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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
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4585 |
1fd6 ![]() ![]() |
5151 | cing | recoord | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 17.595 -0.638 2.348 2 2H MET 1 HT2 MET 1 17.429 -2.020 3.323 3 3H MET 1 HT3 MET 1 16.705 -0.556 3.790 4 HA MET 1 HA MET 1 15.969 -2.076 1.339 5 1HB MET 1 HB2 MET 1 15.082 -2.099 4.208 6 2HB MET 1 HB1 MET 1 13.892 -2.413 2.944 7 1HG MET 1 HG2 MET 1 14.904 -4.388 2.287 8 2HG MET 1 HG1 MET 1 16.505 -3.864 2.811 9 1HE MET 1 HE1 MET 1 17.582 -4.409 4.901 10 2HE MET 1 HE2 MET 1 16.765 -4.525 6.458 11 3HE MET 1 HE3 MET 1 16.653 -3.037 5.521 12 H THR 2 HN THR 2 13.643 -1.328 0.771 13 HA THR 2 HA THR 2 13.564 1.654 0.887 14 HB THR 2 HB THR 2 12.133 -0.362 -0.876 15 HG1 THR 2 HG1 THR 2 14.472 1.195 -1.246 16 1HG2 THR 2 HG21 THR 2 10.892 1.667 -0.897 17 2HG2 THR 2 HG22 THR 2 11.906 1.724 -2.340 18 3HG2 THR 2 HG23 THR 2 12.358 2.649 -0.907 19 H THR 3 HN THR 3 12.278 2.366 2.550 20 HA THR 3 HA THR 3 10.115 0.789 3.653 21 HB THR 3 HB THR 3 10.831 3.695 4.102 22 HG1 THR 3 HG1 THR 3 12.595 2.962 4.928 23 1HG2 THR 3 HG21 THR 3 10.082 2.625 6.504 24 2HG2 THR 3 HG22 THR 3 9.041 1.734 5.394 25 3HG2 THR 3 HG23 THR 3 8.994 3.496 5.425 26 H PHE 4 HN PHE 4 8.429 0.549 2.137 27 HA PHE 4 HA PHE 4 7.402 2.890 0.656 28 1HB PHE 4 HB2 PHE 4 6.712 -0.053 0.841 29 2HB PHE 4 HB1 PHE 4 5.795 1.070 -0.160 30 HD1 PHE 4 HD1 PHE 4 7.035 2.395 -1.954 31 HD2 PHE 4 HD2 PHE 4 8.769 -0.947 0.112 32 HE1 PHE 4 HE1 PHE 4 8.730 2.163 -3.750 33 HE2 PHE 4 HE2 PHE 4 10.462 -1.179 -1.684 34 HZ PHE 4 HZ PHE 4 10.441 0.375 -3.615 35 H LYS 5 HN LYS 5 4.969 3.296 0.769 36 HA LYS 5 HA LYS 5 3.813 2.722 3.471 37 1HB LYS 5 HB2 LYS 5 4.535 5.311 2.171 38 2HB LYS 5 HB1 LYS 5 3.047 5.273 3.118 39 1HG LYS 5 HG2 LYS 5 4.168 5.146 5.084 40 2HG LYS 5 HG1 LYS 5 5.295 3.941 4.463 41 1HD LYS 5 HD2 LYS 5 6.649 5.835 4.896 42 2HD LYS 5 HD1 LYS 5 6.370 5.890 3.155 43 1HE LYS 5 HE2 LYS 5 5.126 7.805 3.295 44 2HE LYS 5 HE1 LYS 5 4.326 7.285 4.792 45 1HZ LYS 5 HZ1 LYS 5 7.143 8.209 4.560 46 2HZ LYS 5 HZ2 LYS 5 6.395 7.674 5.989 47 3HZ LYS 5 HZ3 LYS 5 5.866 9.100 5.232 48 H LEU 6 HN LEU 6 1.707 2.056 3.284 49 HA LEU 6 HA LEU 6 0.316 2.483 0.672 50 1HB LEU 6 HB2 LEU 6 0.693 0.164 1.353 51 2HB LEU 6 HB1 LEU 6 -0.044 0.476 2.923 52 HG LEU 6 HG LEU 6 -2.177 1.091 1.694 53 1HD1 LEU 6 HD11 LEU 6 -1.303 1.580 -0.498 54 2HD1 LEU 6 HD12 LEU 6 -2.329 0.154 -0.651 55 3HD1 LEU 6 HD13 LEU 6 -0.572 -0.019 -0.622 56 1HD2 LEU 6 HD21 LEU 6 -2.408 -1.468 0.869 57 2HD2 LEU 6 HD22 LEU 6 -2.423 -1.018 2.574 58 3HD2 LEU 6 HD23 LEU 6 -0.937 -1.612 1.830 59 H ILE 7 HN ILE 7 -1.306 3.997 0.680 60 HA ILE 7 HA ILE 7 -2.286 5.159 3.171 61 HB ILE 7 HB ILE 7 -1.914 6.144 0.735 62 1HG1 ILE 7 HG12 ILE 7 -3.793 7.818 1.246 63 2HG1 ILE 7 HG11 ILE 7 -4.136 6.819 2.658 64 1HG2 ILE 7 HG21 ILE 7 -3.620 4.511 -0.252 65 2HG2 ILE 7 HG22 ILE 7 -3.818 6.207 -0.690 66 3HG2 ILE 7 HG23 ILE 7 -4.857 5.487 0.539 67 1HD1 ILE 7 HD11 ILE 7 -2.058 7.271 3.643 68 2HD1 ILE 7 HD12 ILE 7 -2.470 8.819 2.905 69 3HD1 ILE 7 HD13 ILE 7 -1.325 7.739 2.109 70 H ILE 8 HN ILE 8 -4.741 5.181 3.613 71 HA ILE 8 HA ILE 8 -5.962 2.561 2.807 72 HB ILE 8 HB ILE 8 -6.045 3.941 5.511 73 1HG1 ILE 8 HG12 ILE 8 -4.632 1.377 4.717 74 2HG1 ILE 8 HG11 ILE 8 -3.818 2.937 4.836 75 1HG2 ILE 8 HG21 ILE 8 -6.979 1.175 4.695 76 2HG2 ILE 8 HG22 ILE 8 -8.053 2.557 4.903 77 3HG2 ILE 8 HG23 ILE 8 -7.155 1.923 6.281 78 1HD1 ILE 8 HD11 ILE 8 -5.473 2.127 7.170 79 2HD1 ILE 8 HD12 ILE 8 -3.928 2.976 7.127 80 3HD1 ILE 8 HD13 ILE 8 -3.978 1.226 6.914 81 H ASN 9 HN ASN 9 -6.964 4.155 1.141 82 HA ASN 9 HA ASN 9 -9.129 5.836 2.305 83 1HB ASN 9 HB2 ASN 9 -7.863 5.475 -0.413 84 2HB ASN 9 HB1 ASN 9 -9.369 6.370 -0.227 85 1HD2 ASN 9 HD21 ASN 9 -6.340 7.148 -0.742 86 2HD2 ASN 9 HD22 ASN 9 -6.114 8.448 0.326 87 H GLY 10 HN GLY 10 -9.537 3.178 2.814 88 1HA GLY 10 HA2 GLY 10 -11.444 2.209 0.738 89 2HA GLY 10 HA1 GLY 10 -10.714 1.204 1.994 90 H LYS 11 HN LYS 11 -13.452 1.155 1.650 91 HA LYS 11 HA LYS 11 -14.730 2.982 3.570 92 1HB LYS 11 HB2 LYS 11 -15.687 2.043 1.394 93 2HB LYS 11 HB1 LYS 11 -15.843 0.503 2.240 94 1HG LYS 11 HG2 LYS 11 -17.460 1.323 3.711 95 2HG LYS 11 HG1 LYS 11 -16.953 2.998 3.491 96 1HD LYS 11 HD2 LYS 11 -17.978 3.146 1.356 97 2HD LYS 11 HD1 LYS 11 -18.143 1.396 1.225 98 1HE LYS 11 HE2 LYS 11 -19.497 2.301 3.619 99 2HE LYS 11 HE1 LYS 11 -20.079 3.216 2.215 100 1HZ LYS 11 HZ1 LYS 11 -20.497 1.221 1.032 101 2HZ LYS 11 HZ2 LYS 11 -21.198 1.020 2.567 102 3HZ LYS 11 HZ3 LYS 11 -19.718 0.271 2.201 103 H THR 12 HN THR 12 -12.722 0.410 4.074 104 HA THR 12 HA THR 12 -14.320 -0.630 6.386 105 HB THR 12 HB THR 12 -11.999 -1.969 4.981 106 HG1 THR 12 HG1 THR 12 -14.771 -2.178 4.417 107 1HG2 THR 12 HG21 THR 12 -13.155 -2.622 7.306 108 2HG2 THR 12 HG22 THR 12 -12.589 -3.846 6.170 109 3HG2 THR 12 HG23 THR 12 -14.297 -3.409 6.216 110 H LEU 13 HN LEU 13 -11.190 0.650 5.312 111 HA LEU 13 HA LEU 13 -10.418 0.936 8.198 112 1HB LEU 13 HB2 LEU 13 -8.905 -0.228 5.862 113 2HB LEU 13 HB1 LEU 13 -8.053 0.402 7.272 114 HG LEU 13 HG LEU 13 -10.298 -1.605 7.523 115 1HD1 LEU 13 HD11 LEU 13 -8.169 -3.143 7.945 116 2HD1 LEU 13 HD12 LEU 13 -7.411 -1.997 6.839 117 3HD1 LEU 13 HD13 LEU 13 -8.821 -2.922 6.321 118 1HD2 LEU 13 HD21 LEU 13 -9.152 -2.037 9.696 119 2HD2 LEU 13 HD22 LEU 13 -9.703 -0.368 9.552 120 3HD2 LEU 13 HD23 LEU 13 -7.999 -0.758 9.316 121 H LYS 14 HN LYS 14 -8.466 2.509 8.345 122 HA LYS 14 HA LYS 14 -8.128 4.466 6.205 123 1HB LYS 14 HB2 LYS 14 -10.433 4.717 7.574 124 2HB LYS 14 HB1 LYS 14 -9.372 5.622 8.654 125 1HG LYS 14 HG2 LYS 14 -9.037 6.238 5.778 126 2HG LYS 14 HG1 LYS 14 -10.595 6.703 6.462 127 1HD LYS 14 HD2 LYS 14 -9.339 7.833 8.339 128 2HD LYS 14 HD1 LYS 14 -7.850 7.524 7.446 129 1HE LYS 14 HE2 LYS 14 -8.367 9.653 6.647 130 2HE LYS 14 HE1 LYS 14 -9.250 8.669 5.463 131 1HZ LYS 14 HZ1 LYS 14 -10.741 10.291 6.407 132 2HZ LYS 14 HZ2 LYS 14 -10.344 9.801 7.985 133 3HZ LYS 14 HZ3 LYS 14 -11.188 8.748 6.952 134 H GLY 15 HN GLY 15 -6.227 5.620 6.555 135 1HA GLY 15 HA2 GLY 15 -4.957 6.753 8.550 136 2HA GLY 15 HA1 GLY 15 -4.810 5.089 9.115 137 H GLU 16 HN GLU 16 -2.659 4.643 8.814 138 HA GLU 16 HA GLU 16 -1.654 4.548 6.030 139 1HB GLU 16 HB2 GLU 16 -1.250 6.846 7.137 140 2HB GLU 16 HB1 GLU 16 -0.101 6.003 8.177 141 1HG GLU 16 HG2 GLU 16 1.089 5.182 6.150 142 2HG GLU 16 HG1 GLU 16 -0.021 6.118 5.148 143 H THR 17 HN THR 17 0.216 3.159 5.844 144 HA THR 17 HA THR 17 1.088 1.720 8.308 145 HB THR 17 HB THR 17 0.028 0.428 5.772 146 HG1 THR 17 HG1 THR 17 -1.735 1.049 6.819 147 1HG2 THR 17 HG21 THR 17 1.687 -0.995 6.744 148 2HG2 THR 17 HG22 THR 17 0.126 -1.636 7.257 149 3HG2 THR 17 HG23 THR 17 1.096 -0.678 8.376 150 H THR 18 HN THR 18 3.144 0.621 8.007 151 HA THR 18 HA THR 18 4.606 1.317 5.484 152 HB THR 18 HB THR 18 6.532 1.905 6.958 153 HG1 THR 18 HG1 THR 18 6.107 0.757 8.776 154 1HG2 THR 18 HG21 THR 18 5.789 4.052 7.276 155 2HG2 THR 18 HG22 THR 18 4.293 3.531 8.053 156 3HG2 THR 18 HG23 THR 18 4.445 3.464 6.297 157 H THR 19 HN THR 19 6.776 0.033 5.468 158 HA THR 19 HA THR 19 6.846 -2.486 6.958 159 HB THR 19 HB THR 19 5.065 -2.915 5.313 160 HG1 THR 19 HG1 THR 19 6.429 -4.633 5.753 161 1HG2 THR 19 HG21 THR 19 7.141 -2.350 3.181 162 2HG2 THR 19 HG22 THR 19 5.898 -1.195 3.661 163 3HG2 THR 19 HG23 THR 19 5.438 -2.736 2.937 164 H GLU 20 HN GLU 20 8.509 -3.978 5.429 165 HA GLU 20 HA GLU 20 10.777 -2.152 4.709 166 1HB GLU 20 HB2 GLU 20 12.243 -3.864 5.775 167 2HB GLU 20 HB1 GLU 20 11.096 -3.166 6.913 168 1HG GLU 20 HG2 GLU 20 10.295 -5.216 7.377 169 2HG GLU 20 HG1 GLU 20 9.827 -5.421 5.692 170 H ALA 21 HN ALA 21 10.627 -2.353 2.465 171 HA ALA 21 HA ALA 21 10.975 -5.117 1.352 172 1HB ALA 21 HB1 ALA 21 9.228 -4.755 -0.093 173 2HB ALA 21 HB2 ALA 21 9.607 -3.042 -0.275 174 3HB ALA 21 HB3 ALA 21 8.722 -3.604 1.144 175 H VAL 22 HN VAL 22 12.527 -5.271 -0.287 176 HA VAL 22 HA VAL 22 14.594 -3.313 -0.465 177 HB VAL 22 HB VAL 22 14.839 -5.720 -0.954 178 1HG1 VAL 22 HG11 VAL 22 12.503 -5.587 -2.258 179 2HG1 VAL 22 HG12 VAL 22 13.699 -6.830 -2.621 180 3HG1 VAL 22 HG13 VAL 22 13.580 -5.396 -3.641 181 1HG2 VAL 22 HG21 VAL 22 16.510 -4.270 -1.933 182 2HG2 VAL 22 HG22 VAL 22 15.439 -3.862 -3.273 183 3HG2 VAL 22 HG23 VAL 22 16.092 -5.494 -3.132 184 H ASP 23 HN ASP 23 11.645 -3.774 -2.335 185 HA ASP 23 HA ASP 23 11.771 -1.088 -3.425 186 1HB ASP 23 HB2 ASP 23 12.003 -1.854 -5.814 187 2HB ASP 23 HB1 ASP 23 13.453 -2.102 -4.848 188 H ALA 24 HN ALA 24 9.965 -0.902 -5.218 189 HA ALA 24 HA ALA 24 7.467 -1.597 -4.143 190 1HB ALA 24 HB1 ALA 24 7.692 0.153 -5.761 191 2HB ALA 24 HB2 ALA 24 6.695 -1.084 -6.526 192 3HB ALA 24 HB3 ALA 24 8.403 -0.946 -6.944 193 H ALA 25 HN ALA 25 9.603 -3.501 -6.164 194 HA ALA 25 HA ALA 25 7.766 -5.387 -7.256 195 1HB ALA 25 HB1 ALA 25 10.437 -6.315 -6.328 196 2HB ALA 25 HB2 ALA 25 10.428 -4.910 -7.393 197 3HB ALA 25 HB3 ALA 25 9.704 -6.426 -7.928 198 H THR 26 HN THR 26 9.096 -5.065 -4.016 199 HA THR 26 HA THR 26 7.796 -7.648 -3.221 200 HB THR 26 HB THR 26 9.840 -6.056 -1.665 201 HG1 THR 26 HG1 THR 26 10.989 -6.413 -3.424 202 1HG2 THR 26 HG21 THR 26 10.138 -8.001 -0.438 203 2HG2 THR 26 HG22 THR 26 9.617 -9.040 -1.764 204 3HG2 THR 26 HG23 THR 26 8.424 -8.131 -0.835 205 H ALA 27 HN ALA 27 7.950 -4.186 -2.616 206 HA ALA 27 HA ALA 27 6.593 -4.032 -0.115 207 1HB ALA 27 HB1 ALA 27 6.082 -2.027 -2.275 208 2HB ALA 27 HB2 ALA 27 7.754 -2.292 -1.782 209 3HB ALA 27 HB3 ALA 27 6.559 -1.765 -0.597 210 H GLU 28 HN GLU 28 5.254 -3.875 -3.433 211 HA GLU 28 HA GLU 28 2.496 -3.656 -2.736 212 1HB GLU 28 HB2 GLU 28 3.651 -3.365 -4.985 213 2HB GLU 28 HB1 GLU 28 3.693 -5.124 -5.106 214 1HG GLU 28 HG2 GLU 28 1.103 -4.857 -4.515 215 2HG GLU 28 HG1 GLU 28 1.355 -3.271 -5.244 216 H LYS 29 HN LYS 29 4.543 -6.547 -3.203 217 HA LYS 29 HA LYS 29 2.539 -8.551 -3.036 218 1HB LYS 29 HB2 LYS 29 5.410 -8.483 -2.051 219 2HB LYS 29 HB1 LYS 29 4.463 -9.958 -2.252 220 1HG LYS 29 HG2 LYS 29 4.068 -8.909 -4.684 221 2HG LYS 29 HG1 LYS 29 5.620 -8.151 -4.324 222 1HD LYS 29 HD2 LYS 29 6.686 -10.269 -4.001 223 2HD LYS 29 HD1 LYS 29 5.140 -11.119 -3.989 224 1HE LYS 29 HE2 LYS 29 4.804 -10.749 -6.331 225 2HE LYS 29 HE1 LYS 29 6.123 -9.563 -6.401 226 1HZ LYS 29 HZ1 LYS 29 6.973 -11.652 -7.154 227 2HZ LYS 29 HZ2 LYS 29 6.355 -12.462 -5.795 228 3HZ LYS 29 HZ3 LYS 29 7.629 -11.352 -5.618 229 H VAL 30 HN VAL 30 4.189 -6.741 -0.471 230 HA VAL 30 HA VAL 30 2.931 -8.300 1.686 231 HB VAL 30 HB VAL 30 4.592 -5.754 1.610 232 1HG1 VAL 30 HG11 VAL 30 5.041 -6.582 4.059 233 2HG1 VAL 30 HG12 VAL 30 3.507 -7.430 3.861 234 3HG1 VAL 30 HG13 VAL 30 3.568 -5.673 3.715 235 1HG2 VAL 30 HG21 VAL 30 5.481 -8.131 0.835 236 2HG2 VAL 30 HG22 VAL 30 5.569 -8.421 2.572 237 3HG2 VAL 30 HG23 VAL 30 6.478 -7.092 1.853 238 H PHE 31 HN PHE 31 2.715 -4.946 0.439 239 HA PHE 31 HA PHE 31 0.593 -4.114 2.190 240 1HB PHE 31 HB2 PHE 31 1.823 -3.196 -0.391 241 2HB PHE 31 HB1 PHE 31 0.341 -2.421 0.168 242 HD1 PHE 31 HD1 PHE 31 0.537 -2.242 3.014 243 HD2 PHE 31 HD2 PHE 31 3.671 -1.866 0.101 244 HE1 PHE 31 HE1 PHE 31 1.853 -0.873 4.608 245 HE2 PHE 31 HE2 PHE 31 4.986 -0.499 1.697 246 HZ PHE 31 HZ PHE 31 4.079 -0.003 3.949 247 H LYS 32 HN LYS 32 0.604 -5.606 -1.039 248 HA LYS 32 HA LYS 32 -2.189 -5.309 -1.604 249 1HB LYS 32 HB2 LYS 32 -0.406 -5.945 -3.225 250 2HB LYS 32 HB1 LYS 32 -0.246 -7.502 -2.410 251 1HG LYS 32 HG2 LYS 32 -1.717 -8.035 -4.143 252 2HG LYS 32 HG1 LYS 32 -2.837 -7.669 -2.830 253 1HD LYS 32 HD2 LYS 32 -2.680 -5.214 -3.756 254 2HD LYS 32 HD1 LYS 32 -2.134 -6.010 -5.233 255 1HE LYS 32 HE2 LYS 32 -4.223 -7.530 -4.950 256 2HE LYS 32 HE1 LYS 32 -4.799 -6.274 -3.836 257 1HZ LYS 32 HZ1 LYS 32 -3.778 -5.726 -6.571 258 2HZ LYS 32 HZ2 LYS 32 -4.512 -4.619 -5.510 259 3HZ LYS 32 HZ3 LYS 32 -5.425 -5.877 -6.196 260 H GLN 33 HN GLN 33 -0.339 -7.939 -0.044 261 HA GLN 33 HA GLN 33 -2.513 -9.723 0.435 262 1HB GLN 33 HB2 GLN 33 -0.088 -10.248 0.626 263 2HB GLN 33 HB1 GLN 33 0.001 -9.221 2.058 264 1HG GLN 33 HG2 GLN 33 -0.264 -11.419 2.915 265 2HG GLN 33 HG1 GLN 33 -1.872 -10.701 3.023 266 1HE2 GLN 33 HE21 GLN 33 -3.451 -12.133 2.314 267 2HE2 GLN 33 HE22 GLN 33 -3.259 -13.258 1.057 268 H TYR 34 HN TYR 34 -1.375 -6.902 2.130 269 HA TYR 34 HA TYR 34 -2.944 -7.238 4.548 270 1HB TYR 34 HB2 TYR 34 -1.071 -5.825 4.723 271 2HB TYR 34 HB1 TYR 34 -1.367 -5.073 3.160 272 HD1 TYR 34 HD1 TYR 34 -2.803 -3.155 2.949 273 HD2 TYR 34 HD2 TYR 34 -2.428 -5.196 6.704 274 HE1 TYR 34 HE1 TYR 34 -3.967 -1.279 4.074 275 HE2 TYR 34 HE2 TYR 34 -3.594 -3.319 7.841 276 HH TYR 34 HH TYR 34 -3.935 -0.814 7.367 277 H ALA 35 HN ALA 35 -3.315 -5.035 1.744 278 HA ALA 35 HA ALA 35 -5.948 -4.122 2.388 279 1HB ALA 35 HB1 ALA 35 -4.867 -2.811 0.813 280 2HB ALA 35 HB2 ALA 35 -5.825 -3.814 -0.277 281 3HB ALA 35 HB3 ALA 35 -4.129 -4.204 0.016 282 H ASN 36 HN ASN 36 -4.858 -6.711 0.167 283 HA ASN 36 HA ASN 36 -7.348 -7.565 -0.815 284 1HB ASN 36 HB2 ASN 36 -4.972 -8.259 -1.445 285 2HB ASN 36 HB1 ASN 36 -5.032 -9.365 -0.073 286 1HD2 ASN 36 HD21 ASN 36 -5.332 -11.412 -1.004 287 2HD2 ASN 36 HD22 ASN 36 -6.539 -11.785 -2.137 288 H ASP 37 HN ASP 37 -5.787 -8.272 2.275 289 HA ASP 37 HA ASP 37 -7.583 -10.391 3.097 290 1HB ASP 37 HB2 ASP 37 -5.497 -8.616 4.285 291 2HB ASP 37 HB1 ASP 37 -6.601 -9.415 5.405 292 H ASN 38 HN ASN 38 -7.398 -6.913 3.936 293 HA ASN 38 HA ASN 38 -9.852 -6.910 5.482 294 1HB ASN 38 HB2 ASN 38 -8.060 -4.826 4.218 295 2HB ASN 38 HB1 ASN 38 -9.516 -4.373 5.105 296 1HD2 ASN 38 HD21 ASN 38 -6.243 -4.768 5.540 297 2HD2 ASN 38 HD22 ASN 38 -6.223 -5.140 7.196 298 H GLY 39 HN GLY 39 -9.032 -5.833 2.168 299 1HA GLY 39 HA2 GLY 39 -10.792 -6.491 0.445 300 2HA GLY 39 HA1 GLY 39 -11.961 -5.787 1.562 301 H ILE 40 HN ILE 40 -8.745 -4.558 0.615 302 HA ILE 40 HA ILE 40 -10.082 -2.012 -0.207 303 HB ILE 40 HB ILE 40 -7.236 -2.678 0.621 304 1HG1 ILE 40 HG12 ILE 40 -9.437 -1.129 2.028 305 2HG1 ILE 40 HG11 ILE 40 -8.958 -2.780 2.421 306 1HG2 ILE 40 HG21 ILE 40 -7.159 -0.083 0.786 307 2HG2 ILE 40 HG22 ILE 40 -8.558 -0.116 -0.286 308 3HG2 ILE 40 HG23 ILE 40 -7.020 -0.801 -0.822 309 1HD1 ILE 40 HD11 ILE 40 -7.925 -0.601 3.657 310 2HD1 ILE 40 HD12 ILE 40 -6.761 -0.785 2.344 311 3HD1 ILE 40 HD13 ILE 40 -7.037 -2.114 3.470 312 H ASP 41 HN ASP 41 -10.576 -3.326 -2.278 313 HA ASP 41 HA ASP 41 -8.250 -3.579 -4.119 314 1HB ASP 41 HB2 ASP 41 -10.110 -5.313 -3.800 315 2HB ASP 41 HB1 ASP 41 -11.185 -4.168 -4.603 316 H GLY 42 HN GLY 42 -8.789 -0.951 -3.341 317 1HA GLY 42 HA2 GLY 42 -10.613 0.431 -5.086 318 2HA GLY 42 HA1 GLY 42 -9.324 1.170 -4.136 319 H GLU 43 HN GLU 43 -8.298 2.430 -5.591 320 HA GLU 43 HA GLU 43 -7.359 1.191 -8.114 321 1HB GLU 43 HB2 GLU 43 -8.100 4.019 -7.336 322 2HB GLU 43 HB1 GLU 43 -7.251 3.648 -8.837 323 1HG GLU 43 HG2 GLU 43 -9.253 1.856 -9.028 324 2HG GLU 43 HG1 GLU 43 -10.071 3.089 -8.068 325 H TRP 44 HN TRP 44 -5.334 0.467 -7.517 326 HA TRP 44 HA TRP 44 -3.651 1.829 -5.650 327 1HB TRP 44 HB2 TRP 44 -3.322 -0.430 -7.604 328 2HB TRP 44 HB1 TRP 44 -1.981 0.123 -6.591 329 HD1 TRP 44 HD1 TRP 44 -5.666 -0.968 -6.172 330 HE1 TRP 44 HE1 TRP 44 -5.893 -2.142 -3.886 331 HE3 TRP 44 HE3 TRP 44 -0.902 -0.419 -4.421 332 HZ2 TRP 44 HZ2 TRP 44 -4.272 -2.745 -1.616 333 HZ3 TRP 44 HZ3 TRP 44 -0.270 -1.302 -2.194 334 HH2 TRP 44 HH2 TRP 44 -1.947 -2.470 -0.790 335 H THR 45 HN THR 45 -1.923 3.112 -5.943 336 HA THR 45 HA THR 45 -0.897 3.751 -8.638 337 HB THR 45 HB THR 45 -1.214 6.250 -7.906 338 HG1 THR 45 HG1 THR 45 -2.982 6.540 -6.558 339 1HG2 THR 45 HG21 THR 45 -3.645 4.626 -8.700 340 2HG2 THR 45 HG22 THR 45 -2.356 5.091 -9.811 341 3HG2 THR 45 HG23 THR 45 -3.353 6.330 -9.048 342 H TYR 46 HN TYR 46 1.287 4.069 -8.446 343 HA TYR 46 HA TYR 46 2.420 4.174 -5.691 344 1HB TYR 46 HB2 TYR 46 3.077 2.298 -7.049 345 2HB TYR 46 HB1 TYR 46 3.396 3.327 -8.438 346 HD1 TYR 46 HD1 TYR 46 4.557 2.667 -4.929 347 HD2 TYR 46 HD2 TYR 46 5.554 4.130 -8.843 348 HE1 TYR 46 HE1 TYR 46 6.932 2.834 -4.260 349 HE2 TYR 46 HE2 TYR 46 7.932 4.304 -8.172 350 HH TYR 46 HH TYR 46 9.242 2.780 -5.660 351 H ASP 47 HN ASP 47 2.781 6.286 -5.086 352 HA ASP 47 HA ASP 47 3.457 8.384 -7.025 353 1HB ASP 47 HB2 ASP 47 2.793 8.092 -4.139 354 2HB ASP 47 HB1 ASP 47 3.767 9.496 -4.574 355 H ASP 48 HN ASP 48 5.530 8.318 -7.824 356 HA ASP 48 HA ASP 48 7.797 7.195 -6.450 357 1HB ASP 48 HB2 ASP 48 9.027 8.228 -8.347 358 2HB ASP 48 HB1 ASP 48 7.574 7.389 -8.892 359 H ALA 49 HN ALA 49 6.294 10.342 -6.303 360 HA ALA 49 HA ALA 49 8.404 12.051 -5.617 361 1HB ALA 49 HB1 ALA 49 5.585 11.880 -4.513 362 2HB ALA 49 HB2 ALA 49 6.078 12.738 -5.972 363 3HB ALA 49 HB3 ALA 49 6.626 13.299 -4.393 364 H THR 50 HN THR 50 6.580 9.841 -3.489 365 HA THR 50 HA THR 50 8.824 9.985 -1.520 366 HB THR 50 HB THR 50 7.126 10.255 0.276 367 HG1 THR 50 HG1 THR 50 5.134 9.908 -0.216 368 1HG2 THR 50 HG21 THR 50 6.563 12.589 -0.193 369 2HG2 THR 50 HG22 THR 50 6.870 12.339 -1.911 370 3HG2 THR 50 HG23 THR 50 8.200 12.247 -0.755 371 H LYS 51 HN LYS 51 7.462 7.955 -3.515 372 HA LYS 51 HA LYS 51 6.951 5.651 -3.539 373 1HB LYS 51 HB2 LYS 51 9.171 6.253 -1.793 374 2HB LYS 51 HB1 LYS 51 8.300 4.857 -1.159 375 1HG LYS 51 HG2 LYS 51 9.693 3.785 -2.656 376 2HG LYS 51 HG1 LYS 51 8.327 4.130 -3.720 377 1HD LYS 51 HD2 LYS 51 9.469 5.730 -4.893 378 2HD LYS 51 HD1 LYS 51 10.348 6.291 -3.470 379 1HE LYS 51 HE2 LYS 51 10.960 3.560 -4.578 380 2HE LYS 51 HE1 LYS 51 11.666 4.997 -5.346 381 1HZ LYS 51 HZ1 LYS 51 13.025 4.122 -3.486 382 2HZ LYS 51 HZ2 LYS 51 11.740 4.455 -2.426 383 3HZ LYS 51 HZ3 LYS 51 12.518 5.723 -3.247 384 H THR 52 HN THR 52 4.668 5.814 -3.050 385 HA THR 52 HA THR 52 3.958 4.648 -0.432 386 HB THR 52 HB THR 52 2.908 7.341 -1.355 387 HG1 THR 52 HG1 THR 52 4.185 8.171 0.241 388 1HG2 THR 52 HG21 THR 52 1.806 7.404 0.822 389 2HG2 THR 52 HG22 THR 52 2.500 5.838 1.244 390 3HG2 THR 52 HG23 THR 52 1.306 5.953 -0.048 391 H PHE 53 HN PHE 53 2.782 2.937 -1.258 392 HA PHE 53 HA PHE 53 1.247 2.924 -3.675 393 1HB PHE 53 HB2 PHE 53 1.089 1.324 -1.097 394 2HB PHE 53 HB1 PHE 53 0.201 0.898 -2.560 395 HD1 PHE 53 HD1 PHE 53 1.359 0.092 -4.555 396 HD2 PHE 53 HD2 PHE 53 3.526 1.118 -0.991 397 HE1 PHE 53 HE1 PHE 53 3.364 -1.068 -5.440 398 HE2 PHE 53 HE2 PHE 53 5.531 -0.040 -1.874 399 HZ PHE 53 HZ PHE 53 5.449 -1.136 -4.101 400 H THR 54 HN THR 54 -0.651 4.034 -4.073 401 HA THR 54 HA THR 54 -2.263 4.883 -1.679 402 HB THR 54 HB THR 54 -2.019 6.105 -4.439 403 HG1 THR 54 HG1 THR 54 -0.839 6.765 -1.950 404 1HG2 THR 54 HG21 THR 54 -3.348 7.858 -3.682 405 2HG2 THR 54 HG22 THR 54 -3.007 7.517 -1.986 406 3HG2 THR 54 HG23 THR 54 -4.114 6.482 -2.888 407 H VAL 55 HN VAL 55 -3.766 3.083 -1.621 408 HA VAL 55 HA VAL 55 -5.380 2.596 -4.037 409 HB VAL 55 HB VAL 55 -4.480 0.670 -2.696 410 1HG1 VAL 55 HG11 VAL 55 -6.498 1.501 -0.623 411 2HG1 VAL 55 HG12 VAL 55 -4.775 1.854 -0.469 412 3HG1 VAL 55 HG13 VAL 55 -5.330 0.177 -0.516 413 1HG2 VAL 55 HG21 VAL 55 -7.491 0.827 -2.584 414 2HG2 VAL 55 HG22 VAL 55 -6.502 -0.622 -2.747 415 3HG2 VAL 55 HG23 VAL 55 -6.587 0.540 -4.071 416 H THR 56 HN THR 56 -7.809 2.479 -3.641 417 HA THR 56 HA THR 56 -8.898 4.092 -1.441 418 HB THR 56 HB THR 56 -8.862 4.995 -4.335 419 HG1 THR 56 HG1 THR 56 -7.044 5.760 -3.603 420 1HG2 THR 56 HG21 THR 56 -10.833 5.495 -2.412 421 2HG2 THR 56 HG22 THR 56 -10.552 6.426 -3.883 422 3HG2 THR 56 HG23 THR 56 -9.806 6.928 -2.367 423 H GLU 57 HN GLU 57 -10.527 2.627 -0.968 424 HA GLU 57 HA GLU 57 -12.276 1.703 -3.227 425 1HB GLU 57 HB2 GLU 57 -10.799 0.046 -1.939 426 2HB GLU 57 HB1 GLU 57 -11.841 0.356 -0.550 427 1HG GLU 57 HG2 GLU 57 -13.171 -0.297 -3.140 428 2HG GLU 57 HG1 GLU 57 -12.363 -1.614 -2.288 Start of MODEL 2 1 1H MET 1 HT1 MET 1 17.342 -2.447 4.709 2 2H MET 1 HT2 MET 1 15.973 -1.649 5.323 3 3H MET 1 HT3 MET 1 17.154 -0.779 4.464 4 HA MET 1 HA MET 1 16.622 -2.140 2.460 5 1HB MET 1 HB2 MET 1 14.853 -3.261 4.588 6 2HB MET 1 HB1 MET 1 14.192 -3.185 2.954 7 1HG MET 1 HG2 MET 1 16.145 -4.414 2.095 8 2HG MET 1 HG1 MET 1 16.827 -4.478 3.720 9 1HE MET 1 HE1 MET 1 15.842 -5.196 5.589 10 2HE MET 1 HE2 MET 1 15.225 -6.842 5.699 11 3HE MET 1 HE3 MET 1 14.100 -5.486 5.693 12 H THR 2 HN THR 2 14.209 -1.758 1.384 13 HA THR 2 HA THR 2 13.789 1.137 1.548 14 HB THR 2 HB THR 2 12.240 -0.992 0.041 15 HG1 THR 2 HG1 THR 2 13.822 -1.021 -1.384 16 1HG2 THR 2 HG21 THR 2 12.622 1.986 -0.253 17 2HG2 THR 2 HG22 THR 2 11.112 1.081 -0.144 18 3HG2 THR 2 HG23 THR 2 12.097 0.983 -1.605 19 H THR 3 HN THR 3 11.918 2.166 2.356 20 HA THR 3 HA THR 3 10.079 0.467 3.943 21 HB THR 3 HB THR 3 10.790 3.359 4.432 22 HG1 THR 3 HG1 THR 3 12.702 2.376 4.652 23 1HG2 THR 3 HG21 THR 3 9.857 3.028 6.572 24 2HG2 THR 3 HG22 THR 3 9.946 1.272 6.435 25 3HG2 THR 3 HG23 THR 3 8.753 2.170 5.496 26 H PHE 4 HN PHE 4 8.505 0.290 2.233 27 HA PHE 4 HA PHE 4 7.453 2.685 0.910 28 1HB PHE 4 HB2 PHE 4 6.573 -0.217 1.042 29 2HB PHE 4 HB1 PHE 4 5.877 0.983 -0.044 30 HD1 PHE 4 HD1 PHE 4 7.252 1.988 -1.854 31 HD2 PHE 4 HD2 PHE 4 8.748 -1.167 0.649 32 HE1 PHE 4 HE1 PHE 4 9.081 1.563 -3.476 33 HE2 PHE 4 HE2 PHE 4 10.575 -1.588 -0.973 34 HZ PHE 4 HZ PHE 4 10.739 -0.222 -3.036 35 H LYS 5 HN LYS 5 5.010 3.095 1.037 36 HA LYS 5 HA LYS 5 3.806 2.430 3.683 37 1HB LYS 5 HB2 LYS 5 5.132 4.512 3.911 38 2HB LYS 5 HB1 LYS 5 4.229 5.225 2.576 39 1HG LYS 5 HG2 LYS 5 2.122 4.663 3.996 40 2HG LYS 5 HG1 LYS 5 3.258 4.518 5.338 41 1HD LYS 5 HD2 LYS 5 3.745 6.765 5.352 42 2HD LYS 5 HD1 LYS 5 3.510 6.933 3.612 43 1HE LYS 5 HE2 LYS 5 0.967 6.281 4.439 44 2HE LYS 5 HE1 LYS 5 1.557 7.263 5.796 45 1HZ LYS 5 HZ1 LYS 5 0.719 8.755 4.160 46 2HZ LYS 5 HZ2 LYS 5 1.576 7.981 2.915 47 3HZ LYS 5 HZ3 LYS 5 2.411 8.860 4.106 48 H LEU 6 HN LEU 6 1.826 1.604 3.108 49 HA LEU 6 HA LEU 6 0.472 2.566 0.647 50 1HB LEU 6 HB2 LEU 6 0.698 0.159 1.046 51 2HB LEU 6 HB1 LEU 6 -0.081 0.322 2.619 52 HG LEU 6 HG LEU 6 -2.113 1.250 1.372 53 1HD1 LEU 6 HD11 LEU 6 -1.215 1.843 -0.743 54 2HD1 LEU 6 HD12 LEU 6 -2.185 0.404 -1.055 55 3HD1 LEU 6 HD13 LEU 6 -0.428 0.277 -0.937 56 1HD2 LEU 6 HD21 LEU 6 -1.102 -1.557 1.308 57 2HD2 LEU 6 HD22 LEU 6 -2.543 -1.195 0.357 58 3HD2 LEU 6 HD23 LEU 6 -2.538 -0.897 2.096 59 H ILE 7 HN ILE 7 -1.156 4.063 0.768 60 HA ILE 7 HA ILE 7 -2.097 5.045 3.354 61 HB ILE 7 HB ILE 7 -1.680 6.205 0.993 62 1HG1 ILE 7 HG12 ILE 7 -3.590 7.863 1.674 63 2HG1 ILE 7 HG11 ILE 7 -3.732 6.818 3.085 64 1HG2 ILE 7 HG21 ILE 7 -4.652 5.700 0.787 65 2HG2 ILE 7 HG22 ILE 7 -3.466 4.751 -0.108 66 3HG2 ILE 7 HG23 ILE 7 -3.599 6.486 -0.388 67 1HD1 ILE 7 HD11 ILE 7 -0.990 7.677 2.288 68 2HD1 ILE 7 HD12 ILE 7 -1.655 7.395 3.897 69 3HD1 ILE 7 HD13 ILE 7 -2.034 8.886 3.035 70 H ILE 8 HN ILE 8 -4.618 5.161 3.676 71 HA ILE 8 HA ILE 8 -5.863 2.608 2.711 72 HB ILE 8 HB ILE 8 -5.960 3.841 5.487 73 1HG1 ILE 8 HG12 ILE 8 -4.643 1.265 4.578 74 2HG1 ILE 8 HG11 ILE 8 -3.767 2.780 4.792 75 1HG2 ILE 8 HG21 ILE 8 -6.978 1.554 6.014 76 2HG2 ILE 8 HG22 ILE 8 -7.193 1.360 4.275 77 3HG2 ILE 8 HG23 ILE 8 -8.009 2.673 5.124 78 1HD1 ILE 8 HD11 ILE 8 -5.163 1.112 6.883 79 2HD1 ILE 8 HD12 ILE 8 -4.793 2.813 7.165 80 3HD1 ILE 8 HD13 ILE 8 -3.489 1.666 6.859 81 H ASN 9 HN ASN 9 -6.750 4.364 1.128 82 HA ASN 9 HA ASN 9 -8.938 5.990 2.326 83 1HB ASN 9 HB2 ASN 9 -7.247 5.997 -0.094 84 2HB ASN 9 HB1 ASN 9 -8.931 6.417 -0.401 85 1HD2 ASN 9 HD21 ASN 9 -6.517 8.220 -0.418 86 2HD2 ASN 9 HD22 ASN 9 -6.857 9.436 0.716 87 H GLY 10 HN GLY 10 -9.380 3.275 2.540 88 1HA GLY 10 HA2 GLY 10 -11.134 2.483 0.281 89 2HA GLY 10 HA1 GLY 10 -10.614 1.430 1.598 90 H LYS 11 HN LYS 11 -13.281 1.494 0.920 91 HA LYS 11 HA LYS 11 -14.746 3.375 2.631 92 1HB LYS 11 HB2 LYS 11 -15.444 2.377 0.386 93 2HB LYS 11 HB1 LYS 11 -15.727 0.867 1.250 94 1HG LYS 11 HG2 LYS 11 -17.581 1.674 2.334 95 2HG LYS 11 HG1 LYS 11 -16.935 3.313 2.433 96 1HD LYS 11 HD2 LYS 11 -17.478 3.759 0.138 97 2HD LYS 11 HD1 LYS 11 -17.854 2.063 -0.166 98 1HE LYS 11 HE2 LYS 11 -19.944 2.229 0.767 99 2HE LYS 11 HE1 LYS 11 -19.397 3.354 2.027 100 1HZ LYS 11 HZ1 LYS 11 -20.761 4.511 0.404 101 2HZ LYS 11 HZ2 LYS 11 -19.743 3.997 -0.856 102 3HZ LYS 11 HZ3 LYS 11 -19.161 5.070 0.327 103 H THR 12 HN THR 12 -12.907 0.707 3.411 104 HA THR 12 HA THR 12 -14.777 -0.142 5.596 105 HB THR 12 HB THR 12 -12.466 -1.627 4.306 106 HG1 THR 12 HG1 THR 12 -13.996 -1.517 2.776 107 1HG2 THR 12 HG21 THR 12 -12.906 -2.462 6.521 108 2HG2 THR 12 HG22 THR 12 -13.631 -3.594 5.379 109 3HG2 THR 12 HG23 THR 12 -14.648 -2.439 6.240 110 H LEU 13 HN LEU 13 -11.490 0.901 4.787 111 HA LEU 13 HA LEU 13 -10.922 1.137 7.728 112 1HB LEU 13 HB2 LEU 13 -9.251 0.141 5.416 113 2HB LEU 13 HB1 LEU 13 -8.510 0.674 6.926 114 HG LEU 13 HG LEU 13 -10.686 -1.427 6.769 115 1HD1 LEU 13 HD11 LEU 13 -8.866 -3.048 7.184 116 2HD1 LEU 13 HD12 LEU 13 -7.682 -1.747 7.059 117 3HD1 LEU 13 HD13 LEU 13 -8.636 -2.212 5.649 118 1HD2 LEU 13 HD21 LEU 13 -10.669 -0.456 8.938 119 2HD2 LEU 13 HD22 LEU 13 -8.909 -0.331 8.956 120 3HD2 LEU 13 HD23 LEU 13 -9.683 -1.910 9.097 121 H LYS 14 HN LYS 14 -9.025 2.731 8.067 122 HA LYS 14 HA LYS 14 -8.769 4.853 6.024 123 1HB LYS 14 HB2 LYS 14 -10.577 4.914 8.340 124 2HB LYS 14 HB1 LYS 14 -9.485 6.297 8.291 125 1HG LYS 14 HG2 LYS 14 -11.027 5.413 5.850 126 2HG LYS 14 HG1 LYS 14 -11.717 6.530 7.028 127 1HD LYS 14 HD2 LYS 14 -9.659 7.969 6.736 128 2HD LYS 14 HD1 LYS 14 -9.194 6.918 5.397 129 1HE LYS 14 HE2 LYS 14 -10.405 8.434 4.159 130 2HE LYS 14 HE1 LYS 14 -11.788 7.476 4.725 131 1HZ LYS 14 HZ1 LYS 14 -11.979 9.889 5.229 132 2HZ LYS 14 HZ2 LYS 14 -10.616 9.751 6.233 133 3HZ LYS 14 HZ3 LYS 14 -12.038 8.900 6.606 134 H GLY 15 HN GLY 15 -6.716 5.698 6.178 135 1HA GLY 15 HA2 GLY 15 -5.131 6.716 7.965 136 2HA GLY 15 HA1 GLY 15 -5.149 5.087 8.640 137 H GLU 16 HN GLU 16 -3.034 4.469 8.239 138 HA GLU 16 HA GLU 16 -2.303 4.048 5.386 139 1HB GLU 16 HB2 GLU 16 -0.081 5.104 5.825 140 2HB GLU 16 HB1 GLU 16 -1.411 6.249 5.995 141 1HG GLU 16 HG2 GLU 16 -1.087 6.495 8.241 142 2HG GLU 16 HG1 GLU 16 -0.688 4.793 8.471 143 H THR 17 HN THR 17 -0.033 2.838 5.413 144 HA THR 17 HA THR 17 0.328 1.096 7.785 145 HB THR 17 HB THR 17 -0.293 -0.014 5.032 146 HG1 THR 17 HG1 THR 17 -1.970 0.168 7.309 147 1HG2 THR 17 HG21 THR 17 -0.352 -1.370 7.736 148 2HG2 THR 17 HG22 THR 17 1.066 -1.379 6.687 149 3HG2 THR 17 HG23 THR 17 -0.435 -2.132 6.147 150 H THR 18 HN THR 18 2.502 0.754 8.024 151 HA THR 18 HA THR 18 4.273 1.155 5.635 152 HB THR 18 HB THR 18 5.954 1.765 7.430 153 HG1 THR 18 HG1 THR 18 5.396 1.349 9.391 154 1HG2 THR 18 HG21 THR 18 4.936 3.603 6.355 155 2HG2 THR 18 HG22 THR 18 4.677 3.920 8.070 156 3HG2 THR 18 HG23 THR 18 3.366 3.271 7.084 157 H THR 19 HN THR 19 6.136 -0.269 5.481 158 HA THR 19 HA THR 19 6.376 -2.572 7.291 159 HB THR 19 HB THR 19 4.456 -3.175 5.873 160 HG1 THR 19 HG1 THR 19 5.317 -5.065 5.972 161 1HG2 THR 19 HG21 THR 19 4.411 -2.978 3.581 162 2HG2 THR 19 HG22 THR 19 6.146 -3.248 3.418 163 3HG2 THR 19 HG23 THR 19 5.544 -1.674 3.933 164 H GLU 20 HN GLU 20 8.329 -3.778 6.869 165 HA GLU 20 HA GLU 20 10.394 -2.233 5.439 166 1HB GLU 20 HB2 GLU 20 10.453 -3.452 7.758 167 2HB GLU 20 HB1 GLU 20 10.752 -4.900 6.794 168 1HG GLU 20 HG2 GLU 20 12.652 -3.683 5.682 169 2HG GLU 20 HG1 GLU 20 12.409 -2.363 6.826 170 H ALA 21 HN ALA 21 10.537 -2.576 3.253 171 HA ALA 21 HA ALA 21 10.471 -5.407 2.265 172 1HB ALA 21 HB1 ALA 21 8.943 -4.816 0.614 173 2HB ALA 21 HB2 ALA 21 9.461 -3.131 0.598 174 3HB ALA 21 HB3 ALA 21 8.435 -3.725 1.903 175 H VAL 22 HN VAL 22 11.960 -5.836 0.575 176 HA VAL 22 HA VAL 22 14.346 -4.250 0.467 177 HB VAL 22 HB VAL 22 14.206 -6.684 0.047 178 1HG1 VAL 22 HG11 VAL 22 13.128 -6.183 -2.701 179 2HG1 VAL 22 HG12 VAL 22 11.991 -6.258 -1.357 180 3HG1 VAL 22 HG13 VAL 22 13.030 -7.637 -1.708 181 1HG2 VAL 22 HG21 VAL 22 15.690 -6.757 -1.907 182 2HG2 VAL 22 HG22 VAL 22 16.093 -5.373 -0.892 183 3HG2 VAL 22 HG23 VAL 22 15.174 -5.137 -2.378 184 H ASP 23 HN ASP 23 11.462 -4.356 -1.585 185 HA ASP 23 HA ASP 23 11.995 -1.726 -2.681 186 1HB ASP 23 HB2 ASP 23 12.340 -2.539 -5.036 187 2HB ASP 23 HB1 ASP 23 13.661 -2.958 -3.950 188 H ALA 24 HN ALA 24 10.429 -1.500 -4.766 189 HA ALA 24 HA ALA 24 7.769 -1.723 -3.907 190 1HB ALA 24 HB1 ALA 24 8.505 -0.251 -5.695 191 2HB ALA 24 HB2 ALA 24 7.271 -1.332 -6.341 192 3HB ALA 24 HB3 ALA 24 8.974 -1.632 -6.686 193 H ALA 25 HN ALA 25 9.785 -4.134 -5.461 194 HA ALA 25 HA ALA 25 7.812 -5.876 -6.545 195 1HB ALA 25 HB1 ALA 25 10.462 -5.819 -6.544 196 2HB ALA 25 HB2 ALA 25 9.610 -7.350 -6.745 197 3HB ALA 25 HB3 ALA 25 10.274 -6.911 -5.172 198 H THR 26 HN THR 26 9.259 -5.818 -3.272 199 HA THR 26 HA THR 26 7.391 -7.915 -2.334 200 HB THR 26 HB THR 26 9.506 -6.291 -0.881 201 HG1 THR 26 HG1 THR 26 10.609 -7.362 -2.390 202 1HG2 THR 26 HG21 THR 26 7.867 -7.469 0.563 203 2HG2 THR 26 HG22 THR 26 9.485 -8.156 0.706 204 3HG2 THR 26 HG23 THR 26 8.258 -8.981 -0.256 205 H ALA 27 HN ALA 27 7.803 -4.427 -2.186 206 HA ALA 27 HA ALA 27 6.196 -3.800 0.081 207 1HB ALA 27 HB1 ALA 27 6.439 -1.635 -0.704 208 2HB ALA 27 HB2 ALA 27 6.108 -2.096 -2.374 209 3HB ALA 27 HB3 ALA 27 7.691 -2.421 -1.667 210 H GLU 28 HN GLU 28 5.178 -3.612 -3.357 211 HA GLU 28 HA GLU 28 2.375 -3.385 -2.841 212 1HB GLU 28 HB2 GLU 28 3.757 -2.974 -4.977 213 2HB GLU 28 HB1 GLU 28 3.647 -4.715 -5.245 214 1HG GLU 28 HG2 GLU 28 1.285 -4.650 -5.437 215 2HG GLU 28 HG1 GLU 28 1.191 -3.038 -4.726 216 H LYS 29 HN LYS 29 4.457 -6.232 -3.295 217 HA LYS 29 HA LYS 29 2.451 -8.244 -3.486 218 1HB LYS 29 HB2 LYS 29 4.975 -8.385 -3.805 219 2HB LYS 29 HB1 LYS 29 5.112 -8.445 -2.048 220 1HG LYS 29 HG2 LYS 29 3.795 -10.478 -1.954 221 2HG LYS 29 HG1 LYS 29 3.443 -10.377 -3.680 222 1HD LYS 29 HD2 LYS 29 5.239 -11.764 -3.891 223 2HD LYS 29 HD1 LYS 29 6.176 -10.281 -3.707 224 1HE LYS 29 HE2 LYS 29 6.873 -10.837 -1.596 225 2HE LYS 29 HE1 LYS 29 5.314 -11.569 -1.170 226 1HZ LYS 29 HZ1 LYS 29 7.182 -13.189 -1.505 227 2HZ LYS 29 HZ2 LYS 29 7.178 -12.758 -3.148 228 3HZ LYS 29 HZ3 LYS 29 5.806 -13.479 -2.452 229 H VAL 30 HN VAL 30 3.887 -6.657 -0.656 230 HA VAL 30 HA VAL 30 2.391 -8.319 1.260 231 HB VAL 30 HB VAL 30 4.130 -5.837 1.514 232 1HG1 VAL 30 HG11 VAL 30 2.891 -7.677 3.566 233 2HG1 VAL 30 HG12 VAL 30 2.816 -5.915 3.492 234 3HG1 VAL 30 HG13 VAL 30 4.327 -6.717 3.925 235 1HG2 VAL 30 HG21 VAL 30 5.938 -7.274 1.898 236 2HG2 VAL 30 HG22 VAL 30 5.052 -8.134 0.640 237 3HG2 VAL 30 HG23 VAL 30 4.896 -8.631 2.324 238 H PHE 31 HN PHE 31 2.371 -4.911 0.166 239 HA PHE 31 HA PHE 31 0.147 -4.079 1.791 240 1HB PHE 31 HB2 PHE 31 1.572 -3.093 -0.668 241 2HB PHE 31 HB1 PHE 31 0.107 -2.276 -0.125 242 HD1 PHE 31 HD1 PHE 31 0.156 -2.229 2.708 243 HD2 PHE 31 HD2 PHE 31 3.484 -1.945 0.006 244 HE1 PHE 31 HE1 PHE 31 1.463 -1.034 4.443 245 HE2 PHE 31 HE2 PHE 31 4.790 -0.752 1.743 246 HZ PHE 31 HZ PHE 31 3.781 -0.296 3.961 247 H LYS 32 HN LYS 32 0.367 -5.523 -1.445 248 HA LYS 32 HA LYS 32 -2.372 -5.083 -2.219 249 1HB LYS 32 HB2 LYS 32 -0.497 -5.703 -3.740 250 2HB LYS 32 HB1 LYS 32 -0.423 -7.292 -2.978 251 1HG LYS 32 HG2 LYS 32 -3.099 -6.449 -3.952 252 2HG LYS 32 HG1 LYS 32 -1.895 -6.779 -5.198 253 1HD LYS 32 HD2 LYS 32 -1.463 -8.911 -3.603 254 2HD LYS 32 HD1 LYS 32 -3.172 -8.638 -3.259 255 1HE LYS 32 HE2 LYS 32 -3.829 -9.136 -5.428 256 2HE LYS 32 HE1 LYS 32 -2.288 -8.597 -6.126 257 1HZ LYS 32 HZ1 LYS 32 -1.199 -10.479 -5.030 258 2HZ LYS 32 HZ2 LYS 32 -2.391 -11.003 -6.123 259 3HZ LYS 32 HZ3 LYS 32 -2.699 -11.019 -4.452 260 H GLN 33 HN GLN 33 -0.699 -7.839 -0.676 261 HA GLN 33 HA GLN 33 -2.970 -9.547 -0.376 262 1HB GLN 33 HB2 GLN 33 -0.511 -10.092 -0.096 263 2HB GLN 33 HB1 GLN 33 -0.576 -9.265 1.461 264 1HG GLN 33 HG2 GLN 33 -0.905 -11.595 1.921 265 2HG GLN 33 HG1 GLN 33 -2.487 -10.830 2.076 266 1HE2 GLN 33 HE21 GLN 33 -3.824 -12.572 1.395 267 2HE2 GLN 33 HE22 GLN 33 -3.727 -13.276 -0.147 268 H TYR 34 HN TYR 34 -1.787 -6.839 1.459 269 HA TYR 34 HA TYR 34 -3.438 -7.181 3.813 270 1HB TYR 34 HB2 TYR 34 -1.543 -5.814 4.078 271 2HB TYR 34 HB1 TYR 34 -1.765 -5.032 2.518 272 HD1 TYR 34 HD1 TYR 34 -3.094 -3.050 2.300 273 HD2 TYR 34 HD2 TYR 34 -2.989 -5.197 6.013 274 HE1 TYR 34 HE1 TYR 34 -4.241 -1.158 3.417 275 HE2 TYR 34 HE2 TYR 34 -4.139 -3.305 7.141 276 HH TYR 34 HH TYR 34 -5.770 -0.954 5.571 277 H ALA 35 HN ALA 35 -3.693 -4.950 1.013 278 HA ALA 35 HA ALA 35 -6.321 -3.982 1.620 279 1HB ALA 35 HB1 ALA 35 -4.444 -4.056 -0.702 280 2HB ALA 35 HB2 ALA 35 -5.214 -2.667 0.073 281 3HB ALA 35 HB3 ALA 35 -6.130 -3.671 -1.051 282 H ASN 36 HN ASN 36 -5.186 -6.717 -0.355 283 HA ASN 36 HA ASN 36 -7.640 -7.485 -1.531 284 1HB ASN 36 HB2 ASN 36 -5.338 -8.321 -2.064 285 2HB ASN 36 HB1 ASN 36 -5.368 -9.245 -0.561 286 1HD2 ASN 36 HD21 ASN 36 -5.228 -10.385 -3.287 287 2HD2 ASN 36 HD22 ASN 36 -6.617 -11.341 -3.480 288 H ASP 37 HN ASP 37 -6.305 -8.144 1.677 289 HA ASP 37 HA ASP 37 -8.365 -10.078 2.425 290 1HB ASP 37 HB2 ASP 37 -6.007 -9.949 3.307 291 2HB ASP 37 HB1 ASP 37 -6.452 -8.456 4.135 292 H ASN 38 HN ASN 38 -7.675 -6.667 3.272 293 HA ASN 38 HA ASN 38 -10.041 -6.317 4.901 294 1HB ASN 38 HB2 ASN 38 -8.169 -4.414 3.455 295 2HB ASN 38 HB1 ASN 38 -9.402 -3.888 4.601 296 1HD2 ASN 38 HD21 ASN 38 -6.178 -5.055 4.342 297 2HD2 ASN 38 HD22 ASN 38 -5.908 -5.339 5.994 298 H GLY 39 HN GLY 39 -9.266 -5.566 1.501 299 1HA GLY 39 HA2 GLY 39 -11.086 -5.900 -0.171 300 2HA GLY 39 HA1 GLY 39 -12.196 -5.207 1.012 301 H ILE 40 HN ILE 40 -9.101 -4.289 -0.558 302 HA ILE 40 HA ILE 40 -10.288 -1.572 -1.018 303 HB ILE 40 HB ILE 40 -7.479 -2.355 -0.165 304 1HG1 ILE 40 HG12 ILE 40 -9.640 -0.762 1.253 305 2HG1 ILE 40 HG11 ILE 40 -9.256 -2.450 1.591 306 1HG2 ILE 40 HG21 ILE 40 -7.074 -0.443 -1.451 307 2HG2 ILE 40 HG22 ILE 40 -7.440 0.282 0.117 308 3HG2 ILE 40 HG23 ILE 40 -8.679 0.223 -1.134 309 1HD1 ILE 40 HD11 ILE 40 -7.177 -1.930 2.524 310 2HD1 ILE 40 HD12 ILE 40 -8.163 -0.565 3.052 311 3HD1 ILE 40 HD13 ILE 40 -7.073 -0.386 1.677 312 H ASP 41 HN ASP 41 -10.819 -2.458 -3.186 313 HA ASP 41 HA ASP 41 -8.487 -2.945 -4.982 314 1HB ASP 41 HB2 ASP 41 -10.741 -4.314 -4.748 315 2HB ASP 41 HB1 ASP 41 -11.385 -3.038 -5.782 316 H GLY 42 HN GLY 42 -8.954 -0.299 -3.901 317 1HA GLY 42 HA2 GLY 42 -10.404 1.401 -5.681 318 2HA GLY 42 HA1 GLY 42 -9.130 1.922 -4.576 319 H GLU 43 HN GLU 43 -7.959 3.222 -5.931 320 HA GLU 43 HA GLU 43 -6.870 2.006 -8.403 321 1HB GLU 43 HB2 GLU 43 -7.400 4.878 -7.594 322 2HB GLU 43 HB1 GLU 43 -6.601 4.415 -9.098 323 1HG GLU 43 HG2 GLU 43 -8.750 2.859 -9.340 324 2HG GLU 43 HG1 GLU 43 -9.461 4.086 -8.291 325 H TRP 44 HN TRP 44 -4.858 1.254 -7.908 326 HA TRP 44 HA TRP 44 -3.304 2.339 -5.742 327 1HB TRP 44 HB2 TRP 44 -2.961 0.218 -7.836 328 2HB TRP 44 HB1 TRP 44 -1.628 0.646 -6.755 329 HD1 TRP 44 HD1 TRP 44 -5.368 -0.297 -6.497 330 HE1 TRP 44 HE1 TRP 44 -5.712 -1.604 -4.299 331 HE3 TRP 44 HE3 TRP 44 -0.629 -0.105 -4.603 332 HZ2 TRP 44 HZ2 TRP 44 -4.184 -2.429 -2.037 333 HZ3 TRP 44 HZ3 TRP 44 -0.101 -1.163 -2.425 334 HH2 TRP 44 HH2 TRP 44 -1.872 -2.331 -1.141 335 H THR 45 HN THR 45 -1.493 3.548 -5.794 336 HA THR 45 HA THR 45 -0.217 4.355 -8.325 337 HB THR 45 HB THR 45 -0.557 6.804 -7.537 338 HG1 THR 45 HG1 THR 45 -2.297 7.125 -6.208 339 1HG2 THR 45 HG21 THR 45 -1.671 5.664 -9.505 340 2HG2 THR 45 HG22 THR 45 -2.590 6.994 -8.801 341 3HG2 THR 45 HG23 THR 45 -3.036 5.326 -8.442 342 H TYR 46 HN TYR 46 1.945 4.574 -7.892 343 HA TYR 46 HA TYR 46 2.775 4.579 -5.025 344 1HB TYR 46 HB2 TYR 46 3.548 2.663 -6.181 345 2HB TYR 46 HB1 TYR 46 3.889 3.570 -7.647 346 HD1 TYR 46 HD1 TYR 46 5.165 2.533 -4.366 347 HD2 TYR 46 HD2 TYR 46 5.907 4.987 -7.811 348 HE1 TYR 46 HE1 TYR 46 7.525 2.763 -3.691 349 HE2 TYR 46 HE2 TYR 46 8.278 5.224 -7.130 350 HH TYR 46 HH TYR 46 9.905 3.563 -5.551 351 H ASP 47 HN ASP 47 4.234 6.141 -4.279 352 HA ASP 47 HA ASP 47 4.795 8.439 -6.121 353 1HB ASP 47 HB2 ASP 47 4.282 8.139 -3.157 354 2HB ASP 47 HB1 ASP 47 5.007 9.607 -3.814 355 H ASP 48 HN ASP 48 6.883 8.171 -6.857 356 HA ASP 48 HA ASP 48 8.968 6.768 -5.447 357 1HB ASP 48 HB2 ASP 48 8.753 7.184 -7.925 358 2HB ASP 48 HB1 ASP 48 9.191 8.866 -7.628 359 H ALA 49 HN ALA 49 7.832 10.078 -5.317 360 HA ALA 49 HA ALA 49 10.091 11.489 -4.442 361 1HB ALA 49 HB1 ALA 49 8.537 13.114 -3.962 362 2HB ALA 49 HB2 ALA 49 7.497 11.997 -3.078 363 3HB ALA 49 HB3 ALA 49 7.473 12.016 -4.842 364 H THR 50 HN THR 50 7.909 9.397 -2.571 365 HA THR 50 HA THR 50 9.955 9.252 -0.415 366 HB THR 50 HB THR 50 8.175 9.766 1.258 367 HG1 THR 50 HG1 THR 50 6.191 9.946 0.621 368 1HG2 THR 50 HG21 THR 50 9.694 11.527 0.224 369 2HG2 THR 50 HG22 THR 50 8.190 12.134 0.918 370 3HG2 THR 50 HG23 THR 50 8.344 11.947 -0.830 371 H LYS 51 HN LYS 51 8.448 7.465 -2.526 372 HA LYS 51 HA LYS 51 7.608 5.259 -2.618 373 1HB LYS 51 HB2 LYS 51 9.653 5.528 -0.549 374 2HB LYS 51 HB1 LYS 51 8.554 4.194 -0.200 375 1HG LYS 51 HG2 LYS 51 9.966 3.055 -1.595 376 2HG LYS 51 HG1 LYS 51 8.942 3.773 -2.838 377 1HD LYS 51 HD2 LYS 51 11.180 4.259 -3.505 378 2HD LYS 51 HD1 LYS 51 10.556 5.759 -2.819 379 1HE LYS 51 HE2 LYS 51 11.660 4.277 -0.646 380 2HE LYS 51 HE1 LYS 51 12.847 4.234 -1.964 381 1HZ LYS 51 HZ1 LYS 51 13.105 6.261 -0.686 382 2HZ LYS 51 HZ2 LYS 51 11.471 6.659 -0.929 383 3HZ LYS 51 HZ3 LYS 51 12.545 6.631 -2.244 384 H THR 52 HN THR 52 5.343 5.645 -2.373 385 HA THR 52 HA THR 52 4.210 4.714 0.183 386 HB THR 52 HB THR 52 3.682 7.499 -0.902 387 HG1 THR 52 HG1 THR 52 5.068 6.601 1.402 388 1HG2 THR 52 HG21 THR 52 2.784 6.285 1.718 389 2HG2 THR 52 HG22 THR 52 1.777 6.287 0.270 390 3HG2 THR 52 HG23 THR 52 2.270 7.813 1.005 391 H PHE 53 HN PHE 53 3.063 3.083 -0.925 392 HA PHE 53 HA PHE 53 1.677 3.392 -3.418 393 1HB PHE 53 HB2 PHE 53 1.306 1.554 -1.028 394 2HB PHE 53 HB1 PHE 53 0.461 1.330 -2.559 395 HD1 PHE 53 HD1 PHE 53 1.657 0.652 -4.581 396 HD2 PHE 53 HD2 PHE 53 3.722 1.200 -0.854 397 HE1 PHE 53 HE1 PHE 53 3.635 -0.529 -5.502 398 HE2 PHE 53 HE2 PHE 53 5.699 0.018 -1.775 399 HZ PHE 53 HZ PHE 53 5.655 -0.846 -4.099 400 H THR 54 HN THR 54 -0.437 4.147 -3.844 401 HA THR 54 HA THR 54 -2.026 5.046 -1.450 402 HB THR 54 HB THR 54 -1.566 6.504 -4.068 403 HG1 THR 54 HG1 THR 54 -0.001 7.510 -3.070 404 1HG2 THR 54 HG21 THR 54 -3.704 6.781 -2.421 405 2HG2 THR 54 HG22 THR 54 -3.013 8.114 -3.346 406 3HG2 THR 54 HG23 THR 54 -2.572 7.893 -1.653 407 H VAL 55 HN VAL 55 -3.699 3.456 -1.586 408 HA VAL 55 HA VAL 55 -5.138 3.233 -4.157 409 HB VAL 55 HB VAL 55 -4.383 1.137 -2.987 410 1HG1 VAL 55 HG11 VAL 55 -4.801 2.096 -0.662 411 2HG1 VAL 55 HG12 VAL 55 -5.373 0.444 -0.930 412 3HG1 VAL 55 HG13 VAL 55 -6.514 1.799 -0.967 413 1HG2 VAL 55 HG21 VAL 55 -6.445 -0.054 -3.307 414 2HG2 VAL 55 HG22 VAL 55 -6.396 1.245 -4.498 415 3HG2 VAL 55 HG23 VAL 55 -7.389 1.411 -3.050 416 H THR 56 HN THR 56 -7.581 3.188 -3.922 417 HA THR 56 HA THR 56 -8.758 4.579 -1.622 418 HB THR 56 HB THR 56 -8.480 5.830 -4.370 419 HG1 THR 56 HG1 THR 56 -7.083 7.170 -3.413 420 1HG2 THR 56 HG21 THR 56 -10.453 6.819 -3.802 421 2HG2 THR 56 HG22 THR 56 -9.452 7.790 -2.722 422 3HG2 THR 56 HG23 THR 56 -10.296 6.370 -2.103 423 H GLU 57 HN GLU 57 -10.550 3.271 -1.424 424 HA GLU 57 HA GLU 57 -11.865 2.071 -3.766 425 1HB GLU 57 HB2 GLU 57 -11.433 1.235 -1.263 426 2HB GLU 57 HB1 GLU 57 -12.993 2.014 -0.995 427 1HG GLU 57 HG2 GLU 57 -13.884 0.695 -2.962 428 2HG GLU 57 HG1 GLU 57 -12.366 -0.202 -2.962 Start of MODEL 3 1 1H MET 1 HT1 MET 1 16.338 -2.073 4.675 2 2H MET 1 HT2 MET 1 17.082 -1.731 3.187 3 3H MET 1 HT3 MET 1 17.137 -3.305 3.825 4 HA MET 1 HA MET 1 15.500 -3.292 2.094 5 1HB MET 1 HB2 MET 1 14.931 -3.603 4.969 6 2HB MET 1 HB1 MET 1 13.483 -3.432 3.978 7 1HG MET 1 HG2 MET 1 13.862 -5.745 3.913 8 2HG MET 1 HG1 MET 1 14.638 -5.192 2.429 9 1HE MET 1 HE1 MET 1 14.919 -7.793 3.806 10 2HE MET 1 HE2 MET 1 16.588 -8.191 4.204 11 3HE MET 1 HE3 MET 1 16.179 -7.676 2.570 12 H THR 2 HN THR 2 13.634 -2.298 1.143 13 HA THR 2 HA THR 2 13.423 0.605 1.624 14 HB THR 2 HB THR 2 12.067 -1.253 -0.356 15 HG1 THR 2 HG1 THR 2 14.174 -1.372 -0.810 16 1HG2 THR 2 HG21 THR 2 12.390 1.753 -0.227 17 2HG2 THR 2 HG22 THR 2 10.881 0.838 -0.221 18 3HG2 THR 2 HG23 THR 2 11.875 0.890 -1.678 19 H THR 3 HN THR 3 12.043 1.223 3.250 20 HA THR 3 HA THR 3 9.763 -0.409 4.038 21 HB THR 3 HB THR 3 10.499 2.359 4.986 22 HG1 THR 3 HG1 THR 3 12.212 1.573 5.901 23 1HG2 THR 3 HG21 THR 3 8.413 0.839 5.696 24 2HG2 THR 3 HG22 THR 3 9.267 1.851 6.861 25 3HG2 THR 3 HG23 THR 3 9.627 0.128 6.760 26 H PHE 4 HN PHE 4 8.246 -0.291 2.297 27 HA PHE 4 HA PHE 4 7.451 2.281 1.134 28 1HB PHE 4 HB2 PHE 4 6.390 -0.557 0.992 29 2HB PHE 4 HB1 PHE 4 5.743 0.770 0.031 30 HD1 PHE 4 HD1 PHE 4 7.117 1.844 -1.720 31 HD2 PHE 4 HD2 PHE 4 8.556 -1.520 0.529 32 HE1 PHE 4 HE1 PHE 4 8.911 1.490 -3.396 33 HE2 PHE 4 HE2 PHE 4 10.349 -1.873 -1.145 34 HZ PHE 4 HZ PHE 4 10.526 -0.369 -3.108 35 H LYS 5 HN LYS 5 4.951 2.738 1.141 36 HA LYS 5 HA LYS 5 3.711 2.100 3.784 37 1HB LYS 5 HB2 LYS 5 4.698 4.697 2.727 38 2HB LYS 5 HB1 LYS 5 3.131 4.738 3.535 39 1HG LYS 5 HG2 LYS 5 4.011 4.092 5.581 40 2HG LYS 5 HG1 LYS 5 5.375 3.249 4.845 41 1HD LYS 5 HD2 LYS 5 5.032 6.260 4.810 42 2HD LYS 5 HD1 LYS 5 6.017 5.394 5.990 43 1HE LYS 5 HE2 LYS 5 7.144 4.323 3.865 44 2HE LYS 5 HE1 LYS 5 6.486 5.750 3.039 45 1HZ LYS 5 HZ1 LYS 5 8.663 6.242 3.962 46 2HZ LYS 5 HZ2 LYS 5 8.142 5.773 5.509 47 3HZ LYS 5 HZ3 LYS 5 7.471 7.144 4.763 48 H LEU 6 HN LEU 6 1.645 1.420 3.382 49 HA LEU 6 HA LEU 6 0.319 2.231 0.835 50 1HB LEU 6 HB2 LEU 6 0.535 -0.161 1.285 51 2HB LEU 6 HB1 LEU 6 -0.191 0.040 2.878 52 HG LEU 6 HG LEU 6 -2.280 0.886 1.730 53 1HD1 LEU 6 HD11 LEU 6 -0.672 0.051 -0.687 54 