 -3.454 -0.193 2.754 499 HE1 PHE 73 1HE PHE 73 -4.852 -4.672 1.276 500 HE2 PHE 73 2HE PHE 73 -5.755 -0.563 1.964 501 HZ PHE 73 HZ PHE 73 -6.456 -2.804 1.224 502 H THR 74 H THR 74 0.477 -3.917 5.328 503 HA THR 74 HA THR 74 2.437 -1.846 5.981 504 HB THR 74 HB THR 74 2.190 -4.741 6.778 505 HG1 THR 74 1HG THR 74 2.259 -3.668 8.889 506 HG21 THR 74 3HG2 THR 74 4.303 -3.782 8.224 507 HG22 THR 74 1HG2 THR 74 4.593 -3.071 6.637 508 HG23 THR 74 2HG2 THR 74 4.437 -4.819 6.805 509 H LEU 75 H LEU 75 3.813 -1.344 4.406 510 HA LEU 75 HA LEU 75 4.490 -3.226 2.327 511 HB2 LEU 75 1HB LEU 75 4.317 -1.105 1.467 512 HB3 LEU 75 2HB LEU 75 5.048 -0.356 2.885 513 HG LEU 75 HG LEU 75 7.254 -1.154 2.151 514 HD11 LEU 75 1HD1 LEU 75 7.518 -2.081 -0.099 515 HD12 LEU 75 2HD1 LEU 75 5.765 -2.135 -0.281 516 HD13 LEU 75 3HD1 LEU 75 6.557 -3.139 0.934 517 HD21 LEU 75 3HD2 LEU 75 6.264 0.200 -0.272 518 HD22 LEU 75 1HD2 LEU 75 7.572 0.642 0.825 519 HD23 LEU 75 2HD2 LEU 75 5.900 0.997 1.259 520 H THR 76 H THR 76 5.833 -4.826 2.898 521 HA THR 76 HA THR 76 8.073 -4.298 4.685 522 HB THR 76 HB THR 76 7.572 -6.965 3.413 523 HG1 THR 76 1HG THR 76 6.152 -5.887 5.640 524 HG21 THR 76 3HG2 THR 76 8.985 -5.879 5.766 525 HG22 THR 76 1HG2 THR 76 9.372 -7.270 4.754 526 HG23 THR 76 2HG2 THR 76 8.145 -7.409 6.013 527 H VAL 77 H VAL 77 9.989 -3.723 3.920 528 HA VAL 77 HA VAL 77 10.796 -4.690 1.255 529 HB VAL 77 HB VAL 77 12.136 -2.541 1.080 530 HG11 VAL 77 1HG1 VAL 77 9.296 -2.995 0.673 531 HG12 VAL 77 2HG1 VAL 77 9.691 -1.283 0.840 532 HG13 VAL 77 3HG1 VAL 77 10.488 -2.257 -0.396 533 HG21 VAL 77 3HG2 VAL 77 11.438 -0.646 2.398 534 HG22 VAL 77 1HG2 VAL 77 10.230 -1.625 3.230 535 HG23 VAL 77 2HG2 VAL 77 11.947 -1.943 3.479 536 H LYS 78 H LYS 78 13.130 -4.809 0.925 537 HA LYS 78 HA LYS 78 14.762 -4.894 3.342 538 HB2 LYS 78 1HB LYS 78 13.929 -7.257 1.749 539 HB3 LYS 78 2HB LYS 78 15.611 -7.200 2.258 540 HG2 LYS 78 1HG LYS 78 15.041 -7.215 4.531 541 HG3 LYS 78 2HG LYS 78 13.357 -6.803 4.197 542 HD2 LYS 78 1HD LYS 78 14.437 -9.316 3.031 543 HD3 LYS 78 2HD LYS 78 14.110 -9.282 4.766 544 HE2 LYS 78 1HE LYS 78 12.038 -8.268 2.876 545 HE3 LYS 78 2HE LYS 78 12.256 -10.009 3.051 546 HZ1 LYS 78 3HZ LYS 78 11.824 -8.193 5.354 547 HZ2 LYS 78 1HZ LYS 78 11.758 -9.884 5.344 548 HZ3 LYS 78 2HZ LYS 78 10.562 -8.985 4.554 549 H ASP 79 H ASP 79 16.788 -4.214 2.986 550 HA ASP 79 HA ASP 79 17.525 -3.471 0.278 551 HB2 ASP 79 1HB ASP 79 18.490 -2.792 3.015 552 HB3 ASP 79 2HB ASP 79 19.630 -2.637 1.681 553 H GLU 80 H GLU 80 20.127 -3.672 0.027 554 HA GLU 80 HA GLU 80 20.602 -6.359 -0.583 555 HB2 GLU 80 1HB GLU 80 21.748 -4.345 -1.584 556 HB3 GLU 80 2HB GLU 80 22.727 -4.264 -0.127 557 HG2 GLU 80 1HG GLU 80 23.897 -5.382 -1.950 558 HG3 GLU 80 2HG GLU 80 23.639 -6.459 -0.579 559 H ARG 81 H ARG 81 21.083 -4.572 2.339 560 HA ARG 81 HA ARG 81 22.822 -6.597 3.496 561 HB2 ARG 81 1HB ARG 81 21.892 -3.882 4.288 562 HB3 ARG 81 2HB ARG 81 22.342 -4.995 5.573 563 HG2 ARG 81 1HG ARG 81 24.216 -4.657 3.294 564 HG3 ARG 81 2HG ARG 81 24.089 -3.356 4.480 565 HD2 ARG 81 1HD ARG 81 24.392 -6.149 5.460 566 HD3 ARG 81 2HD ARG 81 25.804 -5.341 4.781 567 HE ARG 81 HE ARG 81 24.515 -3.685 6.686 568 HH11 ARG 81 2HH1 ARG 81 26.562 -6.486 6.408 569 HH12 ARG 81 1HH1 ARG 81 27.309 -6.255 7.955 570 HH21 ARG 81 2HH2 ARG 81 25.490 -3.369 8.723 571 HH22 ARG 81 1HH2 ARG 81 26.698 -4.482 9.271 572 H ASN 82 H ASN 82 20.062 -7.249 2.708 573 HA ASN 82 HA ASN 82 18.167 -8.246 3.511 574 HB2 ASN 82 1HB ASN 82 20.074 -9.856 4.044 575 HB3 ASN 82 2HB ASN 82 19.971 -9.270 5.702 576 HD21 ASN 82 1HD2 ASN 82 19.370 -11.276 6.488 577 HD22 ASN 82 2HD2 ASN 82 17.799 -11.943 6.217 578 H LEU 83 H LEU 83 18.838 -5.565 4.613 579 HA LEU 83 HA LEU 83 18.136 -5.474 7.354 580 HB2 LEU 83 1HB LEU 83 17.871 -3.329 5.252 581 HB3 LEU 83 2HB LEU 83 17.822 -3.080 6.996 582 HG LEU 83 HG LEU 83 20.241 -4.223 5.630 583 HD11 LEU 83 1HD1 LEU 83 19.203 -1.530 5.443 584 HD12 LEU 83 2HD1 LEU 83 20.570 -2.274 4.614 585 HD13 LEU 83 3HD1 LEU 83 20.788 -1.569 6.216 586 HD21 LEU 83 3HD2 LEU 83 21.199 -4.123 7.645 587 HD22 LEU 83 1HD2 LEU 83 19.561 -3.960 8.278 588 HD23 LEU 83 2HD2 LEU 83 20.537 -2.522 7.979 589 H GLN 84 H GLN 84 16.230 -5.826 8.263 590 HA GLN 84 HA GLN 84 13.841 -5.960 6.623 591 HB2 GLN 84 1HB GLN 84 14.508 -7.630 8.462 592 HB3 GLN 84 2HB GLN 84 13.963 -6.402 9.597 593 HG2 GLN 84 1HG GLN 84 11.807 -6.473 8.061 594 HG3 GLN 84 2HG GLN 84 12.403 -8.100 7.738 595 HE21 GLN 84 1HE2 GLN 84 9.980 -7.536 9.023 596 HE22 GLN 84 2HE2 GLN 84 10.079 -8.112 10.649 597 H SER 85 H SER 85 12.562 -4.272 6.325 598 HA SER 85 HA SER 85 11.851 -2.526 8.503 599 HB2 SER 85 1HB SER 85 12.520 -0.446 7.238 600 HB3 SER 85 2HB SER 85 13.868 -1.389 7.874 601 HG SER 85 HG SER 85 14.466 -1.068 5.832 602 H GLN 86 H GLN 86 9.748 -2.182 8.303 603 HA GLN 86 HA GLN 86 8.603 -1.949 5.602 604 HB2 GLN 86 1HB GLN 86 6.699 -3.242 6.229 605 HB3 GLN 86 2HB GLN 86 8.124 -4.166 6.686 606 HG2 GLN 86 1HG GLN 86 7.729 -2.923 8.991 607 HG3 GLN 86 2HG GLN 86 6.075 -2.866 8.384 608 HE21 GLN 86 1HE2 GLN 86 8.477 -4.760 9.844 609 HE22 GLN 86 2HE2 GLN 86 7.618 -6.258 9.875 610 H SER 87 H SER 87 6.377 -0.930 5.666 611 HA SER 87 HA SER 87 6.050 0.973 7.864 612 HB2 SER 87 1HB SER 87 6.107 2.887 6.537 613 HB3 SER 87 2HB SER 87 7.400 1.916 5.833 614 HG SER 87 HG SER 87 6.040 2.740 4.215 615 H SER 88 H SER 88 3.976 1.309 8.404 616 HA SER 88 HA SER 88 1.932 -0.007 6.768 617 HB2 SER 88 1HB SER 88 0.519 0.368 8.883 618 HB3 SER 88 2HB SER 88 1.835 -0.800 8.991 619 HG SER 88 HG SER 88 2.192 0.418 10.723 620 H VAL 89 H VAL 89 0.087 1.038 6.069 621 HA VAL 89 HA VAL 89 -0.004 3.956 6.455 622 HB VAL 89 HB VAL 89 0.913 3.496 4.230 623 HG11 VAL 89 1HG1 VAL 89 0.193 1.830 2.951 624 HG12 VAL 89 2HG1 VAL 89 -0.932 1.382 4.235 625 HG13 VAL 89 3HG1 VAL 89 -1.446 2.479 2.953 626 HG21 VAL 89 3HG2 VAL 89 -0.621 4.859 2.947 627 HG22 VAL 89 1HG2 VAL 89 -1.926 4.503 4.078 628 HG23 VAL 89 2HG2 VAL 89 -0.540 5.458 4.604 629 H ASN 90 H ASN 90 -2.029 4.880 6.587 630 HA ASN 90 HA ASN 90 -4.205 3.012 7.117 631 HB2 ASN 90 1HB ASN 90 -3.672 5.879 7.805 632 HB3 ASN 90 2HB ASN 90 -5.326 5.274 7.839 633 HD21 ASN 90 1HD2 ASN 90 -4.730 6.074 10.144 634 HD22 ASN 90 2HD2 ASN 90 -4.213 4.833 11.229 635 H VAL 91 H VAL 91 -5.697 2.588 5.641 636 HA VAL 91 HA VAL 91 -6.133 4.539 3.476 637 HB VAL 91 HB VAL 91 -6.666 1.567 3.394 638 HG11 VAL 91 1HG1 VAL 91 -6.688 3.649 1.211 639 HG12 VAL 91 2HG1 VAL 91 -6.957 1.919 0.995 640 HG13 VAL 91 3HG1 VAL 91 -8.108 2.882 1.922 641 HG21 VAL 91 3HG2 VAL 91 -4.282 3.195 2.672 642 HG22 VAL 91 1HG2 VAL 91 -4.379 1.573 3.360 643 HG23 VAL 91 2HG2 VAL 91 -4.705 1.825 1.645 644 H ILE 92 H ILE 92 -7.866 5.717 4.044 645 HA ILE 92 HA ILE 92 -10.182 4.382 5.238 646 HB ILE 92 HB ILE 92 -9.600 7.323 4.873 647 HG12 ILE 92 1HG1 ILE 92 -9.851 5.974 7.526 648 HG13 ILE 92 2HG1 ILE 92 -8.356 5.766 6.621 649 HG21 ILE 92 1HG2 ILE 92 -11.905 5.929 6.225 650 HG22 ILE 92 2HG2 ILE 92 -11.558 7.652 6.357 651 HG23 ILE 92 3HG2 ILE 92 -11.977 6.955 4.792 652 HD11 ILE 92 3HD1 ILE 92 -9.337 8.530 6.878 653 HD12 ILE 92 1HD1 ILE 92 -8.777 7.754 8.360 654 HD13 ILE 92 2HD1 ILE 92 -7.697 7.887 6.971 655 H VAL 93 H VAL 93 -12.117 4.191 4.238 656 HA VAL 93 HA VAL 93 -12.320 5.258 1.496 657 HB VAL 93 HB VAL 93 -13.445 2.678 2.592 658 HG11 VAL 93 1HG1 VAL 93 -14.073 4.250 0.167 659 HG12 VAL 93 2HG1 VAL 93 -13.902 2.505 -0.038 660 HG13 VAL 93 3HG1 VAL 93 -15.085 3.149 1.101 661 HG21 VAL 93 3HG2 VAL 93 -12.011 1.774 0.657 662 HG22 VAL 93 1HG2 VAL 93 -11.201 3.340 0.717 663 HG23 VAL 93 2HG2 VAL 93 -11.191 2.287 2.131 664 H LYS 94 H LYS 94 -13.715 6.887 1.445 665 HA LYS 94 HA LYS 94 -15.990 6.901 3.289 666 HB2 LYS 94 1HB LYS 94 -14.537 9.000 1.733 667 HB3 LYS 94 2HB LYS 94 -16.211 9.290 2.190 668 HG2 LYS 94 1HG LYS 94 -15.726 9.458 4.408 669 HG3 LYS 94 2HG LYS 94 -14.337 8.374 4.301 670 HD2 LYS 94 1HD LYS 94 -13.134 10.175 3.047 671 HD3 LYS 94 2HD LYS 94 -14.490 11.248 3.400 672 HE2 LYS 94 1HE LYS 94 -13.081 9.786 5.602 673 HE3 LYS 94 2HE LYS 94 -12.414 11.281 4.948 674 HZ1 LYS 94 3HZ LYS 94 -14.847 10.861 6.517 675 HZ2 LYS 94 1HZ LYS 94 -14.860 12.097 5.361 676 HZ3 LYS 94 2HZ LYS 94 -13.710 12.111 6.601 677 H GLU 95 H GLU 95 -18.065 7.823 2.375 678 HA GLU 95 HA GLU 95 -18.774 6.274 0.033 679 HB2 GLU 95 1HB GLU 95 -20.470 8.021 1.825 680 HB3 GLU 95 2HB GLU 95 -21.082 6.975 0.552 681 HG2 GLU 95 1HG GLU 95 -20.563 5.036 1.722 682 HG3 GLU 95 2HG GLU 95 -19.433 5.869 2.788 683 H GLU 96 H GLU 96 -20.224 7.294 -1.632 684 HA GLU 96 HA GLU 96 -18.888 9.282 -3.027 685 HB2 GLU 96 1HB GLU 96 -20.594 7.692 -3.954 686 HB3 GLU 96 2HB GLU 96 -21.844 8.694 -3.230 687 HG2 GLU 96 1HG GLU 96 -20.765 10.612 -4.577 688 HG3 GLU 96 2HG GLU 96 -20.014 9.317 -5.508 689 H SER 97 H SER 97 -19.331 11.480 -3.424 690 HA SER 97 HA SER 97 -21.024 12.815 -1.421 691 HB2 SER 97 1HB SER 97 -18.219 13.604 -2.240 692 HB3 SER 97 2HB SER 97 -19.294 14.617 -1.276 693 HG SER 97 HG SER 97 -18.155 12.118 -0.603 694 H GLY 98 H GLY 98 -21.364 15.190 -2.041 695 HA2 GLY 98 1HA GLY 98 -21.649 16.835 -3.725 696 HA3 GLY 98 2HA GLY 98 -21.385 15.596 -4.943 697 HA PRO 99 HA PRO 99 -25.920 16.489 -4.807 698 HB2 PRO 99 1HB PRO 99 -26.222 16.534 -7.504 699 HB3 PRO 99 2HB PRO 99 -25.740 17.954 -6.568 700 HG2 PRO 99 1HG PRO 99 -24.042 16.056 -8.142 701 HG3 PRO 99 2HG PRO 99 -23.958 17.826 -8.057 702 HD2 PRO 99 1HD PRO 99 -22.278 16.219 -6.668 703 HD3 PRO 99 2HD PRO 99 -22.808 17.801 -6.060 704 H SER 100 H SER 100 -27.638 15.096 -5.307 705 HA SER 100 HA SER 100 -26.803 12.380 -6.072 706 HB2 SER 100 1HB SER 100 -29.185 13.287 -4.439 707 HB3 SER 100 2HB SER 100 -28.819 11.612 -4.853 708 HG SER 100 HG SER 100 -26.661 12.244 -3.808 709 H SER 101 H SER 101 -28.215 11.114 -7.395 710 HA SER 101 HA SER 101 -29.917 12.755 -9.156 711 HB2 SER 101 1HB SER 101 -28.084 10.444 -9.765 712 HB3 SER 101 2HB SER 101 -29.392 10.887 -10.861 713 HG SER 101 HG SER 101 -27.610 12.007 -11.523 714 H GLY 102 H GLY 102 -31.987 12.384 -8.695 715 HA2 GLY 102 1HA GLY 102 -32.842 9.576 -8.391 716 HA3 GLY 102 2HA GLY 102 -33.441 10.825 -7.310 Start of MODEL 6 1 H1 GLY 1 H GLY 1 28.772 7.181 12.589 2 HA2 GLY 1 1HA GLY 1 29.465 7.674 10.385 3 HA3 GLY 1 2HA GLY 1 30.134 6.053 10.258 4 H SER 2 H SER 2 27.883 7.942 8.968 5 HA SER 2 HA SER 2 25.985 5.723 8.561 6 HB2 SER 2 1HB SER 2 24.282 7.500 8.073 7 HB3 SER 2 2HB SER 2 24.862 7.504 9.738 8 HG SER 2 HG SER 2 25.174 9.550 9.297 9 H SER 3 H SER 3 27.117 8.724 6.998 10 HA SER 3 HA SER 3 27.577 9.232 4.829 11 HB2 SER 3 1HB SER 3 28.034 6.251 4.557 12 HB3 SER 3 2HB SER 3 28.609 7.496 3.449 13 HG SER 3 HG SER 3 30.233 7.818 4.730 14 H GLY 4 H GLY 4 24.866 8.854 5.512 15 HA2 GLY 4 1HA GLY 4 23.608 8.917 3.058 16 HA3 GLY 4 2HA GLY 4 23.524 7.241 3.579 17 H SER 5 H SER 5 21.507 9.508 3.244 18 HA SER 5 HA SER 5 20.489 10.330 5.688 19 HB2 SER 5 1HB SER 5 19.052 9.696 3.104 20 HB3 SER 5 2HB SER 5 18.281 10.479 4.483 21 HG SER 5 HG SER 5 20.631 11.483 3.263 22 H SER 6 H SER 6 19.803 9.204 7.371 23 HA SER 6 HA SER 6 19.252 6.404 7.207 24 HB2 SER 6 1HB SER 6 18.780 8.298 9.521 25 HB3 SER 6 2HB SER 6 18.849 6.538 9.608 26 HG SER 6 HG SER 6 21.065 7.066 8.520 27 H GLY 7 H GLY 7 17.390 5.465 6.709 28 HA2 GLY 7 1HA GLY 7 14.871 6.448 7.645 29 HA3 GLY 7 2HA GLY 7 15.085 6.740 5.926 30 H GLN 8 H GLN 8 13.030 5.153 6.846 31 HA GLN 8 HA GLN 8 13.878 2.498 5.900 32 HB2 GLN 8 1HB GLN 8 12.155 1.514 7.402 33 HB3 GLN 8 2HB GLN 8 13.471 2.298 8.264 34 HG2 GLN 8 1HG GLN 8 11.895 4.350 8.304 35 HG3 GLN 8 2HG GLN 8 10.634 3.170 7.952 36 HE21 GLN 8 1HE2 GLN 8 11.768 4.860 10.365 37 HE22 GLN 8 2HE2 GLN 8 11.607 3.750 11.679 38 H ALA 9 H ALA 9 11.672 1.194 5.451 39 HA ALA 9 HA ALA 9 10.636 1.983 3.091 40 HB1 ALA 9 3HB ALA 9 8.913 0.651 5.166 41 HB2 ALA 9 1HB ALA 9 8.833 0.480 3.412 42 HB3 ALA 9 2HB ALA 9 10.204 -0.183 4.302 43 H ASP 10 H ASP 10 9.032 3.283 2.309 44 HA ASP 10 HA ASP 10 7.634 4.989 4.263 45 HB2 ASP 10 1HB ASP 10 9.149 5.710 1.797 46 HB3 ASP 10 2HB ASP 10 7.713 6.650 2.190 47 H ALA 11 H ALA 11 6.083 3.105 3.919 48 HA ALA 11 HA ALA 11 4.721 2.386 1.724 49 HB1 ALA 11 3HB ALA 11 4.244 1.750 4.129 50 HB2 ALA 11 1HB ALA 11 3.225 3.188 4.205 51 HB3 ALA 11 2HB ALA 11 2.845 1.896 3.065 52 H GLY 12 H GLY 12 4.465 5.507 3.327 53 HA2 GLY 12 1HA GLY 12 4.011 7.402 1.806 54 HA3 GLY 12 2HA GLY 12 2.742 6.411 1.102 55 HA PRO 13 HA PRO 13 1.106 9.203 4.547 56 HB2 PRO 13 1HB PRO 13 -0.439 10.795 2.983 57 HB3 PRO 13 2HB PRO 13 1.248 11.163 3.358 58 HG2 PRO 13 1HG PRO 13 0.083 9.910 0.902 59 HG3 PRO 13 2HG PRO 13 1.342 11.152 1.034 60 HD2 PRO 13 1HD PRO 13 1.911 8.544 0.583 61 HD3 PRO 13 2HD PRO 13 2.989 9.611 1.505 62 H ASP 14 H ASP 14 -1.346 9.726 4.830 63 HA ASP 14 HA ASP 14 -2.751 7.291 4.797 64 HB2 ASP 14 1HB ASP 14 -4.540 8.460 5.792 65 HB3 ASP 14 2HB ASP 14 -3.097 9.314 6.332 66 H LYS 15 H LYS 15 -4.530 6.597 3.594 67 HA LYS 15 HA LYS 15 -4.810 7.907 0.969 68 HB2 LYS 15 1HB LYS 15 -5.030 5.006 1.766 69 HB3 LYS 15 2HB LYS 15 -5.595 5.609 0.214 70 HG2 LYS 15 1HG LYS 15 -2.790 6.136 1.093 71 HG3 LYS 15 2HG LYS 15 -3.231 4.572 0.406 72 HD2 LYS 15 1HD LYS 15 -3.812 5.512 -1.656 73 HD3 LYS 15 2HD LYS 15 -3.937 7.138 -0.981 74 HE2 LYS 15 1HE LYS 15 -1.453 6.997 -0.527 75 HE3 LYS 15 2HE LYS 15 -1.445 5.535 -1.512 76 HZ1 LYS 15 3HZ LYS 15 -0.868 7.648 -2.699 77 HZ2 LYS 15 1HZ LYS 15 -2.478 8.131 -2.499 78 HZ3 LYS 15 2HZ LYS 15 -2.115 6.748 -3.403 79 H GLU 16 H GLU 16 -6.712 8.795 0.530 80 HA GLU 16 HA GLU 16 -9.092 7.796 1.950 81 HB2 GLU 16 1HB GLU 16 -8.066 10.162 2.543 82 HB3 GLU 16 2HB GLU 16 -8.932 10.652 1.094 83 HG2 GLU 16 1HG GLU 16 -10.999 9.675 2.098 84 HG3 GLU 16 2HG GLU 16 -10.087 9.432 3.586 85 H LEU 17 H LEU 17 -10.167 6.681 0.437 86 HA LEU 17 HA LEU 17 -10.434 7.840 -2.249 87 HB2 LEU 17 1HB LEU 17 -11.130 5.045 -1.376 88 HB3 LEU 17 2HB LEU 17 -11.000 5.651 -3.026 89 HG LEU 17 HG LEU 17 -8.638 5.541 -1.168 90 HD11 LEU 17 1HD1 LEU 17 -8.209 3.374 -1.646 91 HD12 LEU 17 2HD1 LEU 17 -8.976 3.454 -3.232 92 HD13 LEU 17 3HD1 LEU 17 -9.966 3.302 -1.781 93 HD21 LEU 17 3HD2 LEU 17 -9.041 6.670 -3.680 94 HD22 LEU 17 1HD2 LEU 17 -8.182 5.161 -3.994 95 HD23 LEU 17 2HD2 LEU 17 -7.494 6.355 -2.893 96 H THR 18 H THR 18 -12.530 7.685 -3.310 97 HA THR 18 HA THR 18 -14.800 7.654 -1.438 98 HB THR 18 HB THR 18 -14.580 9.638 -3.700 99 HG1 THR 18 1HG THR 18 -14.234 11.108 -1.780 100 HG21 THR 18 3HG2 THR 18 -16.458 9.219 -1.396 101 HG22 THR 18 1HG2 THR 18 -16.831 9.406 -3.109 102 HG23 THR 18 2HG2 THR 18 -16.297 10.797 -2.166 103 H LEU 19 H LEU 19 -16.206 6.153 -2.039 104 HA LEU 19 HA LEU 19 -16.174 4.596 -4.270 105 HB2 LEU 19 1HB LEU 19 -18.372 5.443 -2.442 106 HB3 LEU 19 2HB LEU 19 -18.765 4.489 -3.871 107 HG LEU 19 HG LEU 19 -16.789 3.609 -1.773 108 HD11 LEU 19 1HD1 LEU 19 -19.235 3.955 -1.025 109 HD12 LEU 19 2HD1 LEU 19 -18.447 2.417 -0.676 110 HD13 LEU 19 3HD1 LEU 19 -19.574 2.543 -2.026 111 HD21 LEU 19 3HD2 LEU 19 -16.826 1.524 -2.826 112 HD22 LEU 19 1HD2 LEU 19 -16.748 2.677 -4.158 113 HD23 LEU 19 2HD2 LEU 19 -18.282 1.910 -3.745 114 HA PRO 20 HA PRO 20 -18.034 3.512 -5.438 115 HB2 PRO 20 1HB PRO 20 -17.696 2.814 -8.039 116 HB3 PRO 20 2HB PRO 20 -19.243 3.365 -7.386 117 HG2 PRO 20 1HG PRO 20 -17.186 4.896 -8.931 118 HG3 PRO 20 2HG PRO 20 -18.951 4.912 -9.098 119 HD2 PRO 20 1HD PRO 20 -17.594 6.848 -7.778 120 HD3 PRO 20 2HD PRO 20 -19.232 6.344 -7.313 121 H VAL 21 H VAL 21 -15.471 5.479 -6.324 122 HA VAL 21 HA VAL 21 -13.497 3.834 -7.300 123 HB VAL 21 HB VAL 21 -13.160 6.002 -5.222 124 HG11 VAL 21 1HG1 VAL 21 -10.865 6.123 -6.455 125 HG12 VAL 21 2HG1 VAL 21 -11.120 4.926 -5.184 126 HG13 VAL 21 3HG1 VAL 21 -11.221 4.449 -6.879 127 HG21 VAL 21 3HG2 VAL 21 -13.152 6.076 -8.235 128 HG22 VAL 21 1HG2 VAL 21 -14.264 6.899 -7.141 129 HG23 VAL 21 2HG2 VAL 21 -12.573 7.395 -7.217 130 H ASP 22 H ASP 22 -13.557 1.749 -6.505 131 HA ASP 22 HA ASP 22 -12.851 1.424 -3.662 132 HB2 ASP 22 1HB ASP 22 -13.795 -0.859 -3.848 133 HB3 ASP 22 2HB ASP 22 -14.990 0.392 -4.180 134 H SER 23 H SER 23 -10.854 2.058 -5.474 135 HA SER 23 HA SER 23 -9.087 -0.168 -5.122 136 HB2 SER 23 1HB SER 23 -8.524 -0.481 -7.499 137 HB3 SER 23 2HB SER 23 -10.211 -0.886 -7.184 138 HG SER 23 HG SER 23 -10.745 0.586 -8.568 139 H THR 24 H THR 24 -7.012 0.497 -4.981 140 HA THR 24 HA THR 24 -6.264 3.101 -6.085 141 HB THR 24 HB THR 24 -7.007 3.459 -3.721 142 HG1 THR 24 1HG THR 24 -5.611 5.010 -4.169 143 HG21 THR 24 3HG2 THR 24 -6.419 1.906 -2.224 144 HG22 THR 24 1HG2 THR 24 -4.804 2.612 -2.264 145 HG23 THR 24 2HG2 THR 24 -5.191 1.234 -3.295 146 H THR 25 H THR 25 -3.830 3.485 -5.646 147 HA THR 25 HA THR 25 -2.396 0.929 -5.974 148 HB THR 25 HB THR 25 -0.780 2.222 -7.424 149 HG1 THR 25 1HG THR 25 -1.976 4.118 -8.422 150 HG21 THR 25 3HG2 THR 25 -1.902 1.604 -9.308 151 HG22 THR 25 1HG2 THR 25 -3.409 2.359 -8.792 152 HG23 THR 25 2HG2 THR 25 -2.929 0.800 -8.121 153 H LEU 26 H LEU 26 -1.080 0.575 -4.319 154 HA LEU 26 HA LEU 26 -0.114 2.796 -2.709 155 HB2 LEU 26 1HB LEU 26 0.271 -0.171 -2.339 156 HB3 LEU 26 2HB LEU 26 0.668 1.085 -1.169 157 HG LEU 26 HG LEU 26 -2.153 0.792 -2.107 158 HD11 LEU 26 1HD1 LEU 26 -2.616 -0.847 -0.414 159 HD12 LEU 26 2HD1 LEU 26 -0.930 -0.851 0.103 160 HD13 LEU 26 3HD1 LEU 26 -1.365 -1.475 -1.488 161 HD21 LEU 26 3HD2 LEU 26 -1.109 1.452 0.629 162 HD22 LEU 26 1HD2 LEU 26 -2.686 1.819 -0.071 163 HD23 LEU 26 2HD2 LEU 26 -1.250 2.674 -0.635 164 H ASP 27 H ASP 27 1.391 3.742 -4.120 165 HA ASP 27 HA ASP 27 3.587 2.178 -5.156 166 HB2 ASP 27 1HB ASP 27 3.077 3.888 -6.626 167 HB3 ASP 27 2HB ASP 27 2.730 5.036 -5.336 168 H GLY 28 H GLY 28 5.508 1.859 -4.224 169 HA2 GLY 28 1HA GLY 28 6.166 3.496 -1.851 170 HA3 GLY 28 2HA GLY 28 6.477 1.768 -1.930 171 H SER 29 H SER 29 7.049 2.991 -4.941 172 HA SER 29 HA SER 29 9.654 2.395 -5.195 173 HB2 SER 29 1HB SER 29 9.808 3.981 -7.026 174 HB3 SER 29 2HB SER 29 8.200 3.258 -7.026 175 HG SER 29 HG SER 29 7.884 5.420 -7.250 176 H LYS 30 H LYS 30 8.375 5.273 -3.654 177 HA LYS 30 HA LYS 30 11.020 6.406 -3.263 178 HB2 LYS 30 1HB LYS 30 8.304 7.333 -2.308 179 HB3 LYS 30 2HB LYS 30 9.805 8.228 -2.107 180 HG2 LYS 30 1HG LYS 30 10.033 8.343 -4.557 181 HG3 LYS 30 2HG LYS 30 8.482 7.516 -4.717 182 HD2 LYS 30 1HD LYS 30 7.346 9.335 -3.617 183 HD3 LYS 30 2HD LYS 30 8.881 10.135 -3.274 184 HE2 LYS 30 1HE LYS 30 8.212 11.288 -5.139 185 HE3 LYS 30 2HE LYS 30 9.166 10.005 -5.880 186 HZ1 LYS 30 3HZ LYS 30 7.387 9.373 -7.006 187 HZ2 LYS 30 1HZ LYS 30 6.476 10.617 -6.309 188 HZ3 LYS 30 2HZ LYS 30 6.533 9.096 -5.572 189 H SER 31 H SER 31 11.258 4.094 -2.111 190 HA SER 31 HA SER 31 10.433 4.171 0.669 191 HB2 SER 31 1HB SER 31 11.606 1.977 0.810 192 HB3 SER 31 2HB SER 31 10.380 2.021 -0.457 193 HG SER 31 HG SER 31 13.094 2.596 -0.989 194 H SER 32 H SER 32 11.596 5.007 2.264 195 HA SER 32 HA SER 32 13.280 6.165 3.298 196 HB2 SER 32 1HB SER 32 15.163 4.838 3.791 197 HB3 SER 32 2HB SER 32 13.891 3.664 3.448 198 HG SER 32 HG SER 32 14.849 3.928 1.164 199 H ASP 33 H ASP 33 12.751 7.110 0.680 200 HA ASP 33 HA ASP 33 13.660 8.277 -1.074 201 HB2 ASP 33 1HB ASP 33 15.141 9.135 1.382 202 HB3 ASP 33 2HB ASP 33 15.618 9.791 -0.181 203 H ASP 34 H ASP 34 14.504 5.732 -1.311 204 HA ASP 34 HA ASP 34 17.018 6.052 -2.661 205 HB2 ASP 34 1HB ASP 34 17.593 5.573 -0.212 206 HB3 ASP 34 2HB ASP 34 16.947 3.959 -0.493 207 H GLN 35 H GLN 35 16.992 4.842 -4.442 208 HA GLN 35 HA GLN 35 14.972 2.725 -4.641 209 HB2 GLN 35 1HB GLN 35 15.154 2.981 -7.048 210 HB3 GLN 35 2HB GLN 35 14.872 4.547 -6.301 211 HG2 GLN 35 1HG GLN 35 17.333 4.961 -6.438 212 HG3 GLN 35 2HG GLN 35 17.464 3.479 -7.385 213 HE21 GLN 35 1HE2 GLN 35 18.305 5.843 -8.432 214 HE22 GLN 35 2HE2 GLN 35 17.243 6.341 -9.700 215 H LYS 36 H LYS 36 17.225 2.045 -3.200 216 HA LYS 36 HA LYS 36 18.870 0.457 -5.038 217 HB2 LYS 36 1HB LYS 36 19.771 2.022 -3.122 218 HB3 LYS 36 2HB LYS 36 19.406 0.638 -2.100 219 HG2 LYS 36 1HG LYS 36 21.595 0.232 -2.614 220 HG3 LYS 36 2HG LYS 36 20.785 -0.673 -3.894 221 HD2 LYS 36 1HD LYS 36 20.993 1.489 -5.270 222 HD3 LYS 36 2HD LYS 36 22.171 1.985 -4.053 223 HE2 LYS 36 1HE LYS 36 23.657 0.294 -4.624 224 HE3 LYS 36 2HE LYS 36 22.405 -0.682 -5.391 225 HZ1 LYS 36 3HZ LYS 36 22.273 1.208 -7.070 226 HZ2 LYS 36 1HZ LYS 36 23.627 0.196 -7.148 227 HZ3 LYS 36 2HZ LYS 36 23.755 1.727 -6.440 228 H ILE 37 H ILE 37 16.379 0.202 -2.686 229 HA ILE 37 HA ILE 37 16.706 -2.338 -1.656 230 HB ILE 37 HB ILE 37 14.072 -1.132 -2.509 231 HG12 ILE 37 1HG1 ILE 37 15.752 -0.746 -0.033 232 HG13 ILE 37 2HG1 ILE 37 15.140 0.486 -1.131 233 HG21 ILE 37 1HG2 ILE 37 13.095 -2.897 -1.582 234 HG22 ILE 37 2HG2 ILE 37 14.686 -3.634 -1.403 235 HG23 ILE 37 3HG2 ILE 37 14.008 -2.672 -0.090 236 HD11 ILE 37 3HD1 ILE 37 13.907 -0.705 1.198 237 HD12 ILE 37 1HD1 ILE 37 13.505 0.780 0.336 238 HD13 ILE 37 2HD1 ILE 37 12.859 -0.765 -0.219 239 H ILE 38 H ILE 38 16.221 -4.399 -2.311 240 HA ILE 38 HA ILE 38 15.447 -4.730 -5.136 241 HB ILE 38 HB ILE 38 16.853 -6.763 -5.196 242 HG12 ILE 38 1HG1 ILE 38 16.803 -6.841 -2.564 243 HG13 ILE 38 2HG1 ILE 38 18.193 -7.461 -3.448 244 HG21 ILE 38 1HG2 ILE 38 18.071 -4.082 -4.664 245 HG22 ILE 38 2HG2 ILE 38 19.089 -5.476 -5.025 246 HG23 ILE 38 3HG2 ILE 38 17.882 -4.939 -6.193 247 HD11 ILE 38 3HD1 ILE 38 19.516 -5.641 -2.885 248 HD12 ILE 38 1HD1 ILE 38 18.127 -4.635 -2.476 249 HD13 ILE 38 2HD1 ILE 38 18.599 -5.961 -1.413 250 H SER 39 H SER 39 13.708 -4.720 -2.830 251 HA SER 39 HA SER 39 12.330 -7.186 -3.332 252 HB2 SER 39 1HB SER 39 13.958 -7.919 -1.621 253 HB3 SER 39 2HB SER 39 13.357 -6.671 -0.530 254 HG SER 39 HG SER 39 11.270 -7.722 -0.737 255 H TYR 40 H TYR 40 10.173 -7.003 -2.952 256 HA TYR 40 HA TYR 40 9.178 -4.831 -1.284 257 HB2 TYR 40 1HB TYR 40 8.380 -5.106 -4.189 258 HB3 TYR 40 2HB TYR 40 7.732 -3.940 -3.041 259 HD1 TYR 40 1HD TYR 40 9.154 -2.083 -2.228 260 HD2 TYR 40 2HD TYR 40 10.482 -4.745 -5.270 261 HE1 TYR 40 1HE TYR 40 10.917 -0.485 -2.848 262 HE2 TYR 40 2HE TYR 40 12.250 -3.155 -5.897 263 HH TYR 40 HH TYR 40 13.526 -1.283 -4.774 264 H LEU 41 H LEU 41 7.556 -5.558 -0.087 265 HA LEU 41 HA LEU 41 5.800 -7.647 -1.174 266 HB2 LEU 41 1HB LEU 41 7.557 -8.577 0.369 267 HB3 LEU 41 2HB LEU 41 6.816 -7.632 1.660 268 HG LEU 41 HG LEU 41 4.718 -8.907 1.330 269 HD11 LEU 41 1HD1 LEU 41 5.674 -11.183 -0.006 270 HD12 LEU 41 2HD1 LEU 41 6.101 -9.800 -1.012 271 HD13 LEU 41 3HD1 LEU 41 4.423 -10.060 -0.539 272 HD21 LEU 41 3HD2 LEU 41 5.663 -11.101 2.194 273 HD22 LEU 41 1HD2 LEU 41 6.085 -9.646 3.097 274 HD23 LEU 41 2HD2 LEU 41 7.257 -10.372 1.997 275 H TRP 42 H TRP 42 3.696 -7.248 -0.903 276 HA TRP 42 HA TRP 42 2.925 -5.168 1.039 277 HB2 TRP 42 1HB TRP 42 1.932 -5.685 -1.757 278 HB3 TRP 42 2HB TRP 42 0.977 -4.772 -0.592 279 HD1 TRP 42 HD TRP 42 4.043 -4.500 -2.819 280 HE1 TRP 42 1HE TRP 42 4.866 -2.061 -2.819 281 HE3 TRP 42 3HE TRP 42 1.076 -2.641 0.906 282 HZ2 TRP 42 2HZ TRP 42 4.330 0.333 -1.424 283 HZ3 TRP 42 3HZ TRP 42 1.293 -0.267 1.513 284 HH2 TRP 42 HH TRP 42 2.888 1.188 0.372 285 H GLU 43 H GLU 43 1.599 -5.830 2.589 286 HA GLU 43 HA GLU 43 -0.385 -7.893 2.032 287 HB2 GLU 43 1HB GLU 43 1.229 -8.195 4.532 288 HB3 GLU 43 2HB GLU 43 0.292 -9.399 3.659 289 HG2 GLU 43 1HG GLU 43 2.393 -10.086 3.138 290 HG3 GLU 43 2HG GLU 43 2.101 -8.977 1.799 291 H LYS 44 H LYS 44 -2.235 -7.692 3.214 292 HA LYS 44 HA LYS 44 -2.592 -5.217 4.645 293 HB2 LYS 44 1HB LYS 44 -4.359 -5.955 3.174 294 HB3 LYS 44 2HB LYS 44 -4.482 -7.491 4.022 295 HG2 LYS 44 1HG LYS 44 -5.527 -6.540 5.860 296 HG3 LYS 44 2HG LYS 44 -4.957 -4.916 5.467 297 HD2 LYS 44 1HD LYS 44 -7.292 -5.016 4.963 298 HD3 LYS 44 2HD LYS 44 -6.411 -4.985 3.434 299 HE2 LYS 44 1HE LYS 44 -8.097 -6.626 3.193 300 HE3 LYS 44 2HE LYS 44 -6.586 -7.504 3.425 301 HZ1 LYS 44 3HZ LYS 44 -8.747 -7.065 5.404 302 HZ2 LYS 44 1HZ LYS 44 -7.215 -7.639 5.834 303 HZ3 LYS 44 2HZ LYS 44 -8.190 -8.537 4.784 304 H THR 45 H THR 45 -1.960 -5.048 6.690 305 HA THR 45 HA THR 45 -1.698 -7.318 8.421 306 HB THR 45 HB THR 45 -1.263 -5.473 10.175 307 HG1 THR 45 1HG THR 45 -0.799 -3.809 7.957 308 HG21 THR 45 3HG2 THR 45 0.663 -5.227 7.918 309 HG22 THR 45 1HG2 THR 45 0.391 -6.824 8.613 310 HG23 THR 45 2HG2 THR 45 0.965 -5.504 9.633 311 H GLN 46 H GLN 46 -3.849 -4.489 8.317 312 HA GLN 46 HA GLN 46 -5.750 -5.989 9.986 313 HB2 GLN 46 1HB GLN 46 -4.677 -3.243 10.359 314 HB3 GLN 46 2HB GLN 46 -6.384 -3.491 10.701 315 HG2 GLN 46 1HG GLN 46 -5.897 -5.119 12.364 316 HG3 GLN 46 2HG GLN 46 -4.195 -5.158 11.908 317 HE21 GLN 46 1HE2 GLN 46 -6.172 -4.155 14.231 318 HE22 GLN 46 2HE2 GLN 46 -5.327 -2.758 14.797 319 H GLY 47 H GLY 47 -7.969 -4.698 9.922 320 HA2 GLY 47 1HA GLY 47 -9.525 -3.491 8.573 321 HA3 GLY 47 2HA GLY 47 -8.472 -3.742 7.189 322 HA PRO 48 HA PRO 48 -12.016 -6.893 7.388 323 HB2 PRO 48 1HB PRO 48 -13.468 -5.941 5.301 324 HB3 PRO 48 2HB PRO 48 -13.726 -5.418 6.969 325 HG2 PRO 48 1HG PRO 48 -12.202 -4.068 4.775 326 HG3 PRO 48 2HG PRO 48 -13.319 -3.364 5.958 327 HD2 PRO 48 1HD PRO 48 -10.628 -3.215 6.226 328 HD3 PRO 48 2HD PRO 48 -11.723 -3.311 7.621 329 H ASP 49 H ASP 49 -12.396 -8.544 5.821 330 HA ASP 49 HA ASP 49 -10.226 -8.774 3.883 331 HB2 ASP 49 1HB ASP 49 -12.196 -10.786 4.978 332 HB3 ASP 49 2HB ASP 49 -11.025 -11.160 3.717 333 H GLY 50 H GLY 50 -10.684 -9.681 1.732 334 HA2 GLY 50 1HA GLY 50 -12.650 -10.174 0.194 335 HA3 GLY 50 2HA GLY 50 -13.217 -8.585 0.687 336 H VAL 51 H VAL 51 -10.787 -7.196 0.661 337 HA VAL 51 HA VAL 51 -10.619 -6.359 -1.979 338 HB VAL 51 HB VAL 51 -8.774 -5.027 -1.367 339 HG11 VAL 51 1HG1 VAL 51 -9.620 -4.952 1.361 340 HG12 VAL 51 2HG1 VAL 51 -9.994 -3.831 0.050 341 HG13 VAL 51 3HG1 VAL 51 -11.018 -5.241 0.326 342 HG21 VAL 51 3HG2 VAL 51 -7.339 -5.462 0.549 343 HG22 VAL 51 1HG2 VAL 51 -8.279 -6.900 0.946 344 HG23 VAL 51 2HG2 VAL 51 -7.339 -6.844 -0.546 345 H GLN 52 H GLN 52 -8.762 -6.466 -3.453 346 HA GLN 52 HA GLN 52 -7.367 -9.055 -3.309 347 HB2 GLN 52 1HB GLN 52 -8.639 -7.726 -5.701 348 HB3 GLN 52 2HB GLN 52 -7.497 -9.057 -5.836 349 HG2 GLN 52 1HG GLN 52 -8.977 -10.525 -4.654 350 HG3 GLN 52 2HG GLN 52 -10.082 -9.196 -4.305 351 HE21 GLN 52 1HE2 GLN 52 -9.494 -11.760 -6.301 352 HE22 GLN 52 2HE2 GLN 52 -10.500 -11.317 -7.633 353 H LEU 53 H LEU 53 -5.281 -8.670 -2.982 354 HA LEU 53 HA LEU 53 -4.059 -6.201 -3.875 355 HB2 LEU 53 1HB LEU 53 -3.311 -8.445 -2.092 356 HB3 LEU 53 2HB LEU 53 -1.995 -7.568 -2.870 357 HG LEU 53 HG LEU 53 -4.070 -5.992 -1.435 358 HD11 LEU 53 1HD1 LEU 53 -3.356 -6.476 0.684 359 HD12 LEU 53 2HD1 LEU 53 -1.789 -7.075 0.140 360 HD13 LEU 53 3HD1 LEU 53 -3.231 -8.069 -0.063 361 HD21 LEU 53 3HD2 LEU 53 -2.142 -5.023 -2.737 362 HD22 LEU 53 1HD2 LEU 53 -1.075 -5.706 -1.510 363 HD23 LEU 53 2HD2 LEU 53 -2.274 -4.492 -1.060 364 H GLU 54 H GLU 54 -2.971 -5.945 -5.709 365 HA GLU 54 HA GLU 54 -2.115 -8.359 -7.169 366 HB2 GLU 54 1HB GLU 54 -3.294 -5.770 -8.108 367 HB3 GLU 54 2HB GLU 54 -2.234 -6.678 -9.176 368 HG2 GLU 54 1HG GLU 54 -3.713 -8.415 -9.400 369 HG3 GLU 54 2HG GLU 54 -4.505 -8.082 -7.861 370 H ASN 55 H ASN 55 -0.097 -8.384 -8.139 371 HA ASN 55 HA ASN 55 2.124 -7.940 -8.347 372 HB2 ASN 55 1HB ASN 55 0.867 -5.238 -8.498 373 HB3 ASN 55 2HB ASN 55 2.618 -5.327 -8.332 374 HD21 ASN 55 1HD2 ASN 55 -0.082 -5.793 -10.396 375 HD22 ASN 55 2HD2 ASN 55 0.801 -6.198 -11.826 376 H ALA 56 H ALA 56 0.950 -8.312 -5.691 377 HA ALA 56 HA ALA 56 1.934 -6.618 -3.737 378 HB1 ALA 56 3HB ALA 56 1.455 -8.275 -2.212 379 HB2 ALA 56 1HB ALA 56 0.445 -8.752 -3.577 380 HB3 ALA 56 2HB ALA 56 1.982 -9.568 -3.289 381 H ASN 57 H ASN 57 3.624 -8.909 -5.723 382 HA ASN 57 HA ASN 57 6.011 -8.859 -4.074 383 HB2 ASN 57 1HB ASN 57 5.283 -10.225 -6.658 384 HB3 ASN 57 2HB ASN 57 6.938 -10.214 -6.058 385 HD21 ASN 57 1HD2 ASN 57 3.707 -11.370 -5.546 386 HD22 ASN 57 2HD2 ASN 57 4.105 -12.566 -4.364 387 H SER 58 H SER 58 5.100 -6.338 -5.109 388 HA SER 58 HA SER 58 7.551 -5.523 -6.446 389 HB2 SER 58 1HB SER 58 4.826 -5.346 -7.678 390 HB3 SER 58 2HB SER 58 6.010 -4.084 -8.017 391 HG SER 58 HG SER 58 7.003 -5.415 -9.294 392 H SER 59 H SER 59 7.989 -3.278 -6.273 393 HA SER 59 HA SER 59 7.359 -2.103 -3.854 394 HB2 SER 59 1HB SER 59 9.275 -1.393 -5.192 395 HB3 SER 59 2HB SER 59 8.196 -0.737 -6.424 396 HG SER 59 HG SER 59 8.355 0.141 -3.728 397 H VAL 60 H VAL 60 5.521 -2.186 -6.761 398 HA VAL 60 HA VAL 60 3.605 -0.262 -5.610 399 HB VAL 60 HB VAL 60 3.939 -0.912 -8.540 400 HG11 VAL 60 1HG1 VAL 60 2.420 0.881 -8.948 401 HG12 VAL 60 2HG1 VAL 60 1.678 -0.180 -7.748 402 HG13 VAL 60 3HG1 VAL 60 2.417 1.342 -7.246 403 HG21 VAL 60 3HG2 VAL 60 4.609 1.747 -8.149 404 HG22 VAL 60 1HG2 VAL 60 5.403 0.903 -6.819 405 HG23 VAL 60 2HG2 VAL 60 5.725 0.423 -8.485 406 H ALA 61 H ALA 61 1.791 -1.163 -4.919 407 HA ALA 61 HA ALA 61 0.890 -3.670 -6.183 408 HB1 ALA 61 3HB ALA 61 1.488 -4.153 -3.942 409 HB2 ALA 61 1HB ALA 61 0.639 -2.730 -3.335 410 HB3 ALA 61 2HB ALA 61 -0.274 -4.091 -3.988 411 H THR 62 H THR 62 -1.472 -4.024 -6.135 412 HA THR 62 HA THR 62 -3.022 -1.527 -6.178 413 HB THR 62 HB THR 62 -3.200 -3.665 -8.309 414 HG1 THR 62 1HG THR 62 -1.335 -2.022 -8.205 415 HG21 THR 62 3HG2 THR 62 -4.419 -0.965 -8.574 416 HG22 THR 62 1HG2 THR 62 -5.232 -2.141 -7.543 417 HG23 THR 62 2HG2 THR 62 -4.941 -2.510 -9.243 418 H VAL 63 H VAL 63 -4.507 -1.769 -4.642 419 HA VAL 63 HA VAL 63 -5.680 -4.417 -4.177 420 HB VAL 63 HB VAL 63 -5.803 -1.914 -2.490 421 HG11 VAL 63 1HG1 VAL 63 -6.849 -4.686 -1.923 422 HG12 VAL 63 2HG1 VAL 63 -6.836 -3.335 -0.787 423 HG13 VAL 63 3HG1 VAL 63 -7.825 -3.254 -2.246 424 HG21 VAL 63 3HG2 VAL 63 -3.746 -2.577 -1.899 425 HG22 VAL 63 1HG2 VAL 63 -4.569 -3.864 -1.018 426 HG23 VAL 63 2HG2 VAL 63 -3.945 -4.165 -2.640 427 H THR 64 H THR 64 -7.677 -4.876 -4.822 428 HA THR 64 HA THR 64 -9.452 -2.644 -5.571 429 HB THR 64 HB THR 64 -10.480 -4.101 -7.238 430 HG1 THR 64 1HG THR 64 -9.770 -6.073 -5.954 431 HG21 THR 64 3HG2 THR 64 -7.755 -4.587 -8.088 432 HG22 THR 64 1HG2 THR 64 -7.935 -2.979 -7.390 433 HG23 THR 64 2HG2 THR 64 -8.954 -3.472 -8.743 434 H GLY 65 H GLY 65 -11.838 -3.497 -5.693 435 HA2 GLY 65 1HA GLY 65 -13.681 -4.258 -4.554 436 HA3 GLY 65 2HA GLY 65 -12.665 -5.560 -3.954 437 H LEU 66 H LEU 66 -12.295 -2.075 -3.448 438 HA LEU 66 HA LEU 66 -12.084 -2.518 -0.595 439 HB2 LEU 66 1HB LEU 66 -11.764 -0.108 -2.359 440 HB3 LEU 66 2HB LEU 66 -11.735 0.008 -0.601 441 HG LEU 66 HG LEU 66 -9.846 -1.795 -2.083 442 HD11 LEU 66 1HD1 LEU 66 -8.880 -0.015 -3.000 443 HD12 LEU 66 2HD1 LEU 66 -8.419 0.466 -1.367 444 HD13 LEU 66 3HD1 LEU 66 -9.898 1.100 -2.089 445 HD21 LEU 66 3HD2 LEU 66 -9.385 -0.358 0.504 446 HD22 LEU 66 1HD2 LEU 66 -8.626 -1.828 -0.107 447 HD23 LEU 66 2HD2 LEU 66 -10.297 -1.868 0.457 448 H GLN 67 H GLN 67 -13.278 -1.148 0.943 449 HA GLN 67 HA GLN 67 -15.837 -0.116 0.034 450 HB2 GLN 67 1HB GLN 67 -15.654 -2.348 2.064 451 HB3 GLN 67 2HB GLN 67 -17.119 -1.472 1.642 452 HG2 GLN 67 1HG GLN 67 -16.589 -2.277 -0.769 453 HG3 GLN 67 2HG GLN 67 -15.586 -3.474 0.050 454 HE21 GLN 67 1HE2 GLN 67 -16.557 -5.319 0.432 455 HE22 GLN 67 2HE2 GLN 67 -18.249 -5.553 0.689 456 H VAL 68 H VAL 68 -17.088 0.820 1.936 457 HA VAL 68 HA VAL 68 -15.589 2.769 3.207 458 HB VAL 68 HB VAL 68 -18.231 1.623 4.121 459 HG11 VAL 68 1HG1 VAL 68 -17.507 4.444 4.630 460 HG12 VAL 68 2HG1 VAL 68 -18.442 3.315 5.613 461 HG13 VAL 68 3HG1 VAL 68 -16.680 3.227 5.602 462 HG21 VAL 68 3HG2 VAL 68 -17.578 2.998 1.765 463 HG22 VAL 68 1HG2 VAL 68 -19.186 2.657 2.402 464 HG23 VAL 68 2HG2 VAL 68 -18.381 4.173 2.807 465 H GLY 69 H GLY 69 -13.800 2.040 4.306 466 HA2 GLY 69 1HA GLY 69 -14.130 1.294 7.004 467 HA3 GLY 69 2HA GLY 69 -13.706 -0.132 6.070 468 H THR 70 H THR 70 -11.923 0.257 7.842 469 HA THR 70 HA THR 70 -9.811 1.968 6.718 470 HB THR 70 HB THR 70 -9.533 0.678 9.398 471 HG1 THR 70 1HG THR 70 -11.252 1.684 10.094 472 HG21 THR 70 3HG2 THR 70 -8.014 2.439 7.930 473 HG22 THR 70 1HG2 THR 70 -7.885 2.176 9.669 474 HG23 THR 70 2HG2 THR 70 -8.870 3.500 9.048 475 H TYR 71 H TYR 71 -8.098 1.073 5.770 476 HA TYR 71 HA TYR 71 -7.572 -1.787 6.248 477 HB2 TYR 71 1HB TYR 71 -7.288 -0.248 3.659 478 HB3 TYR 71 2HB TYR 71 -6.785 -1.918 3.898 479 HD1 TYR 71 1HD TYR 71 -9.748 0.319 3.917 480 HD2 TYR 71 2HD TYR 71 -8.323 -3.681 3.657 481 HE1 TYR 71 1HE TYR 71 -12.007 -0.439 3.308 482 HE2 TYR 71 2HE TYR 71 -10.577 -4.451 3.046 483 HH TYR 71 HH TYR 71 -12.625 -3.645 2.174 484 H VAL 72 H VAL 72 -5.636 -2.210 7.062 485 HA VAL 72 HA VAL 72 -3.540 -0.156 6.847 486 HB VAL 72 HB VAL 72 -3.665 -2.416 8.844 487 HG11 VAL 72 1HG1 VAL 72 -2.177 -0.451 9.965 488 HG12 VAL 72 2HG1 VAL 72 -1.509 -1.799 9.041 489 HG13 VAL 72 3HG1 VAL 72 -1.776 -0.239 8.261 490 HG21 VAL 72 3HG2 VAL 72 -4.116 0.188 9.975 491 HG22 VAL 72 1HG2 VAL 72 -5.323 -0.161 8.737 492 HG23 VAL 72 2HG2 VAL 72 -5.104 -1.268 10.092 493 H PHE 73 H PHE 73 -2.375 -0.651 5.070 494 HA PHE 73 HA PHE 73 -1.520 -3.430 4.679 495 HB2 PHE 73 1HB PHE 73 -1.314 -1.083 2.781 496 HB3 PHE 73 2HB PHE 73 -0.925 -2.759 2.407 497 HD1 PHE 73 1HD PHE 73 -2.716 -4.437 2.237 498 HD2 PHE 73 2HD PHE 73 -3.559 -0.302 2.792 499 HE1 PHE 73 1HE PHE 73 -5.041 -4.820 1.530 500 HE2 PHE 73 2HE PHE 73 -5.886 -0.678 2.087 501 HZ PHE 73 HZ PHE 73 -6.630 -2.940 1.455 502 H THR 74 H THR 74 0.456 -4.016 5.256 503 HA THR 74 HA THR 74 2.439 -1.939 5.837 504 HB THR 74 HB THR 74 2.329 -4.855 6.625 505 HG1 THR 74 1HG THR 74 2.094 -3.926 8.718 506 HG21 THR 74 3HG2 THR 74 4.439 -2.776 7.213 507 HG22 THR 74 1HG2 THR 74 4.645 -4.247 6.263 508 HG23 THR 74 2HG2 THR 74 4.332 -4.352 7.995 509 H LEU 75 H LEU 75 4.477 -1.921 4.932 510 HA LEU 75 HA LEU 75 4.899 -3.765 2.673 511 HB2 LEU 75 1HB LEU 75 4.513 -1.706 1.663 512 HB3 LEU 75 2HB LEU 75 5.370 -0.821 2.924 513 HG LEU 75 HG LEU 75 7.474 -2.014 1.994 514 HD11 LEU 75 1HD1 LEU 75 6.028 -2.006 -0.598 515 HD12 LEU 75 2HD1 LEU 75 5.805 -3.390 0.471 516 HD13 LEU 75 3HD1 LEU 75 7.422 -2.953 -0.079 517 HD21 LEU 75 3HD2 LEU 75 7.679 0.190 1.617 518 HD22 LEU 75 1HD2 LEU 75 6.010 0.358 1.074 519 HD23 LEU 75 2HD2 LEU 75 7.244 -0.231 -0.040 520 H THR 76 H THR 76 6.356 -5.198 3.388 521 HA THR 76 HA THR 76 8.615 -4.274 5.004 522 HB THR 76 HB THR 76 7.940 -7.130 4.293 523 HG1 THR 76 1HG THR 76 7.302 -5.986 6.785 524 HG21 THR 76 3HG2 THR 76 9.378 -6.183 6.745 525 HG22 THR 76 1HG2 THR 76 10.246 -6.375 5.222 526 HG23 THR 76 2HG2 THR 76 9.436 -7.759 5.957 527 H VAL 77 H VAL 77 10.247 -3.519 3.805 528 HA VAL 77 HA VAL 77 11.014 -5.008 1.383 529 HB VAL 77 HB VAL 77 12.174 -2.986 0.645 530 HG11 VAL 77 1HG1 VAL 77 9.420 -3.380 0.769 531 HG12 VAL 77 2HG1 VAL 77 9.659 -1.686 1.205 532 HG13 VAL 77 3HG1 VAL 77 10.291 -2.303 -0.322 533 HG21 VAL 77 3HG2 VAL 77 11.117 -1.790 3.204 534 HG22 VAL 77 1HG2 VAL 77 12.807 -2.036 2.764 535 HG23 VAL 77 2HG2 VAL 77 11.828 -0.862 1.884 536 H LYS 78 H LYS 78 13.124 -5.657 1.077 537 HA LYS 78 HA LYS 78 14.935 -5.324 3.378 538 HB2 LYS 78 1HB LYS 78 14.112 -7.771 1.901 539 HB3 LYS 78 2HB LYS 78 15.792 -7.666 2.412 540 HG2 LYS 78 1HG LYS 78 15.058 -7.318 4.724 541 HG3 LYS 78 2HG LYS 78 13.378 -7.456 4.201 542 HD2 LYS 78 1HD LYS 78 15.296 -9.646 3.542 543 HD3 LYS 78 2HD LYS 78 14.651 -9.531 5.181 544 HE2 LYS 78 1HE LYS 78 12.478 -9.930 4.491 545 HE3 LYS 78 2HE LYS 78 12.799 -9.412 2.837 546 HZ1 LYS 78 3HZ LYS 78 13.233 -11.493 2.268 547 HZ2 LYS 78 1HZ LYS 78 12.790 -12.001 3.820 548 HZ3 LYS 78 2HZ LYS 78 14.407 -11.643 3.477 549 H ASP 79 H ASP 79 16.758 -4.322 2.872 550 HA ASP 79 HA ASP 79 17.468 -3.822 0.134 551 HB2 ASP 79 1HB ASP 79 17.786 -2.298 2.238 552 HB3 ASP 79 2HB ASP 79 19.280 -3.207 2.442 553 H GLU 80 H GLU 80 20.106 -3.923 -0.109 554 HA GLU 80 HA GLU 80 20.647 -6.646 -0.582 555 HB2 GLU 80 1HB GLU 80 22.986 -5.840 -1.042 556 HB3 GLU 80 2HB GLU 80 21.724 -5.025 -1.956 557 HG2 GLU 80 1HG GLU 80 21.880 -3.082 -0.639 558 HG3 GLU 80 2HG GLU 80 22.840 -3.901 0.592 559 H ARG 81 H ARG 81 21.308 -4.550 2.120 560 HA ARG 81 HA ARG 81 23.196 -6.346 3.352 561 HB2 ARG 81 1HB ARG 81 21.951 -3.731 4.059 562 HB3 ARG 81 2HB ARG 81 22.606 -4.712 5.363 563 HG2 ARG 81 1HG ARG 81 24.712 -4.823 3.811 564 HG3 ARG 81 2HG ARG 81 24.010 -3.361 3.115 565 HD2 ARG 81 1HD ARG 81 23.835 -2.531 5.535 566 HD3 ARG 81 2HD ARG 81 24.942 -3.846 5.926 567 HE ARG 81 HE ARG 81 25.955 -2.300 3.783 568 HH11 ARG 81 2HH1 ARG 81 25.477 -2.232 7.230 569 HH12 ARG 81 1HH1 ARG 81 26.805 -1.159 7.525 570 HH21 ARG 81 2HH2 ARG 81 27.705 -0.886 4.157 571 HH22 ARG 81 1HH2 ARG 81 28.071 -0.392 5.776 572 H ASN 82 H ASN 82 20.098 -6.792 2.794 573 HA ASN 82 HA ASN 82 18.478 -8.119 3.683 574 HB2 ASN 82 1HB ASN 82 20.317 -9.685 4.130 575 HB3 ASN 82 2HB ASN 82 20.639 -8.879 5.662 576 HD21 ASN 82 1HD2 ASN 82 18.027 -10.477 3.883 577 HD22 ASN 82 2HD2 ASN 82 17.316 -11.232 5.264 578 H LEU 83 H LEU 83 18.702 -5.382 4.501 579 HA LEU 83 HA LEU 83 18.158 -5.238 7.322 580 HB2 LEU 83 1HB LEU 83 18.184 -3.287 5.059 581 HB3 LEU 83 2HB LEU 83 17.433 -2.843 6.591 582 HG LEU 83 HG LEU 83 20.285 -3.782 6.393 583 HD11 LEU 83 1HD1 LEU 83 19.103 -1.098 5.894 584 HD12 LEU 83 2HD1 LEU 83 20.482 -1.886 5.129 585 HD13 LEU 83 3HD1 LEU 83 20.642 -1.204 6.748 586 HD21 LEU 83 3HD2 LEU 83 20.139 -3.726 8.607 587 HD22 LEU 83 1HD2 LEU 83 18.497 -3.086 8.531 588 HD23 LEU 83 2HD2 LEU 83 19.875 -1.985 8.501 589 H GLN 84 H GLN 84 16.297 -5.906 8.149 590 HA GLN 84 HA GLN 84 13.897 -5.996 6.524 591 HB2 GLN 84 1HB GLN 84 14.747 -7.111 9.145 592 HB3 GLN 84 2HB GLN 84 13.026 -6.837 8.909 593 HG2 GLN 84 1HG GLN 84 12.869 -8.403 7.226 594 HG3 GLN 84 2HG GLN 84 14.587 -8.316 6.843 595 HE21 GLN 84 1HE2 GLN 84 12.397 -10.344 7.946 596 HE22 GLN 84 2HE2 GLN 84 13.325 -11.269 9.070 597 H SER 85 H SER 85 12.409 -4.454 6.475 598 HA SER 85 HA SER 85 12.246 -2.582 8.744 599 HB2 SER 85 1HB SER 85 11.650 -0.808 7.093 600 HB3 SER 85 2HB SER 85 13.290 -1.424 6.886 601 HG SER 85 HG SER 85 11.013 -2.213 5.383 602 H GLN 86 H GLN 86 10.076 -1.178 8.267 603 HA GLN 86 HA GLN 86 7.875 -2.714 7.272 604 HB2 GLN 86 1HB GLN 86 8.525 -3.613 9.653 605 HB3 GLN 86 2HB GLN 86 7.690 -2.168 10.208 606 HG2 GLN 86 1HG GLN 86 5.736 -2.943 8.778 607 HG3 GLN 86 2HG GLN 86 6.579 -4.487 8.668 608 HE21 GLN 86 1HE2 GLN 86 6.653 -5.825 10.424 609 HE22 GLN 86 2HE2 GLN 86 5.752 -5.544 11.871 610 H SER 87 H SER 87 6.125 -1.448 6.858 611 HA SER 87 HA SER 87 5.791 1.114 8.154 612 HB2 SER 87 1HB SER 87 5.799 2.354 5.963 613 HB3 SER 87 2HB SER 87 7.385 1.785 6.483 614 HG SER 87 HG SER 87 6.734 -0.150 5.101 615 H SER 88 H SER 88 3.691 1.285 8.520 616 HA SER 88 HA SER 88 1.819 -0.090 6.724 617 HB2 SER 88 1HB SER 88 0.199 0.136 8.605 618 HB3 SER 88 2HB SER 88 1.642 -0.779 9.044 619 HG SER 88 HG SER 88 0.707 1.209 10.353 620 H VAL 89 H VAL 89 -0.150 0.958 6.105 621 HA VAL 89 HA VAL 89 -0.107 3.893 6.278 622 HB VAL 89 HB VAL 89 0.807 3.360 4.101 623 HG11 VAL 89 1HG1 VAL 89 0.115 1.690 2.782 624 HG12 VAL 89 2HG1 VAL 89 -0.766 1.119 4.201 625 HG13 VAL 89 3HG1 VAL 89 -1.586 2.108 2.992 626 HG21 VAL 89 3HG2 VAL 89 -0.345 5.259 3.706 627 HG22 VAL 89 1HG2 VAL 89 -1.369 4.198 2.739 628 HG23 VAL 89 2HG2 VAL 89 -1.840 4.618 4.386 629 H ASN 90 H ASN 90 -2.033 4.805 6.690 630 HA ASN 90 HA ASN 90 -4.293 3.069 7.172 631 HB2 ASN 90 1HB ASN 90 -3.664 5.946 7.726 632 HB3 ASN 90 2HB ASN 90 -5.336 5.397 7.797 633 HD21 ASN 90 1HD2 ASN 90 -5.615 3.322 9.099 634 HD22 ASN 90 2HD2 ASN 90 -4.777 3.261 10.609 635 H VAL 91 H VAL 91 -5.693 2.559 5.636 636 HA VAL 91 HA VAL 91 -6.210 4.514 3.490 637 HB VAL 91 HB VAL 91 -6.322 1.498 3.384 638 HG11 VAL 91 1HG1 VAL 91 -6.936 3.428 1.154 639 HG12 VAL 91 2HG1 VAL 91 -7.078 1.669 1.126 640 HG13 VAL 91 3HG1 VAL 91 -8.169 2.627 2.128 641 HG21 VAL 91 3HG2 VAL 91 -4.337 1.540 2.327 642 HG22 VAL 91 1HG2 VAL 91 -4.727 3.013 1.439 643 HG23 VAL 91 2HG2 VAL 91 -4.157 3.113 3.105 644 H ILE 92 H ILE 92 -8.064 5.521 3.948 645 HA ILE 92 HA ILE 92 -10.301 3.947 5.027 646 HB ILE 92 HB ILE 92 -9.876 6.937 4.996 647 HG12 ILE 92 1HG1 ILE 92 -10.085 6.329 7.584 648 HG13 ILE 92 2HG1 ILE 92 -9.474 4.780 7.014 649 HG21 ILE 92 1HG2 ILE 92 -12.203 6.601 4.791 650 HG22 ILE 92 2HG2 ILE 92 -12.187 5.264 5.939 651 HG23 ILE 92 3HG2 ILE 92 -11.911 6.912 6.502 652 HD11 ILE 92 3HD1 ILE 92 -7.592 6.004 7.675 653 HD12 ILE 92 1HD1 ILE 92 -7.607 6.091 5.914 654 HD13 ILE 92 2HD1 ILE 92 -8.156 7.468 6.870 655 H VAL 93 H VAL 93 -12.358 4.076 4.098 656 HA VAL 93 HA VAL 93 -12.429 5.192 1.369 657 HB VAL 93 HB VAL 93 -13.785 2.674 2.344 658 HG11 VAL 93 1HG1 VAL 93 -13.998 2.611 -0.344 659 HG12 VAL 93 2HG1 VAL 93 -15.252 3.241 0.727 660 HG13 VAL 93 3HG1 VAL 93 -14.121 4.346 -0.057 661 HG21 VAL 93 3HG2 VAL 93 -11.284 2.593 1.957 662 HG22 VAL 93 1HG2 VAL 93 -12.252 1.450 1.026 663 HG23 VAL 93 2HG2 VAL 93 -11.631 2.911 0.257 664 H LYS 94 H LYS 94 -13.876 6.749 1.123 665 HA LYS 94 HA LYS 94 -16.096 6.941 3.035 666 HB2 LYS 94 1HB LYS 94 -14.527 8.919 1.461 667 HB3 LYS 94 2HB LYS 94 -16.217 9.294 1.773 668 HG2 LYS 94 1HG LYS 94 -15.215 10.287 3.570 669 HG3 LYS 94 2HG LYS 94 -15.584 8.696 4.240 670 HD2 LYS 94 1HD LYS 94 -13.281 7.974 3.659 671 HD3 LYS 94 2HD LYS 94 -12.934 9.622 3.130 672 HE2 LYS 94 1HE LYS 94 -13.999 9.111 5.879 673 HE3 LYS 94 2HE LYS 94 -12.286 8.875 5.535 674 HZ1 LYS 94 3HZ LYS 94 -11.944 11.056 5.551 675 HZ2 LYS 94 1HZ LYS 94 -13.505 11.239 6.177 676 HZ3 LYS 94 2HZ LYS 94 -13.243 11.359 4.510 677 H GLU 95 H GLU 95 -18.138 7.937 2.092 678 HA GLU 95 HA GLU 95 -18.904 6.348 -0.217 679 HB2 GLU 95 1HB GLU 95 -20.345 7.789 1.952 680 HB3 GLU 95 2HB GLU 95 -21.186 7.575 0.422 681 HG2 GLU 95 1HG GLU 95 -20.813 5.152 0.577 682 HG3 GLU 95 2HG GLU 95 -20.033 5.390 2.140 683 H GLU 96 H GLU 96 -20.375 7.382 -1.857 684 HA GLU 96 HA GLU 96 -19.055 9.331 -3.299 685 HB2 GLU 96 1HB GLU 96 -21.802 8.201 -3.344 686 HB3 GLU 96 2HB GLU 96 -21.546 9.704 -4.220 687 HG2 GLU 96 1HG GLU 96 -20.130 8.737 -5.745 688 HG3 GLU 96 2HG GLU 96 -19.668 7.434 -4.652 689 H SER 97 H SER 97 -20.294 11.450 -4.007 690 HA SER 97 HA SER 97 -19.924 13.403 -2.195 691 HB2 SER 97 1HB SER 97 -20.445 14.156 -4.344 692 HB3 SER 97 2HB SER 97 -21.917 13.190 -4.433 693 HG SER 97 HG SER 97 -22.257 15.479 -4.091 694 H GLY 98 H GLY 98 -20.635 13.725 -0.200 695 HA2 GLY 98 1HA GLY 98 -21.966 13.651 1.674 696 HA3 GLY 98 2HA GLY 98 -23.250 14.120 0.569 697 HA PRO 99 HA PRO 99 -24.228 9.955 2.430 698 HB2 PRO 99 1HB PRO 99 -26.707 10.637 3.303 699 HB3 PRO 99 2HB PRO 99 -25.248 10.876 4.271 700 HG2 PRO 99 1HG PRO 99 -26.762 12.851 2.607 701 HG3 PRO 99 2HG PRO 99 -26.066 13.052 4.226 702 HD2 PRO 99 1HD PRO 99 -24.851 13.982 1.991 703 HD3 PRO 99 2HD PRO 99 -23.942 13.410 3.405 704 H SER 100 H SER 100 -25.173 8.420 1.224 705 HA SER 100 HA SER 100 -27.024 9.283 -0.900 706 HB2 SER 100 1HB SER 100 -24.804 7.287 -0.861 707 HB3 SER 100 2HB SER 100 -26.199 6.960 -1.888 708 HG SER 100 HG SER 100 -25.755 9.331 -2.517 709 H SER 101 H SER 101 -29.024 8.877 -0.180 710 HA SER 101 HA SER 101 -29.563 6.446 1.340 711 HB2 SER 101 1HB SER 101 -30.478 8.763 1.958 712 HB3 SER 101 2HB SER 101 -31.583 8.559 0.599 713 HG SER 101 HG SER 101 -32.586 7.808 2.450 714 H GLY 102 H GLY 102 -31.080 4.887 0.713 715 HA2 GLY 102 1HA GLY 102 -32.814 4.747 -1.333 716 HA3 GLY 102 2HA GLY 102 -31.278 4.544 -2.161 Start of MODEL 7 1 H1 GLY 1 H GLY 1 27.542 3.011 15.646 2 HA2 GLY 1 1HA GLY 1 27.855 2.956 18.347 3 HA3 GLY 1 2HA GLY 1 26.789 4.096 17.539 4 H SER 2 H SER 2 24.722 2.602 16.687 5 HA SER 2 HA SER 2 23.771 0.832 18.748 6 HB2 SER 2 1HB SER 2 22.658 3.625 18.477 7 HB3 SER 2 2HB SER 2 21.736 2.308 19.202 8 HG SER 2 HG SER 2 24.327 3.050 20.075 9 H SER 3 H SER 3 22.466 -0.622 17.849 10 HA SER 3 HA SER 3 21.619 -0.262 15.109 11 HB2 SER 3 1HB SER 3 21.141 -2.574 15.098 12 HB3 SER 3 2HB SER 3 22.558 -2.424 16.138 13 HG SER 3 HG SER 3 21.389 -2.955 17.835 14 H GLY 4 H GLY 4 19.412 -0.687 14.402 15 HA2 GLY 4 1HA GLY 4 17.072 -1.026 15.308 16 HA3 GLY 4 2HA GLY 4 17.459 0.316 16.375 17 H SER 5 H SER 5 16.556 2.151 15.758 18 HA SER 5 HA SER 5 15.446 3.661 14.434 19 HB2 SER 5 1HB SER 5 16.873 4.636 12.693 20 HB3 SER 5 2HB SER 5 17.810 4.301 14.148 21 HG SER 5 HG SER 5 19.045 3.135 12.931 22 H SER 6 H SER 6 14.368 1.188 14.007 23 HA SER 6 HA SER 6 14.333 0.412 11.274 24 HB2 SER 6 1HB SER 6 12.669 -0.244 13.681 25 HB3 SER 6 2HB SER 6 12.120 -0.743 12.081 26 HG SER 6 HG SER 6 14.765 -1.280 12.823 27 H GLY 7 H GLY 7 13.177 1.158 9.607 28 HA2 GLY 7 1HA GLY 7 10.684 2.029 9.327 29 HA3 GLY 7 2HA GLY 7 11.420 3.439 10.073 30 H GLN 8 H GLN 8 13.020 1.286 7.797 31 HA GLN 8 HA GLN 8 13.417 3.569 6.015 32 HB2 GLN 8 1HB GLN 8 14.731 0.848 6.069 33 HB3 GLN 8 2HB GLN 8 15.128 2.133 4.936 34 HG2 GLN 8 1HG GLN 8 16.775 2.342 6.530 35 HG3 GLN 8 2HG GLN 8 15.589 3.539 7.048 36 HE21 GLN 8 1HE2 GLN 8 17.175 0.577 7.788 37 HE22 GLN 8 2HE2 GLN 8 16.522 0.370 9.373 38 H ALA 9 H ALA 9 10.985 3.179 5.575 39 HA ALA 9 HA ALA 9 10.802 1.960 2.980 40 HB1 ALA 9 3HB ALA 9 9.413 0.185 3.386 41 HB2 ALA 9 1HB ALA 9 10.414 0.142 4.838 42 HB3 ALA 9 2HB ALA 9 8.805 0.863 4.897 43 H ASP 10 H ASP 10 9.629 3.321 1.815 44 HA ASP 10 HA ASP 10 7.698 5.058 3.174 45 HB2 ASP 10 1HB ASP 10 9.407 6.201 1.858 46 HB3 ASP 10 2HB ASP 10 8.953 5.275 0.430 47 H ALA 11 H ALA 11 5.850 3.863 3.319 48 HA ALA 11 HA ALA 11 4.855 2.317 1.107 49 HB1 ALA 11 3HB ALA 11 3.802 2.975 3.836 50 HB2 ALA 11 1HB ALA 11 2.802 2.151 2.639 51 HB3 ALA 11 2HB ALA 11 4.309 1.415 3.188 52 H GLY 12 H GLY 12 4.614 5.577 2.129 53 HA2 GLY 12 1HA GLY 12 3.762 7.132 0.427 54 HA3 GLY 12 2HA GLY 12 2.436 6.005 0.177 55 HA PRO 13 HA PRO 13 1.523 9.341 3.477 56 HB2 PRO 13 1HB PRO 13 0.056 11.053 1.965 57 HB3 PRO 13 2HB PRO 13 1.803 11.214 2.176 58 HG2 PRO 13 1HG PRO 13 0.273 10.020 -0.103 59 HG3 PRO 13 2HG PRO 13 1.685 11.092 -0.143 60 HD2 PRO 13 1HD PRO 13 1.878 8.415 -0.500 61 HD3 PRO 13 2HD PRO 13 3.161 9.371 0.269 62 H ASP 14 H ASP 14 -0.639 9.870 4.284 63 HA ASP 14 HA ASP 14 -2.362 7.817 4.529 64 HB2 ASP 14 1HB ASP 14 -3.865 9.279 5.487 65 HB3 ASP 14 2HB ASP 14 -2.402 10.260 5.523 66 H LYS 15 H LYS 15 -4.318 7.135 3.583 67 HA LYS 15 HA LYS 15 -4.673 7.979 0.780 68 HB2 LYS 15 1HB LYS 15 -4.676 5.257 2.029 69 HB3 LYS 15 2HB LYS 15 -5.651 5.550 0.595 70 HG2 LYS 15 1HG LYS 15 -2.801 6.386 0.548 71 HG3 LYS 15 2HG LYS 15 -3.178 4.665 0.430 72 HD2 LYS 15 1HD LYS 15 -4.580 5.067 -1.499 73 HD3 LYS 15 2HD LYS 15 -4.344 6.809 -1.345 74 HE2 LYS 15 1HE LYS 15 -2.850 6.195 -3.025 75 HE3 LYS 15 2HE LYS 15 -1.841 6.285 -1.583 76 HZ1 LYS 15 3HZ LYS 15 -1.502 4.066 -1.570 77 HZ2 LYS 15 1HZ LYS 15 -1.810 4.220 -3.226 78 HZ3 LYS 15 2HZ LYS 15 -3.035 3.697 -2.184 79 H GLU 16 H GLU 16 -6.633 8.694 0.229 80 HA GLU 16 HA GLU 16 -8.923 7.992 1.932 81 HB2 GLU 16 1HB GLU 16 -7.833 10.384 2.218 82 HB3 GLU 16 2HB GLU 16 -8.759 10.736 0.765 83 HG2 GLU 16 1HG GLU 16 -10.804 10.002 1.922 84 HG3 GLU 16 2HG GLU 16 -9.856 9.741 3.385 85 H LEU 17 H LEU 17 -10.224 6.842 0.666 86 HA LEU 17 HA LEU 17 -10.591 7.700 -2.126 87 HB2 LEU 17 1HB LEU 17 -11.300 4.999 -1.024 88 HB3 LEU 17 2HB LEU 17 -11.100 5.475 -2.709 89 HG LEU 17 HG LEU 17 -8.801 5.448 -0.772 90 HD11 LEU 17 1HD1 LEU 17 -8.290 3.241 -1.303 91 HD12 LEU 17 2HD1 LEU 17 -9.403 3.209 -2.670 92 HD13 LEU 17 3HD1 LEU 17 -10.031 3.207 -1.022 93 HD21 LEU 17 3HD2 LEU 17 -8.976 6.543 -3.226 94 HD22 LEU 17 1HD2 LEU 17 -8.481 4.904 -3.651 95 HD23 LEU 17 2HD2 LEU 17 -7.489 5.869 -2.558 96 H THR 18 H THR 18 -12.724 7.581 -3.027 97 HA THR 18 HA THR 18 -14.918 7.503 -1.080 98 HB THR 18 HB THR 18 -14.576 9.712 -3.117 99 HG1 THR 18 1HG THR 18 -14.616 10.091 -0.322 100 HG21 THR 18 3HG2 THR 18 -16.806 8.825 -1.404 101 HG22 THR 18 1HG2 THR 18 -16.830 9.730 -2.917 102 HG23 THR 18 2HG2 THR 18 -16.484 10.559 -1.399 103 H LEU 19 H LEU 19 -16.313 6.030 -1.770 104 HA LEU 19 HA LEU 19 -16.401 4.648 -4.074 105 HB2 LEU 19 1HB LEU 19 -18.592 5.534 -2.248 106 HB3 LEU 19 2HB LEU 19 -18.986 4.630 -3.709 107 HG LEU 19 HG LEU 19 -18.731 3.362 -1.476 108 HD11 LEU 19 1HD1 LEU 19 -17.085 2.268 -3.729 109 HD12 LEU 19 2HD1 LEU 19 -18.831 2.464 -3.875 110 HD13 LEU 19 3HD1 LEU 19 -18.164 1.415 -2.624 111 HD21 LEU 19 3HD2 LEU 19 -16.362 2.570 -1.152 112 HD22 LEU 19 1HD2 LEU 19 -16.680 4.238 -0.674 113 HD23 LEU 19 2HD2 LEU 19 -15.858 3.899 -2.197 114 HA PRO 20 HA PRO 20 -18.275 3.719 -5.326 115 HB2 PRO 20 1HB PRO 20 -17.921 3.147 -7.956 116 HB3 PRO 20 2HB PRO 20 -19.454 3.730 -7.298 117 HG2 PRO 20 1HG PRO 20 -17.306 5.249 -8.726 118 HG3 PRO 20 2HG PRO 20 -19.066 5.352 -8.919 119 HD2 PRO 20 1HD PRO 20 -17.650 7.153 -7.475 120 HD3 PRO 20 2HD PRO 20 -19.316 6.697 -7.064 121 H VAL 21 H VAL 21 -15.614 5.613 -6.012 122 HA VAL 21 HA VAL 21 -13.688 3.958 -7.069 123 HB VAL 21 HB VAL 21 -13.324 5.961 -4.837 124 HG11 VAL 21 1HG1 VAL 21 -11.405 4.525 -4.929 125 HG12 VAL 21 2HG1 VAL 21 -11.323 4.670 -6.686 126 HG13 VAL 21 3HG1 VAL 21 -10.981 6.069 -5.667 127 HG21 VAL 21 3HG2 VAL 21 -13.407 7.602 -6.359 128 HG22 VAL 21 1HG2 VAL 21 -12.476 6.677 -7.538 129 HG23 VAL 21 2HG2 VAL 21 -14.215 6.419 -7.388 130 H ASP 22 H ASP 22 -13.881 1.823 -6.428 131 HA ASP 22 HA ASP 22 -13.292 1.254 -3.599 132 HB2 ASP 22 1HB ASP 22 -14.233 -1.019 -4.086 133 HB3 ASP 22 2HB ASP 22 -15.400 0.292 -4.235 134 H SER 23 H SER 23 -11.189 1.988 -5.241 135 HA SER 23 HA SER 23 -9.486 -0.301 -4.987 136 HB2 SER 23 1HB SER 23 -8.781 -0.347 -7.381 137 HB3 SER 23 2HB SER 23 -10.445 -0.878 -7.138 138 HG SER 23 HG SER 23 -10.763 0.549 -8.678 139 H THR 24 H THR 24 -7.296 0.230 -5.046 140 HA THR 24 HA THR 24 -6.470 2.902 -5.789 141 HB THR 24 HB THR 24 -7.365 2.987 -3.374 142 HG1 THR 24 1HG THR 24 -4.681 3.814 -3.462 143 HG21 THR 24 3HG2 THR 24 -4.671 1.801 -2.742 144 HG22 THR 24 1HG2 THR 24 -6.147 0.837 -2.762 145 HG23 THR 24 2HG2 THR 24 -5.986 2.180 -1.631 146 H THR 25 H THR 25 -4.231 3.119 -6.022 147 HA THR 25 HA THR 25 -2.777 0.563 -6.023 148 HB THR 25 HB THR 25 -1.170 1.824 -7.554 149 HG1 THR 25 1HG THR 25 -2.468 3.590 -8.666 150 HG21 THR 25 3HG2 THR 25 -3.583 0.477 -8.074 151 HG22 THR 25 1HG2 THR 25 -2.218 0.700 -9.167 152 HG23 THR 25 2HG2 THR 25 -3.546 1.861 -9.167 153 H LEU 26 H LEU 26 -1.169 0.253 -4.632 154 HA LEU 26 HA LEU 26 -0.259 2.501 -3.006 155 HB2 LEU 26 1HB LEU 26 0.103 -0.476 -2.730 156 HB3 LEU 26 2HB LEU 26 0.825 0.706 -1.640 157 HG LEU 26 HG LEU 26 -2.134 0.707 -2.031 158 HD11 LEU 26 1HD1 LEU 26 -0.675 -1.567 -1.138 159 HD12 LEU 26 2HD1 LEU 26 -2.421 -1.328 -1.206 160 HD13 LEU 26 3HD1 LEU 26 -1.523 -0.863 0.239 161 HD21 LEU 26 3HD2 LEU 26 -0.575 1.115 0.496 162 HD22 LEU 26 1HD2 LEU 26 -2.176 1.716 0.066 163 HD23 LEU 26 2HD2 LEU 26 -0.742 2.407 -0.693 164 H ASP 27 H ASP 27 1.135 3.554 -4.425 165 HA ASP 27 HA ASP 27 3.378 2.069 -5.544 166 HB2 ASP 27 1HB ASP 27 2.074 3.878 -6.801 167 HB3 ASP 27 2HB ASP 27 2.910 5.038 -5.772 168 H GLY 28 H GLY 28 5.099 1.727 -4.307 169 HA2 GLY 28 1HA GLY 28 5.762 3.705 -2.230 170 HA3 GLY 28 2HA GLY 28 6.268 2.022 -2.228 171 H SER 29 H SER 29 6.459 3.893 -5.146 172 HA SER 29 HA SER 29 9.193 3.352 -5.516 173 HB2 SER 29 1HB SER 29 7.749 3.800 -7.414 174 HB3 SER 29 2HB SER 29 7.418 5.428 -6.822 175 HG SER 29 HG SER 29 9.430 6.050 -7.357 176 H LYS 30 H LYS 30 7.539 5.903 -3.866 177 HA LYS 30 HA LYS 30 9.743 7.740 -3.847 178 HB2 LYS 30 1HB LYS 30 7.119 7.598 -2.383 179 HB3 LYS 30 2HB LYS 30 8.327 8.808 -1.971 180 HG2 LYS 30 1HG LYS 30 6.913 9.904 -3.453 181 HG3 LYS 30 2HG LYS 30 8.284 9.424 -4.456 182 HD2 LYS 30 1HD LYS 30 6.458 8.824 -5.758 183 HD3 LYS 30 2HD LYS 30 6.875 7.310 -4.952 184 HE2 LYS 30 1HE LYS 30 4.568 7.421 -4.703 185 HE3 LYS 30 2HE LYS 30 5.165 8.053 -3.168 186 HZ1 LYS 30 3HZ LYS 30 4.063 9.919 -3.542 187 HZ2 LYS 30 1HZ LYS 30 3.472 9.302 -5.002 188 HZ3 LYS 30 2HZ LYS 30 4.918 10.179 -4.979 189 H SER 31 H SER 31 10.780 5.359 -3.086 190 HA SER 31 HA SER 31 10.951 5.349 -0.171 191 HB2 SER 31 1HB SER 31 12.113 3.228 -0.414 192 HB3 SER 31 2HB SER 31 10.646 3.201 -1.392 193 HG SER 31 HG SER 31 13.289 3.681 -2.312 194 H SER 32 H SER 32 12.018 7.630 -1.101 195 HA SER 32 HA SER 32 14.575 7.843 -1.969 196 HB2 SER 32 1HB SER 32 12.933 9.674 -1.125 197 HB3 SER 32 2HB SER 32 13.736 9.452 0.429 198 HG SER 32 HG SER 32 15.412 10.481 -0.311 199 H ASP 33 H ASP 33 13.793 7.695 1.511 200 HA ASP 33 HA ASP 33 16.216 7.493 2.642 201 HB2 ASP 33 1HB ASP 33 14.122 7.342 3.915 202 HB3 ASP 33 2HB ASP 33 13.869 5.705 3.315 203 H ASP 34 H ASP 34 14.481 4.680 1.308 204 HA ASP 34 HA ASP 34 17.093 3.361 0.963 205 HB2 ASP 34 1HB ASP 34 14.560 2.329 2.146 206 HB3 ASP 34 2HB ASP 34 15.526 1.217 1.181 207 H GLN 35 H GLN 35 17.304 3.915 -1.189 208 HA GLN 35 HA GLN 35 15.174 3.087 -3.023 209 HB2 GLN 35 1HB GLN 35 17.600 4.840 -3.417 210 HB3 GLN 35 2HB GLN 35 16.530 4.354 -4.725 211 HG2 GLN 35 1HG GLN 35 14.675 5.363 -3.188 212 HG3 GLN 35 2HG GLN 35 16.032 6.225 -2.463 213 HE21 GLN 35 1HE2 GLN 35 17.272 7.630 -3.787 214 HE22 GLN 35 2HE2 GLN 35 16.589 8.331 -5.211 215 H LYS 36 H LYS 36 18.220 2.125 -1.852 216 HA LYS 36 HA LYS 36 18.749 0.428 -4.181 217 HB2 LYS 36 1HB LYS 36 20.553 1.865 -3.077 218 HB3 LYS 36 2HB LYS 36 20.497 0.721 -1.743 219 HG2 LYS 36 1HG LYS 36 22.262 -0.033 -3.046 220 HG3 LYS 36 2HG LYS 36 20.920 -1.076 -3.524 221 HD2 LYS 36 1HD LYS 36 21.731 -0.497 -5.585 222 HD3 LYS 36 2HD LYS 36 20.558 0.800 -5.343 223 HE2 LYS 36 1HE LYS 36 22.664 1.694 -6.162 224 HE3 LYS 36 2HE LYS 36 22.349 2.257 -4.521 225 HZ1 LYS 36 3HZ LYS 36 23.853 -0.177 -4.578 226 HZ2 LYS 36 1HZ LYS 36 24.184 1.276 -3.778 227 HZ3 LYS 36 2HZ LYS 36 24.641 1.077 -5.394 228 H ILE 37 H ILE 37 16.741 -0.777 -3.484 229 HA ILE 37 HA ILE 37 17.493 -2.872 -1.554 230 HB ILE 37 HB ILE 37 15.041 -3.140 -1.090 231 HG12 ILE 37 1HG1 ILE 37 14.918 -0.517 -2.590 232 HG13 ILE 37 2HG1 ILE 37 14.110 -2.021 -3.018 233 HG21 ILE 37 1HG2 ILE 37 16.827 -1.702 0.207 234 HG22 ILE 37 2HG2 ILE 37 15.783 -0.373 -0.291 235 HG23 ILE 37 3HG2 ILE 37 15.128 -1.692 0.679 236 HD11 ILE 37 3HD1 ILE 37 12.444 -1.701 -1.537 237 HD12 ILE 37 1HD1 ILE 37 13.491 -0.912 -0.358 238 HD13 ILE 37 2HD1 ILE 37 12.898 -0.011 -1.753 239 H ILE 38 H ILE 38 16.767 -4.988 -2.007 240 HA ILE 38 HA ILE 38 15.884 -5.406 -4.788 241 HB ILE 38 HB ILE 38 17.141 -7.646 -4.552 242 HG12 ILE 38 1HG1 ILE 38 18.789 -6.071 -2.581 243 HG13 ILE 38 2HG1 ILE 38 17.529 -7.182 -2.053 244 HG21 ILE 38 1HG2 ILE 38 19.188 -5.551 -4.661 245 HG22 ILE 38 2HG2 ILE 38 18.716 -6.744 -5.870 246 HG23 ILE 38 3HG2 ILE 38 17.783 -5.259 -5.686 247 HD11 ILE 38 3HD1 ILE 38 18.836 -8.945 -2.365 248 HD12 ILE 38 1HD1 ILE 38 19.321 -8.401 -3.970 249 HD13 ILE 38 2HD1 ILE 38 20.166 -7.802 -2.543 250 H SER 39 H SER 39 14.055 -5.161 -2.720 251 HA SER 39 HA SER 39 12.711 -7.693 -2.903 252 HB2 SER 39 1HB SER 39 13.745 -8.458 -1.001 253 HB3 SER 39 2HB SER 39 14.022 -6.835 -0.370 254 HG SER 39 HG SER 39 11.805 -6.738 0.155 255 H TYR 40 H TYR 40 10.550 -7.428 -2.861 256 HA TYR 40 HA TYR 40 9.412 -5.030 -1.643 257 HB2 TYR 40 1HB TYR 40 9.116 -5.776 -4.554 258 HB3 TYR 40 2HB TYR 40 8.034 -4.657 -3.732 259 HD1 TYR 40 1HD TYR 40 9.185 -2.636 -2.540 260 HD2 TYR 40 2HD TYR 40 11.016 -4.956 -5.601 261 HE1 TYR 40 1HE TYR 40 10.738 -0.786 -3.005 262 HE2 TYR 40 2HE TYR 40 12.574 -3.113 -6.074 263 HH TYR 40 HH TYR 40 12.929 -0.870 -5.738 264 H LEU 41 H LEU 41 7.630 -5.510 -0.545 265 HA LEU 41 HA LEU 41 5.918 -7.705 -1.437 266 HB2 LEU 41 1HB LEU 41 7.459 -8.699 0.167 267 HB3 LEU 41 2HB LEU 41 7.042 -7.461 1.351 268 HG LEU 41 HG LEU 41 4.718 -8.359 1.373 269 HD11 LEU 41 1HD1 LEU 41 4.544 -9.427 -0.732 270 HD12 LEU 41 2HD1 LEU 41 4.467 -10.701 0.485 271 HD13 LEU 41 3HD1 LEU 41 5.958 -10.433 -0.418 272 HD21 LEU 41 3HD2 LEU 41 7.051 -9.379 2.572 273 HD22 LEU 41 1HD2 LEU 41 6.055 -10.768 2.136 274 HD23 LEU 41 2HD2 LEU 41 5.390 -9.493 3.157 275 H TRP 42 H TRP 42 3.767 -7.540 -0.785 276 HA TRP 42 HA TRP 42 3.020 -5.190 0.798 277 HB2 TRP 42 1HB TRP 42 2.205 -5.781 -2.027 278 HB3 TRP 42 2HB TRP 42 1.099 -4.922 -0.958 279 HD1 TRP 42 HD TRP 42 4.300 -4.468 -2.939 280 HE1 TRP 42 1HE TRP 42 4.988 -1.989 -2.872 281 HE3 TRP 42 3HE TRP 42 0.979 -2.798 0.571 282 HZ2 TRP 42 2HZ TRP 42 4.225 0.363 -1.511 283 HZ3 TRP 42 3HZ TRP 42 1.024 -0.420 1.199 284 HH2 TRP 42 HH TRP 42 2.614 1.127 0.179 285 H GLU 43 H GLU 43 1.644 -5.751 2.344 286 HA GLU 43 HA GLU 43 -0.411 -7.746 1.823 287 HB2 GLU 43 1HB GLU 43 1.579 -8.014 4.083 288 HB3 GLU 43 2HB GLU 43 0.129 -8.991 3.896 289 HG2 GLU 43 1HG GLU 43 2.170 -8.880 1.717 290 HG3 GLU 43 2HG GLU 43 2.403 -9.928 3.115 291 H LYS 44 H LYS 44 -2.230 -7.529 3.101 292 HA LYS 44 HA LYS 44 -2.496 -4.977 4.438 293 HB2 LYS 44 1HB LYS 44 -4.290 -5.686 2.978 294 HB3 LYS 44 2HB LYS 44 -4.482 -7.185 3.877 295 HG2 LYS 44 1HG LYS 44 -5.351 -6.041 5.766 296 HG3 LYS 44 2HG LYS 44 -4.916 -4.469 5.091 297 HD2 LYS 44 1HD LYS 44 -7.239 -4.700 4.740 298 HD3 LYS 44 2HD LYS 44 -6.485 -5.014 3.175 299 HE2 LYS 44 1HE LYS 44 -8.324 -6.601 3.832 300 HE3 LYS 44 2HE LYS 44 -6.790 -7.354 3.399 301 HZ1 LYS 44 3HZ LYS 44 -6.431 -8.052 5.506 302 HZ2 LYS 44 1HZ LYS 44 -8.121 -8.005 5.573 303 HZ3 LYS 44 2HZ LYS 44 -7.214 -6.731 6.216 304 H THR 45 H THR 45 -1.840 -4.799 6.476 305 HA THR 45 HA THR 45 -1.636 -7.027 8.252 306 HB THR 45 HB THR 45 -1.347 -4.984 9.946 307 HG1 THR 45 1HG THR 45 -0.397 -3.754 7.605 308 HG21 THR 45 3HG2 THR 45 0.398 -6.583 9.411 309 HG22 THR 45 1HG2 THR 45 1.050 -4.946 9.346 310 HG23 THR 45 2HG2 THR 45 0.670 -5.803 7.853 311 H GLN 46 H GLN 46 -3.815 -4.238 8.013 312 HA GLN 46 HA GLN 46 -5.715 -5.687 9.726 313 HB2 GLN 46 1HB GLN 46 -4.649 -2.932 10.042 314 HB3 GLN 46 2HB GLN 46 -6.362 -3.167 10.363 315 HG2 GLN 46 1HG GLN 46 -5.924 -4.709 12.096 316 HG3 GLN 46 2HG GLN 46 -4.227 -4.847 11.640 317 HE21 GLN 46 1HE2 GLN 46 -3.581 -4.305 13.736 318 HE22 GLN 46 2HE2 GLN 46 -3.663 -2.682 14.322 319 H GLY 47 H GLY 47 -7.962 -4.596 9.568 320 HA2 GLY 47 1HA GLY 47 -9.433 -3.276 8.128 321 HA3 GLY 47 2HA GLY 47 -8.428 -3.766 6.772 322 HA PRO 48 HA PRO 48 -12.164 -6.626 7.424 323 HB2 PRO 48 1HB PRO 48 -13.629 -5.820 5.285 324 HB3 PRO 48 2HB PRO 48 -13.795 -5.099 6.891 325 HG2 PRO 48 1HG PRO 48 -12.270 -4.103 4.515 326 HG3 PRO 48 2HG PRO 48 -13.299 -3.200 5.643 327 HD2 PRO 48 1HD PRO 48 -10.596 -3.198 5.816 328 HD3 PRO 48 2HD PRO 48 -11.644 -3.067 7.242 329 H ASP 49 H ASP 49 -11.240 -8.490 6.779 330 HA ASP 49 HA ASP 49 -9.671 -8.967 4.570 331 HB2 ASP 49 1HB ASP 49 -10.261 -11.353 4.838 332 HB3 ASP 49 2HB ASP 49 -9.893 -10.582 6.379 333 H GLY 50 H GLY 50 -10.026 -9.821 2.501 334 HA2 GLY 50 1HA GLY 50 -11.940 -10.763 1.064 335 HA3 GLY 50 2HA GLY 50 -12.709 -9.229 1.441 336 H VAL 51 H VAL 51 -10.749 -7.407 1.167 337 HA VAL 51 HA VAL 51 -10.648 -6.796 -1.482 338 HB VAL 51 HB VAL 51 -8.976 -5.206 -1.030 339 HG11 VAL 51 1HG1 VAL 51 -10.206 -5.651 1.680 340 HG12 VAL 51 2HG1 VAL 51 -9.724 -4.123 0.939 341 HG13 VAL 51 3HG1 VAL 51 -11.109 -5.014 0.306 342 HG21 VAL 51 3HG2 VAL 51 -8.060 -7.134 1.074 343 HG22 VAL 51 1HG2 VAL 51 -7.147 -6.418 -0.254 344 HG23 VAL 51 2HG2 VAL 51 -7.597 -5.434 1.138 345 H GLN 52 H GLN 52 -8.899 -6.810 -3.055 346 HA GLN 52 HA GLN 52 -7.202 -9.208 -2.824 347 HB2 GLN 52 1HB GLN 52 -8.827 -8.171 -5.118 348 HB3 GLN 52 2HB GLN 52 -7.383 -9.126 -5.430 349 HG2 GLN 52 1HG GLN 52 -9.415 -10.167 -3.522 350 HG3 GLN 52 2HG GLN 52 -9.736 -10.252 -5.254 351 HE21 GLN 52 1HE2 GLN 52 -9.455 -12.313 -5.772 352 HE22 GLN 52 2HE2 GLN 52 -8.051 -13.256 -5.417 353 H LEU 53 H LEU 53 -5.077 -8.974 -3.205 354 HA LEU 53 HA LEU 53 -4.149 -6.318 -4.065 355 HB2 LEU 53 1HB LEU 53 -3.150 -8.304 -2.107 356 HB3 LEU 53 2HB LEU 53 -1.944 -7.383 -3.003 357 HG LEU 53 HG LEU 53 -4.132 -5.892 -1.642 358 HD11 LEU 53 1HD1 LEU 53 -1.690 -6.707 -0.113 359 HD12 LEU 53 2HD1 LEU 53 -3.154 -7.688 -0.079 360 HD13 LEU 53 3HD1 LEU 53 -3.200 -6.017 0.482 361 HD21 LEU 53 3HD2 LEU 53 -1.249 -5.428 -2.340 362 HD22 LEU 53 1HD2 LEU 53 -2.120 -4.381 -1.220 363 HD23 LEU 53 2HD2 LEU 53 -2.674 -4.544 -2.887 364 H GLU 54 H GLU 54 -3.088 -6.135 -5.928 365 HA GLU 54 HA GLU 54 -2.120 -8.601 -7.217 366 HB2 GLU 54 1HB GLU 54 -3.364 -6.109 -8.335 367 HB3 GLU 54 2HB GLU 54 -2.328 -7.112 -9.340 368 HG2 GLU 54 1HG GLU 54 -3.810 -8.859 -9.372 369 HG3 GLU 54 2HG GLU 54 -4.566 -8.388 -7.850 370 H ASN 55 H ASN 55 -0.077 -8.672 -8.051 371 HA ASN 55 HA ASN 55 2.121 -8.154 -8.318 372 HB2 ASN 55 1HB ASN 55 0.748 -5.556 -8.792 373 HB3 ASN 55 2HB ASN 55 2.491 -5.514 -8.546 374 HD21 ASN 55 1HD2 ASN 55 0.160 -5.684 -10.819 375 HD22 ASN 55 2HD2 ASN 55 1.041 -6.447 -12.095 376 H ALA 56 H ALA 56 1.095 -8.446 -5.678 377 HA ALA 56 HA ALA 56 1.973 -6.458 -3.899 378 HB1 ALA 56 3HB ALA 56 1.685 -9.426 -3.452 379 HB2 ALA 56 1HB ALA 56 1.872 -8.215 -2.183 380 HB3 ALA 56 2HB ALA 56 0.438 -8.203 -3.210 381 H ASN 57 H ASN 57 3.711 -8.761 -5.750 382 HA ASN 57 HA ASN 57 6.064 -8.690 -4.048 383 HB2 ASN 57 1HB ASN 57 5.197 -10.690 -5.497 384 HB3 ASN 57 2HB ASN 57 6.035 -9.864 -6.808 385 HD21 ASN 57 1HD2 ASN 57 6.488 -11.131 -3.545 386 HD22 ASN 57 2HD2 ASN 57 8.150 -11.554 -3.749 387 H SER 58 H SER 58 4.978 -6.254 -5.402 388 HA SER 58 HA SER 58 7.503 -5.413 -6.632 389 HB2 SER 58 1HB SER 58 5.597 -5.992 -8.324 390 HB3 SER 58 2HB SER 58 4.910 -4.454 -7.803 391 HG SER 58 HG SER 58 6.252 -4.142 -9.593 392 H SER 59 H SER 59 7.711 -3.032 -6.740 393 HA SER 59 HA SER 59 7.137 -1.861 -4.241 394 HB2 SER 59 1HB SER 59 7.927 -0.409 -6.775 395 HB3 SER 59 2HB SER 59 8.169 0.138 -5.116 396 HG SER 59 HG SER 59 10.080 -0.749 -5.904 397 H VAL 60 H VAL 60 5.191 -2.286 -6.943 398 HA VAL 60 HA VAL 60 3.324 -0.220 -5.980 399 HB VAL 60 HB VAL 60 3.718 -1.024 -8.866 400 HG11 VAL 60 1HG1 VAL 60 1.640 -0.263 -9.120 401 HG12 VAL 60 2HG1 VAL 60 1.584 0.345 -7.464 402 HG13 VAL 60 3HG1 VAL 60 2.276 1.339 -8.746 403 HG21 VAL 60 3HG2 VAL 60 5.340 0.622 -7.418 404 HG22 VAL 60 1HG2 VAL 60 5.100 0.719 -9.162 405 HG23 VAL 60 2HG2 VAL 60 4.173 1.764 -8.085 406 H ALA 61 H ALA 61 1.692 -1.256 -5.041 407 HA ALA 61 HA ALA 61 0.720 -3.757 -6.255 408 HB1 ALA 61 3HB ALA 61 -0.356 -3.299 -3.637 409 HB2 ALA 61 1HB ALA 61 0.647 -4.629 -4.216 410 HB3 ALA 61 2HB ALA 61 1.401 -3.158 -3.599 411 H THR 62 H THR 62 -1.613 -4.137 -6.164 412 HA THR 62 HA THR 62 -3.188 -1.649 -6.218 413 HB THR 62 HB THR 62 -3.449 -3.944 -8.171 414 HG1 THR 62 1HG THR 62 -2.723 -1.264 -8.756 415 HG21 THR 62 3HG2 THR 62 -5.518 -2.530 -7.393 416 HG22 THR 62 1HG2 THR 62 -5.278 -2.892 -9.101 417 HG23 THR 62 2HG2 THR 62 -4.827 -1.311 -8.463 418 H VAL 63 H VAL 63 -4.713 -1.725 -4.716 419 HA VAL 63 HA VAL 63 -5.743 -4.331 -3.846 420 HB VAL 63 HB VAL 63 -6.016 -1.622 -2.536 421 HG11 VAL 63 1HG1 VAL 63 -7.703 -3.721 -2.228 422 HG12 VAL 63 2HG1 VAL 63 -6.503 -4.066 -0.980 423 HG13 VAL 63 3HG1 VAL 63 -7.362 -2.525 -0.977 424 HG21 VAL 63 3HG2 VAL 63 -4.437 -3.899 -1.420 425 HG22 VAL 63 1HG2 VAL 63 -3.723 -2.858 -2.651 426 HG23 VAL 63 2HG2 VAL 63 -4.273 -2.169 -1.124 427 H THR 64 H THR 64 -7.561 -4.982 -4.774 428 HA THR 64 HA THR 64 -9.538 -2.959 -5.596 429 HB THR 64 HB THR 64 -10.352 -4.471 -7.250 430 HG1 THR 64 1HG THR 64 -10.293 -6.500 -6.597 431 HG21 THR 64 3HG2 THR 64 -8.074 -5.146 -8.389 432 HG22 THR 64 1HG2 THR 64 -7.390 -4.150 -7.106 433 HG23 THR 64 2HG2 THR 64 -8.544 -3.453 -8.243 434 H GLY 65 H GLY 65 -11.765 -3.360 -5.216 435 HA2 GLY 65 1HA GLY 65 -13.598 -4.373 -4.187 436 HA3 GLY 65 2HA GLY 65 -12.522 -5.599 -3.533 437 H LEU 66 H LEU 66 -12.314 -2.074 -3.230 438 HA LEU 66 HA LEU 66 -12.138 -2.380 -0.338 439 HB2 LEU 66 1HB LEU 66 -11.669 -0.055 -2.189 440 HB3 LEU 66 2HB LEU 66 -11.616 0.088 -0.433 441 HG LEU 66 HG LEU 66 -9.847 -1.854 -1.883 442 HD11 LEU 66 1HD1 LEU 66 -8.103 -0.151 -1.922 443 HD12 LEU 66 2HD1 LEU 66 -9.249 1.048 -1.325 444 HD13 LEU 66 3HD1 LEU 66 -9.479 0.325 -2.917 445 HD21 LEU 66 3HD2 LEU 66 -10.293 -1.101 0.827 446 HD22 LEU 66 1HD2 LEU 66 -8.658 -0.625 0.368 447 HD23 LEU 66 2HD2 LEU 66 -9.173 -2.301 0.181 448 H GLN 67 H GLN 67 -13.283 -0.755 1.037 449 HA GLN 67 HA GLN 67 -15.634 0.522 0.072 450 HB2 GLN 67 1HB GLN 67 -17.278 -0.873 1.291 451 HB3 GLN 67 2HB GLN 67 -16.506 -1.732 -0.036 452 HG2 GLN 67 1HG GLN 67 -16.393 -3.333 1.565 453 HG3 GLN 67 2HG GLN 67 -14.867 -2.507 1.877 454 HE21 GLN 67 1HE2 GLN 67 -14.495 -2.234 3.944 455 HE22 GLN 67 2HE2 GLN 67 -15.675 -1.924 5.167 456 H VAL 68 H VAL 68 -16.971 1.394 1.905 457 HA VAL 68 HA VAL 68 -15.678 3.010 3.580 458 HB VAL 68 HB VAL 68 -18.116 1.471 4.481 459 HG11 VAL 68 1HG1 VAL 68 -17.294 4.286 5.163 460 HG12 VAL 68 2HG1 VAL 68 -18.591 3.331 5.883 461 HG13 VAL 68 3HG1 VAL 68 -16.907 2.890 6.168 462 HG21 VAL 68 3HG2 VAL 68 -19.247 3.604 3.507 463 HG22 VAL 68 1HG2 VAL 68 -17.776 3.719 2.541 464 HG23 VAL 68 2HG2 VAL 68 -18.796 2.285 2.426 465 H GLY 69 H GLY 69 -14.150 2.793 5.069 466 HA2 GLY 69 1HA GLY 69 -14.122 1.493 7.399 467 HA3 GLY 69 2HA GLY 69 -13.685 0.196 6.297 468 H THR 70 H THR 70 -11.781 0.348 7.874 469 HA THR 70 HA THR 70 -9.793 2.227 6.771 470 HB THR 70 HB THR 70 -8.638 1.652 9.096 471 HG1 THR 70 1HG THR 70 -11.368 1.662 9.858 472 HG21 THR 70 3HG2 THR 70 -9.988 3.828 8.025 473 HG22 THR 70 1HG2 THR 70 -8.973 3.832 9.466 474 HG23 THR 70 2HG2 THR 70 -10.716 3.611 9.616 475 H TYR 71 H TYR 71 -8.238 1.277 5.646 476 HA TYR 71 HA TYR 71 -7.587 -1.535 6.241 477 HB2 TYR 71 1HB TYR 71 -7.340 -0.045 3.619 478 HB3 TYR 71 2HB TYR 71 -6.868 -1.720 3.886 479 HD1 TYR 71 1HD TYR 71 -9.793 0.572 3.940 480 HD2 TYR 71 2HD TYR 71 -8.435 -3.450 3.661 481 HE1 TYR 71 1HE TYR 71 -12.075 -0.153 3.376 482 HE2 TYR 71 2HE TYR 71 -10.713 -4.186 3.095 483 HH TYR 71 HH TYR 71 -12.766 -3.447 2.395 484 H VAL 72 H VAL 72 -5.539 -2.062 6.728 485 HA VAL 72 HA VAL 72 -3.494 0.051 6.501 486 HB VAL 72 HB VAL 72 -3.527 -2.110 8.604 487 HG11 VAL 72 1HG1 VAL 72 -2.116 0.452 8.993 488 HG12 VAL 72 2HG1 VAL 72 -1.636 -1.189 9.431 489 HG13 VAL 72 3HG1 VAL 72 -1.446 -0.627 7.770 490 HG21 VAL 72 3HG2 VAL 72 -4.779 -0.858 9.999 491 HG22 VAL 72 1HG2 VAL 72 -4.108 0.661 9.405 492 HG23 VAL 72 2HG2 VAL 72 -5.388 -0.151 8.503 493 H PHE 73 H PHE 73 -2.114 -0.457 4.936 494 HA PHE 73 HA PHE 73 -1.388 -3.283 4.554 495 HB2 PHE 73 1HB PHE 73 -1.100 -0.995 2.596 496 HB3 PHE 73 2HB PHE 73 -0.772 -2.694 2.272 497 HD1 PHE 73 2HD PHE 73 -3.418 -0.227 2.952 498 HD2 PHE 73 1HD PHE 73 -2.520 -4.210 1.751 499 HE1 PHE 73 2HE PHE 73 -5.753 -0.535 2.240 500 HE2 PHE 73 1HE PHE 73 -4.853 -4.524 1.036 501 HZ PHE 73 HZ PHE 73 -6.473 -2.686 1.281 502 H THR 74 H THR 74 0.567 -3.886 5.183 503 HA THR 74 HA THR 74 2.589 -1.828 5.701 504 HB THR 74 HB THR 74 2.529 -4.719 6.588 505 HG1 THR 74 1HG THR 74 2.265 -3.459 8.693 506 HG21 THR 74 3HG2 THR 74 4.215 -3.101 8.191 507 HG22 THR 74 1HG2 THR 74 4.649 -2.812 6.507 508 HG23 THR 74 2HG2 THR 74 4.666 -4.453 7.153 509 H LEU 75 H LEU 75 4.099 -1.511 4.215 510 HA LEU 75 HA LEU 75 4.667 -3.598 2.256 511 HB2 LEU 75 1HB LEU 75 4.392 -1.645 1.104 512 HB3 LEU 75 2HB LEU 75 5.060 -0.658 2.403 513 HG LEU 75 HG LEU 75 7.326 -1.469 1.774 514 HD11 LEU 75 1HD1 LEU 75 7.118 -3.471 0.674 515 HD12 LEU 75 2HD1 LEU 75 7.332 -2.368 -0.684 516 HD13 LEU 75 3HD1 LEU 75 5.719 -2.939 -0.260 517 HD21 LEU 75 3HD2 LEU 75 7.033 0.608 0.904 518 HD22 LEU 75 1HD2 LEU 75 5.572 0.158 0.025 519 HD23 LEU 75 2HD2 LEU 75 7.155 -0.295 -0.607 520 H THR 76 H THR 76 6.168 -5.024 2.837 521 HA THR 76 HA THR 76 8.425 -4.164 4.490 522 HB THR 76 HB THR 76 7.710 -6.977 3.649 523 HG1 THR 76 1HG THR 76 6.960 -6.993 5.953 524 HG21 THR 76 3HG2 THR 76 10.076 -6.282 4.512 525 HG22 THR 76 1HG2 THR 76 9.297 -7.726 5.156 526 HG23 THR 76 2HG2 THR 76 9.276 -6.226 6.083 527 H VAL 77 H VAL 77 10.409 -3.888 3.694 528 HA VAL 77 HA VAL 77 11.110 -5.140 1.132 529 HB VAL 77 HB VAL 77 12.156 -3.104 0.322 530 HG11 VAL 77 1HG1 VAL 77 9.330 -3.422 0.749 531 HG12 VAL 77 2HG1 VAL 77 9.757 -1.711 0.693 532 HG13 VAL 77 3HG1 VAL 77 10.185 -2.772 -0.650 533 HG21 VAL 77 3HG2 VAL 77 12.207 -2.319 2.946 534 HG22 VAL 77 1HG2 VAL 77 12.562 -1.285 1.562 535 HG23 VAL 77 2HG2 VAL 77 10.946 -1.290 2.267 536 H LYS 78 H LYS 78 13.342 -5.481 0.802 537 HA LYS 78 HA LYS 78 14.992 -5.200 3.228 538 HB2 LYS 78 1HB LYS 78 14.524 -7.529 1.443 539 HB3 LYS 78 2HB LYS 78 16.159 -7.304 2.050 540 HG2 LYS 78 1HG LYS 78 15.306 -7.316 4.343 541 HG3 LYS 78 2HG LYS 78 13.670 -7.561 3.726 542 HD2 LYS 78 1HD LYS 78 15.791 -9.457 2.860 543 HD3 LYS 78 2HD LYS 78 15.188 -9.587 4.513 544 HE2 LYS 78 1HE LYS 78 13.707 -10.969 3.471 545 HE3 LYS 78 2HE LYS 78 12.850 -9.440 3.281 546 HZ1 LYS 78 3HZ LYS 78 13.699 -9.237 1.060 547 HZ2 LYS 78 1HZ LYS 78 12.960 -10.750 1.220 548 HZ3 LYS 78 2HZ LYS 78 14.646 -10.627 1.236 549 H ASP 79 H ASP 79 17.071 -4.498 2.989 550 HA ASP 79 HA ASP 79 17.779 -3.490 0.327 551 HB2 ASP 79 1HB ASP 79 19.271 -1.958 1.447 552 HB3 ASP 79 2HB ASP 79 17.698 -1.886 2.236 553 H GLU 80 H GLU 80 20.283 -3.371 0.028 554 HA GLU 80 HA GLU 80 21.259 -5.885 -0.459 555 HB2 GLU 80 1HB GLU 80 22.203 -3.737 -1.327 556 HB3 GLU 80 2HB GLU 80 22.966 -3.491 0.237 557 HG2 GLU 80 1HG GLU 80 24.509 -4.397 -1.438 558 HG3 GLU 80 2HG GLU 80 24.307 -5.468 -0.053 559 H ARG 81 H ARG 81 21.352 -4.075 2.521 560 HA ARG 81 HA ARG 81 23.193 -5.920 3.790 561 HB2 ARG 81 1HB ARG 81 21.835 -3.382 4.569 562 HB3 ARG 81 2HB ARG 81 22.369 -4.462 5.850 563 HG2 ARG 81 1HG ARG 81 24.251 -3.657 3.673 564 HG3 ARG 81 2HG ARG 81 23.939 -2.581 5.036 565 HD2 ARG 81 1HD ARG 81 25.785 -3.779 5.754 566 HD3 ARG 81 2HD ARG 81 24.447 -4.666 6.483 567 HE ARG 81 HE ARG 81 25.276 -5.660 3.907 568 HH11 ARG 81 2HH1 ARG 81 25.739 -5.828 7.353 569 HH12 ARG 81 1HH1 ARG 81 26.415 -7.423 7.316 570 HH21 ARG 81 2HH2 ARG 81 26.164 -7.760 3.844 571 HH22 ARG 81 1HH2 ARG 81 26.657 -8.521 5.319 572 H ASN 82 H ASN 82 20.543 -6.820 2.762 573 HA ASN 82 HA ASN 82 18.689 -8.001 3.422 574 HB2 ASN 82 1HB ASN 82 20.977 -9.050 5.056 575 HB3 ASN 82 2HB ASN 82 19.365 -9.728 5.263 576 HD21 ASN 82 1HD2 ASN 82 19.709 -11.702 4.407 577 HD22 ASN 82 2HD2 ASN 82 20.136 -11.984 2.756 578 H LEU 83 H LEU 83 19.014 -5.416 4.756 579 HA LEU 83 HA LEU 83 18.228 -5.766 7.497 580 HB2 LEU 83 1HB LEU 83 18.559 -3.444 5.654 581 HB3 LEU 83 2HB LEU 83 17.663 -3.233 7.156 582 HG LEU 83 HG LEU 83 20.497 -4.251 7.033 583 HD11 LEU 83 1HD1 LEU 83 19.403 -1.494 7.028 584 HD12 LEU 83 2HD1 LEU 83 20.879 -2.131 6.304 585 HD13 LEU 83 3HD1 LEU 83 20.810 -1.823 8.039 586 HD21 LEU 83 3HD2 LEU 83 20.434 -4.364 9.274 587 HD22 LEU 83 1HD2 LEU 83 18.686 -4.439 9.051 588 HD23 LEU 83 2HD2 LEU 83 19.462 -2.899 9.422 589 H GLN 84 H GLN 84 16.226 -5.814 8.345 590 HA GLN 84 HA GLN 84 13.988 -5.995 6.502 591 HB2 GLN 84 1HB GLN 84 14.454 -7.597 8.459 592 HB3 GLN 84 2HB GLN 84 13.842 -6.312 9.491 593 HG2 GLN 84 1HG GLN 84 11.823 -6.402 7.788 594 HG3 GLN 84 2HG GLN 84 12.408 -8.050 7.566 595 HE21 GLN 84 1HE2 GLN 84 11.076 -9.322 8.646 596 HE22 GLN 84 2HE2 GLN 84 10.572 -9.101 10.284 597 H SER 85 H SER 85 12.866 -4.249 5.982 598 HA SER 85 HA SER 85 12.165 -2.324 8.065 599 HB2 SER 85 1HB SER 85 13.616 -1.659 5.507 600 HB3 SER 85 2HB SER 85 12.649 -0.459 6.365 601 HG SER 85 HG SER 85 14.496 -1.914 7.857 602 H GLN 86 H GLN 86 10.067 -1.879 7.991 603 HA GLN 86 HA GLN 86 8.672 -1.915 5.418 604 HB2 GLN 86 1HB GLN 86 6.971 -3.373 6.123 605 HB3 GLN 86 2HB GLN 86 8.459 -4.144 6.657 606 HG2 GLN 86 1HG GLN 86 8.070 -3.104 8.908 607 HG3 GLN 86 2HG GLN 86 6.479 -2.621 8.324 608 HE21 GLN 86 1HE2 GLN 86 8.376 -5.587 7.914 609 HE22 GLN 86 2HE2 GLN 86 7.174 -6.650 8.554 610 H SER 87 H SER 87 6.481 -0.942 5.570 611 HA SER 87 HA SER 87 6.031 0.800 7.855 612 HB2 SER 87 1HB SER 87 7.546 1.973 6.122 613 HB3 SER 87 2HB SER 87 6.100 2.049 5.116 614 HG SER 87 HG SER 87 6.400 3.924 6.431 615 H SER 88 H SER 88 3.909 1.279 8.176 616 HA SER 88 HA SER 88 2.013 0.031 6.318 617 HB2 SER 88 1HB SER 88 1.388 1.018 9.100 618 HB3 SER 88 2HB SER 88 0.493 -0.153 8.132 619 HG SER 88 HG SER 88 1.639 -1.416 9.453 620 H VAL 89 H VAL 89 -0.010 1.121 5.861 621 HA VAL 89 HA VAL 89 0.106 4.048 6.112 622 HB VAL 89 HB VAL 89 0.898 3.463 3.862 623 HG11 VAL 89 1HG1 VAL 89 -1.059 1.474 4.005 624 HG12 VAL 89 2HG1 VAL 89 -1.603 2.582 2.743 625 HG13 VAL 89 3HG1 VAL 89 -0.005 1.841 2.641 626 HG21 VAL 89 3HG2 VAL 89 -0.038 5.481 3.557 627 HG22 VAL 89 1HG2 VAL 89 -1.301 4.586 2.711 628 HG23 VAL 89 2HG2 VAL 89 -1.518 5.032 4.404 629 H ASN 90 H ASN 90 -1.831 5.059 6.423 630 HA ASN 90 HA ASN 90 -4.077 3.344 7.089 631 HB2 ASN 90 1HB ASN 90 -3.399 6.226 7.570 632 HB3 ASN 90 2HB ASN 90 -5.063 5.677 7.748 633 HD21 ASN 90 1HD2 ASN 90 -2.856 6.599 9.630 634 HD22 ASN 90 2HD2 ASN 90 -2.860 5.406 10.880 635 H VAL 91 H VAL 91 -5.529 2.827 5.603 636 HA VAL 91 HA VAL 91 -6.080 4.745 3.435 637 HB VAL 91 HB VAL 91 -6.432 1.744 3.450 638 HG11 VAL 91 1HG1 VAL 91 -8.065 2.256 1.976 639 HG12 VAL 91 2HG1 VAL 91 -7.417 3.865 1.650 640 HG13 VAL 91 3HG1 VAL 91 -6.706 2.452 0.870 641 HG21 VAL 91 3HG2 VAL 91 -4.758 2.555 1.360 642 HG22 VAL 91 1HG2 VAL 91 -4.218 3.455 2.778 643 HG23 VAL 91 2HG2 VAL 91 -4.296 1.694 2.828 644 H ILE 92 H ILE 92 -7.813 5.899 4.053 645 HA ILE 92 HA ILE 92 -10.069 4.530 5.323 646 HB ILE 92 HB ILE 92 -9.527 7.477 4.946 647 HG12 ILE 92 1HG1 ILE 92 -9.738 6.134 7.603 648 HG13 ILE 92 2HG1 ILE 92 -8.256 5.917 6.677 649 HG21 ILE 92 1HG2 ILE 92 -11.785 7.566 5.057 650 HG22 ILE 92 2HG2 ILE 92 -11.918 5.989 5.833 651 HG23 ILE 92 3HG2 ILE 92 -11.473 7.405 6.785 652 HD11 ILE 92 3HD1 ILE 92 -9.250 8.682 6.971 653 HD12 ILE 92 1HD1 ILE 92 -8.607 7.898 8.414 654 HD13 ILE 92 2HD1 ILE 92 -7.601 8.057 6.974 655 H VAL 93 H VAL 93 -12.011 4.272 4.364 656 HA VAL 93 HA VAL 93 -12.323 5.351 1.637 657 HB VAL 93 HB VAL 93 -13.454 2.770 2.728 658 HG11 VAL 93 1HG1 VAL 93 -14.986 3.276 1.125 659 HG12 VAL 93 2HG1 VAL 93 -13.866 4.294 0.217 660 HG13 VAL 93 3HG1 VAL 93 -13.759 2.537 0.097 661 HG21 VAL 93 3HG2 VAL 93 -10.982 2.783 2.340 662 HG22 VAL 93 1HG2 VAL 93 -11.872 1.624 1.352 663 HG23 VAL 93 2HG2 VAL 93 -11.308 3.138 0.644 664 H LYS 94 H LYS 94 -14.085 6.531 1.210 665 HA LYS 94 HA LYS 94 -16.242 6.569 3.219 666 HB2 LYS 94 1HB LYS 94 -14.780 8.790 1.877 667 HB3 LYS 94 2HB LYS 94 -16.497 9.013 2.185 668 HG2 LYS 94 1HG LYS 94 -15.459 9.935 4.050 669 HG3 LYS 94 2HG LYS 94 -15.966 8.334 4.593 670 HD2 LYS 94 1HD LYS 94 -13.800 8.407 5.373 671 HD3 LYS 94 2HD LYS 94 -13.571 7.634 3.803 672 HE2 LYS 94 1HE LYS 94 -11.934 9.242 3.737 673 HE3 LYS 94 2HE LYS 94 -13.272 10.101 2.976 674 HZ1 LYS 94 3HZ LYS 94 -11.878 11.148 4.934 675 HZ2 LYS 94 1HZ LYS 94 -13.010 10.317 5.877 676 HZ3 LYS 94 2HZ LYS 94 -13.529 11.466 4.750 677 H GLU 95 H GLU 95 -18.334 7.428 2.320 678 HA GLU 95 HA GLU 95 -18.893 6.045 -0.171 679 HB2 GLU 95 1HB GLU 95 -20.532 7.173 2.054 680 HB3 GLU 95 2HB GLU 95 -21.291 6.962 0.482 681 HG2 GLU 95 1HG GLU 95 -20.214 4.554 0.701 682 HG3 GLU 95 2HG GLU 95 -20.333 4.935 2.417 683 H GLU 96 H GLU 96 -20.550 7.175 -1.653 684 HA GLU 96 HA GLU 96 -19.356 9.694 -2.465 685 HB2 GLU 96 1HB GLU 96 -19.802 7.904 -4.122 686 HB3 GLU 96 2HB GLU 96 -21.523 8.064 -3.802 687 HG2 GLU 96 1HG GLU 96 -21.319 9.336 -5.683 688 HG3 GLU 96 2HG GLU 96 -21.106 10.564 -4.438 689 H SER 97 H SER 97 -20.462 11.633 -2.716 690 HA SER 97 HA SER 97 -23.040 11.788 -1.293 691 HB2 SER 97 1HB SER 97 -20.839 12.925 -0.360 692 HB3 SER 97 2HB SER 97 -21.258 14.177 -1.529 693 HG SER 97 HG SER 97 -23.416 14.084 -0.494 694 H GLY 98 H GLY 98 -24.037 11.370 -3.390 695 HA2 GLY 98 1HA GLY 98 -25.296 12.169 -5.144 696 HA3 GLY 98 2HA GLY 98 -24.832 13.793 -4.659 697 HA PRO 99 HA PRO 99 -22.890 13.021 -8.764 698 HB2 PRO 99 1HB PRO 99 -23.369 15.523 -9.704 699 HB3 PRO 99 2HB PRO 99 -24.554 14.215 -9.805 700 HG2 PRO 99 1HG PRO 99 -24.368 16.453 -7.825 701 HG3 PRO 99 2HG PRO 99 -25.798 15.801 -8.645 702 HD2 PRO 99 1HD PRO 99 -25.158 15.151 -6.096 703 HD3 PRO 99 2HD PRO 99 -25.974 14.019 -7.194 704 H SER 100 H SER 100 -20.825 13.510 -9.316 705 HA SER 100 HA SER 100 -19.462 15.580 -7.719 706 HB2 SER 100 1HB SER 100 -17.438 14.224 -7.824 707 HB3 SER 100 2HB SER 100 -18.759 13.270 -7.151 708 HG SER 100 HG SER 100 -18.245 13.201 -9.914 709 H SER 101 H SER 101 -18.964 17.285 -8.914 710 HA SER 101 HA SER 101 -17.416 17.076 -11.286 711 HB2 SER 101 1HB SER 101 -19.926 16.605 -11.950 712 HB3 SER 101 2HB SER 101 -20.061 18.361 -11.846 713 HG SER 101 HG SER 101 -19.362 18.204 -13.841 714 H GLY 102 H GLY 102 -16.356 18.959 -11.710 715 HA2 GLY 102 1HA GLY 102 -16.750 21.111 -9.791 716 HA3 GLY 102 2HA GLY 102 -15.400 20.939 -10.903 Start of MODEL 8 1 H1 GLY 1 H GLY 1 11.753 3.195 29.613 2 HA2 GLY 1 1HA GLY 1 9.757 4.093 27.999 3 HA3 GLY 1 2HA GLY 1 11.246 4.990 28.253 4 H SER 2 H SER 2 9.351 3.216 26.037 5 HA SER 2 HA SER 2 11.422 3.597 23.980 6 HB2 SER 2 1HB SER 2 10.702 1.517 22.893 7 HB3 SER 2 2HB SER 2 11.255 1.202 24.538 8 HG SER 2 HG SER 2 9.238 0.781 25.158 9 H SER 3 H SER 3 10.724 4.279 21.974 10 HA SER 3 HA SER 3 7.851 4.859 21.702 11 HB2 SER 3 1HB SER 3 10.185 6.717 21.315 12 HB3 SER 3 2HB SER 3 8.667 6.984 20.458 13 HG SER 3 HG SER 3 8.620 6.550 23.228 14 H GLY 4 H GLY 4 6.970 4.398 19.762 15 HA2 GLY 4 1HA GLY 4 8.134 2.672 17.970 16 HA3 GLY 4 2HA GLY 4 6.798 3.739 17.564 17 H SER 5 H SER 5 9.641 2.802 16.452 18 HA SER 5 HA SER 5 10.619 5.450 15.678 19 HB2 SER 5 1HB SER 5 12.552 4.133 14.721 20 HB3 SER 5 2HB SER 5 12.354 3.996 16.468 21 HG SER 5 HG SER 5 12.054 2.087 14.492 22 H SER 6 H SER 6 11.571 5.405 13.319 23 HA SER 6 HA SER 6 9.400 4.467 11.562 24 HB2 SER 6 1HB SER 6 9.654 6.939 11.727 25 HB3 SER 6 2HB SER 6 11.295 6.784 11.100 26 HG SER 6 HG SER 6 9.020 5.816 9.720 27 H GLY 7 H GLY 7 10.243 2.461 11.040 28 HA2 GLY 7 1HA GLY 7 12.878 1.853 10.393 29 HA3 GLY 7 2HA GLY 7 11.476 0.974 9.800 30 H GLN 8 H GLN 8 13.769 1.258 8.272 31 HA GLN 8 HA GLN 8 13.558 3.451 6.456 32 HB2 GLN 8 1HB GLN 8 15.066 0.839 6.307 33 HB3 GLN 8 2HB GLN 8 15.182 2.099 5.086 34 HG2 GLN 8 1HG GLN 8 15.904 3.654 6.937 35 HG3 GLN 8 2HG GLN 8 16.046 2.223 7.957 36 HE21 GLN 8 1HE2 GLN 8 17.373 3.998 5.303 37 HE22 GLN 8 2HE2 GLN 8 18.838 3.093 5.156 38 H ALA 9 H ALA 9 11.212 3.148 6.063 39 HA ALA 9 HA ALA 9 10.827 1.760 3.566 40 HB1 ALA 9 3HB ALA 9 10.216 0.347 5.872 41 HB2 ALA 9 1HB ALA 9 8.660 0.965 5.314 42 HB3 ALA 9 2HB ALA 9 9.660 -0.013 4.237 43 H ASP 10 H ASP 10 9.527 2.932 2.311 44 HA ASP 10 HA ASP 10 7.700 4.849 3.607 45 HB2 ASP 10 1HB ASP 10 8.903 5.298 0.887 46 HB3 ASP 10 2HB ASP 10 8.188 6.476 1.984 47 H ALA 11 H ALA 11 5.724 3.993 3.419 48 HA ALA 11 HA ALA 11 4.962 2.456 1.088 49 HB1 ALA 11 3HB ALA 11 4.276 2.058 3.563 50 HB2 ALA 11 1HB ALA 11 3.041 3.272 3.227 51 HB3 ALA 11 2HB ALA 11 3.099 1.787 2.277 52 H GLY 12 H GLY 12 4.130 5.571 2.560 53 HA2 GLY 12 1HA GLY 12 3.807 7.277 0.659 54 HA3 GLY 12 2HA GLY 12 2.496 6.203 0.193 55 HA PRO 13 HA PRO 13 1.141 9.485 3.342 56 HB2 PRO 13 1HB PRO 13 -0.362 11.001 1.665 57 HB3 PRO 13 2HB PRO 13 1.354 11.306 1.957 58 HG2 PRO 13 1HG PRO 13 0.045 9.885 -0.330 59 HG3 PRO 13 2HG PRO 13 1.374 11.059 -0.355 60 HD2 PRO 13 1HD PRO 13 1.784 8.390 -0.555 61 HD3 PRO 13 2HD PRO 13 2.948 9.479 0.226 62 H ASP 14 H ASP 14 -0.947 9.616 4.226 63 HA ASP 14 HA ASP 14 -2.551 7.453 4.243 64 HB2 ASP 14 1HB ASP 14 -4.150 8.712 5.361 65 HB3 ASP 14 2HB ASP 14 -2.703 9.692 5.579 66 H LYS 15 H LYS 15 -4.475 6.773 3.244 67 HA LYS 15 HA LYS 15 -4.883 7.883 0.545 68 HB2 LYS 15 1HB LYS 15 -5.316 5.060 1.538 69 HB3 LYS 15 2HB LYS 15 -5.701 5.626 -0.082 70 HG2 LYS 15 1HG LYS 15 -2.928 6.001 0.920 71 HG3 LYS 15 2HG LYS 15 -3.445 4.381 0.445 72 HD2 LYS 15 1HD LYS 15 -3.760 4.989 -1.765 73 HD3 LYS 15 2HD LYS 15 -3.964 6.698 -1.372 74 HE2 LYS 15 1HE LYS 15 -1.351 5.275 -0.964 75 HE3 LYS 15 2HE LYS 15 -1.787 5.991 -2.515 76 HZ1 LYS 15 3HZ LYS 15 -2.241 7.835 -0.417 77 HZ2 LYS 15 1HZ LYS 15 -1.227 7.982 -1.764 78 HZ3 LYS 15 2HZ LYS 15 -0.650 7.266 -0.344 79 H GLU 16 H GLU 16 -6.838 8.646 0.029 80 HA GLU 16 HA GLU 16 -9.109 7.957 1.771 81 HB2 GLU 16 1HB GLU 16 -7.994 10.340 1.983 82 HB3 GLU 16 2HB GLU 16 -8.936 10.672 0.537 83 HG2 GLU 16 1HG GLU 16 -10.966 9.933 1.767 84 HG3 GLU 16 2HG GLU 16 -9.978 9.800 3.220 85 H LEU 17 H LEU 17 -10.217 6.620 0.449 86 HA LEU 17 HA LEU 17 -10.675 7.426 -2.329 87 HB2 LEU 17 1HB LEU 17 -11.422 4.837 -0.985 88 HB3 LEU 17 2HB LEU 17 -11.424 5.178 -2.714 89 HG LEU 17 HG LEU 17 -8.890 5.266 -1.106 90 HD11 LEU 17 1HD1 LEU 17 -9.389 2.833 -2.650 91 HD12 LEU 17 2HD1 LEU 17 -10.412 3.010 -1.225 92 HD13 LEU 17 3HD1 LEU 17 -8.657 3.042 -1.059 93 HD21 LEU 17 3HD2 LEU 17 -9.231 6.176 -3.524 94 HD22 LEU 17 1HD2 LEU 17 -9.180 4.471 -3.971 95 HD23 LEU 17 2HD2 LEU 17 -7.808 5.207 -3.142 96 H THR 18 H THR 18 -12.804 7.389 -3.229 97 HA THR 18 HA THR 18 -14.990 7.593 -1.275 98 HB THR 18 HB THR 18 -14.526 9.550 -3.534 99 HG1 THR 18 1HG THR 18 -14.411 9.926 -0.708 100 HG21 THR 18 3HG2 THR 18 -16.767 9.152 -1.582 101 HG22 THR 18 1HG2 THR 18 -16.843 9.417 -3.323 102 HG23 THR 18 2HG2 THR 18 -16.425 10.750 -2.246 103 H LEU 19 H LEU 19 -16.236 5.906 -1.804 104 HA LEU 19 HA LEU 19 -16.448 4.447 -4.045 105 HB2 LEU 19 1HB LEU 19 -18.573 5.318 -2.123 106 HB3 LEU 19 2HB LEU 19 -18.965 4.266 -3.482 107 HG LEU 19 HG LEU 19 -16.900 3.596 -1.390 108 HD11 LEU 19 1HD1 LEU 19 -19.828 2.920 -1.531 109 HD12 LEU 19 2HD1 LEU 19 -18.959 3.724 -0.224 110 HD13 LEU 19 3HD1 LEU 19 -18.669 2.017 -0.556 111 HD21 LEU 19 3HD2 LEU 19 -16.781 2.512 -3.664 112 HD22 LEU 19 1HD2 LEU 19 -18.348 1.784 -3.308 113 HD23 LEU 19 2HD2 LEU 19 -16.952 1.408 -2.298 114 HA PRO 20 HA PRO 20 -18.321 3.379 -5.141 115 HB2 PRO 20 1HB PRO 20 -18.107 2.752 -7.774 116 HB3 PRO 20 2HB PRO 20 -19.627 3.258 -7.027 117 HG2 PRO 20 1HG PRO 20 -17.680 4.864 -8.637 118 HG3 PRO 20 2HG PRO 20 -19.452 4.852 -8.712 119 HD2 PRO 20 1HD PRO 20 -18.061 6.779 -7.415 120 HD3 PRO 20 2HD PRO 20 -19.664 6.233 -6.879 121 H VAL 21 H VAL 21 -15.837 5.413 -6.030 122 HA VAL 21 HA VAL 21 -13.897 3.754 -7.141 123 HB VAL 21 HB VAL 21 -13.498 6.050 -5.218 124 HG11 VAL 21 1HG1 VAL 21 -11.392 5.561 -7.154 125 HG12 VAL 21 2HG1 VAL 21 -11.289 5.810 -5.410 126 HG13 VAL 21 3HG1 VAL 21 -11.620 4.202 -6.054 127 HG21 VAL 21 3HG2 VAL 21 -14.660 6.889 -7.083 128 HG22 VAL 21 1HG2 VAL 21 -12.963 7.255 -7.397 129 HG23 VAL 21 2HG2 VAL 21 -13.737 5.894 -8.210 130 H ASP 22 H ASP 22 -14.066 1.705 -6.153 131 HA ASP 22 HA ASP 22 -13.101 1.557 -3.377 132 HB2 ASP 22 1HB ASP 22 -14.018 -0.762 -3.402 133 HB3 ASP 22 2HB ASP 22 -15.244 0.477 -3.658 134 H SER 23 H SER 23 -11.329 2.042 -5.568 135 HA SER 23 HA SER 23 -9.550 -0.232 -5.198 136 HB2 SER 23 1HB SER 23 -9.099 -0.534 -7.553 137 HB3 SER 23 2HB SER 23 -10.837 -0.688 -7.297 138 HG SER 23 HG SER 23 -9.773 0.819 -9.041 139 H THR 24 H THR 24 -7.481 0.380 -4.978 140 HA THR 24 HA THR 24 -6.658 3.016 -5.966 141 HB THR 24 HB THR 24 -7.307 3.278 -3.584 142 HG1 THR 24 1HG THR 24 -5.705 4.652 -4.305 143 HG21 THR 24 3HG2 THR 24 -5.740 2.269 -1.888 144 HG22 THR 24 1HG2 THR 24 -5.142 1.219 -3.172 145 HG23 THR 24 2HG2 THR 24 -6.831 1.127 -2.672 146 H THR 25 H THR 25 -4.191 3.281 -5.524 147 HA THR 25 HA THR 25 -2.834 0.710 -5.988 148 HB THR 25 HB THR 25 -1.316 1.900 -7.591 149 HG1 THR 25 1HG THR 25 -2.443 3.854 -8.516 150 HG21 THR 25 3HG2 THR 25 -4.227 1.473 -8.138 151 HG22 THR 25 1HG2 THR 25 -2.838 0.530 -8.676 152 HG23 THR 25 2HG2 THR 25 -3.176 2.099 -9.407 153 H LEU 26 H LEU 26 -1.184 0.369 -4.655 154 HA LEU 26 HA LEU 26 -0.152 2.626 -3.097 155 HB2 LEU 26 1HB LEU 26 0.017 -0.351 -2.672 156 HB3 LEU 26 2HB LEU 26 0.819 0.838 -1.648 157 HG LEU 26 HG LEU 26 -2.131 1.036 -2.017 158 HD11 LEU 26 1HD1 LEU 26 -2.641 -0.628 -0.469 159 HD12 LEU 26 2HD1 LEU 26 -0.966 -0.785 0.059 160 HD13 LEU 26 3HD1 LEU 26 -1.451 -1.388 -1.525 161 HD21 LEU 26 3HD2 LEU 26 -0.208 2.355 -0.509 162 HD22 LEU 26 1HD2 LEU 26 -1.031 1.304 0.644 163 HD23 LEU 26 2HD2 LEU 26 -1.959 2.458 -0.315 164 H ASP 27 H ASP 27 1.339 3.532 -4.482 165 HA ASP 27 HA ASP 27 3.476 1.814 -5.514 166 HB2 ASP 27 1HB ASP 27 4.099 3.719 -6.911 167 HB3 ASP 27 2HB ASP 27 2.387 3.350 -7.104 168 H GLY 28 H GLY 28 5.244 1.592 -4.321 169 HA2 GLY 28 1HA GLY 28 5.914 3.682 -2.370 170 HA3 GLY 28 2HA GLY 28 6.505 2.027 -2.347 171 H SER 29 H SER 29 6.484 3.942 -5.264 172 HA SER 29 HA SER 29 9.097 3.441 -5.974 173 HB2 SER 29 1HB SER 29 7.545 4.350 -7.582 174 HB3 SER 29 2HB SER 29 7.369 5.833 -6.644 175 HG SER 29 HG SER 29 8.837 5.955 -8.477 176 H LYS 30 H LYS 30 7.825 6.169 -4.110 177 HA LYS 30 HA LYS 30 10.400 7.407 -3.816 178 HB2 LYS 30 1HB LYS 30 7.705 7.906 -2.561 179 HB3 LYS 30 2HB LYS 30 9.138 8.816 -2.100 180 HG2 LYS 30 1HG LYS 30 8.096 10.166 -3.678 181 HG3 LYS 30 2HG LYS 30 9.368 9.353 -4.593 182 HD2 LYS 30 1HD LYS 30 7.654 7.662 -5.294 183 HD3 LYS 30 2HD LYS 30 6.428 8.687 -4.545 184 HE2 LYS 30 1HE LYS 30 6.412 9.269 -6.822 185 HE3 LYS 30 2HE LYS 30 7.312 10.557 -6.023 186 HZ1 LYS 30 3HZ LYS 30 9.352 9.647 -6.776 187 HZ2 LYS 30 1HZ LYS 30 8.324 9.709 -8.119 188 HZ3 LYS 30 2HZ LYS 30 8.607 8.236 -7.338 189 H SER 31 H SER 31 10.874 4.917 -3.051 190 HA SER 31 HA SER 31 10.578 4.681 -0.166 191 HB2 SER 31 1HB SER 31 11.546 2.459 -0.438 192 HB3 SER 31 2HB SER 31 10.252 2.694 -1.613 193 HG SER 31 HG SER 31 12.208 3.465 -2.961 194 H SER 32 H SER 32 12.546 3.982 1.094 195 HA SER 32 HA SER 32 14.365 5.913 1.443 196 HB2 SER 32 1HB SER 32 14.537 2.960 1.835 197 HB3 SER 32 2HB SER 32 16.009 3.909 2.040 198 HG SER 32 HG SER 32 15.066 3.912 4.009 199 H ASP 33 H ASP 33 16.040 6.801 0.415 200 HA ASP 33 HA ASP 33 16.856 5.644 -2.141 201 HB2 ASP 33 1HB ASP 33 16.209 7.975 -2.211 202 HB3 ASP 33 2HB ASP 33 17.344 8.368 -0.922 203 H ASP 34 H ASP 34 18.265 6.807 0.895 204 HA ASP 34 HA ASP 34 20.921 6.617 0.519 205 HB2 ASP 34 1HB ASP 34 19.765 5.211 2.906 206 HB3 ASP 34 2HB ASP 34 21.180 6.255 2.811 207 H GLN 35 H GLN 35 18.948 3.792 1.452 208 HA GLN 35 HA GLN 35 21.086 2.046 0.469 209 HB2 GLN 35 1HB GLN 35 18.866 1.736 2.430 210 HB3 GLN 35 2HB GLN 35 19.405 0.301 1.569 211 HG2 GLN 35 1HG GLN 35 20.657 0.283 3.520 212 HG3 GLN 35 2HG GLN 35 21.758 0.962 2.322 213 HE21 GLN 35 1HE2 GLN 35 21.023 1.226 5.389 214 HE22 GLN 35 2HE2 GLN 35 21.228 2.921 5.652 215 H LYS 36 H LYS 36 20.734 0.460 -1.071 216 HA LYS 36 HA LYS 36 18.693 1.048 -2.999 217 HB2 LYS 36 1HB LYS 36 21.048 0.280 -3.525 218 HB3 LYS 36 2HB LYS 36 20.562 -1.322 -2.988 219 HG2 LYS 36 1HG LYS 36 19.022 -1.558 -4.756 220 HG3 LYS 36 2HG LYS 36 19.116 0.156 -5.166 221 HD2 LYS 36 1HD LYS 36 20.466 -0.742 -6.791 222 HD3 LYS 36 2HD LYS 36 21.657 -0.400 -5.534 223 HE2 LYS 36 1HE LYS 36 21.253 -2.788 -4.738 224 HE3 LYS 36 2HE LYS 36 20.420 -3.038 -6.272 225 HZ1 LYS 36 3HZ LYS 36 22.645 -3.727 -6.568 226 HZ2 LYS 36 1HZ LYS 36 23.266 -2.322 -5.858 227 HZ3 LYS 36 2HZ LYS 36 22.507 -2.243 -7.367 228 H ILE 37 H ILE 37 16.902 -0.136 -3.538 229 HA ILE 37 HA ILE 37 16.167 -2.279 -1.655 230 HB ILE 37 HB ILE 37 14.221 -0.669 -3.294 231 HG12 ILE 37 1HG1 ILE 37 15.753 0.636 -1.610 232 HG13 ILE 37 2HG1 ILE 37 14.019 0.938 -1.636 233 HG21 ILE 37 1HG2 ILE 37 13.241 -2.662 -2.503 234 HG22 ILE 37 2HG2 ILE 37 13.992 -2.494 -0.917 235 HG23 ILE 37 3HG2 ILE 37 12.700 -1.396 -1.401 236 HD11 ILE 37 3HD1 ILE 37 15.161 -1.094 0.227 237 HD12 ILE 37 1HD1 ILE 37 15.227 0.623 0.622 238 HD13 ILE 37 2HD1 ILE 37 13.669 -0.163 0.360 239 H ILE 38 H ILE 38 16.066 -4.261 -2.459 240 HA ILE 38 HA ILE 38 15.524 -4.587 -5.339 241 HB ILE 38 HB ILE 38 16.873 -6.690 -5.209 242 HG12 ILE 38 1HG1 ILE 38 17.988 -5.567 -2.644 243 HG13 ILE 38 2HG1 ILE 38 16.687 -6.753 -2.649 244 HG21 ILE 38 1HG2 ILE 38 18.783 -5.600 -5.801 245 HG22 ILE 38 2HG2 ILE 38 17.665 -4.238 -5.821 246 HG23 ILE 38 3HG2 ILE 38 18.714 -4.498 -4.427 247 HD11 ILE 38 3HD1 ILE 38 19.550 -7.080 -3.200 248 HD12 ILE 38 1HD1 ILE 38 18.383 -8.211 -2.516 249 HD13 ILE 38 2HD1 ILE 38 18.463 -7.974 -4.262 250 H SER 39 H SER 39 13.777 -4.644 -2.867 251 HA SER 39 HA SER 39 12.324 -7.047 -3.600 252 HB2 SER 39 1HB SER 39 13.813 -7.820 -1.792 253 HB3 SER 39 2HB SER 39 13.183 -6.555 -0.737 254 HG SER 39 HG SER 39 11.836 -8.813 -1.779 255 H TYR 40 H TYR 40 10.129 -6.941 -3.151 256 HA TYR 40 HA TYR 40 9.084 -4.686 -1.648 257 HB2 TYR 40 1HB TYR 40 8.694 -5.020 -4.616 258 HB3 TYR 40 2HB TYR 40 7.548 -4.124 -3.626 259 HD1 TYR 40 1HD TYR 40 8.567 -2.220 -2.154 260 HD2 TYR 40 2HD TYR 40 10.505 -3.908 -5.545 261 HE1 TYR 40 1HE TYR 40 9.966 -0.206 -2.350 262 HE2 TYR 40 2HE TYR 40 11.909 -1.900 -5.750 263 HH TYR 40 HH TYR 40 11.977 0.373 -5.102 264 H LEU 41 H LEU 41 7.370 -5.315 -0.515 265 HA LEU 41 HA LEU 41 5.650 -7.442 -1.567 266 HB2 LEU 41 1HB LEU 41 7.253 -8.509 -0.070 267 HB3 LEU 41 2HB LEU 41 6.820 -7.379 1.211 268 HG LEU 41 HG LEU 41 4.426 -8.400 0.879 269 HD11 LEU 41 1HD1 LEU 41 4.312 -10.579 0.067 270 HD12 LEU 41 2HD1 LEU 41 6.062 -10.790 0.110 271 HD13 LEU 41 3HD1 LEU 41 5.330 -9.748 -1.109 272 HD21 LEU 41 3HD2 LEU 41 4.821 -9.291 2.884 273 HD22 LEU 41 1HD2 LEU 41 6.490 -8.757 2.680 274 HD23 LEU 41 2HD2 LEU 41 6.030 -10.402 2.239 275 H TRP 42 H TRP 42 3.517 -7.184 -1.141 276 HA TRP 42 HA TRP 42 2.755 -4.995 0.676 277 HB2 TRP 42 1HB TRP 42 1.778 -5.592 -2.106 278 HB3 TRP 42 2HB TRP 42 0.783 -4.689 -0.967 279 HD1 TRP 42 HD TRP 42 3.706 -4.311 -3.307 280 HE1 TRP 42 1HE TRP 42 4.515 -1.867 -3.285 281 HE3 TRP 42 3HE TRP 42 1.016 -2.600 0.690 282 HZ2 TRP 42 2HZ TRP 42 4.072 0.475 -1.774 283 HZ3 TRP 42 3HZ TRP 42 1.266 -0.246 1.359 284 HH2 TRP 42 HH TRP 42 2.763 1.258 0.152 285 H GLU 43 H GLU 43 1.499 -5.660 2.279 286 HA GLU 43 HA GLU 43 -0.517 -7.709 1.794 287 HB2 GLU 43 1HB GLU 43 1.629 -7.932 3.907 288 HB3 GLU 43 2HB GLU 43 0.160 -8.896 3.906 289 HG2 GLU 43 1HG GLU 43 0.820 -9.723 1.633 290 HG3 GLU 43 2HG GLU 43 2.371 -8.920 1.872 291 H LYS 44 H LYS 44 -2.285 -7.603 3.168 292 HA LYS 44 HA LYS 44 -2.608 -5.072 4.538 293 HB2 LYS 44 1HB LYS 44 -4.436 -5.800 3.156 294 HB3 LYS 44 2HB LYS 44 -4.509 -7.352 3.982 295 HG2 LYS 44 1HG LYS 44 -5.267 -6.278 6.010 296 HG3 LYS 44 2HG LYS 44 -5.104 -4.690 5.258 297 HD2 LYS 44 1HD LYS 44 -7.406 -5.257 5.153 298 HD3 LYS 44 2HD LYS 44 -6.761 -5.468 3.524 299 HE2 LYS 44 1HE LYS 44 -8.056 -7.376 3.852 300 HE3 LYS 44 2HE LYS 44 -6.417 -7.924 4.203 301 HZ1 LYS 44 3HZ LYS 44 -7.037 -7.325 6.616 302 HZ2 LYS 44 1HZ LYS 44 -7.631 -8.765 5.956 303 HZ3 LYS 44 2HZ LYS 44 -8.636 -7.410 6.070 304 H THR 45 H THR 45 -1.909 -4.881 6.559 305 HA THR 45 HA THR 45 -1.554 -7.131 8.295 306 HB THR 45 HB THR 45 -1.069 -5.298 10.023 307 HG1 THR 45 1HG THR 45 -0.871 -3.600 7.772 308 HG21 THR 45 3HG2 THR 45 1.126 -5.188 9.333 309 HG22 THR 45 1HG2 THR 45 0.696 -4.963 7.639 310 HG23 THR 45 2HG2 THR 45 0.552 -6.557 8.381 311 H GLN 46 H GLN 46 -3.731 -4.315 8.304 312 HA GLN 46 HA GLN 46 -5.551 -5.851 10.035 313 HB2 GLN 46 1HB GLN 46 -4.533 -3.073 10.325 314 HB3 GLN 46 2HB GLN 46 -6.218 -3.359 10.738 315 HG2 GLN 46 1HG GLN 46 -5.657 -4.868 12.445 316 HG3 GLN 46 2HG GLN 46 -3.998 -5.026 11.870 317 HE21 GLN 46 1HE2 GLN 46 -3.033 -4.429 13.764 318 HE22 GLN 46 2HE2 GLN 46 -3.119 -2.831 14.413 319 H GLY 47 H GLY 47 -7.779 -4.483 10.053 320 HA2 GLY 47 1HA GLY 47 -9.406 -3.361 8.733 321 HA3 GLY 47 2HA GLY 47 -8.409 -3.645 7.314 322 HA PRO 48 HA PRO 48 -11.922 -6.802 7.725 323 HB2 PRO 48 1HB PRO 48 -13.428 -5.935 5.640 324 HB3 PRO 48 2HB PRO 48 -13.646 -5.346 7.292 325 HG2 PRO 48 1HG PRO 48 -12.179 -4.082 5.009 326 HG3 PRO 48 2HG PRO 48 -13.268 -3.333 6.191 327 HD2 PRO 48 1HD PRO 48 -10.572 -3.171 6.386 328 HD3 PRO 48 2HD PRO 48 -11.632 -3.213 7.810 329 H ASP 49 H ASP 49 -11.610 -8.678 6.698 330 HA ASP 49 HA ASP 49 -9.759 -8.868 4.534 331 HB2 ASP 49 1HB ASP 49 -10.284 -10.576 6.439 332 HB3 ASP 49 2HB ASP 49 -11.560 -11.123 5.355 333 H GLY 50 H GLY 50 -10.323 -10.236 2.562 334 HA2 GLY 50 1HA GLY 50 -12.208 -10.917 1.101 335 HA3 GLY 50 2HA GLY 50 -12.960 -9.388 1.530 336 H VAL 51 H VAL 51 -10.956 -7.587 1.253 337 HA VAL 51 HA VAL 51 -10.941 -6.893 -1.376 338 HB VAL 51 HB VAL 51 -8.948 -5.523 -0.946 339 HG11 VAL 51 1HG1 VAL 51 -11.299 -5.589 0.813 340 HG12 VAL 51 2HG1 VAL 51 -9.936 -4.648 1.423 341 HG13 VAL 51 3HG1 VAL 51 -10.637 -4.269 -0.152 342 HG21 VAL 51 3HG2 VAL 51 -7.536 -6.931 0.310 343 HG22 VAL 51 1HG2 VAL 51 -7.996 -5.630 1.409 344 HG23 VAL 51 2HG2 VAL 51 -8.771 -7.209 1.538 345 H GLN 52 H GLN 52 -9.059 -6.777 -2.907 346 HA GLN 52 HA GLN 52 -7.478 -9.259 -2.854 347 HB2 GLN 52 1HB GLN 52 -8.911 -8.051 -5.224 348 HB3 GLN 52 2HB GLN 52 -7.760 -9.376 -5.331 349 HG2 GLN 52 1HG GLN 52 -9.284 -10.610 -3.706 350 HG3 GLN 52 2HG GLN 52 -10.475 -9.361 -4.064 351 HE21 GLN 52 1HE2 GLN 52 -11.724 -11.214 -4.826 352 HE22 GLN 52 2HE2 GLN 52 -11.489 -11.766 -6.446 353 H LEU 53 H LEU 53 -5.365 -8.936 -3.040 354 HA LEU 53 HA LEU 53 -4.431 -6.317 -3.987 355 HB2 LEU 53 1HB LEU 53 -3.441 -8.282 -2.003 356 HB3 LEU 53 2HB LEU 53 -2.232 -7.368 -2.901 357 HG LEU 53 HG LEU 53 -4.430 -5.868 -1.568 358 HD11 LEU 53 1HD1 LEU 53 -3.501 -7.625 0.035 359 HD12 LEU 53 2HD1 LEU 53 -3.466 -5.942 0.561 360 HD13 LEU 53 3HD1 LEU 53 -1.994 -6.710 -0.033 361 HD21 LEU 53 3HD2 LEU 53 -1.591 -5.413 -2.377 362 HD22 LEU 53 1HD2 LEU 53 -2.317 -4.417 -1.116 363 HD23 LEU 53 2HD2 LEU 53 -3.028 -4.453 -2.730 364 H GLU 54 H GLU 54 -3.360 -6.154 -5.846 365 HA GLU 54 HA GLU 54 -2.361 -8.630 -7.091 366 HB2 GLU 54 1HB GLU 54 -3.805 -6.274 -8.192 367 HB3 GLU 54 2HB GLU 54 -2.579 -7.017 -9.210 368 HG2 GLU 54 1HG GLU 54 -5.078 -8.257 -8.109 369 HG3 GLU 54 2HG GLU 54 -4.623 -8.019 -9.795 370 H ASN 55 H ASN 55 -0.400 -8.538 -8.262 371 HA ASN 55 HA ASN 55 1.801 -8.004 -8.493 372 HB2 ASN 55 1HB ASN 55 0.352 -5.429 -8.849 373 HB3 ASN 55 2HB ASN 55 2.101 -5.350 -8.660 374 HD21 ASN 55 1HD2 ASN 55 -0.492 -6.073 -10.740 375 HD22 ASN 55 2HD2 ASN 55 0.438 -6.564 -12.111 376 H ALA 56 H ALA 56 0.814 -8.340 -5.813 377 HA ALA 56 HA ALA 56 1.676 -6.417 -3.996 378 HB1 ALA 56 3HB ALA 56 1.527 -9.413 -3.738 379 HB2 ALA 56 1HB ALA 56 1.869 -8.329 -2.390 380 HB3 ALA 56 2HB ALA 56 0.325 -8.225 -3.236 381 H ASN 57 H ASN 57 3.482 -8.852 -5.751 382 HA ASN 57 HA ASN 57 5.905 -8.390 -4.236 383 HB2 ASN 57 1HB ASN 57 5.334 -10.061 -6.691 384 HB3 ASN 57 2HB ASN 57 6.912 -9.966 -5.913 385 HD21 ASN 57 1HD2 ASN 57 7.341 -11.399 -4.396 386 HD22 ASN 57 2HD2 ASN 57 6.180 -12.365 -3.558 387 H SER 58 H SER 58 4.588 -6.211 -5.806 388 HA SER 58 HA SER 58 6.968 -5.414 -7.337 389 HB2 SER 58 1HB SER 58 4.114 -5.446 -8.233 390 HB3 SER 58 2HB SER 58 5.170 -4.159 -8.814 391 HG SER 58 HG SER 58 6.312 -5.574 -9.936 392 H SER 59 H SER 59 7.601 -3.321 -7.098 393 HA SER 59 HA SER 59 7.189 -1.886 -4.869 394 HB2 SER 59 1HB SER 59 8.019 0.062 -5.996 395 HB3 SER 59 2HB SER 59 8.797 -1.337 -6.735 396 HG SER 59 HG SER 59 7.978 -0.709 -8.551 397 H VAL 60 H VAL 60 5.006 -2.079 -7.573 398 HA VAL 60 HA VAL 60 3.182 -0.203 -6.215 399 HB VAL 60 HB VAL 60 3.234 -0.936 -9.146 400 HG11 VAL 60 1HG1 VAL 60 1.613 0.946 -9.345 401 HG12 VAL 60 2HG1 VAL 60 0.991 -0.447 -8.459 402 HG13 VAL 60 3HG1 VAL 60 1.522 0.991 -7.585 403 HG21 VAL 60 3HG2 VAL 60 3.949 1.700 -7.874 404 HG22 VAL 60 1HG2 VAL 60 5.137 0.483 -8.340 405 HG23 VAL 60 2HG2 VAL 60 4.120 1.237 -9.567 406 H ALA 61 H ALA 61 1.320 -0.982 -5.462 407 HA ALA 61 HA ALA 61 0.425 -3.623 -6.418 408 HB1 ALA 61 3HB ALA 61 0.306 -2.504 -3.622 409 HB2 ALA 61 1HB ALA 61 -0.487 -3.993 -4.137 410 HB3 ALA 61 2HB ALA 61 1.271 -3.868 -4.186 411 H THR 62 H THR 62 -1.919 -4.018 -6.116 412 HA THR 62 HA THR 62 -3.514 -1.549 -6.240 413 HB THR 62 HB THR 62 -3.800 -3.908 -8.111 414 HG1 THR 62 1HG THR 62 -3.348 -2.095 -9.653 415 HG21 THR 62 3HG2 THR 62 -5.752 -2.111 -7.228 416 HG22 THR 62 1HG2 THR 62 -5.850 -3.190 -8.619 417 HG23 THR 62 2HG2 THR 62 -5.277 -1.535 -8.825 418 H VAL 63 H VAL 63 -5.022 -1.585 -4.719 419 HA VAL 63 HA VAL 63 -5.991 -4.178 -3.734 420 HB VAL 63 HB VAL 63 -6.125 -1.448 -2.446 421 HG11 VAL 63 1HG1 VAL 63 -6.903 -4.100 -1.247 422 HG12 VAL 63 2HG1 VAL 63 -7.099 -2.496 -0.538 423 HG13 VAL 63 3HG1 VAL 63 -8.057 -2.963 -1.944 424 HG21 VAL 63 3HG2 VAL 63 -4.568 -3.861 -1.544 425 HG22 VAL 63 1HG2 VAL 63 -3.882 -2.598 -2.566 426 HG23 VAL 63 2HG2 VAL 63 -4.454 -2.206 -0.945 427 H THR 64 H THR 64 -7.885 -4.825 -4.493 428 HA THR 64 HA THR 64 -9.877 -2.789 -5.249 429 HB THR 64 HB THR 64 -10.840 -4.408 -6.786 430 HG1 THR 64 1HG THR 64 -9.902 -6.228 -5.356 431 HG21 THR 64 3HG2 THR 64 -8.878 -2.970 -7.472 432 HG22 THR 64 1HG2 THR 64 -9.135 -4.417 -8.445 433 HG23 THR 64 2HG2 THR 64 -7.858 -4.387 -7.229 434 H GLY 65 H GLY 65 -12.184 -3.593 -5.079 435 HA2 GLY 65 1HA GLY 65 -13.928 -4.417 -3.829 436 HA3 GLY 65 2HA GLY 65 -12.841 -5.685 -3.281 437 H LEU 66 H LEU 66 -12.734 -2.155 -2.859 438 HA LEU 66 HA LEU 66 -12.391 -2.590 0.018 439 HB2 LEU 66 1HB LEU 66 -11.849 -0.226 -1.762 440 HB3 LEU 66 2HB LEU 66 -11.749 -0.149 -0.004 441 HG LEU 66 HG LEU 66 -10.129 -2.183 -1.474 442 HD11 LEU 66 1HD1 LEU 66 -8.648 0.239 -0.983 443 HD12 LEU 66 2HD1 LEU 66 -9.976 0.526 -2.106 444 HD13 LEU 66 3HD1 LEU 66 -8.780 -0.721 -2.457 445 HD21 LEU 66 3HD2 LEU 66 -10.453 -1.676 1.147 446 HD22 LEU 66 1HD2 LEU 66 -9.095 -0.608 0.795 447 HD23 LEU 66 2HD2 LEU 66 -8.968 -2.334 0.456 448 H GLN 67 H GLN 67 -13.712 -1.661 1.546 449 HA GLN 67 HA GLN 67 -16.050 -0.167 0.582 450 HB2 GLN 67 1HB GLN 67 -17.558 -1.464 1.908 451 HB3 GLN 67 2HB GLN 67 -16.611 -2.585 0.939 452 HG2 GLN 67 1HG GLN 67 -15.198 -3.073 2.858 453 HG3 GLN 67 2HG GLN 67 -16.112 -1.924 3.833 454 HE21 GLN 67 1HE2 GLN 67 -17.736 -2.694 4.981 455 HE22 GLN 67 2HE2 GLN 67 -18.516 -4.217 4.739 456 H VAL 68 H VAL 68 -17.213 0.957 2.358 457 HA VAL 68 HA VAL 68 -15.747 2.764 3.707 458 HB VAL 68 HB VAL 68 -18.276 1.499 4.773 459 HG11 VAL 68 1HG1 VAL 68 -17.725 4.321 5.342 460 HG12 VAL 68 2HG1 VAL 68 -18.364 3.054 6.391 461 HG13 VAL 68 3HG1 VAL 68 -16.625 3.188 6.127 462 HG21 VAL 68 3HG2 VAL 68 -18.566 2.340 2.515 463 HG22 VAL 68 1HG2 VAL 68 -19.402 3.386 3.663 464 HG23 VAL 68 2HG2 VAL 68 -17.857 3.888 2.977 465 H GLY 69 H GLY 69 -14.042 2.496 4.991 466 HA2 GLY 69 1HA GLY 69 -14.088 1.543 7.554 467 HA3 GLY 69 2HA GLY 69 -13.677 0.136 6.585 468 H THR 70 H THR 70 -11.663 0.113 7.759 469 HA THR 70 HA THR 70 -9.716 1.998 6.611 470 HB THR 70 HB THR 70 -8.474 1.475 8.909 471 HG1 THR 70 1HG THR 70 -9.776 0.831 10.453 472 HG21 THR 70 3HG2 THR 70 -9.476 3.588 9.810 473 HG22 THR 70 1HG2 THR 70 -10.618 3.552 8.467 474 HG23 THR 70 2HG2 THR 70 -8.890 3.710 8.151 475 H TYR 71 H TYR 71 -8.047 1.053 5.630 476 HA TYR 71 HA TYR 71 -7.501 -1.780 6.232 477 HB2 TYR 71 1HB TYR 71 -7.292 -0.365 3.566 478 HB3 TYR 71 2HB TYR 71 -6.818 -2.033 3.866 479 HD1 TYR 71 1HD TYR 71 -9.712 0.278 3.801 480 HD2 TYR 71 2HD TYR 71 -8.417 -3.775 3.842 481 HE1 TYR 71 1HE TYR 71 -12.007 -0.455 3.306 482 HE2 TYR 71 2HE TYR 71 -10.708 -4.519 3.346 483 HH TYR 71 HH TYR 71 -12.752 -3.685 2.409 484 H VAL 72 H VAL 72 -5.586 -2.078 7.134 485 HA VAL 72 HA VAL 72 -3.491 -0.063 6.757 486 HB VAL 72 HB VAL 72 -3.552 -2.342 8.738 487 HG11 VAL 72 1HG1 VAL 72 -1.828 -0.978 9.895 488 HG12 VAL 72 2HG1 VAL 72 -1.313 -1.572 8.315 489 HG13 VAL 72 3HG1 VAL 72 -1.811 0.109 8.507 490 HG21 VAL 72 3HG2 VAL 72 -3.944 0.431 9.661 491 HG22 VAL 72 1HG2 VAL 72 -5.292 -0.286 8.779 492 HG23 VAL 72 2HG2 VAL 72 -4.672 -1.070 10.232 493 H PHE 73 H PHE 73 -2.243 -0.479 5.045 494 HA PHE 73 HA PHE 73 -1.422 -3.258 4.543 495 HB2 PHE 73 1HB PHE 73 -1.267 -0.893 2.664 496 HB3 PHE 73 2HB PHE 73 -0.932 -2.574 2.264 497 HD1 PHE 73 1HD PHE 73 -2.771 -4.211 2.161 498 HD2 PHE 73 2HD PHE 73 -3.488 -0.057 2.749 499 HE1 PHE 73 1HE PHE 73 -5.129 -4.533 1.538 500 HE2 PHE 73 2HE PHE 73 -5.847 -0.373 2.128 501 HZ PHE 73 HZ PHE 73 -6.671 -2.613 1.522 502 H THR 74 H THR 74 0.588 -3.829 5.017 503 HA THR 74 HA THR 74 2.568 -1.721 5.526 504 HB THR 74 HB THR 74 2.505 -4.608 6.418 505 HG1 THR 74 1HG THR 74 2.319 -3.578 8.496 506 HG21 THR 74 3HG2 THR 74 4.460 -3.512 7.895 507 HG22 THR 74 1HG2 THR 74 4.666 -2.587 6.409 508 HG23 THR 74 2HG2 THR 74 4.761 -4.347 6.372 509 H LEU 75 H LEU 75 4.272 -1.466 4.232 510 HA LEU 75 HA LEU 75 4.717 -3.460 2.124 511 HB2 LEU 75 1HB LEU 75 4.352 -1.418 1.097 512 HB3 LEU 75 2HB LEU 75 5.217 -0.523 2.344 513 HG LEU 75 HG LEU 75 7.320 -1.695 1.408 514 HD11 LEU 75 1HD1 LEU 75 5.565 -3.061 -0.110 515 HD12 LEU 75 2HD1 LEU 75 7.245 -2.776 -0.565 516 HD13 LEU 75 3HD1 LEU 75 5.970 -1.741 -1.208 517 HD21 LEU 75 3HD2 LEU 75 7.151 0.630 1.173 518 HD22 LEU 75 1HD2 LEU 75 5.790 0.507 0.058 519 HD23 LEU 75 2HD2 LEU 75 7.407 0.036 -0.468 520 H THR 76 H THR 76 6.145 -4.927 2.852 521 HA THR 76 HA THR 76 8.406 -4.142 4.483 522 HB THR 76 HB THR 76 8.033 -6.889 3.326 523 HG1 THR 76 1HG THR 76 6.530 -7.346 4.867 524 HG21 THR 76 3HG2 THR 76 8.985 -7.509 5.564 525 HG22 THR 76 1HG2 THR 76 9.223 -5.789 5.871 526 HG23 THR 76 2HG2 THR 76 10.072 -6.573 4.539 527 H VAL 77 H VAL 77 10.182 -3.339 3.589 528 HA VAL 77 HA VAL 77 11.056 -4.415 0.987 529 HB VAL 77 HB VAL 77 12.201 -2.129 0.720 530 HG11 VAL 77 1HG1 VAL 77 10.179 -3.018 -0.521 531 HG12 VAL 77 2HG1 VAL 77 9.196 -2.073 0.599 532 HG13 VAL 77 3HG1 VAL 77 10.349 -1.264 -0.463 533 HG21 VAL 77 3HG2 VAL 77 11.241 -1.703 3.245 534 HG22 VAL 77 1HG2 VAL 77 11.759 -0.442 2.127 535 HG23 VAL 77 2HG2 VAL 77 10.051 -0.864 2.249 536 H LYS 78 H LYS 78 13.164 -4.995 0.780 537 HA LYS 78 HA LYS 78 14.869 -4.661 3.161 538 HB2 LYS 78 1HB LYS 78 14.371 -6.991 1.378 539 HB3 LYS 78 2HB LYS 78 16.001 -6.784 2.006 540 HG2 LYS 78 1HG LYS 78 15.187 -6.860 4.272 541 HG3 LYS 78 2HG LYS 78 13.517 -6.920 3.703 542 HD2 LYS 78 1HD LYS 78 15.431 -8.997 2.751 543 HD3 LYS 78 2HD LYS 78 14.803 -9.113 4.397 544 HE2 LYS 78 1HE LYS 78 12.499 -8.928 3.436 545 HE3 LYS 78 2HE LYS 78 13.221 -9.044 1.832 546 HZ1 LYS 78 3HZ LYS 78 14.140 -11.205 2.468 547 HZ2 LYS 78 1HZ LYS 78 12.451 -11.193 2.560 548 HZ3 LYS 78 2HZ LYS 78 13.375 -11.096 3.973 549 H ASP 79 H ASP 79 17.180 -4.542 2.765 550 HA ASP 79 HA ASP 79 17.792 -3.342 0.143 551 HB2 ASP 79 1HB ASP 79 19.106 -1.727 1.143 552 HB3 ASP 79 2HB ASP 79 17.854 -1.935 2.365 553 H GLU 80 H GLU 80 20.416 -3.266 0.033 554 HA GLU 80 HA GLU 80 21.223 -5.832 -0.624 555 HB2 GLU 80 1HB GLU 80 23.026 -3.545 0.188 556 HB3 GLU 80 2HB GLU 80 23.484 -4.940 -0.779 557 HG2 GLU 80 1HG GLU 80 22.355 -4.193 -2.642 558 HG3 GLU 80 2HG GLU 80 21.273 -3.166 -1.703 559 H ARG 81 H ARG 81 21.487 -4.113 2.420 560 HA ARG 81 HA ARG 81 23.100 -6.211 3.616 561 HB2 ARG 81 1HB ARG 81 22.150 -3.512 4.448 562 HB3 ARG 81 2HB ARG 81 22.528 -4.674 5.712 563 HG2 ARG 81 1HG ARG 81 24.505 -4.222 3.534 564 HG3 ARG 81 2HG ARG 81 24.345 -3.022 4.818 565 HD2 ARG 81 1HD ARG 81 25.125 -4.445 6.434 566 HD3 ARG 81 2HD ARG 81 24.572 -5.886 5.582 567 HE ARG 81 HE ARG 81 26.609 -4.707 4.076 568 HH11 ARG 81 2HH1 ARG 81 26.169 -6.315 7.132 569 HH12 ARG 81 1HH1 ARG 81 27.779 -6.952 7.177 570 HH21 ARG 81 2HH2 ARG 81 28.732 -5.539 4.124 571 HH22 ARG 81 1HH2 ARG 81 29.237 -6.509 5.466 572 H ASN 82 H ASN 82 20.400 -6.817 2.641 573 HA ASN 82 HA ASN 82 18.435 -7.792 3.298 574 HB2 ASN 82 1HB ASN 82 20.372 -9.406 3.930 575 HB3 ASN 82 2HB ASN 82 19.989 -8.959 5.590 576 HD21 ASN 82 1HD2 ASN 82 18.326 -9.960 2.619 577 HD22 ASN 82 2HD2 ASN 82 17.225 -11.039 3.398 578 H LEU 83 H LEU 83 19.057 -5.169 4.526 579 HA LEU 83 HA LEU 83 18.259 -5.147 7.234 580 HB2 LEU 83 1HB LEU 83 18.129 -3.005 5.120 581 HB3 LEU 83 2HB LEU 83 17.807 -2.731 6.831 582 HG LEU 83 HG LEU 83 20.441 -3.808 5.866 583 HD11 LEU 83 1HD1 LEU 83 19.527 -1.417 5.005 584 HD12 LEU 83 2HD1 LEU 83 21.226 -1.778 5.307 585 HD13 LEU 83 3HD1 LEU 83 20.268 -0.951 6.536 586 HD21 LEU 83 3HD2 LEU 83 20.056 -2.092 8.262 587 HD22 LEU 83 1HD2 LEU 83 21.199 -3.405 7.981 588 HD23 LEU 83 2HD2 LEU 83 19.511 -3.768 8.339 589 H GLN 84 H GLN 84 16.321 -5.344 8.146 590 HA GLN 84 HA GLN 84 13.985 -5.618 6.436 591 HB2 GLN 84 1HB GLN 84 14.658 -7.163 8.416 592 HB3 GLN 84 2HB GLN 84 13.957 -5.905 9.424 593 HG2 GLN 84 1HG GLN 84 11.925 -6.184 7.776 594 HG3 GLN 84 2HG GLN 84 12.640 -7.777 7.533 595 HE21 GLN 84 1HE2 GLN 84 10.161 -7.627 8.568 596 HE22 GLN 84 2HE2 GLN 84 10.173 -8.048 10.243 597 H SER 85 H SER 85 12.477 -4.106 6.176 598 HA SER 85 HA SER 85 11.857 -2.184 8.220 599 HB2 SER 85 1HB SER 85 13.297 -1.325 5.709 600 HB3 SER 85 2HB SER 85 12.321 -0.214 6.669 601 HG SER 85 HG SER 85 13.683 -0.826 8.475 602 H GLN 86 H GLN 86 9.750 -1.781 8.114 603 HA GLN 86 HA GLN 86 8.411 -1.820 5.505 604 HB2 GLN 86 1HB GLN 86 6.621 -3.202 6.310 605 HB3 GLN 86 2HB GLN 86 8.137 -4.039 6.619 606 HG2 GLN 86 1HG GLN 86 7.934 -2.878 8.961 607 HG3 GLN 86 2HG GLN 86 6.226 -2.803 8.532 608 HE21 GLN 86 1HE2 GLN 86 8.803 -5.209 8.111 609 HE22 GLN 86 2HE2 GLN 86 7.925 -6.522 8.811 610 H SER 87 H SER 87 6.358 -0.715 5.474 611 HA SER 87 HA SER 87 5.868 1.064 7.755 612 HB2 SER 87 1HB SER 87 7.238 2.340 6.172 613 HB3 SER 87 2HB SER 87 6.101 1.974 4.875 614 HG SER 87 HG SER 87 5.624 4.000 5.693 615 H SER 88 H SER 88 3.755 1.490 8.154 616 HA SER 88 HA SER 88 1.807 0.102 6.457 617 HB2 SER 88 1HB SER 88 0.283 0.430 8.458 618 HB3 SER 88 2HB SER 88 1.678 -0.614 8.732 619 HG SER 88 HG SER 88 1.125 1.183 10.309 620 H VAL 89 H VAL 89 -0.091 1.110 5.752 621 HA VAL 89 HA VAL 89 -0.115 4.050 5.945 622 HB VAL 89 HB VAL 89 0.669 3.510 3.734 623 HG11 VAL 89 1HG1 VAL 89 -0.008 1.763 2.517 624 HG12 VAL 89 2HG1 VAL 89 -0.823 1.215 3.983 625 HG13 VAL 89 3HG1 VAL 89 -1.713 2.137 2.770 626 HG21 VAL 89 3HG2 VAL 89 -2.251 4.204 3.477 627 HG22 VAL 89 1HG2 VAL 89 -1.030 5.336 4.059 628 HG23 VAL 89 2HG2 VAL 89 -0.925 4.691 2.421 629 H ASN 90 H ASN 90 -2.053 4.997 6.322 630 HA ASN 90 HA ASN 90 -4.262 3.245 7.010 631 HB2 ASN 90 1HB ASN 90 -3.659 6.155 7.450 632 HB3 ASN 90 2HB ASN 90 -5.292 5.539 7.686 633 HD21 ASN 90 1HD2 ASN 90 -5.421 3.564 9.100 634 HD22 ASN 90 2HD2 ASN 90 -4.426 3.554 10.512 635 H VAL 91 H VAL 91 -5.597 2.635 5.441 636 HA VAL 91 HA VAL 91 -6.201 4.516 3.265 637 HB VAL 91 HB VAL 91 -6.651 1.531 3.411 638 HG11 VAL 91 1HG1 VAL 91 -6.776 2.800 0.794 639 HG12 VAL 91 2HG1 VAL 91 -7.870 1.635 1.542 640 HG13 VAL 91 3HG1 VAL 91 -8.041 3.356 1.890 641 HG21 VAL 91 3HG2 VAL 91 -4.619 3.187 1.919 642 HG22 VAL 91 1HG2 VAL 91 -4.308 2.032 3.215 643 HG23 VAL 91 2HG2 VAL 91 -4.896 1.466 1.652 644 H ILE 92 H ILE 92 -7.918 5.729 3.781 645 HA ILE 92 HA ILE 92 -10.199 4.475 5.134 646 HB ILE 92 HB ILE 92 -9.524 7.384 4.689 647 HG12 ILE 92 1HG1 ILE 92 -9.909 6.117 7.366 648 HG13 ILE 92 2HG1 ILE 92 -8.405 5.808 6.505 649 HG21 ILE 92 1HG2 ILE 92 -11.499 7.846 6.114 650 HG22 ILE 92 2HG2 ILE 92 -11.913 7.135 4.555 651 HG23 ILE 92 3HG2 ILE 92 -11.931 6.140 6.010 652 HD11 ILE 92 3HD1 ILE 92 -8.322 8.389 6.266 653 HD12 ILE 92 1HD1 ILE 92 -9.461 8.364 7.612 654 HD13 ILE 92 2HD1 ILE 92 -7.867 7.631 7.792 655 H VAL 93 H VAL 93 -12.108 4.171 4.151 656 HA VAL 93 HA VAL 93 -12.424 5.237 1.420 657 HB VAL 93 HB VAL 93 -13.350 2.608 2.573 658 HG11 VAL 93 1HG1 VAL 93 -15.167 2.885 1.282 659 HG12 VAL 93 2HG1 VAL 93 -14.432 4.194 0.354 660 HG13 VAL 93 3HG1 VAL 93 -14.067 2.514 -0.046 661 HG21 VAL 93 3HG2 VAL 93 -11.251 3.476 0.682 662 HG22 VAL 93 1HG2 VAL 93 -11.281 2.112 1.800 663 HG23 VAL 93 2HG2 VAL 93 -12.133 2.008 0.259 664 H LYS 94 H LYS 94 -14.106 6.528 1.073 665 HA LYS 94 HA LYS 94 -16.275 6.559 3.069 666 HB2 LYS 94 1HB LYS 94 -15.065 8.788 1.438 667 HB3 LYS 94 2HB LYS 94 -16.615 8.951 2.252 668 HG2 LYS 94 1HG LYS 94 -15.650 8.811 4.374 669 HG3 LYS 94 2HG LYS 94 -14.147 8.136 3.742 670 HD2 LYS 94 1HD LYS 94 -13.596 10.250 2.698 671 HD3 LYS 94 2HD LYS 94 -15.144 10.933 3.202 672 HE2 LYS 94 1HE LYS 94 -13.745 11.748 4.834 673 HE3 LYS 94 2HE LYS 94 -14.323 10.266 5.592 674 HZ1 LYS 94 3HZ LYS 94 -11.711 10.718 4.268 675 HZ2 LYS 94 1HZ LYS 94 -12.276 9.179 4.685 676 HZ3 LYS 94 2HZ LYS 94 -11.997 10.333 5.890 677 H GLU 95 H GLU 95 -18.343 7.576 2.096 678 HA GLU 95 HA GLU 95 -18.972 6.039 -0.300 679 HB2 GLU 95 1HB GLU 95 -20.711 7.501 1.689 680 HB3 GLU 95 2HB GLU 95 -21.338 6.698 0.256 681 HG2 GLU 95 1HG GLU 95 -20.701 4.570 1.048 682 HG3 GLU 95 2HG GLU 95 -19.711 5.264 2.330 683 H GLU 96 H GLU 96 -20.185 6.982 -2.056 684 HA GLU 96 HA GLU 96 -19.048 9.234 -3.167 685 HB2 GLU 96 1HB GLU 96 -20.376 7.544 -4.406 686 HB3 GLU 96 2HB GLU 96 -21.841 8.207 -3.695 687 HG2 GLU 96 1HG GLU 96 -21.342 10.371 -4.775 688 HG3 GLU 96 2HG GLU 96 -19.947 9.625 -5.553 689 H SER 97 H SER 97 -19.209 11.341 -2.797 690 HA SER 97 HA SER 97 -20.578 12.490 -0.709 691 HB2 SER 97 1HB SER 97 -19.637 13.707 -3.309 692 HB3 SER 97 2HB SER 97 -20.290 14.669 -1.983 693 HG SER 97 HG SER 97 -17.822 13.880 -2.275 694 H GLY 98 H GLY 98 -22.595 13.205 -0.338 695 HA2 GLY 98 1HA GLY 98 -24.582 12.743 -2.441 696 HA3 GLY 98 2HA GLY 98 -24.916 12.930 -0.726 697 HA PRO 99 HA PRO 99 -25.255 17.002 -3.278 698 HB2 PRO 99 1HB PRO 99 -27.842 16.901 -4.092 699 HB3 PRO 99 2HB PRO 99 -26.501 16.304 -5.077 700 HG2 PRO 99 1HG PRO 99 -28.399 14.777 -3.337 701 HG3 PRO 99 2HG PRO 99 -27.805 14.382 -4.960 702 HD2 PRO 99 1HD PRO 99 -26.792 13.244 -2.722 703 HD3 PRO 99 2HD PRO 99 -25.806 13.555 -4.165 704 H SER 100 H SER 100 -27.945 15.424 -1.544 705 HA SER 100 HA SER 100 -28.997 17.769 -0.411 706 HB2 SER 100 1HB SER 100 -30.417 16.381 0.805 707 HB3 SER 100 2HB SER 100 -29.987 15.351 -0.560 708 HG SER 100 HG SER 100 -29.172 15.205 2.116 709 H SER 101 H SER 101 -29.124 18.051 2.056 710 HA SER 101 HA SER 101 -26.438 17.707 3.219 711 HB2 SER 101 1HB SER 101 -26.596 20.018 2.646 712 HB3 SER 101 2HB SER 101 -28.237 20.134 3.283 713 HG SER 101 HG SER 101 -25.816 20.241 4.596 714 H GLY 102 H GLY 102 -29.845 18.400 4.000 715 HA2 GLY 102 1HA GLY 102 -30.655 16.499 5.581 716 HA3 GLY 102 2HA GLY 102 -29.437 17.188 6.644 Start of MODEL 9 1 H1 GLY 1 H GLY 1 24.915 -3.130 9.628 2 HA2 GLY 1 1HA GLY 1 22.717 -3.504 11.218 3 HA3 GLY 1 2HA GLY 1 24.063 -4.044 12.209 4 H SER 2 H SER 2 23.460 -1.316 9.989 5 HA SER 2 HA SER 2 23.928 0.556 12.166 6 HB2 SER 2 1HB SER 2 25.706 1.751 11.053 7 HB3 SER 2 2HB SER 2 26.179 0.057 11.181 8 HG SER 2 HG SER 2 26.439 0.161 9.105 9 H SER 3 H SER 3 23.093 2.617 11.791 10 HA SER 3 HA SER 3 21.249 2.761 9.512 11 HB2 SER 3 1HB SER 3 20.423 2.981 11.924 12 HB3 SER 3 2HB SER 3 21.218 4.554 11.939 13 HG SER 3 HG SER 3 18.909 4.468 11.306 14 H GLY 4 H GLY 4 21.067 4.670 8.270 15 HA2 GLY 4 1HA GLY 4 23.359 6.516 8.503 16 HA3 GLY 4 2HA GLY 4 22.889 5.836 6.953 17 H SER 5 H SER 5 20.800 6.419 6.082 18 HA SER 5 HA SER 5 20.060 9.146 6.866 19 HB2 SER 5 1HB SER 5 19.020 9.295 4.634 20 HB3 SER 5 2HB SER 5 20.720 8.838 4.524 21 HG SER 5 HG SER 5 19.690 7.431 3.216 22 H SER 6 H SER 6 17.795 9.755 6.854 23 HA SER 6 HA SER 6 16.180 7.767 8.186 24 HB2 SER 6 1HB SER 6 15.687 10.677 7.527 25 HB3 SER 6 2HB SER 6 14.541 9.664 8.404 26 HG SER 6 HG SER 6 15.981 9.476 10.066 27 H GLY 7 H GLY 7 14.361 6.783 7.433 28 HA2 GLY 7 1HA GLY 7 12.482 6.670 5.924 29 HA3 GLY 7 2HA GLY 7 13.466 7.478 4.713 30 H GLN 8 H GLN 8 12.646 4.459 6.196 31 HA GLN 8 HA GLN 8 14.474 3.045 4.378 32 HB2 GLN 8 1HB GLN 8 13.160 2.239 6.963 33 HB3 GLN 8 2HB GLN 8 13.854 1.048 5.871 34 HG2 GLN 8 1HG GLN 8 15.995 1.682 6.309 35 HG3 GLN 8 2HG GLN 8 15.545 3.348 6.670 36 HE21 GLN 8 1HE2 GLN 8 14.088 3.517 8.673 37 HE22 GLN 8 2HE2 GLN 8 14.603 2.608 10.048 38 H ALA 9 H ALA 9 11.192 2.688 5.734 39 HA ALA 9 HA ALA 9 10.377 1.475 3.174 40 HB1 ALA 9 3HB ALA 9 9.057 1.044 5.847 41 HB2 ALA 9 1HB ALA 9 8.748 0.179 4.341 42 HB3 ALA 9 2HB ALA 9 10.290 -0.022 5.174 43 H ASP 10 H ASP 10 9.347 2.947 1.988 44 HA ASP 10 HA ASP 10 7.583 4.877 3.328 45 HB2 ASP 10 1HB ASP 10 9.436 5.686 1.795 46 HB3 ASP 10 2HB ASP 10 8.530 4.974 0.463 47 H ALA 11 H ALA 11 5.613 3.980 3.526 48 HA ALA 11 HA ALA 11 4.473 2.524 1.252 49 HB1 ALA 11 3HB ALA 11 4.421 1.436 3.461 50 HB2 ALA 11 1HB ALA 11 3.429 2.760 4.071 51 HB3 ALA 11 2HB ALA 11 2.807 1.702 2.803 52 H GLY 12 H GLY 12 4.763 5.398 1.158 53 HA2 GLY 12 1HA GLY 12 3.544 7.227 0.495 54 HA3 GLY 12 2HA GLY 12 2.230 6.105 0.169 55 HA PRO 13 HA PRO 13 1.459 8.905 3.963 56 HB2 PRO 13 1HB PRO 13 -0.161 10.753 2.808 57 HB3 PRO 13 2HB PRO 13 1.592 10.950 2.924 58 HG2 PRO 13 1HG PRO 13 -0.061 10.027 0.606 59 HG3 PRO 13 2HG PRO 13 1.313 11.148 0.624 60 HD2 PRO 13 1HD PRO 13 1.557 8.556 -0.120 61 HD3 PRO 13 2HD PRO 13 2.863 9.443 0.690 62 H ASP 14 H ASP 14 -0.887 9.639 4.639 63 HA ASP 14 HA ASP 14 -2.475 7.394 4.878 64 HB2 ASP 14 1HB ASP 14 -4.021 8.739 5.962 65 HB3 ASP 14 2HB ASP 14 -2.553 9.701 6.109 66 H LYS 15 H LYS 15 -4.258 6.582 3.832 67 HA LYS 15 HA LYS 15 -4.722 7.640 1.125 68 HB2 LYS 15 1HB LYS 15 -4.795 4.886 2.291 69 HB3 LYS 15 2HB LYS 15 -5.797 5.247 0.891 70 HG2 LYS 15 1HG LYS 15 -2.929 6.006 0.787 71 HG3 LYS 15 2HG LYS 15 -3.351 4.298 0.644 72 HD2 LYS 15 1HD LYS 15 -3.435 4.911 -1.559 73 HD3 LYS 15 2HD LYS 15 -5.106 5.235 -1.091 74 HE2 LYS 15 1HE LYS 15 -3.111 7.414 -0.764 75 HE3 LYS 15 2HE LYS 15 -3.640 7.015 -2.398 76 HZ1 LYS 15 3HZ LYS 15 -5.818 7.225 -0.551 77 HZ2 LYS 15 1HZ LYS 15 -5.602 7.974 -2.053 78 HZ3 LYS 15 2HZ LYS 15 -4.931 8.662 -0.661 79 H GLU 16 H GLU 16 -6.686 8.354 0.549 80 HA GLU 16 HA GLU 16 -8.985 7.704 2.252 81 HB2 GLU 16 1HB GLU 16 -7.825 10.038 2.653 82 HB3 GLU 16 2HB GLU 16 -8.709 10.489 1.202 83 HG2 GLU 16 1HG GLU 16 -10.776 9.581 2.389 84 HG3 GLU 16 2HG GLU 16 -9.793 9.610 3.852 85 H LEU 17 H LEU 17 -10.250 6.594 0.902 86 HA LEU 17 HA LEU 17 -10.623 7.617 -1.832 87 HB2 LEU 17 1HB LEU 17 -11.356 4.868 -0.869 88 HB3 LEU 17 2HB LEU 17 -11.168 5.429 -2.529 89 HG LEU 17 HG LEU 17 -8.829 5.344 -0.653 90 HD11 LEU 17 1HD1 LEU 17 -10.119 3.109 -0.863 91 HD12 LEU 17 2HD1 LEU 17 -8.374 3.124 -1.114 92 HD13 LEU 17 3HD1 LEU 17 -9.464 3.080 -2.500 93 HD21 LEU 17 3HD2 LEU 17 -7.542 5.562 -2.536 94 HD22 LEU 17 1HD2 LEU 17 -8.969 6.481 -3.016 95 HD23 LEU 17 2HD2 LEU 17 -8.754 4.826 -3.586 96 H THR 18 H THR 18 -12.740 7.648 -2.724 97 HA THR 18 HA THR 18 -14.935 7.495 -0.773 98 HB THR 18 HB THR 18 -14.658 9.732 -2.786 99 HG1 THR 18 1HG THR 18 -14.153 11.014 -0.945 100 HG21 THR 18 3HG2 THR 18 -16.959 9.247 -2.225 101 HG22 THR 18 1HG2 THR 18 -16.477 10.749 -1.437 102 HG23 THR 18 2HG2 THR 18 -16.577 9.256 -0.503 103 H LEU 19 H LEU 19 -16.250 5.960 -1.502 104 HA LEU 19 HA LEU 19 -16.379 4.721 -3.887 105 HB2 LEU 19 1HB LEU 19 -18.565 5.416 -1.961 106 HB3 LEU 19 2HB LEU 19 -18.912 4.503 -3.428 107 HG LEU 19 HG LEU 19 -16.916 3.615 -1.352 108 HD11 LEU 19 1HD1 LEU 19 -18.788 1.947 -0.816 109 HD12 LEU 19 2HD1 LEU 19 -19.862 3.117 -1.582 110 HD13 LEU 19 3HD1 LEU 19 -18.921 3.581 -0.165 111 HD21 LEU 19 3HD2 LEU 19 -16.853 1.584 -2.488 112 HD22 LEU 19 1HD2 LEU 19 -16.860 2.780 -3.784 113 HD23 LEU 19 2HD2 LEU 19 -18.344 1.921 -3.371 114 HA PRO 20 HA PRO 20 -18.217 3.785 -5.147 115 HB2 PRO 20 1HB PRO 20 -17.916 3.425 -7.821 116 HB3 PRO 20 2HB PRO 20 -19.459 3.866 -7.079 117 HG2 PRO 20 1HG PRO 20 -17.451 5.610 -8.452 118 HG3 PRO 20 2HG PRO 20 -19.219 5.620 -8.587 119 HD2 PRO 20 1HD PRO 20 -17.865 7.395 -7.055 120 HD3 PRO 20 2HD PRO 20 -19.487 6.811 -6.632 121 H VAL 21 H VAL 21 -15.695 5.878 -5.741 122 HA VAL 21 HA VAL 21 -13.722 4.346 -6.957 123 HB VAL 21 HB VAL 21 -13.282 6.312 -4.707 124 HG11 VAL 21 1HG1 VAL 21 -11.517 4.820 -6.485 125 HG12 VAL 21 2HG1 VAL 21 -11.217 6.559 -6.497 126 HG13 VAL 21 3HG1 VAL 21 -11.160 5.663 -4.978 127 HG21 VAL 21 3HG2 VAL 21 -14.490 6.770 -7.193 128 HG22 VAL 21 1HG2 VAL 21 -13.889 7.973 -6.053 129 HG23 VAL 21 2HG2 VAL 21 -12.841 7.377 -7.340 130 H ASP 22 H ASP 22 -13.821 2.201 -6.276 131 HA ASP 22 HA ASP 22 -12.956 1.709 -3.503 132 HB2 ASP 22 1HB ASP 22 -13.911 -0.612 -3.889 133 HB3 ASP 22 2HB ASP 22 -15.085 0.697 -3.794 134 H SER 23 H SER 23 -11.093 2.395 -5.476 135 HA SER 23 HA SER 23 -9.406 0.045 -5.398 136 HB2 SER 23 1HB SER 23 -8.886 0.176 -7.845 137 HB3 SER 23 2HB SER 23 -10.531 -0.359 -7.499 138 HG SER 23 HG SER 23 -11.161 1.249 -8.676 139 H THR 24 H THR 24 -7.350 0.604 -5.045 140 HA THR 24 HA THR 24 -6.372 3.212 -5.918 141 HB THR 24 HB THR 24 -7.290 3.442 -3.568 142 HG1 THR 24 1HG THR 24 -5.885 5.014 -3.648 143 HG21 THR 24 3HG2 THR 24 -6.583 1.259 -2.715 144 HG22 THR 24 1HG2 THR 24 -5.907 2.566 -1.744 145 HG23 THR 24 2HG2 THR 24 -4.893 1.722 -2.914 146 H THR 25 H THR 25 -3.978 3.424 -5.452 147 HA THR 25 HA THR 25 -2.642 0.803 -5.514 148 HB THR 25 HB THR 25 -1.028 1.783 -7.186 149 HG1 THR 25 1HG THR 25 -2.128 3.551 -8.445 150 HG21 THR 25 3HG2 THR 25 -2.259 1.026 -8.984 151 HG22 THR 25 1HG2 THR 25 -3.752 1.769 -8.414 152 HG23 THR 25 2HG2 THR 25 -3.145 0.304 -7.642 153 H LEU 26 H LEU 26 -1.325 0.687 -3.826 154 HA LEU 26 HA LEU 26 -0.256 3.105 -2.620 155 HB2 LEU 26 1HB LEU 26 0.146 0.246 -1.763 156 HB3 LEU 26 2HB LEU 26 0.449 1.697 -0.810 157 HG LEU 26 HG LEU 26 -2.321 1.116 -1.771 158 HD11 LEU 26 1HD1 LEU 26 -2.795 -0.289 0.068 159 HD12 LEU 26 2HD1 LEU 26 -1.208 -0.012 0.785 160 HD13 LEU 26 3HD1 LEU 26 -1.353 -0.954 -0.699 161 HD21 LEU 26 3HD2 LEU 26 -2.938 2.346 0.206 162 HD22 LEU 26 1HD2 LEU 26 -1.740 3.272 -0.699 163 HD23 LEU 26 2HD2 LEU 26 -1.260 2.388 0.750 164 H ASP 27 H ASP 27 1.237 3.764 -4.202 165 HA ASP 27 HA ASP 27 3.372 1.993 -5.004 166 HB2 ASP 27 1HB ASP 27 2.899 3.446 -6.730 167 HB3 ASP 27 2HB ASP 27 2.560 4.793 -5.646 168 H GLY 28 H GLY 28 4.898 1.504 -3.561 169 HA2 GLY 28 1HA GLY 28 5.784 3.583 -1.678 170 HA3 GLY 28 2HA GLY 28 6.025 1.854 -1.478 171 H SER 29 H SER 29 6.622 3.227 -4.585 172 HA SER 29 HA SER 29 9.371 2.423 -4.480 173 HB2 SER 29 1HB SER 29 7.794 2.365 -6.517 174 HB3 SER 29 2HB SER 29 8.141 4.087 -6.671 175 HG SER 29 HG SER 29 9.536 2.300 -7.748 176 H LYS 30 H LYS 30 9.110 4.219 -2.494 177 HA LYS 30 HA LYS 30 10.630 6.524 -3.507 178 HB2 LYS 30 1HB LYS 30 8.435 6.589 -1.430 179 HB3 LYS 30 2HB LYS 30 9.510 7.936 -1.784 180 HG2 LYS 30 1HG LYS 30 7.991 6.739 -4.035 181 HG3 LYS 30 2HG LYS 30 7.116 7.738 -2.872 182 HD2 LYS 30 1HD LYS 30 9.666 8.676 -4.150 183 HD3 LYS 30 2HD LYS 30 8.102 8.889 -4.941 184 HE2 LYS 30 1HE LYS 30 8.675 9.828 -2.138 185 HE3 LYS 30 2HE LYS 30 8.922 10.839 -3.561 186 HZ1 LYS 30 3HZ LYS 30 6.356 9.667 -2.637 187 HZ2 LYS 30 1HZ LYS 30 6.553 10.485 -4.105 188 HZ3 LYS 30 2HZ LYS 30 6.782 11.304 -2.643 189 H SER 31 H SER 31 11.311 3.919 -2.180 190 HA SER 31 HA SER 31 12.156 4.510 0.478 191 HB2 SER 31 1HB SER 31 11.720 2.204 -0.284 192 HB3 SER 31 2HB SER 31 13.088 2.317 -1.392 193 HG SER 31 HG SER 31 13.307 2.675 1.412 194 H SER 32 H SER 32 14.621 3.990 0.955 195 HA SER 32 HA SER 32 16.152 6.132 0.495 196 HB2 SER 32 1HB SER 32 16.664 3.846 1.734 197 HB3 SER 32 2HB SER 32 17.576 3.515 0.261 198 HG SER 32 HG SER 32 18.507 4.777 2.243 199 H ASP 33 H ASP 33 16.440 7.197 -1.353 200 HA ASP 33 HA ASP 33 16.526 5.948 -3.906 201 HB2 ASP 33 1HB ASP 33 17.244 8.252 -4.679 202 HB3 ASP 33 2HB ASP 33 15.711 8.183 -3.816 203 H ASP 34 H ASP 34 18.924 6.811 -1.552 204 HA ASP 34 HA ASP 34 21.163 6.707 -3.334 205 HB2 ASP 34 1HB ASP 34 21.487 8.005 -1.386 206 HB3 ASP 34 2HB ASP 34 20.885 6.727 -0.335 207 H GLN 35 H GLN 35 19.973 4.520 -0.781 208 HA GLN 35 HA GLN 35 21.582 2.367 -1.961 209 HB2 GLN 35 1HB GLN 35 20.423 2.823 0.767 210 HB3 GLN 35 2HB GLN 35 20.839 1.195 0.247 211 HG2 GLN 35 1HG GLN 35 23.143 1.949 -0.181 212 HG3 GLN 35 2HG GLN 35 22.709 3.545 0.427 213 HE21 GLN 35 1HE2 GLN 35 22.257 0.176 1.461 214 HE22 GLN 35 2HE2 GLN 35 22.786 0.426 3.086 215 H LYS 36 H LYS 36 20.201 1.896 -3.702 216 HA LYS 36 HA LYS 36 17.463 1.469 -3.602 217 HB2 LYS 36 1HB LYS 36 17.776 0.071 -5.618 218 HB3 LYS 36 2HB LYS 36 18.656 1.591 -5.708 219 HG2 LYS 36 1HG LYS 36 20.690 0.315 -4.929 220 HG3 LYS 36 2HG LYS 36 19.756 -1.158 -5.204 221 HD2 LYS 36 1HD LYS 36 19.391 -0.397 -7.554 222 HD3 LYS 36 2HD LYS 36 20.499 0.941 -7.240 223 HE2 LYS 36 1HE LYS 36 21.889 -0.636 -8.204 224 HE3 LYS 36 2HE LYS 36 22.133 -0.925 -6.482 225 HZ1 LYS 36 3HZ LYS 36 20.206 -2.454 -8.139 226 HZ2 LYS 36 1HZ LYS 36 20.705 -2.800 -6.560 227 HZ3 LYS 36 2HZ LYS 36 21.792 -2.962 -7.845 228 H ILE 37 H ILE 37 16.161 -0.167 -2.977 229 HA ILE 37 HA ILE 37 17.365 -2.303 -1.415 230 HB ILE 37 HB ILE 37 15.045 -2.846 -0.759 231 HG12 ILE 37 1HG1 ILE 37 14.220 -0.377 -2.286 232 HG13 ILE 37 2HG1 ILE 37 14.075 -1.997 -2.959 233 HG21 ILE 37 1HG2 ILE 37 15.304 -1.381 0.889 234 HG22 ILE 37 2HG2 ILE 37 16.566 -0.602 -0.064 235 HG23 ILE 37 3HG2 ILE 37 14.900 -0.037 -0.178 236 HD11 ILE 37 3HD1 ILE 37 12.909 -1.804 -0.316 237 HD12 ILE 37 1HD1 ILE 37 12.189 -0.668 -1.457 238 HD13 ILE 37 2HD1 ILE 37 12.211 -2.393 -1.825 239 H ILE 38 H ILE 38 16.268 -4.510 -1.596 240 HA ILE 38 HA ILE 38 15.684 -5.184 -4.396 241 HB ILE 38 HB ILE 38 17.045 -7.237 -4.186 242 HG12 ILE 38 1HG1 ILE 38 18.356 -6.020 -1.772 243 HG13 ILE 38 2HG1 ILE 38 16.955 -7.070 -1.591 244 HG21 ILE 38 1HG2 ILE 38 19.262 -6.109 -4.338 245 HG22 ILE 38 2HG2 ILE 38 18.009 -5.373 -5.334 246 HG23 ILE 38 3HG2 ILE 38 18.483 -4.617 -3.813 247 HD11 ILE 38 3HD1 ILE 38 18.635 -8.585 -1.365 248 HD12 ILE 38 1HD1 ILE 38 18.382 -8.673 -3.108 249 HD13 ILE 38 2HD1 ILE 38 19.716 -7.719 -2.457 250 H SER 39 H SER 39 13.798 -4.842 -2.359 251 HA SER 39 HA SER 39 12.498 -7.397 -2.442 252 HB2 SER 39 1HB SER 39 13.788 -6.436 0.062 253 HB3 SER 39 2HB SER 39 12.185 -7.156 0.207 254 HG SER 39 HG SER 39 13.013 -9.047 -0.191 255 H TYR 40 H TYR 40 10.339 -7.148 -2.461 256 HA TYR 40 HA TYR 40 9.124 -4.784 -1.272 257 HB2 TYR 40 1HB TYR 40 8.986 -5.427 -4.219 258 HB3 TYR 40 2HB TYR 40 7.856 -4.343 -3.415 259 HD1 TYR 40 1HD TYR 40 8.822 -2.291 -2.229 260 HD2 TYR 40 2HD TYR 40 11.042 -4.630 -5.005 261 HE1 TYR 40 1HE TYR 40 10.383 -0.418 -2.549 262 HE2 TYR 40 2HE TYR 40 12.610 -2.763 -5.331 263 HH TYR 40 HH TYR 40 12.624 -0.306 -5.080 264 H LEU 41 H LEU 41 7.380 -5.405 -0.199 265 HA LEU 41 HA LEU 41 5.714 -7.559 -1.285 266 HB2 LEU 41 1HB LEU 41 7.275 -8.480 0.420 267 HB3 LEU 41 2HB LEU 41 6.555 -7.392 1.604 268 HG LEU 41 HG LEU 41 4.346 -8.567 1.088 269 HD11 LEU 41 1HD1 LEU 41 5.487 -11.069 0.418 270 HD12 LEU 41 2HD1 LEU 41 6.033 -9.892 -0.776 271 HD13 LEU 41 3HD1 LEU 41 4.308 -10.121 -0.489 272 HD21 LEU 41 3HD2 LEU 41 6.465 -10.300 2.338 273 HD22 LEU 41 1HD2 LEU 41 4.748 -10.218 2.734 274 HD23 LEU 41 2HD2 LEU 41 5.808 -8.864 3.125 275 H TRP 42 H TRP 42 3.531 -7.440 -0.754 276 HA TRP 42 HA TRP 42 2.662 -5.164 0.874 277 HB2 TRP 42 1HB TRP 42 1.980 -5.667 -2.008 278 HB3 TRP 42 2HB TRP 42 0.848 -4.818 -0.958 279 HD1 TRP 42 HD TRP 42 4.090 -4.351 -2.850 280 HE1 TRP 42 1HE TRP 42 4.828 -1.891 -2.675 281 HE3 TRP 42 3HE TRP 42 0.756 -2.752 0.681 282 HZ2 TRP 42 2HZ TRP 42 4.095 0.421 -1.231 283 HZ3 TRP 42 3HZ TRP 42 0.842 -0.401 1.404 284 HH2 TRP 42 HH TRP 42 2.477 1.150 0.467 285 H GLU 43 H GLU 43 1.235 -5.825 2.330 286 HA GLU 43 HA GLU 43 -0.822 -7.742 1.621 287 HB2 GLU 43 1HB GLU 43 1.183 -8.290 3.815 288 HB3 GLU 43 2HB GLU 43 -0.318 -9.180 3.599 289 HG2 GLU 43 1HG GLU 43 0.472 -9.814 1.321 290 HG3 GLU 43 2HG GLU 43 2.021 -9.071 1.713 291 H LYS 44 H LYS 44 -2.628 -7.661 2.958 292 HA LYS 44 HA LYS 44 -2.889 -5.222 4.482 293 HB2 LYS 44 1HB LYS 44 -4.661 -6.121 2.932 294 HB3 LYS 44 2HB LYS 44 -4.941 -7.406 4.100 295 HG2 LYS 44 1HG LYS 44 -5.224 -5.362 5.748 296 HG3 LYS 44 2HG LYS 44 -5.620 -4.522 4.247 297 HD2 LYS 44 1HD LYS 44 -6.956 -6.994 5.347 298 HD3 LYS 44 2HD LYS 44 -7.645 -5.371 5.253 299 HE2 LYS 44 1HE LYS 44 -7.950 -5.488 2.976 300 HE3 LYS 44 2HE LYS 44 -6.664 -6.673 2.757 301 HZ1 LYS 44 3HZ LYS 44 -9.459 -7.085 3.248 302 HZ2 LYS 44 1HZ LYS 44 -8.478 -7.980 4.296 303 HZ3 LYS 44 2HZ LYS 44 -8.304 -8.152 2.623 304 H THR 45 H THR 45 -2.406 -5.082 6.561 305 HA THR 45 HA THR 45 -2.093 -7.463 8.175 306 HB THR 45 HB THR 45 -1.634 -5.561 9.968 307 HG1 THR 45 1HG THR 45 -0.990 -4.220 7.545 308 HG21 THR 45 3HG2 THR 45 0.624 -5.860 9.575 309 HG22 THR 45 1HG2 THR 45 0.433 -5.817 7.823 310 HG23 THR 45 2HG2 THR 45 -0.062 -7.246 8.730 311 H GLN 46 H GLN 46 -4.253 -4.680 8.003 312 HA GLN 46 HA GLN 46 -6.093 -6.089 9.806 313 HB2 GLN 46 1HB GLN 46 -4.984 -3.347 10.091 314 HB3 GLN 46 2HB GLN 46 -6.687 -3.564 10.473 315 HG2 GLN 46 1HG GLN 46 -6.200 -5.128 12.179 316 HG3 GLN 46 2HG GLN 46 -4.518 -5.261 11.670 317 HE21 GLN 46 1HE2 GLN 46 -6.838 -2.777 12.693 318 HE22 GLN 46 2HE2 GLN 46 -5.730 -1.914 13.700 319 H GLY 47 H GLY 47 -8.346 -5.209 9.661 320 HA2 GLY 47 1HA GLY 47 -9.940 -3.902 8.364 321 HA3 GLY 47 2HA GLY 47 -8.898 -4.133 6.967 322 HA PRO 48 HA PRO 48 -12.350 -7.379 7.230 323 HB2 PRO 48 1HB PRO 48 -13.855 -6.480 5.156 324 HB3 PRO 48 2HB PRO 48 -14.106 -5.953 6.825 325 HG2 PRO 48 1HG PRO 48 -12.647 -4.576 4.603 326 HG3 PRO 48 2HG PRO 48 -13.768 -3.895 5.796 327 HD2 PRO 48 1HD PRO 48 -11.080 -3.672 6.029 328 HD3 PRO 48 2HD PRO 48 -12.154 -3.789 7.438 329 H ASP 49 H ASP 49 -11.635 -9.178 6.293 330 HA ASP 49 HA ASP 49 -9.906 -9.208 4.055 331 HB2 ASP 49 1HB ASP 49 -10.201 -11.670 4.138 332 HB3 ASP 49 2HB ASP 49 -9.822 -10.979 5.713 333 H GLY 50 H GLY 50 -10.361 -9.056 1.964 334 HA2 GLY 50 1HA GLY 50 -12.337 -10.420 0.585 335 HA3 GLY 50 2HA GLY 50 -13.039 -8.869 1.020 336 H VAL 51 H VAL 51 -10.760 -7.253 0.779 337 HA VAL 51 HA VAL 51 -10.816 -6.571 -1.913 338 HB VAL 51 HB VAL 51 -8.964 -5.096 -1.486 339 HG11 VAL 51 1HG1 VAL 51 -11.174 -5.344 0.422 340 HG12 VAL 51 2HG1 VAL 51 -9.817 -4.374 0.998 341 HG13 VAL 51 3HG1 VAL 51 -10.628 -3.950 -0.510 342 HG21 VAL 51 3HG2 VAL 51 -8.536 -6.324 1.215 343 HG22 VAL 51 1HG2 VAL 51 -7.688 -6.932 -0.207 344 HG23 VAL 51 2HG2 VAL 51 -7.473 -5.256 0.299 345 H GLN 52 H GLN 52 -9.017 -6.571 -3.468 346 HA GLN 52 HA GLN 52 -7.407 -9.031 -3.277 347 HB2 GLN 52 1HB GLN 52 -8.973 -7.892 -5.563 348 HB3 GLN 52 2HB GLN 52 -7.556 -8.884 -5.883 349 HG2 GLN 52 1HG GLN 52 -8.518 -10.765 -4.825 350 HG3 GLN 52 2HG GLN 52 -9.822 -9.798 -4.139 351 HE21 GLN 52 1HE2 GLN 52 -10.860 -11.777 -5.272 352 HE22 GLN 52 2HE2 GLN 52 -11.422 -11.485 -6.879 353 H LEU 53 H LEU 53 -5.292 -8.694 -3.277 354 HA LEU 53 HA LEU 53 -4.265 -6.101 -4.159 355 HB2 LEU 53 1HB LEU 53 -3.365 -8.203 -2.280 356 HB3 LEU 53 2HB LEU 53 -2.109 -7.299 -3.123 357 HG LEU 53 HG LEU 53 -4.247 -5.761 -1.742 358 HD11 LEU 53 1HD1 LEU 53 -3.442 -6.063 0.393 359 HD12 LEU 53 2HD1 LEU 53 -1.892 -6.694 -0.163 360 HD13 LEU 53 3HD1 LEU 53 -3.339 -7.699 -0.257 361 HD21 LEU 53 3HD2 LEU 53 -1.271 -5.381 -2.052 362 HD22 LEU 53 1HD2 LEU 53 -2.400 -4.225 -1.346 363 HD23 LEU 53 2HD2 LEU 53 -2.515 -4.637 -3.057 364 H GLU 54 H GLU 54 -3.098 -5.850 -5.956 365 HA GLU 54 HA GLU 54 -2.218 -8.278 -7.374 366 HB2 GLU 54 1HB GLU 54 -3.333 -5.678 -8.376 367 HB3 GLU 54 2HB GLU 54 -2.320 -6.670 -9.414 368 HG2 GLU 54 1HG GLU 54 -4.390 -7.421 -10.001 369 HG3 GLU 54 2HG GLU 54 -3.983 -8.564 -8.723 370 H ASN 55 H ASN 55 -0.158 -8.388 -8.158 371 HA ASN 55 HA ASN 55 2.071 -7.962 -8.305 372 HB2 ASN 55 1HB ASN 55 0.812 -5.311 -8.803 373 HB3 ASN 55 2HB ASN 55 2.546 -5.338 -8.498 374 HD21 ASN 55 1HD2 ASN 55 0.225 -5.512 -10.829 375 HD22 ASN 55 2HD2 ASN 55 1.144 -6.254 -12.089 376 H ALA 56 H ALA 56 1.061 -8.336 -5.730 377 HA ALA 56 HA ALA 