2HD1 LEU 6 HD12 LEU 6 -1.486 1.588 -0.397 55 3HD1 LEU 6 HD13 LEU 6 -2.434 0.138 -0.724 56 1HD2 LEU 6 HD21 LEU 6 -2.680 -1.532 0.642 57 2HD2 LEU 6 HD22 LEU 6 -2.602 -1.300 2.389 58 3HD2 LEU 6 HD23 LEU 6 -1.186 -1.882 1.510 59 H ILE 7 HN ILE 7 -1.320 3.724 0.925 60 HA ILE 7 HA ILE 7 -2.221 4.783 3.496 61 HB ILE 7 HB ILE 7 -1.818 5.879 1.106 62 1HG1 ILE 7 HG12 ILE 7 -4.263 6.888 2.489 63 2HG1 ILE 7 HG11 ILE 7 -2.751 6.804 3.393 64 1HG2 ILE 7 HG21 ILE 7 -3.760 6.156 -0.253 65 2HG2 ILE 7 HG22 ILE 7 -4.796 5.388 0.947 66 3HG2 ILE 7 HG23 ILE 7 -3.625 4.425 0.050 67 1HD1 ILE 7 HD11 ILE 7 -1.651 8.048 1.480 68 2HD1 ILE 7 HD12 ILE 7 -2.837 8.987 2.388 69 3HD1 ILE 7 HD13 ILE 7 -3.266 8.307 0.818 70 H ILE 8 HN ILE 8 -4.778 5.001 3.728 71 HA ILE 8 HA ILE 8 -6.053 2.420 2.893 72 HB ILE 8 HB ILE 8 -6.089 3.749 5.624 73 1HG1 ILE 8 HG12 ILE 8 -4.873 1.108 4.763 74 2HG1 ILE 8 HG11 ILE 8 -3.949 2.595 4.975 75 1HG2 ILE 8 HG21 ILE 8 -8.160 2.389 4.741 76 2HG2 ILE 8 HG22 ILE 8 -7.536 2.068 6.357 77 3HG2 ILE 8 HG23 ILE 8 -7.122 0.992 5.023 78 1HD1 ILE 8 HD11 ILE 8 -5.173 0.819 7.021 79 2HD1 ILE 8 HD12 ILE 8 -5.251 2.552 7.337 80 3HD1 ILE 8 HD13 ILE 8 -3.689 1.769 7.097 81 H ASN 9 HN ASN 9 -6.944 4.076 1.245 82 HA ASN 9 HA ASN 9 -9.057 5.840 2.381 83 1HB ASN 9 HB2 ASN 9 -7.335 5.749 0.033 84 2HB ASN 9 HB1 ASN 9 -9.020 5.953 -0.443 85 1HD2 ASN 9 HD21 ASN 9 -6.386 7.789 0.146 86 2HD2 ASN 9 HD22 ASN 9 -7.110 9.165 0.828 87 H GLY 10 HN GLY 10 -9.573 3.171 2.801 88 1HA GLY 10 HA2 GLY 10 -11.558 2.429 0.695 89 2HA GLY 10 HA1 GLY 10 -10.785 1.276 1.789 90 H LYS 11 HN LYS 11 -13.639 1.667 1.424 91 HA LYS 11 HA LYS 11 -14.734 3.161 3.657 92 1HB LYS 11 HB2 LYS 11 -15.741 1.000 1.793 93 2HB LYS 11 HB1 LYS 11 -16.766 1.733 3.026 94 1HG LYS 11 HG2 LYS 11 -15.228 3.503 1.151 95 2HG LYS 11 HG1 LYS 11 -16.726 2.752 0.601 96 1HD LYS 11 HD2 LYS 11 -17.967 3.752 2.431 97 2HD LYS 11 HD1 LYS 11 -16.482 4.384 3.143 98 1HE LYS 11 HE2 LYS 11 -16.155 5.612 0.875 99 2HE LYS 11 HE1 LYS 11 -17.879 5.277 0.619 100 1HZ LYS 11 HZ1 LYS 11 -17.467 7.395 1.809 101 2HZ LYS 11 HZ2 LYS 11 -16.762 6.513 3.079 102 3HZ LYS 11 HZ3 LYS 11 -18.405 6.300 2.702 103 H THR 12 HN THR 12 -13.024 0.193 3.511 104 HA THR 12 HA THR 12 -14.428 -1.051 5.792 105 HB THR 12 HB THR 12 -11.867 -1.893 4.416 106 HG1 THR 12 HG1 THR 12 -13.139 -1.843 2.719 107 1HG2 THR 12 HG21 THR 12 -12.170 -3.374 6.157 108 2HG2 THR 12 HG22 THR 12 -13.171 -4.160 4.936 109 3HG2 THR 12 HG23 THR 12 -13.920 -3.156 6.177 110 H LEU 13 HN LEU 13 -11.375 0.639 5.080 111 HA LEU 13 HA LEU 13 -10.941 0.938 8.022 112 1HB LEU 13 HB2 LEU 13 -9.369 -0.624 6.066 113 2HB LEU 13 HB1 LEU 13 -8.407 0.437 7.095 114 HG LEU 13 HG LEU 13 -10.533 -1.153 8.440 115 1HD1 LEU 13 HD11 LEU 13 -8.964 -3.112 8.584 116 2HD1 LEU 13 HD12 LEU 13 -7.973 -2.350 7.340 117 3HD1 LEU 13 HD13 LEU 13 -9.622 -2.853 6.969 118 1HD2 LEU 13 HD21 LEU 13 -9.000 0.419 9.626 119 2HD2 LEU 13 HD22 LEU 13 -7.629 -0.559 9.100 120 3HD2 LEU 13 HD23 LEU 13 -8.829 -1.241 10.199 121 H LYS 14 HN LYS 14 -9.174 2.584 8.446 122 HA LYS 14 HA LYS 14 -8.672 4.487 6.215 123 1HB LYS 14 HB2 LYS 14 -10.783 4.741 8.071 124 2HB LYS 14 HB1 LYS 14 -9.550 5.874 8.622 125 1HG LYS 14 HG2 LYS 14 -10.560 5.728 5.767 126 2HG LYS 14 HG1 LYS 14 -11.161 6.868 6.971 127 1HD LYS 14 HD2 LYS 14 -8.946 7.847 7.220 128 2HD LYS 14 HD1 LYS 14 -8.257 6.640 6.134 129 1HE LYS 14 HE2 LYS 14 -9.131 7.643 4.241 130 2HE LYS 14 HE1 LYS 14 -10.545 8.278 5.108 131 1HZ LYS 14 HZ1 LYS 14 -9.113 9.817 6.280 132 2HZ LYS 14 HZ2 LYS 14 -8.935 10.036 4.604 133 3HZ LYS 14 HZ3 LYS 14 -7.745 9.204 5.487 134 H GLY 15 HN GLY 15 -6.667 5.476 6.449 135 1HA GLY 15 HA2 GLY 15 -5.175 6.522 8.309 136 2HA GLY 15 HA1 GLY 15 -5.161 4.880 8.951 137 H GLU 16 HN GLU 16 -3.067 4.230 8.575 138 HA GLU 16 HA GLU 16 -2.211 4.007 5.731 139 1HB GLU 16 HB2 GLU 16 -0.964 5.609 7.936 140 2HB GLU 16 HB1 GLU 16 0.101 4.835 6.762 141 1HG GLU 16 HG2 GLU 16 -1.707 5.903 5.069 142 2HG GLU 16 HG1 GLU 16 -1.825 7.069 6.387 143 H THR 17 HN THR 17 -0.194 2.589 5.604 144 HA THR 17 HA THR 17 0.124 0.733 7.920 145 HB THR 17 HB THR 17 -0.463 -0.113 5.064 146 HG1 THR 17 HG1 THR 17 -2.430 0.313 5.629 147 1HG2 THR 17 HG21 THR 17 -0.719 -1.861 7.482 148 2HG2 THR 17 HG22 THR 17 0.886 -1.564 6.816 149 3HG2 THR 17 HG23 THR 17 -0.361 -2.306 5.814 150 H THR 18 HN THR 18 2.172 -0.333 7.919 151 HA THR 18 HA THR 18 4.093 0.498 5.769 152 HB THR 18 HB THR 18 5.733 0.703 7.721 153 HG1 THR 18 HG1 THR 18 4.700 0.994 9.748 154 1HG2 THR 18 HG21 THR 18 3.416 2.480 7.139 155 2HG2 THR 18 HG22 THR 18 5.144 2.795 6.980 156 3HG2 THR 18 HG23 THR 18 4.378 2.858 8.567 157 H THR 19 HN THR 19 5.914 -0.992 5.524 158 HA THR 19 HA THR 19 5.917 -3.541 6.983 159 HB THR 19 HB THR 19 4.059 -3.813 5.386 160 HG1 THR 19 HG1 THR 19 6.344 -5.203 4.458 161 1HG2 THR 19 HG21 THR 19 5.316 -2.124 3.750 162 2HG2 THR 19 HG22 THR 19 4.194 -3.334 3.129 163 3HG2 THR 19 HG23 THR 19 5.931 -3.628 3.064 164 H GLU 20 HN GLU 20 7.678 -5.001 6.059 165 HA GLU 20 HA GLU 20 9.975 -3.326 5.165 166 1HB GLU 20 HB2 GLU 20 9.507 -5.799 6.744 167 2HB GLU 20 HB1 GLU 20 10.989 -5.769 5.788 168 1HG GLU 20 HG2 GLU 20 11.746 -4.750 7.724 169 2HG GLU 20 HG1 GLU 20 11.202 -3.333 6.826 170 H ALA 21 HN ALA 21 10.577 -3.438 3.043 171 HA ALA 21 HA ALA 21 10.309 -5.997 1.556 172 1HB ALA 21 HB1 ALA 21 8.243 -5.105 0.951 173 2HB ALA 21 HB2 ALA 21 9.268 -4.409 -0.304 174 3HB ALA 21 HB3 ALA 21 8.809 -3.441 1.097 175 H VAL 22 HN VAL 22 11.981 -6.224 0.078 176 HA VAL 22 HA VAL 22 14.251 -4.498 0.131 177 HB VAL 22 HB VAL 22 14.257 -6.887 -0.504 178 1HG1 VAL 22 HG11 VAL 22 13.167 -6.179 -3.209 179 2HG1 VAL 22 HG12 VAL 22 12.042 -6.494 -1.888 180 3HG1 VAL 22 HG13 VAL 22 13.187 -7.739 -2.387 181 1HG2 VAL 22 HG21 VAL 22 15.143 -5.315 -2.925 182 2HG2 VAL 22 HG22 VAL 22 15.908 -6.726 -2.193 183 3HG2 VAL 22 HG23 VAL 22 15.978 -5.163 -1.378 184 H ASP 23 HN ASP 23 11.438 -4.595 -2.020 185 HA ASP 23 HA ASP 23 11.846 -1.846 -2.871 186 1HB ASP 23 HB2 ASP 23 12.312 -2.418 -5.254 187 2HB ASP 23 HB1 ASP 23 13.597 -2.957 -4.177 188 H ALA 24 HN ALA 24 10.331 -1.623 -5.052 189 HA ALA 24 HA ALA 24 7.663 -2.005 -4.238 190 1HB ALA 24 HB1 ALA 24 7.142 -1.140 -6.375 191 2HB ALA 24 HB2 ALA 24 8.544 -1.909 -7.119 192 3HB ALA 24 HB3 ALA 24 8.761 -0.517 -6.058 193 H ALA 25 HN ALA 25 9.837 -4.227 -5.841 194 HA ALA 25 HA ALA 25 7.999 -5.999 -7.097 195 1HB ALA 25 HB1 ALA 25 10.473 -6.930 -5.653 196 2HB ALA 25 HB2 ALA 25 10.619 -5.837 -7.030 197 3HB ALA 25 HB3 ALA 25 9.867 -7.419 -7.236 198 H THR 26 HN THR 26 8.957 -5.678 -3.713 199 HA THR 26 HA THR 26 7.188 -7.989 -2.997 200 HB THR 26 HB THR 26 9.382 -6.592 -1.431 201 HG1 THR 26 HG1 THR 26 10.709 -7.922 -2.365 202 1HG2 THR 26 HG21 THR 26 7.923 -7.670 0.106 203 2HG2 THR 26 HG22 THR 26 9.252 -8.804 -0.139 204 3HG2 THR 26 HG23 THR 26 7.710 -9.062 -0.956 205 H ALA 27 HN ALA 27 7.694 -4.541 -2.604 206 HA ALA 27 HA ALA 27 6.167 -4.008 -0.267 207 1HB ALA 27 HB1 ALA 27 6.091 -2.246 -2.705 208 2HB ALA 27 HB2 ALA 27 7.627 -2.532 -1.886 209 3HB ALA 27 HB3 ALA 27 6.287 -1.789 -1.013 210 H GLU 28 HN GLU 28 5.029 -3.654 -3.649 211 HA GLU 28 HA GLU 28 2.245 -3.425 -3.031 212 1HB GLU 28 HB2 GLU 28 3.688 -3.028 -5.203 213 2HB GLU 28 HB1 GLU 28 3.292 -4.713 -5.545 214 1HG GLU 28 HG2 GLU 28 0.867 -4.145 -5.224 215 2HG GLU 28 HG1 GLU 28 1.331 -2.450 -5.074 216 H LYS 29 HN LYS 29 4.264 -6.269 -3.769 217 HA LYS 29 HA LYS 29 2.231 -8.246 -3.925 218 1HB LYS 29 HB2 LYS 29 4.793 -8.300 -4.338 219 2HB LYS 29 HB1 LYS 29 4.914 -8.668 -2.618 220 1HG LYS 29 HG2 LYS 29 3.810 -10.715 -2.842 221 2HG LYS 29 HG1 LYS 29 3.020 -10.235 -4.345 222 1HD LYS 29 HD2 LYS 29 6.017 -10.428 -4.241 223 2HD LYS 29 HD1 LYS 29 5.054 -11.894 -4.436 224 1HE LYS 29 HE2 LYS 29 3.849 -10.266 -6.270 225 2HE LYS 29 HE1 LYS 29 5.527 -9.693 -6.360 226 1HZ LYS 29 HZ1 LYS 29 6.284 -11.950 -6.599 227 2HZ LYS 29 HZ2 LYS 29 5.122 -11.636 -7.797 228 3HZ LYS 29 HZ3 LYS 29 4.707 -12.549 -6.425 229 H VAL 30 HN VAL 30 3.865 -6.837 -1.110 230 HA VAL 30 HA VAL 30 2.496 -8.599 0.805 231 HB VAL 30 HB VAL 30 4.253 -6.132 1.056 232 1HG1 VAL 30 HG11 VAL 30 3.046 -6.266 3.104 233 2HG1 VAL 30 HG12 VAL 30 4.582 -7.074 3.424 234 3HG1 VAL 30 HG13 VAL 30 3.128 -8.029 3.126 235 1HG2 VAL 30 HG21 VAL 30 5.092 -8.406 0.055 236 2HG2 VAL 30 HG22 VAL 30 5.030 -8.958 1.729 237 3HG2 VAL 30 HG23 VAL 30 6.063 -7.599 1.287 238 H PHE 31 HN PHE 31 2.417 -5.110 -0.016 239 HA PHE 31 HA PHE 31 0.276 -4.425 1.766 240 1HB PHE 31 HB2 PHE 31 1.618 -3.259 -0.645 241 2HB PHE 31 HB1 PHE 31 0.102 -2.533 -0.114 242 HD1 PHE 31 HD1 PHE 31 0.151 -2.673 2.770 243 HD2 PHE 31 HD2 PHE 31 3.397 -1.924 0.058 244 HE1 PHE 31 HE1 PHE 31 1.360 -1.451 4.556 245 HE2 PHE 31 HE2 PHE 31 4.606 -0.704 1.847 246 HZ PHE 31 HZ PHE 31 3.589 -0.468 4.095 247 H LYS 32 HN LYS 32 0.314 -5.641 -1.569 248 HA LYS 32 HA LYS 32 -2.458 -5.182 -2.165 249 1HB LYS 32 HB2 LYS 32 -0.681 -5.732 -3.816 250 2HB LYS 32 HB1 LYS 32 -0.559 -7.352 -3.126 251 1HG LYS 32 HG2 LYS 32 -2.846 -7.855 -3.754 252 2HG LYS 32 HG1 LYS 32 -3.108 -6.195 -4.289 253 1HD LYS 32 HD2 LYS 32 -1.880 -6.476 -6.223 254 2HD LYS 32 HD1 LYS 32 -0.833 -7.701 -5.505 255 1HE LYS 32 HE2 LYS 32 -2.241 -9.416 -6.075 256 2HE LYS 32 HE1 LYS 32 -3.697 -8.459 -5.734 257 1HZ LYS 32 HZ1 LYS 32 -1.889 -8.032 -8.054 258 2HZ LYS 32 HZ2 LYS 32 -3.329 -7.189 -7.731 259 3HZ LYS 32 HZ3 LYS 32 -3.378 -8.840 -8.130 260 H GLN 33 HN GLN 33 -0.716 -7.972 -0.779 261 HA GLN 33 HA GLN 33 -2.938 -9.736 -0.489 262 1HB GLN 33 HB2 GLN 33 -0.254 -9.808 -0.069 263 2HB GLN 33 HB1 GLN 33 -0.841 -9.749 1.591 264 1HG GLN 33 HG2 GLN 33 -1.985 -11.679 -0.428 265 2HG GLN 33 HG1 GLN 33 -0.565 -12.082 0.538 266 1HE2 GLN 33 HE21 GLN 33 -3.649 -12.876 0.560 267 2HE2 GLN 33 HE22 GLN 33 -4.019 -12.813 2.215 268 H TYR 34 HN TYR 34 -1.693 -7.161 1.498 269 HA TYR 34 HA TYR 34 -3.310 -7.584 3.844 270 1HB TYR 34 HB2 TYR 34 -1.417 -6.206 4.094 271 2HB TYR 34 HB1 TYR 34 -1.717 -5.350 2.587 272 HD1 TYR 34 HD1 TYR 34 -3.118 -3.401 2.518 273 HD2 TYR 34 HD2 TYR 34 -2.764 -5.703 6.121 274 HE1 TYR 34 HE1 TYR 34 -4.248 -1.590 3.776 275 HE2 TYR 34 HE2 TYR 34 -3.896 -3.893 7.390 276 HH TYR 34 HH TYR 34 -4.124 -1.203 6.942 277 H ALA 35 HN ALA 35 -3.681 -5.306 1.102 278 HA ALA 35 HA ALA 35 -6.284 -4.347 1.829 279 1HB ALA 35 HB1 ALA 35 -5.400 -2.975 0.234 280 2HB ALA 35 HB2 ALA 35 -6.100 -4.116 -0.916 281 3HB ALA 35 HB3 ALA 35 -4.408 -4.269 -0.443 282 H ASN 36 HN ASN 36 -5.237 -7.004 -0.306 283 HA ASN 36 HA ASN 36 -7.734 -7.748 -1.384 284 1HB ASN 36 HB2 ASN 36 -5.070 -8.935 -0.920 285 2HB ASN 36 HB1 ASN 36 -6.369 -10.114 -1.106 286 1HD2 ASN 36 HD21 ASN 36 -8.026 -9.034 -3.004 287 2HD2 ASN 36 HD22 ASN 36 -7.190 -8.740 -4.452 288 H ASP 37 HN ASP 37 -6.211 -8.685 1.692 289 HA ASP 37 HA ASP 37 -8.181 -10.622 2.496 290 1HB ASP 37 HB2 ASP 37 -6.034 -8.963 3.769 291 2HB ASP 37 HB1 ASP 37 -7.175 -9.799 4.823 292 H ASN 38 HN ASN 38 -7.729 -7.231 3.580 293 HA ASN 38 HA ASN 38 -10.209 -7.056 5.017 294 1HB ASN 38 HB2 ASN 38 -8.109 -5.227 3.943 295 2HB ASN 38 HB1 ASN 38 -9.650 -4.495 4.390 296 1HD2 ASN 38 HD21 ASN 38 -6.658 -5.545 5.645 297 2HD2 ASN 38 HD22 ASN 38 -7.077 -5.552 7.289 298 H GLY 39 HN GLY 39 -9.309 -5.846 1.766 299 1HA GLY 39 HA2 GLY 39 -11.038 -6.388 -0.029 300 2HA GLY 39 HA1 GLY 39 -12.223 -5.742 1.106 301 H ILE 40 HN ILE 40 -9.026 -4.639 -0.102 302 HA ILE 40 HA ILE 40 -10.301 -1.977 -0.646 303 HB ILE 40 HB ILE 40 -7.487 -2.713 0.226 304 1HG1 ILE 40 HG12 ILE 40 -9.706 -1.203 1.644 305 2HG1 ILE 40 HG11 ILE 40 -9.259 -2.876 1.971 306 1HG2 ILE 40 HG21 ILE 40 -7.198 -0.775 -1.115 307 2HG2 ILE 40 HG22 ILE 40 -7.388 -0.128 0.517 308 3HG2 ILE 40 HG23 ILE 40 -8.748 -0.096 -0.603 309 1HD1 ILE 40 HD11 ILE 40 -7.108 -2.247 2.794 310 2HD1 ILE 40 HD12 ILE 40 -8.246 -1.116 3.528 311 3HD1 ILE 40 HD13 ILE 40 -7.264 -0.611 2.153 312 H ASP 41 HN ASP 41 -10.757 -3.106 -2.809 313 HA ASP 41 HA ASP 41 -8.376 -3.329 -4.584 314 1HB ASP 41 HB2 ASP 41 -10.059 -4.281 -6.152 315 2HB ASP 41 HB1 ASP 41 -10.102 -5.100 -4.592 316 H GLY 42 HN GLY 42 -8.935 -0.735 -3.625 317 1HA GLY 42 HA2 GLY 42 -10.603 0.811 -5.373 318 2HA GLY 42 HA1 GLY 42 -9.347 1.446 -4.309 319 H GLU 43 HN GLU 43 -8.244 2.784 -5.645 320 HA GLU 43 HA GLU 43 -7.186 1.674 -8.181 321 1HB GLU 43 HB2 GLU 43 -7.839 4.489 -7.273 322 2HB GLU 43 HB1 GLU 43 -7.019 4.130 -8.793 323 1HG GLU 43 HG2 GLU 43 -9.652 2.831 -8.096 324 2HG GLU 43 HG1 GLU 43 -9.589 4.418 -8.864 325 H TRP 44 HN TRP 44 -5.152 0.945 -7.683 326 HA TRP 44 HA TRP 44 -3.561 2.110 -5.588 327 1HB TRP 44 HB2 TRP 44 -3.201 -0.022 -7.673 328 2HB TRP 44 HB1 TRP 44 -1.874 0.443 -6.600 329 HD1 TRP 44 HD1 TRP 44 -5.581 -0.618 -6.331 330 HE1 TRP 44 HE1 TRP 44 -5.876 -1.928 -4.127 331 HE3 TRP 44 HE3 TRP 44 -0.852 -0.242 -4.439 332 HZ2 TRP 44 HZ2 TRP 44 -4.316 -2.687 -1.862 333 HZ3 TRP 44 HZ3 TRP 44 -0.285 -1.270 -2.257 334 HH2 TRP 44 HH2 TRP 44 -2.010 -2.498 -0.967 335 H THR 45 HN THR 45 -1.771 3.357 -5.719 336 HA THR 45 HA THR 45 -0.625 4.168 -8.314 337 HB THR 45 HB THR 45 -0.950 6.613 -7.483 338 HG1 THR 45 HG1 THR 45 -3.113 5.366 -6.145 339 1HG2 THR 45 HG21 THR 45 -3.488 5.199 -8.297 340 2HG2 THR 45 HG22 THR 45 -2.134 5.386 -9.411 341 3HG2 THR 45 HG23 THR 45 -2.940 6.811 -8.754 342 H TYR 46 HN TYR 46 1.549 4.410 -7.999 343 HA TYR 46 HA TYR 46 2.550 4.379 -5.193 344 1HB TYR 46 HB2 TYR 46 3.286 2.551 -6.552 345 2HB TYR 46 HB1 TYR 46 3.615 3.601 -7.924 346 HD1 TYR 46 HD1 TYR 46 4.852 2.415 -4.651 347 HD2 TYR 46 HD2 TYR 46 5.649 4.930 -8.040 348 HE1 TYR 46 HE1 TYR 46 7.212 2.620 -3.941 349 HE2 TYR 46 HE2 TYR 46 8.013 5.141 -7.327 350 HH TYR 46 HH TYR 46 9.638 3.726 -5.926 351 H ASP 47 HN ASP 47 3.397 6.245 -4.382 352 HA ASP 47 HA ASP 47 3.973 8.525 -6.198 353 1HB ASP 47 HB2 ASP 47 2.571 8.426 -3.961 354 2HB ASP 47 HB1 ASP 47 4.156 8.558 -3.198 355 H ASP 48 HN ASP 48 6.056 8.585 -6.950 356 HA ASP 48 HA ASP 48 8.282 7.226 -5.709 357 1HB ASP 48 HB2 ASP 48 7.886 7.895 -8.153 358 2HB ASP 48 HB1 ASP 48 8.384 9.519 -7.680 359 H ALA 49 HN ALA 49 6.803 10.290 -5.069 360 HA ALA 49 HA ALA 49 8.957 11.906 -4.266 361 1HB ALA 49 HB1 ALA 49 6.890 12.963 -4.307 362 2HB ALA 49 HB2 ALA 49 7.060 12.690 -2.573 363 3HB ALA 49 HB3 ALA 49 6.070 11.600 -3.544 364 H THR 50 HN THR 50 7.137 9.492 -2.356 365 HA THR 50 HA THR 50 9.472 9.244 -0.524 366 HB THR 50 HB THR 50 7.955 9.568 1.419 367 HG1 THR 50 HG1 THR 50 6.074 10.288 -0.576 368 1HG2 THR 50 HG21 THR 50 7.789 11.955 1.254 369 2HG2 THR 50 HG22 THR 50 7.697 11.887 -0.507 370 3HG2 THR 50 HG23 THR 50 9.206 11.484 0.314 371 H LYS 51 HN LYS 51 7.932 7.538 -2.567 372 HA LYS 51 HA LYS 51 7.184 5.304 -2.763 373 1HB LYS 51 HB2 LYS 51 9.290 5.537 -0.765 374 2HB LYS 51 HB1 LYS 51 8.234 4.174 -0.399 375 1HG LYS 51 HG2 LYS 51 9.616 3.100 -1.875 376 2HG LYS 51 HG1 LYS 51 8.513 3.807 -3.056 377 1HD LYS 51 HD2 LYS 51 10.784 4.302 -3.751 378 2HD LYS 51 HD1 LYS 51 10.040 5.799 -3.189 379 1HE LYS 51 HE2 LYS 51 11.909 5.991 -1.883 380 2HE LYS 51 HE1 LYS 51 11.133 4.768 -0.858 381 1HZ LYS 51 HZ1 LYS 51 13.372 4.097 -1.609 382 2HZ LYS 51 HZ2 LYS 51 12.832 4.158 -3.219 383 3HZ LYS 51 HZ3 LYS 51 12.161 3.033 -2.137 384 H THR 52 HN THR 52 4.904 5.747 -2.410 385 HA THR 52 HA THR 52 3.897 4.633 0.150 386 HB THR 52 HB THR 52 3.157 7.368 -0.936 387 HG1 THR 52 HG1 THR 52 4.395 8.153 0.656 388 1HG2 THR 52 HG21 THR 52 1.564 5.711 0.533 389 2HG2 THR 52 HG22 THR 52 1.496 7.471 0.622 390 3HG2 THR 52 HG23 THR 52 2.427 6.563 1.814 391 H PHE 53 HN PHE 53 2.819 2.922 -0.895 392 HA PHE 53 HA PHE 53 1.375 3.092 -3.371 393 1HB PHE 53 HB2 PHE 53 1.185 1.293 -0.933 394 2HB PHE 53 HB1 PHE 53 0.287 0.987 -2.420 395 HD1 PHE 53 HD1 PHE 53 1.453 0.401 -4.504 396 HD2 PHE 53 HD2 PHE 53 3.598 1.014 -0.835 397 HE1 PHE 53 HE1 PHE 53 3.450 -0.689 -5.490 398 HE2 PHE 53 HE2 PHE 53 5.595 -0.076 -1.818 399 HZ PHE 53 HZ PHE 53 5.522 -0.928 -4.148 400 H THR 54 HN THR 54 -0.591 4.090 -3.766 401 HA THR 54 HA THR 54 -2.267 4.785 -1.361 402 HB THR 54 HB THR 54 -1.893 6.254 -3.984 403 HG1 THR 54 HG1 THR 54 -0.653 7.650 -2.696 404 1HG2 THR 54 HG21 THR 54 -4.026 6.449 -2.316 405 2HG2 THR 54 HG22 THR 54 -3.399 7.805 -3.253 406 3HG2 THR 54 HG23 THR 54 -2.931 7.609 -1.564 407 H VAL 55 HN VAL 55 -3.901 3.172 -1.450 408 HA VAL 55 HA VAL 55 -5.362 2.829 -3.995 409 HB VAL 55 HB VAL 55 -4.552 0.792 -2.765 410 1HG1 VAL 55 HG11 VAL 55 -4.920 1.808 -0.467 411 2HG1 VAL 55 HG12 VAL 55 -5.499 0.150 -0.667 412 3HG1 VAL 55 HG13 VAL 55 -6.640 1.503 -0.717 413 1HG2 VAL 55 HG21 VAL 55 -7.562 0.985 -2.756 414 2HG2 VAL 55 HG22 VAL 55 -6.582 -0.458 -3.001 415 3HG2 VAL 55 HG23 VAL 55 -6.607 0.808 -4.229 416 H THR 56 HN THR 56 -7.824 2.711 -3.692 417 HA THR 56 HA THR 56 -8.956 4.206 -1.429 418 HB THR 56 HB THR 56 -8.845 5.274 -4.264 419 HG1 THR 56 HG1 THR 56 -7.541 6.834 -3.372 420 1HG2 THR 56 HG21 THR 56 -10.478 5.991 -1.881 421 2HG2 THR 56 HG22 THR 56 -10.858 6.158 -3.595 422 3HG2 THR 56 HG23 THR 56 -9.800 7.330 -2.808 423 H GLU 57 HN GLU 57 -10.642 2.769 -1.077 424 HA GLU 57 HA GLU 57 -12.100 1.583 -3.373 425 1HB GLU 57 HB2 GLU 57 -11.251 0.584 -1.023 426 2HB GLU 57 HB1 GLU 57 -12.854 1.123 -0.523 427 1HG GLU 57 HG2 GLU 57 -12.464 -0.513 -3.028 428 2HG GLU 57 HG1 GLU 57 -12.647 -1.281 -1.451 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -17.472 2.541 4.318 2 2H MET 1 HT2 MET 1 -16.391 1.481 5.089 3 3H MET 1 HT3 MET 1 -17.280 0.958 3.739 4 HA MET 1 HA MET 1 -16.105 2.698 2.391 5 1HB MET 1 HB2 MET 1 -14.795 2.890 5.105 6 2HB MET 1 HB1 MET 1 -13.946 3.412 3.648 7 1HG MET 1 HG2 MET 1 -15.752 4.974 3.116 8 2HG MET 1 HG1 MET 1 -16.677 4.412 4.510 9 1HE MET 1 HE1 MET 1 -16.038 7.415 6.401 10 2HE MET 1 HE2 MET 1 -16.540 5.783 6.834 11 3HE MET 1 HE3 MET 1 -17.089 6.493 5.317 12 H THR 2 HN THR 2 -13.923 2.102 1.443 13 HA THR 2 HA THR 2 -13.515 -0.828 1.640 14 HB THR 2 HB THR 2 -12.302 1.262 -0.196 15 HG1 THR 2 HG1 THR 2 -14.585 -0.390 -0.513 16 1HG2 THR 2 HG21 THR 2 -11.056 -0.819 -0.216 17 2HG2 THR 2 HG22 THR 2 -12.020 -0.729 -1.693 18 3HG2 THR 2 HG23 THR 2 -12.547 -1.752 -0.357 19 H THR 3 HN THR 3 -12.012 -1.517 3.109 20 HA THR 3 HA THR 3 -9.787 0.244 3.884 21 HB THR 3 HB THR 3 -10.623 -2.439 4.994 22 HG1 THR 3 HG1 THR 3 -11.497 0.178 5.642 23 1HG2 THR 3 HG21 THR 3 -9.229 -1.987 6.761 24 2HG2 THR 3 HG22 THR 3 -9.465 -0.244 6.637 25 3HG2 THR 3 HG23 THR 3 -8.376 -1.068 5.521 26 H PHE 4 HN PHE 4 -8.267 0.011 2.179 27 HA PHE 4 HA PHE 4 -7.553 -2.613 1.092 28 1HB PHE 4 HB2 PHE 4 -6.399 0.184 0.887 29 2HB PHE 4 HB1 PHE 4 -5.786 -1.184 -0.037 30 HD1 PHE 4 HD1 PHE 4 -7.249 -2.312 -1.717 31 HD2 PHE 4 HD2 PHE 4 -8.465 1.261 0.335 32 HE1 PHE 4 HE1 PHE 4 -9.023 -1.939 -3.412 33 HE2 PHE 4 HE2 PHE 4 -10.237 1.631 -1.358 34 HZ PHE 4 HZ PHE 4 -10.515 0.031 -3.232 35 H LYS 5 HN LYS 5 -5.035 -3.110 1.108 36 HA LYS 5 HA LYS 5 -3.803 -2.486 3.756 37 1HB LYS 5 HB2 LYS 5 -5.218 -4.557 3.881 38 2HB LYS 5 HB1 LYS 5 -4.201 -5.276 2.632 39 1HG LYS 5 HG2 LYS 5 -2.343 -5.418 4.033 40 2HG LYS 5 HG1 LYS 5 -2.917 -4.127 5.090 41 1HD LYS 5 HD2 LYS 5 -4.282 -5.530 6.295 42 2HD LYS 5 HD1 LYS 5 -4.610 -6.571 4.909 43 1HE LYS 5 HE2 LYS 5 -2.099 -7.253 5.107 44 2HE LYS 5 HE1 LYS 5 -2.221 -6.590 6.750 45 1HZ LYS 5 HZ1 LYS 5 -4.088 -8.580 5.570 46 2HZ LYS 5 HZ2 LYS 5 -4.147 -7.965 7.153 47 3HZ LYS 5 HZ3 LYS 5 -2.849 -8.949 6.668 48 H LEU 6 HN LEU 6 -1.751 -1.798 3.279 49 HA LEU 6 HA LEU 6 -0.423 -2.773 0.793 50 1HB LEU 6 HB2 LEU 6 -0.637 -0.356 1.153 51 2HB LEU 6 HB1 LEU 6 0.145 -0.499 2.726 52 HG LEU 6 HG LEU 6 2.172 -1.439 1.520 53 1HD1 LEU 6 HD11 LEU 6 2.231 -0.711 -0.952 54 2HD1 LEU 6 HD12 LEU 6 0.473 -0.620 -0.838 55 3HD1 LEU 6 HD13 LEU 6 1.297 -2.156 -0.563 56 1HD2 LEU 6 HD21 LEU 6 2.630 0.933 0.406 57 2HD2 LEU 6 HD22 LEU 6 2.521 0.763 2.159 58 3HD2 LEU 6 HD23 LEU 6 1.136 1.357 1.241 59 H ILE 7 HN ILE 7 1.272 -4.201 0.927 60 HA ILE 7 HA ILE 7 2.174 -5.160 3.551 61 HB ILE 7 HB ILE 7 1.739 -6.392 1.237 62 1HG1 ILE 7 HG12 ILE 7 3.598 -8.058 1.927 63 2HG1 ILE 7 HG11 ILE 7 3.894 -6.943 3.260 64 1HG2 ILE 7 HG21 ILE 7 4.695 -6.176 0.899 65 2HG2 ILE 7 HG22 ILE 7 3.704 -4.860 0.270 66 3HG2 ILE 7 HG23 ILE 7 3.447 -6.508 -0.300 67 1HD1 ILE 7 HD11 ILE 7 2.179 -8.903 3.583 68 2HD1 ILE 7 HD12 ILE 7 1.089 -7.851 2.678 69 3HD1 ILE 7 HD13 ILE 7 1.785 -7.299 4.202 70 H ILE 8 HN ILE 8 4.675 -5.253 3.922 71 HA ILE 8 HA ILE 8 5.943 -2.764 2.831 72 HB ILE 8 HB ILE 8 6.014 -3.851 5.664 73 1HG1 ILE 8 HG12 ILE 8 4.700 -1.334 4.593 74 2HG1 ILE 8 HG11 ILE 8 3.826 -2.832 4.919 75 1HG2 ILE 8 HG21 ILE 8 8.047 -2.562 4.735 76 2HG2 ILE 8 HG22 ILE 8 7.327 -1.960 6.228 77 3HG2 ILE 8 HG23 ILE 8 6.979 -1.160 4.695 78 1HD1 ILE 8 HD11 ILE 8 4.994 -2.640 7.280 79 2HD1 ILE 8 HD12 ILE 8 3.536 -1.709 6.936 80 3HD1 ILE 8 HD13 ILE 8 5.118 -0.934 6.849 81 H ASN 9 HN ASN 9 6.914 -4.497 1.322 82 HA ASN 9 HA ASN 9 9.054 -6.110 2.633 83 1HB ASN 9 HB2 ASN 9 7.818 -6.013 -0.130 84 2HB ASN 9 HB1 ASN 9 9.231 -6.999 0.234 85 1HD2 ASN 9 HD21 ASN 9 6.561 -8.026 -0.516 86 2HD2 ASN 9 HD22 ASN 9 6.019 -8.957 0.795 87 H GLY 10 HN GLY 10 9.480 -3.401 2.808 88 1HA GLY 10 HA2 GLY 10 11.375 -2.710 0.612 89 2HA GLY 10 HA1 GLY 10 10.673 -1.558 1.755 90 H LYS 11 HN LYS 11 13.411 -1.591 1.353 91 HA LYS 11 HA LYS 11 14.686 -3.167 3.491 92 1HB LYS 11 HB2 LYS 11 15.692 -2.645 1.241 93 2HB LYS 11 HB1 LYS 11 15.768 -0.950 1.724 94 1HG LYS 11 HG2 LYS 11 17.340 -1.384 3.435 95 2HG LYS 11 HG1 LYS 11 16.996 -3.114 3.429 96 1HD LYS 11 HD2 LYS 11 18.301 -3.511 1.575 97 2HD LYS 11 HD1 LYS 11 17.988 -1.919 0.884 98 1HE LYS 11 HE2 LYS 11 19.606 -2.177 3.420 99 2HE LYS 11 HE1 LYS 11 20.373 -2.373 1.831 100 1HZ LYS 11 HZ1 LYS 11 18.623 -0.085 2.555 101 2HZ LYS 11 HZ2 LYS 11 19.543 -0.264 1.138 102 3HZ LYS 11 HZ3 LYS 11 20.317 -0.032 2.633 103 H THR 12 HN THR 12 12.726 -0.522 3.656 104 HA THR 12 HA THR 12 14.388 0.853 5.734 105 HB THR 12 HB THR 12 12.005 1.826 4.123 106 HG1 THR 12 HG1 THR 12 13.817 1.482 2.821 107 1HG2 THR 12 HG21 THR 12 12.146 3.098 6.128 108 2HG2 THR 12 HG22 THR 12 12.957 4.073 4.903 109 3HG2 THR 12 HG23 THR 12 13.908 3.145 6.062 110 H LEU 13 HN LEU 13 11.252 -0.628 4.999 111 HA LEU 13 HA LEU 13 10.670 -0.669 7.936 112 1HB LEU 13 HB2 LEU 13 9.555 1.146 6.236 113 2HB LEU 13 HB1 LEU 13 8.392 -0.170 6.104 114 HG LEU 13 HG LEU 13 8.463 -0.226 8.693 115 1HD1 LEU 13 HD11 LEU 13 10.511 1.392 8.592 116 2HD1 LEU 13 HD12 LEU 13 9.283 1.659 9.830 117 3HD1 LEU 13 HD13 LEU 13 9.296 2.651 8.371 118 1HD2 LEU 13 HD21 LEU 13 6.572 0.624 7.267 119 2HD2 LEU 13 HD22 LEU 13 7.298 2.230 7.344 120 3HD2 LEU 13 HD23 LEU 13 6.712 1.456 8.816 121 H LYS 14 HN LYS 14 8.853 -2.264 8.404 122 HA LYS 14 HA LYS 14 8.363 -4.328 6.344 123 1HB LYS 14 HB2 LYS 14 10.385 -4.468 8.473 124 2HB LYS 14 HB1 LYS 14 9.289 -5.848 8.472 125 1HG LYS 14 HG2 LYS 14 10.292 -5.010 5.809 126 2HG LYS 14 HG1 LYS 14 11.499 -5.693 6.899 127 1HD LYS 14 HD2 LYS 14 9.373 -7.421 7.238 128 2HD LYS 14 HD1 LYS 14 9.252 -7.014 5.526 129 1HE LYS 14 HE2 LYS 14 11.577 -7.686 5.158 130 2HE LYS 14 HE1 LYS 14 11.783 -8.002 6.892 131 1HZ LYS 14 HZ1 LYS 14 9.863 -9.338 5.060 132 2HZ LYS 14 HZ2 LYS 14 9.886 -9.552 6.745 133 3HZ LYS 14 HZ3 LYS 14 11.210 -10.050 5.804 134 H GLY 15 HN GLY 15 6.434 -5.436 6.772 135 1HA GLY 15 HA2 GLY 15 5.071 -6.372 8.767 136 2HA GLY 15 HA1 GLY 15 5.037 -4.692 9.302 137 H GLU 16 HN GLU 16 2.941 -4.071 8.991 138 HA GLU 16 HA GLU 16 1.914 -4.017 6.212 139 1HB GLU 16 HB2 GLU 16 -0.187 -5.145 6.926 140 2HB GLU 16 HB1 GLU 16 1.215 -6.194 7.122 141 1HG GLU 16 HG2 GLU 16 0.408 -6.500 9.231 142 2HG GLU 16 HG1 GLU 16 1.159 -4.938 9.555 143 H THR 17 HN THR 17 -0.025 -2.613 6.048 144 HA THR 17 HA THR 17 -0.566 -0.866 8.401 145 HB THR 17 HB THR 17 0.258 0.150 5.661 146 HG1 THR 17 HG1 THR 17 1.735 0.114 8.080 147 1HG2 THR 17 HG21 THR 17 0.192 2.308 6.607 148 2HG2 THR 17 HG22 THR 17 0.188 1.681 8.255 149 3HG2 THR 17 HG23 THR 17 -1.253 1.528 7.250 150 H THR 18 HN THR 18 -2.616 0.207 8.237 151 HA THR 18 HA THR 18 -4.315 -0.585 5.894 152 HB THR 18 HB THR 18 -6.130 -0.781 7.726 153 HG1 THR 18 HG1 THR 18 -5.346 -1.082 9.786 154 1HG2 THR 18 HG21 THR 18 -5.662 -3.065 7.998 155 2HG2 THR 18 HG22 THR 18 -3.919 -2.796 8.054 156 3HG2 THR 18 HG23 THR 18 -4.784 -2.655 6.524 157 H THR 19 HN THR 19 -6.105 0.901 5.491 158 HA THR 19 HA THR 19 -6.087 3.489 6.948 159 HB THR 19 HB THR 19 -4.375 3.672 5.187 160 HG1 THR 19 HG1 THR 19 -5.460 5.542 5.477 161 1HG2 THR 19 HG21 THR 19 -5.887 1.927 3.759 162 2HG2 THR 19 HG22 THR 19 -4.657 2.961 3.034 163 3HG2 THR 19 HG23 THR 19 -6.352 3.443 2.989 164 H GLU 20 HN GLU 20 -7.767 4.961 5.446 165 HA GLU 20 HA GLU 20 -10.174 3.219 5.004 166 1HB GLU 20 HB2 GLU 20 -9.819 5.919 6.331 167 2HB GLU 20 HB1 GLU 20 -11.401 5.280 5.883 168 1HG GLU 20 HG2 GLU 20 -9.492 3.637 7.536 169 2HG GLU 20 HG1 GLU 20 -10.544 4.833 8.295 170 H ALA 21 HN ALA 21 -10.263 3.199 2.753 171 HA ALA 21 HA ALA 21 -10.382 5.867 1.381 172 1HB ALA 21 HB1 ALA 21 -8.723 3.470 0.957 173 2HB ALA 21 HB2 ALA 21 -8.453 5.128 0.419 174 3HB ALA 21 HB3 ALA 21 -9.501 4.058 -0.512 175 H VAL 22 HN VAL 22 -11.869 5.943 -0.420 176 HA VAL 22 HA VAL 22 -14.225 4.261 -0.109 177 HB VAL 22 HB VAL 22 -14.320 6.651 -0.675 178 1HG1 VAL 22 HG11 VAL 22 -12.545 7.286 -1.977 179 2HG1 VAL 22 HG12 VAL 22 -13.704 7.005 -3.275 180 3HG1 VAL 22 HG13 VAL 22 -12.517 5.769 -2.872 181 1HG2 VAL 22 HG21 VAL 22 -16.077 6.486 -2.195 182 2HG2 VAL 22 HG22 VAL 22 -15.962 4.819 -1.632 183 3HG2 VAL 22 HG23 VAL 22 -15.249 5.279 -3.178 184 H ASP 23 HN ASP 23 -11.371 4.159 -2.126 185 HA ASP 23 HA ASP 23 -12.039 1.542 -3.168 186 1HB ASP 23 HB2 ASP 23 -12.275 2.279 -5.548 187 2HB ASP 23 HB1 ASP 23 -13.575 2.876 -4.522 188 H ALA 24 HN ALA 24 -10.410 1.150 -5.179 189 HA ALA 24 HA ALA 24 -7.776 1.249 -4.220 190 1HB ALA 24 HB1 ALA 24 -7.336 0.150 -6.185 191 2HB ALA 24 HB2 ALA 24 -8.186 1.350 -7.158 192 3HB ALA 24 HB3 ALA 24 -9.095 0.110 -6.294 193 H ALA 25 HN ALA 25 -9.586 3.721 -5.916 194 HA ALA 25 HA ALA 25 -7.479 5.298 -6.999 195 1HB ALA 25 HB1 ALA 25 -9.169 6.904 -7.263 196 2HB ALA 25 HB2 ALA 25 -9.940 6.482 -5.734 197 3HB ALA 25 HB3 ALA 25 -10.102 5.413 -7.128 198 H THR 26 HN THR 26 -9.115 5.633 -3.825 199 HA THR 26 HA THR 26 -7.176 7.621 -2.889 200 HB THR 26 HB THR 26 -9.302 6.044 -1.404 201 HG1 THR 26 HG1 THR 26 -10.580 7.907 -1.895 202 1HG2 THR 26 HG21 THR 26 -8.167 7.137 0.277 203 2HG2 THR 26 HG22 THR 26 -9.261 8.431 -0.210 204 3HG2 THR 26 HG23 THR 26 -7.598 8.416 -0.795 205 H ALA 27 HN ALA 27 -7.593 4.142 -2.653 206 HA ALA 27 HA ALA 27 -6.011 3.576 -0.352 207 1HB ALA 27 HB1 ALA 27 -5.905 1.805 -2.756 208 2HB ALA 27 HB2 ALA 27 -7.492 2.155 -2.073 209 3HB ALA 27 HB3 ALA 27 -6.252 1.393 -1.077 210 H GLU 28 HN GLU 28 -4.939 3.226 -3.758 211 HA GLU 28 HA GLU 28 -2.148 3.028 -3.182 212 1HB GLU 28 HB2 GLU 28 -3.699 2.675 -5.338 213 2HB GLU 28 HB1 GLU 28 -3.126 4.302 -5.709 214 1HG GLU 28 HG2 GLU 28 -0.785 3.521 -5.416 215 2HG GLU 28 HG1 GLU 28 -1.385 1.889 -5.124 216 H LYS 29 HN LYS 29 -4.183 5.864 -3.924 217 HA LYS 29 HA LYS 29 -2.154 7.838 -4.136 218 1HB LYS 29 HB2 LYS 29 -4.650 7.996 -4.587 219 2HB LYS 29 HB1 LYS 29 -4.879 8.150 -2.845 220 1HG LYS 29 HG2 LYS 29 -3.295 10.111 -2.890 221 2HG LYS 29 HG1 LYS 29 -3.312 10.010 -4.651 222 1HD LYS 29 HD2 LYS 29 -5.972 10.001 -4.188 223 2HD LYS 29 HD1 LYS 29 -5.439 10.931 -2.787 224 1HE LYS 29 HE2 LYS 29 -4.305 12.544 -4.212 225 2HE LYS 29 HE1 LYS 29 -4.645 11.564 -5.652 226 1HZ LYS 29 HZ1 LYS 29 -6.282 13.390 -5.232 227 2HZ LYS 29 HZ2 LYS 29 -6.755 12.569 -3.823 228 3HZ LYS 29 HZ3 LYS 29 -6.966 11.843 -5.344 229 H VAL 30 HN VAL 30 -3.751 6.488 -1.263 230 HA VAL 30 HA VAL 30 -2.315 8.261 0.592 231 HB VAL 30 HB VAL 30 -4.076 5.807 0.938 232 1HG1 VAL 30 HG11 VAL 30 -2.845 7.728 2.910 233 2HG1 VAL 30 HG12 VAL 30 -2.891 5.964 2.969 234 3HG1 VAL 30 HG13 VAL 30 -4.356 6.897 3.281 235 1HG2 VAL 30 HG21 VAL 30 -4.905 8.100 -0.096 236 2HG2 VAL 30 HG22 VAL 30 -4.881 8.622 1.589 237 3HG2 VAL 30 HG23 VAL 30 -5.886 7.257 1.102 238 H PHE 31 HN PHE 31 -2.299 4.761 -0.174 239 HA PHE 31 HA PHE 31 -0.140 4.062 1.573 240 1HB PHE 31 HB2 PHE 31 -1.508 2.898 -0.829 241 2HB PHE 31 HB1 PHE 31 -0.021 2.140 -0.258 242 HD1 PHE 31 HD1 PHE 31 -0.056 2.262 2.583 243 HD2 PHE 31 HD2 PHE 31 -3.383 1.733 -0.081 244 HE1 PHE 31 HE1 PHE 31 -1.323 1.132 4.391 245 HE2 PHE 31 HE2 PHE 31 -4.649 0.606 1.728 246 HZ PHE 31 HZ PHE 31 -3.621 0.305 3.963 247 H LYS 32 HN LYS 32 -0.202 5.261 -1.767 248 HA LYS 32 HA LYS 32 2.557 4.767 -2.399 249 1HB LYS 32 HB2 LYS 32 0.766 5.340 -4.027 250 2HB LYS 32 HB1 LYS 32 0.666 6.958 -3.332 251 1HG LYS 32 HG2 LYS 32 2.663 7.632 -4.260 252 2HG LYS 32 HG1 LYS 32 3.357 6.011 -4.203 253 1HD LYS 32 HD2 LYS 32 1.747 5.350 -6.033 254 2HD LYS 32 HD1 LYS 32 1.301 7.051 -6.169 255 1HE LYS 32 HE2 LYS 32 3.862 7.476 -6.426 256 2HE LYS 32 HE1 LYS 32 3.943 5.745 -6.810 257 1HZ LYS 32 HZ1 LYS 32 3.526 7.088 -8.800 258 2HZ LYS 32 HZ2 LYS 32 2.106 7.699 -8.094 259 3HZ LYS 32 HZ3 LYS 32 2.229 6.047 -8.469 260 H GLN 33 HN GLN 33 0.871 7.612 -1.045 261 HA GLN 33 HA GLN 33 3.162 9.297 -0.746 262 1HB GLN 33 HB2 GLN 33 0.735 9.942 -0.622 263 2HB GLN 33 HB1 GLN 33 0.653 9.147 0.951 264 1HG GLN 33 HG2 GLN 33 1.028 11.478 1.384 265 2HG GLN 33 HG1 GLN 33 2.560 10.658 1.687 266 1HE2 GLN 33 HE21 GLN 33 3.924 12.463 1.127 267 2HE2 GLN 33 HE22 GLN 33 4.020 13.073 -0.454 268 H TYR 34 HN TYR 34 1.883 6.688 1.161 269 HA TYR 34 HA TYR 34 3.434 7.167 3.570 270 1HB TYR 34 HB2 TYR 34 1.489 5.875 3.845 271 2HB TYR 34 HB1 TYR 34 1.752 4.979 2.354 272 HD1 TYR 34 HD1 TYR 34 2.822 5.352 5.881 273 HD2 TYR 34 HD2 TYR 34 3.043 2.957 2.328 274 HE1 TYR 34 HE1 TYR 34 3.866 3.514 7.185 275 HE2 TYR 34 HE2 TYR 34 4.085 1.119 3.621 276 HH TYR 34 HH TYR 34 4.135 1.078 7.033 277 H ALA 35 HN ALA 35 3.738 4.776 0.915 278 HA ALA 35 HA ALA 35 6.257 3.689 1.689 279 1HB ALA 35 HB1 ALA 35 5.245 2.412 0.071 280 2HB ALA 35 HB2 ALA 35 6.208 3.412 -1.018 281 3HB ALA 35 HB3 ALA 35 4.518 3.817 -0.715 282 H ASN 36 HN ASN 36 5.456 6.469 -0.386 283 HA ASN 36 HA ASN 36 8.021 7.039 -1.416 284 1HB ASN 36 HB2 ASN 36 5.570 8.045 -1.731 285 2HB ASN 36 HB1 ASN 36 6.182 9.249 -0.596 286 1HD2 ASN 36 HD21 ASN 36 5.732 9.041 -3.765 287 2HD2 ASN 36 HD22 ASN 36 7.133 9.792 -4.359 288 H ASP 37 HN ASP 37 6.539 7.982 1.677 289 HA ASP 37 HA ASP 37 8.652 9.752 2.535 290 1HB ASP 37 HB2 ASP 37 6.156 9.255 3.338 291 2HB ASP 37 HB1 ASP 37 6.984 8.173 4.458 292 H ASN 38 HN ASN 38 8.044 6.274 3.007 293 HA ASN 38 HA ASN 38 10.398 5.914 4.724 294 1HB ASN 38 HB2 ASN 38 8.492 4.008 3.326 295 2HB ASN 38 HB1 ASN 38 9.693 3.522 4.523 296 1HD2 ASN 38 HD21 ASN 38 6.551 3.703 4.508 297 2HD2 ASN 38 HD22 ASN 38 6.214 4.474 5.982 298 H GLY 39 HN GLY 39 9.556 5.467 1.322 299 1HA GLY 39 HA2 GLY 39 11.264 5.608 -0.415 300 2HA GLY 39 HA1 GLY 39 12.434 4.963 0.736 301 H ILE 40 HN ILE 40 9.174 3.829 -0.202 302 HA ILE 40 HA ILE 40 10.357 1.124 -0.661 303 HB ILE 40 HB ILE 40 7.536 2.106 -0.100 304 1HG1 ILE 40 HG12 ILE 40 9.492 0.487 1.566 305 2HG1 ILE 40 HG11 ILE 40 9.168 2.205 1.785 306 1HG2 ILE 40 HG21 ILE 40 8.627 -0.568 -0.894 307 2HG2 ILE 40 HG22 ILE 40 7.054 0.147 -1.260 308 3HG2 ILE 40 HG23 ILE 40 7.367 -0.534 0.338 309 1HD1 ILE 40 HD11 ILE 40 6.979 1.824 2.548 310 2HD1 ILE 40 HD12 ILE 40 7.886 0.496 3.275 311 3HD1 ILE 40 HD13 ILE 40 6.910 0.214 1.833 312 H ASP 41 HN ASP 41 11.036 2.448 -2.797 313 HA ASP 41 HA ASP 41 8.914 2.617 -4.833 314 1HB ASP 41 HB2 ASP 41 11.925 2.965 -4.762 315 2HB ASP 41 HB1 ASP 41 10.997 3.114 -6.255 316 H GLY 42 HN GLY 42 8.659 0.123 -4.022 317 1HA GLY 42 HA2 GLY 42 10.465 -1.688 -5.493 318 2HA GLY 42 HA1 GLY 42 9.190 -2.169 -4.371 319 H GLU 43 HN GLU 43 8.079 -3.566 -5.686 320 HA GLU 43 HA GLU 43 6.980 -2.486 -8.216 321 1HB GLU 43 HB2 GLU 43 7.689 -5.257 -7.245 322 2HB GLU 43 HB1 GLU 43 6.687 -5.007 -8.675 323 1HG GLU 43 HG2 GLU 43 9.243 -3.474 -8.501 324 2HG GLU 43 HG1 GLU 43 9.350 -5.201 -8.846 325 H TRP 44 HN TRP 44 4.957 -1.722 -7.750 326 HA TRP 44 HA TRP 44 3.381 -2.773 -5.578 327 1HB TRP 44 HB2 TRP 44 3.037 -0.704 -7.727 328 2HB TRP 44 HB1 TRP 44 1.708 -1.114 -6.635 329 HD1 TRP 44 HD1 TRP 44 5.435 -0.113 -6.406 330 HE1 TRP 44 HE1 TRP 44 5.759 1.264 -4.248 331 HE3 TRP 44 HE3 TRP 44 0.703 -0.333 -4.501 332 HZ2 TRP 44 HZ2 TRP 44 4.216 2.134 -2.006 333 HZ3 TRP 44 HZ3 TRP 44 0.157 0.779 -2.355 334 HH2 TRP 44 HH2 TRP 44 1.906 2.016 -1.107 335 H THR 45 HN THR 45 1.569 -3.997 -5.646 336 HA THR 45 HA THR 45 0.345 -4.850 -8.185 337 HB THR 45 HB THR 45 0.721 -7.287 -7.401 338 HG1 THR 45 HG1 THR 45 2.385 -7.593 -5.999 339 1HG2 THR 45 HG21 THR 45 2.602 -7.454 -8.765 340 2HG2 THR 45 HG22 THR 45 3.311 -5.965 -8.140 341 3HG2 THR 45 HG23 THR 45 1.951 -5.891 -9.260 342 H TYR 46 HN TYR 46 -1.818 -5.124 -7.784 343 HA TYR 46 HA TYR 46 -2.701 -5.070 -4.937 344 1HB TYR 46 HB2 TYR 46 -3.511 -3.254 -6.261 345 2HB TYR 46 HB1 TYR 46 -3.877 -4.303 -7.624 346 HD1 TYR 46 HD1 TYR 46 -5.795 -5.933 -7.449 347 HD2 TYR 46 HD2 TYR 46 -5.117 -2.859 -4.527 348 HE1 TYR 46 HE1 TYR 46 -8.130 -6.173 -6.652 349 HE2 TYR 46 HE2 TYR 46 -7.441 -3.097 -3.734 350 HH TYR 46 HH TYR 46 -9.788 -4.191 -5.220 351 H ASP 47 HN ASP 47 -4.528 -6.457 -4.332 352 HA ASP 47 HA ASP 47 -4.853 -8.909 -6.025 353 1HB ASP 47 HB2 ASP 47 -3.382 -8.716 -3.705 354 2HB ASP 47 HB1 ASP 47 -4.953 -9.227 -3.088 355 H ASP 48 HN ASP 48 -6.981 -8.832 -6.631 356 HA ASP 48 HA ASP 48 -9.052 -7.425 -5.205 357 1HB ASP 48 HB2 ASP 48 -8.705 -8.374 -7.703 358 2HB ASP 48 HB1 ASP 48 -9.705 -9.673 -7.049 359 H ALA 49 HN ALA 49 -7.728 -10.633 -4.850 360 HA ALA 49 HA ALA 49 -9.882 -12.107 -3.823 361 1HB ALA 49 HB1 ALA 49 -7.244 -12.360 -2.480 362 2HB ALA 49 HB2 ALA 49 -7.236 -12.492 -4.239 363 3HB ALA 49 HB3 ALA 49 -8.219 -13.594 -3.276 364 H THR 50 HN THR 50 -7.729 -9.828 -2.126 365 HA THR 50 HA THR 50 -9.773 -9.554 0.021 366 HB THR 50 HB THR 50 -8.002 -9.949 1.724 367 HG1 THR 50 HG1 THR 50 -6.129 -9.534 0.760 368 1HG2 THR 50 HG21 THR 50 -9.465 -11.807 0.794 369 2HG2 THR 50 HG22 THR 50 -7.945 -12.336 1.516 370 3HG2 THR 50 HG23 THR 50 -8.105 -12.248 -0.239 371 H LYS 51 HN LYS 51 -8.334 -7.884 -2.208 372 HA LYS 51 HA LYS 51 -7.518 -5.678 -2.452 373 1HB LYS 51 HB2 LYS 51 -9.560 -5.839 -0.413 374 2HB LYS 51 HB1 LYS 51 -8.414 -4.572 0.019 375 1HG LYS 51 HG2 LYS 51 -9.661 -3.289 -1.386 376 2HG LYS 51 HG1 LYS 51 -8.723 -4.088 -2.648 377 1HD LYS 51 HD2 LYS 51 -10.986 -4.376 -3.311 378 2HD LYS 51 HD1 LYS 51 -10.531 -5.921 -2.591 379 1HE LYS 51 HE2 LYS 51 -11.957 -5.655 -0.821 380 2HE LYS 51 HE1 LYS 51 -11.620 -3.917 -0.690 381 1HZ LYS 51 HZ1 LYS 51 -12.932 -3.504 -2.637 382 2HZ LYS 51 HZ2 LYS 51 -13.876 -4.400 -1.544 383 3HZ LYS 51 HZ3 LYS 51 -13.178 -5.163 -2.893 384 H THR 52 HN THR 52 -5.226 -6.206 -2.210 385 HA THR 52 HA THR 52 -4.077 -5.114 0.298 386 HB THR 52 HB THR 52 -3.278 -7.830 -0.762 387 HG1 THR 52 HG1 THR 52 -5.028 -7.260 1.391 388 1HG2 THR 52 HG21 THR 52 -2.680 -6.167 1.661 389 2HG2 THR 52 HG22 THR 52 -1.576 -7.092 0.644 390 3HG2 THR 52 HG23 THR 52 -2.628 -7.925 1.788 391 H PHE 53 HN PHE 53 -2.936 -3.472 -0.763 392 HA PHE 53 HA PHE 53 -1.561 -3.735 -3.281 393 1HB PHE 53 HB2 PHE 53 -1.325 -1.893 -0.884 394 2HB PHE 53 HB1 PHE 53 -0.362 -1.660 -2.342 395 HD1 PHE 53 HD1 PHE 53 -1.439 -1.103 -4.492 396 HD2 PHE 53 HD2 PHE 53 -3.707 -1.456 -0.862 397 HE1 PHE 53 HE1 PHE 53 -3.344 0.064 -5.569 398 HE2 PHE 53 HE2 PHE 53 -5.613 -0.290 -1.936 399 HZ PHE 53 HZ PHE 53 -5.430 0.472 -4.292 400 H THR 54 HN THR 54 0.472 -4.636 -3.693 401 HA THR 54 HA THR 54 2.107 -5.404 -1.283 402 HB THR 54 HB THR 54 1.662 -6.900 -3.882 403 HG1 THR 54 HG1 THR 54 -0.165 -7.024 -2.678 404 1HG2 THR 54 HG21 THR 54 2.740 -8.248 -1.475 405 2HG2 THR 54 HG22 THR 54 3.837 -7.121 -2.270 406 3HG2 THR 54 HG23 THR 54 3.156 -8.473 -3.174 407 H VAL 55 HN VAL 55 3.752 -3.801 -1.416 408 HA VAL 55 HA VAL 55 5.221 -3.575 -3.974 409 HB VAL 55 HB VAL 55 4.400 -1.473 -2.872 410 1HG1 VAL 55 HG11 VAL 55 4.737 -2.359 -0.521 411 2HG1 VAL 55 HG12 VAL 55 5.334 -0.720 -0.800 412 3HG1 VAL 55 HG13 VAL 55 6.462 -2.084 -0.768 413 1HG2 VAL 55 HG21 VAL 55 7.410 -1.679 -2.829 414 2HG2 VAL 55 HG22 VAL 55 6.444 -0.240 -3.140 415 3HG2 VAL 55 HG23 VAL 55 6.463 -1.557 -4.312 416 H THR 56 HN THR 56 7.664 -3.445 -3.684 417 HA THR 56 HA THR 56 8.823 -4.765 -1.332 418 HB THR 56 HB THR 56 8.676 -6.048 -4.075 419 HG1 THR 56 HG1 THR 56 6.900 -6.750 -3.213 420 1HG2 THR 56 HG21 THR 56 10.703 -6.880 -3.388 421 2HG2 THR 56 HG22 THR 56 9.673 -7.980 -2.472 422 3HG2 THR 56 HG23 THR 56 10.370 -6.564 -1.685 423 H GLU 57 HN GLU 57 10.532 -3.343 -1.102 424 HA GLU 57 HA GLU 57 12.074 -2.548 -3.546 425 1HB GLU 57 HB2 GLU 57 10.963 -0.787 -2.158 426 2HB GLU 57 HB1 GLU 57 11.933 -1.305 -0.779 427 1HG GLU 57 HG2 GLU 57 13.386 -0.683 -3.307 428 2HG GLU 57 HG1 GLU 57 12.727 0.678 -2.399 Start of MODEL 5 1 1H MET 1 HT1 MET 1 15.779 -2.395 5.915 2 2H MET 1 HT2 MET 1 16.613 -1.919 4.514 3 3H MET 1 HT3 MET 1 16.684 -3.532 5.041 4 HA MET 1 HA MET 1 15.170 -3.497 3.223 5 1HB MET 1 HB2 MET 1 14.092 -3.650 6.032 6 2HB MET 1 HB1 MET 1 13.027 -3.963 4.660 7 1HG MET 1 HG2 MET 1 14.661 -5.667 3.837 8 2HG MET 1 HG1 MET 1 15.613 -5.411 5.300 9 1HE MET 1 HE1 MET 1 14.911 -5.427 7.407 10 2HE MET 1 HE2 MET 1 14.156 -6.875 8.070 11 3HE MET 1 HE3 MET 1 13.201 -5.409 7.860 12 H THR 2 HN THR 2 13.742 -2.303 1.968 13 HA THR 2 HA THR 2 13.332 0.509 2.587 14 HB THR 2 HB THR 2 12.129 -1.276 0.446 15 HG1 THR 2 HG1 THR 2 14.297 -1.380 0.221 16 1HG2 THR 2 HG21 THR 2 10.945 0.819 0.572 17 2HG2 THR 2 HG22 THR 2 12.041 0.914 -0.808 18 3HG2 THR 2 HG23 THR 2 12.455 1.722 0.704 19 H THR 3 HN THR 3 11.843 1.069 4.131 20 HA THR 3 HA THR 3 9.485 -0.562 4.655 21 HB THR 3 HB THR 3 10.396 2.094 5.788 22 HG1 THR 3 HG1 THR 3 11.974 0.740 6.315 23 1HG2 THR 3 HG21 THR 3 7.972 1.240 6.131 24 2HG2 THR 3 HG22 THR 3 8.890 1.716 7.559 25 3HG2 THR 3 HG23 THR 3 8.707 0.009 7.157 26 H PHE 4 HN PHE 4 8.126 -0.315 2.796 27 HA PHE 4 HA PHE 4 7.485 2.323 1.705 28 1HB PHE 4 HB2 PHE 4 6.334 -0.464 1.368 29 2HB PHE 4 HB1 PHE 4 5.816 0.925 0.415 30 HD1 PHE 4 HD1 PHE 4 8.510 -1.480 1.053 31 HD2 PHE 4 HD2 PHE 4 7.346 1.989 -1.195 32 HE1 PHE 4 HE1 PHE 4 10.420 -1.838 -0.487 33 HE2 PHE 4 HE2 PHE 4 9.256 1.633 -2.736 34 HZ PHE 4 HZ PHE 4 10.792 -0.282 -2.382 35 H LYS 5 HN LYS 5 4.975 2.810 1.532 36 HA LYS 5 HA LYS 5 3.563 2.171 4.086 37 1HB LYS 5 HB2 LYS 5 4.684 4.749 3.138 38 2HB LYS 5 HB1 LYS 5 3.048 4.833 3.793 39 1HG LYS 5 HG2 LYS 5 3.713 4.209 5.915 40 2HG LYS 5 HG1 LYS 5 5.078 3.261 5.322 41 1HD LYS 5 HD2 LYS 5 6.476 5.081 5.217 42 2HD LYS 5 HD1 LYS 5 5.166 6.196 4.826 43 1HE LYS 5 HE2 LYS 5 4.412 6.229 7.130 44 2HE LYS 5 HE1 LYS 5 5.554 4.943 7.567 45 1HZ LYS 5 HZ1 LYS 5 7.384 6.341 6.963 46 2HZ LYS 5 HZ2 LYS 5 6.405 7.204 8.051 47 3HZ LYS 5 HZ3 LYS 5 6.345 7.553 6.389 48 H LEU 6 HN LEU 6 1.494 1.572 3.575 49 HA LEU 6 HA LEU 6 0.363 2.427 0.947 50 1HB LEU 6 HB2 LEU 6 0.543 0.024 1.352 51 2HB LEU 6 HB1 LEU 6 -0.316 0.188 2.883 52 HG LEU 6 HG LEU 6 -2.295 1.074 1.597 53 1HD1 LEU 6 HD11 LEU 6 -2.257 0.478 -0.887 54 2HD1 LEU 6 HD12 LEU 6 -0.508 0.316 -0.721 55 3HD1 LEU 6 HD13 LEU 6 -1.283 1.870 -0.413 56 1HD2 LEU 6 HD21 LEU 6 -1.189 -1.691 1.258 57 2HD2 LEU 6 HD22 LEU 6 -2.669 -1.261 0.400 58 3HD2 LEU 6 HD23 LEU 6 -2.609 -1.158 2.160 59 H ILE 7 HN ILE 7 -1.061 4.115 1.063 60 HA ILE 7 HA ILE 7 -2.224 5.036 3.549 61 HB ILE 7 HB ILE 7 -1.643 6.178 1.202 62 1HG1 ILE 7 HG12 ILE 7 -3.464 7.928 1.800 63 2HG1 ILE 7 HG11 ILE 7 -3.802 6.870 3.169 64 1HG2 ILE 7 HG21 ILE 7 -4.620 5.745 0.878 65 2HG2 ILE 7 HG22 ILE 7 -3.413 4.807 0.001 66 3HG2 ILE 7 HG23 ILE 7 -3.519 6.550 -0.238 67 1HD1 ILE 7 HD11 ILE 7 -2.171 8.179 4.136 68 2HD1 ILE 7 HD12 ILE 7 -1.379 8.512 2.595 69 3HD1 ILE 7 HD13 ILE 7 -1.135 6.959 3.395 70 H ILE 8 HN ILE 8 -4.770 5.218 3.683 71 HA ILE 8 HA ILE 8 -6.000 2.694 2.629 72 HB ILE 8 HB ILE 8 -6.229 3.891 5.414 73 1HG1 ILE 8 HG12 ILE 8 -4.913 1.310 4.511 74 2HG1 ILE 8 HG11 ILE 8 -4.029 2.796 4.864 75 1HG2 ILE 8 HG21 ILE 8 -8.267 2.679 4.529 76 2HG2 ILE 8 HG22 ILE 8 -7.552 1.949 5.966 77 3HG2 ILE 8 HG23 ILE 8 -7.264 1.237 4.378 78 1HD1 ILE 8 HD11 ILE 8 -3.910 1.818 6.946 79 2HD1 ILE 8 HD12 ILE 8 -5.414 0.925 6.729 80 3HD1 ILE 8 HD13 ILE 8 -5.458 2.642 7.126 81 H ASN 9 HN ASN 9 -6.821 4.376 1.003 82 HA ASN 9 HA ASN 9 -8.999 6.098 2.089 83 1HB ASN 9 HB2 ASN 9 -7.117 6.151 -0.130 84 2HB ASN 9 HB1 ASN 9 -8.766 6.347 -0.722 85 1HD2 ASN 9 HD21 ASN 9 -6.215 8.191 0.192 86 2HD2 ASN 9 HD22 ASN 9 -7.026 9.523 0.862 87 H GLY 10 HN GLY 10 -9.475 3.384 2.306 88 1HA GLY 10 HA2 GLY 10 -11.257 2.684 0.022 89 2HA GLY 10 HA1 GLY 10 -10.645 1.543 1.223 90 H LYS 11 HN LYS 11 -13.359 1.656 0.640 91 HA LYS 11 HA LYS 11 -14.750 3.297 2.636 92 1HB LYS 11 HB2 LYS 11 -15.566 2.584 0.331 93 2HB LYS 11 HB1 LYS 11 -15.765 0.962 0.995 94 1HG LYS 11 HG2 LYS 11 -17.265 1.895 2.750 95 2HG LYS 11 HG1 LYS 11 -17.116 3.485 2.000 96 1HD LYS 11 HD2 LYS 11 -19.034 2.764 0.942 97 2HD LYS 11 HD1 LYS 11 -17.837 2.105 -0.174 98 1HE LYS 11 HE2 LYS 11 -18.265 -0.061 0.447 99 2HE LYS 11 HE1 LYS 11 -18.515 0.375 2.149 100 1HZ LYS 11 HZ1 LYS 11 -20.385 0.889 -0.103 101 2HZ LYS 11 HZ2 LYS 11 -20.600 1.472 1.478 102 3HZ LYS 11 HZ3 LYS 11 -20.624 -0.200 1.175 103 H THR 12 HN THR 12 -12.868 0.548 2.951 104 HA THR 12 HA THR 12 -14.624 -0.668 5.045 105 HB THR 12 HB THR 12 -12.157 -1.715 3.616 106 HG1 THR 12 HG1 THR 12 -13.528 -2.661 2.248 107 1HG2 THR 12 HG21 THR 12 -14.197 -3.427 4.980 108 2HG2 THR 12 HG22 THR 12 -12.998 -2.597 5.971 109 3HG2 THR 12 HG23 THR 12 -12.478 -3.725 4.719 110 H LEU 13 HN LEU 13 -11.451 0.787 4.432 111 HA LEU 13 HA LEU 13 -11.021 0.899 7.398 112 1HB LEU 13 HB2 LEU 13 -9.196 -0.102 5.208 113 2HB LEU 13 HB1 LEU 13 -8.562 0.420 6.769 114 HG LEU 13 HG LEU 13 -10.786 -1.613 6.530 115 1HD1 LEU 13 HD11 LEU 13 -9.018 -2.703 5.409 116 2HD1 LEU 13 HD12 LEU 13 -8.840 -3.238 7.080 117 3HD1 LEU 13 HD13 LEU 13 -7.793 -1.970 6.444 118 1HD2 LEU 13 HD21 LEU 13 -10.554 -1.861 8.802 119 2HD2 LEU 13 HD22 LEU 13 -9.967 -0.202 8.684 120 3HD2 LEU 13 HD23 LEU 13 -8.820 -1.540 8.765 121 H LYS 14 HN LYS 14 -9.256 2.529 7.929 122 HA LYS 14 HA LYS 14 -8.760 4.620 5.901 123 1HB LYS 14 HB2 LYS 14 -10.985 4.671 7.692 124 2HB LYS 14 HB1 LYS 14 -9.847 5.896 8.250 125 1HG LYS 14 HG2 LYS 14 -9.732 6.503 5.675 126 2HG LYS 14 HG1 LYS 14 -11.311 5.717 5.641 127 1HD LYS 14 HD2 LYS 14 -12.274 7.288 7.079 128 2HD LYS 14 HD1 LYS 14 -10.716 7.770 7.754 129 1HE LYS 14 HE2 LYS 14 -10.159 9.071 5.859 130 2HE LYS 14 HE1 LYS 14 -11.371 8.265 4.843 131 1HZ LYS 14 HZ1 LYS 14 -13.090 9.131 6.373 132 2HZ LYS 14 HZ2 LYS 14 -12.256 10.363 5.552 133 3HZ LYS 14 HZ3 LYS 14 -11.896 10.026 7.178 134 H GLY 15 HN GLY 15 -6.782 5.569 6.319 135 1HA GLY 15 HA2 GLY 15 -5.475 6.588 8.332 136 2HA GLY 15 HA1 GLY 15 -5.486 4.927 8.923 137 H GLU 16 HN GLU 16 -3.269 4.536 8.765 138 HA GLU 16 HA GLU 16 -2.180 4.409 5.978 139 1HB GLU 16 HB2 GLU 16 -0.949 5.557 8.498 140 2HB GLU 16 HB1 GLU 16 -0.008 5.201 7.049 141 1HG GLU 16 HG2 GLU 16 -1.942 6.616 5.882 142 2HG GLU 16 HG1 GLU 16 -2.074 7.314 7.497 143 H THR 17 HN THR 17 -0.389 2.839 5.789 144 HA THR 17 HA THR 17 -0.277 0.813 7.992 145 HB THR 17 HB THR 17 -0.525 0.214 5.030 146 HG1 THR 17 HG1 THR 17 -2.424 1.163 5.671 147 1HG2 THR 17 HG21 THR 17 0.498 -1.510 6.550 148 2HG2 THR 17 HG22 THR 17 -0.992 -2.040 5.770 149 3HG2 THR 17 HG23 THR 17 -1.013 -1.528 7.458 150 H THR 18 HN THR 18 1.688 -0.525 7.887 151 HA THR 18 HA THR 18 3.852 0.483 6.093 152 HB THR 18 HB THR 18 5.299 0.554 8.201 153 HG1 THR 18 HG1 THR 18 4.164 0.677 10.136 154 1HG2 THR 18 HG21 THR 18 3.025 2.499 8.439 155 2HG2 THR 18 HG22 THR 18 4.038 2.514 6.996 156 3HG2 THR 18 HG23 THR 18 4.758 2.790 8.582 157 H THR 19 HN THR 19 5.604 -1.047 5.859 158 HA THR 19 HA THR 19 5.477 -3.649 7.224 159 HB THR 19 HB THR 19 3.721 -3.818 5.501 160 HG1 THR 19 HG1 THR 19 4.378 -5.752 5.037 161 1HG2 THR 19 HG21 THR 19 5.783 -3.532 3.342 162 2HG2 THR 19 HG22 THR 19 5.045 -2.081 4.017 163 3HG2 THR 19 HG23 THR 19 4.036 -3.309 3.253 164 H GLU 20 HN GLU 20 7.349 -5.008 6.625 165 HA GLU 20 HA GLU 20 9.683 -3.368 5.808 166 1HB GLU 20 HB2 GLU 20 9.142 -5.931 7.261 167 2HB GLU 20 HB1 GLU 20 10.729 -5.716 6.522 168 1HG GLU 20 HG2 GLU 20 11.329 -4.040 7.967 169 2HG GLU 20 HG1 GLU 20 9.683 -3.416 8.090 170 H ALA 21 HN ALA 21 10.334 -3.436 3.698 171 HA ALA 21 HA ALA 21 10.216 -6.014 2.213 172 1HB ALA 21 HB1 ALA 21 8.875 -5.122 0.488 173 2HB ALA 21 HB2 ALA 21 9.197 -3.459 0.976 174 3HB ALA 21 HB3 ALA 21 8.128 -4.472 1.946 175 H VAL 22 HN VAL 22 11.980 -6.228 0.840 176 HA VAL 22 HA VAL 22 14.240 -4.532 1.047 177 HB VAL 22 HB VAL 22 15.043 -5.916 -0.841 178 1HG1 VAL 22 HG11 VAL 22 14.527 -6.752 1.645 179 2HG1 VAL 22 HG12 VAL 22 15.179 -7.833 0.413 180 3HG1 VAL 22 HG13 VAL 22 13.452 -7.842 0.768 181 1HG2 VAL 22 HG21 VAL 22 12.112 -6.431 -1.127 182 2HG2 VAL 22 HG22 VAL 22 13.226 -7.741 -1.512 183 3HG2 VAL 22 HG23 VAL 22 13.335 -6.209 -2.377 184 H ASP 23 HN ASP 23 11.541 -4.524 -1.240 185 HA ASP 23 HA ASP 23 12.061 -1.787 -2.045 186 1HB ASP 23 HB2 ASP 23 12.635 -2.367 -4.426 187 2HB ASP 23 HB1 ASP 23 13.873 -2.848 -3.270 188 H ALA 24 HN ALA 24 10.654 -1.408 -4.217 189 HA ALA 24 HA ALA 24 7.945 -1.813 -3.601 190 1HB ALA 24 HB1 ALA 24 9.509 -1.185 -6.089 191 2HB ALA 24 HB2 ALA 24 8.456 -0.130 -5.147 192 3HB ALA 24 HB3 ALA 24 7.758 -1.373 -6.184 193 H ALA 25 HN ALA 25 10.184 -3.964 -5.225 194 HA ALA 25 HA ALA 25 8.387 -5.658 -6.640 195 1HB ALA 25 HB1 ALA 25 11.072 -5.483 -6.235 196 2HB ALA 25 HB2 ALA 25 10.296 -6.893 -6.955 197 3HB ALA 25 HB3 ALA 25 10.698 -6.889 -5.238 198 H THR 26 HN THR 26 9.096 -5.418 -3.208 199 HA THR 26 HA THR 26 7.380 -7.820 -2.683 200 HB THR 26 HB THR 26 9.429 -6.444 -0.918 201 HG1 THR 26 HG1 THR 26 10.478 -7.319 -2.663 202 1HG2 THR 26 HG21 THR 26 9.342 -8.714 0.228 203 2HG2 THR 26 HG22 THR 26 7.907 -9.051 -0.740 204 3HG2 THR 26 HG23 THR 26 7.899 -7.715 0.412 205 H ALA 27 HN ALA 27 7.809 -4.386 -2.079 206 HA ALA 27 HA ALA 27 6.130 -4.004 0.182 207 1HB ALA 27 HB1 ALA 27 7.658 -2.441 -1.363 208 2HB ALA 27 HB2 ALA 27 6.365 -1.765 -0.372 209 3HB ALA 27 HB3 ALA 27 6.097 -2.058 -2.091 210 H GLU 28 HN GLU 28 5.204 -3.505 -3.247 211 HA GLU 28 HA GLU 28 2.391 -3.284 -2.804 212 1HB GLU 28 HB2 GLU 28 3.779 -2.691 -4.852 213 2HB GLU 28 HB1 GLU 28 3.802 -4.412 -5.241 214 1HG GLU 28 HG2 GLU 28 1.404 -4.479 -5.447 215 2HG GLU 28 HG1 GLU 28 1.249 -2.845 -4.800 216 H LYS 29 HN LYS 29 4.451 -6.132 -3.362 217 HA LYS 29 HA LYS 29 2.437 -8.088 -3.807 218 1HB LYS 29 HB2 LYS 29 4.965 -8.277 -3.983 219 2HB LYS 29 HB1 LYS 29 5.002 -8.429 -2.226 220 1HG LYS 29 HG2 LYS 29 3.627 -10.431 -2.317 221 2HG LYS 29 HG1 LYS 29 3.407 -10.244 -4.057 222 1HD LYS 29 HD2 LYS 29 6.070 -10.257 -4.038 223 2HD LYS 29 HD1 LYS 29 5.818 -11.150 -2.538 224 1HE LYS 29 HE2 LYS 29 4.641 -12.896 -3.639 225 2HE LYS 29 HE1 LYS 29 4.378 -11.910 -5.091 226 1HZ LYS 29 HZ1 LYS 29 7.061 -12.660 -4.063 227 2HZ LYS 29 HZ2 LYS 29 6.705 -11.889 -5.534 228 3HZ LYS 29 HZ3 LYS 29 6.257 -13.510 -5.291 229 H VAL 30 HN VAL 30 3.732 -6.771 -0.766 230 HA VAL 30 HA VAL 30 2.045 -8.518 0.896 231 HB VAL 30 HB VAL 30 3.854 -6.141 1.465 232 1HG1 VAL 30 HG11 VAL 30 2.424 -6.262 3.343 233 2HG1 VAL 30 HG12 VAL 30 3.818 -7.235 3.817 234 3HG1 VAL 30 HG13 VAL 30 2.336 -8.022 3.273 235 1HG2 VAL 30 HG21 VAL 30 5.187 -7.924 0.641 236 2HG2 VAL 30 HG22 VAL 30 4.226 -9.140 1.482 237 3HG2 VAL 30 HG23 VAL 30 5.293 -8.072 2.394 238 H PHE 31 HN PHE 31 2.219 -5.018 0.137 239 HA PHE 31 HA PHE 31 -0.082 -4.235 1.648 240 1HB PHE 31 HB2 PHE 31 1.510 -3.152 -0.660 241 2HB PHE 31 HB1 PHE 31 0.011 -2.344 -0.204 242 HD1 PHE 31 HD1 PHE 31 3.307 -1.894 0.136 243 HD2 PHE 31 HD2 PHE 31 -0.088 -2.531 2.691 244 HE1 PHE 31 HE1 PHE 31 4.484 -0.751 1.993 245 HE2 PHE 31 HE2 PHE 31 1.094 -1.387 4.546 246 HZ PHE 31 HZ PHE 31 3.381 -0.497 4.196 247 H LYS 32 HN LYS 32 0.277 -5.478 -1.661 248 HA LYS 32 HA LYS 32 -2.400 -4.953 -2.555 249 1HB LYS 32 HB2 LYS 32 -0.477 -5.575 -4.003 250 2HB LYS 32 HB1 LYS 32 -0.466 -7.186 -3.282 251 1HG LYS 32 HG2 LYS 32 -2.565 -7.746 -4.228 252 2HG LYS 32 HG1 LYS 32 -2.944 -6.062 -4.591 253 1HD LYS 32 HD2 LYS 32 -0.893 -6.104 -6.138 254 2HD LYS 32 HD1 LYS 32 -0.945 -7.859 -5.967 255 1HE LYS 32 HE2 LYS 32 -2.941 -8.052 -7.142 256 2HE LYS 32 HE1 LYS 32 -3.481 -6.423 -6.691 257 1HZ LYS 32 HZ1 LYS 32 -1.686 -5.505 -8.044 258 2HZ LYS 32 HZ2 LYS 32 -2.737 -6.451 -8.987 259 3HZ LYS 32 HZ3 LYS 32 -1.225 -7.067 -8.516 260 H GLN 33 HN GLN 33 -0.901 -7.827 -1.049 261 HA GLN 33 HA GLN 33 -3.250 -9.453 -0.931 262 1HB GLN 33 HB2 GLN 33 -0.760 -10.010 -0.561 263 2HB GLN 33 HB1 GLN 33 -1.004 -9.426 1.085 264 1HG GLN 33 HG2 GLN 33 -1.423 -11.729 1.286 265 2HG GLN 33 HG1 GLN 33 -3.042 -11.052 1.108 266 1HE2 GLN 33 HE21 GLN 33 -4.283 -11.814 -0.635 267 2HE2 GLN 33 HE22 GLN 33 -3.673 -12.767 -1.901 268 H TYR 34 HN TYR 34 -2.004 -6.925 1.111 269 HA TYR 34 HA TYR 34 -3.751 -7.312 3.382 270 1HB TYR 34 HB2 TYR 34 -1.794 -6.045 3.748 271 2HB TYR 34 HB1 TYR 34 -1.980 -5.143 2.249 272 HD1 TYR 34 HD1 TYR 34 -3.219 -5.523 5.719 273 HD2 TYR 34 HD2 TYR 34 -3.271 -3.121 2.164 274 HE1 TYR 34 HE1 TYR 34 -4.326 -3.689 6.975 275 HE2 TYR 34 HE2 TYR 34 -4.376 -1.286 3.411 276 HH TYR 34 HH TYR 34 -4.352 -0.777 6.326 277 H ALA 35 HN ALA 35 -3.850 -5.071 0.593 278 HA ALA 35 HA ALA 35 -6.438 -3.953 1.209 279 1HB ALA 35 HB1 ALA 35 -6.094 -3.608 -1.480 280 2HB ALA 35 HB2 ALA 35 -4.439 -3.962 -0.981 281 3HB ALA 35 HB3 ALA 35 -5.308 -2.603 -0.262 282 H ASN 36 HN ASN 36 -5.363 -6.670 -0.811 283 HA ASN 36 HA ASN 36 -7.773 -7.263 -2.155 284 1HB ASN 36 HB2 ASN 36 -5.511 -8.236 -2.569 285 2HB ASN 36 HB1 ASN 36 -5.672 -9.168 -1.080 286 1HD2 ASN 36 HD21 ASN 36 -6.371 -11.266 -1.472 287 2HD2 ASN 36 HD22 ASN 36 -7.408 -11.734 -2.732 288 H ASP 37 HN ASP 37 -6.587 -8.482 0.991 289 HA ASP 37 HA ASP 37 -8.786 -10.194 1.598 290 1HB ASP 37 HB2 ASP 37 -6.419 -9.727 2.697 291 2HB ASP 37 HB1 ASP 37 -7.346 -8.619 3.710 292 H ASN 38 HN ASN 38 -8.182 -6.870 2.805 293 HA ASN 38 HA ASN 38 -10.754 -6.534 4.029 294 1HB ASN 38 HB2 ASN 38 -8.570 -4.709 3.018 295 2HB ASN 38 HB1 ASN 38 -10.041 -4.049 3.737 296 1HD2 ASN 38 HD21 ASN 38 -6.988 -5.546 4.448 297 2HD2 ASN 38 HD22 ASN 38 -7.202 -5.668 6.128 298 H GLY 39 HN GLY 39 -9.518 -5.515 0.830 299 1HA GLY 39 HA2 GLY 39 -11.064 -5.774 -1.113 300 2HA GLY 39 HA1 GLY 39 -12.361 -5.216 -0.055 301 H ILE 40 HN ILE 40 -9.120 -4.082 -1.096 302 HA ILE 40 HA ILE 40 -10.299 -1.334 -1.346 303 HB ILE 40 HB ILE 40 -7.511 -2.289 -0.609 304 1HG1 ILE 40 HG12 ILE 40 -9.600 -0.753 0.969 305 2HG1 ILE 40 HG11 ILE 40 -9.286 -2.480 1.139 306 1HG2 ILE 40 HG21 ILE 40 -7.412 0.327 -0.059 307 2HG2 ILE 40 HG22 ILE 40 -8.583 0.399 -1.374 308 3HG2 ILE 40 HG23 ILE 40 -6.981 -0.286 -1.658 309 1HD1 ILE 40 HD11 ILE 40 -7.293 -2.151 2.236 310 2HD1 ILE 40 HD12 ILE 40 -8.089 -0.646 2.697 311 3HD1 ILE 40 HD13 ILE 40 -6.937 -0.661 1.361 312 H ASP 41 HN ASP 41 -10.789 -2.571 -3.579 313 HA ASP 41 HA ASP 41 -8.516 -2.643 -5.450 314 1HB ASP 41 HB2 ASP 41 -10.767 -4.045 -5.289 315 2HB ASP 41 HB1 ASP 41 -11.416 -2.705 -6.234 316 H GLY 42 HN GLY 42 -8.365 -0.171 -4.540 317 1HA GLY 42 HA2 GLY 42 -10.088 1.673 -6.060 318 2HA GLY 42 HA1 GLY 42 -8.864 2.125 -4.872 319 H GLU 43 HN GLU 43 -7.637 3.523 -6.043 320 HA GLU 43 HA GLU 43 -6.449 2.542 -8.575 321 1HB GLU 43 HB2 GLU 43 -7.178 5.289 -7.543 322 2HB GLU 43 HB1 GLU 43 -6.149 5.065 -8.958 323 1HG GLU 43 HG2 GLU 43 -8.916 3.862 -8.674 324 2HG GLU 43 HG1 GLU 43 -8.579 5.371 -9.524 325 H TRP 44 HN TRP 44 -4.491 1.703 -7.950 326 HA TRP 44 HA TRP 44 -3.016 2.716 -5.701 327 1HB TRP 44 HB2 TRP 44 -2.554 0.686 -7.866 328 2HB TRP 44 HB1 TRP 44 -1.308 1.052 -6.665 329 HD1 TRP 44 HD1 TRP 44 -5.049 0.083 -6.762 330 HE1 TRP 44 HE1 TRP 44 -5.559 -1.332 -4.665 331 HE3 TRP 44 HE3 TRP 44 -0.492 0.234 -4.462 332 HZ2 TRP 44 HZ2 TRP 44 -4.215 -2.254 -2.321 333 HZ3 TRP 44 HZ3 TRP 44 -0.135 -0.922 -2.299 334 HH2 TRP 44 HH2 TRP 44 -1.989 -2.171 -1.228 335 H THR 45 HN THR 45 -1.218 3.933 -5.632 336 HA THR 45 HA THR 45 0.145 4.832 -8.094 337 HB THR 45 HB THR 45 -0.136 7.236 -7.054 338 HG1 THR 45 HG1 THR 45 -1.851 7.481 -5.772 339 1HG2 THR 45 HG21 THR 45 -2.166 7.572 -8.410 340 2HG2 THR 45 HG22 THR 45 -2.422 5.828 -8.460 341 3HG2 THR 45 HG23 THR 45 -1.011 6.535 -9.248 342 H TYR 46 HN TYR 46 2.299 4.969 -7.624 343 HA TYR 46 HA TYR 46 3.097 4.747 -4.757 344 1HB TYR 46 HB2 TYR 46 3.798 2.899 -6.080 345 2HB TYR 46 HB1 TYR 46 4.237 3.925 -7.438 346 HD1 TYR 46 HD1 TYR 46 5.308 2.589 -4.179 347 HD2 TYR 46 HD2 TYR 46 6.345 5.181 -7.444 348 HE1 TYR 46 HE1 TYR 46 7.653 2.625 -3.402 349 HE2 TYR 46 HE2 TYR 46 8.696 5.223 -6.662 350 HH TYR 46 HH TYR 46 10.145 3.360 -5.121 351 H ASP 47 HN ASP 47 4.292 6.379 -3.836 352 HA ASP 47 HA ASP 47 5.064 8.703 -5.548 353 1HB ASP 47 HB2 ASP 47 3.528 8.643 -3.375 354 2HB ASP 47 HB1 ASP 47 5.086 8.694 -2.550 355 H ASP 48 HN ASP 48 7.183 8.577 -6.175 356 HA ASP 48 HA ASP 48 9.200 7.011 -4.825 357 1HB ASP 48 HB2 ASP 48 9.020 7.753 -7.275 358 2HB ASP 48 HB1 ASP 48 9.628 9.319 -6.735 359 H ALA 49 HN ALA 49 8.065 10.301 -4.437 360 HA ALA 49 HA ALA 49 10.282 11.615 -3.335 361 1HB ALA 49 HB1 ALA 49 7.962 12.485 -3.891 362 2HB ALA 49 HB2 ALA 49 8.631 13.087 -2.375 363 3HB ALA 49 HB3 ALA 49 7.422 11.804 -2.356 364 H THR 50 HN THR 50 7.961 9.442 -1.722 365 HA THR 50 HA THR 50 9.932 9.046 0.481 366 HB THR 50 HB THR 50 8.098 9.431 2.120 367 HG1 THR 50 HG1 THR 50 6.156 10.247 1.364 368 1HG2 THR 50 HG21 THR 50 8.061 11.839 1.939 369 2HG2 THR 50 HG22 THR 50 8.385 11.761 0.206 370 3HG2 THR 50 HG23 THR 50 9.631 11.281 1.360 371 H LYS 51 HN LYS 51 8.476 7.477 -1.849 372 HA LYS 51 HA LYS 51 7.613 5.300 -2.170 373 1HB LYS 51 HB2 LYS 51 9.564 5.335 0.026 374 2HB LYS 51 HB1 LYS 51 8.473 3.952 0.102 375 1HG LYS 51 HG2 LYS 51 10.204 3.173 -1.280 376 2HG LYS 51 HG1 LYS 51 8.986 3.709 -2.440 377 1HD LYS 51 HD2 LYS 51 10.209 5.554 -3.084 378 2HD LYS 51 HD1 LYS 51 10.977 5.727 -1.506 379 1HE LYS 51 HE2 LYS 51 12.647 4.194 -1.999 380 2HE LYS 51 HE1 LYS 51 11.622 3.289 -3.131 381 1HZ LYS 51 HZ1 LYS 51 11.684 5.148 -4.653 382 2HZ LYS 51 HZ2 LYS 51 13.271 4.656 -4.298 383 3HZ LYS 51 HZ3 LYS 51 12.628 6.051 -3.572 384 H THR 52 HN THR 52 5.342 5.748 -1.929 385 HA THR 52 HA THR 52 4.156 4.592 0.523 386 HB THR 52 HB THR 52 3.530 7.409 -0.412 387 HG1 THR 52 HG1 THR 52 4.703 8.039 1.396 388 1HG2 THR 52 HG21 THR 52 2.833 6.186 2.246 389 2HG2 THR 52 HG22 THR 52 1.802 5.907 0.843 390 3HG2 THR 52 HG23 THR 52 2.077 7.550 1.422 391 H PHE 53 HN PHE 53 3.053 3.019 -0.678 392 HA PHE 53 HA PHE 53 1.749 3.416 -3.202 393 1HB PHE 53 HB2 PHE 53 1.306 1.479 -0.904 394 2HB PHE 53 HB1 PHE 53 0.538 1.306 -2.482 395 HD1 PHE 53 HD1 PHE 53 1.842 0.735 -4.469 396 HD2 PHE 53 HD2 PHE 53 3.716 1.143 -0.626 397 HE1 PHE 53 HE1 PHE 53 3.875 -0.386 -5.341 398 HE2 PHE 53 HE2 PHE 53 5.748 0.022 -1.495 399 HZ PHE 53 HZ PHE 53 5.828 -0.743 -3.855 400 H THR 54 HN THR 54 -0.167 4.487 -3.641 401 HA THR 54 HA THR 54 -1.931 5.140 -1.288 402 HB THR 54 HB THR 54 -1.347 6.713 -3.812 403 HG1 THR 54 HG1 THR 54 0.182 7.619 -2.701 404 1HG2 THR 54 HG21 THR 54 -2.911 8.222 -3.168 405 2HG2 THR 54 HG22 THR 54 -2.482 8.072 -1.464 406 3HG2 THR 54 HG23 THR 54 -3.572 6.901 -2.205 407 H VAL 55 HN VAL 55 -3.597 3.575 -1.545 408 HA VAL 55 HA VAL 55 -4.921 3.405 -4.181 409 HB VAL 55 HB VAL 55 -4.215 1.296 -3.013 410 1HG1 VAL 55 HG11 VAL 55 -4.722 2.200 -0.691 411 2HG1 VAL 55 HG12 VAL 55 -5.309 0.564 -1.013 412 3HG1 VAL 55 HG13 VAL 55 -6.426 1.938 -1.070 413 1HG2 VAL 55 HG21 VAL 55 -6.242 0.098 -3.455 414 2HG2 VAL 55 HG22 VAL 55 -6.170 1.433 -4.605 415 3HG2 VAL 55 HG23 VAL 55 -7.217 1.542 -3.189 416 H THR 56 HN THR 56 -7.381 3.325 -4.052 417 HA THR 56 HA THR 56 -8.669 4.678 -1.793 418 HB THR 56 HB THR 56 -8.289 5.957 -4.516 419 HG1 THR 56 HG1 THR 56 -6.947 7.298 -3.492 420 1HG2 THR 56 HG21 THR 56 -10.329 6.859 -4.006 421 2HG2 THR 56 HG22 THR 56 -9.366 7.904 -2.962 422 3HG2 THR 56 HG23 THR 56 -10.175 6.488 -2.289 423 H GLU 57 HN GLU 57 -10.394 3.247 -1.694 424 HA GLU 57 HA GLU 57 -11.624 2.152 -4.138 425 1HB GLU 57 HB2 GLU 57 -11.203 1.275 -1.579 426 2HB GLU 57 HB1 GLU 57 -12.890 1.779 -1.487 427 1HG GLU 57 HG2 GLU 57 -12.071 0.178 -3.867 428 2HG GLU 57 HG1 GLU 57 -12.197 -0.668 -2.324 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -15.741 1.636 4.813 2 2H MET 1 HT2 MET 1 -17.057 0.949 3.985 3 3H MET 1 HT3 MET 1 -17.057 2.606 4.362 4 HA MET 1 HA MET 1 -16.537 2.256 2.010 5 1HB MET 1 HB2 MET 1 -14.493 3.313 3.969 6 2HB MET 1 HB1 MET 1 -14.287 3.512 2.229 7 1HG MET 1 HG2 MET 1 -16.799 4.377 2.386 8 2HG MET 1 HG1 MET 1 -16.325 4.728 4.048 9 1HE MET 1 HE1 MET 1 -12.961 6.095 3.578 10 2HE MET 1 HE2 MET 1 -14.222 5.463 4.634 11 3HE MET 1 HE3 MET 1 -14.112 7.198 4.346 12 H THR 2 HN THR 2 -14.074 2.011 0.911 13 HA THR 2 HA THR 2 -13.572 -0.888 1.032 14 HB THR 2 HB THR 2 -12.276 1.315 -0.603 15 HG1 THR 2 HG1 THR 2 -14.119 1.406 -1.565 16 1HG2 THR 2 HG21 THR 2 -10.989 -0.704 -0.727 17 2HG2 THR 2 HG22 THR 2 -11.954 -0.627 -2.204 18 3HG2 THR 2 HG23 THR 2 -12.443 -1.691 -0.885 19 H THR 3 HN THR 3 -12.153 -1.639 2.558 20 HA THR 3 HA THR 3 -10.042 0.100 3.617 21 HB THR 3 HB THR 3 -10.751 -2.733 4.383 22 HG1 THR 3 HG1 THR 3 -12.619 -1.898 4.846 23 1HG2 THR 3 HG21 THR 3 -8.689 -1.261 5.233 24 2HG2 THR 3 HG22 THR 3 -9.576 -2.329 6.322 25 3HG2 THR 3 HG23 THR 3 -9.929 -0.601 6.300 26 H PHE 4 HN PHE 4 -8.405 0.128 2.007 27 HA PHE 4 HA PHE 4 -7.468 -2.350 0.735 28 1HB PHE 4 HB2 PHE 4 -6.525 0.531 0.791 29 2HB PHE 4 HB1 PHE 4 -5.772 -0.714 -0.202 30 HD1 PHE 4 HD1 PHE 4 -8.542 1.585 0.149 31 HD2 PHE 4 HD2 PHE 4 -7.167 -1.896 -1.958 32 HE1 PHE 4 HE1 PHE 4 -10.263 1.963 -1.594 33 HE2 PHE 4 HE2 PHE 4 -8.890 -1.520 -3.702 34 HZ PHE 4 HZ PHE 4 -10.437 0.410 -3.521 35 H LYS 5 HN LYS 5 -5.000 -2.792 0.868 36 HA LYS 5 HA LYS 5 -3.841 -2.158 3.545 37 1HB LYS 5 HB2 LYS 5 -4.783 -4.773 2.475 38 2HB LYS 5 HB1 LYS 5 -3.261 -4.790 3.364 39 1HG LYS 5 HG2 LYS 5 -4.255 -4.225 5.355 40 2HG LYS 5 HG1 LYS 5 -5.499 -3.246 4.576 41 1HD LYS 5 HD2 LYS 5 -6.269 -5.613 3.630 42 2HD LYS 5 HD1 LYS 5 -5.445 -6.194 5.078 43 1HE LYS 5 HE2 LYS 5 -6.854 -4.161 6.174 44 2HE LYS 5 HE1 LYS 5 -7.946 -4.599 4.845 45 1HZ LYS 5 HZ1 LYS 5 -7.788 -6.914 5.515 46 2HZ LYS 5 HZ2 LYS 5 -8.359 -5.969 6.807 47 3HZ LYS 5 HZ3 LYS 5 -6.746 -6.503 6.789 48 H LEU 6 HN LEU 6 -1.774 -1.464 3.173 49 HA LEU 6 HA LEU 6 -0.394 -2.287 0.665 50 1HB LEU 6 HB2 LEU 6 -0.602 0.104 1.127 51 2HB LEU 6 HB1 LEU 6 0.104 -0.114 2.727 52 HG LEU 6 HG LEU 6 2.197 -0.970 1.602 53 1HD1 LEU 6 HD11 LEU 6 1.338 -1.657 -0.535 54 2HD1 LEU 6 HD12 LEU 6 2.425 -0.301 -0.835 55 3HD1 LEU 6 HD13 LEU 6 0.678 -0.053 -0.850 56 1HD2 LEU 6 HD21 LEU 6 2.558 1.481 0.477 57 2HD2 LEU 6 HD22 LEU 6 2.615 1.191 2.216 58 3HD2 LEU 6 HD23 LEU 6 1.134 1.796 1.470 59 H ILE 7 HN ILE 7 1.148 -3.880 0.803 60 HA ILE 7 HA ILE 7 2.053 -4.884 3.395 61 HB ILE 7 HB ILE 7 1.607 -6.063 1.058 62 1HG1 ILE 7 HG12 ILE 7 3.369 -7.804 1.712 63 2HG1 ILE 7 HG11 ILE 7 3.810 -6.704 3.018 64 1HG2 ILE 7 HG21 ILE 7 3.591 -4.549 0.115 65 2HG2 ILE 7 HG22 ILE 7 3.324 -6.189 -0.476 66 3HG2 ILE 7 HG23 ILE 7 4.570 -5.879 0.732 67 1HD1 ILE 7 HD11 ILE 7 1.812 -7.007 4.136 68 2HD1 ILE 7 HD12 ILE 7 1.950 -8.586 3.361 69 3HD1 ILE 7 HD13 ILE 7 0.915 -7.344 2.655 70 H ILE 8 HN ILE 8 4.510 -5.030 3.826 71 HA ILE 8 HA ILE 8 5.898 -2.585 2.781 72 HB ILE 8 HB ILE 8 5.869 -3.704 5.602 73 1HG1 ILE 8 HG12 ILE 8 4.689 -1.120 4.539 74 2HG1 ILE 8 HG11 ILE 8 3.745 -2.582 4.829 75 1HG2 ILE 8 HG21 ILE 8 7.067 -1.130 4.537 76 2HG2 ILE 8 HG22 ILE 8 8.000 -2.578 4.915 77 3HG2 ILE 8 HG23 ILE 8 7.147 -1.720 6.197 78 1HD1 ILE 8 HD11 ILE 8 5.224 -0.893 6.852 79 2HD1 ILE 8 HD12 ILE 8 4.684 -2.532 7.214 80 3HD1 ILE 8 HD13 ILE 8 3.505 -1.283 6.811 81 H ASN 9 HN ASN 9 6.808 -4.338 1.274 82 HA ASN 9 HA ASN 9 8.822 -6.104 2.576 83 1HB ASN 9 HB2 ASN 9 7.218 -6.048 0.131 84 2HB ASN 9 HB1 ASN 9 8.912 -6.384 -0.218 85 1HD2 ASN 9 HD21 ASN 9 6.363 -8.174 -0.086 86 2HD2 ASN 9 HD22 ASN 9 6.854 -9.481 0.879 87 H GLY 10 HN GLY 10 9.409 -3.436 2.891 88 1HA GLY 10 HA2 GLY 10 11.494 -2.852 0.832 89 2HA GLY 10 HA1 GLY 10 10.716 -1.627 1.839 90 H LYS 11 HN LYS 11 13.585 -2.213 1.577 91 HA LYS 11 HA LYS 11 14.515 -3.581 3.957 92 1HB LYS 11 HB2 LYS 11 15.724 -1.608 2.003 93 2HB LYS 11 HB1 LYS 11 16.653 -2.358 3.301 94 1HG LYS 11 HG2 LYS 11 16.004 -4.602 2.421 95 2HG LYS 11 HG1 LYS 11 15.194 -3.804 1.071 96 1HD LYS 11 HD2 LYS 11 17.315 -4.299 0.185 97 2HD LYS 11 HD1 LYS 11 17.487 -2.621 0.700 98 1HE LYS 11 HE2 LYS 11 18.609 -3.287 2.742 99 2HE LYS 11 HE1 LYS 11 18.280 -5.000 2.414 100 1HZ LYS 11 HZ1 LYS 11 19.831 -3.190 0.638 101 2HZ LYS 11 HZ2 LYS 11 19.540 -4.842 0.376 102 3HZ LYS 11 HZ3 LYS 11 20.513 -4.344 1.676 103 H THR 12 HN THR 12 12.998 -0.535 3.522 104 HA THR 12 HA THR 12 14.400 0.808 5.744 105 HB THR 12 HB THR 12 11.910 1.656 4.247 106 HG1 THR 12 HG1 THR 12 13.310 2.545 2.728 107 1HG2 THR 12 HG21 THR 12 12.547 3.013 6.190 108 2HG2 THR 12 HG22 THR 12 12.824 3.912 4.698 109 3HG2 THR 12 HG23 THR 12 14.183 3.179 5.551 110 H LEU 13 HN LEU 13 11.259 -0.744 5.079 111 HA LEU 13 HA LEU 13 10.767 -0.838 8.026 112 1HB LEU 13 HB2 LEU 13 9.641 1.068 6.384 113 2HB LEU 13 HB1 LEU 13 8.406 -0.189 6.380 114 HG LEU 13 HG LEU 13 9.073 -0.111 9.039 115 1HD1 LEU 13 HD11 LEU 13 9.439 2.645 7.854 116 2HD1 LEU 13 HD12 LEU 13 10.513 1.779 8.952 117 3HD1 LEU 13 HD13 LEU 13 8.973 2.409 9.539 118 1HD2 LEU 13 HD21 LEU 13 6.805 -0.067 8.674 119 2HD2 LEU 13 HD22 LEU 13 6.937 1.075 7.337 120 3HD2 LEU 13 HD23 LEU 13 7.025 1.652 9.001 121 H LYS 14 HN LYS 14 8.698 -2.251 8.404 122 HA LYS 14 HA LYS 14 8.175 -4.271 6.316 123 1HB LYS 14 HB2 LYS 14 10.357 -4.782 7.593 124 2HB LYS 14 HB1 LYS 14 9.320 -5.122 8.979 125 1HG LYS 14 HG2 LYS 14 8.212 -6.902 7.844 126 2HG LYS 14 HG1 LYS 14 8.881 -6.419 6.285 127 1HD LYS 14 HD2 LYS 14 11.189 -6.874 7.308 128 2HD LYS 14 HD1 LYS 14 10.327 -7.682 8.619 129 1HE LYS 14 HE2 LYS 14 9.530 -9.389 7.218 130 2HE LYS 14 HE1 LYS 14 9.730 -8.409 5.752 131 1HZ LYS 14 HZ1 LYS 14 12.097 -8.484 6.009 132 2HZ LYS 14 HZ2 LYS 14 11.514 -10.079 6.053 133 3HZ LYS 14 HZ3 LYS 14 11.969 -9.298 7.491 134 H GLY 15 HN GLY 15 6.197 -5.341 6.687 135 1HA GLY 15 HA2 GLY 15 4.668 -6.119 8.632 136 2HA GLY 15 HA1 GLY 15 4.671 -4.412 9.078 137 H GLU 16 HN GLU 16 2.836 -3.423 8.424 138 HA GLU 16 HA GLU 16 1.939 -3.579 5.641 139 1HB GLU 16 HB2 GLU 16 1.128 -5.620 7.221 140 2HB GLU 16 HB1 GLU 16 -0.140 -4.450 7.587 141 1HG GLU 16 HG2 GLU 16 -0.581 -4.181 5.165 142 2HG GLU 16 HG1 GLU 16 0.663 -5.381 4.814 143 H THR 17 HN THR 17 -0.053 -2.175 5.348 144 HA THR 17 HA THR 17 -0.393 -0.170 7.547 145 HB THR 17 HB THR 17 -0.119 0.506 4.609 146 HG1 THR 17 HG1 THR 17 1.834 -0.304 5.101 147 1HG2 THR 17 HG21 THR 17 0.584 2.319 6.877 148 2HG2 THR 17 HG22 THR 17 -1.124 2.031 6.544 149 3HG2 THR 17 HG23 THR 17 -0.084 2.711 5.292 150 H THR 18 HN THR 18 -2.480 0.781 7.611 151 HA THR 18 HA THR 18 -4.482 -0.181 5.605 152 HB THR 18 HB THR 18 -5.978 -0.670 7.556 153 HG1 THR 18 HG1 THR 18 -5.077 0.616 9.112 154 1HG2 THR 18 HG21 THR 18 -4.156 -2.279 6.457 155 2HG2 THR 18 HG22 THR 18 -5.123 -2.793 7.840 156 3HG2 THR 18 HG23 THR 18 -3.476 -2.211 8.083 157 H THR 19 HN THR 19 -6.179 1.299 5.240 158 HA THR 19 HA THR 19 -6.571 3.655 6.935 159 HB THR 19 HB THR 19 -4.509 4.237 5.728 160 HG1 THR 19 HG1 THR 19 -6.715 5.572 4.559 161 1HG2 THR 19 HG21 THR 19 -4.148 3.701 3.567 162 2HG2 THR 19 HG22 THR 19 -5.676 4.422 3.063 163 3HG2 THR 19 HG23 THR 19 -5.636 2.757 3.643 164 H GLU 20 HN GLU 20 -8.664 4.349 6.655 165 HA GLU 20 HA GLU 20 -10.510 2.957 4.966 166 1HB GLU 20 HB2 GLU 20 -10.564 5.576 6.483 167 2HB GLU 20 HB1 GLU 20 -11.985 4.944 5.651 168 1HG GLU 20 HG2 GLU 20 -10.495 3.112 7.489 169 2HG GLU 20 HG1 GLU 20 -11.524 4.354 8.204 170 H ALA 21 HN ALA 21 -10.421 3.089 2.744 171 HA ALA 21 HA ALA 21 -10.158 5.816 1.520 172 1HB ALA 21 HB1 ALA 21 -9.179 3.473 -0.002 173 2HB ALA 21 HB2 ALA 21 -8.272 3.834 1.466 174 3HB ALA 21 HB3 ALA 21 -8.442 5.061 0.211 175 H VAL 22 HN VAL 22 -11.682 6.253 -0.059 176 HA VAL 22 HA VAL 22 -14.036 4.672 -0.331 177 HB VAL 22 HB VAL 22 -13.872 7.093 -0.767 178 1HG1 VAL 22 HG11 VAL 22 -12.529 8.039 -2.382 179 2HG1 VAL 22 HG12 VAL 22 -12.609 6.624 -3.429 180 3HG1 VAL 22 HG13 VAL 22 -11.554 6.616 -2.016 181 1HG2 VAL 22 HG21 VAL 22 -14.748 5.345 -3.075 182 2HG2 VAL 22 HG22 VAL 22 -15.017 7.088 -3.063 183 3HG2 VAL 22 HG23 VAL 22 -15.752 6.074 -1.821 184 H ASP 23 HN ASP 23 -11.029 4.705 -2.199 185 HA ASP 23 HA ASP 23 -11.538 2.075 -3.313 186 1HB ASP 23 HB2 ASP 23 -11.777 2.849 -5.672 187 2HB ASP 23 HB1 ASP 23 -13.109 3.397 -4.658 188 H ALA 24 HN ALA 24 -9.806 1.641 -5.114 189 HA ALA 24 HA ALA 24 -7.213 2.022 -4.119 190 1HB ALA 24 HB1 ALA 24 -8.227 1.554 -6.936 191 2HB ALA 24 HB2 ALA 24 -7.804 0.321 -5.749 192 3HB ALA 24 HB3 ALA 24 -6.546 1.339 -6.449 193 H ALA 25 HN ALA 25 -9.149 4.181 -6.081 194 HA ALA 25 HA ALA 25 -7.080 5.816 -7.198 195 1HB ALA 25 HB1 ALA 25 -9.037 7.520 -7.164 196 2HB ALA 25 HB2 ALA 25 -9.976 6.216 -6.440 197 3HB ALA 25 HB3 ALA 25 -9.287 6.015 -8.050 198 H THR 26 HN THR 26 -8.791 5.953 -4.077 199 HA THR 26 HA THR 26 -7.230 8.336 -3.244 200 HB THR 26 HB THR 26 -9.316 6.699 -1.770 201 HG1 THR 26 HG1 THR 26 -9.569 8.948 -3.477 202 1HG2 THR 26 HG21 THR 26 -9.664 8.998 -0.682 203 2HG2 THR 26 HG22 THR 26 -8.117 9.444 -1.402 204 3HG2 THR 26 HG23 THR 26 -8.199 8.124 -0.236 205 H ALA 27 HN ALA 27 -7.387 4.868 -2.695 206 HA ALA 27 HA ALA 27 -5.865 4.739 -0.257 207 1HB ALA 27 HB1 ALA 27 -6.862 2.968 -2.389 208 2HB ALA 27 HB2 ALA 27 -6.817 2.707 -0.645 209 3HB ALA 27 HB3 ALA 27 -5.384 2.390 -1.621 210 H GLU 28 HN GLU 28 -4.858 4.227 -3.660 211 HA GLU 28 HA GLU 28 -2.074 3.857 -3.223 212 1HB GLU 28 HB2 GLU 28 -3.558 3.608 -5.324 213 2HB GLU 28 HB1 GLU 28 -3.292 5.337 -5.564 214 1HG GLU 28 HG2 GLU 28 -0.756 4.678 -5.218 215 2HG GLU 28 HG1 GLU 28 -1.323 3.080 -5.705 216 H LYS 29 HN LYS 29 -3.943 6.875 -3.569 217 HA LYS 29 HA LYS 29 -1.751 8.702 -3.730 218 1HB LYS 29 HB2 LYS 29 -4.573 8.857 -2.649 219 2HB LYS 29 HB1 LYS 29 -3.516 10.268 -2.714 220 1HG LYS 29 HG2 LYS 29 -3.159 9.658 -5.195 221 2HG LYS 29 HG1 LYS 29 -4.569 8.616 -5.007 222 1HD LYS 29 HD2 LYS 29 -5.915 10.533 -4.270 223 2HD LYS 29 HD1 LYS 29 -4.506 11.586 -4.398 224 1HE LYS 29 HE2 LYS 29 -4.626 11.685 -6.691 225 2HE LYS 29 HE1 LYS 29 -5.183 10.005 -6.831 226 1HZ LYS 29 HZ1 LYS 29 -6.997 11.508 -7.320 227 2HZ LYS 29 HZ2 LYS 29 -6.781 12.306 -5.835 228 3HZ LYS 29 HZ3 LYS 29 -7.311 10.692 -5.867 229 H VAL 30 HN VAL 30 -3.293 7.107 -0.982 230 HA VAL 30 HA VAL 30 -1.717 8.627 1.001 231 HB VAL 30 HB VAL 30 -3.632 6.272 1.199 232 1HG1 VAL 30 HG11 VAL 30 -3.771 7.397 3.614 233 2HG1 VAL 30 HG12 VAL 30 -2.123 7.882 3.218 234 3HG1 VAL 30 HG13 VAL 30 -2.557 6.173 3.245 235 1HG2 VAL 30 HG21 VAL 30 -5.281 7.953 1.868 236 2HG2 VAL 30 HG22 VAL 30 -4.619 8.377 0.289 237 3HG2 VAL 30 HG23 VAL 30 -4.070 9.228 1.732 238 H PHE 31 HN PHE 31 -1.933 5.280 -0.239 239 HA PHE 31 HA PHE 31 0.188 4.199 1.383 240 1HB PHE 31 HB2 PHE 31 -1.003 3.419 -1.298 241 2HB PHE 31 HB1 PHE 31 0.120 2.403 -0.397 242 HD1 PHE 31 HD1 PHE 31 -0.659 2.596 2.356 243 HD2 PHE 31 HD2 PHE 31 -3.156 2.555 -1.139 244 HE1 PHE 31 HE1 PHE 31 -2.543 1.722 3.711 245 HE2 PHE 31 HE2 PHE 31 -5.037 1.685 0.216 246 HZ PHE 31 HZ PHE 31 -4.733 1.265 2.642 247 H LYS 32 HN LYS 32 0.108 5.679 -1.852 248 HA LYS 32 HA LYS 32 2.825 5.166 -2.581 249 1HB LYS 32 HB2 LYS 32 0.975 5.942 -4.077 250 2HB LYS 32 HB1 LYS 32 1.028 7.515 -3.283 251 1HG LYS 32 HG2 LYS 32 2.537 8.080 -4.878 252 2HG LYS 32 HG1 LYS 32 3.680 7.106 -3.953 253 1HD LYS 32 HD2 LYS 32 3.442 5.251 -5.364 254 2HD LYS 32 HD1 LYS 32 1.876 5.792 -5.970 255 1HE LYS 32 HE2 LYS 32 4.284 7.513 -6.488 256 2HE LYS 32 HE1 LYS 32 4.021 6.073 -7.490 257 1HZ LYS 32 HZ1 LYS 32 2.864 8.063 -8.353 258 2HZ LYS 32 HZ2 LYS 32 1.950 8.128 -6.922 259 3HZ LYS 32 HZ3 LYS 32 1.800 6.799 -7.970 260 H GLN 33 HN GLN 33 1.319 8.067 -1.107 261 HA GLN 33 HA GLN 33 3.725 9.550 -0.699 262 1HB GLN 33 HB2 GLN 33 1.332 10.350 -0.581 263 2HB GLN 33 HB1 GLN 33 1.203 9.543 0.982 264 1HG GLN 33 HG2 GLN 33 1.858 11.596 1.762 265 2HG GLN 33 HG1 GLN 33 3.465 10.963 1.400 266 1HE2 GLN 33 HE21 GLN 33 4.480 11.663 -0.656 267 2HE2 GLN 33 HE22 GLN 33 3.951 13.074 -1.436 268 H TYR 34 HN TYR 34 2.177 7.023 1.128 269 HA TYR 34 HA TYR 34 3.705 7.274 3.571 270 1HB TYR 34 HB2 TYR 34 1.650 6.091 3.662 271 2HB TYR 34 HB1 TYR 34 2.010 5.171 2.205 272 HD1 TYR 34 HD1 TYR 34 3.321 3.152 2.291 273 HD2 TYR 34 HD2 TYR 34 2.736 5.526 5.816 274 HE1 TYR 34 HE1 TYR 34 4.215 1.302 3.674 275 HE2 TYR 34 HE2 TYR 34 3.632 3.676 7.211 276 HH TYR 34 HH TYR 34 5.384 1.171 6.031 277 H ALA 35 HN ALA 35 4.022 5.215 0.669 278 HA ALA 35 HA ALA 35 6.486 3.941 1.528 279 1HB ALA 35 HB1 ALA 35 4.784 4.136 -0.930 280 2HB ALA 35 HB2 ALA 35 5.297 2.700 -0.037 281 3HB ALA 35 HB3 ALA 35 6.429 3.523 -1.112 282 H ASN 36 HN ASN 36 5.693 6.704 -0.567 283 HA ASN 36 HA ASN 36 8.257 7.234 -1.631 284 1HB ASN 36 HB2 ASN 36 5.808 8.851 -0.976 285 2HB ASN 36 HB1 ASN 36 7.243 9.653 -1.614 286 1HD2 ASN 36 HD21 ASN 36 6.174 10.120 -3.673 287 2HD2 ASN 36 HD22 ASN 36 5.864 8.889 -4.801 288 H ASP 37 HN ASP 37 6.724 8.566 1.315 289 HA ASP 37 HA ASP 37 8.928 10.166 2.181 290 1HB ASP 37 HB2 ASP 37 6.555 8.837 3.483 291 2HB ASP 37 HB1 ASP 37 7.723 9.725 4.463 292 H ASN 38 HN ASN 38 7.926 6.923 3.347 293 HA ASN 38 HA ASN 38 10.216 6.433 4.981 294 1HB ASN 38 HB2 ASN 38 8.203 4.703 3.533 295 2HB ASN 38 HB1 ASN 38 9.460 3.997 4.549 296 1HD2 ASN 38 HD21 ASN 38 6.290 4.871 4.704 297 2HD2 ASN 38 HD22 ASN 38 6.180 5.305 6.342 298 H GLY 39 HN GLY 39 9.530 5.425 1.615 299 1HA GLY 39 HA2 GLY 39 11.469 5.688 0.012 300 2HA GLY 39 HA1 GLY 39 12.464 4.949 1.267 301 H ILE 40 HN ILE 40 9.241 4.091 -0.041 302 HA ILE 40 HA ILE 40 10.333 1.349 -0.579 303 HB ILE 40 HB ILE 40 7.570 2.291 0.260 304 1HG1 ILE 40 HG12 ILE 40 9.643 0.598 1.691 305 2HG1 ILE 40 HG11 ILE 40 9.345 2.304 2.016 306 1HG2 ILE 40 HG21 ILE 40 8.633 -0.402 -0.592 307 2HG2 ILE 40 HG22 ILE 40 7.128 0.387 -1.076 308 3HG2 ILE 40 HG23 ILE 40 7.292 -0.291 0.546 309 1HD1 ILE 40 HD11 ILE 40 8.138 0.356 3.412 310 2HD1 ILE 40 HD12 ILE 40 6.985 0.484 2.083 311 3HD1 ILE 40 HD13 ILE 40 7.344 1.895 3.076 312 H ASP 41 HN ASP 41 10.909 2.368 -2.744 313 HA ASP 41 HA ASP 41 8.577 2.769 -4.561 314 1HB ASP 41 HB2 ASP 41 11.577 3.172 -4.842 315 2HB ASP 41 HB1 ASP 41 10.403 3.546 -6.105 316 H GLY 42 HN GLY 42 9.068 0.145 -3.525 317 1HA GLY 42 HA2 GLY 42 10.644 -1.504 -5.240 318 2HA GLY 42 HA1 GLY 42 9.325 -2.059 -4.208 319 H GLU 43 HN GLU 43 8.206 -3.353 -5.575 320 HA GLU 43 HA GLU 43 7.281 -2.209 -8.147 321 1HB GLU 43 HB2 GLU 43 7.822 -5.020 -7.174 322 2HB GLU 43 HB1 GLU 43 6.927 -4.707 -8.661 323 1HG GLU 43 HG2 GLU 43 8.814 -3.502 -9.607 324 2HG GLU 43 HG1 GLU 43 9.704 -3.634 -8.089 325 H TRP 44 HN TRP 44 5.238 -1.434 -7.856 326 HA TRP 44 HA TRP 44 3.544 -2.420 -5.733 327 1HB TRP 44 HB2 TRP 44 3.405 -0.309 -7.854 328 2HB TRP 44 HB1 TRP 44 1.986 -0.687 -6.868 329 HD1 TRP 44 HD1 TRP 44 5.718 0.187 -6.372 330 HE1 TRP 44 HE1 TRP 44 5.939 1.497 -4.158 331 HE3 TRP 44 HE3 TRP 44 0.873 0.041 -4.771 332 HZ2 TRP 44 HZ2 TRP 44 4.279 2.341 -1.994 333 HZ3 TRP 44 HZ3 TRP 44 0.220 1.106 -2.632 334 HH2 TRP 44 HH2 TRP 44 1.918 2.263 -1.243 335 H THR 45 HN THR 45 1.706 -3.566 -5.871 336 HA THR 45 HA THR 45 0.544 -4.355 -8.463 337 HB THR 45 HB THR 45 0.716 -6.803 -7.561 338 HG1 THR 45 HG1 THR 45 2.439 -7.141 -6.204 339 1HG2 THR 45 HG21 THR 45 2.035 -5.506 -9.474 340 2HG2 THR 45 HG22 THR 45 2.491 -7.142 -8.999 341 3HG2 THR 45 HG23 THR 45 3.393 -5.759 -8.378 342 H TYR 46 HN TYR 46 -1.636 -4.441 -8.164 343 HA TYR 46 HA TYR 46 -2.672 -4.276 -5.378 344 1HB TYR 46 HB2 TYR 46 -3.280 -2.468 -6.827 345 2HB TYR 46 HB1 TYR 46 -3.658 -3.557 -8.154 346 HD1 TYR 46 HD1 TYR 46 -5.849 -4.316 -8.489 347 HD2 TYR 46 HD2 TYR 46 -4.776 -2.596 -4.702 348 HE1 TYR 46 HE1 TYR 46 -8.230 -4.330 -7.807 349 HE2 TYR 46 HE2 TYR 46 -7.152 -2.609 -4.020 350 HH TYR 46 HH TYR 46 -9.566 -4.297 -5.806 351 H ASP 47 HN ASP 47 -3.117 -6.314 -4.599 352 HA ASP 47 HA ASP 47 -3.961 -8.528 -6.312 353 1HB ASP 47 HB2 ASP 47 -2.661 -8.287 -3.946 354 2HB ASP 47 HB1 ASP 47 -4.292 -8.609 -3.356 355 H ASP 48 HN ASP 48 -5.992 -8.107 -7.217 356 HA ASP 48 HA ASP 48 -8.194 -6.834 -5.912 357 1HB ASP 48 HB2 ASP 48 -9.475 -7.854 -7.789 358 2HB ASP 48 HB1 ASP 48 -7.963 -7.135 -8.342 359 H ALA 49 HN ALA 49 -6.984 -10.117 -5.750 360 HA ALA 49 HA ALA 49 -9.225 -11.596 -4.962 361 1HB ALA 49 HB1 ALA 49 -6.292 -11.663 -4.556 362 2HB ALA 49 HB2 ALA 49 -7.370 -12.919 -5.165 363 3HB ALA 49 HB3 ALA 49 -7.234 -12.640 -3.429 364 H THR 50 HN THR 50 -7.277 -9.347 -3.031 365 HA THR 50 HA THR 50 -9.384 -9.391 -0.927 366 HB THR 50 HB THR 50 -7.607 -9.709 0.794 367 HG1 THR 50 HG1 THR 50 -5.958 -10.282 -1.436 368 1HG2 THR 50 HG21 THR 50 -7.503 -11.902 -1.287 369 2HG2 THR 50 HG22 THR 50 -8.900 -11.630 -0.245 370 3HG2 THR 50 HG23 THR 50 -7.344 -12.070 0.461 371 H LYS 51 HN LYS 51 -7.971 -7.475 -3.017 372 HA LYS 51 HA LYS 51 -7.338 -5.203 -3.102 373 1HB LYS 51 HB2 LYS 51 -9.543 -5.648 -1.301 374 2HB LYS 51 HB1 LYS 51 -8.574 -4.311 -0.687 375 1HG LYS 51 HG2 LYS 51 -9.775 -3.062 -2.162 376 2HG LYS 51 HG1 LYS 51 -8.645 -3.711 -3.351 377 1HD LYS 51 HD2 LYS 51 -10.881 -4.086 -4.194 378 2HD LYS 51 HD1 LYS 51 -10.238 -5.647 -3.680 379 1HE LYS 51 HE2 LYS 51 -11.547 -5.655 -1.690 380 2HE LYS 51 HE1 LYS 51 -11.914 -3.924 -1.834 381 1HZ LYS 51 HZ1 LYS 51 -13.060 -4.377 -3.916 382 2HZ LYS 51 HZ2 LYS 51 -13.759 -5.267 -2.649 383 3HZ LYS 51 HZ3 LYS 51 -12.731 -6.033 -3.763 384 H THR 52 HN THR 52 -5.047 -5.597 -2.650 385 HA THR 52 HA THR 52 -4.182 -4.361 -0.105 386 HB THR 52 HB THR 52 -3.375 -7.166 -0.939 387 HG1 THR 52 HG1 THR 52 -5.149 -7.651 0.050 388 1HG2 THR 52 HG21 THR 52 -2.108 -7.242 1.084 389 2HG2 THR 52 HG22 THR 52 -2.809 -5.729 1.659 390 3HG2 THR 52 HG23 THR 52 -1.682 -5.720 0.302 391 H PHE 53 HN PHE 53 -2.897 -2.784 -1.032 392 HA PHE 53 HA PHE 53 -1.429 -3.004 -3.484 393 1HB PHE 53 HB2 PHE 53 -1.148 -1.287 -0.997 394 2HB PHE 53 HB1 PHE 53 -0.194 -1.014 -2.455 395 HD1 PHE 53 HD1 PHE 53 -1.221 -0.185 -4.502 396 HD2 PHE 53 HD2 PHE 53 -3.578 -0.919 -0.987 397 HE1 PHE 53 HE1 PHE 53 -3.104 1.084 -5.499 398 HE2 PHE 53 HE2 PHE 53 -5.461 0.350 -1.981 399 HZ PHE 53 HZ PHE 53 -5.222 1.354 -4.240 400 H THR 54 HN THR 54 0.435 -4.190 -3.872 401 HA THR 54 HA THR 54 2.012 -5.052 -1.458 402 HB THR 54 HB THR 54 1.616 -6.419 -4.131 403 HG1 THR 54 HG1 THR 54 0.221 -7.743 -2.938 404 1HG2 THR 54 HG21 THR 54 3.709 -6.854 -2.587 405 2HG2 THR 54 HG22 THR 54 2.835 -8.213 -3.292 406 3HG2 THR 54 HG23 THR 54 2.546 -7.754 -1.614 407 H VAL 55 HN VAL 55 3.681 -3.432 -1.512 408 HA VAL 55 HA VAL 55 5.278 -3.238 -3.991 409 HB VAL 55 HB VAL 55 4.517 -1.135 -2.843 410 1HG1 VAL 55 HG11 VAL 55 5.385 -0.492 -0.722 411 2HG1 VAL 55 HG12 VAL 55 6.499 -1.868 -0.704 412 3HG1 VAL 55 HG13 VAL 55 4.766 -2.134 -0.511 413 1HG2 VAL 55 HG21 VAL 55 6.626 -1.300 -4.224 414 2HG2 VAL 55 HG22 VAL 55 7.511 -1.472 -2.708 415 3HG2 VAL 55 HG23 VAL 55 6.612 0.007 -3.040 416 H THR 56 HN THR 56 7.717 -3.238 -3.602 417 HA THR 56 HA THR 56 8.715 -4.692 -1.255 418 HB THR 56 HB THR 56 8.589 -5.880 -4.042 419 HG1 THR 56 HG1 THR 56 6.744 -6.467 -3.220 420 1HG2 THR 56 HG21 THR 56 10.507 -6.920 -3.388 421 2HG2 THR 56 HG22 THR 56 9.433 -7.889 -2.379 422 3HG2 THR 56 HG23 THR 56 10.268 -6.495 -1.693 423 H GLU 57 HN GLU 57 10.468 -3.324 -0.927 424 HA GLU 57 HA GLU 57 12.018 -2.304 -3.240 425 1HB GLU 57 HB2 GLU 57 11.239 -1.331 -0.747 426 2HB GLU 57 HB1 GLU 57 12.952 -1.686 -0.525 427 1HG GLU 57 HG2 GLU 57 11.818 -0.040 -2.807 428 2HG GLU 57 HG1 GLU 57 12.552 0.635 -1.353 Start of MODEL 7 1 1H MET 1 HT1 MET 1 17.464 -1.906 5.368 2 2H MET 1 HT2 MET 1 16.551 -0.473 5.345 3 3H MET 1 HT3 MET 1 17.484 -0.911 3.994 4 HA MET 1 HA MET 1 16.072 -2.805 3.556 5 1HB MET 1 HB2 MET 1 14.996 -1.891 6.223 6 2HB MET 1 HB1 MET 1 14.021 -2.903 5.156 7 1HG MET 1 HG2 MET 1 16.066 -4.460 5.045 8 2HG MET 1 HG1 MET 1 16.682 -3.554 6.428 9 1HE MET 1 HE1 MET 1 14.553 -7.190 6.625 10 2HE MET 1 HE2 MET 1 15.567 -6.416 5.410 11 3HE MET 1 HE3 MET 1 13.815 -6.258 5.315 12 H THR 2 HN THR 2 13.776 -2.578 2.682 13 HA THR 2 HA THR 2 13.287 0.263 1.888 14 HB THR 2 HB THR 2 12.332 -2.361 0.698 15 HG1 THR 2 HG1 THR 2 14.450 -2.358 0.335 16 1HG2 THR 2 HG21 THR 2 10.953 -0.365 0.154 17 2HG2 THR 2 HG22 THR 2 11.792 -1.009 -1.260 18 3HG2 THR 2 HG23 THR 2 12.402 0.438 -0.457 19 H THR 3 HN THR 3 11.720 1.186 3.168 20 HA THR 3 HA THR 3 9.504 -0.482 4.179 21 HB THR 3 HB THR 3 10.453 2.290 4.939 22 HG1 THR 3 HG1 THR 3 12.005 0.802 5.469 23 1HG2 THR 3 HG21 THR 3 8.261 0.501 5.869 24 2HG2 THR 3 HG22 THR 3 8.330 2.262 5.818 25 3HG2 THR 3 HG23 THR 3 9.156 1.384 7.105 26 H PHE 4 HN PHE 4 8.010 -0.483 2.449 27 HA PHE 4 HA PHE 4 7.352 1.952 0.964 28 1HB PHE 4 HB2 PHE 4 6.182 -0.836 1.166 29 2HB PHE 4 HB1 PHE 4 5.559 0.384 0.060 30 HD1 PHE 4 HD1 PHE 4 8.176 -2.036 0.710 31 HD2 PHE 4 HD2 PHE 4 7.077 1.335 -1.714 32 HE1 PHE 4 HE1 PHE 4 9.942 -2.636 -0.921 33 HE2 PHE 4 HE2 PHE 4 8.846 0.736 -3.347 34 HZ PHE 4 HZ PHE 4 10.273 -1.249 -2.951 35 H LYS 5 HN LYS 5 4.913 2.578 0.874 36 HA LYS 5 HA LYS 5 3.574 2.323 3.534 37 1HB LYS 5 HB2 LYS 5 4.710 4.732 2.190 38 2HB LYS 5 HB1 LYS 5 3.171 4.935 3.028 39 1HG LYS 5 HG2 LYS 5 4.083 4.297 5.110 40 2HG LYS 5 HG1 LYS 5 5.494 3.550 4.361 41 1HD LYS 5 HD2 LYS 5 6.366 5.715 3.704 42 2HD LYS 5 HD1 LYS 5 4.897 6.519 4.257 43 1HE LYS 5 HE2 LYS 5 6.434 4.830 6.212 44 2HE LYS 5 HE1 LYS 5 7.012 6.466 5.839 45 1HZ LYS 5 HZ1 LYS 5 4.206 5.814 6.564 46 2HZ LYS 5 HZ2 LYS 5 4.872 7.363 6.351 47 3HZ LYS 5 HZ3 LYS 5 5.354 6.401 7.666 48 H LEU 6 HN LEU 6 1.498 1.671 3.111 49 HA LEU 6 HA LEU 6 0.297 2.306 0.458 50 1HB LEU 6 HB2 LEU 6 0.389 -0.039 1.136 51 2HB LEU 6 HB1 LEU 6 -0.402 0.341 2.665 52 HG LEU 6 HG LEU 6 -2.394 1.155 1.353 53 1HD1 LEU 6 HD11 LEU 6 -0.763 0.016 -0.929 54 2HD1 LEU 6 HD12 LEU 6 -1.386 1.659 -0.770 55 3HD1 LEU 6 HD13 LEU 6 -2.498 0.317 -1.037 56 1HD2 LEU 6 HD21 LEU 6 -1.408 -1.677 1.300 57 2HD2 LEU 6 HD22 LEU 6 -2.907 -1.286 0.458 58 3HD2 LEU 6 HD23 LEU 6 -2.765 -0.983 2.191 59 H ILE 7 HN ILE 7 -1.040 4.077 0.419 60 HA ILE 7 HA ILE 7 -2.083 5.340 2.800 61 HB ILE 7 HB ILE 7 -1.575 6.184 0.332 62 1HG1 ILE 7 HG12 ILE 7 -3.307 8.026 0.705 63 2HG1 ILE 7 HG11 ILE 7 -3.812 7.118 2.129 64 1HG2 ILE 7 HG21 ILE 7 -4.535 5.979 -0.018 65 2HG2 ILE 7 HG22 ILE 7 -3.552 4.578 -0.441 66 3HG2 ILE 7 HG23 ILE 7 -3.268 6.127 -1.235 67 1HD1 ILE 7 HD11 ILE 7 -0.893 7.625 1.797 68 2HD1 ILE 7 HD12 ILE 7 -1.860 7.550 3.269 69 3HD1 ILE 7 HD13 ILE 7 -1.905 8.993 2.259 70 H ILE 8 HN ILE 8 -4.580 5.575 3.103 71 HA ILE 8 HA ILE 8 -5.942 3.003 2.374 72 HB ILE 8 HB ILE 8 -5.974 4.476 5.032 73 1HG1 ILE 8 HG12 ILE 8 -4.766 1.781 4.339 74 2HG1 ILE 8 HG11 ILE 8 -3.829 3.271 4.452 75 1HG2 ILE 8 HG21 ILE 8 -8.074 3.205 4.358 76 2HG2 ILE 8 HG22 ILE 8 -7.312 2.662 5.853 77 3HG2 ILE 8 HG23 ILE 8 -7.089 1.742 4.365 78 1HD1 ILE 8 HD11 ILE 8 -5.615 2.626 6.748 79 2HD1 ILE 8 HD12 ILE 8 -4.021 3.382 6.740 80 3HD1 ILE 8 HD13 ILE 8 -4.169 1.634 6.557 81 H ASN 9 HN ASN 9 -6.816 4.558 0.639 82 HA ASN 9 HA ASN 9 -8.872 6.449 1.672 83 1HB ASN 9 HB2 ASN 9 -7.221 6.099 -0.727 84 2HB ASN 9 HB1 ASN 9 -8.904 6.444 -1.120 85 1HD2 ASN 9 HD21 ASN 9 -6.512 8.252 -1.390 86 2HD2 ASN 9 HD22 ASN 9 -6.880 9.627 -0.465 87 H GLY 10 HN GLY 10 -9.466 3.846 2.291 88 1HA GLY 10 HA2 GLY 10 -11.474 2.998 0.245 89 2HA GLY 10 HA1 GLY 10 -10.720 1.905 1.408 90 H LYS 11 HN LYS 11 -13.550 2.250 1.070 91 HA LYS 11 HA LYS 11 -14.613 3.946 3.183 92 1HB LYS 11 HB2 LYS 11 -15.748 1.605 1.617 93 2HB LYS 11 HB1 LYS 11 -16.701 2.698 2.622 94 1HG LYS 11 HG2 LYS 11 -14.961 3.658 0.337 95 2HG LYS 11 HG1 LYS 11 -16.668 3.264 0.144 96 1HD LYS 11 HD2 LYS 11 -17.074 5.409 0.740 97 2HD LYS 11 HD1 LYS 11 -16.674 4.903 2.380 98 1HE LYS 11 HE2 LYS 11 -14.684 6.024 2.358 99 2HE LYS 11 HE1 LYS 11 -14.320 5.521 0.695 100 1HZ LYS 11 HZ1 LYS 11 -14.778 7.838 0.628 101 2HZ LYS 11 HZ2 LYS 11 -16.184 7.662 1.565 102 3HZ LYS 11 HZ3 LYS 11 -16.136 7.058 -0.022 103 H THR 12 HN THR 12 -12.910 0.996 3.286 104 HA THR 12 HA THR 12 -14.357 -0.028 5.671 105 HB THR 12 HB THR 12 -11.931 -1.164 4.261 106 HG1 THR 12 HG1 THR 12 -13.508 -2.323 3.024 107 1HG2 THR 12 HG21 THR 12 -13.392 -3.276 4.998 108 2HG2 THR 12 HG22 THR 12 -13.986 -2.128 6.198 109 3HG2 THR 12 HG23 THR 12 -12.264 -2.500 6.108 110 H LEU 13 HN LEU 13 -11.243 1.381 4.702 111 HA LEU 13 HA LEU 13 -10.586 1.725 7.608 112 1HB LEU 13 HB2 LEU 13 -8.920 0.566 5.365 113 2HB LEU 13 HB1 LEU 13 -8.188 1.175 6.849 114 HG LEU 13 HG LEU 13 -10.440 -0.834 6.913 115 1HD1 LEU 13 HD11 LEU 13 -8.706 -2.586 7.137 116 2HD1 LEU 13 HD12 LEU 13 -7.457 -1.382 6.817 117 3HD1 LEU 13 HD13 LEU 13 -8.623 -1.800 5.561 118 1HD2 LEU 13 HD21 LEU 13 -9.441 0.638 8.905 119 2HD2 LEU 13 HD22 LEU 13 -8.217 -0.631 8.903 120 3HD2 LEU 13 HD23 LEU 13 -9.912 -1.043 9.157 121 H LYS 14 HN LYS 14 -8.724 3.361 7.830 122 HA LYS 14 HA LYS 14 -8.415 5.283 5.612 123 1HB LYS 14 HB2 LYS 14 -10.623 5.559 7.101 124 2HB LYS 14 HB1 LYS 14 -9.494 6.396 8.167 125 1HG LYS 14 HG2 LYS 14 -8.752 7.578 5.913 126 2HG LYS 14 HG1 LYS 14 -10.376 7.120 5.398 127 1HD LYS 14 HD2 LYS 14 -10.965 8.126 7.828 128 2HD LYS 14 HD1 LYS 14 -9.529 9.083 7.466 129 1HE LYS 14 HE2 LYS 14 -11.145 10.412 6.445 130 2HE LYS 14 HE1 LYS 14 -10.774 9.325 5.092 131 1HZ LYS 14 HZ1 LYS 14 -12.503 7.805 5.983 132 2HZ LYS 14 HZ2 LYS 14 -13.125 9.288 5.434 133 3HZ LYS 14 HZ3 LYS 14 -12.941 9.005 7.099 134 H GLY 15 HN GLY 15 -6.415 6.261 5.792 135 1HA GLY 15 HA2 GLY 15 -4.938 7.461 7.547 136 2HA GLY 15 HA1 GLY 15 -4.949 5.898 8.365 137 H GLU 16 HN GLU 16 -2.747 5.443 8.129 138 HA GLU 16 HA GLU 16 -1.852 4.867 5.329 139 1HB GLU 16 HB2 GLU 16 -0.562 6.487 7.520 140 2HB GLU 16 HB1 GLU 16 0.432 5.714 6.284 141 1HG GLU 16 HG2 GLU 16 -0.435 7.025 4.570 142 2HG GLU 16 HG1 GLU 16 -1.945 7.331 5.430 143 H THR 17 HN THR 17 -0.306 3.125 5.201 144 HA THR 17 HA THR 17 0.054 1.531 7.718 145 HB THR 17 HB THR 17 -0.464 0.377 4.971 146 HG1 THR 17 HG1 THR 17 -2.384 1.182 5.204 147 1HG2 THR 17 HG21 THR 17 0.453 -1.176 6.594 148 2HG2 THR 17 HG22 THR 17 -1.256 -1.549 6.365 149 3HG2 THR 17 HG23 THR 17 -0.730 -0.670 7.801 150 H THR 18 HN THR 18 2.054 0.410 7.844 151 HA THR 18 HA THR 18 4.010 0.936 5.629 152 HB THR 18 HB THR 18 5.668 1.341 7.439 153 HG1 THR 18 HG1 THR 18 5.166 0.888 9.416 154 1HG2 THR 18 HG21 THR 18 5.092 3.522 7.456 155 2HG2 THR 18 HG22 THR 18 3.610 3.196 8.353 156 3HG2 THR 18 HG23 THR 18 3.628 3.046 6.597 157 H THR 19 HN THR 19 5.896 -0.605 5.732 158 HA THR 19 HA THR 19 5.505 -3.116 7.235 159 HB THR 19 HB THR 19 4.011 -3.343 5.293 160 HG1 THR 19 HG1 THR 19 5.137 -5.186 5.928 161 1HG2 THR 19 HG21 THR 19 5.206 -1.704 3.841 162 2HG2 THR 19 HG22 THR 19 4.870 -3.224 3.013 163 