56 1.873 -6.372 -3.877 378 HB1 ALA 56 3HB ALA 56 1.715 -9.338 -3.377 379 HB2 ALA 56 1HB ALA 56 1.570 -8.038 -2.194 380 HB3 ALA 56 2HB ALA 56 0.313 -8.269 -3.411 381 H ASN 57 H ASN 57 3.685 -8.435 -5.847 382 HA ASN 57 HA ASN 57 5.979 -8.532 -4.052 383 HB2 ASN 57 1HB ASN 57 5.739 -9.571 -6.884 384 HB3 ASN 57 2HB ASN 57 7.014 -9.947 -5.728 385 HD21 ASN 57 1HD2 ASN 57 5.756 -10.532 -3.468 386 HD22 ASN 57 2HD2 ASN 57 4.693 -11.880 -3.668 387 H SER 58 H SER 58 4.850 -6.044 -5.401 388 HA SER 58 HA SER 58 7.413 -5.115 -6.510 389 HB2 SER 58 1HB SER 58 4.659 -4.834 -7.634 390 HB3 SER 58 2HB SER 58 5.799 -3.509 -7.865 391 HG SER 58 HG SER 58 6.339 -6.214 -8.529 392 H SER 59 H SER 59 7.743 -2.780 -6.334 393 HA SER 59 HA SER 59 7.389 -1.820 -3.761 394 HB2 SER 59 1HB SER 59 8.936 -1.013 -5.735 395 HB3 SER 59 2HB SER 59 7.619 0.122 -6.030 396 HG SER 59 HG SER 59 8.533 -0.144 -3.409 397 H VAL 60 H VAL 60 5.274 -1.627 -6.512 398 HA VAL 60 HA VAL 60 3.362 -0.072 -4.891 399 HB VAL 60 HB VAL 60 4.085 1.297 -6.745 400 HG11 VAL 60 1HG1 VAL 60 4.826 0.268 -8.577 401 HG12 VAL 60 2HG1 VAL 60 3.952 -1.215 -8.187 402 HG13 VAL 60 3HG1 VAL 60 3.136 0.090 -9.048 403 HG21 VAL 60 3HG2 VAL 60 1.812 1.633 -6.208 404 HG22 VAL 60 1HG2 VAL 60 1.873 1.522 -7.967 405 HG23 VAL 60 2HG2 VAL 60 1.321 0.144 -7.016 406 H ALA 61 H ALA 61 1.410 -0.951 -4.569 407 HA ALA 61 HA ALA 61 0.686 -3.325 -6.160 408 HB1 ALA 61 3HB ALA 61 0.106 -2.857 -3.238 409 HB2 ALA 61 1HB ALA 61 -0.365 -4.271 -4.181 410 HB3 ALA 61 2HB ALA 61 1.341 -3.939 -3.881 411 H THR 62 H THR 62 -1.615 -3.735 -6.367 412 HA THR 62 HA THR 62 -3.222 -1.270 -6.183 413 HB THR 62 HB THR 62 -3.364 -3.405 -8.321 414 HG1 THR 62 1HG THR 62 -2.833 -1.378 -9.588 415 HG21 THR 62 3HG2 THR 62 -5.318 -2.551 -9.028 416 HG22 THR 62 1HG2 THR 62 -4.802 -0.891 -8.739 417 HG23 THR 62 2HG2 THR 62 -5.439 -1.860 -7.410 418 H VAL 63 H VAL 63 -4.828 -1.447 -4.778 419 HA VAL 63 HA VAL 63 -5.889 -4.111 -4.147 420 HB VAL 63 HB VAL 63 -6.032 -1.504 -2.635 421 HG11 VAL 63 1HG1 VAL 63 -7.239 -4.145 -1.824 422 HG12 VAL 63 2HG1 VAL 63 -7.324 -2.616 -0.946 423 HG13 VAL 63 3HG1 VAL 63 -8.157 -2.795 -2.491 424 HG21 VAL 63 3HG2 VAL 63 -4.366 -3.915 -2.503 425 HG22 VAL 63 1HG2 VAL 63 -4.047 -2.279 -1.926 426 HG23 VAL 63 2HG2 VAL 63 -5.015 -3.385 -0.951 427 H THR 64 H THR 64 -7.788 -4.693 -4.948 428 HA THR 64 HA THR 64 -9.686 -2.585 -5.751 429 HB THR 64 HB THR 64 -10.489 -3.987 -7.525 430 HG1 THR 64 1HG THR 64 -9.079 -5.940 -6.140 431 HG21 THR 64 3HG2 THR 64 -8.763 -3.653 -8.962 432 HG22 THR 64 1HG2 THR 64 -7.592 -4.453 -7.915 433 HG23 THR 64 2HG2 THR 64 -8.084 -2.793 -7.581 434 H GLY 65 H GLY 65 -11.954 -3.093 -5.562 435 HA2 GLY 65 1HA GLY 65 -13.806 -4.119 -4.617 436 HA3 GLY 65 2HA GLY 65 -12.765 -5.427 -4.075 437 H LEU 66 H LEU 66 -12.406 -1.978 -3.392 438 HA LEU 66 HA LEU 66 -12.288 -2.572 -0.555 439 HB2 LEU 66 1HB LEU 66 -11.797 -0.101 -2.190 440 HB3 LEU 66 2HB LEU 66 -11.839 -0.062 -0.429 441 HG LEU 66 HG LEU 66 -9.993 -1.977 -1.776 442 HD11 LEU 66 1HD1 LEU 66 -9.949 0.827 -2.272 443 HD12 LEU 66 2HD1 LEU 66 -8.812 -0.411 -2.803 444 HD13 LEU 66 3HD1 LEU 66 -8.567 0.406 -1.260 445 HD21 LEU 66 3HD2 LEU 66 -9.757 -2.272 0.457 446 HD22 LEU 66 1HD2 LEU 66 -10.298 -0.639 0.843 447 HD23 LEU 66 2HD2 LEU 66 -8.650 -0.910 0.278 448 H GLN 67 H GLN 67 -13.620 -1.636 1.023 449 HA GLN 67 HA GLN 67 -16.031 -0.260 0.102 450 HB2 GLN 67 1HB GLN 67 -17.473 -1.724 1.444 451 HB3 GLN 67 2HB GLN 67 -16.642 -2.621 0.180 452 HG2 GLN 67 1HG GLN 67 -16.366 -4.043 1.934 453 HG3 GLN 67 2HG GLN 67 -14.901 -3.075 2.087 454 HE21 GLN 67 1HE2 GLN 67 -14.954 -3.850 4.304 455 HE22 GLN 67 2HE2 GLN 67 -15.916 -3.008 5.466 456 H VAL 68 H VAL 68 -17.326 0.581 1.984 457 HA VAL 68 HA VAL 68 -15.934 2.334 3.524 458 HB VAL 68 HB VAL 68 -18.488 0.954 4.361 459 HG11 VAL 68 1HG1 VAL 68 -18.728 2.448 6.036 460 HG12 VAL 68 2HG1 VAL 68 -16.968 2.524 5.937 461 HG13 VAL 68 3HG1 VAL 68 -17.952 3.748 5.132 462 HG21 VAL 68 3HG2 VAL 68 -19.466 2.014 2.672 463 HG22 VAL 68 1HG2 VAL 68 -18.947 3.554 3.358 464 HG23 VAL 68 2HG2 VAL 68 -17.922 2.719 2.191 465 H GLY 69 H GLY 69 -14.224 1.872 4.767 466 HA2 GLY 69 1HA GLY 69 -14.425 0.706 7.266 467 HA3 GLY 69 2HA GLY 69 -13.915 -0.580 6.183 468 H THR 70 H THR 70 -12.102 -0.372 7.880 469 HA THR 70 HA THR 70 -10.128 1.614 6.968 470 HB THR 70 HB THR 70 -9.904 0.082 9.547 471 HG1 THR 70 1HG THR 70 -10.919 1.938 10.521 472 HG21 THR 70 3HG2 THR 70 -8.295 1.621 10.126 473 HG22 THR 70 1HG2 THR 70 -8.972 2.880 9.093 474 HG23 THR 70 2HG2 THR 70 -8.056 1.552 8.380 475 H TYR 71 H TYR 71 -8.550 0.854 5.735 476 HA TYR 71 HA TYR 71 -7.798 -1.983 5.998 477 HB2 TYR 71 1HB TYR 71 -7.781 -0.155 3.597 478 HB3 TYR 71 2HB TYR 71 -6.947 -1.705 3.620 479 HD1 TYR 71 2HD TYR 71 -8.310 -3.804 3.994 480 HD2 TYR 71 1HD TYR 71 -10.094 -0.030 3.166 481 HE1 TYR 71 2HE TYR 71 -10.391 -4.938 3.336 482 HE2 TYR 71 1HE TYR 71 -12.180 -1.154 2.507 483 HH TYR 71 HH TYR 71 -12.369 -4.506 1.965 484 H VAL 72 H VAL 72 -5.853 -2.362 6.806 485 HA VAL 72 HA VAL 72 -3.824 -0.231 6.657 486 HB VAL 72 HB VAL 72 -3.874 -2.482 8.663 487 HG11 VAL 72 1HG1 VAL 72 -1.943 -1.659 9.402 488 HG12 VAL 72 2HG1 VAL 72 -1.902 -0.648 7.956 489 HG13 VAL 72 3HG1 VAL 72 -2.591 -0.019 9.453 490 HG21 VAL 72 3HG2 VAL 72 -5.901 -1.018 8.815 491 HG22 VAL 72 1HG2 VAL 72 -4.880 -1.013 10.253 492 HG23 VAL 72 2HG2 VAL 72 -4.821 0.342 9.125 493 H PHE 73 H PHE 73 -2.675 -0.733 4.860 494 HA PHE 73 HA PHE 73 -1.775 -3.489 4.473 495 HB2 PHE 73 1HB PHE 73 -1.445 -1.108 2.638 496 HB3 PHE 73 2HB PHE 73 -1.119 -2.791 2.240 497 HD1 PHE 73 1HD PHE 73 -2.977 -4.386 1.989 498 HD2 PHE 73 2HD PHE 73 -3.651 -0.227 2.592 499 HE1 PHE 73 1HE PHE 73 -5.295 -4.652 1.207 500 HE2 PHE 73 2HE PHE 73 -5.970 -0.486 1.812 501 HZ PHE 73 HZ PHE 73 -6.795 -2.700 1.119 502 H THR 74 H THR 74 0.170 -4.104 5.120 503 HA THR 74 HA THR 74 2.164 -2.050 5.766 504 HB THR 74 HB THR 74 1.921 -4.929 6.644 505 HG1 THR 74 1HG THR 74 0.767 -2.896 7.602 506 HG21 THR 74 3HG2 THR 74 3.928 -4.617 7.948 507 HG22 THR 74 1HG2 THR 74 4.077 -2.951 7.390 508 HG23 THR 74 2HG2 THR 74 4.290 -4.284 6.254 509 H LEU 75 H LEU 75 3.785 -1.726 4.404 510 HA LEU 75 HA LEU 75 4.365 -3.719 2.354 511 HB2 LEU 75 1HB LEU 75 4.215 -1.677 1.327 512 HB3 LEU 75 2HB LEU 75 4.897 -0.814 2.705 513 HG LEU 75 HG LEU 75 7.127 -1.838 2.065 514 HD11 LEU 75 1HD1 LEU 75 6.942 -3.509 0.579 515 HD12 LEU 75 2HD1 LEU 75 6.916 -2.208 -0.611 516 HD13 LEU 75 3HD1 LEU 75 5.403 -2.920 -0.051 517 HD21 LEU 75 3HD2 LEU 75 5.861 0.470 1.259 518 HD22 LEU 75 1HD2 LEU 75 6.455 -0.214 -0.254 519 HD23 LEU 75 2HD2 LEU 75 7.577 0.107 1.069 520 H THR 76 H THR 76 5.772 -5.244 2.917 521 HA THR 76 HA THR 76 7.940 -4.633 4.770 522 HB THR 76 HB THR 76 7.404 -7.322 3.523 523 HG1 THR 76 1HG THR 76 5.967 -7.725 5.188 524 HG21 THR 76 3HG2 THR 76 9.514 -7.056 4.730 525 HG22 THR 76 1HG2 THR 76 8.429 -8.143 5.595 526 HG23 THR 76 2HG2 THR 76 8.639 -6.482 6.149 527 H VAL 77 H VAL 77 9.768 -3.860 3.953 528 HA VAL 77 HA VAL 77 10.728 -4.949 1.386 529 HB VAL 77 HB VAL 77 11.563 -2.879 0.712 530 HG11 VAL 77 1HG1 VAL 77 9.600 -1.925 0.274 531 HG12 VAL 77 2HG1 VAL 77 8.877 -3.098 1.377 532 HG13 VAL 77 3HG1 VAL 77 9.349 -1.504 1.968 533 HG21 VAL 77 3HG2 VAL 77 12.720 -2.242 2.726 534 HG22 VAL 77 1HG2 VAL 77 11.692 -0.905 2.210 535 HG23 VAL 77 2HG2 VAL 77 11.193 -1.934 3.553 536 H LYS 78 H LYS 78 13.074 -4.939 1.120 537 HA LYS 78 HA LYS 78 14.596 -4.895 3.623 538 HB2 LYS 78 1HB LYS 78 14.119 -7.244 1.861 539 HB3 LYS 78 2HB LYS 78 15.734 -7.050 2.529 540 HG2 LYS 78 1HG LYS 78 14.957 -7.224 4.739 541 HG3 LYS 78 2HG LYS 78 13.277 -6.991 4.251 542 HD2 LYS 78 1HD LYS 78 13.045 -9.148 3.529 543 HD3 LYS 78 2HD LYS 78 14.751 -9.304 3.105 544 HE2 LYS 78 1HE LYS 78 13.769 -9.130 5.945 545 HE3 LYS 78 2HE LYS 78 13.969 -10.658 5.091 546 HZ1 LYS 78 3HZ LYS 78 16.127 -8.670 5.550 547 HZ2 LYS 78 1HZ LYS 78 16.301 -10.178 4.804 548 HZ3 LYS 78 2HZ LYS 78 15.906 -10.088 6.446 549 H ASP 79 H ASP 79 16.741 -4.341 3.408 550 HA ASP 79 HA ASP 79 17.492 -3.276 0.788 551 HB2 ASP 79 1HB ASP 79 17.586 -2.000 3.093 552 HB3 ASP 79 2HB ASP 79 19.128 -2.837 3.253 553 H GLU 80 H GLU 80 20.129 -3.261 0.718 554 HA GLU 80 HA GLU 80 20.840 -5.865 -0.018 555 HB2 GLU 80 1HB GLU 80 21.884 -3.629 -0.738 556 HB3 GLU 80 2HB GLU 80 22.845 -3.748 0.730 557 HG2 GLU 80 1HG GLU 80 23.511 -6.070 -0.143 558 HG3 GLU 80 2HG GLU 80 22.888 -5.504 -1.691 559 H ARG 81 H ARG 81 21.221 -4.128 2.995 560 HA ARG 81 HA ARG 81 22.928 -6.163 4.149 561 HB2 ARG 81 1HB ARG 81 21.739 -3.592 5.152 562 HB3 ARG 81 2HB ARG 81 22.477 -4.735 6.266 563 HG2 ARG 81 1HG ARG 81 24.587 -4.569 5.089 564 HG3 ARG 81 2HG ARG 81 23.858 -3.491 3.897 565 HD2 ARG 81 1HD ARG 81 24.110 -2.925 6.849 566 HD3 ARG 81 2HD ARG 81 25.157 -2.270 5.591 567 HE ARG 81 HE ARG 81 22.602 -1.578 4.856 568 HH11 ARG 81 2HH1 ARG 81 24.662 -1.038 7.610 569 HH12 ARG 81 1HH1 ARG 81 23.956 0.495 8.001 570 HH21 ARG 81 2HH2 ARG 81 21.665 0.439 5.361 571 HH22 ARG 81 1HH2 ARG 81 22.251 1.334 6.722 572 H ASN 82 H ASN 82 20.082 -6.677 3.236 573 HA ASN 82 HA ASN 82 18.255 -7.860 3.901 574 HB2 ASN 82 1HB ASN 82 20.413 -8.871 5.729 575 HB3 ASN 82 2HB ASN 82 18.763 -9.464 5.891 576 HD21 ASN 82 1HD2 ASN 82 21.667 -10.045 4.493 577 HD22 ASN 82 2HD2 ASN 82 21.163 -11.038 3.173 578 H LEU 83 H LEU 83 18.691 -5.189 5.055 579 HA LEU 83 HA LEU 83 17.896 -5.176 7.776 580 HB2 LEU 83 1HB LEU 83 17.936 -3.129 5.592 581 HB3 LEU 83 2HB LEU 83 17.187 -2.766 7.146 582 HG LEU 83 HG LEU 83 19.991 -3.779 7.103 583 HD11 LEU 83 1HD1 LEU 83 19.382 -0.864 6.746 584 HD12 LEU 83 2HD1 LEU 83 19.702 -1.923 5.374 585 HD13 LEU 83 3HD1 LEU 83 20.932 -1.695 6.616 586 HD21 LEU 83 3HD2 LEU 83 18.397 -3.190 9.129 587 HD22 LEU 83 1HD2 LEU 83 18.981 -1.559 8.799 588 HD23 LEU 83 2HD2 LEU 83 20.126 -2.845 9.180 589 H GLN 84 H GLN 84 15.959 -5.453 8.669 590 HA GLN 84 HA GLN 84 13.649 -5.795 6.926 591 HB2 GLN 84 1HB GLN 84 14.390 -7.372 8.870 592 HB3 GLN 84 2HB GLN 84 13.592 -6.189 9.897 593 HG2 GLN 84 1HG GLN 84 11.623 -6.538 8.182 594 HG3 GLN 84 2HG GLN 84 12.436 -8.081 7.925 595 HE21 GLN 84 1HE2 GLN 84 10.348 -6.301 9.903 596 HE22 GLN 84 2HE2 GLN 84 10.173 -7.455 11.176 597 H SER 85 H SER 85 12.369 -4.126 6.529 598 HA SER 85 HA SER 85 11.498 -2.404 8.689 599 HB2 SER 85 1HB SER 85 13.096 -1.367 6.346 600 HB3 SER 85 2HB SER 85 12.042 -0.332 7.309 601 HG SER 85 HG SER 85 14.247 -1.847 8.260 602 H GLN 86 H GLN 86 9.379 -2.204 8.476 603 HA GLN 86 HA GLN 86 8.233 -2.091 5.767 604 HB2 GLN 86 1HB GLN 86 6.337 -3.420 6.514 605 HB3 GLN 86 2HB GLN 86 7.834 -4.308 6.762 606 HG2 GLN 86 1HG GLN 86 7.721 -3.349 9.161 607 HG3 GLN 86 2HG GLN 86 6.025 -3.056 8.780 608 HE21 GLN 86 1HE2 GLN 86 8.290 -5.697 8.077 609 HE22 GLN 86 2HE2 GLN 86 7.292 -6.952 8.721 610 H SER 87 H SER 87 6.272 -0.903 5.557 611 HA SER 87 HA SER 87 5.648 0.873 7.816 612 HB2 SER 87 1HB SER 87 7.124 1.862 5.884 613 HB3 SER 87 2HB SER 87 5.592 1.936 5.012 614 HG SER 87 HG SER 87 6.409 3.764 6.532 615 H SER 88 H SER 88 3.523 1.305 8.134 616 HA SER 88 HA SER 88 1.634 -0.122 6.404 617 HB2 SER 88 1HB SER 88 0.082 -0.024 8.261 618 HB3 SER 88 2HB SER 88 1.636 -0.608 8.855 619 HG SER 88 HG SER 88 2.053 1.466 9.654 620 H VAL 89 H VAL 89 -0.474 0.904 5.987 621 HA VAL 89 HA VAL 89 -0.394 3.835 5.938 622 HB VAL 89 HB VAL 89 0.390 3.197 3.744 623 HG11 VAL 89 1HG1 VAL 89 -1.923 1.906 2.667 624 HG12 VAL 89 2HG1 VAL 89 -0.256 1.330 2.732 625 HG13 VAL 89 3HG1 VAL 89 -1.354 1.010 4.075 626 HG21 VAL 89 3HG2 VAL 89 -2.376 4.295 3.982 627 HG22 VAL 89 1HG2 VAL 89 -0.879 5.105 3.518 628 HG23 VAL 89 2HG2 VAL 89 -1.684 4.023 2.383 629 H ASN 90 H ASN 90 -2.270 4.741 6.509 630 HA ASN 90 HA ASN 90 -4.526 3.017 7.089 631 HB2 ASN 90 1HB ASN 90 -3.738 5.811 7.777 632 HB3 ASN 90 2HB ASN 90 -5.451 5.402 7.822 633 HD21 ASN 90 1HD2 ASN 90 -3.657 6.120 9.993 634 HD22 ASN 90 2HD2 ASN 90 -3.699 4.801 11.109 635 H VAL 91 H VAL 91 -5.789 2.504 5.415 636 HA VAL 91 HA VAL 91 -6.423 4.566 3.422 637 HB VAL 91 HB VAL 91 -6.830 1.575 3.292 638 HG11 VAL 91 1HG1 VAL 91 -8.367 3.317 2.002 639 HG12 VAL 91 2HG1 VAL 91 -6.998 3.304 0.888 640 HG13 VAL 91 3HG1 VAL 91 -7.842 1.802 1.267 641 HG21 VAL 91 3HG2 VAL 91 -4.474 2.897 3.065 642 HG22 VAL 91 1HG2 VAL 91 -4.848 1.383 2.243 643 HG23 VAL 91 2HG2 VAL 91 -5.031 2.916 1.392 644 H ILE 92 H ILE 92 -8.131 5.711 4.142 645 HA ILE 92 HA ILE 92 -10.392 4.315 5.360 646 HB ILE 92 HB ILE 92 -9.887 7.276 5.039 647 HG12 ILE 92 1HG1 ILE 92 -9.929 5.864 7.670 648 HG13 ILE 92 2HG1 ILE 92 -8.491 5.715 6.666 649 HG21 ILE 92 1HG2 ILE 92 -12.312 6.280 5.209 650 HG22 ILE 92 2HG2 ILE 92 -11.899 6.142 6.918 651 HG23 ILE 92 3HG2 ILE 92 -11.857 7.717 6.124 652 HD11 ILE 92 3HD1 ILE 92 -9.312 7.870 8.353 653 HD12 ILE 92 1HD1 ILE 92 -7.788 7.635 7.498 654 HD13 ILE 92 2HD1 ILE 92 -9.136 8.439 6.693 655 H VAL 93 H VAL 93 -12.230 3.911 4.310 656 HA VAL 93 HA VAL 93 -12.602 5.133 1.654 657 HB VAL 93 HB VAL 93 -13.557 2.469 2.708 658 HG11 VAL 93 1HG1 VAL 93 -15.340 3.082 1.380 659 HG12 VAL 93 2HG1 VAL 93 -14.334 4.028 0.281 660 HG13 VAL 93 3HG1 VAL 93 -14.295 2.266 0.217 661 HG21 VAL 93 3HG2 VAL 93 -11.673 3.178 0.460 662 HG22 VAL 93 1HG2 VAL 93 -11.211 2.525 2.032 663 HG23 VAL 93 2HG2 VAL 93 -12.168 1.548 0.918 664 H LYS 94 H LYS 94 -14.310 6.402 1.340 665 HA LYS 94 HA LYS 94 -16.488 6.324 3.325 666 HB2 LYS 94 1HB LYS 94 -15.265 8.660 1.862 667 HB3 LYS 94 2HB LYS 94 -16.824 8.764 2.669 668 HG2 LYS 94 1HG LYS 94 -15.904 8.629 4.766 669 HG3 LYS 94 2HG LYS 94 -14.467 7.775 4.199 670 HD2 LYS 94 1HD LYS 94 -13.728 9.861 3.080 671 HD3 LYS 94 2HD LYS 94 -15.120 10.692 3.779 672 HE2 LYS 94 1HE LYS 94 -14.309 10.281 6.006 673 HE3 LYS 94 2HE LYS 94 -13.000 9.275 5.388 674 HZ1 LYS 94 3HZ LYS 94 -13.142 12.123 5.636 675 HZ2 LYS 94 1HZ LYS 94 -12.685 11.641 4.079 676 HZ3 LYS 94 2HZ LYS 94 -11.792 11.126 5.420 677 H GLU 95 H GLU 95 -18.554 7.362 2.406 678 HA GLU 95 HA GLU 95 -19.149 5.985 -0.088 679 HB2 GLU 95 1HB GLU 95 -20.744 7.090 2.168 680 HB3 GLU 95 2HB GLU 95 -21.519 7.013 0.591 681 HG2 GLU 95 1HG GLU 95 -20.126 4.592 1.605 682 HG3 GLU 95 2HG GLU 95 -21.684 5.030 2.305 683 H GLU 96 H GLU 96 -20.612 7.112 -1.668 684 HA GLU 96 HA GLU 96 -19.346 9.346 -2.752 685 HB2 GLU 96 1HB GLU 96 -20.784 7.787 -4.028 686 HB3 GLU 96 2HB GLU 96 -22.195 8.449 -3.215 687 HG2 GLU 96 1HG GLU 96 -21.546 10.689 -4.170 688 HG3 GLU 96 2HG GLU 96 -20.370 9.827 -5.160 689 H SER 97 H SER 97 -19.858 11.531 -2.832 690 HA SER 97 HA SER 97 -21.964 12.504 -1.046 691 HB2 SER 97 1HB SER 97 -19.656 12.407 0.107 692 HB3 SER 97 2HB SER 97 -19.221 13.746 -0.955 693 HG SER 97 HG SER 97 -20.482 13.897 1.327 694 H GLY 98 H GLY 98 -23.162 13.958 -2.070 695 HA2 GLY 98 1HA GLY 98 -23.248 16.138 -3.164 696 HA3 GLY 98 2HA GLY 98 -21.871 15.632 -4.132 697 HA PRO 99 HA PRO 99 -26.146 14.542 -6.047 698 HB2 PRO 99 1HB PRO 99 -26.619 16.768 -7.527 699 HB3 PRO 99 2HB PRO 99 -27.222 16.565 -5.878 700 HG2 PRO 99 1HG PRO 99 -24.822 18.070 -6.846 701 HG3 PRO 99 2HG PRO 99 -26.024 18.543 -5.632 702 HD2 PRO 99 1HD PRO 99 -23.591 17.559 -4.966 703 HD3 PRO 99 2HD PRO 99 -25.039 17.275 -3.979 704 H SER 100 H SER 100 -23.124 15.858 -7.049 705 HA SER 100 HA SER 100 -23.182 14.210 -9.445 706 HB2 SER 100 1HB SER 100 -23.998 16.577 -10.017 707 HB3 SER 100 2HB SER 100 -22.341 17.094 -9.703 708 HG SER 100 HG SER 100 -22.779 14.928 -11.423 709 H SER 101 H SER 101 -21.145 13.597 -10.176 710 HA SER 101 HA SER 101 -18.792 14.649 -8.819 711 HB2 SER 101 1HB SER 101 -19.880 12.590 -7.582 712 HB3 SER 101 2HB SER 101 -19.087 11.670 -8.861 713 HG SER 101 HG SER 101 -17.812 12.004 -6.918 714 H GLY 102 H GLY 102 -17.159 14.852 -10.207 715 HA2 GLY 102 1HA GLY 102 -15.677 13.985 -11.872 716 HA3 GLY 102 2HA GLY 102 -17.002 13.013 -12.496 Start of MODEL 10 1 H1 GLY 1 H GLY 1 34.220 6.105 3.943 2 HA2 GLY 1 1HA GLY 1 32.953 5.984 6.571 3 HA3 GLY 1 2HA GLY 1 33.948 7.395 6.240 4 H SER 2 H SER 2 32.642 9.062 5.890 5 HA SER 2 HA SER 2 30.800 10.268 5.246 6 HB2 SER 2 1HB SER 2 31.468 8.764 2.706 7 HB3 SER 2 2HB SER 2 30.404 10.169 2.782 8 HG SER 2 HG SER 2 32.384 10.970 2.299 9 H SER 3 H SER 3 29.999 8.030 6.652 10 HA SER 3 HA SER 3 27.798 6.841 5.143 11 HB2 SER 3 1HB SER 3 28.732 6.254 7.963 12 HB3 SER 3 2HB SER 3 27.554 5.322 7.038 13 HG SER 3 HG SER 3 29.154 4.658 5.671 14 H GLY 4 H GLY 4 25.718 7.392 5.407 15 HA2 GLY 4 1HA GLY 4 24.487 8.318 7.715 16 HA3 GLY 4 2HA GLY 4 25.041 9.743 6.849 17 H SER 5 H SER 5 23.155 6.766 6.414 18 HA SER 5 HA SER 5 21.703 8.000 4.204 19 HB2 SER 5 1HB SER 5 21.505 5.203 5.347 20 HB3 SER 5 2HB SER 5 20.703 5.777 3.885 21 HG SER 5 HG SER 5 22.588 5.816 2.839 22 H SER 6 H SER 6 19.569 8.546 4.257 23 HA SER 6 HA SER 6 18.175 8.228 6.834 24 HB2 SER 6 1HB SER 6 18.399 10.652 5.062 25 HB3 SER 6 2HB SER 6 17.053 10.464 6.186 26 HG SER 6 HG SER 6 19.624 10.053 7.178 27 H GLY 7 H GLY 7 16.375 7.080 6.657 28 HA2 GLY 7 1HA GLY 7 14.142 6.913 5.706 29 HA3 GLY 7 2HA GLY 7 14.853 7.242 4.133 30 H GLN 8 H GLN 8 13.507 4.882 5.915 31 HA GLN 8 HA GLN 8 15.143 2.770 4.673 32 HB2 GLN 8 1HB GLN 8 13.400 2.619 7.138 33 HB3 GLN 8 2HB GLN 8 14.274 1.267 6.432 34 HG2 GLN 8 1HG GLN 8 15.815 3.695 7.162 35 HG3 GLN 8 2HG GLN 8 15.237 2.650 8.459 36 HE21 GLN 8 1HE2 GLN 8 16.864 1.451 9.126 37 HE22 GLN 8 2HE2 GLN 8 17.983 0.602 8.120 38 H ALA 9 H ALA 9 11.813 3.059 5.920 39 HA ALA 9 HA ALA 9 10.818 2.161 3.309 40 HB1 ALA 9 3HB ALA 9 10.671 0.117 4.320 41 HB2 ALA 9 1HB ALA 9 10.457 0.804 5.930 42 HB3 ALA 9 2HB ALA 9 9.113 0.798 4.788 43 H ASP 10 H ASP 10 9.184 3.369 2.605 44 HA ASP 10 HA ASP 10 7.494 4.763 4.563 45 HB2 ASP 10 1HB ASP 10 8.796 5.990 2.125 46 HB3 ASP 10 2HB ASP 10 7.509 6.762 3.048 47 H ALA 11 H ALA 11 5.940 3.121 4.124 48 HA ALA 11 HA ALA 11 4.971 2.267 1.710 49 HB1 ALA 11 3HB ALA 11 2.846 1.825 2.844 50 HB2 ALA 11 1HB ALA 11 4.225 1.353 3.838 51 HB3 ALA 11 2HB ALA 11 3.354 2.846 4.189 52 H GLY 12 H GLY 12 4.277 5.301 3.361 53 HA2 GLY 12 1HA GLY 12 3.894 7.159 1.696 54 HA3 GLY 12 2HA GLY 12 2.642 6.116 1.040 55 HA PRO 13 HA PRO 13 1.025 8.990 4.452 56 HB2 PRO 13 1HB PRO 13 -0.427 10.653 2.872 57 HB3 PRO 13 2HB PRO 13 1.262 10.961 3.295 58 HG2 PRO 13 1HG PRO 13 0.120 9.780 0.792 59 HG3 PRO 13 2HG PRO 13 1.415 10.978 0.974 60 HD2 PRO 13 1HD PRO 13 1.910 8.358 0.501 61 HD3 PRO 13 2HD PRO 13 2.999 9.377 1.465 62 H ASP 14 H ASP 14 -1.303 9.360 4.942 63 HA ASP 14 HA ASP 14 -2.807 7.054 4.756 64 HB2 ASP 14 1HB ASP 14 -3.613 8.413 6.412 65 HB3 ASP 14 2HB ASP 14 -3.401 9.880 5.461 66 H LYS 15 H LYS 15 -4.989 6.817 3.729 67 HA LYS 15 HA LYS 15 -5.059 8.010 1.039 68 HB2 LYS 15 1HB LYS 15 -5.574 5.115 1.744 69 HB3 LYS 15 2HB LYS 15 -5.841 5.828 0.159 70 HG2 LYS 15 1HG LYS 15 -3.144 6.092 1.371 71 HG3 LYS 15 2HG LYS 15 -3.630 4.516 0.741 72 HD2 LYS 15 1HD LYS 15 -3.746 5.269 -1.428 73 HD3 LYS 15 2HD LYS 15 -4.064 6.937 -0.945 74 HE2 LYS 15 1HE LYS 15 -1.711 7.051 -0.104 75 HE3 LYS 15 2HE LYS 15 -1.438 5.460 -0.815 76 HZ1 LYS 15 3HZ LYS 15 -0.811 7.517 -2.171 77 HZ2 LYS 15 1HZ LYS 15 -2.471 7.692 -2.447 78 HZ3 LYS 15 2HZ LYS 15 -1.672 6.289 -2.953 79 H GLU 16 H GLU 16 -7.009 8.712 0.362 80 HA GLU 16 HA GLU 16 -9.382 7.939 1.915 81 HB2 GLU 16 1HB GLU 16 -8.291 10.291 2.403 82 HB3 GLU 16 2HB GLU 16 -9.127 10.746 0.925 83 HG2 GLU 16 1HG GLU 16 -11.248 10.062 1.889 84 HG3 GLU 16 2HG GLU 16 -10.426 9.548 3.361 85 H LEU 17 H LEU 17 -10.472 6.768 0.450 86 HA LEU 17 HA LEU 17 -10.743 7.824 -2.278 87 HB2 LEU 17 1HB LEU 17 -11.487 5.078 -1.297 88 HB3 LEU 17 2HB LEU 17 -11.336 5.618 -2.968 89 HG LEU 17 HG LEU 17 -8.970 5.580 -1.120 90 HD11 LEU 17 1HD1 LEU 17 -10.266 3.324 -1.378 91 HD12 LEU 17 2HD1 LEU 17 -8.511 3.370 -1.538 92 HD13 LEU 17 3HD1 LEU 17 -9.526 3.316 -2.979 93 HD21 LEU 17 3HD2 LEU 17 -8.577 4.940 -3.914 94 HD22 LEU 17 1HD2 LEU 17 -7.824 6.191 -2.926 95 HD23 LEU 17 2HD2 LEU 17 -9.375 6.499 -3.707 96 H THR 18 H THR 18 -12.841 7.696 -3.314 97 HA THR 18 HA THR 18 -15.113 7.702 -1.449 98 HB THR 18 HB THR 18 -14.850 9.735 -3.662 99 HG1 THR 18 1HG THR 18 -14.290 11.200 -1.956 100 HG21 THR 18 3HG2 THR 18 -17.117 9.392 -2.994 101 HG22 THR 18 1HG2 THR 18 -16.580 10.901 -2.258 102 HG23 THR 18 2HG2 THR 18 -16.682 9.434 -1.286 103 H LEU 19 H LEU 19 -16.579 6.281 -2.096 104 HA LEU 19 HA LEU 19 -16.562 4.750 -4.346 105 HB2 LEU 19 1HB LEU 19 -18.768 5.657 -2.554 106 HB3 LEU 19 2HB LEU 19 -19.158 4.722 -3.996 107 HG LEU 19 HG LEU 19 -19.024 3.338 -1.966 108 HD11 LEU 19 1HD1 LEU 19 -17.566 1.609 -2.887 109 HD12 LEU 19 2HD1 LEU 19 -16.856 2.788 -3.989 110 HD13 LEU 19 3HD1 LEU 19 -18.557 2.350 -4.144 111 HD21 LEU 19 3HD2 LEU 19 -16.223 4.417 -1.899 112 HD22 LEU 19 1HD2 LEU 19 -16.652 2.889 -1.128 113 HD23 LEU 19 2HD2 LEU 19 -17.428 4.385 -0.611 114 HA PRO 20 HA PRO 20 -18.426 3.746 -5.567 115 HB2 PRO 20 1HB PRO 20 -18.056 3.075 -8.172 116 HB3 PRO 20 2HB PRO 20 -19.598 3.666 -7.542 117 HG2 PRO 20 1HG PRO 20 -17.461 5.152 -9.022 118 HG3 PRO 20 2HG PRO 20 -19.221 5.227 -9.224 119 HD2 PRO 20 1HD PRO 20 -17.832 7.099 -7.848 120 HD3 PRO 20 2HD PRO 20 -19.494 6.641 -7.425 121 H VAL 21 H VAL 21 -15.785 5.641 -6.465 122 HA VAL 21 HA VAL 21 -13.847 3.949 -7.395 123 HB VAL 21 HB VAL 21 -13.421 6.030 -5.246 124 HG11 VAL 21 1HG1 VAL 21 -11.635 4.231 -6.509 125 HG12 VAL 21 2HG1 VAL 21 -11.290 5.849 -7.122 126 HG13 VAL 21 3HG1 VAL 21 -11.262 5.537 -5.386 127 HG21 VAL 21 3HG2 VAL 21 -14.294 7.394 -6.817 128 HG22 VAL 21 1HG2 VAL 21 -12.700 7.232 -7.554 129 HG23 VAL 21 2HG2 VAL 21 -14.038 6.232 -8.119 130 H ASP 22 H ASP 22 -13.830 1.870 -6.669 131 HA ASP 22 HA ASP 22 -13.282 1.467 -3.801 132 HB2 ASP 22 1HB ASP 22 -14.197 -0.818 -4.099 133 HB3 ASP 22 2HB ASP 22 -15.385 0.436 -4.442 134 H SER 23 H SER 23 -11.231 2.156 -5.578 135 HA SER 23 HA SER 23 -9.470 -0.090 -5.198 136 HB2 SER 23 1HB SER 23 -8.897 -0.523 -7.449 137 HB3 SER 23 2HB SER 23 -10.659 -0.463 -7.443 138 HG SER 23 HG SER 23 -8.978 1.008 -8.869 139 H THR 24 H THR 24 -7.397 0.552 -4.927 140 HA THR 24 HA THR 24 -6.627 3.247 -5.787 141 HB THR 24 HB THR 24 -7.407 3.266 -3.369 142 HG1 THR 24 1HG THR 24 -5.230 4.318 -2.766 143 HG21 THR 24 3HG2 THR 24 -6.558 1.196 -2.555 144 HG22 THR 24 1HG2 THR 24 -5.652 2.471 -1.741 145 HG23 THR 24 2HG2 THR 24 -4.920 1.586 -3.080 146 H THR 25 H THR 25 -4.190 3.576 -5.238 147 HA THR 25 HA THR 25 -2.751 1.073 -5.838 148 HB THR 25 HB THR 25 -1.150 2.425 -7.177 149 HG1 THR 25 1HG THR 25 -1.786 4.472 -6.168 150 HG21 THR 25 3HG2 THR 25 -2.453 2.458 -9.142 151 HG22 THR 25 1HG2 THR 25 -3.937 2.794 -8.251 152 HG23 THR 25 2HG2 THR 25 -3.178 1.206 -8.134 153 H LEU 26 H LEU 26 -1.164 0.579 -4.471 154 HA LEU 26 HA LEU 26 -0.231 2.660 -2.615 155 HB2 LEU 26 1HB LEU 26 -0.028 -0.328 -2.299 156 HB3 LEU 26 2HB LEU 26 0.327 0.896 -1.082 157 HG LEU 26 HG LEU 26 -2.432 0.587 -2.223 158 HD11 LEU 26 1HD1 LEU 26 -2.980 -0.873 -0.351 159 HD12 LEU 26 2HD1 LEU 26 -1.289 -0.884 0.149 160 HD13 LEU 26 3HD1 LEU 26 -1.758 -1.608 -1.389 161 HD21 LEU 26 3HD2 LEU 26 -1.981 1.338 0.577 162 HD22 LEU 26 1HD2 LEU 26 -3.056 2.041 -0.631 163 HD23 LEU 26 2HD2 LEU 26 -1.349 2.482 -0.607 164 H ASP 27 H ASP 27 1.380 3.521 -3.948 165 HA ASP 27 HA ASP 27 3.496 1.751 -4.888 166 HB2 ASP 27 1HB ASP 27 4.261 3.544 -6.200 167 HB3 ASP 27 2HB ASP 27 2.508 3.711 -6.231 168 H GLY 28 H GLY 28 5.437 1.530 -3.944 169 HA2 GLY 28 1HA GLY 28 6.059 3.333 -1.686 170 HA3 GLY 28 2HA GLY 28 6.373 1.605 -1.635 171 H SER 29 H SER 29 6.938 3.753 -4.376 172 HA SER 29 HA SER 29 9.585 2.776 -4.732 173 HB2 SER 29 1HB SER 29 8.458 3.469 -6.698 174 HB3 SER 29 2HB SER 29 8.025 5.028 -5.996 175 HG SER 29 HG SER 29 9.864 4.954 -7.533 176 H LYS 30 H LYS 30 8.210 5.422 -2.983 177 HA LYS 30 HA LYS 30 10.782 6.758 -2.672 178 HB2 LYS 30 1HB LYS 30 7.981 7.425 -1.780 179 HB3 LYS 30 2HB LYS 30 9.380 8.338 -1.231 180 HG2 LYS 30 1HG LYS 30 9.906 8.636 -3.729 181 HG3 LYS 30 2HG LYS 30 8.235 8.129 -3.989 182 HD2 LYS 30 1HD LYS 30 7.370 9.993 -2.895 183 HD3 LYS 30 2HD LYS 30 8.883 10.316 -2.046 184 HE2 LYS 30 1HE LYS 30 8.528 10.576 -5.027 185 HE3 LYS 30 2HE LYS 30 8.363 11.917 -3.894 186 HZ1 LYS 30 3HZ LYS 30 10.564 11.892 -4.835 187 HZ2 LYS 30 1HZ LYS 30 10.807 10.292 -4.343 188 HZ3 LYS 30 2HZ LYS 30 10.660 11.519 -3.188 189 H SER 31 H SER 31 10.933 4.254 -1.647 190 HA SER 31 HA SER 31 10.415 4.376 1.213 191 HB2 SER 31 1HB SER 31 11.291 2.239 -0.693 192 HB3 SER 31 2HB SER 31 11.622 2.042 1.028 193 HG SER 31 HG SER 31 9.051 2.661 0.014 194 H SER 32 H SER 32 13.211 3.999 -0.952 195 HA SER 32 HA SER 32 14.906 5.072 1.204 196 HB2 SER 32 1HB SER 32 16.635 3.533 0.733 197 HB3 SER 32 2HB SER 32 15.165 2.559 0.731 198 HG SER 32 HG SER 32 15.165 2.836 -1.592 199 H ASP 33 H ASP 33 16.876 6.131 0.449 200 HA ASP 33 HA ASP 33 16.493 7.353 -2.206 201 HB2 ASP 33 1HB ASP 33 16.201 8.946 -0.358 202 HB3 ASP 33 2HB ASP 33 17.804 8.541 0.249 203 H ASP 34 H ASP 34 19.116 6.828 0.158 204 HA ASP 34 HA ASP 34 21.051 6.622 -1.988 205 HB2 ASP 34 1HB ASP 34 21.189 6.728 0.999 206 HB3 ASP 34 2HB ASP 34 22.565 6.093 0.102 207 H GLN 35 H GLN 35 19.875 4.527 0.641 208 HA GLN 35 HA GLN 35 21.337 2.248 -0.029 209 HB2 GLN 35 1HB GLN 35 18.642 2.525 1.303 210 HB3 GLN 35 2HB GLN 35 19.517 1.004 1.187 211 HG2 GLN 35 1HG GLN 35 21.237 1.759 2.591 212 HG3 GLN 35 2HG GLN 35 20.729 3.441 2.444 213 HE21 GLN 35 1HE2 GLN 35 20.835 0.967 4.513 214 HE22 GLN 35 2HE2 GLN 35 19.463 1.320 5.501 215 H LYS 36 H LYS 36 20.214 0.138 -0.739 216 HA LYS 36 HA LYS 36 18.695 0.708 -3.199 217 HB2 LYS 36 1HB LYS 36 20.671 -1.487 -2.573 218 HB3 LYS 36 2HB LYS 36 19.643 -1.493 -4.000 219 HG2 LYS 36 1HG LYS 36 20.691 0.879 -4.383 220 HG3 LYS 36 2HG LYS 36 21.967 0.244 -3.341 221 HD2 LYS 36 1HD LYS 36 20.969 -1.300 -5.715 222 HD3 LYS 36 2HD LYS 36 22.213 -0.058 -5.882 223 HE2 LYS 36 1HE LYS 36 23.472 -1.975 -5.592 224 HE3 LYS 36 2HE LYS 36 23.384 -1.338 -3.951 225 HZ1 LYS 36 3HZ LYS 36 21.379 -2.854 -3.699 226 HZ2 LYS 36 1HZ LYS 36 22.900 -3.594 -3.745 227 HZ3 LYS 36 2HZ LYS 36 21.907 -3.618 -5.113 228 H ILE 37 H ILE 37 17.312 -1.154 -3.935 229 HA ILE 37 HA ILE 37 16.251 -2.769 -1.742 230 HB ILE 37 HB ILE 37 14.490 -1.032 -3.474 231 HG12 ILE 37 1HG1 ILE 37 15.865 0.061 -1.581 232 HG13 ILE 37 2HG1 ILE 37 14.131 0.363 -1.623 233 HG21 ILE 37 1HG2 ILE 37 12.780 -1.845 -1.707 234 HG22 ILE 37 2HG2 ILE 37 13.218 -2.916 -3.037 235 HG23 ILE 37 3HG2 ILE 37 13.932 -3.154 -1.443 236 HD11 ILE 37 3HD1 ILE 37 13.849 -0.532 0.383 237 HD12 ILE 37 1HD1 ILE 37 14.768 -1.974 -0.049 238 HD13 ILE 37 2HD1 ILE 37 15.607 -0.535 0.532 239 H ILE 38 H ILE 38 16.026 -4.797 -2.393 240 HA ILE 38 HA ILE 38 15.442 -5.312 -5.235 241 HB ILE 38 HB ILE 38 16.795 -7.407 -5.015 242 HG12 ILE 38 1HG1 ILE 38 18.083 -6.130 -2.620 243 HG13 ILE 38 2HG1 ILE 38 16.712 -7.216 -2.426 244 HG21 ILE 38 1HG2 ILE 38 17.735 -4.676 -5.224 245 HG22 ILE 38 2HG2 ILE 38 18.999 -5.768 -4.662 246 HG23 ILE 38 3HG2 ILE 38 18.165 -6.094 -6.181 247 HD11 ILE 38 3HD1 ILE 38 18.941 -8.187 -4.096 248 HD12 ILE 38 1HD1 ILE 38 19.245 -8.035 -2.366 249 HD13 ILE 38 2HD1 ILE 38 17.921 -9.048 -2.943 250 H SER 39 H SER 39 13.703 -5.159 -2.832 251 HA SER 39 HA SER 39 12.268 -7.627 -3.297 252 HB2 SER 39 1HB SER 39 13.951 -8.002 -1.370 253 HB3 SER 39 2HB SER 39 12.892 -6.952 -0.429 254 HG SER 39 HG SER 39 12.459 -9.282 -0.319 255 H TYR 40 H TYR 40 10.088 -7.455 -2.893 256 HA TYR 40 HA TYR 40 9.062 -5.117 -1.502 257 HB2 TYR 40 1HB TYR 40 8.695 -5.609 -4.446 258 HB3 TYR 40 2HB TYR 40 7.501 -4.705 -3.521 259 HD1 TYR 40 1HD TYR 40 8.513 -2.745 -2.053 260 HD2 TYR 40 2HD TYR 40 10.403 -4.438 -5.468 261 HE1 TYR 40 1HE TYR 40 9.849 -0.698 -2.320 262 HE2 TYR 40 2HE TYR 40 11.746 -2.395 -5.744 263 HH TYR 40 HH TYR 40 12.521 -0.438 -3.889 264 H LEU 41 H LEU 41 7.241 -5.572 -0.425 265 HA LEU 41 HA LEU 41 5.528 -7.761 -1.312 266 HB2 LEU 41 1HB LEU 41 7.282 -8.622 0.300 267 HB3 LEU 41 2HB LEU 41 6.507 -7.624 1.529 268 HG LEU 41 HG LEU 41 4.448 -8.914 1.289 269 HD11 LEU 41 1HD1 LEU 41 5.110 -11.194 -0.074 270 HD12 LEU 41 2HD1 LEU 41 5.837 -9.930 -1.066 271 HD13 LEU 41 3HD1 LEU 41 4.113 -9.879 -0.696 272 HD21 LEU 41 3HD2 LEU 41 6.469 -11.053 1.585 273 HD22 LEU 41 1HD2 LEU 41 5.143 -10.585 2.650 274 HD23 LEU 41 2HD2 LEU 41 6.637 -9.647 2.639 275 H TRP 42 H TRP 42 3.402 -7.490 -0.807 276 HA TRP 42 HA TRP 42 2.699 -5.242 0.955 277 HB2 TRP 42 1HB TRP 42 1.800 -5.760 -1.860 278 HB3 TRP 42 2HB TRP 42 0.734 -4.920 -0.737 279 HD1 TRP 42 HD TRP 42 3.923 -4.454 -2.755 280 HE1 TRP 42 1HE TRP 42 4.611 -1.975 -2.670 281 HE3 TRP 42 3HE TRP 42 0.611 -2.812 0.776 282 HZ2 TRP 42 2HZ TRP 42 3.851 0.366 -1.289 283 HZ3 TRP 42 3HZ TRP 42 0.658 -0.439 1.424 284 HH2 TRP 42 HH TRP 42 2.245 1.116 0.412 285 H GLU 43 H GLU 43 1.387 -5.862 2.532 286 HA GLU 43 HA GLU 43 -0.661 -7.876 2.008 287 HB2 GLU 43 1HB GLU 43 1.361 -8.083 4.245 288 HB3 GLU 43 2HB GLU 43 -0.086 -9.073 4.114 289 HG2 GLU 43 1HG GLU 43 0.843 -9.730 1.803 290 HG3 GLU 43 2HG GLU 43 2.370 -9.094 2.411 291 H LYS 44 H LYS 44 -2.503 -7.637 3.215 292 HA LYS 44 HA LYS 44 -2.802 -5.106 4.580 293 HB2 LYS 44 1HB LYS 44 -4.615 -5.663 3.174 294 HB3 LYS 44 2HB LYS 44 -4.704 -7.305 3.798 295 HG2 LYS 44 1HG LYS 44 -5.684 -6.595 5.817 296 HG3 LYS 44 2HG LYS 44 -5.282 -4.905 5.507 297 HD2 LYS 44 1HD LYS 44 -7.519 -4.948 4.959 298 HD3 LYS 44 2HD LYS 44 -6.773 -5.242 3.386 299 HE2 LYS 44 1HE LYS 44 -6.983 -7.762 4.180 300 HE3 LYS 44 2HE LYS 44 -8.287 -7.089 5.157 301 HZ1 LYS 44 3HZ LYS 44 -8.568 -7.910 2.625 302 HZ2 LYS 44 1HZ LYS 44 -8.287 -6.258 2.387 303 HZ3 LYS 44 2HZ LYS 44 -9.570 -6.766 3.366 304 H THR 45 H THR 45 -2.169 -4.946 6.627 305 HA THR 45 HA THR 45 -1.979 -7.183 8.389 306 HB THR 45 HB THR 45 -1.747 -5.151 10.106 307 HG1 THR 45 1HG THR 45 -0.812 -3.907 7.753 308 HG21 THR 45 3HG2 THR 45 0.545 -5.338 8.242 309 HG22 THR 45 1HG2 THR 45 -0.028 -6.852 8.941 310 HG23 THR 45 2HG2 THR 45 0.490 -5.535 9.993 311 H GLN 46 H GLN 46 -4.113 -4.335 8.282 312 HA GLN 46 HA GLN 46 -6.077 -5.867 9.848 313 HB2 GLN 46 1HB GLN 46 -4.972 -3.156 10.353 314 HB3 GLN 46 2HB GLN 46 -6.694 -3.380 10.629 315 HG2 GLN 46 1HG GLN 46 -6.307 -5.049 12.262 316 HG3 GLN 46 2HG GLN 46 -4.600 -5.160 11.839 317 HE21 GLN 46 1HE2 GLN 46 -3.253 -4.129 13.119 318 HE22 GLN 46 2HE2 GLN 46 -3.639 -2.792 14.142 319 H GLY 47 H GLY 47 -8.313 -4.854 9.681 320 HA2 GLY 47 1HA GLY 47 -9.760 -3.406 8.329 321 HA3 GLY 47 2HA GLY 47 -8.715 -3.768 6.963 322 HA PRO 48 HA PRO 48 -12.427 -6.723 7.298 323 HB2 PRO 48 1HB PRO 48 -13.903 -5.722 5.251 324 HB3 PRO 48 2HB PRO 48 -14.083 -5.175 6.922 325 HG2 PRO 48 1HG PRO 48 -12.571 -3.912 4.668 326 HG3 PRO 48 2HG PRO 48 -13.617 -3.149 5.880 327 HD2 PRO 48 1HD PRO 48 -10.915 -3.120 6.061 328 HD3 PRO 48 2HD PRO 48 -11.968 -3.156 7.491 329 H ASP 49 H ASP 49 -11.524 -8.508 6.453 330 HA ASP 49 HA ASP 49 -9.995 -8.639 4.111 331 HB2 ASP 49 1HB ASP 49 -11.345 -10.652 5.858 332 HB3 ASP 49 2HB ASP 49 -10.729 -11.175 4.293 333 H GLY 50 H GLY 50 -10.455 -9.465 2.040 334 HA2 GLY 50 1HA GLY 50 -12.485 -10.541 0.806 335 HA3 GLY 50 2HA GLY 50 -13.236 -9.008 1.222 336 H VAL 51 H VAL 51 -10.703 -7.535 0.864 337 HA VAL 51 HA VAL 51 -11.020 -6.881 -1.878 338 HB VAL 51 HB VAL 51 -9.322 -5.257 -1.575 339 HG11 VAL 51 1HG1 VAL 51 -11.207 -5.692 0.651 340 HG12 VAL 51 2HG1 VAL 51 -9.911 -4.531 0.947 341 HG13 VAL 51 3HG1 VAL 51 -11.008 -4.302 -0.415 342 HG21 VAL 51 3HG2 VAL 51 -8.369 -7.097 0.563 343 HG22 VAL 51 1HG2 VAL 51 -7.460 -6.260 -0.696 344 HG23 VAL 51 2HG2 VAL 51 -8.030 -5.373 0.718 345 H GLN 52 H GLN 52 -9.244 -6.863 -3.473 346 HA GLN 52 HA GLN 52 -7.577 -9.282 -3.242 347 HB2 GLN 52 1HB GLN 52 -9.164 -8.187 -5.533 348 HB3 GLN 52 2HB GLN 52 -7.720 -9.138 -5.856 349 HG2 GLN 52 1HG GLN 52 -9.737 -10.235 -3.973 350 HG3 GLN 52 2HG GLN 52 -10.103 -10.242 -5.698 351 HE21 GLN 52 1HE2 GLN 52 -7.836 -11.339 -3.257 352 HE22 GLN 52 2HE2 GLN 52 -7.214 -12.672 -4.164 353 H LEU 53 H LEU 53 -5.479 -8.874 -3.161 354 HA LEU 53 HA LEU 53 -4.473 -6.284 -4.035 355 HB2 LEU 53 1HB LEU 53 -3.532 -8.443 -2.243 356 HB3 LEU 53 2HB LEU 53 -2.292 -7.507 -3.077 357 HG LEU 53 HG LEU 53 -4.411 -6.021 -1.612 358 HD11 LEU 53 1HD1 LEU 53 -2.031 -7.088 -0.139 359 HD12 LEU 53 2HD1 LEU 53 -3.559 -7.967 -0.173 360 HD13 LEU 53 3HD1 LEU 53 -3.493 -6.339 0.503 361 HD21 LEU 53 3HD2 LEU 53 -2.577 -4.485 -1.208 362 HD22 LEU 53 1HD2 LEU 53 -2.686 -4.867 -2.927 363 HD23 LEU 53 2HD2 LEU 53 -1.438 -5.621 -1.934 364 H GLU 54 H GLU 54 -3.254 -5.958 -5.797 365 HA GLU 54 HA GLU 54 -2.360 -8.329 -7.302 366 HB2 GLU 54 1HB GLU 54 -3.743 -5.842 -8.199 367 HB3 GLU 54 2HB GLU 54 -2.576 -6.582 -9.286 368 HG2 GLU 54 1HG GLU 54 -4.487 -7.605 -9.979 369 HG3 GLU 54 2HG GLU 54 -3.937 -8.759 -8.765 370 H ASN 55 H ASN 55 -0.309 -8.344 -8.090 371 HA ASN 55 HA ASN 55 1.888 -7.795 -8.301 372 HB2 ASN 55 1HB ASN 55 0.494 -5.195 -8.731 373 HB3 ASN 55 2HB ASN 55 2.240 -5.162 -8.499 374 HD21 ASN 55 1HD2 ASN 55 -0.271 -5.650 -10.679 375 HD22 ASN 55 2HD2 ASN 55 0.659 -6.250 -12.005 376 H ALA 56 H ALA 56 0.967 -8.245 -5.710 377 HA ALA 56 HA ALA 56 1.756 -6.238 -3.874 378 HB1 ALA 56 3HB ALA 56 1.729 -9.175 -3.258 379 HB2 ALA 56 1HB ALA 56 1.384 -7.818 -2.186 380 HB3 ALA 56 2HB ALA 56 0.241 -8.250 -3.459 381 H ASN 57 H ASN 57 3.490 -8.691 -5.614 382 HA ASN 57 HA ASN 57 5.854 -8.448 -3.944 383 HB2 ASN 57 1HB ASN 57 5.155 -10.114 -6.352 384 HB3 ASN 57 2HB ASN 57 6.810 -10.012 -5.759 385 HD21 ASN 57 1HD2 ASN 57 3.561 -10.432 -4.387 386 HD22 ASN 57 2HD2 ASN 57 3.985 -11.749 -3.352 387 H SER 58 H SER 58 4.846 -6.115 -5.406 388 HA SER 58 HA SER 58 7.290 -5.519 -6.927 389 HB2 SER 58 1HB SER 58 4.449 -4.887 -7.745 390 HB3 SER 58 2HB SER 58 5.861 -4.128 -8.478 391 HG SER 58 HG SER 58 5.203 -6.887 -8.466 392 H SER 59 H SER 59 7.223 -2.990 -7.415 393 HA SER 59 HA SER 59 7.452 -1.729 -4.887 394 HB2 SER 59 1HB SER 59 8.064 0.260 -6.124 395 HB3 SER 59 2HB SER 59 8.813 -1.137 -6.898 396 HG SER 59 HG SER 59 6.483 0.250 -7.731 397 H VAL 60 H VAL 60 4.986 -1.710 -7.391 398 HA VAL 60 HA VAL 60 3.276 -0.101 -5.607 399 HB VAL 60 HB VAL 60 3.214 -0.158 -8.628 400 HG11 VAL 60 1HG1 VAL 60 1.033 0.145 -7.232 401 HG12 VAL 60 2HG1 VAL 60 1.674 1.762 -6.936 402 HG13 VAL 60 3HG1 VAL 60 1.367 1.222 -8.587 403 HG21 VAL 60 3HG2 VAL 60 4.628 1.507 -6.703 404 HG22 VAL 60 1HG2 VAL 60 4.856 1.345 -8.444 405 HG23 VAL 60 2HG2 VAL 60 3.626 2.441 -7.814 406 H ALA 61 H ALA 61 1.398 -0.984 -5.005 407 HA ALA 61 HA ALA 61 0.522 -3.435 -6.389 408 HB1 ALA 61 3HB ALA 61 1.122 -2.993 -3.648 409 HB2 ALA 61 1HB ALA 61 -0.606 -3.319 -3.792 410 HB3 ALA 61 2HB ALA 61 0.565 -4.473 -4.431 411 H THR 62 H THR 62 -1.843 -3.878 -6.175 412 HA THR 62 HA THR 62 -3.447 -1.418 -6.050 413 HB THR 62 HB THR 62 -3.567 -3.483 -8.255 414 HG1 THR 62 1HG THR 62 -2.030 -1.490 -8.132 415 HG21 THR 62 3HG2 THR 62 -5.800 -2.589 -7.407 416 HG22 THR 62 1HG2 THR 62 -5.465 -2.386 -9.126 417 HG23 THR 62 2HG2 THR 62 -5.282 -1.021 -8.024 418 H VAL 63 H VAL 63 -5.165 -1.634 -4.780 419 HA VAL 63 HA VAL 63 -6.098 -4.353 -4.139 420 HB VAL 63 HB VAL 63 -6.186 -1.817 -2.509 421 HG11 VAL 63 1HG1 VAL 63 -8.308 -2.884 -2.197 422 HG12 VAL 63 2HG1 VAL 63 -7.540 -4.461 -1.994 423 HG13 VAL 63 3HG1 VAL 63 -7.316 -3.205 -0.775 424 HG21 VAL 63 3HG2 VAL 63 -4.546 -4.248 -2.533 425 HG22 VAL 63 1HG2 VAL 63 -4.192 -2.644 -1.893 426 HG23 VAL 63 2HG2 VAL 63 -5.144 -3.783 -0.941 427 H THR 64 H THR 64 -8.036 -4.922 -4.853 428 HA THR 64 HA THR 64 -9.946 -2.797 -5.581 429 HB THR 64 HB THR 64 -10.863 -4.240 -7.273 430 HG1 THR 64 1HG THR 64 -9.284 -6.169 -5.984 431 HG21 THR 64 3HG2 THR 64 -9.153 -4.128 -8.826 432 HG22 THR 64 1HG2 THR 64 -7.924 -4.629 -7.667 433 HG23 THR 64 2HG2 THR 64 -8.587 -2.996 -7.599 434 H GLY 65 H GLY 65 -12.261 -3.461 -5.459 435 HA2 GLY 65 1HA GLY 65 -14.068 -4.359 -4.347 436 HA3 GLY 65 2HA GLY 65 -13.021 -5.667 -3.814 437 H LEU 66 H LEU 66 -12.891 -2.158 -3.240 438 HA LEU 66 HA LEU 66 -12.530 -2.686 -0.396 439 HB2 LEU 66 1HB LEU 66 -12.241 -0.223 -2.094 440 HB3 LEU 66 2HB LEU 66 -12.154 -0.174 -0.335 441 HG LEU 66 HG LEU 66 -10.331 -1.967 -1.894 442 HD11 LEU 66 1HD1 LEU 66 -10.229 0.992 -1.676 443 HD12 LEU 66 2HD1 LEU 66 -9.691 -0.069 -2.978 444 HD13 LEU 66 3HD1 LEU 66 -8.720 0.092 -1.515 445 HD21 LEU 66 3HD2 LEU 66 -9.718 -0.470 0.622 446 HD22 LEU 66 1HD2 LEU 66 -9.039 -1.984 0.025 447 HD23 LEU 66 2HD2 LEU 66 -10.678 -1.950 0.675 448 H GLN 67 H GLN 67 -13.795 -1.683 1.224 449 HA GLN 67 HA GLN 67 -16.363 -0.566 0.348 450 HB2 GLN 67 1HB GLN 67 -16.081 -2.691 2.479 451 HB3 GLN 67 2HB GLN 67 -17.578 -1.933 1.954 452 HG2 GLN 67 1HG GLN 67 -17.268 -2.905 -0.279 453 HG3 GLN 67 2HG GLN 67 -15.802 -3.702 0.290 454 HE21 GLN 67 1HE2 GLN 67 -18.998 -4.128 -0.293 455 HE22 GLN 67 2HE2 GLN 67 -19.309 -5.475 0.743 456 H VAL 68 H VAL 68 -17.487 0.643 2.016 457 HA VAL 68 HA VAL 68 -16.032 2.567 3.265 458 HB VAL 68 HB VAL 68 -18.658 1.406 4.202 459 HG11 VAL 68 1HG1 VAL 68 -18.838 3.838 5.144 460 HG12 VAL 68 2HG1 VAL 68 -18.003 2.587 6.067 461 HG13 VAL 68 3HG1 VAL 68 -17.077 3.760 5.131 462 HG21 VAL 68 3HG2 VAL 68 -19.342 3.713 3.098 463 HG22 VAL 68 1HG2 VAL 68 -17.864 3.431 2.178 464 HG23 VAL 68 2HG2 VAL 68 -19.167 2.243 2.139 465 H GLY 69 H GLY 69 -14.254 2.072 4.446 466 HA2 GLY 69 1HA GLY 69 -14.499 1.381 7.143 467 HA3 GLY 69 2HA GLY 69 -14.054 -0.075 6.266 468 H THR 70 H THR 70 -12.098 -0.055 7.532 469 HA THR 70 HA THR 70 -10.105 1.839 6.468 470 HB THR 70 HB THR 70 -8.905 1.225 8.743 471 HG1 THR 70 1HG THR 70 -10.533 -0.178 9.496 472 HG21 THR 70 3HG2 THR 70 -11.014 3.274 8.193 473 HG22 THR 70 1HG2 THR 70 -9.272 3.481 8.368 474 HG23 THR 70 2HG2 THR 70 -10.272 3.187 9.790 475 H TYR 71 H TYR 71 -8.189 1.013 5.769 476 HA TYR 71 HA TYR 71 -7.731 -1.869 6.126 477 HB2 TYR 71 1HB TYR 71 -7.429 -0.334 3.537 478 HB3 TYR 71 2HB TYR 71 -6.984 -2.020 3.780 479 HD1 TYR 71 1HD TYR 71 -9.867 0.318 3.786 480 HD2 TYR 71 2HD TYR 71 -8.581 -3.730 3.545 481 HE1 TYR 71 1HE TYR 71 -12.150 -0.364 3.175 482 HE2 TYR 71 2HE TYR 71 -10.860 -4.424 2.932 483 HH TYR 71 HH TYR 71 -12.883 -3.646 2.186 484 H VAL 72 H VAL 72 -5.828 -2.219 7.037 485 HA VAL 72 HA VAL 72 -3.739 -0.168 6.810 486 HB VAL 72 HB VAL 72 -3.922 -2.475 8.753 487 HG11 VAL 72 1HG1 VAL 72 -1.983 -1.757 9.724 488 HG12 VAL 72 2HG1 VAL 72 -1.653 -1.316 8.048 489 HG13 VAL 72 3HG1 VAL 72 -2.202 -0.090 9.192 490 HG21 VAL 72 3HG2 VAL 72 -5.355 -1.241 9.918 491 HG22 VAL 72 1HG2 VAL 72 -4.126 0.016 10.059 492 HG23 VAL 72 2HG2 VAL 72 -5.268 0.046 8.715 493 H PHE 73 H PHE 73 -2.470 -0.558 5.101 494 HA PHE 73 HA PHE 73 -1.645 -3.320 4.547 495 HB2 PHE 73 1HB PHE 73 -1.415 -0.843 2.824 496 HB3 PHE 73 2HB PHE 73 -0.930 -2.467 2.347 497 HD1 PHE 73 1HD PHE 73 -2.696 -4.255 2.185 498 HD2 PHE 73 2HD PHE 73 -3.627 -0.121 2.583 499 HE1 PHE 73 1HE PHE 73 -4.970 -4.690 1.350 500 HE2 PHE 73 2HE PHE 73 -5.902 -0.550 1.750 501 HZ PHE 73 HZ PHE 73 -6.576 -2.837 1.133 502 H THR 74 H THR 74 0.258 -3.944 5.296 503 HA THR 74 HA THR 74 2.278 -1.928 5.951 504 HB THR 74 HB THR 74 2.058 -4.839 6.734 505 HG1 THR 74 1HG THR 74 1.977 -3.668 8.872 506 HG21 THR 74 3HG2 THR 74 3.989 -3.303 8.229 507 HG22 THR 74 1HG2 THR 74 4.393 -3.314 6.513 508 HG23 THR 74 2HG2 THR 74 4.193 -4.836 7.382 509 H LEU 75 H LEU 75 4.119 -1.715 4.837 510 HA LEU 75 HA LEU 75 4.617 -3.598 2.643 511 HB2 LEU 75 1HB LEU 75 4.427 -1.410 1.816 512 HB3 LEU 75 2HB LEU 75 5.400 -0.742 3.125 513 HG LEU 75 HG LEU 75 7.297 -2.194 2.034 514 HD11 LEU 75 1HD1 LEU 75 7.102 -2.401 -0.358 515 HD12 LEU 75 2HD1 LEU 75 5.489 -1.689 -0.325 516 HD13 LEU 75 3HD1 LEU 75 5.772 -3.267 0.412 517 HD21 LEU 75 3HD2 LEU 75 6.978 0.361 2.223 518 HD22 LEU 75 1HD2 LEU 75 6.486 0.267 0.532 519 HD23 LEU 75 2HD2 LEU 75 8.097 -0.268 1.012 520 H THR 76 H THR 76 6.509 -4.698 2.441 521 HA THR 76 HA THR 76 8.536 -4.294 4.541 522 HB THR 76 HB THR 76 7.639 -6.964 3.438 523 HG1 THR 76 1HG THR 76 6.887 -5.462 5.645 524 HG21 THR 76 3HG2 THR 76 9.064 -7.656 5.541 525 HG22 THR 76 1HG2 THR 76 9.861 -6.113 5.239 526 HG23 THR 76 2HG2 THR 76 9.839 -7.355 3.987 527 H VAL 77 H VAL 77 10.275 -3.499 3.551 528 HA VAL 77 HA VAL 77 11.081 -4.687 0.975 529 HB VAL 77 HB VAL 77 12.437 -2.462 0.806 530 HG11 VAL 77 1HG1 VAL 77 10.507 -1.382 -0.312 531 HG12 VAL 77 2HG1 VAL 77 10.715 -3.075 -0.763 532 HG13 VAL 77 3HG1 VAL 77 9.456 -2.615 0.383 533 HG21 VAL 77 3HG2 VAL 77 10.148 -1.455 2.470 534 HG22 VAL 77 1HG2 VAL 77 11.718 -1.839 3.174 535 HG23 VAL 77 2HG2 VAL 77 11.589 -0.588 1.938 536 H LYS 78 H LYS 78 13.395 -4.806 0.577 537 HA LYS 78 HA LYS 78 15.030 -4.884 3.018 538 HB2 LYS 78 1HB LYS 78 14.454 -7.090 1.106 539 HB3 LYS 78 2HB LYS 78 16.097 -6.965 1.721 540 HG2 LYS 78 1HG LYS 78 15.342 -7.194 3.977 541 HG3 LYS 78 2HG LYS 78 13.654 -7.093 3.473 542 HD2 LYS 78 1HD LYS 78 13.706 -9.210 2.477 543 HD3 LYS 78 2HD LYS 78 15.470 -9.240 2.424 544 HE2 LYS 78 1HE LYS 78 15.658 -9.746 4.673 545 HE3 LYS 78 2HE LYS 78 14.063 -9.099 5.057 546 HZ1 LYS 78 3HZ LYS 78 13.030 -11.005 4.409 547 HZ2 LYS 78 1HZ LYS 78 14.496 -11.665 4.938 548 HZ3 LYS 78 2HZ LYS 78 14.223 -11.425 3.286 549 H ASP 79 H ASP 79 17.329 -4.758 2.639 550 HA ASP 79 HA ASP 79 17.996 -3.527 0.045 551 HB2 ASP 79 1HB ASP 79 19.331 -2.851 2.666 552 HB3 ASP 79 2HB ASP 79 19.452 -1.988 1.135 553 H GLU 80 H GLU 80 20.539 -3.461 -0.158 554 HA GLU 80 HA GLU 80 21.443 -5.995 -0.674 555 HB2 GLU 80 1HB GLU 80 23.630 -5.077 -0.926 556 HB3 GLU 80 2HB GLU 80 22.490 -3.835 -1.424 557 HG2 GLU 80 1HG GLU 80 23.871 -2.573 -0.149 558 HG3 GLU 80 2HG GLU 80 22.740 -3.096 1.098 559 H ARG 81 H ARG 81 21.712 -4.174 2.327 560 HA ARG 81 HA ARG 81 23.285 -6.246 3.602 561 HB2 ARG 81 1HB ARG 81 22.329 -3.526 4.336 562 HB3 ARG 81 2HB ARG 81 22.651 -4.651 5.649 563 HG2 ARG 81 1HG ARG 81 24.719 -4.343 3.542 564 HG3 ARG 81 2HG ARG 81 24.509 -3.034 4.707 565 HD2 ARG 81 1HD ARG 81 24.884 -4.551 6.544 566 HD3 ARG 81 2HD ARG 81 24.941 -5.926 5.442 567 HE ARG 81 HE ARG 81 26.905 -4.097 4.663 568 HH11 ARG 81 2HH1 ARG 81 26.176 -6.224 7.320 569 HH12 ARG 81 1HH1 ARG 81 27.837 -6.482 7.740 570 HH21 ARG 81 2HH2 ARG 81 29.096 -4.428 5.206 571 HH22 ARG 81 1HH2 ARG 81 29.497 -5.459 6.537 572 H ASN 82 H ASN 82 20.526 -6.777 2.605 573 HA ASN 82 HA ASN 82 18.580 -7.777 3.260 574 HB2 ASN 82 1HB ASN 82 20.579 -9.331 4.021 575 HB3 ASN 82 2HB ASN 82 19.997 -8.919 5.631 576 HD21 ASN 82 1HD2 ASN 82 19.149 -10.829 6.224 577 HD22 ASN 82 2HD2 ASN 82 17.837 -11.609 5.414 578 H LEU 83 H LEU 83 19.032 -5.126 4.332 579 HA LEU 83 HA LEU 83 18.311 -4.988 7.063 580 HB2 LEU 83 1HB LEU 83 18.069 -3.002 4.814 581 HB3 LEU 83 2HB LEU 83 17.669 -2.625 6.489 582 HG LEU 83 HG LEU 83 20.400 -3.564 5.636 583 HD11 LEU 83 1HD1 LEU 83 20.450 -1.611 4.497 584 HD12 LEU 83 2HD1 LEU 83 20.779 -0.962 6.103 585 HD13 LEU 83 3HD1 LEU 83 19.145 -0.894 5.442 586 HD21 LEU 83 3HD2 LEU 83 19.298 -3.414 8.112 587 HD22 LEU 83 1HD2 LEU 83 20.023 -1.814 7.961 588 HD23 LEU 83 2HD2 LEU 83 21.022 -3.255 7.772 589 H GLN 84 H GLN 84 16.450 -5.576 7.942 590 HA GLN 84 HA GLN 84 14.068 -5.839 6.307 591 HB2 GLN 84 1HB GLN 84 14.955 -7.439 8.201 592 HB3 GLN 84 2HB GLN 84 14.087 -6.332 9.256 593 HG2 GLN 84 1HG GLN 84 12.143 -6.757 7.528 594 HG3 GLN 84 2HG GLN 84 13.048 -8.241 7.236 595 HE21 GLN 84 1HE2 GLN 84 10.414 -7.529 8.585 596 HE22 GLN 84 2HE2 GLN 84 10.480 -8.378 10.087 597 H SER 85 H SER 85 12.694 -4.220 6.048 598 HA SER 85 HA SER 85 12.459 -2.215 8.195 599 HB2 SER 85 1HB SER 85 11.905 -1.796 5.250 600 HB3 SER 85 2HB SER 85 11.919 -0.563 6.511 601 HG SER 85 HG SER 85 14.152 -0.995 6.789 602 H GLN 86 H GLN 86 10.228 -0.920 7.634 603 HA GLN 86 HA GLN 86 8.028 -2.498 6.814 604 HB2 GLN 86 1HB GLN 86 8.831 -3.413 9.167 605 HB3 GLN 86 2HB GLN 86 7.912 -2.035 9.759 606 HG2 GLN 86 1HG GLN 86 5.951 -2.879 8.482 607 HG3 GLN 86 2HG GLN 86 6.889 -4.320 8.093 608 HE21 GLN 86 1HE2 GLN 86 7.038 -5.922 9.553 609 HE22 GLN 86 2HE2 GLN 86 6.326 -5.884 11.126 610 H SER 87 H SER 87 6.137 -1.312 6.686 611 HA SER 87 HA SER 87 5.822 1.202 8.026 612 HB2 SER 87 1HB SER 87 7.445 1.561 6.005 613 HB3 SER 87 2HB SER 87 5.974 1.449 5.039 614 HG SER 87 HG SER 87 5.190 3.246 6.003 615 H SER 88 H SER 88 3.723 1.403 8.396 616 HA SER 88 HA SER 88 1.841 0.023 6.607 617 HB2 SER 88 1HB SER 88 0.267 0.089 8.516 618 HB3 SER 88 2HB SER 88 1.766 -0.745 8.925 619 HG SER 88 HG SER 88 1.316 1.996 9.483 620 H VAL 89 H VAL 89 -0.183 1.052 6.109 621 HA VAL 89 HA VAL 89 -0.209 3.972 6.413 622 HB VAL 89 HB VAL 89 0.727 3.434 4.182 623 HG11 VAL 89 1HG1 VAL 89 -1.920 2.485 3.234 624 HG12 VAL 89 2HG1 VAL 89 -0.301 2.116 2.635 625 HG13 VAL 89 3HG1 VAL 89 -0.900 1.336 4.100 626 HG21 VAL 89 3HG2 VAL 89 -1.090 5.330 4.829 627 HG22 VAL 89 1HG2 VAL 89 -0.296 5.217 3.259 628 HG23 VAL 89 2HG2 VAL 89 -1.909 4.541 3.481 629 H ASN 90 H ASN 90 -2.186 4.842 6.766 630 HA ASN 90 HA ASN 90 -4.382 3.002 7.202 631 HB2 ASN 90 1HB ASN 90 -3.838 5.864 7.897 632 HB3 ASN 90 2HB ASN 90 -5.495 5.271 7.926 633 HD21 ASN 90 1HD2 ASN 90 -4.865 6.071 10.234 634 HD22 ASN 90 2HD2 ASN 90 -4.371 4.817 11.316 635 H VAL 91 H VAL 91 -5.770 2.523 5.644 636 HA VAL 91 HA VAL 91 -6.257 4.504 3.520 637 HB VAL 91 HB VAL 91 -6.647 1.509 3.456 638 HG11 VAL 91 1HG1 VAL 91 -7.375 1.703 1.235 639 HG12 VAL 91 2HG1 VAL 91 -8.258 2.958 2.107 640 HG13 VAL 91 3HG1 VAL 91 -6.859 3.385 1.121 641 HG21 VAL 91 3HG2 VAL 91 -4.344 1.855 3.320 642 HG22 VAL 91 1HG2 VAL 91 -4.851 1.769 1.633 643 HG23 VAL 91 2HG2 VAL 91 -4.526 3.334 2.377 644 H ILE 92 H ILE 92 -8.030 5.644 3.997 645 HA ILE 92 HA ILE 92 -10.332 4.275 5.194 646 HB ILE 92 HB ILE 92 -9.755 7.224 4.887 647 HG12 ILE 92 1HG1 ILE 92 -10.095 5.844 7.511 648 HG13 ILE 92 2HG1 ILE 92 -8.577 5.621 6.649 649 HG21 ILE 92 1HG2 ILE 92 -11.828 6.802 6.730 650 HG22 ILE 92 2HG2 ILE 92 -11.931 7.570 5.146 651 HG23 ILE 92 3HG2 ILE 92 -12.230 5.840 5.308 652 HD11 ILE 92 3HD1 ILE 92 -8.059 7.903 6.761 653 HD12 ILE 92 1HD1 ILE 92 -9.705 8.340 7.216 654 HD13 ILE 92 2HD1 ILE 92 -8.671 7.482 8.360 655 H VAL 93 H VAL 93 -12.289 4.147 4.200 656 HA VAL 93 HA VAL 93 -12.467 5.234 1.464 657 HB VAL 93 HB VAL 93 -13.513 2.603 2.511 658 HG11 VAL 93 1HG1 VAL 93 -15.243 3.244 1.124 659 HG12 VAL 93 2HG1 VAL 93 -14.181 4.149 0.043 660 HG13 VAL 93 3HG1 VAL 93 -14.184 2.385 0.005 661 HG21 VAL 93 3HG2 VAL 93 -11.738 1.657 1.551 662 HG22 VAL 93 1HG2 VAL 93 -11.981 2.562 0.057 663 HG23 VAL 93 2HG2 VAL 93 -11.066 3.279 1.383 664 H LYS 94 H LYS 94 -14.222 6.409 0.970 665 HA LYS 94 HA LYS 94 -16.432 6.465 2.919 666 HB2 LYS 94 1HB LYS 94 -14.921 8.671 1.611 667 HB3 LYS 94 2HB LYS 94 -16.645 8.906 1.865 668 HG2 LYS 94 1HG LYS 94 -15.813 9.792 3.795 669 HG3 LYS 94 2HG LYS 94 -16.074 8.122 4.301 670 HD2 LYS 94 1HD LYS 94 -13.832 7.639 4.336 671 HD3 LYS 94 2HD LYS 94 -13.442 8.853 3.116 672 HE2 LYS 94 1HE LYS 94 -12.564 9.581 5.226 673 HE3 LYS 94 2HE LYS 94 -13.925 10.616 4.798 674 HZ1 LYS 94 3HZ LYS 94 -13.581 8.981 7.085 675 HZ2 LYS 94 1HZ LYS 94 -14.985 8.528 6.258 676 HZ3 LYS 94 2HZ LYS 94 -14.783 10.128 6.766 677 H GLU 95 H GLU 95 -18.534 6.788 2.104 678 HA GLU 95 HA GLU 95 -18.909 5.729 -0.563 679 HB2 GLU 95 1HB GLU 95 -21.410 6.122 0.194 680 HB3 GLU 95 2HB GLU 95 -20.471 4.771 0.815 681 HG2 GLU 95 1HG GLU 95 -20.059 5.888 2.866 682 HG3 GLU 95 2HG GLU 95 -20.704 7.405 2.241 683 H GLU 96 H GLU 96 -20.763 6.758 -1.878 684 HA GLU 96 HA GLU 96 -19.976 9.477 -2.433 685 HB2 GLU 96 1HB GLU 96 -20.476 7.743 -4.198 686 HB3 GLU 96 2HB GLU 96 -22.172 7.885 -3.757 687 HG2 GLU 96 1HG GLU 96 -20.686 10.359 -4.454 688 HG3 GLU 96 2HG GLU 96 -21.139 9.255 -5.750 689 H SER 97 H SER 97 -21.273 11.306 -2.336 690 HA SER 97 HA SER 97 -23.599 11.060 -0.551 691 HB2 SER 97 1HB SER 97 -21.752 12.438 0.323 692 HB3 SER 97 2HB SER 97 -21.855 13.475 -1.099 693 HG SER 97 HG SER 97 -24.188 13.068 0.373 694 H GLY 98 H GLY 98 -25.510 12.190 -1.004 695 HA2 GLY 98 1HA GLY 98 -26.146 14.012 -2.877 696 HA3 GLY 98 2HA GLY 98 -26.004 12.548 -3.839 697 HA PRO 99 HA PRO 99 -30.380 12.867 -2.361 698 HB2 PRO 99 1HB PRO 99 -31.479 12.239 -4.763 699 HB3 PRO 99 2HB PRO 99 -31.032 13.889 -4.313 700 HG2 PRO 99 1HG PRO 99 -29.541 11.915 -5.999 701 HG3 PRO 99 2HG PRO 99 -29.790 13.651 -6.264 702 HD2 PRO 99 1HD PRO 99 -27.486 12.648 -5.255 703 HD3 PRO 99 2HD PRO 99 -28.114 14.244 -4.798 704 H SER 100 H SER 100 -29.905 10.965 -1.115 705 HA SER 100 HA SER 100 -29.687 8.387 -2.279 706 HB2 SER 100 1HB SER 100 -30.560 9.097 0.532 707 HB3 SER 100 2HB SER 100 -29.938 7.539 -0.013 708 HG SER 100 HG SER 100 -27.991 8.285 0.198 709 H SER 101 H SER 101 -31.227 6.637 -2.095 710 HA SER 101 HA SER 101 -33.934 7.555 -2.679 711 HB2 SER 101 1HB SER 101 -34.290 5.206 -3.448 712 HB3 SER 101 2HB SER 101 -32.968 6.019 -4.285 713 HG SER 101 HG SER 101 -31.509 4.855 -3.119 714 H GLY 102 H GLY 102 -32.499 4.872 -0.804 715 HA2 GLY 102 1HA GLY 102 -33.302 5.131 1.666 716 HA3 GLY 102 2HA GLY 102 -34.875 4.895 0.919 Start of MODEL 11 1 H1 GLY 1 H GLY 1 24.325 -4.318 13.157 2 HA2 GLY 1 1HA GLY 1 24.520 -5.662 15.727 3 HA3 GLY 1 2HA GLY 1 26.043 -5.110 15.047 4 H SER 2 H SER 2 22.750 -3.800 15.466 5 HA SER 2 HA SER 2 23.612 -1.713 17.188 6 HB2 SER 2 1HB SER 2 24.557 -0.767 15.158 7 HB3 SER 2 2HB SER 2 23.021 -0.967 14.314 8 HG SER 2 HG SER 2 22.885 1.071 14.972 9 H SER 3 H SER 3 21.922 -1.513 18.483 10 HA SER 3 HA SER 3 19.361 -2.468 17.972 11 HB2 SER 3 1HB SER 3 18.670 -1.185 19.970 12 HB3 SER 3 2HB SER 3 20.179 -2.056 20.240 13 HG SER 3 HG SER 3 21.133 -0.221 20.569 14 H GLY 4 H GLY 4 17.643 -1.699 16.913 15 HA2 GLY 4 1HA GLY 4 17.344 1.168 16.480 16 HA3 GLY 4 2HA GLY 4 17.557 0.185 15.038 17 H SER 5 H SER 5 15.275 1.781 15.652 18 HA SER 5 HA SER 5 13.237 -0.334 15.893 19 HB2 SER 5 1HB SER 5 13.006 2.534 16.839 20 HB3 SER 5 2HB SER 5 11.733 1.316 16.926 21 HG SER 5 HG SER 5 12.618 1.084 18.854 22 H SER 6 H SER 6 13.908 2.906 14.594 23 HA SER 6 HA SER 6 11.712 2.977 12.823 24 HB2 SER 6 1HB SER 6 14.360 4.434 12.634 25 HB3 SER 6 2HB SER 6 12.897 4.844 11.739 26 HG SER 6 HG SER 6 12.651 6.107 13.435 27 H GLY 7 H GLY 7 12.204 3.316 10.352 28 HA2 GLY 7 1HA GLY 7 14.195 1.475 9.313 29 HA3 GLY 7 2HA GLY 7 12.525 0.979 9.082 30 H GLN 8 H GLN 8 14.158 1.371 6.916 31 HA GLN 8 HA GLN 8 13.492 4.014 5.853 32 HB2 GLN 8 1HB GLN 8 15.421 1.864 5.064 33 HB3 GLN 8 2HB GLN 8 14.905 3.047 3.869 34 HG2 GLN 8 1HG GLN 8 17.035 3.602 5.018 35 HG3 GLN 8 2HG GLN 8 15.792 4.844 5.146 36 HE21 GLN 8 1HE2 GLN 8 17.993 2.966 6.817 37 HE22 GLN 8 2HE2 GLN 8 17.426 3.261 8.422 38 H ALA 9 H ALA 9 11.203 3.481 5.736 39 HA ALA 9 HA ALA 9 10.536 2.385 3.141 40 HB1 ALA 9 3HB ALA 9 9.982 0.947 5.649 41 HB2 ALA 9 1HB ALA 9 8.627 1.075 4.527 42 HB3 ALA 9 2HB ALA 9 10.142 0.341 4.000 43 H ASP 10 H ASP 10 9.042 3.640 2.244 44 HA ASP 10 HA ASP 10 7.277 5.200 4.017 45 HB2 ASP 10 1HB ASP 10 9.012 6.520 2.745 46 HB3 ASP 10 2HB ASP 10 8.200 6.028 1.261 47 H ALA 11 H ALA 11 5.344 4.243 3.979 48 HA ALA 11 HA ALA 11 4.362 2.950 1.574 49 HB1 ALA 11 3HB ALA 11 2.409 2.369 3.027 50 HB2 ALA 11 1HB ALA 11 3.965 1.778 3.609 51 HB3 ALA 11 2HB ALA 11 3.227 3.197 4.352 52 H GLY 12 H GLY 12 4.713 5.704 1.233 53 HA2 GLY 12 1HA GLY 12 3.618 7.572 0.471 54 HA3 GLY 12 2HA GLY 12 2.307 6.473 0.071 55 HA PRO 13 HA PRO 13 1.231 9.469 3.615 56 HB2 PRO 13 1HB PRO 13 -0.346 11.185 2.223 57 HB3 PRO 13 2HB PRO 13 1.392 11.433 2.434 58 HG2 PRO 13 1HG PRO 13 -0.089 10.299 0.092 59 HG3 PRO 13 2HG PRO 13 1.259 11.451 0.112 60 HD2 PRO 13 1HD PRO 13 1.601 8.817 -0.414 61 HD3 PRO 13 2HD PRO 13 2.835 9.795 0.406 62 H ASP 14 H ASP 14 -0.987 9.887 4.413 63 HA ASP 14 HA ASP 14 -2.580 7.676 4.493 64 HB2 ASP 14 1HB ASP 14 -4.230 8.989 5.538 65 HB3 ASP 14 2HB ASP 14 -2.722 9.829 5.886 66 H LYS 15 H LYS 15 -4.398 6.918 3.437 67 HA LYS 15 HA LYS 15 -4.881 8.096 0.781 68 HB2 LYS 15 1HB LYS 15 -4.991 5.247 1.752 69 HB3 LYS 15 2HB LYS 15 -5.762 5.745 0.252 70 HG2 LYS 15 1HG LYS 15 -2.909 6.458 0.656 71 HG3 LYS 15 2HG LYS 15 -3.311 4.775 0.306 72 HD2 LYS 15 1HD LYS 15 -4.224 5.305 -1.778 73 HD3 LYS 15 2HD LYS 15 -4.408 7.011 -1.366 74 HE2 LYS 15 1HE LYS 15 -1.856 7.062 -1.220 75 HE3 LYS 15 2HE LYS 15 -1.899 5.504 -2.044 76 HZ1 LYS 15 3HZ LYS 15 -2.748 8.144 -3.051 77 HZ2 LYS 15 1HZ LYS 15 -3.347 6.722 -3.744 78 HZ3 LYS 15 2HZ LYS 15 -1.685 7.032 -3.754 79 H GLU 16 H GLU 16 -6.822 8.937 0.407 80 HA GLU 16 HA GLU 16 -9.079 8.058 2.085 81 HB2 GLU 16 1HB GLU 16 -8.024 10.449 2.435 82 HB3 GLU 16 2HB GLU 16 -8.969 10.844 1.006 83 HG2 GLU 16 1HG GLU 16 -10.995 10.057 2.155 84 HG3 GLU 16 2HG GLU 16 -10.031 9.741 3.597 85 H LEU 17 H LEU 17 -10.196 6.792 0.713 86 HA LEU 17 HA LEU 17 -10.694 7.752 -2.013 87 HB2 LEU 17 1HB LEU 17 -11.336 5.046 -0.861 88 HB3 LEU 17 2HB LEU 17 -11.328 5.513 -2.561 89 HG LEU 17 HG LEU 17 -8.787 5.701 -1.014 90 HD11 LEU 17 1HD1 LEU 17 -10.237 3.350 -0.985 91 HD12 LEU 17 2HD1 LEU 17 -8.502 3.514 -0.720 92 HD13 LEU 17 3HD1 LEU 17 -9.116 3.138 -2.330 93 HD21 LEU 17 3HD2 LEU 17 -8.904 4.563 -3.720 94 HD22 LEU 17 1HD2 LEU 17 -7.835 5.794 -3.047 95 HD23 LEU 17 2HD2 LEU 17 -9.456 6.233 -3.587 96 H THR 18 H THR 18 -12.800 7.829 -2.870 97 HA THR 18 HA THR 18 -14.979 7.750 -0.892 98 HB THR 18 HB THR 18 -14.667 9.877 -3.019 99 HG1 THR 18 1HG THR 18 -14.036 11.215 -1.377 100 HG21 THR 18 3HG2 THR 18 -16.891 9.002 -1.399 101 HG22 THR 18 1HG2 THR 18 -16.853 10.190 -2.701 102 HG23 THR 18 2HG2 THR 18 -16.478 10.681 -1.049 103 H LEU 19 H LEU 19 -16.304 6.175 -1.514 104 HA LEU 19 HA LEU 19 -16.469 4.801 -3.819 105 HB2 LEU 19 1HB LEU 19 -18.638 5.622 -1.921 106 HB3 LEU 19 2HB LEU 19 -18.992 4.610 -3.320 107 HG LEU 19 HG LEU 19 -16.977 3.869 -1.205 108 HD11 LEU 19 1HD1 LEU 19 -18.934 2.207 -0.654 109 HD12 LEU 19 2HD1 LEU 19 -19.929 3.506 -1.309 110 HD13 LEU 19 3HD1 LEU 19 -18.875 3.814 0.071 111 HD21 LEU 19 3HD2 LEU 19 -16.982 2.869 -3.591 112 HD22 LEU 19 1HD2 LEU 19 -18.429 2.016 -3.053 113 HD23 LEU 19 2HD2 LEU 19 -16.900 1.779 -2.206 114 HA PRO 20 HA PRO 20 -18.318 3.799 -5.005 115 HB2 PRO 20 1HB PRO 20 -18.044 3.284 -7.656 116 HB3 PRO 20 2HB PRO 20 -19.579 3.769 -6.926 117 HG2 PRO 20 1HG PRO 20 -17.582 5.428 -8.417 118 HG3 PRO 20 2HG PRO 20 -19.352 5.433 -8.535 119 HD2 PRO 20 1HD PRO 20 -17.981 7.292 -7.122 120 HD3 PRO 20 2HD PRO 20 -19.599 6.736 -6.650 121 H VAL 21 H VAL 21 -15.800 5.852 -5.769 122 HA VAL 21 HA VAL 21 -13.835 4.293 -6.922 123 HB VAL 21 HB VAL 21 -13.443 6.325 -4.721 124 HG11 VAL 21 1HG1 VAL 21 -11.273 6.436 -6.412 125 HG12 VAL 21 2HG1 VAL 21 -11.314 5.659 -4.827 126 HG13 VAL 21 3HG1 VAL 21 -11.598 4.707 -6.285 127 HG21 VAL 21 3HG2 VAL 21 -14.704 6.926 -6.934 128 HG22 VAL 21 1HG2 VAL 21 -13.461 8.002 -6.297 129 HG23 VAL 21 2HG2 VAL 21 -13.082 6.907 -7.626 130 H ASP 22 H ASP 22 -13.540 2.220 -6.319 131 HA ASP 22 HA ASP 22 -12.797 1.736 -3.511 132 HB2 ASP 22 1HB ASP 22 -13.804 -0.498 -3.673 133 HB3 ASP 22 2HB ASP 22 -15.001 0.762 -3.957 134 H SER 23 H SER 23 -11.034 2.406 -5.649 135 HA SER 23 HA SER 23 -9.349 0.023 -5.599 136 HB2 SER 23 1HB SER 23 -8.864 0.111 -7.971 137 HB3 SER 23 2HB SER 23 -10.609 -0.022 -7.757 138 HG SER 23 HG SER 23 -9.262 2.444 -8.128 139 H THR 24 H THR 24 -7.219 0.465 -5.379 140 HA THR 24 HA THR 24 -6.151 3.075 -6.025 141 HB THR 24 HB THR 24 -7.196 3.157 -3.649 142 HG1 THR 24 1HG THR 24 -4.485 3.903 -3.629 143 HG21 THR 24 3HG2 THR 24 -6.012 0.952 -3.055 144 HG22 THR 24 1HG2 THR 24 -5.978 2.252 -1.865 145 HG23 THR 24 2HG2 THR 24 -4.563 1.939 -2.871 146 H THR 25 H THR 25 -3.925 3.092 -6.229 147 HA THR 25 HA THR 25 -2.651 0.447 -6.084 148 HB THR 25 HB THR 25 -0.913 1.525 -7.601 149 HG1 THR 25 1HG THR 25 -2.952 3.419 -8.139 150 HG21 THR 25 3HG2 THR 25 -3.510 0.474 -8.177 151 HG22 THR 25 1HG2 THR 25 -2.025 0.328 -9.115 152 HG23 THR 25 2HG2 THR 25 -3.103 1.699 -9.378 153 H LEU 26 H LEU 26 -1.141 0.081 -4.602 154 HA LEU 26 HA LEU 26 -0.141 2.311 -3.014 155 HB2 LEU 26 1HB LEU 26 0.056 -0.674 -2.669 156 HB3 LEU 26 2HB LEU 26 0.803 0.492 -1.579 157 HG LEU 26 HG LEU 26 -2.153 0.535 -2.083 158 HD11 LEU 26 1HD1 LEU 26 -1.426 -1.770 -1.410 159 HD12 LEU 26 2HD1 LEU 26 -2.540 -0.978 -0.296 160 HD13 LEU 26 3HD1 LEU 26 -0.821 -1.065 0.090 161 HD21 LEU 26 3HD2 LEU 26 -2.261 1.735 -0.079 162 HD22 LEU 26 1HD2 LEU 26 -0.839 2.384 -0.897 163 HD23 LEU 26 2HD2 LEU 26 -0.647 1.226 0.420 164 H ASP 27 H ASP 27 1.380 3.276 -4.338 165 HA ASP 27 HA ASP 27 3.593 1.633 -5.321 166 HB2 ASP 27 1HB ASP 27 4.244 3.586 -6.622 167 HB3 ASP 27 2HB ASP 27 2.537 3.236 -6.880 168 H GLY 28 H GLY 28 5.286 1.363 -4.032 169 HA2 GLY 28 1HA GLY 28 5.934 3.501 -2.104 170 HA3 GLY 28 2HA GLY 28 6.324 1.801 -1.884 171 H SER 29 H SER 29 6.790 3.722 -4.810 172 HA SER 29 HA SER 29 9.409 2.788 -5.224 173 HB2 SER 29 1HB SER 29 9.541 4.614 -6.934 174 HB3 SER 29 2HB SER 29 8.105 3.603 -7.088 175 HG SER 29 HG SER 29 8.254 6.164 -5.872 176 H LYS 30 H LYS 30 8.149 5.504 -3.454 177 HA LYS 30 HA LYS 30 10.772 6.722 -3.150 178 HB2 LYS 30 1HB LYS 30 8.103 7.494 -1.957 179 HB3 LYS 30 2HB LYS 30 9.582 8.439 -1.850 180 HG2 LYS 30 1HG LYS 30 8.428 7.694 -4.508 181 HG3 LYS 30 2HG LYS 30 7.822 9.085 -3.607 182 HD2 LYS 30 1HD LYS 30 10.749 8.711 -4.179 183 HD3 LYS 30 2HD LYS 30 9.668 9.506 -5.326 184 HE2 LYS 30 1HE LYS 30 9.892 10.362 -2.452 185 HE3 LYS 30 2HE LYS 30 10.941 11.005 -3.714 186 HZ1 LYS 30 3HZ LYS 30 9.342 12.496 -4.043 187 HZ2 LYS 30 1HZ LYS 30 8.214 11.638 -3.119 188 HZ3 LYS 30 2HZ LYS 30 8.436 11.254 -4.751 189 H SER 31 H SER 31 10.987 4.261 -2.165 190 HA SER 31 HA SER 31 10.401 4.224 0.672 191 HB2 SER 31 1HB SER 31 10.298 2.183 -0.838 192 HB3 SER 31 2HB SER 31 12.060 2.224 -0.868 193 HG SER 31 HG SER 31 12.075 1.363 1.042 194 H SER 32 H SER 32 13.309 4.205 -1.376 195 HA SER 32 HA SER 32 14.751 5.733 0.607 196 HB2 SER 32 1HB SER 32 14.932 3.176 1.139 197 HB3 SER 32 2HB SER 32 16.056 3.161 -0.220 198 HG SER 32 HG SER 32 16.911 5.134 1.095 199 H ASP 33 H ASP 33 16.544 6.790 -0.224 200 HA ASP 33 HA ASP 33 16.865 6.568 -3.143 201 HB2 ASP 33 1HB ASP 33 17.628 8.968 -1.489 202 HB3 ASP 33 2HB ASP 33 17.371 8.879 -3.229 203 H ASP 34 H ASP 34 18.765 7.618 -0.310 204 HA ASP 34 HA ASP 34 21.282 7.556 -1.261 205 HB2 ASP 34 1HB ASP 34 20.401 7.863 1.175 206 HB3 ASP 34 2HB ASP 34 20.750 6.143 1.333 207 H GLN 35 H GLN 35 19.496 4.682 -0.173 208 HA GLN 35 HA GLN 35 21.491 3.022 -1.566 209 HB2 GLN 35 1HB GLN 35 20.795 1.188 -0.059 210 HB3 GLN 35 2HB GLN 35 21.469 2.560 0.810 211 HG2 GLN 35 1HG GLN 35 18.927 3.257 0.961 212 HG3 GLN 35 2HG GLN 35 18.692 1.522 0.756 213 HE21 GLN 35 1HE2 GLN 35 19.301 3.988 2.933 214 HE22 GLN 35 2HE2 GLN 35 19.750 3.028 4.297 215 H LYS 36 H LYS 36 20.454 0.794 -2.165 216 HA LYS 36 HA LYS 36 17.950 1.382 -3.600 217 HB2 LYS 36 1HB LYS 36 18.648 -0.338 -5.215 218 HB3 LYS 36 2HB LYS 36 19.828 0.960 -5.094 219 HG2 LYS 36 1HG LYS 36 21.231 -0.823 -5.053 220 HG3 LYS 36 2HG LYS 36 20.912 -0.677 -3.323 221 HD2 LYS 36 1HD LYS 36 19.191 -2.394 -3.481 222 HD3 LYS 36 2HD LYS 36 19.455 -2.517 -5.222 223 HE2 LYS 36 1HE LYS 36 21.636 -2.996 -3.207 224 HE3 LYS 36 2HE LYS 36 20.568 -4.279 -3.773 225 HZ1 LYS 36 3HZ LYS 36 22.323 -2.615 -5.497 226 HZ2 LYS 36 1HZ LYS 36 21.311 -3.862 -6.028 227 HZ3 LYS 36 2HZ LYS 36 22.631 -4.211 -5.031 228 H ILE 37 H ILE 37 16.384 -0.304 -3.802 229 HA ILE 37 HA ILE 37 16.552 -2.313 -1.651 230 HB ILE 37 HB ILE 37 14.053 -0.996 -2.721 231 HG12 ILE 37 1HG1 ILE 37 13.997 -0.087 -0.315 232 HG13 ILE 37 2HG1 ILE 37 15.699 -0.530 -0.240 233 HG21 ILE 37 1HG2 ILE 37 12.824 -2.432 -1.509 234 HG22 ILE 37 2HG2 ILE 37 14.256 -3.456 -1.593 235 HG23 ILE 37 3HG2 ILE 37 13.976 -2.449 -0.174 236 HD11 ILE 37 3HD1 ILE 37 14.730 1.874 -1.059 237 HD12 ILE 37 1HD1 ILE 37 16.323 1.231 -1.456 238 HD13 ILE 37 2HD1 ILE 37 14.987 1.044 -2.593 239 H ILE 38 H ILE 38 16.144 -4.398 -2.142 240 HA ILE 38 HA ILE 38 15.235 -5.000 -4.880 241 HB ILE 38 HB ILE 38 16.679 -6.977 -4.883 242 HG12 ILE 38 1HG1 ILE 38 17.900 -5.902 -2.339 243 HG13 ILE 38 2HG1 ILE 38 16.701 -7.190 -2.359 244 HG21 ILE 38 1HG2 ILE 38 17.586 -4.239 -4.889 245 HG22 ILE 38 2HG2 ILE 38 18.880 -5.338 -4.415 246 HG23 ILE 38 3HG2 ILE 38 18.038 -5.575 -5.947 247 HD11 ILE 38 3HD1 ILE 38 19.244 -7.740 -2.271 248 HD12 ILE 38 1HD1 ILE 38 18.156 -8.710 -3.264 249 HD13 ILE 38 2HD1 ILE 38 19.160 -7.468 -4.011 250 H SER 39 H SER 39 13.479 -4.781 -2.720 251 HA SER 39 HA SER 39 12.261 -7.377 -2.790 252 HB2 SER 39 1HB SER 39 13.665 -6.426 -0.341 253 HB3 SER 39 2HB SER 39 12.110 -7.230 -0.127 254 HG SER 39 HG SER 39 14.518 -8.241 -1.154 255 H TYR 40 H TYR 40 10.082 -7.282 -2.441 256 HA TYR 40 HA TYR 40 8.901 -4.919 -1.232 257 HB2 TYR 40 1HB TYR 40 8.339 -5.691 -4.103 258 HB3 TYR 40 2HB TYR 40 7.448 -4.480 -3.188 259 HD1 TYR 40 1HD TYR 40 8.843 -2.507 -2.232 260 HD2 TYR 40 2HD TYR 40 10.185 -5.055 -5.364 261 HE1 TYR 40 1HE TYR 40 10.454 -0.786 -2.933 262 HE2 TYR 40 2HE TYR 40 11.801 -3.341 -6.073 263 HH TYR 40 HH TYR 40 13.015 -1.279 -4.706 264 H LEU 41 H LEU 41 7.109 -5.422 -0.134 265 HA LEU 41 HA LEU 41 5.530 -7.752 -0.908 266 HB2 LEU 41 1HB LEU 41 7.202 -8.566 0.697 267 HB3 LEU 41 2HB LEU 41 6.651 -7.366 1.864 268 HG LEU 41 HG LEU 41 4.379 -8.528 1.726 269 HD11 LEU 41 1HD1 LEU 41 6.075 -10.351 0.108 270 HD12 LEU 41 2HD1 LEU 41 4.369 -9.940 -0.062 271 HD13 LEU 41 3HD1 LEU 41 4.884 -11.067 1.194 272 HD21 LEU 41 3HD2 LEU 41 5.514 -10.564 3.075 273 HD22 LEU 41 1HD2 LEU 41 5.291 -8.947 3.745 274 HD23 LEU 41 2HD2 LEU 41 6.851 -9.413 3.066 275 H TRP 42 H TRP 42 3.429 -7.313 -0.800 276 HA TRP 42 HA TRP 42 2.552 -5.120 0.964 277 HB2 TRP 42 1HB TRP 42 1.726 -5.801 -1.850 278 HB3 TRP 42 2HB TRP 42 0.685 -4.849 -0.795 279 HD1 TRP 42 HD TRP 42 3.660 -4.557 -3.052 280 HE1 TRP 42 1HE TRP 42 4.524 -2.133 -3.047 281 HE3 TRP 42 3HE TRP 42 0.955 -2.741 0.887 282 HZ2 TRP 42 2HZ TRP 42 4.113 0.236 -1.568 283 HZ3 TRP 42 3HZ TRP 42 1.250 -0.385 1.533 284 HH2 TRP 42 HH TRP 42 2.797 1.071 0.330 285 H GLU 43 H GLU 43 1.390 -5.898 2.590 286 HA GLU 43 HA GLU 43 -0.699 -7.864 2.024 287 HB2 GLU 43 1HB GLU 43 1.419 -8.163 4.155 288 HB3 GLU 43 2HB GLU 43 -0.077 -9.087 4.140 289 HG2 GLU 43 1HG GLU 43 1.643 -9.110 1.715 290 HG3 GLU 43 2HG GLU 43 2.132 -10.056 3.119 291 H LYS 44 H LYS 44 -2.495 -7.723 3.345 292 HA LYS 44 HA LYS 44 -2.784 -5.215 4.760 293 HB2 LYS 44 1HB LYS 44 -4.580 -5.958 3.290 294 HB3 LYS 44 2HB LYS 44 -4.755 -7.443 4.216 295 HG2 LYS 44 1HG LYS 44 -5.655 -6.308 6.067 296 HG3 LYS 44 2HG LYS 44 -5.145 -4.735 5.451 297 HD2 LYS 44 1HD LYS 44 -7.574 -5.148 5.188 298 HD3 LYS 44 2HD LYS 44 -6.748 -4.865 3.654 299 HE2 LYS 44 1HE LYS 44 -7.062 -7.664 4.628 300 HE3 LYS 44 2HE LYS 44 -8.462 -6.843 3.939 301 HZ1 LYS 44 3HZ LYS 44 -6.909 -6.312 2.007 302 HZ2 LYS 44 1HZ LYS 44 -7.468 -7.903 2.143 303 HZ3 LYS 44 2HZ LYS 44 -5.898 -7.513 2.636 304 H THR 45 H THR 45 -2.359 -4.996 6.845 305 HA THR 45 HA THR 45 -2.078 -7.332 8.542 306 HB THR 45 HB THR 45 -1.585 -5.379 10.268 307 HG1 THR 45 1HG THR 45 -0.902 -4.136 7.803 308 HG21 THR 45 3HG2 THR 45 0.440 -5.842 8.099 309 HG22 THR 45 1HG2 THR 45 -0.030 -7.133 9.205 310 HG23 THR 45 2HG2 THR 45 0.699 -5.655 9.834 311 H GLN 46 H GLN 46 -4.165 -4.501 8.262 312 HA GLN 46 HA GLN 46 -6.049 -5.801 10.102 313 HB2 GLN 46 1HB GLN 46 -4.891 -3.069 10.278 314 HB3 GLN 46 2HB GLN 46 -6.596 -3.247 10.671 315 HG2 GLN 46 1HG GLN 46 -6.153 -4.671 12.470 316 HG3 GLN 46 2HG GLN 46 -4.508 -4.991 