3HG2 THR 19 HG23 THR 19 6.494 -2.888 3.613 164 H GLU 20 HN GLU 20 7.289 -4.754 6.181 165 HA GLU 20 HA GLU 20 9.795 -3.155 5.772 166 1HB GLU 20 HB2 GLU 20 10.891 -4.916 7.169 167 2HB GLU 20 HB1 GLU 20 9.647 -4.032 8.047 168 1HG GLU 20 HG2 GLU 20 8.511 -5.936 8.442 169 2HG GLU 20 HG1 GLU 20 8.432 -6.286 6.717 170 H ALA 21 HN ALA 21 9.787 -3.509 3.486 171 HA ALA 21 HA ALA 21 10.177 -6.367 2.646 172 1HB ALA 21 HB1 ALA 21 8.859 -5.926 0.774 173 2HB ALA 21 HB2 ALA 21 9.232 -4.202 0.794 174 3HB ALA 21 HB3 ALA 21 8.093 -4.872 1.962 175 H VAL 22 HN VAL 22 11.351 -6.272 0.344 176 HA VAL 22 HA VAL 22 13.809 -4.631 0.737 177 HB VAL 22 HB VAL 22 14.008 -7.083 0.566 178 1HG1 VAL 22 HG11 VAL 22 12.131 -7.743 -0.727 179 2HG1 VAL 22 HG12 VAL 22 13.520 -8.072 -1.762 180 3HG1 VAL 22 HG13 VAL 22 12.539 -6.634 -2.036 181 1HG2 VAL 22 HG21 VAL 22 15.894 -5.869 -0.283 182 2HG2 VAL 22 HG22 VAL 22 15.053 -5.486 -1.785 183 3HG2 VAL 22 HG23 VAL 22 15.557 -7.143 -1.455 184 H ASP 23 HN ASP 23 11.088 -5.089 -1.424 185 HA ASP 23 HA ASP 23 11.677 -2.618 -2.848 186 1HB ASP 23 HB2 ASP 23 13.148 -4.660 -3.717 187 2HB ASP 23 HB1 ASP 23 11.669 -5.045 -4.599 188 H ALA 24 HN ALA 24 10.032 -2.483 -4.801 189 HA ALA 24 HA ALA 24 7.391 -2.736 -3.839 190 1HB ALA 24 HB1 ALA 24 6.792 -2.212 -6.183 191 2HB ALA 24 HB2 ALA 24 8.432 -2.622 -6.685 192 3HB ALA 24 HB3 ALA 24 8.152 -1.229 -5.641 193 H ALA 25 HN ALA 25 9.416 -5.057 -5.504 194 HA ALA 25 HA ALA 25 7.454 -6.821 -6.571 195 1HB ALA 25 HB1 ALA 25 9.624 -7.274 -7.248 196 2HB ALA 25 HB2 ALA 25 9.458 -8.488 -5.980 197 3HB ALA 25 HB3 ALA 25 10.295 -6.972 -5.645 198 H THR 26 HN THR 26 8.523 -6.329 -3.261 199 HA THR 26 HA THR 26 6.929 -8.713 -2.387 200 HB THR 26 HB THR 26 9.030 -7.133 -0.879 201 HG1 THR 26 HG1 THR 26 10.469 -8.211 -1.942 202 1HG2 THR 26 HG21 THR 26 7.722 -9.833 -0.493 203 2HG2 THR 26 HG22 THR 26 7.669 -8.447 0.597 204 3HG2 THR 26 HG23 THR 26 9.177 -9.335 0.371 205 H ALA 27 HN ALA 27 7.311 -5.235 -2.063 206 HA ALA 27 HA ALA 27 5.758 -4.770 0.283 207 1HB ALA 27 HB1 ALA 27 5.595 -2.891 -2.026 208 2HB ALA 27 HB2 ALA 27 7.207 -3.281 -1.428 209 3HB ALA 27 HB3 ALA 27 6.014 -2.565 -0.344 210 H GLU 28 HN GLU 28 4.717 -4.606 -3.146 211 HA GLU 28 HA GLU 28 1.944 -4.179 -2.693 212 1HB GLU 28 HB2 GLU 28 3.454 -4.168 -4.833 213 2HB GLU 28 HB1 GLU 28 3.018 -5.874 -4.941 214 1HG GLU 28 HG2 GLU 28 0.568 -4.934 -4.564 215 2HG GLU 28 HG1 GLU 28 1.276 -3.453 -5.210 216 H LYS 29 HN LYS 29 3.774 -7.243 -2.890 217 HA LYS 29 HA LYS 29 1.605 -9.071 -2.893 218 1HB LYS 29 HB2 LYS 29 4.419 -9.096 -1.815 219 2HB LYS 29 HB1 LYS 29 3.374 -10.506 -1.639 220 1HG LYS 29 HG2 LYS 29 2.940 -10.192 -4.197 221 2HG LYS 29 HG1 LYS 29 4.429 -9.247 -4.158 222 1HD LYS 29 HD2 LYS 29 5.537 -11.211 -3.013 223 2HD LYS 29 HD1 LYS 29 4.075 -12.141 -3.341 224 1HE LYS 29 HE2 LYS 29 5.201 -10.694 -5.677 225 2HE LYS 29 HE1 LYS 29 6.168 -12.052 -5.069 226 1HZ LYS 29 HZ1 LYS 29 4.085 -13.368 -5.004 227 2HZ LYS 29 HZ2 LYS 29 4.547 -12.919 -6.576 228 3HZ LYS 29 HZ3 LYS 29 3.286 -12.095 -5.790 229 H VAL 30 HN VAL 30 3.127 -7.353 -0.185 230 HA VAL 30 HA VAL 30 1.469 -8.726 1.826 231 HB VAL 30 HB VAL 30 3.402 -6.381 1.922 232 1HG1 VAL 30 HG11 VAL 30 1.944 -6.264 3.846 233 2HG1 VAL 30 HG12 VAL 30 3.478 -6.949 4.383 234 3HG1 VAL 30 HG13 VAL 30 2.086 -8.001 4.122 235 1HG2 VAL 30 HG21 VAL 30 4.688 -8.374 3.163 236 2HG2 VAL 30 HG22 VAL 30 4.778 -8.166 1.414 237 3HG2 VAL 30 HG23 VAL 30 3.671 -9.351 2.106 238 H PHE 31 HN PHE 31 1.761 -5.404 0.512 239 HA PHE 31 HA PHE 31 -0.428 -4.295 2.002 240 1HB PHE 31 HB2 PHE 31 1.142 -3.604 -0.464 241 2HB PHE 31 HB1 PHE 31 -0.294 -2.659 -0.077 242 HD1 PHE 31 HD1 PHE 31 -0.335 -2.442 2.796 243 HD2 PHE 31 HD2 PHE 31 3.049 -2.409 0.150 244 HE1 PHE 31 HE1 PHE 31 0.962 -1.156 4.471 245 HE2 PHE 31 HE2 PHE 31 4.345 -1.127 1.830 246 HZ PHE 31 HZ PHE 31 3.304 -0.500 3.989 247 H LYS 32 HN LYS 32 -0.257 -5.892 -1.175 248 HA LYS 32 HA LYS 32 -2.946 -5.343 -2.013 249 1HB LYS 32 HB2 LYS 32 -1.109 -6.181 -3.460 250 2HB LYS 32 HB1 LYS 32 -1.121 -7.712 -2.584 251 1HG LYS 32 HG2 LYS 32 -2.997 -8.452 -3.645 252 2HG LYS 32 HG1 LYS 32 -3.761 -6.863 -3.612 253 1HD LYS 32 HD2 LYS 32 -2.272 -6.128 -5.458 254 2HD LYS 32 HD1 LYS 32 -1.572 -7.746 -5.517 255 1HE LYS 32 HE2 LYS 32 -3.958 -8.616 -5.882 256 2HE LYS 32 HE1 LYS 32 -4.413 -6.926 -6.179 257 1HZ LYS 32 HZ1 LYS 32 -2.198 -8.359 -7.551 258 2HZ LYS 32 HZ2 LYS 32 -2.705 -6.765 -7.853 259 3HZ LYS 32 HZ3 LYS 32 -3.726 -8.070 -8.228 260 H GLN 33 HN GLN 33 -1.504 -8.085 -0.232 261 HA GLN 33 HA GLN 33 -3.904 -9.606 0.106 262 1HB GLN 33 HB2 GLN 33 -1.404 -10.180 0.489 263 2HB GLN 33 HB1 GLN 33 -1.635 -9.464 2.084 264 1HG GLN 33 HG2 GLN 33 -2.124 -11.716 2.490 265 2HG GLN 33 HG1 GLN 33 -3.728 -11.042 2.192 266 1HE2 GLN 33 HE21 GLN 33 -4.761 -12.795 1.143 267 2HE2 GLN 33 HE22 GLN 33 -4.186 -13.511 -0.285 268 H TYR 34 HN TYR 34 -2.579 -6.862 1.774 269 HA TYR 34 HA TYR 34 -4.291 -6.977 4.121 270 1HB TYR 34 HB2 TYR 34 -2.273 -5.799 4.378 271 2HB TYR 34 HB1 TYR 34 -2.392 -5.048 2.792 272 HD1 TYR 34 HD1 TYR 34 -3.511 -2.953 2.491 273 HD2 TYR 34 HD2 TYR 34 -3.682 -4.983 6.267 274 HE1 TYR 34 HE1 TYR 34 -4.470 -0.919 3.532 275 HE2 TYR 34 HE2 TYR 34 -4.646 -2.949 7.318 276 HH TYR 34 HH TYR 34 -4.726 -0.545 6.927 277 H ALA 35 HN ALA 35 -4.323 -5.078 1.089 278 HA ALA 35 HA ALA 35 -6.866 -3.781 1.650 279 1HB ALA 35 HB1 ALA 35 -6.490 -3.582 -1.043 280 2HB ALA 35 HB2 ALA 35 -4.851 -3.982 -0.525 281 3HB ALA 35 HB3 ALA 35 -5.661 -2.552 0.125 282 H ASN 36 HN ASN 36 -5.843 -6.660 -0.151 283 HA ASN 36 HA ASN 36 -8.206 -7.282 -1.548 284 1HB ASN 36 HB2 ASN 36 -5.914 -8.806 -0.362 285 2HB ASN 36 HB1 ASN 36 -7.265 -9.710 -1.045 286 1HD2 ASN 36 HD21 ASN 36 -5.611 -10.411 -2.727 287 2HD2 ASN 36 HD22 ASN 36 -5.304 -9.377 -4.038 288 H ASP 37 HN ASP 37 -7.241 -8.340 1.733 289 HA ASP 37 HA ASP 37 -9.713 -9.729 2.301 290 1HB ASP 37 HB2 ASP 37 -7.327 -9.856 3.357 291 2HB ASP 37 HB1 ASP 37 -7.871 -8.506 4.353 292 H ASN 38 HN ASN 38 -8.465 -6.510 3.238 293 HA ASN 38 HA ASN 38 -10.730 -5.658 4.760 294 1HB ASN 38 HB2 ASN 38 -8.531 -4.304 3.198 295 2HB ASN 38 HB1 ASN 38 -9.766 -3.351 4.022 296 1HD2 ASN 38 HD21 ASN 38 -6.722 -4.061 4.567 297 2HD2 ASN 38 HD22 ASN 38 -6.727 -4.424 6.225 298 H GLY 39 HN GLY 39 -9.964 -5.317 1.293 299 1HA GLY 39 HA2 GLY 39 -11.776 -5.470 -0.368 300 2HA GLY 39 HA1 GLY 39 -12.848 -4.706 0.807 301 H ILE 40 HN ILE 40 -9.578 -3.849 -0.375 302 HA ILE 40 HA ILE 40 -10.624 -1.098 -0.936 303 HB ILE 40 HB ILE 40 -7.859 -2.165 -0.263 304 1HG1 ILE 40 HG12 ILE 40 -9.759 -0.372 1.285 305 2HG1 ILE 40 HG11 ILE 40 -9.536 -2.094 1.590 306 1HG2 ILE 40 HG21 ILE 40 -8.827 0.518 -1.187 307 2HG2 ILE 40 HG22 ILE 40 -7.296 -0.295 -1.527 308 3HG2 ILE 40 HG23 ILE 40 -7.563 0.469 0.041 309 1HD1 ILE 40 HD11 ILE 40 -8.157 -0.254 2.941 310 2HD1 ILE 40 HD12 ILE 40 -7.099 -0.365 1.534 311 3HD1 ILE 40 HD13 ILE 40 -7.434 -1.802 2.501 312 H ASP 41 HN ASP 41 -11.300 -2.576 -2.997 313 HA ASP 41 HA ASP 41 -9.150 -2.953 -4.965 314 1HB ASP 41 HB2 ASP 41 -11.231 -4.367 -4.708 315 2HB ASP 41 HB1 ASP 41 -12.171 -2.989 -5.283 316 H GLY 42 HN GLY 42 -8.775 -0.428 -4.360 317 1HA GLY 42 HA2 GLY 42 -10.472 1.361 -5.980 318 2HA GLY 42 HA1 GLY 42 -9.155 1.855 -4.912 319 H GLU 43 HN GLU 43 -7.906 3.023 -6.307 320 HA GLU 43 HA GLU 43 -6.922 1.661 -8.748 321 1HB GLU 43 HB2 GLU 43 -7.273 4.595 -8.069 322 2HB GLU 43 HB1 GLU 43 -6.564 4.005 -9.573 323 1HG GLU 43 HG2 GLU 43 -8.581 3.277 -10.403 324 2HG GLU 43 HG1 GLU 43 -9.218 2.890 -8.804 325 H TRP 44 HN TRP 44 -4.983 0.789 -8.138 326 HA TRP 44 HA TRP 44 -3.331 1.958 -6.094 327 1HB TRP 44 HB2 TRP 44 -3.125 -0.344 -8.012 328 2HB TRP 44 HB1 TRP 44 -1.786 0.075 -6.936 329 HD1 TRP 44 HD1 TRP 44 -5.573 -0.658 -6.717 330 HE1 TRP 44 HE1 TRP 44 -6.039 -1.773 -4.435 331 HE3 TRP 44 HE3 TRP 44 -0.892 -0.499 -4.681 332 HZ2 TRP 44 HZ2 TRP 44 -4.613 -2.483 -2.065 333 HZ3 TRP 44 HZ3 TRP 44 -0.475 -1.400 -2.411 334 HH2 TRP 44 HH2 TRP 44 -2.329 -2.395 -1.100 335 H THR 45 HN THR 45 -1.435 3.025 -6.266 336 HA THR 45 HA THR 45 -0.134 3.500 -8.863 337 HB THR 45 HB THR 45 -0.286 6.035 -8.290 338 HG1 THR 45 HG1 THR 45 -1.583 6.550 -6.731 339 1HG2 THR 45 HG21 THR 45 -2.944 4.873 -9.068 340 2HG2 THR 45 HG22 THR 45 -1.541 4.611 -10.103 341 3HG2 THR 45 HG23 THR 45 -2.087 6.251 -9.758 342 H TYR 46 HN TYR 46 2.033 3.570 -8.451 343 HA TYR 46 HA TYR 46 2.894 3.806 -5.604 344 1HB TYR 46 HB2 TYR 46 3.480 1.730 -6.631 345 2HB TYR 46 HB1 TYR 46 3.971 2.514 -8.126 346 HD1 TYR 46 HD1 TYR 46 4.945 1.805 -4.619 347 HD2 TYR 46 HD2 TYR 46 6.159 3.508 -8.371 348 HE1 TYR 46 HE1 TYR 46 7.282 1.866 -3.831 349 HE2 TYR 46 HE2 TYR 46 8.505 3.576 -7.577 350 HH TYR 46 HH TYR 46 9.796 1.972 -5.538 351 H ASP 47 HN ASP 47 4.321 5.428 -5.000 352 HA ASP 47 HA ASP 47 5.167 7.371 -7.121 353 1HB ASP 47 HB2 ASP 47 4.476 7.657 -4.182 354 2HB ASP 47 HB1 ASP 47 5.146 8.969 -5.152 355 H ASP 48 HN ASP 48 7.319 7.170 -7.540 356 HA ASP 48 HA ASP 48 9.185 5.813 -5.800 357 1HB ASP 48 HB2 ASP 48 10.805 6.576 -7.523 358 2HB ASP 48 HB1 ASP 48 9.349 5.906 -8.256 359 H ALA 49 HN ALA 49 8.181 9.157 -6.131 360 HA ALA 49 HA ALA 49 10.344 10.598 -5.102 361 1HB ALA 49 HB1 ALA 49 8.776 12.284 -4.885 362 2HB ALA 49 HB2 ALA 49 7.589 11.219 -4.131 363 3HB ALA 49 HB3 ALA 49 7.843 11.161 -5.875 364 H THR 50 HN THR 50 7.898 8.729 -3.321 365 HA THR 50 HA THR 50 9.671 8.799 -0.920 366 HB THR 50 HB THR 50 7.662 9.337 0.453 367 HG1 THR 50 HG1 THR 50 5.881 8.895 -0.571 368 1HG2 THR 50 HG21 THR 50 8.065 11.336 -1.785 369 2HG2 THR 50 HG22 THR 50 9.197 11.118 -0.450 370 3HG2 THR 50 HG23 THR 50 7.555 11.679 -0.131 371 H LYS 51 HN LYS 51 8.358 6.813 -3.092 372 HA LYS 51 HA LYS 51 7.583 4.583 -3.097 373 1HB LYS 51 HB2 LYS 51 9.666 5.010 -1.165 374 2HB LYS 51 HB1 LYS 51 8.553 3.810 -0.512 375 1HG LYS 51 HG2 LYS 51 9.795 2.365 -1.772 376 2HG LYS 51 HG1 LYS 51 8.744 2.930 -3.073 377 1HD LYS 51 HD2 LYS 51 11.066 3.087 -3.804 378 2HD LYS 51 HD1 LYS 51 10.420 4.714 -3.589 379 1HE LYS 51 HE2 LYS 51 11.836 5.174 -1.854 380 2HE LYS 51 HE1 LYS 51 11.675 3.544 -1.170 381 1HZ LYS 51 HZ1 LYS 51 13.871 3.782 -2.085 382 2HZ LYS 51 HZ2 LYS 51 13.246 4.312 -3.573 383 3HZ LYS 51 HZ3 LYS 51 12.992 2.711 -3.064 384 H THR 52 HN THR 52 5.284 5.021 -2.887 385 HA THR 52 HA THR 52 4.165 4.090 -0.319 386 HB THR 52 HB THR 52 3.566 6.840 -1.451 387 HG1 THR 52 HG1 THR 52 4.696 7.548 0.376 388 1HG2 THR 52 HG21 THR 52 1.776 5.470 -0.134 389 2HG2 THR 52 HG22 THR 52 2.085 7.141 0.339 390 3HG2 THR 52 HG23 THR 52 2.788 5.817 1.268 391 H PHE 53 HN PHE 53 2.829 2.509 -1.159 392 HA PHE 53 HA PHE 53 1.536 2.597 -3.732 393 1HB PHE 53 HB2 PHE 53 1.027 1.070 -1.156 394 2HB PHE 53 HB1 PHE 53 0.174 0.727 -2.660 395 HD1 PHE 53 HD1 PHE 53 1.318 -0.275 -4.565 396 HD2 PHE 53 HD2 PHE 53 3.424 0.608 -0.927 397 HE1 PHE 53 HE1 PHE 53 3.213 -1.685 -5.320 398 HE2 PHE 53 HE2 PHE 53 5.320 -0.802 -1.680 399 HZ PHE 53 HZ PHE 53 5.213 -1.950 -3.880 400 H THR 54 HN THR 54 -0.315 3.742 -4.304 401 HA THR 54 HA THR 54 -1.946 4.873 -2.041 402 HB THR 54 HB THR 54 -1.407 5.982 -4.808 403 HG1 THR 54 HG1 THR 54 -0.363 6.710 -2.276 404 1HG2 THR 54 HG21 THR 54 -3.526 6.589 -3.273 405 2HG2 THR 54 HG22 THR 54 -2.693 7.799 -4.247 406 3HG2 THR 54 HG23 THR 54 -2.335 7.653 -2.527 407 H VAL 55 HN VAL 55 -3.699 3.360 -1.998 408 HA VAL 55 HA VAL 55 -5.176 2.958 -4.529 409 HB VAL 55 HB VAL 55 -4.499 0.953 -3.165 410 1HG1 VAL 55 HG11 VAL 55 -4.849 2.129 -0.941 411 2HG1 VAL 55 HG12 VAL 55 -5.539 0.504 -1.051 412 3HG1 VAL 55 HG13 VAL 55 -6.581 1.927 -1.215 413 1HG2 VAL 55 HG21 VAL 55 -6.511 1.019 -4.686 414 2HG2 VAL 55 HG22 VAL 55 -7.491 1.349 -3.257 415 3HG2 VAL 55 HG23 VAL 55 -6.610 -0.172 -3.389 416 H THR 56 HN THR 56 -7.611 3.057 -4.286 417 HA THR 56 HA THR 56 -8.730 4.672 -2.108 418 HB THR 56 HB THR 56 -8.358 5.714 -4.932 419 HG1 THR 56 HG1 THR 56 -6.622 6.492 -4.092 420 1HG2 THR 56 HG21 THR 56 -10.149 6.526 -2.716 421 2HG2 THR 56 HG22 THR 56 -10.312 6.798 -4.451 422 3HG2 THR 56 HG23 THR 56 -9.261 7.838 -3.490 423 H GLU 57 HN GLU 57 -10.639 3.531 -1.850 424 HA GLU 57 HA GLU 57 -11.920 1.939 -3.851 425 1HB GLU 57 HB2 GLU 57 -12.775 3.204 -1.242 426 2HB GLU 57 HB1 GLU 57 -13.878 2.195 -2.178 427 1HG GLU 57 HG2 GLU 57 -11.109 1.247 -1.433 428 2HG GLU 57 HG1 GLU 57 -12.491 1.014 -0.360 Start of MODEL 8 1 1H MET 1 HT1 MET 1 17.253 -1.113 3.550 2 2H MET 1 HT2 MET 1 17.026 -2.370 4.671 3 3H MET 1 HT3 MET 1 16.195 -0.900 4.859 4 HA MET 1 HA MET 1 15.819 -2.661 2.497 5 1HB MET 1 HB2 MET 1 13.808 -3.459 3.745 6 2HB MET 1 HB1 MET 1 15.310 -3.884 4.561 7 1HG MET 1 HG2 MET 1 14.079 -1.270 5.299 8 2HG MET 1 HG1 MET 1 13.247 -2.722 5.849 9 1HE MET 1 HE1 MET 1 14.291 -3.970 8.386 10 2HE MET 1 HE2 MET 1 13.252 -2.644 7.871 11 3HE MET 1 HE3 MET 1 14.515 -2.351 9.063 12 H THR 2 HN THR 2 13.769 -2.073 1.412 13 HA THR 2 HA THR 2 13.324 0.843 1.431 14 HB THR 2 HB THR 2 12.027 -1.340 -0.226 15 HG1 THR 2 HG1 THR 2 14.434 0.103 -0.636 16 1HG2 THR 2 HG21 THR 2 12.435 1.636 -0.581 17 2HG2 THR 2 HG22 THR 2 10.904 0.766 -0.482 18 3HG2 THR 2 HG23 THR 2 11.943 0.568 -1.895 19 H THR 3 HN THR 3 11.888 1.605 2.939 20 HA THR 3 HA THR 3 9.684 -0.063 3.902 21 HB THR 3 HB THR 3 10.375 2.781 4.640 22 HG1 THR 3 HG1 THR 3 12.138 2.069 5.490 23 1HG2 THR 3 HG21 THR 3 9.137 2.407 6.548 24 2HG2 THR 3 HG22 THR 3 9.486 0.678 6.562 25 3HG2 THR 3 HG23 THR 3 8.286 1.326 5.443 26 H PHE 4 HN PHE 4 8.324 -0.076 1.966 27 HA PHE 4 HA PHE 4 7.446 2.367 0.670 28 1HB PHE 4 HB2 PHE 4 6.379 -0.472 0.779 29 2HB PHE 4 HB1 PHE 4 5.744 0.766 -0.302 30 HD1 PHE 4 HD1 PHE 4 8.545 -1.477 0.420 31 HD2 PHE 4 HD2 PHE 4 7.134 1.678 -2.129 32 HE1 PHE 4 HE1 PHE 4 10.354 -1.979 -1.199 33 HE2 PHE 4 HE2 PHE 4 8.945 1.178 -3.749 34 HZ PHE 4 HZ PHE 4 10.553 -0.653 -3.284 35 H LYS 5 HN LYS 5 5.054 2.992 0.680 36 HA LYS 5 HA LYS 5 3.766 2.559 3.353 37 1HB LYS 5 HB2 LYS 5 4.592 5.080 1.939 38 2HB LYS 5 HB1 LYS 5 3.191 5.113 3.011 39 1HG LYS 5 HG2 LYS 5 4.459 4.581 4.903 40 2HG LYS 5 HG1 LYS 5 5.764 3.874 3.949 41 1HD LYS 5 HD2 LYS 5 5.855 6.388 2.990 42 2HD LYS 5 HD1 LYS 5 5.227 6.728 4.602 43 1HE LYS 5 HE2 LYS 5 7.430 6.676 5.225 44 2HE LYS 5 HE1 LYS 5 7.242 4.913 5.142 45 1HZ LYS 5 HZ1 LYS 5 9.057 5.598 3.725 46 2HZ LYS 5 HZ2 LYS 5 8.056 6.704 2.912 47 3HZ LYS 5 HZ3 LYS 5 7.777 5.034 2.765 48 H LEU 6 HN LEU 6 1.586 2.121 3.151 49 HA LEU 6 HA LEU 6 0.336 2.526 0.459 50 1HB LEU 6 HB2 LEU 6 0.505 0.208 1.208 51 2HB LEU 6 HB1 LEU 6 -0.240 0.619 2.752 52 HG LEU 6 HG LEU 6 -2.306 1.316 1.516 53 1HD1 LEU 6 HD11 LEU 6 -1.487 1.866 -0.649 54 2HD1 LEU 6 HD12 LEU 6 -2.443 0.402 -0.877 55 3HD1 LEU 6 HD13 LEU 6 -0.682 0.306 -0.824 56 1HD2 LEU 6 HD21 LEU 6 -2.632 -0.819 2.324 57 2HD2 LEU 6 HD22 LEU 6 -1.203 -1.457 1.508 58 3HD2 LEU 6 HD23 LEU 6 -2.688 -1.178 0.597 59 H ILE 7 HN ILE 7 -1.027 4.270 0.406 60 HA ILE 7 HA ILE 7 -2.047 5.581 2.769 61 HB ILE 7 HB ILE 7 -1.617 6.328 0.241 62 1HG1 ILE 7 HG12 ILE 7 -3.335 8.188 0.624 63 2HG1 ILE 7 HG11 ILE 7 -3.754 7.343 2.112 64 1HG2 ILE 7 HG21 ILE 7 -3.620 4.709 -0.400 65 2HG2 ILE 7 HG22 ILE 7 -3.392 6.242 -1.236 66 3HG2 ILE 7 HG23 ILE 7 -4.594 6.111 0.044 67 1HD1 ILE 7 HD11 ILE 7 -1.080 7.365 2.386 68 2HD1 ILE 7 HD12 ILE 7 -2.095 8.688 2.959 69 3HD1 ILE 7 HD13 ILE 7 -1.267 8.819 1.407 70 H ILE 8 HN ILE 8 -4.580 5.806 3.035 71 HA ILE 8 HA ILE 8 -5.890 3.178 2.444 72 HB ILE 8 HB ILE 8 -5.888 4.713 5.064 73 1HG1 ILE 8 HG12 ILE 8 -4.640 2.031 4.381 74 2HG1 ILE 8 HG11 ILE 8 -3.736 3.542 4.492 75 1HG2 ILE 8 HG21 ILE 8 -6.962 1.939 4.517 76 2HG2 ILE 8 HG22 ILE 8 -7.978 3.378 4.434 77 3HG2 ILE 8 HG23 ILE 8 -7.205 2.932 5.953 78 1HD1 ILE 8 HD11 ILE 8 -3.953 1.930 6.594 79 2HD1 ILE 8 HD12 ILE 8 -5.490 2.773 6.791 80 3HD1 ILE 8 HD13 ILE 8 -3.979 3.683 6.790 81 H ASN 9 HN ASN 9 -6.845 4.660 0.689 82 HA ASN 9 HA ASN 9 -8.906 6.543 1.733 83 1HB ASN 9 HB2 ASN 9 -7.843 5.887 -1.033 84 2HB ASN 9 HB1 ASN 9 -9.107 7.075 -0.730 85 1HD2 ASN 9 HD21 ASN 9 -6.430 7.661 -1.830 86 2HD2 ASN 9 HD22 ASN 9 -5.675 8.709 -0.729 87 H GLY 10 HN GLY 10 -9.405 3.921 2.402 88 1HA GLY 10 HA2 GLY 10 -11.475 3.009 0.449 89 2HA GLY 10 HA1 GLY 10 -10.654 1.948 1.599 90 H LYS 11 HN LYS 11 -13.531 2.343 1.321 91 HA LYS 11 HA LYS 11 -14.517 4.022 3.465 92 1HB LYS 11 HB2 LYS 11 -16.620 2.793 3.005 93 2HB LYS 11 HB1 LYS 11 -15.843 3.309 1.511 94 1HG LYS 11 HG2 LYS 11 -16.095 1.140 0.872 95 2HG LYS 11 HG1 LYS 11 -14.693 0.843 1.900 96 1HD LYS 11 HD2 LYS 11 -16.258 0.463 3.825 97 2HD LYS 11 HD1 LYS 11 -17.607 0.598 2.697 98 1HE LYS 11 HE2 LYS 11 -15.491 -1.286 1.839 99 2HE LYS 11 HE1 LYS 11 -16.378 -1.772 3.297 100 1HZ LYS 11 HZ1 LYS 11 -17.598 -2.490 1.367 101 2HZ LYS 11 HZ2 LYS 11 -17.563 -0.925 0.706 102 3HZ LYS 11 HZ3 LYS 11 -18.455 -1.234 2.119 103 H THR 12 HN THR 12 -12.836 1.033 3.522 104 HA THR 12 HA THR 12 -14.147 0.049 5.986 105 HB THR 12 HB THR 12 -11.715 -1.014 4.529 106 HG1 THR 12 HG1 THR 12 -12.987 -1.741 3.023 107 1HG2 THR 12 HG21 THR 12 -11.919 -2.292 6.442 108 2HG2 THR 12 HG22 THR 12 -13.019 -3.174 5.382 109 3HG2 THR 12 HG23 THR 12 -13.659 -2.027 6.559 110 H LEU 13 HN LEU 13 -11.126 1.603 4.944 111 HA LEU 13 HA LEU 13 -10.465 2.056 7.827 112 1HB LEU 13 HB2 LEU 13 -8.833 0.695 5.691 113 2HB LEU 13 HB1 LEU 13 -8.039 1.495 7.048 114 HG LEU 13 HG LEU 13 -10.229 -0.567 7.391 115 1HD1 LEU 13 HD11 LEU 13 -8.568 -1.928 6.534 116 2HD1 LEU 13 HD12 LEU 13 -8.057 -1.876 8.221 117 3HD1 LEU 13 HD13 LEU 13 -7.273 -0.838 7.030 118 1HD2 LEU 13 HD21 LEU 13 -10.064 0.731 9.358 119 2HD2 LEU 13 HD22 LEU 13 -8.313 0.890 9.212 120 3HD2 LEU 13 HD23 LEU 13 -9.022 -0.652 9.691 121 H LYS 14 HN LYS 14 -8.619 3.703 7.993 122 HA LYS 14 HA LYS 14 -8.312 5.515 5.675 123 1HB LYS 14 HB2 LYS 14 -10.479 5.899 7.155 124 2HB LYS 14 HB1 LYS 14 -9.332 6.691 8.236 125 1HG LYS 14 HG2 LYS 14 -8.729 8.299 6.612 126 2HG LYS 14 HG1 LYS 14 -9.413 7.348 5.293 127 1HD LYS 14 HD2 LYS 14 -11.630 7.671 6.805 128 2HD LYS 14 HD1 LYS 14 -10.769 9.152 7.227 129 1HE LYS 14 HE2 LYS 14 -11.978 9.806 5.310 130 2HE LYS 14 HE1 LYS 14 -10.411 9.344 4.615 131 1HZ LYS 14 HZ1 LYS 14 -11.227 7.158 4.171 132 2HZ LYS 14 HZ2 LYS 14 -12.335 8.263 3.511 133 3HZ LYS 14 HZ3 LYS 14 -12.689 7.471 4.972 134 H GLY 15 HN GLY 15 -6.322 6.536 5.777 135 1HA GLY 15 HA2 GLY 15 -4.759 7.755 7.419 136 2HA GLY 15 HA1 GLY 15 -4.775 6.236 8.315 137 H GLU 16 HN GLU 16 -2.550 5.812 8.032 138 HA GLU 16 HA GLU 16 -1.792 4.950 5.269 139 1HB GLU 16 HB2 GLU 16 -0.629 7.042 7.025 140 2HB GLU 16 HB1 GLU 16 0.537 5.980 6.235 141 1HG GLU 16 HG2 GLU 16 -0.473 6.469 4.049 142 2HG GLU 16 HG1 GLU 16 -1.667 7.512 4.823 143 H THR 17 HN THR 17 0.081 3.431 5.314 144 HA THR 17 HA THR 17 0.552 2.116 7.958 145 HB THR 17 HB THR 17 -0.185 0.698 5.378 146 HG1 THR 17 HG1 THR 17 -2.200 0.489 6.253 147 1HG2 THR 17 HG21 THR 17 0.958 -0.882 6.634 148 2HG2 THR 17 HG22 THR 17 -0.679 -1.102 7.252 149 3HG2 THR 17 HG23 THR 17 0.490 -0.152 8.169 150 H THR 18 HN THR 18 2.413 0.504 7.749 151 HA THR 18 HA THR 18 4.329 1.224 5.565 152 HB THR 18 HB THR 18 6.074 1.358 7.383 153 HG1 THR 18 HG1 THR 18 3.796 1.396 9.068 154 1HG2 THR 18 HG21 THR 18 3.935 3.323 8.091 155 2HG2 THR 18 HG22 THR 18 4.537 3.302 6.433 156 3HG2 THR 18 HG23 THR 18 5.648 3.597 7.771 157 H THR 19 HN THR 19 6.208 -0.378 5.553 158 HA THR 19 HA THR 19 5.753 -2.977 6.860 159 HB THR 19 HB THR 19 4.179 -2.997 4.965 160 HG1 THR 19 HG1 THR 19 5.268 -4.923 5.454 161 1HG2 THR 19 HG21 THR 19 4.975 -2.778 2.665 162 2HG2 THR 19 HG22 THR 19 6.626 -2.536 3.235 163 3HG2 THR 19 HG23 THR 19 5.390 -1.325 3.574 164 H GLU 20 HN GLU 20 7.405 -4.599 5.523 165 HA GLU 20 HA GLU 20 9.981 -3.090 5.200 166 1HB GLU 20 HB2 GLU 20 9.154 -5.402 6.892 167 2HB GLU 20 HB1 GLU 20 10.771 -5.472 6.192 168 1HG GLU 20 HG2 GLU 20 10.893 -2.968 7.063 169 2HG GLU 20 HG1 GLU 20 9.648 -3.533 8.178 170 H ALA 21 HN ALA 21 9.992 -3.212 2.911 171 HA ALA 21 HA ALA 21 10.198 -5.980 1.771 172 1HB ALA 21 HB1 ALA 21 8.263 -5.420 0.717 173 2HB ALA 21 HB2 ALA 21 9.251 -4.335 -0.261 174 3HB ALA 21 HB3 ALA 21 8.420 -3.723 1.169 175 H VAL 22 HN VAL 22 11.924 -6.267 0.358 176 HA VAL 22 HA VAL 22 14.132 -4.458 0.376 177 HB VAL 22 HB VAL 22 14.253 -6.891 -0.049 178 1HG1 VAL 22 HG11 VAL 22 13.265 -7.947 -1.857 179 2HG1 VAL 22 HG12 VAL 22 13.300 -6.495 -2.858 180 3HG1 VAL 22 HG13 VAL 22 12.092 -6.658 -1.584 181 1HG2 VAL 22 HG21 VAL 22 16.025 -5.324 -0.918 182 2HG2 VAL 22 HG22 VAL 22 15.201 -5.343 -2.478 183 3HG2 VAL 22 HG23 VAL 22 15.895 -6.829 -1.828 184 H ASP 23 HN ASP 23 11.365 -4.752 -1.779 185 HA ASP 23 HA ASP 23 11.854 -2.120 -2.927 186 1HB ASP 23 HB2 ASP 23 12.267 -2.939 -5.222 187 2HB ASP 23 HB1 ASP 23 13.513 -3.512 -4.118 188 H ALA 24 HN ALA 24 10.244 -1.958 -4.984 189 HA ALA 24 HA ALA 24 7.602 -2.207 -4.055 190 1HB ALA 24 HB1 ALA 24 7.076 -1.894 -6.533 191 2HB ALA 24 HB2 ALA 24 8.812 -2.022 -6.820 192 3HB ALA 24 HB3 ALA 24 8.175 -0.706 -5.833 193 H ALA 25 HN ALA 25 9.627 -4.585 -5.640 194 HA ALA 25 HA ALA 25 7.658 -6.357 -6.688 195 1HB ALA 25 HB1 ALA 25 10.095 -7.480 -5.400 196 2HB ALA 25 HB2 ALA 25 10.361 -6.227 -6.612 197 3HB ALA 25 HB3 ALA 25 9.492 -7.700 -7.043 198 H THR 26 HN THR 26 8.808 -5.856 -3.396 199 HA THR 26 HA THR 26 7.126 -8.139 -2.437 200 HB THR 26 HB THR 26 9.195 -6.530 -0.921 201 HG1 THR 26 HG1 THR 26 10.670 -8.089 -1.592 202 1HG2 THR 26 HG21 THR 26 7.490 -8.164 0.174 203 2HG2 THR 26 HG22 THR 26 9.194 -8.316 0.604 204 3HG2 THR 26 HG23 THR 26 8.475 -9.430 -0.559 205 H ALA 27 HN ALA 27 7.543 -4.655 -2.293 206 HA ALA 27 HA ALA 27 6.006 -4.023 0.018 207 1HB ALA 27 HB1 ALA 27 6.221 -1.864 -0.786 208 2HB ALA 27 HB2 ALA 27 5.831 -2.335 -2.440 209 3HB ALA 27 HB3 ALA 27 7.437 -2.655 -1.789 210 H GLU 28 HN GLU 28 4.861 -3.810 -3.377 211 HA GLU 28 HA GLU 28 2.083 -3.579 -2.781 212 1HB GLU 28 HB2 GLU 28 3.614 -3.407 -4.981 213 2HB GLU 28 HB1 GLU 28 2.998 -5.042 -5.223 214 1HG GLU 28 HG2 GLU 28 0.678 -4.177 -4.923 215 2HG GLU 28 HG1 GLU 28 1.333 -2.544 -4.800 216 H LYS 29 HN LYS 29 4.122 -6.461 -3.240 217 HA LYS 29 HA LYS 29 2.097 -8.455 -3.346 218 1HB LYS 29 HB2 LYS 29 4.559 -8.721 -3.747 219 2HB LYS 29 HB1 LYS 29 4.823 -8.573 -2.009 220 1HG LYS 29 HG2 LYS 29 3.795 -10.620 -1.543 221 2HG LYS 29 HG1 LYS 29 2.880 -10.616 -3.052 222 1HD LYS 29 HD2 LYS 29 4.687 -11.348 -4.312 223 2HD LYS 29 HD1 LYS 29 5.872 -10.676 -3.192 224 1HE LYS 29 HE2 LYS 29 4.075 -12.933 -2.306 225 2HE LYS 29 HE1 LYS 29 5.561 -13.267 -3.219 226 1HZ LYS 29 HZ1 LYS 29 5.941 -13.172 -0.796 227 2HZ LYS 29 HZ2 LYS 29 5.418 -11.556 -0.793 228 3HZ LYS 29 HZ3 LYS 29 6.824 -11.994 -1.640 229 H VAL 30 HN VAL 30 3.615 -6.848 -0.564 230 HA VAL 30 HA VAL 30 2.101 -8.435 1.400 231 HB VAL 30 HB VAL 30 3.894 -5.985 1.589 232 1HG1 VAL 30 HG11 VAL 30 4.095 -6.805 4.014 233 2HG1 VAL 30 HG12 VAL 30 2.656 -7.773 3.691 234 3HG1 VAL 30 HG13 VAL 30 2.579 -6.014 3.577 235 1HG2 VAL 30 HG21 VAL 30 4.485 -8.889 2.231 236 2HG2 VAL 30 HG22 VAL 30 5.631 -7.548 2.228 237 3HG2 VAL 30 HG23 VAL 30 4.928 -8.111 0.711 238 H PHE 31 HN PHE 31 2.175 -5.024 0.305 239 HA PHE 31 HA PHE 31 -0.002 -4.102 1.910 240 1HB PHE 31 HB2 PHE 31 1.378 -3.254 -0.621 241 2HB PHE 31 HB1 PHE 31 -0.087 -2.409 -0.128 242 HD1 PHE 31 HD1 PHE 31 0.072 -2.319 2.782 243 HD2 PHE 31 HD2 PHE 31 3.202 -1.883 -0.129 244 HE1 PHE 31 HE1 PHE 31 1.389 -0.981 4.399 245 HE2 PHE 31 HE2 PHE 31 4.519 -0.546 1.492 246 HZ PHE 31 HZ PHE 31 3.613 -0.095 3.755 247 H LYS 32 HN LYS 32 0.094 -5.664 -1.274 248 HA LYS 32 HA LYS 32 -2.653 -5.240 -1.993 249 1HB LYS 32 HB2 LYS 32 -0.851 -5.988 -3.527 250 2HB LYS 32 HB1 LYS 32 -0.742 -7.514 -2.650 251 1HG LYS 32 HG2 LYS 32 -3.255 -7.782 -3.166 252 2HG LYS 32 HG1 LYS 32 -3.022 -6.489 -4.343 253 1HD LYS 32 HD2 LYS 32 -1.945 -7.853 -5.796 254 2HD LYS 32 HD1 LYS 32 -0.958 -8.570 -4.522 255 1HE LYS 32 HE2 LYS 32 -3.815 -9.343 -4.430 256 2HE LYS 32 HE1 LYS 32 -2.923 -9.933 -5.847 257 1HZ LYS 32 HZ1 LYS 32 -2.671 -11.419 -3.924 258 2HZ LYS 32 HZ2 LYS 32 -1.986 -10.145 -3.033 259 3HZ LYS 32 HZ3 LYS 32 -1.189 -10.751 -4.405 260 H GLN 33 HN GLN 33 -1.003 -7.931 -0.309 261 HA GLN 33 HA GLN 33 -3.315 -9.553 0.143 262 1HB GLN 33 HB2 GLN 33 -0.760 -9.992 0.412 263 2HB GLN 33 HB1 GLN 33 -0.983 -9.335 2.033 264 1HG GLN 33 HG2 GLN 33 -2.662 -11.593 0.912 265 2HG GLN 33 HG1 GLN 33 -1.205 -11.856 1.869 266 1HE2 GLN 33 HE21 GLN 33 -4.493 -11.762 2.207 267 2HE2 GLN 33 HE22 GLN 33 -4.605 -11.238 3.818 268 H TYR 34 HN TYR 34 -1.968 -6.814 1.813 269 HA TYR 34 HA TYR 34 -3.563 -6.974 4.223 270 1HB TYR 34 HB2 TYR 34 -1.571 -5.703 4.321 271 2HB TYR 34 HB1 TYR 34 -1.881 -4.922 2.776 272 HD1 TYR 34 HD1 TYR 34 -2.819 -5.014 6.357 273 HD2 TYR 34 HD2 TYR 34 -3.199 -2.919 2.631 274 HE1 TYR 34 HE1 TYR 34 -3.822 -3.080 7.548 275 HE2 TYR 34 HE2 TYR 34 -4.199 -0.984 3.813 276 HH TYR 34 HH TYR 34 -5.239 -1.169 7.082 277 H ALA 35 HN ALA 35 -3.814 -4.894 1.310 278 HA ALA 35 HA ALA 35 -6.368 -3.753 1.959 279 1HB ALA 35 HB1 ALA 35 -6.242 -3.604 -0.738 280 2HB ALA 35 HB2 ALA 35 -4.563 -4.025 -0.400 281 3HB ALA 35 HB3 ALA 35 -5.270 -2.569 0.309 282 H ASN 36 HN ASN 36 -5.434 -6.607 0.045 283 HA ASN 36 HA ASN 36 -7.964 -7.314 -0.995 284 1HB ASN 36 HB2 ASN 36 -5.691 -8.255 -1.555 285 2HB ASN 36 HB1 ASN 36 -5.759 -9.165 -0.046 286 1HD2 ASN 36 HD21 ASN 36 -7.203 -8.873 -3.277 287 2HD2 ASN 36 HD22 ASN 36 -8.021 -10.359 -3.234 288 H ASP 37 HN ASP 37 -6.440 -8.181 2.108 289 HA ASP 37 HA ASP 37 -8.576 -9.901 3.025 290 1HB ASP 37 HB2 ASP 37 -6.021 -9.348 3.767 291 2HB ASP 37 HB1 ASP 37 -6.900 -8.410 4.974 292 H ASN 38 HN ASN 38 -7.696 -6.532 3.881 293 HA ASN 38 HA ASN 38 -9.984 -6.023 5.535 294 1HB ASN 38 HB2 ASN 38 -7.967 -4.385 4.009 295 2HB ASN 38 HB1 ASN 38 -9.306 -3.584 4.831 296 1HD2 ASN 38 HD21 ASN 38 -6.143 -4.423 5.325 297 2HD2 ASN 38 HD22 ASN 38 -6.156 -4.620 7.011 298 H GLY 39 HN GLY 39 -9.343 -5.165 2.114 299 1HA GLY 39 HA2 GLY 39 -11.290 -5.649 0.552 300 2HA GLY 39 HA1 GLY 39 -12.294 -4.835 1.752 301 H ILE 40 HN ILE 40 -9.203 -4.115 0.071 302 HA ILE 40 HA ILE 40 -10.334 -1.409 -0.562 303 HB ILE 40 HB ILE 40 -7.523 -2.213 0.259 304 1HG1 ILE 40 HG12 ILE 40 -9.601 -0.481 1.636 305 2HG1 ILE 40 HG11 ILE 40 -9.240 -2.150 2.072 306 1HG2 ILE 40 HG21 ILE 40 -8.697 0.356 -0.788 307 2HG2 ILE 40 HG22 ILE 40 -7.152 -0.399 -1.195 308 3HG2 ILE 40 HG23 ILE 40 -7.360 0.411 0.359 309 1HD1 ILE 40 HD11 ILE 40 -8.065 -0.208 3.378 310 2HD1 ILE 40 HD12 ILE 40 -7.022 -0.123 1.959 311 3HD1 ILE 40 HD13 ILE 40 -7.115 -1.615 2.896 312 H ASP 41 HN ASP 41 -10.900 -2.895 -2.558 313 HA ASP 41 HA ASP 41 -8.628 -3.308 -4.418 314 1HB ASP 41 HB2 ASP 41 -11.620 -3.819 -4.487 315 2HB ASP 41 HB1 ASP 41 -10.555 -4.178 -5.847 316 H GLY 42 HN GLY 42 -8.732 -0.667 -3.846 317 1HA GLY 42 HA2 GLY 42 -10.509 0.793 -5.650 318 2HA GLY 42 HA1 GLY 42 -9.262 1.488 -4.615 319 H GLU 43 HN GLU 43 -8.138 2.701 -6.053 320 HA GLU 43 HA GLU 43 -7.052 1.357 -8.455 321 1HB GLU 43 HB2 GLU 43 -6.896 3.643 -9.393 322 2HB GLU 43 HB1 GLU 43 -8.541 3.283 -8.877 323 1HG GLU 43 HG2 GLU 43 -7.308 4.367 -6.596 324 2HG GLU 43 HG1 GLU 43 -6.721 5.354 -7.931 325 H TRP 44 HN TRP 44 -5.020 0.665 -7.997 326 HA TRP 44 HA TRP 44 -3.407 1.932 -5.961 327 1HB TRP 44 HB2 TRP 44 -3.145 -0.397 -7.832 328 2HB TRP 44 HB1 TRP 44 -1.779 0.123 -6.838 329 HD1 TRP 44 HD1 TRP 44 -5.501 -0.809 -6.406 330 HE1 TRP 44 HE1 TRP 44 -5.791 -1.882 -4.077 331 HE3 TRP 44 HE3 TRP 44 -0.741 -0.336 -4.616 332 HZ2 TRP 44 HZ2 TRP 44 -4.215 -2.441 -1.764 333 HZ3 TRP 44 HZ3 TRP 44 -0.164 -1.149 -2.347 334 HH2 TRP 44 HH2 TRP 44 -1.896 -2.205 -0.920 335 H THR 45 HN THR 45 -1.574 3.097 -6.205 336 HA THR 45 HA THR 45 -0.386 3.606 -8.851 337 HB THR 45 HB THR 45 -0.661 6.145 -8.266 338 HG1 THR 45 HG1 THR 45 -2.675 6.460 -7.144 339 1HG2 THR 45 HG21 THR 45 -3.135 4.620 -9.106 340 2HG2 THR 45 HG22 THR 45 -1.740 4.854 -10.161 341 3HG2 THR 45 HG23 THR 45 -2.660 6.247 -9.593 342 H TYR 46 HN TYR 46 1.785 3.832 -8.529 343 HA TYR 46 HA TYR 46 2.741 4.113 -5.716 344 1HB TYR 46 HB2 TYR 46 3.398 2.073 -6.753 345 2HB TYR 46 HB1 TYR 46 3.754 2.864 -8.281 346 HD1 TYR 46 HD1 TYR 46 5.859 4.009 -8.651 347 HD2 TYR 46 HD2 TYR 46 4.982 2.200 -4.855 348 HE1 TYR 46 HE1 TYR 46 8.245 4.193 -8.012 349 HE2 TYR 46 HE2 TYR 46 7.364 2.385 -4.214 350 HH TYR 46 HH TYR 46 9.697 2.541 -5.854 351 H ASP 47 HN ASP 47 3.810 5.963 -5.152 352 HA ASP 47 HA ASP 47 4.545 7.916 -7.286 353 1HB ASP 47 HB2 ASP 47 4.025 8.073 -4.305 354 2HB ASP 47 HB1 ASP 47 4.621 9.444 -5.240 355 H ASP 48 HN ASP 48 6.677 7.968 -7.833 356 HA ASP 48 HA ASP 48 8.742 6.623 -6.298 357 1HB ASP 48 HB2 ASP 48 8.495 7.091 -8.844 358 2HB ASP 48 HB1 ASP 48 9.167 8.678 -8.468 359 H ALA 49 HN ALA 49 7.433 9.856 -6.272 360 HA ALA 49 HA ALA 49 9.583 11.434 -5.413 361 1HB ALA 49 HB1 ALA 49 7.387 12.315 -5.959 362 2HB ALA 49 HB2 ALA 49 7.760 12.765 -4.295 363 3HB ALA 49 HB3 ALA 49 6.658 11.427 -4.621 364 H THR 50 HN THR 50 7.469 9.322 -3.467 365 HA THR 50 HA THR 50 9.535 9.314 -1.317 366 HB THR 50 HB THR 50 7.739 9.776 0.342 367 HG1 THR 50 HG1 THR 50 5.717 10.050 -0.292 368 1HG2 THR 50 HG21 THR 50 7.795 11.870 -1.845 369 2HG2 THR 50 HG22 THR 50 9.106 11.620 -0.691 370 3HG2 THR 50 HG23 THR 50 7.518 12.137 -0.123 371 H LYS 51 HN LYS 51 8.109 7.397 -3.392 372 HA LYS 51 HA LYS 51 7.385 5.148 -3.427 373 1HB LYS 51 HB2 LYS 51 9.456 5.567 -1.419 374 2HB LYS 51 HB1 LYS 51 8.423 4.206 -0.984 375 1HG LYS 51 HG2 LYS 51 9.871 3.082 -2.361 376 2HG LYS 51 HG1 LYS 51 8.748 3.659 -3.592 377 1HD LYS 51 HD2 LYS 51 10.321 4.988 -4.527 378 2HD LYS 51 HD1 LYS 51 10.758 5.680 -2.967 379 1HE LYS 51 HE2 LYS 51 12.735 4.567 -3.736 380 2HE LYS 51 HE1 LYS 51 12.026 3.459 -2.544 381 1HZ LYS 51 HZ1 LYS 51 11.470 3.376 -5.462 382 2HZ LYS 51 HZ2 LYS 51 10.912 2.277 -4.292 383 3HZ LYS 51 HZ3 LYS 51 12.567 2.353 -4.670 384 H THR 52 HN THR 52 5.096 5.467 -3.144 385 HA THR 52 HA THR 52 4.079 4.525 -0.539 386 HB THR 52 HB THR 52 3.298 7.223 -1.681 387 HG1 THR 52 HG1 THR 52 4.459 7.976 0.180 388 1HG2 THR 52 HG21 THR 52 1.483 6.342 -0.416 389 2HG2 THR 52 HG22 THR 52 2.327 7.438 0.677 390 3HG2 THR 52 HG23 THR 52 2.562 5.696 0.820 391 H PHE 53 HN PHE 53 2.869 2.849 -1.414 392 HA PHE 53 HA PHE 53 1.464 2.921 -3.925 393 1HB PHE 53 HB2 PHE 53 1.161 1.277 -1.389 394 2HB PHE 53 HB1 PHE 53 0.309 0.910 -2.889 395 HD1 PHE 53 HD1 PHE 53 1.502 0.104 -4.860 396 HD2 PHE 53 HD2 PHE 53 3.589 1.002 -1.216 397 HE1 PHE 53 HE1 PHE 53 3.501 -1.092 -5.710 398 HE2 PHE 53 HE2 PHE 53 5.587 -0.194 -2.062 399 HZ PHE 53 HZ PHE 53 5.543 -1.241 -4.312 400 H THR 54 HN THR 54 -0.441 3.977 -4.390 401 HA THR 54 HA THR 54 -2.086 4.938 -2.061 402 HB THR 54 HB THR 54 -1.645 6.078 -4.836 403 HG1 THR 54 HG1 THR 54 0.151 6.471 -3.719 404 1HG2 THR 54 HG21 THR 54 -3.243 7.626 -4.421 405 2HG2 THR 54 HG22 THR 54 -2.720 7.833 -2.750 406 3HG2 THR 54 HG23 THR 54 -3.815 6.518 -3.174 407 H VAL 55 HN VAL 55 -3.802 3.442 -1.926 408 HA VAL 55 HA VAL 55 -5.285 2.829 -4.414 409 HB VAL 55 HB VAL 55 -4.479 0.909 -3.013 410 1HG1 VAL 55 HG11 VAL 55 -5.411 0.486 -0.845 411 2HG1 VAL 55 HG12 VAL 55 -6.512 1.863 -1.008 412 3HG1 VAL 55 HG13 VAL 55 -4.779 2.137 -0.819 413 1HG2 VAL 55 HG21 VAL 55 -6.559 0.815 -4.435 414 2HG2 VAL 55 HG22 VAL 55 -7.485 1.147 -2.971 415 3HG2 VAL 55 HG23 VAL 55 -6.529 -0.328 -3.093 416 H THR 56 HN THR 56 -7.725 2.775 -4.086 417 HA THR 56 HA THR 56 -8.853 4.454 -1.960 418 HB THR 56 HB THR 56 -8.696 5.304 -4.867 419 HG1 THR 56 HG1 THR 56 -6.948 6.198 -4.173 420 1HG2 THR 56 HG21 THR 56 -10.319 6.842 -4.491 421 2HG2 THR 56 HG22 THR 56 -9.672 7.254 -2.904 422 3HG2 THR 56 HG23 THR 56 -10.743 5.866 -3.085 423 H GLU 57 HN GLU 57 -10.534 3.026 -1.523 424 HA GLU 57 HA GLU 57 -11.893 1.497 -3.607 425 1HB GLU 57 HB2 GLU 57 -11.476 1.285 -0.901 426 2HB GLU 57 HB1 GLU 57 -13.154 1.825 -0.950 427 1HG GLU 57 HG2 GLU 57 -12.087 -0.497 -2.580 428 2HG GLU 57 HG1 GLU 57 -12.883 -0.681 -1.017 Start of MODEL 9 1 1H MET 1 HT1 MET 1 16.361 -0.457 5.290 2 2H MET 1 HT2 MET 1 17.290 -0.140 3.903 3 3H MET 1 HT3 MET 1 17.632 -1.497 4.868 4 HA MET 1 HA MET 1 16.478 -2.301 2.961 5 1HB MET 1 HB2 MET 1 15.747 -2.593 5.628 6 2HB MET 1 HB1 MET 1 14.208 -2.269 4.831 7 1HG MET 1 HG2 MET 1 14.345 -4.575 4.579 8 2HG MET 1 HG1 MET 1 15.100 -4.037 3.078 9 1HE MET 1 HE1 MET 1 15.458 -6.556 5.806 10 2HE MET 1 HE2 MET 1 15.499 -5.026 6.679 11 3HE MET 1 HE3 MET 1 16.910 -6.080 6.697 12 H THR 2 HN THR 2 14.139 -2.323 1.970 13 HA THR 2 HA THR 2 13.477 0.463 1.213 14 HB THR 2 HB THR 2 12.440 -2.221 0.243 15 HG1 THR 2 HG1 THR 2 14.257 -2.346 -0.763 16 1HG2 THR 2 HG21 THR 2 11.708 -0.987 -1.720 17 2HG2 THR 2 HG22 THR 2 12.404 0.503 -1.081 18 3HG2 THR 2 HG23 THR 2 11.016 -0.236 -0.280 19 H THR 3 HN THR 3 12.013 1.469 2.548 20 HA THR 3 HA THR 3 9.859 -0.120 3.794 21 HB THR 3 HB THR 3 10.715 2.716 4.376 22 HG1 THR 3 HG1 THR 3 12.264 1.941 5.632 23 1HG2 THR 3 HG21 THR 3 9.150 0.594 5.845 24 2HG2 THR 3 HG22 THR 3 8.646 2.233 5.430 25 3HG2 THR 3 HG23 THR 3 9.859 1.974 6.684 26 H PHE 4 HN PHE 4 8.142 -0.160 2.332 27 HA PHE 4 HA PHE 4 7.446 2.211 0.725 28 1HB PHE 4 HB2 PHE 4 6.314 -0.571 1.114 29 2HB PHE 4 HB1 PHE 4 5.586 0.604 0.021 30 HD1 PHE 4 HD1 PHE 4 8.212 -1.822 0.492 31 HD2 PHE 4 HD2 PHE 4 7.014 1.567 -1.858 32 HE1 PHE 4 HE1 PHE 4 9.850 -2.457 -1.255 33 HE2 PHE 4 HE2 PHE 4 8.657 0.933 -3.606 34 HZ PHE 4 HZ PHE 4 10.072 -1.079 -3.305 35 H LYS 5 HN LYS 5 4.892 2.668 0.763 36 HA LYS 5 HA LYS 5 3.786 2.575 3.524 37 1HB LYS 5 HB2 LYS 5 5.246 4.574 3.348 38 2HB LYS 5 HB1 LYS 5 4.314 5.120 1.955 39 1HG LYS 5 HG2 LYS 5 2.379 5.512 3.254 40 2HG LYS 5 HG1 LYS 5 2.978 4.534 4.595 41 1HD LYS 5 HD2 LYS 5 3.223 6.858 5.217 42 2HD LYS 5 HD1 LYS 5 4.833 6.217 4.890 43 1HE LYS 5 HE2 LYS 5 5.087 7.465 2.960 44 2HE LYS 5 HE1 LYS 5 3.348 7.452 2.601 45 1HZ LYS 5 HZ1 LYS 5 2.962 8.908 4.470 46 2HZ LYS 5 HZ2 LYS 5 4.094 9.625 3.425 47 3HZ LYS 5 HZ3 LYS 5 4.610 8.898 4.871 48 H LEU 6 HN LEU 6 1.811 1.644 3.037 49 HA LEU 6 HA LEU 6 0.372 2.376 0.558 50 1HB LEU 6 HB2 LEU 6 0.534 0.034 1.255 51 2HB LEU 6 HB1 LEU 6 -0.172 0.426 2.822 52 HG LEU 6 HG LEU 6 -2.242 1.204 1.632 53 1HD1 LEU 6 HD11 LEU 6 -0.730 0.105 -0.751 54 2HD1 LEU 6 HD12 LEU 6 -1.373 1.735 -0.544 55 3HD1 LEU 6 HD13 LEU 6 -2.474 0.374 -0.756 56 1HD2 LEU 6 HD21 LEU 6 -2.724 -1.265 0.715 57 2HD2 LEU 6 HD22 LEU 6 -2.596 -0.931 2.443 58 3HD2 LEU 6 HD23 LEU 6 -1.217 -1.602 1.568 59 H ILE 7 HN ILE 7 -1.056 4.079 0.583 60 HA ILE 7 HA ILE 7 -1.908 5.353 3.054 61 HB ILE 7 HB ILE 7 -1.517 6.232 0.577 62 1HG1 ILE 7 HG12 ILE 7 -3.203 8.091 1.071 63 2HG1 ILE 7 HG11 ILE 7 -3.635 7.171 2.510 64 1HG2 ILE 7 HG21 ILE 7 -4.492 6.096 0.375 65 2HG2 ILE 7 HG22 ILE 7 -3.571 4.673 -0.109 66 3HG2 ILE 7 HG23 ILE 7 -3.282 6.221 -0.901 67 1HD1 ILE 7 HD11 ILE 7 -1.748 9.013 2.635 68 2HD1 ILE 7 HD12 ILE 7 -0.742 7.730 1.962 69 3HD1 ILE 7 HD13 ILE 7 -1.559 7.492 3.507 70 H ILE 8 HN ILE 8 -4.378 5.624 3.493 71 HA ILE 8 HA ILE 8 -5.816 3.081 2.815 72 HB ILE 8 HB ILE 8 -5.703 4.540 5.475 73 1HG1 ILE 8 HG12 ILE 8 -4.562 1.828 4.736 74 2HG1 ILE 8 HG11 ILE 8 -3.601 3.307 4.759 75 1HG2 ILE 8 HG21 ILE 8 -7.081 2.828 6.342 76 2HG2 ILE 8 HG22 ILE 8 -6.816 1.787 4.944 77 3HG2 ILE 8 HG23 ILE 8 -7.827 3.224 4.794 78 1HD1 ILE 8 HD11 ILE 8 -4.551 3.596 7.174 79 2HD1 ILE 8 HD12 ILE 8 -3.245 2.441 6.909 80 3HD1 ILE 8 HD13 ILE 8 -4.908 1.873 7.059 81 H ASN 9 HN ASN 9 -6.728 4.697 1.128 82 HA ASN 9 HA ASN 9 -8.735 6.572 2.285 83 1HB ASN 9 HB2 ASN 9 -7.396 6.124 -0.361 84 2HB ASN 9 HB1 ASN 9 -8.946 6.959 -0.337 85 1HD2 ASN 9 HD21 ASN 9 -5.874 7.793 -0.611 86 2HD2 ASN 9 HD22 ASN 9 -5.799 9.175 0.371 87 H GLY 10 HN GLY 10 -9.350 3.957 2.829 88 1HA GLY 10 HA2 GLY 10 -11.373 3.155 0.784 89 2HA GLY 10 HA1 GLY 10 -10.677 2.070 1.992 90 H LYS 11 HN LYS 11 -13.438 2.260 1.728 91 HA LYS 11 HA LYS 11 -14.518 4.134 3.710 92 1HB LYS 11 HB2 LYS 11 -15.615 3.238 1.579 93 2HB LYS 11 HB1 LYS 11 -15.833 1.720 2.448 94 1HG LYS 11 HG2 LYS 11 -17.752 2.585 3.266 95 2HG LYS 11 HG1 LYS 11 -16.753 3.658 4.244 96 1HD LYS 11 HD2 LYS 11 -17.315 4.413 1.397 97 2HD LYS 11 HD1 LYS 11 -18.577 4.654 2.605 98 1HE LYS 11 HE2 LYS 11 -15.870 5.579 3.404 99 2HE LYS 11 HE1 LYS 11 -16.655 6.508 2.112 100 1HZ LYS 11 HZ1 LYS 11 -17.870 5.779 4.726 101 2HZ LYS 11 HZ2 LYS 11 -18.668 6.600 3.471 102 3HZ LYS 11 HZ3 LYS 11 -17.357 7.329 4.268 103 H THR 12 HN THR 12 -12.710 1.363 4.094 104 HA THR 12 HA THR 12 -14.255 0.452 6.490 105 HB THR 12 HB THR 12 -12.026 -0.986 5.036 106 HG1 THR 12 HG1 THR 12 -13.430 -1.662 3.590 107 1HG2 THR 12 HG21 THR 12 -13.197 -1.573 7.391 108 2HG2 THR 12 HG22 THR 12 -12.635 -2.815 6.273 109 3HG2 THR 12 HG23 THR 12 -14.339 -2.359 6.300 110 H LEU 13 HN LEU 13 -11.142 1.642 5.317 111 HA LEU 13 HA LEU 13 -10.245 1.890 8.170 112 1HB LEU 13 HB2 LEU 13 -8.788 0.789 5.757 113 2HB LEU 13 HB1 LEU 13 -7.948 1.275 7.229 114 HG LEU 13 HG LEU 13 -10.218 -0.729 7.158 115 1HD1 LEU 13 HD11 LEU 13 -8.073 -2.197 7.829 116 2HD1 LEU 13 HD12 LEU 13 -7.268 -0.998 6.816 117 3HD1 LEU 13 HD13 LEU 13 -8.571 -1.982 6.150 118 1HD2 LEU 13 HD21 LEU 13 -8.404 0.402 9.272 119 2HD2 LEU 13 HD22 LEU 13 -9.009 -1.247 9.442 120 3HD2 LEU 13 HD23 LEU 13 -10.141 0.102 9.341 121 H LYS 14 HN LYS 14 -8.438 3.516 8.371 122 HA LYS 14 HA LYS 14 -8.175 5.476 6.169 123 1HB LYS 14 HB2 LYS 14 -10.202 5.692 8.085 124 2HB LYS 14 HB1 LYS 14 -8.948 6.781 8.677 125 1HG LYS 14 HG2 LYS 14 -9.078 8.164 6.823 126 2HG LYS 14 HG1 LYS 14 -9.648 6.871 5.768 127 1HD LYS 14 HD2 LYS 14 -11.829 6.886 6.937 128 2HD LYS 14 HD1 LYS 14 -11.262 8.206 7.960 129 1HE LYS 14 HE2 LYS 14 -11.474 9.767 6.287 130 2HE LYS 14 HE1 LYS 14 -10.995 8.618 5.021 131 1HZ LYS 14 HZ1 LYS 14 -13.544 8.416 6.525 132 2HZ LYS 14 HZ2 LYS 14 -13.089 7.547 5.137 133 3HZ LYS 14 HZ3 LYS 14 -13.416 9.212 5.033 134 H GLY 15 HN GLY 15 -6.119 6.336 6.242 135 1HA GLY 15 HA2 GLY 15 -4.524 7.462 7.967 136 2HA GLY 15 HA1 GLY 15 -4.520 5.864 8.712 137 H GLU 16 HN GLU 16 -2.581 4.937 8.253 138 HA GLU 16 HA GLU 16 -1.829 4.498 5.440 139 1HB GLU 16 HB2 GLU 16 0.372 5.618 5.736 140 2HB GLU 16 HB1 GLU 16 -0.965 6.751 5.921 141 1HG GLU 16 HG2 GLU 16 -0.769 6.114 8.474 142 2HG GLU 16 HG1 GLU 16 0.862 5.622 8.019 143 H THR 17 HN THR 17 -0.232 2.829 5.233 144 HA THR 17 HA THR 17 0.457 1.391 7.778 145 HB THR 17 HB THR 17 -0.171 0.175 5.073 146 HG1 THR 17 HG1 THR 17 -2.221 -0.200 5.922 147 1HG2 THR 17 HG21 THR 17 1.161 -1.048 6.947 148 2HG2 THR 17 HG22 THR 17 -0.192 -1.888 6.189 149 3HG2 THR 17 HG23 THR 17 -0.396 -1.137 7.771 150 H THR 18 HN THR 18 2.510 0.256 7.719 151 HA THR 18 HA THR 18 4.292 0.878 5.398 152 HB THR 18 HB THR 18 6.023 1.433 7.243 153 HG1 THR 18 HG1 THR 18 5.172 1.967 9.203 154 1HG2 THR 18 HG21 THR 18 3.684 3.336 7.072 155 2HG2 THR 18 HG22 THR 18 4.764 3.053 5.707 156 3HG2 THR 18 HG23 THR 18 5.398 3.727 7.208 157 H THR 19 HN THR 19 6.015 -0.640 5.144 158 HA THR 19 HA THR 19 6.270 -2.875 7.068 159 HB THR 19 HB THR 19 4.364 -3.475 5.626 160 HG1 THR 19 HG1 THR 19 6.691 -4.893 4.853 161 1HG2 THR 19 HG21 THR 19 5.501 -2.026 3.681 162 2HG2 THR 19 HG22 THR 19 4.370 -3.332 3.328 163 3HG2 THR 19 HG23 THR 19 6.106 -3.614 3.209 164 H GLU 20 HN GLU 20 8.270 -3.967 6.831 165 HA GLU 20 HA GLU 20 10.328 -2.533 5.289 166 1HB GLU 20 HB2 GLU 20 10.122 -4.562 7.455 167 2HB GLU 20 HB1 GLU 20 11.584 -4.622 6.470 168 1HG GLU 20 HG2 GLU 20 12.085 -3.131 8.264 169 2HG GLU 20 HG1 GLU 20 11.780 -2.101 6.864 170 H ALA 21 HN ALA 21 10.521 -3.057 3.141 171 HA ALA 21 HA ALA 21 10.501 -5.963 2.394 172 1HB ALA 21 HB1 ALA 21 9.157 -3.565 1.129 173 2HB ALA 21 HB2 ALA 21 8.415 -5.077 1.652 174 3HB ALA 21 HB3 ALA 21 9.445 -5.049 0.220 175 H VAL 22 HN VAL 22 11.294 -5.824 -0.182 176 HA VAL 22 HA VAL 22 13.941 -4.430 -0.043 177 HB VAL 22 HB VAL 22 13.967 -6.894 -0.127 178 1HG1 VAL 22 HG11 VAL 22 12.310 -6.458 -2.621 179 2HG1 VAL 22 HG12 VAL 22 11.895 -7.417 -1.201 180 3HG1 VAL 22 HG13 VAL 22 13.161 -7.967 -2.298 181 1HG2 VAL 22 HG21 VAL 22 14.878 -5.419 -2.605 182 2HG2 VAL 22 HG22 VAL 22 15.258 -7.120 -2.337 183 3HG2 VAL 22 HG23 VAL 22 15.841 -5.898 -1.207 184 H ASP 23 HN ASP 23 11.004 -4.827 -1.932 185 HA ASP 23 HA ASP 23 11.532 -2.421 -3.476 186 1HB ASP 23 HB2 ASP 23 12.892 -4.562 -4.377 187 2HB ASP 23 HB1 ASP 23 11.362 -4.842 -5.208 188 H ALA 24 HN ALA 24 9.771 -2.249 -5.271 189 HA ALA 24 HA ALA 24 7.192 -2.525 -4.148 190 1HB ALA 24 HB1 ALA 24 8.034 -2.312 -7.054 191 2HB ALA 24 HB2 ALA 24 7.872 -0.953 -5.942 192 3HB ALA 24 HB3 ALA 24 6.449 -1.884 -6.410 193 H ALA 25 HN ALA 25 9.101 -4.768 -6.051 194 HA ALA 25 HA ALA 25 7.071 -6.493 -7.050 195 1HB ALA 25 HB1 ALA 25 9.136 -8.171 -6.600 196 2HB ALA 25 HB2 ALA 25 9.968 -6.634 -6.369 197 3HB ALA 25 HB3 ALA 25 9.158 -6.977 -7.897 198 H THR 26 HN THR 26 8.392 -6.148 -3.810 199 HA THR 26 HA THR 26 6.853 -8.556 -2.909 200 HB THR 26 HB THR 26 8.956 -7.005 -1.387 201 HG1 THR 26 HG1 THR 26 10.122 -7.598 -3.073 202 1HG2 THR 26 HG21 THR 26 7.837 -8.543 0.021 203 2HG2 THR 26 HG22 THR 26 9.299 -9.393 -0.479 204 3HG2 THR 26 HG23 THR 26 7.756 -9.769 -1.245 205 H ALA 27 HN ALA 27 7.329 -5.090 -2.392 206 HA ALA 27 HA ALA 27 5.809 -4.733 -0.012 207 1HB ALA 27 HB1 ALA 27 7.280 -3.164 -1.581 208 2HB ALA 27 HB2 ALA 27 6.033 -2.481 -0.538 209 3HB ALA 27 HB3 ALA 27 5.704 -2.745 -2.249 210 H GLU 28 HN GLU 28 4.727 -4.403 -3.418 211 HA GLU 28 HA GLU 28 1.964 -3.937 -2.886 212 1HB GLU 28 HB2 GLU 28 3.491 -3.884 -5.054 213 2HB GLU 28 HB1 GLU 28 2.895 -5.533 -5.254 214 1HG GLU 28 HG2 GLU 28 0.548 -4.581 -4.927 215 2HG GLU 28 HG1 GLU 28 1.276 -2.984 -5.106 216 H LYS 29 HN LYS 29 3.718 -7.014 -3.419 217 HA LYS 29 HA LYS 29 1.494 -8.783 -3.372 218 1HB LYS 29 HB2 LYS 29 4.383 -9.013 -2.506 219 2HB LYS 29 HB1 LYS 29 3.292 -10.399 -2.515 220 1HG LYS 29 HG2 LYS 29 2.778 -9.801 -4.948 221 2HG LYS 29 HG1 LYS 29 4.162 -8.711 -4.867 222 1HD LYS 29 HD2 LYS 29 5.209 -10.632 -5.628 223 2HD LYS 29 HD1 LYS 29 5.370 -10.863 -3.887 224 1HE LYS 29 HE2 LYS 29 4.389 -12.892 -4.308 225 2HE LYS 29 HE1 LYS 29 2.883 -11.954 -4.365 226 1HZ LYS 29 HZ1 LYS 29 3.132 -13.186 -6.409 227 2HZ LYS 29 HZ2 LYS 29 4.684 -12.540 -6.657 228 3HZ LYS 29 HZ3 LYS 29 3.318 -11.531 -6.731 229 H VAL 30 HN VAL 30 3.295 -7.282 -0.716 230 HA VAL 30 HA VAL 30 1.845 -8.794 1.355 231 HB VAL 30 HB VAL 30 3.830 -6.492 1.369 232 1HG1 VAL 30 HG11 VAL 30 4.112 -7.258 3.816 233 2HG1 VAL 30 HG12 VAL 30 2.546 -8.046 3.621 234 3HG1 VAL 30 HG13 VAL 30 2.681 -6.296 3.439 235 1HG2 VAL 30 HG21 VAL 30 5.324 -8.357 2.264 236 2HG2 VAL 30 HG22 VAL 30 4.862 -8.501 0.568 237 3HG2 VAL 30 HG23 VAL 30 4.052 -9.482 1.789 238 H PHE 31 HN PHE 31 2.035 -5.383 0.267 239 HA PHE 31 HA PHE 31 -0.005 -4.393 2.031 240 1HB PHE 31 HB2 PHE 31 1.427 -3.517 -0.441 241 2HB PHE 31 HB1 PHE 31 -0.041 -2.643 -0.009 242 HD1 PHE 31 HD1 PHE 31 3.282 -2.251 0.190 243 HD2 PHE 31 HD2 PHE 31 -0.052 -2.551 2.881 244 HE1 PHE 31 HE1 PHE 31 4.541 -0.972 1.899 245 HE2 PHE 31 HE2 PHE 31 1.209 -1.271 4.587 246 HZ PHE 31 HZ PHE 31 3.507 -0.481 4.097 247 H LYS 32 HN LYS 32 -0.123 -5.762 -1.248 248 HA LYS 32 HA LYS 32 -2.861 -5.124 -1.822 249 1HB LYS 32 HB2 LYS 32 -1.124 -5.906 -3.445 250 2HB LYS 32 HB1 LYS 32 -1.188 -7.504 -2.701 251 1HG LYS 32 HG2 LYS 32 -3.475 -7.813 -3.358 252 2HG LYS 32 HG1 LYS 32 -3.624 -6.126 -3.853 253 1HD LYS 32 HD2 LYS 32 -1.607 -7.978 -5.128 254 2HD LYS 32 HD1 LYS 32 -3.263 -7.859 -5.724 255 1HE LYS 32 HE2 LYS 32 -2.974 -5.417 -6.046 256 2HE LYS 32 HE1 LYS 32 -1.297 -5.553 -5.480 257 1HZ LYS 32 HZ1 LYS 32 -0.925 -7.236 -7.212 258 2HZ LYS 32 HZ2 LYS 32 -1.344 -5.727 -7.871 259 3HZ LYS 32 HZ3 LYS 32 -2.495 -6.975 -7.799 260 H GLN 33 HN GLN 33 -1.338 -8.032 -0.401 261 HA GLN 33 HA GLN 33 -3.707 -9.556 0.024 262 1HB GLN 33 HB2 GLN 33 -1.341 -10.348 0.175 263 2HB GLN 33 HB1 GLN 33 -1.165 -9.435 1.674 264 1HG GLN 33 HG2 GLN 33 -1.665 -11.719 2.273 265 2HG GLN 33 HG1 GLN 33 -3.106 -10.757 2.606 266 1HE2 GLN 33 HE21 GLN 33 -4.469 -12.701 2.316 267 2HE2 GLN 33 HE22 GLN 33 -4.785 -13.307 0.762 268 H TYR 34 HN TYR 34 -2.261 -6.951 1.822 269 HA TYR 34 HA TYR 34 -3.830 -7.220 4.245 270 1HB TYR 34 HB2 TYR 34 -1.834 -6.011 4.466 271 2HB TYR 34 HB1 TYR 34 -2.038 -5.194 2.922 272 HD1 TYR 34 HD1 TYR 34 -3.144 -5.293 6.454 273 HD2 TYR 34 HD2 TYR 34 -3.219 -3.109 2.762 274 HE1 TYR 34 HE1 TYR 34 -4.090 -3.325 7.639 275 HE2 TYR 34 HE2 TYR 34 -4.162 -1.141 3.935 276 HH TYR 34 HH TYR 34 -4.268 -0.226 6.194 277 H ALA 35 HN ALA 35 -4.047 -4.999 1.443 278 HA ALA 35 HA ALA 35 -6.530 -3.774 2.192 279 1HB ALA 35 HB1 ALA 35 -4.727 -3.968 -0.144 280 2HB ALA 35 HB2 ALA 35 -5.518 -2.548 0.547 281 3HB ALA 35 HB3 ALA 35 -6.408 -3.610 -0.545 282 H ASN 36 HN ASN 36 -5.779 -6.626 0.197 283 HA ASN 36 HA ASN 36 -8.335 -7.158 -0.867 284 1HB ASN 36 HB2 ASN 36 -5.923 -8.252 -1.103 285 2HB ASN 36 HB1 ASN 36 -6.574 -9.384 0.083 286 1HD2 ASN 36 HD21 ASN 36 -7.816 -11.071 -0.758 287 2HD2 ASN 36 HD22 ASN 36 -8.508 -11.087 -2.308 288 H ASP 37 HN ASP 37 -6.912 -8.265 2.219 289 HA ASP 37 HA ASP 37 -9.229 -9.760 3.084 290 1HB ASP 37 HB2 ASP 37 -6.646 -8.770 4.171 291 2HB ASP 37 HB1 ASP 37 -7.896 -9.118 5.367 292 H ASN 38 HN ASN 38 -7.996 -6.516 3.976 293 HA ASN 38 HA ASN 38 -10.153 -5.792 5.713 294 1HB ASN 38 HB2 ASN 38 -7.988 -4.433 4.161 295 2HB ASN 38 HB1 ASN 38 -9.277 -3.420 4.814 296 1HD2 ASN 38 HD21 ASN 38 -6.294 -4.795 5.597 297 2HD2 ASN 38 HD22 ASN 38 -6.410 -4.714 7.288 298 H GLY 39 HN GLY 39 -9.655 -5.252 2.220 299 1HA GLY 39 HA2 GLY 39 -11.674 -5.455 0.761 300 2HA GLY 39 HA1 GLY 39 -12.563 -4.582 2.009 301 H ILE 40 HN ILE 40 -9.371 -3.943 0.519 302 HA ILE 40 HA ILE 40 -10.408 -1.229 -0.233 303 HB ILE 40 HB ILE 40 -7.647 -2.143 0.641 304 1HG1 ILE 40 HG12 ILE 40 -9.679 -0.338 1.992 305 2HG1 ILE 40 HG11 ILE 40 -9.386 -2.020 2.429 306 1HG2 ILE 40 HG21 ILE 40 -7.315 0.430 0.731 307 2HG2 ILE 40 HG22 ILE 40 -8.714 0.510 -0.338 308 3HG2 ILE 40 HG23 ILE 40 -7.253 -0.339 -0.858 309 1HD1 ILE 40 HD11 ILE 40 -7.938 -1.054 3.922 310 2HD1 ILE 40 HD12 ILE 40 -7.712 0.387 2.931 311 3HD1 ILE 40 HD13 ILE 40 -6.851 -1.101 2.533 312 H ASP 41 HN ASP 41 -11.023 -2.453 -2.288 313 HA ASP 41 HA ASP 41 -8.719 -3.048 -4.086 314 1HB ASP 41 HB2 ASP 41 -10.874 -4.482 -3.686 315 2HB ASP 41 HB1 ASP 41 -11.659 -3.296 -4.728 316 H GLY 42 HN GLY 42 -9.167 -0.328 -3.289 317 1HA GLY 42 HA2 GLY 42 -10.731 1.171 -5.150 318 2HA GLY 42 HA1 GLY 42 -9.416 1.809 -4.163 319 H GLU 43 HN GLU 43 -8.282 2.970 -5.641 320 HA GLU 43 HA GLU 43 -7.364 1.598 -8.101 321 1HB GLU 43 HB2 GLU 43 -7.852 4.487 -7.357 322 2HB GLU 43 HB1 GLU 43 -6.958 4.040 -8.810 323 1HG GLU 43 HG2 GLU 43 -8.828 3.018 -9.801 324 2HG GLU 43 HG1 GLU 43 -9.668 2.846 -8.258 325 H TRP 44 HN TRP 44 -5.337 0.807 -7.745 326 HA TRP 44 HA TRP 44 -3.611 1.946 -5.724 327 1HB TRP 44 HB2 TRP 44 -3.534 -0.359 -7.638 328 2HB TRP 44 HB1 TRP 44 -2.099 0.077 -6.701 329 HD1 TRP 44 HD1 TRP 44 -5.844 -0.660 -6.105 330 HE1 TRP 44 HE1 TRP 44 -6.080 -1.754 -3.778 331 HE3 TRP 44 HE3 TRP 44 -0.985 -0.479 -4.546 332 HZ2 TRP 44 HZ2 TRP 44 -4.425 -2.434 -1.552 333 HZ3 TRP 44 HZ3 TRP 44 -0.343 -1.356 -2.319 334 HH2 TRP 44 HH2 TRP 44 -2.057 -2.338 -0.821 335 H THR 45 HN THR 45 -1.728 3.013 -5.988 336 HA THR 45 HA THR 45 -0.564 3.524 -8.640 337 HB THR 45 HB THR 45 -0.722 6.060 -8.019 338 HG1 THR 45 HG1 THR 45 -2.371 6.577 -6.677 339 1HG2 THR 45 HG21 THR 45 -2.583 6.271 -9.423 340 2HG2 THR 45 HG22 THR 45 -3.363 4.833 -8.765 341 3HG2 THR 45 HG23 THR 45 -1.974 4.669 -9.840 342 H TYR 46 HN TYR 46 1.622 3.644 -8.336 343 HA TYR 46 HA TYR 46 2.621 3.786 -5.533 344 1HB TYR 46 HB2 TYR 46 3.220 1.805 -6.733 345 2HB TYR 46 HB1 TYR 46 3.627 2.711 -8.184 346 HD1 TYR 46 HD1 TYR 46 5.808 3.579 -8.527 347 HD2 TYR 46 HD2 TYR 46 4.723 2.001 -4.682 348 HE1 TYR 46 HE1 TYR 46 8.182 3.661 -7.819 349 HE2 TYR 46 HE2 TYR 46 7.083 2.080 -3.979 350 HH TYR 46 HH TYR 46 9.620 2.386 -6.081 351 H ASP 47 HN ASP 47 3.710 5.587 -4.869 352 HA ASP 47 HA ASP 47 4.432 7.673 -6.872 353 1HB ASP 47 HB2 ASP 47 3.051 7.766 -4.534 354 2HB ASP 47 HB1 ASP 47 4.676 8.116 -3.942 355 H ASP 48 HN ASP 48 6.495 7.198 -7.627 356 HA ASP 48 HA ASP 48 8.578 5.928 -6.123 357 1HB ASP 48 HB2 ASP 48 9.977 6.713 -8.025 358 2HB ASP 48 HB1 ASP 48 8.453 6.019 -8.577 359 H ALA 49 HN ALA 49 7.480 9.244 -6.199 360 HA ALA 49 HA ALA 49 9.763 10.712 -5.514 361 1HB ALA 49 HB1 ALA 49 7.599 11.706 -5.999 362 2HB ALA 49 HB2 ALA 49 8.090 12.213 -4.382 363 3HB ALA 49 HB3 ALA 49 6.888 10.937 -4.579 364 H THR 50 HN THR 50 7.672 8.757 -3.404 365 HA THR 50 HA THR 50 9.824 8.732 -1.349 366 HB THR 50 HB THR 50 8.139 9.370 0.377 367 HG1 THR 50 HG1 THR 50 6.515 9.878 -1.892 368 1HG2 THR 50 HG21 THR 50 8.211 11.406 -1.859 369 2HG2 THR 50 HG22 THR 50 9.607 11.050 -0.841 370 3HG2 THR 50 HG23 THR 50 8.138 11.713 -0.123 371 H LYS 51 HN LYS 51 8.268 6.813 -3.264 372 HA LYS 51 HA LYS 51 7.399 4.620 -3.187 373 1HB LYS 51 HB2 LYS 51 9.551 5.000 -1.273 374 2HB LYS 51 HB1 LYS 51 8.447 3.745 -0.711 375 1HG LYS 51 HG2 LYS 51 9.742 2.430 -2.068 376 2HG LYS 51 HG1 LYS 51 8.630 3.028 -3.300 377 1HD LYS 51 HD2 LYS 51 10.193 4.442 -4.224 378 2HD LYS 51 HD1 LYS 51 10.998 4.728 -2.681 379 1HE LYS 51 HE2 LYS 51 11.171 1.936 -3.664 380 2HE LYS 51 HE1 LYS 51 12.050 3.138 -4.632 381 1HZ LYS 51 HZ1 LYS 51 13.100 3.974 -2.663 382 2HZ LYS 51 HZ2 LYS 51 13.355 2.296 -2.724 383 3HZ LYS 51 HZ3 LYS 51 12.190 2.944 -1.670 384 H THR 52 HN THR 52 5.147 5.152 -2.869 385 HA THR 52 HA THR 52 4.118 4.335 -0.223 386 HB THR 52 HB THR 52 3.598 7.060 -1.457 387 HG1 THR 52 HG1 THR 52 5.440 7.342 -0.452 388 1HG2 THR 52 HG21 THR 52 2.160 7.510 0.368 389 2HG2 THR 52 HG22 THR 52 2.719 6.099 1.265 390 3HG2 THR 52 HG23 THR 52 1.699 5.891 -0.159 391 H PHE 53 HN PHE 53 2.862 2.670 -1.103 392 HA PHE 53 HA PHE 53 1.428 2.749 -3.583 393 1HB PHE 53 HB2 PHE 53 1.061 1.217 -0.988 394 2HB PHE 53 HB1 PHE 53 0.143 0.859 -2.451 395 HD1 PHE 53 HD1 PHE 53 1.264 -0.013 -4.465 396 HD2 PHE 53 HD2 PHE 53 3.427 0.700 -0.823 397 HE1 PHE 53 HE1 PHE 53 3.151 -1.375 -5.319 398 HE2 PHE 53 HE2 PHE 53 5.315 -0.662 -1.675 399 HZ PHE 53 HZ PHE 53 5.176 -1.701 -3.926 400 H THR 54 HN THR 54 -0.518 3.766 -4.085 401 HA THR 54 HA THR 54 -2.041 4.935 -1.769 402 HB THR 54 HB THR 54 -1.629 6.012 -4.569 403 HG1 THR 54 HG1 THR 54 -0.170 7.372 -3.592 404 1HG2 THR 54 HG21 THR 54 -2.985 7.760 -4.022 405 2HG2 THR 54 HG22 THR 54 -2.461 7.768 -2.338 406 3HG2 THR 54 HG23 THR 54 -3.677 6.611 -2.878 407 H VAL 55 HN VAL 55 -3.765 3.403 -1.625 408 HA VAL 55 HA VAL 55 -5.368 2.958 -4.071 409 HB VAL 55 HB VAL 55 -4.616 0.961 -2.749 410 1HG1 VAL 55 HG11 VAL 55 -5.488 0.521 -0.566 411 2HG1 VAL 55 HG12 VAL 55 -6.548 1.937 -0.660 412 3HG1 VAL 55 HG13 VAL 55 -4.802 2.150 -0.514 413 1HG2 VAL 55 HG21 VAL 55 -6.732 -0.167 -2.797 414 2HG2 VAL 55 HG22 VAL 55 -6.735 1.008 -4.111 415 3HG2 VAL 55 HG23 VAL 55 -7.603 1.354 -2.616 416 H THR 56 HN THR 56 -7.796 3.025 -3.671 417 HA THR 56 HA THR 56 -8.768 4.693 -1.459 418 HB THR 56 HB THR 56 -8.643 5.626 -4.341 419 HG1 THR 56 HG1 THR 56 -7.281 7.196 -3.490 420 1HG2 THR 56 HG21 THR 56 -10.171 7.238 -3.880 421 2HG2 THR 56 HG22 THR 56 -9.475 7.558 -2.293 422 3HG2 THR 56 HG23 THR 56 -10.621 6.235 -2.501 423 H GLU 57 HN GLU 57 -10.546 3.399 -1.009 424 HA GLU 57 HA GLU 57 -12.049 2.024 -3.119 425 1HB GLU 57 HB2 GLU 57 -11.503 1.356 -0.645 426 2HB GLU 57 HB1 GLU 57 -12.899 2.358 -0.249 427 1HG GLU 57 HG2 GLU 57 -13.188 0.353 -2.449 428 2HG GLU 57 HG1 GLU 57 -13.182 -0.235 -0.786 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -17.080 1.453 4.683 2 2H MET 1 HT2 MET 1 -17.497 1.343 3.039 3 3H MET 1 HT3 MET 1 -17.828 2.765 3.909 4 HA MET 1 HA MET 1 -15.911 3.224 2.601 5 1HB MET 1 HB2 MET 1 -15.581 2.657 5.541 6 2HB MET 1 HB1 MET 1 -14.240 3.333 4.616 7 1HG MET 1 HG2 MET 1 -17.003 4.552 4.535 8 2HG MET 1 HG1 MET 1 -15.815 5.016 5.754 9 1HE MET 1 HE1 MET 1 -16.137 7.814 2.909 10 2HE MET 1 HE2 MET 1 -16.273 7.551 4.645 11 3HE MET 1 HE3 MET 1 -17.348 6.693 3.545 12 H THR 2 HN THR 2 -14.560 2.157 1.226 13 HA THR 2 HA THR 2 -13.909 -0.621 1.394 14 HB THR 2 HB THR 2 -12.531 1.669 -0.054 15 HG1 THR 2 HG1 THR 2 -13.976 1.245 -1.658 16 1HG2 THR 2 HG21 THR 2 -11.125 -0.304 -0.096 17 2HG2 THR 2 HG22 THR 2 -11.903 -0.144 -1.673 18 3HG2 THR 2 HG23 THR 2 -12.504 -1.326 -0.509 19 H THR 3 HN THR 3 -11.744 -1.561 1.775 20 HA THR 3 HA THR 3 -9.938 0.058 3.459 21 HB THR 3 HB THR 3 -10.969 -2.709 4.120 22 HG1 THR 3 HG1 THR 3 -12.625 -1.682 4.855 23 1HG2 THR 3 HG21 THR 3 -9.753 -0.888 6.136 24 2HG2 THR 3 HG22 THR 3 -8.661 -1.620 4.961 25 3HG2 THR 3 HG23 THR 3 -9.652 -2.644 5.999 26 H PHE 4 HN PHE 4 -8.106 -0.006 2.179 27 HA PHE 4 HA PHE 4 -7.355 -2.535 0.803 28 1HB PHE 4 HB2 PHE 4 -6.317 0.315 0.752 29 2HB PHE 4 HB1 PHE 4 -5.654 -0.985 -0.235 30 HD1 PHE 4 HD1 PHE 4 -7.051 -2.056 -1.994 31 HD2 PHE 4 HD2 PHE 4 -8.424 1.336 0.253 32 HE1 PHE 4 HE1 PHE 4 -8.825 -1.656 -3.681 33 HE2 PHE 4 HE2 PHE 4 -10.198 1.736 -1.430 34 HZ PHE 4 HZ PHE 4 -10.398 0.242 -3.397 35 H LYS 5 HN LYS 5 -4.929 -3.077 0.929 36 HA LYS 5 HA LYS 5 -3.744 -2.426 3.601 37 1HB LYS 5 HB2 LYS 5 -5.113 -4.572 3.540 38 2HB LYS 5 HB1 LYS 5 -3.921 -5.203 2.403 39 1HG LYS 5 HG2 LYS 5 -2.134 -4.841 4.058 40 2HG LYS 5 HG1 LYS 5 -3.315 -4.191 5.197 41 1HD LYS 5 HD2 LYS 5 -3.682 -6.932 4.001 42 2HD LYS 5 HD1 LYS 5 -2.658 -6.696 5.418 43 1HE LYS 5 HE2 LYS 5 -4.492 -5.823 6.709 44 2HE LYS 5 HE1 LYS 5 -5.527 -5.716 5.270 45 1HZ LYS 5 HZ1 LYS 5 -4.408 -8.187 6.481 46 2HZ LYS 5 HZ2 LYS 5 -5.209 -8.140 4.984 47 3HZ LYS 5 HZ3 LYS 5 -6.043 -7.742 6.410 48 H LEU 6 HN LEU 6 -1.715 -1.643 3.186 49 HA LEU 6 HA LEU 6 -0.303 -2.475 0.698 50 1HB LEU 6 HB2 LEU 6 -0.577 -0.085 1.140 51 2HB LEU 6 HB1 LEU 6 0.134 -0.270 2.742 52 HG LEU 6 HG LEU 6 2.249 -1.079 1.624 53 1HD1 LEU 6 HD11 LEU 6 0.644 -0.309 -0.815 54 2HD1 LEU 6 HD12 LEU 6 1.507 -1.816 -0.504 55 3HD1 LEU 6 HD13 LEU 6 2.408 -0.337 -0.837 56 1HD2 LEU 6 HD21 LEU 6 2.654 1.322 0.541 57 2HD2 LEU 6 HD22 LEU 6 2.482 1.128 2.287 58 3HD2 LEU 6 HD23 LEU 6 1.110 1.671 1.318 59 H ILE 7 HN ILE 7 1.221 -4.070 0.877 60 HA ILE 7 HA ILE 7 2.144 -5.069 3.441 61 HB ILE 7 HB ILE 7 1.853 -6.146 1.017 62 1HG1 ILE 7 HG12 ILE 7 3.554 -7.896 1.682 63 2HG1 ILE 7 HG11 ILE 7 4.019 -6.837 3.011 64 1HG2 ILE 7 HG21 ILE 7 3.766 -4.544 0.195 65 2HG2 ILE 7 HG22 ILE 7 3.718 -6.211 -0.374 66 3HG2 ILE 7 HG23 ILE 7 4.827 -5.753 0.917 67 1HD1 ILE 7 HD11 ILE 7 2.243 -8.644 3.508 68 2HD1 ILE 7 HD12 ILE 7 1.142 -7.632 2.572 69 3HD1 ILE 7 HD13 ILE 7 1.892 -6.998 4.037 70 H ILE 8 HN ILE 8 4.678 -5.158 3.815 71 HA ILE 8 HA ILE 8 5.891 -2.543 2.989 72 HB ILE 8 HB ILE 8 5.891 -3.842 5.739 73 1HG1 ILE 8 HG12 ILE 8 4.569 -1.272 4.813 74 2HG1 ILE 8 HG11 ILE 8 3.714 -2.804 4.994 75 1HG2 ILE 8 HG21 ILE 8 7.943 -2.630 5.455 76 2HG2 ILE 8 HG22 ILE 8 6.871 -1.583 6.385 77 3HG2 ILE 8 HG23 ILE 8 7.116 -1.290 4.663 78 1HD1 ILE 8 HD11 ILE 8 3.331 -1.928 7.093 79 2HD1 ILE 8 HD12 ILE 8 4.827 -0.995 7.091 80 3HD1 ILE 8 HD13 ILE 8 4.870 -2.730 7.403 81 H ASN 9 HN ASN 9 6.884 -4.222 1.405 82 HA ASN 9 HA ASN 9 9.044 -5.852 2.647 83 1HB ASN 9 HB2 ASN 9 7.410 -5.858 0.210 84 2HB ASN 9 HB1 ASN 9 9.120 -6.120 -0.134 85 1HD2 ASN 9 HD21 ASN 9 6.874 -8.118 -0.247 86 2HD2 ASN 9 HD22 ASN 9 7.323 -9.363 0.815 87 H GLY 10 HN GLY 10 9.414 -3.129 2.962 88 1HA GLY 10 HA2 GLY 10 11.335 -2.321 0.837 89 2HA GLY 10 HA1 GLY 10 10.603 -1.227 2.011 90 H LYS 11 HN LYS 11 13.410 -1.425 1.523 91 HA LYS 11 HA LYS 11 14.705 -3.022 3.578 92 1HB LYS 11 HB2 LYS 11 15.705 -2.201 1.424 93 2HB LYS 11 HB1 LYS 11 15.668 -0.565 2.080 94 1HG LYS 11 HG2 LYS 11 17.088 -1.316 3.976 95 2HG LYS 11 HG1 LYS 11 17.171 -2.923 3.254 96 1HD LYS 11 HD2 LYS 11 18.555 -2.237 1.542 97 2HD LYS 11 HD1 LYS 11 17.899 -0.600 1.528 98 1HE LYS 11 HE2 LYS 11 19.330 -1.391 4.014 99 2HE LYS 11 HE1 LYS 11 20.333 -1.168 2.566 100 1HZ LYS 11 HZ1 LYS 11 19.427 0.975 2.212 101 2HZ LYS 11 HZ2 LYS 11 19.867 0.917 3.852 102 3HZ LYS 11 HZ3 LYS 11 18.237 0.758 3.400 103 H THR 12 HN THR 12 12.838 -0.162 3.752 104 HA THR 12 HA THR 12 14.326 0.939 6.077 105 HB THR 12 HB THR 12 11.856 1.881 4.582 106 HG1 THR 12 HG1 THR 12 13.244 3.103 3.415 107 1HG2 THR 12 HG21 THR 12 12.003 2.838 6.821 108 2HG2 THR 12 HG22 THR 12 12.424 4.069 5.630 109 3HG2 THR 12 HG23 THR 12 13.693 3.266 6.555 110 H LEU 13 HN LEU 13 11.274 -0.670 5.247 111 HA LEU 13 HA LEU 13 10.741 -1.000 8.179 112 1HB LEU 13 HB2 LEU 13 8.928 -0.023 5.965 113 2HB LEU 13 HB1 LEU 13 8.287 -0.650 7.485 114 HG LEU 13 HG LEU 13 10.366 1.543 7.394 115 1HD1 LEU 13 HD11 LEU 13 7.465 2.100 7.897 116 2HD1 LEU 13 HD12 LEU 13 8.022 1.960 6.229 117 3HD1 LEU 13 HD13 LEU 13 8.723 3.179 7.293 118 1HD2 LEU 13 HD21 LEU 13 8.350 1.257 9.563 119 2HD2 LEU 13 HD22 LEU 13 10.061 1.671 9.665 120 3HD2 LEU 13 HD23 LEU 13 9.571 -0.011 9.466 121 H LYS 14 HN LYS 14 8.928 -2.727 8.448 122 HA LYS 14 HA LYS 14 8.844 -4.769 6.303 123 1HB LYS 14 HB2 LYS 14 10.529 -4.829 8.729 124 2HB LYS 14 HB1 LYS 14 9.589 -6.297 8.462 125 1HG LYS 14 HG2 LYS 14 10.450 -6.216 6.043 126 2HG LYS 14 HG1 LYS 14 11.614 -5.021 6.619 127 1HD LYS 14 HD2 LYS 14 11.331 -7.562 8.169 128 2HD LYS 14 HD1 LYS 14 12.195 -7.621 6.632 129 1HE LYS 14 HE2 LYS 14 13.990 -6.495 7.476 130 2HE LYS 14 HE1 LYS 14 12.962 -5.336 8.342 131 1HZ LYS 14 HZ1 LYS 14 14.199 -6.892 9.822 132 2HZ LYS 14 HZ2 LYS 14 13.301 -8.171 9.158 133 3HZ LYS 14 HZ3 LYS 14 12.516 -6.939 10.025 134 H GLY 15 HN GLY 15 6.803 -5.646 6.325 135 1HA GLY 15 HA2 GLY 15 5.234 -6.887 7.985 136 2HA GLY 15 HA1 GLY 15 5.171 -5.325 8.800 137 H GLU 16 HN GLU 16 3.005 -4.836 8.413 138 HA GLU 16 HA GLU 16 2.331 -4.120 5.607 139 1HB GLU 16 HB2 GLU 16 0.191 -5.379 5.808 140 2HB GLU 16 HB1 GLU 16 1.590 -6.444 5.931 141 1HG GLU 16 HG2 GLU 16 1.417 -6.345 8.412 142 2HG GLU 16 HG1 GLU 16 -0.032 -5.351 8.251 143 H THR 17 HN THR 17 -0.083 -3.144 5.741 144 HA THR 17 HA THR 17 -0.724 -1.788 8.261 145 HB THR 17 HB THR 17 1.193 -0.485 7.444 146 HG1 THR 17 HG1 THR 17 -0.349 0.759 8.394 147 1HG2 THR 17 HG21 THR 17 0.850 0.778 5.240 148 2HG2 THR 17 HG22 THR 17 -0.437 -0.380 4.902 149 3HG2 THR 17 HG23 THR 17 1.222 -0.941 5.108 150 H THR 18 HN THR 18 -2.719 -0.499 8.042 151 HA THR 18 HA THR 18 -4.250 -1.012 5.517 152 HB THR 18 HB THR 18 -6.190 -1.523 7.077 153 HG1 THR 18 HG1 THR 18 -5.579 -0.737 8.992 154 1HG2 THR 18 HG21 THR 18 -5.260 -3.797 7.721 155 2HG2 THR 18 HG22 THR 18 -3.703 -3.245 7.104 156 3HG2 THR 18 HG23 THR 18 -5.087 -3.371 6.019 157 H THR 19 HN THR 19 -5.996 0.536 5.172 158 HA THR 19 HA THR 19 -6.002 2.939 6.942 159 HB THR 19 HB THR 19 -4.337 3.307 5.169 160 HG1 THR 19 HG1 THR 19 -5.080 5.246 4.740 161 1HG2 THR 19 HG21 THR 19 -4.841 3.124 2.847 162 2HG2 THR 19 HG22 THR 19 -6.570 2.971 3.160 163 3HG2 THR 19 HG23 THR 19 -5.478 1.652 3.581 164 H GLU 20 HN GLU 20 -7.718 4.553 5.676 165 HA GLU 20 HA GLU 20 -10.143 2.872 5.111 166 1HB GLU 20 HB2 GLU 20 -9.661 5.345 6.770 167 2HB GLU 20 HB1 GLU 20 -11.277 4.974 6.168 168 1HG GLU 20 HG2 GLU 20 -9.578 3.045 7.774 169 2HG GLU 20 HG1 GLU 20 -10.843 4.063 8.464 170 H ALA 21 HN ALA 21 -10.221 3.065 2.855 171 HA ALA 21 HA ALA 21 -10.382 5.856 1.760 172 1HB ALA 21 HB1 ALA 21 -8.387 4.057 1.302 173 2HB ALA 21 HB2 ALA 21 -8.881 5.273 0.124 174 3HB ALA 21 HB3 ALA 21 -9.503 3.626 0.005 175 H VAL 22 HN VAL 22 -11.609 5.828 -0.404 176 HA VAL 22 HA VAL 22 -14.108 4.301 -0.053 177 HB VAL 22 HB VAL 22 -14.107 6.712 -0.582 178 1HG1 VAL 22 HG11 VAL 22 -12.137 7.065 -1.848 179 2HG1 VAL 22 HG12 VAL 22 -13.444 7.302 -3.006 180 3HG1 VAL 22 HG13 VAL 22 -12.543 5.790 -2.995 181 1HG2 VAL 22 HG21 VAL 22 -15.892 6.598 -2.047 182 2HG2 VAL 22 HG22 VAL 22 -15.773 4.896 -1.600 183 3HG2 VAL 22 HG23 VAL 22 -15.075 5.460 -3.119 184 H ASP 23 HN ASP 23 -11.258 4.288 -2.104 185 HA ASP 23 HA ASP 23 -11.791 1.645 -3.135 186 1HB ASP 23 HB2 ASP 23 -13.420 3.346 -4.316 187 2HB ASP 23 HB1 ASP 23 -11.985 3.789 -5.240 188 H ALA 24 HN ALA 24 -10.216 1.356 -5.201 189 HA ALA 24 HA ALA 24 -7.559 1.739 -4.373 190 1HB ALA 24 HB1 ALA 24 -7.094 0.634 -6.335 191 2HB ALA 24 HB2 ALA 24 -8.140 1.687 -7.288 192 3HB ALA 24 HB3 ALA 24 -8.840 0.384 -6.327 193 H ALA 25 HN ALA 25 -9.682 3.931 -6.099 194 HA ALA 25 HA ALA 25 -7.778 5.675 -7.304 195 1HB ALA 25 HB1 ALA 25 -9.645 7.193 -7.434 196 2HB ALA 25 HB2 ALA 25 -10.427 6.439 -6.045 197 3HB ALA 25 HB3 ALA 25 -10.307 5.564 -7.571 198 H THR 26 HN THR 26 -8.782 5.332 -3.958 199 HA THR 26 HA THR 26 -7.191 7.767 -3.229 200 HB THR 26 HB THR 26 -9.236 6.286 -1.559 201 HG1 THR 26 HG1 THR 26 -9.655 8.510 -3.265 202 1HG2 THR 26 HG21 THR 26 -8.671 9.223 -1.455 203 2HG2 THR 26 HG22 THR 26 -7.514 8.114 -0.719 204 3HG2 THR 26 HG23 THR 26 -9.188 8.137 -0.166 205 H ALA 27 HN ALA 27 -7.550 4.306 -2.764 206 HA ALA 27 HA ALA 27 -6.012 3.905 -0.405 207 1HB ALA 27 HB1 ALA 27 -6.155 1.678 -1.033 208 2HB ALA 27 HB2 ALA 27 -5.786 2.028 -2.722 209 3HB ALA 27 HB3 ALA 27 -7.398 2.353 -2.088 210 H GLU 28 HN GLU 28 -4.873 3.594 -3.796 211 HA GLU 28 HA GLU 28 -2.087 3.391 -3.195 212 1HB GLU 28 HB2 GLU 28 -3.335 2.891 -5.354 213 2HB GLU 28 HB1 GLU 28 -3.371 4.630 -5.649 214 1HG GLU 28 HG2 GLU 28 -0.846 4.619 -5.387 215 2HG GLU 28 HG1 GLU 28 -0.930 2.857 -5.402 216 H LYS 29 HN LYS 29 -4.117 6.248 -3.899 217 HA LYS 29 HA LYS 29 -2.088 8.229 -3.994 218 1HB LYS 29 HB2 LYS 29 -4.959 8.230 -3.033 219 2HB LYS 29 HB1 LYS 29 -4.012 9.708 -3.199 220 1HG LYS 29 HG2 LYS 29 -3.513 8.788 -5.608 221 2HG LYS 29 HG1 LYS 29 -4.966 7.827 -5.336 222 1HD LYS 29 HD2 LYS 29 -5.941 9.718 -6.229 223 2HD LYS 29 HD1 LYS 29 -5.923 10.186 -4.528 224 1HE LYS 29 HE2 LYS 29 -3.653 11.260 -4.954 225 2HE LYS 29 HE1 LYS 29 -3.954 11.005 -6.684 226 1HZ LYS 29 HZ1 LYS 29 -4.798 13.156 -6.034 227 2HZ LYS 29 HZ2 LYS 29 -5.720 12.461 -4.787 228 3HZ LYS 29 HZ3 LYS 29 -6.099 12.136 -6.411 229 H VAL 30 HN VAL 30 -3.752 6.795 -1.199 230 HA VAL 30 HA VAL 30 -2.364 8.516 0.736 231 HB VAL 30 HB VAL 30 -4.118 6.045 0.979 232 1HG1 VAL 30 HG11 VAL 30 -2.903 6.202 3.023 233 2HG1 VAL 30 HG12 VAL 30 -4.451 6.987 3.343 234 3HG1 VAL 30 HG13 VAL 30 -3.014 7.963 3.040 235 1HG2 VAL 30 HG21 VAL 30 -4.887 8.891 1.607 236 2HG2 VAL 30 HG22 VAL 30 -5.935 7.518 1.251 237 3HG2 VAL 30 HG23 VAL 30 -5.002 8.273 -0.041 238 H PHE 31 HN PHE 31 -2.300 5.036 -0.134 239 HA PHE 31 HA PHE 31 -0.166 4.319 1.643 240 1HB PHE 31 HB2 PHE 31 -1.489 3.187 -0.800 241 2HB PHE 31 HB1 PHE 31 0.001 2.436 -0.229 242 HD1 PHE 31 HD1 PHE 31 -3.321 1.906 -0.129 243 HD2 PHE 31 HD2 PHE 31 -0.105 2.558 2.643 244 HE1 PHE 31 HE1 PHE 31 -4.594 0.715 1.634 245 HE2 PHE 31 HE2 PHE 31 -1.380 1.367 4.403 246 HZ PHE 31 HZ PHE 31 -3.625 0.446 3.899 247 H LYS 32 HN LYS 32 -0.187 5.621 -1.653 248 HA LYS 32 HA LYS 32 2.582 5.145 -2.266 249 1HB LYS 32 HB2 LYS 32 0.812 5.771 -3.899 250 2HB LYS 32 HB1 LYS 32 0.705 7.366 -3.154 251 1HG LYS 32 HG2 LYS 32 3.324 7.375 -3.608 252 2HG LYS 32 HG1 LYS 32 2.879 6.207 -4.853 253 1HD LYS 32 HD2 LYS 32 1.173 7.843 -5.694 254 2HD LYS 32 HD1 LYS 32 1.795 9.020 -4.537 255 1HE LYS 32 HE2 LYS 32 4.124 8.269 -5.714 256 2HE LYS 32 HE1 LYS 32 3.003 8.059 -7.074 257 1HZ LYS 32 HZ1 LYS 32 3.666 10.332 -7.050 258 2HZ LYS 32 HZ2 LYS 32 3.350 10.478 -5.387 259 3HZ LYS 32 HZ3 LYS 32 2.069 10.275 -6.484 260 H GLN 33 HN GLN 33 0.869 7.938 -0.841 261 HA GLN 33 HA GLN 33 3.157 9.612 -0.447 262 1HB GLN 33 HB2 GLN 33 0.783 10.334 -0.350 263 2HB GLN 33 HB1 GLN 33 0.565 9.381 1.115 264 1HG GLN 33 HG2 GLN 33 0.948 11.733 1.697 265 2HG GLN 33 HG1 GLN 33 2.301 10.746 2.247 266 1HE2 GLN 33 HE21 GLN 33 1.614 11.968 -1.075 267 2HE2 GLN 33 HE22 GLN 33 3.062 12.840 -1.212 268 H TYR 34 HN TYR 34 1.747 7.021 1.408 269 HA TYR 34 HA TYR 34 3.248 7.358 3.849 270 1HB TYR 34 HB2 TYR 34 1.316 6.013 3.970 271 2HB TYR 34 HB1 TYR 34 1.676 5.187 2.459 272 HD1 TYR 34 HD1 TYR 34 2.519 5.422 6.051 273 HD2 TYR 34 HD2 TYR 34 3.088 3.235 2.404 274 HE1 TYR 34 HE1 TYR 34 3.567 3.566 7.328 275 HE2 TYR 34 HE2 TYR 34 4.136 1.380 3.670 276 HH TYR 34 HH TYR 34 5.047 1.704 6.981 277 H ALA 35 HN ALA 35 3.697 5.206 1.028 278 HA ALA 35 HA ALA 35 6.253 4.159 1.852 279 1HB ALA 35 HB1 ALA 35 4.461 4.163 -0.505 280 2HB ALA 35 HB2 ALA 35 5.328 2.817 0.243 281 3HB ALA 35 HB3 ALA 35 6.166 3.899 -0.872 282 H ASN 36 HN ASN 36 5.314 6.813 -0.342 283 HA ASN 36 HA ASN 36 7.857 7.532 -1.324 284 1HB ASN 36 HB2 ASN 36 5.520 8.347 -1.965 285 2HB ASN 36 HB1 ASN 36 5.630 9.444 -0.588 286 1HD2 ASN 36 HD21 ASN 36 5.835 9.710 -3.759 287 2HD2 ASN 36 HD22 ASN 36 7.151 10.767 -3.939 288 H ASP 37 HN ASP 37 6.260 8.395 1.719 289 HA ASP 37 HA ASP 37 8.091 10.411 2.606 290 1HB ASP 37 HB2 ASP 37 5.781 9.733 3.489 291 2HB ASP 37 HB1 ASP 37 6.599 8.416 4.329 292 H ASN 38 HN ASN 38 7.907 6.978 3.635 293 HA ASN 38 HA ASN 38 10.469 6.992 4.963 294 1HB ASN 38 HB2 ASN 38 8.622 4.842 3.893 295 2HB ASN 38 HB1 ASN 38 10.083 4.468 4.808 296 1HD2 ASN 38 HD21 ASN 38 6.768 5.282 5.118 297 2HD2 ASN 38 HD22 ASN 38 6.768 5.617 6.782 298 H GLY 39 HN GLY 39 9.420 5.739 1.777 299 1HA GLY 39 HA2 GLY 39 11.039 6.252 -0.111 300 2HA GLY 39 HA1 GLY 39 12.301 5.664 0.972 301 H ILE 40 HN ILE 40 9.106 4.488 -0.171 302 HA ILE 40 HA ILE 40 10.380 1.800 -0.565 303 HB ILE 40 HB ILE 40 7.535 2.615 0.106 304 1HG1 ILE 40 HG12 ILE 40 9.620 1.112 1.718 305 2HG1 ILE 40 HG11 ILE 40 9.210 2.812 1.945 306 1HG2 ILE 40 HG21 ILE 40 8.764 0.002 -0.691 307 2HG2 ILE 40 HG22 ILE 40 7.164 0.643 -1.070 308 3HG2 ILE 40 HG23 ILE 40 7.497 -0.011 0.534 309 1HD1 ILE 40 HD11 ILE 40 6.901 0.958 1.956 310 2HD1 ILE 40 HD12 ILE 40 7.250 2.329 3.010 311 3HD1 ILE 40 HD13 ILE 40 8.020 0.770 3.307 312 H ASP 41 HN ASP 41 10.891 3.187 -2.716 313 HA ASP 41 HA ASP 41 8.650 3.229 -4.641 314 1HB ASP 41 HB2 ASP 41 11.599 3.915 -4.665 315 2HB ASP 41 HB1 ASP 41 10.630 3.956 -6.138 316 H GLY 42 HN GLY 42 8.774 0.684 -3.837 317 1HA GLY 42 HA2 GLY 42 10.671 -0.906 -5.402 318 2HA GLY 42 HA1 GLY 42 9.399 -1.530 -4.350 319 H GLU 43 HN GLU 43 8.299 -2.882 -5.683 320 HA GLU 43 HA GLU 43 7.266 -1.777 -8.229 321 1HB GLU 43 HB2 GLU 43 7.198 -4.192 -8.948 322 2HB GLU 43 HB1 GLU 43 8.823 -3.611 -8.596 323 1HG GLU 43 HG2 GLU 43 7.590 -4.648 -6.181 324 2HG GLU 43 HG1 GLU 43 7.530 -5.855 -7.462 325 H TRP 44 HN TRP 44 5.307 -1.006 -7.535 326 HA TRP 44 HA TRP 44 3.664 -2.262 -5.578 327 1HB TRP 44 HB2 TRP 44 3.313 -0.117 -7.649 328 2HB TRP 44 HB1 TRP 44 1.967 -0.615 -6.616 329 HD1 TRP 44 HD1 TRP 44 5.666 0.443 -6.214 330 HE1 TRP 44 HE1 TRP 44 5.878 1.750 -3.997 331 HE3 TRP 44 HE3 TRP 44 0.861 0.098 -4.515 332 HZ2 TRP 44 HZ2 TRP 44 4.233 2.513 -1.793 333 HZ3 TRP 44 HZ3 TRP 44 0.211 1.126 -2.356 334 HH2 TRP 44 HH2 TRP 44 1.890 2.340 -0.994 335 H THR 45 HN THR 45 1.905 -3.532 -5.739 336 HA THR 45 HA THR 45 0.772 -4.327 -8.341 337 HB THR 45 HB THR 45 1.138 -6.781 -7.538 338 HG1 THR 45 HG1 THR 45 2.977 -7.009 -6.245 339 1HG2 THR 45 HG21 THR 45 3.714 -5.467 -8.321 340 2HG2 THR 45 HG22 THR 45 2.335 -5.364 -9.416 341 3HG2 THR 45 HG23 THR 45 2.975 -6.940 -8.950 342 H TYR 46 HN TYR 46 -1.399 -4.589 -8.006 343 HA TYR 46 HA TYR 46 -2.369 -4.611 -5.190 344 1HB TYR 46 HB2 TYR 46 -3.159 -2.777 -6.491 345 2HB TYR 46 HB1 TYR 46 -3.455 -3.792 -7.896 346 HD1 TYR 46 HD1 TYR 46 -4.825 -2.496 -4.774 347 HD2 TYR 46 HD2 TYR 46 -5.375 -5.398 -7.892 348 HE1 TYR 46 HE1 TYR 46 -7.184 -2.778 -4.092 349 HE2 TYR 46 HE2 TYR 46 -7.738 -5.687 -7.206 350 HH TYR 46 HH TYR 46 -9.470 -4.406 -6.024 351 H ASP 47 HN ASP 47 -3.599 -6.305 -4.416 352 HA ASP 47 HA ASP 47 -4.001 -8.659 -6.217 353 1HB ASP 47 HB2 ASP 47 -3.843 -8.317 -3.204 354 2HB ASP 47 HB1 ASP 47 -4.128 -9.860 -4.009 355 H ASP 48 HN ASP 48 -6.050 -8.370 -7.103 356 HA ASP 48 HA ASP 48 -8.284 -7.121 -5.824 357 1HB ASP 48 HB2 ASP 48 -7.721 -7.846 -8.309 358 2HB ASP 48 HB1 ASP 48 -8.594 -9.309 -7.854 359 H ALA 49 HN ALA 49 -6.964 -10.344 -5.523 360 HA ALA 49 HA ALA 49 -9.178 -11.879 -4.755 361 1HB ALA 49 HB1 ALA 49 -6.282 -11.813 -3.903 362 2HB ALA 49 HB2 ALA 49 -7.054 -12.904 -5.054 363 3HB ALA 49 HB3 ALA 49 -7.384 -13.064 -3.330 364 H THR 50 HN THR 50 -7.242 -9.630 -2.782 365 HA THR 50 HA THR 50 -9.458 -9.519 -0.800 366 HB THR 50 HB THR 50 -7.817 -9.945 1.026 367 HG1 THR 50 HG1 THR 50 -5.777 -10.823 0.312 368 1HG2 THR 50 HG21 THR 50 -9.154 -11.792 -0.097 369 2HG2 THR 50 HG22 THR 50 -7.682 -12.319 0.720 370 3HG2 THR 50 HG23 THR 50 -7.706 -12.157 -1.036 371 H LYS 51 HN LYS 51 -7.967 -7.691 -2.823 372 HA LYS 51 HA LYS 51 -7.203 -5.455 -2.907 373 1HB LYS 51 HB2 LYS 51 -9.344 -5.786 -0.994 374 2HB LYS 51 HB1 LYS 51 -8.266 -4.507 -0.438 375 1HG LYS 51 HG2 LYS 51 -9.467 -3.187 -1.848 376 2HG LYS 51 HG1 LYS 51 -8.457 -3.908 -3.102 377 1HD LYS 51 HD2 LYS 51 -10.716 -4.179 -3.843 378 2HD LYS 51 HD1 LYS 51 -10.205 -5.763 -3.258 379 1HE LYS 51 HE2 LYS 51 -11.568 -5.659 -1.379 380 2HE LYS 51 HE1 LYS 51 -11.515 -3.886 -1.314 381 1HZ LYS 51 HZ1 LYS 51 -12.890 -5.524 -3.380 382 2HZ LYS 51 HZ2 LYS 51 -12.774 -3.829 -3.396 383 3HZ LYS 51 HZ3 LYS 51 -13.647 -4.611 -2.167 384 H THR 52 HN THR 52 -4.920 -5.864 -2.582 385 HA THR 52 HA THR 52 -3.914 -4.876 0.023 386 HB THR 52 HB THR 52 -3.162 -7.583 -1.119 387 HG1 THR 52 HG1 THR 52 -4.990 -8.084 -0.212 388 1HG2 THR 52 HG21 THR 52 -2.326 -5.999 1.301 389 2HG2 THR 52 HG22 THR 52 -1.314 -6.834 0.123 390 3HG2 THR 52 HG23 THR 52 -2.237 -7.760 1.306 391 H PHE 53 HN PHE 53 -2.776 -3.173 -0.943 392 HA PHE 53 HA PHE 53 -1.310 -3.311 -3.413 393 1HB PHE 53 HB2 PHE 53 -1.182 -1.562 -0.939 394 2HB PHE 53 HB1 PHE 53 -0.186 -1.252 -2.362 395 HD1 PHE 53 HD1 PHE 53 -1.203 -0.601 -4.502 396 HD2 PHE 53 HD2 PHE 53 -3.591 -1.226 -0.987 397 HE1 PHE 53 HE1 PHE 53 -3.109 0.550 -5.592 398 HE2 PHE 53 HE2 PHE 53 -5.497 -0.073 -2.074 399 HZ PHE 53 HZ PHE 53 -5.255 0.815 -4.379 400 H THR 54 HN THR 54 0.746 -4.147 -3.807 401 HA THR 54 HA THR 54 2.337 -4.994 -1.396 402 HB THR 54 HB THR 54 2.003 -6.375 -4.071 403 HG1 THR 54 HG1 THR 54 0.977 -7.068 -1.525 404 1HG2 THR 54 HG21 THR 54 4.106 -6.644 -2.391 405 2HG2 THR 54 HG22 THR 54 3.465 -7.978 -3.351 406 3HG2 THR 54 HG23 THR 54 2.989 -7.798 -1.662 407 H VAL 55 HN VAL 55 3.986 -3.395 -1.408 408 HA VAL 55 HA VAL 55 5.492 -3.033 -3.928 409 HB VAL 55 HB VAL 55 4.619 -0.993 -2.751 410 1HG1 VAL 55 HG11 VAL 55 5.483 -0.315 -0.635 411 2HG1 VAL 55 HG12 VAL 55 6.692 -1.611 -0.659 412 3HG1 VAL 55 HG13 VAL 55 4.987 -2.002 -0.428 413 1HG2 VAL 55 HG21 VAL 55 7.633 -1.167 -2.697 414 2HG2 VAL 55 HG22 VAL 55 6.653 0.273 -2.956 415 3HG2 VAL 55 HG23 VAL 55 6.692 -0.997 -4.178 416 H THR 56 HN THR 56 7.918 -2.909 -3.612 417 HA THR 56 HA THR 56 9.087 -4.278 -1.298 418 HB THR 56 HB THR 56 8.883 -5.530 -4.051 419 HG1 THR 56 HG1 THR 56 7.164 -6.315 -3.168 420 1HG2 THR 56 HG21 THR 56 10.771 -6.653 -3.547 421 2HG2 THR 56 HG22 THR 56 9.912 -7.388 -2.193 422 3HG2 THR 56 HG23 THR 56 10.841 -5.909 -1.949 423 H GLU 57 HN GLU 57 10.978 -3.116 -1.053 424 HA GLU 57 HA GLU 57 12.222 -1.735 -3.337 425 1HB GLU 57 HB2 GLU 57 12.860 -1.988 -0.382 426 2HB GLU 57 HB1 GLU 57 13.757 -0.953 -1.492 427 1HG GLU 57 HG2 GLU 57 10.758 -0.743 -1.249 428 2HG GLU 57 HG1 GLU 57 11.827 0.129 -0.150 Start of MODEL 11 1 1H MET 1 HT1 MET 1 17.749 -2.974 1.506 2 2H MET 1 HT2 MET 1 17.536 -1.318 1.818 3 3H MET 1 HT3 MET 1 17.096 -1.964 0.310 4 HA MET 1 HA MET 1 15.357 -3.301 1.379 5 1HB MET 1 HB2 MET 1 16.815 -2.119 3.700 6 2HB MET 1 HB1 MET 1 15.074 -2.343 3.878 7 1HG MET 1 HG2 MET 1 15.252 -4.699 3.394 8 2HG MET 1 HG1 MET 1 16.950 -4.530 2.945 9 1HE MET 1 HE1 MET 1 15.285 -5.911 6.612 10 2HE MET 1 HE2 MET 1 16.305 -6.791 5.478 11 3HE MET 1 HE3 MET 1 14.864 -5.963 4.895 12 H THR 2 HN THR 2 13.918 -2.118 0.121 13 HA THR 2 HA THR 2 13.554 0.783 0.565 14 HB THR 2 HB THR 2 12.183 -1.179 -1.301 15 HG1 THR 2 HG1 THR 2 14.445 0.495 -1.656 16 1HG2 THR 2 HG21 THR 2 12.359 1.838 -1.202 17 2HG2 THR 2 HG22 THR 2 10.905 0.841 -1.141 18 3HG2 THR 2 HG23 THR 2 11.836 0.952 -2.635 19 H THR 3 HN THR 3 12.251 1.319 2.282 20 HA THR 3 HA THR 3 10.103 -0.451 3.169 21 HB THR 3 HB THR 3 11.046 2.249 4.160 22 HG1 THR 3 HG1 THR 3 12.635 1.200 5.010 23 1HG2 THR 3 HG21 THR 3 9.702 1.951 6.002 24 2HG2 THR 3 HG22 THR 3 9.798 0.193 5.918 25 3HG2 THR 3 HG23 THR 3 8.732 1.070 4.823 26 H PHE 4 HN PHE 4 8.497 -0.277 1.504 27 HA PHE 4 HA PHE 4 7.553 2.312 0.529 28 1HB PHE 4 HB2 PHE 4 6.521 -0.537 0.374 29 2HB PHE 4 HB1 PHE 4 5.787 0.811 -0.492 30 HD1 PHE 4 HD1 PHE 4 7.168 2.096 -2.176 31 HD2 PHE 4 HD2 PHE 4 8.500 -1.588 -0.414 32 HE1 PHE 4 HE1 PHE 4 8.836 1.828 -3.993 33 HE2 PHE 4 HE2 PHE 4 10.168 -1.853 -2.229 34 HZ PHE 4 HZ PHE 4 10.334 -0.145 -4.018 35 H LYS 5 HN LYS 5 5.165 2.896 0.807 36 HA LYS 5 HA LYS 5 4.058 2.060 3.460 37 1HB LYS 5 HB2 LYS 5 5.404 4.137 3.675 38 2HB LYS 5 HB1 LYS 5 4.405 4.898 2.438 39 1HG LYS 5 HG2 LYS 5 2.426 4.151 4.035 40 2HG LYS 5 HG1 LYS 5 3.699 4.164 5.256 41 1HD LYS 5 HD2 LYS 5 4.293 6.504 4.382 42 2HD LYS 5 HD1 LYS 5 2.745 6.457 3.537 43 1HE LYS 5 HE2 LYS 5 1.508 6.469 5.526 44 2HE LYS 5 HE1 LYS 5 2.854 5.812 6.480 45 1HZ LYS 5 HZ1 LYS 5 4.091 7.881 5.948 46 2HZ LYS 5 HZ2 LYS 5 2.720 8.144 6.916 47 3HZ LYS 5 HZ3 LYS 5 2.677 8.515 5.259 48 H LEU 6 HN LEU 6 1.954 1.447 3.158 49 HA LEU 6 HA LEU 6 0.505 2.381 0.727 50 1HB LEU 6 HB2 LEU 6 0.699 -0.025 1.101 51 2HB LEU 6 HB1 LEU 6 0.050 0.145 2.731 52 HG LEU 6 HG LEU 6 -2.070 1.069 1.694 53 1HD1 LEU 6 HD11 LEU 6 -0.598 0.222 -0.806 54 2HD1 LEU 6 HD12 LEU 6 -1.333 1.785 -0.455 55 3HD1 LEU 6 HD13 LEU 6 -2.355 0.379 -0.758 56 1HD2 LEU 6 HD21 LEU 6 -2.555 -1.328 0.574 57 2HD2 LEU 6 HD22 LEU 6 -2.432 -1.116 2.321 58 3HD2 LEU 6 HD23 LEU 6 -1.048 -1.716 1.404 59 H ILE 7 HN ILE 7 -1.008 3.983 0.969 60 HA ILE 7 HA ILE 7 -1.805 4.945 3.605 61 HB ILE 7 HB ILE 7 -1.478 6.131 1.247 62 1HG1 ILE 7 HG12 ILE 7 -3.120 7.907 2.005 63 2HG1 ILE 7 HG11 ILE 7 -3.617 6.795 3.280 64 1HG2 ILE 7 HG21 ILE 7 -3.422 6.437 -0.071 65 2HG2 ILE 7 HG22 ILE 7 -4.467 5.721 1.155 66 3HG2 ILE 7 HG23 ILE 7 -3.360 4.702 0.238 67 1HD1 ILE 7 HD11 ILE 7 -0.692 7.273 2.959 68 2HD1 ILE 7 HD12 ILE 7 -1.632 7.001 4.427 69 3HD1 ILE 7 HD13 ILE 7 -1.652 8.583 3.647 70 H ILE 8 HN ILE 8 -4.266 5.109 4.113 71 HA ILE 8 HA ILE 8 -5.665 2.637 3.146 72 HB ILE 8 HB ILE 8 -5.603 3.815 5.946 73 1HG1 ILE 8 HG12 ILE 8 -4.366 1.254 4.881 74 2HG1 ILE 8 HG11 ILE 8 -3.462 2.733 5.210 75 1HG2 ILE 8 HG21 ILE 8 -6.917 1.934 6.608 76 2HG2 ILE 8 HG22 ILE 8 -6.699 1.144 5.047 77 3HG2 ILE 8 HG23 ILE 8 -7.707 2.585 5.172 78 1HD1 ILE 8 HD11 ILE 8 -5.191 1.498 7.344 79 2HD1 ILE 8 HD12 ILE 8 -3.813 2.583 7.529 80 3HD1 ILE 8 HD13 ILE 8 -3.556 0.902 7.061 81 H ASN 9 HN ASN 9 -6.596 4.380 1.627 82 HA ASN 9 HA ASN 9 -8.601 6.149 2.933 83 1HB ASN 9 HB2 ASN 9 -6.997 6.109 0.509 84 2HB ASN 9 HB1 ASN 9 -8.698 6.340 0.106 85 1HD2 ASN 9 HD21 ASN 9 -5.984 8.100 0.743 86 2HD2 ASN 9 HD22 ASN 9 -6.684 9.480 1.442 87 H GLY 10 HN GLY 10 -9.170 3.477 3.287 88 1HA GLY 10 HA2 GLY 10 -11.261 2.842 1.254 89 2HA GLY 10 HA1 GLY 10 -10.495 1.654 2.313 90 H LYS 11 HN LYS 11 -13.307 1.996 2.090 91 HA LYS 11 HA LYS 11 -14.280 3.523 4.390 92 1HB LYS 11 HB2 LYS 11 -15.488 3.026 2.211 93 2HB LYS 11 HB1 LYS 11 -15.649 1.361 2.768 94 1HG LYS 11 HG2 LYS 11 -17.203 1.899 4.366 95 2HG LYS 11 HG1 LYS 11 -16.483 3.478 4.681 96 1HD LYS 11 HD2 LYS 11 -18.417 4.130 3.583 97 2HD LYS 11 HD1 LYS 11 -17.319 3.977 2.211 98 1HE LYS 11 HE2 LYS 11 -18.129 1.535 2.039 99 2HE LYS 11 HE1 LYS 11 -19.446 2.028 3.122 100 1HZ LYS 11 HZ1 LYS 11 -18.711 3.498 0.650 101 2HZ LYS 11 HZ2 LYS 11 -20.072 3.756 1.634 102 3HZ LYS 11 HZ3 LYS 11 -19.944 2.335 0.711 103 H THR 12 HN THR 12 -12.582 0.617 4.175 104 HA THR 12 HA THR 12 -14.061 -0.704 6.393 105 HB THR 12 HB THR 12 -11.695 -1.614 4.724 106 HG1 THR 12 HG1 THR 12 -13.405 -1.302 3.363 107 1HG2 THR 12 HG21 THR 12 -12.336 -2.713 7.003 108 2HG2 THR 12 HG22 THR 12 -12.064 -3.752 5.605 109 3HG2 THR 12 HG23 THR 12 -13.709 -3.365 6.108 110 H LEU 13 HN LEU 13 -10.965 0.838 5.599 111 HA LEU 13 HA LEU 13 -10.340 0.938 8.515 112 1HB LEU 13 HB2 LEU 13 -9.104 -0.772 6.511 113 2HB LEU 13 HB1 LEU 13 -7.911 0.319 7.214 114 HG LEU 13 HG LEU 13 -9.798 -0.993 9.107 115 1HD1 LEU 13 HD11 LEU 13 -8.907 -3.124 8.971 116 2HD1 LEU 13 HD12 LEU 13 -7.392 -2.560 8.268 117 3HD1 LEU 13 HD13 LEU 13 -8.841 -2.668 7.269 118 1HD2 LEU 13 HD21 LEU 13 -7.390 -1.246 10.203 119 2HD2 LEU 13 HD22 LEU 13 -8.224 0.307 10.215 120 3HD2 LEU 13 HD23 LEU 13 -6.968 -0.010 9.019 121 H LYS 14 HN LYS 14 -8.312 2.376 8.832 122 HA LYS 14 HA LYS 14 -7.794 4.332 6.687 123 1HB LYS 14 HB2 LYS 14 -9.778 4.682 8.786 124 2HB LYS 14 HB1 LYS 14 -8.534 5.927 8.893 125 1HG LYS 14 HG2 LYS 14 -8.888 6.068 6.277 126 2HG LYS 14 HG1 LYS 14 -10.455 5.358 6.663 127 1HD LYS 14 HD2 LYS 14 -11.195 7.237 7.743 128 2HD LYS 14 HD1 LYS 14 -9.595 7.628 8.375 129 1HE LYS 14 HE2 LYS 14 -9.846 7.821 5.426 130 2HE LYS 14 HE1 LYS 14 -10.769 9.023 6.351 131 1HZ LYS 14 HZ1 LYS 14 -7.897 8.363 6.745 132 2HZ LYS 14 HZ2 LYS 14 -8.785 9.487 7.659 133 3HZ LYS 14 HZ3 LYS 14 -8.491 9.770 6.009 134 H GLY 15 HN GLY 15 -5.839 5.450 7.045 135 1HA GLY 15 HA2 GLY 15 -4.339 6.270 9.008 136 2HA GLY 15 HA1 GLY 15 -4.289 4.558 9.428 137 H GLU 16 HN GLU 16 -2.267 3.867 8.887 138 HA GLU 16 HA GLU 16 -1.438 4.032 6.051 139 1HB GLU 16 HB2 GLU 16 0.745 5.049 6.699 140 2HB GLU 16 HB1 GLU 16 -0.612 6.115 7.058 141 1HG GLU 16 HG2 GLU 16 -0.591 5.161 9.416 142 2HG GLU 16 HG1 GLU 16 0.940 4.389 9.003 143 H THR 17 HN THR 17 0.489 2.630 5.656 144 HA THR 17 HA THR 17 1.175 0.708 7.816 145 HB THR 17 HB THR 17 -0.004 -0.092 5.134 146 HG1 THR 17 HG1 THR 17 -1.747 -0.790 6.545 147 1HG2 THR 17 HG21 THR 17 1.696 -1.562 6.573 148 2HG2 THR 17 HG22 THR 17 0.310 -2.289 5.760 149 3HG2 THR 17 HG23 THR 17 0.227 -1.920 7.482 150 H THR 18 HN THR 18 3.214 -0.250 7.470 151 HA THR 18 HA THR 18 4.631 0.447 4.920 152 HB THR 18 HB THR 18 6.618 0.898 6.426 153 HG1 THR 18 HG1 THR 18 6.257 0.100 8.347 154 1HG2 THR 18 HG21 THR 18 4.134 2.573 6.887 155 2HG2 THR 18 HG22 THR 18 5.246 2.731 5.527 156 3HG2 THR 18 HG23 THR 18 5.792 3.107 7.161 157 H THR 19 HN THR 19 6.643 -0.937 4.658 158 HA THR 19 HA THR 19 6.818 -3.430 6.192 159 HB THR 19 HB THR 19 4.851 -3.820 4.762 160 HG1 THR 19 HG1 THR 19 5.975 -5.648 4.997 161 1HG2 THR 19 HG21 THR 19 4.867 -3.574 2.416 162 2HG2 THR 19 HG22 THR 19 6.628 -3.520 2.345 163 3HG2 THR 19 HG23 THR 19 5.729 -2.146 2.987 164 H GLU 20 HN GLU 20 8.518 -4.902 5.133 165 HA GLU 20 HA GLU 20 10.699 -3.202 4.008 166 1HB GLU 20 HB2 GLU 20 10.467 -5.733 5.608 167 2HB GLU 20 HB1 GLU 20 11.939 -5.444 4.679 168 1HG GLU 20 HG2 GLU 20 12.336 -4.526 6.854 169 2HG GLU 20 HG1 GLU 20 12.041 -3.152 5.786 170 H ALA 21 HN ALA 21 11.104 -3.390 1.845 171 HA ALA 21 HA ALA 21 10.854 -6.028 0.507 172 1HB ALA 21 HB1 ALA 21 9.515 -3.660 -0.759 173 2HB ALA 21 HB2 ALA 21 8.675 -4.508 0.540 174 3HB ALA 21 HB3 ALA 21 9.136 -5.374 -0.926 175 H VAL 22 HN VAL 22 12.197 -6.165 -1.334 176 HA VAL 22 HA VAL 22 14.452 -4.419 -1.516 177 HB VAL 22 HB VAL 22 14.375 -6.780 -2.251 178 1HG1 VAL 22 HG11 VAL 22 12.923 -5.964 -4.745 179 2HG1 VAL 22 HG12 VAL 22 11.990 -6.345 -3.300 180 3HG1 VAL 22 HG13 VAL 22 13.058 -7.558 -4.005 181 1HG2 VAL 22 HG21 VAL 22 15.206 -4.590 -4.106 182 2HG2 VAL 22 HG22 VAL 22 15.256 -6.243 -4.716 183 3HG2 VAL 22 HG23 VAL 22 16.190 -5.802 -3.287 184 H ASP 23 HN ASP 23 11.357 -4.456 -3.239 185 HA ASP 23 HA ASP 23 11.612 -1.668 -4.007 186 1HB ASP 23 HB2 ASP 23 11.729 -2.130 -6.468 187 2HB ASP 23 HB1 ASP 23 13.177 -2.642 -5.605 188 H ALA 24 HN ALA 24 9.753 -1.179 -5.706 189 HA ALA 24 HA ALA 24 7.255 -1.810 -4.608 190 1HB ALA 24 HB1 ALA 24 8.219 -0.164 -6.530 191 2HB ALA 24 HB2 ALA 24 6.497 -0.470 -6.308 192 3HB ALA 24 HB3 ALA 24 7.397 -1.356 -7.538 193 H ALA 25 HN ALA 25 9.168 -3.641 -6.909 194 HA ALA 25 HA ALA 25 7.182 -5.320 -8.059 195 1HB ALA 25 HB1 ALA 25 9.951 -6.222 -7.253 196 2HB ALA 25 HB2 ALA 25 9.715 -5.026 -8.527 197 3HB ALA 25 HB3 ALA 25 9.042 -6.646 -8.704 198 H THR 26 HN THR 26 8.538 -5.298 -4.832 199 HA THR 26 HA THR 26 7.117 -7.869 -4.222 200 HB THR 26 HB THR 26 9.478 -6.568 -2.832 201 HG1 THR 26 HG1 THR 26 10.341 -7.240 -4.661 202 1HG2 THR 26 HG21 THR 26 8.600 -8.006 -1.244 203 2HG2 THR 26 HG22 THR 26 9.644 -9.119 -2.128 204 3HG2 THR 26 HG23 THR 26 7.911 -9.088 -2.454 205 H ALA 27 HN ALA 27 7.230 -4.474 -3.565 206 HA ALA 27 HA ALA 27 6.199 -4.510 -0.855 207 1HB ALA 27 HB1 ALA 27 6.251 -2.201 -1.112 208 2HB ALA 27 HB2 ALA 27 5.688 -2.273 -2.781 209 3HB ALA 27 HB3 ALA 27 7.362 -2.673 -2.397 210 H GLU 28 HN GLU 28 4.646 -3.928 -4.032 211 HA GLU 28 HA GLU 28 1.964 -3.639 -3.100 212 1HB GLU 28 HB2 GLU 28 3.051 -3.213 -5.404 213 2HB GLU 28 HB1 GLU 28 2.794 -4.932 -5.706 214 1HG GLU 28 HG2 GLU 28 0.392 -4.674 -5.305 215 2HG GLU 28 HG1 GLU 28 0.621 -2.967 -4.920 216 H LYS 29 HN LYS 29 3.895 -6.538 -3.733 217 HA LYS 29 HA LYS 29 1.821 -8.487 -3.838 218 1HB LYS 29 HB2 LYS 29 4.671 -8.517 -2.812 219 2HB LYS 29 HB1 LYS 29 3.697 -9.979 -2.958 220 1HG LYS 29 HG2 LYS 29 3.287 -9.213 -5.400 221 2HG LYS 29 HG1 LYS 29 4.668 -8.146 -5.144 222 1HD LYS 29 HD2 LYS 29 6.168 -9.898 -4.969 223 2HD LYS 29 HD1 LYS 29 4.949 -11.017 -4.358 224 1HE LYS 29 HE2 LYS 29 5.452 -11.725 -6.609 225 2HE LYS 29 HE1 LYS 29 3.882 -10.900 -6.695 226 1HZ LYS 29 HZ1 LYS 29 6.519 -9.605 -7.152 227 2HZ LYS 29 HZ2 LYS 29 4.999 -8.856 -7.275 228 3HZ LYS 29 HZ3 LYS 29 5.443 -10.069 -8.378 229 H VAL 30 HN VAL 30 3.503 -7.055 -1.040 230 HA VAL 30 HA VAL 30 1.990 -8.668 0.896 231 HB VAL 30 HB VAL 30 3.855 -6.281 1.164 232 1HG1 VAL 30 HG11 VAL 30 2.584 -8.144 3.166 233 2HG1 VAL 30 HG12 VAL 30 2.686 -6.383 3.209 234 3HG1 VAL 30 HG13 VAL 30 4.124 -7.358 3.515 235 1HG2 VAL 30 HG21 VAL 30 4.693 -8.505 0.119 236 2HG2 VAL 30 HG22 VAL 30 4.498 -9.175 1.739 237 3HG2 VAL 30 HG23 VAL 30 5.612 -7.835 1.467 238 H PHE 31 HN PHE 31 2.042 -5.272 -0.208 239 HA PHE 31 HA PHE 31 -0.021 -4.343 1.583 240 1HB PHE 31 HB2 PHE 31 1.250 -3.401 -0.983 241 2HB PHE 31 HB1 PHE 31 -0.106 -2.514 -0.287 242 HD1 PHE 31 HD1 PHE 31 0.287 -2.633 2.572 243 HD2 PHE 31 HD2 PHE 31 3.228 -2.248 -0.536 244 HE1 PHE 31 HE1 PHE 31 1.832 -1.536 4.170 245 HE2 PHE 31 HE2 PHE 31 4.771 -1.153 1.064 246 HZ PHE 31 HZ PHE 31 4.075 -0.797 3.416 247 H LYS 32 HN LYS 32 -0.066 -5.733 -1.686 248 HA LYS 32 HA LYS 32 -2.815 -5.190 -2.299 249 1HB LYS 32 HB2 LYS 32 -1.073 -5.918 -3.917 250 2HB LYS 32 HB1 LYS 32 -1.014 -7.497 -3.131 251 1HG LYS 32 HG2 LYS 32 -3.238 -8.027 -3.799 252 2HG LYS 32 HG1 LYS 32 -3.582 -6.356 -4.248 253 1HD LYS 32 HD2 LYS 32 -2.277 -6.474 -6.196 254 2HD LYS 32 HD1 LYS 32 -1.366 -7.868 -5.614 255 1HE LYS 32 HE2 LYS 32 -2.794 -9.033 -6.990 256 2HE LYS 32 HE1 LYS 32 -3.914 -8.882 -5.622 257 1HZ LYS 32 HZ1 LYS 32 -4.699 -6.790 -6.524 258 2HZ LYS 32 HZ2 LYS 32 -4.896 -8.023 -7.676 259 3HZ LYS 32 HZ3 LYS 32 -3.622 -6.910 -7.828 260 H GLN 33 HN GLN 33 -1.213 -8.028 -0.830 261 HA GLN 33 HA GLN 33 -3.572 -9.587 -0.385 262 1HB GLN 33 HB2 GLN 33 -1.217 -10.397 -0.302 263 2HB GLN 33 HB1 GLN 33 -0.971 -9.462 1.174 264 1HG GLN 33 HG2 GLN 33 -1.460 -11.731 1.833 265 2HG GLN 33 HG1 GLN 33 -2.882 -10.755 2.205 266 1HE2 GLN 33 HE21 GLN 33 -4.776 -11.787 1.583 267 2HE2 GLN 33 HE22 GLN 33 -4.941 -12.801 0.232 268 H TYR 34 HN TYR 34 -2.065 -6.992 1.378 269 HA TYR 