11.924 317 HE21 GLN 46 1HE2 GLN 46 -5.421 -4.064 14.512 318 HE22 GLN 46 2HE2 GLN 46 -4.645 -2.546 14.791 319 H GLY 47 H GLY 47 -8.280 -4.828 9.921 320 HA2 GLY 47 1HA GLY 47 -9.883 -3.625 8.592 321 HA3 GLY 47 2HA GLY 47 -8.802 -3.788 7.216 322 HA PRO 48 HA PRO 48 -12.166 -7.128 7.290 323 HB2 PRO 48 1HB PRO 48 -13.608 -6.231 5.172 324 HB3 PRO 48 2HB PRO 48 -13.938 -5.738 6.836 325 HG2 PRO 48 1HG PRO 48 -12.424 -4.291 4.697 326 HG3 PRO 48 2HG PRO 48 -13.608 -3.656 5.854 327 HD2 PRO 48 1HD PRO 48 -10.938 -3.374 6.199 328 HD3 PRO 48 2HD PRO 48 -12.064 -3.538 7.561 329 H ASP 49 H ASP 49 -11.856 -8.930 6.108 330 HA ASP 49 HA ASP 49 -9.938 -8.822 3.928 331 HB2 ASP 49 1HB ASP 49 -11.057 -10.961 5.678 332 HB3 ASP 49 2HB ASP 49 -10.446 -11.429 4.094 333 H GLY 50 H GLY 50 -10.518 -8.722 1.866 334 HA2 GLY 50 1HA GLY 50 -12.454 -10.308 0.637 335 HA3 GLY 50 2HA GLY 50 -13.219 -8.775 1.028 336 H VAL 51 H VAL 51 -10.584 -7.383 0.665 337 HA VAL 51 HA VAL 51 -10.937 -6.675 -2.060 338 HB VAL 51 HB VAL 51 -9.254 -5.086 -1.763 339 HG11 VAL 51 1HG1 VAL 51 -10.153 -3.909 -0.080 340 HG12 VAL 51 2HG1 VAL 51 -11.233 -5.293 0.102 341 HG13 VAL 51 3HG1 VAL 51 -9.793 -5.157 1.113 342 HG21 VAL 51 3HG2 VAL 51 -8.060 -7.128 0.003 343 HG22 VAL 51 1HG2 VAL 51 -7.295 -6.033 -1.149 344 HG23 VAL 51 2HG2 VAL 51 -7.767 -5.447 0.446 345 H GLN 52 H GLN 52 -9.054 -6.632 -3.620 346 HA GLN 52 HA GLN 52 -7.589 -9.186 -3.504 347 HB2 GLN 52 1HB GLN 52 -8.829 -7.817 -5.894 348 HB3 GLN 52 2HB GLN 52 -7.733 -9.187 -6.009 349 HG2 GLN 52 1HG GLN 52 -9.335 -10.491 -4.613 350 HG3 GLN 52 2HG GLN 52 -10.454 -9.134 -4.733 351 HE21 GLN 52 1HE2 GLN 52 -11.935 -9.369 -6.230 352 HE22 GLN 52 2HE2 GLN 52 -11.766 -10.240 -7.712 353 H LEU 53 H LEU 53 -5.500 -8.809 -3.206 354 HA LEU 53 HA LEU 53 -4.316 -6.322 -4.169 355 HB2 LEU 53 1HB LEU 53 -3.630 -8.351 -2.129 356 HB3 LEU 53 2HB LEU 53 -2.281 -7.545 -2.927 357 HG LEU 53 HG LEU 53 -4.439 -5.846 -1.787 358 HD11 LEU 53 1HD1 LEU 53 -3.761 -7.724 -0.134 359 HD12 LEU 53 2HD1 LEU 53 -3.782 -6.049 0.418 360 HD13 LEU 53 3HD1 LEU 53 -2.252 -6.821 0.002 361 HD21 LEU 53 3HD2 LEU 53 -2.154 -4.686 -1.100 362 HD22 LEU 53 1HD2 LEU 53 -2.849 -4.506 -2.711 363 HD23 LEU 53 2HD2 LEU 53 -1.549 -5.666 -2.436 364 H GLU 54 H GLU 54 -3.320 -6.249 -6.062 365 HA GLU 54 HA GLU 54 -2.275 -8.753 -7.203 366 HB2 GLU 54 1HB GLU 54 -3.553 -6.342 -8.387 367 HB3 GLU 54 2HB GLU 54 -2.299 -7.136 -9.331 368 HG2 GLU 54 1HG GLU 54 -4.908 -8.271 -8.382 369 HG3 GLU 54 2HG GLU 54 -4.343 -8.057 -10.038 370 H ASN 55 H ASN 55 -0.236 -8.770 -8.205 371 HA ASN 55 HA ASN 55 1.992 -8.320 -8.319 372 HB2 ASN 55 1HB ASN 55 0.679 -5.688 -8.767 373 HB3 ASN 55 2HB ASN 55 2.414 -5.682 -8.467 374 HD21 ASN 55 1HD2 ASN 55 0.131 -5.794 -10.807 375 HD22 ASN 55 2HD2 ASN 55 1.047 -6.524 -12.077 376 H ALA 56 H ALA 56 0.801 -8.582 -5.700 377 HA ALA 56 HA ALA 56 1.651 -6.694 -3.843 378 HB1 ALA 56 3HB ALA 56 0.147 -8.440 -3.192 379 HB2 ALA 56 1HB ALA 56 1.348 -9.679 -3.558 380 HB3 ALA 56 2HB ALA 56 1.604 -8.573 -2.208 381 H ASN 57 H ASN 57 3.418 -9.293 -5.412 382 HA ASN 57 HA ASN 57 5.766 -8.905 -3.764 383 HB2 ASN 57 1HB ASN 57 5.410 -10.589 -6.254 384 HB3 ASN 57 2HB ASN 57 6.771 -10.660 -5.138 385 HD21 ASN 57 1HD2 ASN 57 6.098 -11.056 -2.807 386 HD22 ASN 57 2HD2 ASN 57 4.901 -12.278 -2.561 387 H SER 58 H SER 58 4.812 -6.630 -5.290 388 HA SER 58 HA SER 58 7.263 -6.100 -6.814 389 HB2 SER 58 1HB SER 58 4.430 -5.662 -7.752 390 HB3 SER 58 2HB SER 58 5.787 -4.766 -8.435 391 HG SER 58 HG SER 58 6.036 -7.535 -8.269 392 H SER 59 H SER 59 7.537 -3.720 -7.234 393 HA SER 59 HA SER 59 7.468 -2.305 -4.815 394 HB2 SER 59 1HB SER 59 7.877 -0.292 -6.488 395 HB3 SER 59 2HB SER 59 9.120 -1.513 -6.218 396 HG SER 59 HG SER 59 7.630 -0.980 -8.467 397 H VAL 60 H VAL 60 5.231 -2.433 -7.498 398 HA VAL 60 HA VAL 60 3.480 -0.532 -6.078 399 HB VAL 60 HB VAL 60 3.792 -1.020 -9.035 400 HG11 VAL 60 1HG1 VAL 60 1.492 0.109 -7.511 401 HG12 VAL 60 2HG1 VAL 60 1.909 0.806 -9.078 402 HG13 VAL 60 3HG1 VAL 60 1.500 -0.905 -8.954 403 HG21 VAL 60 3HG2 VAL 60 3.903 1.570 -8.886 404 HG22 VAL 60 1HG2 VAL 60 4.248 1.282 -7.180 405 HG23 VAL 60 2HG2 VAL 60 5.311 0.616 -8.420 406 H ALA 61 H ALA 61 1.578 -1.278 -5.398 407 HA ALA 61 HA ALA 61 0.615 -3.840 -6.497 408 HB1 ALA 61 3HB ALA 61 0.039 -4.603 -4.411 409 HB2 ALA 61 1HB ALA 61 1.483 -3.665 -4.030 410 HB3 ALA 61 2HB ALA 61 -0.116 -2.980 -3.739 411 H THR 62 H THR 62 -1.751 -4.162 -6.288 412 HA THR 62 HA THR 62 -3.261 -1.640 -6.371 413 HB THR 62 HB THR 62 -3.457 -3.883 -8.389 414 HG1 THR 62 1HG THR 62 -2.953 -2.086 -9.823 415 HG21 THR 62 3HG2 THR 62 -5.617 -3.313 -8.551 416 HG22 THR 62 1HG2 THR 62 -5.048 -1.805 -9.266 417 HG23 THR 62 2HG2 THR 62 -5.400 -1.885 -7.539 418 H VAL 63 H VAL 63 -5.003 -1.676 -5.112 419 HA VAL 63 HA VAL 63 -6.030 -4.291 -4.225 420 HB VAL 63 HB VAL 63 -6.294 -1.629 -2.819 421 HG11 VAL 63 1HG1 VAL 63 -6.703 -3.629 -0.982 422 HG12 VAL 63 2HG1 VAL 63 -7.966 -2.684 -1.774 423 HG13 VAL 63 3HG1 VAL 63 -7.499 -4.255 -2.426 424 HG21 VAL 63 3HG2 VAL 63 -4.473 -2.113 -1.529 425 HG22 VAL 63 1HG2 VAL 63 -4.656 -3.856 -1.728 426 HG23 VAL 63 2HG2 VAL 63 -3.972 -2.886 -3.033 427 H THR 64 H THR 64 -7.897 -4.855 -5.105 428 HA THR 64 HA THR 64 -9.823 -2.737 -5.810 429 HB THR 64 HB THR 64 -10.614 -4.047 -7.644 430 HG1 THR 64 1HG THR 64 -8.729 -6.089 -7.149 431 HG21 THR 64 3HG2 THR 64 -8.892 -3.635 -9.047 432 HG22 THR 64 1HG2 THR 64 -7.753 -4.586 -8.095 433 HG23 THR 64 2HG2 THR 64 -8.143 -2.935 -7.612 434 H GLY 65 H GLY 65 -11.987 -3.048 -5.318 435 HA2 GLY 65 1HA GLY 65 -13.854 -4.217 -4.497 436 HA3 GLY 65 2HA GLY 65 -12.791 -5.528 -4.008 437 H LEU 66 H LEU 66 -12.504 -2.083 -3.248 438 HA LEU 66 HA LEU 66 -12.334 -2.756 -0.424 439 HB2 LEU 66 1HB LEU 66 -11.901 -0.190 -1.938 440 HB3 LEU 66 2HB LEU 66 -11.782 -0.321 -0.185 441 HG LEU 66 HG LEU 66 -10.092 -2.098 -1.884 442 HD11 LEU 66 1HD1 LEU 66 -9.155 -0.360 -2.914 443 HD12 LEU 66 2HD1 LEU 66 -8.481 0.069 -1.342 444 HD13 LEU 66 3HD1 LEU 66 -9.988 0.806 -1.885 445 HD21 LEU 66 3HD2 LEU 66 -9.136 -0.697 0.542 446 HD22 LEU 66 1HD2 LEU 66 -8.855 -2.351 -0.002 447 HD23 LEU 66 2HD2 LEU 66 -10.385 -1.923 0.763 448 H GLN 67 H GLN 67 -13.728 -2.047 1.154 449 HA GLN 67 HA GLN 67 -16.163 -0.665 0.243 450 HB2 GLN 67 1HB GLN 67 -16.133 -2.840 2.334 451 HB3 GLN 67 2HB GLN 67 -17.536 -2.084 1.591 452 HG2 GLN 67 1HG GLN 67 -17.108 -3.146 -0.491 453 HG3 GLN 67 2HG GLN 67 -15.536 -3.722 0.060 454 HE21 GLN 67 1HE2 GLN 67 -15.559 -5.816 0.393 455 HE22 GLN 67 2HE2 GLN 67 -16.853 -6.730 1.081 456 H VAL 68 H VAL 68 -17.294 0.536 1.889 457 HA VAL 68 HA VAL 68 -15.879 2.339 3.299 458 HB VAL 68 HB VAL 68 -18.462 1.152 4.321 459 HG11 VAL 68 1HG1 VAL 68 -18.059 4.011 4.622 460 HG12 VAL 68 2HG1 VAL 68 -18.534 2.804 5.818 461 HG13 VAL 68 3HG1 VAL 68 -16.827 3.068 5.459 462 HG21 VAL 68 3HG2 VAL 68 -17.860 2.705 1.933 463 HG22 VAL 68 1HG2 VAL 68 -19.320 1.817 2.368 464 HG23 VAL 68 2HG2 VAL 68 -19.081 3.463 2.955 465 H GLY 69 H GLY 69 -14.171 1.906 4.564 466 HA2 GLY 69 1HA GLY 69 -14.424 1.036 7.181 467 HA3 GLY 69 2HA GLY 69 -13.977 -0.382 6.243 468 H THR 70 H THR 70 -12.120 -0.177 7.825 469 HA THR 70 HA THR 70 -10.092 1.707 6.823 470 HB THR 70 HB THR 70 -9.897 0.175 9.410 471 HG1 THR 70 1HG THR 70 -11.455 1.416 10.113 472 HG21 THR 70 3HG2 THR 70 -8.731 2.868 8.806 473 HG22 THR 70 1HG2 THR 70 -7.927 1.403 8.244 474 HG23 THR 70 2HG2 THR 70 -8.195 1.656 9.969 475 H TYR 71 H TYR 71 -8.178 0.982 6.034 476 HA TYR 71 HA TYR 71 -7.642 -1.905 6.143 477 HB2 TYR 71 1HB TYR 71 -7.530 -0.164 3.673 478 HB3 TYR 71 2HB TYR 71 -6.912 -1.809 3.760 479 HD1 TYR 71 1HD TYR 71 -9.987 0.240 3.940 480 HD2 TYR 71 2HD TYR 71 -8.362 -3.673 3.554 481 HE1 TYR 71 1HE TYR 71 -12.215 -0.621 3.351 482 HE2 TYR 71 2HE TYR 71 -10.585 -4.544 2.963 483 HH TYR 71 HH TYR 71 -12.699 -3.733 2.057 484 H VAL 72 H VAL 72 -5.738 -2.202 7.071 485 HA VAL 72 HA VAL 72 -3.669 -0.132 6.772 486 HB VAL 72 HB VAL 72 -3.721 -2.333 8.834 487 HG11 VAL 72 1HG1 VAL 72 -2.310 -0.335 9.931 488 HG12 VAL 72 2HG1 VAL 72 -1.581 -1.604 8.945 489 HG13 VAL 72 3HG1 VAL 72 -1.963 -0.038 8.228 490 HG21 VAL 72 3HG2 VAL 72 -4.417 0.471 9.536 491 HG22 VAL 72 1HG2 VAL 72 -5.655 -0.534 8.784 492 HG23 VAL 72 2HG2 VAL 72 -4.908 -1.041 10.300 493 H PHE 73 H PHE 73 -2.424 -0.639 5.070 494 HA PHE 73 HA PHE 73 -1.586 -3.428 4.708 495 HB2 PHE 73 1HB PHE 73 -1.328 -1.090 2.805 496 HB3 PHE 73 2HB PHE 73 -0.928 -2.767 2.447 497 HD1 PHE 73 1HD PHE 73 -2.725 -4.457 2.288 498 HD2 PHE 73 2HD PHE 73 -3.560 -0.305 2.709 499 HE1 PHE 73 1HE PHE 73 -5.032 -4.847 1.526 500 HE2 PHE 73 2HE PHE 73 -5.868 -0.687 1.948 501 HZ PHE 73 HZ PHE 73 -6.607 -2.961 1.356 502 H THR 74 H THR 74 0.345 -4.006 5.421 503 HA THR 74 HA THR 74 2.340 -1.943 5.994 504 HB THR 74 HB THR 74 2.132 -4.830 6.854 505 HG1 THR 74 1HG THR 74 0.863 -3.132 7.926 506 HG21 THR 74 3HG2 THR 74 4.146 -4.275 8.272 507 HG22 THR 74 1HG2 THR 74 4.363 -2.844 7.265 508 HG23 THR 74 2HG2 THR 74 4.462 -4.452 6.546 509 H LEU 75 H LEU 75 3.724 -1.515 4.407 510 HA LEU 75 HA LEU 75 4.454 -3.606 2.505 511 HB2 LEU 75 1HB LEU 75 3.961 -1.713 1.311 512 HB3 LEU 75 2HB LEU 75 4.600 -0.636 2.551 513 HG LEU 75 HG LEU 75 6.907 -1.429 1.847 514 HD11 LEU 75 1HD1 LEU 75 7.230 -2.727 0.021 515 HD12 LEU 75 2HD1 LEU 75 5.775 -2.147 -0.789 516 HD13 LEU 75 3HD1 LEU 75 5.650 -3.354 0.491 517 HD21 LEU 75 3HD2 LEU 75 6.959 0.530 0.808 518 HD22 LEU 75 1HD2 LEU 75 5.195 0.551 0.808 519 HD23 LEU 75 2HD2 LEU 75 6.068 -0.136 -0.562 520 H THR 76 H THR 76 6.149 -4.830 2.971 521 HA THR 76 HA THR 76 8.324 -3.714 4.595 522 HB THR 76 HB THR 76 7.872 -6.613 3.873 523 HG1 THR 76 1HG THR 76 6.286 -5.290 5.327 524 HG21 THR 76 3HG2 THR 76 9.294 -6.909 5.963 525 HG22 THR 76 1HG2 THR 76 9.679 -5.194 5.818 526 HG23 THR 76 2HG2 THR 76 10.122 -6.309 4.526 527 H VAL 77 H VAL 77 10.308 -3.385 3.788 528 HA VAL 77 HA VAL 77 10.996 -4.572 1.189 529 HB VAL 77 HB VAL 77 12.026 -2.459 0.468 530 HG11 VAL 77 1HG1 VAL 77 10.058 -2.391 -0.591 531 HG12 VAL 77 2HG1 VAL 77 9.164 -2.877 0.850 532 HG13 VAL 77 3HG1 VAL 77 9.603 -1.185 0.612 533 HG21 VAL 77 3HG2 VAL 77 12.320 -0.712 1.820 534 HG22 VAL 77 1HG2 VAL 77 10.622 -0.713 2.296 535 HG23 VAL 77 2HG2 VAL 77 11.776 -1.743 3.144 536 H LYS 78 H LYS 78 13.140 -5.083 0.899 537 HA LYS 78 HA LYS 78 14.869 -4.729 3.259 538 HB2 LYS 78 1HB LYS 78 14.405 -7.034 1.436 539 HB3 LYS 78 2HB LYS 78 16.039 -6.801 2.042 540 HG2 LYS 78 1HG LYS 78 15.290 -6.971 4.310 541 HG3 LYS 78 2HG LYS 78 13.601 -6.997 3.796 542 HD2 LYS 78 1HD LYS 78 13.905 -9.128 2.723 543 HD3 LYS 78 2HD LYS 78 15.643 -9.080 3.027 544 HE2 LYS 78 1HE LYS 78 13.605 -9.020 5.239 545 HE3 LYS 78 2HE LYS 78 14.248 -10.525 4.582 546 HZ1 LYS 78 3HZ LYS 78 15.375 -9.530 6.626 547 HZ2 LYS 78 1HZ LYS 78 16.047 -8.399 5.562 548 HZ3 LYS 78 2HZ LYS 78 16.369 -10.046 5.358 549 H ASP 79 H ASP 79 17.174 -4.551 2.845 550 HA ASP 79 HA ASP 79 17.751 -3.335 0.222 551 HB2 ASP 79 1HB ASP 79 19.338 -2.570 2.631 552 HB3 ASP 79 2HB ASP 79 18.939 -1.621 1.201 553 H GLU 80 H GLU 80 20.313 -3.170 0.023 554 HA GLU 80 HA GLU 80 21.276 -5.689 -0.515 555 HB2 GLU 80 1HB GLU 80 22.240 -3.494 -1.289 556 HB3 GLU 80 2HB GLU 80 23.012 -3.351 0.284 557 HG2 GLU 80 1HG GLU 80 24.129 -5.552 -0.182 558 HG3 GLU 80 2HG GLU 80 23.513 -5.427 -1.829 559 H ARG 81 H ARG 81 21.492 -3.857 2.477 560 HA ARG 81 HA ARG 81 23.181 -5.844 3.740 561 HB2 ARG 81 1HB ARG 81 21.914 -3.282 4.692 562 HB3 ARG 81 2HB ARG 81 22.754 -4.371 5.788 563 HG2 ARG 81 1HG ARG 81 24.750 -4.160 4.240 564 HG3 ARG 81 2HG ARG 81 23.883 -2.824 3.479 565 HD2 ARG 81 1HD ARG 81 24.051 -1.478 5.337 566 HD3 ARG 81 2HD ARG 81 24.200 -2.844 6.442 567 HE ARG 81 HE ARG 81 26.320 -1.413 5.274 568 HH11 ARG 81 2HH1 ARG 81 25.348 -4.678 5.990 569 HH12 ARG 81 1HH1 ARG 81 26.971 -5.267 6.140 570 HH21 ARG 81 2HH2 ARG 81 28.461 -2.176 5.469 571 HH22 ARG 81 1HH2 ARG 81 28.740 -3.842 5.844 572 H ASN 82 H ASN 82 20.500 -6.591 2.759 573 HA ASN 82 HA ASN 82 18.584 -7.650 3.432 574 HB2 ASN 82 1HB ASN 82 20.701 -8.695 5.305 575 HB3 ASN 82 2HB ASN 82 19.059 -9.330 5.317 576 HD21 ASN 82 1HD2 ASN 82 21.917 -10.187 4.390 577 HD22 ASN 82 2HD2 ASN 82 21.595 -10.968 2.882 578 H LEU 83 H LEU 83 19.048 -5.000 4.625 579 HA LEU 83 HA LEU 83 18.206 -5.082 7.352 580 HB2 LEU 83 1HB LEU 83 18.510 -2.939 5.291 581 HB3 LEU 83 2HB LEU 83 17.671 -2.593 6.801 582 HG LEU 83 HG LEU 83 20.443 -3.738 6.805 583 HD11 LEU 83 1HD1 LEU 83 20.726 -1.826 5.446 584 HD12 LEU 83 2HD1 LEU 83 21.206 -1.347 7.074 585 HD13 LEU 83 3HD1 LEU 83 19.632 -0.865 6.441 586 HD21 LEU 83 3HD2 LEU 83 19.014 -3.663 8.870 587 HD22 LEU 83 1HD2 LEU 83 19.065 -1.904 8.754 588 HD23 LEU 83 2HD2 LEU 83 20.556 -2.816 8.991 589 H GLN 84 H GLN 84 16.227 -5.391 8.115 590 HA GLN 84 HA GLN 84 13.975 -5.464 6.287 591 HB2 GLN 84 1HB GLN 84 14.517 -6.421 9.049 592 HB3 GLN 84 2HB GLN 84 12.846 -6.061 8.635 593 HG2 GLN 84 1HG GLN 84 12.702 -7.770 7.126 594 HG3 GLN 84 2HG GLN 84 14.431 -7.762 6.786 595 HE21 GLN 84 1HE2 GLN 84 12.904 -10.066 7.307 596 HE22 GLN 84 2HE2 GLN 84 13.481 -10.772 8.774 597 H SER 85 H SER 85 12.586 -3.855 6.005 598 HA SER 85 HA SER 85 11.933 -2.041 8.164 599 HB2 SER 85 1HB SER 85 12.935 -0.817 5.600 600 HB3 SER 85 2HB SER 85 12.657 -0.034 7.156 601 HG SER 85 HG SER 85 14.654 -0.459 7.601 602 H GLN 86 H GLN 86 9.802 -1.865 8.114 603 HA GLN 86 HA GLN 86 8.455 -1.690 5.506 604 HB2 GLN 86 1HB GLN 86 6.727 -3.166 6.182 605 HB3 GLN 86 2HB GLN 86 8.238 -3.969 6.588 606 HG2 GLN 86 1HG GLN 86 7.854 -2.844 8.919 607 HG3 GLN 86 2HG GLN 86 6.178 -2.785 8.378 608 HE21 GLN 86 1HE2 GLN 86 7.997 -4.444 10.323 609 HE22 GLN 86 2HE2 GLN 86 7.406 -6.050 10.090 610 H SER 87 H SER 87 6.238 -0.768 5.675 611 HA SER 87 HA SER 87 5.771 0.911 8.010 612 HB2 SER 87 1HB SER 87 7.217 2.149 6.260 613 HB3 SER 87 2HB SER 87 5.746 2.201 5.289 614 HG SER 87 HG SER 87 6.403 3.901 7.101 615 H SER 88 H SER 88 3.647 1.282 8.398 616 HA SER 88 HA SER 88 1.748 0.010 6.564 617 HB2 SER 88 1HB SER 88 1.159 0.975 9.362 618 HB3 SER 88 2HB SER 88 0.266 -0.210 8.409 619 HG SER 88 HG SER 88 2.515 -1.308 8.498 620 H VAL 89 H VAL 89 0.030 1.076 5.675 621 HA VAL 89 HA VAL 89 -0.062 3.993 6.098 622 HB VAL 89 HB VAL 89 0.781 3.482 3.874 623 HG11 VAL 89 1HG1 VAL 89 -0.001 1.855 2.558 624 HG12 VAL 89 2HG1 VAL 89 -0.889 1.298 3.977 625 HG13 VAL 89 3HG1 VAL 89 -1.676 2.348 2.799 626 HG21 VAL 89 3HG2 VAL 89 -1.212 5.226 4.461 627 HG22 VAL 89 1HG2 VAL 89 -0.401 5.129 2.898 628 HG23 VAL 89 2HG2 VAL 89 -1.943 4.310 3.143 629 H ASN 90 H ASN 90 -1.986 4.907 6.552 630 HA ASN 90 HA ASN 90 -4.221 3.149 7.087 631 HB2 ASN 90 1HB ASN 90 -3.697 6.072 7.605 632 HB3 ASN 90 2HB ASN 90 -5.273 5.343 7.900 633 HD21 ASN 90 1HD2 ASN 90 -3.514 6.549 9.813 634 HD22 ASN 90 2HD2 ASN 90 -3.107 5.327 10.966 635 H VAL 91 H VAL 91 -5.626 2.650 5.550 636 HA VAL 91 HA VAL 91 -6.182 4.627 3.439 637 HB VAL 91 HB VAL 91 -6.509 1.625 3.382 638 HG11 VAL 91 1HG1 VAL 91 -7.361 1.790 1.208 639 HG12 VAL 91 2HG1 VAL 91 -8.222 3.039 2.110 640 HG13 VAL 91 3HG1 VAL 91 -6.881 3.480 1.052 641 HG21 VAL 91 3HG2 VAL 91 -4.845 2.530 1.311 642 HG22 VAL 91 1HG2 VAL 91 -4.310 3.364 2.771 643 HG23 VAL 91 2HG2 VAL 91 -4.381 1.602 2.738 644 H ILE 92 H ILE 92 -7.929 5.758 4.056 645 HA ILE 92 HA ILE 92 -10.183 4.365 5.295 646 HB ILE 92 HB ILE 92 -9.624 7.309 4.940 647 HG12 ILE 92 1HG1 ILE 92 -9.987 5.959 7.577 648 HG13 ILE 92 2HG1 ILE 92 -8.465 5.722 6.725 649 HG21 ILE 92 1HG2 ILE 92 -11.660 7.247 6.689 650 HG22 ILE 92 2HG2 ILE 92 -11.878 7.449 4.951 651 HG23 ILE 92 3HG2 ILE 92 -12.082 5.859 5.686 652 HD11 ILE 92 3HD1 ILE 92 -8.107 8.124 6.674 653 HD12 ILE 92 1HD1 ILE 92 -9.646 8.379 7.496 654 HD13 ILE 92 2HD1 ILE 92 -8.330 7.548 8.326 655 H VAL 93 H VAL 93 -12.190 4.228 4.386 656 HA VAL 93 HA VAL 93 -12.482 5.275 1.645 657 HB VAL 93 HB VAL 93 -13.430 2.614 2.714 658 HG11 VAL 93 1HG1 VAL 93 -14.046 4.047 0.145 659 HG12 VAL 93 2HG1 VAL 93 -14.203 2.298 0.316 660 HG13 VAL 93 3HG1 VAL 93 -15.173 3.374 1.323 661 HG21 VAL 93 3HG2 VAL 93 -11.002 3.342 1.581 662 HG22 VAL 93 1HG2 VAL 93 -11.639 1.706 1.749 663 HG23 VAL 93 2HG2 VAL 93 -11.901 2.605 0.255 664 H LYS 94 H LYS 94 -14.036 6.742 1.541 665 HA LYS 94 HA LYS 94 -16.247 6.618 3.473 666 HB2 LYS 94 1HB LYS 94 -15.059 8.880 1.878 667 HB3 LYS 94 2HB LYS 94 -16.629 9.021 2.656 668 HG2 LYS 94 1HG LYS 94 -15.721 8.907 4.793 669 HG3 LYS 94 2HG LYS 94 -14.213 8.194 4.216 670 HD2 LYS 94 1HD LYS 94 -13.617 10.301 3.140 671 HD3 LYS 94 2HD LYS 94 -15.141 11.015 3.673 672 HE2 LYS 94 1HE LYS 94 -13.595 11.770 5.245 673 HE3 LYS 94 2HE LYS 94 -14.364 10.399 6.042 674 HZ1 LYS 94 3HZ LYS 94 -11.675 10.770 5.661 675 HZ2 LYS 94 1HZ LYS 94 -12.095 9.588 4.526 676 HZ3 LYS 94 2HZ LYS 94 -12.432 9.343 6.166 677 H GLU 95 H GLU 95 -18.320 7.710 2.504 678 HA GLU 95 HA GLU 95 -18.959 6.193 0.085 679 HB2 GLU 95 1HB GLU 95 -20.785 7.583 2.053 680 HB3 GLU 95 2HB GLU 95 -21.308 6.599 0.694 681 HG2 GLU 95 1HG GLU 95 -20.229 4.647 1.689 682 HG3 GLU 95 2HG GLU 95 -19.709 5.633 3.054 683 H GLU 96 H GLU 96 -19.926 7.126 -1.722 684 HA GLU 96 HA GLU 96 -18.978 9.486 -2.680 685 HB2 GLU 96 1HB GLU 96 -20.172 7.827 -4.049 686 HB3 GLU 96 2HB GLU 96 -21.689 8.301 -3.299 687 HG2 GLU 96 1HG GLU 96 -21.430 10.556 -4.230 688 HG3 GLU 96 2HG GLU 96 -19.936 10.045 -5.014 689 H SER 97 H SER 97 -19.315 11.590 -2.353 690 HA SER 97 HA SER 97 -21.468 12.367 -0.520 691 HB2 SER 97 1HB SER 97 -19.087 14.011 -1.406 692 HB3 SER 97 2HB SER 97 -20.191 14.369 -0.078 693 HG SER 97 HG SER 97 -19.322 12.754 1.099 694 H GLY 98 H GLY 98 -23.281 12.813 -1.626 695 HA2 GLY 98 1HA GLY 98 -23.169 14.099 -4.224 696 HA3 GLY 98 2HA GLY 98 -24.615 13.550 -3.390 697 HA PRO 99 HA PRO 99 -24.665 18.151 -3.238 698 HB2 PRO 99 1HB PRO 99 -27.340 18.351 -3.656 699 HB3 PRO 99 2HB PRO 99 -26.169 18.216 -4.973 700 HG2 PRO 99 1HG PRO 99 -27.885 16.096 -3.738 701 HG3 PRO 99 2HG PRO 99 -27.529 16.391 -5.450 702 HD2 PRO 99 1HD PRO 99 -26.280 14.465 -4.014 703 HD3 PRO 99 2HD PRO 99 -25.481 15.340 -5.336 704 H SER 100 H SER 100 -25.522 19.525 -1.638 705 HA SER 100 HA SER 100 -26.806 18.137 0.624 706 HB2 SER 100 1HB SER 100 -25.566 19.561 2.150 707 HB3 SER 100 2HB SER 100 -24.433 18.755 1.065 708 HG SER 100 HG SER 100 -24.739 20.811 -0.232 709 H SER 101 H SER 101 -28.313 19.317 1.859 710 HA SER 101 HA SER 101 -30.249 20.702 0.634 711 HB2 SER 101 1HB SER 101 -30.915 21.626 2.773 712 HB3 SER 101 2HB SER 101 -30.276 20.003 3.032 713 HG SER 101 HG SER 101 -28.527 20.820 3.985 714 H GLY 102 H GLY 102 -30.566 22.631 -0.292 715 HA2 GLY 102 1HA GLY 102 -29.972 24.642 -1.259 716 HA3 GLY 102 2HA GLY 102 -29.666 25.099 0.410 Start of MODEL 12 1 H1 GLY 1 H GLY 1 26.322 6.251 19.061 2 HA2 GLY 1 1HA GLY 1 28.989 7.155 18.825 3 HA3 GLY 1 2HA GLY 1 28.781 5.697 17.865 4 H SER 2 H SER 2 26.338 5.933 16.781 5 HA SER 2 HA SER 2 26.597 8.364 15.144 6 HB2 SER 2 1HB SER 2 25.574 7.158 13.340 7 HB3 SER 2 2HB SER 2 26.829 6.119 14.014 8 HG SER 2 HG SER 2 24.180 5.675 13.815 9 H SER 3 H SER 3 24.761 9.566 14.593 10 HA SER 3 HA SER 3 22.207 8.887 15.795 11 HB2 SER 3 1HB SER 3 22.000 10.839 17.146 12 HB3 SER 3 2HB SER 3 23.569 10.138 17.543 13 HG SER 3 HG SER 3 23.625 12.430 17.187 14 H GLY 4 H GLY 4 20.671 9.342 14.368 15 HA2 GLY 4 1HA GLY 4 20.129 11.701 13.113 16 HA3 GLY 4 2HA GLY 4 21.261 10.907 12.028 17 H SER 5 H SER 5 19.204 11.227 10.679 18 HA SER 5 HA SER 5 16.949 9.594 11.120 19 HB2 SER 5 1HB SER 5 18.061 11.083 8.779 20 HB3 SER 5 2HB SER 5 16.784 9.901 8.494 21 HG SER 5 HG SER 5 15.687 11.088 10.303 22 H SER 6 H SER 6 16.373 7.592 10.319 23 HA SER 6 HA SER 6 18.622 5.877 9.577 24 HB2 SER 6 1HB SER 6 15.808 5.067 10.341 25 HB3 SER 6 2HB SER 6 17.216 4.013 10.217 26 HG SER 6 HG SER 6 16.453 5.030 12.378 27 H GLY 7 H GLY 7 15.402 6.822 8.458 28 HA2 GLY 7 1HA GLY 7 14.541 6.864 6.319 29 HA3 GLY 7 2HA GLY 7 16.134 6.418 5.725 30 H GLN 8 H GLN 8 12.976 5.336 6.464 31 HA GLN 8 HA GLN 8 13.739 2.607 5.664 32 HB2 GLN 8 1HB GLN 8 11.544 3.338 7.610 33 HB3 GLN 8 2HB GLN 8 12.006 1.713 7.121 34 HG2 GLN 8 1HG GLN 8 14.168 1.977 8.179 35 HG3 GLN 8 2HG GLN 8 13.773 3.639 8.611 36 HE21 GLN 8 1HE2 GLN 8 14.545 1.788 10.499 37 HE22 GLN 8 2HE2 GLN 8 13.208 1.435 11.534 38 H ALA 9 H ALA 9 11.421 1.423 5.208 39 HA ALA 9 HA ALA 9 10.594 2.256 2.726 40 HB1 ALA 9 3HB ALA 9 10.107 0.070 4.072 41 HB2 ALA 9 1HB ALA 9 8.617 0.908 4.508 42 HB3 ALA 9 2HB ALA 9 8.995 0.605 2.812 43 H ASP 10 H ASP 10 8.795 3.370 1.919 44 HA ASP 10 HA ASP 10 7.402 5.100 3.852 45 HB2 ASP 10 1HB ASP 10 8.899 5.823 1.385 46 HB3 ASP 10 2HB ASP 10 7.410 6.705 1.714 47 H ALA 11 H ALA 11 5.866 3.225 3.602 48 HA ALA 11 HA ALA 11 4.512 2.362 1.458 49 HB1 ALA 11 3HB ALA 11 3.988 1.764 3.799 50 HB2 ALA 11 1HB ALA 11 3.129 3.295 3.969 51 HB3 ALA 11 2HB ALA 11 2.550 2.079 2.829 52 H GLY 12 H GLY 12 4.256 5.584 2.835 53 HA2 GLY 12 1HA GLY 12 3.789 7.352 1.159 54 HA3 GLY 12 2HA GLY 12 2.489 6.319 0.581 55 HA PRO 13 HA PRO 13 1.012 9.405 3.855 56 HB2 PRO 13 1HB PRO 13 -0.511 10.945 2.219 57 HB3 PRO 13 2HB PRO 13 1.194 11.281 2.541 58 HG2 PRO 13 1HG PRO 13 -0.055 9.914 0.189 59 HG3 PRO 13 2HG PRO 13 1.244 11.121 0.222 60 HD2 PRO 13 1HD PRO 13 1.722 8.472 -0.072 61 HD3 PRO 13 2HD PRO 13 2.851 9.559 0.762 62 H ASP 14 H ASP 14 -1.265 9.767 4.468 63 HA ASP 14 HA ASP 14 -2.777 7.455 4.463 64 HB2 ASP 14 1HB ASP 14 -4.396 8.646 5.616 65 HB3 ASP 14 2HB ASP 14 -2.971 9.646 5.885 66 H LYS 15 H LYS 15 -4.473 6.664 3.279 67 HA LYS 15 HA LYS 15 -4.882 7.925 0.656 68 HB2 LYS 15 1HB LYS 15 -5.184 5.077 1.602 69 HB3 LYS 15 2HB LYS 15 -5.810 5.628 0.053 70 HG2 LYS 15 1HG LYS 15 -2.953 6.140 0.713 71 HG3 LYS 15 2HG LYS 15 -3.449 4.514 0.237 72 HD2 LYS 15 1HD LYS 15 -4.096 5.198 -1.886 73 HD3 LYS 15 2HD LYS 15 -4.270 6.885 -1.397 74 HE2 LYS 15 1HE LYS 15 -1.712 6.751 -0.970 75 HE3 LYS 15 2HE LYS 15 -1.786 5.336 -2.019 76 HZ1 LYS 15 3HZ LYS 15 -3.202 7.540 -3.136 77 HZ2 LYS 15 1HZ LYS 15 -1.944 6.624 -3.801 78 HZ3 LYS 15 2HZ LYS 15 -1.593 7.952 -2.815 79 H GLU 16 H GLU 16 -6.863 8.561 -0.009 80 HA GLU 16 HA GLU 16 -9.173 7.894 1.683 81 HB2 GLU 16 1HB GLU 16 -8.074 10.286 1.941 82 HB3 GLU 16 2HB GLU 16 -8.987 10.619 0.477 83 HG2 GLU 16 1HG GLU 16 -10.959 9.569 1.855 84 HG3 GLU 16 2HG GLU 16 -9.954 10.037 3.225 85 H LEU 17 H LEU 17 -10.267 6.587 0.332 86 HA LEU 17 HA LEU 17 -10.661 7.447 -2.448 87 HB2 LEU 17 1HB LEU 17 -11.257 4.770 -1.199 88 HB3 LEU 17 2HB LEU 17 -11.323 5.171 -2.914 89 HG LEU 17 HG LEU 17 -8.754 5.383 -1.381 90 HD11 LEU 17 1HD1 LEU 17 -9.354 2.916 -2.917 91 HD12 LEU 17 2HD1 LEU 17 -10.025 3.063 -1.293 92 HD13 LEU 17 3HD1 LEU 17 -8.282 3.163 -1.539 93 HD21 LEU 17 3HD2 LEU 17 -8.741 4.458 -4.140 94 HD22 LEU 17 1HD2 LEU 17 -7.840 5.769 -3.379 95 HD23 LEU 17 2HD2 LEU 17 -9.485 6.046 -3.951 96 H THR 18 H THR 18 -12.764 7.369 -3.385 97 HA THR 18 HA THR 18 -14.991 7.381 -1.464 98 HB THR 18 HB THR 18 -14.662 9.408 -3.683 99 HG1 THR 18 1HG THR 18 -13.227 9.933 -2.051 100 HG21 THR 18 3HG2 THR 18 -16.592 10.494 -2.682 101 HG22 THR 18 1HG2 THR 18 -16.674 9.251 -1.435 102 HG23 THR 18 2HG2 THR 18 -16.996 8.834 -3.118 103 H LEU 19 H LEU 19 -16.327 5.806 -2.046 104 HA LEU 19 HA LEU 19 -16.386 4.324 -4.312 105 HB2 LEU 19 1HB LEU 19 -18.513 5.098 -2.374 106 HB3 LEU 19 2HB LEU 19 -18.966 4.192 -3.816 107 HG LEU 19 HG LEU 19 -18.601 2.823 -1.744 108 HD11 LEU 19 1HD1 LEU 19 -16.937 2.283 -4.195 109 HD12 LEU 19 2HD1 LEU 19 -18.584 1.743 -3.872 110 HD13 LEU 19 3HD1 LEU 19 -17.243 1.096 -2.926 111 HD21 LEU 19 3HD2 LEU 19 -16.290 2.343 -1.101 112 HD22 LEU 19 1HD2 LEU 19 -16.690 4.042 -0.849 113 HD23 LEU 19 2HD2 LEU 19 -15.718 3.562 -2.240 114 HA PRO 20 HA PRO 20 -18.288 3.247 -5.429 115 HB2 PRO 20 1HB PRO 20 -18.048 2.608 -8.056 116 HB3 PRO 20 2HB PRO 20 -19.572 3.133 -7.330 117 HG2 PRO 20 1HG PRO 20 -17.589 4.712 -8.922 118 HG3 PRO 20 2HG PRO 20 -19.359 4.718 -9.018 119 HD2 PRO 20 1HD PRO 20 -17.965 6.636 -7.711 120 HD3 PRO 20 2HD PRO 20 -19.579 6.109 -7.194 121 H VAL 21 H VAL 21 -15.778 5.253 -6.408 122 HA VAL 21 HA VAL 21 -13.835 3.632 -7.481 123 HB VAL 21 HB VAL 21 -13.352 5.736 -5.368 124 HG11 VAL 21 1HG1 VAL 21 -11.318 4.664 -5.651 125 HG12 VAL 21 2HG1 VAL 21 -11.604 4.351 -7.364 126 HG13 VAL 21 3HG1 VAL 21 -11.218 5.983 -6.816 127 HG21 VAL 21 3HG2 VAL 21 -12.923 7.137 -7.510 128 HG22 VAL 21 1HG2 VAL 21 -13.934 5.925 -8.297 129 HG23 VAL 21 2HG2 VAL 21 -14.581 6.883 -6.965 130 H ASP 22 H ASP 22 -13.911 1.534 -6.678 131 HA ASP 22 HA ASP 22 -13.117 1.184 -3.866 132 HB2 ASP 22 1HB ASP 22 -13.839 -1.264 -4.399 133 HB3 ASP 22 2HB ASP 22 -15.076 -0.041 -4.120 134 H SER 23 H SER 23 -11.141 1.952 -5.638 135 HA SER 23 HA SER 23 -9.317 -0.263 -5.394 136 HB2 SER 23 1HB SER 23 -8.676 -0.333 -7.764 137 HB3 SER 23 2HB SER 23 -10.372 -0.770 -7.561 138 HG SER 23 HG SER 23 -10.938 1.314 -8.224 139 H THR 24 H THR 24 -7.294 0.442 -5.037 140 HA THR 24 HA THR 24 -6.580 3.174 -5.835 141 HB THR 24 HB THR 24 -7.357 3.147 -3.435 142 HG1 THR 24 1HG THR 24 -6.028 4.819 -3.925 143 HG21 THR 24 3HG2 THR 24 -4.921 1.395 -3.163 144 HG22 THR 24 1HG2 THR 24 -6.571 1.049 -2.647 145 HG23 THR 24 2HG2 THR 24 -5.623 2.277 -1.808 146 H THR 25 H THR 25 -4.159 3.553 -5.317 147 HA THR 25 HA THR 25 -2.660 1.104 -5.986 148 HB THR 25 HB THR 25 -1.084 2.548 -7.260 149 HG1 THR 25 1HG THR 25 -3.078 4.520 -6.749 150 HG21 THR 25 3HG2 THR 25 -2.351 2.572 -9.226 151 HG22 THR 25 1HG2 THR 25 -3.847 2.940 -8.368 152 HG23 THR 25 2HG2 THR 25 -3.132 1.332 -8.244 153 H LEU 26 H LEU 26 -0.945 0.631 -4.749 154 HA LEU 26 HA LEU 26 -0.141 2.610 -2.726 155 HB2 LEU 26 1HB LEU 26 0.174 -0.387 -2.685 156 HB3 LEU 26 2HB LEU 26 0.630 0.720 -1.392 157 HG LEU 26 HG LEU 26 -2.210 0.427 -2.342 158 HD11 LEU 26 1HD1 LEU 26 -2.627 -1.231 -0.769 159 HD12 LEU 26 2HD1 LEU 26 -1.115 -0.937 0.089 160 HD13 LEU 26 3HD1 LEU 26 -1.095 -1.730 -1.487 161 HD21 LEU 26 3HD2 LEU 26 -1.548 2.451 -1.048 162 HD22 LEU 26 1HD2 LEU 26 -1.083 1.390 0.282 163 HD23 LEU 26 2HD2 LEU 26 -2.763 1.452 -0.250 164 H ASP 27 H ASP 27 1.360 3.670 -4.074 165 HA ASP 27 HA ASP 27 3.544 2.175 -5.237 166 HB2 ASP 27 1HB ASP 27 2.802 4.064 -6.494 167 HB3 ASP 27 2HB ASP 27 2.911 5.123 -5.090 168 H GLY 28 H GLY 28 5.535 1.891 -4.409 169 HA2 GLY 28 1HA GLY 28 6.294 3.445 -2.028 170 HA3 GLY 28 2HA GLY 28 6.351 1.689 -1.968 171 H SER 29 H SER 29 7.255 3.827 -4.642 172 HA SER 29 HA SER 29 9.629 2.434 -5.205 173 HB2 SER 29 1HB SER 29 10.185 4.449 -6.612 174 HB3 SER 29 2HB SER 29 8.600 3.746 -6.935 175 HG SER 29 HG SER 29 8.364 5.958 -6.763 176 H LYS 30 H LYS 30 9.143 5.586 -3.620 177 HA LYS 30 HA LYS 30 11.924 5.774 -2.888 178 HB2 LYS 30 1HB LYS 30 9.550 7.464 -2.078 179 HB3 LYS 30 2HB LYS 30 11.231 7.845 -1.727 180 HG2 LYS 30 1HG LYS 30 11.711 8.367 -3.922 181 HG3 LYS 30 2HG LYS 30 10.361 7.419 -4.551 182 HD2 LYS 30 1HD LYS 30 8.780 9.048 -3.831 183 HD3 LYS 30 2HD LYS 30 10.004 9.914 -2.899 184 HE2 LYS 30 1HE LYS 30 9.596 11.130 -4.922 185 HE3 LYS 30 2HE LYS 30 11.194 10.395 -5.030 186 HZ1 LYS 30 3HZ LYS 30 10.168 8.584 -6.334 187 HZ2 LYS 30 1HZ LYS 30 10.059 10.091 -7.094 188 HZ3 LYS 30 2HZ LYS 30 8.704 9.431 -6.326 189 H SER 31 H SER 31 11.063 3.426 -1.888 190 HA SER 31 HA SER 31 10.398 3.847 0.929 191 HB2 SER 31 1HB SER 31 10.153 1.366 0.988 192 HB3 SER 31 2HB SER 31 9.103 2.134 -0.203 193 HG SER 31 HG SER 31 10.112 1.100 -1.726 194 H SER 32 H SER 32 12.893 4.786 0.275 195 HA SER 32 HA SER 32 14.540 3.459 2.133 196 HB2 SER 32 1HB SER 32 14.698 1.815 0.252 197 HB3 SER 32 2HB SER 32 15.410 3.086 -0.742 198 HG SER 32 HG SER 32 16.557 2.602 1.752 199 H ASP 33 H ASP 33 16.378 4.643 2.640 200 HA ASP 33 HA ASP 33 16.584 7.238 1.264 201 HB2 ASP 33 1HB ASP 33 15.907 7.318 3.655 202 HB3 ASP 33 2HB ASP 33 17.429 6.541 4.084 203 H ASP 34 H ASP 34 18.382 7.682 0.179 204 HA ASP 34 HA ASP 34 20.422 7.349 -0.800 205 HB2 ASP 34 1HB ASP 34 21.305 6.924 2.060 206 HB3 ASP 34 2HB ASP 34 22.293 7.497 0.719 207 H GLN 35 H GLN 35 18.830 5.000 -0.702 208 HA GLN 35 HA GLN 35 20.938 3.018 -0.960 209 HB2 GLN 35 1HB GLN 35 18.793 2.914 1.100 210 HB3 GLN 35 2HB GLN 35 19.219 1.412 0.291 211 HG2 GLN 35 1HG GLN 35 21.552 1.720 0.966 212 HG3 GLN 35 2HG GLN 35 21.105 3.207 1.800 213 HE21 GLN 35 1HE2 GLN 35 21.323 -0.174 1.983 214 HE22 GLN 35 2HE2 GLN 35 20.626 -0.375 3.551 215 H LYS 36 H LYS 36 19.757 0.820 -1.634 216 HA LYS 36 HA LYS 36 17.719 1.530 -3.642 217 HB2 LYS 36 1HB LYS 36 19.980 1.073 -4.613 218 HB3 LYS 36 2HB LYS 36 19.884 -0.556 -3.958 219 HG2 LYS 36 1HG LYS 36 17.985 -1.057 -5.351 220 HG3 LYS 36 2HG LYS 36 17.932 0.609 -5.932 221 HD2 LYS 36 1HD LYS 36 20.462 -0.922 -6.263 222 HD3 LYS 36 2HD LYS 36 19.106 -1.309 -7.324 223 HE2 LYS 36 1HE LYS 36 18.962 1.112 -7.902 224 HE3 LYS 36 2HE LYS 36 20.430 1.377 -6.963 225 HZ1 LYS 36 3HZ LYS 36 21.613 0.802 -8.726 226 HZ2 LYS 36 1HZ LYS 36 20.203 0.536 -9.623 227 HZ3 LYS 36 2HZ LYS 36 20.896 -0.730 -8.743 228 H ILE 37 H ILE 37 16.053 0.085 -3.985 229 HA ILE 37 HA ILE 37 15.454 -1.670 -1.793 230 HB ILE 37 HB ILE 37 13.929 -1.307 -4.374 231 HG12 ILE 37 1HG1 ILE 37 14.134 0.836 -3.279 232 HG13 ILE 37 2HG1 ILE 37 12.501 0.232 -3.021 233 HG21 ILE 37 1HG2 ILE 37 13.356 -2.692 -1.794 234 HG22 ILE 37 2HG2 ILE 37 12.031 -1.983 -2.716 235 HG23 ILE 37 3HG2 ILE 37 13.050 -3.223 -3.447 236 HD11 ILE 37 3HD1 ILE 37 13.245 1.172 -0.982 237 HD12 ILE 37 1HD1 ILE 37 13.260 -0.580 -0.779 238 HD13 ILE 37 2HD1 ILE 37 14.770 0.290 -1.055 239 H ILE 38 H ILE 38 15.039 -3.915 -1.919 240 HA ILE 38 HA ILE 38 16.426 -5.263 -4.143 241 HB ILE 38 HB ILE 38 17.337 -5.363 -1.668 242 HG12 ILE 38 1HG1 ILE 38 17.875 -7.918 -2.263 243 HG13 ILE 38 2HG1 ILE 38 17.218 -7.417 -3.818 244 HG21 ILE 38 1HG2 ILE 38 16.504 -7.217 -0.391 245 HG22 ILE 38 2HG2 ILE 38 15.156 -6.147 -0.772 246 HG23 ILE 38 3HG2 ILE 38 15.371 -7.647 -1.672 247 HD11 ILE 38 3HD1 ILE 38 19.663 -7.230 -3.696 248 HD12 ILE 38 1HD1 ILE 38 18.876 -5.682 -4.003 249 HD13 ILE 38 2HD1 ILE 38 19.490 -6.056 -2.392 250 H SER 39 H SER 39 13.669 -5.303 -1.969 251 HA SER 39 HA SER 39 12.233 -6.983 -3.868 252 HB2 SER 39 1HB SER 39 13.331 -8.390 -1.977 253 HB3 SER 39 2HB SER 39 12.075 -7.698 -0.951 254 HG SER 39 HG SER 39 11.795 -9.372 -3.206 255 H TYR 40 H TYR 40 9.873 -7.127 -3.268 256 HA TYR 40 HA TYR 40 8.954 -4.828 -1.702 257 HB2 TYR 40 1HB TYR 40 8.233 -5.406 -4.575 258 HB3 TYR 40 2HB TYR 40 7.275 -4.350 -3.543 259 HD1 TYR 40 1HD TYR 40 8.448 -2.320 -2.513 260 HD2 TYR 40 2HD TYR 40 10.092 -4.574 -5.726 261 HE1 TYR 40 1HE TYR 40 9.913 -0.429 -3.082 262 HE2 TYR 40 2HE TYR 40 11.562 -2.689 -6.304 263 HH TYR 40 HH TYR 40 12.064 -0.554 -5.898 264 H LEU 41 H LEU 41 7.088 -5.164 -0.599 265 HA LEU 41 HA LEU 41 5.464 -7.512 -1.227 266 HB2 LEU 41 1HB LEU 41 7.154 -8.195 0.444 267 HB3 LEU 41 2HB LEU 41 6.549 -6.945 1.528 268 HG LEU 41 HG LEU 41 4.307 -8.163 1.405 269 HD11 LEU 41 1HD1 LEU 41 4.930 -10.725 1.029 270 HD12 LEU 41 2HD1 LEU 41 6.059 -10.001 -0.115 271 HD13 LEU 41 3HD1 LEU 41 4.330 -9.692 -0.268 272 HD21 LEU 41 3HD2 LEU 41 5.966 -8.182 3.308 273 HD22 LEU 41 1HD2 LEU 41 6.551 -9.719 2.669 274 HD23 LEU 41 2HD2 LEU 41 4.881 -9.571 3.219 275 H TRP 42 H TRP 42 3.321 -7.286 -0.754 276 HA TRP 42 HA TRP 42 2.475 -4.934 0.777 277 HB2 TRP 42 1HB TRP 42 1.704 -5.599 -2.055 278 HB3 TRP 42 2HB TRP 42 0.646 -4.640 -1.024 279 HD1 TRP 42 HD TRP 42 3.636 -4.355 -3.243 280 HE1 TRP 42 1HE TRP 42 4.540 -1.946 -3.194 281 HE3 TRP 42 3HE TRP 42 0.955 -2.562 0.723 282 HZ2 TRP 42 2HZ TRP 42 4.167 0.404 -1.675 283 HZ3 TRP 42 3HZ TRP 42 1.287 -0.223 1.410 284 HH2 TRP 42 HH TRP 42 2.861 1.227 0.235 285 H GLU 43 H GLU 43 1.338 -5.757 2.404 286 HA GLU 43 HA GLU 43 -0.825 -7.630 1.793 287 HB2 GLU 43 1HB GLU 43 1.195 -8.061 4.002 288 HB3 GLU 43 2HB GLU 43 -0.256 -9.021 3.750 289 HG2 GLU 43 1HG GLU 43 0.699 -9.498 1.422 290 HG3 GLU 43 2HG GLU 43 2.220 -8.889 2.074 291 H LYS 44 H LYS 44 -2.524 -7.645 3.343 292 HA LYS 44 HA LYS 44 -2.807 -5.098 4.707 293 HB2 LYS 44 1HB LYS 44 -4.668 -5.898 3.357 294 HB3 LYS 44 2HB LYS 44 -4.748 -7.380 4.300 295 HG2 LYS 44 1HG LYS 44 -5.200 -5.880 6.310 296 HG3 LYS 44 2HG LYS 44 -5.481 -4.595 5.134 297 HD2 LYS 44 1HD LYS 44 -7.038 -7.106 5.608 298 HD3 LYS 44 2HD LYS 44 -7.613 -5.442 5.478 299 HE2 LYS 44 1HE LYS 44 -6.934 -5.504 3.061 300 HE3 LYS 44 2HE LYS 44 -6.632 -7.230 3.259 301 HZ1 LYS 44 3HZ LYS 44 -9.073 -5.927 2.773 302 HZ2 LYS 44 1HZ LYS 44 -9.170 -6.700 4.276 303 HZ3 LYS 44 2HZ LYS 44 -8.770 -7.587 2.893 304 H THR 45 H THR 45 -2.276 -4.838 6.763 305 HA THR 45 HA THR 45 -1.817 -7.138 8.467 306 HB THR 45 HB THR 45 -1.342 -5.111 10.137 307 HG1 THR 45 1HG THR 45 -0.307 -3.484 8.583 308 HG21 THR 45 3HG2 THR 45 0.196 -6.883 8.902 309 HG22 THR 45 1HG2 THR 45 0.882 -5.509 9.768 310 HG23 THR 45 2HG2 THR 45 0.714 -5.450 8.013 311 H GLN 46 H GLN 46 -4.050 -4.420 8.249 312 HA GLN 46 HA GLN 46 -5.777 -5.773 10.199 313 HB2 GLN 46 1HB GLN 46 -4.713 -3.000 10.317 314 HB3 GLN 46 2HB GLN 46 -6.389 -3.238 10.792 315 HG2 GLN 46 1HG GLN 46 -5.768 -4.752 12.518 316 HG3 GLN 46 2HG GLN 46 -4.100 -4.803 11.949 317 HE21 GLN 46 1HE2 GLN 46 -3.181 -4.092 13.825 318 HE22 GLN 46 2HE2 GLN 46 -3.385 -2.490 14.438 319 H GLY 47 H GLY 47 -8.043 -4.777 10.157 320 HA2 GLY 47 1HA GLY 47 -9.743 -3.654 8.894 321 HA3 GLY 47 2HA GLY 47 -8.739 -3.824 7.462 322 HA PRO 48 HA PRO 48 -12.020 -7.236 7.813 323 HB2 PRO 48 1HB PRO 48 -13.645 -6.391 5.809 324 HB3 PRO 48 2HB PRO 48 -13.858 -5.895 7.493 325 HG2 PRO 48 1HG PRO 48 -12.554 -4.424 5.235 326 HG3 PRO 48 2HG PRO 48 -13.661 -3.812 6.478 327 HD2 PRO 48 1HD PRO 48 -10.980 -3.458 6.612 328 HD3 PRO 48 2HD PRO 48 -11.992 -3.643 8.059 329 H ASP 49 H ASP 49 -10.866 -8.862 6.936 330 HA ASP 49 HA ASP 49 -9.416 -8.763 4.542 331 HB2 ASP 49 1HB ASP 49 -9.063 -11.082 4.807 332 HB3 ASP 49 2HB ASP 49 -9.234 -10.462 6.447 333 H GLY 50 H GLY 50 -10.022 -8.815 2.481 334 HA2 GLY 50 1HA GLY 50 -11.925 -10.454 1.325 335 HA3 GLY 50 2HA GLY 50 -12.770 -8.973 1.751 336 H VAL 51 H VAL 51 -10.208 -7.444 1.300 337 HA VAL 51 HA VAL 51 -10.715 -6.716 -1.393 338 HB VAL 51 HB VAL 51 -8.891 -5.167 -1.184 339 HG11 VAL 51 1HG1 VAL 51 -10.871 -5.462 0.950 340 HG12 VAL 51 2HG1 VAL 51 -9.490 -4.452 1.381 341 HG13 VAL 51 3HG1 VAL 51 -10.464 -4.058 -0.036 342 HG21 VAL 51 3HG2 VAL 51 -7.050 -6.087 -0.249 343 HG22 VAL 51 1HG2 VAL 51 -7.703 -5.364 1.221 344 HG23 VAL 51 2HG2 VAL 51 -7.981 -7.071 0.879 345 H GLN 52 H GLN 52 -9.027 -6.651 -3.098 346 HA GLN 52 HA GLN 52 -7.389 -9.100 -3.058 347 HB2 GLN 52 1HB GLN 52 -9.207 -7.982 -5.133 348 HB3 GLN 52 2HB GLN 52 -7.737 -8.776 -5.682 349 HG2 GLN 52 1HG GLN 52 -9.541 -10.130 -3.725 350 HG3 GLN 52 2HG GLN 52 -9.918 -10.141 -5.447 351 HE21 GLN 52 1HE2 GLN 52 -8.831 -11.480 -6.775 352 HE22 GLN 52 2HE2 GLN 52 -7.588 -12.565 -6.264 353 H LEU 53 H LEU 53 -5.305 -8.617 -2.968 354 HA LEU 53 HA LEU 53 -4.351 -6.062 -3.999 355 HB2 LEU 53 1HB LEU 53 -3.343 -8.106 -2.108 356 HB3 LEU 53 2HB LEU 53 -2.138 -7.186 -3.008 357 HG LEU 53 HG LEU 53 -4.271 -5.680 -1.583 358 HD11 LEU 53 1HD1 LEU 53 -1.836 -6.589 -0.097 359 HD12 LEU 53 2HD1 LEU 53 -3.324 -7.534 -0.070 360 HD13 LEU 53 3HD1 LEU 53 -3.323 -5.875 0.528 361 HD21 LEU 53 3HD2 LEU 53 -2.175 -4.257 -1.135 362 HD22 LEU 53 1HD2 LEU 53 -2.814 -4.312 -2.778 363 HD23 LEU 53 2HD2 LEU 53 -1.401 -5.277 -2.349 364 H GLU 54 H GLU 54 -3.431 -5.861 -5.925 365 HA GLU 54 HA GLU 54 -2.567 -8.295 -7.326 366 HB2 GLU 54 1HB GLU 54 -4.319 -6.507 -8.219 367 HB3 GLU 54 2HB GLU 54 -2.854 -5.685 -8.738 368 HG2 GLU 54 1HG GLU 54 -3.217 -8.564 -9.403 369 HG3 GLU 54 2HG GLU 54 -4.092 -7.344 -10.326 370 H ASN 55 H ASN 55 -0.550 -8.450 -8.262 371 HA ASN 55 HA ASN 55 1.708 -8.173 -8.367 372 HB2 ASN 55 1HB ASN 55 0.585 -5.463 -8.910 373 HB3 ASN 55 2HB ASN 55 2.324 -5.602 -8.670 374 HD21 ASN 55 1HD2 ASN 55 -0.115 -5.709 -10.897 375 HD22 ASN 55 2HD2 ASN 55 0.709 -6.533 -12.173 376 H ALA 56 H ALA 56 0.692 -8.393 -5.764 377 HA ALA 56 HA ALA 56 1.576 -6.438 -3.966 378 HB1 ALA 56 3HB ALA 56 1.804 -8.721 -2.515 379 HB2 ALA 56 1HB ALA 56 0.292 -7.858 -2.797 380 HB3 ALA 56 2HB ALA 56 0.721 -9.239 -3.807 381 H ASN 57 H ASN 57 3.285 -8.983 -5.629 382 HA ASN 57 HA ASN 57 5.666 -8.669 -3.998 383 HB2 ASN 57 1HB ASN 57 5.069 -10.906 -4.795 384 HB3 ASN 57 2HB ASN 57 5.164 -10.351 -6.463 385 HD21 ASN 57 1HD2 ASN 57 7.228 -9.994 -3.597 386 HD22 ASN 57 2HD2 ASN 57 8.673 -10.557 -4.360 387 H SER 58 H SER 58 4.620 -6.422 -5.609 388 HA SER 58 HA SER 58 7.073 -5.889 -7.141 389 HB2 SER 58 1HB SER 58 4.224 -5.564 -8.022 390 HB3 SER 58 2HB SER 58 5.462 -4.476 -8.650 391 HG SER 58 HG SER 58 6.091 -6.021 -9.912 392 H SER 59 H SER 59 7.452 -3.550 -7.492 393 HA SER 59 HA SER 59 7.544 -2.122 -5.144 394 HB2 SER 59 1HB SER 59 7.988 -0.126 -6.539 395 HB3 SER 59 2HB SER 59 8.896 -1.533 -7.093 396 HG SER 59 HG SER 59 7.059 -0.057 -8.412 397 H VAL 60 H VAL 60 5.169 -1.751 -7.770 398 HA VAL 60 HA VAL 60 3.470 -0.206 -5.933 399 HB VAL 60 HB VAL 60 3.307 -0.421 -8.943 400 HG11 VAL 60 1HG1 VAL 60 1.161 -0.017 -7.622 401 HG12 VAL 60 2HG1 VAL 60 1.857 1.549 -7.202 402 HG13 VAL 60 3HG1 VAL 60 1.559 1.140 -8.891 403 HG21 VAL 60 3HG2 VAL 60 4.844 1.294 -7.165 404 HG22 VAL 60 1HG2 VAL 60 4.992 1.044 -8.905 405 HG23 VAL 60 2HG2 VAL 60 3.822 2.205 -8.278 406 H ALA 61 H ALA 61 1.538 -0.961 -5.291 407 HA ALA 61 HA ALA 61 0.579 -3.471 -6.506 408 HB1 ALA 61 3HB ALA 61 -0.354 -3.034 -3.797 409 HB2 ALA 61 1HB ALA 61 0.443 -4.439 -4.507 410 HB3 ALA 61 2HB ALA 61 1.406 -3.094 -3.893 411 H THR 62 H THR 62 -1.727 -3.809 -6.481 412 HA THR 62 HA THR 62 -3.308 -1.339 -6.236 413 HB THR 62 HB THR 62 -3.688 -3.349 -8.458 414 HG1 THR 62 1HG THR 62 -2.547 -0.754 -8.695 415 HG21 THR 62 3HG2 THR 62 -5.578 -1.788 -7.576 416 HG22 THR 62 1HG2 THR 62 -5.306 -1.924 -9.312 417 HG23 THR 62 2HG2 THR 62 -4.688 -0.528 -8.429 418 H VAL 63 H VAL 63 -4.867 -1.621 -4.795 419 HA VAL 63 HA VAL 63 -5.843 -4.325 -4.239 420 HB VAL 63 HB VAL 63 -6.483 -1.823 -2.684 421 HG11 VAL 63 1HG1 VAL 63 -6.593 -3.753 -0.882 422 HG12 VAL 63 2HG1 VAL 63 -7.968 -3.385 -1.925 423 HG13 VAL 63 3HG1 VAL 63 -6.908 -4.741 -2.308 424 HG21 VAL 63 3HG2 VAL 63 -4.453 -3.688 -1.635 425 HG22 VAL 63 1HG2 VAL 63 -3.952 -2.684 -2.996 426 HG23 VAL 63 2HG2 VAL 63 -4.550 -1.931 -1.518 427 H THR 64 H THR 64 -7.878 -4.972 -4.653 428 HA THR 64 HA THR 64 -9.790 -2.959 -5.642 429 HB THR 64 HB THR 64 -10.562 -4.406 -7.356 430 HG1 THR 64 1HG THR 64 -8.752 -6.447 -6.617 431 HG21 THR 64 3HG2 THR 64 -8.768 -4.376 -8.793 432 HG22 THR 64 1HG2 THR 64 -7.643 -4.976 -7.576 433 HG23 THR 64 2HG2 THR 64 -8.179 -3.296 -7.531 434 H GLY 65 H GLY 65 -11.956 -3.266 -5.126 435 HA2 GLY 65 1HA GLY 65 -13.799 -4.332 -4.152 436 HA3 GLY 65 2HA GLY 65 -12.735 -5.616 -3.596 437 H LEU 66 H LEU 66 -12.588 -2.101 -3.093 438 HA LEU 66 HA LEU 66 -12.233 -2.565 -0.241 439 HB2 LEU 66 1HB LEU 66 -12.015 -0.098 -1.952 440 HB3 LEU 66 2HB LEU 66 -11.826 -0.085 -0.200 441 HG LEU 66 HG LEU 66 -10.093 -1.864 -1.864 442 HD11 LEU 66 1HD1 LEU 66 -10.216 0.710 -2.569 443 HD12 LEU 66 2HD1 LEU 66 -8.718 -0.220 -2.587 444 HD13 LEU 66 3HD1 LEU 66 -9.082 0.838 -1.224 445 HD21 LEU 66 3HD2 LEU 66 -9.109 -2.222 0.091 446 HD22 LEU 66 1HD2 LEU 66 -10.332 -1.215 0.866 447 HD23 LEU 66 2HD2 LEU 66 -8.825 -0.493 0.301 448 H GLN 67 H GLN 67 -13.518 -1.602 1.364 449 HA GLN 67 HA GLN 67 -16.057 -0.423 0.502 450 HB2 GLN 67 1HB GLN 67 -17.331 -1.854 2.012 451 HB3 GLN 67 2HB GLN 67 -16.476 -2.822 0.819 452 HG2 GLN 67 1HG GLN 67 -14.863 -3.516 2.403 453 HG3 GLN 67 2HG GLN 67 -15.418 -2.332 3.586 454 HE21 GLN 67 1HE2 GLN 67 -16.422 -5.198 1.789 455 HE22 GLN 67 2HE2 GLN 67 -17.499 -5.800 2.998 456 H VAL 68 H VAL 68 -17.192 0.710 2.216 457 HA VAL 68 HA VAL 68 -15.726 2.524 3.607 458 HB VAL 68 HB VAL 68 -18.358 1.376 4.546 459 HG11 VAL 68 1HG1 VAL 68 -16.840 3.867 5.243 460 HG12 VAL 68 2HG1 VAL 68 -18.593 3.776 5.428 461 HG13 VAL 68 3HG1 VAL 68 -17.552 2.664 6.319 462 HG21 VAL 68 3HG2 VAL 68 -19.200 3.492 3.328 463 HG22 VAL 68 1HG2 VAL 68 -17.655 3.428 2.481 464 HG23 VAL 68 2HG2 VAL 68 -18.780 2.074 2.368 465 H GLY 69 H GLY 69 -13.971 1.888 4.766 466 HA2 GLY 69 1HA GLY 69 -14.289 1.053 7.421 467 HA3 GLY 69 2HA GLY 69 -13.855 -0.355 6.465 468 H THR 70 H THR 70 -12.074 0.003 8.239 469 HA THR 70 HA THR 70 -10.000 1.824 7.254 470 HB THR 70 HB THR 70 -9.612 0.180 9.714 471 HG1 THR 70 1HG THR 70 -10.730 2.087 10.775 472 HG21 THR 70 3HG2 THR 70 -8.222 1.912 10.381 473 HG22 THR 70 1HG2 THR 70 -9.051 3.102 9.378 474 HG23 THR 70 2HG2 THR 70 -7.990 1.906 8.633 475 H TYR 71 H TYR 71 -8.382 1.092 6.051 476 HA TYR 71 HA TYR 71 -7.719 -1.777 6.184 477 HB2 TYR 71 1HB TYR 71 -7.876 0.056 3.796 478 HB3 TYR 71 2HB TYR 71 -6.994 -1.467 3.752 479 HD1 TYR 71 2HD TYR 71 -8.258 -3.611 4.175 480 HD2 TYR 71 1HD TYR 71 -10.219 0.110 3.537 481 HE1 TYR 71 2HE TYR 71 -10.340 -4.807 3.643 482 HE2 TYR 71 1HE TYR 71 -12.308 -1.075 3.004 483 HH TYR 71 HH TYR 71 -12.412 -4.482 2.509 484 H VAL 72 H VAL 72 -5.776 -2.095 7.020 485 HA VAL 72 HA VAL 72 -3.722 -0.014 6.673 486 HB VAL 72 HB VAL 72 -3.732 -2.205 8.748 487 HG11 VAL 72 1HG1 VAL 72 -2.226 -0.278 9.798 488 HG12 VAL 72 2HG1 VAL 72 -1.565 -1.516 8.728 489 HG13 VAL 72 3HG1 VAL 72 -1.963 0.081 8.092 490 HG21 VAL 72 3HG2 VAL 72 -5.097 -1.028 10.059 491 HG22 VAL 72 1HG2 VAL 72 -4.216 0.468 9.749 492 HG23 VAL 72 2HG2 VAL 72 -5.485 -0.055 8.640 493 H PHE 73 H PHE 73 -2.444 -0.502 5.006 494 HA PHE 73 HA PHE 73 -1.659 -3.304 4.597 495 HB2 PHE 73 1HB PHE 73 -1.428 -0.971 2.685 496 HB3 PHE 73 2HB PHE 73 -1.064 -2.655 2.320 497 HD1 PHE 73 1HD PHE 73 -2.913 -4.327 2.287 498 HD2 PHE 73 2HD PHE 73 -3.628 -0.140 2.573 499 HE1 PHE 73 1HE PHE 73 -5.245 -4.681 1.588 500 HE2 PHE 73 2HE PHE 73 -5.961 -0.488 1.875 501 HZ PHE 73 HZ PHE 73 -6.773 -2.760 1.382 502 H THR 74 H THR 74 0.312 -3.908 5.172 503 HA THR 74 HA THR 74 2.296 -1.869 5.829 504 HB THR 74 HB THR 74 2.147 -4.824 6.415 505 HG1 THR 74 1HG THR 74 2.180 -3.963 8.590 506 HG21 THR 74 3HG2 THR 74 4.256 -4.435 7.734 507 HG22 THR 74 1HG2 THR 74 4.425 -2.903 6.878 508 HG23 THR 74 2HG2 THR 74 4.459 -4.422 5.982 509 H LEU 75 H LEU 75 4.226 -1.631 4.807 510 HA LEU 75 HA LEU 75 4.637 -3.258 2.388 511 HB2 LEU 75 1HB LEU 75 4.316 -1.041 1.713 512 HB3 LEU 75 2HB LEU 75 5.283 -0.405 3.042 513 HG LEU 75 HG LEU 75 7.287 -1.469 1.900 514 HD11 LEU 75 1HD1 LEU 75 5.373 -2.626 0.303 515 HD12 LEU 75 2HD1 LEU 75 7.099 -2.537 -0.047 516 HD13 LEU 75 3HD1 LEU 75 6.002 -1.323 -0.706 517 HD21 LEU 75 3HD2 LEU 75 7.092 0.878 1.833 518 HD22 LEU 75 1HD2 LEU 75 5.745 0.813 0.696 519 HD23 LEU 75 2HD2 LEU 75 7.369 0.378 0.163 520 H THR 76 H THR 76 6.112 -4.783 2.726 521 HA THR 76 HA THR 76 8.391 -4.205 4.486 522 HB THR 76 HB THR 76 7.545 -6.897 3.404 523 HG1 THR 76 1HG THR 76 6.171 -5.521 5.053 524 HG21 THR 76 3HG2 THR 76 9.120 -7.841 4.793 525 HG22 THR 76 1HG2 THR 76 9.126 -6.468 5.899 526 HG23 THR 76 2HG2 THR 76 9.941 -6.348 4.339 527 H VAL 77 H VAL 77 10.060 -3.380 3.393 528 HA VAL 77 HA VAL 77 10.779 -4.612 0.812 529 HB VAL 77 HB VAL 77 11.906 -2.501 0.237 530 HG11 VAL 77 1HG1 VAL 77 9.539 -1.135 0.523 531 HG12 VAL 77 2HG1 VAL 77 9.936 -2.247 -0.788 532 HG13 VAL 77 3HG1 VAL 77 9.035 -2.822 0.614 533 HG21 VAL 77 3HG2 VAL 77 11.678 -1.976 2.972 534 HG22 VAL 77 1HG2 VAL 77 12.321 -0.904 1.728 535 HG23 VAL 77 2HG2 VAL 77 10.620 -0.808 2.182 536 H LYS 78 H LYS 78 12.948 -5.067 0.399 537 HA LYS 78 HA LYS 78 14.702 -5.029 2.768 538 HB2 LYS 78 1HB LYS 78 14.199 -7.140 0.709 539 HB3 LYS 78 2HB LYS 78 15.786 -7.043 1.461 540 HG2 LYS 78 1HG LYS 78 14.876 -7.428 3.623 541 HG3 LYS 78 2HG LYS 78 13.225 -7.250 3.023 542 HD2 LYS 78 1HD LYS 78 14.944 -9.336 1.785 543 HD3 LYS 78 2HD LYS 78 14.325 -9.630 3.412 544 HE2 LYS 78 1HE LYS 78 12.508 -8.735 1.203 545 HE3 LYS 78 2HE LYS 78 12.940 -10.434 1.387 546 HZ1 LYS 78 3HZ LYS 78 11.564 -10.650 3.104 547 HZ2 LYS 78 1HZ LYS 78 10.909 -9.152 2.669 548 HZ3 LYS 78 2HZ LYS 78 12.115 -9.236 3.852 549 H ASP 79 H ASP 79 17.048 -5.074 2.240 550 HA ASP 79 HA ASP 79 17.646 -3.689 -0.287 551 HB2 ASP 79 1HB ASP 79 18.348 -2.882 2.510 552 HB3 ASP 79 2HB ASP 79 19.449 -2.482 1.195 553 H GLU 80 H GLU 80 20.174 -3.571 -0.520 554 HA GLU 80 HA GLU 80 21.128 -6.106 -1.000 555 HB2 GLU 80 1HB GLU 80 22.819 -3.692 -0.328 556 HB3 GLU 80 2HB GLU 80 23.338 -5.111 -1.227 557 HG2 GLU 80 1HG GLU 80 21.833 -4.571 -3.032 558 HG3 GLU 80 2HG GLU 80 21.182 -3.211 -2.119 559 H ARG 81 H ARG 81 21.185 -4.282 1.967 560 HA ARG 81 HA ARG 81 22.966 -6.193 3.257 561 HB2 ARG 81 1HB ARG 81 21.595 -3.742 4.378 562 HB3 ARG 81 2HB ARG 81 22.812 -4.707 5.203 563 HG2 ARG 81 1HG ARG 81 24.235 -4.126 3.064 564 HG3 ARG 81 2HG ARG 81 23.115 -2.764 2.979 565 HD2 ARG 81 1HD ARG 81 24.976 -2.017 4.233 566 HD3 ARG 81 2HD ARG 81 23.680 -2.305 5.393 567 HE ARG 81 HE ARG 81 25.163 -4.641 5.250 568 HH11 ARG 81 2HH1 ARG 81 25.658 -1.323 6.180 569 HH12 ARG 81 1HH1 ARG 81 26.882 -1.697 7.348 570 HH21 ARG 81 2HH2 ARG 81 26.774 -5.146 6.784 571 HH22 ARG 81 1HH2 ARG 81 27.517 -3.872 7.690 572 H ASN 82 H ASN 82 20.176 -6.824 2.309 573 HA ASN 82 HA ASN 82 18.320 -7.950 3.006 574 HB2 ASN 82 1HB ASN 82 20.533 -8.914 4.754 575 HB3 ASN 82 2HB ASN 82 18.891 -9.395 5.173 576 HD21 ASN 82 1HD2 ASN 82 21.030 -11.087 4.319 577 HD22 ASN 82 2HD2 ASN 82 20.524 -11.845 2.851 578 H LEU 83 H LEU 83 18.812 -5.233 4.105 579 HA LEU 83 HA LEU 83 17.922 -5.156 6.799 580 HB2 LEU 83 1HB LEU 83 18.316 -3.191 4.613 581 HB3 LEU 83 2HB LEU 83 17.262 -2.721 5.945 582 HG LEU 83 HG LEU 83 20.130 -3.605 6.256 583 HD11 LEU 83 1HD1 LEU 83 19.138 -0.807 6.622 584 HD12 LEU 83 2HD1 LEU 83 19.629 -1.386 5.031 585 HD13 LEU 83 3HD1 LEU 83 20.784 -1.386 6.364 586 HD21 LEU 83 3HD2 LEU 83 19.235 -4.015 8.317 587 HD22 LEU 83 1HD2 LEU 83 17.968 -2.802 8.133 588 HD23 LEU 83 2HD2 LEU 83 19.621 -2.302 8.494 589 H GLN 84 H GLN 84 16.000 -5.925 7.389 590 HA GLN 84 HA GLN 84 13.722 -5.769 5.597 591 HB2 GLN 84 1HB GLN 84 14.202 -7.820 6.928 592 HB3 GLN 84 2HB GLN 84 13.878 -6.904 8.394 593 HG2 GLN 84 1HG GLN 84 11.601 -6.407 7.151 594 HG3 GLN 84 2HG GLN 84 12.005 -7.915 6.331 595 HE21 GLN 84 1HE2 GLN 84 10.537 -9.253 7.211 596 HE22 GLN 84 2HE2 GLN 84 10.428 -9.615 8.897 597 H SER 85 H SER 85 12.553 -3.975 5.530 598 HA SER 85 HA SER 85 12.288 -2.359 7.972 599 HB2 SER 85 1HB SER 85 13.158 -0.966 6.297 600 HB3 SER 85 2HB SER 85 12.143 -1.682 5.044 601 HG SER 85 HG SER 85 10.368 -0.639 5.926 602 H GLN 86 H GLN 86 10.111 -1.019 7.846 603 HA GLN 86 HA GLN 86 7.859 -2.514 6.844 604 HB2 GLN 86 1HB GLN 86 8.675 -3.458 9.174 605 HB3 GLN 86 2HB GLN 86 7.799 -2.065 9.795 606 HG2 GLN 86 1HG GLN 86 5.813 -2.877 8.469 607 HG3 GLN 86 2HG GLN 86 6.718 -4.365 8.196 608 HE21 GLN 86 1HE2 GLN 86 7.039 -5.786 9.880 609 HE22 GLN 86 2HE2 GLN 86 6.194 -5.663 11.382 610 H SER 87 H SER 87 6.070 -1.257 6.586 611 HA SER 87 HA SER 87 5.694 1.200 8.014 612 HB2 SER 87 1HB SER 87 6.659 1.242 5.160 613 HB3 SER 87 2HB SER 87 5.704 2.565 5.830 614 HG SER 87 HG SER 87 8.326 1.855 6.306 615 H SER 88 H SER 88 3.582 1.212 8.345 616 HA SER 88 HA SER 88 1.809 0.009 6.343 617 HB2 SER 88 1HB SER 88 1.156 0.821 9.184 618 HB3 SER 88 2HB SER 88 0.157 -0.153 8.106 619 HG SER 88 HG SER 88 2.748 -1.045 8.597 620 H VAL 89 H VAL 89 -0.064 1.080 5.619 621 HA VAL 89 HA VAL 89 -0.033 4.004 6.001 622 HB VAL 89 HB VAL 89 0.733 3.479 3.757 623 HG11 VAL 89 1HG1 VAL 89 -0.082 1.823 2.510 624 HG12 VAL 89 2HG1 VAL 89 -1.027 1.341 3.920 625 HG13 VAL 89 3HG1 VAL 89 -1.737 2.399 2.700 626 HG21 VAL 89 3HG2 VAL 89 -0.895 4.768 2.478 627 HG22 VAL 89 1HG2 VAL 89 -2.102 4.511 3.738 628 HG23 VAL 89 2HG2 VAL 89 -0.661 5.468 4.080 629 H ASN 90 H ASN 90 -1.962 5.024 6.329 630 HA ASN 90 HA ASN 90 -4.204 3.330 7.043 631 HB2 ASN 90 1HB ASN 90 -3.499 6.210 7.461 632 HB3 ASN 90 2HB ASN 90 -5.177 5.702 7.628 633 HD21 ASN 90 1HD2 ASN 90 -3.285 6.716 9.618 634 HD22 ASN 90 2HD2 ASN 90 -3.212 5.511 10.855 635 H VAL 91 H VAL 91 -5.612 2.741 5.537 636 HA VAL 91 HA VAL 91 -6.182 4.593 3.321 637 HB VAL 91 HB VAL 91 -6.654 1.612 3.474 638 HG11 VAL 91 1HG1 VAL 91 -7.835 1.727 1.581 639 HG12 VAL 91 2HG1 VAL 91 -7.992 3.451 1.925 640 HG13 VAL 91 3HG1 VAL 91 -6.715 2.877 0.852 641 HG21 VAL 91 3HG2 VAL 91 -4.527 3.268 2.142 642 HG22 VAL 91 1HG2 VAL 91 -4.327 1.943 3.288 643 HG23 VAL 91 2HG2 VAL 91 -4.889 1.614 1.649 644 H ILE 92 H ILE 92 -7.872 5.824 3.915 645 HA ILE 92 HA ILE 92 -10.163 4.559 5.236 646 HB ILE 92 HB ILE 92 -9.624 7.495 4.776 647 HG12 ILE 92 1HG1 ILE 92 -9.534 6.209 7.468 648 HG13 ILE 92 2HG1 ILE 92 -8.146 6.010 6.404 649 HG21 ILE 92 1HG2 ILE 92 -11.947 7.233 4.993 650 HG22 ILE 92 2HG2 ILE 92 -11.776 6.009 6.250 651 HG23 ILE 92 3HG2 ILE 92 -11.389 7.694 6.601 652 HD11 ILE 92 3HD1 ILE 92 -7.626 7.867 7.700 653 HD12 ILE 92 1HD1 ILE 92 -8.196 8.554 6.179 654 HD13 ILE 92 2HD1 ILE 92 -9.259 8.522 7.586 655 H VAL 93 H VAL 93 -12.079 4.286 4.256 656 HA VAL 93 HA VAL 93 -12.367 5.339 1.518 657 HB VAL 93 HB VAL 93 -13.535 2.827 2.721 658 HG11 VAL 93 1HG1 VAL 93 -14.238 4.378 0.326 659 HG12 VAL 93 2HG1 VAL 93 -14.022 2.647 0.064 660 HG13 VAL 93 3HG1 VAL 93 -15.193 3.221 1.251 661 HG21 VAL 93 3HG2 VAL 93 -12.103 1.625 1.250 662 HG22 VAL 93 1HG2 VAL 93 -11.611 3.103 0.422 663 HG23 VAL 93 2HG2 VAL 93 -11.102 2.812 2.085 664 H LYS 94 H LYS 94 -14.087 6.569 1.038 665 HA LYS 94 HA LYS 94 -16.181 6.854 3.093 666 HB2 LYS 94 1HB LYS 94 -14.748 8.876 1.424 667 HB3 LYS 94 2HB LYS 94 -16.418 9.189 1.879 668 HG2 LYS 94 1HG LYS 94 -15.344 10.202 3.609 669 HG3 LYS 94 2HG LYS 94 -15.522 8.579 4.280 670 HD2 LYS 94 1HD LYS 94 -13.266 8.023 3.706 671 HD3 LYS 94 2HD LYS 94 -13.075 9.519 2.790 672 HE2 LYS 94 1HE LYS 94 -13.772 9.600 5.700 673 HE3 LYS 94 2HE LYS 94 -12.102 9.352 5.192 674 HZ1 LYS 94 3HZ LYS 94 -13.527 11.756 5.349 675 HZ2 LYS 94 1HZ LYS 94 -13.155 11.484 3.721 676 HZ3 LYS 94 2HZ LYS 94 -11.920 11.520 4.876 677 H GLU 95 H GLU 95 -18.267 7.754 2.164 678 HA GLU 95 HA GLU 95 -18.943 6.176 -0.200 679 HB2 GLU 95 1HB GLU 95 -20.503 7.370 2.054 680 HB3 GLU 95 2HB GLU 95 -21.325 7.032 0.537 681 HG2 GLU 95 1HG GLU 95 -20.659 4.694 0.685 682 HG3 GLU 95 2HG GLU 95 -19.811 5.026 2.194 683 H GLU 96 H GLU 96 -20.045 7.043 -1.988 684 HA GLU 96 HA GLU 96 -19.121 9.282 -3.163 685 HB2 GLU 96 1HB GLU 96 -20.645 7.596 -4.207 686 HB3 GLU 96 2HB GLU 96 -21.996 8.384 -3.405 687 HG2 GLU 96 1HG GLU 96 -21.851 10.276 -4.727 688 HG3 GLU 96 2HG GLU 96 -20.178 9.954 -5.178 689 H SER 97 H SER 97 -19.744 11.447 -3.394 690 HA SER 97 HA SER 97 -21.134 12.524 -1.049 691 HB2 SER 97 1HB SER 97 -19.974 14.564 -1.419 692 HB3 SER 97 2HB SER 97 -18.787 13.290 -1.700 693 HG SER 97 HG SER 97 -18.922 15.035 -3.317 694 H GLY 98 H GLY 98 -22.397 14.592 -1.472 695 HA2 GLY 98 1HA GLY 98 -23.923 15.834 -2.741 696 HA3 GLY 98 2HA GLY 98 -23.671 14.729 -4.084 697 HA PRO 99 HA PRO 99 -27.698 13.873 -1.700 698 HB2 PRO 99 1HB PRO 99 -29.444 14.884 -3.515 699 HB3 PRO 99 2HB PRO 99 -28.770 15.844 -2.193 700 HG2 PRO 99 1HG PRO 99 -27.938 15.729 -5.067 701 HG3 PRO 99 2HG PRO 99 -28.118 17.142 -4.010 702 HD2 PRO 99 1HD PRO 99 -25.710 16.032 -4.561 703 HD3 PRO 99 2HD PRO 99 -26.070 16.809 -3.005 704 H SER 100 H SER 100 -28.649 11.950 -2.037 705 HA SER 100 HA SER 100 -28.531 10.805 -4.751 706 HB2 SER 100 1HB SER 100 -28.172 9.373 -2.108 707 HB3 SER 100 2HB SER 100 -28.249 8.583 -3.682 708 HG SER 100 HG SER 100 -26.193 9.996 -2.509 709 H SER 101 H SER 101 -30.164 10.395 -1.606 710 HA SER 101 HA SER 101 -32.519 9.328 -2.922 711 HB2 SER 101 1HB SER 101 -33.382 8.996 -0.651 712 HB3 SER 101 2HB SER 101 -31.747 8.350 -0.792 713 HG SER 101 HG SER 101 -30.968 10.114 0.307 714 H GLY 102 H GLY 102 -33.789 10.768 -3.913 715 HA2 GLY 102 1HA GLY 102 -35.586 12.334 -3.673 716 HA3 GLY 102 2HA GLY 102 -34.717 13.069 -2.333 Start of MODEL 13 1 H1 GLY 1 H GLY 1 25.235 0.330 16.233 2 HA2 GLY 1 1HA GLY 1 23.956 -1.170 14.732 3 HA3 GLY 1 2HA GLY 1 22.551 -0.800 15.721 4 H SER 2 H SER 2 21.490 1.163 15.468 5 HA SER 2 HA SER 2 22.297 2.695 13.083 6 HB2 SER 2 1HB SER 2 19.841 3.269 12.903 7 HB3 SER 2 2HB SER 2 20.234 1.575 12.613 8 HG SER 2 HG SER 2 19.568 2.391 15.210 9 H SER 3 H SER 3 21.983 4.960 13.100 10 HA SER 3 HA SER 3 22.163 6.110 15.781 11 HB2 SER 3 1HB SER 3 22.852 7.189 13.044 12 HB3 SER 3 2HB SER 3 22.895 8.177 14.504 13 HG SER 3 HG SER 3 24.746 6.495 13.586 14 H GLY 4 H GLY 4 20.150 6.440 16.567 15 HA2 GLY 4 1HA GLY 4 18.375 8.008 16.809 16 HA3 GLY 4 2HA GLY 4 18.465 8.331 15.084 17 H SER 5 H SER 5 17.493 6.877 13.620 18 HA SER 5 HA SER 5 15.897 4.702 14.715 19 HB2 SER 5 1HB SER 5 13.801 5.501 13.894 20 HB3 SER 5 2HB SER 5 14.512 6.825 14.816 21 HG SER 5 HG SER 5 14.229 7.932 13.057 22 H SER 6 H SER 6 14.867 3.401 12.989 23 HA SER 6 HA SER 6 16.495 3.477 10.534 24 HB2 SER 6 1HB SER 6 16.698 1.487 12.174 25 HB3 SER 6 2HB SER 6 15.114 1.008 11.566 26 HG SER 6 HG SER 6 16.253 1.325 9.405 27 H GLY 7 H GLY 7 14.980 4.901 9.524 28 HA2 GLY 7 1HA GLY 7 12.318 3.777 9.002 29 HA3 GLY 7 2HA GLY 7 12.807 5.439 8.711 30 H GLN 8 H GLN 8 13.799 2.174 7.668 31 HA GLN 8 HA GLN 8 14.289 3.240 4.988 32 HB2 GLN 8 1HB GLN 8 15.148 0.767 6.443 33 HB3 GLN 8 2HB GLN 8 15.176 0.798 4.685 34 HG2 GLN 8 1HG GLN 8 17.347 1.354 5.657 35 HG3 GLN 8 2HG GLN 8 16.685 2.682 4.706 36 HE21 GLN 8 1HE2 GLN 8 17.634 1.596 7.832 37 HE22 GLN 8 2HE2 GLN 8 17.433 3.102 8.655 38 H ALA 9 H ALA 9 11.659 3.245 5.456 39 HA ALA 9 HA ALA 9 10.633 1.552 3.431 40 HB1 ALA 9 3HB ALA 9 10.436 -0.282 4.752 41 HB2 ALA 9 1HB ALA 9 10.345 0.661 6.240 42 HB3 ALA 9 2HB ALA 9 8.928 0.516 5.199 43 H ASP 10 H ASP 10 9.201 2.829 2.481 44 HA ASP 10 HA ASP 10 7.436 4.474 4.170 45 HB2 ASP 10 1HB ASP 10 9.303 5.705 2.875 46 HB3 ASP 10 2HB ASP 10 8.344 5.354 1.440 47 H ALA 11 H ALA 11 5.434 3.730 3.996 48 HA ALA 11 HA ALA 11 4.578 2.456 1.501 49 HB1 ALA 11 3HB ALA 11 2.583 2.347 3.547 50 HB2 ALA 11 1HB ALA 11 3.490 1.029 2.803 51 HB3 ALA 11 2HB ALA 11 4.141 1.862 4.216 52 H GLY 12 H GLY 12 4.862 5.307 1.579 53 HA2 GLY 12 1HA GLY 12 3.719 7.170 0.877 54 HA3 GLY 12 2HA GLY 12 2.424 6.079 0.407 55 HA PRO 13 HA PRO 13 1.389 8.746 4.235 56 HB2 PRO 13 1HB PRO 13 -0.104 10.667 3.031 57 HB3 PRO 13 2HB PRO 13 1.636 10.827 3.295 58 HG2 PRO 13 1HG PRO 13 0.162 10.026 0.816 59 HG3 PRO 13 2HG PRO 13 1.547 11.120 0.990 60 HD2 PRO 13 1HD PRO 13 1.811 8.556 0.163 61 HD3 PRO 13 2HD PRO 13 3.061 9.387 1.111 62 H ASP 14 H ASP 14 -1.036 9.585 4.644 63 HA ASP 14 HA ASP 14 -2.663 7.324 4.684 64 HB2 ASP 14 1HB ASP 14 -4.283 8.657 5.691 65 HB3 ASP 14 2HB ASP 14 -2.800 9.538 6.049 66 H LYS 15 H LYS 15 -4.625 6.838 3.584 67 HA LYS 15 HA LYS 15 -4.844 8.058 0.911 68 HB2 LYS 15 1HB LYS 15 -5.038 5.146 1.683 69 HB3 LYS 15 2HB LYS 15 -5.606 5.767 0.138 70 HG2 LYS 15 1HG LYS 15 -2.810 6.343 0.985 71 HG3 LYS 15 2HG LYS 15 -3.216 4.738 0.373 72 HD2 LYS 15 1HD LYS 15 -3.718 5.523 -1.735 73 HD3 LYS 15 2HD LYS 15 -4.092 7.148 -1.155 74 HE2 LYS 15 1HE LYS 15 -1.689 7.490 -0.688 75 HE3 LYS 15 2HE LYS 15 -1.354 5.899 -1.368 76 HZ1 LYS 15 3HZ LYS 15 -2.561 6.824 -3.423 77 HZ2 LYS 15 1HZ LYS 15 -0.969 7.316 -3.130 78 HZ3 LYS 15 2HZ LYS 15 -2.256 8.343 -2.744 79 H GLU 16 H GLU 16 -6.766 8.923 0.509 80 HA GLU 16 HA GLU 16 -9.114 7.866 1.938 81 HB2 GLU 16 1HB GLU 16 -8.109 10.198 2.644 82 HB3 GLU 16 2HB GLU 16 -8.960 10.762 1.213 83 HG2 GLU 16 1HG GLU 16 -11.057 9.927 2.101 84 HG3 GLU 16 2HG GLU 16 -10.221 9.293 3.517 85 H LEU 17 H LEU 17 -10.108 6.765 0.341 86 HA LEU 17 HA LEU 17 -10.422 8.036 -2.280 87 HB2 LEU 17 1HB LEU 17 -11.215 5.238 -1.516 88 HB3 LEU 17 2HB LEU 17 -10.980 5.896 -3.135 89 HG LEU 17 HG LEU 17 -8.661 5.789 -1.258 90 HD11 LEU 17 1HD1 LEU 17 -9.285 3.442 -2.995 91 HD12 LEU 17 2HD1 LEU 17 -9.974 3.546 -1.375 92 HD13 LEU 17 3HD1 LEU 17 -8.223 3.551 -1.590 93 HD21 LEU 17 3HD2 LEU 17 -8.812 6.822 -3.661 94 HD22 LEU 17 1HD2 LEU 17 -8.628 5.143 -4.168 95 HD23 LEU 17 2HD2 LEU 17 -7.390 5.902 -3.166 96 H THR 18 H THR 18 -12.538 7.879 -3.347 97 HA THR 18 HA THR 18 -14.802 7.841 -1.474 98 HB THR 18 HB THR 18 -14.683 9.903 -3.654 99 HG1 THR 18 1HG THR 18 -13.961 10.525 -0.997 100 HG21 THR 18 3HG2 THR 18 -16.184 9.633 -1.052 101 HG22 THR 18 1HG2 THR 18 -16.847 9.574 -2.685 102 HG23 THR 18 2HG2 THR 18 -16.203 11.088 -2.048 103 H LEU 19 H LEU 19 -16.147 6.313 -2.150 104 HA LEU 19 HA LEU 19 -16.162 4.891 -4.443 105 HB2 LEU 19 1HB LEU 19 -18.333 5.682 -2.570 106 HB3 LEU 19 2HB LEU 19 -18.777 4.858 -4.063 107 HG LEU 19 HG LEU 19 -18.534 3.398 -2.026 108 HD11 LEU 19 1HD1 LEU 19 -17.391 1.616 -3.238 109 HD12 LEU 19 2HD1 LEU 19 -16.762 2.795 -4.389 110 HD13 LEU 19 3HD1 LEU 19 -18.498 2.498 -4.291 111 HD21 LEU 19 3HD2 LEU 19 -16.217 2.750 -1.434 112 HD22 LEU 19 1HD2 LEU 19 -16.606 4.417 -1.007 113 HD23 LEU 19 2HD2 LEU 19 -15.625 4.078 -2.433 114 HA PRO 20 HA PRO 20 -18.066 3.897 -5.652 115 HB2 PRO 20 1HB PRO 20 -17.746 3.284 -8.277 116 HB3 PRO 20 2HB PRO 20 -19.276 3.858 -7.605 117 HG2 PRO 20 1HG PRO 20 -17.172 5.381 -9.093 118 HG3 PRO 20 2HG PRO 20 -18.936 5.457 -9.259 119 HD2 PRO 20 1HD PRO 20 -17.523 7.301 -7.869 120 HD3 PRO 20 2HD PRO 20 -19.176 6.830 -7.423 121 H VAL 21 H VAL 21 -15.443 5.815 -6.416 122 HA VAL 21 HA VAL 21 -13.526 4.100 -7.448 123 HB VAL 21 HB VAL 21 -13.113 6.288 -5.405 124 HG11 VAL 21 1HG1 VAL 21 -11.290 4.400 -6.520 125 HG12 VAL 21 2HG1 VAL 21 -10.897 6.007 -7.134 126 HG13 VAL 21 3HG1 VAL 21 -10.969 5.719 -5.395 127 HG21 VAL 21 3HG2 VAL 21 -14.261 6.829 -7.635 128 HG22 VAL 21 1HG2 VAL 21 -12.858 7.794 -7.175 129 HG23 VAL 21 2HG2 VAL 21 -12.690 6.506 -8.369 130 H ASP 22 H ASP 22 -13.547 2.036 -6.648 131 HA ASP 22 HA ASP 22 -12.862 1.727 -3.798 132 HB2 ASP 22 1HB ASP 22 -13.895 -0.490 -3.888 133 HB3 ASP 22 2HB ASP 22 -15.049 0.754 -4.362 134 H SER 23 H SER 23 -10.878 2.286 -5.667 135 HA SER 23 HA SER 23 -9.200 -0.038 -5.342 136 HB2 SER 23 1HB SER 23 -8.672 -0.394 -7.650 137 HB3 SER 23 2HB SER 23 -10.431 -0.410 -7.523 138 HG SER 23 HG SER 23 -10.545 1.467 -8.557 139 H THR 24 H THR 24 -7.157 0.562 -4.967 140 HA THR 24 HA THR 24 -6.215 3.156 -5.952 141 HB THR 24 HB THR 24 -7.099 3.332 -3.557 142 HG1 THR 24 1HG THR 24 -5.458 4.725 -4.649 143 HG21 THR 24 3HG2 THR 24 -4.556 1.798 -3.011 144 HG22 THR 24 1HG2 THR 24 -6.195 1.217 -2.723 145 HG23 THR 24 2HG2 THR 24 -5.567 2.580 -1.797 146 H THR 25 H THR 25 -3.834 3.412 -5.643 147 HA THR 25 HA THR 25 -2.472 0.801 -5.790 148 HB THR 25 HB THR 25 -0.833 1.919 -7.334 149 HG1 THR 25 1HG THR 25 -1.415 3.881 -8.244 150 HG21 THR 25 3HG2 THR 25 -1.990 1.159 -9.115 151 HG22 THR 25 1HG2 THR 25 -3.387 2.178 -8.770 152 HG23 THR 25 2HG2 THR 25 -3.170 0.657 -7.904 153 H LEU 26 H LEU 26 -1.032 0.499 -4.232 154 HA LEU 26 HA LEU 26 -0.036 2.798 -2.732 155 HB2 LEU 26 1HB LEU 26 0.209 -0.156 -2.183 156 HB3 LEU 26 2HB LEU 26 0.748 1.135 -1.111 157 HG LEU 26 HG LEU 26 -2.127 0.996 -1.910 158 HD11 LEU 26 1HD1 LEU 26 -1.464 -0.377 0.585 159 HD12 LEU 26 2HD1 LEU 26 -0.932 -1.224 -0.867 160 HD13 LEU 26 3HD1 LEU 26 -2.631 -0.796 -0.670 161 HD21 LEU 26 3HD2 LEU 26 -2.383 1.919 0.382 162 HD22 LEU 26 1HD2 LEU 26 -1.416 2.936 -0.686 163 HD23 LEU 26 2HD2 LEU 26 -0.625 1.934 0.531 164 H ASP 27 H ASP 27 1.487 3.608 -4.200 165 HA ASP 27 HA ASP 27 3.627 1.907 -5.142 166 HB2 ASP 27 1HB ASP 27 4.365 3.763 -6.405 167 HB3 ASP 27 2HB ASP 27 2.606 3.860 -6.435 168 H GLY 28 H GLY 28 5.437 1.498 -4.064 169 HA2 GLY 28 1HA GLY 28 6.119 3.242 -1.787 170 HA3 GLY 28 2HA GLY 28 6.562 1.547 -1.926 171 H SER 29 H SER 29 6.884 3.414 -4.777 172 HA SER 29 HA SER 29 9.468 2.860 -5.341 173 HB2 SER 29 1HB SER 29 9.532 4.940 -6.693 174 HB3 SER 29 2HB SER 29 8.027 4.047 -6.909 175 HG SER 29 HG SER 29 6.973 5.677 -6.111 176 H LYS 30 H LYS 30 8.391 5.722 -3.519 177 HA LYS 30 HA LYS 30 11.114 6.429 -2.849 178 HB2 LYS 30 1HB LYS 30 8.481 7.608 -1.942 179 HB3 LYS 30 2HB LYS 30 10.066 8.283 -1.588 180 HG2 LYS 30 1HG LYS 30 9.289 7.815 -4.426 181 HG3 LYS 30 2HG LYS 30 8.632 9.208 -3.563 182 HD2 LYS 30 1HD LYS 30 11.577 8.596 -3.661 183 HD3 LYS 30 2HD LYS 30 10.770 9.595 -4.872 184 HE2 LYS 30 1HE LYS 30 10.426 10.215 -1.970 185 HE3 LYS 30 2HE LYS 30 11.909 10.697 -2.793 186 HZ1 LYS 30 3HZ LYS 30 9.636 12.143 -2.730 187 HZ2 LYS 30 1HZ LYS 30 9.501 11.366 -4.227 188 HZ3 LYS 30 2HZ LYS 30 10.858 12.317 -3.887 189 H SER 31 H SER 31 10.676 3.909 -1.942 190 HA SER 31 HA SER 31 9.773 3.848 0.770 191 HB2 SER 31 1HB SER 31 9.652 1.835 -0.586 192 HB3 SER 31 2HB SER 31 11.398 1.858 -0.833 193 HG SER 31 HG SER 31 11.549 1.662 1.514 194 H SER 32 H SER 32 12.951 3.897 -0.798 195 HA SER 32 HA SER 32 14.102 4.928 1.683 196 HB2 SER 32 1HB SER 32 15.852 3.348 1.797 197 HB3 SER 32 2HB SER 32 14.411 2.380 1.488 198 HG SER 32 HG SER 32 15.041 2.571 -0.802 199 H ASP 33 H ASP 33 15.962 6.187 1.400 200 HA ASP 33 HA ASP 33 16.094 7.753 -0.879 201 HB2 ASP 33 1HB ASP 33 18.227 8.588 -0.013 202 HB3 ASP 33 2HB ASP 33 17.049 8.420 1.286 203 H ASP 34 H ASP 34 18.072 4.945 0.001 204 HA ASP 34 HA ASP 34 19.985 4.876 -1.896 205 HB2 ASP 34 1HB ASP 34 18.276 2.661 -0.798 206 HB3 ASP 34 2HB ASP 34 19.533 2.323 -1.985 207 H GLN 35 H GLN 35 20.179 3.811 -3.985 208 HA GLN 35 HA GLN 35 18.620 4.813 -5.962 209 HB2 GLN 35 1HB GLN 35 20.072 2.167 -5.912 210 HB3 GLN 35 2HB GLN 35 19.380 2.865 -7.370 211 HG2 GLN 35 1HG GLN 35 20.848 4.757 -7.228 212 HG3 GLN 35 2HG GLN 35 21.460 4.214 -5.667 213 HE21 GLN 35 1HE2 GLN 35 22.915 2.524 -5.579 214 HE22 GLN 35 2HE2 GLN 35 23.730 1.923 -6.978 215 H LYS 36 H LYS 36 18.216 1.561 -4.560 216 HA LYS 36 HA LYS 36 15.399 1.678 -4.576 217 HB2 LYS 36 1HB LYS 36 14.882 0.111 -6.362 218 HB3 LYS 36 2HB LYS 36 15.717 1.514 -7.016 219 HG2 LYS 36 1HG LYS 36 17.593 0.327 -7.547 220 HG3 LYS 36 2HG LYS 36 17.336 -0.864 -6.270 221 HD2 LYS 36 1HD LYS 36 16.915 -2.003 -8.291 222 HD3 LYS 36 2HD LYS 36 15.325 -1.648 -7.610 223 HE2 LYS 36 1HE LYS 36 16.545 0.305 -9.500 224 HE3 LYS 36 2HE LYS 36 15.867 -1.187 -10.149 225 HZ1 LYS 36 3HZ LYS 36 13.755 -0.659 -9.208 226 HZ2 LYS 36 1HZ LYS 36 14.282 0.693 -10.077 227 HZ3 LYS 36 2HZ LYS 36 14.379 0.683 -8.389 228 H ILE 37 H ILE 37 14.429 -0.539 -4.155 229 HA ILE 37 HA ILE 37 16.297 -2.051 -2.463 230 HB ILE 37 HB ILE 37 13.281 -2.104 -2.372 231 HG12 ILE 37 1HG1 ILE 37 15.067 -0.704 -0.394 232 HG13 ILE 37 2HG1 ILE 37 14.453 0.127 -1.819 233 HG21 ILE 37 1HG2 ILE 37 14.619 -2.800 0.067 234 HG22 ILE 37 2HG2 ILE 37 13.492 -3.752 -0.900 235 HG23 ILE 37 3HG2 ILE 37 15.219 -3.798 -1.258 236 HD11 ILE 37 3HD1 ILE 37 12.989 0.664 -0.067 237 HD12 ILE 37 1HD1 ILE 37 12.144 -0.538 -1.041 238 HD13 ILE 37 2HD1 ILE 37 12.901 -1.010 0.480 239 H ILE 38 H ILE 38 16.531 -4.242 -2.658 240 HA ILE 38 HA ILE 38 15.621 -5.396 -5.170 241 HB ILE 38 HB ILE 38 17.117 -7.289 -4.578 242 HG12 ILE 38 1HG1 ILE 38 17.899 -5.553 -2.227 243 HG13 ILE 38 2HG1 ILE 38 16.928 -7.017 -2.110 244 HG21 ILE 38 1HG2 ILE 38 19.034 -5.170 -4.243 245 HG22 ILE 38 2HG2 ILE 38 18.717 -6.182 -5.650 246 HG23 ILE 38 3HG2 ILE 38 17.786 -4.705 -5.400 247 HD11 ILE 38 3HD1 ILE 38 19.635 -6.881 -1.838 248 HD12 ILE 38 1HD1 ILE 38 18.716 -8.339 -2.212 249 HD13 ILE 38 2HD1 ILE 38 19.453 -7.402 -3.513 250 H SER 39 H SER 39 13.795 -4.947 -2.856 251 HA SER 39 HA SER 39 12.490 -7.512 -2.957 252 HB2 SER 39 1HB SER 39 13.885 -8.054 -1.111 253 HB3 SER 39 2HB SER 39 13.654 -6.468 -0.375 254 HG SER 39 HG