34 HA TYR 34 -3.560 -7.252 3.845 270 1HB TYR 34 HB2 TYR 34 -1.529 -6.045 3.937 271 2HB TYR 34 HB1 TYR 34 -1.871 -5.169 2.450 272 HD1 TYR 34 HD1 TYR 34 -3.128 -3.122 2.467 273 HD2 TYR 34 HD2 TYR 34 -2.680 -5.434 6.055 274 HE1 TYR 34 HE1 TYR 34 -4.023 -1.228 3.791 275 HE2 TYR 34 HE2 TYR 34 -3.578 -3.541 7.388 276 HH TYR 34 HH TYR 34 -5.173 -0.915 6.002 277 H ALA 35 HN ALA 35 -3.918 -5.177 0.952 278 HA ALA 35 HA ALA 35 -6.416 -3.974 1.830 279 1HB ALA 35 HB1 ALA 35 -6.357 -3.497 -0.799 280 2HB ALA 35 HB2 ALA 35 -4.698 -4.073 -0.622 281 3HB ALA 35 HB3 ALA 35 -5.251 -2.671 0.299 282 H ASN 36 HN ASN 36 -5.528 -6.746 -0.180 283 HA ASN 36 HA ASN 36 -8.041 -7.293 -1.370 284 1HB ASN 36 HB2 ASN 36 -5.846 -8.301 -1.964 285 2HB ASN 36 HB1 ASN 36 -5.870 -9.201 -0.448 286 1HD2 ASN 36 HD21 ASN 36 -5.758 -10.698 -2.789 287 2HD2 ASN 36 HD22 ASN 36 -7.251 -11.453 -3.077 288 H ASP 37 HN ASP 37 -6.614 -8.679 1.608 289 HA ASP 37 HA ASP 37 -8.875 -10.239 2.388 290 1HB ASP 37 HB2 ASP 37 -6.320 -9.901 3.221 291 2HB ASP 37 HB1 ASP 37 -7.162 -8.988 4.475 292 H ASN 38 HN ASN 38 -8.039 -6.845 3.017 293 HA ASN 38 HA ASN 38 -10.254 -6.415 4.881 294 1HB ASN 38 HB2 ASN 38 -8.172 -4.753 3.472 295 2HB ASN 38 HB1 ASN 38 -9.476 -3.970 4.366 296 1HD2 ASN 38 HD21 ASN 38 -6.565 -5.938 4.702 297 2HD2 ASN 38 HD22 ASN 38 -6.484 -5.855 6.396 298 H GLY 39 HN GLY 39 -9.589 -5.620 1.466 299 1HA GLY 39 HA2 GLY 39 -11.461 -5.770 -0.152 300 2HA GLY 39 HA1 GLY 39 -12.517 -5.132 1.110 301 H ILE 40 HN ILE 40 -9.275 -3.980 0.194 302 HA ILE 40 HA ILE 40 -10.447 -1.271 -0.211 303 HB ILE 40 HB ILE 40 -7.620 -2.297 0.219 304 1HG1 ILE 40 HG12 ILE 40 -9.508 -0.720 2.000 305 2HG1 ILE 40 HG11 ILE 40 -9.180 -2.444 2.155 306 1HG2 ILE 40 HG21 ILE 40 -8.712 0.426 -0.417 307 2HG2 ILE 40 HG22 ILE 40 -7.186 -0.307 -0.921 308 3HG2 ILE 40 HG23 ILE 40 -7.371 0.310 0.721 309 1HD1 ILE 40 HD11 ILE 40 -6.889 -0.501 2.168 310 2HD1 ILE 40 HD12 ILE 40 -6.998 -2.098 2.907 311 3HD1 ILE 40 HD13 ILE 40 -7.846 -0.731 3.632 312 H ASP 41 HN ASP 41 -11.189 -2.630 -2.343 313 HA ASP 41 HA ASP 41 -9.158 -2.705 -4.466 314 1HB ASP 41 HB2 ASP 41 -11.134 -3.359 -5.836 315 2HB ASP 41 HB1 ASP 41 -11.037 -4.307 -4.354 316 H GLY 42 HN GLY 42 -8.849 -0.245 -3.666 317 1HA GLY 42 HA2 GLY 42 -10.748 1.603 -4.962 318 2HA GLY 42 HA1 GLY 42 -9.381 2.054 -3.942 319 H GLU 43 HN GLU 43 -8.291 3.424 -5.261 320 HA GLU 43 HA GLU 43 -7.426 2.401 -7.904 321 1HB GLU 43 HB2 GLU 43 -7.280 4.819 -8.529 322 2HB GLU 43 HB1 GLU 43 -8.910 4.337 -8.068 323 1HG GLU 43 HG2 GLU 43 -7.530 5.158 -5.690 324 2HG GLU 43 HG1 GLU 43 -7.278 6.393 -6.919 325 H TRP 44 HN TRP 44 -5.449 1.529 -7.411 326 HA TRP 44 HA TRP 44 -3.675 2.597 -5.440 327 1HB TRP 44 HB2 TRP 44 -3.493 0.546 -7.630 328 2HB TRP 44 HB1 TRP 44 -2.106 0.920 -6.599 329 HD1 TRP 44 HD1 TRP 44 -5.832 -0.028 -6.204 330 HE1 TRP 44 HE1 TRP 44 -6.074 -1.429 -4.051 331 HE3 TRP 44 HE3 TRP 44 -1.012 0.094 -4.525 332 HZ2 TRP 44 HZ2 TRP 44 -4.441 -2.347 -1.896 333 HZ3 TRP 44 HZ3 TRP 44 -0.382 -1.054 -2.420 334 HH2 TRP 44 HH2 TRP 44 -2.090 -2.280 -1.107 335 H THR 45 HN THR 45 -1.876 3.807 -5.624 336 HA THR 45 HA THR 45 -0.831 4.671 -8.244 337 HB THR 45 HB THR 45 -1.021 7.097 -7.270 338 HG1 THR 45 HG1 THR 45 -2.535 7.377 -5.760 339 1HG2 THR 45 HG21 THR 45 -3.558 5.723 -8.183 340 2HG2 THR 45 HG22 THR 45 -2.233 6.143 -9.268 341 3HG2 THR 45 HG23 THR 45 -3.114 7.414 -8.419 342 H TYR 46 HN TYR 46 1.369 4.843 -8.026 343 HA TYR 46 HA TYR 46 2.477 4.731 -5.252 344 1HB TYR 46 HB2 TYR 46 3.018 2.799 -6.520 345 2HB TYR 46 HB1 TYR 46 3.293 3.726 -7.987 346 HD1 TYR 46 HD1 TYR 46 4.721 2.788 -4.689 347 HD2 TYR 46 HD2 TYR 46 5.418 4.760 -8.440 348 HE1 TYR 46 HE1 TYR 46 7.142 2.851 -4.204 349 HE2 TYR 46 HE2 TYR 46 7.847 4.831 -7.951 350 HH TYR 46 HH TYR 46 9.309 2.978 -5.663 351 H ASP 47 HN ASP 47 3.915 6.308 -4.587 352 HA ASP 47 HA ASP 47 4.530 8.526 -6.506 353 1HB ASP 47 HB2 ASP 47 3.646 8.304 -3.714 354 2HB ASP 47 HB1 ASP 47 5.023 9.390 -3.901 355 H ASP 48 HN ASP 48 6.640 8.622 -7.139 356 HA ASP 48 HA ASP 48 8.692 6.950 -5.905 357 1HB ASP 48 HB2 ASP 48 8.441 7.483 -8.349 358 2HB ASP 48 HB1 ASP 48 8.908 9.145 -7.987 359 H ALA 49 HN ALA 49 7.673 10.292 -5.618 360 HA ALA 49 HA ALA 49 9.992 11.578 -4.705 361 1HB ALA 49 HB1 ALA 49 8.238 12.926 -3.355 362 2HB ALA 49 HB2 ALA 49 7.056 11.821 -4.056 363 3HB ALA 49 HB3 ALA 49 8.033 12.848 -5.105 364 H THR 50 HN THR 50 7.712 9.543 -2.875 365 HA THR 50 HA THR 50 9.770 9.277 -0.728 366 HB THR 50 HB THR 50 7.948 9.656 0.937 367 HG1 THR 50 HG1 THR 50 5.978 9.767 0.259 368 1HG2 THR 50 HG21 THR 50 7.834 12.068 0.646 369 2HG2 THR 50 HG22 THR 50 8.216 11.912 -1.069 370 3HG2 THR 50 HG23 THR 50 9.430 11.508 0.145 371 H LYS 51 HN LYS 51 8.138 7.600 -2.947 372 HA LYS 51 HA LYS 51 7.334 5.391 -3.133 373 1HB LYS 51 HB2 LYS 51 9.577 5.562 -1.276 374 2HB LYS 51 HB1 LYS 51 8.551 4.175 -0.912 375 1HG LYS 51 HG2 LYS 51 9.863 3.201 -2.524 376 2HG LYS 51 HG1 LYS 51 8.652 3.923 -3.584 377 1HD LYS 51 HD2 LYS 51 10.830 4.518 -4.449 378 2HD LYS 51 HD1 LYS 51 10.121 5.967 -3.736 379 1HE LYS 51 HE2 LYS 51 11.552 4.551 -1.673 380 2HE LYS 51 HE1 LYS 51 12.619 4.766 -3.074 381 1HZ LYS 51 HZ1 LYS 51 11.771 7.110 -3.168 382 2HZ LYS 51 HZ2 LYS 51 12.750 6.756 -1.825 383 3HZ LYS 51 HZ3 LYS 51 11.063 6.851 -1.648 384 H THR 52 HN THR 52 5.097 5.679 -2.634 385 HA THR 52 HA THR 52 4.260 4.507 -0.061 386 HB THR 52 HB THR 52 3.547 7.343 -0.877 387 HG1 THR 52 HG1 THR 52 4.862 7.936 0.775 388 1HG2 THR 52 HG21 THR 52 1.713 6.151 0.288 389 2HG2 THR 52 HG22 THR 52 2.387 7.440 1.285 390 3HG2 THR 52 HG23 THR 52 2.819 5.761 1.605 391 H PHE 53 HN PHE 53 2.982 2.932 -1.041 392 HA PHE 53 HA PHE 53 1.420 3.233 -3.424 393 1HB PHE 53 HB2 PHE 53 1.273 1.428 -0.991 394 2HB PHE 53 HB1 PHE 53 0.206 1.218 -2.379 395 HD1 PHE 53 HD1 PHE 53 1.062 0.464 -4.532 396 HD2 PHE 53 HD2 PHE 53 3.685 1.031 -1.179 397 HE1 PHE 53 HE1 PHE 53 2.847 -0.786 -5.717 398 HE2 PHE 53 HE2 PHE 53 5.471 -0.218 -2.363 399 HZ PHE 53 HZ PHE 53 5.050 -1.128 -4.633 400 H THR 54 HN THR 54 -0.585 4.222 -3.724 401 HA THR 54 HA THR 54 -2.054 5.055 -1.229 402 HB THR 54 HB THR 54 -1.717 6.527 -3.856 403 HG1 THR 54 HG1 THR 54 -0.050 7.431 -2.959 404 1HG2 THR 54 HG21 THR 54 -3.771 6.835 -2.126 405 2HG2 THR 54 HG22 THR 54 -3.074 8.176 -3.034 406 3HG2 THR 54 HG23 THR 54 -2.581 7.890 -1.366 407 H VAL 55 HN VAL 55 -3.753 3.493 -1.274 408 HA VAL 55 HA VAL 55 -5.362 3.299 -3.745 409 HB VAL 55 HB VAL 55 -4.552 1.191 -2.645 410 1HG1 VAL 55 HG11 VAL 55 -6.501 1.885 -0.458 411 2HG1 VAL 55 HG12 VAL 55 -4.759 2.122 -0.293 412 3HG1 VAL 55 HG13 VAL 55 -5.410 0.494 -0.522 413 1HG2 VAL 55 HG21 VAL 55 -7.549 1.481 -2.468 414 2HG2 VAL 55 HG22 VAL 55 -6.637 0.014 -2.810 415 3HG2 VAL 55 HG23 VAL 55 -6.678 1.322 -3.993 416 H THR 56 HN THR 56 -7.797 3.246 -3.324 417 HA THR 56 HA THR 56 -8.782 4.647 -0.943 418 HB THR 56 HB THR 56 -8.750 5.872 -3.715 419 HG1 THR 56 HG1 THR 56 -6.863 6.403 -2.907 420 1HG2 THR 56 HG21 THR 56 -10.266 6.510 -1.229 421 2HG2 THR 56 HG22 THR 56 -10.721 6.753 -2.915 422 3HG2 THR 56 HG23 THR 56 -9.603 7.871 -2.134 423 H GLU 57 HN GLU 57 -10.496 3.240 -0.598 424 HA GLU 57 HA GLU 57 -12.107 2.281 -2.908 425 1HB GLU 57 HB2 GLU 57 -11.110 1.031 -0.738 426 2HB GLU 57 HB1 GLU 57 -12.675 1.514 -0.084 427 1HG GLU 57 HG2 GLU 57 -12.543 0.231 -2.796 428 2HG GLU 57 HG1 GLU 57 -12.455 -0.779 -1.352 Start of MODEL 12 1 1H MET 1 HT1 MET 1 17.219 -3.243 0.474 2 2H MET 1 HT2 MET 1 17.501 -4.354 1.729 3 3H MET 1 HT3 MET 1 17.306 -2.703 2.080 4 HA MET 1 HA MET 1 15.170 -4.372 0.860 5 1HB MET 1 HB2 MET 1 14.296 -4.461 3.191 6 2HB MET 1 HB1 MET 1 15.867 -5.247 3.051 7 1HG MET 1 HG2 MET 1 16.995 -3.401 4.053 8 2HG MET 1 HG1 MET 1 15.591 -2.350 3.875 9 1HE MET 1 HE1 MET 1 14.386 -2.329 7.281 10 2HE MET 1 HE2 MET 1 14.040 -1.851 5.622 11 3HE MET 1 HE3 MET 1 15.645 -1.572 6.295 12 H THR 2 HN THR 2 13.028 -3.251 1.341 13 HA THR 2 HA THR 2 13.249 -0.300 1.704 14 HB THR 2 HB THR 2 11.939 -1.687 -0.659 15 HG1 THR 2 HG1 THR 2 14.304 -0.133 -0.460 16 1HG2 THR 2 HG21 THR 2 10.785 0.365 -0.094 17 2HG2 THR 2 HG22 THR 2 11.789 0.672 -1.514 18 3HG2 THR 2 HG23 THR 2 12.315 1.227 0.076 19 H THR 3 HN THR 3 11.831 -0.020 3.385 20 HA THR 3 HA THR 3 9.469 -1.711 3.677 21 HB THR 3 HB THR 3 10.867 -1.155 5.604 22 HG1 THR 3 HG1 THR 3 8.615 -1.363 5.920 23 1HG2 THR 3 HG21 THR 3 11.774 0.888 5.831 24 2HG2 THR 3 HG22 THR 3 10.167 1.590 6.014 25 3HG2 THR 3 HG23 THR 3 10.886 1.439 4.411 26 H PHE 4 HN PHE 4 8.035 -1.074 2.003 27 HA PHE 4 HA PHE 4 7.388 1.729 1.486 28 1HB PHE 4 HB2 PHE 4 6.145 -0.925 0.699 29 2HB PHE 4 HB1 PHE 4 5.626 0.628 0.047 30 HD1 PHE 4 HD1 PHE 4 8.290 -1.899 0.114 31 HD2 PHE 4 HD2 PHE 4 7.086 1.918 -1.445 32 HE1 PHE 4 HE1 PHE 4 10.109 -2.012 -1.567 33 HE2 PHE 4 HE2 PHE 4 8.908 1.804 -3.125 34 HZ PHE 4 HZ PHE 4 10.416 -0.160 -3.186 35 H LYS 5 HN LYS 5 4.966 2.385 1.635 36 HA LYS 5 HA LYS 5 3.632 1.225 4.050 37 1HB LYS 5 HB2 LYS 5 5.081 3.211 4.596 38 2HB LYS 5 HB1 LYS 5 4.080 4.178 3.512 39 1HG LYS 5 HG2 LYS 5 2.080 3.332 4.912 40 2HG LYS 5 HG1 LYS 5 3.288 2.849 6.103 41 1HD LYS 5 HD2 LYS 5 3.133 5.648 4.961 42 2HD LYS 5 HD1 LYS 5 2.309 5.169 6.445 43 1HE LYS 5 HE2 LYS 5 4.827 4.210 6.931 44 2HE LYS 5 HE1 LYS 5 5.186 5.666 5.981 45 1HZ LYS 5 HZ1 LYS 5 3.290 5.576 8.268 46 2HZ LYS 5 HZ2 LYS 5 3.768 6.956 7.399 47 3HZ LYS 5 HZ3 LYS 5 4.888 6.134 8.377 48 H LEU 6 HN LEU 6 1.479 0.892 3.633 49 HA LEU 6 HA LEU 6 0.289 2.191 1.222 50 1HB LEU 6 HB2 LEU 6 0.322 -0.254 1.305 51 2HB LEU 6 HB1 LEU 6 -0.465 -0.237 2.882 52 HG LEU 6 HG LEU 6 -2.410 0.972 1.783 53 1HD1 LEU 6 HD11 LEU 6 -1.431 1.846 -0.202 54 2HD1 LEU 6 HD12 LEU 6 -2.507 0.559 -0.746 55 3HD1 LEU 6 HD13 LEU 6 -0.767 0.276 -0.656 56 1HD2 LEU 6 HD21 LEU 6 -1.563 -1.840 1.286 57 2HD2 LEU 6 HD22 LEU 6 -2.950 -1.253 0.368 58 3HD2 LEU 6 HD23 LEU 6 -2.985 -1.226 2.131 59 H ILE 7 HN ILE 7 -1.095 3.878 1.587 60 HA ILE 7 HA ILE 7 -2.031 4.573 4.246 61 HB ILE 7 HB ILE 7 -1.528 5.967 2.026 62 1HG1 ILE 7 HG12 ILE 7 -3.052 7.769 2.917 63 2HG1 ILE 7 HG11 ILE 7 -3.709 6.573 4.034 64 1HG2 ILE 7 HG21 ILE 7 -4.534 5.733 1.807 65 2HG2 ILE 7 HG22 ILE 7 -3.439 4.791 0.797 66 3HG2 ILE 7 HG23 ILE 7 -3.422 6.551 0.710 67 1HD1 ILE 7 HD11 ILE 7 -1.650 6.323 5.165 68 2HD1 ILE 7 HD12 ILE 7 -1.769 8.060 4.882 69 3HD1 ILE 7 HD13 ILE 7 -0.740 7.067 3.850 70 H ILE 8 HN ILE 8 -4.546 4.858 4.568 71 HA ILE 8 HA ILE 8 -5.994 2.567 3.292 72 HB ILE 8 HB ILE 8 -5.952 3.331 6.229 73 1HG1 ILE 8 HG12 ILE 8 -4.800 0.888 4.842 74 2HG1 ILE 8 HG11 ILE 8 -3.841 2.270 5.374 75 1HG2 ILE 8 HG21 ILE 8 -8.090 2.326 5.288 76 2HG2 ILE 8 HG22 ILE 8 -7.335 1.404 6.587 77 3HG2 ILE 8 HG23 ILE 8 -7.149 0.882 4.913 78 1HD1 ILE 8 HD11 ILE 8 -4.798 1.891 7.700 79 2HD1 ILE 8 HD12 ILE 8 -3.700 0.637 7.124 80 3HD1 ILE 8 HD13 ILE 8 -5.442 0.364 7.096 81 H ASN 9 HN ASN 9 -6.829 4.528 2.014 82 HA ASN 9 HA ASN 9 -8.788 6.186 3.520 83 1HB ASN 9 HB2 ASN 9 -7.376 6.256 0.888 84 2HB ASN 9 HB1 ASN 9 -8.942 7.058 0.983 85 1HD2 ASN 9 HD21 ASN 9 -6.317 8.397 0.692 86 2HD2 ASN 9 HD22 ASN 9 -6.132 9.389 2.057 87 H GLY 10 HN GLY 10 -9.473 3.518 3.478 88 1HA GLY 10 HA2 GLY 10 -11.517 3.250 1.321 89 2HA GLY 10 HA1 GLY 10 -10.863 1.906 2.264 90 H LYS 11 HN LYS 11 -13.626 2.299 2.036 91 HA LYS 11 HA LYS 11 -14.624 3.707 4.410 92 1HB LYS 11 HB2 LYS 11 -15.859 1.873 2.334 93 2HB LYS 11 HB1 LYS 11 -16.784 2.706 3.583 94 1HG LYS 11 HG2 LYS 11 -15.938 4.881 2.740 95 2HG LYS 11 HG1 LYS 11 -15.069 4.031 1.462 96 1HD LYS 11 HD2 LYS 11 -18.066 3.856 1.881 97 2HD LYS 11 HD1 LYS 11 -17.290 4.934 0.720 98 1HE LYS 11 HE2 LYS 11 -16.226 2.944 -0.366 99 2HE LYS 11 HE1 LYS 11 -17.139 1.899 0.740 100 1HZ LYS 11 HZ1 LYS 11 -18.307 3.916 -1.106 101 2HZ LYS 11 HZ2 LYS 11 -19.186 2.953 -0.016 102 3HZ LYS 11 HZ3 LYS 11 -18.364 2.234 -1.318 103 H THR 12 HN THR 12 -12.981 0.819 4.118 104 HA THR 12 HA THR 12 -14.615 -0.542 6.227 105 HB THR 12 HB THR 12 -12.442 -1.716 4.476 106 HG1 THR 12 HG1 THR 12 -13.775 -1.585 2.884 107 1HG2 THR 12 HG21 THR 12 -14.630 -2.764 6.245 108 2HG2 THR 12 HG22 THR 12 -12.937 -3.250 6.163 109 3HG2 THR 12 HG23 THR 12 -14.058 -3.741 4.893 110 H LEU 13 HN LEU 13 -11.431 0.725 5.389 111 HA LEU 13 HA LEU 13 -10.574 0.254 8.225 112 1HB LEU 13 HB2 LEU 13 -9.180 -0.414 5.626 113 2HB LEU 13 HB1 LEU 13 -8.286 -0.249 7.138 114 HG LEU 13 HG LEU 13 -10.719 -1.961 7.209 115 1HD1 LEU 13 HD11 LEU 13 -8.183 -3.201 6.208 116 2HD1 LEU 13 HD12 LEU 13 -9.243 -2.400 5.048 117 3HD1 LEU 13 HD13 LEU 13 -9.848 -3.747 6.011 118 1HD2 LEU 13 HD21 LEU 13 -9.403 -3.191 8.802 119 2HD2 LEU 13 HD22 LEU 13 -9.134 -1.481 9.139 120 3HD2 LEU 13 HD23 LEU 13 -7.916 -2.409 8.265 121 H LYS 14 HN LYS 14 -8.646 1.670 8.772 122 HA LYS 14 HA LYS 14 -8.225 4.048 7.070 123 1HB LYS 14 HB2 LYS 14 -10.370 4.182 8.591 124 2HB LYS 14 HB1 LYS 14 -9.204 4.476 9.881 125 1HG LYS 14 HG2 LYS 14 -8.307 6.401 8.723 126 2HG LYS 14 HG1 LYS 14 -9.282 6.052 7.295 127 1HD LYS 14 HD2 LYS 14 -11.297 6.215 8.973 128 2HD LYS 14 HD1 LYS 14 -10.153 7.121 9.963 129 1HE LYS 14 HE2 LYS 14 -10.019 8.879 8.442 130 2HE LYS 14 HE1 LYS 14 -10.430 7.845 7.059 131 1HZ LYS 14 HZ1 LYS 14 -12.256 8.652 9.262 132 2HZ LYS 14 HZ2 LYS 14 -12.653 7.549 8.032 133 3HZ LYS 14 HZ3 LYS 14 -12.337 9.174 7.650 134 H GLY 15 HN GLY 15 -6.186 4.903 7.454 135 1HA GLY 15 HA2 GLY 15 -4.552 5.471 9.360 136 2HA GLY 15 HA1 GLY 15 -4.658 3.754 9.749 137 H GLU 16 HN GLU 16 -2.700 2.916 9.174 138 HA GLU 16 HA GLU 16 -1.951 2.857 6.342 139 1HB GLU 16 HB2 GLU 16 0.230 3.994 6.729 140 2HB GLU 16 HB1 GLU 16 -1.131 5.067 7.048 141 1HG GLU 16 HG2 GLU 16 -0.892 4.194 9.516 142 2HG GLU 16 HG1 GLU 16 0.736 3.751 9.003 143 H THR 17 HN THR 17 -0.015 1.444 6.018 144 HA THR 17 HA THR 17 0.747 -0.218 8.374 145 HB THR 17 HB THR 17 -0.305 -1.319 5.749 146 HG1 THR 17 HG1 THR 17 -1.560 -1.207 8.287 147 1HG2 THR 17 HG21 THR 17 0.551 -2.542 8.374 148 2HG2 THR 17 HG22 THR 17 1.147 -2.909 6.755 149 3HG2 THR 17 HG23 THR 17 -0.477 -3.406 7.230 150 H THR 18 HN THR 18 2.779 -1.274 8.086 151 HA THR 18 HA THR 18 4.290 -0.527 5.602 152 HB THR 18 HB THR 18 6.245 -0.426 7.313 153 HG1 THR 18 HG1 THR 18 4.971 -1.389 8.991 154 1HG2 THR 18 HG21 THR 18 4.797 1.488 6.194 155 2HG2 THR 18 HG22 THR 18 5.938 1.865 7.484 156 3HG2 THR 18 HG23 THR 18 4.218 1.713 7.845 157 H THR 19 HN THR 19 6.111 -2.026 5.139 158 HA THR 19 HA THR 19 6.094 -4.643 6.525 159 HB THR 19 HB THR 19 4.258 -4.762 4.887 160 HG1 THR 19 HG1 THR 19 5.173 -6.687 4.970 161 1HG2 THR 19 HG21 THR 19 6.281 -4.337 2.691 162 2HG2 THR 19 HG22 THR 19 5.392 -2.981 3.385 163 3HG2 THR 19 HG23 THR 19 4.521 -4.292 2.589 164 H GLU 20 HN GLU 20 7.617 -6.134 4.878 165 HA GLU 20 HA GLU 20 10.081 -4.479 4.429 166 1HB GLU 20 HB2 GLU 20 9.768 -6.376 6.265 167 2HB GLU 20 HB1 GLU 20 10.097 -7.442 4.898 168 1HG GLU 20 HG2 GLU 20 12.253 -6.592 4.581 169 2HG GLU 20 HG1 GLU 20 11.884 -5.080 5.413 170 H ALA 21 HN ALA 21 10.221 -4.166 2.224 171 HA ALA 21 HA ALA 21 10.066 -6.587 0.473 172 1HB ALA 21 HB1 ALA 21 9.025 -3.983 -0.543 173 2HB ALA 21 HB2 ALA 21 8.037 -4.822 0.654 174 3HB ALA 21 HB3 ALA 21 8.452 -5.620 -0.863 175 H VAL 22 HN VAL 22 11.691 -6.627 -1.077 176 HA VAL 22 HA VAL 22 13.989 -4.997 -0.874 177 HB VAL 22 HB VAL 22 14.558 -6.082 -3.029 178 1HG1 VAL 22 HG11 VAL 22 13.411 -7.566 -0.725 179 2HG1 VAL 22 HG12 VAL 22 15.053 -7.581 -1.367 180 3HG1 VAL 22 HG13 VAL 22 13.783 -8.499 -2.175 181 1HG2 VAL 22 HG21 VAL 22 12.954 -7.472 -4.196 182 2HG2 VAL 22 HG22 VAL 22 12.258 -5.864 -4.023 183 3HG2 VAL 22 HG23 VAL 22 11.733 -7.169 -2.963 184 H ASP 23 HN ASP 23 11.052 -4.571 -2.787 185 HA ASP 23 HA ASP 23 11.575 -1.763 -3.219 186 1HB ASP 23 HB2 ASP 23 11.853 -1.945 -5.715 187 2HB ASP 23 HB1 ASP 23 13.208 -2.603 -4.803 188 H ALA 24 HN ALA 24 9.948 -0.993 -5.098 189 HA ALA 24 HA ALA 24 7.315 -1.494 -4.260 190 1HB ALA 24 HB1 ALA 24 8.614 -0.404 -6.738 191 2HB ALA 24 HB2 ALA 24 7.678 0.449 -5.510 192 3HB ALA 24 HB3 ALA 24 6.860 -0.579 -6.686 193 H ALA 25 HN ALA 25 9.305 -3.306 -6.499 194 HA ALA 25 HA ALA 25 7.312 -4.696 -7.986 195 1HB ALA 25 HB1 ALA 25 9.139 -5.862 -8.757 196 2HB ALA 25 HB2 ALA 25 9.773 -6.136 -7.135 197 3HB ALA 25 HB3 ALA 25 10.017 -4.578 -7.925 198 H THR 26 HN THR 26 8.426 -5.121 -4.680 199 HA THR 26 HA THR 26 6.772 -7.613 -4.441 200 HB THR 26 HB THR 26 8.955 -6.584 -2.608 201 HG1 THR 26 HG1 THR 26 9.975 -6.912 -4.500 202 1HG2 THR 26 HG21 THR 26 7.545 -9.226 -2.996 203 2HG2 THR 26 HG22 THR 26 7.655 -8.258 -1.526 204 3HG2 THR 26 HG23 THR 26 9.080 -9.099 -2.137 205 H ALA 27 HN ALA 27 7.267 -4.354 -3.230 206 HA ALA 27 HA ALA 27 5.853 -4.451 -0.768 207 1HB ALA 27 HB1 ALA 27 6.047 -2.148 -0.899 208 2HB ALA 27 HB2 ALA 27 5.558 -2.104 -2.593 209 3HB ALA 27 HB3 ALA 27 7.196 -2.594 -2.161 210 H GLU 28 HN GLU 28 4.608 -3.691 -4.040 211 HA GLU 28 HA GLU 28 1.863 -3.337 -3.314 212 1HB GLU 28 HB2 GLU 28 3.033 -2.718 -5.463 213 2HB GLU 28 HB1 GLU 28 3.018 -4.427 -5.901 214 1HG GLU 28 HG2 GLU 28 0.443 -4.236 -5.370 215 2HG GLU 28 HG1 GLU 28 0.717 -2.517 -5.655 216 H LYS 29 HN LYS 29 3.704 -6.263 -4.172 217 HA LYS 29 HA LYS 29 1.568 -8.099 -4.485 218 1HB LYS 29 HB2 LYS 29 4.433 -8.187 -3.667 219 2HB LYS 29 HB1 LYS 29 3.468 -9.640 -3.417 220 1HG LYS 29 HG2 LYS 29 2.685 -9.237 -5.879 221 2HG LYS 29 HG1 LYS 29 4.139 -8.245 -5.993 222 1HD LYS 29 HD2 LYS 29 5.459 -10.201 -5.122 223 2HD LYS 29 HD1 LYS 29 3.992 -11.175 -5.234 224 1HE LYS 29 HE2 LYS 29 3.893 -10.922 -7.620 225 2HE LYS 29 HE1 LYS 29 5.140 -9.659 -7.599 226 1HZ LYS 29 HZ1 LYS 29 6.194 -11.718 -8.143 227 2HZ LYS 29 HZ2 LYS 29 5.468 -12.509 -6.827 228 3HZ LYS 29 HZ3 LYS 29 6.645 -11.314 -6.559 229 H VAL 30 HN VAL 30 3.194 -7.009 -1.508 230 HA VAL 30 HA VAL 30 1.576 -8.758 0.212 231 HB VAL 30 HB VAL 30 3.495 -6.461 0.748 232 1HG1 VAL 30 HG11 VAL 30 2.163 -8.472 2.573 233 2HG1 VAL 30 HG12 VAL 30 2.174 -6.714 2.716 234 3HG1 VAL 30 HG13 VAL 30 3.648 -7.634 3.025 235 1HG2 VAL 30 HG21 VAL 30 4.330 -8.581 -0.443 236 2HG2 VAL 30 HG22 VAL 30 3.987 -9.428 1.066 237 3HG2 VAL 30 HG23 VAL 30 5.175 -8.124 1.037 238 H PHE 31 HN PHE 31 1.785 -5.247 -0.450 239 HA PHE 31 HA PHE 31 -0.350 -4.485 1.323 240 1HB PHE 31 HB2 PHE 31 1.127 -3.283 -1.005 241 2HB PHE 31 HB1 PHE 31 -0.278 -2.444 -0.346 242 HD1 PHE 31 HD1 PHE 31 -0.217 -2.789 2.473 243 HD2 PHE 31 HD2 PHE 31 3.110 -2.349 -0.209 244 HE1 PHE 31 HE1 PHE 31 1.171 -1.930 4.338 245 HE2 PHE 31 HE2 PHE 31 4.497 -1.490 1.659 246 HZ PHE 31 HZ PHE 31 3.529 -1.281 3.929 247 H LYS 32 HN LYS 32 -0.278 -5.437 -2.102 248 HA LYS 32 HA LYS 32 -2.981 -4.729 -2.751 249 1HB LYS 32 HB2 LYS 32 -1.189 -5.297 -4.378 250 2HB LYS 32 HB1 LYS 32 -1.209 -6.966 -3.805 251 1HG LYS 32 HG2 LYS 32 -3.372 -7.362 -4.668 252 2HG LYS 32 HG1 LYS 32 -3.725 -5.640 -4.812 253 1HD LYS 32 HD2 LYS 32 -2.079 -5.421 -6.611 254 2HD LYS 32 HD1 LYS 32 -1.638 -7.121 -6.439 255 1HE LYS 32 HE2 LYS 32 -4.525 -6.444 -6.914 256 2HE LYS 32 HE1 LYS 32 -3.398 -6.406 -8.286 257 1HZ LYS 32 HZ1 LYS 32 -3.706 -8.659 -6.370 258 2HZ LYS 32 HZ2 LYS 32 -2.629 -8.612 -7.683 259 3HZ LYS 32 HZ3 LYS 32 -4.306 -8.636 -7.956 260 H GLN 33 HN GLN 33 -1.526 -7.749 -1.523 261 HA GLN 33 HA GLN 33 -3.944 -9.291 -1.438 262 1HB GLN 33 HB2 GLN 33 -1.631 -10.191 -1.323 263 2HB GLN 33 HB1 GLN 33 -1.429 -9.434 0.255 264 1HG GLN 33 HG2 GLN 33 -2.009 -11.802 0.532 265 2HG GLN 33 HG1 GLN 33 -3.319 -10.785 1.131 266 1HE2 GLN 33 HE21 GLN 33 -2.516 -11.687 -2.268 267 2HE2 GLN 33 HE22 GLN 33 -4.018 -12.409 -2.585 268 H TYR 34 HN TYR 34 -2.501 -6.975 0.720 269 HA TYR 34 HA TYR 34 -4.151 -7.504 3.042 270 1HB TYR 34 HB2 TYR 34 -2.115 -6.373 3.421 271 2HB TYR 34 HB1 TYR 34 -2.327 -5.322 2.026 272 HD1 TYR 34 HD1 TYR 34 -3.406 -5.974 5.509 273 HD2 TYR 34 HD2 TYR 34 -3.533 -3.252 2.195 274 HE1 TYR 34 HE1 TYR 34 -4.358 -4.220 6.988 275 HE2 TYR 34 HE2 TYR 34 -4.483 -1.496 3.665 276 HH TYR 34 HH TYR 34 -5.966 -1.818 6.186 277 H ALA 35 HN ALA 35 -4.310 -5.171 0.348 278 HA ALA 35 HA ALA 35 -6.817 -3.971 1.234 279 1HB ALA 35 HB1 ALA 35 -5.714 -2.477 -0.103 280 2HB ALA 35 HB2 ALA 35 -6.498 -3.346 -1.423 281 3HB ALA 35 HB3 ALA 35 -4.846 -3.755 -0.959 282 H ASN 36 HN ASN 36 -5.871 -6.360 -1.234 283 HA ASN 36 HA ASN 36 -8.383 -6.750 -2.471 284 1HB ASN 36 HB2 ASN 36 -6.085 -7.586 -3.148 285 2HB ASN 36 HB1 ASN 36 -6.263 -8.843 -1.922 286 1HD2 ASN 36 HD21 ASN 36 -6.856 -10.757 -2.947 287 2HD2 ASN 36 HD22 ASN 36 -7.997 -10.881 -4.198 288 H ASP 37 HN ASP 37 -6.999 -8.203 0.457 289 HA ASP 37 HA ASP 37 -9.106 -10.135 0.895 290 1HB ASP 37 HB2 ASP 37 -6.711 -10.022 1.827 291 2HB ASP 37 HB1 ASP 37 -7.331 -8.835 2.975 292 H ASN 38 HN ASN 38 -8.428 -6.946 2.388 293 HA ASN 38 HA ASN 38 -10.876 -6.870 3.930 294 1HB ASN 38 HB2 ASN 38 -8.850 -4.816 3.006 295 2HB ASN 38 HB1 ASN 38 -10.193 -4.409 4.076 296 1HD2 ASN 38 HD21 ASN 38 -7.074 -4.768 4.449 297 2HD2 ASN 38 HD22 ASN 38 -6.978 -5.697 5.866 298 H GLY 39 HN GLY 39 -9.884 -5.228 0.905 299 1HA GLY 39 HA2 GLY 39 -11.665 -5.316 -0.919 300 2HA GLY 39 HA1 GLY 39 -12.780 -4.753 0.326 301 H ILE 40 HN ILE 40 -9.462 -3.743 -0.592 302 HA ILE 40 HA ILE 40 -10.511 -0.937 -0.774 303 HB ILE 40 HB ILE 40 -7.767 -2.004 -0.024 304 1HG1 ILE 40 HG12 ILE 40 -9.904 -0.638 1.647 305 2HG1 ILE 40 HG11 ILE 40 -9.564 -2.368 1.669 306 1HG2 ILE 40 HG21 ILE 40 -8.881 0.806 -0.261 307 2HG2 ILE 40 HG22 ILE 40 -7.451 0.144 -1.066 308 3HG2 ILE 40 HG23 ILE 40 -7.434 0.436 0.676 309 1HD1 ILE 40 HD11 ILE 40 -8.442 -1.129 3.531 310 2HD1 ILE 40 HD12 ILE 40 -7.529 -0.219 2.328 311 3HD1 ILE 40 HD13 ILE 40 -7.301 -1.962 2.474 312 H ASP 41 HN ASP 41 -11.006 -1.637 -3.091 313 HA ASP 41 HA ASP 41 -8.601 -1.777 -4.850 314 1HB ASP 41 HB2 ASP 41 -10.832 -3.230 -4.873 315 2HB ASP 41 HB1 ASP 41 -11.451 -1.859 -5.793 316 H GLY 42 HN GLY 42 -9.151 0.670 -3.460 317 1HA GLY 42 HA2 GLY 42 -10.650 2.559 -4.986 318 2HA GLY 42 HA1 GLY 42 -9.384 2.951 -3.822 319 H GLU 43 HN GLU 43 -8.190 4.421 -4.923 320 HA GLU 43 HA GLU 43 -7.177 3.690 -7.608 321 1HB GLU 43 HB2 GLU 43 -7.581 6.337 -6.191 322 2HB GLU 43 HB1 GLU 43 -6.798 6.189 -7.765 323 1HG GLU 43 HG2 GLU 43 -9.466 4.891 -7.408 324 2HG GLU 43 HG1 GLU 43 -9.417 6.647 -7.566 325 H TRP 44 HN TRP 44 -5.190 2.749 -7.314 326 HA TRP 44 HA TRP 44 -3.524 3.376 -5.043 327 1HB TRP 44 HB2 TRP 44 -3.336 1.615 -7.470 328 2HB TRP 44 HB1 TRP 44 -1.980 1.774 -6.346 329 HD1 TRP 44 HD1 TRP 44 -5.763 0.986 -6.227 330 HE1 TRP 44 HE1 TRP 44 -6.172 -0.671 -4.292 331 HE3 TRP 44 HE3 TRP 44 -1.025 0.629 -4.351 332 HZ2 TRP 44 HZ2 TRP 44 -4.689 -1.953 -2.217 333 HZ3 TRP 44 HZ3 TRP 44 -0.552 -0.820 -2.397 334 HH2 TRP 44 HH2 TRP 44 -2.376 -2.116 -1.331 335 H THR 45 HN THR 45 -1.628 4.477 -4.990 336 HA THR 45 HA THR 45 -0.399 5.594 -7.420 337 HB THR 45 HB THR 45 -0.585 7.916 -6.207 338 HG1 THR 45 HG1 THR 45 -2.345 8.099 -4.894 339 1HG2 THR 45 HG21 THR 45 -1.699 7.087 -8.380 340 2HG2 THR 45 HG22 THR 45 -2.447 8.457 -7.559 341 3HG2 THR 45 HG23 THR 45 -3.141 6.844 -7.395 342 H TYR 46 HN TYR 46 1.780 5.677 -7.049 343 HA TYR 46 HA TYR 46 2.724 5.150 -4.273 344 1HB TYR 46 HB2 TYR 46 3.403 3.523 -5.881 345 2HB TYR 46 HB1 TYR 46 3.780 4.748 -7.084 346 HD1 TYR 46 HD1 TYR 46 5.856 6.039 -6.965 347 HD2 TYR 46 HD2 TYR 46 4.974 2.989 -4.074 348 HE1 TYR 46 HE1 TYR 46 8.226 6.037 -6.243 349 HE2 TYR 46 HE2 TYR 46 7.333 2.983 -3.356 350 HH TYR 46 HH TYR 46 9.510 3.602 -4.167 351 H ASP 47 HN ASP 47 4.032 6.622 -3.216 352 HA ASP 47 HA ASP 47 4.641 9.195 -4.622 353 1HB ASP 47 HB2 ASP 47 3.140 8.966 -2.519 354 2HB ASP 47 HB1 ASP 47 4.644 8.664 -1.647 355 H ASP 48 HN ASP 48 6.746 9.242 -5.298 356 HA ASP 48 HA ASP 48 8.834 7.541 -4.247 357 1HB ASP 48 HB2 ASP 48 8.508 8.709 -6.554 358 2HB ASP 48 HB1 ASP 48 9.252 10.107 -5.777 359 H ALA 49 HN ALA 49 7.579 10.620 -3.223 360 HA ALA 49 HA ALA 49 9.804 11.894 -2.086 361 1HB ALA 49 HB1 ALA 49 7.536 12.831 -2.269 362 2HB ALA 49 HB2 ALA 49 8.102 12.926 -0.601 363 3HB ALA 49 HB3 ALA 49 6.954 11.673 -1.072 364 H THR 50 HN THR 50 7.736 9.349 -0.675 365 HA THR 50 HA THR 50 9.934 8.664 1.213 366 HB THR 50 HB THR 50 8.317 8.753 3.097 367 HG1 THR 50 HG1 THR 50 6.280 9.491 2.751 368 1HG2 THR 50 HG21 THR 50 8.271 11.142 3.323 369 2HG2 THR 50 HG22 THR 50 8.301 11.366 1.573 370 3HG2 THR 50 HG23 THR 50 9.726 10.746 2.407 371 H LYS 51 HN LYS 51 8.375 7.437 -1.172 372 HA LYS 51 HA LYS 51 7.506 5.325 -1.776 373 1HB LYS 51 HB2 LYS 51 9.578 5.076 0.260 374 2HB LYS 51 HB1 LYS 51 8.453 3.721 0.337 375 1HG LYS 51 HG2 LYS 51 9.887 2.917 -1.280 376 2HG LYS 51 HG1 LYS 51 8.758 3.796 -2.311 377 1HD LYS 51 HD2 LYS 51 11.027 4.412 -2.939 378 2HD LYS 51 HD1 LYS 51 10.261 5.796 -2.160 379 1HE LYS 51 HE2 LYS 51 11.618 5.670 -0.298 380 2HE LYS 51 HE1 LYS 51 11.754 3.903 -0.392 381 1HZ LYS 51 HZ1 LYS 51 13.169 4.084 -2.285 382 2HZ LYS 51 HZ2 LYS 51 13.805 5.103 -1.083 383 3HZ LYS 51 HZ3 LYS 51 12.934 5.761 -2.386 384 H THR 52 HN THR 52 5.243 5.665 -1.427 385 HA THR 52 HA THR 52 4.139 4.202 0.887 386 HB THR 52 HB THR 52 3.562 7.138 0.390 387 HG1 THR 52 HG1 THR 52 5.098 7.514 1.757 388 1HG2 THR 52 HG21 THR 52 2.645 5.185 2.515 389 2HG2 THR 52 HG22 THR 52 1.636 6.020 1.333 390 3HG2 THR 52 HG23 THR 52 2.421 6.931 2.623 391 H PHE 53 HN PHE 53 2.835 2.844 -0.322 392 HA PHE 53 HA PHE 53 1.484 3.527 -2.771 393 1HB PHE 53 HB2 PHE 53 1.123 1.410 -0.629 394 2HB PHE 53 HB1 PHE 53 0.135 1.438 -2.089 395 HD1 PHE 53 HD1 PHE 53 1.044 0.828 -4.235 396 HD2 PHE 53 HD2 PHE 53 3.583 1.070 -0.779 397 HE1 PHE 53 HE1 PHE 53 2.856 -0.316 -5.484 398 HE2 PHE 53 HE2 PHE 53 5.393 -0.073 -2.026 399 HZ PHE 53 HZ PHE 53 5.030 -0.768 -4.380 400 H THR 54 HN THR 54 -0.456 4.649 -3.045 401 HA THR 54 HA THR 54 -2.032 5.223 -0.546 402 HB THR 54 HB THR 54 -1.507 6.972 -2.963 403 HG1 THR 54 HG1 THR 54 -0.203 8.101 -1.440 404 1HG2 THR 54 HG21 THR 54 -3.624 7.153 -1.256 405 2HG2 THR 54 HG22 THR 54 -2.887 8.540 -2.057 406 3HG2 THR 54 HG23 THR 54 -2.428 8.129 -0.405 407 H VAL 55 HN VAL 55 -3.783 3.744 -0.847 408 HA VAL 55 HA VAL 55 -5.301 3.942 -3.378 409 HB VAL 55 HB VAL 55 -4.642 1.665 -2.543 410 1HG1 VAL 55 HG11 VAL 55 -4.851 2.266 -0.104 411 2HG1 VAL 55 HG12 VAL 55 -5.628 0.745 -0.559 412 3HG1 VAL 55 HG13 VAL 55 -6.602 2.207 -0.324 413 1HG2 VAL 55 HG21 VAL 55 -7.623 2.084 -2.393 414 2HG2 VAL 55 HG22 VAL 55 -6.769 0.636 -2.922 415 3HG2 VAL 55 HG23 VAL 55 -6.721 2.098 -3.908 416 H THR 56 HN THR 56 -7.759 3.959 -3.028 417 HA THR 56 HA THR 56 -8.738 5.117 -0.510 418 HB THR 56 HB THR 56 -8.575 6.653 -3.119 419 HG1 THR 56 HG1 THR 56 -6.950 7.670 -2.225 420 1HG2 THR 56 HG21 THR 56 -10.534 6.890 -1.183 421 2HG2 THR 56 HG22 THR 56 -10.049 8.168 -2.296 422 3HG2 THR 56 HG23 THR 56 -9.350 8.095 -0.679 423 H GLU 57 HN GLU 57 -10.537 3.780 -0.374 424 HA GLU 57 HA GLU 57 -12.076 3.041 -2.781 425 1HB GLU 57 HB2 GLU 57 -11.426 1.785 -0.468 426 2HB GLU 57 HB1 GLU 57 -13.015 2.413 -0.029 427 1HG GLU 57 HG2 GLU 57 -12.577 0.960 -2.636 428 2HG GLU 57 HG1 GLU 57 -12.924 0.082 -1.146 Start of MODEL 13 1 1H MET 1 HT1 MET 1 17.616 -0.662 0.449 2 2H MET 1 HT2 MET 1 18.116 -1.293 1.945 3 3H MET 1 HT3 MET 1 17.679 0.344 1.813 4 HA MET 1 HA MET 1 15.771 -1.870 1.282 5 1HB MET 1 HB2 MET 1 15.025 -1.435 3.625 6 2HB MET 1 HB1 MET 1 16.675 -2.050 3.555 7 1HG MET 1 HG2 MET 1 16.345 0.912 3.460 8 2HG MET 1 HG1 MET 1 16.005 0.125 5.000 9 1HE MET 1 HE1 MET 1 18.884 2.214 4.266 10 2HE MET 1 HE2 MET 1 19.300 1.518 5.831 11 3HE MET 1 HE3 MET 1 17.622 1.911 5.468 12 H THR 2 HN THR 2 13.507 -0.909 1.789 13 HA THR 2 HA THR 2 13.292 2.017 1.342 14 HB THR 2 HB THR 2 12.122 -0.061 -0.535 15 HG1 THR 2 HG1 THR 2 14.214 0.016 -1.046 16 1HG2 THR 2 HG21 THR 2 11.678 1.991 -1.932 17 2HG2 THR 2 HG22 THR 2 12.141 2.966 -0.537 18 3HG2 THR 2 HG23 THR 2 10.732 1.908 -0.444 19 H THR 3 HN THR 3 11.879 2.514 2.975 20 HA THR 3 HA THR 3 9.842 0.636 3.874 21 HB THR 3 HB THR 3 10.350 3.501 4.697 22 HG1 THR 3 HG1 THR 3 11.507 1.129 5.728 23 1HG2 THR 3 HG21 THR 3 9.490 1.293 6.524 24 2HG2 THR 3 HG22 THR 3 8.293 2.004 5.442 25 3HG2 THR 3 HG23 THR 3 9.138 3.019 6.610 26 H PHE 4 HN PHE 4 8.274 0.509 2.184 27 HA PHE 4 HA PHE 4 7.143 2.933 0.976 28 1HB PHE 4 HB2 PHE 4 6.481 -0.025 0.909 29 2HB PHE 4 HB1 PHE 4 5.607 1.176 -0.038 30 HD1 PHE 4 HD1 PHE 4 8.725 -0.692 0.347 31 HD2 PHE 4 HD2 PHE 4 6.758 2.444 -1.830 32 HE1 PHE 4 HE1 PHE 4 10.486 -0.797 -1.393 33 HE2 PHE 4 HE2 PHE 4 8.522 2.340 -3.570 34 HZ PHE 4 HZ PHE 4 10.384 0.721 -3.352 35 H LYS 5 HN LYS 5 4.721 3.318 1.128 36 HA LYS 5 HA LYS 5 3.541 2.447 3.738 37 1HB LYS 5 HB2 LYS 5 4.770 4.671 3.833 38 2HB LYS 5 HB1 LYS 5 3.569 5.295 2.703 39 1HG LYS 5 HG2 LYS 5 1.889 5.290 4.270 40 2HG LYS 5 HG1 LYS 5 2.534 3.878 5.107 41 1HD LYS 5 HD2 LYS 5 2.909 5.678 6.606 42 2HD LYS 5 HD1 LYS 5 4.472 5.412 5.833 43 1HE LYS 5 HE2 LYS 5 4.269 7.727 5.590 44 2HE LYS 5 HE1 LYS 5 3.504 7.187 4.082 45 1HZ LYS 5 HZ1 LYS 5 2.118 7.761 6.649 46 2HZ LYS 5 HZ2 LYS 5 1.369 7.135 5.258 47 3HZ LYS 5 HZ3 LYS 5 2.035 8.698 5.238 48 H LEU 6 HN LEU 6 1.587 1.543 3.228 49 HA LEU 6 HA LEU 6 0.160 2.387 0.761 50 1HB LEU 6 HB2 LEU 6 0.547 0.005 1.157 51 2HB LEU 6 HB1 LEU 6 -0.199 0.118 2.750 52 HG LEU 6 HG LEU 6 -2.334 0.848 1.604 53 1HD1 LEU 6 HD11 LEU 6 -1.573 1.642 -0.502 54 2HD1 LEU 6 HD12 LEU 6 -2.419 0.137 -0.864 55 3HD1 LEU 6 HD13 LEU 6 -0.655 0.169 -0.813 56 1HD2 LEU 6 HD21 LEU 6 -2.575 -1.567 0.474 57 2HD2 LEU 6 HD22 LEU 6 -2.501 -1.370 2.225 58 3HD2 LEU 6 HD23 LEU 6 -1.055 -1.838 1.327 59 H ILE 7 HN ILE 7 -1.523 3.825 0.914 60 HA ILE 7 HA ILE 7 -2.515 4.737 3.497 61 HB ILE 7 HB ILE 7 -2.243 5.900 1.114 62 1HG1 ILE 7 HG12 ILE 7 -4.153 7.474 1.795 63 2HG1 ILE 7 HG11 ILE 7 -4.420 6.373 3.146 64 1HG2 ILE 7 HG21 ILE 7 -4.193 5.991 -0.239 65 2HG2 ILE 7 HG22 ILE 7 -5.170 5.165 0.974 66 3HG2 ILE 7 HG23 ILE 7 -3.934 4.278 0.085 67 1HD1 ILE 7 HD11 ILE 7 -1.815 7.787 2.505 68 2HD1 ILE 7 HD12 ILE 7 -2.065 6.667 3.844 69 3HD1 ILE 7 HD13 ILE 7 -2.922 8.208 3.812 70 H ILE 8 HN ILE 8 -5.005 4.638 3.912 71 HA ILE 8 HA ILE 8 -6.078 1.999 2.968 72 HB ILE 8 HB ILE 8 -6.189 3.228 5.746 73 1HG1 ILE 8 HG12 ILE 8 -4.695 0.778 4.755 74 2HG1 ILE 8 HG11 ILE 8 -3.944 2.351 5.023 75 1HG2 ILE 8 HG21 ILE 8 -7.155 1.060 6.403 76 2HG2 ILE 8 HG22 ILE 8 -7.112 0.524 4.724 77 3HG2 ILE 8 HG23 ILE 8 -8.171 1.850 5.200 78 1HD1 ILE 8 HD11 ILE 8 -3.970 0.490 6.932 79 2HD1 ILE 8 HD12 ILE 8 -5.561 1.183 7.248 80 3HD1 ILE 8 HD13 ILE 8 -4.124 2.203 7.321 81 H ASN 9 HN ASN 9 -7.158 3.614 1.398 82 HA ASN 9 HA ASN 9 -9.404 5.127 2.638 83 1HB ASN 9 HB2 ASN 9 -7.734 5.271 0.243 84 2HB ASN 9 HB1 ASN 9 -9.446 5.394 -0.160 85 1HD2 ASN 9 HD21 ASN 9 -7.055 7.449 0.170 86 2HD2 ASN 9 HD22 ASN 9 -7.773 8.699 1.068 87 H GLY 10 HN GLY 10 -9.654 2.399 2.933 88 1HA GLY 10 HA2 GLY 10 -11.474 1.470 0.771 89 2HA GLY 10 HA1 GLY 10 -10.765 0.447 2.024 90 H LYS 11 HN LYS 11 -13.474 0.293 1.549 91 HA LYS 11 HA LYS 11 -14.913 1.986 3.485 92 1HB LYS 11 HB2 LYS 11 -15.720 1.109 1.212 93 2HB LYS 11 HB1 LYS 11 -15.893 -0.459 2.000 94 1HG LYS 11 HG2 LYS 11 -17.204 0.978 3.810 95 2HG LYS 11 HG1 LYS 11 -17.436 2.068 2.444 96 1HD LYS 11 HD2 LYS 11 -18.304 0.128 1.114 97 2HD LYS 11 HD1 LYS 11 -18.203 -0.862 2.571 98 1HE LYS 11 HE2 LYS 11 -20.352 -0.156 2.928 99 2HE LYS 11 HE1 LYS 11 -19.591 1.350 3.478 100 1HZ LYS 11 HZ1 LYS 11 -20.407 0.712 0.691 101 2HZ LYS 11 HZ2 LYS 11 -19.584 2.120 1.166 102 3HZ LYS 11 HZ3 LYS 11 -21.163 1.828 1.721 103 H THR 12 HN THR 12 -12.824 -0.507 3.966 104 HA THR 12 HA THR 12 -14.480 -1.770 6.119 105 HB THR 12 HB THR 12 -12.007 -2.811 4.703 106 HG1 THR 12 HG1 THR 12 -13.275 -3.416 3.162 107 1HG2 THR 12 HG21 THR 12 -13.133 -5.009 5.538 108 2HG2 THR 12 HG22 THR 12 -14.003 -3.948 6.646 109 3HG2 THR 12 HG23 THR 12 -12.241 -4.022 6.697 110 H LEU 13 HN LEU 13 -11.356 -0.287 5.298 111 HA LEU 13 HA LEU 13 -10.829 0.021 8.235 112 1HB LEU 13 HB2 LEU 13 -9.333 -1.438 6.153 113 2HB LEU 13 HB1 LEU 13 -8.337 -0.350 7.118 114 HG LEU 13 HG LEU 13 -10.298 -2.146 8.505 115 1HD1 LEU 13 HD11 LEU 13 -8.846 -4.002 8.472 116 2HD1 LEU 13 HD12 LEU 13 -7.486 -3.042 7.891 117 3HD1 LEU 13 HD13 LEU 13 -8.818 -3.433 6.803 118 1HD2 LEU 13 HD21 LEU 13 -8.879 -1.818 10.354 119 2HD2 LEU 13 HD22 LEU 13 -8.819 -0.257 9.535 120 3HD2 LEU 13 HD23 LEU 13 -7.497 -1.407 9.338 121 H LYS 14 HN LYS 14 -9.096 1.723 8.608 122 HA LYS 14 HA LYS 14 -8.719 3.685 6.423 123 1HB LYS 14 HB2 LYS 14 -10.949 3.838 7.982 124 2HB LYS 14 HB1 LYS 14 -9.825 4.810 8.933 125 1HG LYS 14 HG2 LYS 14 -9.526 6.379 7.224 126 2HG LYS 14 HG1 LYS 14 -10.047 5.255 5.968 127 1HD LYS 14 HD2 LYS 14 -12.344 5.400 6.689 128 2HD LYS 14 HD1 LYS 14 -11.889 6.320 8.123 129 1HE LYS 14 HE2 LYS 14 -11.235 7.351 5.358 130 2HE LYS 14 HE1 LYS 14 -12.809 7.671 6.113 131 1HZ LYS 14 HZ1 LYS 14 -11.587 8.436 8.106 132 2HZ LYS 14 HZ2 LYS 14 -11.307 9.410 6.743 133 3HZ LYS 14 HZ3 LYS 14 -10.133 8.290 7.246 134 H GLY 15 HN GLY 15 -6.809 4.844 6.726 135 1HA GLY 15 HA2 GLY 15 -5.453 5.945 8.665 136 2HA GLY 15 HA1 GLY 15 -5.305 4.283 9.236 137 H GLU 16 HN GLU 16 -3.069 4.088 8.935 138 HA GLU 16 HA GLU 16 -2.180 3.912 6.090 139 1HB GLU 16 HB2 GLU 16 -1.220 5.698 8.283 140 2HB GLU 16 HB1 GLU 16 -0.001 5.020 7.203 141 1HG GLU 16 HG2 GLU 16 -0.765 6.188 5.378 142 2HG GLU 16 HG1 GLU 16 -2.441 6.154 5.928 143 H THR 17 HN THR 17 -0.007 2.750 5.983 144 HA THR 17 HA THR 17 0.733 1.097 8.314 145 HB THR 17 HB THR 17 -0.313 -0.157 5.757 146 HG1 THR 17 HG1 THR 17 -1.568 0.066 8.289 147 1HG2 THR 17 HG21 THR 17 0.361 -1.298 8.483 148 2HG2 THR 17 HG22 THR 17 1.296 -1.526 7.005 149 3HG2 THR 17 HG23 THR 17 -0.324 -2.211 7.139 150 H THR 18 HN THR 18 2.911 0.660 8.187 151 HA THR 18 HA THR 18 4.279 1.121 5.557 152 HB THR 18 HB THR 18 6.243 1.611 7.095 153 HG1 THR 18 HG1 THR 18 5.297 0.438 8.875 154 1HG2 THR 18 HG21 THR 18 3.699 3.230 7.381 155 2HG2 THR 18 HG22 THR 18 4.964 3.448 6.172 156 3HG2 THR 18 HG23 THR 18 5.295 3.804 7.867 157 H THR 19 HN THR 19 6.336 -0.212 5.322 158 HA THR 19 HA THR 19 6.493 -2.727 6.846 159 HB THR 19 HB THR 19 4.646 -3.129 5.268 160 HG1 THR 19 HG1 THR 19 5.781 -4.940 5.517 161 1HG2 THR 19 HG21 THR 19 4.870 -2.872 2.909 162 2HG2 THR 19 HG22 THR 19 6.615 -2.642 3.026 163 3HG2 THR 19 HG23 THR 19 5.519 -1.388 3.606 164 H GLU 20 HN GLU 20 8.328 -4.105 5.954 165 HA GLU 20 HA GLU 20 10.533 -2.334 5.017 166 1HB GLU 20 HB2 GLU 20 10.398 -4.013 7.089 167 2HB GLU 20 HB1 GLU 20 10.882 -5.185 5.863 168 1HG GLU 20 HG2 GLU 20 12.971 -4.462 6.527 169 2HG GLU 20 HG1 GLU 20 12.647 -3.275 5.263 170 H ALA 21 HN ALA 21 10.745 -2.324 2.808 171 HA ALA 21 HA ALA 21 10.818 -4.952 1.388 172 1HB ALA 21 HB1 ALA 21 9.086 -4.377 -0.010 173 2HB ALA 21 HB2 ALA 21 9.510 -2.665 0.009 174 3HB ALA 21 HB3 ALA 21 8.613 -3.367 1.356 175 H VAL 22 HN VAL 22 12.462 -5.014 -0.146 176 HA VAL 22 HA VAL 22 14.515 -3.052 -0.193 177 HB VAL 22 HB VAL 22 15.311 -4.410 -2.103 178 1HG1 VAL 22 HG11 VAL 22 15.172 -5.189 0.435 179 2HG1 VAL 22 HG12 VAL 22 15.776 -6.269 -0.822 180 3HG1 VAL 22 HG13 VAL 22 14.112 -6.418 -0.256 181 1HG2 VAL 22 HG21 VAL 22 13.645 -6.483 -2.482 182 2HG2 VAL 22 HG22 VAL 22 13.570 -5.026 -3.473 183 3HG2 VAL 22 HG23 VAL 22 12.452 -5.235 -2.126 184 H ASP 23 HN ASP 23 11.605 -3.432 -2.151 185 HA ASP 23 HA ASP 23 11.753 -0.704 -3.127 186 1HB ASP 23 HB2 ASP 23 12.143 -1.290 -5.501 187 2HB ASP 23 HB1 ASP 23 13.505 -1.776 -4.496 188 H ALA 24 HN ALA 24 10.035 -0.542 -5.074 189 HA ALA 24 HA ALA 24 7.488 -1.215 -4.094 190 1HB ALA 24 HB1 ALA 24 8.103 0.496 -5.824 191 2HB ALA 24 HB2 ALA 24 6.729 -0.504 -6.298 192 3HB ALA 24 HB3 ALA 24 8.325 -0.818 -6.980 193 H ALA 25 HN ALA 25 9.724 -3.152 -5.963 194 HA ALA 25 HA ALA 25 7.972 -5.048 -7.154 195 1HB ALA 25 HB1 ALA 25 10.490 -4.696 -7.425 196 2HB ALA 25 HB2 ALA 25 9.962 -6.377 -7.351 197 3HB ALA 25 HB3 ALA 25 10.686 -5.616 -5.934 198 H THR 26 HN THR 26 9.060 -4.703 -3.828 199 HA THR 26 HA THR 26 7.693 -7.266 -3.093 200 HB THR 26 HB THR 26 9.685 -5.550 -1.574 201 HG1 THR 26 HG1 THR 26 11.166 -7.121 -2.238 202 1HG2 THR 26 HG21 THR 26 8.851 -8.424 -1.119 203 2HG2 THR 26 HG22 THR 26 8.172 -7.058 -0.234 204 3HG2 THR 26 HG23 THR 26 9.888 -7.438 -0.089 205 H ALA 27 HN ALA 27 7.730 -3.787 -2.588 206 HA ALA 27 HA ALA 27 6.121 -3.610 -0.232 207 1HB ALA 27 HB1 ALA 27 7.469 -1.866 -1.684 208 2HB ALA 27 HB2 ALA 27 6.049 -1.334 -0.784 209 3HB ALA 27 HB3 ALA 27 5.927 -1.660 -2.512 210 H GLU 28 HN GLU 28 5.059 -3.115 -3.626 211 HA GLU 28 HA GLU 28 2.251 -3.189 -3.118 212 1HB GLU 28 HB2 GLU 28 3.818 -2.636 -5.224 213 2HB GLU 28 HB1 GLU 28 3.384 -4.290 -5.660 214 1HG GLU 28 HG2 GLU 28 0.954 -3.613 -5.218 215 2HG GLU 28 HG1 GLU 28 1.533 -1.946 -5.192 216 H LYS 29 HN LYS 29 4.559 -5.797 -3.850 217 HA LYS 29 HA LYS 29 2.721 -7.947 -4.190 218 1HB LYS 29 HB2 LYS 29 5.269 -7.789 -4.536 219 2HB LYS 29 HB1 LYS 29 5.407 -8.116 -2.809 220 1HG LYS 29 HG2 LYS 29 4.374 -10.250 -3.027 221 2HG LYS 29 HG1 LYS 29 3.803 -9.889 -4.657 222 1HD LYS 29 HD2 LYS 29 6.054 -9.924 -5.529 223 2HD LYS 29 HD1 LYS 29 6.735 -10.043 -3.906 224 1HE LYS 29 HE2 LYS 29 5.577 -12.249 -3.623 225 2HE LYS 29 HE1 LYS 29 5.042 -12.141 -5.312 226 1HZ LYS 29 HZ1 LYS 29 7.840 -12.135 -4.316 227 2HZ LYS 29 HZ2 LYS 29 7.408 -11.775 -5.919 228 3HZ LYS 29 HZ3 LYS 29 7.102 -13.319 -5.279 229 H VAL 30 HN VAL 30 4.182 -6.568 -1.256 230 HA VAL 30 HA VAL 30 2.830 -8.470 0.534 231 HB VAL 30 HB VAL 30 4.435 -5.922 0.957 232 1HG1 VAL 30 HG11 VAL 30 3.166 -6.216 2.947 233 2HG1 VAL 30 HG12 VAL 30 4.729 -6.961 3.293 234 3HG1 VAL 30 HG13 VAL 30 3.340 -7.972 2.891 235 1HG2 VAL 30 HG21 VAL 30 5.443 -8.640 1.652 236 2HG2 VAL 30 HG22 VAL 30 6.321 -7.239 1.039 237 3HG2 VAL 30 HG23 VAL 30 5.362 -8.229 -0.061 238 H PHE 31 HN PHE 31 2.606 -4.968 -0.188 239 HA PHE 31 HA PHE 31 0.402 -4.386 1.529 240 1HB PHE 31 HB2 PHE 31 1.649 -3.196 -0.931 241 2HB PHE 31 HB1 PHE 31 0.129 -2.526 -0.344 242 HD1 PHE 31 HD1 PHE 31 0.324 -2.679 2.553 243 HD2 PHE 31 HD2 PHE 31 3.376 -1.746 -0.323 244 HE1 PHE 31 HE1 PHE 31 1.557 -1.395 4.278 245 HE2 PHE 31 HE2 PHE 31 4.609 -0.466 1.405 246 HZ PHE 31 HZ PHE 31 3.701 -0.290 3.704 247 H LYS 32 HN LYS 32 0.542 -5.703 -1.754 248 HA LYS 32 HA LYS 32 -2.251 -5.415 -2.390 249 1HB LYS 32 HB2 LYS 32 -0.463 -5.889 -4.034 250 2HB LYS 32 HB1 LYS 32 -0.173 -7.455 -3.275 251 1HG LYS 32 HG2 LYS 32 -2.627 -7.987 -3.744 252 2HG LYS 32 HG1 LYS 32 -2.647 -6.546 -4.761 253 1HD LYS 32 HD2 LYS 32 -0.556 -7.575 -5.899 254 2HD LYS 32 HD1 LYS 32 -1.058 -9.081 -5.129 255 1HE LYS 32 HE2 LYS 32 -3.407 -8.535 -6.163 256 2HE LYS 32 HE1 LYS 32 -2.478 -7.487 -7.253 257 1HZ LYS 32 HZ1 LYS 32 -2.622 -9.753 -8.119 258 2HZ LYS 32 HZ2 LYS 32 -1.895 -10.350 -6.705 259 3HZ LYS 32 HZ3 LYS 32 -1.018 -9.340 -7.752 260 H GLN 33 HN GLN 33 -0.347 -8.090 -0.976 261 HA GLN 33 HA GLN 33 -2.504 -9.927 -0.592 262 1HB GLN 33 HB2 GLN 33 0.072 -10.192 -0.429 263 2HB GLN 33 HB1 GLN 33 -0.124 -9.638 1.233 264 1HG GLN 33 HG2 GLN 33 -1.722 -11.936 0.088 265 2HG GLN 33 HG1 GLN 33 -0.170 -12.170 0.894 266 1HE2 GLN 33 HE21 GLN 33 -3.473 -12.131 1.485 267 2HE2 GLN 33 HE22 GLN 33 -3.442 -11.793 3.148 268 H TYR 34 HN TYR 34 -1.357 -7.200 1.238 269 HA TYR 34 HA TYR 34 -2.837 -7.675 3.680 270 1HB TYR 34 HB2 TYR 34 -0.984 -6.219 3.815 271 2HB TYR 34 HB1 TYR 34 -1.409 -5.383 2.327 272 HD1 TYR 34 HD1 TYR 34 -2.216 -5.761 5.918 273 HD2 TYR 34 HD2 TYR 34 -2.937 -3.522 2.330 274 HE1 TYR 34 HE1 TYR 34 -3.365 -4.004 7.246 275 HE2 TYR 34 HE2 TYR 34 -4.087 -1.766 3.647 276 HH TYR 34 HH TYR 34 -5.210 -2.190 6.682 277 H ALA 35 HN ALA 35 -3.401 -5.443 0.929 278 HA ALA 35 HA ALA 35 -6.008 -4.577 1.729 279 1HB ALA 35 HB1 ALA 35 -5.059 -3.245 0.092 280 2HB ALA 35 HB2 ALA 35 -6.049 -4.276 -0.942 281 3HB ALA 35 HB3 ALA 35 -4.329 -4.620 -0.744 282 H ASN 36 HN ASN 36 -4.928 -7.307 -0.276 283 HA ASN 36 HA ASN 36 -7.434 -8.166 -1.268 284 1HB ASN 36 HB2 ASN 36 -4.765 -9.391 -0.689 285 2HB ASN 36 HB1 ASN 36 -6.098 -10.463 -1.116 286 1HD2 ASN 36 HD21 ASN 36 -3.768 -9.989 -2.818 287 2HD2 ASN 36 HD22 ASN 36 -4.329 -9.252 -4.241 288 H ASP 37 HN ASP 37 -5.865 -8.718 1.851 289 HA ASP 37 HA ASP 37 -7.674 -10.775 2.792 290 1HB ASP 37 HB2 ASP 37 -5.354 -10.241 3.626 291 2HB ASP 37 HB1 ASP 37 -6.011 -8.777 4.359 292 H ASN 38 HN ASN 38 -7.624 -7.231 3.030 293 HA ASN 38 HA ASN 38 -10.040 -7.181 4.732 294 1HB ASN 38 HB2 ASN 38 -8.345 -5.030 3.418 295 2HB ASN 38 HB1 ASN 38 -9.624 -4.727 4.595 296 1HD2 ASN 38 HD21 ASN 38 -6.335 -4.938 4.422 297 2HD2 ASN 38 HD22 ASN 38 -5.995 -5.502 5.986 298 H GLY 39 HN GLY 39 -9.144 -6.765 1.357 299 1HA GLY 39 HA2 GLY 39 -10.759 -7.061 -0.431 300 2HA GLY 39 HA1 GLY 39 -12.028 -6.520 0.669 301 H ILE 40 HN ILE 40 -8.878 -4.972 0.098 302 HA ILE 40 HA ILE 40 -10.310 -2.450 -0.551 303 HB ILE 40 HB ILE 40 -7.420 -3.129 0.097 304 1HG1 ILE 40 HG12 ILE 40 -9.581 -1.717 1.698 305 2HG1 ILE 40 HG11 ILE 40 -9.077 -3.388 1.943 306 1HG2 ILE 40 HG21 ILE 40 -8.780 -0.570 -0.696 307 2HG2 ILE 40 HG22 ILE 40 -7.161 -1.143 -1.110 308 3HG2 ILE 40 HG23 ILE 40 -7.488 -0.502 0.502 309 1HD1 ILE 40 HD11 ILE 40 -7.010 -1.209 2.003 310 2HD1 ILE 40 HD12 ILE 40 -6.999 -2.776 2.811 311 3HD1 ILE 40 HD13 ILE 40 -8.028 -1.478 3.418 312 H ASP 41 HN ASP 41 -10.821 -3.759 -2.702 313 HA ASP 41 HA ASP 41 -8.606 -3.740 -4.664 314 1HB ASP 41 HB2 ASP 41 -11.568 -4.407 -4.791 315 2HB ASP 41 HB1 ASP 41 -10.449 -4.619 -6.138 316 H GLY 42 HN GLY 42 -8.839 -1.204 -3.786 317 1HA GLY 42 HA2 GLY 42 -10.787 0.343 -5.323 318 2HA GLY 42 HA1 GLY 42 -9.526 0.989 -4.270 319 H GLU 43 HN GLU 43 -8.502 2.405 -5.589 320 HA GLU 43 HA GLU 43 -7.422 1.368 -8.144 321 1HB GLU 43 HB2 GLU 43 -7.514 3.732 -8.908 