SER 39 12.234 -7.625 0.726 255 H TYR 40 H TYR 40 10.315 -7.339 -2.690 256 HA TYR 40 HA TYR 40 9.170 -4.975 -1.453 257 HB2 TYR 40 1HB TYR 40 8.760 -5.633 -4.375 258 HB3 TYR 40 2HB TYR 40 7.752 -4.509 -3.470 259 HD1 TYR 40 1HD TYR 40 9.069 -2.582 -2.243 260 HD2 TYR 40 2HD TYR 40 10.573 -4.803 -5.546 261 HE1 TYR 40 1HE TYR 40 10.645 -0.761 -2.742 262 HE2 TYR 40 2HE TYR 40 12.153 -2.988 -6.054 263 HH TYR 40 HH TYR 40 12.167 -0.370 -5.568 264 H LEU 41 H LEU 41 7.491 -5.590 -0.274 265 HA LEU 41 HA LEU 41 5.805 -7.798 -1.211 266 HB2 LEU 41 1HB LEU 41 7.539 -8.563 0.467 267 HB3 LEU 41 2HB LEU 41 6.703 -7.558 1.649 268 HG LEU 41 HG LEU 41 4.673 -8.918 1.335 269 HD11 LEU 41 1HD1 LEU 41 5.218 -11.208 0.186 270 HD12 LEU 41 2HD1 LEU 41 6.402 -10.244 -0.696 271 HD13 LEU 41 3HD1 LEU 41 4.691 -9.823 -0.770 272 HD21 LEU 41 3HD2 LEU 41 5.338 -10.526 2.808 273 HD22 LEU 41 1HD2 LEU 41 6.733 -9.451 2.911 274 HD23 LEU 41 2HD2 LEU 41 6.809 -10.901 1.909 275 H TRP 42 H TRP 42 3.656 -7.621 -0.709 276 HA TRP 42 HA TRP 42 2.832 -5.359 0.974 277 HB2 TRP 42 1HB TRP 42 2.010 -5.926 -1.862 278 HB3 TRP 42 2HB TRP 42 0.937 -5.051 -0.772 279 HD1 TRP 42 HD TRP 42 4.053 -4.627 -2.866 280 HE1 TRP 42 1HE TRP 42 4.806 -2.167 -2.782 281 HE3 TRP 42 3HE TRP 42 0.960 -2.957 0.847 282 HZ2 TRP 42 2HZ TRP 42 4.174 0.171 -1.333 283 HZ3 TRP 42 3HZ TRP 42 1.098 -0.595 1.523 284 HH2 TRP 42 HH TRP 42 2.673 0.935 0.455 285 H GLU 43 H GLU 43 1.560 -6.076 2.540 286 HA GLU 43 HA GLU 43 -0.465 -8.095 1.937 287 HB2 GLU 43 1HB GLU 43 1.589 -8.329 4.137 288 HB3 GLU 43 2HB GLU 43 0.109 -9.276 4.091 289 HG2 GLU 43 1HG GLU 43 0.821 -10.165 1.882 290 HG3 GLU 43 2HG GLU 43 2.356 -9.326 2.094 291 H LYS 44 H LYS 44 -2.299 -7.987 3.221 292 HA LYS 44 HA LYS 44 -2.675 -5.461 4.590 293 HB2 LYS 44 1HB LYS 44 -4.431 -6.162 3.103 294 HB3 LYS 44 2HB LYS 44 -4.564 -7.718 3.913 295 HG2 LYS 44 1HG LYS 44 -5.629 -6.808 5.763 296 HG3 LYS 44 2HG LYS 44 -5.062 -5.174 5.407 297 HD2 LYS 44 1HD LYS 44 -7.360 -5.207 4.848 298 HD3 LYS 44 2HD LYS 44 -6.486 -5.279 3.316 299 HE2 LYS 44 1HE LYS 44 -6.947 -7.567 3.040 300 HE3 LYS 44 2HE LYS 44 -7.423 -7.760 4.727 301 HZ1 LYS 44 3HZ LYS 44 -9.260 -7.668 2.999 302 HZ2 LYS 44 1HZ LYS 44 -8.933 -6.012 2.882 303 HZ3 LYS 44 2HZ LYS 44 -9.437 -6.672 4.355 304 H THR 45 H THR 45 -2.255 -5.239 6.677 305 HA THR 45 HA THR 45 -1.980 -7.535 8.403 306 HB THR 45 HB THR 45 -1.706 -5.519 10.131 307 HG1 THR 45 1HG THR 45 -0.714 -4.261 7.821 308 HG21 THR 45 3HG2 THR 45 0.706 -5.437 8.681 309 HG22 THR 45 1HG2 THR 45 0.046 -7.056 8.459 310 HG23 THR 45 2HG2 THR 45 0.325 -6.433 10.085 311 H GLN 46 H GLN 46 -4.036 -4.625 8.362 312 HA GLN 46 HA GLN 46 -6.003 -6.116 9.969 313 HB2 GLN 46 1HB GLN 46 -4.919 -3.371 10.307 314 HB3 GLN 46 2HB GLN 46 -6.634 -3.599 10.622 315 HG2 GLN 46 1HG GLN 46 -6.179 -5.220 12.314 316 HG3 GLN 46 2HG GLN 46 -4.465 -5.237 11.905 317 HE21 GLN 46 1HE2 GLN 46 -6.674 -4.095 14.040 318 HE22 GLN 46 2HE2 GLN 46 -5.809 -2.732 14.656 319 H GLY 47 H GLY 47 -8.211 -4.793 9.850 320 HA2 GLY 47 1HA GLY 47 -9.720 -3.584 8.439 321 HA3 GLY 47 2HA GLY 47 -8.666 -3.929 7.076 322 HA PRO 48 HA PRO 48 -12.296 -6.974 7.413 323 HB2 PRO 48 1HB PRO 48 -13.746 -6.061 5.307 324 HB3 PRO 48 2HB PRO 48 -13.976 -5.473 6.958 325 HG2 PRO 48 1HG PRO 48 -12.441 -4.238 4.705 326 HG3 PRO 48 2HG PRO 48 -13.530 -3.466 5.872 327 HD2 PRO 48 1HD PRO 48 -10.834 -3.373 6.112 328 HD3 PRO 48 2HD PRO 48 -11.918 -3.394 7.518 329 H ASP 49 H ASP 49 -11.351 -8.765 6.634 330 HA ASP 49 HA ASP 49 -9.740 -8.946 4.363 331 HB2 ASP 49 1HB ASP 49 -10.176 -10.618 6.360 332 HB3 ASP 49 2HB ASP 49 -11.343 -11.313 5.238 333 H GLY 50 H GLY 50 -10.118 -9.247 2.240 334 HA2 GLY 50 1HA GLY 50 -12.093 -10.503 0.909 335 HA3 GLY 50 2HA GLY 50 -12.848 -8.968 1.310 336 H VAL 51 H VAL 51 -10.697 -7.241 1.017 337 HA VAL 51 HA VAL 51 -10.765 -6.527 -1.617 338 HB VAL 51 HB VAL 51 -8.882 -5.120 -1.252 339 HG11 VAL 51 1HG1 VAL 51 -10.141 -3.902 0.111 340 HG12 VAL 51 2HG1 VAL 51 -10.980 -5.351 0.669 341 HG13 VAL 51 3HG1 VAL 51 -9.510 -4.813 1.483 342 HG21 VAL 51 3HG2 VAL 51 -7.619 -5.535 1.034 343 HG22 VAL 51 1HG2 VAL 51 -8.119 -7.199 0.731 344 HG23 VAL 51 2HG2 VAL 51 -7.127 -6.347 -0.452 345 H GLN 52 H GLN 52 -8.836 -6.440 -3.152 346 HA GLN 52 HA GLN 52 -7.456 -9.041 -3.204 347 HB2 GLN 52 1HB GLN 52 -9.019 -7.668 -5.359 348 HB3 GLN 52 2HB GLN 52 -7.671 -8.711 -5.793 349 HG2 GLN 52 1HG GLN 52 -8.721 -10.569 -4.615 350 HG3 GLN 52 2HG GLN 52 -10.070 -9.525 -4.168 351 HE21 GLN 52 1HE2 GLN 52 -9.058 -11.806 -6.303 352 HE22 GLN 52 2HE2 GLN 52 -10.142 -11.484 -7.609 353 H LEU 53 H LEU 53 -5.336 -8.767 -3.116 354 HA LEU 53 HA LEU 53 -4.174 -6.229 -3.986 355 HB2 LEU 53 1HB LEU 53 -3.378 -8.391 -2.123 356 HB3 LEU 53 2HB LEU 53 -2.085 -7.515 -2.939 357 HG LEU 53 HG LEU 53 -4.190 -5.943 -1.538 358 HD11 LEU 53 1HD1 LEU 53 -3.354 -7.905 -0.074 359 HD12 LEU 53 2HD1 LEU 53 -3.347 -6.272 0.591 360 HD13 LEU 53 3HD1 LEU 53 -1.848 -6.989 0.000 361 HD21 LEU 53 3HD2 LEU 53 -2.442 -4.374 -1.252 362 HD22 LEU 53 1HD2 LEU 53 -2.308 -4.969 -2.907 363 HD23 LEU 53 2HD2 LEU 53 -1.207 -5.565 -1.664 364 H GLU 54 H GLU 54 -3.018 -6.030 -5.793 365 HA GLU 54 HA GLU 54 -2.183 -8.495 -7.178 366 HB2 GLU 54 1HB GLU 54 -3.368 -5.945 -8.209 367 HB3 GLU 54 2HB GLU 54 -2.303 -6.885 -9.244 368 HG2 GLU 54 1HG GLU 54 -3.788 -8.596 -9.464 369 HG3 GLU 54 2HG GLU 54 -4.528 -8.303 -7.891 370 H ASN 55 H ASN 55 -0.148 -8.589 -8.062 371 HA ASN 55 HA ASN 55 2.078 -8.161 -8.252 372 HB2 ASN 55 1HB ASN 55 0.835 -5.472 -8.660 373 HB3 ASN 55 2HB ASN 55 2.586 -5.579 -8.505 374 HD21 ASN 55 1HD2 ASN 55 0.051 -5.656 -10.621 375 HD22 ASN 55 2HD2 ASN 55 0.831 -6.412 -11.964 376 H ALA 56 H ALA 56 0.786 -8.211 -5.589 377 HA ALA 56 HA ALA 56 1.757 -6.348 -3.800 378 HB1 ALA 56 3HB ALA 56 1.007 -7.742 -2.200 379 HB2 ALA 56 1HB ALA 56 0.336 -8.634 -3.566 380 HB3 ALA 56 2HB ALA 56 1.873 -9.132 -2.856 381 H ASN 57 H ASN 57 3.488 -8.763 -5.558 382 HA ASN 57 HA ASN 57 5.824 -8.614 -3.835 383 HB2 ASN 57 1HB ASN 57 4.988 -10.279 -6.156 384 HB3 ASN 57 2HB ASN 57 6.716 -10.052 -5.906 385 HD21 ASN 57 1HD2 ASN 57 4.191 -12.009 -5.237 386 HD22 ASN 57 2HD2 ASN 57 4.773 -12.764 -3.796 387 H SER 58 H SER 58 4.803 -6.256 -5.343 388 HA SER 58 HA SER 58 7.325 -5.592 -6.696 389 HB2 SER 58 1HB SER 58 5.251 -6.097 -8.231 390 HB3 SER 58 2HB SER 58 4.750 -4.477 -7.748 391 HG SER 58 HG SER 58 6.066 -3.813 -9.235 392 H SER 59 H SER 59 7.615 -3.206 -6.941 393 HA SER 59 HA SER 59 7.379 -1.928 -4.457 394 HB2 SER 59 1HB SER 59 8.119 0.121 -5.697 395 HB3 SER 59 2HB SER 59 9.136 -1.290 -5.986 396 HG SER 59 HG SER 59 8.762 -0.588 -7.985 397 H VAL 60 H VAL 60 5.291 -1.982 -7.241 398 HA VAL 60 HA VAL 60 3.482 -0.084 -5.893 399 HB VAL 60 HB VAL 60 3.600 -0.669 -8.854 400 HG11 VAL 60 1HG1 VAL 60 1.399 -0.005 -8.222 401 HG12 VAL 60 2HG1 VAL 60 2.019 1.306 -7.218 402 HG13 VAL 60 3HG1 VAL 60 2.175 1.388 -8.973 403 HG21 VAL 60 3HG2 VAL 60 4.833 1.265 -9.189 404 HG22 VAL 60 1HG2 VAL 60 4.418 1.924 -7.606 405 HG23 VAL 60 2HG2 VAL 60 5.570 0.595 -7.734 406 H ALA 61 H ALA 61 1.857 -1.124 -4.954 407 HA ALA 61 HA ALA 61 0.800 -3.556 -6.231 408 HB1 ALA 61 3HB ALA 61 0.933 -2.664 -3.378 409 HB2 ALA 61 1HB ALA 61 -0.262 -3.856 -3.891 410 HB3 ALA 61 2HB ALA 61 1.459 -4.185 -4.100 411 H THR 62 H THR 62 -1.484 -3.876 -6.295 412 HA THR 62 HA THR 62 -3.060 -1.394 -6.098 413 HB THR 62 HB THR 62 -3.187 -3.479 -8.283 414 HG1 THR 62 1HG THR 62 -2.513 -1.796 -9.580 415 HG21 THR 62 3HG2 THR 62 -5.199 -1.601 -7.300 416 HG22 THR 62 1HG2 THR 62 -5.376 -2.990 -8.371 417 HG23 THR 62 2HG2 THR 62 -4.863 -1.433 -9.023 418 H VAL 63 H VAL 63 -4.663 -1.581 -4.690 419 HA VAL 63 HA VAL 63 -5.709 -4.261 -4.078 420 HB VAL 63 HB VAL 63 -5.884 -1.724 -2.445 421 HG11 VAL 63 1HG1 VAL 63 -6.646 -3.364 -0.660 422 HG12 VAL 63 2HG1 VAL 63 -7.805 -2.990 -1.937 423 HG13 VAL 63 3HG1 VAL 63 -6.910 -4.510 -1.974 424 HG21 VAL 63 3HG2 VAL 63 -3.743 -3.476 -2.762 425 HG22 VAL 63 1HG2 VAL 63 -3.956 -2.281 -1.482 426 HG23 VAL 63 2HG2 VAL 63 -4.489 -3.944 -1.234 427 H THR 64 H THR 64 -7.604 -4.763 -4.934 428 HA THR 64 HA THR 64 -9.490 -2.592 -5.575 429 HB THR 64 HB THR 64 -10.373 -3.885 -7.343 430 HG1 THR 64 1HG THR 64 -10.532 -5.929 -6.590 431 HG21 THR 64 3HG2 THR 64 -8.631 -3.723 -8.763 432 HG22 THR 64 1HG2 THR 64 -7.621 -4.805 -7.805 433 HG23 THR 64 2HG2 THR 64 -7.762 -3.105 -7.358 434 H GLY 65 H GLY 65 -11.832 -3.291 -5.532 435 HA2 GLY 65 1HA GLY 65 -13.649 -4.217 -4.454 436 HA3 GLY 65 2HA GLY 65 -12.583 -5.470 -3.836 437 H LEU 66 H LEU 66 -12.289 -1.976 -3.380 438 HA LEU 66 HA LEU 66 -12.111 -2.374 -0.517 439 HB2 LEU 66 1HB LEU 66 -11.730 -0.027 -2.343 440 HB3 LEU 66 2HB LEU 66 -11.817 0.184 -0.596 441 HG LEU 66 HG LEU 66 -9.850 -1.761 -1.707 442 HD11 LEU 66 1HD1 LEU 66 -9.448 0.125 -3.117 443 HD12 LEU 66 2HD1 LEU 66 -8.201 0.101 -1.871 444 HD13 LEU 66 3HD1 LEU 66 -9.546 1.235 -1.750 445 HD21 LEU 66 3HD2 LEU 66 -8.702 -0.254 0.288 446 HD22 LEU 66 1HD2 LEU 66 -9.461 -1.833 0.489 447 HD23 LEU 66 2HD2 LEU 66 -10.390 -0.364 0.789 448 H GLN 67 H GLN 67 -13.503 -1.546 1.022 449 HA GLN 67 HA GLN 67 -15.981 -0.296 0.072 450 HB2 GLN 67 1HB GLN 67 -15.894 -2.595 2.033 451 HB3 GLN 67 2HB GLN 67 -17.334 -1.748 1.483 452 HG2 GLN 67 1HG GLN 67 -16.516 -2.505 -0.880 453 HG3 GLN 67 2HG GLN 67 -15.623 -3.713 0.043 454 HE21 GLN 67 1HE2 GLN 67 -18.639 -2.778 -1.218 455 HE22 GLN 67 2HE2 GLN 67 -19.575 -4.084 -0.585 456 H VAL 68 H VAL 68 -17.091 0.956 1.639 457 HA VAL 68 HA VAL 68 -15.712 2.680 3.161 458 HB VAL 68 HB VAL 68 -18.379 1.540 4.009 459 HG11 VAL 68 1HG1 VAL 68 -16.883 3.162 5.491 460 HG12 VAL 68 2HG1 VAL 68 -17.628 4.375 4.447 461 HG13 VAL 68 3HG1 VAL 68 -18.639 3.305 5.420 462 HG21 VAL 68 3HG2 VAL 68 -17.705 3.752 2.075 463 HG22 VAL 68 1HG2 VAL 68 -18.510 2.226 1.711 464 HG23 VAL 68 2HG2 VAL 68 -19.321 3.436 2.705 465 H GLY 69 H GLY 69 -14.055 2.133 4.462 466 HA2 GLY 69 1HA GLY 69 -14.462 1.241 7.062 467 HA3 GLY 69 2HA GLY 69 -14.009 -0.170 6.118 468 H THR 70 H THR 70 -12.218 -0.061 7.772 469 HA THR 70 HA THR 70 -10.092 1.775 6.886 470 HB THR 70 HB THR 70 -9.068 0.860 9.174 471 HG1 THR 70 1HG THR 70 -10.523 -0.187 10.285 472 HG21 THR 70 3HG2 THR 70 -9.353 3.194 8.762 473 HG22 THR 70 1HG2 THR 70 -10.135 2.840 10.303 474 HG23 THR 70 2HG2 THR 70 -11.109 3.056 8.848 475 H TYR 71 H TYR 71 -8.323 0.962 5.953 476 HA TYR 71 HA TYR 71 -7.817 -1.929 6.195 477 HB2 TYR 71 1HB TYR 71 -7.613 -0.217 3.711 478 HB3 TYR 71 2HB TYR 71 -7.012 -1.867 3.827 479 HD1 TYR 71 1HD TYR 71 -10.000 0.240 3.628 480 HD2 TYR 71 2HD TYR 71 -8.546 -3.749 3.896 481 HE1 TYR 71 1HE TYR 71 -12.221 -0.605 2.994 482 HE2 TYR 71 2HE TYR 71 -10.762 -4.606 3.262 483 HH TYR 71 HH TYR 71 -12.786 -3.692 1.959 484 H VAL 72 H VAL 72 -5.872 -2.394 6.962 485 HA VAL 72 HA VAL 72 -3.772 -0.333 6.810 486 HB VAL 72 HB VAL 72 -3.853 -2.614 8.778 487 HG11 VAL 72 1HG1 VAL 72 -1.690 -1.806 8.751 488 HG12 VAL 72 2HG1 VAL 72 -2.201 -0.148 8.427 489 HG13 VAL 72 3HG1 VAL 72 -2.422 -0.843 10.034 490 HG21 VAL 72 3HG2 VAL 72 -4.484 -0.494 10.297 491 HG22 VAL 72 1HG2 VAL 72 -5.288 -0.031 8.797 492 HG23 VAL 72 2HG2 VAL 72 -5.691 -1.560 9.578 493 H PHE 73 H PHE 73 -2.494 -0.791 5.127 494 HA PHE 73 HA PHE 73 -1.697 -3.586 4.685 495 HB2 PHE 73 1HB PHE 73 -1.470 -1.230 2.801 496 HB3 PHE 73 2HB PHE 73 -1.084 -2.905 2.420 497 HD1 PHE 73 1HD PHE 73 -2.860 -4.563 2.164 498 HD2 PHE 73 2HD PHE 73 -3.731 -0.456 2.866 499 HE1 PHE 73 1HE PHE 73 -5.182 -4.934 1.439 500 HE2 PHE 73 2HE PHE 73 -6.054 -0.821 2.144 501 HZ PHE 73 HZ PHE 73 -6.783 -3.063 1.430 502 H THR 74 H THR 74 0.236 -4.157 5.399 503 HA THR 74 HA THR 74 2.216 -2.115 6.028 504 HB THR 74 HB THR 74 2.025 -5.053 6.667 505 HG1 THR 74 1HG THR 74 1.045 -3.082 7.886 506 HG21 THR 74 3HG2 THR 74 4.372 -3.197 6.963 507 HG22 THR 74 1HG2 THR 74 4.331 -4.816 6.266 508 HG23 THR 74 2HG2 THR 74 4.158 -4.601 8.008 509 H LEU 75 H LEU 75 4.283 -2.040 5.169 510 HA LEU 75 HA LEU 75 4.730 -3.693 2.771 511 HB2 LEU 75 1HB LEU 75 4.310 -1.523 1.977 512 HB3 LEU 75 2HB LEU 75 5.265 -0.781 3.260 513 HG LEU 75 HG LEU 75 7.309 -1.734 2.195 514 HD11 LEU 75 1HD1 LEU 75 6.819 -3.483 0.847 515 HD12 LEU 75 2HD1 LEU 75 6.736 -2.211 -0.370 516 HD13 LEU 75 3HD1 LEU 75 5.256 -2.822 0.368 517 HD21 LEU 75 3HD2 LEU 75 7.247 0.428 1.581 518 HD22 LEU 75 1HD2 LEU 75 5.560 0.345 1.073 519 HD23 LEU 75 2HD2 LEU 75 6.834 -0.228 -0.004 520 H THR 76 H THR 76 6.305 -5.096 3.150 521 HA THR 76 HA THR 76 8.521 -4.308 4.917 522 HB THR 76 HB THR 76 7.743 -7.099 4.053 523 HG1 THR 76 1HG THR 76 7.398 -6.121 6.669 524 HG21 THR 76 3HG2 THR 76 10.161 -6.396 4.876 525 HG22 THR 76 1HG2 THR 76 9.414 -7.906 5.397 526 HG23 THR 76 2HG2 THR 76 9.390 -6.498 6.459 527 H VAL 77 H VAL 77 10.354 -3.752 3.959 528 HA VAL 77 HA VAL 77 11.145 -5.141 1.491 529 HB VAL 77 HB VAL 77 12.115 -2.991 0.660 530 HG11 VAL 77 1HG1 VAL 77 10.291 -2.905 -0.603 531 HG12 VAL 77 2HG1 VAL 77 9.451 -3.911 0.578 532 HG13 VAL 77 3HG1 VAL 77 9.384 -2.153 0.709 533 HG21 VAL 77 3HG2 VAL 77 10.692 -1.956 3.083 534 HG22 VAL 77 1HG2 VAL 77 12.319 -1.596 2.502 535 HG23 VAL 77 2HG2 VAL 77 10.916 -0.928 1.668 536 H LYS 78 H LYS 78 13.363 -5.410 1.184 537 HA LYS 78 HA LYS 78 15.033 -4.779 3.530 538 HB2 LYS 78 1HB LYS 78 14.716 -7.275 1.950 539 HB3 LYS 78 2HB LYS 78 16.339 -6.878 2.497 540 HG2 LYS 78 1HG LYS 78 15.649 -6.888 4.781 541 HG3 LYS 78 2HG LYS 78 13.951 -7.034 4.321 542 HD2 LYS 78 1HD LYS 78 16.001 -9.099 3.561 543 HD3 LYS 78 2HD LYS 78 15.135 -9.156 5.098 544 HE2 LYS 78 1HE LYS 78 13.031 -8.882 3.541 545 HE3 LYS 78 2HE LYS 78 14.120 -9.541 2.322 546 HZ1 LYS 78 3HZ LYS 78 13.144 -11.417 3.200 547 HZ2 LYS 78 1HZ LYS 78 13.109 -10.810 4.779 548 HZ3 LYS 78 2HZ LYS 78 14.570 -11.329 4.104 549 H ASP 79 H ASP 79 16.453 -3.249 3.045 550 HA ASP 79 HA ASP 79 17.237 -2.688 0.341 551 HB2 ASP 79 1HB ASP 79 18.805 -1.033 1.545 552 HB3 ASP 79 2HB ASP 79 17.068 -0.774 1.685 553 H GLU 80 H GLU 80 19.756 -2.172 0.119 554 HA GLU 80 HA GLU 80 21.060 -4.594 -0.173 555 HB2 GLU 80 1HB GLU 80 21.701 -2.463 -1.288 556 HB3 GLU 80 2HB GLU 80 22.375 -1.904 0.236 557 HG2 GLU 80 1HG GLU 80 24.244 -2.672 -0.842 558 HG3 GLU 80 2HG GLU 80 23.783 -4.083 0.110 559 H ARG 81 H ARG 81 20.627 -2.707 2.656 560 HA ARG 81 HA ARG 81 22.873 -3.781 4.100 561 HB2 ARG 81 1HB ARG 81 20.609 -1.949 4.703 562 HB3 ARG 81 2HB ARG 81 21.353 -2.784 6.060 563 HG2 ARG 81 1HG ARG 81 23.134 -1.412 4.121 564 HG3 ARG 81 2HG ARG 81 22.196 -0.424 5.242 565 HD2 ARG 81 1HD ARG 81 24.216 -0.804 6.356 566 HD3 ARG 81 2HD ARG 81 23.099 -1.966 7.070 567 HE ARG 81 HE ARG 81 24.392 -3.654 6.236 568 HH11 ARG 81 2HH1 ARG 81 25.168 -0.705 4.556 569 HH12 ARG 81 1HH1 ARG 81 26.504 -1.395 3.694 570 HH21 ARG 81 2HH2 ARG 81 26.148 -4.573 5.107 571 HH22 ARG 81 1HH2 ARG 81 27.059 -3.595 4.007 572 H ASN 82 H ASN 82 20.290 -5.295 2.981 573 HA ASN 82 HA ASN 82 19.068 -7.131 3.547 574 HB2 ASN 82 1HB ASN 82 21.639 -7.494 5.045 575 HB3 ASN 82 2HB ASN 82 20.332 -8.652 5.272 576 HD21 ASN 82 1HD2 ASN 82 23.076 -8.186 3.658 577 HD22 ASN 82 2HD2 ASN 82 22.761 -9.092 2.221 578 H LEU 83 H LEU 83 18.736 -4.632 5.139 579 HA LEU 83 HA LEU 83 17.900 -5.673 7.737 580 HB2 LEU 83 1HB LEU 83 18.009 -3.552 8.532 581 HB3 LEU 83 2HB LEU 83 19.152 -3.410 7.199 582 HG LEU 83 HG LEU 83 17.217 -2.500 5.828 583 HD11 LEU 83 1HD1 LEU 83 15.779 -3.221 8.131 584 HD12 LEU 83 2HD1 LEU 83 15.184 -2.377 6.702 585 HD13 LEU 83 3HD1 LEU 83 15.790 -1.458 8.080 586 HD21 LEU 83 3HD2 LEU 83 17.321 -0.327 7.486 587 HD22 LEU 83 1HD2 LEU 83 18.526 -0.740 6.265 588 HD23 LEU 83 2HD2 LEU 83 18.773 -1.220 7.945 589 H GLN 84 H GLN 84 15.853 -6.144 8.207 590 HA GLN 84 HA GLN 84 13.815 -5.736 6.185 591 HB2 GLN 84 1HB GLN 84 13.971 -7.907 7.296 592 HB3 GLN 84 2HB GLN 84 13.705 -7.144 8.858 593 HG2 GLN 84 1HG GLN 84 11.662 -6.743 6.745 594 HG3 GLN 84 2HG GLN 84 11.759 -8.322 7.523 595 HE21 GLN 84 1HE2 GLN 84 10.662 -8.581 9.332 596 HE22 GLN 84 2HE2 GLN 84 10.058 -7.317 10.342 597 H SER 85 H SER 85 12.424 -4.105 6.175 598 HA SER 85 HA SER 85 11.967 -2.637 8.690 599 HB2 SER 85 1HB SER 85 13.250 -1.537 6.649 600 HB3 SER 85 2HB SER 85 11.612 -1.286 6.048 601 HG SER 85 HG SER 85 12.820 0.274 7.659 602 H GLN 86 H GLN 86 9.874 -1.660 8.948 603 HA GLN 86 HA GLN 86 7.768 -2.857 7.279 604 HB2 GLN 86 1HB GLN 86 8.214 -3.860 9.680 605 HB3 GLN 86 2HB GLN 86 7.295 -2.454 10.201 606 HG2 GLN 86 1HG GLN 86 5.484 -3.177 8.623 607 HG3 GLN 86 2HG GLN 86 6.388 -4.673 8.390 608 HE21 GLN 86 1HE2 GLN 86 6.400 -6.205 9.981 609 HE22 GLN 86 2HE2 GLN 86 5.404 -6.121 11.389 610 H SER 87 H SER 87 6.125 -1.533 6.712 611 HA SER 87 HA SER 87 5.759 1.004 8.098 612 HB2 SER 87 1HB SER 87 7.447 1.365 6.254 613 HB3 SER 87 2HB SER 87 6.180 0.940 5.104 614 HG SER 87 HG SER 87 6.542 3.272 5.705 615 H SER 88 H SER 88 3.671 0.935 8.593 616 HA SER 88 HA SER 88 1.779 -0.257 6.700 617 HB2 SER 88 1HB SER 88 1.260 0.611 9.551 618 HB3 SER 88 2HB SER 88 0.232 -0.407 8.542 619 HG SER 88 HG SER 88 2.881 -1.180 9.081 620 H VAL 89 H VAL 89 -0.045 0.836 5.967 621 HA VAL 89 HA VAL 89 -0.034 3.753 6.396 622 HB VAL 89 HB VAL 89 0.747 3.366 4.163 623 HG11 VAL 89 1HG1 VAL 89 -0.285 1.022 4.092 624 HG12 VAL 89 2HG1 VAL 89 -1.742 1.825 3.503 625 HG13 VAL 89 3HG1 VAL 89 -0.238 1.944 2.590 626 HG21 VAL 89 3HG2 VAL 89 -0.818 4.637 2.921 627 HG22 VAL 89 1HG2 VAL 89 -2.169 4.054 3.893 628 HG23 VAL 89 2HG2 VAL 89 -0.985 5.154 4.599 629 H ASN 90 H ASN 90 -2.059 4.812 6.354 630 HA ASN 90 HA ASN 90 -4.284 3.057 7.098 631 HB2 ASN 90 1HB ASN 90 -3.578 5.905 7.690 632 HB3 ASN 90 2HB ASN 90 -5.267 5.410 7.763 633 HD21 ASN 90 1HD2 ASN 90 -2.893 6.075 9.699 634 HD22 ASN 90 2HD2 ASN 90 -3.097 4.892 10.941 635 H VAL 91 H VAL 91 -5.566 2.515 5.460 636 HA VAL 91 HA VAL 91 -6.105 4.498 3.357 637 HB VAL 91 HB VAL 91 -6.589 1.516 3.292 638 HG11 VAL 91 1HG1 VAL 91 -7.683 1.816 1.379 639 HG12 VAL 91 2HG1 VAL 91 -7.693 3.545 1.734 640 HG13 VAL 91 3HG1 VAL 91 -6.408 2.855 0.742 641 HG21 VAL 91 3HG2 VAL 91 -4.207 2.017 3.372 642 HG22 VAL 91 1HG2 VAL 91 -4.665 1.434 1.772 643 HG23 VAL 91 2HG2 VAL 91 -4.387 3.155 2.037 644 H ILE 92 H ILE 92 -7.824 5.673 4.003 645 HA ILE 92 HA ILE 92 -10.137 4.308 5.167 646 HB ILE 92 HB ILE 92 -9.510 7.248 4.889 647 HG12 ILE 92 1HG1 ILE 92 -9.907 5.838 7.490 648 HG13 ILE 92 2HG1 ILE 92 -8.383 5.604 6.640 649 HG21 ILE 92 1HG2 ILE 92 -11.991 5.818 5.626 650 HG22 ILE 92 2HG2 ILE 92 -11.550 7.211 6.612 651 HG23 ILE 92 3HG2 ILE 92 -11.771 7.397 4.872 652 HD11 ILE 92 3HD1 ILE 92 -8.716 8.326 6.565 653 HD12 ILE 92 1HD1 ILE 92 -9.349 7.887 8.151 654 HD13 ILE 92 2HD1 ILE 92 -7.705 7.433 7.701 655 H VAL 93 H VAL 93 -12.023 4.046 4.124 656 HA VAL 93 HA VAL 93 -12.212 5.106 1.385 657 HB VAL 93 HB VAL 93 -13.556 2.692 2.606 658 HG11 VAL 93 1HG1 VAL 93 -14.448 2.255 0.389 659 HG12 VAL 93 2HG1 VAL 93 -14.995 3.829 0.971 660 HG13 VAL 93 3HG1 VAL 93 -13.700 3.730 -0.223 661 HG21 VAL 93 3HG2 VAL 93 -11.264 2.208 2.191 662 HG22 VAL 93 1HG2 VAL 93 -12.190 1.487 0.874 663 HG23 VAL 93 2HG2 VAL 93 -11.316 2.998 0.615 664 H LYS 94 H LYS 94 -13.480 6.829 1.236 665 HA LYS 94 HA LYS 94 -15.637 7.245 3.145 666 HB2 LYS 94 1HB LYS 94 -14.337 8.952 1.040 667 HB3 LYS 94 2HB LYS 94 -15.864 9.429 1.769 668 HG2 LYS 94 1HG LYS 94 -13.357 8.850 3.329 669 HG3 LYS 94 2HG LYS 94 -13.865 10.461 2.816 670 HD2 LYS 94 1HD LYS 94 -15.962 10.173 4.078 671 HD3 LYS 94 2HD LYS 94 -15.397 8.593 4.626 672 HE2 LYS 94 1HE LYS 94 -13.498 9.650 5.735 673 HE3 LYS 94 2HE LYS 94 -14.033 11.230 5.164 674 HZ1 LYS 94 3HZ LYS 94 -15.590 11.361 6.748 675 HZ2 LYS 94 1HZ LYS 94 -14.685 10.171 7.540 676 HZ3 LYS 94 2HZ LYS 94 -16.032 9.733 6.616 677 H GLU 95 H GLU 95 -17.661 8.354 2.053 678 HA GLU 95 HA GLU 95 -18.593 6.469 -0.001 679 HB2 GLU 95 1HB GLU 95 -20.112 8.094 2.042 680 HB3 GLU 95 2HB GLU 95 -20.885 7.165 0.765 681 HG2 GLU 95 1HG GLU 95 -19.560 5.172 1.719 682 HG3 GLU 95 2HG GLU 95 -19.362 6.190 3.144 683 H GLU 96 H GLU 96 -20.218 7.338 -1.550 684 HA GLU 96 HA GLU 96 -19.182 9.420 -3.062 685 HB2 GLU 96 1HB GLU 96 -20.703 7.756 -3.990 686 HB3 GLU 96 2HB GLU 96 -22.015 8.368 -2.992 687 HG2 GLU 96 1HG GLU 96 -20.643 10.223 -4.872 688 HG3 GLU 96 2HG GLU 96 -21.803 9.054 -5.503 689 H SER 97 H SER 97 -19.640 11.580 -3.288 690 HA SER 97 HA SER 97 -21.379 12.770 -1.228 691 HB2 SER 97 1HB SER 97 -18.611 13.525 -2.095 692 HB3 SER 97 2HB SER 97 -19.705 14.775 -1.502 693 HG SER 97 HG SER 97 -19.020 12.396 -0.110 694 H GLY 98 H GLY 98 -23.108 13.615 -2.178 695 HA2 GLY 98 1HA GLY 98 -22.846 15.589 -4.235 696 HA3 GLY 98 2HA GLY 98 -23.518 14.087 -4.853 697 HA PRO 99 HA PRO 99 -26.674 16.861 -2.498 698 HB2 PRO 99 1HB PRO 99 -27.582 18.444 -4.508 699 HB3 PRO 99 2HB PRO 99 -26.255 18.915 -3.439 700 HG2 PRO 99 1HG PRO 99 -26.147 17.772 -6.204 701 HG3 PRO 99 2HG PRO 99 -25.198 19.096 -5.502 702 HD2 PRO 99 1HD PRO 99 -24.220 16.585 -5.769 703 HD3 PRO 99 2HD PRO 99 -23.746 17.658 -4.437 704 H SER 100 H SER 100 -26.435 14.827 -5.163 705 HA SER 100 HA SER 100 -28.775 14.616 -6.439 706 HB2 SER 100 1HB SER 100 -26.902 12.990 -6.640 707 HB3 SER 100 2HB SER 100 -27.425 12.242 -5.131 708 HG SER 100 HG SER 100 -28.755 11.131 -6.298 709 H SER 101 H SER 101 -28.289 12.907 -3.343 710 HA SER 101 HA SER 101 -30.728 13.775 -2.211 711 HB2 SER 101 1HB SER 101 -31.487 12.156 -4.064 712 HB3 SER 101 2HB SER 101 -30.827 10.879 -3.042 713 HG SER 101 HG SER 101 -33.194 11.963 -2.864 714 H GLY 102 H GLY 102 -30.200 13.821 -0.135 715 HA2 GLY 102 1HA GLY 102 -29.905 12.429 1.871 716 HA3 GLY 102 2HA GLY 102 -28.694 11.530 0.969 Start of MODEL 14 1 H1 GLY 1 H GLY 1 21.690 16.807 19.351 2 HA2 GLY 1 1HA GLY 1 21.204 14.597 19.821 3 HA3 GLY 1 2HA GLY 1 19.846 14.912 18.752 4 H SER 2 H SER 2 19.655 13.122 17.554 5 HA SER 2 HA SER 2 22.036 11.801 16.518 6 HB2 SER 2 1HB SER 2 20.096 10.524 17.529 7 HB3 SER 2 2HB SER 2 19.154 10.983 16.111 8 HG SER 2 HG SER 2 20.685 8.913 16.311 9 H SER 3 H SER 3 22.776 12.057 14.517 10 HA SER 3 HA SER 3 21.058 13.453 12.572 11 HB2 SER 3 1HB SER 3 23.126 14.279 11.533 12 HB3 SER 3 2HB SER 3 23.049 14.740 13.234 13 HG SER 3 HG SER 3 24.279 12.560 13.403 14 H GLY 4 H GLY 4 20.115 11.641 11.646 15 HA2 GLY 4 1HA GLY 4 21.759 10.280 9.699 16 HA3 GLY 4 2HA GLY 4 21.137 9.230 10.963 17 H SER 5 H SER 5 19.954 8.058 9.390 18 HA SER 5 HA SER 5 17.880 9.436 7.904 19 HB2 SER 5 1HB SER 5 18.541 6.487 8.092 20 HB3 SER 5 2HB SER 5 17.374 7.203 6.981 21 HG SER 5 HG SER 5 19.143 8.434 6.116 22 H SER 6 H SER 6 15.710 9.341 8.282 23 HA SER 6 HA SER 6 14.832 7.897 10.695 24 HB2 SER 6 1HB SER 6 14.946 10.215 11.315 25 HB3 SER 6 2HB SER 6 14.115 10.708 9.840 26 HG SER 6 HG SER 6 12.456 10.640 11.166 27 H GLY 7 H GLY 7 13.937 6.199 9.541 28 HA2 GLY 7 1HA GLY 7 11.389 5.970 8.948 29 HA3 GLY 7 2HA GLY 7 11.923 6.824 7.508 30 H GLN 8 H GLN 8 11.398 3.824 8.861 31 HA GLN 8 HA GLN 8 13.445 2.278 7.688 32 HB2 GLN 8 1HB GLN 8 10.620 1.468 8.397 33 HB3 GLN 8 2HB GLN 8 11.949 0.364 8.067 34 HG2 GLN 8 1HG GLN 8 13.160 1.351 10.005 35 HG3 GLN 8 2HG GLN 8 11.706 2.277 10.374 36 HE21 GLN 8 1HE2 GLN 8 10.985 1.390 12.196 37 HE22 GLN 8 2HE2 GLN 8 10.630 -0.285 12.419 38 H ALA 9 H ALA 9 10.025 2.399 6.683 39 HA ALA 9 HA ALA 9 10.931 2.288 3.885 40 HB1 ALA 9 3HB ALA 9 9.906 0.119 5.075 41 HB2 ALA 9 1HB ALA 9 8.412 0.887 4.538 42 HB3 ALA 9 2HB ALA 9 9.667 0.484 3.366 43 H ASP 10 H ASP 10 9.157 2.892 2.340 44 HA ASP 10 HA ASP 10 7.434 4.975 3.516 45 HB2 ASP 10 1HB ASP 10 9.439 5.743 2.102 46 HB3 ASP 10 2HB ASP 10 8.550 5.106 0.722 47 H ALA 11 H ALA 11 5.398 4.299 3.442 48 HA ALA 11 HA ALA 11 4.500 2.780 1.083 49 HB1 ALA 11 3HB ALA 11 4.034 2.449 3.926 50 HB2 ALA 11 1HB ALA 11 2.532 2.504 3.004 51 HB3 ALA 11 2HB ALA 11 3.773 1.318 2.598 52 H GLY 12 H GLY 12 4.710 5.735 1.391 53 HA2 GLY 12 1HA GLY 12 3.493 7.548 0.673 54 HA3 GLY 12 2HA GLY 12 2.244 6.419 0.168 55 HA PRO 13 HA PRO 13 1.100 8.923 4.076 56 HB2 PRO 13 1HB PRO 13 -0.469 10.818 2.929 57 HB3 PRO 13 2HB PRO 13 1.263 11.041 3.201 58 HG2 PRO 13 1HG PRO 13 -0.176 10.258 0.695 59 HG3 PRO 13 2HG PRO 13 1.163 11.402 0.906 60 HD2 PRO 13 1HD PRO 13 1.532 8.877 0.000 61 HD3 PRO 13 2HD PRO 13 2.747 9.729 0.975 62 H ASP 14 H ASP 14 -1.347 9.630 4.529 63 HA ASP 14 HA ASP 14 -2.881 7.297 4.446 64 HB2 ASP 14 1HB ASP 14 -4.643 8.573 5.425 65 HB3 ASP 14 2HB ASP 14 -3.135 9.232 6.053 66 H LYS 15 H LYS 15 -4.808 6.786 3.322 67 HA LYS 15 HA LYS 15 -5.145 8.207 0.762 68 HB2 LYS 15 1HB LYS 15 -5.094 5.244 1.307 69 HB3 LYS 15 2HB LYS 15 -5.825 5.912 -0.146 70 HG2 LYS 15 1HG LYS 15 -3.031 6.672 0.554 71 HG3 LYS 15 2HG LYS 15 -3.349 5.087 -0.156 72 HD2 LYS 15 1HD LYS 15 -4.264 6.045 -2.116 73 HD3 LYS 15 2HD LYS 15 -4.366 7.644 -1.376 74 HE2 LYS 15 1HE LYS 15 -1.917 7.744 -1.283 75 HE3 LYS 15 2HE LYS 15 -1.827 6.154 -2.040 76 HZ1 LYS 15 3HZ LYS 15 -2.175 7.023 -4.047 77 HZ2 LYS 15 1HZ LYS 15 -1.825 8.525 -3.351 78 HZ3 LYS 15 2HZ LYS 15 -3.432 8.023 -3.515 79 H GLU 16 H GLU 16 -7.108 9.028 0.509 80 HA GLU 16 HA GLU 16 -9.354 7.760 1.935 81 HB2 GLU 16 1HB GLU 16 -8.483 10.164 2.590 82 HB3 GLU 16 2HB GLU 16 -9.426 10.652 1.189 83 HG2 GLU 16 1HG GLU 16 -11.427 10.081 2.160 84 HG3 GLU 16 2HG GLU 16 -10.684 8.921 3.260 85 H LEU 17 H LEU 17 -10.304 6.576 0.369 86 HA LEU 17 HA LEU 17 -10.743 7.763 -2.265 87 HB2 LEU 17 1HB LEU 17 -11.491 4.987 -1.394 88 HB3 LEU 17 2HB LEU 17 -11.263 5.590 -3.035 89 HG LEU 17 HG LEU 17 -8.951 5.540 -1.138 90 HD11 LEU 17 1HD1 LEU 17 -9.216 3.193 -2.863 91 HD12 LEU 17 2HD1 LEU 17 -10.390 3.263 -1.549 92 HD13 LEU 17 3HD1 LEU 17 -8.664 3.322 -1.193 93 HD21 LEU 17 3HD2 LEU 17 -9.014 4.989 -4.089 94 HD22 LEU 17 1HD2 LEU 17 -7.655 5.501 -3.089 95 HD23 LEU 17 2HD2 LEU 17 -8.961 6.632 -3.447 96 H THR 18 H THR 18 -12.891 7.468 -3.283 97 HA THR 18 HA THR 18 -15.101 7.525 -1.346 98 HB THR 18 HB THR 18 -14.814 9.478 -3.637 99 HG1 THR 18 1HG THR 18 -13.514 9.629 -1.481 100 HG21 THR 18 3HG2 THR 18 -16.713 10.100 -1.525 101 HG22 THR 18 1HG2 THR 18 -17.101 8.592 -2.351 102 HG23 THR 18 2HG2 THR 18 -16.937 10.086 -3.274 103 H LEU 19 H LEU 19 -16.272 5.790 -1.865 104 HA LEU 19 HA LEU 19 -16.354 4.271 -4.075 105 HB2 LEU 19 1HB LEU 19 -18.585 5.080 -2.243 106 HB3 LEU 19 2HB LEU 19 -18.856 3.946 -3.566 107 HG LEU 19 HG LEU 19 -16.931 3.547 -1.275 108 HD11 LEU 19 1HD1 LEU 19 -18.956 3.208 -0.266 109 HD12 LEU 19 2HD1 LEU 19 -18.660 1.600 -0.927 110 HD13 LEU 19 3HD1 LEU 19 -19.746 2.710 -1.762 111 HD21 LEU 19 3HD2 LEU 19 -16.908 1.195 -2.197 112 HD22 LEU 19 1HD2 LEU 19 -16.065 2.409 -3.159 113 HD23 LEU 19 2HD2 LEU 19 -17.665 1.850 -3.650 114 HA PRO 20 HA PRO 20 -18.125 3.081 -5.198 115 HB2 PRO 20 1HB PRO 20 -17.802 2.418 -7.811 116 HB3 PRO 20 2HB PRO 20 -19.369 2.849 -7.116 117 HG2 PRO 20 1HG PRO 20 -17.473 4.535 -8.706 118 HG3 PRO 20 2HG PRO 20 -19.239 4.418 -8.827 119 HD2 PRO 20 1HD PRO 20 -17.998 6.447 -7.533 120 HD3 PRO 20 2HD PRO 20 -19.581 5.819 -7.030 121 H VAL 21 H VAL 21 -15.738 5.238 -6.056 122 HA VAL 21 HA VAL 21 -13.678 3.645 -7.068 123 HB VAL 21 HB VAL 21 -13.429 6.038 -5.240 124 HG11 VAL 21 1HG1 VAL 21 -11.230 6.166 -6.713 125 HG12 VAL 21 2HG1 VAL 21 -11.294 5.237 -5.214 126 HG13 VAL 21 3HG1 VAL 21 -11.463 4.419 -6.768 127 HG21 VAL 21 3HG2 VAL 21 -12.854 6.535 -8.012 128 HG22 VAL 21 1HG2 VAL 21 -14.476 5.865 -7.834 129 HG23 VAL 21 2HG2 VAL 21 -14.024 7.325 -6.954 130 H ASP 22 H ASP 22 -13.888 1.642 -5.919 131 HA ASP 22 HA ASP 22 -12.857 1.709 -3.163 132 HB2 ASP 22 1HB ASP 22 -13.881 -0.441 -2.818 133 HB3 ASP 22 2HB ASP 22 -15.085 0.627 -3.533 134 H SER 23 H SER 23 -11.191 1.973 -5.517 135 HA SER 23 HA SER 23 -9.401 -0.273 -4.995 136 HB2 SER 23 1HB SER 23 -8.955 -0.543 -7.440 137 HB3 SER 23 2HB SER 23 -10.588 -1.016 -6.970 138 HG SER 23 HG SER 23 -11.189 1.189 -7.623 139 H THR 24 H THR 24 -7.354 0.373 -4.775 140 HA THR 24 HA THR 24 -6.336 2.683 -6.187 141 HB THR 24 HB THR 24 -7.432 3.646 -4.150 142 HG1 THR 24 1HG THR 24 -5.908 5.097 -4.312 143 HG21 THR 24 3HG2 THR 24 -5.455 1.832 -2.811 144 HG22 THR 24 1HG2 THR 24 -7.164 2.075 -2.450 145 HG23 THR 24 2HG2 THR 24 -5.988 3.319 -2.027 146 H THR 25 H THR 25 -4.060 2.841 -6.140 147 HA THR 25 HA THR 25 -2.732 0.388 -5.195 148 HB THR 25 HB THR 25 -2.400 0.414 -7.497 149 HG1 THR 25 1HG THR 25 -0.374 0.552 -6.113 150 HG21 THR 25 3HG2 THR 25 -2.434 3.358 -7.169 151 HG22 THR 25 1HG2 THR 25 -3.174 2.349 -8.410 152 HG23 THR 25 2HG2 THR 25 -1.450 2.715 -8.483 153 H LEU 26 H LEU 26 -0.704 0.524 -4.184 154 HA LEU 26 HA LEU 26 -0.176 3.132 -2.939 155 HB2 LEU 26 1HB LEU 26 0.815 0.431 -2.052 156 HB3 LEU 26 2HB LEU 26 0.889 1.945 -1.153 157 HG LEU 26 HG LEU 26 -1.757 0.763 -1.907 158 HD11 LEU 26 1HD1 LEU 26 -1.786 -0.735 -0.187 159 HD12 LEU 26 2HD1 LEU 26 -0.559 0.130 0.738 160 HD13 LEU 26 3HD1 LEU 26 -0.089 -0.847 -0.653 161 HD21 LEU 26 3HD2 LEU 26 -1.210 3.118 -0.836 162 HD22 LEU 26 1HD2 LEU 26 -1.154 2.161 0.644 163 HD23 LEU 26 2HD2 LEU 26 -2.618 2.179 -0.339 164 H ASP 27 H ASP 27 1.402 4.246 -3.868 165 HA ASP 27 HA ASP 27 3.453 2.948 -5.427 166 HB2 ASP 27 1HB ASP 27 4.202 5.198 -5.964 167 HB3 ASP 27 2HB ASP 27 2.452 5.101 -6.132 168 H GLY 28 H GLY 28 4.900 1.845 -4.214 169 HA2 GLY 28 1HA GLY 28 6.074 3.193 -1.878 170 HA3 GLY 28 2HA GLY 28 6.144 1.468 -2.203 171 H SER 29 H SER 29 6.763 3.727 -4.760 172 HA SER 29 HA SER 29 9.364 2.639 -5.202 173 HB2 SER 29 1HB SER 29 7.686 3.616 -6.928 174 HB3 SER 29 2HB SER 29 8.378 5.175 -6.482 175 HG SER 29 HG SER 29 10.453 4.241 -7.012 176 H LYS 30 H LYS 30 8.123 5.653 -3.859 177 HA LYS 30 HA LYS 30 10.719 6.846 -3.573 178 HB2 LYS 30 1HB LYS 30 7.968 7.568 -2.585 179 HB3 LYS 30 2HB LYS 30 9.392 8.474 -2.090 180 HG2 LYS 30 1HG LYS 30 9.749 9.327 -4.201 181 HG3 LYS 30 2HG LYS 30 8.852 8.028 -4.991 182 HD2 LYS 30 1HD LYS 30 6.761 8.924 -4.180 183 HD3 LYS 30 2HD LYS 30 7.613 10.156 -3.247 184 HE2 LYS 30 1HE LYS 30 6.757 11.143 -5.271 185 HE3 LYS 30 2HE LYS 30 8.516 11.073 -5.359 186 HZ1 LYS 30 3HZ LYS 30 8.023 10.235 -7.387 187 HZ2 LYS 30 1HZ LYS 30 6.519 9.622 -6.912 188 HZ3 LYS 30 2HZ LYS 30 7.935 8.784 -6.521 189 H SER 31 H SER 31 11.298 4.610 -2.486 190 HA SER 31 HA SER 31 10.613 4.348 0.281 191 HB2 SER 31 1HB SER 31 12.356 2.571 0.288 192 HB3 SER 31 2HB SER 31 11.179 2.367 -1.010 193 HG SER 31 HG SER 31 13.143 2.108 -1.951 194 H SER 32 H SER 32 12.615 4.008 1.833 195 HA SER 32 HA SER 32 13.607 6.480 2.512 196 HB2 SER 32 1HB SER 32 13.752 4.835 4.179 197 HB3 SER 32 2HB SER 32 14.576 3.696 3.115 198 HG SER 32 HG SER 32 15.741 6.155 3.885 199 H ASP 33 H ASP 33 15.561 7.560 2.238 200 HA ASP 33 HA ASP 33 16.724 7.434 -0.310 201 HB2 ASP 33 1HB ASP 33 16.716 9.466 1.088 202 HB3 ASP 33 2HB ASP 33 17.846 8.698 2.200 203 H ASP 34 H ASP 34 17.485 5.381 -0.763 204 HA ASP 34 HA ASP 34 20.157 4.831 0.039 205 HB2 ASP 34 1HB ASP 34 17.933 3.358 1.361 206 HB3 ASP 34 2HB ASP 34 19.346 2.427 0.873 207 H GLN 35 H GLN 35 20.962 2.769 -0.947 208 HA GLN 35 HA GLN 35 20.534 2.646 -3.634 209 HB2 GLN 35 1HB GLN 35 21.642 0.514 -3.644 210 HB3 GLN 35 2HB GLN 35 22.374 1.509 -2.392 211 HG2 GLN 35 1HG GLN 35 20.703 0.313 -0.815 212 HG3 GLN 35 2HG GLN 35 20.602 -0.875 -2.114 213 HE21 GLN 35 1HE2 GLN 35 21.509 -1.639 0.320 214 HE22 GLN 35 2HE2 GLN 35 23.204 -1.966 0.253 215 H LYS 36 H LYS 36 19.197 1.603 -5.040 216 HA LYS 36 HA LYS 36 16.582 1.157 -4.505 217 HB2 LYS 36 1HB LYS 36 18.373 -0.166 -6.532 218 HB3 LYS 36 2HB LYS 36 16.644 -0.487 -6.478 219 HG2 LYS 36 1HG LYS 36 17.589 2.335 -6.595 220 HG3 LYS 36 2HG LYS 36 17.617 1.350 -8.059 221 HD2 LYS 36 1HD LYS 36 15.530 2.466 -8.056 222 HD3 LYS 36 2HD LYS 36 15.194 0.800 -7.580 223 HE2 LYS 36 1HE LYS 36 14.766 1.375 -5.386 224 HE3 LYS 36 2HE LYS 36 15.719 2.855 -5.478 225 HZ1 LYS 36 3HZ LYS 36 12.939 2.403 -6.148 226 HZ2 LYS 36 1HZ LYS 36 13.789 3.358 -7.256 227 HZ3 LYS 36 2HZ LYS 36 13.714 3.815 -5.630 228 H ILE 37 H ILE 37 15.263 -0.533 -3.891 229 HA ILE 37 HA ILE 37 16.580 -2.626 -2.346 230 HB ILE 37 HB ILE 37 13.607 -2.284 -2.505 231 HG12 ILE 37 1HG1 ILE 37 15.400 -0.713 -0.647 232 HG13 ILE 37 2HG1 ILE 37 14.696 -0.043 -2.114 233 HG21 ILE 37 1HG2 ILE 37 14.850 -2.791 0.073 234 HG22 ILE 37 2HG2 ILE 37 13.574 -3.675 -0.761 235 HG23 ILE 37 3HG2 ILE 37 15.265 -4.007 -1.135 236 HD11 ILE 37 3HD1 ILE 37 12.498 -0.262 -1.255 237 HD12 ILE 37 1HD1 ILE 37 13.061 -1.219 0.114 238 HD13 ILE 37 2HD1 ILE 37 13.481 0.491 0.001 239 H ILE 38 H ILE 38 16.644 -4.712 -2.915 240 HA ILE 38 HA ILE 38 15.477 -5.469 -5.478 241 HB ILE 38 HB ILE 38 16.815 -7.588 -5.127 242 HG12 ILE 38 1HG1 ILE 38 18.396 -6.094 -3.078 243 HG13 ILE 38 2HG1 ILE 38 16.952 -6.956 -2.559 244 HG21 ILE 38 1HG2 ILE 38 18.132 -6.474 -6.527 245 HG22 ILE 38 2HG2 ILE 38 17.684 -4.931 -5.802 246 HG23 ILE 38 3HG2 ILE 38 19.018 -5.868 -5.128 247 HD11 ILE 38 3HD1 ILE 38 18.487 -8.590 -2.251 248 HD12 ILE 38 1HD1 ILE 38 18.083 -8.912 -3.937 249 HD13 ILE 38 2HD1 ILE 38 19.539 -8.000 -3.537 250 H SER 39 H SER 39 13.824 -5.134 -3.061 251 HA SER 39 HA SER 39 12.337 -7.587 -3.294 252 HB2 SER 39 1HB SER 39 12.316 -8.064 -0.857 253 HB3 SER 39 2HB SER 39 13.917 -8.263 -1.568 254 HG SER 39 HG SER 39 14.088 -5.893 -0.855 255 H TYR 40 H TYR 40 10.207 -7.232 -3.022 256 HA TYR 40 HA TYR 40 9.292 -4.933 -1.484 257 HB2 TYR 40 1HB TYR 40 8.802 -5.285 -4.440 258 HB3 TYR 40 2HB TYR 40 7.788 -4.265 -3.426 259 HD1 TYR 40 1HD TYR 40 9.079 -2.464 -2.011 260 HD2 TYR 40 2HD TYR 40 10.634 -4.344 -5.496 261 HE1 TYR 40 1HE TYR 40 10.652 -0.597 -2.309 262 HE2 TYR 40 2HE TYR 40 12.212 -2.483 -5.803 263 HH TYR 40 HH TYR 40 13.001 -0.340 -3.490 264 H LEU 41 H LEU 41 7.567 -5.468 -0.324 265 HA LEU 41 HA LEU 41 5.777 -7.575 -1.320 266 HB2 LEU 41 1HB LEU 41 7.294 -8.568 0.312 267 HB3 LEU 41 2HB LEU 41 6.846 -7.335 1.489 268 HG LEU 41 HG LEU 41 4.536 -8.237 1.485 269 HD11 LEU 41 1HD1 LEU 41 5.769 -10.208 -0.411 270 HD12 LEU 41 2HD1 LEU 41 4.289 -9.268 -0.600 271 HD13 LEU 41 3HD1 LEU 41 4.343 -10.604 0.550 272 HD21 LEU 41 3HD2 LEU 41 5.022 -9.780 3.081 273 HD22 LEU 41 1HD2 LEU 41 6.619 -9.050 2.922 274 HD23 LEU 41 2HD2 LEU 41 6.259 -10.570 2.102 275 H TRP 42 H TRP 42 3.621 -7.330 -0.832 276 HA TRP 42 HA TRP 42 2.859 -4.987 0.769 277 HB2 TRP 42 1HB TRP 42 2.057 -5.628 -2.052 278 HB3 TRP 42 2HB TRP 42 0.971 -4.716 -1.007 279 HD1 TRP 42 HD TRP 42 4.015 -4.333 -3.164 280 HE1 TRP 42 1HE TRP 42 4.830 -1.892 -3.091 281 HE3 TRP 42 3HE TRP 42 1.139 -2.631 0.705 282 HZ2 TRP 42 2HZ TRP 42 4.321 0.444 -1.592 283 HZ3 TRP 42 3HZ TRP 42 1.364 -0.281 1.397 284 HH2 TRP 42 HH TRP 42 2.923 1.223 0.272 285 H GLU 43 H GLU 43 1.637 -5.675 2.389 286 HA GLU 43 HA GLU 43 -0.480 -7.622 1.845 287 HB2 GLU 43 1HB GLU 43 1.383 -7.848 4.214 288 HB3 GLU 43 2HB GLU 43 0.047 -8.923 3.824 289 HG2 GLU 43 1HG GLU 43 1.183 -9.702 1.853 290 HG3 GLU 43 2HG GLU 43 2.481 -8.535 2.098 291 H LYS 44 H LYS 44 -2.255 -7.517 3.271 292 HA LYS 44 HA LYS 44 -2.589 -4.903 4.492 293 HB2 LYS 44 1HB LYS 44 -4.381 -5.730 3.077 294 HB3 LYS 44 2HB LYS 44 -4.526 -7.184 4.057 295 HG2 LYS 44 1HG LYS 44 -5.333 -5.909 5.926 296 HG3 LYS 44 2HG LYS 44 -5.044 -4.395 5.066 297 HD2 LYS 44 1HD LYS 44 -7.402 -4.973 4.990 298 HD3 LYS 44 2HD LYS 44 -6.700 -5.061 3.373 299 HE2 LYS 44 1HE LYS 44 -6.837 -7.508 5.086 300 HE3 LYS 44 2HE LYS 44 -8.268 -6.962 4.214 301 HZ1 LYS 44 3HZ LYS 44 -6.357 -6.874 2.316 302 HZ2 LYS 44 1HZ LYS 44 -7.432 -8.160 2.544 303 HZ3 LYS 44 2HZ LYS 44 -5.881 -8.225 3.215 304 H THR 45 H THR 45 -1.952 -4.625 6.521 305 HA THR 45 HA THR 45 -1.600 -6.784 8.356 306 HB THR 45 HB THR 45 -1.419 -4.695 9.997 307 HG1 THR 45 1HG THR 45 -0.676 -3.473 7.558 308 HG21 THR 45 3HG2 THR 45 0.670 -5.212 7.882 309 HG22 THR 45 1HG2 THR 45 0.394 -6.257 9.275 310 HG23 THR 45 2HG2 THR 45 0.931 -4.594 9.512 311 H GLN 46 H GLN 46 -3.861 -4.032 8.239 312 HA GLN 46 HA GLN 46 -5.693 -5.596 9.932 313 HB2 GLN 46 1HB GLN 46 -4.770 -2.784 10.202 314 HB3 GLN 46 2HB GLN 46 -6.458 -3.114 10.565 315 HG2 GLN 46 1HG GLN 46 -5.914 -4.563 12.323 316 HG3 GLN 46 2HG GLN 46 -4.236 -4.701 11.799 317 HE21 GLN 46 1HE2 GLN 46 -2.773 -3.160 12.392 318 HE22 GLN 46 2HE2 GLN 46 -3.126 -1.892 13.511 319 H GLY 47 H GLY 47 -7.965 -4.323 9.849 320 HA2 GLY 47 1HA GLY 47 -9.575 -3.261 8.453 321 HA3 GLY 47 2HA GLY 47 -8.528 -3.554 7.072 322 HA PRO 48 HA PRO 48 -11.967 -6.798 7.480 323 HB2 PRO 48 1HB PRO 48 -13.464 -6.011 5.356 324 HB3 PRO 48 2HB PRO 48 -13.726 -5.402 6.995 325 HG2 PRO 48 1HG PRO 48 -12.261 -4.133 4.714 326 HG3 PRO 48 2HG PRO 48 -13.391 -3.397 5.866 327 HD2 PRO 48 1HD PRO 48 -10.704 -3.151 6.101 328 HD3 PRO 48 2HD PRO 48 -11.785 -3.202 7.508 329 H ASP 49 H ASP 49 -10.876 -8.533 6.750 330 HA ASP 49 HA ASP 49 -9.264 -8.687 4.493 331 HB2 ASP 49 1HB ASP 49 -10.820 -10.931 5.796 332 HB3 ASP 49 2HB ASP 49 -9.435 -11.124 4.725 333 H GLY 50 H GLY 50 -9.576 -9.714 2.446 334 HA2 GLY 50 1HA GLY 50 -11.465 -10.848 1.106 335 HA3 GLY 50 2HA GLY 50 -12.320 -9.350 1.445 336 H VAL 51 H VAL 51 -10.424 -7.443 1.067 337 HA VAL 51 HA VAL 51 -10.462 -6.843 -1.567 338 HB VAL 51 HB VAL 51 -8.475 -5.431 -1.239 339 HG11 VAL 51 1HG1 VAL 51 -9.408 -4.461 1.098 340 HG12 VAL 51 2HG1 VAL 51 -10.196 -4.198 -0.459 341 HG13 VAL 51 3HG1 VAL 51 -10.765 -5.478 0.615 342 HG21 VAL 51 3HG2 VAL 51 -8.265 -6.711 1.483 343 HG22 VAL 51 1HG2 VAL 51 -7.205 -7.077 0.121 344 HG23 VAL 51 2HG2 VAL 51 -7.223 -5.455 0.814 345 H GLN 52 H GLN 52 -8.709 -6.785 -3.202 346 HA GLN 52 HA GLN 52 -7.087 -9.243 -3.129 347 HB2 GLN 52 1HB GLN 52 -8.875 -8.157 -5.250 348 HB3 GLN 52 2HB GLN 52 -7.402 -8.975 -5.755 349 HG2 GLN 52 1HG GLN 52 -8.827 -10.738 -5.742 350 HG3 GLN 52 2HG GLN 52 -8.257 -10.814 -4.075 351 HE21 GLN 52 1HE2 GLN 52 -10.716 -8.998 -5.886 352 HE22 GLN 52 2HE2 GLN 52 -11.998 -9.287 -4.764 353 H LEU 53 H LEU 53 -4.998 -8.782 -3.079 354 HA LEU 53 HA LEU 53 -4.050 -6.213 -4.077 355 HB2 LEU 53 1HB LEU 53 -3.026 -8.288 -2.227 356 HB3 LEU 53 2HB LEU 53 -1.830 -7.349 -3.119 357 HG LEU 53 HG LEU 53 -3.958 -5.876 -1.650 358 HD11 LEU 53 1HD1 LEU 53 -1.504 -6.810 -0.209 359 HD12 LEU 53 2HD1 LEU 53 -2.997 -7.747 -0.175 360 HD13 LEU 53 3HD1 LEU 53 -2.977 -6.097 0.447 361 HD21 LEU 53 3HD2 LEU 53 -2.154 -4.853 -3.119 362 HD22 LEU 53 1HD2 LEU 53 -1.011 -5.324 -1.861 363 HD23 LEU 53 2HD2 LEU 53 -2.316 -4.197 -1.489 364 H GLU 54 H GLU 54 -2.989 -5.958 -5.936 365 HA GLU 54 HA GLU 54 -2.169 -8.381 -7.395 366 HB2 GLU 54 1HB GLU 54 -3.274 -5.747 -8.290 367 HB3 GLU 54 2HB GLU 54 -2.243 -6.663 -9.380 368 HG2 GLU 54 1HG GLU 54 -3.776 -8.328 -9.663 369 HG3 GLU 54 2HG GLU 54 -4.513 -8.069 -8.083 370 H ASN 55 H ASN 55 -0.134 -8.547 -8.229 371 HA ASN 55 HA ASN 55 2.119 -8.230 -8.328 372 HB2 ASN 55 1HB ASN 55 0.961 -5.559 -8.989 373 HB3 ASN 55 2HB ASN 55 2.701 -5.674 -8.744 374 HD21 ASN 55 1HD2 ASN 55 0.513 -5.559 -11.059 375 HD22 ASN 55 2HD2 ASN 55 1.247 -6.557 -12.264 376 H ALA 56 H ALA 56 0.827 -8.111 -5.704 377 HA ALA 56 HA ALA 56 1.695 -6.157 -3.992 378 HB1 ALA 56 3HB ALA 56 0.313 -8.295 -3.538 379 HB2 ALA 56 1HB ALA 56 1.873 -9.029 -3.167 380 HB3 ALA 56 2HB ALA 56 1.312 -7.633 -2.245 381 H ASN 57 H ASN 57 3.603 -8.469 -5.687 382 HA ASN 57 HA ASN 57 5.907 -8.204 -3.955 383 HB2 ASN 57 1HB ASN 57 5.314 -10.306 -5.250 384 HB3 ASN 57 2HB ASN 57 5.825 -9.453 -6.703 385 HD21 ASN 57 1HD2 ASN 57 6.882 -10.649 -3.580 386 HD22 ASN 57 2HD2 ASN 57 8.558 -10.769 -3.984 387 H SER 58 H SER 58 4.735 -5.834 -5.323 388 HA SER 58 HA SER 58 7.242 -4.813 -6.413 389 HB2 SER 58 1HB SER 58 4.667 -5.030 -7.920 390 HB3 SER 58 2HB SER 58 5.701 -3.630 -8.205 391 HG SER 58 HG SER 58 7.075 -4.860 -9.224 392 H SER 59 H SER 59 7.602 -2.685 -5.974 393 HA SER 59 HA SER 59 6.590 -1.421 -3.835 394 HB2 SER 59 1HB SER 59 7.374 0.694 -4.752 395 HB3 SER 59 2HB SER 59 8.499 -0.591 -5.193 396 HG SER 59 HG SER 59 6.685 0.823 -6.796 397 H VAL 60 H VAL 60 5.090 -1.577 -6.987 398 HA VAL 60 HA VAL 60 2.891 0.134 -6.053 399 HB VAL 60 HB VAL 60 3.480 -0.825 -8.857 400 HG11 VAL 60 1HG1 VAL 60 1.474 1.176 -7.823 401 HG12 VAL 60 2HG1 VAL 60 1.807 0.850 -9.525 402 HG13 VAL 60 3HG1 VAL 60 1.114 -0.410 -8.503 403 HG21 VAL 60 3HG2 VAL 60 4.616 1.305 -7.311 404 HG22 VAL 60 1HG2 VAL 60 4.991 0.800 -8.959 405 HG23 VAL 60 2HG2 VAL 60 3.704 1.970 -8.666 406 H ALA 61 H ALA 61 1.439 -1.072 -4.987 407 HA ALA 61 HA ALA 61 0.575 -3.607 -6.219 408 HB1 ALA 61 3HB ALA 61 -0.209 -4.241 -3.951 409 HB2 ALA 61 1HB ALA 61 1.535 -4.001 -4.054 410 HB3 ALA 61 2HB ALA 61 0.515 -2.758 -3.328 411 H THR 62 H THR 62 -1.410 -3.668 -7.031 412 HA THR 62 HA THR 62 -3.232 -1.451 -6.496 413 HB THR 62 HB THR 62 -3.454 -3.685 -8.524 414 HG1 THR 62 1HG THR 62 -1.900 -2.444 -9.347 415 HG21 THR 62 3HG2 THR 62 -5.391 -1.846 -7.566 416 HG22 THR 62 1HG2 THR 62 -5.536 -2.990 -8.900 417 HG23 THR 62 2HG2 THR 62 -4.948 -1.354 -9.201 418 H VAL 63 H VAL 63 -4.873 -1.620 -5.125 419 HA VAL 63 HA VAL 63 -5.786 -4.315 -4.354 420 HB VAL 63 HB VAL 63 -5.780 -1.762 -2.741 421 HG11 VAL 63 1HG1 VAL 63 -7.112 -4.402 -2.277 422 HG12 VAL 63 2HG1 VAL 63 -6.578 -3.414 -0.916 423 HG13 VAL 63 3HG1 VAL 63 -7.755 -2.774 -2.063 424 HG21 VAL 63 3HG2 VAL 63 -3.818 -2.455 -1.967 425 HG22 VAL 63 1HG2 VAL 63 -4.548 -3.973 -1.444 426 HG23 VAL 63 2HG2 VAL 63 -3.872 -3.832 -3.067 427 H THR 64 H THR 64 -7.762 -4.842 -4.988 428 HA THR 64 HA THR 64 -9.729 -2.688 -5.418 429 HB THR 64 HB THR 64 -10.640 -3.809 -7.299 430 HG1 THR 64 1HG THR 64 -10.592 -5.943 -6.808 431 HG21 THR 64 3HG2 THR 64 -9.014 -3.204 -8.713 432 HG22 THR 64 1HG2 THR 64 -7.922 -4.451 -8.112 433 HG23 THR 64 2HG2 THR 64 -8.027 -2.897 -7.285 434 H GLY 65 H GLY 65 -11.874 -3.104 -4.848 435 HA2 GLY 65 1HA GLY 65 -13.634 -4.510 -4.065 436 HA3 GLY 65 2HA GLY 65 -12.426 -5.656 -3.503 437 H LEU 66 H LEU 66 -12.264 -2.204 -2.905 438 HA LEU 66 HA LEU 66 -12.127 -2.684 -0.065 439 HB2 LEU 66 1HB LEU 66 -11.998 -0.169 -1.716 440 HB3 LEU 66 2HB LEU 66 -11.853 -0.194 0.041 441 HG LEU 66 HG LEU 66 -9.978 -1.708 -1.761 442 HD11 LEU 66 1HD1 LEU 66 -8.406 0.201 -1.338 443 HD12 LEU 66 2HD1 LEU 66 -9.794 1.127 -0.767 444 HD13 LEU 66 3HD1 LEU 66 -9.740 0.557 -2.436 445 HD21 LEU 66 3HD2 LEU 66 -10.127 -2.364 0.623 446 HD22 LEU 66 1HD2 LEU 66 -9.675 -0.719 1.071 447 HD23 LEU 66 2HD2 LEU 66 -8.544 -1.730 0.172 448 H GLN 67 H GLN 67 -13.385 -1.185 1.420 449 HA GLN 67 HA GLN 67 -15.990 -0.357 0.503 450 HB2 GLN 67 1HB GLN 67 -15.763 -2.616 2.499 451 HB3 GLN 67 2HB GLN 67 -17.253 -1.814 2.020 452 HG2 GLN 67 1HG GLN 67 -16.732 -2.569 -0.341 453 HG3 GLN 67 2HG GLN 67 -15.492 -3.599 0.373 454 HE21 GLN 67 1HE2 GLN 67 -16.455 -4.781 2.426 455 HE22 GLN 67 2HE2 GLN 67 -17.929 -5.625 2.114 456 H VAL 68 H VAL 68 -17.089 0.956 1.995 457 HA VAL 68 HA VAL 68 -15.743 2.738 3.477 458 HB VAL 68 HB VAL 68 -18.439 1.592 4.214 459 HG11 VAL 68 1HG1 VAL 68 -16.865 3.873 5.288 460 HG12 VAL 68 2HG1 VAL 68 -18.611 4.067 5.123 461 HG13 VAL 68 3HG1 VAL 68 -17.957 2.763 6.115 462 HG21 VAL 68 3HG2 VAL 68 -17.561 3.186 2.019 463 HG22 VAL 68 1HG2 VAL 68 -19.190 2.626 2.399 464 HG23 VAL 68 2HG2 VAL 68 -18.611 4.161 3.046 465 H GLY 69 H GLY 69 -14.003 1.988 4.648 466 HA2 GLY 69 1HA GLY 69 -14.483 1.237 7.334 467 HA3 GLY 69 2HA GLY 69 -13.970 -0.168 6.413 468 H THR 70 H THR 70 -12.082 -0.299 7.707 469 HA THR 70 HA THR 70 -10.073 1.770 7.091 470 HB THR 70 HB THR 70 -10.055 -0.053 9.500 471 HG1 THR 70 1HG THR 70 -10.862 2.675 9.282 472 HG21 THR 70 3HG2 THR 70 -7.868 0.859 8.683 473 HG22 THR 70 1HG2 THR 70 -8.299 1.355 10.320 474 HG23 THR 70 2HG2 THR 70 -8.501 2.479 8.976 475 H TYR 71 H TYR 71 -8.240 1.154 6.106 476 HA TYR 71 HA TYR 71 -7.620 -1.717 5.967 477 HB2 TYR 71 1HB TYR 71 -7.702 0.247 3.675 478 HB3 TYR 71 2HB TYR 71 -6.901 -1.317 3.576 479 HD1 TYR 71 2HD TYR 71 -8.250 -3.403 3.754 480 HD2 TYR 71 1HD TYR 71 -10.069 0.435 3.502 481 HE1 TYR 71 2HE TYR 71 -10.382 -4.460 3.131 482 HE2 TYR 71 1HE TYR 71 -12.205 -0.612 2.879 483 HH TYR 71 HH TYR 71 -12.448 -3.940 2.046 484 H VAL 72 H VAL 72 -5.686 -2.047 6.820 485 HA VAL 72 HA VAL 72 -3.641 0.058 6.549 486 HB VAL 72 HB VAL 72 -3.643 -2.100 8.651 487 HG11 VAL 72 1HG1 VAL 72 -2.297 0.593 8.648 488 HG12 VAL 72 2HG1 VAL 72 -2.024 -0.753 9.756 489 HG13 VAL 72 3HG1 VAL 72 -1.523 -0.881 8.070 490 HG21 VAL 72 3HG2 VAL 72 -4.791 -0.748 10.149 491 HG22 VAL 72 1HG2 VAL 72 -4.527 0.709 9.190 492 HG23 VAL 72 2HG2 VAL 72 -5.683 -0.507 8.646 493 H PHE 73 H PHE 73 -2.124 -0.417 5.114 494 HA PHE 73 HA PHE 73 -1.406 -3.242 4.697 495 HB2 PHE 73 1HB PHE 73 -1.045 -0.919 2.793 496 HB3 PHE 73 2HB PHE 73 -0.679 -2.608 2.455 497 HD1 PHE 73 2HD PHE 73 -3.330 -0.127 2.869 498 HD2 PHE 73 1HD PHE 73 -2.436 -4.199 2.010 499 HE1 PHE 73 2HE PHE 73 -5.625 -0.454 2.043 500 HE2 PHE 73 1HE PHE 73 -4.729 -4.532 1.182 501 HZ PHE 73 HZ PHE 73 -6.327 -2.658 1.199 502 H THR 74 H THR 74 0.590 -3.887 5.183 503 HA THR 74 HA THR 74 2.551 -1.844 5.958 504 HB THR 74 HB THR 74 2.314 -4.763 6.684 505 HG1 THR 74 1HG THR 74 1.199 -2.797 7.773 506 HG21 THR 74 3HG2 THR 74 4.523 -4.837 6.973 507 HG22 THR 74 1HG2 THR 74 4.358 -3.580 8.199 508 HG23 THR 74 2HG2 THR 74 4.685 -3.140 6.522 509 H LEU 75 H LEU 75 3.778 -1.310 4.250 510 HA LEU 75 HA LEU 75 4.504 -3.217 2.224 511 HB2 LEU 75 1HB LEU 75 4.195 -1.056 1.412 512 HB3 LEU 75 2HB LEU 75 5.112 -0.329 2.730 513 HG LEU 75 HG LEU 75 7.145 -1.518 1.665 514 HD11 LEU 75 1HD1 LEU 75 5.897 -1.227 -0.955 515 HD12 LEU 75 2HD1 LEU 75 5.232 -2.551 0.001 516 HD13 LEU 75 3HD1 LEU 75 6.962 -2.490 -0.337 517 HD21 LEU 75 3HD2 LEU 75 5.744 0.865 0.478 518 HD22 LEU 75 1HD2 LEU 75 7.375 0.379 0.016 519 HD23 LEU 75 2HD2 LEU 75 7.033 0.845 1.683 520 H THR 76 H THR 76 5.892 -4.771 2.820 521 HA THR 76 HA THR 76 8.174 -4.116 4.519 522 HB THR 76 HB THR 76 7.575 -6.853 3.425 523 HG1 THR 76 1HG THR 76 6.229 -5.411 5.429 524 HG21 THR 76 3HG2 THR 76 8.533 -7.443 5.719 525 HG22 THR 76 1HG2 THR 76 9.033 -5.755 5.817 526 HG23 THR 76 2HG2 THR 76 9.655 -6.786 4.528 527 H VAL 77 H VAL 77 10.273 -4.171 3.868 528 HA VAL 77 HA VAL 77 10.901 -5.070 1.157 529 HB VAL 77 HB VAL 77 12.081 -3.065 0.564 530 HG11 VAL 77 1HG1 VAL 77 9.418 -3.264 0.564 531 HG12 VAL 77 2HG1 VAL 77 9.590 -1.835 1.584 532 HG13 VAL 77 3HG1 VAL 77 10.269 -1.845 -0.045 533 HG21 VAL 77 3HG2 VAL 77 12.015 -2.578 3.378 534 HG22 VAL 77 1HG2 VAL 77 12.945 -1.750 2.130 535 HG23 VAL 77 2HG2 VAL 77 11.321 -1.194 2.534 536 H LYS 78 H LYS 78 13.239 -5.246 0.776 537 HA LYS 78 HA LYS 78 14.890 -5.337 3.185 538 HB2 LYS 78 1HB LYS 78 14.031 -7.680 1.570 539 HB3 LYS 78 2HB LYS 78 15.707 -7.647 2.103 540 HG2 LYS 78 1HG LYS 78 15.018 -7.491 4.408 541 HG3 LYS 78 2HG LYS 78 13.324 -7.377 3.924 542 HD2 LYS 78 1HD LYS 78 14.891 -9.722 2.983 543 HD3 LYS 78 2HD LYS 78 14.415 -9.672 4.682 544 HE2 LYS 78 1HE LYS 78 12.722 -10.846 3.465 545 HE3 LYS 78 2HE LYS 78 12.069 -9.279 3.941 546 HZ1 LYS 78 3HZ LYS 78 11.770 -10.158 1.523 547 HZ2 LYS 78 1HZ LYS 78 13.332 -9.546 1.306 548 HZ3 LYS 78 2HZ LYS 78 12.082 -8.519 1.800 549 H ASP 79 H ASP 79 16.584 -4.117 2.694 550 HA ASP 79 HA ASP 79 17.422 -3.604 0.022 551 HB2 ASP 79 1HB ASP 79 18.347 -2.825 2.743 552 HB3 ASP 79 2HB ASP 79 19.494 -2.666 1.416 553 H GLU 80 H GLU 80 20.017 -3.715 -0.249 554 HA GLU 80 HA GLU 80 20.613 -6.364 -0.838 555 HB2 GLU 80 1HB GLU 80 22.351 -3.934 -0.486 556 HB3 GLU 80 2HB GLU 80 23.038 -5.498 -0.900 557 HG2 GLU 80 1HG GLU 80 20.792 -4.440 -2.537 558 HG3 GLU 80 2HG GLU 80 22.405 -3.762 -2.753 559 H ARG 81 H ARG 81 21.206 -4.505 2.072 560 HA ARG 81 HA ARG 81 22.842 -6.578 3.260 561 HB2 ARG 81 1HB ARG 81 21.960 -3.842 4.031 562 HB3 ARG 81 2HB ARG 81 22.385 -4.953 5.326 563 HG2 ARG 81 1HG ARG 81 24.166 -4.188 3.020 564 HG3 ARG 81 2HG ARG 81 24.272 -3.553 4.663 565 HD2 ARG 81 1HD ARG 81 24.539 -5.978 5.403 566 HD3 ARG 81 2HD ARG 81 24.807 -6.348 3.700 567 HE ARG 81 HE ARG 81 26.523 -4.268 4.384 568 HH11 ARG 81 2HH1 ARG 81 26.015 -7.611 5.210 569 HH12 ARG 81 1HH1 ARG 81 27.681 -7.909 5.581 570 HH21 ARG 81 2HH2 ARG 81 28.719 -4.647 4.869 571 HH22 ARG 81 1HH2 ARG 81 29.218 -6.221 5.388 572 H ASN 82 H ASN 82 20.156 -7.309 2.475 573 HA ASN 82 HA ASN 82 18.202 -8.207 3.289 574 HB2 ASN 82 1HB ASN 82 20.237 -9.772 3.879 575 HB3 ASN 82 2HB ASN 82 19.828 -9.334 5.535 576 HD21 ASN 82 1HD2 ASN 82 17.646 -9.765 6.256 577 HD22 ASN 82 2HD2 ASN 82 16.785 -11.107 5.590 578 H LEU 83 H LEU 83 18.897 -5.554 4.392 579 HA LEU 83 HA LEU 83 18.258 -5.481 7.153 580 HB2 LEU 83 1HB LEU 83 18.003 -3.323 5.064 581 HB3 LEU 83 2HB LEU 83 17.944 -3.075 6.808 582 HG LEU 83 HG LEU 83 20.359 -4.201 5.407 583 HD11 LEU 83 1HD1 LEU 83 21.253 -1.835 5.755 584 HD12 LEU 83 2HD1 LEU 83 19.564 -1.348 5.887 585 HD13 LEU 83 3HD1 LEU 83 20.151 -2.099 4.404 586 HD21 LEU 83 3HD2 LEU 83 19.720 -4.168 8.046 587 HD22 LEU 83 1HD2 LEU 83 20.593 -2.644 7.884 588 HD23 LEU 83 2HD2 LEU 83 21.367 -4.157 7.413 589 H GLN 84 H GLN 84 16.359 -5.608 8.155 590 HA GLN 84 HA GLN 84 13.945 -5.882 6.572 591 HB2 GLN 84 1HB GLN 84 14.704 -7.279 8.664 592 HB3 GLN 84 2HB GLN 84 13.966 -5.960 9.562 593 HG2 GLN 84 1HG GLN 84 11.966 -6.440 7.895 594 HG3 GLN 84 2HG GLN 84 12.715 -8.036 7.861 595 HE21 GLN 84 1HE2 GLN 84 11.276 -5.601 9.932 596 HE22 GLN 84 2HE2 GLN 84 10.841 -6.676 11.213 597 H SER 85 H SER 85 12.558 -4.292 6.196 598 HA SER 85 HA SER 85 12.037 -2.246 8.162 599 HB2 SER 85 1HB SER 85 13.547 -1.665 5.635 600 HB3 SER 85 2HB SER 85 12.466 -0.446 6.312 601 HG SER 85 HG SER 85 14.585 -1.713 7.715 602 H GLN 86 H GLN 86 9.919 -1.937 8.141 603 HA GLN 86 HA GLN 86 8.490 -2.065 5.574 604 HB2 GLN 86 1HB GLN 86 6.677 -3.295 6.582 605 HB3 GLN 86 2HB GLN 86 8.176 -4.175 6.846 606 HG2 GLN 86 1HG GLN 86 8.152 -2.813 9.111 607 HG3 GLN 86 2HG GLN 86 6.419 -2.785 8.787 608 HE21 GLN 86 1HE2 GLN 86 5.319 -4.396 9.623 609 HE22 GLN 86 2HE2 GLN 86 5.930 -5.968 9.997 610 H SER 87 H SER 87 6.505 -0.871 5.498 611 HA SER 87 HA SER 87 6.164 1.109 7.642 612 HB2 SER 87 1HB SER 87 5.845 2.882 5.941 613 HB3 SER 87 2HB SER 87 7.472 2.203 5.895 614 HG SER 87 HG SER 87 6.789 2.268 3.807 615 H SER 88 H SER 88 4.102 1.475 8.201 616 HA SER 88 HA SER 88 2.022 0.104 6.657 617 HB2 SER 88 1HB SER 88 0.651 0.570 8.784 618 HB3 SER 88 2HB SER 88 1.957 -0.608 8.906 619 HG SER 88 HG SER 88 3.245 0.984 9.853 620 H VAL 89 H VAL 89 0.168 1.134 5.958 621 HA VAL 89 HA VAL 89 0.086 4.061 6.253 622 HB VAL 89 HB VAL 89 0.978 3.689 4.058 623 HG11 VAL 89 1HG1 VAL 89 -0.291 1.295 4.105 624 HG12 VAL 89 2HG1 VAL 89 -1.321 2.200 2.994 625 HG13 VAL 89 3HG1 VAL 89 0.402 2.026 2.658 626 HG21 VAL 89 3HG2 VAL 89 -1.925 4.192 3.518 627 HG22 VAL 89 1HG2 VAL 89 -0.975 5.332 4.472 628 HG23 VAL 89 2HG2 VAL 89 -0.508 4.968 2.811 629 H ASN 90 H ASN 90 -1.914 4.960 6.492 630 HA ASN 90 HA ASN 90 -4.098 3.104 7.003 631 HB2 ASN 90 1HB ASN 90 -3.723 6.045 7.575 632 HB3 ASN 90 2HB ASN 90 -5.238 5.199 7.876 633 HD21 ASN 90 1HD2 ASN 90 -3.046 6.475 9.578 634 HD22 ASN 90 2HD2 ASN 90 -2.736 5.286 10.792 635 H VAL 91 H VAL 91 -5.617 2.696 5.549 636 HA VAL 91 HA VAL 91 -6.114 4.689 3.434 637 HB VAL 91 HB VAL 91 -6.299 1.679 3.263 638 HG11 VAL 91 1HG1 VAL 91 -8.111 2.870 2.033 639 HG12 VAL 91 2HG1 VAL 91 -6.865 3.692 1.092 640 HG13 VAL 91 3HG1 VAL 91 -7.030 1.938 0.998 641 HG21 VAL 91 3HG2 VAL 91 -4.085 3.238 3.018 642 HG22 VAL 91 1HG2 VAL 91 -4.311 1.684 2.214 643 HG23 VAL 91 2HG2 VAL 91 -4.656 3.182 1.350 644 H ILE 92 H ILE 92 -7.925 5.726 4.016 645 HA ILE 92 HA ILE 92 -10.151 4.203 5.158 646 HB ILE 92 HB ILE 92 -9.653 7.171 4.953 647 HG12 ILE 92 1HG1 ILE 92 -10.169 5.702 7.499 648 HG13 ILE 92 2HG1 ILE 92 -8.594 5.512 6.737 649 HG21 ILE 92 1HG2 ILE 92 -11.763 7.284 6.396 650 HG22 ILE 92 2HG2 ILE 92 -11.967 7.014 4.667 651 HG23 ILE 92 3HG2 ILE 92 -12.106 5.663 5.792 652 HD11 ILE 92 3HD1 ILE 92 -9.154 7.422 8.516 653 HD12 ILE 92 1HD1 ILE 92 -7.953 7.611 7.238 654 HD13 ILE 92 2HD1 ILE 92 -9.574 8.275 7.030 655 H VAL 93 H VAL 93 -12.209 4.197 4.259 656 HA VAL 93 HA VAL 93 -12.364 5.126 1.464 657 HB VAL 93 HB VAL 93 -13.668 2.692 2.691 658 HG11 VAL 93 1HG1 VAL 93 -13.827 2.784 -0.160 659 HG12 VAL 93 2HG1 VAL 93 -15.133 2.700 1.023 660 HG13 VAL 93 3HG1 VAL 93 -14.508 4.267 0.508 661 HG21 VAL 93 3HG2 VAL 93 -11.109 2.886 1.877 662 HG22 VAL 93 1HG2 VAL 93 -12.065 1.410 1.746 663 HG23 VAL 93 2HG2 VAL 93 -11.886 2.471 0.349 664 H LYS 94 H LYS 94 -14.096 6.311 0.861 665 HA LYS 94 HA LYS 94 -16.210 6.740 2.869 666 HB2 LYS 94 1HB LYS 94 -14.824 8.720 1.071 667 HB3 LYS 94 2HB LYS 94 -16.383 9.065 1.808 668 HG2 LYS 94 1HG LYS 94 -13.781 8.524 3.218 669 HG3 LYS 94 2HG LYS 94 -14.673 10.046 3.153 670 HD2 LYS 94 1HD LYS 94 -16.593 8.578 4.200 671 HD3 LYS 94 2HD LYS 94 -15.239 7.571 4.715 672 HE2 LYS 94 1HE LYS 94 -14.214 9.508 5.801 673 HE3 LYS 94 2HE LYS 94 -15.560 10.518 5.277 674 HZ1 LYS 94 3HZ LYS 94 -15.607 8.299 7.236 675 HZ2 LYS 94 1HZ LYS 94 -17.019 8.932 6.552 676 HZ3 LYS 94 2HZ LYS 94 -16.015 9.922 7.486 677 H GLU 95 H GLU 95 -18.149 7.929 1.704 678 HA GLU 95 HA GLU 95 -18.916 6.164 -0.493 679 HB2 GLU 95 1HB GLU 95 -20.391 7.799 1.517 680 HB3 GLU 95 2HB GLU 95 -21.181 7.468 -0.018 681 HG2 GLU 95 1HG GLU 95 -19.964 5.190 1.440 682 HG3 GLU 95 2HG GLU 95 -21.458 5.882 2.071 683 H GLU 96 H GLU 96 -19.750 6.919 -2.456 684 HA GLU 96 HA GLU 96 -18.461 8.899 -3.777 685 HB2 GLU 96 1HB GLU 96 -19.981 8.645 -5.497 686 HB3 GLU 96 2HB GLU 96 -20.243 7.162 -4.589 687 HG2 GLU 96 1HG GLU 96 -22.218 8.041 -3.583 688 HG3 GLU 96 2HG GLU 96 -21.907 9.643 -4.250 689 H SER 97 H SER 97 -19.013 11.043 -4.466 690 HA SER 97 HA SER 97 -21.096 12.521 -3.185 691 HB2 SER 97 1HB SER 97 -19.301 12.258 -1.380 692 HB3 SER 97 2HB SER 97 -18.298 13.314 -2.376 693 HG SER 97 HG SER 97 -19.944 14.128 -0.617 694 H GLY 98 H GLY 98 -21.054 14.827 -3.796 695 HA2 GLY 98 1HA GLY 98 -19.195 15.744 -5.769 696 HA3 GLY 98 2HA GLY 98 -20.715 15.239 -6.492 697 HA PRO 99 HA PRO 99 -20.829 19.667 -4.706 698 HB2 PRO 99 1HB PRO 99 -20.513 21.062 -7.014 699 HB3 PRO 99 2HB PRO 99 -19.157 20.597 -5.979 700 HG2 PRO 99 1HG PRO 99 -20.161 19.298 -8.482 701 HG3 PRO 99 2HG PRO 99 -18.491 19.622 -7.982 702 HD2 PRO 99 1HD PRO 99 -19.638 17.181 -7.739 703 HD3 PRO 99 2HD PRO 99 -18.416 17.779 -6.599 704 H SER 100 H SER 100 -22.301 17.774 -7.129 705 HA SER 100 HA SER 100 -24.342 19.520 -7.995 706 HB2 SER 100 1HB SER 100 -23.721 17.392 -9.137 707 HB3 SER 100 2HB SER 100 -24.456 16.500 -7.805 708 HG SER 100 HG SER 100 -25.779 18.333 -9.525 709 H SER 101 H SER 101 -26.270 20.065 -7.151 710 HA SER 101 HA SER 101 -27.882 20.404 -5.579 711 HB2 SER 101 1HB SER 101 -27.475 17.430 -5.192 712 HB3 SER 101 2HB SER 101 -28.825 18.349 -4.525 713 HG SER 101 HG SER 101 -28.776 17.223 -6.837 714 H GLY 102 H GLY 102 -25.325 21.087 -4.739 715 HA2 GLY 102 1HA GLY 102 -25.518 20.480 -1.857 716 HA3 GLY 102 2HA GLY 102 -23.966 20.464 -2.682 Start of MODEL 15 1 H1 GLY 1 H GLY 1 22.435 0.821 20.135 2 HA2 GLY 1 1HA GLY 1 22.983 2.653 18.803 3 HA3 GLY 1 2HA GLY 1 21.614 2.277 17.767 4 H SER 2 H SER 2 22.715 4.710 19.401 5 HA SER 2 HA SER 2 20.358 5.381 20.966 6 HB2 SER 2 1HB SER 2 21.617 7.418 21.571 7 HB3 SER 2 2HB SER 2 22.559 5.958 21.873 8 HG SER 2 HG SER 2 22.856 7.876 19.831 9 H SER 3 H SER 3 21.187 5.526 17.780 10 HA SER 3 HA SER 3 19.058 7.368 17.181 11 HB2 SER 3 1HB SER 3 20.311 9.020 16.014 12 HB3 SER 3 2HB SER 3 21.124 8.811 17.565 13 HG SER 3 HG SER 3 22.580 8.830 15.777 14 H GLY 4 H GLY 4 19.017 7.712 14.664 15 HA2 GLY 4 1HA GLY 4 19.715 6.663 12.542 16 HA3 GLY 4 2HA GLY 4 19.733 5.134 13.407 17 H SER 5 H SER 5 17.757 7.547 11.876 18 HA SER 5 HA SER 5 15.209 6.811 12.600 19 HB2 SER 5 1HB SER 5 15.702 8.721 11.130 20 HB3 SER 5 2HB SER 5 16.143 7.612 9.832 21 HG SER 5 HG SER 5 14.096 7.222 9.457 22 H SER 6 H SER 6 14.872 4.644 12.911 23 HA SER 6 HA SER 6 15.543 2.691 10.918 24 HB2 SER 6 1HB SER 6 14.672 1.076 12.423 25 HB3 SER 6 2HB SER 6 15.423 2.304 13.441 26 HG SER 6 HG SER 6 13.182 1.520 13.958 27 H GLY 7 H GLY 7 14.131 1.489 9.625 28 HA2 GLY 7 1HA GLY 7 11.952 0.927 8.813 29 HA3 GLY 7 2HA GLY 7 11.360 2.455 9.447 30 H GLN 8 H GLN 8 12.855 0.846 6.780 31 HA GLN 8 HA GLN 8 12.709 3.348 5.230 32 HB2 GLN 8 1HB GLN 8 14.600 1.035 4.768 33 HB3 GLN 8 2HB GLN 8 14.536 2.528 3.839 34 HG2 GLN 8 1HG GLN 8 15.272 3.802 5.735 35 HG3 GLN 8 2HG GLN 8 15.188 2.379 6.772 36 HE21 GLN 8 1HE2 GLN 8 16.902 1.066 6.901 37 HE22 GLN 8 2HE2 GLN 8 18.348 1.234 5.969 38 H ALA 9 H ALA 9 10.419 2.039 5.375 39 HA ALA 9 HA ALA 9 10.216 0.677 2.772 40 HB1 ALA 9 3HB ALA 9 8.153 -0.193 4.579 41 HB2 ALA 9 1HB ALA 9 9.326 -1.147 3.671 42 HB3 ALA 9 2HB ALA 9 9.749 -0.505 5.259 43 H ASP 10 H ASP 10 9.856 3.426 3.160 44 HA ASP 10 HA ASP 10 7.516 4.556 3.747 45 HB2 ASP 10 1HB ASP 10 8.910 4.953 1.091 46 HB3 ASP 10 2HB ASP 10 7.787 6.081 1.846 47 H ALA 11 H ALA 11 5.582 3.584 3.630 48 HA ALA 11 HA ALA 11 4.800 2.022 1.333 49 HB1 ALA 11 3HB ALA 11 2.554 2.468 2.952 50 HB2 ALA 11 1HB ALA 11 3.574 1.031 2.894 51 HB3 ALA 11 2HB ALA 11 3.927 2.317 4.049 52 H GLY 12 H GLY 12 4.097 5.205 2.664 53 HA2 GLY 12 1HA GLY 12 3.637 6.793 0.699 54 HA3 GLY 12 2HA GLY 12 2.277 5.720 0.406 55 HA PRO 13 HA PRO 13 1.311 9.192 3.531 56 HB2 PRO 13 1HB PRO 13 -0.090 10.841 1.892 57 HB3 PRO 13 2HB PRO 13 1.653 10.992 2.144 58 HG2 PRO 13 1HG PRO 13 0.170 9.701 -0.113 59 HG3 PRO 13 2HG PRO 13 1.597 10.752 -0.168 60 HD2 PRO 13 1HD PRO 13 1.764 8.058 -0.382 61 HD3 PRO 13 2HD PRO 13 3.038 9.037 0.374 62 H ASP 14 H ASP 14 -0.800 9.645 4.367 63 HA ASP 14 HA ASP 14 -2.570 7.638 4.563 64 HB2 ASP 14 1HB ASP 14 -4.136 9.144 5.440 65 HB3 ASP 14 2HB ASP 14 -2.597 9.962 5.691 66 H LYS 15 H LYS 15 -4.247 6.750 3.462 67 HA LYS 15 HA LYS 15 -4.668 7.726 0.718 68 HB2 LYS 15 1HB LYS 15 -4.784 4.994 1.953 69 HB3 LYS 15 2HB LYS 15 -5.657 5.329 0.463 70 HG2 LYS 15 1HG LYS 15 -2.788 6.082 0.605 71 HG3 LYS 15 2HG LYS 15 -3.204 4.373 0.448 72 HD2 LYS 15 1HD LYS 15 -4.101 4.643 -1.644 73 HD3 LYS 15 2HD LYS 15 -4.544 6.327 -1.354 74 HE2 LYS 15 1HE LYS 15 -2.112 6.893 -1.406 75 HE3 LYS 15 2HE LYS 15 -1.787 5.229 -1.888 76 HZ1 LYS 15 3HZ LYS 15 -2.157 5.831 -3.971 77 HZ2 LYS 15 1HZ LYS 15 -2.566 7.403 -3.496 78 HZ3 LYS 15 2HZ LYS 15 -3.761 6.209 -3.584 79 H GLU 16 H GLU 16 -6.566 8.598 0.223 80 HA GLU 16 HA GLU 16 -8.916 7.874 1.842 81 HB2 GLU 16 1HB GLU 16 -7.768 10.238 2.186 82 HB3 GLU 16 2HB GLU 16 -8.682 10.636 0.738 83 HG2 GLU 16 1HG GLU 16 -10.689 9.633 2.034 84 HG3 GLU 16 2HG GLU 16 -9.673 9.891 3.451 85 H LEU 17 H LEU 17 -10.035 6.645 0.441 86 HA LEU 17 HA LEU 17 -10.392 7.620 -2.307 87 HB2 LEU 17 1HB LEU 17 -11.142 4.905 -1.257 88 HB3 LEU 17 2HB LEU 17 -10.948 5.406 -2.936 89 HG LEU 17 HG LEU 17 -8.597 5.452 -1.087 90 HD11 LEU 17 1HD1 LEU 17 -8.141 3.198 -1.334 91 HD12 LEU 17 2HD1 LEU 17 -9.263 3.011 -2.681 92 HD13 LEU 17 3HD1 LEU 17 -9.881 3.205 -1.041 93 HD21 LEU 17 3HD2 LEU 17 -8.380 4.549 -3.871 94 HD22 LEU 17 1HD2 LEU 17 -7.398 5.703 -2.968 95 HD23 LEU 17 2HD2 LEU 17 -8.932 6.213 -3.672 96 H THR 18 H THR 18 -12.481 7.648 -3.251 97 HA THR 18 HA THR 18 -14.738 7.516 -1.378 98 HB THR 18 HB THR 18 -14.389 9.777 -3.351 99 HG1 THR 18 1HG THR 18 -13.543 9.470 -0.711 100 HG21 THR 18 3HG2 THR 18 -16.693 9.416 -2.900 101 HG22 THR 18 1HG2 THR 18 -16.202 10.784 -1.902 102 HG23 THR 18 2HG2 THR 18 -16.391 9.187 -1.178 103 H LEU 19 H LEU 19 -16.199 6.159 -2.161 104 HA LEU 19 HA LEU 19 -16.235 4.836 -4.509 105 HB2 LEU 19 1HB LEU 19 -18.441 5.731 -2.713 106 HB3 LEU 19 2HB LEU 19 -18.842 4.930 -4.231 107 HG LEU 19 HG LEU 19 -18.782 3.463 -2.182 108 HD11 LEU 19 1HD1 LEU 19 -17.458 1.665 -3.357 109 HD12 LEU 19 2HD1 LEU 19 -17.072 2.872 -4.583 110 HD13 LEU 19 3HD1 LEU 19 -18.751 2.412 -4.297 111 HD21 LEU 19 3HD2 LEU 19 -16.863 4.370 -1.058 112 HD22 LEU 19 1HD2 LEU 19 -15.828 4.005 -2.439 113 HD23 LEU 19 2HD2 LEU 19 -16.525 2.693 -1.489 114 HA PRO 20 HA PRO 20 -18.118 4.018 -5.843 115 HB2 PRO 20 1HB PRO 20 -17.709 3.501 -8.476 116 HB3 PRO 20 2HB PRO 20 -19.235 4.133 -7.847 117 HG2 PRO 20 1HG PRO 20 -16.980 5.593 -9.169 118 HG3 PRO 20 2HG PRO 20 -18.727 5.779 -9.410 119 HD2 PRO 20 1HD PRO 20 -17.280 7.477 -7.875 120 HD3 PRO 20 2HD PRO 20 -18.976 7.084 -7.526 121 H VAL 21 H VAL 21 -15.354 5.819 -6.590 122 HA VAL 21 HA VAL 21 -13.492 4.067 -7.562 123 HB VAL 21 HB VAL 21 -13.047 6.068 -5.341 124 HG11 VAL 21 1HG1 VAL 21 -11.156 4.568 -7.129 125 HG12 VAL 21 2HG1 VAL 21 -10.706 6.086 -6.350 126 HG13 VAL 21 3HG1 VAL 21 -11.148 4.688 -5.370 127 HG21 VAL 21 3HG2 VAL 21 -14.046 7.086 -7.315 128 HG22 VAL 21 1HG2 VAL 21 -12.362 7.582 -7.146 129 HG23 VAL 21 2HG2 VAL 21 -12.806 6.358 -8.336 130 H ASP 22 H ASP 22 -13.800 1.952 -6.890 131 HA ASP 22 HA ASP 22 -13.333 1.387 -4.042 132 HB2 ASP 22 1HB ASP 22 -14.172 -0.941 -4.713 133 HB3 ASP 22 2HB ASP 22 -15.355 0.363 -4.687 134 H SER 23 H SER 23 -11.150 2.120 -5.651 135 HA SER 23 HA SER 23 -9.464 -0.183 -5.263 136 HB2 SER 23 1HB SER 23 -8.614 -0.261 -7.572 137 HB3 SER 23 2HB SER 23 -10.336 -0.638 -7.516 138 HG SER 23 HG SER 23 -9.494 2.007 -7.953 139 H THR 24 H THR 24 -7.292 0.342 -5.095 140 HA THR 24 HA THR 24 -6.477 3.095 -5.630 141 HB THR 24 HB THR 24 -7.318 2.956 -3.246 142 HG1 THR 24 1HG THR 24 -5.563 4.402 -4.149 143 HG21 THR 24 3HG2 THR 24 -5.751 1.933 -1.613 144 HG22 THR 24 1HG2 THR 24 -4.863 1.220 -2.960 145 HG23 THR 24 2HG2 THR 24 -6.535 0.747 -2.656 146 H THR 25 H THR 25 -4.069 3.358 -5.134 147 HA THR 25 HA THR 25 -2.631 0.854 -5.716 148 HB THR 25 HB THR 25 -1.062 2.206 -7.131 149 HG1 THR 25 1HG THR 25 -1.395 4.298 -6.731 150 HG21 THR 25 3HG2 THR 25 -2.891 0.802 -8.077 151 HG22 THR 25 1HG2 THR 25 -2.455 2.174 -9.096 152 HG23 THR 25 2HG2 THR 25 -3.918 2.235 -8.111 153 H LEU 26 H LEU 26 -0.949 0.448 -4.427 154 HA LEU 26 HA LEU 26 0.062 2.645 -2.744 155 HB2 LEU 26 1HB LEU 26 0.039 -0.300 -2.106 156 HB3 LEU 26 2HB LEU 26 0.562 1.003 -1.041 157 HG LEU 26 HG LEU 26 -2.253 0.961 -2.040 158 HD11 LEU 26 1HD1 LEU 26 -1.579 -0.435 0.502 159 HD12 LEU 26 2HD1 LEU 26 -1.433 -1.312 -1.021 160 HD13 LEU 26 3HD1 LEU 26 -2.983 -0.616 -0.550 161 HD21 LEU 26 3HD2 LEU 26 -2.698 2.183 -0.064 162 HD22 LEU 26 1HD2 LEU 26 -1.224 2.870 -0.745 163 HD23 LEU 26 2HD2 LEU 26 -1.130 1.772 0.632 164 H ASP 27 H ASP 27 1.718 3.255 -4.139 165 HA ASP 27 HA ASP 27 3.737 1.235 -4.799 166 HB2 ASP 27 1HB ASP 27 4.436 2.595 -6.537 167 HB3 ASP 27 2HB ASP 27 2.719 2.981 -6.471 168 H GLY 28 H GLY 28 5.702 1.190 -3.875 169 HA2 GLY 28 1HA GLY 28 6.277 3.277 -1.871 170 HA3 GLY 28 2HA GLY 28 6.865 1.622 -1.799 171 H SER 29 H SER 29 6.897 3.501 -4.747 172 HA SER 29 HA SER 29 9.624 3.010 -5.230 173 HB2 SER 29 1HB SER 29 8.027 3.480 -7.035 174 HB3 SER 29 2HB SER 29 7.826 5.127 -6.439 175 HG SER 29 HG SER 29 9.324 5.058 -8.144 176 H LYS 30 H LYS 30 7.954 5.623 -3.629 177 HA LYS 30 HA LYS 30 10.279 7.337 -3.551 178 HB2 LYS 30 1HB LYS 30 7.551 7.518 -2.272 179 HB3 LYS 30 2HB LYS 30 8.812 8.718 -2.018 180 HG2 LYS 30 1HG LYS 30 7.399 9.571 -3.701 181 HG3 LYS 30 2HG LYS 30 8.868 9.026 -4.515 182 HD2 LYS 30 1HD LYS 30 7.782 7.021 -5.261 183 HD3 LYS 30 2HD LYS 30 6.351 7.379 -4.291 184 HE2 LYS 30 1HE LYS 30 5.663 8.082 -6.367 185 HE3 LYS 30 2HE LYS 30 6.314 9.580 -5.704 186 HZ1 LYS 30 3HZ LYS 30 8.487 8.564 -6.847 187 HZ2 LYS 30 1HZ LYS 30 7.418 9.603 -7.647 188 HZ3 LYS 30 2HZ LYS 30 7.305 7.932 -7.879 189 H SER 31 H SER 31 11.059 4.974 -2.527 190 HA SER 31 HA SER 31 10.751 4.838 0.318 191 HB2 SER 31 1HB SER 31 11.281 2.907 -1.311 192 HB3 SER 31 2HB SER 31 12.946 3.483 -1.238 193 HG SER 31 HG SER 31 13.079 2.902 0.835 194 H SER 32 H SER 32 12.824 4.699 1.693 195 HA SER 32 HA SER 32 13.879 7.090 2.229 196 HB2 SER 32 1HB SER 32 15.282 4.419 2.339 197 HB3 SER 32 2HB SER 32 15.984 5.890 3.012 198 HG SER 32 HG SER 32 13.828 6.017 4.147 199 H ASP 33 H ASP 33 15.694 8.331 1.679 200 HA ASP 33 HA ASP 33 16.217 8.938 -0.867 201 HB2 ASP 33 1HB ASP 33 17.192 10.169 1.010 202 HB3 ASP 33 2HB ASP 33 18.310 8.843 1.315 203 H ASP 34 H ASP 34 18.068 6.488 0.933 204 HA ASP 34 HA ASP 34 19.846 5.698 -1.001 205 HB2 ASP 34 1HB ASP 34 18.454 3.665 0.725 206 HB3 ASP 34 2HB ASP 34 20.136 3.700 0.204 207 H GLN 35 H GLN 35 19.869 4.140 -2.636 208 HA GLN 35 HA GLN 35 17.220 3.252 -3.570 209 HB2 GLN 35 1HB GLN 35 18.274 5.169 -4.883 210 HB3 GLN 35 2HB GLN 35 19.486 4.008 -5.408 211 HG2 GLN 35 1HG GLN 35 17.899 2.722 -6.577 212 HG3 GLN 35 2HG GLN 35 16.548 3.552 -5.805 213 HE21 GLN 35 1HE2 GLN 35 15.588 4.217 -7.682 214 HE22 GLN 35 2HE2 GLN 35 16.279 5.402 -8.732 215 H LYS 36 H LYS 36 18.680 1.624 -1.960 216 HA LYS 36 HA LYS 36 19.899 -0.325 -3.801 217 HB2 LYS 36 1HB LYS 36 20.300 0.043 -0.827 218 HB3 LYS 36 2HB LYS 36 21.003 -1.262 -1.774 219 HG2 LYS 36 1HG LYS 36 21.504 1.644 -2.357 220 HG3 LYS 36 2HG LYS 36 22.520 0.678 -1.285 221 HD2 LYS 36 1HD LYS 36 23.151 -0.776 -3.054 222 HD3 LYS 36 2HD LYS 36 21.921 -0.110 -4.130 223 HE2 LYS 36 1HE LYS 36 23.886 0.892 -4.869 224 HE3 LYS 36 2HE LYS 36 23.169 2.120 -3.827 225 HZ1 LYS 36 3HZ LYS 36 25.702 1.061 -3.634 226 HZ2 LYS 36 1HZ LYS 36 24.850 0.382 -2.340 227 HZ3 LYS 36 2HZ LYS 36 24.934 2.063 -2.508 228 H ILE 37 H ILE 37 17.025 0.063 -3.214 229 HA ILE 37 HA ILE 37 16.269 -2.227 -1.615 230 HB ILE 37 HB ILE 37 14.511 -0.453 -3.311 231 HG12 ILE 37 1HG1 ILE 37 13.951 0.439 -0.911 232 HG13 ILE 37 2HG1 ILE 37 15.541 -0.198 -0.507 233 HG21 ILE 37 1HG2 ILE 37 13.170 -2.251 -2.889 234 HG22 ILE 37 2HG2 ILE 37 14.007 -2.665 -1.394 235 HG23 ILE 37 3HG2 ILE 37 12.875 -1.313 -1.425 236 HD11 ILE 37 3HD1 ILE 37 16.635 1.340 -1.813 237 HD12 ILE 37 1HD1 ILE 37 15.237 1.611 -2.854 238 HD13 ILE 37 2HD1 ILE 37 15.266 2.281 -1.222 239 H ILE 38 H ILE 38 15.888 -4.216 -2.343 240 HA ILE 38 HA ILE 38 15.398 -4.604 -5.217 241 HB ILE 38 HB ILE 38 16.766 -6.681 -5.123 242 HG12 ILE 38 1HG1 ILE 38 17.938 -5.585 -2.573 243 HG13 ILE 38 2HG1 ILE 38 16.626 -6.758 -2.555 244 HG21 ILE 38 1HG2 ILE 38 18.625 -5.576 -5.791 245 HG22 ILE 38 2HG2 ILE 38 17.550 -4.184 -5.674 246 HG23 ILE 38 3HG2 ILE 38 18.664 -4.549 -4.357 247 HD11 ILE 38 3HD1 ILE 38 17.966 -8.459 -3.146 248 HD12 ILE 38 1HD1 ILE 38 18.940 -7.462 -4.226 249 HD13 ILE 38 2HD1 ILE 38 19.224 -7.414 -2.486 250 H SER 39 H SER 39 13.758 -4.625 -2.662 251 HA SER 39 HA SER 39 12.286 -7.048 -3.298 252 HB2 SER 39 1HB SER 39 13.809 -7.803 -1.534 253 HB3 SER 39 2HB SER 39 13.282 -6.478 -0.496 254 HG SER 39 HG SER 39 11.310 -7.418 -0.285 255 H TYR 40 H TYR 40 10.108 -6.924 -2.823 256 HA TYR 40 HA TYR 40 9.096 -4.646 -1.326 257 HB2 TYR 40 1HB TYR 40 8.575 -5.059 -4.269 258 HB3 TYR 40 2HB TYR 40 7.519 -4.090 -3.247 259 HD1 TYR 40 1HD TYR 40 8.381 -2.005 -2.208 260 HD2 TYR 40 2HD TYR 40 10.673 -4.218 -5.028 261 HE1 TYR 40 1HE TYR 40 9.835 -0.050 -2.551 262 HE2 TYR 40 2HE TYR 40 12.134 -2.270 -5.378 263 HH TYR 40 HH TYR 40 11.924 0.569 -3.374 264 H LEU 41 H LEU 41 7.289 -5.145 -0.239 265 HA LEU 41 HA LEU 41 5.631 -7.378 -1.151 266 HB2 LEU 41 1HB LEU 41 7.190 -8.363 0.413 267 HB3 LEU 41 2HB LEU 41 6.820 -7.121 1.607 268 HG LEU 41 HG LEU 41 4.463 -8.032 1.643 269 HD11 LEU 41 1HD1 LEU 41 4.361 -9.244 -0.391 270 HD12 LEU 41 2HD1 LEU 41 4.296 -10.431 0.911 271 HD13 LEU 41 3HD1 LEU 41 5.796 -10.184 0.018 272 HD21 LEU 41 3HD2 LEU 41 5.426 -10.263 2.790 273 HD22 LEU 41 1HD2 LEU 41 5.499 -8.671 3.544 274 HD23 LEU 41 2HD2 LEU 41 6.906 -9.309 2.693 275 H TRP 42 H TRP 42 3.481 -7.225 -0.605 276 HA TRP 42 HA TRP 42 2.664 -4.941 1.051 277 HB2 TRP 42 1HB TRP 42 1.835 -5.547 -1.770 278 HB3 TRP 42 2HB TRP 42 0.736 -4.699 -0.685 279 HD1 TRP 42 HD TRP 42 3.748 -4.165 -2.864 280 HE1 TRP 42 1HE TRP 42 4.466 -1.695 -2.758 281 HE3 TRP 42 3HE TRP 42 0.825 -2.637 1.042 282 HZ2 TRP 42 2HZ TRP 42 3.872 0.597 -1.221 283 HZ3 TRP 42 3HZ TRP 42 0.960 -0.290 1.769 284 HH2 TRP 42 HH TRP 42 2.453 1.291 0.660 285 H GLU 43 H GLU 43 1.435 -5.656 2.652 286 HA GLU 43 HA GLU 43 -0.607 -7.671 2.108 287 HB2 GLU 43 1HB GLU 43 1.573 -7.935 4.170 288 HB3 GLU 43 2HB GLU 43 0.048 -8.798 4.312 289 HG2 GLU 43 1HG GLU 43 1.654 -9.012 1.806 290 HG3 GLU 43 2HG GLU 43 2.097 -9.956 3.228 291 H LYS 44 H LYS 44 -2.432 -7.476 3.349 292 HA LYS 44 HA LYS 44 -2.745 -4.980 4.762 293 HB2 LYS 44 1HB LYS 44 -4.540 -5.695 3.317 294 HB3 LYS 44 2HB LYS 44 -4.669 -7.231 4.164 295 HG2 LYS 44 1HG LYS 44 -5.700 -6.282 6.001 296 HG3 LYS 44 2HG LYS 44 -5.087 -4.667 5.639 297 HD2 LYS 44 1HD LYS 44 -7.286 -4.455 5.001 298 HD3 LYS 44 2HD LYS 44 -6.540 -4.933 3.474 299 HE2 LYS 44 1HE LYS 44 -7.256 -7.196 3.756 300 HE3 LYS 44 2HE LYS 44 -7.799 -6.876 5.402 301 HZ1 LYS 44 3HZ LYS 44 -8.960 -5.476 3.069 302 HZ2 LYS 44 1HZ LYS 44 -9.592 -5.608 4.633 303 HZ3 LYS 44 2HZ LYS 44 -9.564 -6.959 3.615 304 H THR 45 H THR 45 -2.107 -4.806 6.804 305 HA THR 45 HA THR 45 -1.824 -7.069 8.535 306 HB THR 45 HB THR 45 -1.473 -5.137 10.278 307 HG1 THR 45 1HG THR 45 -0.817 -3.660 7.973 308 HG21 THR 45 3HG2 THR 45 0.237 -6.660 9.108 309 HG22 THR 45 1HG2 THR 45 0.817 -5.137 9.782 310 HG23 THR 45 2HG2 THR 45 0.534 -5.282 8.047 311 H GLN 46 H GLN 46 -4.140 -4.435 8.196 312 HA GLN 46 HA GLN 46 -5.961 -5.895 9.970 313 HB2 GLN 46 1HB GLN 46 -4.959 -3.119 10.310 314 HB3 GLN 46 2HB GLN 46 -6.664 -3.399 10.637 315 HG2 GLN 46 1HG GLN 46 -6.190 -4.925 12.362 316 HG3 GLN 46 2HG GLN 46 -4.499 -5.061 11.882 317 HE21 GLN 46 1HE2 GLN 46 -6.873 -3.132 13.517 318 HE22 GLN 46 2HE2 GLN 46 -5.766 -2.053 14.288 319 H GLY 47 H GLY 47 -8.238 -4.939 9.811 320 HA2 GLY 47 1HA GLY 47 -9.769 -3.638 8.416 321 HA3 GLY 47 2HA GLY 47 -8.736 -4.023 7.047 322 HA PRO 48 HA PRO 48 -12.327 -7.084 7.539 323 HB2 PRO 48 1HB PRO 48 -13.777 -6.293 5.385 324 HB3 PRO 48 2HB PRO 48 -14.015 -5.621 7.002 325 HG2 PRO 48 1HG PRO 48 -12.481 -4.496 4.690 326 HG3 PRO 48 2HG PRO 48 -13.578 -3.671 5.812 327 HD2 PRO 48 1HD PRO 48 -10.884 -3.548 6.053 328 HD3 PRO 48 2HD PRO 48 -11.971 -3.501 7.456 329 H ASP 49 H ASP 49 -11.420 -8.923 6.845 330 HA ASP 49 HA ASP 49 -9.780 -9.214 4.598 331 HB2 ASP 49 1HB ASP 49 -9.580 -10.892 6.228 332 HB3 ASP 49 2HB ASP 49 -11.318 -11.170 6.286 333 H GLY 50 H GLY 50 -10.234 -9.212 2.502 334 HA2 GLY 50 1HA GLY 50 -12.169 -10.672 1.200 335 HA3 GLY 50 2HA GLY 50 -12.930 -9.129 1.558 336 H VAL 51 H VAL 51 -10.899 -7.348 1.183 337 HA VAL 51 HA VAL 51 -10.928 -6.807 -1.499 338 HB VAL 51 HB VAL 51 -9.204 -5.223 -1.160 339 HG11 VAL 51 1HG1 VAL 51 -10.024 -3.987 0.629 340 HG12 VAL 51 2HG1 VAL 51 -11.373 -5.052 0.230 341 HG13 VAL 51 3HG1 VAL 51 -10.333 -5.421 1.606 342 HG21 VAL 51 3HG2 VAL 51 -7.633 -5.284 0.691 343 HG22 VAL 51 1HG2 VAL 51 -8.386 -6.756 1.306 344 HG23 VAL 51 2HG2 VAL 51 -7.535 -6.779 -0.239 345 H GLN 52 H GLN 52 -9.064 -6.751 -3.039 346 HA GLN 52 HA GLN 52 -7.443 -9.202 -2.832 347 HB2 GLN 52 1HB GLN 52 -9.163 -8.207 -5.045 348 HB3 GLN 52 2HB GLN 52 -7.647 -8.982 -5.486 349 HG2 GLN 52 1HG GLN 52 -8.336 -10.939 -4.100 350 HG3 GLN 52 2HG GLN 52 -9.908 -10.167 -3.898 351 HE21 GLN 52 1HE2 GLN 52 -11.356 -10.184 -5.556 352 HE22 GLN 52 2HE2 GLN 52 -11.115 -11.059 -7.026 353 H LEU 53 H LEU 53 -5.327 -8.871 -2.943 354 HA LEU 53 HA LEU 53 -4.359 -6.266 -3.868 355 HB2 LEU 53 1HB LEU 53 -3.381 -8.322 -1.972 356 HB3 LEU 53 2HB LEU 53 -2.165 -7.393 -2.846 357 HG LEU 53 HG LEU 53 -4.327 -5.910 -1.435 358 HD11 LEU 53 1HD1 LEU 53 -3.340 -7.778 0.060 359 HD12 LEU 53 2HD1 LEU 53 -3.422 -6.130 0.681 360 HD13 LEU 53 3HD1 LEU 53 -1.894 -6.769 0.075 361 HD21 LEU 53 3HD2 LEU 53 -2.499 -4.897 -2.884 362 HD22 LEU 53 1HD2 LEU 53 -1.380 -5.344 -1.597 363 HD23 LEU 53 2HD2 LEU 53 -2.699 -4.220 -1.267 364 H GLU 54 H GLU 54 -3.199 -6.033 -5.677 365 HA GLU 54 HA GLU 54 -2.298 -8.478 -7.054 366 HB2 GLU 54 1HB GLU 54 -3.639 -6.010 -8.054 367 HB3 GLU 54 2HB GLU 54 -2.469 -6.796 -9.104 368 HG2 GLU 54 1HG GLU 54 -3.772 -8.632 -9.425 369 HG3 GLU 54 2HG GLU 54 -4.557 -8.488 -7.854 370 H ASN 55 H ASN 55 -0.250 -8.554 -7.860 371 HA ASN 55 HA ASN 55 1.957 -8.056 -8.090 372 HB2 ASN 55 1HB ASN 55 0.605 -5.453 -8.599 373 HB3 ASN 55 2HB ASN 55 2.347 -5.422 -8.337 374 HD21 ASN 55 1HD2 ASN 55 -0.010 -5.675 -10.613 375 HD22 ASN 55 2HD2 ASN 55 0.894 -6.422 -11.881 376 H ALA 56 H ALA 56 0.873 -8.298 -5.455 377 HA ALA 56 HA ALA 56 1.754 -6.305 -3.687 378 HB1 ALA 56 3HB ALA 56 1.398 -7.866 -1.949 379 HB2 ALA 56 1HB ALA 56 0.193 -8.228 -3.185 380 HB3 ALA 56 2HB ALA 56 1.631 -9.238 -3.032 381 H ASN 57 H ASN 57 3.454 -8.847 -5.336 382 HA ASN 57 HA ASN 57 5.808 -8.619 -3.658 383 HB2 ASN 57 1HB ASN 57 5.554 -10.124 -6.265 384 HB3 ASN 57 2HB ASN 57 6.738 -10.380 -4.986 385 HD21 ASN 57 1HD2 ASN 57 6.256 -11.699 -3.328 386 HD22 ASN 57 2HD2 ASN 57 4.753 -12.530 -3.146 387 H SER 58 H SER 58 4.686 -6.401 -5.441 388 HA SER 58 HA SER 58 7.252 -5.737 -6.718 389 HB2 SER 58 1HB SER 58 4.517 -5.725 -7.896 390 HB3 SER 58 2HB SER 58 5.601 -4.409 -8.348 391 HG SER 58 HG SER 58 5.560 -6.856 -9.313 392 H SER 59 H SER 59 7.866 -3.578 -6.653 393 HA SER 59 HA SER 59 7.420 -2.091 -4.446 394 HB2 SER 59 1HB SER 59 8.142 -0.099 -5.737 395 HB3 SER 59 2HB SER 59 9.144 -1.512 -6.069 396 HG SER 59 HG SER 59 7.387 -1.738 -7.859 397 H VAL 60 H VAL 60 5.347 -2.284 -7.248 398 HA VAL 60 HA VAL 60 3.504 -0.352 -6.000 399 HB VAL 60 HB VAL 60 3.648 -1.206 -8.895 400 HG11 VAL 60 1HG1 VAL 60 1.797 0.616 -7.394 401 HG12 VAL 60 2HG1 VAL 60 2.077 0.811 -9.126 402 HG13 VAL 60 3HG1 VAL 60 1.403 -0.696 -8.505 403 HG21 VAL 60 3HG2 VAL 60 5.214 0.648 -7.491 404 HG22 VAL 60 1HG2 VAL 60 5.097 0.444 -9.239 405 HG23 VAL 60 2HG2 VAL 60 4.050 1.599 -8.414 406 H ALA 61 H ALA 61 1.575 -1.040 -5.317 407 HA ALA 61 HA ALA 61 0.623 -3.675 -6.228 408 HB1 ALA 61 3HB ALA 61 -0.233 -4.075 -3.939 409 HB2 ALA 61 1HB ALA 61 1.526 -3.970 -4.016 410 HB3 ALA 61 2HB ALA 61 0.586 -2.606 -3.409 411 H THR 62 H THR 62 -1.718 -3.999 -5.911 412 HA THR 62 HA THR 62 -3.265 -1.508 -5.829 413 HB THR 62 HB THR 62 -3.469 -3.597 -8.005 414 HG1 THR 62 1HG THR 62 -1.841 -1.971 -8.278 415 HG21 THR 62 3HG2 THR 62 -5.112 -1.357 -8.538 416 HG22 THR 62 1HG2 THR 62 -5.492 -1.904 -6.905 417 HG23 THR 62 2HG2 THR 62 -5.607 -3.027 -8.260 418 H VAL 63 H VAL 63 -5.098 -1.663 -4.686 419 HA VAL 63 HA VAL 63 -5.974 -4.357 -3.869 420 HB VAL 63 HB VAL 63 -6.217 -1.733 -2.393 421 HG11 VAL 63 1HG1 VAL 63 -7.325 -4.459 -1.746 422 HG12 VAL 63 2HG1 VAL 63 -7.178 -3.155 -0.565 423 HG13 VAL 63 3HG1 VAL 63 -8.220 -2.957 -1.975 424 HG21 VAL 63 3HG2 VAL 63 -4.083 -3.425 -2.512 425 HG22 VAL 63 1HG2 VAL 63 -4.444 -2.348 -1.163 426 HG23 VAL 63 2HG2 VAL 63 -4.947 -4.037 -1.102 427 H THR 64 H THR 64 -7.844 -4.997 -4.688 428 HA THR 64 HA THR 64 -9.785 -2.956 -5.548 429 HB THR 64 HB THR 64 -10.666 -4.558 -7.131 430 HG1 THR 64 1HG THR 64 -10.108 -6.424 -5.727 431 HG21 THR 64 3HG2 THR 64 -7.777 -3.915 -7.124 432 HG22 THR 64 1HG2 THR 64 -9.025 -3.511 -8.303 433 HG23 THR 64 2HG2 THR 64 -8.313 -5.125 -8.290 434 H GLY 65 H GLY 65 -12.089 -3.595 -5.394 435 HA2 GLY 65 1HA GLY 65 -13.908 -4.488 -4.284 436 HA3 GLY 65 2HA GLY 65 -12.838 -5.694 -3.586 437 H LEU 66 H LEU 66 -12.505 -2.189 -3.340 438 HA LEU 66 HA LEU 66 -12.407 -2.421 -0.451 439 HB2 LEU 66 1HB LEU 66 -12.024 -0.061 -2.286 440 HB3 LEU 66 2HB LEU 66 -11.826 -0.012 -0.536 441 HG LEU 66 HG LEU 66 -10.198 -1.961 -2.092 442 HD11 LEU 66 1HD1 LEU 66 -8.701 -0.442 -2.916 443 HD12 LEU 66 2HD1 LEU 66 -9.157 0.806 -1.756 444 HD13 LEU 66 3HD1 LEU 66 -10.206 0.453 -3.129 445 HD21 LEU 66 3HD2 LEU 66 -9.372 -2.216 -0.045 446 HD22 LEU 66 1HD2 LEU 66 -10.282 -0.831 0.557 447 HD23 LEU 66 2HD2 LEU 66 -8.698 -0.591 -0.179 448 H GLN 67 H GLN 67 -13.630 -0.956 0.938 449 HA GLN 67 HA GLN 67 -15.983 0.328 -0.083 450 HB2 GLN 67 1HB GLN 67 -17.625 -1.054 1.056 451 HB3 GLN 67 2HB GLN 67 -16.710 -2.027 -0.088 452 HG2 GLN 67 1HG GLN 67 -15.255 -2.687 1.898 453 HG3 GLN 67 2HG GLN 67 -16.530 -1.999 2.902 454 HE21 GLN 67 1HE2 GLN 67 -16.199 -4.449 3.486 455 HE22 GLN 67 2HE2 GLN 67 -17.343 -5.511 2.747 456 H VAL 68 H VAL 68 -17.350 1.194 1.747 457 HA VAL 68 HA VAL 68 -15.985 2.845 3.399 458 HB VAL 68 HB VAL 68 -18.605 1.511 4.098 459 HG11 VAL 68 1HG1 VAL 68 -17.765 2.560 6.054 460 HG12 VAL 68 2HG1 VAL 68 -17.259 3.989 5.152 461 HG13 VAL 68 3HG1 VAL 68 -18.975 3.648 5.376 462 HG21 VAL 68 3HG2 VAL 68 -18.696 2.572 1.917 463 HG22 VAL 68 1HG2 VAL 68 -19.625 3.511 3.087 464 HG23 VAL 68 2HG2 VAL 68 -18.024 4.059 2.587 465 H GLY 69 H GLY 69 -14.370 2.359 4.743 466 HA2 GLY 69 1HA GLY 69 -14.645 1.169 7.190 467 HA3 GLY 69 2HA GLY 69 -14.214 -0.156 6.119 468 H THR 70 H THR 70 -12.348 -0.247 7.628 469 HA THR 70 HA THR 70 -10.261 1.685 6.849 470 HB THR 70 HB THR 70 -10.189 0.006 9.352 471 HG1 THR 70 1HG THR 70 -11.487 2.449 8.838 472 HG21 THR 70 3HG2 THR 70 -8.483 1.479 10.063 473 HG22 THR 70 1HG2 THR 70 -8.845 2.641 8.788 474 HG23 THR 70 2HG2 THR 70 -8.101 1.093 8.386 475 H TYR 71 H TYR 71 -8.207 0.917 6.335 476 HA TYR 71 HA TYR 71 -7.754 -1.958 6.272 477 HB2 TYR 71 1HB TYR 71 -7.682 -0.257 3.771 478 HB3 TYR 71 2HB TYR 71 -7.142 -1.929 3.877 479 HD1 TYR 71 1HD TYR 71 -10.103 0.276 4.071 480 HD2 TYR 71 2HD TYR 71 -8.692 -3.727 3.775 481 HE1 TYR 71 1HE TYR 71 -12.386 -0.484 3.560 482 HE2 TYR 71 2HE TYR 71 -10.971 -4.498 3.263 483 HH TYR 71 HH TYR 71 -13.053 -3.681 2.456 484 H VAL 72 H VAL 72 -5.815 -2.238 7.129 485 HA VAL 72 HA VAL 72 -3.784 -0.141 6.785 486 HB VAL 72 HB VAL 72 -3.786 -2.404 8.785 487 HG11 VAL 72 1HG1 VAL 72 -1.672 -0.946 7.944 488 HG12 VAL 72 2HG1 VAL 72 -2.254 0.061 9.271 489 HG13 VAL 72 3HG1 VAL 72 -1.823 -1.624 9.565 490 HG21 VAL 72 3HG2 VAL 72 -4.252 0.391 9.642 491 HG22 VAL 72 1HG2 VAL 72 -5.589 -0.432 8.839 492 HG23 VAL 72 2HG2 VAL 72 -4.882 -1.119 10.301 493 H PHE 73 H PHE 73 -2.465 -0.529 5.130 494 HA PHE 73 HA PHE 73 -1.659 -3.302 4.579 495 HB2 PHE 73 1HB PHE 73 -1.444 -0.877 2.782 496 HB3 PHE 73 2HB PHE 73 -1.069 -2.539 2.338 497 HD1 PHE 73 1HD PHE 73 -2.881 -4.200 2.128 498 HD2 PHE 73 2HD PHE 73 -3.675 -0.073 2.800 499 HE1 PHE 73 1HE PHE 73 -5.211 -4.534 1.409 500 HE2 PHE 73 2HE PHE 73 -6.005 -0.400 2.082 501 HZ PHE 73 HZ PHE 73 -6.776 -2.633 1.386 502 H THR 74 H THR 74 0.231 -3.851 5.420 503 HA THR 74 HA THR 74 2.282 -1.793 5.824 504 HB THR 74 HB THR 74 2.114 -4.601 6.938 505 HG1 THR 74 1HG THR 74 1.797 -3.334 8.925 506 HG21 THR 74 3HG2 THR 74 4.385 -3.090 6.579 507 HG22 THR 74 1HG2 THR 74 4.185 -4.375 7.770 508 HG23 THR 74 2HG2 THR 74 3.909 -2.695 8.231 509 H LEU 75 H LEU 75 4.080 -1.732 4.634 510 HA LEU 75 HA LEU 75 4.624 -4.000 2.837 511 HB2 LEU 75 1HB LEU 75 4.198 -2.237 1.422 512 HB3 LEU 75 2HB LEU 75 4.890 -1.049 2.524 513 HG LEU 75 HG LEU 75 6.721 -3.019 1.250 514 HD11 LEU 75 1HD1 LEU 75 5.458 -2.383 -0.660 515 HD12 LEU 75 2HD1 LEU 75 6.951 -1.445 -0.687 516 HD13 LEU 75 3HD1 LEU 75 5.445 -0.690 -0.166 517 HD21 LEU 75 3HD2 LEU 75 8.270 -1.179 1.368 518 HD22 LEU 75 1HD2 LEU 75 7.480 -1.369 2.934 519 HD23 LEU 75 2HD2 LEU 75 6.980 -0.074 1.846 520 H THR 76 H THR 76 6.673 -4.833 2.690 521 HA THR 76 HA THR 76 8.707 -3.702 4.495 522 HB THR 76 HB THR 76 8.064 -6.638 4.153 523 HG1 THR 76 1HG THR 76 6.782 -5.137 5.622 524 HG21 THR 76 3HG2 THR 76 9.794 -6.517 6.224 525 HG22 THR 76 1HG2 THR 76 10.419 -5.213 5.215 526 HG23 THR 76 2HG2 THR 76 10.280 -6.845 4.561 527 H VAL 77 H VAL 77 10.581 -3.303 3.524 528 HA VAL 77 HA VAL 77 11.189 -4.726 1.012 529 HB VAL 77 HB VAL 77 12.411 -2.739 0.265 530 HG11 VAL 77 1HG1 VAL 77 10.260 -1.158 0.355 531 HG12 VAL 77 2HG1 VAL 77 10.349 -2.593 -0.669 532 HG13 VAL 77 3HG1 VAL 77 9.519 -2.667 0.885 533 HG21 VAL 77 3HG2 VAL 77 11.385 -0.759 2.020 534 HG22 VAL 77 1HG2 VAL 77 12.182 -1.993 2.997 535 HG23 VAL 77 2HG2 VAL 77 13.068 -1.182 1.705 536 H LYS 78 H LYS 78 13.564 -4.741 0.493 537 HA LYS 78 HA LYS 78 15.244 -4.850 2.898 538 HB2 LYS 78 1HB LYS 78 14.605 -7.068 1.019 539 HB3 LYS 78 2HB LYS 78 16.260 -6.955 1.604 540 HG2 LYS 78 1HG LYS 78 15.579 -7.214 3.855 541 HG3 LYS 78 2HG LYS 78 13.879 -6.987 3.438 542 HD2 LYS 78 1HD LYS 78 15.371 -9.217 2.147 543 HD3 LYS 78 2HD LYS 78 14.894 -9.394 3.838 544 HE2 LYS 78 1HE LYS 78 12.564 -8.863 3.186 545 HE3 LYS 78 2HE LYS 78 13.076 -8.816 1.500 546 HZ1 LYS 78 3HZ LYS 78 13.823 -11.148 1.774 547 HZ2 LYS 78 1HZ LYS 78 12.152 -10.949 1.951 548 HZ3 LYS 78 2HZ LYS 78 13.128 -11.162 3.316 549 H ASP 79 H ASP 79 17.305 -4.158 2.619 550 HA ASP 79 HA ASP 79 17.986 -3.129 -0.040 551 HB2 ASP 79 1HB ASP 79 19.196 -2.499 2.661 552 HB3 ASP 79 2HB ASP 79 19.646 -1.739 1.137 553 H GLU 80 H GLU 80 20.580 -3.002 -0.201 554 HA GLU 80 HA GLU 80 21.463 -5.534 -0.856 555 HB2 GLU 80 1HB GLU 80 22.540 -3.522 -1.699 556 HB3 GLU 80 2HB GLU 80 23.105 -3.116 -0.085 557 HG2 GLU 80 1HG GLU 80 24.337 -5.355 -0.155 558 HG3 GLU 80 2HG GLU 80 24.020 -5.324 -1.889 559 H ARG 81 H ARG 81 21.708 -3.824 2.199 560 HA ARG 81 HA ARG 81 23.397 -5.853 3.384 561 HB2 ARG 81 1HB ARG 81 22.046 -3.406 4.528 562 HB3 ARG 81 2HB ARG 81 23.051 -4.496 5.474 563 HG2 ARG 81 1HG ARG 81 24.938 -4.010 3.949 564 HG3 ARG 81 2HG ARG 81 23.918 -2.832 3.121 565 HD2 ARG 81 1HD ARG 81 23.614 -1.702 5.353 566 HD3 ARG 81 2HD ARG 81 24.872 -2.769 5.976 567 HE ARG 81 HE ARG 81 25.791 -1.449 3.658 568 HH11 ARG 81 2HH1 ARG 81 25.045 -0.860 7.007 569 HH12 ARG 81 1HH1 ARG 81 26.172 0.446 7.164 570 HH21 ARG 81 2HH2 ARG 81 27.278 0.270 3.852 571 HH22 ARG 81 1HH2 ARG 81 27.441 1.089 5.368 572 H ASN 82 H ASN 82 20.512 -6.276 2.394 573 HA ASN 82 HA ASN 82 18.677 -7.484 2.991 574 HB2 ASN 82 1HB ASN 82 20.896 -8.634 4.607 575 HB3 ASN 82 2HB ASN 82 19.256 -9.119 5.027 576 HD21 ASN 82 1HD2 ASN 82 20.685 -11.119 4.280 577 HD22 ASN 82 2HD2 ASN 82 20.382 -11.605 2.650 578 H LEU 83 H LEU 83 19.141 -4.882 4.284 579 HA LEU 83 HA LEU 83 18.383 -4.963 7.000 580 HB2 LEU 83 1HB LEU 83 18.359 -2.872 4.868 581 HB3 LEU 83 2HB LEU 83 17.557 -2.556 6.406 582 HG LEU 83 HG LEU 83 20.459 -3.333 6.180 583 HD11 LEU 83 1HD1 LEU 83 19.120 -0.731 5.810 584 HD12 LEU 83 2HD1 LEU 83 20.667 -1.313 5.196 585 HD13 LEU 83 3HD1 LEU 83 20.538 -0.740 6.859 586 HD21 LEU 83 3HD2 LEU 83 19.516 -1.745 8.444 587 HD22 LEU 83 1HD2 LEU 83 20.541 -3.180 8.411 588 HD23 LEU 83 2HD2 LEU 83 18.787 -3.348 8.345 589 H GLN 84 H GLN 84 16.511 -5.520 7.874 590 HA GLN 84 HA GLN 84 14.148 -5.767 6.199 591 HB2 GLN 84 1HB GLN 84 15.029 -7.447 8.013 592 HB3 GLN 84 2HB GLN 84 14.173 -6.389 9.127 593 HG2 GLN 84 1HG GLN 84 12.218 -6.732 7.383 594 HG3 GLN 84 2HG GLN 84 13.114 -8.211 7.042 595 HE21 GLN 84 1HE2 GLN 84 11.897 -6.326 9.787 596 HE22 GLN 84 2HE2 GLN 84 11.413 -7.689 10.731 597 H SER 85 H SER 85 12.735 -4.173 6.010 598 HA SER 85 HA SER 85 12.485 -2.243 8.223 599 HB2 SER 85 1HB SER 85 12.359 -1.892 5.243 600 HB3 SER 85 2HB SER 85 11.533 -0.752 6.305 601 HG SER 85 HG SER 85 14.278 -1.261 6.021 602 H GLN 86 H GLN 86 10.228 -0.984 7.782 603 HA GLN 86 HA GLN 86 8.043 -2.576 6.927 604 HB2 GLN 86 1HB GLN 86 8.896 -3.557 9.229 605 HB3 GLN 86 2HB GLN 86 7.980 -2.208 9.889 606 HG2 GLN 86 1HG GLN 86 6.012 -3.040 8.564 607 HG3 GLN 86 2HG GLN 86 6.960 -4.486 8.220 608 HE21 GLN 86 1HE2 GLN 86 7.220 -6.015 9.775 609 HE22 GLN 86 2HE2 GLN 86 6.439 -5.960 11.316 610 H SER 87 H SER 87 6.166 -1.399 6.793 611 HA SER 87 HA SER 87 5.805 1.056 8.242 612 HB2 SER 87 1HB SER 87 6.762 1.067 5.418 613 HB3 SER 87 2HB SER 87 5.546 2.258 5.878 614 HG SER 87 HG SER 87 8.204 2.072 6.593 615 H SER 88 H SER 88 3.694 1.442 8.490 616 HA SER 88 HA SER 88 1.824 -0.049 6.775 617 HB2 SER 88 1HB SER 88 0.221 0.212 8.693 618 HB3 SER 88 2HB SER 88 1.649 -0.751 9.073 619 HG SER 88 HG SER 88 1.526 2.022 9.604 620 H VAL 89 H VAL 89 -0.154 0.962 6.152 621 HA VAL 89 HA VAL 89 -0.106 3.905 6.254 622 HB VAL 89 HB VAL 89 0.637 3.202 4.038 623 HG11 VAL 89 1HG1 VAL 89 -1.274 1.164 4.379 624 HG12 VAL 89 2HG1 VAL 89 -1.804 2.129 3.000 625 HG13 VAL 89 3HG1 VAL 89 -0.190 1.416 3.011 626 HG21 VAL 89 3HG2 VAL 89 -1.029 5.155 4.500 627 HG22 VAL 89 1HG2 VAL 89 -0.679 4.671 2.841 628 HG23 VAL 89 2HG2 VAL 89 -2.169 4.138 3.620 629 H ASN 90 H ASN 90 -2.153 4.944 6.117 630 HA ASN 90 HA ASN 90 -4.348 3.242 7.065 631 HB2 ASN 90 1HB ASN 90 -3.700 6.156 7.407 632 HB3 ASN 90 2HB ASN 90 -5.339 5.568 7.665 633 HD21 ASN 90 1HD2 ASN 90 -5.300 3.433 9.031 634 HD22 ASN 90 2HD2 ASN 90 -4.377 3.543 10.488 635 H VAL 91 H VAL 91 -5.662 2.596 5.490 636 HA VAL 91 HA VAL 91 -6.257 4.448 3.284 637 HB VAL 91 HB VAL 91 -6.745 1.469 3.390 638 HG11 VAL 91 1HG1 VAL 91 -7.239 1.615 1.065 639 HG12 VAL 91 2HG1 VAL 91 -8.206 2.844 1.882 640 HG13 VAL 91 3HG1 VAL 91 -6.748 3.308 1.004 641 HG21 VAL 91 3HG2 VAL 91 -4.817 1.285 1.880 642 HG22 VAL 91 1HG2 VAL 91 -4.521 3.014 2.060 643 HG23 VAL 91 2HG2 VAL 91 -4.358 1.943 3.451 644 H ILE 92 H ILE 92 -7.999 5.628 3.811 645 HA ILE 92 HA ILE 92 -10.276 4.307 5.105 646 HB ILE 92 HB ILE 92 -9.766 7.254 4.679 647 HG12 ILE 92 1HG1 ILE 92 -9.790 5.931 7.358 648 HG13 ILE 92 2HG1 ILE 92 -8.349 5.780 6.359 649 HG21 ILE 92 1HG2 ILE 92 -12.127 5.784 5.411 650 HG22 ILE 92 2HG2 ILE 92 -11.631 6.855 6.721 651 HG23 ILE 92 3HG2 ILE 92 -11.930 7.511 5.112 652 HD11 ILE 92 3HD1 ILE 92 -8.423 7.674 8.051 653 HD12 ILE 92 1HD1 ILE 92 -7.942 8.077 6.403 654 HD13 ILE 92 2HD1 ILE 92 -9.575 8.445 6.961 655 H VAL 93 H VAL 93 -12.249 4.146 4.158 656 HA VAL 93 HA VAL 93 -12.481 5.144 1.392 657 HB VAL 93 HB VAL 93 -13.700 2.638 2.562 658 HG11 VAL 93 1HG1 VAL 93 -15.197 3.601 0.945 659 HG12 VAL 93 2HG1 VAL 93 -13.876 3.826 -0.204 660 HG13 VAL 93 3HG1 VAL 93 -14.406 2.199 0.224 661 HG21 VAL 93 3HG2 VAL 93 -11.788 2.637 0.280 662 HG22 VAL 93 1HG2 VAL 93 -11.154 2.831 1.915 663 HG23 VAL 93 2HG2 VAL 93 -12.094 1.398 1.498 664 H LYS 94 H LYS 94 -13.844 6.799 1.320 665 HA LYS 94 HA LYS 94 -16.153 6.826 3.139 666 HB2 LYS 94 1HB LYS 94 -14.654 9.013 1.714 667 HB3 LYS 94 2HB LYS 94 -16.258 9.285 2.381 668 HG2 LYS 94 1HG LYS 94 -15.535 9.107 4.555 669 HG3 LYS 94 2HG LYS 94 -14.130 8.132 4.121 670 HD2 LYS 94 1HD LYS 94 -13.104 10.107 3.075 671 HD3 LYS 94 2HD LYS 94 -14.500 11.074 3.555 672 HE2 LYS 94 1HE LYS 94 -14.013 10.693 5.888 673 HE3 LYS 94 2HE LYS 94 -12.700 9.594 5.469 674 HZ1 LYS 94 3HZ LYS 94 -12.422 12.169 4.245 675 HZ2 LYS 94 1HZ LYS 94 -11.309 11.285 5.163 676 HZ3 LYS 94 2HZ LYS 94 -12.456 12.261 5.934 677 H GLU 95 H GLU 95 -18.198 7.657 2.285 678 HA GLU 95 HA GLU 95 -18.757 6.490 -0.306 679 HB2 GLU 95 1HB GLU 95 -20.472 7.649 1.879 680 HB3 GLU 95 2HB GLU 95 -21.142 7.238 0.307 681 HG2 GLU 95 1HG GLU 95 -20.752 4.961 0.599 682 HG3 GLU 95 2HG GLU 95 -19.593 5.233 1.898 683 H GLU 96 H GLU 96 -19.821 7.603 -2.018 684 HA GLU 96 HA GLU 96 -18.683 9.999 -2.783 685 HB2 GLU 96 1HB GLU 96 -19.829 8.435 -4.317 686 HB3 GLU 96 2HB GLU 96 -21.376 8.927 -3.642 687 HG2 GLU 96 1HG GLU 96 -20.959 11.223 -4.418 688 HG3 GLU 96 2HG GLU 96 -19.449 10.681 -5.148 689 H SER 97 H SER 97 -18.800 11.876 -1.747 690 HA SER 97 HA SER 97 -20.792 12.635 0.061 691 HB2 SER 97 1HB SER 97 -18.539 13.647 -0.003 692 HB3 SER 97 2HB SER 97 -18.945 14.436 -1.527 693 HG SER 97 HG SER 97 -19.222 15.629 0.584 694 H GLY 98 H GLY 98 -22.877 12.838 -0.450 695 HA2 GLY 98 1HA GLY 98 -23.722 13.709 -3.069 696 HA3 GLY 98 2HA GLY 98 -24.766 13.272 -1.725 697 HA PRO 99 HA PRO 99 -24.107 18.016 -2.284 698 HB2 PRO 99 1HB PRO 99 -26.029 18.621 -4.103 699 HB3 PRO 99 2HB PRO 99 -24.360 18.257 -4.555 700 HG2 PRO 99 1HG PRO 99 -26.768 16.479 -4.607 701 HG3 PRO 99 2HG PRO 99 -25.480 16.654 -5.814 702 HD2 PRO 99 1HD PRO 99 -25.548 14.607 -4.044 703 HD3 PRO 99 2HD PRO 99 -24.028 15.298 -4.646 704 H SER 100 H SER 100 -26.688 15.796 -1.840 705 HA SER 100 HA SER 100 -28.093 17.774 -0.175 706 HB2 SER 100 1HB SER 100 -29.275 17.268 -2.373 707 HB3 SER 100 2HB SER 100 -29.520 15.633 -1.759 708 HG SER 100 HG SER 100 -30.371 18.002 -0.446 709 H SER 101 H SER 101 -29.567 16.704 1.435 710 HA SER 101 HA SER 101 -28.483 14.115 2.323 711 HB2 SER 101 1HB SER 101 -27.470 15.773 3.743 712 HB3 SER 101 2HB SER 101 -29.021 16.569 4.009 713 HG SER 101 HG SER 101 -27.941 14.639 5.436 714 H GLY 102 H GLY 102 -29.957 12.626 2.892 715 HA2 GLY 102 1HA GLY 102 -32.207 12.540 4.191 716 HA3 GLY 102 2HA GLY 102 -32.779 13.437 2.792 Start of MODEL 16 1 H1 GLY 1 H GLY 1 17.412 -3.817 17.410 2 HA2 GLY 1 1HA GLY 1 16.210 -2.802 15.620 3 HA3 GLY 1 2HA GLY 1 15.570 -1.625 16.757 4 H SER 2 H SER 2 17.238 -1.604 14.135 5 HA SER 2 HA SER 2 19.752 -0.649 14.391 6 HB2 SER 2 1HB SER 2 18.253 -0.817 12.285 7 HB3 SER 2 2HB SER 2 17.807 0.850 12.650 8 HG SER 2 HG SER 2 20.374 -0.185 12.057 9 H SER 3 H SER 3 20.736 1.399 14.664 10 HA SER 3 HA SER 3 19.737 2.905 16.821 11 HB2 SER 3 1HB SER 3 21.605 4.502 16.230 12 HB3 SER 3 2HB SER 3 22.107 2.828 16.469 13 HG SER 3 HG SER 3 22.341 4.376 14.278 14 H GLY 4 H GLY 4 19.961 3.675 13.352 15 HA2 GLY 4 1HA GLY 4 18.003 5.839 13.820 16 HA3 GLY 4 2HA GLY 4 19.258 5.914 12.593 17 H SER 5 H SER 5 17.831 6.216 10.892 18 HA SER 5 HA SER 5 16.198 3.858 10.220 19 HB2 SER 5 1HB SER 5 14.640 5.429 9.048 20 HB3 SER 5 2HB SER 5 14.685 5.651 10.797 21 HG SER 5 HG SER 5 14.856 7.664 9.939 22 H SER 6 H SER 6 17.990 6.639 8.951 23 HA SER 6 HA SER 6 18.943 7.033 6.907 24 HB2 SER 6 1HB SER 6 19.637 4.095 7.127 25 HB3 SER 6 2HB SER 6 20.502 5.315 6.193 26 HG SER 6 HG SER 6 20.392 4.944 8.975 27 H GLY 7 H GLY 7 16.311 6.796 6.501 28 HA2 GLY 7 1HA GLY 7 14.872 6.564 4.710 29 HA3 GLY 7 2HA GLY 7 16.183 5.817 3.809 30 H GLN 8 H GLN 8 13.184 5.278 4.970 31 HA GLN 8 HA GLN 8 13.604 2.374 4.960 32 HB2 GLN 8 1HB GLN 8 11.806 2.228 6.749 33 HB3 GLN 8 2HB GLN 8 13.382 2.807 7.273 34 HG2 GLN 8 1HG GLN 8 11.976 4.279 8.323 35 HG3 GLN 8 2HG GLN 8 12.366 5.158 6.845 36 HE21 GLN 8 1HE2 GLN 8 9.944 3.182 8.436 37 HE22 GLN 8 2HE2 GLN 8 8.601 3.746 7.508 38 H ALA 9 H ALA 9 11.665 1.143 4.446 39 HA ALA 9 HA ALA 9 10.406 1.709 2.169 40 HB1 ALA 9 3HB ALA 9 10.083 -0.394 3.335 41 HB2 ALA 9 1HB ALA 9 9.079 0.407 4.544 42 HB3 ALA 9 2HB ALA 9 8.526 0.292 2.873 43 H ASP 10 H ASP 10 8.609 2.795 1.412 44 HA ASP 10 HA ASP 10 7.358 4.689 3.292 45 HB2 ASP 10 1HB ASP 10 9.032 5.528 1.416 46 HB3 ASP 10 2HB ASP 10 7.603 5.379 0.398 47 H ALA 11 H ALA 11 5.372 3.911 3.635 48 HA ALA 11 HA ALA 11 3.892 2.620 1.491 49 HB1 ALA 11 3HB ALA 11 2.184 2.241 3.283 50 HB2 ALA 11 1HB ALA 11 3.767 1.534 3.607 51 HB3 ALA 11 2HB ALA 11 3.287 3.028 4.412 52 H GLY 12 H GLY 12 4.493 5.534 1.441 53 HA2 GLY 12 1HA GLY 12 3.434 7.487 0.863 54 HA3 GLY 12 2HA GLY 12 2.093 6.465 0.366 55 HA PRO 13 HA PRO 13 1.137 9.092 4.228 56 HB2 PRO 13 1HB PRO 13 -0.373 11.016 3.050 57 HB3 PRO 13 2HB PRO 13 1.373 11.171 3.280 58 HG2 PRO 13 1HG PRO 13 -0.151 10.372 0.830 59 HG3 PRO 13 2HG PRO 13 1.241 11.461 0.977 60 HD2 PRO 13 1HD PRO 13 1.481 8.894 0.149 61 HD3 PRO 13 2HD PRO 13 2.752 9.723 1.072 62 H ASP 14 H ASP 14 -1.175 9.733 4.902 63 HA ASP 14 HA ASP 14 -2.829 7.578 4.972 64 HB2 ASP 14 1HB ASP 14 -4.532 8.987 5.800 65 HB3 ASP 14 2HB ASP 14 -3.028 9.790 6.243 66 H LYS 15 H LYS 15 -4.419 6.679 3.754 67 HA LYS 15 HA LYS 15 -4.789 7.799 1.056 68 HB2 LYS 15 1HB LYS 15 -4.942 4.954 2.057 69 HB3 LYS 15 2HB LYS 15 -5.466 5.442 0.450 70 HG2 LYS 15 1HG LYS 15 -2.720 6.177 1.304 71 HG3 LYS 15 2HG LYS 15 -3.048 4.491 0.901 72 HD2 LYS 15 1HD LYS 15 -3.606 5.002 -1.305 73 HD3 LYS 15 2HD LYS 15 -3.890 6.705 -0.937 74 HE2 LYS 15 1HE LYS 15 -1.345 6.667 -0.304 75 HE3 LYS 15 2HE LYS 15 -1.319 5.249 -1.352 76 HZ1 LYS 15 3HZ LYS 15 -1.696 8.052 -2.031 77 HZ2 LYS 15 1HZ LYS 15 -2.645 6.947 -2.891 78 HZ3 LYS 15 2HZ LYS 15 -0.960 6.812 -2.915 79 H GLU 16 H GLU 16 -6.721 8.597 0.579 80 HA GLU 16 HA GLU 16 -9.058 7.618 2.084 81 HB2 GLU 16 1HB GLU 16 -8.334 9.923 2.746 82 HB3 GLU 16 2HB GLU 16 -8.652 10.445 1.097 83 HG2 GLU 16 1HG GLU 16 -10.829 9.072 2.575 84 HG3 GLU 16 2HG GLU 16 -10.432 10.731 3.018 85 H LEU 17 H LEU 17 -10.575 6.740 0.852 86 HA LEU 17 HA LEU 17 -10.777 7.589 -1.961 87 HB2 LEU 17 1HB LEU 17 -11.389 4.804 -1.030 88 HB3 LEU 17 2HB LEU 17 -11.133 5.381 -2.675 89 HG LEU 17 HG LEU 17 -8.885 5.475 -0.707 90 HD11 LEU 17 1HD1 LEU 17 -9.295 3.055 -2.401 91 HD12 LEU 17 2HD1 LEU 17 -10.085 3.163 -0.828 92 HD13 LEU 17 3HD1 LEU 17 -8.327 3.257 -0.941 93 HD21 LEU 17 3HD2 LEU 17 -8.641 4.727 -3.571 94 HD22 LEU 17 1HD2 LEU 17 -7.554 5.667 -2.548 95 HD23 LEU 17 2HD2 LEU 17 -9.027 6.404 -3.180 96 H THR 18 H THR 18 -12.879 7.417 -2.917 97 HA THR 18 HA THR 18 -15.112 7.104 -1.042 98 HB THR 18 HB THR 18 -14.802 9.480 -2.888 99 HG1 THR 18 1HG THR 18 -13.600 9.971 -1.142 100 HG21 THR 18 3HG2 THR 18 -17.101 9.025 -2.796 101 HG22 THR 18 1HG2 THR 18 -16.853 10.243 -1.546 102 HG23 THR 18 2HG2 THR 18 -17.029 8.546 -1.100 103 H LEU 19 H LEU 19 -16.587 5.784 -1.868 104 HA LEU 19 HA LEU 19 -16.500 4.512 -4.274 105 HB2 LEU 19 1HB LEU 19 -18.810 5.210 -2.498 106 HB3 LEU 19 2HB LEU 19 -19.059 4.312 -3.994 107 HG LEU 19 HG LEU 19 -18.961 2.661 -2.358 108 HD11 LEU 19 1HD1 LEU 19 -17.264 1.337 -3.091 109 HD12 LEU 19 2HD1 LEU 19 -16.058 2.617 -2.963 110 HD13 LEU 19 3HD1 LEU 19 -17.182 2.599 -4.322 111 HD21 LEU 19 3HD2 LEU 19 -17.489 2.604 -0.501 112 HD22 LEU 19 1HD2 LEU 19 -18.120 4.249 -0.591 113 HD23 LEU 19 2HD2 LEU 19 -16.489 3.897 -1.164 114 HA PRO 20 HA PRO 20 -18.255 3.610 -5.670 115 HB2 PRO 20 1HB PRO 20 -17.772 3.276 -8.320 116 HB3 PRO 20 2HB PRO 20 -19.358 3.724 -7.682 117 HG2 PRO 20 1HG PRO 20 -17.243 5.464 -8.891 118 HG3 PRO 20 2HG PRO 20 -18.997 5.492 -9.148 119 HD2 PRO 20 1HD PRO 20 -17.737 7.237 -7.506 120 HD3 PRO 20 2HD PRO 20 -19.390 6.664 -7.203 121 H VAL 21 H VAL 21 -15.672 5.706 -6.267 122 HA VAL 21 HA VAL 21 -13.636 4.210 -7.309 123 HB VAL 21 HB VAL 21 -13.365 6.051 -4.929 124 HG11 VAL 21 1HG1 VAL 21 -11.359 5.237 -7.030 125 HG12 VAL 21 2HG1 VAL 21 -11.082 6.385 -5.719 126 HG13 VAL 21 3HG1 VAL 21 -11.379 4.684 -5.356 127 HG21 VAL 21 3HG2 VAL 21 -14.278 6.618 -7.536 128 HG22 VAL 21 1HG2 VAL 21 -13.861 7.759 -6.257 129 HG23 VAL 21 2HG2 VAL 21 -12.636 7.251 -7.419 130 H ASP 22 H ASP 22 -13.596 2.055 -6.813 131 HA ASP 22 HA ASP 22 -13.061 1.364 -3.998 132 HB2 ASP 22 1HB ASP 22 -14.671 0.023 -6.109 133 HB3 ASP 22 2HB ASP 22 -13.772 -1.012 -5.003 134 H SER 23 H SER 23 -11.079 2.258 -5.872 135 HA SER 23 HA SER 23 -9.272 -0.007 -5.688 136 HB2 SER 23 1HB SER 23 -8.613 0.008 -8.005 137 HB3 SER 23 2HB SER 23 -10.366 -0.179 -7.945 138 HG SER 23 HG SER 23 -8.977 2.259 -8.386 139 H THR 24 H THR 24 -7.244 0.614 -5.217 140 HA THR 24 HA THR 24 -6.428 3.375 -5.762 141 HB THR 24 HB THR 24 -7.357 3.007 -3.352 142 HG1 THR 24 1HG THR 24 -5.505 4.388 -2.603 143 HG21 THR 24 3HG2 THR 24 -4.564 1.895 -3.059 144 HG22 THR 24 1HG2 THR 24 -6.052 0.962 -2.911 145 HG23 THR 24 2HG2 THR 24 -5.693 2.239 -1.749 146 H THR 25 H THR 25 -4.030 3.645 -5.085 147 HA THR 25 HA THR 25 -2.536 1.176 -5.652 148 HB THR 25 HB THR 25 -0.937 2.604 -7.010 149 HG1 THR 25 1HG THR 25 -2.279 4.457 -7.969 150 HG21 THR 25 3HG2 THR 25 -3.589 2.603 -8.374 151 HG22 THR 25 1HG2 THR 25 -2.916 1.066 -7.831 152 HG23 THR 25 2HG2 THR 25 -2.016 2.070 -8.968 153 H LEU 26 H LEU 26 -0.864 0.828 -4.329 154 HA LEU 26 HA LEU 26 -0.038 3.027 -2.557 155 HB2 LEU 26 1HB LEU 26 0.223 0.053 -2.138 156 HB3 LEU 26 2HB LEU 26 0.678 1.308 -0.987 157 HG LEU 26 HG LEU 26 -2.153 1.161 -1.915 158 HD11 LEU 26 1HD1 LEU 26 -2.746 -0.570 -0.500 159 HD12 LEU 26 2HD1 LEU 26 -1.241 -0.478 0.413 160 HD13 LEU 26 3HD1 LEU 26 -1.244 -1.157 -1.214 161 HD21 LEU 26 3HD2 LEU 26 -1.277 1.635 0.883 162 HD22 LEU 26 1HD2 LEU 26 -2.603 2.358 -0.028 163 HD23 LEU 26 2HD2 LEU 26 -0.945 2.888 -0.314 164 H ASP 27 H ASP 27 1.502 3.886 -3.995 165 HA ASP 27 HA ASP 27 3.637 2.239 -5.008 166 HB2 ASP 27 1HB ASP 27 4.364 4.122 -6.167 167 HB3 ASP 27 2HB ASP 27 2.628 4.401 -6.049 168 H GLY 28 H GLY 28 5.482 1.754 -4.012 169 HA2 GLY 28 1HA GLY 28 6.376 3.482 -1.797 170 HA3 GLY 28 2HA GLY 28 6.291 1.739 -1.590 171 H SER 29 H SER 29 7.298 3.265 -4.575 172 HA SER 29 HA SER 29 9.704 1.767 -4.670 173 HB2 SER 29 1HB SER 29 8.467 3.913 -6.342 174 HB3 SER 29 2HB SER 29 10.175 3.542 -6.579 175 HG SER 29 HG SER 29 8.960 2.245 -7.939 176 H LYS 30 H LYS 30 8.879 4.696 -3.158 177 HA LYS 30 HA LYS 30 11.610 5.710 -3.124 178 HB2 LYS 30 1HB LYS 30 10.725 7.674 -2.103 179 HB3 LYS 30 2HB LYS 30 9.615 7.223 -3.390 180 HG2 LYS 30 1HG LYS 30 7.954 6.615 -1.935 181 HG3 LYS 30 2HG LYS 30 9.083 6.247 -0.629 182 HD2 LYS 30 1HD LYS 30 8.139 8.213 0.119 183 HD3 LYS 30 2HD LYS 30 9.575 8.810 -0.717 184 HE2 LYS 30 1HE LYS 30 6.941 8.549 -2.129 185 HE3 LYS 30 2HE LYS 30 7.321 9.973 -1.162 186 HZ1 LYS 30 3HZ LYS 30 8.252 10.738 -3.021 187 HZ2 LYS 30 1HZ LYS 30 8.284 9.216 -3.761 188 HZ3 LYS 30 2HZ LYS 30 9.525 9.669 -2.705 189 H SER 31 H SER 31 11.098 3.177 -1.866 190 HA SER 31 HA SER 31 10.751 3.279 0.888 191 HB2 SER 31 1HB SER 31 12.183 1.399 -0.952 192 HB3 SER 31 2HB SER 31 12.363 1.200 0.791 193 HG SER 31 HG SER 31 9.837 1.409 -0.469 194 H SER 32 H SER 32 13.726 3.603 -1.015 195 HA SER 32 HA SER 32 14.934 5.374 0.813 196 HB2 SER 32 1HB SER 32 16.523 4.054 1.933 197 HB3 SER 32 2HB SER 32 15.045 3.096 2.034 198 HG SER 32 HG SER 32 17.401 2.513 0.819 199 H ASP 33 H ASP 33 16.796 6.286 -0.011 200 HA ASP 33 HA ASP 33 17.447 5.487 -2.756 201 HB2 ASP 33 1HB ASP 33 18.307 8.031 -1.381 202 HB3 ASP 33 2HB ASP 33 18.236 7.700 -3.110 203 H ASP 34 H ASP 34 18.863 5.966 0.413 204 HA ASP 34 HA ASP 34 21.538 6.015 -0.030 205 HB2 ASP 34 1HB ASP 34 19.913 4.589 2.052 206 HB3 ASP 34 2HB ASP 34 21.667 4.434 2.040 207 H GLN 35 H GLN 35 19.640 3.003 0.215 208 HA GLN 35 HA GLN 35 21.703 1.694 -1.431 209 HB2 GLN 35 1HB GLN 35 21.617 0.934 0.964 210 HB3 GLN 35 2HB GLN 35 19.988 0.347 0.657 211 HG2 GLN 35 1HG GLN 35 21.390 -1.522 0.468 212 HG3 GLN 35 2HG GLN 35 20.976 -1.065 -1.184 213 HE21 GLN 35 1HE2 GLN 35 23.424 -0.202 1.242 214 HE22 GLN 35 2HE2 GLN 35 24.769 -0.289 0.162 215 H LYS 36 H LYS 36 21.015 0.181 -2.971 216 HA LYS 36 HA LYS 36 18.476 0.761 -4.150 217 HB2 LYS 36 1HB LYS 36 20.528 0.237 -5.461 218 HB3 LYS 36 2HB LYS 36 20.443 -1.418 -4.872 219 HG2 LYS 36 1HG LYS 36 19.493 -1.491 -7.002 220 HG3 LYS 36 2HG LYS 36 18.115 -1.493 -5.900 221 HD2 LYS 36 1HD LYS 36 17.960 0.984 -6.224 222 HD3 LYS 36 2HD LYS 36 19.200 0.841 -7.471 223 HE2 LYS 36 1HE LYS 36 17.232 0.785 -8.696 224 HE3 LYS 36 2HE LYS 36 17.621 -0.925 -8.506 225 HZ1 LYS 36 3HZ LYS 36 16.126 -0.622 -6.382 226 HZ2 LYS 36 1HZ LYS 36 15.447 -0.944 -7.897 227 HZ3 LYS 36 2HZ LYS 36 15.464 0.637 -7.297 228 H ILE 37 H ILE 37 16.615 -0.071 -3.492 229 HA ILE 37 HA ILE 37 16.441 -2.324 -1.766 230 HB ILE 37 HB ILE 37 14.264 -0.913 -3.313 231 HG12 ILE 37 1HG1 ILE 37 13.818 -0.047 -0.895 232 HG13 ILE 37 2HG1 ILE 37 15.489 -0.514 -0.600 233 HG21 ILE 37 1HG2 ILE 37 13.051 -1.992 -1.143 234 HG22 ILE 37 2HG2 ILE 37 13.080 -2.735 -2.742 235 HG23 ILE 37 3HG2 ILE 37 14.245 -3.235 -1.516 236 HD11 ILE 37 3HD1 ILE 37 16.327 1.110 -1.990 237 HD12 ILE 37 1HD1 ILE 37 14.839 1.227 -2.928 238 HD13 ILE 37 2HD1 ILE 37 14.915 1.915 -1.306 239 H ILE 38 H ILE 38 15.866 -4.413 -2.165 240 HA ILE 38 HA ILE 38 15.384 -5.181 -4.964 241 HB ILE 38 HB ILE 38 16.724 -7.253 -4.540 242 HG12 ILE 38 1HG1 ILE 38 17.762 -5.708 -2.156 243 HG13 ILE 38 2HG1 ILE 38 16.652 -7.070 -2.047 244 HG21 ILE 38 1HG2 ILE 38 18.384 -4.763 -4.250 245 HG22 ILE 38 2HG2 ILE 38 18.794 -6.255 -5.094 246 HG23 ILE 38 3HG2 ILE 38 17.547 -5.190 -5.742 247 HD11 ILE 38 3HD1 ILE 38 18.263 -8.597 -2.534 248 HD12 ILE 38 1HD1 ILE 38 19.201 -7.466 -3.509 249 HD13 ILE 38 2HD1 ILE 38 19.249 -7.365 -1.748 250 H SER 39 H SER 39 13.716 -4.843 -2.452 251 HA SER 39 HA SER 39 12.279 -7.365 -2.732 252 HB2 SER 39 1HB SER 39 13.924 -7.327 -0.682 253 HB3 SER 39 2HB SER 39 12.671 -6.325 0.051 254 HG SER 39 HG SER 39 12.371 -8.557 0.487 255 H TYR 40 H TYR 40 10.110 -7.126 -2.665 256 HA TYR 40 HA TYR 40 8.934 -4.734 -1.497 257 HB2 TYR 40 1HB TYR 40 8.731 -5.420 -4.431 258 HB3 TYR 40 2HB TYR 40 7.621 -4.321 -3.619 259 HD1 TYR 40 1HD TYR 40 8.618 -2.256 -2.482 260 HD2 TYR 40 2HD TYR 40 10.770 -4.640 -5.272 261 HE1 TYR 40 1HE TYR 40 10.177 -0.392 -2.862 262 HE2 TYR 40 2HE TYR 40 12.337 -2.784 -5.659 263 HH TYR 40 HH TYR 40 11.900 0.353 -4.057 264 H LEU 41 H LEU 41 7.301 -5.419 -0.299 265 HA LEU 41 HA LEU 41 5.535 -7.510 -1.354 266 HB2 LEU 41 1HB LEU 41 7.245 -8.409 0.292 267 HB3 LEU 41 2HB LEU 41 6.421 -7.450 1.519 268 HG LEU 41 HG LEU 41 4.352 -8.739 1.076 269 HD11 LEU 41 1HD1 LEU 41 4.447 -9.564 -1.065 270 HD12 LEU 41 2HD1 LEU 41 4.877 -10.995 -0.129 271 HD13 LEU 41 3HD1 LEU 41 6.137 -10.048 -0.922 272 HD21 LEU 41 3HD2 LEU 41 5.003 -10.662 2.307 273 HD22 LEU 41 1HD2 LEU 41 6.034 -9.337 2.847 274 HD23 LEU 41 2HD2 LEU 41 6.667 -10.549 1.732 275 H TRP 42 H TRP 42 3.388 -7.361 -0.726 276 HA TRP 42 HA TRP 42 2.644 -5.130 1.024 277 HB2 TRP 42 1HB TRP 42 1.738 -5.555 -1.816 278 HB3 TRP 42 2HB TRP 42 0.764 -4.643 -0.667 279 HD1 TRP 42 HD TRP 42 3.946 -4.415 -2.741 280 HE1 TRP 42 1HE TRP 42 4.823 -1.996 -2.662 281 HE3 TRP 42 3HE TRP 42 0.825 -2.536 0.846 282 HZ2 TRP 42 2HZ TRP 42 4.266 0.392 -1.263 283 HZ3 TRP 42 3HZ TRP 42 1.063 -0.175 1.498 284 HH2 TRP 42 HH TRP 42 2.749 1.256 0.464 285 H GLU 43 H GLU 43 1.441 -5.956 2.592 286 HA GLU 43 HA GLU 43 -0.669 -7.867 1.905 287 HB2 GLU 43 1HB GLU 43 1.239 -8.241 4.220 288 HB3 GLU 43 2HB GLU 43 -0.130 -9.273 3.830 289 HG2 GLU 43 1HG GLU 43 1.095 -9.524 1.535 290 HG3 GLU 43 2HG GLU 43 2.504 -9.023 2.469 291 H LYS 44 H LYS 44 -2.521 -7.682 3.103 292 HA LYS 44 HA LYS 44 -2.847 -5.235 4.581 293 HB2 LYS 44 1HB LYS 44 -4.637 -5.915 3.127 294 HB3 LYS 44 2HB LYS 44 -4.748 -7.485 3.913 295 HG2 LYS 44 1HG LYS 44 -5.709 -6.571 5.848 296 HG3 LYS 44 2HG LYS 44 -5.254 -4.926 5.396 297 HD2 LYS 44 1HD LYS 44 -7.543 -5.036 4.926 298 HD3 LYS 44 2HD LYS 44 -6.771 -5.275 3.357 299 HE2 LYS 44 1HE LYS 44 -6.938 -7.801 3.969 300 HE3 LYS 44 2HE LYS 44 -8.169 -7.256 5.107 301 HZ1 LYS 44 3HZ LYS 44 -8.396 -7.656 2.329 302 HZ2 LYS 44 1HZ LYS 44 -8.707 -6.029 2.675 303 HZ3 LYS 44 2HZ LYS 44 -9.603 -7.242 3.440 304 H THR 45 H THR 45 -2.338 -5.050 6.652 305 HA THR 45 HA THR 45 -2.004 -7.349 8.345 306 HB THR 45 HB THR 45 -1.768 -5.356 10.103 307 HG1 THR 45 1HG THR 45 -0.809 -3.559 8.847 308 HG21 THR 45 3HG2 THR 45 0.329 -6.097 10.008 309 HG22 THR 45 1HG2 THR 45 0.593 -5.193 8.517 310 HG23 THR 45 2HG2 THR 45 -0.009 -6.849 8.449 311 H GLN 46 H GLN 46 -4.215 -4.565 8.275 312 HA GLN 46 HA GLN 46 -6.090 -6.134 9.913 313 HB2 GLN 46 1HB GLN 46 -5.095 -3.361 10.308 314 HB3 GLN 46 2HB GLN 46 -6.798 -3.656 10.635 315 HG2 GLN 46 1HG GLN 46 -6.286 -5.269 12.299 316 HG3 GLN 46 2HG GLN 46 -4.582 -5.282 11.848 317 HE21 GLN 46 1HE2 GLN 46 -4.063 -4.816 14.025 318 HE22 GLN 46 2HE2 GLN 46 -4.218 -3.214 14.652 319 H GLY 47 H GLY 47 -8.358 -5.023 9.815 320 HA2 GLY 47 1HA GLY 47 -9.926 -3.797 8.461 321 HA3 GLY 47 2HA GLY 47 -8.864 -4.045 7.083 322 HA PRO 48 HA PRO 48 -12.348 -7.255 7.294 323 HB2 PRO 48 1HB PRO 48 -13.781 -6.370 5.166 324 HB3 PRO 48 2HB PRO 48 -14.074 -5.816 6.818 325 HG2 PRO 48 1HG PRO 48 -12.535 -4.488 4.620 326 HG3 PRO 48 2HG PRO 48 -13.682 -3.777 5.770 327 HD2 PRO 48 1HD PRO 48 -10.999 -3.581 6.078 328 HD3 PRO 48 2HD PRO 48 -12.114 -3.665 7.456 329 H ASP 49 H ASP 49 -11.295 -8.990 6.520 330 HA ASP 49 HA ASP 49 -9.660 -9.048 4.243 331 HB2 ASP 49 1HB ASP 49 -11.095 -11.323 5.629 332 HB3 ASP 49 2HB ASP 49 -9.801 -11.515 4.450 333 H GLY 50 H GLY 50 -10.124 -9.075 2.146 334 HA2 GLY 50 1HA GLY 50 -11.985 -10.606 0.831 335 HA3 GLY 50 2HA GLY 50 -12.842 -9.129 1.245 336 H VAL 51 H VAL 51 -10.707 -7.308 0.951 337 HA VAL 51 HA VAL 51 -10.895 -6.594 -1.704 338 HB VAL 51 HB VAL 51 -9.241 -4.981 -1.331 339 HG11 VAL 51 1HG1 VAL 51 -10.113 -5.515 1.491 340 HG12 VAL 51 2HG1 VAL 51 -9.859 -3.965 0.687 341 HG13 VAL 51 3HG1 VAL 51 -11.245 -4.967 0.255 342 HG21 VAL 51 3HG2 VAL 51 -7.771 -5.425 0.883 343 HG22 VAL 51 1HG2 VAL 51 -8.007 -7.082 0.328 344 HG23 VAL 51 2HG2 VAL 51 -7.260 -5.893 -0.739 345 H GLN 52 H GLN 52 -9.048 -6.406 -3.284 346 HA GLN 52 HA GLN 52 -7.489 -8.906 -3.328 347 HB2 GLN 52 1HB GLN 52 -9.058 -7.539 -5.479 348 HB3 GLN 52 2HB GLN 52 -7.647 -8.494 -5.914 349 HG2 GLN 52 1HG GLN 52 -8.648 -10.428 -4.744 350 HG3 GLN 52 2HG GLN 52 -10.090 -9.459 -4.447 351 HE21 GLN 52 1HE2 GLN 52 -11.630 -10.219 -5.712 352 HE22 GLN 52 2HE2 GLN 52 -11.483 -10.549 -7.401 353 H LEU 53 H LEU 53 -5.380 -8.567 -3.210 354 HA LEU 53 HA LEU 53 -4.306 -5.954 -3.981 355 HB2 LEU 53 1HB LEU 53 -3.508 -8.082 -2.090 356 HB3 LEU 53 2HB LEU 53 -2.203 -7.194 -2.874 357 HG LEU 53 HG LEU 53 -4.371 -5.628 -1.572 358 HD11 LEU 53 1HD1 LEU 53 -2.103 -6.596 0.105 359 HD12 LEU 53 2HD1 LEU 53 -3.543 -7.598 -0.070 360 HD13 LEU 53 3HD1 LEU 53 -3.678 -5.969 0.592 361 HD21 LEU 53 3HD2 LEU 53 -1.397 -5.331 -1.946 362 HD22 LEU 53 1HD2 LEU 53 -2.378 -4.223 -0.985 363 HD23 LEU 53 2HD2 LEU 53 -2.684 -4.399 -2.713 364 H GLU 54 H GLU 54 -3.320 -5.722 -5.868 365 HA GLU 54 HA GLU 54 -2.279 -8.122 -7.216 366 HB2 GLU 54 1HB GLU 54 -3.587 -5.634 -8.187 367 HB3 GLU 54 2HB GLU 54 -2.344 -6.343 -9.209 368 HG2 GLU 54 1HG GLU 54 -4.909 -7.603 -8.289 369 HG3 GLU 54 2HG GLU 54 -4.430 -7.193 -9.935 370 H ASN 55 H ASN 55 -0.260 -8.038 -8.266 371 HA ASN 55 HA ASN 55 1.961 -7.562 -8.392 372 HB2 ASN 55 1HB ASN 55 0.629 -4.907 -8.552 373 HB3 ASN 55 2HB ASN 55 2.370 -4.918 -8.289 374 HD21 ASN 55 1HD2 ASN 55 -0.063 -5.030 -10.562 375 HD22 ASN 55 2HD2 ASN 55 0.868 -5.544 -11.924 376 H ALA 56 H ALA 56 0.680 -7.932 -5.744 377 HA ALA 56 HA ALA 56 1.570 -6.298 -3.737 378 HB1 ALA 56 3HB ALA 56 1.448 -9.310 -3.746 379 HB2 ALA 56 1HB ALA 56 1.630 -8.316 -2.300 380 HB3 ALA 56 2HB ALA 56 0.165 -8.195 -3.276 381 H ASN 57 H ASN 57 3.431 -8.604 -5.618 382 HA ASN 57 HA ASN 57 5.790 -8.293 -3.972 383 HB2 ASN 57 1HB ASN 57 5.660 -9.612 -6.682 384 HB3 ASN 57 2HB ASN 57 6.812 -9.907 -5.383 385 HD21 ASN 57 1HD2 ASN 57 5.972 -10.879 -3.411 386 HD22 ASN 57 2HD2 ASN 57 4.659 -11.996 -3.526 387 H SER 58 H SER 58 4.689 -5.905 -5.199 388 HA SER 58 HA SER 58 7.078 -5.066 -6.681 389 HB2 SER 58 1HB SER 58 4.250 -4.340 -7.481 390 HB3 SER 58 2HB SER 58 5.729 -3.803 -8.277 391 HG SER 58 HG SER 58 4.643 -6.413 -8.165 392 H SER 59 H SER 59 7.524 -2.799 -6.572 393 HA SER 59 HA SER 59 7.259 -1.668 -4.061 394 HB2 SER 59 1HB SER 59 7.526 0.129 -6.439 395 HB3 SER 59 2HB SER 59 8.390 0.169 -4.903 396 HG SER 59 HG SER 59 9.291 -1.943 -5.701 397 H VAL 60 H VAL 60 5.120 -1.505 -6.806 398 HA VAL 60 HA VAL 60 3.314 0.235 -5.255 399 HB VAL 60 HB VAL 60 3.375 -0.011 -8.263 400 HG11 VAL 60 1HG1 VAL 60 1.612 1.383 -8.326 401 HG12 VAL 60 2HG1 VAL 60 1.340 0.826 -6.674 402 HG13 VAL 60 3HG1 VAL 60 2.192 2.343 -6.966 403 HG21 VAL 60 3HG2 VAL 60 4.149 2.574 -7.432 404 HG22 VAL 60 1HG2 VAL 60 5.137 1.422 -6.534 405 HG23 VAL 60 2HG2 VAL 60 5.110 1.375 -8.297 406 H ALA 61 H ALA 61 1.670 -0.884 -4.457 407 HA ALA 61 HA ALA 61 0.689 -3.232 -5.926 408 HB1 ALA 61 3HB ALA 61 0.526 -2.437 -3.035 409 HB2 ALA 61 1HB ALA 61 -0.484 -3.714 -3.715 410 HB3 ALA 61 2HB ALA 61 1.273 -3.868 -3.745 411 H THR 62 H THR 62 -1.691 -3.628 -5.782 412 HA THR 62 HA THR 62 -3.256 -1.142 -5.753 413 HB THR 62 HB THR 62 -3.455 -3.241 -7.921 414 HG1 THR 62 1HG THR 62 -1.645 -1.496 -7.791 415 HG21 THR 62 3HG2 THR 62 -4.716 -0.688 -8.437 416 HG22 THR 62 1HG2 THR 62 -5.379 -1.452 -6.993 417 HG23 THR 62 2HG2 THR 62 -5.393 -2.313 -8.531 418 H VAL 63 H VAL 63 -4.980 -1.330 -4.492 419 HA VAL 63 HA VAL 63 -5.959 -4.022 -3.833 420 HB VAL 63 HB VAL 63 -6.310 -1.410 -2.358 421 HG11 VAL 63 1HG1 VAL 63 -7.291 -2.902 -0.575 422 HG12 VAL 63 2HG1 VAL 63 -8.296 -2.653 -2.004 423 HG13 VAL 63 3HG1 VAL 63 -7.401 -4.160 -1.806 424 HG21 VAL 63 3HG2 VAL 63 -4.204 -1.999 -1.745 425 HG22 VAL 63 1HG2 VAL 63 -5.089 -3.022 -0.613 426 HG23 VAL 63 2HG2 VAL 63 -4.456 -3.705 -2.110 427 H THR 64 H THR 64 -7.729 -4.654 -4.856 428 HA THR 64 HA THR 64 -9.679 -2.616 -5.708 429 HB THR 64 HB THR 64 -10.421 -4.161 -7.429 430 HG1 THR 64 1HG THR 64 -8.946 -6.108 -7.660 431 HG21 THR 64 3HG2 THR 64 -8.439 -4.189 -8.837 432 HG22 THR 64 1HG2 THR 64 -7.407 -3.959 -7.427 433 HG23 THR 64 2HG2 THR 64 -8.512 -2.679 -7.929 434 H GLY 65 H GLY 65 -11.942 -3.159 -5.584 435 HA2 GLY 65 1HA GLY 65 -13.815 -4.128 -4.639 436 HA3 GLY 65 2HA GLY 65 -12.805 -5.466 -4.113 437 H LEU 66 H LEU 66 -12.808 -1.977 -3.389 438 HA LEU 66 HA LEU 66 -12.508 -2.616 -0.558 439 HB2 LEU 66 1HB LEU 66 -12.230 -0.084 -2.150 440 HB3 LEU 66 2HB LEU 66 -12.234 -0.089 -0.388 441 HG LEU 66 HG LEU 66 -10.285 -1.837 -1.809 442 HD11 LEU 66 1HD1 LEU 66 -9.257 0.826 -1.236 443 HD12 LEU 66 2HD1 LEU 66 -10.457 0.807 -2.527 444 HD13 LEU 66 3HD1 LEU 66 -9.018 -0.205 -2.647 445 HD21 LEU 66 3HD2 LEU 66 -10.326 -0.270 0.762 446 HD22 LEU 66 1HD2 LEU 66 -8.897 -1.104 0.150 447 HD23 LEU 66 2HD2 LEU 66 -10.346 -2.023 0.560 448 H GLN 67 H GLN 67 -13.695 -0.998 0.948 449 HA GLN 67 HA GLN 67 -16.241 -0.029 0.117 450 HB2 GLN 67 1HB GLN 67 -17.603 -1.577 1.512 451 HB3 GLN 67 2HB GLN 67 -16.866 -2.353 0.116 452 HG2 GLN 67 1HG GLN 67 -15.057 -3.174 1.619 453 HG3 GLN 67 2HG GLN 67 -15.974 -2.534 2.982 454 HE21 GLN 67 1HE2 GLN 67 -16.066 -4.673 3.807 455 HE22 GLN 67 2HE2 GLN 67 -17.202 -5.812 3.179 456 H VAL 68 H VAL 68 -17.362 1.083 1.790 457 HA VAL 68 HA VAL 68 -16.003 2.664 3.457 458 HB VAL 68 HB VAL 68 -18.661 1.398 4.140 459 HG11 VAL 68 1HG1 VAL 68 -17.094 2.850 5.835 460 HG12 VAL 68 2HG1 VAL 68 -18.094 4.105 5.101 461 HG13 VAL 68 3HG1 VAL 68 -18.852 2.741 5.924 462 HG21 VAL 68 3HG2 VAL 68 -19.465 2.592 2.447 463 HG22 VAL 68 1HG2 VAL 68 -18.945 4.060 3.275 464 HG23 VAL 68 2HG2 VAL 68 -17.869 3.270 2.121 465 H GLY 69 H GLY 69 -14.224 1.805 4.482 466 HA2 GLY 69 1HA GLY 69 -14.612 0.722 7.064 467 HA3 GLY 69 2HA GLY 69 -14.121 -0.556 5.963 468 H THR 70 H THR 70 -12.384 -0.398 7.790 469 HA THR 70 HA THR 70 -10.291 1.499 6.959 470 HB THR 70 HB THR 70 -10.225 -0.079 9.520 471 HG1 THR 70 1HG THR 70 -11.087 2.042 10.376 472 HG21 THR 70 3HG2 THR 70 -8.652 1.499 10.230 473 HG22 THR 70 1HG2 THR 70 -9.132 2.670 9.003 474 HG23 THR 70 2HG2 THR 70 -8.231 1.226 8.540 475 H TYR 71 H TYR 71 -8.561 0.739 5.936 476 HA TYR 71 HA TYR 71 -7.919 -2.124 6.193 477 HB2 TYR 71 1HB TYR 71 -7.748 -0.429 3.693 478 HB3 TYR 71 2HB TYR 71 -7.207 -2.099 3.826 479 HD1 TYR 71 1HD TYR 71 -10.176 0.099 3.859 480 HD2 TYR 71 2HD TYR 71 -8.751 -3.907 3.693 481 HE1 TYR 71 1HE TYR 71 -12.432 -0.672 3.254 482 HE2 TYR 71 2HE TYR 71 -11.002 -4.688 3.086 483 HH TYR 71 HH TYR 71 -13.045 -3.907 2.193 484 H VAL 72 H VAL 72 -6.000 -2.418 7.090 485 HA VAL 72 HA VAL 72 -3.969 -0.305 6.828 486 HB VAL 72 HB VAL 72 -3.989 -2.544 8.850 487 HG11 VAL 72 1HG1 VAL 72 -2.650 -0.269 9.797 488 HG12 VAL 72 2HG1 VAL 72 -1.942 -1.808 9.300 489 HG13 VAL 72 3HG1 VAL 72 -2.111 -0.495 8.133 490 HG21 VAL 72 3HG2 VAL 72 -5.901 -0.651 8.787 491 HG22 VAL 72 1HG2 VAL 72 -5.273 -1.355 10.277 492 HG23 VAL 72 2HG2 VAL 72 -4.659 0.198 9.709 493 H PHE 73 H PHE 73 -2.631 -0.729 5.191 494 HA PHE 73 HA PHE 73 -1.766 -3.504 4.754 495 HB2 PHE 73 1HB PHE 73 -1.526 -1.139 2.884 496 HB3 PHE 73 2HB PHE 73 -1.139 -2.814 2.505 497 HD1 PHE 73 2HD PHE 73 -3.843 -0.417 3.121 498 HD2 PHE 73 1HD PHE 73 -2.859 -4.406 2.012 499 HE1 PHE 73 2HE PHE 73 -6.156 -0.773 2.363 500 HE2 PHE 73 1HE PHE 73 -5.170 -4.769 1.251 501 HZ PHE 73 HZ PHE 73 -6.823 -2.951 1.427 502 H THR 74 H THR 74 0.253 -4.084 5.213 503 HA THR 74 HA THR 74 2.163 -1.987 5.964 504 HB THR 74 HB THR 74 1.947 -4.899 6.680 505 HG1 THR 74 1HG THR 74 2.217 -3.854 8.812 506 HG21 THR 74 3HG2 THR 74 4.378 -3.192 6.603 507 HG22 THR 74 1HG2 THR 74 4.213 -4.935 6.392 508 HG23 THR 74 2HG2 THR 74 4.153 -4.233 8.009 509 H LEU 75 H LEU 75 4.057 -1.695 4.921 510 HA LEU 75 HA LEU 75 4.576 -3.421 2.595 511 HB2 LEU 75 1HB LEU 75 4.185 -1.229 1.845 512 HB3 LEU 75 2HB LEU 75 5.153 -0.527 3.139 513 HG LEU 75 HG LEU 75 7.183 -1.470 2.057 514 HD11 LEU 75 1HD1 LEU 75 6.176 -1.831 -0.565 515 HD12 LEU 75 2HD1 LEU 75 5.243 -2.863 0.518 516 HD13 LEU 75 3HD1 LEU 75 7.000 -3.000 0.467 517 HD21 LEU 75 3HD2 LEU 75 5.429 0.600 0.896 518 HD22 LEU 75 1HD2 LEU 75 6.762 0.049 -0.119 519 HD23 LEU 75 2HD2 LEU 75 7.089 0.712 1.483 520 H THR 76 H THR 76 6.018 -4.928 3.169 521 HA THR 76 HA THR 76 8.289 -4.165 4.861 522 HB THR 76 HB THR 76 7.176 -6.865 4.100 523 HG1 THR 76 1HG THR 76 6.443 -5.328 5.959 524 HG21 THR 76 3HG2 THR 76 9.666 -6.888 4.131 525 HG22 THR 76 1HG2 THR 76 8.938 -7.891 5.385 526 HG23 THR 76 2HG2 THR 76 9.611 -6.313 5.797 527 H VAL 77 H VAL 77 10.058 -3.541 3.818 528 HA VAL 77 HA VAL 77 10.801 -4.960 1.343 529 HB VAL 77 HB VAL 77 11.593 -3.001 0.339 530 HG11 VAL 77 1HG1 VAL 77 9.299 -1.722 1.727 531 HG12 VAL 77 2HG1 VAL 77 9.668 -1.822 0.004 532 HG13 VAL 77 3HG1 VAL 77 9.004 -3.222 0.847 533 HG21 VAL 77 3HG2 VAL 77 11.598 -1.897 3.114 534 HG22 VAL 77 1HG2 VAL 77 12.878 -1.895 1.900 535 HG23 VAL 77 2HG2 VAL 77 11.507 -0.797 1.738 536 H LYS 78 H LYS 78 13.236 -4.472 0.850 537 HA LYS 78 HA LYS 78 14.873 -4.342 3.250 538 HB2 LYS 78 1HB LYS 78 14.429 -6.812 1.652 539 HB3 LYS 78 2HB LYS 78 16.069 -6.490 2.200 540 HG2 LYS 78 1HG LYS 78 15.485 -6.650 4.444 541 HG3 LYS 78 2HG LYS 78 13.768 -6.407 4.112 542 HD2 LYS 78 1HD LYS 78 13.972 -8.626 2.780 543 HD3 LYS 78 2HD LYS 78 15.445 -8.858 3.724 544 HE2 LYS 78 1HE LYS 78 13.936 -8.328 5.758 545 HE3 LYS 78 2HE LYS 78 12.604 -8.687 4.660 546 HZ1 LYS 78 3HZ LYS 78 14.789 -10.503 5.503 547 HZ2 LYS 78 1HZ LYS 78 13.745 -10.853 4.218 548 HZ3 LYS 78 2HZ LYS 78 13.130 -10.679 5.784 549 H ASP 79 H ASP 79 17.131 -4.054 2.803 550 HA ASP 79 HA ASP 79 17.631 -3.066 0.072 551 HB2 ASP 79 1HB ASP 79 18.689 -2.107 2.732 552 HB3 ASP 79 2HB ASP 79 19.388 -1.615 1.192 553 H GLU 80 H GLU 80 20.098 -2.982 -0.380 554 HA GLU 80 HA GLU 80 21.070 -5.526 -0.686 555 HB2 GLU 80 1HB GLU 80 21.980 -3.582 -1.867 556 HB3 GLU 80 2HB GLU 80 22.688 -2.992 -0.371 557 HG2 GLU 80 1HG GLU 80 23.401 -5.629 -1.625 558 HG3 GLU 80 2HG GLU 80 24.277 -4.129 -1.923 559 H ARG 81 H ARG 81 21.349 -3.428 2.094 560 HA ARG 81 HA ARG 81 23.266 -5.141 3.423 561 HB2 ARG 81 1HB ARG 81 21.817 -2.620 4.192 562 HB3 ARG 81 2HB ARG 81 22.730 -3.544 5.377 563 HG2 ARG 81 1HG ARG 81 24.707 -3.341 3.804 564 HG3 ARG 81 2HG ARG 81 23.750 -2.145 2.927 565 HD2 ARG 81 1HD ARG 81 24.915 -0.789 4.364 566 HD3 ARG 81 2HD ARG 81 23.456 -1.090 5.307 567 HE ARG 81 HE ARG 81 24.710 -2.282 6.817 568 HH11 ARG 81 2HH1 ARG 81 26.579 -1.724 3.933 569 HH12 ARG 81 1HH1 ARG 81 28.060 -2.296 4.626 570 HH21 ARG 81 2HH2 ARG 81 26.654 -3.038 7.740 571 HH22 ARG 81 1HH2 ARG 81 28.102 -3.044 6.791 572 H ASN 82 H ASN 82 20.568 -6.147 2.638 573 HA ASN 82 HA ASN 82 18.799 -7.319 3.497 574 HB2 ASN 82 1HB ASN 82 20.971 -8.077 5.464 575 HB3 ASN 82 2HB ASN 82 19.458 -8.952 5.245 576 HD21 ASN 82 1HD2 ASN 82 22.644 -8.572 4.212 577 HD22 ASN 82 2HD2 ASN 82 22.588 -9.625 2.843 578 H LEU 83 H LEU 83 18.972 -4.596 4.432 579 HA LEU 83 HA LEU 83 18.359 -4.565 7.237 580 HB2 LEU 83 1HB LEU 83 18.440 -2.562 5.038 581 HB3 LEU 83 2HB LEU 83 17.529 -2.171 6.495 582 HG LEU 83 HG LEU 83 20.403 -3.029 6.631 583 HD11 LEU 83 1HD1 LEU 83 20.756 -1.209 5.301 584 HD12 LEU 83 2HD1 LEU 83 20.682 -0.420 6.876 585 HD13 LEU 83 3HD1 LEU 83 19.274 -0.403 5.815 586 HD21 LEU 83 3HD2 LEU 83 18.821 -1.221 8.443 587 HD22 LEU 83 1HD2 LEU 83 20.373 -1.997 8.760 588 HD23 LEU 83 2HD2 LEU 83 18.905 -2.970 8.662 589 H GLN 84 H GLN 84 16.477 -5.102 8.105 590 HA GLN 84 HA GLN 84 14.129 -5.400 6.430 591 HB2 GLN 84 1HB GLN 84 14.983 -6.961 8.369 592 HB3 GLN 84 2HB GLN 84 14.094 -5.837 9.388 593 HG2 GLN 84 1HG GLN 84 12.726 -6.987 7.015 594 HG3 GLN 84 2HG GLN 84 12.972 -8.008 8.431 595 HE21 GLN 84 1HE2 GLN 84 12.487 -6.626 10.541 596 HE22 GLN 84 2HE2 GLN 84 10.931 -5.875 10.527 597 H SER 85 H SER 85 12.375 -4.113 6.419 598 HA SER 85 HA SER 85 12.165 -2.002 8.449 599 HB2 SER 85 1HB SER 85 12.263 -1.656 5.465 600 HB3 SER 85 2HB SER 85 11.385 -0.503 6.469 601 HG SER 85 HG SER 85 13.888 -1.092 7.410 602 H GLN 86 H GLN 86 9.959 -0.739 7.862 603 HA GLN 86 HA GLN 86 7.843 -2.363 6.854 604 HB2 GLN 86 1HB GLN 86 8.500 -3.214 9.274 605 HB3 GLN 86 2HB GLN 86 7.525 -1.839 9.774 606 HG2 GLN 86 1HG GLN 86 5.618 -2.711 8.570 607 HG3 GLN 86 2HG GLN 86 6.587 -4.054 7.966 608 HE21 GLN 86 1HE2 GLN 86 7.268 -5.664 9.426 609 HE22 GLN 86 2HE2 GLN 86 6.443 -5.922 10.922 610 H SER 87 H SER 87 5.985 -1.197 6.510 611 HA SER 87 HA SER 87 5.590 1.374 7.765 612 HB2 SER 87 1HB SER 87 7.203 1.833 5.896 613 HB3 SER 87 2HB SER 87 5.972 1.270 4.765 614 HG SER 87 HG SER 87 6.237 3.684 5.629 615 H SER 88 H SER 88 3.509 1.315 8.263 616 HA SER 88 HA SER 88 1.644 -0.081 6.482 617 HB2 SER 88 1HB SER 88 0.075 0.073 8.440 618 HB3 SER 88 2HB SER 88 1.543 -0.851 8.762 619 HG SER 88 HG SER 88 0.779 1.677 9.702 620 H VAL 89 H VAL 89 -0.352 0.877 5.884 621 HA VAL 89 HA VAL 89 -0.448 3.810 6.123 622 HB VAL 89 HB VAL 89 0.371 3.321 3.897 623 HG11 VAL 89 1HG1 VAL 89 -1.944 2.041 2.772 624 HG12 VAL 89 2HG1 VAL 89 -0.253 1.537 2.727 625 HG13 VAL 89 3HG1 VAL 89 -1.280 1.067 4.083 626 HG21 VAL 89 3HG2 VAL 89 -1.095 4.670 2.702 627 HG22 VAL 89 1HG2 VAL 89 -2.519 3.991 3.491 628 HG23 VAL 89 2HG2 VAL 89 -1.458 5.087 4.377 629 H ASN 90 H ASN 90 -2.433 4.695 6.461 630 HA ASN 90 HA ASN 90 -4.596 2.831 7.047 631 HB2 ASN 90 1HB ASN 90 -3.932 5.627 7.832 632 HB3 ASN 90 2HB ASN 90 -5.632 5.170 7.809 633 HD21 ASN 90 1HD2 ASN 90 -4.114 5.901 10.093 634 HD22 ASN 90 2HD2 ASN 90 -4.082 4.539 11.155 635 H VAL 91 H VAL 91 -5.855 2.318 5.376 636 HA VAL 91 HA VAL 91 -6.477 4.358 3.364 637 HB VAL 91 HB VAL 91 -7.060 1.397 3.254 638 HG11 VAL 91 1HG1 VAL 91 -8.507 2.662 1.807 639 HG12 VAL 91 2HG1 VAL 91 -7.136 3.564 1.158 640 HG13 VAL 91 3HG1 VAL 91 -7.296 1.839 0.825 641 HG21 VAL 91 3HG2 VAL 91 -4.671 2.990 2.420 642 HG22 VAL 91 1HG2 VAL 91 -4.748 1.430 3.239 643 HG23 VAL 91 2HG2 VAL 91 -5.127 1.544 1.520 644 H ILE 92 H ILE 92 -8.189 5.540 3.972 645 HA ILE 92 HA ILE 92 -10.481 4.204 5.219 646 HB ILE 92 HB ILE 92 -9.882 7.149 4.915 647 HG12 ILE 92 1HG1 ILE 92 -10.040 5.728 7.538 648 HG13 ILE 92 2HG1 ILE 92 -8.581 5.539 6.571 649 HG21 ILE 92 1HG2 ILE 92 -12.137 7.256 5.082 650 HG22 ILE 92 2HG2 ILE 92 -12.267 5.665 5.829 651 HG23 ILE 92 3HG2 ILE 92 -11.782 7.056 6.797 652 HD11 ILE 92 3HD1 ILE 92 -9.001 7.510 8.376 653 HD12 ILE 92 1HD1 ILE 92 -7.872 7.609 7.025 654 HD13 ILE 92 2HD1 ILE 92 -9.486 8.305 6.879 655 H VAL 93 H VAL 93 -12.452 4.080 4.274 656 HA VAL 93 HA VAL 93 -12.732 5.258 1.585 657 HB VAL 93 HB VAL 93 -13.838 2.617 2.550 658 HG11 VAL 93 1HG1 VAL 93 -14.176 2.610 -0.130 659 HG12 VAL 93 2HG1 VAL 93 -15.424 3.093 1.021 660 HG13 VAL 93 3HG1 VAL 93 -14.436 4.318 0.224 661 HG21 VAL 93 3HG2 VAL 93 -11.525 2.332 2.143 662 HG22 VAL 93 1HG2 VAL 93 -12.350 1.732 0.705 663 HG23 VAL 93 2HG2 VAL 93 -11.585 3.320 0.683 664 H LYS 94 H LYS 94 -14.475 6.485 1.231 665 HA LYS 94 HA LYS 94 -16.611 6.463 3.263 666 HB2 LYS 94 1HB LYS 94 -15.459 8.764 1.685 667 HB3 LYS 94 2HB LYS 94 -16.964 8.876 2.588 668 HG2 LYS 94 1HG LYS 94 -15.534 9.695 4.147 669 HG3 LYS 94 2HG LYS 94 -15.435 7.979 4.550 670 HD2 LYS 94 1HD LYS 94 -13.360 7.734 3.489 671 HD3 LYS 94 2HD LYS 94 -13.545 9.240 2.587 672 HE2 LYS 94 1HE LYS 94 -13.348 9.157 5.587 673 HE3 LYS 94 2HE LYS 94 -11.929 9.270 4.547 674 HZ1 LYS 94 3HZ LYS 94 -12.253 11.443 4.450 675 HZ2 LYS 94 1HZ LYS 94 -13.666 11.322 5.373 676 HZ3 LYS 94 2HZ LYS 94 -13.743 11.197 3.688 677 H GLU 95 H GLU 95 -18.725 7.331 2.415 678 HA GLU 95 HA GLU 95 -19.347 5.945 -0.058 679 HB2 GLU 95 1HB GLU 95 -20.910 7.050 2.221 680 HB3 GLU 95 2HB GLU 95 -21.722 6.918 0.668 681 HG2 GLU 95 1HG GLU 95 -21.507 4.596 0.618 682 HG3 GLU 95 2HG GLU 95 -20.264 4.594 1.866 683 H GLU 96 H GLU 96 -20.673 6.954 -1.727 684 HA GLU 96 HA GLU 96 -19.555 9.368 -2.651 685 HB2 GLU 96 1HB GLU 96 -20.523 7.598 -4.109 686 HB3 GLU 96 2HB GLU 96 -22.126 8.058 -3.552 687 HG2 GLU 96 1HG GLU 96 -21.952 10.201 -4.569 688 HG3 GLU 96 2HG GLU 96 -20.246 9.950 -4.936 689 H SER 97 H SER 97 -20.573 11.406 -3.018 690 HA SER 97 HA SER 97 -22.661 12.021 -1.032 691 HB2 SER 97 1HB SER 97 -20.557 13.114 -0.483 692 HB3 SER 97 2HB SER 97 -20.453 13.790 -2.109 693 HG SER 97 HG SER 97 -21.347 15.146 -0.307 694 H GLY 98 H GLY 98 -24.427 11.701 -2.381 695 HA2 GLY 98 1HA GLY 98 -24.661 13.657 -4.584 696 HA3 GLY 98 2HA GLY 98 -25.298 12.024 -4.711 697 HA PRO 99 HA PRO 99 -28.795 14.711 -3.390 698 HB2 PRO 99 1HB PRO 99 -30.630 13.460 -4.952 699 HB3 PRO 99 2HB PRO 99 -29.596 14.767 -5.543 700 HG2 PRO 99 1HG PRO 99 -29.284 11.808 -5.875 701 HG3 PRO 99 2HG PRO 99 -29.052 13.099 -7.069 702 HD2 PRO 99 1HD PRO 99 -26.985 11.917 -5.780 703 HD3 PRO 99 2HD PRO 99 -26.949 13.619 -6.283 704 H SER 100 H SER 100 -31.112 13.847 -2.774 705 HA SER 100 HA SER 100 -30.799 11.289 -1.347 706 HB2 SER 100 1HB SER 100 -31.986 12.204 0.559 707 HB3 SER 100 2HB SER 100 -30.614 13.248 0.187 708 HG SER 100 HG SER 100 -32.753 14.271 0.580 709 H SER 101 H SER 101 -33.230 13.690 -2.363 710 HA SER 101 HA SER 101 -35.390 11.853 -2.325 711 HB2 SER 101 1HB SER 101 -36.693 13.601 -3.309 712 HB3 SER 101 2HB SER 101 -35.566 14.376 -2.196 713 HG SER 101 HG SER 101 -34.311 14.999 -3.926 714 H GLY 102 H GLY 102 -33.406 13.178 -4.963 715 HA2 GLY 102 1HA GLY 102 -33.183 10.915 -6.482 716 HA3 GLY 102 2HA GLY 102 -34.722 11.607 -6.972 Start of MODEL 17 1 H1 GLY 1 H GLY 1 18.634 10.513 10.404 2 HA2 GLY 1 1HA GLY 1 16.957 12.038 11.766 3 HA3 GLY 1 2HA GLY 1 15.818 10.883 11.090 4 H SER 2 H SER 2 16.299 11.306 13.863 5 HA SER 2 HA SER 2 18.050 9.428 14.996 6 HB2 SER 2 1HB SER 2 15.529 10.723 16.038 7 HB3 SER 2 2HB SER 2 16.512 9.635 17.018 8 HG SER 2 HG SER 2 17.476 11.988 15.757 9 H SER 3 H SER 3 17.419 7.480 16.224 10 HA SER 3 HA SER 3 16.063 5.639 14.547 11 HB2 SER 3 1HB SER 3 16.906 5.300 17.435 12 HB3 SER 3 2HB SER 3 16.494 4.003 16.314 13 HG SER 3 HG SER 3 18.725 5.735 16.269 14 H GLY 4 H GLY 4 14.290 4.191 15.363 15 HA2 GLY 4 1HA GLY 4 12.375 3.933 16.820 16 HA3 GLY 4 2HA GLY 4 12.358 5.679 17.022 17 H SER 5 H SER 5 12.140 6.867 14.806 18 HA SER 5 HA SER 5 9.628 6.038 13.716 19 HB2 SER 5 1HB SER 5 10.442 8.443 14.069 20 HB3 SER 5 2HB SER 5 11.387 8.219 12.597 21 HG SER 5 HG SER 5 9.052 9.083 12.565 22 H SER 6 H SER 6 9.166 5.555 11.522 23 HA SER 6 HA SER 6 10.979 3.733 10.337 24 HB2 SER 6 1HB SER 6 8.385 3.852 10.162 25 HB3 SER 6 2HB SER 6 8.689 4.965 8.829 26 HG SER 6 HG SER 6 9.326 3.351 7.632 27 H GLY 7 H GLY 7 12.009 3.855 8.277 28 HA2 GLY 7 1HA GLY 7 12.234 6.428 6.967 29 HA3 GLY 7 2HA GLY 7 13.690 5.908 7.803 30 H GLN 8 H GLN 8 13.440 3.123 7.276 31 HA GLN 8 HA GLN 8 14.666 3.015 4.725 32 HB2 GLN 8 1HB GLN 8 14.858 1.434 6.826 33 HB3 GLN 8 2HB GLN 8 13.558 0.562 6.024 34 HG2 GLN 8 1HG GLN 8 15.765 -0.354 5.498 35 HG3 GLN 8 2HG GLN 8 14.925 0.240 4.066 36 HE21 GLN 8 1HE2 GLN 8 17.132 1.451 6.571 37 HE22 GLN 8 2HE2 GLN 8 18.147 2.335 5.489 38 H ALA 9 H ALA 9 11.432 2.254 5.893 39 HA ALA 9 HA ALA 9 10.606 1.753 3.107 40 HB1 ALA 9 3HB ALA 9 10.328 -0.203 4.545 41 HB2 ALA 9 1HB ALA 9 9.318 0.742 5.640 42 HB3 ALA 9 2HB ALA 9 8.770 0.415 3.996 43 H ASP 10 H ASP 10 9.172 3.098 2.218 44 HA ASP 10 HA ASP 10 7.674 4.911 3.994 45 HB2 ASP 10 1HB ASP 10 9.470 6.141 2.881 46 HB3 ASP 10 2HB ASP 10 8.911 5.568 1.312 47 H ALA 11 H ALA 11 5.905 3.435 3.880 48 HA ALA 11 HA ALA 11 4.723 2.499 1.527 49 HB1 ALA 11 3HB ALA 11 4.236 2.214 4.213 50 HB2 ALA 11 1HB ALA 11 2.811 3.086 3.647 51 HB3 ALA 11 2HB ALA 11 3.253 1.544 2.911 52 H GLY 12 H GLY 12 4.467 5.583 3.162 53 HA2 GLY 12 1HA GLY 12 3.936 7.487 1.686 54 HA3 GLY 12 2HA GLY 12 2.658 6.490 1.007 55 HA PRO 13 HA PRO 13 1.117 9.214 4.559 56 HB2 PRO 13 1HB PRO 13 -0.436 10.875 3.075 57 HB3 PRO 13 2HB PRO 13 1.262 11.212 3.433 58 HG2 PRO 13 1HG PRO 13 0.042 10.055 0.956 59 HG3 PRO 13 2HG PRO 13 1.317 11.278 1.110 60 HD2 PRO 13 1HD PRO 13 1.849 8.680 0.562 61 HD3 PRO 13 2HD PRO 13 2.955 9.704 1.501 62 H ASP 14 H ASP 14 -1.361 9.817 4.810 63 HA ASP 14 HA ASP 14 -2.788 7.394 4.797 64 HB2 ASP 14 1HB ASP 14 -4.654 8.662 5.642 65 HB3 ASP 14 2HB ASP 14 -3.181 9.294 6.373 66 H LYS 15 H LYS 15 -4.707 6.821 3.658 67 HA LYS 15 HA LYS 15 -4.932 8.092 1.007 68 HB2 LYS 15 1HB LYS 15 -4.935 5.201 1.805 69 HB3 LYS 15 2HB LYS 15 -5.789 5.711 0.355 70 HG2 LYS 15 1HG LYS 15 -2.959 6.554 0.728 71 HG3 LYS 15 2HG LYS 15 -3.307 4.894 0.240 72 HD2 LYS 15 1HD LYS 15 -4.139 5.523 -1.798 73 HD3 LYS 15 2HD LYS 15 -4.673 7.101 -1.214 74 HE2 LYS 15 1HE LYS 15 -2.234 7.722 -1.031 75 HE3 LYS 15 2HE LYS 15 -1.872 6.230 -1.897 76 HZ1 LYS 15 3HZ LYS 15 -1.994 8.174 -3.364 77 HZ2 LYS 15 1HZ LYS 15 -3.612 8.406 -2.926 78 HZ3 LYS 15 2HZ LYS 15 -3.154 7.009 -3.761 79 H GLU 16 H GLU 16 -6.849 8.955 0.579 80 HA GLU 16 HA GLU 16 -9.201 7.941 2.036 81 HB2 GLU 16 1HB GLU 16 -8.213 10.344 2.530 82 HB3 GLU 16 2HB GLU 16 -9.101 10.765 1.072 83 HG2 GLU 16 1HG GLU 16 -11.051 9.498 2.317 84 HG3 GLU 16 2HG GLU 16 -10.107 9.940 3.738 85 H LEU 17 H LEU 17 -10.366 6.809 0.621 86 HA LEU 17 HA LEU 17 -10.667 7.853 -2.113 87 HB2 LEU 17 1HB LEU 17 -11.269 5.065 -1.155 88 HB3 LEU 17 2HB LEU 17 -11.176 5.630 -2.822 89 HG LEU 17 HG LEU 17 -8.763 5.730 -1.050 90 HD11 LEU 17 1HD1 LEU 17 -9.140 3.375 -2.800 91 HD12 LEU 17 2HD1 LEU 17 -10.027 3.394 -1.276 92 HD13 LEU 17 3HD1 LEU 17 -8.268 3.531 -1.275 93 HD21 LEU 17 3HD2 LEU 17 -7.584 5.973 -2.995 94 HD22 LEU 17 1HD2 LEU 17 -9.097 6.756 -3.452 95 HD23 LEU 17 2HD2 LEU 17 -8.775 5.097 -3.958 96 H THR 18 H THR 18 -12.751 7.765 -3.107 97 HA THR 18 HA THR 18 -15.005 7.607 -1.220 98 HB THR 18 HB THR 18 -14.883 9.669 -3.415 99 HG1 THR 18 1HG THR 18 -14.245 11.143 -1.787 100 HG21 THR 18 3HG2 THR 18 -17.104 9.254 -2.655 101 HG22 THR 18 1HG2 THR 18 -16.583 10.766 -1.913 102 HG23 THR 18 2HG2 THR 18 -16.599 9.278 -0.966 103 H LEU 19 H LEU 19 -16.380 6.096 -1.864 104 HA LEU 19 HA LEU 19 -16.351 4.599 -4.117 105 HB2 LEU 19 1HB LEU 19 -18.659 5.477 -2.416 106 HB3 LEU 19 2HB LEU 19 -18.888 4.379 -3.775 107 HG LEU 19 HG LEU 19 -17.069 3.828 -1.432 108 HD11 LEU 19 1HD1 LEU 19 -19.962 3.433 -1.818 109 HD12 LEU 19 2HD1 LEU 19 -19.020 3.582 -0.335 110 HD13 LEU 19 3HD1 LEU 19 -19.070 2.044 -1.197 111 HD21 LEU 19 3HD2 LEU 19 -16.498 1.906 -2.440 112 HD22 LEU 19 1HD2 LEU 19 -17.010 2.725 -3.916 113 HD23 LEU 19 2HD2 LEU 19 -18.121 1.641 -3.080 114 HA PRO 20 HA PRO 20 -18.096 3.528 -5.386 115 HB2 PRO 20 1HB PRO 20 -17.634 2.920 -7.991 116 HB3 PRO 20 2HB PRO 20 -19.221 3.408 -7.386 117 HG2 PRO 20 1HG PRO 20 -17.149 5.041 -8.801 118 HG3 PRO 20 2HG PRO 20 -18.906 5.013 -9.038 119 HD2 PRO 20 1HD PRO 20 -17.660 6.945 -7.608 120 HD3 PRO 20 2HD PRO 20 -19.300 6.381 -7.225 121 H VAL 21 H VAL 21 -15.559 5.591 -6.050 122 HA VAL 21 HA VAL 21 -13.493 4.052 -7.019 123 HB VAL 21 HB VAL 21 -13.281 6.095 -4.802 124 HG11 VAL 21 1HG1 VAL 21 -11.106 5.735 -6.758 125 HG12 VAL 21 2HG1 VAL 21 -11.036 6.061 -5.025 126 HG13 VAL 21 3HG1 VAL 21 -11.329 4.421 -5.605 127 HG21 VAL 21 3HG2 VAL 21 -14.312 7.260 -6.521 128 HG22 VAL 21 1HG2 VAL 21 -12.601 7.542 -6.844 129 HG23 VAL 21 2HG2 VAL 21 -13.487 6.337 -7.778 130 H ASP 22 H ASP 22 -13.332 1.961 -6.367 131 HA ASP 22 HA ASP 22 -12.761 1.511 -3.511 132 HB2 ASP 22 1HB ASP 22 -13.571 -0.913 -4.145 133 HB3 ASP 22 2HB ASP 22 -14.737 0.341 -3.733 134 H SER 23 H SER 23 -10.859 2.186 -5.554 135 HA SER 23 HA SER 23 -9.081 -0.089 -5.244 136 HB2 SER 23 1HB SER 23 -8.483 -0.163 -7.629 137 HB3 SER 23 2HB SER 23 -10.186 -0.553 -7.390 138 HG SER 23 HG SER 23 -10.611 1.694 -7.901 139 H THR 24 H THR 24 -7.020 0.527 -4.934 140 HA THR 24 HA THR 24 -6.184 3.208 -5.766 141 HB THR 24 HB THR 24 -7.011 3.114 -3.304 142 HG1 THR 24 1HG THR 24 -5.763 4.832 -4.267 143 HG21 THR 24 3HG2 THR 24 -5.268 2.455 -1.704 144 HG22 THR 24 1HG2 THR 24 -4.276 1.859 -3.033 145 HG23 THR 24 2HG2 THR 24 -5.816 1.082 -2.666 146 H THR 25 H THR 25 -3.783 3.511 -5.398 147 HA THR 25 HA THR 25 -2.364 0.958 -5.804 148 HB THR 25 HB THR 25 -0.761 2.297 -7.246 149 HG1 THR 25 1HG THR 25 -2.189 4.307 -6.425 150 HG21 THR 25 3HG2 THR 25 -3.278 1.122 -7.865 151 HG22 THR 25 1HG2 THR 25 -1.843 1.242 -8.882 152 HG23 THR 25 2HG2 THR 25 -3.053 2.524 -8.911 153 H LEU 26 H LEU 26 -0.924 0.566 -4.267 154 HA LEU 26 HA LEU 26 0.062 2.770 -2.623 155 HB2 LEU 26 1HB LEU 26 0.345 -0.210 -2.264 156 HB3 LEU 26 2HB LEU 26 0.858 1.020 -1.111 157 HG LEU 26 HG LEU 26 -2.015 0.802 -1.940 158 HD11 LEU 26 1HD1 LEU 26 -2.460 -0.953 -0.597 159 HD12 LEU 26 2HD1 LEU 26 -1.186 -0.541 0.550 160 HD13 LEU 26 3HD1 LEU 26 -0.784 -1.372 -0.952 161 HD21 LEU 26 3HD2 LEU 26 -1.991 1.511 0.646 162 HD22 LEU 26 1HD2 LEU 26 -1.900 2.674 -0.677 163 HD23 LEU 26 2HD2 LEU 26 -0.428 2.161 0.149 164 H ASP 27 H ASP 27 1.609 3.707 -3.949 165 HA ASP 27 HA ASP 27 3.755 2.067 -5.020 166 HB2 ASP 27 1HB ASP 27 4.334 3.875 -6.330 167 HB3 ASP 27 2HB ASP 27 2.615 4.185 -6.098 168 H GLY 28 H GLY 28 5.710 1.811 -4.126 169 HA2 GLY 28 1HA GLY 28 6.426 3.566 -1.861 170 HA3 GLY 28 2HA GLY 28 6.640 1.824 -1.780 171 H SER 29 H SER 29 7.247 3.482 -4.761 172 HA SER 29 HA SER 29 9.853 2.483 -5.007 173 HB2 SER 29 1HB SER 29 10.054 4.138 -6.893 174 HB3 SER 29 2HB SER 29 8.628 3.104 -6.983 175 HG SER 29 HG SER 29 8.434 5.579 -5.682 176 H LYS 30 H LYS 30 8.663 5.127 -3.235 177 HA LYS 30 HA LYS 30 11.277 6.447 -3.143 178 HB2 LYS 30 1HB LYS 30 8.536 7.269 -2.189 179 HB3 LYS 30 2HB LYS 30 9.991 8.164 -1.771 180 HG2 LYS 30 1HG LYS 30 9.300 7.590 -4.627 181 HG3 LYS 30 2HG LYS 30 8.590 8.958 -3.766 182 HD2 LYS 30 1HD LYS 30 11.542 8.589 -3.656 183 HD3 LYS 30 2HD LYS 30 10.828 9.209 -5.146 184 HE2 LYS 30 1HE LYS 30 9.589 10.852 -3.565 185 HE3 LYS 30 2HE LYS 30 10.843 10.414 -2.405 186 HZ1 LYS 30 3HZ LYS 30 11.216 12.428 -3.930 187 HZ2 LYS 30 1HZ LYS 30 11.567 11.285 -5.127 188 HZ3 LYS 30 2HZ LYS 30 12.491 11.338 -3.711 189 H SER 31 H SER 31 11.151 3.918 -1.966 190 HA SER 31 HA SER 31 10.595 3.925 0.786 191 HB2 SER 31 1HB SER 31 11.990 1.907 0.889 192 HB3 SER 31 2HB SER 31 10.925 1.860 -0.515 193 HG SER 31 HG SER 31 12.607 1.891 -1.779 194 H SER 32 H SER 32 13.557 4.659 -1.004 195 HA SER 32 HA SER 32 14.540 6.165 1.283 196 HB2 SER 32 1HB SER 32 16.044 3.838 0.070 197 HB3 SER 32 2HB SER 32 16.800 5.059 1.093 198 HG SER 32 HG SER 32 14.836 4.378 2.520 199 H ASP 33 H ASP 33 16.691 7.256 0.667 200 HA ASP 33 HA ASP 33 16.397 9.080 -1.278 201 HB2 ASP 33 1HB ASP 33 18.885 9.244 -1.409 202 HB3 ASP 33 2HB ASP 33 18.268 9.194 0.240 203 H ASP 34 H ASP 34 17.883 5.892 -1.763 204 HA ASP 34 HA ASP 34 17.457 6.239 -4.659 205 HB2 ASP 34 1HB ASP 34 19.751 4.926 -3.203 206 HB3 ASP 34 2HB ASP 34 19.419 4.627 -4.907 207 H GLN 35 H GLN 35 17.835 3.798 -5.626 208 HA GLN 35 HA GLN 35 15.688 2.254 -4.367 209 HB2 GLN 35 1HB GLN 35 16.792 2.419 -7.143 210 HB3 GLN 35 2HB GLN 35 15.945 0.962 -6.640 211 HG2 GLN 35 1HG GLN 35 14.338 2.306 -7.690 212 HG3 GLN 35 2HG GLN 35 14.032 2.460 -5.961 213 HE21 GLN 35 1HE2 GLN 35 15.555 4.027 -8.721 214 HE22 GLN 35 2HE2 GLN 35 15.401 5.640 -8.123 215 H LYS 36 H LYS 36 17.671 1.874 -2.790 216 HA LYS 36 HA LYS 36 19.440 -0.245 -3.660 217 HB2 LYS 36 1HB LYS 36 19.066 1.227 -1.059 218 HB3 LYS 36 2HB LYS 36 20.125 -0.171 -1.187 219 HG2 LYS 36 1HG LYS 36 21.254 1.097 -3.104 220 HG3 LYS 36 2HG LYS 36 20.396 2.513 -2.490 221 HD2 LYS 36 1HD LYS 36 22.466 2.611 -1.417 222 HD3 LYS 36 2HD LYS 36 21.407 1.877 -0.211 223 HE2 LYS 36 1HE LYS 36 22.246 -0.313 -0.730 224 HE3 LYS 36 2HE LYS 36 23.178 0.317 -2.087 225 HZ1 LYS 36 3HZ LYS 36 24.516 1.591 -0.527 226 HZ2 LYS 36 1HZ LYS 36 24.578 -0.060 -0.161 227 HZ3 LYS 36 2HZ LYS 36 23.625 0.978 0.774 228 H ILE 37 H ILE 37 16.295 -0.094 -2.586 229 HA ILE 37 HA ILE 37 16.278 -2.475 -0.969 230 HB ILE 37 HB ILE 37 13.962 -0.993 -2.221 231 HG12 ILE 37 1HG1 ILE 37 13.678 -0.142 0.152 232 HG13 ILE 37 2HG1 ILE 37 15.284 -0.780 0.487 233 HG21 ILE 37 1HG2 ILE 37 12.600 -2.533 -1.375 234 HG22 ILE 37 2HG2 ILE 37 14.026 -3.520 -1.054 235 HG23 ILE 37 3HG2 ILE 37 13.390 -2.454 0.199 236 HD11 ILE 37 3HD1 ILE 37 14.878 1.105 -1.788 237 HD12 ILE 37 1HD1 ILE 37 14.986 1.714 -0.137 238 HD13 ILE 37 2HD1 ILE 37 16.325 0.796 -0.827 239 H ILE 38 H ILE 38 16.849 -4.303 -1.998 240 HA ILE 38 HA ILE 38 15.873 -4.840 -4.688 241 HB ILE 38 HB ILE 38 17.287 -6.837 -4.610 242 HG12 ILE 38 1HG1 ILE 38 18.908 -6.751 -2.484 243 HG13 ILE 38 2HG1 ILE 38 17.463 -6.077 -1.738 244 HG21 ILE 38 1HG2 ILE 38 19.464 -5.702 -4.465 245 HG22 ILE 38 2HG2 ILE 38 18.274 -4.752 -5.353 246 HG23 ILE 38 3HG2 ILE 38 18.679 -4.326 -3.691 247 HD11 ILE 38 3HD1 ILE 38 18.022 -8.704 -1.862 248 HD12 ILE 38 1HD1 ILE 38 16.391 -8.046 -1.746 249 HD13 ILE 38 2HD1 ILE 38 17.042 -8.517 -3.316 250 H SER 39 H SER 39 13.970 -4.744 -2.504 251 HA SER 39 HA SER 39 12.664 -7.270 -2.998 252 HB2 SER 39 1HB SER 39 13.647 -8.174 -1.131 253 HB3 SER 39 2HB SER 39 13.871 -6.605 -0.358 254 HG SER 39 HG SER 39 11.365 -7.899 -0.677 255 H TYR 40 H TYR 40 10.446 -7.198 -2.657 256 HA TYR 40 HA TYR 40 9.264 -4.837 -1.447 257 HB2 TYR 40 1HB TYR 40 9.020 -5.492 -4.378 258 HB3 TYR 40 2HB TYR 40 7.811 -4.528 -3.536 259 HD1 TYR 40 1HD TYR 40 8.839 -2.513 -2.125 260 HD2 TYR 40 2HD TYR 40 10.725 -4.373 -5.455 261 HE1 TYR 40 1HE TYR 40 10.198 -0.493 -2.476 262 HE2 TYR 40 2HE TYR 40 12.090 -2.359 -5.814 263 HH TYR 40 HH TYR 40 12.304 -0.160 -5.272 264 H LEU 41 H LEU 41 7.532 -5.416 -0.318 265 HA LEU 41 HA LEU 41 5.838 -7.599 -1.254 266 HB2 LEU 41 1HB LEU 41 7.696 -8.366 0.392 267 HB3 LEU 41 2HB LEU 41 6.695 -7.581 1.612 268 HG LEU 41 HG LEU 41 4.859 -9.089 1.114 269 HD11 LEU 41 1HD1 LEU 41 5.105 -9.472 -1.214 270 HD12 LEU 41 2HD1 LEU 41 5.300 -11.032 -0.416 271 HD13 LEU 41 3HD1 LEU 41 6.716 -10.157 -0.999 272 HD21 LEU 41 3HD2 LEU 41 7.313 -9.798 2.285 273 HD22 LEU 41 1HD2 LEU 41 6.788 -11.194 1.343 274 HD23 LEU 41 2HD2 LEU 41 5.727 -10.513 2.577 275 H TRP 42 H TRP 42 3.725 -7.271 -0.843 276 HA TRP 42 HA TRP 42 3.010 -5.133 1.052 277 HB2 TRP 42 1HB TRP 42 2.039 -5.576 -1.761 278 HB3 TRP 42 2HB TRP 42 1.063 -4.695 -0.589 279 HD1 TRP 42 HD TRP 42 4.241 -4.388 -2.677 280 HE1 TRP 42 1HE TRP 42 5.034 -1.940 -2.625 281 HE3 TRP 42 3HE TRP 42 1.032 -2.570 0.864 282 HZ2 TRP 42 2HZ TRP 42 4.386 0.446 -1.262 283 HZ3 TRP 42 3HZ TRP 42 1.185 -0.195 1.486 284 HH2 TRP 42 HH TRP 42 2.828 1.281 0.444 285 H GLU 43 H GLU 43 1.672 -5.791 2.593 286 HA GLU 43 HA GLU 43 -0.330 -7.835 1.999 287 HB2 GLU 43 1HB GLU 43 1.606 -8.023 4.315 288 HB3 GLU 43 2HB GLU 43 0.224 -9.079 4.059 289 HG2 GLU 43 1HG GLU 43 1.251 -9.754 1.881 290 HG3 GLU 43 2HG GLU 43 2.687 -8.846 2.352 291 H LYS 44 H LYS 44 -2.190 -7.682 3.211 292 HA LYS 44 HA LYS 44 -2.608 -5.158 4.545 293 HB2 LYS 44 1HB LYS 44 -4.325 -6.033 3.049 294 HB3 LYS 44 2HB LYS 44 -4.480 -7.478 4.040 295 HG2 LYS 44 1HG LYS 44 -5.451 -6.268 5.821 296 HG3 LYS 44 2HG LYS 44 -5.018 -4.718 5.097 297 HD2 LYS 44 1HD LYS 44 -7.364 -5.102 4.747 298 HD3 LYS 44 2HD LYS 44 -6.532 -5.247 3.197 299 HE2 LYS 44 1HE LYS 44 -8.069 -7.043 3.300 300 HE3 LYS 44 2HE LYS 44 -6.476 -7.737 3.597 301 HZ1 LYS 44 3HZ LYS 44 -8.427 -7.015 5.717 302 HZ2 LYS 44 1HZ LYS 44 -6.937 -7.785 5.942 303 HZ3 LYS 44 2HZ LYS 44 -8.185 -8.580 5.122 304 H THR 45 H THR 45 -2.114 -4.881 6.611 305 HA THR 45 HA THR 45 -1.772 -7.095 8.408 306 HB THR 45 HB THR 45 -1.589 -5.043 10.087 307 HG1 THR 45 1HG THR 45 -0.745 -3.751 7.733 308 HG21 THR 45 3HG2 THR 45 0.226 -6.590 9.406 309 HG22 THR 45 1HG2 THR 45 0.779 -4.927 9.601 310 HG23 THR 45 2HG2 THR 45 0.512 -5.584 7.986 311 H GLN 46 H GLN 46 -3.930 -4.253 8.390 312 HA GLN 46 HA GLN 46 -5.834 -5.820 10.002 313 HB2 GLN 46 1HB GLN 46 -4.893 -3.012 10.264 314 HB3 GLN 46 2HB GLN 46 -6.589 -3.328 10.606 315 HG2 GLN 46 1HG GLN 46 -6.086 -4.745 12.392 316 HG3 GLN 46 2HG GLN 46 -4.410 -4.939 11.880 317 HE21 GLN 46 1HE2 GLN 46 -5.848 -3.914 14.374 318 HE22 GLN 46 2HE2 GLN 46 -5.031 -2.435 14.733 319 H GLY 47 H GLY 47 -8.082 -4.461 9.880 320 HA2 GLY 47 1HA GLY 47 -9.686 -3.451 8.467 321 HA3 GLY 47 2HA GLY 47 -8.602 -3.691 7.105 322 HA PRO 48 HA PRO 48 -11.999 -6.992 7.331 323 HB2 PRO 48 1HB PRO 48 -13.432 -6.182 5.172 324 HB3 PRO 48 2HB PRO 48 -13.759 -5.609 6.812 325 HG2 PRO 48 1HG PRO 48 -12.232 -4.276 4.609 326 HG3 PRO 48 2HG PRO 48 -13.411 -3.578 5.735 327 HD2 PRO 48 1HD PRO 48 -10.737 -3.303 6.068 328 HD3 PRO 48 2HD PRO 48 -11.866 -3.395 7.436 329 H ASP 49 H ASP 49 -12.097 -8.781 5.961 330 HA ASP 49 HA ASP 49 -9.939 -8.936 4.017 331 HB2 ASP 49 1HB ASP 49 -10.502 -10.697 5.840 332 HB3 ASP 49 2HB ASP 49 -11.769 -11.210 4.728 333 H GLY 50 H GLY 50 -10.276 -9.920 1.904 334 HA2 GLY 50 1HA GLY 50 -12.146 -10.684 0.362 335 HA3 GLY 50 2HA GLY 50 -12.905 -9.161 0.800 336 H VAL 51 H VAL 51 -10.816 -7.403 0.705 337 HA VAL 51 HA VAL 51 -10.675 -6.598 -1.893 338 HB VAL 51 HB VAL 51 -8.655 -5.314 -1.318 339 HG11 VAL 51 1HG1 VAL 51 -9.615 -4.102 0.640 340 HG12 VAL 51 2HG1 VAL 51 -10.762 -4.379 -0.672 341 HG13 VAL 51 3HG1 VAL 51 -10.819 -5.382 0.778 342 HG21 VAL 51 3HG2 VAL 51 -7.894 -7.351 0.211 343 HG22 VAL 51 1HG2 VAL 51 -7.334 -5.703 0.494 344 HG23 VAL 51 2HG2 VAL 51 -8.656 -6.363 1.457 345 H GLN 52 H GLN 52 -8.774 -6.498 -3.368 346 HA GLN 52 HA GLN 52 -7.259 -9.023 -3.348 347 HB2 GLN 52 1HB GLN 52 -8.875 -7.769 -5.512 348 HB3 GLN 52 2HB GLN 52 -7.395 -8.600 -5.971 349 HG2 GLN 52 1HG GLN 52 -9.458 -9.918 -4.245 350 HG3 GLN 52 2HG GLN 52 -9.582 -9.918 -6.003 351 HE21 GLN 52 1HE2 GLN 52 -9.482 -12.305 -5.003 352 HE22 GLN 52 2HE2 GLN 52 -7.924 -13.036 -5.159 353 H LEU 53 H LEU 53 -5.155 -8.663 -3.192 354 HA LEU 53 HA LEU 53 -4.069 -6.062 -3.928 355 HB2 LEU 53 1HB LEU 53 -3.210 -8.325 -2.223 356 HB3 LEU 53 2HB LEU 53 -1.939 -7.369 -2.982 357 HG LEU 53 HG LEU 53 -4.068 -5.929 -1.483 358 HD11 LEU 53 1HD1 LEU 53 -3.176 -7.991 -0.165 359 HD12 LEU 53 2HD1 LEU 53 -3.271 -6.415 0.620 360 HD13 LEU 53 3HD1 LEU 53 -1.723 -7.007 0.016 361 HD21 LEU 53 3HD2 LEU 53 -1.087 -5.515 -1.593 362 HD22 LEU 53 1HD2 LEU 53 -2.322 -4.374 -1.060 363 HD23 LEU 53 2HD2 LEU 53 -2.212 -4.822 -2.763 364 H GLU 54 H GLU 54 -3.047 -5.701 -5.779 365 HA GLU 54 HA GLU 54 -2.118 -8.024 -7.335 366 HB2 GLU 54 1HB GLU 54 -3.409 -5.453 -8.111 367 HB3 GLU 54 2HB GLU 54 -2.239 -6.152 -9.221 368 HG2 GLU 54 1HG GLU 54 -3.549 -7.976 -9.677 369 HG3 GLU 54 2HG GLU 54 -4.411 -7.877 -8.142 370 H ASN 55 H ASN 55 -0.065 -8.068 -8.129 371 HA ASN 55 HA ASN 55 2.162 -7.620 -8.241 372 HB2 ASN 55 1HB ASN 55 0.876 -4.966 -8.680 373 HB3 ASN 55 2HB ASN 55 2.617 -5.002 -8.414 374 HD21 ASN 55 1HD2 ASN 55 0.027 -5.798 -10.548 375 HD22 ASN 55 2HD2 ASN 55 1.000 -6.262 -11.899 376 H ALA 56 H ALA 56 1.116 -8.013 -5.664 377 HA ALA 56 HA ALA 56 1.962 -6.058 -3.805 378 HB1 ALA 56 3HB ALA 56 1.419 -7.588 -2.142 379 HB2 ALA 56 1HB ALA 56 0.359 -8.049 -3.474 380 HB3 ALA 56 2HB ALA 56 1.823 -8.977 -3.150 381 H ASN 57 H ASN 57 3.637 -8.546 -5.537 382 HA ASN 57 HA ASN 57 5.940 -8.525 -3.786 383 HB2 ASN 57 1HB ASN 57 5.317 -9.899 -6.397 384 HB3 ASN 57 2HB ASN 57 6.921 -9.962 -5.672 385 HD21 ASN 57 1HD2 ASN 57 3.638 -11.012 -5.464 386 HD22 ASN 57 2HD2 ASN 57 3.870 -12.183 -4.215 387 H SER 58 H SER 58 4.985 -6.074 -5.264 388 HA SER 58 HA SER 58 7.585 -5.387 -6.455 389 HB2 SER 58 1HB SER 58 4.849 -4.702 -7.549 390 HB3 SER 58 2HB SER 58 6.344 -3.948 -8.103 391 HG SER 58 HG SER 58 5.344 -6.066 -9.093 392 H SER 59 H SER 59 7.615 -2.861 -6.791 393 HA SER 59 HA SER 59 7.344 -1.737 -4.168 394 HB2 SER 59 1HB SER 59 9.147 -1.269 -6.020 395 HB3 SER 59 2HB SER 59 7.975 -0.077 -6.584 396 HG SER 59 HG SER 59 8.488 -0.058 -3.867 397 H VAL 60 H VAL 60 5.432 -1.794 -7.027 398 HA VAL 60 HA VAL 60 3.612 0.202 -5.844 399 HB VAL 60 HB VAL 60 4.024 -0.362 -8.784 400 HG11 VAL 60 1HG1 VAL 60 2.533 1.616 -9.077 401 HG12 VAL 60 2HG1 VAL 60 1.731 0.203 -8.387 402 HG13 VAL 60 3HG1 VAL 60 2.192 1.552 -7.348 403 HG21 VAL 60 3HG2 VAL 60 4.505 2.336 -7.739 404 HG22 VAL 60 1HG2 VAL 60 5.646 1.115 -7.178 405 HG23 VAL 60 2HG2 VAL 60 5.427 1.389 -8.906 406 H ALA 61 H ALA 61 2.059 -0.982 -4.901 407 HA ALA 61 HA ALA 61 0.964 -3.295 -6.338 408 HB1 ALA 61 3HB ALA 61 0.551 -2.472 -3.466 409 HB2 ALA 61 1HB ALA 61 -0.013 -3.964 -4.221 410 HB3 ALA 61 2HB ALA 61 1.716 -3.670 -4.030 411 H THR 62 H THR 62 -1.430 -3.615 -6.130 412 HA THR 62 HA THR 62 -2.951 -1.119 -6.007 413 HB THR 62 HB THR 62 -3.134 -3.010 -8.360 414 HG1 THR 62 1HG THR 62 -2.181 -1.294 -9.514 415 HG21 THR 62 3HG2 THR 62 -5.034 -1.982 -8.926 416 HG22 THR 62 1HG2 THR 62 -4.325 -0.389 -8.668 417 HG23 THR 62 2HG2 THR 62 -5.038 -1.267 -7.314 418 H VAL 63 H VAL 63 -4.479 -1.505 -4.549 419 HA VAL 63 HA VAL 63 -5.589 -4.202 -4.293 420 HB VAL 63 HB VAL 63 -5.698 -1.790 -2.489 421 HG11 VAL 63 1HG1 VAL 63 -7.841 -2.656 -2.201 422 HG12 VAL 63 2HG1 VAL 63 -7.299 -4.323 -2.406 423 HG13 VAL 63 3HG1 VAL 63 -6.908 -3.442 -0.928 424 HG21 VAL 63 3HG2 VAL 63 -4.841 -3.958 -1.042 425 HG22 VAL 63 1HG2 VAL 63 -4.126 -4.244 -2.629 426 HG23 VAL 63 2HG2 VAL 63 -3.800 -2.737 -1.773 427 H THR 64 H THR 64 -7.631 -4.703 -4.825 428 HA THR 64 HA THR 64 -9.446 -2.504 -5.570 429 HB THR 64 HB THR 64 -10.305 -3.776 -7.418 430 HG1 THR 64 1HG THR 64 -10.187 -5.878 -7.204 431 HG21 THR 64 3HG2 THR 64 -8.639 -2.875 -8.595 432 HG22 THR 64 1HG2 THR 64 -7.727 -4.363 -8.350 433 HG23 THR 64 2HG2 THR 64 -7.533 -3.015 -7.230 434 H GLY 65 H GLY 65 -11.741 -3.035 -5.455 435 HA2 GLY 65 1HA GLY 65 -13.592 -4.135 -4.580 436 HA3 GLY 65 2HA GLY 65 -12.529 -5.415 -4.014 437 H LEU 66 H LEU 66 -12.206 -1.974 -3.312 438 HA LEU 66 HA LEU 66 -12.106 -2.543 -0.486 439 HB2 LEU 66 1HB LEU 66 -11.978 0.074 -1.977 440 HB3 LEU 66 2HB LEU 66 -11.673 -0.134 -0.253 441 HG LEU 66 HG LEU 66 -10.015 -1.681 -2.184 442 HD11 LEU 66 1HD1 LEU 66 -8.433 0.269 -2.243 443 HD12 LEU 66 2HD1 LEU 66 -9.760 1.269 -1.653 444 HD13 LEU 66 3HD1 LEU 66 -9.896 0.453 -3.211 445 HD21 LEU 66 3HD2 LEU 66 -9.763 -0.564 0.575 446 HD22 LEU 66 1HD2 LEU 66 -8.314 -0.924 -0.364 447 HD23 LEU 66 2HD2 LEU 66 -9.472 -2.205 -0.004 448 H GLN 67 H GLN 67 -13.402 -1.346 1.090 449 HA GLN 67 HA GLN 67 -15.990 -0.392 0.137 450 HB2 GLN 67 1HB GLN 67 -15.708 -2.601 2.182 451 HB3 GLN 67 2HB GLN 67 -17.214 -1.817 1.724 452 HG2 GLN 67 1HG GLN 67 -16.725 -2.613 -0.639 453 HG3 GLN 67 2HG GLN 67 -15.488 -3.639 0.085 454 HE21 GLN 67 1HE2 GLN 67 -18.820 -3.197 -0.514 455 HE22 GLN 67 2HE2 GLN 67 -19.385 -4.641 0.248 456 H VAL 68 H VAL 68 -17.222 0.732 1.798 457 HA VAL 68 HA VAL 68 -15.818 2.639 3.173 458 HB VAL 68 HB VAL 68 -18.535 1.505 3.844 459 HG11 VAL 68 1HG1 VAL 68 -16.933 3.242 5.388 460 HG12 VAL 68 2HG1 VAL 68 -18.216 4.218 4.668 461 HG13 VAL 68 3HG1 VAL 68 -18.623 2.804 5.641 462 HG21 VAL 68 3HG2 VAL 68 -18.911 3.992 2.799 463 HG22 VAL 68 1HG2 VAL 68 -17.517 3.426 1.879 464 HG23 VAL 68 2HG2 VAL 68 -19.012 2.489 1.883 465 H GLY 69 H GLY 69 -14.063 1.778 4.300 466 HA2 GLY 69 1HA GLY 69 -14.578 1.104 7.019 467 HA3 GLY 69 2HA GLY 69 -14.059 -0.310 6.113 468 H THR 70 H THR 70 -12.277 -0.219 7.711 469 HA THR 70 HA THR 70 -10.216 1.742 6.950 470 HB THR 70 HB THR 70 -10.113 0.061 9.444 471 HG1 THR 70 1HG THR 70 -11.587 1.288 10.330 472 HG21 THR 70 3HG2 THR 70 -8.701 1.890 10.247 473 HG22 THR 70 1HG2 THR 70 -8.935 2.749 8.726 474 HG23 THR 70 2HG2 THR 70 -8.064 1.215 8.748 475 H TYR 71 H TYR 71 -8.367 1.063 6.047 476 HA TYR 71 HA TYR 71 -7.747 -1.812 6.117 477 HB2 TYR 71 1HB TYR 71 -7.661 0.004 3.701 478 HB3 TYR 71 2HB TYR 71 -6.983 -1.620 3.745 479 HD1 TYR 71 1HD TYR 71 -10.123 0.319 3.902 480 HD2 TYR 71 2HD TYR 71 -8.372 -3.540 3.520 481 HE1 TYR 71 1HE TYR 71 -12.311 -0.604 3.264 482 HE2 TYR 71 2HE TYR 71 -10.555 -4.473 2.879 483 HH TYR 71 HH TYR 71 -12.659 -3.853 2.075 484 H VAL 72 H VAL 72 -5.808 -2.153 6.954 485 HA VAL 72 HA VAL 72 -3.790 -0.016 6.764 486 HB VAL 72 HB VAL 72 -3.781 -2.261 8.774 487 HG11 VAL 72 1HG1 VAL 72 -2.499 0.443 9.009 488 HG12 VAL 72 2HG1 VAL 72 -2.138 -1.034 9.905 489 HG13 VAL 72 3HG1 VAL 72 -1.690 -0.902 8.204 490 HG21 VAL 72 3HG2 VAL 72 -4.898 0.518 9.140 491 HG22 VAL 72 1HG2 VAL 72 -5.850 -0.962 9.021 492 HG23 VAL 72 2HG2 VAL 72 -4.758 -0.724 10.385 493 H PHE 73 H PHE 73 -2.527 -0.468 5.059 494 HA PHE 73 HA PHE 73 -1.647 -3.235 4.639 495 HB2 PHE 73 1HB PHE 73 -1.409 -0.837 2.809 496 HB3 PHE 73 2HB PHE 73 -0.949 -2.488 2.408 497 HD1 PHE 73 1HD PHE 73 -2.636 -4.183 1.989 498 HD2 PHE 73 2HD PHE 73 -3.716 -0.162 2.871 499 HE1 PHE 73 1HE PHE 73 -4.916 -4.620 1.173 500 HE2 PHE 73 2HE PHE 73 -5.997 -0.592 2.057 501 HZ PHE 73 HZ PHE 73 -6.600 -2.823 1.207 502 H THR 74 H THR 74 0.351 -3.844 5.137 503 HA THR 74 HA THR 74 2.331 -1.751 5.749 504 HB THR 74 HB THR 74 2.009 -4.535 6.867 505 HG1 THR 74 1HG THR 74 0.875 -2.560 7.722 506 HG21 THR 74 3HG2 THR 74 4.429 -3.015 6.496 507 HG22 THR 74 1HG2 THR 74 4.219 -4.639 7.148 508 HG23 THR 74 2HG2 THR 74 4.093 -3.239 8.213 509 H LEU 75 H LEU 75 3.950 -1.554 4.360 510 HA LEU 75 HA LEU 75 4.487 -3.682 2.449 511 HB2 LEU 75 1HB LEU 75 4.407 -1.664 1.345 512 HB3 LEU 75 2HB LEU 75 5.184 -0.792 2.665 513 HG LEU 75 HG LEU 75 7.328 -1.938 2.027 514 HD11 LEU 75 1HD1 LEU 75 7.146 -2.599 -0.538 515 HD12 LEU 75 2HD1 LEU 75 5.515 -3.044 -0.039 516 HD13 LEU 75 3HD1 LEU 75 6.909 -3.773 0.757 517 HD21 LEU 75 3HD2 LEU 75 5.899 -0.039 0.198 518 HD22 LEU 75 1HD2 LEU 75 7.559 -0.545 -0.117 519 HD23 LEU 75 2HD2 LEU 75 7.164 0.297 1.381 520 H THR 76 H THR 76 5.915 -5.198 2.945 521 HA THR 76 HA THR 76 8.118 -4.547 4.775 522 HB THR 76 HB THR 76 7.217 -7.296 3.903 523 HG1 THR 76 1HG THR 76 5.766 -5.765 5.280 524 HG21 THR 76 3HG2 THR 76 9.529 -7.101 4.771 525 HG22 THR 76 1HG2 THR 76 8.490 -8.074 5.810 526 HG23 THR 76 2HG2 THR 76 8.885 -6.415 6.261 527 H VAL 77 H VAL 77 9.978 -4.049 3.832 528 HA VAL 77 HA VAL 77 10.806 -5.583 1.460 529 HB VAL 77 HB VAL 77 11.641 -3.699 0.352 530 HG11 VAL 77 1HG1 VAL 77 9.730 -2.577 -0.169 531 HG12 VAL 77 2HG1 VAL 77 9.025 -3.894 0.771 532 HG13 VAL 77 3HG1 VAL 77 9.289 -2.318 1.518 533 HG21 VAL 77 3HG2 VAL 77 12.802 -2.640 2.180 534 HG22 VAL 77 1HG2 VAL 77 11.761 -1.453 1.394 535 HG23 VAL 77 2HG2 VAL 77 11.275 -2.173 2.928 536 H LYS 78 H LYS 78 13.030 -5.968 1.244 537 HA LYS 78 HA LYS 78 14.628 -5.399 3.654 538 HB2 LYS 78 1HB LYS 78 14.203 -7.926 2.145 539 HB3 LYS 78 2HB LYS 78 15.820 -7.626 2.769 540 HG2 LYS 78 1HG LYS 78 14.933 -7.405 5.019 541 HG3 LYS 78 2HG LYS 78 13.294 -7.646 4.410 542 HD2 LYS 78 1HD LYS 78 15.541 -9.649 4.189 543 HD3 LYS 78 2HD LYS 78 14.258 -9.694 5.400 544 HE2 LYS 78 1HE LYS 78 12.595 -9.850 3.583 545 HE3 LYS 78 2HE LYS 78 13.911 -9.886 2.409 546 HZ1 LYS 78 3HZ LYS 78 14.588 -11.973 3.113 547 HZ2 LYS 78 1HZ LYS 78 12.902 -12.093 3.169 548 HZ3 LYS 78 2HZ LYS 78 13.780 -11.863 4.595 549 H ASP 79 H ASP 79 16.662 -4.636 3.372 550 HA ASP 79 HA ASP 79 17.387 -3.781 0.700 551 HB2 ASP 79 1HB ASP 79 17.595 -2.399 2.876 552 HB3 ASP 79 2HB ASP 79 19.052 -3.345 3.167 553 H GLU 80 H GLU 80 19.869 -3.896 0.234 554 HA GLU 80 HA GLU 80 20.516 -6.547 -0.312 555 HB2 GLU 80 1HB GLU 80 22.443 -4.233 -0.055 556 HB3 GLU 80 2HB GLU 80 22.724 -5.730 -0.934 557 HG2 GLU 80 1HG GLU 80 20.946 -5.170 -2.492 558 HG3 GLU 80 2HG GLU 80 20.615 -3.688 -1.598 559 H ARG 81 H ARG 81 21.123 -4.614 2.512 560 HA ARG 81 HA ARG 81 23.030 -6.506 3.611 561 HB2 ARG 81 1HB ARG 81 21.831 -3.945 4.660 562 HB3 ARG 81 2HB ARG 81 22.897 -4.960 5.621 563 HG2 ARG 81 1HG ARG 81 24.550 -4.719 3.671 564 HG3 ARG 81 2HG ARG 81 23.524 -3.377 3.160 565 HD2 ARG 81 1HD ARG 81 23.960 -2.156 5.116 566 HD3 ARG 81 2HD ARG 81 24.593 -3.570 5.958 567 HE ARG 81 HE ARG 81 26.296 -3.234 3.865 568 HH11 ARG 81 2HH1 ARG 81 25.152 -1.175 6.428 569 HH12 ARG 81 1HH1 ARG 81 26.605 -0.233 6.496 570 HH21 ARG 81 2HH2 ARG 81 28.214 -2.002 3.945 571 HH22 ARG 81 1HH2 ARG 81 28.345 -0.704 5.083 572 H ASN 82 H ASN 82 20.055 -7.043 3.068 573 HA ASN 82 HA ASN 82 18.402 -8.305 3.988 574 HB2 ASN 82 1HB ASN 82 20.731 -8.972 5.756 575 HB3 ASN 82 2HB ASN 82 19.129 -9.590 6.148 576 HD21 ASN 82 1HD2 ASN 82 19.420 -11.700 5.718 577 HD22 ASN 82 2HD2 ASN 82 19.823 -12.334 4.162 578 H LEU 83 H LEU 83 18.852 -5.478 4.805 579 HA LEU 83 HA LEU 83 18.117 -5.218 7.544 580 HB2 LEU 83 1HB LEU 83 18.242 -3.373 5.198 581 HB3 LEU 83 2HB LEU 83 17.437 -2.852 6.676 582 HG LEU 83 HG LEU 83 20.293 -3.806 6.605 583 HD11 LEU 83 1HD1 LEU 83 20.575 -1.191 6.950 584 HD12 LEU 83 2HD1 LEU 83 19.115 -1.163 5.962 585 HD13 LEU 83 3HD1 LEU 83 20.578 -1.934 5.350 586 HD21 LEU 83 3HD2 LEU 83 19.646 -3.916 8.805 587 HD22 LEU 83 1HD2 LEU 83 18.482 -2.601 8.643 588 HD23 LEU 83 2HD2 LEU 83 20.209 -2.247 8.709 589 H GLN 84 H GLN 84 16.222 -5.816 8.346 590 HA GLN 84 HA GLN 84 13.874 -5.972 6.654 591 HB2 GLN 84 1HB GLN 84 14.677 -7.599 8.584 592 HB3 GLN 84 2HB GLN 84 13.761 -6.485 9.590 593 HG2 GLN 84 1HG GLN 84 12.123 -7.973 9.119 594 HG3 GLN 84 2HG GLN 84 11.922 -6.897 7.738 595 HE21 GLN 84 1HE2 GLN 84 11.400 -8.100 6.057 596 HE22 GLN 84 2HE2 GLN 84 12.193 -9.554 5.565 597 H SER 85 H SER 85 12.373 -4.448 6.493 598 HA SER 85 HA SER 85 11.666 -2.754 8.706 599 HB2 SER 85 1HB SER 85 13.772 -1.766 7.448 600 HB3 SER 85 2HB SER 85 12.553 -1.223 6.295 601 HG SER 85 HG SER 85 13.206 0.071 8.361 602 H GLN 86 H GLN 86 9.722 -1.623 8.372 603 HA GLN 86 HA GLN 86 8.399 -1.680 5.822 604 HB2 GLN 86 1HB GLN 86 6.575 -3.119 6.397 605 HB3 GLN 86 2HB GLN 86 8.065 -4.003 6.699 606 HG2 GLN 86 1HG GLN 86 7.720 -3.015 9.131 607 HG3 GLN 86 2HG GLN 86 6.038 -2.987 8.604 608 HE21 GLN 86 1HE2 GLN 86 5.009 -4.683 9.362 609 HE22 GLN 86 2HE2 GLN 86 5.616 -6.299 9.435 610 H SER 87 H SER 87 6.165 -0.752 5.983 611 HA SER 87 HA SER 87 5.687 0.846 8.375 612 HB2 SER 87 1HB SER 87 7.096 2.293 6.991 613 HB3 SER 87 2HB SER 87 6.005 2.070 5.623 614 HG SER 87 HG SER 87 4.972 3.030 8.044 615 H SER 88 H SER 88 3.554 1.388 8.692 616 HA SER 88 HA SER 88 1.656 0.080 6.878 617 HB2 SER 88 1HB SER 88 0.082 0.602 8.919 618 HB3 SER 88 2HB SER 88 1.219 -0.743 9.002 619 HG SER 88 HG SER 88 1.287 1.738 10.291 620 H VAL 89 H VAL 89 -0.175 1.141 6.100 621 HA VAL 89 HA VAL 89 -0.178 4.073 6.391 622 HB VAL 89 HB VAL 89 0.742 3.517 4.203 623 HG11 VAL 89 1HG1 VAL 89 -0.538 1.286 4.136 624 HG12 VAL 89 2HG1 VAL 89 -1.858 2.232 3.444 625 HG13 VAL 89 3HG1 VAL 89 -0.299 2.158 2.623 626 HG21 VAL 89 3HG2 VAL 89 -1.949 4.392 3.392 627 HG22 VAL 89 1HG2 VAL 89 -1.215 5.314 4.703 628 HG23 VAL 89 2HG2 VAL 89 -0.383 5.167 3.155 629 H ASN 90 H ASN 90 -2.094 4.973 6.852 630 HA ASN 90 HA ASN 90 -4.357 3.253 7.321 631 HB2 ASN 90 1HB ASN 90 -3.704 6.120 7.865 632 HB3 ASN 90 2HB ASN 90 -5.391 5.614 7.895 633 HD21 ASN 90 1HD2 ASN 90 -3.607 6.550 10.038 634 HD22 ASN 90 2HD2 ASN 90 -3.642 5.312 11.243 635 H VAL 91 H VAL 91 -5.722 2.703 5.765 636 HA VAL 91 HA VAL 91 -6.231 4.622 3.587 637 HB VAL 91 HB VAL 91 -6.480 1.611 3.563 638 HG11 VAL 91 1HG1 VAL 91 -6.615 2.954 0.997 639 HG12 VAL 91 2HG1 VAL 91 -7.682 1.731 1.690 640 HG13 VAL 91 3HG1 VAL 91 -7.931 3.436 2.068 641 HG21 VAL 91 3HG2 VAL 91 -4.269 1.779 3.192 642 HG22 VAL 91 1HG2 VAL 91 -4.754 2.282 1.573 643 HG23 VAL 91 2HG2 VAL 91 -4.363 3.494 2.794 644 H ILE 92 H ILE 92 -8.012 5.723 4.194 645 HA ILE 92 HA ILE 92 -10.294 4.245 5.289 646 HB ILE 92 HB ILE 92 -9.862 7.227 5.075 647 HG12 ILE 92 1HG1 ILE 92 -9.959 5.735 7.661 648 HG13 ILE 92 2HG1 ILE 92 -8.475 5.676 6.716 649 HG21 ILE 92 1HG2 ILE 92 -12.084 7.295 5.310 650 HG22 ILE 92 2HG2 ILE 92 -12.181 5.592 5.756 651 HG23 ILE 92 3HG2 ILE 92 -11.785 6.802 6.977 652 HD11 ILE 92 3HD1 ILE 92 -8.799 8.285 6.679 653 HD12 ILE 92 1HD1 ILE 92 -9.735 7.955 8.136 654 HD13 ILE 92 2HD1 ILE 92 -8.042 7.469 8.046 655 H VAL 93 H VAL 93 -12.162 3.976 4.207 656 HA VAL 93 HA VAL 93 -12.365 5.203 1.533 657 HB VAL 93 HB VAL 93 -13.408 2.530 2.477 658 HG11 VAL 93 1HG1 VAL 93 -13.706 2.669 -0.272 659 HG12 VAL 93 2HG1 VAL 93 -14.994 2.776 0.930 660 HG13 VAL 93 3HG1 VAL 93 -14.252 4.246 0.297 661 HG21 VAL 93 3HG2 VAL 93 -10.900 3.166 1.609 662 HG22 VAL 93 1HG2 VAL 93 -11.641 1.570 1.484 663 HG23 VAL 93 2HG2 VAL 93 -11.689 2.676 0.110 664 H LYS 94 H LYS 94 -14.163 6.317 1.025 665 HA LYS 94 HA LYS 94 -16.318 6.392 3.034 666 HB2 LYS 94 1HB LYS 94 -14.989 8.513 1.426 667 HB3 LYS 94 2HB LYS 94 -16.712 8.692 1.730 668 HG2 LYS 94 1HG LYS 94 -15.636 9.874 3.446 669 HG3 LYS 94 2HG LYS 94 -16.177 8.363 4.181 670 HD2 LYS 94 1HD LYS 94 -13.970 7.440 4.060 671 HD3 LYS 94 2HD LYS 94 -13.396 8.808 3.104 672 HE2 LYS 94 1HE LYS 94 -12.626 9.267 5.257 673 HE3 LYS 94 2HE LYS 94 -14.085 10.246 5.113 674 HZ1 LYS 94 3HZ LYS 94 -15.081 9.111 6.734 675 HZ2 LYS 94 1HZ LYS 94 -13.547 8.515 7.124 676 HZ3 LYS 94 2HZ LYS 94 -14.580 7.609 6.139 677 H GLU 95 H GLU 95 -18.412 7.346 1.945 678 HA GLU 95 HA GLU 95 -18.912 5.705 -0.446 679 HB2 GLU 95 1HB GLU 95 -21.278 5.722 0.235 680 HB3 GLU 95 2HB GLU 95 -20.241 5.035 1.477 681 HG2 GLU 95 1HG GLU 95 -20.448 6.912 2.853 682 HG3 GLU 95 2HG GLU 95 -21.069 7.913 1.542 683 H GLU 96 H GLU 96 -20.428 6.545 -2.033 684 HA GLU 96 HA GLU 96 -19.778 9.132 -2.890 685 HB2 GLU 96 1HB GLU 96 -20.556 7.340 -4.395 686 HB3 GLU 96 2HB GLU 96 -22.158 7.444 -3.680 687 HG2 GLU 96 1HG GLU 96 -22.317 9.779 -4.459 688 HG3 GLU 96 2HG GLU 96 -20.753 9.591 -5.251 689 H SER 97 H SER 97 -20.506 11.066 -2.316 690 HA SER 97 HA SER 97 -22.976 11.210 -0.722 691 HB2 SER 97 1HB SER 97 -20.785 11.970 0.317 692 HB3 SER 97 2HB SER 97 -20.798 13.301 -0.840 693 HG SER 97 HG SER 97 -21.789 13.621 1.347 694 H GLY 98 H GLY 98 -24.617 12.559 -1.300 695 HA2 GLY 98 1HA GLY 98 -25.848 14.037 -2.567 696 HA3 GLY 98 2HA GLY 98 -24.335 14.653 -3.215 697 HA PRO 99 HA PRO 99 -26.729 11.709 -6.187 698 HB2 PRO 99 1HB PRO 99 -28.384 13.454 -7.447 699 HB3 PRO 99 2HB PRO 99 -28.868 12.531 -6.019 700 HG2 PRO 99 1HG PRO 99 -27.933 15.369 -6.214 701 HG3 PRO 99 2HG PRO 99 -29.266 14.693 -5.260 702 HD2 PRO 99 1HD PRO 99 -26.853 15.281 -4.181 703 HD3 PRO 99 2HD PRO 99 -27.860 13.940 -3.596 704 H SER 100 H SER 100 -24.563 11.796 -7.050 705 HA SER 100 HA SER 100 -23.019 12.238 -8.660 706 HB2 SER 100 1HB SER 100 -24.833 11.744 -10.204 707 HB3 SER 100 2HB SER 100 -25.437 13.396 -10.069 708 HG SER 100 HG SER 100 -24.171 13.120 -11.945 709 H SER 101 H SER 101 -23.549 14.212 -6.545 710 HA SER 101 HA SER 101 -22.982 16.334 -5.934 711 HB2 SER 101 1HB SER 101 -20.926 17.178 -6.840 712 HB3 SER 101 2HB SER 101 -20.789 15.421 -6.786 713 HG SER 101 HG SER 101 -21.175 15.346 -8.984 714 H GLY 102 H GLY 102 -25.307 16.490 -7.133 715 HA2 GLY 102 1HA GLY 102 -25.340 19.097 -8.260 716 HA3 GLY 102 2HA GLY 102 -25.592 17.889 -9.512 Start of MODEL 18 1 H1 GLY 1 H GLY 1 26.314 6.097 20.504 2 HA2 GLY 1 1HA GLY 1 26.699 6.677 18.281 3 HA3 GLY 1 2HA GLY 1 26.669 4.972 17.857 4 H SER 2 H SER 2 25.041 4.408 16.594 5 HA SER 2 HA SER 2 22.456 5.774 16.933 6 HB2 SER 2 1HB SER 2 22.177 5.582 14.429 7 HB3 SER 2 2HB SER 2 23.407 6.733 14.953 8 HG SER 2 HG SER 2 23.672 4.491 13.449 9 H SER 3 H SER 3 24.121 2.939 15.598 10 HA SER 3 HA SER 3 23.296 0.852 15.050 11 HB2 SER 3 1HB SER 3 22.702 -0.387 17.022 12 HB3 SER 3 2HB SER 3 23.894 0.822 17.498 13 HG SER 3 HG SER 3 21.719 0.481 18.707 14 H GLY 4 H GLY 4 21.569 2.772 14.016 15 HA2 GLY 4 1HA GLY 4 18.972 1.412 14.364 16 HA3 GLY 4 2HA GLY 4 19.076 3.164 14.266 17 H SER 5 H SER 5 17.652 1.249 12.547 18 HA SER 5 HA SER 5 19.084 1.223 10.042 19 HB2 SER 5 1HB SER 5 17.256 -0.451 10.975 20 HB3 SER 5 2HB SER 5 16.148 0.680 10.199 21 HG SER 5 HG SER 5 17.509 0.389 8.280 22 H SER 6 H SER 6 19.352 3.092 9.008 23 HA SER 6 HA SER 6 17.594 5.312 9.264 24 HB2 SER 6 1HB SER 6 18.993 6.356 7.532 25 HB3 SER 6 2HB SER 6 19.987 5.593 8.773 26 HG SER 6 HG SER 6 20.889 4.685 7.096 27 H GLY 7 H GLY 7 18.393 3.342 6.392 28 HA2 GLY 7 1HA GLY 7 16.217 4.337 4.863 29 HA3 GLY 7 2HA GLY 7 17.189 2.925 4.478 30 H GLN 8 H GLN 8 14.134 3.876 5.014 31 HA GLN 8 HA GLN 8 13.335 1.183 5.860 32 HB2 GLN 8 1HB GLN 8 11.462 2.245 7.177 33 HB3 GLN 8 2HB GLN 8 13.071 2.441 7.860 34 HG2 GLN 8 1HG GLN 8 12.284 4.557 8.104 35 HG3 GLN 8 2HG GLN 8 13.008 4.692 6.503 36 HE21 GLN 8 1HE2 GLN 8 11.793 5.778 5.149 37 HE22 GLN 8 2HE2 GLN 8 10.067 5.778 5.093 38 H ALA 9 H ALA 9 10.746 1.143 5.639 39 HA ALA 9 HA ALA 9 10.269 1.540 2.832 40 HB1 ALA 9 3HB ALA 9 8.037 0.758 4.608 41 HB2 ALA 9 1HB ALA 9 8.549 0.083 3.061 42 HB3 ALA 9 2HB ALA 9 9.421 -0.331 4.537 43 H ASP 10 H ASP 10 8.877 2.956 1.855 44 HA ASP 10 HA ASP 10 7.706 5.039 3.581 45 HB2 ASP 10 1HB ASP 10 9.566 5.971 2.344 46 HB3 ASP 10 2HB ASP 10 8.935 5.322 0.833 47 H ALA 11 H ALA 11 5.884 3.416 3.505 48 HA ALA 11 HA ALA 11 4.424 2.680 1.319 49 HB1 ALA 11 3HB ALA 11 3.899 3.024 4.141 50 HB2 ALA 11 1HB ALA 11 2.471 3.376 3.166 51 HB3 ALA 11 2HB ALA 11 3.278 1.814 3.018 52 H GLY 12 H GLY 12 4.496 5.839 2.876 53 HA2 GLY 12 1HA GLY 12 4.164 7.790 1.455 54 HA3 GLY 12 2HA GLY 12 2.916 6.885 0.611 55 HA PRO 13 HA PRO 13 0.979 9.667 3.832 56 HB2 PRO 13 1HB PRO 13 -0.690 10.946 2.115 57 HB3 PRO 13 2HB PRO 13 0.956 11.499 2.445 58 HG2 PRO 13 1HG PRO 13 -0.077 9.900 0.135 59 HG3 PRO 13 2HG PRO 13 1.066 11.256 0.135 60 HD2 PRO 13 1HD PRO 13 1.866 8.675 -0.044 61 HD3 PRO 13 2HD PRO 13 2.840 9.923 0.760 62 H ASP 14 H ASP 14 -1.360 9.805 4.363 63 HA ASP 14 HA ASP 14 -2.574 7.308 4.423 64 HB2 ASP 14 1HB ASP 14 -4.526 8.419 5.308 65 HB3 ASP 14 2HB ASP 14 -3.091 9.210 5.954 66 H LYS 15 H LYS 15 -4.826 6.842 3.568 67 HA LYS 15 HA LYS 15 -5.106 7.792 0.796 68 HB2 LYS 15 1HB LYS 15 -5.355 4.953 1.801 69 HB3 LYS 15 2HB LYS 15 -5.853 5.477 0.197 70 HG2 LYS 15 1HG LYS 15 -3.068 6.037 1.081 71 HG3 LYS 15 2HG LYS 15 -3.501 4.393 0.606 72 HD2 LYS 15 1HD LYS 15 -4.010 5.030 -1.578 73 HD3 LYS 15 2HD LYS 15 -4.191 6.730 -1.141 74 HE2 LYS 15 1HE LYS 15 -1.580 5.228 -1.045 75 HE3 LYS 15 2HE LYS 15 -2.109 6.198 -2.419 76 HZ1 LYS 15 3HZ LYS 15 -0.952 7.777 -1.325 77 HZ2 LYS 15 1HZ LYS 15 -1.139 7.048 0.190 78 HZ3 LYS 15 2HZ LYS 15 -2.400 7.961 -0.470 79 H GLU 16 H GLU 16 -7.036 8.638 0.394 80 HA GLU 16 HA GLU 16 -9.338 7.712 1.978 81 HB2 GLU 16 1HB GLU 16 -8.284 10.092 2.457 82 HB3 GLU 16 2HB GLU 16 -9.221 10.543 1.040 83 HG2 GLU 16 1HG GLU 16 -11.246 9.665 2.143 84 HG3 GLU 16 2HG GLU 16 -10.283 9.331 3.581 85 H LEU 17 H LEU 17 -10.437 6.531 0.524 86 HA LEU 17 HA LEU 17 -10.822 7.608 -2.177 87 HB2 LEU 17 1HB LEU 17 -11.512 4.865 -1.142 88 HB3 LEU 17 2HB LEU 17 -11.498 5.394 -2.823 89 HG LEU 17 HG LEU 17 -9.002 5.356 -1.150 90 HD11 LEU 17 1HD1 LEU 17 -10.393 3.098 -1.514 91 HD12 LEU 17 2HD1 LEU 17 -8.631 3.157 -1.511 92 HD13 LEU 17 3HD1 LEU 17 -9.509 3.145 -3.040 93 HD21 LEU 17 3HD2 LEU 17 -9.331 6.573 -3.444 94 HD22 LEU 17 1HD2 LEU 17 -9.165 4.943 -4.099 95 HD23 LEU 17 2HD2 LEU 17 -7.867 5.640 -3.128 96 H THR 18 H THR 18 -12.978 7.378 -3.154 97 HA THR 18 HA THR 18 -15.183 7.425 -1.220 98 HB THR 18 HB THR 18 -14.848 9.515 -3.378 99 HG1 THR 18 1HG THR 18 -14.170 9.462 -0.654 100 HG21 THR 18 3HG2 THR 18 -16.947 10.161 -2.953 101 HG22 THR 18 1HG2 THR 18 -16.710 10.052 -1.209 102 HG23 THR 18 2HG2 THR 18 -17.147 8.614 -2.131 103 H LEU 19 H LEU 19 -16.466 5.818 -1.850 104 HA LEU 19 HA LEU 19 -16.563 4.415 -4.142 105 HB2 LEU 19 1HB LEU 19 -18.781 5.223 -2.296 106 HB3 LEU 19 2HB LEU 19 -19.092 4.191 -3.690 107 HG LEU 19 HG LEU 19 -17.127 3.511 -1.507 108 HD11 LEU 19 1HD1 LEU 19 -19.808 3.676 -1.127 109 HD12 LEU 19 2HD1 LEU 19 -18.740 2.562 -0.273 110 HD13 LEU 19 3HD1 LEU 19 -19.641 2.011 -1.685 111 HD21 LEU 19 3HD2 LEU 19 -18.410 1.480 -3.232 112 HD22 LEU 19 1HD2 LEU 19 -16.775 1.545 -2.574 113 HD23 LEU 19 2HD2 LEU 19 -17.196 2.514 -3.987 114 HA PRO 20 HA PRO 20 -18.374 3.372 -5.352 115 HB2 PRO 20 1HB PRO 20 -18.041 2.831 -7.991 116 HB3 PRO 20 2HB PRO 20 -19.596 3.302 -7.296 117 HG2 PRO 20 1HG PRO 20 -17.596 4.973 -8.768 118 HG3 PRO 20 2HG PRO 20 -19.362 4.950 -8.920 119 HD2 PRO 20 1HD PRO 20 -18.046 6.846 -7.502 120 HD3 PRO 20 2HD PRO 20 -19.665 6.271 -7.055 121 H VAL 21 H VAL 21 -15.872 5.453 -6.097 122 HA VAL 21 HA VAL 21 -13.867 3.886 -7.183 123 HB VAL 21 HB VAL 21 -13.506 5.982 -5.036 124 HG11 VAL 21 1HG1 VAL 21 -11.653 4.522 -6.837 125 HG12 VAL 21 2HG1 VAL 21 -11.332 6.231 -6.537 126 HG13 VAL 21 3HG1 VAL 21 -11.412 5.097 -5.188 127 HG21 VAL 21 3HG2 VAL 21 -13.807 7.615 -6.559 128 HG22 VAL 21 1HG2 VAL 21 -13.076 6.678 -7.862 129 HG23 VAL 21 2HG2 VAL 21 -14.754 6.389 -7.402 130 H ASP 22 H ASP 22 -13.891 1.781 -6.420 131 HA ASP 22 HA ASP 22 -13.142 1.418 -3.594 132 HB2 ASP 22 1HB ASP 22 -14.028 -0.866 -3.792 133 HB3 ASP 22 2HB ASP 22 -15.258 0.334 -4.184 134 H SER 23 H SER 23 -11.249 2.138 -5.596 135 HA SER 23 HA SER 23 -9.425 -0.106 -5.308 136 HB2 SER 23 1HB SER 23 -8.830 -0.212 -7.653 137 HB3 SER 23 2HB SER 23 -10.569 -0.461 -7.501 138 HG SER 23 HG SER 23 -9.579 1.164 -9.115 139 H THR 24 H THR 24 -7.403 0.558 -4.905 140 HA THR 24 HA THR 24 -6.634 3.295 -5.641 141 HB THR 24 HB THR 24 -7.385 3.252 -3.253 142 HG1 THR 24 1HG THR 24 -4.617 3.715 -3.205 143 HG21 THR 24 3HG2 THR 24 -5.818 2.205 -1.617 144 HG22 THR 24 1HG2 THR 24 -5.020 1.397 -2.966 145 HG23 THR 24 2HG2 THR 24 -6.707 1.039 -2.597 146 H THR 25 H THR 25 -4.198 3.605 -5.101 147 HA THR 25 HA THR 25 -2.735 1.141 -5.785 148 HB THR 25 HB THR 25 -1.197 2.533 -7.169 149 HG1 THR 25 1HG THR 25 -1.494 4.630 -7.292 150 HG21 THR 25 3HG2 THR 25 -3.274 1.253 -8.023 151 HG22 THR 25 1HG2 THR 25 -2.507 2.423 -9.096 152 HG23 THR 25 2HG2 THR 25 -3.984 2.854 -8.233 153 H LEU 26 H LEU 26 -1.248 0.657 -4.321 154 HA LEU 26 HA LEU 26 -0.299 2.748 -2.506 155 HB2 LEU 26 1HB LEU 26 0.064 -0.239 -2.330 156 HB3 LEU 26 2HB LEU 26 0.456 0.942 -1.082 157 HG LEU 26 HG LEU 26 -2.359 0.606 -2.063 158 HD11 LEU 26 1HD1 LEU 26 -0.774 -1.255 -0.437 159 HD12 LEU 26 2HD1 LEU 26 -2.264 -1.517 -1.343 160 HD13 LEU 26 3HD1 LEU 26 -2.325 -0.786 0.260 161 HD21 LEU 26 3HD2 LEU 26 -2.909 1.960 -0.362 162 HD22 LEU 26 1HD2 LEU 26 -1.208 2.424 -0.394 163 HD23 LEU 26 2HD2 LEU 26 -1.765 1.199 0.745 164 H ASP 27 H ASP 27 1.190 3.754 -3.899 165 HA ASP 27 HA ASP 27 3.388 2.177 -4.964 166 HB2 ASP 27 1HB ASP 27 4.079 4.183 -6.090 167 HB3 ASP 27 2HB ASP 27 2.332 4.045 -6.265 168 H GLY 28 H GLY 28 4.931 1.607 -3.571 169 HA2 GLY 28 1HA GLY 28 5.792 3.596 -1.564 170 HA3 GLY 28 2HA GLY 28 5.902 1.856 -1.343 171 H SER 29 H SER 29 6.770 3.628 -4.262 172 HA SER 29 HA SER 29 9.464 2.518 -4.066 173 HB2 SER 29 1HB SER 29 7.858 2.534 -6.177 174 HB3 SER 29 2HB SER 29 8.571 4.129 -6.419 175 HG SER 29 HG SER 29 10.621 2.717 -5.953 176 H LYS 30 H LYS 30 8.965 4.526 -2.227 177 HA LYS 30 HA LYS 30 10.580 6.750 -3.292 178 HB2 LYS 30 1HB LYS 30 8.269 6.760 -1.372 179 HB3 LYS 30 2HB LYS 30 9.457 8.056 -1.353 180 HG2 LYS 30 1HG LYS 30 8.918 8.092 -3.944 181 HG3 LYS 30 2HG LYS 30 7.397 7.395 -3.379 182 HD2 LYS 30 1HD LYS 30 6.873 9.613 -3.235 183 HD3 LYS 30 2HD LYS 30 7.563 9.374 -1.628 184 HE2 LYS 30 1HE LYS 30 9.500 10.498 -2.145 185 HE3 LYS 30 2HE LYS 30 9.367 10.151 -3.868 186 HZ1 LYS 30 3HZ LYS 30 7.182 11.680 -3.352 187 HZ2 LYS 30 1HZ LYS 30 8.627 12.228 -4.041 188 HZ3 LYS 30 2HZ LYS 30 8.370 12.386 -2.377 189 H SER 31 H SER 31 11.585 4.318 -2.138 190 HA SER 31 HA SER 31 12.373 4.889 0.573 191 HB2 SER 31 1HB SER 31 12.016 2.565 -0.325 192 HB3 SER 31 2HB SER 31 13.486 2.770 -1.277 193 HG SER 31 HG SER 31 14.307 3.407 1.018 194 H SER 32 H SER 32 14.437 5.403 1.309 195 HA SER 32 HA SER 32 15.859 7.366 0.151 196 HB2 SER 32 1HB SER 32 16.739 5.148 1.970 197 HB3 SER 32 2HB SER 32 17.919 6.318 1.379 198 HG SER 32 HG SER 32 15.522 6.938 2.771 199 H ASP 33 H ASP 33 17.579 7.620 -1.247 200 HA ASP 33 HA ASP 33 17.782 5.710 -3.352 201 HB2 ASP 33 1HB ASP 33 19.079 8.342 -2.745 202 HB3 ASP 33 2HB ASP 33 19.735 7.327 -4.026 203 H ASP 34 H ASP 34 20.122 6.895 -0.941 204 HA ASP 34 HA ASP 34 22.365 5.540 -1.507 205 HB2 ASP 34 1HB ASP 34 21.847 6.956 0.560 206 HB3 ASP 34 2HB ASP 34 21.262 5.467 1.298 207 H GLN 35 H GLN 35 19.692 4.103 0.367 208 HA GLN 35 HA GLN 35 20.823 1.449 -0.163 209 HB2 GLN 35 1HB GLN 35 18.699 2.327 1.801 210 HB3 GLN 35 2HB GLN 35 19.261 0.673 1.602 211 HG2 GLN 35 1HG GLN 35 21.119 2.919 2.309 212 HG3 GLN 35 2HG GLN 35 20.229 2.007 3.528 213 HE21 GLN 35 1HE2 GLN 35 22.762 1.921 1.161 214 HE22 GLN 35 2HE2 GLN 35 23.458 0.420 1.659 215 H LYS 36 H LYS 36 20.024 1.824 -2.435 216 HA LYS 36 HA LYS 36 17.373 2.003 -3.181 217 HB2 LYS 36 1HB LYS 36 19.804 0.804 -4.414 218 HB3 LYS 36 2HB LYS 36 18.247 0.408 -5.130 219 HG2 LYS 36 1HG LYS 36 17.794 2.679 -5.622 220 HG3 LYS 36 2HG LYS 36 19.150 3.232 -4.637 221 HD2 LYS 36 1HD LYS 36 20.049 3.379 -6.751 222 HD3 LYS 36 2HD LYS 36 20.554 1.754 -6.283 223 HE2 LYS 36 1HE LYS 36 19.702 1.602 -8.493 224 HE3 LYS 36 2HE LYS 36 18.487 0.897 -7.428 225 HZ1 LYS 36 3HZ LYS 36 18.430 3.569 -8.710 226 HZ2 LYS 36 1HZ LYS 36 17.361 3.113 -7.481 227 HZ3 LYS 36 2HZ LYS 36 17.360 2.282 -8.954 228 H ILE 37 H ILE 37 15.735 0.838 -2.418 229 HA ILE 37 HA ILE 37 15.840 -1.623 -1.175 230 HB ILE 37 HB ILE 37 13.602 -0.270 -2.658 231 HG12 ILE 37 1HG1 ILE 37 14.277 0.760 -0.561 232 HG13 ILE 37 2HG1 ILE 37 12.703 -0.003 -0.363 233 HG21 ILE 37 1HG2 ILE 37 12.161 -2.011 -1.411 234 HG22 ILE 37 2HG2 ILE 37 12.948 -2.482 -2.916 235 HG23 ILE 37 3HG2 ILE 37 13.639 -2.971 -1.369 236 HD11 ILE 37 3HD1 ILE 37 13.919 -0.509 1.576 237 HD12 ILE 37 1HD1 ILE 37 13.940 -1.982 0.607 238 HD13 ILE 37 2HD1 ILE 37 15.362 -0.939 0.658 239 H ILE 38 H ILE 38 15.478 -3.746 -1.807 240 HA ILE 38 HA ILE 38 15.663 -4.258 -4.705 241 HB ILE 38 HB ILE 38 16.904 -6.349 -4.115 242 HG12 ILE 38 1HG1 ILE 38 17.358 -5.058 -1.428 243 HG13 ILE 38 2HG1 ILE 38 16.099 -6.262 -1.686 244 HG21 ILE 38 1HG2 ILE 38 17.995 -4.248 -4.893 245 HG22 ILE 38 2HG2 ILE 38 18.288 -3.833 -3.205 246 HG23 ILE 38 3HG2 ILE 38 19.032 -5.272 -3.900 247 HD11 ILE 38 3HD1 ILE 38 18.854 -6.934 -2.545 248 HD12 ILE 38 1HD1 ILE 38 18.501 -6.910 -0.818 249 HD13 ILE 38 2HD1 ILE 38 17.584 -7.968 -1.890 250 H SER 39 H SER 39 13.969 -4.797 -1.813 251 HA SER 39 HA SER 39 12.398 -6.931 -3.103 252 HB2 SER 39 1HB SER 39 13.809 -7.553 -1.019 253 HB3 SER 39 2HB SER 39 12.597 -6.646 -0.113 254 HG SER 39 HG SER 39 12.441 -9.135 -0.907 255 H TYR 40 H TYR 40 10.158 -6.861 -2.856 256 HA TYR 40 HA TYR 40 8.995 -4.578 -1.457 257 HB2 TYR 40 1HB TYR 40 8.634 -5.118 -4.408 258 HB3 TYR 40 2HB TYR 40 7.592 -4.047 -3.477 259 HD1 TYR 40 1HD TYR 40 9.031 -2.274 -2.006 260 HD2 TYR 40 2HD TYR 40 10.284 -4.098 -5.641 261 HE1 TYR 40 1HE TYR 40 10.592 -0.413 -2.395 262 HE2 TYR 40 2HE TYR 40 11.849 -2.242 -6.039 263 HH TYR 40 HH TYR 40 13.055 -0.527 -4.680 264 H LEU 41 H LEU 41 7.357 -5.284 -0.276 265 HA LEU 41 HA LEU 41 5.625 -7.396 -1.340 266 HB2 LEU 41 1HB LEU 41 7.085 -8.609 0.073 267 HB3 LEU 41 2HB LEU 41 7.001 -7.379 1.332 268 HG LEU 41 HG LEU 41 5.783 -9.483 1.866 269 HD11 LEU 41 1HD1 LEU 41 5.118 -6.914 2.432 270 HD12 LEU 41 2HD1 LEU 41 4.329 -8.330 3.124 271 HD13 LEU 41 3HD1 LEU 41 3.614 -7.514 1.734 272 HD21 LEU 41 3HD2 LEU 41 3.406 -8.993 0.395 273 HD22 LEU 41 1HD2 LEU 41 4.441 -10.421 0.373 274 HD23 LEU 41 2HD2 LEU 41 4.747 -9.093 -0.747 275 H TRP 42 H TRP 42 3.491 -7.189 -0.836 276 HA TRP 42 HA TRP 42 2.741 -5.026 1.013 277 HB2 TRP 42 1HB TRP 42 1.816 -5.494 -1.805 278 HB3 TRP 42 2HB TRP 42 0.763 -4.687 -0.647 279 HD1 TRP 42 HD TRP 42 3.839 -4.128 -2.784 280 HE1 TRP 42 1HE TRP 42 4.535 -1.654 -2.635 281 HE3 TRP 42 3HE TRP 42 0.749 -2.642 1.009 282 HZ2 TRP 42 2HZ TRP 42 3.863 0.625 -1.111 283 HZ3 TRP 42 3HZ TRP 42 0.838 -0.298 1.753 284 HH2 TRP 42 HH TRP 42 2.364 1.300 0.714 285 H GLU 43 H GLU 43 1.732 -5.964 2.662 286 HA GLU 43 HA GLU 43 -0.346 -7.957 2.067 287 HB2 GLU 43 1HB GLU 43 1.838 -8.122 4.131 288 HB3 GLU 43 2HB GLU 43 0.338 -9.021 4.308 289 HG2 GLU 43 1HG GLU 43 2.065 -9.234 1.864 290 HG3 GLU 43 2HG GLU 43 2.294 -10.251 3.285 291 H LYS 44 H LYS 44 -2.226 -7.719 3.157 292 HA LYS 44 HA LYS 44 -2.646 -5.269 4.588 293 HB2 LYS 44 1HB LYS 44 -4.391 -6.056 3.128 294 HB3 LYS 44 2HB LYS 44 -4.465 -7.599 3.968 295 HG2 LYS 44 1HG LYS 44 -5.654 -6.750 5.718 296 HG3 LYS 44 2HG LYS 44 -4.975 -5.131 5.538 297 HD2 LYS 44 1HD LYS 44 -7.091 -4.752 4.760 298 HD3 LYS 44 2HD LYS 44 -6.300 -5.215 3.252 299 HE2 LYS 44 1HE LYS 44 -7.244 -7.350 3.278 300 HE3 LYS 44 2HE LYS 44 -7.627 -7.261 4.996 301 HZ1 LYS 44 3HZ LYS 44 -8.934 -5.651 2.870 302 HZ2 LYS 44 1HZ LYS 44 -9.324 -5.632 4.516 303 HZ3 LYS 44 2HZ LYS 44 -9.598 -7.026 3.599 304 H THR 45 H THR 45 -2.373 -4.966 6.690 305 HA THR 45 HA THR 45 -1.972 -7.244 8.446 306 HB THR 45 HB THR 45 -1.688 -5.222 10.143 307 HG1 THR 45 1HG THR 45 -0.815 -3.411 8.942 308 HG21 THR 45 3HG2 THR 45 0.165 -6.587 9.776 309 HG22 THR 45 1HG2 THR 45 0.722 -5.008 9.223 310 HG23 THR 45 2HG2 THR 45 0.214 -6.224 8.051 311 H GLN 46 H GLN 46 -4.119 -4.414 8.265 312 HA GLN 46 HA GLN 46 -6.034 -5.881 9.953 313 HB2 GLN 46 1HB GLN 46 -4.997 -3.110 10.218 314 HB3 GLN 46 2HB GLN 46 -6.709 -3.355 10.538 315 HG2 GLN 46 1HG GLN 46 -6.269 -4.845 12.308 316 HG3 GLN 46 2HG GLN 46 -4.573 -5.001 11.854 317 HE21 GLN 46 1HE2 GLN 46 -6.529 -3.718 14.081 318 HE22 GLN 46 2HE2 GLN 46 -5.595 -2.351 14.574 319 H GLY 47 H GLY 47 -8.300 -5.070 9.704 320 HA2 GLY 47 1HA GLY 47 -9.849 -3.788 8.302 321 HA3 GLY 47 2HA GLY 47 -8.773 -4.109 6.950 322 HA PRO 48 HA PRO 48 -12.250 -7.324 7.345 323 HB2 PRO 48 1HB PRO 48 -13.750 -6.519 5.230 324 HB3 PRO 48 2HB PRO 48 -14.005 -5.919 6.872 325 HG2 PRO 48 1HG PRO 48 -12.541 -4.642 4.595 326 HG3 PRO 48 2HG PRO 48 -13.665 -3.908 5.754 327 HD2 PRO 48 1HD PRO 48 -10.977 -3.674 5.983 328 HD3 PRO 48 2HD PRO 48 -12.055 -3.728 7.393 329 H ASP 49 H ASP 49 -11.300 -9.104 6.568 330 HA ASP 49 HA ASP 49 -9.649 -9.241 4.313 331 HB2 ASP 49 1HB ASP 49 -11.026 -11.244 6.043 332 HB3 ASP 49 2HB ASP 49 -10.353 -11.795 4.511 333 H GLY 50 H GLY 50 -10.011 -9.533 2.191 334 HA2 GLY 50 1HA GLY 50 -11.913 -10.883 0.847 335 HA3 GLY 50 2HA GLY 50 -12.748 -9.391 1.252 336 H VAL 51 H VAL 51 -10.641 -7.577 0.987 337 HA VAL 51 HA VAL 51 -10.744 -6.903 -1.685 338 HB VAL 51 HB VAL 51 -9.039 -5.300 -1.287 339 HG11 VAL 51 1HG1 VAL 51 -10.376 -5.712 1.382 340 HG12 VAL 51 2HG1 VAL 51 -9.811 -4.193 0.683 341 HG13 VAL 51 3HG1 VAL 51 -11.187 -5.036 -0.031 342 HG21 VAL 51 3HG2 VAL 51 -8.175 -7.153 0.909 343 HG22 VAL 51 1HG2 VAL 51 -7.233 -6.514 -0.438 344 HG23 VAL 51 2HG2 VAL 51 -7.695 -5.456 0.895 345 H GLN 52 H GLN 52 -8.967 -6.792 -3.273 346 HA GLN 52 HA GLN 52 -7.294 -9.215 -3.174 347 HB2 GLN 52 1HB GLN 52 -8.943 -8.034 -5.355 348 HB3 GLN 52 2HB GLN 52 -7.435 -8.820 -5.802 349 HG2 GLN 52 1HG GLN 52 -9.537 -10.152 -4.121 350 HG3 GLN 52 2HG GLN 52 -9.501 -10.250 -5.881 351 HE21 GLN 52 1HE2 GLN 52 -9.141 -12.267 -3.696 352 HE22 GLN 52 2HE2 GLN 52 -7.656 -13.062 -4.077 353 H LEU 53 H LEU 53 -5.184 -8.851 -3.133 354 HA LEU 53 HA LEU 53 -4.185 -6.207 -3.893 355 HB2 LEU 53 1HB LEU 53 -3.306 -8.343 -2.050 356 HB3 LEU 53 2HB LEU 53 -2.032 -7.428 -2.853 357 HG LEU 53 HG LEU 53 -4.188 -5.899 -1.494 358 HD11 LEU 53 1HD1 LEU 53 -3.376 -7.861 -0.011 359 HD12 LEU 53 2HD1 LEU 53 -3.416 -6.231 0.660 360 HD13 LEU 53 3HD1 LEU 53 -1.888 -6.923 0.119 361 HD21 LEU 53 3HD2 LEU 53 -2.624 -4.241 -1.398 362 HD22 LEU 53 1HD2 LEU 53 -2.040 -5.108 -2.818 363 HD23 LEU 53 2HD2 LEU 53 -1.274 -5.367 -1.251 364 H GLU 54 H GLU 54 -3.338 -5.945 -5.841 365 HA GLU 54 HA GLU 54 -2.279 -8.290 -7.257 366 HB2 GLU 54 1HB GLU 54 -3.558 -5.745 -8.121 367 HB3 GLU 54 2HB GLU 54 -2.356 -6.454 -9.190 368 HG2 GLU 54 1HG GLU 54 -3.648 -8.265 -9.680 369 HG3 GLU 54 2HG GLU 54 -4.501 -8.213 -8.138 370 H ASN 55 H ASN 55 -0.231 -8.316 -8.123 371 HA ASN 55 HA ASN 55 2.005 -7.893 -8.185 372 HB2 ASN 55 1HB ASN 55 0.721 -5.256 -8.701 373 HB3 ASN 55 2HB ASN 55 2.454 -5.266 -8.385 374 HD21 ASN 55 1HD2 ASN 55 -0.038 -5.981 -10.615 375 HD22 ASN 55 2HD2 ASN 55 0.967 -6.521 -11.912 376 H ALA 56 H ALA 56 0.644 -7.966 -5.568 377 HA ALA 56 HA ALA 56 1.490 -6.096 -3.738 378 HB1 ALA 56 3HB ALA 56 1.183 -7.733 -2.052 379 HB2 ALA 56 1HB ALA 56 0.013 -8.093 -3.322 380 HB3 ALA 56 2HB ALA 56 1.486 -9.053 -3.181 381 H ASN 57 H ASN 57 3.350 -8.614 -5.299 382 HA ASN 57 HA ASN 57 5.651 -8.201 -3.584 383 HB2 ASN 57 1HB ASN 57 4.963 -10.059 -5.820 384 HB3 ASN 57 2HB ASN 57 6.663 -9.778 -5.456 385 HD21 ASN 57 1HD2 ASN 57 3.959 -11.578 -4.716 386 HD22 ASN 57 2HD2 ASN 57 4.504 -12.281 -3.235 387 H SER 58 H SER 58 4.749 -5.900 -5.011 388 HA SER 58 HA SER 58 7.198 -5.310 -6.499 389 HB2 SER 58 1HB SER 58 5.249 -5.933 -8.063 390 HB3 SER 58 2HB SER 58 4.532 -4.399 -7.569 391 HG SER 58 HG SER 58 5.869 -3.412 -8.844 392 H SER 59 H SER 59 7.355 -2.899 -6.945 393 HA SER 59 HA SER 59 7.204 -1.497 -4.522 394 HB2 SER 59 1HB SER 59 7.931 0.448 -5.784 395 HB3 SER 59 2HB SER 59 8.796 -0.976 -6.364 396 HG SER 59 HG SER 59 7.022 -1.051 -7.999 397 H VAL 60 H VAL 60 5.098 -1.495 -7.356 398 HA VAL 60 HA VAL 60 3.195 0.196 -5.870 399 HB VAL 60 HB VAL 60 3.380 -0.188 -8.861 400 HG11 VAL 60 1HG1 VAL 60 1.115 0.249 -8.224 401 HG12 VAL 60 2HG1 VAL 60 1.615 1.560 -7.153 402 HG13 VAL 60 3HG1 VAL 60 1.787 1.733 -8.900 403 HG21 VAL 60 3HG2 VAL 60 4.503 1.851 -7.007 404 HG22 VAL 60 1HG2 VAL 60 5.193 1.153 -8.472 405 HG23 VAL 60 2HG2 VAL 60 3.928 2.377 -8.589 406 H ALA 61 H ALA 61 1.495 -0.851 -5.098 407 HA ALA 61 HA ALA 61 0.564 -3.267 -6.507 408 HB1 ALA 61 3HB ALA 61 1.259 -4.048 -4.442 409 HB2 ALA 61 1HB ALA 61 0.710 -2.601 -3.595 410 HB3 ALA 61 2HB ALA 61 -0.465 -3.778 -4.184 411 H THR 62 H THR 62 -1.765 -3.712 -6.332 412 HA THR 62 HA THR 62 -3.387 -1.274 -6.042 413 HB THR 62 HB THR 62 -3.593 -3.278 -8.297 414 HG1 THR 62 1HG THR 62 -2.615 -0.645 -8.067 415 HG21 THR 62 3HG2 THR 62 -5.748 -2.698 -8.393 416 HG22 THR 62 1HG2 THR 62 -5.210 -1.084 -8.853 417 HG23 THR 62 2HG2 THR 62 -5.538 -1.455 -7.161 418 H VAL 63 H VAL 63 -5.083 -1.537 -4.747 419 HA VAL 63 HA VAL 63 -5.954 -4.282 -4.131 420 HB VAL 63 HB VAL 63 -6.040 -1.763 -2.480 421 HG11 VAL 63 1HG1 VAL 63 -7.259 -3.000 -0.781 422 HG12 VAL 63 2HG1 VAL 63 -8.191 -2.932 -2.278 423 HG13 VAL 63 3HG1 VAL 63 -7.335 -4.410 -1.837 424 HG21 VAL 63 3HG2 VAL 63 -4.316 -4.060 -2.626 425 HG22 VAL 63 1HG2 VAL 63 -4.138 -2.585 -1.676 426 HG23 VAL 63 2HG2 VAL 63 -5.054 -3.946 -1.029 427 H THR 64 H THR 64 -7.875 -4.887 -4.856 428 HA THR 64 HA THR 64 -9.859 -2.802 -5.497 429 HB THR 64 HB THR 64 -10.733 -4.193 -7.245 430 HG1 THR 64 1HG THR 64 -10.396 -6.233 -6.241 431 HG21 THR 64 3HG2 THR 64 -9.042 -3.957 -8.792 432 HG22 THR 64 1HG2 THR 64 -7.799 -4.532 -7.681 433 HG23 THR 64 2HG2 THR 64 -8.458 -2.906 -7.503 434 H GLY 65 H GLY 65 -12.145 -3.522 -5.358 435 HA2 GLY 65 1HA GLY 65 -13.905 -4.599 -4.314 436 HA3 GLY 65 2HA GLY 65 -12.773 -5.818 -3.748 437 H LEU 66 H LEU 66 -12.697 -2.319 -3.202 438 HA LEU 66 HA LEU 66 -12.526 -2.822 -0.335 439 HB2 LEU 66 1HB LEU 66 -12.135 -0.325 -1.974 440 HB3 LEU 66 2HB LEU 66 -11.998 -0.387 -0.218 441 HG LEU 66 HG LEU 66 -10.291 -2.213 -1.839 442 HD11 LEU 66 1HD1 LEU 66 -10.165 0.048 -2.907 443 HD12 LEU 66 2HD1 LEU 66 -8.643 -0.545 -2.242 444 HD13 LEU 66 3HD1 LEU 66 -9.572 0.672 -1.368 445 HD21 LEU 66 3HD2 LEU 66 -10.561 -1.705 0.830 446 HD22 LEU 66 1HD2 LEU 66 -9.191 -0.681 0.397 447 HD23 LEU 66 2HD2 LEU 66 -9.136 -2.413 0.069 448 H GLN 67 H GLN 67 -13.641 -1.046 1.047 449 HA GLN 67 HA GLN 67 -16.085 0.055 0.104 450 HB2 GLN 67 1HB GLN 67 -17.675 -1.338 1.215 451 HB3 GLN 67 2HB GLN 67 -16.661 -2.385 0.231 452 HG2 GLN 67 1HG GLN 67 -15.318 -2.854 2.299 453 HG3 GLN 67 2HG GLN 67 -16.565 -2.002 3.209 454 HE21 GLN 67 1HE2 GLN 67 -17.326 -3.702 4.362 455 HE22 GLN 67 2HE2 GLN 67 -18.117 -5.068 3.659 456 H VAL 68 H VAL 68 -17.351 1.056 1.875 457 HA VAL 68 HA VAL 68 -15.969 2.728 3.465 458 HB VAL 68 HB VAL 68 -18.600 1.424 4.169 459 HG11 VAL 68 1HG1 VAL 68 -17.056 3.625 5.458 460 HG12 VAL 68 2HG1 VAL 68 -18.818 3.707 5.435 461 HG13 VAL 68 3HG1 VAL 68 -18.008 2.336 6.194 462 HG21 VAL 68 3HG2 VAL 68 -19.537 2.765 2.661 463 HG22 VAL 68 1HG2 VAL 68 -18.711 4.175 3.323 464 HG23 VAL 68 2HG2 VAL 68 -17.915 3.179 2.104 465 H GLY 69 H GLY 69 -14.166 1.953 4.497 466 HA2 GLY 69 1HA GLY 69 -14.465 0.918 7.096 467 HA3 GLY 69 2HA GLY 69 -14.014 -0.396 6.020 468 H THR 70 H THR 70 -12.248 -0.105 7.858 469 HA THR 70 HA THR 70 -10.171 1.737 6.890 470 HB THR 70 HB THR 70 -10.094 0.206 9.487 471 HG1 THR 70 1HG THR 70 -11.433 1.617 10.321 472 HG21 THR 70 3HG2 THR 70 -8.430 1.745 10.135 473 HG22 THR 70 1HG2 THR 70 -8.812 2.843 8.810 474 HG23 THR 70 2HG2 THR 70 -8.021 1.302 8.478 475 H TYR 71 H TYR 71 -8.395 0.985 5.922 476 HA TYR 71 HA TYR 71 -7.780 -1.885 6.157 477 HB2 TYR 71 1HB TYR 71 -7.704 -0.187 3.657 478 HB3 TYR 71 2HB TYR 71 -7.050 -1.817 3.769 479 HD1 TYR 71 1HD TYR 71 -10.139 0.189 3.786 480 HD2 TYR 71 2HD TYR 71 -8.491 -3.734 3.744 481 HE1 TYR 71 1HE TYR 71 -12.350 -0.728 3.221 482 HE2 TYR 71 2HE TYR 71 -10.698 -4.661 3.177 483 HH TYR 71 HH TYR 71 -12.784 -4.120 2.424 484 H VAL 72 H VAL 72 -5.868 -2.153 7.077 485 HA VAL 72 HA VAL 72 -3.829 -0.057 6.769 486 HB VAL 72 HB VAL 72 -3.851 -2.287 8.802 487 HG11 VAL 72 1HG1 VAL 72 -2.126 -1.110 9.895 488 HG12 VAL 72 2HG1 VAL 72 -1.683 -1.116 8.187 489 HG13 VAL 72 3HG1 VAL 72 -2.380 0.333 8.914 490 HG21 VAL 72 3HG2 VAL 72 -4.795 0.561 9.127 491 HG22 VAL 72 1HG2 VAL 72 -5.823 -0.872 9.097 492 HG23 VAL 72 2HG2 VAL 72 -4.669 -0.641 10.411 493 H PHE 73 H PHE 73 -2.479 -0.482 5.146 494 HA PHE 73 HA PHE 73 -1.650 -3.263 4.681 495 HB2 PHE 73 1HB PHE 73 -1.429 -0.857 2.859 496 HB3 PHE 73 2HB PHE 73 -0.943 -2.499 2.450 497 HD1 PHE 73 1HD PHE 73 -2.656 -4.264 2.197 498 HD2 PHE 73 2HD PHE 73 -3.693 -0.173 2.748 499 HE1 PHE 73 1HE PHE 73 -4.928 -4.733 1.377 500 HE2 PHE 73 2HE PHE 73 -5.967 -0.636 1.930 501 HZ PHE 73 HZ PHE 73 -6.587 -2.919 1.244 502 H THR 74 H THR 74 0.310 -3.867 5.294 503 HA THR 74 HA THR 74 2.285 -1.797 5.950 504 HB THR 74 HB THR 74 2.202 -4.709 6.764 505 HG1 THR 74 1HG THR 74 0.740 -2.886 7.696 506 HG21 THR 74 3HG2 THR 74 3.914 -3.133 8.396 507 HG22 THR 74 1HG2 THR 74 4.366 -2.864 6.713 508 HG23 THR 74 2HG2 THR 74 4.335 -4.502 7.367 509 H LEU 75 H LEU 75 3.626 -1.370 4.318 510 HA LEU 75 HA LEU 75 4.304 -3.382 2.356 511 HB2 LEU 75 1HB LEU 75 4.093 -1.367 1.307 512 HB3 LEU 75 2HB LEU 75 4.735 -0.464 2.678 513 HG LEU 75 HG LEU 75 7.009 -1.396 2.043 514 HD11 LEU 75 1HD1 LEU 75 6.366 -3.221 0.641 515 HD12 LEU 75 2HD1 LEU 75 7.216 -2.040 -0.354 516 HD13 LEU 75 3HD1 LEU 75 5.458 -2.150 -0.426 517 HD21 LEU 75 3HD2 LEU 75 7.276 0.245 0.182 518 HD22 LEU 75 1HD2 LEU 75 6.484 0.898 1.617 519 HD23 LEU 75 2HD2 LEU 75 5.526 0.471 0.199 520 H THR 76 H THR 76 5.839 -4.825 2.743 521 HA THR 76 HA THR 76 8.038 -4.142 4.556 522 HB THR 76 HB THR 76 7.577 -6.887 3.430 523 HG1 THR 76 1HG THR 76 6.291 -5.780 5.724 524 HG21 THR 76 3HG2 THR 76 9.632 -6.262 4.769 525 HG22 THR 76 1HG2 THR 76 8.701 -7.627 5.385 526 HG23 THR 76 2HG2 THR 76 8.558 -6.045 6.151 527 H VAL 77 H VAL 77 10.004 -3.711 3.807 528 HA VAL 77 HA VAL 77 10.775 -4.734 1.159 529 HB VAL 77 HB VAL 77 11.976 -2.580 0.745 530 HG11 VAL 77 1HG1 VAL 77 8.992 -2.289 1.071 531 HG12 VAL 77 2HG1 VAL 77 10.030 -1.391 -0.039 532 HG13 VAL 77 3HG1 VAL 77 9.783 -3.122 -0.267 533 HG21 VAL 77 3HG2 VAL 77 11.667 -2.028 3.325 534 HG22 VAL 77 1HG2 VAL 77 11.816 -0.762 2.107 535 HG23 VAL 77 2HG2 VAL 77 10.225 -1.216 2.715 536 H LYS 78 H LYS 78 13.074 -4.889 0.813 537 HA LYS 78 HA LYS 78 14.701 -4.817 3.257 538 HB2 LYS 78 1HB LYS 78 14.110 -7.157 1.517 539 HB3 LYS 78 2HB LYS 78 15.753 -6.998 2.125 540 HG2 LYS 78 1HG LYS 78 15.023 -7.097 4.378 541 HG3 LYS 78 2HG LYS 78 13.331 -6.932 3.904 542 HD2 LYS 78 1HD LYS 78 14.878 -9.217 2.796 543 HD3 LYS 78 2HD LYS 78 14.397 -9.286 4.493 544 HE2 LYS 78 1HE LYS 78 12.583 -10.272 3.488 545 HE3 LYS 78 2HE LYS 78 12.059 -8.589 3.539 546 HZ1 LYS 78 3HZ LYS 78 13.404 -9.790 1.187 547 HZ2 LYS 78 1HZ LYS 78 12.593 -8.308 1.270 548 HZ3 LYS 78 2HZ LYS 78 11.723 -9.754 1.368 549 H ASP 79 H ASP 79 16.939 -4.542 2.924 550 HA ASP 79 HA ASP 79 17.614 -3.507 0.252 551 HB2 ASP 79 1HB ASP 79 17.664 -1.935 2.260 552 HB3 ASP 79 2HB ASP 79 19.061 -2.852 2.816 553 H GLU 80 H GLU 80 20.108 -3.571 -0.103 554 HA GLU 80 HA GLU 80 20.911 -6.135 -0.581 555 HB2 GLU 80 1HB GLU 80 22.642 -3.737 0.036 556 HB3 GLU 80 2HB GLU 80 23.250 -5.243 -0.634 557 HG2 GLU 80 1HG GLU 80 22.045 -4.944 -2.646 558 HG3 GLU 80 2HG GLU 80 21.105 -3.618 -1.965 559 H ARG 81 H ARG 81 21.316 -4.286 2.381 560 HA ARG 81 HA ARG 81 22.900 -6.364 3.633 561 HB2 ARG 81 1HB ARG 81 21.864 -3.685 4.516 562 HB3 ARG 81 2HB ARG 81 22.535 -4.818 5.680 563 HG2 ARG 81 1HG ARG 81 24.034 -3.925 3.236 564 HG3 ARG 81 2HG ARG 81 24.111 -3.071 4.778 565 HD2 ARG 81 1HD ARG 81 25.944 -4.480 4.895 566 HD3 ARG 81 2HD ARG 81 24.705 -5.393 5.755 567 HE ARG 81 HE ARG 81 24.929 -7.015 4.178 568 HH11 ARG 81 2HH1 ARG 81 25.939 -3.989 2.784 569 HH12 ARG 81 1HH1 ARG 81 26.409 -4.693 1.272 570 HH21 ARG 81 2HH2 ARG 81 25.545 -7.953 2.193 571 HH22 ARG 81 1HH2 ARG 81 26.184 -6.948 0.937 572 H ASN 82 H ASN 82 20.242 -7.074 2.724 573 HA ASN 82 HA ASN 82 18.244 -7.954 3.453 574 HB2 ASN 82 1HB ASN 82 20.320 -9.112 5.310 575 HB3 ASN 82 2HB ASN 82 18.649 -9.669 5.298 576 HD21 ASN 82 1HD2 ASN 82 21.453 -10.688 4.417 577 HD22 ASN 82 2HD2 ASN 82 21.120 -11.426 2.890 578 H LEU 83 H LEU 83 18.711 -5.331 4.512 579 HA LEU 83 HA LEU 83 18.065 -5.297 7.298 580 HB2 LEU 83 1HB LEU 83 17.840 -3.108 5.237 581 HB3 LEU 83 2HB LEU 83 17.763 -2.894 6.985 582 HG LEU 83 HG LEU 83 20.200 -4.015 5.632 583 HD11 LEU 83 1HD1 LEU 83 20.960 -1.516 6.110 584 HD12 LEU 83 2HD1 LEU 83 19.255 -1.211 5.782 585 HD13 LEU 83 3HD1 LEU 83 20.256 -2.009 4.570 586 HD21 LEU 83 3HD2 LEU 83 19.511 -3.886 8.257 587 HD22 LEU 83 1HD2 LEU 83 20.393 -2.372 8.053 588 HD23 LEU 83 2HD2 LEU 83 21.169 -3.905 7.653 589 H GLN 84 H GLN 84 16.144 -5.618 8.188 590 HA GLN 84 HA GLN 84 13.777 -5.737 6.513 591 HB2 GLN 84 1HB GLN 84 14.498 -7.352 8.463 592 HB3 GLN 84 2HB GLN 84 13.707 -6.150 9.474 593 HG2 GLN 84 1HG GLN 84 11.764 -6.461 7.719 594 HG3 GLN 84 2HG GLN 84 12.546 -8.024 7.490 595 HE21 GLN 84 1HE2 GLN 84 10.806 -9.142 8.348 596 HE22 GLN 84 2HE2 GLN 84 10.445 -9.136 10.038 597 H SER 85 H SER 85 12.357 -4.143 6.303 598 HA SER 85 HA SER 85 11.717 -2.357 8.455 599 HB2 SER 85 1HB SER 85 12.952 -1.107 5.996 600 HB3 SER 85 2HB SER 85 12.470 -0.301 7.489 601 HG SER 85 HG SER 85 14.791 -1.577 6.883 602 H GLN 86 H GLN 86 9.597 -2.117 8.307 603 HA GLN 86 HA GLN 86 8.386 -1.820 5.643 604 HB2 GLN 86 1HB GLN 86 6.541 -3.227 6.253 605 HB3 GLN 86 2HB GLN 86 8.027 -4.116 6.557 606 HG2 GLN 86 1HG GLN 86 7.732 -3.134 8.976 607 HG3 GLN 86 2HG GLN 86 6.045 -3.018 8.477 608 HE21 GLN 86 1HE2 GLN 86 7.875 -4.824 10.270 609 HE22 GLN 86 2HE2 GLN 86 7.260 -6.405 9.940 610 H SER 87 H SER 87 6.226 -0.802 5.704 611 HA SER 87 HA SER 87 5.730 0.848 8.069 612 HB2 SER 87 1HB SER 87 6.462 1.840 5.347 613 HB3 SER 87 2HB SER 87 5.283 2.755 6.286 614 HG SER 87 HG SER 87 7.833 2.966 6.489 615 H SER 88 H SER 88 3.606 1.299 8.433 616 HA SER 88 HA SER 88 1.693 0.009 6.624 617 HB2 SER 88 1HB SER 88 0.128 0.356 8.647 618 HB3 SER 88 2HB SER 88 1.408 -0.847 8.797 619 HG SER 88 HG SER 88 2.615 0.636 9.977 620 H VAL 89 H VAL 89 -0.245 1.061 6.015 621 HA VAL 89 HA VAL 89 -0.222 3.991 6.309 622 HB VAL 89 HB VAL 89 0.588 3.401 4.064 623 HG11 VAL 89 1HG1 VAL 89 -1.833 2.501 2.867 624 HG12 VAL 89 2HG1 VAL 89 -0.264 1.695 2.928 625 HG13 VAL 89 3HG1 VAL 89 -1.441 1.434 4.216 626 HG21 VAL 89 3HG2 VAL 89 -2.192 4.492 3.765 627 HG22 VAL 89 1HG2 VAL 89 -0.923 5.405 4.581 628 HG23 VAL 89 2HG2 VAL 89 -0.727 4.940 2.891 629 H ASN 90 H ASN 90 -2.215 4.999 6.452 630 HA ASN 90 HA ASN 90 -4.418 3.245 7.194 631 HB2 ASN 90 1HB ASN 90 -3.837 6.168 7.576 632 HB3 ASN 90 2HB ASN 90 -5.469 5.546 7.802 633 HD21 ASN 90 1HD2 ASN 90 -2.693 6.293 9.350 634 HD22 ASN 90 2HD2 ASN 90 -2.847 5.281 10.742 635 H VAL 91 H VAL 91 -5.755 2.609 5.641 636 HA VAL 91 HA VAL 91 -6.396 4.495 3.469 637 HB VAL 91 HB VAL 91 -6.612 1.481 3.438 638 HG11 VAL 91 1HG1 VAL 91 -8.207 2.923 2.017 639 HG12 VAL 91 2HG1 VAL 91 -6.775 3.289 1.053 640 HG13 VAL 91 3HG1 VAL 91 -7.321 1.620 1.226 641 HG21 VAL 91 3HG2 VAL 91 -4.461 3.361 2.658 642 HG22 VAL 91 1HG2 VAL 91 -4.361 1.703 3.252 643 HG23 VAL 91 2HG2 VAL 91 -4.783 2.013 1.568 644 H ILE 92 H ILE 92 -8.278 5.468 3.837 645 HA ILE 92 HA ILE 92 -10.473 3.890 5.007 646 HB ILE 92 HB ILE 92 -10.049 6.880 5.042 647 HG12 ILE 92 1HG1 ILE 92 -10.216 6.212 7.617 648 HG13 ILE 92 2HG1 ILE 92 -9.618 4.676 7.002 649 HG21 ILE 92 1HG2 ILE 92 -12.330 6.790 4.994 650 HG22 ILE 92 2HG2 ILE 92 -12.392 5.178 5.706 651 HG23 ILE 92 3HG2 ILE 92 -12.063 6.580 6.724 652 HD11 ILE 92 3HD1 ILE 92 -7.978 6.536 7.830 653 HD12 ILE 92 1HD1 ILE 92 -7.587 5.543 6.427 654 HD13 ILE 92 2HD1 ILE 92 -8.221 7.174 6.204 655 H VAL 93 H VAL 93 -12.493 3.923 4.060 656 HA VAL 93 HA VAL 93 -12.666 5.225 1.420 657 HB VAL 93 HB VAL 93 -13.704 2.503 2.214 658 HG11 VAL 93 1HG1 VAL 93 -14.229 2.611 -0.399 659 HG12 VAL 93 2HG1 VAL 93 -15.399 3.103 0.828 660 HG13 VAL 93 3HG1 VAL 93 -14.433 4.319 -0.008 661 HG21 VAL 93 3HG2 VAL 93 -12.269 1.772 0.302 662 HG22 VAL 93 1HG2 VAL 93 -11.626 3.413 0.230 663 HG23 VAL 93 2HG2 VAL 93 -11.374 2.430 1.672 664 H LYS 94 H LYS 94 -14.441 6.411 1.026 665 HA LYS 94 HA LYS 94 -16.611 6.321 3.020 666 HB2 LYS 94 1HB LYS 94 -15.211 8.597 1.703 667 HB3 LYS 94 2HB LYS 94 -16.929 8.777 2.034 668 HG2 LYS 94 1HG LYS 94 -15.905 9.684 3.908 669 HG3 LYS 94 2HG LYS 94 -16.343 8.054 4.424 670 HD2 LYS 94 1HD LYS 94 -14.180 8.123 5.160 671 HD3 LYS 94 2HD LYS 94 -13.916 7.504 3.528 672 HE2 LYS 94 1HE LYS 94 -12.338 9.259 3.930 673 HE3 LYS 94 2HE LYS 94 -13.533 9.846 2.774 674 HZ1 LYS 94 3HZ LYS 94 -13.127 11.538 4.389 675 HZ2 LYS 94 1HZ LYS 94 -13.406 10.471 5.673 676 HZ3 LYS 94 2HZ LYS 94 -14.681 10.928 4.660 677 H GLU 95 H GLU 95 -18.664 7.445 2.035 678 HA GLU 95 HA GLU 95 -19.280 5.954 -0.393 679 HB2 GLU 95 1HB GLU 95 -20.932 7.287 1.727 680 HB3 GLU 95 2HB GLU 95 -21.649 6.868 0.178 681 HG2 GLU 95 1HG GLU 95 -20.922 4.520 0.546 682 HG3 GLU 95 2HG GLU 95 -20.387 4.990 2.159 683 H GLU 96 H GLU 96 -20.968 7.150 -1.851 684 HA GLU 96 HA GLU 96 -19.597 9.372 -2.998 685 HB2 GLU 96 1HB GLU 96 -21.121 7.532 -4.101 686 HB3 GLU 96 2HB GLU 96 -22.408 8.676 -3.745 687 HG2 GLU 96 1HG GLU 96 -21.369 10.361 -5.088 688 HG3 GLU 96 2HG GLU 96 -19.939 9.357 -5.321 689 H SER 97 H SER 97 -19.793 11.452 -2.523 690 HA SER 97 HA SER 97 -21.366 12.448 -0.460 691 HB2 SER 97 1HB SER 97 -20.250 13.989 -2.816 692 HB3 SER 97 2HB SER 97 -20.756 14.678 -1.273 693 HG SER 97 HG SER 97 -18.395 13.615 -1.931 694 H GLY 98 H GLY 98 -23.177 13.896 -0.479 695 HA2 GLY 98 1HA GLY 98 -25.347 12.994 -1.998 696 HA3 GLY 98 2HA GLY 98 -25.312 14.488 -1.074 697 HA PRO 99 HA PRO 99 -25.446 15.253 -5.749 698 HB2 PRO 99 1HB PRO 99 -27.976 16.229 -5.876 699 HB3 PRO 99 2HB PRO 99 -27.597 14.515 -6.079 700 HG2 PRO 99 1HG PRO 99 -28.603 15.959 -3.657 701 HG3 PRO 99 2HG PRO 99 -29.106 14.390 -4.314 702 HD2 PRO 99 1HD PRO 99 -27.414 14.616 -2.211 703 HD3 PRO 99 2HD PRO 99 -27.312 13.284 -3.381 704 H SER 100 H SER 100 -25.099 17.261 -6.632 705 HA SER 100 HA SER 100 -25.774 19.644 -5.097 706 HB2 SER 100 1HB SER 100 -23.536 18.962 -4.277 707 HB3 SER 100 2HB SER 100 -22.925 19.041 -5.930 708 HG SER 100 HG SER 100 -23.636 21.294 -5.887 709 H SER 101 H SER 101 -25.969 21.490 -6.330 710 HA SER 101 HA SER 101 -26.593 21.187 -9.041 711 HB2 SER 101 1HB SER 101 -27.207 23.070 -7.298 712 HB3 SER 101 2HB SER 101 -25.787 23.866 -7.975 713 HG SER 101 HG SER 101 -27.890 24.303 -9.010 714 H GLY 102 H GLY 102 -25.119 20.537 -10.490 715 HA2 GLY 102 1HA GLY 102 -23.383 21.883 -11.880 716 HA3 GLY 102 2HA GLY 102 -22.433 21.723 -10.410 Start of MODEL 19 1 H1 GLY 1 H GLY 1 7.783 13.900 10.171 2 HA2 GLY 1 1HA GLY 1 9.519 14.884 11.458 3 HA3 GLY 1 2HA GLY 1 9.873 13.304 12.140 4 H SER 2 H SER 2 11.833 12.664 11.569 5 HA SER 2 HA SER 2 12.700 13.137 8.792 6 HB2 SER 2 1HB SER 2 14.327 13.226 11.338 7 HB3 SER 2 2HB SER 2 15.048 13.167 9.729 8 HG SER 2 HG SER 2 14.369 15.167 9.327 9 H SER 3 H SER 3 14.477 11.590 8.120 10 HA SER 3 HA SER 3 13.530 8.917 8.515 11 HB2 SER 3 1HB SER 3 15.734 10.157 6.890 12 HB3 SER 3 2HB SER 3 15.626 8.405 7.059 13 HG SER 3 HG SER 3 13.886 8.380 5.844 14 H GLY 4 H GLY 4 14.899 7.106 9.159 15 HA2 GLY 4 1HA GLY 4 17.202 7.750 10.828 16 HA3 GLY 4 2HA GLY 4 15.814 7.056 11.652 17 H SER 5 H SER 5 17.079 5.248 12.256 18 HA SER 5 HA SER 5 18.071 3.527 10.122 19 HB2 SER 5 1HB SER 5 19.437 3.927 12.177 20 HB3 SER 5 2HB SER 5 18.195 3.098 13.116 21 HG SER 5 HG SER 5 18.594 1.235 11.854 22 H SER 6 H SER 6 15.859 3.289 12.902 23 HA SER 6 HA SER 6 14.810 0.764 11.982 24 HB2 SER 6 1HB SER 6 13.324 0.925 13.944 25 HB3 SER 6 2HB SER 6 15.008 1.206 14.387 26 HG SER 6 HG SER 6 13.086 3.236 13.888 27 H GLY 7 H GLY 7 13.927 1.236 9.951 28 HA2 GLY 7 1HA GLY 7 11.458 1.423 9.336 29 HA3 GLY 7 2HA GLY 7 11.606 3.057 9.964 30 H GLN 8 H GLN 8 13.477 0.981 7.745 31 HA GLN 8 HA GLN 8 14.044 3.268 6.062 32 HB2 GLN 8 1HB GLN 8 15.605 1.247 6.655 33 HB3 GLN 8 2HB GLN 8 14.762 0.455 5.330 34 HG2 GLN 8 1HG GLN 8 15.382 2.525 3.955 35 HG3 GLN 8 2HG GLN 8 16.523 2.874 5.253 36 HE21 GLN 8 1HE2 GLN 8 17.699 2.590 2.977 37 HE22 GLN 8 2HE2 GLN 8 18.443 1.043 2.783 38 H ALA 9 H ALA 9 11.345 2.853 6.124 39 HA ALA 9 HA ALA 9 10.812 2.246 3.332 40 HB1 ALA 9 3HB ALA 9 9.749 0.634 5.600 41 HB2 ALA 9 1HB ALA 9 8.721 0.917 4.195 42 HB3 ALA 9 2HB ALA 9 10.281 0.118 4.000 43 H ASP 10 H ASP 10 9.431 3.680 2.502 44 HA ASP 10 HA ASP 10 7.730 5.207 4.364 45 HB2 ASP 10 1HB ASP 10 8.877 6.262 1.777 46 HB3 ASP 10 2HB ASP 10 8.051 7.175 3.036 47 H ALA 11 H ALA 11 6.101 3.568 3.944 48 HA ALA 11 HA ALA 11 5.041 2.745 1.583 49 HB1 ALA 11 3HB ALA 11 4.271 2.518 4.156 50 HB2 ALA 11 1HB ALA 11 3.006 3.582 3.541 51 HB3 ALA 11 2HB ALA 11 3.282 2.011 2.787 52 H GLY 12 H GLY 12 4.278 5.805 3.232 53 HA2 GLY 12 1HA GLY 12 4.167 7.675 1.473 54 HA3 GLY 12 2HA GLY 12 2.879 6.690 0.795 55 HA PRO 13 HA PRO 13 1.206 9.769 3.939 56 HB2 PRO 13 1HB PRO 13 -0.369 11.147 2.211 57 HB3 PRO 13 2HB PRO 13 1.315 11.579 2.528 58 HG2 PRO 13 1HG PRO 13 0.155 10.033 0.243 59 HG3 PRO 13 2HG PRO 13 1.397 11.298 0.221 60 HD2 PRO 13 1HD PRO 13 2.000 8.663 0.073 61 HD3 PRO 13 2HD PRO 13 3.068 9.844 0.857 62 H ASP 14 H ASP 14 -1.043 9.985 4.593 63 HA ASP 14 HA ASP 14 -2.457 7.629 4.665 64 HB2 ASP 14 1HB ASP 14 -4.171 8.802 5.724 65 HB3 ASP 14 2HB ASP 14 -2.769 9.828 6.015 66 H LYS 15 H LYS 15 -4.279 6.813 3.605 67 HA LYS 15 HA LYS 15 -4.677 7.885 0.892 68 HB2 LYS 15 1HB LYS 15 -4.863 5.084 1.987 69 HB3 LYS 