322 2HB GLU 43 HB1 GLU 43 -9.101 3.144 -8.424 323 1HG GLU 43 HG2 GLU 43 -9.257 4.873 -6.992 324 2HG GLU 43 HG1 GLU 43 -7.920 4.192 -6.072 325 H TRP 44 HN TRP 44 -5.369 0.766 -7.622 326 HA TRP 44 HA TRP 44 -3.815 2.047 -5.584 327 1HB TRP 44 HB2 TRP 44 -3.345 -0.037 -7.693 328 2HB TRP 44 HB1 TRP 44 -2.026 0.525 -6.658 329 HD1 TRP 44 HD1 TRP 44 -5.640 -0.794 -6.268 330 HE1 TRP 44 HE1 TRP 44 -5.758 -2.146 -4.071 331 HE3 TRP 44 HE3 TRP 44 -0.875 -0.125 -4.558 332 HZ2 TRP 44 HZ2 TRP 44 -4.060 -2.825 -1.876 333 HZ3 TRP 44 HZ3 TRP 44 -0.151 -1.136 -2.416 334 HH2 TRP 44 HH2 TRP 44 -1.736 -2.490 -1.074 335 H THR 45 HN THR 45 -2.131 3.426 -5.731 336 HA THR 45 HA THR 45 -1.067 4.327 -8.326 337 HB THR 45 HB THR 45 -1.601 6.736 -7.562 338 HG1 THR 45 HG1 THR 45 -2.767 6.934 -5.841 339 1HG2 THR 45 HG21 THR 45 -3.567 6.735 -8.825 340 2HG2 THR 45 HG22 THR 45 -4.102 5.187 -8.171 341 3HG2 THR 45 HG23 THR 45 -2.794 5.241 -9.352 342 H TYR 46 HN TYR 46 1.080 4.732 -8.007 343 HA TYR 46 HA TYR 46 2.076 4.796 -5.200 344 1HB TYR 46 HB2 TYR 46 2.945 3.020 -6.543 345 2HB TYR 46 HB1 TYR 46 3.193 4.079 -7.925 346 HD1 TYR 46 HD1 TYR 46 5.114 5.577 -8.043 347 HD2 TYR 46 HD2 TYR 46 4.529 2.993 -4.662 348 HE1 TYR 46 HE1 TYR 46 7.458 5.961 -7.341 349 HE2 TYR 46 HE2 TYR 46 6.867 3.375 -3.962 350 HH TYR 46 HH TYR 46 9.193 4.439 -5.837 351 H ASP 47 HN ASP 47 2.934 6.669 -4.397 352 HA ASP 47 HA ASP 47 3.315 8.988 -6.235 353 1HB ASP 47 HB2 ASP 47 2.653 8.524 -3.356 354 2HB ASP 47 HB1 ASP 47 3.492 10.021 -3.766 355 H ASP 48 HN ASP 48 5.398 9.311 -6.882 356 HA ASP 48 HA ASP 48 7.683 8.072 -5.590 357 1HB ASP 48 HB2 ASP 48 7.410 8.596 -8.027 358 2HB ASP 48 HB1 ASP 48 7.542 10.310 -7.632 359 H ALA 49 HN ALA 49 5.956 10.994 -4.957 360 HA ALA 49 HA ALA 49 7.962 12.787 -4.135 361 1HB ALA 49 HB1 ALA 49 6.139 13.734 -2.738 362 2HB ALA 49 HB2 ALA 49 5.209 12.255 -2.978 363 3HB ALA 49 HB3 ALA 49 5.565 13.305 -4.350 364 H THR 50 HN THR 50 6.364 10.189 -2.280 365 HA THR 50 HA THR 50 8.687 10.132 -0.420 366 HB THR 50 HB THR 50 7.126 10.262 1.508 367 HG1 THR 50 HG1 THR 50 5.197 10.847 -0.485 368 1HG2 THR 50 HG21 THR 50 6.661 12.585 -0.375 369 2HG2 THR 50 HG22 THR 50 8.185 12.321 0.472 370 3HG2 THR 50 HG23 THR 50 6.709 12.624 1.388 371 H LYS 51 HN LYS 51 7.321 8.339 -2.526 372 HA LYS 51 HA LYS 51 6.775 6.054 -2.780 373 1HB LYS 51 HB2 LYS 51 8.917 6.436 -0.889 374 2HB LYS 51 HB1 LYS 51 7.968 5.037 -0.392 375 1HG LYS 51 HG2 LYS 51 9.266 3.931 -1.904 376 2HG LYS 51 HG1 LYS 51 8.127 4.597 -3.075 377 1HD LYS 51 HD2 LYS 51 10.377 5.099 -3.835 378 2HD LYS 51 HD1 LYS 51 9.626 6.602 -3.295 379 1HE LYS 51 HE2 LYS 51 10.995 6.778 -1.437 380 2HE LYS 51 HE1 LYS 51 11.167 5.019 -1.271 381 1HZ LYS 51 HZ1 LYS 51 12.394 6.753 -3.347 382 2HZ LYS 51 HZ2 LYS 51 12.404 5.055 -3.412 383 3HZ LYS 51 HZ3 LYS 51 13.203 5.865 -2.150 384 H THR 52 HN THR 52 4.482 6.148 -2.423 385 HA THR 52 HA THR 52 3.607 4.888 0.101 386 HB THR 52 HB THR 52 2.641 7.619 -0.802 387 HG1 THR 52 HG1 THR 52 4.158 6.867 1.469 388 1HG2 THR 52 HG21 THR 52 2.032 6.121 1.756 389 2HG2 THR 52 HG22 THR 52 0.962 6.122 0.354 390 3HG2 THR 52 HG23 THR 52 1.309 7.630 1.201 391 H PHE 53 HN PHE 53 2.562 3.185 -0.945 392 HA PHE 53 HA PHE 53 1.104 3.359 -3.415 393 1HB PHE 53 HB2 PHE 53 0.992 1.475 -1.035 394 2HB PHE 53 HB1 PHE 53 0.143 1.169 -2.550 395 HD1 PHE 53 HD1 PHE 53 1.385 0.729 -4.629 396 HD2 PHE 53 HD2 PHE 53 3.413 1.317 -0.889 397 HE1 PHE 53 HE1 PHE 53 3.460 -0.213 -5.606 398 HE2 PHE 53 HE2 PHE 53 5.487 0.374 -1.863 399 HZ PHE 53 HZ PHE 53 5.511 -0.391 -4.224 400 H THR 54 HN THR 54 -0.986 4.112 -3.786 401 HA THR 54 HA THR 54 -2.634 4.746 -1.347 402 HB THR 54 HB THR 54 -2.387 6.231 -3.977 403 HG1 THR 54 HG1 THR 54 -1.320 7.755 -2.571 404 1HG2 THR 54 HG21 THR 54 -3.473 7.577 -1.589 405 2HG2 THR 54 HG22 THR 54 -4.499 6.295 -2.233 406 3HG2 THR 54 HG23 THR 54 -4.018 7.642 -3.264 407 H VAL 55 HN VAL 55 -4.168 3.032 -1.415 408 HA VAL 55 HA VAL 55 -5.652 2.631 -3.940 409 HB VAL 55 HB VAL 55 -4.676 0.626 -2.781 410 1HG1 VAL 55 HG11 VAL 55 -6.768 1.132 -0.677 411 2HG1 VAL 55 HG12 VAL 55 -5.075 1.580 -0.451 412 3HG1 VAL 55 HG13 VAL 55 -5.516 -0.118 -0.673 413 1HG2 VAL 55 HG21 VAL 55 -7.693 0.632 -2.712 414 2HG2 VAL 55 HG22 VAL 55 -6.635 -0.748 -2.994 415 3HG2 VAL 55 HG23 VAL 55 -6.754 0.532 -4.201 416 H THR 56 HN THR 56 -8.073 2.355 -3.618 417 HA THR 56 HA THR 56 -9.291 3.657 -1.289 418 HB THR 56 HB THR 56 -9.265 4.880 -4.061 419 HG1 THR 56 HG1 THR 56 -7.559 5.787 -3.276 420 1HG2 THR 56 HG21 THR 56 -10.331 6.496 -1.864 421 2HG2 THR 56 HG22 THR 56 -11.292 5.048 -2.166 422 3HG2 THR 56 HG23 THR 56 -11.005 6.202 -3.467 423 H GLU 57 HN GLU 57 -10.892 2.120 -1.011 424 HA GLU 57 HA GLU 57 -12.178 0.773 -3.278 425 1HB GLU 57 HB2 GLU 57 -11.573 -0.031 -0.842 426 2HB GLU 57 HB1 GLU 57 -13.123 0.700 -0.423 427 1HG GLU 57 HG2 GLU 57 -13.893 -0.684 -2.596 428 2HG GLU 57 HG1 GLU 57 -12.551 -1.706 -2.082 Start of MODEL 14 1 1H MET 1 HT1 MET 1 17.619 -2.434 4.537 2 2H MET 1 HT2 MET 1 16.432 -1.404 5.182 3 3H MET 1 HT3 MET 1 17.339 -0.919 3.829 4 HA MET 1 HA MET 1 16.348 -2.806 2.560 5 1HB MET 1 HB2 MET 1 14.919 -2.966 5.223 6 2HB MET 1 HB1 MET 1 14.265 -3.713 3.765 7 1HG MET 1 HG2 MET 1 16.616 -4.800 3.537 8 2HG MET 1 HG1 MET 1 16.811 -4.373 5.236 9 1HE MET 1 HE1 MET 1 13.964 -7.381 3.316 10 2HE MET 1 HE2 MET 1 15.302 -6.494 2.589 11 3HE MET 1 HE3 MET 1 13.799 -5.655 2.967 12 H THR 2 HN THR 2 14.268 -2.408 1.426 13 HA THR 2 HA THR 2 13.547 0.443 1.447 14 HB THR 2 HB THR 2 12.517 -1.916 -0.164 15 HG1 THR 2 HG1 THR 2 14.682 -1.717 -0.517 16 1HG2 THR 2 HG21 THR 2 11.797 -0.235 -1.766 17 2HG2 THR 2 HG22 THR 2 12.484 1.052 -0.773 18 3HG2 THR 2 HG23 THR 2 11.091 0.135 -0.191 19 H THR 3 HN THR 3 11.887 1.213 2.693 20 HA THR 3 HA THR 3 9.789 -0.676 3.592 21 HB THR 3 HB THR 3 10.666 1.919 4.865 22 HG1 THR 3 HG1 THR 3 12.150 0.813 5.938 23 1HG2 THR 3 HG21 THR 3 9.035 -0.457 5.778 24 2HG2 THR 3 HG22 THR 3 8.526 1.228 5.674 25 3HG2 THR 3 HG23 THR 3 9.694 0.734 6.900 26 H PHE 4 HN PHE 4 8.140 -0.348 2.080 27 HA PHE 4 HA PHE 4 7.448 2.344 1.117 28 1HB PHE 4 HB2 PHE 4 6.269 -0.431 0.802 29 2HB PHE 4 HB1 PHE 4 5.632 0.988 -0.024 30 HD1 PHE 4 HD1 PHE 4 7.027 2.185 -1.705 31 HD2 PHE 4 HD2 PHE 4 8.308 -1.477 0.135 32 HE1 PHE 4 HE1 PHE 4 8.730 1.886 -3.484 33 HE2 PHE 4 HE2 PHE 4 10.012 -1.776 -1.637 34 HZ PHE 4 HZ PHE 4 10.221 -0.094 -3.449 35 H LYS 5 HN LYS 5 4.828 2.652 1.181 36 HA LYS 5 HA LYS 5 3.705 1.944 3.836 37 1HB LYS 5 HB2 LYS 5 5.163 3.999 4.040 38 2HB LYS 5 HB1 LYS 5 4.070 4.812 2.919 39 1HG LYS 5 HG2 LYS 5 2.179 4.327 4.481 40 2HG LYS 5 HG1 LYS 5 3.341 3.653 5.624 41 1HD LYS 5 HD2 LYS 5 4.527 5.816 5.701 42 2HD LYS 5 HD1 LYS 5 3.363 6.494 4.562 43 1HE LYS 5 HE2 LYS 5 1.533 6.094 6.173 44 2HE LYS 5 HE1 LYS 5 2.697 5.406 7.323 45 1HZ LYS 5 HZ1 LYS 5 2.952 8.113 6.130 46 2HZ LYS 5 HZ2 LYS 5 3.902 7.446 7.370 47 3HZ LYS 5 HZ3 LYS 5 2.269 7.822 7.654 48 H LEU 6 HN LEU 6 1.688 1.207 3.237 49 HA LEU 6 HA LEU 6 0.315 2.391 0.886 50 1HB LEU 6 HB2 LEU 6 0.455 -0.048 1.124 51 2HB LEU 6 HB1 LEU 6 -0.289 0.040 2.719 52 HG LEU 6 HG LEU 6 -2.270 1.209 1.476 53 1HD1 LEU 6 HD11 LEU 6 -1.306 1.586 -0.671 54 2HD1 LEU 6 HD12 LEU 6 -2.462 0.272 -0.889 55 3HD1 LEU 6 HD13 LEU 6 -0.735 -0.079 -0.783 56 1HD2 LEU 6 HD21 LEU 6 -2.930 -1.245 0.616 57 2HD2 LEU 6 HD22 LEU 6 -2.881 -0.839 2.333 58 3HD2 LEU 6 HD23 LEU 6 -1.519 -1.674 1.583 59 H ILE 7 HN ILE 7 -1.552 3.620 1.057 60 HA ILE 7 HA ILE 7 -2.328 4.542 3.764 61 HB ILE 7 HB ILE 7 -1.884 5.932 1.552 62 1HG1 ILE 7 HG12 ILE 7 -3.726 7.556 2.324 63 2HG1 ILE 7 HG11 ILE 7 -4.107 6.340 3.544 64 1HG2 ILE 7 HG21 ILE 7 -3.747 6.315 0.131 65 2HG2 ILE 7 HG22 ILE 7 -4.846 5.451 1.203 66 3HG2 ILE 7 HG23 ILE 7 -3.637 4.562 0.278 67 1HD1 ILE 7 HD11 ILE 7 -2.324 8.268 4.019 68 2HD1 ILE 7 HD12 ILE 7 -1.244 7.129 3.214 69 3HD1 ILE 7 HD13 ILE 7 -2.113 6.643 4.670 70 H ILE 8 HN ILE 8 -4.779 4.582 4.215 71 HA ILE 8 HA ILE 8 -6.097 2.198 2.954 72 HB ILE 8 HB ILE 8 -6.087 3.129 5.839 73 1HG1 ILE 8 HG12 ILE 8 -3.955 2.105 5.096 74 2HG1 ILE 8 HG11 ILE 8 -4.789 1.080 6.259 75 1HG2 ILE 8 HG21 ILE 8 -8.213 1.998 4.962 76 2HG2 ILE 8 HG22 ILE 8 -7.446 1.254 6.363 77 3HG2 ILE 8 HG23 ILE 8 -7.231 0.547 4.763 78 1HD1 ILE 8 HD11 ILE 8 -5.708 -0.261 4.371 79 2HD1 ILE 8 HD12 ILE 8 -3.945 -0.281 4.411 80 3HD1 ILE 8 HD13 ILE 8 -4.788 0.735 3.244 81 H ASN 9 HN ASN 9 -7.072 3.956 1.546 82 HA ASN 9 HA ASN 9 -9.153 5.590 2.925 83 1HB ASN 9 HB2 ASN 9 -7.503 5.742 0.502 84 2HB ASN 9 HB1 ASN 9 -9.195 6.118 0.184 85 1HD2 ASN 9 HD21 ASN 9 -6.765 7.955 0.337 86 2HD2 ASN 9 HD22 ASN 9 -7.195 9.138 1.475 87 H GLY 10 HN GLY 10 -9.689 2.901 3.030 88 1HA GLY 10 HA2 GLY 10 -11.700 2.443 0.863 89 2HA GLY 10 HA1 GLY 10 -10.893 1.147 1.749 90 H LYS 11 HN LYS 11 -13.696 1.331 1.572 91 HA LYS 11 HA LYS 11 -14.806 2.550 3.981 92 1HB LYS 11 HB2 LYS 11 -15.980 2.145 1.784 93 2HB LYS 11 HB1 LYS 11 -15.938 0.418 2.142 94 1HG LYS 11 HG2 LYS 11 -16.977 1.430 4.474 95 2HG LYS 11 HG1 LYS 11 -17.655 2.535 3.279 96 1HD LYS 11 HD2 LYS 11 -19.198 0.696 3.513 97 2HD LYS 11 HD1 LYS 11 -18.391 0.512 1.955 98 1HE LYS 11 HE2 LYS 11 -16.901 -1.180 2.843 99 2HE LYS 11 HE1 LYS 11 -17.489 -0.894 4.493 100 1HZ LYS 11 HZ1 LYS 11 -19.049 -1.914 2.182 101 2HZ LYS 11 HZ2 LYS 11 -19.755 -1.415 3.645 102 3HZ LYS 11 HZ3 LYS 11 -18.692 -2.740 3.620 103 H THR 12 HN THR 12 -13.081 -0.372 3.350 104 HA THR 12 HA THR 12 -14.355 -1.885 5.548 105 HB THR 12 HB THR 12 -11.966 -2.508 3.781 106 HG1 THR 12 HG1 THR 12 -13.347 -3.089 2.301 107 1HG2 THR 12 HG21 THR 12 -12.646 -3.805 6.018 108 2HG2 THR 12 HG22 THR 12 -12.063 -4.661 4.590 109 3HG2 THR 12 HG23 THR 12 -13.794 -4.572 4.919 110 H LEU 13 HN LEU 13 -11.419 -0.034 4.874 111 HA LEU 13 HA LEU 13 -10.678 -0.283 7.763 112 1HB LEU 13 HB2 LEU 13 -9.053 -0.927 5.303 113 2HB LEU 13 HB1 LEU 13 -8.263 -0.486 6.817 114 HG LEU 13 HG LEU 13 -10.379 -2.630 6.755 115 1HD1 LEU 13 HD11 LEU 13 -8.351 -2.966 5.112 116 2HD1 LEU 13 HD12 LEU 13 -8.836 -4.285 6.179 117 3HD1 LEU 13 HD13 LEU 13 -7.450 -3.277 6.596 118 1HD2 LEU 13 HD21 LEU 13 -9.404 -1.494 8.878 119 2HD2 LEU 13 HD22 LEU 13 -7.939 -2.407 8.516 120 3HD2 LEU 13 HD23 LEU 13 -9.452 -3.256 8.836 121 H LYS 14 HN LYS 14 -8.994 1.406 8.340 122 HA LYS 14 HA LYS 14 -8.809 3.741 6.530 123 1HB LYS 14 HB2 LYS 14 -10.595 3.469 8.888 124 2HB LYS 14 HB1 LYS 14 -9.700 4.985 8.782 125 1HG LYS 14 HG2 LYS 14 -10.507 4.855 6.240 126 2HG LYS 14 HG1 LYS 14 -11.798 3.892 6.959 127 1HD LYS 14 HD2 LYS 14 -12.665 5.670 8.129 128 2HD LYS 14 HD1 LYS 14 -11.089 6.435 8.338 129 1HE LYS 14 HE2 LYS 14 -12.226 6.253 5.564 130 2HE LYS 14 HE1 LYS 14 -12.848 7.498 6.666 131 1HZ LYS 14 HZ1 LYS 14 -9.971 6.991 6.115 132 2HZ LYS 14 HZ2 LYS 14 -10.602 8.209 7.118 133 3HZ LYS 14 HZ3 LYS 14 -10.875 8.258 5.442 134 H GLY 15 HN GLY 15 -6.819 4.689 6.840 135 1HA GLY 15 HA2 GLY 15 -5.363 5.609 8.795 136 2HA GLY 15 HA1 GLY 15 -5.277 3.912 9.267 137 H GLU 16 HN GLU 16 -3.352 3.055 8.665 138 HA GLU 16 HA GLU 16 -2.462 3.157 5.883 139 1HB GLU 16 HB2 GLU 16 -0.363 4.384 6.400 140 2HB GLU 16 HB1 GLU 16 -1.786 5.376 6.710 141 1HG GLU 16 HG2 GLU 16 -1.542 4.295 9.147 142 2HG GLU 16 HG1 GLU 16 0.144 4.170 8.644 143 H THR 17 HN THR 17 -0.215 2.038 5.730 144 HA THR 17 HA THR 17 0.427 0.248 8.003 145 HB THR 17 HB THR 17 -0.365 -0.818 5.277 146 HG1 THR 17 HG1 THR 17 -1.850 -0.795 7.691 147 1HG2 THR 17 HG21 THR 17 0.221 -2.089 7.960 148 2HG2 THR 17 HG22 THR 17 1.096 -2.325 6.447 149 3HG2 THR 17 HG23 THR 17 -0.541 -2.954 6.625 150 H THR 18 HN THR 18 2.451 -0.970 7.573 151 HA THR 18 HA THR 18 4.083 0.092 5.300 152 HB THR 18 HB THR 18 5.939 0.255 7.091 153 HG1 THR 18 HG1 THR 18 4.656 -0.928 8.642 154 1HG2 THR 18 HG21 THR 18 4.666 2.180 6.049 155 2HG2 THR 18 HG22 THR 18 5.294 2.496 7.666 156 3HG2 THR 18 HG23 THR 18 3.585 2.124 7.441 157 H THR 19 HN THR 19 6.199 -1.231 5.156 158 HA THR 19 HA THR 19 6.165 -3.924 6.325 159 HB THR 19 HB THR 19 4.471 -4.085 4.547 160 HG1 THR 19 HG1 THR 19 6.895 -5.273 3.693 161 1HG2 THR 19 HG21 THR 19 4.937 -3.562 2.260 162 2HG2 THR 19 HG22 THR 19 6.655 -3.340 2.591 163 3HG2 THR 19 HG23 THR 19 5.482 -2.173 3.200 164 H GLU 20 HN GLU 20 8.085 -5.191 5.559 165 HA GLU 20 HA GLU 20 10.353 -3.365 4.892 166 1HB GLU 20 HB2 GLU 20 9.931 -5.919 6.391 167 2HB GLU 20 HB1 GLU 20 11.517 -5.647 5.668 168 1HG GLU 20 HG2 GLU 20 11.668 -3.467 6.822 169 2HG GLU 20 HG1 GLU 20 10.091 -3.753 7.558 170 H ALA 21 HN ALA 21 10.147 -3.326 2.581 171 HA ALA 21 HA ALA 21 10.517 -5.972 1.212 172 1HB ALA 21 HB1 ALA 21 8.511 -5.165 0.385 173 2HB ALA 21 HB2 ALA 21 9.612 -4.360 -0.733 174 3HB ALA 21 HB3 ALA 21 8.963 -3.481 0.652 175 H VAL 22 HN VAL 22 11.445 -5.241 -1.193 176 HA VAL 22 HA VAL 22 13.987 -3.768 -0.600 177 HB VAL 22 HB VAL 22 14.190 -6.172 -1.112 178 1HG1 VAL 22 HG11 VAL 22 12.658 -5.388 -3.600 179 2HG1 VAL 22 HG12 VAL 22 12.232 -6.614 -2.407 180 3HG1 VAL 22 HG13 VAL 22 13.595 -6.878 -3.494 181 1HG2 VAL 22 HG21 VAL 22 16.004 -5.918 -2.509 182 2HG2 VAL 22 HG22 VAL 22 15.712 -4.217 -2.144 183 3HG2 VAL 22 HG23 VAL 22 15.115 -4.910 -3.652 184 H ASP 23 HN ASP 23 11.196 -3.967 -2.715 185 HA ASP 23 HA ASP 23 11.731 -1.321 -3.824 186 1HB ASP 23 HB2 ASP 23 13.168 -3.221 -4.997 187 2HB ASP 23 HB1 ASP 23 11.655 -3.528 -5.851 188 H ALA 24 HN ALA 24 10.017 -0.977 -5.716 189 HA ALA 24 HA ALA 24 7.414 -1.299 -4.685 190 1HB ALA 24 HB1 ALA 24 6.799 -0.170 -6.614 191 2HB ALA 24 HB2 ALA 24 7.868 -1.132 -7.635 192 3HB ALA 24 HB3 ALA 24 8.533 0.151 -6.624 193 H ALA 25 HN ALA 25 9.343 -3.480 -6.637 194 HA ALA 25 HA ALA 25 7.310 -5.131 -7.758 195 1HB ALA 25 HB1 ALA 25 9.347 -6.851 -7.363 196 2HB ALA 25 HB2 ALA 25 10.195 -5.341 -7.029 197 3HB ALA 25 HB3 ALA 25 9.413 -5.586 -8.591 198 H THR 26 HN THR 26 9.021 -5.400 -4.626 199 HA THR 26 HA THR 26 7.344 -7.684 -3.799 200 HB THR 26 HB THR 26 9.339 -6.088 -2.177 201 HG1 THR 26 HG1 THR 26 9.819 -8.204 -4.003 202 1HG2 THR 26 HG21 THR 26 8.164 -7.718 -0.872 203 2HG2 THR 26 HG22 THR 26 9.744 -8.413 -1.234 204 3HG2 THR 26 HG23 THR 26 8.322 -8.936 -2.137 205 H ALA 27 HN ALA 27 7.549 -4.215 -3.262 206 HA ALA 27 HA ALA 27 5.970 -4.026 -0.873 207 1HB ALA 27 HB1 ALA 27 7.437 -2.340 -2.346 208 2HB ALA 27 HB2 ALA 27 6.164 -1.755 -1.275 209 3HB ALA 27 HB3 ALA 27 5.853 -1.932 -3.001 210 H GLU 28 HN GLU 28 4.944 -3.224 -4.213 211 HA GLU 28 HA GLU 28 2.148 -3.119 -3.696 212 1HB GLU 28 HB2 GLU 28 3.854 -2.682 -5.800 213 2HB GLU 28 HB1 GLU 28 3.021 -4.143 -6.334 214 1HG GLU 28 HG2 GLU 28 0.850 -3.065 -5.998 215 2HG GLU 28 HG1 GLU 28 1.641 -1.620 -5.370 216 H LYS 29 HN LYS 29 4.175 -5.869 -4.765 217 HA LYS 29 HA LYS 29 2.144 -7.802 -5.178 218 1HB LYS 29 HB2 LYS 29 4.619 -7.955 -5.656 219 2HB LYS 29 HB1 LYS 29 4.879 -8.223 -3.932 220 1HG LYS 29 HG2 LYS 29 3.153 -10.141 -4.182 221 2HG LYS 29 HG1 LYS 29 3.457 -9.994 -5.914 222 1HD LYS 29 HD2 LYS 29 5.609 -10.788 -5.746 223 2HD LYS 29 HD1 LYS 29 5.841 -10.119 -4.130 224 1HE LYS 29 HE2 LYS 29 4.170 -11.887 -3.309 225 2HE LYS 29 HE1 LYS 29 4.372 -12.654 -4.897 226 1HZ LYS 29 HZ1 LYS 29 6.798 -12.554 -4.538 227 2HZ LYS 29 HZ2 LYS 29 6.009 -13.545 -3.405 228 3HZ LYS 29 HZ3 LYS 29 6.527 -11.988 -2.962 229 H VAL 30 HN VAL 30 3.754 -6.801 -2.174 230 HA VAL 30 HA VAL 30 2.292 -8.737 -0.517 231 HB VAL 30 HB VAL 30 4.098 -6.361 0.057 232 1HG1 VAL 30 HG11 VAL 30 2.847 -6.661 2.051 233 2HG1 VAL 30 HG12 VAL 30 4.331 -7.576 2.318 234 3HG1 VAL 30 HG13 VAL 30 2.844 -8.418 1.882 235 1HG2 VAL 30 HG21 VAL 30 4.921 -8.525 -1.158 236 2HG2 VAL 30 HG22 VAL 30 4.768 -9.272 0.433 237 3HG2 VAL 30 HG23 VAL 30 5.859 -7.905 0.201 238 H PHE 31 HN PHE 31 2.315 -5.175 -0.899 239 HA PHE 31 HA PHE 31 0.169 -4.638 0.912 240 1HB PHE 31 HB2 PHE 31 1.583 -3.256 -1.330 241 2HB PHE 31 HB1 PHE 31 0.064 -2.554 -0.771 242 HD1 PHE 31 HD1 PHE 31 -0.029 -2.919 2.053 243 HD2 PHE 31 HD2 PHE 31 3.404 -2.132 -0.405 244 HE1 PHE 31 HE1 PHE 31 1.139 -1.930 4.003 245 HE2 PHE 31 HE2 PHE 31 4.572 -1.145 1.547 246 HZ PHE 31 HZ PHE 31 3.441 -1.044 3.750 247 H LYS 32 HN LYS 32 0.188 -5.504 -2.531 248 HA LYS 32 HA LYS 32 -2.572 -4.899 -3.068 249 1HB LYS 32 HB2 LYS 32 -0.491 -6.747 -4.248 250 2HB LYS 32 HB1 LYS 32 -2.129 -6.697 -4.893 251 1HG LYS 32 HG2 LYS 32 -1.944 -4.352 -5.410 252 2HG LYS 32 HG1 LYS 32 -0.406 -4.230 -4.554 253 1HD LYS 32 HD2 LYS 32 0.778 -5.211 -6.258 254 2HD LYS 32 HD1 LYS 32 -0.562 -6.259 -6.724 255 1HE LYS 32 HE2 LYS 32 -0.761 -3.280 -7.162 256 2HE LYS 32 HE1 LYS 32 0.076 -4.310 -8.341 257 1HZ LYS 32 HZ1 LYS 32 -1.854 -5.723 -8.470 258 2HZ LYS 32 HZ2 LYS 32 -2.319 -4.124 -8.805 259 3HZ LYS 32 HZ3 LYS 32 -2.658 -4.811 -7.288 260 H GLN 33 HN GLN 33 -0.908 -7.899 -2.057 261 HA GLN 33 HA GLN 33 -3.216 -9.580 -1.916 262 1HB GLN 33 HB2 GLN 33 -0.840 -10.319 -1.885 263 2HB GLN 33 HB1 GLN 33 -0.660 -9.608 -0.281 264 1HG GLN 33 HG2 GLN 33 -1.094 -11.906 0.128 265 2HG GLN 33 HG1 GLN 33 -2.638 -11.102 0.414 266 1HE2 GLN 33 HE21 GLN 33 -4.406 -11.804 -0.829 267 2HE2 GLN 33 HE22 GLN 33 -4.284 -12.847 -2.163 268 H TYR 34 HN TYR 34 -1.841 -7.256 0.284 269 HA TYR 34 HA TYR 34 -3.387 -7.938 2.631 270 1HB TYR 34 HB2 TYR 34 -1.404 -6.674 2.940 271 2HB TYR 34 HB1 TYR 34 -1.788 -5.575 1.621 272 HD1 TYR 34 HD1 TYR 34 -3.189 -3.648 1.965 273 HD2 TYR 34 HD2 TYR 34 -2.568 -6.488 5.122 274 HE1 TYR 34 HE1 TYR 34 -4.199 -2.063 3.578 275 HE2 TYR 34 HE2 TYR 34 -3.580 -4.905 6.746 276 HH TYR 34 HH TYR 34 -4.186 -1.621 5.973 277 H ALA 35 HN ALA 35 -3.734 -5.323 0.201 278 HA ALA 35 HA ALA 35 -6.282 -4.372 1.119 279 1HB ALA 35 HB1 ALA 35 -5.255 -2.868 -0.294 280 2HB ALA 35 HB2 ALA 35 -6.219 -3.709 -1.509 281 3HB ALA 35 HB3 ALA 35 -4.525 -4.142 -1.275 282 H ASN 36 HN ASN 36 -5.414 -6.630 -1.517 283 HA ASN 36 HA ASN 36 -8.011 -7.209 -2.460 284 1HB ASN 36 HB2 ASN 36 -5.613 -7.837 -3.286 285 2HB ASN 36 HB1 ASN 36 -5.817 -9.263 -2.267 286 1HD2 ASN 36 HD21 ASN 36 -7.687 -7.440 -4.771 287 2HD2 ASN 36 HD22 ASN 36 -8.324 -8.829 -5.509 288 H ASP 37 HN ASP 37 -6.303 -8.367 0.382 289 HA ASP 37 HA ASP 37 -8.107 -10.599 0.931 290 1HB ASP 37 HB2 ASP 37 -5.783 -9.206 2.172 291 2HB ASP 37 HB1 ASP 37 -6.826 -10.121 3.260 292 H ASN 38 HN ASN 38 -7.640 -7.331 2.321 293 HA ASN 38 HA ASN 38 -9.927 -7.560 4.118 294 1HB ASN 38 HB2 ASN 38 -8.193 -5.265 3.152 295 2HB ASN 38 HB1 ASN 38 -9.410 -5.103 4.418 296 1HD2 ASN 38 HD21 ASN 38 -6.152 -6.036 3.793 297 2HD2 ASN 38 HD22 ASN 38 -5.811 -6.690 5.322 298 H GLY 39 HN GLY 39 -9.304 -5.908 1.013 299 1HA GLY 39 HA2 GLY 39 -11.281 -6.044 -0.588 300 2HA GLY 39 HA1 GLY 39 -12.251 -5.460 0.764 301 H ILE 40 HN ILE 40 -9.076 -4.443 -0.559 302 HA ILE 40 HA ILE 40 -10.212 -1.676 -0.800 303 HB ILE 40 HB ILE 40 -7.444 -2.613 0.028 304 1HG1 ILE 40 HG12 ILE 40 -9.620 -1.154 1.561 305 2HG1 ILE 40 HG11 ILE 40 -9.258 -2.871 1.722 306 1HG2 ILE 40 HG21 ILE 40 -7.105 -0.554 -1.147 307 2HG2 ILE 40 HG22 ILE 40 -7.198 -0.100 0.556 308 3HG2 ILE 40 HG23 ILE 40 -8.594 0.139 -0.493 309 1HD1 ILE 40 HD11 ILE 40 -7.208 -2.478 2.770 310 2HD1 ILE 40 HD12 ILE 40 -8.192 -1.157 3.404 311 3HD1 ILE 40 HD13 ILE 40 -7.057 -0.858 2.088 312 H ASP 41 HN ASP 41 -10.688 -2.569 -3.061 313 HA ASP 41 HA ASP 41 -8.289 -2.677 -4.832 314 1HB ASP 41 HB2 ASP 41 -11.099 -3.639 -4.835 315 2HB ASP 41 HB1 ASP 41 -10.478 -3.124 -6.404 316 H GLY 42 HN GLY 42 -8.991 -0.181 -3.610 317 1HA GLY 42 HA2 GLY 42 -10.631 1.487 -5.247 318 2HA GLY 42 HA1 GLY 42 -9.384 2.053 -4.135 319 H GLU 43 HN GLU 43 -8.311 3.517 -5.376 320 HA GLU 43 HA GLU 43 -7.275 2.638 -8.006 321 1HB GLU 43 HB2 GLU 43 -7.858 5.361 -6.813 322 2HB GLU 43 HB1 GLU 43 -7.086 5.133 -8.383 323 1HG GLU 43 HG2 GLU 43 -9.104 3.686 -9.002 324 2HG GLU 43 HG1 GLU 43 -9.878 4.327 -7.553 325 H TRP 44 HN TRP 44 -5.209 1.920 -7.729 326 HA TRP 44 HA TRP 44 -3.587 2.798 -5.510 327 1HB TRP 44 HB2 TRP 44 -3.313 0.900 -7.814 328 2HB TRP 44 HB1 TRP 44 -1.929 1.256 -6.772 329 HD1 TRP 44 HD1 TRP 44 -5.629 0.196 -6.398 330 HE1 TRP 44 HE1 TRP 44 -5.814 -1.329 -4.324 331 HE3 TRP 44 HE3 TRP 44 -0.793 0.331 -4.767 332 HZ2 TRP 44 HZ2 TRP 44 -4.137 -2.326 -2.241 333 HZ3 TRP 44 HZ3 TRP 44 -0.113 -0.918 -2.738 334 HH2 TRP 44 HH2 TRP 44 -1.779 -2.252 -1.474 335 H THR 45 HN THR 45 -1.810 4.048 -5.517 336 HA THR 45 HA THR 45 -0.662 5.137 -8.003 337 HB THR 45 HB THR 45 -1.017 7.484 -6.918 338 HG1 THR 45 HG1 THR 45 -2.448 7.599 -5.360 339 1HG2 THR 45 HG21 THR 45 -2.791 7.814 -8.351 340 2HG2 THR 45 HG22 THR 45 -3.621 6.348 -7.831 341 3HG2 THR 45 HG23 THR 45 -2.248 6.241 -8.933 342 H TYR 46 HN TYR 46 1.512 5.391 -7.641 343 HA TYR 46 HA TYR 46 2.484 5.060 -4.841 344 1HB TYR 46 HB2 TYR 46 3.245 3.392 -6.378 345 2HB TYR 46 HB1 TYR 46 3.578 4.583 -7.629 346 HD1 TYR 46 HD1 TYR 46 4.808 3.038 -4.512 347 HD2 TYR 46 HD2 TYR 46 5.597 5.952 -7.567 348 HE1 TYR 46 HE1 TYR 46 7.157 3.169 -3.773 349 HE2 TYR 46 HE2 TYR 46 7.956 6.092 -6.820 350 HH TYR 46 HH TYR 46 9.554 4.180 -5.435 351 H ASP 47 HN ASP 47 3.800 6.630 -3.898 352 HA ASP 47 HA ASP 47 4.231 9.158 -5.453 353 1HB ASP 47 HB2 ASP 47 3.430 8.445 -2.675 354 2HB ASP 47 HB1 ASP 47 4.466 9.862 -2.849 355 H ASP 48 HN ASP 48 6.339 9.357 -6.066 356 HA ASP 48 HA ASP 48 8.507 7.835 -4.907 357 1HB ASP 48 HB2 ASP 48 9.845 9.203 -6.485 358 2HB ASP 48 HB1 ASP 48 8.386 8.576 -7.251 359 H ALA 49 HN ALA 49 7.022 10.823 -3.977 360 HA ALA 49 HA ALA 49 9.154 12.320 -2.923 361 1HB ALA 49 HB1 ALA 49 6.782 13.026 -3.122 362 2HB ALA 49 HB2 ALA 49 7.404 13.305 -1.496 363 3HB ALA 49 HB3 ALA 49 6.359 11.921 -1.815 364 H THR 50 HN THR 50 7.287 9.694 -1.382 365 HA THR 50 HA THR 50 9.557 9.232 0.489 366 HB THR 50 HB THR 50 7.967 9.300 2.399 367 HG1 THR 50 HG1 THR 50 5.889 9.741 2.077 368 1HG2 THR 50 HG21 THR 50 9.239 11.346 1.598 369 2HG2 THR 50 HG22 THR 50 7.781 11.689 2.529 370 3HG2 THR 50 HG23 THR 50 7.762 11.842 0.771 371 H LYS 51 HN LYS 51 8.039 7.802 -1.808 372 HA LYS 51 HA LYS 51 7.309 5.612 -2.303 373 1HB LYS 51 HB2 LYS 51 9.454 5.599 -0.374 374 2HB LYS 51 HB1 LYS 51 8.383 4.239 -0.044 375 1HG LYS 51 HG2 LYS 51 9.609 3.207 -1.665 376 2HG LYS 51 HG1 LYS 51 8.540 4.090 -2.756 377 1HD LYS 51 HD2 LYS 51 10.831 4.487 -3.453 378 2HD LYS 51 HD1 LYS 51 10.201 5.978 -2.750 379 1HE LYS 51 HE2 LYS 51 11.244 4.706 -0.531 380 2HE LYS 51 HE1 LYS 51 12.397 4.258 -1.804 381 1HZ LYS 51 HZ1 LYS 51 11.386 7.018 -1.383 382 2HZ LYS 51 HZ2 LYS 51 12.622 6.529 -2.441 383 3HZ LYS 51 HZ3 LYS 51 12.859 6.454 -0.761 384 H THR 52 HN THR 52 5.029 6.012 -1.892 385 HA THR 52 HA THR 52 4.016 4.524 0.462 386 HB THR 52 HB THR 52 3.337 7.420 -0.149 387 HG1 THR 52 HG1 THR 52 4.963 7.796 1.092 388 1HG2 THR 52 HG21 THR 52 1.588 5.737 0.911 389 2HG2 THR 52 HG22 THR 52 1.781 7.360 1.572 390 3HG2 THR 52 HG23 THR 52 2.555 5.988 2.363 391 H PHE 53 HN PHE 53 2.804 3.042 -0.731 392 HA PHE 53 HA PHE 53 1.418 3.590 -3.190 393 1HB PHE 53 HB2 PHE 53 1.095 1.517 -0.996 394 2HB PHE 53 HB1 PHE 53 0.209 1.445 -2.519 395 HD1 PHE 53 HD1 PHE 53 1.343 0.964 -4.623 396 HD2 PHE 53 HD2 PHE 53 3.524 1.192 -0.930 397 HE1 PHE 53 HE1 PHE 53 3.299 -0.101 -5.712 398 HE2 PHE 53 HE2 PHE 53 5.479 0.126 -2.016 399 HZ PHE 53 HZ PHE 53 5.367 -0.520 -4.410 400 H THR 54 HN THR 54 -0.656 4.457 -3.520 401 HA THR 54 HA THR 54 -2.222 5.093 -1.029 402 HB THR 54 HB THR 54 -1.846 6.745 -3.539 403 HG1 THR 54 HG1 THR 54 -0.561 8.013 -2.139 404 1HG2 THR 54 HG21 THR 54 -3.317 8.254 -2.686 405 2HG2 THR 54 HG22 THR 54 -2.784 7.980 -1.027 406 3HG2 THR 54 HG23 THR 54 -3.932 6.872 -1.779 407 H VAL 55 HN VAL 55 -3.795 3.379 -1.296 408 HA VAL 55 HA VAL 55 -5.375 3.383 -3.788 409 HB VAL 55 HB VAL 55 -4.558 1.210 -2.827 410 1HG1 VAL 55 HG11 VAL 55 -5.389 0.355 -0.778 411 2HG1 VAL 55 HG12 VAL 55 -6.577 1.664 -0.652 412 3HG1 VAL 55 HG13 VAL 55 -4.863 2.004 -0.417 413 1HG2 VAL 55 HG21 VAL 55 -6.614 0.021 -3.133 414 2HG2 VAL 55 HG22 VAL 55 -6.660 1.419 -4.206 415 3HG2 VAL 55 HG23 VAL 55 -7.561 1.439 -2.690 416 H THR 56 HN THR 56 -7.823 3.261 -3.430 417 HA THR 56 HA THR 56 -8.886 4.476 -0.975 418 HB THR 56 HB THR 56 -8.798 5.895 -3.653 419 HG1 THR 56 HG1 THR 56 -7.185 6.940 -2.830 420 1HG2 THR 56 HG21 THR 56 -10.764 6.096 -1.669 421 2HG2 THR 56 HG22 THR 56 -10.449 7.267 -2.949 422 3HG2 THR 56 HG23 THR 56 -9.695 7.466 -1.368 423 H GLU 57 HN GLU 57 -10.636 3.098 -0.758 424 HA GLU 57 HA GLU 57 -12.213 2.365 -3.189 425 1HB GLU 57 HB2 GLU 57 -11.337 1.060 -0.746 426 2HB GLU 57 HB1 GLU 57 -13.092 0.960 -0.888 427 1HG GLU 57 HG2 GLU 57 -11.345 0.337 -3.259 428 2HG GLU 57 HG1 GLU 57 -11.639 -0.887 -2.023 Start of MODEL 15 1 1H MET 1 HT1 MET 1 17.687 -2.300 3.372 2 2H MET 1 HT2 MET 1 17.270 -0.766 3.975 3 3H MET 1 HT3 MET 1 17.155 -1.088 2.311 4 HA MET 1 HA MET 1 15.443 -2.829 2.862 5 1HB MET 1 HB2 MET 1 15.799 -1.402 5.518 6 2HB MET 1 HB1 MET 1 14.497 -2.539 5.167 7 1HG MET 1 HG2 MET 1 16.260 -4.255 4.599 8 2HG MET 1 HG1 MET 1 17.470 -3.120 5.200 9 1HE MET 1 HE1 MET 1 17.183 -5.956 7.821 10 2HE MET 1 HE2 MET 1 17.740 -5.562 6.197 11 3HE MET 1 HE3 MET 1 16.164 -6.316 6.421 12 H THR 2 HN THR 2 13.930 -1.888 1.553 13 HA THR 2 HA THR 2 13.314 0.992 1.749 14 HB THR 2 HB THR 2 12.072 -1.135 -0.014 15 HG1 THR 2 HG1 THR 2 13.778 -0.817 -1.394 16 1HG2 THR 2 HG21 THR 2 12.450 1.857 -0.183 17 2HG2 THR 2 HG22 THR 2 10.939 0.948 -0.221 18 3HG2 THR 2 HG23 THR 2 12.046 0.878 -1.594 19 H THR 3 HN THR 3 11.834 1.590 3.291 20 HA THR 3 HA THR 3 9.738 -0.282 4.140 21 HB THR 3 HB THR 3 11.121 0.863 5.809 22 HG1 THR 3 HG1 THR 3 8.480 1.888 5.721 23 1HG2 THR 3 HG21 THR 3 11.780 2.983 5.461 24 2HG2 THR 3 HG22 THR 3 10.114 3.518 5.680 25 3HG2 THR 3 HG23 THR 3 10.705 3.113 4.069 26 H PHE 4 HN PHE 4 8.531 -0.053 2.042 27 HA PHE 4 HA PHE 4 7.454 2.428 1.099 28 1HB PHE 4 HB2 PHE 4 6.442 -0.431 0.952 29 2HB PHE 4 HB1 PHE 4 5.813 0.892 -0.027 30 HD1 PHE 4 HD1 PHE 4 7.261 2.001 -1.717 31 HD2 PHE 4 HD2 PHE 4 8.575 -1.440 0.493 32 HE1 PHE 4 HE1 PHE 4 9.090 1.646 -3.355 33 HE2 PHE 4 HE2 PHE 4 10.403 -1.793 -1.144 34 HZ PHE 4 HZ PHE 4 10.659 -0.250 -3.069 35 H LYS 5 HN LYS 5 4.858 2.619 1.105 36 HA LYS 5 HA LYS 5 3.664 1.934 3.730 37 1HB LYS 5 HB2 LYS 5 5.008 3.996 4.069 38 2HB LYS 5 HB1 LYS 5 4.108 4.782 2.772 39 1HG LYS 5 HG2 LYS 5 2.090 4.774 4.010 40 2HG LYS 5 HG1 LYS 5 2.700 3.577 5.154 41 1HD LYS 5 HD2 LYS 5 4.545 5.477 5.559 42 2HD LYS 5 HD1 LYS 5 3.221 6.512 5.023 43 1HE LYS 5 HE2 LYS 5 1.833 5.884 6.823 44 2HE LYS 5 HE1 LYS 5 2.760 4.404 7.138 45 1HZ LYS 5 HZ1 LYS 5 3.372 6.099 8.731 46 2HZ LYS 5 HZ2 LYS 5 3.733 7.192 7.482 47 3HZ LYS 5 HZ3 LYS 5 4.680 5.798 7.695 48 H LEU 6 HN LEU 6 1.549 1.407 3.327 49 HA LEU 6 HA LEU 6 0.284 2.401 0.810 50 1HB LEU 6 HB2 LEU 6 0.453 -0.026 1.114 51 2HB LEU 6 HB1 LEU 6 -0.338 0.093 2.685 52 HG LEU 6 HG LEU 6 -2.345 1.086 1.498 53 1HD1 LEU 6 HD11 LEU 6 -2.415 0.477 -0.996 54 2HD1 LEU 6 HD12 LEU 6 -0.661 0.316 -0.889 55 3HD1 LEU 6 HD13 LEU 6 -1.427 1.868 -0.551 56 1HD2 LEU 6 HD21 LEU 6 -2.695 -1.293 0.220 57 2HD2 LEU 6 HD22 LEU 6 -2.857 -1.090 1.965 58 3HD2 LEU 6 HD23 LEU 6 -1.346 -1.698 1.284 59 H ILE 7 HN ILE 7 -1.499 3.727 0.921 60 HA ILE 7 HA ILE 7 -2.378 4.689 3.570 61 HB ILE 7 HB ILE 7 -1.835 5.969 1.310 62 1HG1 ILE 7 HG12 ILE 7 -3.730 7.644 1.991 63 2HG1 ILE 7 HG11 ILE 7 -3.968 6.528 3.334 64 1HG2 ILE 7 HG21 ILE 7 -3.882 4.523 0.294 65 2HG2 ILE 7 HG22 ILE 7 -3.436 6.117 -0.305 66 3HG2 ILE 7 HG23 ILE 7 -4.762 5.949 0.840 67 1HD1 ILE 7 HD11 ILE 7 -2.234 8.536 3.520 68 2HD1 ILE 7 HD12 ILE 7 -1.176 7.392 2.693 69 3HD1 ILE 7 HD13 ILE 7 -1.887 6.969 4.251 70 H ILE 8 HN ILE 8 -4.886 4.860 3.872 71 HA ILE 8 HA ILE 8 -6.207 2.437 2.695 72 HB ILE 8 HB ILE 8 -6.313 3.496 5.538 73 1HG1 ILE 8 HG12 ILE 8 -5.108 0.933 4.452 74 2HG1 ILE 8 HG11 ILE 8 -4.171 2.373 4.853 75 1HG2 ILE 8 HG21 ILE 8 -7.333 0.802 4.759 76 2HG2 ILE 8 HG22 ILE 8 -8.337 2.192 4.353 77 3HG2 ILE 8 HG23 ILE 8 -7.891 1.887 6.031 78 1HD1 ILE 8 HD11 ILE 8 -4.128 0.819 6.741 79 2HD1 ILE 8 HD12 ILE 8 -5.890 0.766 6.766 80 3HD1 ILE 8 HD13 ILE 8 -5.047 2.258 7.182 81 H ASN 9 HN ASN 9 -7.001 4.283 1.188 82 HA ASN 9 HA ASN 9 -9.135 5.951 2.423 83 1HB ASN 9 HB2 ASN 9 -7.347 6.052 0.113 84 2HB ASN 9 HB1 ASN 9 -9.014 6.388 -0.349 85 1HD2 ASN 9 HD21 ASN 9 -6.225 7.874 0.802 86 2HD2 ASN 9 HD22 ASN 9 -6.929 9.253 1.496 87 H GLY 10 HN GLY 10 -9.715 3.273 2.557 88 1HA GLY 10 HA2 GLY 10 -11.581 2.742 0.287 89 2HA GLY 10 HA1 GLY 10 -10.927 1.502 1.362 90 H LYS 11 HN LYS 11 -13.739 2.016 0.813 91 HA LYS 11 HA LYS 11 -14.936 3.420 3.050 92 1HB LYS 11 HB2 LYS 11 -17.002 2.442 2.148 93 2HB LYS 11 HB1 LYS 11 -15.996 3.042 0.832 94 1HG LYS 11 HG2 LYS 11 -15.054 0.550 0.878 95 2HG LYS 11 HG1 LYS 11 -16.626 0.219 1.603 96 1HD LYS 11 HD2 LYS 11 -16.227 1.706 -1.008 97 2HD LYS 11 HD1 LYS 11 -16.645 -0.003 -0.886 98 1HE LYS 11 HE2 LYS 11 -18.778 0.463 0.043 99 2HE LYS 11 HE1 LYS 11 -18.322 2.127 0.460 100 1HZ LYS 11 HZ1 LYS 11 -18.580 0.995 -2.275 101 2HZ LYS 11 HZ2 LYS 11 -17.984 2.548 -1.928 102 3HZ LYS 11 HZ3 LYS 11 -19.596 2.152 -1.565 103 H THR 12 HN THR 12 -13.320 0.419 2.909 104 HA THR 12 HA THR 12 -14.990 -0.833 5.023 105 HB THR 12 HB THR 12 -12.493 -1.868 3.655 106 HG1 THR 12 HG1 THR 12 -13.940 -1.346 2.050 107 1HG2 THR 12 HG21 THR 12 -13.234 -4.001 4.339 108 2HG2 THR 12 HG22 THR 12 -14.871 -3.426 4.658 109 3HG2 THR 12 HG23 THR 12 -13.552 -2.976 5.738 110 H LEU 13 HN LEU 13 -11.820 0.658 4.518 111 HA LEU 13 HA LEU 13 -11.419 0.663 7.476 112 1HB LEU 13 HB2 LEU 13 -10.283 -1.238 5.889 113 2HB LEU 13 HB1 LEU 13 -9.046 0.015 5.819 114 HG LEU 13 HG LEU 13 -9.270 0.128 8.386 115 1HD1 LEU 13 HD11 LEU 13 -11.412 -1.233 8.353 116 2HD1 LEU 13 HD12 LEU 13 -10.188 -1.803 9.488 117 3HD1 LEU 13 HD13 LEU 13 -10.425 -2.639 7.953 118 1HD2 LEU 13 HD21 LEU 13 -8.093 -2.180 6.837 119 2HD2 LEU 13 HD22 LEU 13 -7.882 -2.058 8.584 120 3HD2 LEU 13 HD23 LEU 13 -7.265 -0.785 7.530 121 H LYS 14 HN LYS 14 -9.854 2.304 8.152 122 HA LYS 14 HA LYS 14 -9.073 4.289 6.058 123 1HB LYS 14 HB2 LYS 14 -10.889 4.579 8.420 124 2HB LYS 14 HB1 LYS 14 -9.878 5.954 7.975 125 1HG LYS 14 HG2 LYS 14 -10.917 6.227 5.913 126 2HG LYS 14 HG1 LYS 14 -11.427 4.540 5.832 127 1HD LYS 14 HD2 LYS 14 -13.145 4.895 7.477 128 2HD LYS 14 HD1 LYS 14 -12.533 6.507 7.851 129 1HE LYS 14 HE2 LYS 14 -13.268 5.977 5.004 130 2HE LYS 14 HE1 LYS 14 -14.595 6.160 6.169 131 1HZ LYS 14 HZ1 LYS 14 -13.693 8.216 6.920 132 2HZ LYS 14 HZ2 LYS 14 -13.777 8.300 5.226 133 3HZ LYS 14 HZ3 LYS 14 -12.287 8.019 5.993 134 H GLY 15 HN GLY 15 -7.033 5.132 6.428 135 1HA GLY 15 HA2 GLY 15 -5.616 5.995 8.459 136 2HA GLY 15 HA1 GLY 15 -5.649 4.294 8.922 137 H GLU 16 HN GLU 16 -3.496 3.757 8.586 138 HA GLU 16 HA GLU 16 -2.603 3.625 5.763 139 1HB GLU 16 HB2 GLU 16 -0.477 4.781 6.342 140 2HB GLU 16 HB1 GLU 16 -1.874 5.830 6.574 141 1HG GLU 16 HG2 GLU 16 -1.745 4.742 9.040 142 2HG GLU 16 HG1 GLU 16 -0.041 4.639 8.595 143 H THR 17 HN THR 17 -0.486 2.358 5.640 144 HA THR 17 HA THR 17 0.068 0.609 7.975 145 HB THR 17 HB THR 17 -0.786 -0.437 5.257 146 HG1 THR 17 HG1 THR 17 -2.184 -0.285 7.719 147 1HG2 THR 17 HG21 THR 17 -0.239 -1.785 7.915 148 2HG2 THR 17 HG22 THR 17 0.701 -1.960 6.432 149 3HG2 THR 17 HG23 THR 17 -0.944 -2.592 6.514 150 H THR 18 HN THR 18 2.149 -0.352 7.846 151 HA THR 18 HA THR 18 3.800 0.351 5.441 152 HB THR 18 HB THR 18 5.623 0.714 7.244 153 HG1 THR 18 HG1 THR 18 4.436 -0.220 8.943 154 1HG2 THR 18 HG21 THR 18 3.245 2.484 6.745 155 2HG2 THR 18 HG22 THR 18 4.900 2.658 6.160 156 3HG2 THR 18 HG23 THR 18 4.519 3.007 7.847 157 H THR 19 HN THR 19 5.864 -1.006 5.410 158 HA THR 19 HA THR 19 5.905 -3.499 6.944 159 HB THR 19 HB THR 19 4.088 -3.907 5.330 160 HG1 THR 19 HG1 THR 19 5.339 -5.678 5.773 161 1HG2 THR 19 HG21 THR 19 5.974 -3.777 3.021 162 2HG2 THR 19 HG22 THR 19 5.346 -2.251 3.641 163 3HG2 THR 19 HG23 THR 19 4.234 -3.493 3.068 164 H GLU 20 HN GLU 20 7.624 -5.033 5.771 165 HA GLU 20 HA GLU 20 9.933 -3.287 5.005 166 1HB GLU 20 HB2 GLU 20 9.642 -5.085 7.031 167 2HB GLU 20 HB1 GLU 20 10.314 -6.128 5.778 168 1HG GLU 20 HG2 GLU 20 11.962 -4.026 5.486 169 2HG GLU 20 HG1 GLU 20 11.560 -3.820 7.191 170 H ALA 21 HN ALA 21 10.679 -3.464 2.932 171 HA ALA 21 HA ALA 21 10.442 -6.017 1.453 172 1HB ALA 21 HB1 ALA 21 9.438 -4.221 -0.386 173 2HB ALA 21 HB2 ALA 21 8.722 -3.648 1.120 174 3HB ALA 21 HB3 ALA 21 8.454 -5.309 0.592 175 H VAL 22 HN VAL 22 12.136 -6.213 -0.008 176 HA VAL 22 HA VAL 22 14.366 -4.466 0.059 177 HB VAL 22 HB VAL 22 15.091 -5.854 -1.865 178 1HG1 VAL 22 HG11 VAL 22 15.552 -7.029 0.056 179 2HG1 VAL 22 HG12 VAL 22 14.389 -8.137 -0.673 180 3HG1 VAL 22 HG13 VAL 22 13.870 -7.017 0.586 181 1HG2 VAL 22 HG21 VAL 22 12.359 -7.139 -1.744 182 2HG2 VAL 22 HG22 VAL 22 13.633 -7.421 -2.929 183 3HG2 VAL 22 HG23 VAL 22 12.765 -5.887 -2.917 184 H ASP 23 HN ASP 23 11.475 -4.423 -1.940 185 HA ASP 23 HA ASP 23 11.980 -1.733 -2.869 186 1HB ASP 23 HB2 ASP 23 12.297 -2.355 -5.281 187 2HB ASP 23 HB1 ASP 23 13.633 -2.861 -4.253 188 H ALA 24 HN ALA 24 10.371 -1.359 -4.896 189 HA ALA 24 HA ALA 24 7.730 -1.729 -3.991 190 1HB ALA 24 HB1 ALA 24 7.973 -0.039 -5.549 191 2HB ALA 24 HB2 ALA 24 7.357 -1.310 -6.605 192 3HB ALA 24 HB3 ALA 24 9.088 -0.979 -6.541 193 H ALA 25 HN ALA 25 9.768 -3.871 -5.870 194 HA ALA 25 HA ALA 25 7.814 -5.520 -7.121 195 1HB ALA 25 HB1 ALA 25 10.630 -5.464 -6.646 196 2HB ALA 25 HB2 ALA 25 9.754 -6.442 -7.820 197 3HB ALA 25 HB3 ALA 25 10.056 -7.071 -6.202 198 H THR 26 HN THR 26 8.884 -5.363 -3.779 199 HA THR 26 HA THR 26 7.243 -7.782 -3.118 200 HB THR 26 HB THR 26 9.267 -6.351 -1.383 201 HG1 THR 26 HG1 THR 26 10.541 -6.903 -2.999 202 1HG2 THR 26 HG21 THR 26 7.796 -8.942 -1.353 203 2HG2 THR 26 HG22 THR 26 8.261 -7.896 -0.010 204 3HG2 THR 26 HG23 THR 26 9.457 -8.952 -0.761 205 H ALA 27 HN ALA 27 7.651 -4.339 -2.523 206 HA ALA 27 HA ALA 27 6.063 -4.010 -0.183 207 1HB ALA 27 HB1 ALA 27 6.329 -1.773 -0.681 208 2HB ALA 27 HB2 ALA 27 5.907 -1.999 -2.378 209 3HB ALA 27 HB3 ALA 27 7.520 -2.423 -1.808 210 H GLU 28 HN GLU 28 5.001 -3.373 -3.549 211 HA GLU 28 HA GLU 28 2.208 -3.214 -3.005 212 1HB GLU 28 HB2 GLU 28 3.750 -2.717 -5.111 213 2HB GLU 28 HB1 GLU 28 3.269 -4.351 -5.573 214 1HG GLU 28 HG2 GLU 28 0.863 -3.628 -5.162 215 2HG GLU 28 HG1 GLU 28 1.469 -1.976 -5.045 216 H LYS 29 HN LYS 29 4.295 -6.010 -3.620 217 HA LYS 29 HA LYS 29 2.346 -8.007 -4.142 218 1HB LYS 29 HB2 LYS 29 4.851 -8.189 -4.266 219 2HB LYS 29 HB1 LYS 29 4.893 -8.236 -2.504 220 1HG LYS 29 HG2 LYS 29 3.894 -10.338 -2.398 221 2HG LYS 29 HG1 LYS 29 3.128 -10.164 -3.978 222 1HD LYS 29 HD2 LYS 29 5.715 -10.027 -4.733 223 2HD LYS 29 HD1 LYS 29 5.889 -11.038 -3.299 224 1HE LYS 29 HE2 LYS 29 3.719 -12.215 -4.475 225 2HE LYS 29 HE1 LYS 29 4.631 -11.679 -5.900 226 1HZ LYS 29 HZ1 LYS 29 5.656 -13.287 -3.623 227 2HZ LYS 29 HZ2 LYS 29 6.647 -12.614 -4.828 228 3HZ LYS 29 HZ3 LYS 29 5.492 -13.791 -5.234 229 H VAL 30 HN VAL 30 3.639 -6.872 -1.007 230 HA VAL 30 HA VAL 30 1.845 -8.595 0.547 231 HB VAL 30 HB VAL 30 3.665 -6.264 1.258 232 1HG1 VAL 30 HG11 VAL 30 3.571 -7.389 3.558 233 2HG1 VAL 30 HG12 VAL 30 2.168 -8.272 2.956 234 3HG1 VAL 30 HG13 VAL 30 2.122 -6.512 3.064 235 1HG2 VAL 30 HG21 VAL 30 4.032 -9.256 1.105 236 2HG2 VAL 30 HG22 VAL 30 5.062 -8.263 2.136 237 3HG2 VAL 30 HG23 VAL 30 5.032 -7.990 0.394 238 H PHE 31 HN PHE 31 2.095 -5.099 -0.167 239 HA PHE 31 HA PHE 31 -0.174 -4.257 1.352 240 1HB PHE 31 HB2 PHE 31 1.360 -3.219 -1.027 241 2HB PHE 31 HB1 PHE 31 -0.065 -2.356 -0.449 242 HD1 PHE 31 HD1 PHE 31 3.273 -2.077 -0.326 243 HD2 PHE 31 HD2 PHE 31 0.019 -2.593 2.433 244 HE1 PHE 31 HE1 PHE 31 4.629 -1.044 1.473 245 HE2 PHE 31 HE2 PHE 31 1.378 -1.560 4.229 246 HZ PHE 31 HZ PHE 31 3.684 -0.785 3.749 247 H LYS 32 HN LYS 32 0.114 -5.580 -1.927 248 HA LYS 32 HA LYS 32 -2.555 -4.987 -2.813 249 1HB LYS 32 HB2 LYS 32 -0.409 -6.990 -3.505 250 2HB LYS 32 HB1 LYS 32 -1.996 -7.114 -4.261 251 1HG LYS 32 HG2 LYS 32 -0.791 -4.401 -4.231 252 2HG LYS 32 HG1 LYS 32 0.000 -5.585 -5.271 253 1HD LYS 32 HD2 LYS 32 -2.178 -6.096 -6.333 254 2HD LYS 32 HD1 LYS 32 -2.949 -4.879 -5.315 255 1HE LYS 32 HE2 LYS 32 -2.075 -3.126 -6.522 256 2HE LYS 32 HE1 LYS 32 -0.563 -3.989 -6.869 257 1HZ LYS 32 HZ1 LYS 32 -1.823 -5.476 -8.333 258 2HZ LYS 32 HZ2 LYS 32 -1.901 -3.864 -8.862 259 3HZ LYS 32 HZ3 LYS 32 -3.226 -4.563 -8.060 260 H GLN 33 HN GLN 33 -1.123 -7.866 -1.250 261 HA GLN 33 HA GLN 33 -3.530 -9.408 -1.076 262 1HB GLN 33 HB2 GLN 33 -1.107 -10.131 -0.767 263 2HB GLN 33 HB1 GLN 33 -1.184 -9.404 0.838 264 1HG GLN 33 HG2 GLN 33 -1.693 -11.724 1.138 265 2HG GLN 33 HG1 GLN 33 -3.230 -10.866 1.263 266 1HE2 GLN 33 HE21 GLN 33 -4.534 -12.639 0.475 267 2HE2 GLN 33 HE22 GLN 33 -4.442 -13.184 -1.130 268 H TYR 34 HN TYR 34 -2.125 -6.928 0.934 269 HA TYR 34 HA TYR 34 -3.834 -7.197 3.238 270 1HB TYR 34 HB2 TYR 34 -1.816 -5.964 3.464 271 2HB TYR 34 HB1 TYR 34 -2.111 -5.040 1.996 272 HD1 TYR 34 HD1 TYR 34 -3.488 -3.064 2.013 273 HD2 TYR 34 HD2 TYR 34 -3.044 -5.447 5.553 274 HE1 TYR 34 HE1 TYR 34 -4.515 -1.250 3.352 275 HE2 TYR 34 HE2 TYR 34 -4.073 -3.633 6.903 276 HH TYR 34 HH TYR 34 -5.729 -1.662 6.371 277 H ALA 35 HN ALA 35 -4.002 -5.131 0.325 278 HA ALA 35 HA ALA 35 -6.562 -3.942 1.015 279 1HB ALA 35 HB1 ALA 35 -4.675 -4.048 -1.308 280 2HB ALA 35 HB2 ALA 35 -5.322 -2.642 -0.455 281 3HB ALA 35 HB3 ALA 35 -6.327 -3.509 -1.618 282 H ASN 36 HN ASN 36 -5.518 -6.665 -1.018 283 HA ASN 36 HA ASN 36 -7.992 -7.274 -2.256 284 1HB ASN 36 HB2 ASN 36 -5.746 -8.187 -2.833 285 2HB ASN 36 HB1 ASN 36 -5.777 -9.136 -1.346 286 1HD2 ASN 36 HD21 ASN 36 -6.762 -9.103 -4.651 287 2HD2 ASN 36 HD22 ASN 36 -7.736 -10.492 -4.605 288 H ASP 37 HN ASP 37 -6.595 -8.466 0.806 289 HA ASP 37 HA ASP 37 -8.680 -10.269 1.534 290 1HB ASP 37 HB2 ASP 37 -6.699 -8.588 3.090 291 2HB ASP 37 HB1 ASP 37 -7.750 -9.771 3.871 292 H ASN 38 HN ASN 38 -8.187 -6.873 2.587 293 HA ASN 38 HA ASN 38 -10.722 -6.681 3.964 294 1HB ASN 38 HB2 ASN 38 -8.512 -4.886 3.059 295 2HB ASN 38 HB1 ASN 38 -10.047 -4.124 3.479 296 1HD2 ASN 38 HD21 ASN 38 -7.221 -5.708 4.782 297 2HD2 ASN 38 HD22 ASN 38 -7.675 -5.614 6.415 298 H GLY 39 HN GLY 39 -9.612 -5.487 0.777 299 1HA GLY 39 HA2 GLY 39 -11.261 -5.857 -1.111 300 2HA GLY 39 HA1 GLY 39 -12.485 -5.218 -0.013 301 H ILE 40 HN ILE 40 -9.163 -4.077 -0.683 302 HA ILE 40 HA ILE 40 -10.334 -1.389 -1.287 303 HB ILE 40 HB ILE 40 -7.593 -2.269 -0.315 304 1HG1 ILE 40 HG12 ILE 40 -9.848 -0.770 1.061 305 2HG1 ILE 40 HG11 ILE 40 -9.460 -2.469 1.322 306 1HG2 ILE 40 HG21 ILE 40 -7.429 0.292 0.122 307 2HG2 ILE 40 HG22 ILE 40 -8.733 0.433 -1.055 308 3HG2 ILE 40 HG23 ILE 40 -7.183 -0.267 -1.535 309 1HD1 ILE 40 HD11 ILE 40 -8.473 -0.501 2.875 310 2HD1 ILE 40 HD12 ILE 40 -7.218 -0.537 1.636 311 3HD1 ILE 40 HD13 ILE 40 -7.588 -1.993 2.559 312 H ASP 41 HN ASP 41 -10.729 -2.260 -3.532 313 HA ASP 41 HA ASP 41 -8.272 -2.513 -5.207 314 1HB ASP 41 HB2 ASP 41 -10.276 -4.124 -5.245 315 2HB ASP 41 HB1 ASP 41 -11.184 -2.811 -5.996 316 H GLY 42 HN GLY 42 -8.921 0.030 -4.042 317 1HA GLY 42 HA2 GLY 42 -10.415 1.747 -5.764 318 2HA GLY 42 HA1 GLY 42 -9.194 2.269 -4.603 319 H GLU 43 HN GLU 43 -8.023 3.683 -5.817 320 HA GLU 43 HA GLU 43 -6.886 2.715 -8.375 321 1HB GLU 43 HB2 GLU 43 -7.545 5.453 -7.273 322 2HB GLU 43 HB1 GLU 43 -6.559 5.239 -8.720 323 1HG GLU 43 HG2 GLU 43 -8.604 3.637 -9.389 324 2HG GLU 43 HG1 GLU 43 -9.469 4.741 -8.319 325 H TRP 44 HN TRP 44 -4.871 1.931 -7.959 326 HA TRP 44 HA TRP 44 -3.326 2.830 -5.694 327 1HB TRP 44 HB2 TRP 44 -3.006 0.856 -7.926 328 2HB TRP 44 HB1 TRP 44 -1.662 1.200 -6.831 329 HD1 TRP 44 HD1 TRP 44 -5.400 0.242 -6.618 330 HE1 TRP 44 HE1 TRP 44 -5.727 -1.218 -4.513 331 HE3 TRP 44 HE3 TRP 44 -0.656 0.334 -4.731 332 HZ2 TRP 44 HZ2 TRP 44 -4.182 -2.186 -2.313 333 HZ3 TRP 44 HZ3 TRP 44 -0.111 -0.864 -2.632 334 HH2 TRP 44 HH2 TRP 44 -1.868 -2.128 -1.421 335 H THR 45 HN THR 45 -1.490 4.008 -5.661 336 HA THR 45 HA THR 45 -0.215 4.982 -8.134 337 HB THR 45 HB THR 45 -0.479 7.365 -7.056 338 HG1 THR 45 HG1 THR 45 -2.219 7.584 -5.758 339 1HG2 THR 45 HG21 THR 45 -2.095 7.789 -8.633 340 2HG2 THR 45 HG22 THR 45 -3.075 6.404 -8.154 341 3HG2 THR 45 HG23 THR 45 -1.642 6.166 -9.154 342 H TYR 46 HN TYR 46 1.953 5.121 -7.718 343 HA TYR 46 HA TYR 46 2.829 4.845 -4.879 344 1HB TYR 46 HB2 TYR 46 3.529 3.042 -6.259 345 2HB TYR 46 HB1 TYR 46 3.903 4.103 -7.609 346 HD1 TYR 46 HD1 TYR 46 5.116 2.689 -4.442 347 HD2 TYR 46 HD2 TYR 46 5.977 5.430 -7.634 348 HE1 TYR 46 HE1 TYR 46 7.485 2.750 -3.746 349 HE2 TYR 46 HE2 TYR 46 8.354 5.498 -6.933 350 HH TYR 46 HH TYR 46 9.935 3.920 -5.671 351 H ASP 47 HN ASP 47 3.632 6.675 -3.947 352 HA ASP 47 HA ASP 47 4.455 8.982 -5.610 353 1HB ASP 47 HB2 ASP 47 4.114 8.518 -2.629 354 2HB ASP 47 HB1 ASP 47 4.501 10.080 -3.352 355 H ASP 48 HN ASP 48 6.556 8.897 -6.314 356 HA ASP 48 HA ASP 48 8.662 7.381 -5.070 357 1HB ASP 48 HB2 ASP 48 8.405 8.203 -7.478 358 2HB ASP 48 HB1 ASP 48 8.940 9.780 -6.896 359 H ALA 49 HN ALA 49 7.325 10.486 -4.307 360 HA ALA 49 HA ALA 49 9.515 11.938 -3.319 361 1HB ALA 49 HB1 ALA 49 6.744 11.729 -2.107 362 2HB ALA 49 HB2 ALA 49 7.112 12.649 -3.567 363 3HB ALA 49 HB3 ALA 49 7.830 13.117 -2.025 364 H THR 50 HN THR 50 7.561 9.450 -1.660 365 HA THR 50 HA THR 50 9.808 9.017 0.247 366 HB THR 50 HB THR 50 8.215 9.210 2.141 367 HG1 THR 50 HG1 THR 50 6.417 10.091 0.134 368 1HG2 THR 50 HG21 THR 50 9.513 11.201 1.239 369 2HG2 THR 50 HG22 THR 50 8.062 11.601 2.158 370 3HG2 THR 50 HG23 THR 50 8.038 11.675 0.396 371 H LYS 51 HN LYS 51 8.310 7.516 -1.999 372 HA LYS 51 HA LYS 51 7.524 5.325 -2.405 373 1HB LYS 51 HB2 LYS 51 9.577 5.340 -0.331 374 2HB LYS 51 HB1 LYS 51 8.503 3.952 -0.156 375 1HG LYS 51 