15 2HB LYS 15 -5.550 5.525 0.429 70 HG2 LYS 15 1HG LYS 15 -2.705 6.203 0.962 71 HG3 LYS 15 2HG LYS 15 -3.129 4.522 0.631 72 HD2 LYS 15 1HD LYS 15 -4.022 5.074 -1.497 73 HD3 LYS 15 2HD LYS 15 -3.982 6.803 -1.140 74 HE2 LYS 15 1HE LYS 15 -2.165 6.172 -2.641 75 HE3 LYS 15 2HE LYS 15 -1.541 6.740 -1.094 76 HZ1 LYS 15 3HZ LYS 15 -1.849 3.889 -1.865 77 HZ2 LYS 15 1HZ LYS 15 -1.193 4.464 -0.415 78 HZ3 LYS 15 2HZ LYS 15 -0.392 4.750 -1.878 79 H GLU 16 H GLU 16 -6.629 8.610 0.324 80 HA GLU 16 HA GLU 16 -8.955 7.818 1.939 81 HB2 GLU 16 1HB GLU 16 -7.883 10.201 2.362 82 HB3 GLU 16 2HB GLU 16 -8.785 10.616 0.911 83 HG2 GLU 16 1HG GLU 16 -10.814 9.627 2.080 84 HG3 GLU 16 2HG GLU 16 -9.839 9.656 3.548 85 H LEU 17 H LEU 17 -10.183 6.698 0.571 86 HA LEU 17 HA LEU 17 -10.483 7.681 -2.186 87 HB2 LEU 17 1HB LEU 17 -11.197 4.948 -1.151 88 HB3 LEU 17 2HB LEU 17 -11.077 5.466 -2.831 89 HG LEU 17 HG LEU 17 -8.674 5.470 -1.036 90 HD11 LEU 17 1HD1 LEU 17 -9.121 3.155 -2.818 91 HD12 LEU 17 2HD1 LEU 17 -10.049 3.197 -1.319 92 HD13 LEU 17 3HD1 LEU 17 -8.287 3.253 -1.267 93 HD21 LEU 17 3HD2 LEU 17 -7.527 5.929 -2.901 94 HD22 LEU 17 1HD2 LEU 17 -9.089 6.387 -3.579 95 HD23 LEU 17 2HD2 LEU 17 -8.444 4.770 -3.864 96 H THR 18 H THR 18 -12.582 7.654 -3.150 97 HA THR 18 HA THR 18 -14.816 7.628 -1.235 98 HB THR 18 HB THR 18 -14.479 9.681 -3.429 99 HG1 THR 18 1HG THR 18 -13.035 10.200 -1.816 100 HG21 THR 18 3HG2 THR 18 -16.426 9.727 -1.137 101 HG22 THR 18 1HG2 THR 18 -16.818 8.974 -2.682 102 HG23 THR 18 2HG2 THR 18 -16.442 10.695 -2.610 103 H LEU 19 H LEU 19 -16.280 6.186 -1.840 104 HA LEU 19 HA LEU 19 -16.332 4.648 -4.072 105 HB2 LEU 19 1HB LEU 19 -18.573 5.638 -2.345 106 HB3 LEU 19 2HB LEU 19 -18.875 4.544 -3.693 107 HG LEU 19 HG LEU 19 -17.035 3.921 -1.385 108 HD11 LEU 19 1HD1 LEU 19 -19.955 3.658 -1.702 109 HD12 LEU 19 2HD1 LEU 19 -18.975 3.796 -0.242 110 HD13 LEU 19 3HD1 LEU 19 -19.109 2.245 -1.071 111 HD21 LEU 19 3HD2 LEU 19 -16.615 1.942 -2.370 112 HD22 LEU 19 1HD2 LEU 19 -17.056 2.802 -3.845 113 HD23 LEU 19 2HD2 LEU 19 -18.249 1.798 -3.020 114 HA PRO 20 HA PRO 20 -18.144 3.633 -5.298 115 HB2 PRO 20 1HB PRO 20 -17.749 2.966 -7.900 116 HB3 PRO 20 2HB PRO 20 -19.305 3.531 -7.278 117 HG2 PRO 20 1HG PRO 20 -17.187 5.053 -8.749 118 HG3 PRO 20 2HG PRO 20 -18.947 5.097 -8.960 119 HD2 PRO 20 1HD PRO 20 -17.597 6.994 -7.578 120 HD3 PRO 20 2HD PRO 20 -19.253 6.507 -7.162 121 H VAL 21 H VAL 21 -15.531 5.575 -6.074 122 HA VAL 21 HA VAL 21 -13.548 3.949 -7.042 123 HB VAL 21 HB VAL 21 -13.233 5.992 -4.838 124 HG11 VAL 21 1HG1 VAL 21 -11.357 4.224 -5.591 125 HG12 VAL 21 2HG1 VAL 21 -11.072 5.492 -6.785 126 HG13 VAL 21 3HG1 VAL 21 -10.988 5.865 -5.063 127 HG21 VAL 21 3HG2 VAL 21 -14.259 6.477 -7.285 128 HG22 VAL 21 1HG2 VAL 21 -13.298 7.643 -6.374 129 HG23 VAL 21 2HG2 VAL 21 -12.537 6.657 -7.624 130 H ASP 22 H ASP 22 -13.668 1.828 -6.353 131 HA ASP 22 HA ASP 22 -13.082 1.349 -3.506 132 HB2 ASP 22 1HB ASP 22 -13.980 -0.955 -3.926 133 HB3 ASP 22 2HB ASP 22 -15.173 0.329 -4.108 134 H SER 23 H SER 23 -11.036 2.067 -5.301 135 HA SER 23 HA SER 23 -9.287 -0.200 -4.967 136 HB2 SER 23 1HB SER 23 -8.581 -0.256 -7.353 137 HB3 SER 23 2HB SER 23 -10.251 -0.771 -7.125 138 HG SER 23 HG SER 23 -10.145 0.668 -8.846 139 H THR 24 H THR 24 -7.134 0.371 -4.902 140 HA THR 24 HA THR 24 -6.362 3.087 -5.627 141 HB THR 24 HB THR 24 -7.148 3.089 -3.208 142 HG1 THR 24 1HG THR 24 -5.888 4.783 -3.414 143 HG21 THR 24 3HG2 THR 24 -5.422 2.258 -1.582 144 HG22 THR 24 1HG2 THR 24 -4.662 1.404 -2.924 145 HG23 THR 24 2HG2 THR 24 -6.305 0.991 -2.432 146 H THR 25 H THR 25 -3.941 3.397 -5.187 147 HA THR 25 HA THR 25 -2.520 0.870 -5.726 148 HB THR 25 HB THR 25 -0.910 2.254 -7.088 149 HG1 THR 25 1HG THR 25 -3.023 4.162 -6.888 150 HG21 THR 25 3HG2 THR 25 -2.097 1.915 -9.038 151 HG22 THR 25 1HG2 THR 25 -3.617 2.467 -8.335 152 HG23 THR 25 2HG2 THR 25 -2.980 0.875 -7.920 153 H LEU 26 H LEU 26 -0.862 0.419 -4.421 154 HA LEU 26 HA LEU 26 0.003 2.483 -2.526 155 HB2 LEU 26 1HB LEU 26 0.494 -0.488 -2.436 156 HB3 LEU 26 2HB LEU 26 0.826 0.677 -1.155 157 HG LEU 26 HG LEU 26 -1.971 0.259 -2.143 158 HD11 LEU 26 1HD1 LEU 26 -1.420 -1.222 0.254 159 HD12 LEU 26 2HD1 LEU 26 -0.403 -1.793 -1.068 160 HD13 LEU 26 3HD1 LEU 26 -2.156 -1.764 -1.254 161 HD21 LEU 26 3HD2 LEU 26 -1.052 0.878 0.640 162 HD22 LEU 26 1HD2 LEU 26 -2.606 1.217 -0.123 163 HD23 LEU 26 2HD2 LEU 26 -1.179 2.147 -0.579 164 H ASP 27 H ASP 27 1.432 3.579 -3.918 165 HA ASP 27 HA ASP 27 3.617 2.165 -5.163 166 HB2 ASP 27 1HB ASP 27 4.192 4.195 -6.159 167 HB3 ASP 27 2HB ASP 27 2.444 4.328 -5.987 168 H GLY 28 H GLY 28 5.338 1.500 -4.072 169 HA2 GLY 28 1HA GLY 28 6.108 2.960 -1.631 170 HA3 GLY 28 2HA GLY 28 6.497 1.280 -1.971 171 H SER 29 H SER 29 6.839 3.874 -4.306 172 HA SER 29 HA SER 29 9.621 3.206 -4.666 173 HB2 SER 29 1HB SER 29 7.623 4.906 -6.074 174 HB3 SER 29 2HB SER 29 9.325 5.314 -6.287 175 HG SER 29 HG SER 29 8.582 2.637 -6.547 176 H LYS 30 H LYS 30 7.756 5.906 -3.379 177 HA LYS 30 HA LYS 30 9.536 7.911 -3.104 178 HB2 LYS 30 1HB LYS 30 7.500 6.865 -1.156 179 HB3 LYS 30 2HB LYS 30 8.479 8.273 -0.768 180 HG2 LYS 30 1HG LYS 30 7.522 9.559 -2.451 181 HG3 LYS 30 2HG LYS 30 6.919 8.145 -3.319 182 HD2 LYS 30 1HD LYS 30 5.121 7.880 -1.909 183 HD3 LYS 30 2HD LYS 30 5.930 8.673 -0.555 184 HE2 LYS 30 1HE LYS 30 4.957 10.072 -3.044 185 HE3 LYS 30 2HE LYS 30 4.077 10.009 -1.518 186 HZ1 LYS 30 3HZ LYS 30 6.454 11.540 -2.229 187 HZ2 LYS 30 1HZ LYS 30 6.382 10.937 -0.650 188 HZ3 LYS 30 2HZ LYS 30 5.160 11.956 -1.222 189 H SER 31 H SER 31 9.444 4.979 -1.132 190 HA SER 31 HA SER 31 11.129 5.408 0.896 191 HB2 SER 31 1HB SER 31 10.234 3.189 0.401 192 HB3 SER 31 2HB SER 31 11.298 3.051 -0.999 193 HG SER 31 HG SER 31 12.274 3.458 1.626 194 H SER 32 H SER 32 13.373 5.384 1.291 195 HA SER 32 HA SER 32 14.982 7.012 -0.113 196 HB2 SER 32 1HB SER 32 15.451 5.756 2.097 197 HB3 SER 32 2HB SER 32 16.169 4.512 1.074 198 HG SER 32 HG SER 32 17.504 6.229 0.196 199 H ASP 33 H ASP 33 15.686 7.075 -2.131 200 HA ASP 33 HA ASP 33 15.634 4.710 -3.790 201 HB2 ASP 33 1HB ASP 33 14.859 6.863 -4.683 202 HB3 ASP 33 2HB ASP 33 16.464 7.546 -4.439 203 H ASP 34 H ASP 34 18.061 6.903 -2.458 204 HA ASP 34 HA ASP 34 20.354 6.256 -3.691 205 HB2 ASP 34 1HB ASP 34 20.160 6.231 -0.677 206 HB3 ASP 34 2HB ASP 34 21.547 6.693 -1.660 207 H GLN 35 H GLN 35 19.368 4.411 -0.801 208 HA GLN 35 HA GLN 35 21.066 2.212 -1.548 209 HB2 GLN 35 1HB GLN 35 19.003 2.246 0.652 210 HB3 GLN 35 2HB GLN 35 20.421 1.214 0.524 211 HG2 GLN 35 1HG GLN 35 21.853 2.850 1.214 212 HG3 GLN 35 2HG GLN 35 20.823 4.154 0.624 213 HE21 GLN 35 1HE2 GLN 35 21.983 2.734 3.325 214 HE22 GLN 35 2HE2 GLN 35 20.758 3.192 4.454 215 H LYS 36 H LYS 36 20.082 1.717 -3.606 216 HA LYS 36 HA LYS 36 17.585 1.117 -4.323 217 HB2 LYS 36 1HB LYS 36 19.755 0.690 -5.611 218 HB3 LYS 36 2HB LYS 36 19.768 -0.893 -4.846 219 HG2 LYS 36 1HG LYS 36 18.767 -1.297 -6.892 220 HG3 LYS 36 2HG LYS 36 17.390 -1.137 -5.799 221 HD2 LYS 36 1HD LYS 36 17.425 1.352 -6.496 222 HD3 LYS 36 2HD LYS 36 18.411 0.796 -7.850 223 HE2 LYS 36 1HE LYS 36 15.564 0.146 -7.187 224 HE3 LYS 36 2HE LYS 36 16.245 0.743 -8.699 225 HZ1 LYS 36 3HZ LYS 36 17.184 -1.367 -9.154 226 HZ2 LYS 36 1HZ LYS 36 15.577 -1.647 -8.704 227 HZ3 LYS 36 2HZ LYS 36 16.828 -1.951 -7.607 228 H ILE 37 H ILE 37 16.111 -0.586 -4.176 229 HA ILE 37 HA ILE 37 16.578 -2.429 -1.923 230 HB ILE 37 HB ILE 37 14.008 -1.147 -2.844 231 HG12 ILE 37 1HG1 ILE 37 14.117 -0.671 -0.218 232 HG13 ILE 37 2HG1 ILE 37 15.844 -0.832 -0.520 233 HG21 ILE 37 1HG2 ILE 37 14.418 -3.693 -1.584 234 HG22 ILE 37 2HG2 ILE 37 13.550 -2.609 -0.498 235 HG23 ILE 37 3HG2 ILE 37 12.915 -2.935 -2.111 236 HD11 ILE 37 3HD1 ILE 37 14.717 1.496 -0.638 237 HD12 ILE 37 1HD1 ILE 37 15.919 1.044 -1.847 238 HD13 ILE 37 2HD1 ILE 37 14.201 0.965 -2.239 239 H ILE 38 H ILE 38 16.312 -4.561 -2.253 240 HA ILE 38 HA ILE 38 15.318 -5.407 -4.896 241 HB ILE 38 HB ILE 38 16.749 -7.391 -4.689 242 HG12 ILE 38 1HG1 ILE 38 17.996 -6.061 -2.283 243 HG13 ILE 38 2HG1 ILE 38 16.760 -7.307 -2.144 244 HG21 ILE 38 1HG2 ILE 38 18.345 -6.265 -5.751 245 HG22 ILE 38 2HG2 ILE 38 17.540 -4.778 -5.250 246 HG23 ILE 38 3HG2 ILE 38 18.839 -5.452 -4.266 247 HD11 ILE 38 3HD1 ILE 38 19.373 -7.686 -3.580 248 HD12 ILE 38 1HD1 ILE 38 19.091 -8.126 -1.896 249 HD13 ILE 38 2HD1 ILE 38 18.178 -8.919 -3.180 250 H SER 39 H SER 39 13.562 -4.985 -2.744 251 HA SER 39 HA SER 39 12.313 -7.566 -2.616 252 HB2 SER 39 1HB SER 39 13.738 -6.449 -0.254 253 HB3 SER 39 2HB SER 39 12.165 -7.194 0.031 254 HG SER 39 HG SER 39 14.364 -8.410 -1.292 255 H TYR 40 H TYR 40 10.142 -7.391 -2.398 256 HA TYR 40 HA TYR 40 8.958 -4.986 -1.285 257 HB2 TYR 40 1HB TYR 40 8.728 -5.737 -4.194 258 HB3 TYR 40 2HB TYR 40 7.515 -4.746 -3.392 259 HD1 TYR 40 1HD TYR 40 8.208 -2.537 -2.405 260 HD2 TYR 40 2HD TYR 40 10.769 -4.805 -4.935 261 HE1 TYR 40 1HE TYR 40 9.569 -0.530 -2.816 262 HE2 TYR 40 2HE TYR 40 12.138 -2.804 -5.352 263 HH TYR 40 HH TYR 40 12.312 -0.599 -5.061 264 H LEU 41 H LEU 41 7.160 -5.478 -0.207 265 HA LEU 41 HA LEU 41 5.549 -7.772 -1.035 266 HB2 LEU 41 1HB LEU 41 7.133 -8.619 0.628 267 HB3 LEU 41 2HB LEU 41 6.600 -7.382 1.764 268 HG LEU 41 HG LEU 41 4.371 -8.420 1.824 269 HD11 LEU 41 1HD1 LEU 41 4.280 -10.798 0.874 270 HD12 LEU 41 2HD1 LEU 41 5.636 -10.302 -0.137 271 HD13 LEU 41 3HD1 LEU 41 4.096 -9.451 -0.250 272 HD21 LEU 41 3HD2 LEU 41 5.069 -9.677 3.522 273 HD22 LEU 41 1HD2 LEU 41 6.718 -9.323 3.005 274 HD23 LEU 41 2HD2 LEU 41 5.912 -10.788 2.442 275 H TRP 42 H TRP 42 3.422 -7.407 -0.863 276 HA TRP 42 HA TRP 42 2.539 -5.133 0.790 277 HB2 TRP 42 1HB TRP 42 1.798 -5.852 -2.034 278 HB3 TRP 42 2HB TRP 42 0.700 -4.913 -1.025 279 HD1 TRP 42 HD TRP 42 3.611 -4.529 -3.292 280 HE1 TRP 42 1HE TRP 42 4.480 -2.107 -3.228 281 HE3 TRP 42 3HE TRP 42 1.060 -2.858 0.811 282 HZ2 TRP 42 2HZ TRP 42 4.132 0.205 -1.647 283 HZ3 TRP 42 3HZ TRP 42 1.384 -0.528 1.534 284 HH2 TRP 42 HH TRP 42 2.889 0.970 0.329 285 H GLU 43 H GLU 43 1.323 -5.853 2.401 286 HA GLU 43 HA GLU 43 -0.763 -7.823 1.833 287 HB2 GLU 43 1HB GLU 43 1.169 -8.071 4.146 288 HB3 GLU 43 2HB GLU 43 -0.223 -9.105 3.856 289 HG2 GLU 43 1HG GLU 43 0.929 -9.559 1.571 290 HG3 GLU 43 2HG GLU 43 2.372 -8.970 2.394 291 H LYS 44 H LYS 44 -2.575 -7.676 3.156 292 HA LYS 44 HA LYS 44 -2.877 -5.121 4.499 293 HB2 LYS 44 1HB LYS 44 -4.635 -5.854 2.978 294 HB3 LYS 44 2HB LYS 44 -4.868 -7.321 3.920 295 HG2 LYS 44 1HG LYS 44 -5.752 -6.103 5.756 296 HG3 LYS 44 2HG LYS 44 -5.281 -4.561 5.038 297 HD2 LYS 44 1HD LYS 44 -7.615 -4.799 4.675 298 HD3 LYS 44 2HD LYS 44 -6.829 -5.110 3.125 299 HE2 LYS 44 1HE LYS 44 -8.414 -6.810 3.296 300 HE3 LYS 44 2HE LYS 44 -6.914 -7.583 3.807 301 HZ1 LYS 44 3HZ LYS 44 -8.480 -8.230 5.384 302 HZ2 LYS 44 1HZ LYS 44 -9.184 -6.695 5.478 303 HZ3 LYS 44 2HZ LYS 44 -7.654 -6.966 6.147 304 H THR 45 H THR 45 -2.379 -4.928 6.573 305 HA THR 45 HA THR 45 -2.167 -7.210 8.307 306 HB THR 45 HB THR 45 -1.872 -5.211 10.041 307 HG1 THR 45 1HG THR 45 -0.873 -3.441 8.817 308 HG21 THR 45 3HG2 THR 45 0.542 -5.065 8.682 309 HG22 THR 45 1HG2 THR 45 -0.104 -6.644 8.237 310 HG23 THR 45 2HG2 THR 45 0.116 -6.229 9.937 311 H GLN 46 H GLN 46 -4.164 -4.254 8.346 312 HA GLN 46 HA GLN 46 -6.122 -5.721 9.988 313 HB2 GLN 46 1HB GLN 46 -5.109 -2.929 10.122 314 HB3 GLN 46 2HB GLN 46 -6.809 -3.187 10.489 315 HG2 GLN 46 1HG GLN 46 -6.315 -4.579 12.315 316 HG3 GLN 46 2HG GLN 46 -4.632 -4.762 11.821 317 HE21 GLN 46 1HE2 GLN 46 -6.919 -2.841 13.510 318 HE22 GLN 46 2HE2 GLN 46 -5.812 -1.663 14.120 319 H GLY 47 H GLY 47 -8.367 -4.494 9.807 320 HA2 GLY 47 1HA GLY 47 -9.972 -3.480 8.381 321 HA3 GLY 47 2HA GLY 47 -8.882 -3.725 7.024 322 HA PRO 48 HA PRO 48 -12.243 -7.064 7.290 323 HB2 PRO 48 1HB PRO 48 -13.698 -6.287 5.134 324 HB3 PRO 48 2HB PRO 48 -14.023 -5.707 6.771 325 HG2 PRO 48 1HG PRO 48 -12.525 -4.370 4.551 326 HG3 PRO 48 2HG PRO 48 -13.707 -3.679 5.678 327 HD2 PRO 48 1HD PRO 48 -11.036 -3.367 5.995 328 HD3 PRO 48 2HD PRO 48 -12.156 -3.464 7.369 329 H ASP 49 H ASP 49 -11.899 -8.924 6.222 330 HA ASP 49 HA ASP 49 -9.933 -8.986 4.118 331 HB2 ASP 49 1HB ASP 49 -10.376 -10.695 6.084 332 HB3 ASP 49 2HB ASP 49 -11.489 -11.408 4.919 333 H GLY 50 H GLY 50 -10.240 -9.959 2.042 334 HA2 GLY 50 1HA GLY 50 -12.090 -11.017 0.622 335 HA3 GLY 50 2HA GLY 50 -12.982 -9.560 1.036 336 H VAL 51 H VAL 51 -10.811 -7.733 0.856 337 HA VAL 51 HA VAL 51 -10.940 -6.970 -1.801 338 HB VAL 51 HB VAL 51 -9.169 -5.410 -1.359 339 HG11 VAL 51 1HG1 VAL 51 -11.364 -5.033 -0.270 340 HG12 VAL 51 2HG1 VAL 51 -10.731 -5.794 1.191 341 HG13 VAL 51 3HG1 VAL 51 -10.018 -4.294 0.597 342 HG21 VAL 51 3HG2 VAL 51 -7.768 -5.521 0.627 343 HG22 VAL 51 1HG2 VAL 51 -8.570 -7.010 1.127 344 HG23 VAL 51 2HG2 VAL 51 -7.587 -6.987 -0.337 345 H GLN 52 H GLN 52 -9.143 -6.793 -3.372 346 HA GLN 52 HA GLN 52 -7.469 -9.217 -3.346 347 HB2 GLN 52 1HB GLN 52 -9.138 -7.993 -5.480 348 HB3 GLN 52 2HB GLN 52 -7.611 -8.716 -5.967 349 HG2 GLN 52 1HG GLN 52 -9.452 -10.275 -4.226 350 HG3 GLN 52 2HG GLN 52 -9.822 -10.112 -5.942 351 HE21 GLN 52 1HE2 GLN 52 -8.268 -10.877 -7.469 352 HE22 GLN 52 2HE2 GLN 52 -7.175 -12.143 -7.039 353 H LEU 53 H LEU 53 -5.333 -8.974 -3.630 354 HA LEU 53 HA LEU 53 -4.352 -6.278 -4.299 355 HB2 LEU 53 1HB LEU 53 -3.505 -8.298 -2.308 356 HB3 LEU 53 2HB LEU 53 -2.227 -7.384 -3.107 357 HG LEU 53 HG LEU 53 -4.481 -5.867 -1.896 358 HD11 LEU 53 1HD1 LEU 53 -3.750 -6.054 0.293 359 HD12 LEU 53 2HD1 LEU 53 -2.192 -6.734 -0.176 360 HD13 LEU 53 3HD1 LEU 53 -3.653 -7.715 -0.291 361 HD21 LEU 53 3HD2 LEU 53 -2.204 -4.610 -1.219 362 HD22 LEU 53 1HD2 LEU 53 -3.041 -4.353 -2.751 363 HD23 LEU 53 2HD2 LEU 53 -1.664 -5.453 -2.672 364 H GLU 54 H GLU 54 -3.187 -6.062 -6.092 365 HA GLU 54 HA GLU 54 -2.134 -8.500 -7.365 366 HB2 GLU 54 1HB GLU 54 -3.411 -6.039 -8.444 367 HB3 GLU 54 2HB GLU 54 -2.137 -6.776 -9.405 368 HG2 GLU 54 1HG GLU 54 -4.314 -8.511 -8.369 369 HG3 GLU 54 2HG GLU 54 -4.657 -7.438 -9.725 370 H ASN 55 H ASN 55 -0.150 -8.237 -8.638 371 HA ASN 55 HA ASN 55 2.102 -7.833 -8.585 372 HB2 ASN 55 1HB ASN 55 0.740 -5.209 -8.925 373 HB3 ASN 55 2HB ASN 55 2.474 -5.182 -8.616 374 HD21 ASN 55 1HD2 ASN 55 0.292 -5.087 -10.987 375 HD22 ASN 55 2HD2 ASN 55 1.193 -5.802 -12.277 376 H ALA 56 H ALA 56 0.750 -8.077 -5.957 377 HA ALA 56 HA ALA 56 1.651 -6.288 -4.050 378 HB1 ALA 56 3HB ALA 56 0.085 -8.005 -3.468 379 HB2 ALA 56 1HB ALA 56 1.262 -9.268 -3.832 380 HB3 ALA 56 2HB ALA 56 1.516 -8.194 -2.455 381 H ASN 57 H ASN 57 3.430 -8.647 -5.853 382 HA ASN 57 HA ASN 57 5.732 -8.513 -4.077 383 HB2 ASN 57 1HB ASN 57 5.095 -10.665 -5.132 384 HB3 ASN 57 2HB ASN 57 5.412 -9.961 -6.715 385 HD21 ASN 57 1HD2 ASN 57 6.976 -10.461 -3.575 386 HD22 ASN 57 2HD2 ASN 57 8.541 -10.811 -4.218 387 H SER 58 H SER 58 4.827 -6.104 -5.440 388 HA SER 58 HA SER 58 7.330 -5.468 -6.833 389 HB2 SER 58 1HB SER 58 4.535 -5.044 -7.849 390 HB3 SER 58 2HB SER 58 5.834 -3.958 -8.342 391 HG SER 58 HG SER 58 5.449 -6.665 -8.922 392 H SER 59 H SER 59 7.544 -3.027 -7.111 393 HA SER 59 HA SER 59 7.474 -1.811 -4.587 394 HB2 SER 59 1HB SER 59 8.116 0.262 -5.787 395 HB3 SER 59 2HB SER 59 9.074 -1.128 -6.297 396 HG SER 59 HG SER 59 7.176 -1.214 -7.953 397 H VAL 60 H VAL 60 5.249 -1.680 -7.300 398 HA VAL 60 HA VAL 60 3.456 0.019 -5.690 399 HB VAL 60 HB VAL 60 3.451 -0.278 -8.695 400 HG11 VAL 60 1HG1 VAL 60 1.858 1.381 -6.768 401 HG12 VAL 60 2HG1 VAL 60 2.036 1.840 -8.462 402 HG13 VAL 60 3HG1 VAL 60 1.280 0.303 -8.038 403 HG21 VAL 60 3HG2 VAL 60 5.012 1.434 -6.918 404 HG22 VAL 60 1HG2 VAL 60 5.243 1.061 -8.626 405 HG23 VAL 60 2HG2 VAL 60 4.112 2.325 -8.145 406 H ALA 61 H ALA 61 1.680 -0.931 -4.957 407 HA ALA 61 HA ALA 61 0.755 -3.395 -6.278 408 HB1 ALA 61 3HB ALA 61 -0.391 -3.791 -4.027 409 HB2 ALA 61 1HB ALA 61 1.363 -3.969 -4.094 410 HB3 ALA 61 2HB ALA 61 0.649 -2.506 -3.414 411 H THR 62 H THR 62 -1.597 -3.795 -6.181 412 HA THR 62 HA THR 62 -3.187 -1.321 -6.175 413 HB THR 62 HB THR 62 -3.247 -3.458 -8.313 414 HG1 THR 62 1HG THR 62 -2.022 -2.086 -9.343 415 HG21 THR 62 3HG2 THR 62 -5.320 -2.842 -8.859 416 HG22 THR 62 1HG2 THR 62 -4.868 -1.138 -8.853 417 HG23 THR 62 2HG2 THR 62 -5.386 -1.918 -7.358 418 H VAL 63 H VAL 63 -4.907 -1.486 -4.903 419 HA VAL 63 HA VAL 63 -5.854 -4.166 -4.155 420 HB VAL 63 HB VAL 63 -6.275 -1.514 -2.769 421 HG11 VAL 63 1HG1 VAL 63 -8.138 -3.235 -2.590 422 HG12 VAL 63 2HG1 VAL 63 -6.985 -4.232 -1.701 423 HG13 VAL 63 3HG1 VAL 63 -7.450 -2.650 -1.075 424 HG21 VAL 63 3HG2 VAL 63 -4.716 -2.223 -1.152 425 HG22 VAL 63 1HG2 VAL 63 -4.711 -3.876 -1.766 426 HG23 VAL 63 2HG2 VAL 63 -3.967 -2.583 -2.707 427 H THR 64 H THR 64 -7.970 -4.760 -4.380 428 HA THR 64 HA THR 64 -9.844 -2.807 -5.514 429 HB THR 64 HB THR 64 -10.575 -4.275 -7.249 430 HG1 THR 64 1HG THR 64 -8.722 -6.179 -6.209 431 HG21 THR 64 3HG2 THR 64 -8.658 -4.369 -8.667 432 HG22 THR 64 1HG2 THR 64 -7.564 -4.432 -7.287 433 HG23 THR 64 2HG2 THR 64 -8.465 -2.956 -7.630 434 H GLY 65 H GLY 65 -12.106 -3.505 -5.394 435 HA2 GLY 65 1HA GLY 65 -13.902 -4.562 -4.390 436 HA3 GLY 65 2HA GLY 65 -12.793 -5.776 -3.772 437 H LEU 66 H LEU 66 -12.339 -2.355 -3.214 438 HA LEU 66 HA LEU 66 -12.344 -2.784 -0.370 439 HB2 LEU 66 1HB LEU 66 -11.963 -0.336 -2.076 440 HB3 LEU 66 2HB LEU 66 -11.920 -0.298 -0.314 441 HG LEU 66 HG LEU 66 -10.088 -2.166 -1.737 442 HD11 LEU 66 1HD1 LEU 66 -8.709 -0.612 -2.582 443 HD12 LEU 66 2HD1 LEU 66 -9.009 0.522 -1.265 444 HD13 LEU 66 3HD1 LEU 66 -10.153 0.400 -2.602 445 HD21 LEU 66 3HD2 LEU 66 -10.469 -1.133 0.906 446 HD22 LEU 66 1HD2 LEU 66 -8.854 -0.717 0.331 447 HD23 LEU 66 2HD2 LEU 66 -9.376 -2.402 0.350 448 H GLN 67 H GLN 67 -13.564 -1.296 1.091 449 HA GLN 67 HA GLN 67 -16.049 -0.221 0.091 450 HB2 GLN 67 1HB GLN 67 -16.076 -2.546 2.023 451 HB3 GLN 67 2HB GLN 67 -17.480 -1.605 1.536 452 HG2 GLN 67 1HG GLN 67 -16.915 -2.322 -0.846 453 HG3 GLN 67 2HG GLN 67 -15.847 -3.510 -0.101 454 HE21 GLN 67 1HE2 GLN 67 -17.011 -5.265 -0.810 455 HE22 GLN 67 2HE2 GLN 67 -18.572 -5.669 -0.192 456 H VAL 68 H VAL 68 -17.159 1.073 1.631 457 HA VAL 68 HA VAL 68 -15.778 2.772 3.162 458 HB VAL 68 HB VAL 68 -18.489 1.656 3.891 459 HG11 VAL 68 1HG1 VAL 68 -16.813 3.422 5.337 460 HG12 VAL 68 2HG1 VAL 68 -18.148 4.369 4.677 461 HG13 VAL 68 3HG1 VAL 68 -18.478 2.960 5.686 462 HG21 VAL 68 3HG2 VAL 68 -17.536 3.701 1.963 463 HG22 VAL 68 1HG2 VAL 68 -18.889 2.575 1.846 464 HG23 VAL 68 2HG2 VAL 68 -19.035 4.031 2.831 465 H GLY 69 H GLY 69 -14.045 1.964 4.301 466 HA2 GLY 69 1HA GLY 69 -14.524 1.134 6.966 467 HA3 GLY 69 2HA GLY 69 -14.029 -0.246 5.997 468 H THR 70 H THR 70 -12.272 -0.126 7.696 469 HA THR 70 HA THR 70 -10.169 1.771 6.889 470 HB THR 70 HB THR 70 -9.934 0.178 9.401 471 HG1 THR 70 1HG THR 70 -11.876 2.103 8.873 472 HG21 THR 70 3HG2 THR 70 -8.587 1.936 10.118 473 HG22 THR 70 1HG2 THR 70 -9.325 3.087 9.005 474 HG23 THR 70 2HG2 THR 70 -8.228 1.849 8.394 475 H TYR 71 H TYR 71 -8.432 1.012 5.873 476 HA TYR 71 HA TYR 71 -7.810 -1.857 6.103 477 HB2 TYR 71 1HB TYR 71 -7.668 -0.155 3.605 478 HB3 TYR 71 2HB TYR 71 -7.115 -1.822 3.727 479 HD1 TYR 71 1HD TYR 71 -10.140 0.317 4.020 480 HD2 TYR 71 2HD TYR 71 -8.604 -3.600 3.384 481 HE1 TYR 71 1HE TYR 71 -12.397 -0.467 3.437 482 HE2 TYR 71 2HE TYR 71 -10.857 -4.394 2.798 483 HH TYR 71 HH TYR 71 -12.957 -3.662 2.150 484 H VAL 72 H VAL 72 -5.847 -2.218 6.874 485 HA VAL 72 HA VAL 72 -3.818 -0.097 6.615 486 HB VAL 72 HB VAL 72 -3.829 -2.307 8.668 487 HG11 VAL 72 1HG1 VAL 72 -2.472 0.259 9.160 488 HG12 VAL 72 2HG1 VAL 72 -1.951 -1.390 9.513 489 HG13 VAL 72 3HG1 VAL 72 -1.776 -0.738 7.883 490 HG21 VAL 72 3HG2 VAL 72 -5.141 0.372 8.681 491 HG22 VAL 72 1HG2 VAL 72 -5.711 -1.166 9.330 492 HG23 VAL 72 2HG2 VAL 72 -4.459 -0.260 10.180 493 H PHE 73 H PHE 73 -2.426 -0.539 5.038 494 HA PHE 73 HA PHE 73 -1.621 -3.336 4.605 495 HB2 PHE 73 1HB PHE 73 -1.382 -0.991 2.708 496 HB3 PHE 73 2HB PHE 73 -0.984 -2.667 2.345 497 HD1 PHE 73 2HD PHE 73 -3.700 -0.279 2.926 498 HD2 PHE 73 1HD PHE 73 -2.697 -4.282 1.886 499 HE1 PHE 73 2HE PHE 73 -6.012 -0.659 2.173 500 HE2 PHE 73 1HE PHE 73 -5.006 -4.669 1.131 501 HZ PHE 73 HZ PHE 73 -6.668 -2.856 1.275 502 H THR 74 H THR 74 0.346 -3.911 5.222 503 HA THR 74 HA THR 74 2.305 -1.822 5.843 504 HB THR 74 HB THR 74 2.188 -4.735 6.638 505 HG1 THR 74 1HG THR 74 2.016 -3.711 8.753 506 HG21 THR 74 3HG2 THR 74 4.153 -4.161 8.083 507 HG22 THR 74 1HG2 THR 74 4.298 -2.649 7.187 508 HG23 THR 74 2HG2 THR 74 4.504 -4.191 6.355 509 H LEU 75 H LEU 75 4.160 -1.584 4.742 510 HA LEU 75 HA LEU 75 4.677 -3.464 2.541 511 HB2 LEU 75 1HB LEU 75 4.346 -1.324 1.651 512 HB3 LEU 75 2HB LEU 75 5.281 -0.553 2.930 513 HG LEU 75 HG LEU 75 7.315 -1.705 1.932 514 HD11 LEU 75 1HD1 LEU 75 6.979 -2.127 -0.573 515 HD12 LEU 75 2HD1 LEU 75 5.267 -2.281 -0.179 516 HD13 LEU 75 3HD1 LEU 75 6.441 -3.372 0.555 517 HD21 LEU 75 3HD2 LEU 75 6.244 0.733 1.507 518 HD22 LEU 75 1HD2 LEU 75 6.293 0.116 -0.144 519 HD23 LEU 75 2HD2 LEU 75 7.773 0.195 0.810 520 H THR 76 H THR 76 6.049 -4.979 3.278 521 HA THR 76 HA THR 76 8.334 -4.170 4.920 522 HB THR 76 HB THR 76 7.365 -6.946 4.210 523 HG1 THR 76 1HG THR 76 7.025 -5.317 6.520 524 HG21 THR 76 3HG2 THR 76 8.956 -7.797 5.723 525 HG22 THR 76 1HG2 THR 76 9.301 -6.201 6.389 526 HG23 THR 76 2HG2 THR 76 9.840 -6.612 4.760 527 H VAL 77 H VAL 77 9.997 -3.470 3.726 528 HA VAL 77 HA VAL 77 10.782 -5.068 1.376 529 HB VAL 77 HB VAL 77 11.672 -3.142 0.332 530 HG11 VAL 77 1HG1 VAL 77 8.996 -3.359 0.922 531 HG12 VAL 77 2HG1 VAL 77 9.359 -1.683 1.336 532 HG13 VAL 77 3HG1 VAL 77 9.703 -2.286 -0.286 533 HG21 VAL 77 3HG2 VAL 77 11.651 -2.053 3.065 534 HG22 VAL 77 1HG2 VAL 77 12.784 -1.781 1.741 535 HG23 VAL 77 2HG2 VAL 77 11.256 -0.901 1.789 536 H LYS 78 H LYS 78 13.121 -5.084 0.915 537 HA LYS 78 HA LYS 78 14.760 -4.833 3.348 538 HB2 LYS 78 1HB LYS 78 14.363 -7.188 1.573 539 HB3 LYS 78 2HB LYS 78 15.987 -6.902 2.185 540 HG2 LYS 78 1HG LYS 78 15.148 -6.955 4.471 541 HG3 LYS 78 2HG LYS 78 13.509 -7.214 3.869 542 HD2 LYS 78 1HD LYS 78 15.651 -9.085 2.990 543 HD3 LYS 78 2HD LYS 78 15.036 -9.230 4.639 544 HE2 LYS 78 1HE LYS 78 12.730 -9.333 3.677 545 HE3 LYS 78 2HE LYS 78 13.461 -9.399 2.074 546 HZ1 LYS 78 3HZ LYS 78 13.125 -11.610 2.598 547 HZ2 LYS 78 1HZ LYS 78 13.542 -11.412 4.226 548 HZ3 LYS 78 2HZ LYS 78 14.744 -11.388 3.036 549 H ASP 79 H ASP 79 17.009 -4.467 2.994 550 HA ASP 79 HA ASP 79 17.553 -3.214 0.388 551 HB2 ASP 79 1HB ASP 79 17.675 -1.929 2.664 552 HB3 ASP 79 2HB ASP 79 19.229 -2.742 2.830 553 H GLU 80 H GLU 80 20.198 -3.083 0.250 554 HA GLU 80 HA GLU 80 20.979 -5.662 -0.538 555 HB2 GLU 80 1HB GLU 80 23.207 -4.687 -0.877 556 HB3 GLU 80 2HB GLU 80 21.943 -3.656 -1.533 557 HG2 GLU 80 1HG GLU 80 22.273 -2.018 0.020 558 HG3 GLU 80 2HG GLU 80 22.883 -3.139 1.236 559 H ARG 81 H ARG 81 21.498 -3.856 2.426 560 HA ARG 81 HA ARG 81 23.318 -5.827 3.506 561 HB2 ARG 81 1HB ARG 81 22.129 -3.265 4.516 562 HB3 ARG 81 2HB ARG 81 22.914 -4.374 5.632 563 HG2 ARG 81 1HG ARG 81 24.915 -4.272 4.049 564 HG3 ARG 81 2HG ARG 81 24.114 -2.870 3.336 565 HD2 ARG 81 1HD ARG 81 24.793 -3.156 6.260 566 HD3 ARG 81 2HD ARG 81 25.782 -2.291 5.084 567 HE ARG 81 HE ARG 81 23.317 -1.396 6.278 568 HH11 ARG 81 2HH1 ARG 81 25.528 -1.041 3.613 569 HH12 ARG 81 1HH1 ARG 81 25.023 0.574 3.239 570 HH21 ARG 81 2HH2 ARG 81 22.643 0.729 5.796 571 HH22 ARG 81 1HH2 ARG 81 23.383 1.580 4.483 572 H ASN 82 H ASN 82 20.314 -6.247 2.822 573 HA ASN 82 HA ASN 82 18.638 -7.586 3.580 574 HB2 ASN 82 1HB ASN 82 20.485 -8.396 5.828 575 HB3 ASN 82 2HB ASN 82 19.151 -9.319 5.142 576 HD21 ASN 82 1HD2 ASN 82 22.219 -9.583 5.411 577 HD22 ASN 82 2HD2 ASN 82 22.695 -10.144 3.848 578 H LEU 83 H LEU 83 19.025 -4.832 4.584 579 HA LEU 83 HA LEU 83 18.270 -4.709 7.315 580 HB2 LEU 83 1HB LEU 83 18.311 -2.783 5.037 581 HB3 LEU 83 2HB LEU 83 17.459 -2.348 6.517 582 HG LEU 83 HG LEU 83 20.303 -3.253 6.667 583 HD11 LEU 83 1HD1 LEU 83 21.192 -1.369 5.836 584 HD12 LEU 83 2HD1 LEU 83 19.885 -0.357 6.449 585 HD13 LEU 83 3HD1 LEU 83 19.673 -1.256 4.947 586 HD21 LEU 83 3HD2 LEU 83 18.570 -2.670 8.591 587 HD22 LEU 83 1HD2 LEU 83 19.132 -1.033 8.249 588 HD23 LEU 83 2HD2 LEU 83 20.286 -2.281 8.724 589 H GLN 84 H GLN 84 16.379 -5.177 8.202 590 HA GLN 84 HA GLN 84 14.028 -5.455 6.494 591 HB2 GLN 84 1HB GLN 84 14.832 -7.202 8.222 592 HB3 GLN 84 2HB GLN 84 14.135 -6.122 9.423 593 HG2 GLN 84 1HG GLN 84 12.037 -6.277 7.834 594 HG3 GLN 84 2HG GLN 84 12.800 -7.796 7.370 595 HE21 GLN 84 1HE2 GLN 84 10.799 -8.678 8.287 596 HE22 GLN 84 2HE2 GLN 84 10.736 -8.986 9.986 597 H SER 85 H SER 85 12.594 -3.876 6.337 598 HA SER 85 HA SER 85 12.331 -1.985 8.584 599 HB2 SER 85 1HB SER 85 11.733 -0.259 6.914 600 HB3 SER 85 2HB SER 85 13.358 -0.893 6.654 601 HG SER 85 HG SER 85 11.013 -1.340 5.165 602 H GLN 86 H GLN 86 10.130 -0.661 8.109 603 HA GLN 86 HA GLN 86 7.967 -2.284 7.149 604 HB2 GLN 86 1HB GLN 86 8.638 -3.078 9.560 605 HB3 GLN 86 2HB GLN 86 7.772 -1.632 10.063 606 HG2 GLN 86 1HG GLN 86 5.801 -2.463 8.775 607 HG3 GLN 86 2HG GLN 86 6.682 -3.968 8.516 608 HE21 GLN 86 1HE2 GLN 86 6.972 -5.382 10.211 609 HE22 GLN 86 2HE2 GLN 86 6.122 -5.234 11.708 610 H SER 87 H SER 87 6.149 -1.095 6.741 611 HA SER 87 HA SER 87 5.737 1.495 7.931 612 HB2 SER 87 1HB SER 87 5.790 2.720 5.759 613 HB3 SER 87 2HB SER 87 7.374 2.126 6.255 614 HG SER 87 HG SER 87 5.821 0.470 4.637 615 H SER 88 H SER 88 3.636 1.435 8.336 616 HA SER 88 HA SER 88 1.849 0.041 6.479 617 HB2 SER 88 1HB SER 88 0.183 0.271 8.365 618 HB3 SER 88 2HB SER 88 1.601 -0.705 8.743 619 HG SER 88 HG SER 88 2.011 1.912 9.315 620 H VAL 89 H VAL 89 -0.063 1.006 5.708 621 HA VAL 89 HA VAL 89 -0.125 3.948 5.877 622 HB VAL 89 HB VAL 89 0.706 3.321 3.684 623 HG11 VAL 89 1HG1 VAL 89 -1.663 2.091 2.604 624 HG12 VAL 89 2HG1 VAL 89 0.009 1.528 2.569 625 HG13 VAL 89 3HG1 VAL 89 -1.024 1.144 3.947 626 HG21 VAL 89 3HG2 VAL 89 -1.064 4.378 2.281 627 HG22 VAL 89 1HG2 VAL 89 -2.143 4.303 3.674 628 HG23 VAL 89 2HG2 VAL 89 -0.677 5.279 3.747 629 H ASN 90 H ASN 90 -2.021 4.821 6.435 630 HA ASN 90 HA ASN 90 -4.255 3.071 6.988 631 HB2 ASN 90 1HB ASN 90 -3.790 6.019 7.455 632 HB3 ASN 90 2HB ASN 90 -5.298 5.206 7.866 633 HD21 ASN 90 1HD2 ASN 90 -4.938 3.145 9.189 634 HD22 ASN 90 2HD2 ASN 90 -3.825 3.286 10.503 635 H VAL 91 H VAL 91 -5.674 2.567 5.464 636 HA VAL 91 HA VAL 91 -6.247 4.536 3.351 637 HB VAL 91 HB VAL 91 -6.589 1.535 3.334 638 HG11 VAL 91 1HG1 VAL 91 -7.238 1.833 0.967 639 HG12 VAL 91 2HG1 VAL 91 -8.393 2.552 2.090 640 HG13 VAL 91 3HG1 VAL 91 -7.254 3.578 1.217 641 HG21 VAL 91 3HG2 VAL 91 -4.631 1.386 2.245 642 HG22 VAL 91 1HG2 VAL 91 -4.943 2.835 1.290 643 HG23 VAL 91 2HG2 VAL 91 -4.311 2.980 2.930 644 H ILE 92 H ILE 92 -7.952 5.701 4.048 645 HA ILE 92 HA ILE 92 -10.227 4.318 5.267 646 HB ILE 92 HB ILE 92 -9.594 7.259 5.027 647 HG12 ILE 92 1HG1 ILE 92 -9.958 5.783 7.601 648 HG13 ILE 92 2HG1 ILE 92 -8.442 5.594 6.726 649 HG21 ILE 92 1HG2 ILE 92 -12.073 5.834 5.800 650 HG22 ILE 92 2HG2 ILE 92 -11.606 7.231 6.768 651 HG23 ILE 92 3HG2 ILE 92 -11.861 7.407 5.032 652 HD11 ILE 92 3HD1 ILE 92 -9.424 8.350 7.172 653 HD12 ILE 92 1HD1 ILE 92 -8.802 7.463 8.564 654 HD13 ILE 92 2HD1 ILE 92 -7.778 7.718 7.151 655 H VAL 93 H VAL 93 -11.923 3.776 4.078 656 HA VAL 93 HA VAL 93 -12.302 5.078 1.471 657 HB VAL 93 HB VAL 93 -13.352 2.444 2.511 658 HG11 VAL 93 1HG1 VAL 93 -15.045 3.194 1.091 659 HG12 VAL 93 2HG1 VAL 93 -13.905 3.951 -0.023 660 HG13 VAL 93 3HG1 VAL 93 -14.036 2.193 0.048 661 HG21 VAL 93 3HG2 VAL 93 -11.524 1.519 1.648 662 HG22 VAL 93 1HG2 VAL 93 -11.808 2.308 0.097 663 HG23 VAL 93 2HG2 VAL 93 -10.890 3.138 1.353 664 H LYS 94 H LYS 94 -13.923 6.455 1.203 665 HA LYS 94 HA LYS 94 -16.161 6.379 3.121 666 HB2 LYS 94 1HB LYS 94 -14.901 8.720 1.688 667 HB3 LYS 94 2HB LYS 94 -16.425 8.826 2.559 668 HG2 LYS 94 1HG LYS 94 -15.417 8.558 4.622 669 HG3 LYS 94 2HG LYS 94 -13.979 7.799 3.934 670 HD2 LYS 94 1HD LYS 94 -13.077 9.821 3.260 671 HD3 LYS 94 2HD LYS 94 -14.645 10.631 3.241 672 HE2 LYS 94 1HE LYS 94 -13.561 9.609 5.826 673 HE3 LYS 94 2HE LYS 94 -12.907 11.101 5.152 674 HZ1 LYS 94 3HZ LYS 94 -15.743 11.110 5.063 675 HZ2 LYS 94 1HZ LYS 94 -14.694 12.208 5.809 676 HZ3 LYS 94 2HZ LYS 94 -15.205 10.827 6.642 677 H GLU 95 H GLU 95 -18.264 6.893 2.328 678 HA GLU 95 HA GLU 95 -18.729 5.860 -0.324 679 HB2 GLU 95 1HB GLU 95 -21.076 5.959 0.241 680 HB3 GLU 95 2HB GLU 95 -20.187 5.274 1.593 681 HG2 GLU 95 1HG GLU 95 -20.307 7.355 2.792 682 HG3 GLU 95 2HG GLU 95 -21.061 8.147 1.410 683 H GLU 96 H GLU 96 -20.051 6.959 -1.919 684 HA GLU 96 HA GLU 96 -19.105 9.532 -2.527 685 HB2 GLU 96 1HB GLU 96 -19.842 8.059 -4.286 686 HB3 GLU 96 2HB GLU 96 -21.464 7.990 -3.611 687 HG2 GLU 96 1HG GLU 96 -21.748 10.381 -4.087 688 HG3 GLU 96 2HG GLU 96 -20.140 10.413 -4.809 689 H SER 97 H SER 97 -20.198 11.540 -2.623 690 HA SER 97 HA SER 97 -22.148 11.870 -0.469 691 HB2 SER 97 1HB SER 97 -19.972 13.268 -0.746 692 HB3 SER 97 2HB SER 97 -20.880 14.138 -1.982 693 HG SER 97 HG SER 97 -22.083 13.729 0.509 694 H GLY 98 H GLY 98 -23.980 11.066 -1.586 695 HA2 GLY 98 1HA GLY 98 -25.005 12.933 -3.636 696 HA3 GLY 98 2HA GLY 98 -25.268 11.198 -3.732 697 HA PRO 99 HA PRO 99 -28.486 13.564 -1.029 698 HB2 PRO 99 1HB PRO 99 -30.297 14.339 -2.896 699 HB3 PRO 99 2HB PRO 99 -28.969 15.373 -2.359 700 HG2 PRO 99 1HG PRO 99 -29.174 13.677 -4.818 701 HG3 PRO 99 2HG PRO 99 -28.548 15.328 -4.646 702 HD2 PRO 99 1HD PRO 99 -26.928 13.164 -4.799 703 HD3 PRO 99 2HD PRO 99 -26.508 14.606 -3.853 704 H SER 100 H SER 100 -30.862 12.970 -0.902 705 HA SER 100 HA SER 100 -31.196 10.200 -1.837 706 HB2 SER 100 1HB SER 100 -32.138 11.651 0.620 707 HB3 SER 100 2HB SER 100 -32.977 10.202 0.065 708 HG SER 100 HG SER 100 -30.190 10.125 0.292 709 H SER 101 H SER 101 -33.271 12.968 -0.955 710 HA SER 101 HA SER 101 -35.256 12.083 -2.895 711 HB2 SER 101 1HB SER 101 -36.603 13.993 -1.920 712 HB3 SER 101 2HB SER 101 -36.169 12.721 -0.778 713 HG SER 101 HG SER 101 -35.045 15.299 -1.056 714 H GLY 102 H GLY 102 -32.723 14.377 -2.604 715 HA2 GLY 102 1HA GLY 102 -31.874 15.884 -4.119 716 HA3 GLY 102 2HA GLY 102 -32.980 15.208 -5.306 Start of MODEL 20 1 H1 GLY 1 H GLY 1 22.632 -12.086 9.650 2 HA2 GLY 1 1HA GLY 1 24.072 -12.195 11.793 3 HA3 GLY 1 2HA GLY 1 25.073 -11.045 10.921 4 H SER 2 H SER 2 24.071 -10.352 13.354 5 HA SER 2 HA SER 2 21.606 -8.883 13.045 6 HB2 SER 2 1HB SER 2 21.953 -8.205 15.365 7 HB3 SER 2 2HB SER 2 22.216 -9.941 15.200 8 HG SER 2 HG SER 2 23.921 -8.040 16.050 9 H SER 3 H SER 3 21.397 -6.602 13.262 10 HA SER 3 HA SER 3 23.690 -4.889 13.181 11 HB2 SER 3 1HB SER 3 23.290 -3.970 10.927 12 HB3 SER 3 2HB SER 3 23.726 -5.677 10.859 13 HG SER 3 HG SER 3 21.137 -4.544 10.618 14 H GLY 4 H GLY 4 23.125 -2.631 13.196 15 HA2 GLY 4 1HA GLY 4 21.042 -1.927 14.823 16 HA3 GLY 4 2HA GLY 4 21.783 -0.822 13.675 17 H SER 5 H SER 5 18.975 -1.107 14.584 18 HA SER 5 HA SER 5 17.516 -2.126 12.322 19 HB2 SER 5 1HB SER 5 16.751 -0.735 14.874 20 HB3 SER 5 2HB SER 5 15.569 -0.952 13.583 21 HG SER 5 HG SER 5 17.057 -3.016 14.845 22 H SER 6 H SER 6 16.747 -1.035 10.611 23 HA SER 6 HA SER 6 17.435 1.811 10.416 24 HB2 SER 6 1HB SER 6 16.930 -0.326 8.350 25 HB3 SER 6 2HB SER 6 16.949 1.386 7.926 26 HG SER 6 HG SER 6 19.074 1.501 8.678 27 H GLY 7 H GLY 7 14.783 -0.410 9.542 28 HA2 GLY 7 1HA GLY 7 12.517 -0.076 9.407 29 HA3 GLY 7 2HA GLY 7 12.744 1.195 10.599 30 H GLN 8 H GLN 8 14.227 1.181 7.416 31 HA GLN 8 HA GLN 8 12.857 3.689 6.824 32 HB2 GLN 8 1HB GLN 8 15.339 2.355 5.868 33 HB3 GLN 8 2HB GLN 8 14.515 3.435 4.751 34 HG2 GLN 8 1HG GLN 8 14.604 5.199 6.512 35 HG3 GLN 8 2HG GLN 8 15.608 4.111 7.468 36 HE21 GLN 8 1HE2 GLN 8 17.684 3.567 6.697 37 HE22 GLN 8 2HE2 GLN 8 18.507 4.575 5.560 38 H ALA 9 H ALA 9 10.951 3.504 5.848 39 HA ALA 9 HA ALA 9 10.761 2.075 3.347 40 HB1 ALA 9 3HB ALA 9 10.126 0.191 4.476 41 HB2 ALA 9 1HB ALA 9 9.424 1.096 5.817 42 HB3 ALA 9 2HB ALA 9 8.558 0.976 4.285 43 H ASP 10 H ASP 10 9.311 2.999 1.994 44 HA ASP 10 HA ASP 10 7.592 5.112 3.120 45 HB2 ASP 10 1HB ASP 10 9.564 5.764 1.587 46 HB3 ASP 10 2HB ASP 10 8.589 5.095 0.281 47 H ALA 11 H ALA 11 5.608 4.246 3.245 48 HA ALA 11 HA ALA 11 4.614 2.641 0.998 49 HB1 ALA 11 3HB ALA 11 2.732 2.715 3.116 50 HB2 ALA 11 1HB ALA 11 3.713 1.357 2.563 51 HB3 ALA 11 2HB ALA 11 4.326 2.436 3.817 52 H GLY 12 H GLY 12 4.872 5.563 0.900 53 HA2 GLY 12 1HA GLY 12 3.658 7.297 0.002 54 HA3 GLY 12 2HA GLY 12 2.342 6.158 -0.242 55 HA PRO 13 HA PRO 13 1.568 9.240 3.327 56 HB2 PRO 13 1HB PRO 13 -0.033 11.007 2.029 57 HB3 PRO 13 2HB PRO 13 1.720 11.201 2.139 58 HG2 PRO 13 1HG PRO 13 0.072 10.118 -0.113 59 HG3 PRO 13 2HG PRO 13 1.453 11.229 -0.171 60 HD2 PRO 13 1HD PRO 13 1.685 8.587 -0.718 61 HD3 PRO 13 2HD PRO 13 2.993 9.525 0.031 62 H ASP 14 H ASP 14 -0.720 9.949 4.039 63 HA ASP 14 HA ASP 14 -2.336 7.753 4.376 64 HB2 ASP 14 1HB ASP 14 -4.004 9.225 5.237 65 HB3 ASP 14 2HB ASP 14 -2.446 9.947 5.628 66 H LYS 15 H LYS 15 -4.128 6.898 3.383 67 HA LYS 15 HA LYS 15 -4.653 7.870 0.653 68 HB2 LYS 15 1HB LYS 15 -4.680 5.118 1.857 69 HB3 LYS 15 2HB LYS 15 -5.586 5.463 0.389 70 HG2 LYS 15 1HG LYS 15 -2.706 6.214 0.531 71 HG3 LYS 15 2HG LYS 15 -3.154 4.527 0.264 72 HD2 LYS 15 1HD LYS 15 -4.265 5.031 -1.747 73 HD3 LYS 15 2HD LYS 15 -4.302 6.759 -1.390 74 HE2 LYS 15 1HE LYS 15 -1.705 6.534 -1.417 75 HE3 LYS 15 2HE LYS 15 -2.027 5.060 -2.329 76 HZ1 LYS 15 3HZ LYS 15 -2.173 6.346 -4.113 77 HZ2 LYS 15 1HZ LYS 15 -2.131 7.766 -3.194 78 HZ3 LYS 15 2HZ LYS 15 -3.605 6.990 -3.484 79 H GLU 16 H GLU 16 -6.620 8.612 0.185 80 HA GLU 16 HA GLU 16 -8.867 7.852 1.922 81 HB2 GLU 16 1HB GLU 16 -7.785 10.239 2.242 82 HB3 GLU 16 2HB GLU 16 -8.735 10.623 0.814 83 HG2 GLU 16 1HG GLU 16 -10.719 9.648 2.093 84 HG3 GLU 16 2HG GLU 16 -9.689 9.762 3.519 85 H LEU 17 H LEU 17 -10.191 6.721 0.661 86 HA LEU 17 HA LEU 17 -10.730 7.731 -2.055 87 HB2 LEU 17 1HB LEU 17 -11.139 4.877 -1.253 88 HB3 LEU 17 2HB LEU 17 -10.942 5.559 -2.866 89 HG LEU 17 HG LEU 17 -8.663 5.636 -0.932 90 HD11 LEU 17 1HD1 LEU 17 -8.970 3.317 -2.777 91 HD12 LEU 17 2HD1 LEU 17 -9.773 3.281 -1.208 92 HD13 LEU 17 3HD1 LEU 17 -8.022 3.465 -1.298 93 HD21 LEU 17 3HD2 LEU 17 -7.345 5.849 -2.835 94 HD22 LEU 17 1HD2 LEU 17 -8.781 6.793 -3.234 95 HD23 LEU 17 2HD2 LEU 17 -8.583 5.168 -3.891 96 H THR 18 H THR 18 -12.889 7.419 -2.864 97 HA THR 18 HA THR 18 -14.937 6.925 -0.823 98 HB THR 18 HB THR 18 -14.965 9.317 -2.675 99 HG1 THR 18 1HG THR 18 -13.532 9.308 -0.716 100 HG21 THR 18 3HG2 THR 18 -16.839 9.525 -0.562 101 HG22 THR 18 1HG2 THR 18 -17.058 7.941 -1.306 102 HG23 THR 18 2HG2 THR 18 -17.157 9.400 -2.292 103 H LEU 19 H LEU 19 -16.283 5.426 -1.549 104 HA LEU 19 HA LEU 19 -16.327 4.196 -3.955 105 HB2 LEU 19 1HB LEU 19 -18.433 4.667 -1.909 106 HB3 LEU 19 2HB LEU 19 -18.907 3.940 -3.443 107 HG LEU 19 HG LEU 19 -18.443 2.339 -1.552 108 HD11 LEU 19 1HD1 LEU 19 -16.789 2.058 -4.057 109 HD12 LEU 19 2HD1 LEU 19 -18.491 1.634 -3.886 110 HD13 LEU 19 3HD1 LEU 19 -17.266 0.748 -2.978 111 HD21 LEU 19 3HD2 LEU 19 -15.565 3.025 -2.125 112 HD22 LEU 19 1HD2 LEU 19 -16.181 1.861 -0.951 113 HD23 LEU 19 2HD2 LEU 19 -16.452 3.586 -0.707 114 HA PRO 20 HA PRO 20 -18.229 3.170 -5.143 115 HB2 PRO 20 1HB PRO 20 -18.023 2.802 -7.825 116 HB3 PRO 20 2HB PRO 20 -19.547 3.206 -7.025 117 HG2 PRO 20 1HG PRO 20 -17.641 4.994 -8.485 118 HG3 PRO 20 2HG PRO 20 -19.413 4.956 -8.550 119 HD2 PRO 20 1HD PRO 20 -18.048 6.776 -7.082 120 HD3 PRO 20 2HD PRO 20 -19.636 6.152 -6.592 121 H VAL 21 H VAL 21 -15.792 5.331 -5.894 122 HA VAL 21 HA VAL 21 -13.820 3.923 -7.188 123 HB VAL 21 HB VAL 21 -13.412 5.764 -4.827 124 HG11 VAL 21 1HG1 VAL 21 -11.301 4.998 -5.070 125 HG12 VAL 21 2HG1 VAL 21 -11.577 4.445 -6.724 126 HG13 VAL 21 3HG1 VAL 21 -11.269 6.152 -6.403 127 HG21 VAL 21 3HG2 VAL 21 -14.070 6.235 -7.677 128 HG22 VAL 21 1HG2 VAL 21 -14.489 7.175 -6.244 129 HG23 VAL 21 2HG2 VAL 21 -12.873 7.302 -6.940 130 H ASP 22 H ASP 22 -13.706 1.756 -6.717 131 HA ASP 22 HA ASP 22 -12.813 1.065 -3.994 132 HB2 ASP 22 1HB ASP 22 -14.632 -0.346 -5.902 133 HB3 ASP 22 2HB ASP 22 -13.652 -1.305 -4.797 134 H SER 23 H SER 23 -11.040 1.974 -5.984 135 HA SER 23 HA SER 23 -9.237 -0.281 -6.082 136 HB2 SER 23 1HB SER 23 -8.831 -0.061 -8.535 137 HB3 SER 23 2HB SER 23 -10.444 -0.661 -8.150 138 HG SER 23 HG SER 23 -10.914 1.785 -8.256 139 H THR 24 H THR 24 -7.187 0.371 -5.835 140 HA THR 24 HA THR 24 -6.370 3.035 -6.672 141 HB THR 24 HB THR 24 -7.268 3.236 -4.314 142 HG1 THR 24 1HG THR 24 -5.743 4.722 -3.911 143 HG21 THR 24 3HG2 THR 24 -5.675 2.465 -2.530 144 HG22 THR 24 1HG2 THR 24 -4.867 1.494 -3.761 145 HG23 THR 24 2HG2 THR 24 -6.551 1.171 -3.346 146 H THR 25 H THR 25 -3.974 3.364 -6.164 147 HA THR 25 HA THR 25 -2.539 0.799 -6.387 148 HB THR 25 HB THR 25 -0.896 2.015 -7.867 149 HG1 THR 25 1HG THR 25 -2.011 4.135 -7.191 150 HG21 THR 25 3HG2 THR 25 -2.646 0.454 -8.716 151 HG22 THR 25 1HG2 THR 25 -2.187 1.701 -9.875 152 HG23 THR 25 2HG2 THR 25 -3.698 1.844 -8.978 153 H LEU 26 H LEU 26 -0.922 0.523 -4.987 154 HA LEU 26 HA LEU 26 -0.026 2.856 -3.437 155 HB2 LEU 26 1HB LEU 26 0.050 -0.075 -2.739 156 HB3 LEU 26 2HB LEU 26 0.651 1.230 -1.719 157 HG LEU 26 HG LEU 26 -2.216 1.212 -2.567 158 HD11 LEU 26 1HD1 LEU 26 -2.825 -0.140 -0.677 159 HD12 LEU 26 2HD1 LEU 26 -1.136 -0.304 -0.197 160 HD13 LEU 26 3HD1 LEU 26 -1.703 -1.048 -1.692 161 HD21 LEU 26 3HD2 LEU 26 -0.703 2.952 -1.113 162 HD22 LEU 26 1HD2 LEU 26 -1.420 1.954 0.152 163 HD23 LEU 26 2HD2 LEU 26 -2.457 2.797 -1.000 164 H ASP 27 H ASP 27 1.563 3.512 -4.927 165 HA ASP 27 HA ASP 27 3.685 1.664 -5.631 166 HB2 ASP 27 1HB ASP 27 4.536 3.405 -7.030 167 HB3 ASP 27 2HB ASP 27 2.785 3.404 -7.218 168 H GLY 28 H GLY 28 5.529 1.419 -4.546 169 HA2 GLY 28 1HA GLY 28 6.208 3.458 -2.516 170 HA3 GLY 28 2HA GLY 28 6.483 1.737 -2.291 171 H SER 29 H SER 29 7.099 3.377 -5.319 172 HA SER 29 HA SER 29 9.714 2.375 -5.534 173 HB2 SER 29 1HB SER 29 9.927 3.824 -7.487 174 HB3 SER 29 2HB SER 29 8.334 3.067 -7.472 175 HG SER 29 HG SER 29 8.924 5.691 -6.559 176 H LYS 30 H LYS 30 8.447 5.234 -4.047 177 HA LYS 30 HA LYS 30 11.085 6.457 -3.817 178 HB2 LYS 30 1HB LYS 30 8.291 7.355 -3.180 179 HB3 LYS 30 2HB LYS 30 9.675 8.206 -2.508 180 HG2 LYS 30 1HG LYS 30 10.514 8.584 -4.797 181 HG3 LYS 30 2HG LYS 30 9.059 7.809 -5.428 182 HD2 LYS 30 1HD LYS 30 7.691 9.552 -4.783 183 HD3 LYS 30 2HD LYS 30 8.796 10.087 -3.515 184 HE2 LYS 30 1HE LYS 30 10.341 10.928 -5.197 185 HE3 LYS 30 2HE LYS 30 9.283 10.346 -6.481 186 HZ1 LYS 30 3HZ LYS 30 9.220 12.829 -5.511 187 HZ2 LYS 30 1HZ LYS 30 8.036 12.104 -4.544 188 HZ3 LYS 30 2HZ LYS 30 7.890 12.070 -6.229 189 H SER 31 H SER 31 11.116 4.086 -2.544 190 HA SER 31 HA SER 31 10.282 3.946 0.094 191 HB2 SER 31 1HB SER 31 12.719 2.791 -1.265 192 HB3 SER 31 2HB SER 31 12.288 2.410 0.402 193 HG SER 31 HG SER 31 10.589 2.023 -1.840 194 H SER 32 H SER 32 11.110 4.580 2.049 195 HA SER 32 HA SER 32 12.325 7.010 2.330 196 HB2 SER 32 1HB SER 32 12.544 4.662 4.230 197 HB3 SER 32 2HB SER 32 12.867 6.345 4.648 198 HG SER 32 HG SER 32 10.755 5.785 5.228 199 H ASP 33 H ASP 33 13.942 3.844 2.421 200 HA ASP 33 HA ASP 33 16.557 4.969 2.662 201 HB2 ASP 33 1HB ASP 33 17.324 2.799 2.777 202 HB3 ASP 33 2HB ASP 33 15.648 2.565 3.266 203 H ASP 34 H ASP 34 18.022 5.470 1.127 204 HA ASP 34 HA ASP 34 17.084 5.569 -1.622 205 HB2 ASP 34 1HB ASP 34 19.148 6.908 -2.010 206 HB3 ASP 34 2HB ASP 34 18.116 7.575 -0.748 207 H GLN 35 H GLN 35 18.970 3.537 0.318 208 HA GLN 35 HA GLN 35 20.814 2.623 -1.659 209 HB2 GLN 35 1HB GLN 35 19.967 1.684 1.052 210 HB3 GLN 35 2HB GLN 35 20.898 0.605 0.022 211 HG2 GLN 35 1HG GLN 35 21.880 3.380 0.450 212 HG3 GLN 35 2HG GLN 35 22.071 2.195 1.741 213 HE21 GLN 35 1HE2 GLN 35 24.367 2.679 1.294 214 HE22 GLN 35 2HE2 GLN 35 25.168 1.756 0.072 215 H LYS 36 H LYS 36 20.769 0.751 -2.890 216 HA LYS 36 HA LYS 36 18.597 0.030 -4.278 217 HB2 LYS 36 1HB LYS 36 20.987 -1.549 -3.431 218 HB3 LYS 36 2HB LYS 36 19.688 -2.379 -4.278 219 HG2 LYS 36 1HG LYS 36 19.927 -0.950 -6.181 220 HG3 LYS 36 2HG LYS 36 21.080 0.076 -5.323 221 HD2 LYS 36 1HD LYS 36 22.439 -1.267 -6.655 222 HD3 LYS 36 2HD LYS 36 22.482 -2.075 -5.086 223 HE2 LYS 36 1HE LYS 36 20.427 -3.384 -6.082 224 HE3 LYS 36 2HE LYS 36 21.141 -2.895 -7.618 225 HZ1 LYS 36 3HZ LYS 36 23.227 -3.925 -6.909 226 HZ2 LYS 36 1HZ LYS 36 21.962 -5.048 -6.955 227 HZ3 LYS 36 2HZ LYS 36 22.497 -4.436 -5.472 228 H ILE 37 H ILE 37 16.654 -0.770 -3.852 229 HA ILE 37 HA ILE 37 16.144 -1.989 -1.258 230 HB ILE 37 HB ILE 37 14.207 -1.255 -3.457 231 HG12 ILE 37 1HG1 ILE 37 13.614 0.558 -1.710 232 HG13 ILE 37 2HG1 ILE 37 15.189 0.199 -1.011 233 HG21 ILE 37 1HG2 ILE 37 13.473 -1.724 -0.597 234 HG22 ILE 37 2HG2 ILE 37 12.460 -1.794 -2.038 235 HG23 ILE 37 3HG2 ILE 37 13.621 -3.081 -1.713 236 HD11 ILE 37 3HD1 ILE 37 14.832 0.954 -3.893 237 HD12 ILE 37 1HD1 ILE 37 15.081 2.140 -2.612 238 HD13 ILE 37 2HD1 ILE 37 16.318 0.927 -2.943 239 H ILE 38 H ILE 38 15.730 -2.774 -4.698 240 HA ILE 38 HA ILE 38 15.181 -4.750 -5.734 241 HB ILE 38 HB ILE 38 16.760 -6.542 -5.311 242 HG12 ILE 38 1HG1 ILE 38 17.861 -5.002 -2.972 243 HG13 ILE 38 2HG1 ILE 38 16.585 -6.194 -2.753 244 HG21 ILE 38 1HG2 ILE 38 17.457 -3.842 -5.860 245 HG22 ILE 38 2HG2 ILE 38 18.769 -4.580 -4.943 246 HG23 ILE 38 3HG2 ILE 38 18.220 -5.319 -6.447 247 HD11 ILE 38 3HD1 ILE 38 18.558 -7.345 -2.307 248 HD12 ILE 38 1HD1 ILE 38 18.139 -7.817 -3.954 249 HD13 ILE 38 2HD1 ILE 38 19.400 -6.616 -3.675 250 H SER 39 H SER 39 13.509 -4.125 -3.421 251 HA SER 39 HA SER 39 12.311 -6.726 -3.099 252 HB2 SER 39 1HB SER 39 13.593 -7.108 -1.226 253 HB3 SER 39 2HB SER 39 13.776 -5.390 -0.870 254 HG SER 39 HG SER 39 12.302 -6.805 0.490 255 H TYR 40 H TYR 40 10.154 -6.558 -2.929 256 HA TYR 40 HA TYR 40 8.927 -4.164 -1.840 257 HB2 TYR 40 1HB TYR 40 8.552 -4.992 -4.724 258 HB3 TYR 40 2HB TYR 40 7.519 -3.840 -3.886 259 HD1 TYR 40 1HD TYR 40 8.826 -1.840 -2.736 260 HD2 TYR 40 2HD TYR 40 10.319 -4.174 -5.964 261 HE1 TYR 40 1HE TYR 40 10.368 -0.018 -3.332 262 HE2 TYR 40 2HE TYR 40 11.866 -2.360 -6.569 263 HH TYR 40 HH TYR 40 12.443 -0.231 -6.194 264 H LEU 41 H LEU 41 7.388 -4.876 -0.537 265 HA LEU 41 HA LEU 41 5.717 -7.130 -1.408 266 HB2 LEU 41 1HB LEU 41 7.466 -7.828 0.252 267 HB3 LEU 41 2HB LEU 41 6.693 -6.753 1.416 268 HG LEU 41 HG LEU 41 4.628 -8.106 1.233 269 HD11 LEU 41 1HD1 LEU 41 5.820 -10.462 0.113 270 HD12 LEU 41 2HD1 LEU 41 5.894 -9.135 -1.046 271 HD13 LEU 41 3HD1 LEU 41 4.343 -9.621 -0.360 272 HD21 LEU 41 3HD2 LEU 41 6.856 -9.978 1.908 273 HD22 LEU 41 1HD2 LEU 41 5.328 -9.701 2.744 274 HD23 LEU 41 2HD2 LEU 41 6.623 -8.509 2.857 275 H TRP 42 H TRP 42 3.573 -7.081 -0.728 276 HA TRP 42 HA TRP 42 2.705 -4.745 0.814 277 HB2 TRP 42 1HB TRP 42 1.748 -5.520 -1.937 278 HB3 TRP 42 2HB TRP 42 0.776 -4.526 -0.856 279 HD1 TRP 42 HD TRP 42 3.675 -4.351 -3.247 280 HE1 TRP 42 1HE TRP 42 4.517 -1.924 -3.404 281 HE3 TRP 42 3HE TRP 42 1.059 -2.330 0.653 282 HZ2 TRP 42 2HZ TRP 42 4.125 0.523 -2.053 283 HZ3 TRP 42 3HZ TRP 42 1.349 0.061 1.155 284 HH2 TRP 42 HH TRP 42 2.851 1.456 -0.171 285 H GLU 43 H GLU 43 1.578 -5.482 2.480 286 HA GLU 43 HA GLU 43 -0.407 -7.586 2.037 287 HB2 GLU 43 1HB GLU 43 1.645 -7.629 4.256 288 HB3 GLU 43 2HB GLU 43 0.275 -8.723 4.128 289 HG2 GLU 43 1HG GLU 43 1.184 -9.501 1.948 290 HG3 GLU 43 2HG GLU 43 2.612 -8.512 2.247 291 H LYS 44 H LYS 44 -2.188 -7.506 3.404 292 HA LYS 44 HA LYS 44 -2.567 -4.941 4.734 293 HB2 LYS 44 1HB LYS 44 -4.329 -5.586 3.239 294 HB3 LYS 44 2HB LYS 44 -4.471 -7.166 3.998 295 HG2 LYS 44 1HG LYS 44 -5.405 -6.221 5.972 296 HG3 LYS 44 2HG LYS 44 -5.047 -4.582 5.425 297 HD2 LYS 44 1HD LYS 44 -7.347 -4.890 5.020 298 HD3 LYS 44 2HD LYS 44 -6.566 -5.073 3.447 299 HE2 LYS 44 1HE LYS 44 -6.516 -7.616 4.183 300 HE3 LYS 44 2HE LYS 44 -7.884 -7.106 5.171 301 HZ1 LYS 44 3HZ LYS 44 -7.642 -6.874 2.222 302 HZ2 LYS 44 1HZ LYS 44 -8.913 -6.219 3.128 303 HZ3 LYS 44 2HZ LYS 44 -8.685 -7.894 3.077 304 H THR 45 H THR 45 -1.961 -4.817 6.791 305 HA THR 45 HA THR 45 -1.801 -7.120 8.495 306 HB THR 45 HB THR 45 -1.446 -5.160 10.256 307 HG1 THR 45 1HG THR 45 -0.578 -3.866 7.895 308 HG21 THR 45 3HG2 THR 45 0.878 -5.332 9.886 309 HG22 THR 45 1HG2 THR 45 0.665 -5.616 8.159 310 HG23 THR 45 2HG2 THR 45 0.208 -6.862 9.321 311 H GLN 46 H GLN 46 -3.888 -4.256 8.318 312 HA GLN 46 HA GLN 46 -5.830 -5.679 10.009 313 HB2 GLN 46 1HB GLN 46 -4.729 -2.935 10.305 314 HB3 GLN 46 2HB GLN 46 -6.443 -3.150 10.630 315 HG2 GLN 46 1HG GLN 46 -6.014 -4.697 12.368 316 HG3 GLN 46 2HG GLN 46 -4.315 -4.831 11.918 317 HE21 GLN 46 1HE2 GLN 46 -3.237 -4.059 13.603 318 HE22 GLN 46 2HE2 GLN 46 -3.497 -2.519 14.342 319 H GLY 47 H GLY 47 -8.031 -4.353 9.873 320 HA2 GLY 47 1HA GLY 47 -9.542 -3.161 8.454 321 HA3 GLY 47 2HA GLY 47 -8.485 -3.509 7.094 322 HA PRO 48 HA PRO 48 -12.115 -6.545 7.401 323 HB2 PRO 48 1HB PRO 48 -13.495 -5.676 5.231 324 HB3 PRO 48 2HB PRO 48 -13.770 -5.047 6.860 325 HG2 PRO 48 1HG PRO 48 -12.161 -3.876 4.624 326 HG3 PRO 48 2HG PRO 48 -13.279 -3.069 5.740 327 HD2 PRO 48 1HD PRO 48 -10.591 -2.986 6.057 328 HD3 PRO 48 2HD PRO 48 -11.716 -2.966 7.430 329 H ASP 49 H ASP 49 -12.176 -8.404 6.203 330 HA ASP 49 HA ASP 49 -10.164 -8.655 4.111 331 HB2 ASP 49 1HB ASP 49 -11.838 -10.748 5.516 332 HB3 ASP 49 2HB ASP 49 -10.577 -11.089 4.334 333 H GLY 50 H GLY 50 -10.675 -8.506 2.034 334 HA2 GLY 50 1HA GLY 50 -12.712 -9.870 0.740 335 HA3 GLY 50 2HA GLY 50 -13.362 -8.287 1.136 336 H VAL 51 H VAL 51 -10.714 -7.007 0.854 337 HA VAL 51 HA VAL 51 -10.909 -6.272 -1.863 338 HB VAL 51 HB VAL 51 -9.000 -4.895 -1.518 339 HG11 VAL 51 1HG1 VAL 51 -10.543 -3.721 -0.373 340 HG12 VAL 51 2HG1 VAL 51 -11.002 -5.099 0.630 341 HG13 VAL 51 3HG1 VAL 51 -9.560 -4.161 1.023 342 HG21 VAL 51 3HG2 VAL 51 -8.258 -6.987 0.384 343 HG22 VAL 51 1HG2 VAL 51 -7.242 -5.890 -0.552 344 HG23 VAL 51 2HG2 VAL 51 -7.952 -5.352 0.970 345 H GLN 52 H GLN 52 -9.007 -6.351 -3.387 346 HA GLN 52 HA GLN 52 -7.648 -8.959 -3.236 347 HB2 GLN 52 1HB GLN 52 -9.288 -7.782 -5.418 348 HB3 GLN 52 2HB GLN 52 -7.850 -8.677 -5.889 349 HG2 GLN 52 1HG GLN 52 -9.904 -9.825 -4.031 350 HG3 GLN 52 2HG GLN 52 -10.040 -9.954 -5.784 351 HE21 GLN 52 1HE2 GLN 52 -8.693 -11.256 -2.976 352 HE22 GLN 52 2HE2 GLN 52 -7.656 -12.422 -3.716 353 H LEU 53 H LEU 53 -5.529 -8.683 -3.123 354 HA LEU 53 HA LEU 53 -4.333 -6.237 -4.187 355 HB2 LEU 53 1HB LEU 53 -3.592 -8.235 -2.131 356 HB3 LEU 53 2HB LEU 53 -2.271 -7.465 -3.008 357 HG LEU 53 HG LEU 53 -4.353 -5.718 -1.797 358 HD11 LEU 53 1HD1 LEU 53 -3.631 -5.914 0.372 359 HD12 LEU 53 2HD1 LEU 53 -2.081 -6.616 -0.090 360 HD13 LEU 53 3HD1 LEU 53 -3.546 -7.594 -0.160 361 HD21 LEU 53 3HD2 LEU 53 -2.290 -5.050 -3.214 362 HD22 LEU 53 1HD2 LEU 53 -1.383 -5.361 -1.733 363 HD23 LEU 53 2HD2 LEU 53 -2.657 -4.141 -1.747 364 H GLU 54 H GLU 54 -3.293 -6.217 -6.062 365 HA GLU 54 HA GLU 54 -2.403 -8.787 -7.194 366 HB2 GLU 54 1HB GLU 54 -3.668 -6.380 -8.413 367 HB3 GLU 54 2HB GLU 54 -2.502 -7.273 -9.379 368 HG2 GLU 54 1HG GLU 54 -4.393 -8.349 -10.004 369 HG3 GLU 54 2HG GLU 54 -3.965 -9.328 -8.602 370 H ASN 55 H ASN 55 -0.337 -9.005 -7.890 371 HA ASN 55 HA ASN 55 1.888 -8.592 -8.109 372 HB2 ASN 55 1HB ASN 55 0.634 -6.024 -8.961 373 HB3 ASN 55 2HB ASN 55 2.375 -6.042 -8.693 374 HD21 ASN 55 1HD2 ASN 55 -0.173 -6.877 -10.780 375 HD22 ASN 55 2HD2 ASN 55 0.768 -7.658 -12.000 376 H ALA 56 H ALA 56 0.714 -8.458 -5.497 377 HA ALA 56 HA ALA 56 1.537 -6.301 -3.944 378 HB1 ALA 56 3HB ALA 56 0.093 -8.361 -3.333 379 HB2 ALA 56 1HB ALA 56 1.631 -9.094 -2.876 380 HB3 ALA 56 2HB ALA 56 1.091 -7.612 -2.087 381 H ASN 57 H ASN 57 3.384 -8.841 -5.381 382 HA ASN 57 HA ASN 57 5.697 -8.378 -3.684 383 HB2 ASN 57 1HB ASN 57 4.963 -10.656 -4.650 384 HB3 ASN 57 2HB ASN 57 5.665 -10.087 -6.162 385 HD21 ASN 57 1HD2 ASN 57 6.342 -12.168 -3.997 386 HD22 ASN 57 2HD2 ASN 57 8.034 -11.930 -3.743 387 H SER 58 H SER 58 4.668 -6.207 -5.348 388 HA SER 58 HA SER 58 7.135 -5.651 -6.838 389 HB2 SER 58 1HB SER 58 4.312 -5.264 -7.847 390 HB3 SER 58 2HB SER 58 5.716 -4.495 -8.585 391 HG SER 58 HG SER 58 4.831 -6.776 -9.244 392 H SER 59 H SER 59 7.421 -3.314 -7.287 393 HA SER 59 HA SER 59 7.218 -1.792 -4.960 394 HB2 SER 59 1HB SER 59 7.959 0.101 -6.323 395 HB3 SER 59 2HB SER 59 8.861 -1.352 -6.751 396 HG SER 59 HG SER 59 8.219 -0.398 -8.645 397 H VAL 60 H VAL 60 5.096 -2.006 -7.750 398 HA VAL 60 HA VAL 60 3.239 -0.139 -6.424 399 HB VAL 60 HB VAL 60 3.381 -0.799 -9.369 400 HG11 VAL 60 1HG1 VAL 60 1.311 0.314 -7.788 401 HG12 VAL 60 2HG1 VAL 60 1.977 1.606 -8.789 402 HG13 VAL 60 3HG1 VAL 60 1.373 0.129 -9.541 403 HG21 VAL 60 3HG2 VAL 60 3.946 1.836 -9.202 404 HG22 VAL 60 1HG2 VAL 60 4.698 1.253 -7.718 405 HG23 VAL 60 2HG2 VAL 60 5.172 0.571 -9.274 406 H ALA 61 H ALA 61 1.630 -1.176 -5.457 407 HA ALA 61 HA ALA 61 0.662 -3.701 -6.613 408 HB1 ALA 61 3HB ALA 61 -0.465 -3.845 -4.271 409 HB2 ALA 61 1HB ALA 61 1.255 -4.198 -4.441 410 HB3 ALA 61 2HB ALA 61 0.732 -2.629 -3.826 411 H THR 62 H THR 62 -1.647 -4.111 -6.574 412 HA THR 62 HA THR 62 -3.269 -1.654 -6.685 413 HB THR 62 HB THR 62 -3.513 -4.015 -8.560 414 HG1 THR 62 1HG THR 62 -2.904 -2.224 -10.087 415 HG21 THR 62 3HG2 THR 62 -4.884 -1.355 -8.823 416 HG22 THR 62 1HG2 THR 62 -5.607 -2.675 -7.905 417 HG23 THR 62 2HG2 THR 62 -5.266 -2.879 -9.624 418 H VAL 63 H VAL 63 -4.975 -1.691 -5.383 419 HA VAL 63 HA VAL 63 -5.956 -4.302 -4.432 420 HB VAL 63 HB VAL 63 -6.174 -1.627 -3.045 421 HG11 VAL 63 1HG1 VAL 63 -6.971 -4.413 -2.220 422 HG12 VAL 63 2HG1 VAL 63 -6.861 -3.051 -1.103 423 HG13 VAL 63 3HG1 VAL 63 -8.019 -3.011 -2.433 424 HG21 VAL 63 3HG2 VAL 63 -4.135 -1.969 -2.236 425 HG22 VAL 63 1HG2 VAL 63 -4.650 -3.522 -1.577 426 HG23 VAL 63 2HG2 VAL 63 -3.990 -3.432 -3.210 427 H THR 64 H THR 64 -8.036 -4.833 -4.739 428 HA THR 64 HA THR 64 -9.876 -2.744 -5.703 429 HB THR 64 HB THR 64 -10.751 -4.107 -7.388 430 HG1 THR 64 1HG THR 64 -10.988 -6.043 -6.261 431 HG21 THR 64 3HG2 THR 64 -8.312 -3.338 -7.700 432 HG22 THR 64 1HG2 THR 64 -8.945 -4.555 -8.806 433 HG23 THR 64 2HG2 THR 64 -7.897 -5.036 -7.472 434 H GLY 65 H GLY 65 -12.196 -3.366 -5.481 435 HA2 GLY 65 1HA GLY 65 -13.982 -4.175 -4.272 436 HA3 GLY 65 2HA GLY 65 -12.938 -5.468 -3.698 437 H LEU 66 H LEU 66 -12.519 -1.973 -3.314 438 HA LEU 66 HA LEU 66 -12.134 -2.335 -0.469 439 HB2 LEU 66 1HB LEU 66 -11.868 -0.021 -2.354 440 HB3 LEU 66 2HB LEU 66 -11.833 0.223 -0.609 441 HG LEU 66 HG LEU 66 -9.955 -1.730 -1.875 442 HD11 LEU 66 1HD1 LEU 66 -10.068 0.915 -2.702 443 HD12 LEU 66 2HD1 LEU 66 -8.707 -0.192 -2.882 444 HD13 LEU 66 3HD1 LEU 66 -8.788 0.887 -1.489 445 HD21 LEU 66 3HD2 LEU 66 -10.109 -0.124 0.642 446 HD22 LEU 66 1HD2 LEU 66 -8.548 -0.686 0.043 447 HD23 LEU 66 2HD2 LEU 66 -9.816 -1.850 0.428 448 H GLN 67 H GLN 67 -13.237 -0.961 1.112 449 HA GLN 67 HA GLN 67 -15.803 0.148 0.357 450 HB2 GLN 67 1HB GLN 67 -15.692 -2.111 2.359 451 HB3 GLN 67 2HB GLN 67 -17.126 -1.250 1.816 452 HG2 GLN 67 1HG GLN 67 -16.625 -2.113 -0.497 453 HG3 GLN 67 2HG GLN 67 -15.415 -3.155 0.250 454 HE21 GLN 67 1HE2 GLN 67 -16.196 -5.139 0.251 455 HE22 GLN 67 2HE2 GLN 67 -17.776 -5.607 0.767 456 H VAL 68 H VAL 68 -16.766 1.423 2.014 457 HA VAL 68 HA VAL 68 -15.161 3.074 3.437 458 HB VAL 68 HB VAL 68 -17.332 3.814 3.428 459 HG11 VAL 68 1HG1 VAL 68 -18.591 2.016 2.713 460 HG12 VAL 68 2HG1 VAL 68 -18.054 0.978 4.036 461 HG13 VAL 68 3HG1 VAL 68 -19.217 2.269 4.342 462 HG21 VAL 68 3HG2 VAL 68 -17.923 4.214 5.619 463 HG22 VAL 68 1HG2 VAL 68 -17.547 2.569 6.132 464 HG23 VAL 68 2HG2 VAL 68 -16.243 3.711 5.804 465 H GLY 69 H GLY 69 -13.709 2.763 4.983 466 HA2 GLY 69 1HA GLY 69 -14.134 1.697 7.476 467 HA3 GLY 69 2HA GLY 69 -13.606 0.334 6.499 468 H THR 70 H THR 70 -11.678 0.041 7.588 469 HA THR 70 HA THR 70 -9.635 2.075 7.021 470 HB THR 70 HB THR 70 -9.463 0.550 9.588 471 HG1 THR 70 1HG THR 70 -11.574 1.639 9.435 472 HG21 THR 70 3HG2 THR 70 -8.381 2.751 10.260 473 HG22 THR 70 1HG2 THR 70 -8.467 3.198 8.556 474 HG23 THR 70 2HG2 THR 70 -7.523 1.793 9.053 475 H TYR 71 H TYR 71 -8.011 1.227 5.909 476 HA TYR 71 HA TYR 71 -7.432 -1.645 6.236 477 HB2 TYR 71 1HB TYR 71 -7.194 0.039 3.734 478 HB3 TYR 71 2HB TYR 71 -6.693 -1.643 3.872 479 HD1 TYR 71 1HD TYR 71 -9.595 0.629 3.823 480 HD2 TYR 71 2HD TYR 71 -8.292 -3.421 3.793 481 HE1 TYR 71 1HE TYR 71 -11.864 -0.090 3.206 482 HE2 TYR 71 2HE TYR 71 -10.557 -4.151 3.174 483 HH TYR 71 HH TYR 71 -12.567 -3.400 2.328 484 H VAL 72 H VAL 72 -5.493 -2.072 7.035 485 HA VAL 72 HA VAL 72 -3.397 -0.013 6.828 486 HB VAL 72 HB VAL 72 -3.531 -2.261 8.839 487 HG11 VAL 72 1HG1 VAL 72 -2.027 -0.225 9.893 488 HG12 VAL 72 2HG1 VAL 72 -1.389 -1.673 9.112 489 HG13 VAL 72 3HG1 VAL 72 -1.587 -0.184 8.186 490 HG21 VAL 72 3HG2 VAL 72 -5.374 -0.391 8.854 491 HG22 VAL 72 1HG2 VAL 72 -4.602 -0.908 10.353 492 HG23 VAL 72 2HG2 VAL 72 -4.082 0.579 9.561 493 H PHE 73 H PHE 73 -2.116 -0.486 5.153 494 HA PHE 73 HA PHE 73 -1.341 -3.285 4.710 495 HB2 PHE 73 1HB PHE 73 -1.064 -0.907 2.860 496 HB3 PHE 73 2HB PHE 73 -0.665 -2.575 2.464 497 HD1 PHE 73 1HD PHE 73 -2.481 -4.268 2.315 498 HD2 PHE 73 2HD PHE 73 -3.278 -0.108 2.726 499 HE1 PHE 73 1HE PHE 73 -4.787 -4.637 1.539 500 HE2 PHE 73 2HE PHE 73 -5.586 -0.470 1.952 501 HZ PHE 73 HZ PHE 73 -6.343 -2.737 1.359 502 H THR 74 H THR 74 0.570 -3.898 5.447 503 HA THR 74 HA THR 74 2.592 -1.882 6.067 504 HB THR 74 HB THR 74 2.485 -4.823 6.766 505 HG1 THR 74 1HG THR 74 2.086 -3.953 8.883 506 HG21 THR 74 3HG2 THR 74 4.697 -3.070 6.703 507 HG22 THR 74 1HG2 THR 74 4.617 -4.689 7.396 508 HG23 THR 74 2HG2 THR 74 4.262 -3.283 8.399 509 H LEU 75 H LEU 75 3.909 -1.391 4.432 510 HA LEU 75 HA LEU 75 4.585 -3.353 2.411 511 HB2 LEU 75 1HB LEU 75 4.212 -1.249 1.500 512 HB3 LEU 75 2HB LEU 75 5.099 -0.430 2.784 513 HG LEU 75 HG LEU 75 7.162 -1.650 1.746 514 HD11 LEU 75 1HD1 LEU 75 6.617 -2.949 0.013 515 HD12 LEU 75 2HD1 LEU 75 6.467 -1.444 -0.892 516 HD13 LEU 75 3HD1 LEU 75 5.037 -2.190 -0.179 517 HD21 LEU 75 3HD2 LEU 75 5.822 0.695 0.403 518 HD22 LEU 75 1HD2 LEU 75 7.528 0.267 0.271 519 HD23 LEU 75 2HD2 LEU 75 6.862 0.766 1.826 520 H THR 76 H THR 76 6.096 -4.805 2.897 521 HA THR 76 HA THR 76 8.317 -4.080 4.646 522 HB THR 76 HB THR 76 7.899 -6.803 3.441 523 HG1 THR 76 1HG THR 76 6.061 -6.848 4.492 524 HG21 THR 76 3HG2 THR 76 9.320 -7.555 5.061 525 HG22 THR 76 1HG2 THR 76 8.825 -6.324 6.222 526 HG23 THR 76 2HG2 THR 76 9.932 -5.908 4.913 527 H VAL 77 H VAL 77 10.254 -3.540 3.893 528 HA VAL 77 HA VAL 77 11.063 -4.489 1.230 529 HB VAL 77 HB VAL 77 12.210 -2.237 0.931 530 HG11 VAL 77 1HG1 VAL 77 10.005 -1.127 0.253 531 HG12 VAL 77 2HG1 VAL 77 10.395 -2.685 -0.478 532 HG13 VAL 77 3HG1 VAL 77 9.232 -2.597 0.845 533 HG21 VAL 77 3HG2 VAL 77 11.867 -0.521 2.345 534 HG22 VAL 77 1HG2 VAL 77 10.178 -0.951 2.616 535 HG23 VAL 77 2HG2 VAL 77 11.454 -1.789 3.499 536 H LYS 78 H LYS 78 13.187 -5.040 1.010 537 HA LYS 78 HA LYS 78 14.878 -4.750 3.407 538 HB2 LYS 78 1HB LYS 78 14.349 -7.080 1.634 539 HB3 LYS 78 2HB LYS 78 15.984 -6.892 2.254 540 HG2 LYS 78 1HG LYS 78 15.251 -7.051 4.497 541 HG3 LYS 78 2HG LYS 78 13.558 -6.891 4.027 542 HD2 LYS 78 1HD LYS 78 15.132 -9.145 2.889 543 HD3 LYS 78 2HD LYS 78 14.629 -9.246 4.578 544 HE2 LYS 78 1HE LYS 78 12.293 -8.720 3.788 545 HE3 LYS 78 2HE LYS 78 12.884 -8.941 2.142 546 HZ1 LYS 78 3HZ LYS 78 13.162 -11.023 4.230 547 HZ2 LYS 78 1HZ LYS 78 13.357 -11.193 2.558 548 HZ3 LYS 78 2HZ LYS 78 11.818 -10.932 3.207 549 H ASP 79 H ASP 79 16.568 -3.476 3.092 550 HA ASP 79 HA ASP 79 17.358 -2.588 0.504 551 HB2 ASP 79 1HB ASP 79 17.543 -1.196 2.555 552 HB3 ASP 79 2HB ASP 79 18.816 -2.266 3.135 553 H GLU 80 H GLU 80 19.784 -2.611 -0.072 554 HA GLU 80 HA GLU 80 20.532 -5.178 -0.782 555 HB2 GLU 80 1HB GLU 80 21.425 -3.153 -1.849 556 HB3 GLU 80 2HB GLU 80 22.330 -2.780 -0.389 557 HG2 GLU 80 1HG GLU 80 23.362 -5.144 -0.768 558 HG3 GLU 80 2HG GLU 80 22.807 -4.901 -2.424 559 H ARG 81 H ARG 81 21.006 -3.504 2.203 560 HA ARG 81 HA ARG 81 23.000 -5.418 3.134 561 HB2 ARG 81 1HB ARG 81 21.949 -2.805 4.102 562 HB3 ARG 81 2HB ARG 81 22.575 -3.927 5.303 563 HG2 ARG 81 1HG ARG 81 24.655 -4.058 3.806 564 HG3 ARG 81 2HG ARG 81 24.018 -2.600 3.042 565 HD2 ARG 81 1HD ARG 81 23.810 -1.792 5.541 566 HD3 ARG 81 2HD ARG 81 25.063 -3.006 5.801 567 HE ARG 81 HE ARG 81 25.991 -1.558 3.700 568 HH11 ARG 81 2HH1 ARG 81 24.878 -0.749 6.898 569 HH12 ARG 81 1HH1 ARG 81 25.901 0.641 7.044 570 HH21 ARG 81 2HH2 ARG 81 27.342 0.270 3.880 571 HH22 ARG 81 1HH2 ARG 81 27.301 1.221 5.326 572 H ASN 82 H ASN 82 20.318 -6.335 2.522 573 HA ASN 82 HA ASN 82 18.563 -7.503 3.413 574 HB2 ASN 82 1HB ASN 82 20.651 -8.331 5.439 575 HB3 ASN 82 2HB ASN 82 19.224 -9.242 4.955 576 HD21 ASN 82 1HD2 ASN 82 20.819 -10.928 4.554 577 HD22 ASN 82 2HD2 ASN 82 21.633 -10.959 3.030 578 H LEU 83 H LEU 83 19.028 -4.770 4.497 579 HA LEU 83 HA LEU 83 18.433 -4.775 7.273 580 HB2 LEU 83 1HB LEU 83 18.185 -2.689 5.124 581 HB3 LEU 83 2HB LEU 83 17.735 -2.378 6.799 582 HG LEU 83 HG LEU 83 20.491 -3.315 6.064 583 HD11 LEU 83 1HD1 LEU 83 19.599 -1.115 4.909 584 HD12 LEU 83 2HD1 LEU 83 21.228 -1.214 5.577 585 HD13 LEU 83 3HD1 LEU 83 19.945 -0.428 6.497 586 HD21 LEU 83 3HD2 LEU 83 21.092 -2.325 8.174 587 HD22 LEU 83 1HD2 LEU 83 19.738 -3.427 8.421 588 HD23 LEU 83 2HD2 LEU 83 19.461 -1.686 8.383 589 H GLN 84 H GLN 84 16.576 -5.183 8.265 590 HA GLN 84 HA GLN 84 14.160 -5.536 6.695 591 HB2 GLN 84 1HB GLN 84 15.065 -7.045 8.637 592 HB3 GLN 84 2HB GLN 84 14.271 -5.863 9.670 593 HG2 GLN 84 1HG GLN 84 12.246 -6.329 8.043 594 HG3 GLN 84 2HG GLN 84 13.100 -7.853 7.809 595 HE21 GLN 84 1HE2 GLN 84 10.534 -7.033 9.188 596 HE22 GLN 84 2HE2 GLN 84 10.640 -7.772 10.746 597 H SER 85 H SER 85 12.649 -4.033 6.470 598 HA SER 85 HA SER 85 11.909 -2.264 8.598 599 HB2 SER 85 1HB SER 85 12.345 -0.197 7.079 600 HB3 SER 85 2HB SER 85 13.691 -0.874 7.995 601 HG SER 85 HG SER 85 14.267 -2.031 6.079 602 H GLN 86 H GLN 86 9.798 -1.889 8.430 603 HA GLN 86 HA GLN 86 8.563 -1.871 5.765 604 HB2 GLN 86 1HB GLN 86 6.719 -3.231 6.538 605 HB3 GLN 86 2HB GLN 86 8.228 -4.092 6.811 606 HG2 GLN 86 1HG GLN 86 8.039 -2.973 9.187 607 HG3 GLN 86 2HG GLN 86 6.328 -2.922 8.767 608 HE21 GLN 86 1HE2 GLN 86 8.948 -5.268 8.276 609 HE22 GLN 86 2HE2 GLN 86 8.099 -6.612 8.952 610 H SER 87 H SER 87 6.714 -0.590 5.550 611 HA SER 87 HA SER 87 6.077 1.131 7.852 612 HB2 SER 87 1HB SER 87 7.511 2.383 6.309 613 HB3 SER 87 2HB SER 87 6.414 2.020 4.976 614 HG SER 87 HG SER 87 6.090 4.112 5.942 615 H SER 88 H SER 88 3.966 1.427 8.252 616 HA SER 88 HA SER 88 2.060 0.147 6.430 617 HB2 SER 88 1HB SER 88 1.449 1.120 9.217 618 HB3 SER 88 2HB SER 88 0.603 -0.107 8.275 619 HG SER 88 HG SER 88 2.209 -1.529 8.655 620 H VAL 89 H VAL 89 0.298 1.205 5.593 621 HA VAL 89 HA VAL 89 0.253 4.130 5.965 622 HB VAL 89 HB VAL 89 0.985 3.572 3.718 623 HG11 VAL 89 1HG1 VAL 89 0.139 1.924 2.466 624 HG12 VAL 89 2HG1 VAL 89 -0.663 1.387 3.944 625 HG13 VAL 89 3HG1 VAL 89 -1.524 2.410 2.793 626 HG21 VAL 89 3HG2 VAL 89 -0.116 5.416 3.144 627 HG22 VAL 89 1HG2 VAL 89 -1.499 4.410 2.715 628 HG23 VAL 89 2HG2 VAL 89 -1.372 5.087 4.338 629 H ASN 90 H ASN 90 -1.653 5.102 6.420 630 HA ASN 90 HA ASN 90 -3.883 3.378 7.108 631 HB2 ASN 90 1HB ASN 90 -3.320 6.311 7.544 632 HB3 ASN 90 2HB ASN 90 -4.866 5.575 7.957 633 HD21 ASN 90 1HD2 ASN 90 -2.475 6.750 9.475 634 HD22 ASN 90 2HD2 ASN 90 -2.185 5.587 10.719 635 H VAL 91 H VAL 91 -5.288 2.845 5.575 636 HA VAL 91 HA VAL 91 -5.936 4.825 3.495 637 HB VAL 91 HB VAL 91 -6.277 1.823 3.454 638 HG11 VAL 91 1HG1 VAL 91 -8.028 2.591 2.137 639 HG12 VAL 91 2HG1 VAL 91 -7.108 3.978 1.548 640 HG13 VAL 91 3HG1 VAL 91 -6.731 2.356 0.966 641 HG21 VAL 91 3HG2 VAL 91 -4.031 3.436 2.922 642 HG22 VAL 91 1HG2 VAL 91 -4.225 1.711 2.613 643 HG23 VAL 91 2HG2 VAL 91 -4.638 2.883 1.361 644 H ILE 92 H ILE 92 -7.664 5.955 4.166 645 HA ILE 92 HA ILE 92 -9.868 4.568 5.497 646 HB ILE 92 HB ILE 92 -9.300 7.503 5.099 647 HG12 ILE 92 1HG1 ILE 92 -9.674 6.183 7.750 648 HG13 ILE 92 2HG1 ILE 92 -8.160 5.914 6.894 649 HG21 ILE 92 1HG2 ILE 92 -11.654 7.315 4.959 650 HG22 ILE 92 2HG2 ILE 92 -11.709 6.135 6.269 651 HG23 ILE 92 3HG2 ILE 92 -11.297 7.815 6.612 652 HD11 ILE 92 3HD1 ILE 92 -8.651 7.971 8.590 653 HD12 ILE 92 1HD1 ILE 92 -7.414 7.971 7.333 654 HD13 ILE 92 2HD1 ILE 92 -8.983 8.715 7.026 655 H VAL 93 H VAL 93 -11.802 4.215 4.574 656 HA VAL 93 HA VAL 93 -12.256 5.329 1.881 657 HB VAL 93 HB VAL 93 -13.269 2.663 2.871 658 HG11 VAL 93 1HG1 VAL 93 -14.674 3.051 1.150 659 HG12 VAL 93 2HG1 VAL 93 -13.615 4.257 0.417 660 HG13 VAL 93 3HG1 VAL 93 -13.296 2.539 0.176 661 HG21 VAL 93 3HG2 VAL 93 -10.907 3.250 1.087 662 HG22 VAL 93 1HG2 VAL 93 -10.839 2.609 2.728 663 HG23 VAL 93 2HG2 VAL 93 -11.558 1.649 1.436 664 H LYS 94 H LYS 94 -14.291 6.070 1.377 665 HA LYS 94 HA LYS 94 -16.274 6.066 3.555 666 HB2 LYS 94 1HB LYS 94 -15.163 8.337 1.985 667 HB3 LYS 94 2HB LYS 94 -16.875 8.389 2.385 668 HG2 LYS 94 1HG LYS 94 -15.840 9.551 4.116 669 HG3 LYS 94 2HG LYS 94 -16.144 7.949 4.792 670 HD2 LYS 94 1HD LYS 94 -13.954 8.376 5.435 671 HD3 LYS 94 2HD LYS 94 -13.750 7.409 3.973 672 HE2 LYS 94 1HE LYS 94 -12.240 9.193 3.745 673 HE3 LYS 94 2HE LYS 94 -13.610 9.617 2.720 674 HZ1 LYS 94 3HZ LYS 94 -14.444 10.934 4.680 675 HZ2 LYS 94 1HZ LYS 94 -13.065 11.546 3.915 676 HZ3 LYS 94 2HZ LYS 94 -12.921 10.716 5.381 677 H GLU 95 H GLU 95 -18.499 6.714 2.712 678 HA GLU 95 HA GLU 95 -19.021 5.136 0.308 679 HB2 GLU 95 1HB GLU 95 -20.865 6.194 2.456 680 HB3 GLU 95 2HB GLU 95 -21.407 5.287 1.051 681 HG2 GLU 95 1HG GLU 95 -19.919 3.418 1.794 682 HG3 GLU 95 2HG GLU 95 -19.641 4.321 3.282 683 H GLU 96 H GLU 96 -20.561 5.903 -1.288 684 HA GLU 96 HA GLU 96 -20.009 8.606 -2.058 685 HB2 GLU 96 1HB GLU 96 -20.273 6.655 -3.640 686 HB3 GLU 96 2HB GLU 96 -22.000 6.715 -3.314 687 HG2 GLU 96 1HG GLU 96 -20.470 9.079 -4.352 688 HG3 GLU 96 2HG GLU 96 -21.193 7.870 -5.411 689 H SER 97 H SER 97 -21.280 10.377 -1.939 690 HA SER 97 HA SER 97 -23.326 10.511 -0.029 691 HB2 SER 97 1HB SER 97 -21.906 12.431 -0.840 692 HB3 SER 97 2HB SER 97 -22.899 12.466 -2.297 693 HG SER 97 HG SER 97 -23.556 13.161 0.332 694 H GLY 98 H GLY 98 -25.088 9.246 -0.294 695 HA2 GLY 98 1HA GLY 98 -26.593 9.564 -2.818 696 HA3 GLY 98 2HA GLY 98 -26.573 8.075 -1.884 697 HA PRO 99 HA PRO 99 -29.957 11.227 -0.537 698 HB2 PRO 99 1HB PRO 99 -32.006 10.532 -2.178 699 HB3 PRO 99 2HB PRO 99 -30.856 11.817 -2.568 700 HG2 PRO 99 1HG PRO 99 -30.916 8.978 -3.514 701 HG3 PRO 99 2HG PRO 99 -30.594 10.458 -4.436 702 HD2 PRO 99 1HD PRO 99 -28.618 8.820 -3.572 703 HD3 PRO 99 2HD PRO 99 -28.406 10.576 -3.722 704 H SER 100 H SER 100 -30.537 10.300 1.330 705 HA SER 100 HA SER 100 -30.876 7.664 1.934 706 HB2 SER 100 1HB SER 100 -30.879 9.583 3.561 707 HB3 SER 100 2HB SER 100 -32.566 9.870 3.132 708 HG SER 100 HG SER 100 -31.790 7.295 3.916 709 H SER 101 H SER 101 -32.101 6.186 0.983 710 HA SER 101 HA SER 101 -34.332 6.700 -0.621 711 HB2 SER 101 1HB SER 101 -33.065 4.631 -0.826 712 HB3 SER 101 2HB SER 101 -33.538 4.148 0.803 713 HG SER 101 HG SER 101 -35.578 4.753 -0.993 714 H GLY 102 H GLY 102 -35.751 8.060 0.516 715 HA2 GLY 102 1HA GLY 102 -38.019 7.151 1.560 716 HA3 GLY 102 2HA GLY 102 -36.970 7.056 2.966
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