HG2 LYS 51 10.008 3.080 -1.675 376 2HG LYS 51 HG1 LYS 51 8.849 3.805 -2.791 377 1HD LYS 51 HD2 LYS 51 10.271 5.520 -3.369 378 2HD LYS 51 HD1 LYS 51 11.028 5.567 -1.778 379 1HE LYS 51 HE2 LYS 51 12.249 3.475 -2.285 380 2HE LYS 51 HE1 LYS 51 11.498 3.433 -3.893 381 1HZ LYS 51 HZ1 LYS 51 12.487 5.481 -4.468 382 2HZ LYS 51 HZ2 LYS 51 13.733 4.557 -3.775 383 3HZ LYS 51 HZ3 LYS 51 12.985 5.789 -2.876 384 H THR 52 HN THR 52 5.249 5.859 -2.030 385 HA THR 52 HA THR 52 4.149 4.480 0.356 386 HB THR 52 HB THR 52 3.527 7.358 -0.381 387 HG1 THR 52 HG1 THR 52 4.655 7.818 1.521 388 1HG2 THR 52 HG21 THR 52 2.782 6.183 2.241 389 2HG2 THR 52 HG22 THR 52 1.858 5.624 0.847 390 3HG2 THR 52 HG23 THR 52 1.911 7.343 1.238 391 H PHE 53 HN PHE 53 2.976 2.985 -0.864 392 HA PHE 53 HA PHE 53 1.622 3.510 -3.340 393 1HB PHE 53 HB2 PHE 53 1.216 1.468 -1.127 394 2HB PHE 53 HB1 PHE 53 0.421 1.372 -2.699 395 HD1 PHE 53 HD1 PHE 53 1.688 0.896 -4.733 396 HD2 PHE 53 HD2 PHE 53 3.631 1.114 -0.909 397 HE1 PHE 53 HE1 PHE 53 3.705 -0.179 -5.695 398 HE2 PHE 53 HE2 PHE 53 5.647 0.040 -1.868 399 HZ PHE 53 HZ PHE 53 5.684 -0.608 -4.264 400 H THR 54 HN THR 54 -0.398 4.450 -3.711 401 HA THR 54 HA THR 54 -2.041 5.094 -1.268 402 HB THR 54 HB THR 54 -1.543 6.730 -3.771 403 HG1 THR 54 HG1 THR 54 -0.230 7.932 -2.450 404 1HG2 THR 54 HG21 THR 54 -2.744 7.753 -1.212 405 2HG2 THR 54 HG22 THR 54 -3.770 6.977 -2.417 406 3HG2 THR 54 HG23 THR 54 -2.859 8.426 -2.837 407 H VAL 55 HN VAL 55 -3.781 3.625 -1.471 408 HA VAL 55 HA VAL 55 -5.188 3.522 -4.072 409 HB VAL 55 HB VAL 55 -4.462 1.357 -3.024 410 1HG1 VAL 55 HG11 VAL 55 -4.850 2.182 -0.651 411 2HG1 VAL 55 HG12 VAL 55 -5.453 0.560 -1.007 412 3HG1 VAL 55 HG13 VAL 55 -6.570 1.933 -0.958 413 1HG2 VAL 55 HG21 VAL 55 -7.463 1.643 -3.042 414 2HG2 VAL 55 HG22 VAL 55 -6.521 0.201 -3.411 415 3HG2 VAL 55 HG23 VAL 55 -6.490 1.579 -4.511 416 H THR 56 HN THR 56 -7.643 3.458 -3.835 417 HA THR 56 HA THR 56 -8.800 4.756 -1.469 418 HB THR 56 HB THR 56 -8.559 6.094 -4.179 419 HG1 THR 56 HG1 THR 56 -6.979 7.151 -3.302 420 1HG2 THR 56 HG21 THR 56 -10.519 7.071 -3.563 421 2HG2 THR 56 HG22 THR 56 -9.514 7.994 -2.446 422 3HG2 THR 56 HG23 THR 56 -10.358 6.551 -1.885 423 H GLU 57 HN GLU 57 -10.531 3.355 -1.302 424 HA GLU 57 HA GLU 57 -11.957 2.446 -3.744 425 1HB GLU 57 HB2 GLU 57 -11.209 1.300 -1.318 426 2HB GLU 57 HB1 GLU 57 -12.936 1.584 -1.111 427 1HG GLU 57 HG2 GLU 57 -12.060 0.415 -3.710 428 2HG GLU 57 HG1 GLU 57 -11.990 -0.633 -2.293 Start of MODEL 16 1 1H MET 1 HT1 MET 1 16.858 -1.569 3.303 2 2H MET 1 HT2 MET 1 17.137 -2.961 4.237 3 3H MET 1 HT3 MET 1 16.520 -1.555 4.965 4 HA MET 1 HA MET 1 15.129 -3.354 3.051 5 1HB MET 1 HB2 MET 1 15.128 -2.715 5.968 6 2HB MET 1 HB1 MET 1 13.572 -3.083 5.223 7 1HG MET 1 HG2 MET 1 14.356 -5.226 4.457 8 2HG MET 1 HG1 MET 1 16.016 -4.844 4.914 9 1HE MET 1 HE1 MET 1 14.688 -7.625 6.054 10 2HE MET 1 HE2 MET 1 13.274 -6.753 5.468 11 3HE MET 1 HE3 MET 1 13.324 -7.317 7.137 12 H THR 2 HN THR 2 13.925 -2.185 1.614 13 HA THR 2 HA THR 2 13.330 0.636 1.947 14 HB THR 2 HB THR 2 12.142 -1.432 0.067 15 HG1 THR 2 HG1 THR 2 14.463 0.185 -0.133 16 1HG2 THR 2 HG21 THR 2 11.923 0.579 -1.423 17 2HG2 THR 2 HG22 THR 2 12.401 1.582 -0.052 18 3HG2 THR 2 HG23 THR 2 10.906 0.648 0.019 19 H THR 3 HN THR 3 11.867 1.265 3.487 20 HA THR 3 HA THR 3 9.618 -0.444 4.237 21 HB THR 3 HB THR 3 10.520 2.283 5.197 22 HG1 THR 3 HG1 THR 3 12.098 1.123 5.942 23 1HG2 THR 3 HG21 THR 3 8.254 1.904 5.882 24 2HG2 THR 3 HG22 THR 3 9.269 1.539 7.278 25 3HG2 THR 3 HG23 THR 3 8.598 0.228 6.308 26 H PHE 4 HN PHE 4 8.131 -0.334 2.485 27 HA PHE 4 HA PHE 4 7.361 2.224 1.282 28 1HB PHE 4 HB2 PHE 4 6.340 -0.627 1.143 29 2HB PHE 4 HB1 PHE 4 5.656 0.682 0.182 30 HD1 PHE 4 HD1 PHE 4 7.088 1.885 -1.484 31 HD2 PHE 4 HD2 PHE 4 8.444 -1.617 0.601 32 HE1 PHE 4 HE1 PHE 4 8.900 1.593 -3.153 33 HE2 PHE 4 HE2 PHE 4 10.256 -1.909 -1.066 34 HZ PHE 4 HZ PHE 4 10.482 -0.305 -2.942 35 H LYS 5 HN LYS 5 4.925 2.798 1.283 36 HA LYS 5 HA LYS 5 3.600 2.140 3.884 37 1HB LYS 5 HB2 LYS 5 4.806 4.656 2.983 38 2HB LYS 5 HB1 LYS 5 3.118 4.856 3.450 39 1HG LYS 5 HG2 LYS 5 3.529 4.394 5.651 40 2HG LYS 5 HG1 LYS 5 4.770 3.198 5.274 41 1HD LYS 5 HD2 LYS 5 5.886 5.065 6.304 42 2HD LYS 5 HD1 LYS 5 6.269 5.122 4.583 43 1HE LYS 5 HE2 LYS 5 5.643 7.343 4.947 44 2HE LYS 5 HE1 LYS 5 4.069 6.644 4.513 45 1HZ LYS 5 HZ1 LYS 5 5.150 6.864 7.274 46 2HZ LYS 5 HZ2 LYS 5 3.642 6.209 6.843 47 3HZ LYS 5 HZ3 LYS 5 3.949 7.864 6.614 48 H LEU 6 HN LEU 6 1.515 1.536 3.461 49 HA LEU 6 HA LEU 6 0.269 2.365 0.879 50 1HB LEU 6 HB2 LEU 6 0.393 -0.027 1.306 51 2HB LEU 6 HB1 LEU 6 -0.314 0.181 2.907 52 HG LEU 6 HG LEU 6 -2.401 1.049 1.822 53 1HD1 LEU 6 HD11 LEU 6 -2.585 0.428 -0.674 54 2HD1 LEU 6 HD12 LEU 6 -0.822 0.377 -0.660 55 3HD1 LEU 6 HD13 LEU 6 -1.664 1.876 -0.269 56 1HD2 LEU 6 HD21 LEU 6 -1.324 -1.700 1.489 57 2HD2 LEU 6 HD22 LEU 6 -2.775 -1.319 0.562 58 3HD2 LEU 6 HD23 LEU 6 -2.783 -1.154 2.319 59 H ILE 7 HN ILE 7 -1.159 4.064 1.007 60 HA ILE 7 HA ILE 7 -2.144 5.084 3.534 61 HB ILE 7 HB ILE 7 -1.707 6.161 1.135 62 1HG1 ILE 7 HG12 ILE 7 -4.130 7.241 2.498 63 2HG1 ILE 7 HG11 ILE 7 -2.637 7.103 3.426 64 1HG2 ILE 7 HG21 ILE 7 -4.689 5.967 0.918 65 2HG2 ILE 7 HG22 ILE 7 -3.700 4.668 0.252 66 3HG2 ILE 7 HG23 ILE 7 -3.496 6.318 -0.331 67 1HD1 ILE 7 HD11 ILE 7 -2.645 9.294 2.427 68 2HD1 ILE 7 HD12 ILE 7 -3.052 8.628 0.845 69 3HD1 ILE 7 HD13 ILE 7 -1.463 8.323 1.547 70 H ILE 8 HN ILE 8 -4.690 5.329 3.778 71 HA ILE 8 HA ILE 8 -6.021 2.801 2.881 72 HB ILE 8 HB ILE 8 -5.990 3.993 5.673 73 1HG1 ILE 8 HG12 ILE 8 -4.790 1.406 4.632 74 2HG1 ILE 8 HG11 ILE 8 -3.866 2.869 4.969 75 1HG2 ILE 8 HG21 ILE 8 -7.390 2.212 6.346 76 2HG2 ILE 8 HG22 ILE 8 -7.097 1.306 4.862 77 3HG2 ILE 8 HG23 ILE 8 -8.103 2.753 4.828 78 1HD1 ILE 8 HD11 ILE 8 -5.612 1.552 7.055 79 2HD1 ILE 8 HD12 ILE 8 -4.358 2.767 7.300 80 3HD1 ILE 8 HD13 ILE 8 -3.916 1.124 6.837 81 H ASN 9 HN ASN 9 -6.967 4.487 1.327 82 HA ASN 9 HA ASN 9 -9.010 6.250 2.593 83 1HB ASN 9 HB2 ASN 9 -7.962 5.913 -0.238 84 2HB ASN 9 HB1 ASN 9 -9.210 7.072 0.213 85 1HD2 ASN 9 HD21 ASN 9 -6.573 7.800 -0.840 86 2HD2 ASN 9 HD22 ASN 9 -5.782 8.685 0.373 87 H GLY 10 HN GLY 10 -9.517 3.568 2.949 88 1HA GLY 10 HA2 GLY 10 -11.580 2.897 0.900 89 2HA GLY 10 HA1 GLY 10 -10.767 1.707 1.920 90 H LYS 11 HN LYS 11 -13.634 2.116 1.677 91 HA LYS 11 HA LYS 11 -14.646 3.545 3.985 92 1HB LYS 11 HB2 LYS 11 -15.862 2.937 1.857 93 2HB LYS 11 HB1 LYS 11 -15.887 1.265 2.418 94 1HG LYS 11 HG2 LYS 11 -17.476 1.679 4.008 95 2HG LYS 11 HG1 LYS 11 -16.844 3.286 4.368 96 1HD LYS 11 HD2 LYS 11 -17.722 3.782 1.896 97 2HD LYS 11 HD1 LYS 11 -18.806 2.444 2.277 98 1HE LYS 11 HE2 LYS 11 -19.990 4.364 3.027 99 2HE LYS 11 HE1 LYS 11 -19.241 3.738 4.509 100 1HZ LYS 11 HZ1 LYS 11 -18.098 5.827 2.728 101 2HZ LYS 11 HZ2 LYS 11 -17.342 5.196 4.112 102 3HZ LYS 11 HZ3 LYS 11 -18.775 6.096 4.259 103 H THR 12 HN THR 12 -12.963 0.568 3.705 104 HA THR 12 HA THR 12 -14.286 -0.695 6.030 105 HB THR 12 HB THR 12 -11.850 -1.545 4.436 106 HG1 THR 12 HG1 THR 12 -13.324 -1.515 2.904 107 1HG2 THR 12 HG21 THR 12 -12.044 -2.872 6.393 108 2HG2 THR 12 HG22 THR 12 -12.805 -3.829 5.122 109 3HG2 THR 12 HG23 THR 12 -13.802 -2.936 6.271 110 H LEU 13 HN LEU 13 -11.256 0.962 5.193 111 HA LEU 13 HA LEU 13 -10.628 1.122 8.114 112 1HB LEU 13 HB2 LEU 13 -8.987 -0.038 5.871 113 2HB LEU 13 HB1 LEU 13 -8.188 0.649 7.286 114 HG LEU 13 HG LEU 13 -10.407 -1.382 7.549 115 1HD1 LEU 13 HD11 LEU 13 -7.454 -2.024 7.606 116 2HD1 LEU 13 HD12 LEU 13 -8.422 -2.199 6.142 117 3HD1 LEU 13 HD13 LEU 13 -8.812 -3.150 7.576 118 1HD2 LEU 13 HD21 LEU 13 -9.463 0.168 9.447 119 2HD2 LEU 13 HD22 LEU 13 -8.088 -0.935 9.413 120 3HD2 LEU 13 HD23 LEU 13 -9.701 -1.548 9.777 121 H LYS 14 HN LYS 14 -8.863 2.782 8.502 122 HA LYS 14 HA LYS 14 -8.578 4.827 6.359 123 1HB LYS 14 HB2 LYS 14 -10.229 4.956 8.815 124 2HB LYS 14 HB1 LYS 14 -9.223 6.374 8.520 125 1HG LYS 14 HG2 LYS 14 -10.148 6.198 6.075 126 2HG LYS 14 HG1 LYS 14 -11.425 5.235 6.820 127 1HD LYS 14 HD2 LYS 14 -12.263 7.447 6.884 128 2HD LYS 14 HD1 LYS 14 -11.641 7.175 8.512 129 1HE LYS 14 HE2 LYS 14 -10.715 9.275 7.961 130 2HE LYS 14 HE1 LYS 14 -9.404 8.163 7.517 131 1HZ LYS 14 HZ1 LYS 14 -9.897 9.654 5.682 132 2HZ LYS 14 HZ2 LYS 14 -11.527 9.172 5.695 133 3HZ LYS 14 HZ3 LYS 14 -10.313 8.062 5.269 134 H GLY 15 HN GLY 15 -6.577 5.826 6.485 135 1HA GLY 15 HA2 GLY 15 -4.895 6.828 8.135 136 2HA GLY 15 HA1 GLY 15 -4.917 5.240 8.903 137 H GLU 16 HN GLU 16 -2.871 4.477 8.463 138 HA GLU 16 HA GLU 16 -2.247 3.821 5.653 139 1HB GLU 16 HB2 GLU 16 -0.056 5.003 5.787 140 2HB GLU 16 HB1 GLU 16 -1.416 6.116 5.925 141 1HG GLU 16 HG2 GLU 16 -1.178 5.886 8.457 142 2HG GLU 16 HG1 GLU 16 0.358 5.077 8.145 143 H THR 17 HN THR 17 -0.625 2.165 5.502 144 HA THR 17 HA THR 17 0.148 0.918 8.123 145 HB THR 17 HB THR 17 -0.405 -0.502 5.507 146 HG1 THR 17 HG1 THR 17 -2.167 0.039 7.662 147 1HG2 THR 17 HG21 THR 17 -0.896 -2.372 7.180 148 2HG2 THR 17 HG22 THR 17 -0.166 -1.331 8.402 149 3HG2 THR 17 HG23 THR 17 0.793 -1.888 7.030 150 H THR 18 HN THR 18 2.183 -0.343 8.014 151 HA THR 18 HA THR 18 4.022 0.549 5.814 152 HB THR 18 HB THR 18 5.744 0.609 7.707 153 HG1 THR 18 HG1 THR 18 3.402 0.651 9.299 154 1HG2 THR 18 HG21 THR 18 5.220 2.764 7.170 155 2HG2 THR 18 HG22 THR 18 4.399 2.730 8.731 156 3HG2 THR 18 HG23 THR 18 3.483 2.469 7.247 157 H THR 19 HN THR 19 6.109 -0.891 5.922 158 HA THR 19 HA THR 19 5.833 -3.591 6.993 159 HB THR 19 HB THR 19 4.231 -3.655 5.125 160 HG1 THR 19 HG1 THR 19 4.955 -5.548 4.603 161 1HG2 THR 19 HG21 THR 19 5.307 -1.802 3.824 162 2HG2 THR 19 HG22 THR 19 4.918 -3.212 2.840 163 3HG2 THR 19 HG23 THR 19 6.581 -2.928 3.355 164 H GLU 20 HN GLU 20 7.582 -5.006 5.547 165 HA GLU 20 HA GLU 20 10.011 -3.274 5.225 166 1HB GLU 20 HB2 GLU 20 9.519 -5.830 6.745 167 2HB GLU 20 HB1 GLU 20 11.145 -5.416 6.202 168 1HG GLU 20 HG2 GLU 20 10.821 -3.158 7.326 169 2HG GLU 20 HG1 GLU 20 9.359 -3.824 8.055 170 H ALA 21 HN ALA 21 10.152 -3.347 2.969 171 HA ALA 21 HA ALA 21 10.443 -6.068 1.738 172 1HB ALA 21 HB1 ALA 21 8.255 -4.910 1.267 173 2HB ALA 21 HB2 ALA 21 9.207 -5.227 -0.183 174 3HB ALA 21 HB3 ALA 21 9.166 -3.604 0.507 175 H VAL 22 HN VAL 22 11.939 -6.120 -0.070 176 HA VAL 22 HA VAL 22 14.208 -4.320 0.212 177 HB VAL 22 HB VAL 22 14.409 -6.713 -0.323 178 1HG1 VAL 22 HG11 VAL 22 12.743 -5.912 -2.701 179 2HG1 VAL 22 HG12 VAL 22 12.513 -7.263 -1.592 180 3HG1 VAL 22 HG13 VAL 22 13.810 -7.313 -2.785 181 1HG2 VAL 22 HG21 VAL 22 16.101 -6.523 -1.968 182 2HG2 VAL 22 HG22 VAL 22 16.043 -4.925 -1.224 183 3HG2 VAL 22 HG23 VAL 22 15.273 -5.198 -2.787 184 H ASP 23 HN ASP 23 11.375 -4.419 -1.846 185 HA ASP 23 HA ASP 23 11.894 -1.770 -2.900 186 1HB ASP 23 HB2 ASP 23 12.195 -2.522 -5.276 187 2HB ASP 23 HB1 ASP 23 13.528 -2.998 -4.227 188 H ALA 24 HN ALA 24 10.240 -1.351 -4.791 189 HA ALA 24 HA ALA 24 7.615 -1.782 -3.868 190 1HB ALA 24 HB1 ALA 24 7.720 -0.043 -5.355 191 2HB ALA 24 HB2 ALA 24 7.276 -1.293 -6.518 192 3HB ALA 24 HB3 ALA 24 8.966 -0.826 -6.328 193 H ALA 25 HN ALA 25 9.601 -3.756 -6.009 194 HA ALA 25 HA ALA 25 7.614 -5.375 -7.231 195 1HB ALA 25 HB1 ALA 25 9.450 -6.556 -7.946 196 2HB ALA 25 HB2 ALA 25 10.140 -6.655 -6.327 197 3HB ALA 25 HB3 ALA 25 10.320 -5.177 -7.273 198 H THR 26 HN THR 26 8.805 -5.370 -3.934 199 HA THR 26 HA THR 26 7.306 -7.903 -3.366 200 HB THR 26 HB THR 26 9.419 -6.464 -1.732 201 HG1 THR 26 HG1 THR 26 10.721 -7.213 -3.178 202 1HG2 THR 26 HG21 THR 26 8.886 -9.390 -1.566 203 2HG2 THR 26 HG22 THR 26 7.689 -8.311 -0.850 204 3HG2 THR 26 HG23 THR 26 9.364 -8.260 -0.299 205 H ALA 27 HN ALA 27 7.605 -4.492 -2.560 206 HA ALA 27 HA ALA 27 6.085 -4.407 -0.146 207 1HB ALA 27 HB1 ALA 27 7.435 -2.650 -1.741 208 2HB ALA 27 HB2 ALA 27 6.363 -2.152 -0.432 209 3HB ALA 27 HB3 ALA 27 5.769 -2.193 -2.092 210 H GLU 28 HN GLU 28 4.998 -3.841 -3.515 211 HA GLU 28 HA GLU 28 2.221 -3.532 -2.990 212 1HB GLU 28 HB2 GLU 28 3.784 -3.311 -5.134 213 2HB GLU 28 HB1 GLU 28 3.201 -4.947 -5.445 214 1HG GLU 28 HG2 GLU 28 0.854 -4.097 -5.161 215 2HG GLU 28 HG1 GLU 28 1.510 -2.464 -5.049 216 H LYS 29 HN LYS 29 4.121 -6.500 -3.584 217 HA LYS 29 HA LYS 29 1.995 -8.375 -3.749 218 1HB LYS 29 HB2 LYS 29 4.817 -8.508 -2.662 219 2HB LYS 29 HB1 LYS 29 3.800 -9.938 -2.836 220 1HG LYS 29 HG2 LYS 29 3.498 -9.361 -5.257 221 2HG LYS 29 HG1 LYS 29 4.663 -8.053 -5.046 222 1HD LYS 29 HD2 LYS 29 6.376 -9.672 -4.342 223 2HD LYS 29 HD1 LYS 29 5.215 -10.988 -4.516 224 1HE LYS 29 HE2 LYS 29 5.744 -9.161 -6.853 225 2HE LYS 29 HE1 LYS 29 6.851 -10.504 -6.506 226 1HZ LYS 29 HZ1 LYS 29 5.064 -12.043 -6.560 227 2HZ LYS 29 HZ2 LYS 29 4.926 -11.099 -7.965 228 3HZ LYS 29 HZ3 LYS 29 3.903 -10.811 -6.640 229 H VAL 30 HN VAL 30 3.622 -7.005 -0.901 230 HA VAL 30 HA VAL 30 2.081 -8.617 1.005 231 HB VAL 30 HB VAL 30 3.893 -6.190 1.282 232 1HG1 VAL 30 HG11 VAL 30 2.549 -7.989 3.284 233 2HG1 VAL 30 HG12 VAL 30 2.723 -6.233 3.309 234 3HG1 VAL 30 HG13 VAL 30 4.112 -7.263 3.664 235 1HG2 VAL 30 HG21 VAL 30 4.335 -9.162 1.234 236 2HG2 VAL 30 HG22 VAL 30 5.397 -8.145 2.208 237 3HG2 VAL 30 HG23 VAL 30 5.279 -7.884 0.468 238 H PHE 31 HN PHE 31 2.183 -5.153 0.091 239 HA PHE 31 HA PHE 31 -0.004 -4.335 1.758 240 1HB PHE 31 HB2 PHE 31 1.494 -3.280 -0.612 241 2HB PHE 31 HB1 PHE 31 0.004 -2.465 -0.141 242 HD1 PHE 31 HD1 PHE 31 -0.048 -2.572 2.748 243 HD2 PHE 31 HD2 PHE 31 3.317 -2.037 0.131 244 HE1 PHE 31 HE1 PHE 31 1.171 -1.394 4.557 245 HE2 PHE 31 HE2 PHE 31 4.535 -0.863 1.942 246 HZ PHE 31 HZ PHE 31 3.464 -0.541 4.154 247 H LYS 32 HN LYS 32 0.123 -5.638 -1.537 248 HA LYS 32 HA LYS 32 -2.577 -5.026 -2.298 249 1HB LYS 32 HB2 LYS 32 -0.766 -5.742 -3.835 250 2HB LYS 32 HB1 LYS 32 -0.758 -7.335 -3.078 251 1HG LYS 32 HG2 LYS 32 -2.878 -7.890 -3.934 252 2HG LYS 32 HG1 LYS 32 -3.298 -6.204 -4.238 253 1HD LYS 32 HD2 LYS 32 -0.942 -7.391 -5.665 254 2HD LYS 32 HD1 LYS 32 -2.567 -7.768 -6.238 255 1HE LYS 32 HE2 LYS 32 -2.882 -5.665 -7.069 256 2HE LYS 32 HE1 LYS 32 -2.122 -4.900 -5.659 257 1HZ LYS 32 HZ1 LYS 32 -0.803 -4.748 -7.768 258 2HZ LYS 32 HZ2 LYS 32 -0.603 -6.434 -7.696 259 3HZ LYS 32 HZ3 LYS 32 0.024 -5.448 -6.462 260 H GLN 33 HN GLN 33 -1.121 -7.936 -0.802 261 HA GLN 33 HA GLN 33 -3.522 -9.459 -0.540 262 1HB GLN 33 HB2 GLN 33 -0.792 -9.395 0.611 263 2HB GLN 33 HB1 GLN 33 -2.004 -10.284 1.531 264 1HG GLN 33 HG2 GLN 33 -2.020 -10.790 -1.386 265 2HG GLN 33 HG1 GLN 33 -0.589 -11.366 -0.531 266 1HE2 GLN 33 HE21 GLN 33 -4.124 -11.702 -0.734 267 2HE2 GLN 33 HE22 GLN 33 -4.208 -13.144 0.158 268 H TYR 34 HN TYR 34 -2.112 -6.932 1.392 269 HA TYR 34 HA TYR 34 -3.783 -7.209 3.735 270 1HB TYR 34 HB2 TYR 34 -1.752 -6.011 3.961 271 2HB TYR 34 HB1 TYR 34 -2.022 -5.091 2.487 272 HD1 TYR 34 HD1 TYR 34 -2.952 -5.447 6.045 273 HD2 TYR 34 HD2 TYR 34 -3.369 -3.088 2.485 274 HE1 TYR 34 HE1 TYR 34 -3.937 -3.600 7.384 275 HE2 TYR 34 HE2 TYR 34 -4.352 -1.243 3.812 276 HH TYR 34 HH TYR 34 -5.661 -1.146 6.136 277 H ALA 35 HN ALA 35 -3.993 -5.233 0.769 278 HA ALA 35 HA ALA 35 -6.531 -3.993 1.527 279 1HB ALA 35 HB1 ALA 35 -4.580 -3.984 -0.711 280 2HB ALA 35 HB2 ALA 35 -5.405 -2.628 0.065 281 3HB ALA 35 HB3 ALA 35 -6.243 -3.592 -1.152 282 H ASN 36 HN ASN 36 -5.504 -6.652 -0.608 283 HA ASN 36 HA ASN 36 -7.967 -7.210 -1.874 284 1HB ASN 36 HB2 ASN 36 -5.434 -8.616 -1.231 285 2HB ASN 36 HB1 ASN 36 -6.800 -9.651 -1.647 286 1HD2 ASN 36 HD21 ASN 36 -8.083 -8.675 -3.698 287 2HD2 ASN 36 HD22 ASN 36 -7.086 -8.196 -4.986 288 H ASP 37 HN ASP 37 -6.606 -8.695 1.086 289 HA ASP 37 HA ASP 37 -8.869 -10.314 1.740 290 1HB ASP 37 HB2 ASP 37 -6.485 -10.371 2.643 291 2HB ASP 37 HB1 ASP 37 -6.924 -8.998 3.658 292 H ASN 38 HN ASN 38 -7.950 -7.044 2.871 293 HA ASN 38 HA ASN 38 -10.240 -6.635 4.562 294 1HB ASN 38 HB2 ASN 38 -8.167 -4.933 3.196 295 2HB ASN 38 HB1 ASN 38 -9.511 -4.156 4.033 296 1HD2 ASN 38 HD21 ASN 38 -6.406 -4.818 4.612 297 2HD2 ASN 38 HD22 ASN 38 -6.457 -5.237 6.255 298 H GLY 39 HN GLY 39 -9.568 -5.668 1.186 299 1HA GLY 39 HA2 GLY 39 -11.483 -5.922 -0.422 300 2HA GLY 39 HA1 GLY 39 -12.506 -5.224 0.833 301 H ILE 40 HN ILE 40 -9.246 -4.116 -0.034 302 HA ILE 40 HA ILE 40 -10.430 -1.450 -0.689 303 HB ILE 40 HB ILE 40 -7.623 -2.326 0.081 304 1HG1 ILE 40 HG12 ILE 40 -9.743 -0.805 1.636 305 2HG1 ILE 40 HG11 ILE 40 -9.354 -2.508 1.874 306 1HG2 ILE 40 HG21 ILE 40 -8.833 0.352 -0.612 307 2HG2 ILE 40 HG22 ILE 40 -7.303 -0.340 -1.168 308 3HG2 ILE 40 HG23 ILE 40 -7.461 0.249 0.489 309 1HD1 ILE 40 HD11 ILE 40 -7.194 -0.414 2.040 310 2HD1 ILE 40 HD12 ILE 40 -7.223 -2.028 2.749 311 3HD1 ILE 40 HD13 ILE 40 -8.227 -0.747 3.430 312 H ASP 41 HN ASP 41 -10.960 -2.651 -2.856 313 HA ASP 41 HA ASP 41 -8.636 -2.889 -4.688 314 1HB ASP 41 HB2 ASP 41 -10.754 -4.423 -4.453 315 2HB ASP 41 HB1 ASP 41 -11.550 -3.172 -5.409 316 H GLY 42 HN GLY 42 -8.894 -0.289 -3.793 317 1HA GLY 42 HA2 GLY 42 -10.592 1.316 -5.523 318 2HA GLY 42 HA1 GLY 42 -9.350 1.922 -4.424 319 H GLU 43 HN GLU 43 -8.165 3.221 -5.737 320 HA GLU 43 HA GLU 43 -7.059 2.049 -8.219 321 1HB GLU 43 HB2 GLU 43 -6.912 4.385 -9.019 322 2HB GLU 43 HB1 GLU 43 -8.560 3.988 -8.545 323 1HG GLU 43 HG2 GLU 43 -8.508 5.814 -7.218 324 2HG GLU 43 HG1 GLU 43 -7.386 4.936 -6.185 325 H TRP 44 HN TRP 44 -5.020 1.370 -7.799 326 HA TRP 44 HA TRP 44 -3.473 2.480 -5.628 327 1HB TRP 44 HB2 TRP 44 -3.154 0.320 -7.681 328 2HB TRP 44 HB1 TRP 44 -1.790 0.788 -6.658 329 HD1 TRP 44 HD1 TRP 44 -5.511 -0.177 -6.234 330 HE1 TRP 44 HE1 TRP 44 -5.753 -1.450 -4.002 331 HE3 TRP 44 HE3 TRP 44 -0.700 0.080 -4.544 332 HZ2 TRP 44 HZ2 TRP 44 -4.123 -2.228 -1.790 333 HZ3 TRP 44 HZ3 TRP 44 -0.072 -0.936 -2.373 334 HH2 TRP 44 HH2 TRP 44 -1.777 -2.095 -0.995 335 H THR 45 HN THR 45 -1.670 3.696 -5.713 336 HA THR 45 HA THR 45 -0.451 4.491 -8.282 337 HB THR 45 HB THR 45 -0.710 6.936 -7.392 338 HG1 THR 45 HG1 THR 45 -2.443 7.242 -6.062 339 1HG2 THR 45 HG21 THR 45 -1.878 5.738 -9.382 340 2HG2 THR 45 HG22 THR 45 -2.582 7.237 -8.778 341 3HG2 THR 45 HG23 THR 45 -3.285 5.685 -8.321 342 H TYR 46 HN TYR 46 1.727 4.655 -7.926 343 HA TYR 46 HA TYR 46 2.666 4.589 -5.094 344 1HB TYR 46 HB2 TYR 46 3.319 2.689 -6.389 345 2HB TYR 46 HB1 TYR 46 3.729 3.678 -7.784 346 HD1 TYR 46 HD1 TYR 46 4.843 2.531 -4.449 347 HD2 TYR 46 HD2 TYR 46 5.846 4.857 -7.919 348 HE1 TYR 46 HE1 TYR 46 7.205 2.607 -3.713 349 HE2 TYR 46 HE2 TYR 46 8.210 4.938 -7.180 350 HH TYR 46 HH TYR 46 9.663 3.154 -5.494 351 H ASP 47 HN ASP 47 3.731 6.362 -4.305 352 HA ASP 47 HA ASP 47 4.484 8.549 -6.192 353 1HB ASP 47 HB2 ASP 47 3.923 8.362 -3.219 354 2HB ASP 47 HB1 ASP 47 4.533 9.832 -3.980 355 H ASP 48 HN ASP 48 6.605 8.368 -6.808 356 HA ASP 48 HA ASP 48 8.644 6.975 -5.335 357 1HB ASP 48 HB2 ASP 48 10.116 8.015 -7.049 358 2HB ASP 48 HB1 ASP 48 8.653 7.342 -7.768 359 H ALA 49 HN ALA 49 7.452 10.264 -5.186 360 HA ALA 49 HA ALA 49 9.631 11.686 -4.146 361 1HB ALA 49 HB1 ALA 49 7.741 12.957 -4.591 362 2HB ALA 49 HB2 ALA 49 7.616 12.831 -2.836 363 3HB ALA 49 HB3 ALA 49 6.653 11.773 -3.867 364 H THR 50 HN THR 50 7.369 9.532 -2.437 365 HA THR 50 HA THR 50 9.296 9.405 -0.160 366 HB THR 50 HB THR 50 7.377 9.733 1.393 367 HG1 THR 50 HG1 THR 50 5.759 9.029 -0.055 368 1HG2 THR 50 HG21 THR 50 7.161 12.115 1.073 369 2HG2 THR 50 HG22 THR 50 7.552 11.969 -0.641 370 3HG2 THR 50 HG23 THR 50 8.789 11.654 0.577 371 H LYS 51 HN LYS 51 7.931 7.616 -2.447 372 HA LYS 51 HA LYS 51 7.224 5.371 -2.649 373 1HB LYS 51 HB2 LYS 51 9.314 5.663 -0.657 374 2HB LYS 51 HB1 LYS 51 8.276 4.299 -0.244 375 1HG LYS 51 HG2 LYS 51 9.705 3.220 -1.688 376 2HG LYS 51 HG1 LYS 51 8.535 3.818 -2.867 377 1HD LYS 51 HD2 LYS 51 9.956 5.450 -3.659 378 2HD LYS 51 HD1 LYS 51 10.764 5.649 -2.104 379 1HE LYS 51 HE2 LYS 51 11.964 3.525 -2.422 380 2HE LYS 51 HE1 LYS 51 11.119 3.267 -3.962 381 1HZ LYS 51 HZ1 LYS 51 12.851 5.587 -3.284 382 2HZ LYS 51 HZ2 LYS 51 11.985 5.405 -4.734 383 3HZ LYS 51 HZ3 LYS 51 13.246 4.332 -4.354 384 H THR 52 HN THR 52 4.924 5.849 -2.302 385 HA THR 52 HA THR 52 3.913 4.658 0.226 386 HB THR 52 HB THR 52 3.148 7.409 -0.802 387 HG1 THR 52 HG1 THR 52 4.272 8.132 0.994 388 1HG2 THR 52 HG21 THR 52 1.873 7.569 1.297 389 2HG2 THR 52 HG22 THR 52 2.353 5.925 1.720 390 3HG2 THR 52 HG23 THR 52 1.306 6.208 0.329 391 H PHE 53 HN PHE 53 2.761 2.990 -0.761 392 HA PHE 53 HA PHE 53 1.367 3.148 -3.270 393 1HB PHE 53 HB2 PHE 53 1.094 1.412 -0.795 394 2HB PHE 53 HB1 PHE 53 0.188 1.105 -2.276 395 HD1 PHE 53 HD1 PHE 53 1.323 0.397 -4.330 396 HD2 PHE 53 HD2 PHE 53 3.509 1.072 -0.696 397 HE1 PHE 53 HE1 PHE 53 3.277 -0.794 -5.285 398 HE2 PHE 53 HE2 PHE 53 5.464 -0.121 -1.646 399 HZ PHE 53 HZ PHE 53 5.347 -1.055 -3.945 400 H THR 54 HN THR 54 -0.493 4.323 -3.692 401 HA THR 54 HA THR 54 -2.203 5.067 -1.329 402 HB THR 54 HB THR 54 -1.718 6.484 -3.963 403 HG1 THR 54 HG1 THR 54 -0.787 7.036 -1.345 404 1HG2 THR 54 HG21 THR 54 -3.159 8.129 -3.285 405 2HG2 THR 54 HG22 THR 54 -2.798 7.885 -1.577 406 3HG2 THR 54 HG23 THR 54 -3.904 6.793 -2.408 407 H VAL 55 HN VAL 55 -3.939 3.587 -1.393 408 HA VAL 55 HA VAL 55 -5.361 3.272 -3.970 409 HB VAL 55 HB VAL 55 -4.596 1.189 -2.779 410 1HG1 VAL 55 HG11 VAL 55 -4.995 2.184 -0.470 411 2HG1 VAL 55 HG12 VAL 55 -5.575 0.530 -0.706 412 3HG1 VAL 55 HG13 VAL 55 -6.711 1.889 -0.760 413 1HG2 VAL 55 HG21 VAL 55 -7.601 1.493 -2.852 414 2HG2 VAL 55 HG22 VAL 55 -6.685 0.000 -3.034 415 3HG2 VAL 55 HG23 VAL 55 -6.599 1.243 -4.282 416 H THR 56 HN THR 56 -7.775 3.246 -3.757 417 HA THR 56 HA THR 56 -9.038 4.555 -1.465 418 HB THR 56 HB THR 56 -8.610 5.941 -4.129 419 HG1 THR 56 HG1 THR 56 -7.089 6.956 -3.127 420 1HG2 THR 56 HG21 THR 56 -10.623 6.897 -3.657 421 2HG2 THR 56 HG22 THR 56 -9.711 7.819 -2.462 422 3HG2 THR 56 HG23 THR 56 -10.584 6.366 -1.975 423 H GLU 57 HN GLU 57 -10.927 3.341 -1.424 424 HA GLU 57 HA GLU 57 -12.224 2.666 -4.045 425 1HB GLU 57 HB2 GLU 57 -13.182 0.753 -2.765 426 2HB GLU 57 HB1 GLU 57 -11.420 0.750 -2.737 427 1HG GLU 57 HG2 GLU 57 -11.319 1.230 -0.498 428 2HG GLU 57 HG1 GLU 57 -12.764 2.238 -0.542 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -17.513 2.967 3.774 2 2H MET 1 HT2 MET 1 -16.529 1.820 4.550 3 3H MET 1 HT3 MET 1 -17.538 1.349 3.267 4 HA MET 1 HA MET 1 -16.243 2.733 1.730 5 1HB MET 1 HB2 MET 1 -15.147 3.478 4.392 6 2HB MET 1 HB1 MET 1 -13.979 3.390 3.073 7 1HG MET 1 HG2 MET 1 -15.285 4.950 1.743 8 2HG MET 1 HG1 MET 1 -16.573 4.954 2.947 9 1HE MET 1 HE1 MET 1 -13.522 6.142 1.588 10 2HE MET 1 HE2 MET 1 -12.933 7.452 2.608 11 3HE MET 1 HE3 MET 1 -14.475 7.621 1.772 12 H THR 2 HN THR 2 -13.890 2.040 1.066 13 HA THR 2 HA THR 2 -13.629 -0.873 1.643 14 HB THR 2 HB THR 2 -12.437 0.920 -0.498 15 HG1 THR 2 HG1 THR 2 -14.696 0.706 -0.627 16 1HG2 THR 2 HG21 THR 2 -11.100 -1.102 -0.096 17 2HG2 THR 2 HG22 THR 2 -11.945 -1.216 -1.643 18 3HG2 THR 2 HG23 THR 2 -12.550 -2.097 -0.241 19 H THR 3 HN THR 3 -12.214 -1.273 3.299 20 HA THR 3 HA THR 3 -9.985 0.530 3.860 21 HB THR 3 HB THR 3 -11.376 -0.379 5.662 22 HG1 THR 3 HG1 THR 3 -9.225 -0.013 6.163 23 1HG2 THR 3 HG21 THR 3 -11.225 -2.765 4.149 24 2HG2 THR 3 HG22 THR 3 -12.066 -2.520 5.679 25 3HG2 THR 3 HG23 THR 3 -10.399 -3.095 5.672 26 H PHE 4 HN PHE 4 -8.305 0.264 2.399 27 HA PHE 4 HA PHE 4 -7.522 -2.416 1.441 28 1HB PHE 4 HB2 PHE 4 -6.560 0.421 1.010 29 2HB PHE 4 HB1 PHE 4 -5.787 -0.966 0.247 30 HD1 PHE 4 HD1 PHE 4 -8.746 1.181 0.360 31 HD2 PHE 4 HD2 PHE 4 -6.996 -2.306 -1.433 32 HE1 PHE 4 HE1 PHE 4 -10.467 1.235 -1.418 33 HE2 PHE 4 HE2 PHE 4 -8.721 -2.254 -3.215 34 HZ PHE 4 HZ PHE 4 -10.454 -0.481 -3.207 35 H LYS 5 HN LYS 5 -4.986 -2.766 1.492 36 HA LYS 5 HA LYS 5 -3.769 -1.839 4.047 37 1HB LYS 5 HB2 LYS 5 -5.118 -3.945 4.402 38 2HB LYS 5 HB1 LYS 5 -4.040 -4.758 3.266 39 1HG LYS 5 HG2 LYS 5 -2.141 -3.808 4.807 40 2HG LYS 5 HG1 LYS 5 -3.432 -3.671 6.001 41 1HD LYS 5 HD2 LYS 5 -3.128 -6.243 4.491 42 2HD LYS 5 HD1 LYS 5 -2.023 -5.899 5.823 43 1HE LYS 5 HE2 LYS 5 -4.033 -5.448 7.285 44 2HE LYS 5 HE1 LYS 5 -5.053 -6.035 5.956 45 1HZ LYS 5 HZ1 LYS 5 -2.845 -7.525 7.275 46 2HZ LYS 5 HZ2 LYS 5 -3.703 -8.072 5.915 47 3HZ LYS 5 HZ3 LYS 5 -4.501 -7.868 7.401 48 H LEU 6 HN LEU 6 -1.807 -1.064 3.372 49 HA LEU 6 HA LEU 6 -0.472 -2.248 1.003 50 1HB LEU 6 HB2 LEU 6 -0.688 0.176 1.148 51 2HB LEU 6 HB1 LEU 6 0.041 0.182 2.751 52 HG LEU 6 HG LEU 6 2.139 -0.773 1.719 53 1HD1 LEU 6 HD11 LEU 6 1.350 -1.766 -0.291 54 2HD1 LEU 6 HD12 LEU 6 2.281 -0.363 -0.814 55 3HD1 LEU 6 HD13 LEU 6 0.517 -0.293 -0.784 56 1HD2 LEU 6 HD21 LEU 6 1.004 1.923 1.142 57 2HD2 LEU 6 HD22 LEU 6 2.493 1.484 0.305 58 3HD2 LEU 6 HD23 LEU 6 2.441 1.483 2.069 59 H ILE 7 HN ILE 7 1.056 -3.829 1.308 60 HA ILE 7 HA ILE 7 2.057 -4.528 3.942 61 HB ILE 7 HB ILE 7 1.676 -5.882 1.673 62 1HG1 ILE 7 HG12 ILE 7 3.346 -7.575 2.504 63 2HG1 ILE 7 HG11 ILE 7 3.914 -6.365 3.653 64 1HG2 ILE 7 HG21 ILE 7 3.473 -4.494 0.492 65 2HG2 ILE 7 HG22 ILE 7 3.611 -6.245 0.339 66 3HG2 ILE 7 HG23 ILE 7 4.649 -5.374 1.468 67 1HD1 ILE 7 HD11 ILE 7 2.114 -8.030 4.474 68 2HD1 ILE 7 HD12 ILE 7 0.994 -7.103 3.475 69 3HD1 ILE 7 HD13 ILE 7 1.848 -6.318 4.804 70 H ILE 8 HN ILE 8 4.601 -4.603 4.241 71 HA ILE 8 HA ILE 8 5.806 -2.119 3.074 72 HB ILE 8 HB ILE 8 5.855 -3.077 5.955 73 1HG1 ILE 8 HG12 ILE 8 4.555 -0.619 4.744 74 2HG1 ILE 8 HG11 ILE 8 3.683 -2.100 5.142 75 1HG2 ILE 8 HG21 ILE 8 7.257 -1.295 6.468 76 2HG2 ILE 8 HG22 ILE 8 6.776 -0.372 5.045 77 3HG2 ILE 8 HG23 ILE 8 7.874 -1.742 4.879 78 1HD1 ILE 8 HD11 ILE 8 5.159 -0.275 7.055 79 2HD1 ILE 8 HD12 ILE 8 4.546 -1.866 7.507 80 3HD1 ILE 8 HD13 ILE 8 3.426 -0.597 7.009 81 H ASN 9 HN ASN 9 6.741 -3.986 1.671 82 HA ASN 9 HA ASN 9 8.924 -5.482 3.034 83 1HB ASN 9 HB2 ASN 9 7.218 -5.763 0.676 84 2HB ASN 9 HB1 ASN 9 8.914 -6.034 0.281 85 1HD2 ASN 9 HD21 ASN 9 6.272 -7.772 1.061 86 2HD2 ASN 9 HD22 ASN 9 6.973 -9.020 1.973 87 H GLY 10 HN GLY 10 9.348 -2.762 3.063 88 1HA GLY 10 HA2 GLY 10 11.265 -2.239 0.834 89 2HA GLY 10 HA1 GLY 10 10.498 -0.986 1.813 90 H LYS 11 HN LYS 11 13.305 -1.182 1.439 91 HA LYS 11 HA LYS 11 14.557 -2.446 3.747 92 1HB LYS 11 HB2 LYS 11 15.543 -1.909 1.452 93 2HB LYS 11 HB1 LYS 11 15.622 -0.229 1.983 94 1HG LYS 11 HG2 LYS 11 16.835 -1.258 4.085 95 2HG LYS 11 HG1 LYS 11 17.150 -2.607 2.993 96 1HD LYS 11 HD2 LYS 11 17.726 0.223 2.135 97 2HD LYS 11 HD1 LYS 11 18.895 -0.680 3.099 98 1HE LYS 11 HE2 LYS 11 18.478 -2.565 1.283 99 2HE LYS 11 HE1 LYS 11 17.976 -1.184 0.287 100 1HZ LYS 11 HZ1 LYS 11 20.371 -1.543 0.135 101 2HZ LYS 11 HZ2 LYS 11 20.517 -1.375 1.820 102 3HZ LYS 11 HZ3 LYS 11 20.028 -0.054 0.871 103 H THR 12 HN THR 12 12.657 0.367 3.442 104 HA THR 12 HA THR 12 14.106 1.818 5.591 105 HB THR 12 HB THR 12 13.454 2.992 3.525 106 HG1 THR 12 HG1 THR 12 12.519 4.713 4.553 107 1HG2 THR 12 HG21 THR 12 10.698 2.048 4.312 108 2HG2 THR 12 HG22 THR 12 11.527 1.831 2.772 109 3HG2 THR 12 HG23 THR 12 10.942 3.425 3.242 110 H LEU 13 HN LEU 13 11.145 0.013 4.976 111 HA LEU 13 HA LEU 13 10.486 0.228 7.883 112 1HB LEU 13 HB2 LEU 13 8.868 1.084 5.503 113 2HB LEU 13 HB1 LEU 13 8.030 0.475 6.931 114 HG LEU 13 HG LEU 13 10.132 2.641 7.098 115 1HD1 LEU 13 HD11 LEU 13 7.162 3.147 7.132 116 2HD1 LEU 13 HD12 LEU 13 8.062 3.165 5.616 117 3HD1 LEU 13 HD13 LEU 13 8.474 4.302 6.900 118 1HD2 LEU 13 HD21 LEU 13 7.822 2.267 8.969 119 2HD2 LEU 13 HD22 LEU 13 9.443 2.875 9.303 120 3HD2 LEU 13 HD23 LEU 13 9.179 1.146 9.080 121 H LYS 14 HN LYS 14 8.888 -1.464 8.532 122 HA LYS 14 HA LYS 14 8.570 -3.739 6.643 123 1HB LYS 14 HB2 LYS 14 10.730 -3.610 8.292 124 2HB LYS 14 HB1 LYS 14 9.575 -4.416 9.353 125 1HG LYS 14 HG2 LYS 14 9.106 -5.885 7.204 126 2HG LYS 14 HG1 LYS 14 10.724 -5.349 6.747 127 1HD LYS 14 HD2 LYS 14 11.741 -6.507 8.455 128 2HD LYS 14 HD1 LYS 14 10.358 -6.336 9.536 129 1HE LYS 14 HE2 LYS 14 9.146 -8.081 8.412 130 2HE LYS 14 HE1 LYS 14 10.314 -8.112 7.075 131 1HZ LYS 14 HZ1 LYS 14 10.869 -8.767 9.921 132 2HZ LYS 14 HZ2 LYS 14 12.050 -8.672 8.703 133 3HZ LYS 14 HZ3 LYS 14 10.841 -9.863 8.626 134 H GLY 15 HN GLY 15 6.565 -4.659 6.939 135 1HA GLY 15 HA2 GLY 15 5.090 -5.579 8.877 136 2HA GLY 15 HA1 GLY 15 5.037 -3.889 9.378 137 H GLU 16 HN GLU 16 2.994 -3.200 8.899 138 HA GLU 16 HA GLU 16 2.155 -3.076 6.090 139 1HB GLU 16 HB2 GLU 16 0.089 -4.404 6.496 140 2HB GLU 16 HB1 GLU 16 1.545 -5.371 6.726 141 1HG GLU 16 HG2 GLU 16 1.162 -4.345 9.248 142 2HG GLU 16 HG1 GLU 16 -0.498 -4.551 8.692 143 H THR 17 HN THR 17 0.202 -1.733 5.847 144 HA THR 17 HA THR 17 -0.624 -0.241 8.307 145 HB THR 17 HB THR 17 0.220 0.967 5.652 146 HG1 THR 17 HG1 THR 17 1.983 1.731 6.990 147 1HG2 THR 17 HG21 THR 17 -0.655 2.140 8.298 148 2HG2 THR 17 HG22 THR 17 -1.386 2.388 6.713 149 3HG2 THR 17 HG23 THR 17 0.197 3.079 7.072 150 H THR 18 HN THR 18 -2.644 1.053 7.884 151 HA THR 18 HA THR 18 -4.286 -0.023 5.619 152 HB THR 18 HB THR 18 -6.146 -0.176 7.343 153 HG1 THR 18 HG1 THR 18 -5.725 0.411 9.306 154 1HG2 THR 18 HG21 THR 18 -5.294 -2.282 8.325 155 2HG2 THR 18 HG22 THR 18 -3.664 -1.852 7.807 156 3HG2 THR 18 HG23 THR 18 -4.916 -2.168 6.606 157 H THR 19 HN THR 19 -6.329 1.345 5.355 158 HA THR 19 HA THR 19 -6.346 4.045 6.482 159 HB THR 19 HB THR 19 -4.500 4.179 4.856 160 HG1 THR 19 HG1 THR 19 -6.814 5.403 3.779 161 1HG2 THR 19 HG21 THR 19 -4.740 3.620 2.560 162 2HG2 THR 19 HG22 THR 19 -6.495 3.508 2.690 163 3HG2 THR 19 HG23 THR 19 -5.475 2.274 3.431 164 H GLU 20 HN GLU 20 -8.136 5.364 5.389 165 HA GLU 20 HA GLU 20 -10.395 3.544 4.688 166 1HB GLU 20 HB2 GLU 20 -10.221 6.428 5.622 167 2HB GLU 20 HB1 GLU 20 -11.732 5.566 5.323 168 1HG GLU 20 HG2 GLU 20 -11.025 3.846 6.999 169 2HG GLU 20 HG1 GLU 20 -9.611 4.837 7.363 170 H ALA 21 HN ALA 21 -10.761 3.355 2.517 171 HA ALA 21 HA ALA 21 -10.728 5.814 0.830 172 1HB ALA 21 HB1 ALA 21 -8.602 4.091 0.929 173 2HB ALA 21 HB2 ALA 21 -9.013 5.060 -0.485 174 3HB ALA 21 HB3 ALA 21 -9.547 3.382 -0.381 175 H VAL 22 HN VAL 22 -12.307 5.737 -0.805 176 HA VAL 22 HA VAL 22 -14.526 3.999 -0.589 177 HB VAL 22 HB VAL 22 -15.120 5.001 -2.771 178 1HG1 VAL 22 HG11 VAL 22 -13.776 7.247 -1.365 179 2HG1 VAL 22 HG12 VAL 22 -14.921 6.283 -0.431 180 3HG1 VAL 22 HG13 VAL 22 -15.449 7.099 -1.903 181 1HG2 VAL 22 HG21 VAL 22 -13.348 6.709 -3.642 182 2HG2 VAL 22 HG22 VAL 22 -13.163 5.008 -4.067 183 3HG2 VAL 22 HG23 VAL 22 -12.196 5.702 -2.768 184 H ASP 23 HN ASP 23 -11.628 3.797 -2.625 185 HA ASP 23 HA ASP 23 -11.818 0.924 -2.898 186 1HB ASP 23 HB2 ASP 23 -13.613 2.141 -4.452 187 2HB ASP 23 HB1 ASP 23 -12.216 2.326 -5.513 188 H ALA 24 HN ALA 24 -10.285 0.411 -5.050 189 HA ALA 24 HA ALA 24 -7.659 1.116 -4.366 190 1HB ALA 24 HB1 ALA 24 -7.429 0.555 -6.992 191 2HB ALA 24 HB2 ALA 24 -9.087 0.013 -6.731 192 3HB ALA 24 HB3 ALA 24 -7.771 -0.688 -5.788 193 H ALA 25 HN ALA 25 -9.991 2.951 -6.215 194 HA ALA 25 HA ALA 25 -8.292 4.638 -7.749 195 1HB ALA 25 HB1 ALA 25 -10.245 5.980 -7.965 196 2HB ALA 25 HB2 ALA 25 -10.840 5.507 -6.373 197 3HB ALA 25 HB3 ALA 25 -10.857 4.347 -7.701 198 H THR 26 HN THR 26 -9.288 4.861 -4.341 199 HA THR 26 HA THR 26 -7.631 7.334 -4.033 200 HB THR 26 HB THR 26 -9.630 6.076 -2.134 201 HG1 THR 26 HG1 THR 26 -11.054 7.652 -3.047 202 1HG2 THR 26 HG21 THR 26 -8.004 7.772 -1.241 203 2HG2 THR 26 HG22 THR 26 -9.691 8.272 -1.123 204 3HG2 THR 26 HG23 THR 26 -8.663 8.933 -2.394 205 H ALA 27 HN ALA 27 -7.895 3.978 -3.045 206 HA ALA 27 HA ALA 27 -6.310 3.953 -0.692 207 1HB ALA 27 HB1 ALA 27 -6.217 1.834 -2.839 208 2HB ALA 27 HB2 ALA 27 -7.687 2.126 -1.912 209 3HB ALA 27 HB3 ALA 27 -6.212 1.619 -1.088 210 H GLU 28 HN GLU 28 -5.170 3.137 -3.996 211 HA GLU 28 HA GLU 28 -2.387 3.084 -3.425 212 1HB GLU 28 HB2 GLU 28 -3.774 2.388 -5.505 213 2HB GLU 28 HB1 GLU 28 -3.589 4.067 -6.018 214 1HG GLU 28 HG2 GLU 28 -1.205 3.888 -6.070 215 2HG GLU 28 HG1 GLU 28 -1.235 2.343 -5.221 216 H LYS 29 HN LYS 29 -4.454 5.831 -4.408 217 HA LYS 29 HA LYS 29 -2.429 7.790 -4.784 218 1HB LYS 29 HB2 LYS 29 -5.276 7.937 -3.749 219 2HB LYS 29 HB1 LYS 29 -4.331 9.360 -4.187 220 1HG LYS 29 HG2 LYS 29 -3.943 8.153 -6.448 221 2HG LYS 29 HG1 LYS 29 -5.299 7.130 -5.970 222 1HD LYS 29 HD2 LYS 29 -6.691 9.168 -5.652 223 2HD LYS 29 HD1 LYS 29 -5.342 10.152 -6.222 224 1HE LYS 29 HE2 LYS 29 -5.453 8.419 -8.274 225 2HE LYS 29 HE1 LYS 29 -7.154 8.357 -7.770 226 1HZ LYS 29 HZ1 LYS 29 -5.623 10.870 -8.177 227 2HZ LYS 29 HZ2 LYS 29 -7.283 10.730 -7.844 228 3HZ LYS 29 HZ3 LYS 29 -6.665 10.199 -9.335 229 H VAL 30 HN VAL 30 -4.038 6.676 -1.822 230 HA VAL 30 HA VAL 30 -2.641 8.612 -0.106 231 HB VAL 30 HB VAL 30 -4.372 6.166 0.413 232 1HG1 VAL 30 HG11 VAL 30 -3.102 6.531 2.407 233 2HG1 VAL 30 HG12 VAL 30 -4.666 7.299 2.687 234 3HG1 VAL 30 HG13 VAL 30 -3.263 8.283 2.271 235 1HG2 VAL 30 HG21 VAL 30 -6.192 7.572 0.369 236 2HG2 VAL 30 HG22 VAL 30 -5.156 8.464 -0.746 237 3HG2 VAL 30 HG23 VAL 30 -5.266 8.959 0.943 238 H PHE 31 HN PHE 31 -2.553 5.059 -0.592 239 HA PHE 31 HA PHE 31 -0.384 4.550 1.209 240 1HB PHE 31 HB2 PHE 31 -1.731 3.166 -1.083 241 2HB PHE 31 HB1 PHE 31 -0.218 2.494 -0.476 242 HD1 PHE 31 HD1 PHE 31 -0.253 2.873 2.365 243 HD2 PHE 31 HD2 PHE 31 -3.539 1.955 -0.244 244 HE1 PHE 31 HE1 PHE 31 -1.469 1.840 4.261 245 HE2 PHE 31 HE2 PHE 31 -4.754 0.924 1.654 246 HZ PHE 31 HZ PHE 31 -3.721 0.868 3.907 247 H LYS 32 HN LYS 32 -0.468 5.495 -2.205 248 HA LYS 32 HA LYS 32 2.294 4.985 -2.810 249 1HB LYS 32 HB2 LYS 32 0.499 5.403 -4.475 250 2HB LYS 32 HB1 LYS 32 0.362 7.066 -3.900 251 1HG LYS 32 HG2 LYS 32 2.395 7.700 -4.822 252 2HG LYS 32 HG1 LYS 32 3.053 6.065 -4.756 253 1HD LYS 32 HD2 LYS 32 2.159 5.481 -6.774 254 2HD LYS 32 HD1 LYS 32 0.680 6.401 -6.499 255 1HE LYS 32 HE2 LYS 32 1.546 8.326 -7.428 256 2HE LYS 32 HE1 LYS 32 3.194 7.972 -6.871 257 1HZ LYS 32 HZ1 LYS 32 2.820 7.655 -9.317 258 2HZ LYS 32 HZ2 LYS 32 1.793 6.359 -8.929 259 3HZ LYS 32 HZ3 LYS 32 3.437 6.298 -8.507 260 H GLN 33 HN GLN 33 0.575 7.889 -1.648 261 HA GLN 33 HA GLN 33 2.827 9.642 -1.506 262 1HB GLN 33 HB2 GLN 33 0.422 10.284 -1.389 263 2HB GLN 33 HB1 GLN 33 0.320 9.527 0.201 264 1HG GLN 33 HG2 GLN 33 0.658 11.899 0.534 265 2HG GLN 33 HG1 GLN 33 2.157 11.075 0.969 266 1HE2 GLN 33 HE21 GLN 33 3.992 11.266 -0.525 267 2HE2 GLN 33 HE22 GLN 33 4.022 12.466 -1.725 268 H TYR 34 HN TYR 34 1.688 7.110 0.578 269 HA TYR 34 HA TYR 34 3.268 7.820 2.919 270 1HB TYR 34 HB2 TYR 34 1.342 6.533 3.331 271 2HB TYR 34 HB1 TYR 34 1.604 5.509 1.925 272 HD1 TYR 34 HD1 TYR 34 2.938 3.520 2.065 273 HD2 TYR 34 HD2 TYR 34 2.703 6.221 5.391 274 HE1 TYR 34 HE1 TYR 34 4.023 1.824 3.509 275 HE2 TYR 34 HE2 TYR 34 3.791 4.526 6.845 276 HH TYR 34 HH TYR 34 4.044 2.019 6.869 277 H ALA 35 HN ALA 35 3.568 5.256 0.423 278 HA ALA 35 HA ALA 35 6.123 4.272 1.232 279 1HB ALA 35 HB1 ALA 35 6.012 3.853 -1.477 280 2HB ALA 35 HB2 ALA 35 4.314 4.162 -1.108 281 3HB ALA 35 HB3 ALA 35 5.173 2.851 -0.290 282 H ASN 36 HN ASN 36 5.227 6.854 -1.054 283 HA ASN 36 HA ASN 36 7.767 7.425 -2.139 284 1HB ASN 36 HB2 ASN 36 5.538 8.306 -2.863 285 2HB ASN 36 HB1 ASN 36 5.535 9.356 -1.445 286 1HD2 ASN 36 HD21 ASN 36 7.539 8.601 -4.345 287 2HD2 ASN 36 HD22 ASN 36 8.157 10.173 -4.509 288 H ASP 37 HN ASP 37 6.186 8.905 0.715 289 HA ASP 37 HA ASP 37 8.327 10.643 1.458 290 1HB ASP 37 HB2 ASP 37 5.881 9.465 2.647 291 2HB ASP 37 HB1 ASP 37 7.090 10.001 3.814 292 H ASN 38 HN ASN 38 7.475 7.444 2.846 293 HA ASN 38 HA ASN 38 9.794 7.169 4.490 294 1HB ASN 38 HB2 ASN 38 7.990 5.141 3.128 295 2HB ASN 38 HB1 ASN 38 9.136 4.740 4.408 296 1HD2 ASN 38 HD21 ASN 38 5.917 5.591 3.882 297 2HD2 ASN 38 HD22 ASN 38 5.545 6.166 5.435 298 H GLY 39 HN GLY 39 9.142 5.926 1.195 299 1HA GLY 39 HA2 GLY 39 11.041 6.142 -0.443 300 2HA GLY 39 HA1 GLY 39 12.097 5.590 0.857 301 H ILE 40 HN ILE 40 9.104 4.501 -0.796 302 HA ILE 40 HA ILE 40 10.283 1.743 -0.827 303 HB ILE 40 HB ILE 40 7.429 2.661 -0.333 304 1HG1 ILE 40 HG12 ILE 40 9.410 1.167 1.418 305 2HG1 ILE 40 HG11 ILE 40 9.041 2.885 1.561 306 1HG2 ILE 40 HG21 ILE 40 6.933 0.646 -1.322 307 2HG2 ILE 40 HG22 ILE 40 7.448 -0.006 0.236 308 3HG2 ILE 40 HG23 ILE 40 8.577 0.036 -1.117 309 1HD1 ILE 40 HD11 ILE 40 6.912 2.498 2.404 310 2HD1 ILE 40 HD12 ILE 40 7.780 1.112 3.066 311 3HD1 ILE 40 HD13 ILE 40 6.778 0.921 1.627 312 H ASP 41 HN ASP 41 11.048 2.443 -3.016 313 HA ASP 41 HA ASP 41 8.933 2.733 -5.090 314 1HB ASP 41 HB2 ASP 41 11.365 3.913 -4.693 315 2HB ASP 41 HB1 ASP 41 11.816 2.607 -5.789 316 H GLY 42 HN GLY 42 8.989 0.229 -3.788 317 1HA GLY 42 HA2 GLY 42 10.600 -1.702 -5.219 318 2HA GLY 42 HA1 GLY 42 9.256 -2.062 -4.132 319 H GLU 43 HN GLU 43 8.136 -3.486 -5.384 320 HA GLU 43 HA GLU 43 7.115 -2.487 -7.977 321 1HB GLU 43 HB2 GLU 43 7.055 -4.843 -8.694 322 2HB GLU 43 HB1 GLU 43 8.675 -4.421 -8.148 323 1HG GLU 43 HG2 GLU 43 7.970 -5.356 -5.856 324 2HG GLU 43 HG1 GLU 43 6.582 -6.047 -6.694 325 H TRP 44 HN TRP 44 5.069 -1.811 -7.618 326 HA TRP 44 HA TRP 44 3.493 -2.773 -5.414 327 1HB TRP 44 HB2 TRP 44 3.145 -0.854 -7.690 328 2HB TRP 44 HB1 TRP 44 1.777 -1.256 -6.644 329 HD1 TRP 44 HD1 TRP 44 5.456 -0.122 -6.275 330 HE1 TRP 44 HE1 TRP 44 5.616 1.386 -4.187 331 HE3 TRP 44 HE3 TRP 44 0.629 -0.374 -4.628 332 HZ2 TRP 44 HZ2 TRP 44 3.927 2.327 -2.088 333 HZ3 TRP 44 HZ3 TRP 44 -0.068 0.841 -2.584 334 HH2 TRP 44 HH2 TRP 44 1.574 2.196 -1.314 335 H THR 45 HN THR 45 1.713 -4.039 -5.406 336 HA THR 45 HA THR 45 0.603 -5.163 -7.903 337 HB THR 45 HB THR 45 0.926 -7.482 -6.758 338 HG1 THR 45 HG1 THR 45 2.356 -7.574 -5.178 339 1HG2 THR 45 HG21 THR 45 3.575 -6.399 -7.573 340 2HG2 THR 45 HG22 THR 45 2.257 -6.242 -8.734 341 3HG2 THR 45 HG23 THR 45 2.725 -7.836 -8.140 342 H TYR 46 HN TYR 46 -1.580 -5.399 -7.598 343 HA TYR 46 HA TYR 46 -2.631 -5.019 -4.831 344 1HB TYR 46 HB2 TYR 46 -3.311 -3.352 -6.415 345 2HB TYR 46 HB1 TYR 46 -3.651 -4.557 -7.650 346 HD1 TYR 46 HD1 TYR 46 -5.811 -5.428 -7.906 347 HD2 TYR 46 HD2 TYR 46 -4.790 -3.378 -4.271 348 HE1 TYR 46 HE1 TYR 46 -8.184 -5.490 -7.202 349 HE2 TYR 46 HE2 TYR 46 -7.157 -3.441 -3.568 350 HH TYR 46 HH TYR 46 -9.557 -3.677 -5.230 351 H ASP 47 HN ASP 47 -3.156 -6.937 -3.864 352 HA ASP 47 HA ASP 47 -3.918 -9.308 -5.454 353 1HB ASP 47 HB2 ASP 47 -3.231 -8.638 -2.604 354 2HB ASP 47 HB1 ASP 47 -4.035 -10.167 -2.960 355 H ASP 48 HN ASP 48 -6.041 -9.504 -6.036 356 HA ASP 48 HA ASP 48 -8.193 -8.021 -4.780 357 1HB ASP 48 HB2 ASP 48 -8.001 -8.802 -7.181 358 2HB ASP 48 HB1 ASP 48 -8.329 -10.438 -6.606 359 H ALA 49 HN ALA 49 -6.664 -11.039 -4.027 360 HA ALA 49 HA ALA 49 -8.725 -12.614 -2.968 361 1HB ALA 49 HB1 ALA 49 -5.817 -12.226 -2.570 362 2HB ALA 49 HB2 ALA 49 -6.716 -13.708 -2.895 363 3HB ALA 49 HB3 ALA 49 -6.650 -13.058 -1.257 364 H THR 50 HN THR 50 -6.993 -9.900 -1.446 365 HA THR 50 HA THR 50 -9.200 -9.640 0.533 366 HB THR 50 HB THR 50 -7.525 -9.612 2.373 367 HG1 THR 50 HG1 THR 50 -5.727 -10.471 0.359 368 1HG2 THR 50 HG21 THR 50 -8.688 -11.736 1.584 369 2HG2 THR 50 HG22 THR 50 -7.184 -11.978 2.474 370 3HG2 THR 50 HG23 THR 50 -7.202 -12.120 0.715 371 H LYS 51 HN LYS 51 -7.785 -8.080 -1.797 372 HA LYS 51 HA LYS 51 -7.200 -5.842 -2.266 373 1HB LYS 51 HB2 LYS 51 -9.356 -5.989 -0.325 374 2HB LYS 51 HB1 LYS 51 -8.418 -4.516 -0.085 375 1HG LYS 51 HG2 LYS 51 -9.736 -3.689 -1.749 376 2HG LYS 51 HG1 LYS 51 -8.617 -4.550 -2.807 377 1HD LYS 51 HD2 LYS 51 -10.565 -5.508 -3.569 378 2HD LYS 51 HD1 LYS 51 -10.294 -6.579 -2.194 379 1HE LYS 51 HE2 LYS 51 -11.719 -4.065 -1.537 380 2HE LYS 51 HE1 LYS 51 -12.615 -5.198 -2.568 381 1HZ LYS 51 HZ1 LYS 51 -11.897 -6.985 -1.003 382 2HZ LYS 51 HZ2 LYS 51 -12.978 -5.861 -0.328 383 3HZ LYS 51 HZ3 LYS 51 -11.321 -5.777 0.040 384 H THR 52 HN THR 52 -4.911 -6.170 -1.762 385 HA THR 52 HA THR 52 -4.042 -4.566 0.581 386 HB THR 52 HB THR 52 -3.179 -7.424 0.025 387 HG1 THR 52 HG1 THR 52 -4.935 -7.784 1.110 388 1HG2 THR 52 HG21 THR 52 -1.530 -5.683 1.067 389 2HG2 THR 52 HG22 THR 52 -1.721 -7.252 1.848 390 3HG2 THR 52 HG23 THR 52 -2.547 -5.837 2.500 391 H PHE 53 HN PHE 53 -2.920 -3.040 -0.634 392 HA PHE 53 HA PHE 53 -1.475 -3.506 -3.059 393 1HB PHE 53 HB2 PHE 53 -1.224 -1.453 -0.835 394 2HB PHE 53 HB1 PHE 53 -0.365 -1.323 -2.370 395 HD1 PHE 53 HD1 PHE 53 -1.562 -0.896 -4.459 396 HD2 PHE 53 HD2 PHE 53 -3.655 -1.193 -0.721 397 HE1 PHE 53 HE1 PHE 53 -3.575 0.103 -5.507 398 HE2 PHE 53 HE2 PHE 53 -5.668 -0.193 -1.764 399 HZ PHE 53 HZ PHE 53 -5.627 0.455 -4.161 400 H THR 54 HN THR 54 0.459 -4.594 -3.345 401 HA THR 54 HA THR 54 2.135 -5.041 -0.888 402 HB THR 54 HB THR 54 1.744 -6.775 -3.339 403 HG1 THR 54 HG1 THR 54 0.289 -7.843 -2.159 404 1HG2 THR 54 HG21 THR 54 3.894 -6.866 -1.772 405 2HG2 THR 54 HG22 THR 54 3.129 -8.341 -2.359 406 3HG2 THR 54 HG23 THR 54 2.797 -7.766 -0.725 407 H VAL 55 HN VAL 55 3.763 -3.438 -1.162 408 HA VAL 55 HA VAL 55 5.235 -3.423 -3.722 409 HB VAL 55 HB VAL 55 4.424 -1.247 -2.758 410 1HG1 VAL 55 HG11 VAL 55 6.549 -1.627 -0.667 411 2HG1 VAL 55 HG12 VAL 55 4.857 -2.014 -0.346 412 3HG1 VAL 55 HG13 VAL 55 5.320 -0.356 -0.752 413 1HG2 VAL 55 HG21 VAL 55 6.470 -0.047 -3.150 414 2HG2 VAL 55 HG22 VAL 55 6.461 -1.445 -4.223 415 3HG2 VAL 55 HG23 VAL 55 7.435 -1.465 -2.753 416 H THR 56 HN THR 56 7.688 -3.296 -3.447 417 HA THR 56 HA THR 56 8.808 -4.525 -1.018 418 HB THR 56 HB THR 56 8.728 -5.892 -3.722 419 HG1 THR 56 HG1 THR 56 7.586 -6.680 -1.254 420 1HG2 THR 56 HG21 THR 56 10.266 -6.384 -1.218 421 2HG2 THR 56 HG22 THR 56 10.705 -6.723 -2.892 422 3HG2 THR 56 HG23 THR 56 9.599 -7.797 -2.037 423 H GLU 57 HN GLU 57 10.521 -3.089 -0.814 424 HA GLU 57 HA GLU 57 12.236 -2.620 -3.235 425 1HB GLU 57 HB2 GLU 57 10.840 -0.696 -2.318 426 2HB GLU 57 HB1 GLU 57 11.830 -0.782 -0.860 427 1HG GLU 57 HG2 GLU 57 13.256 -0.669 -3.478 428 2HG GLU 57 HG1 GLU 57 12.484 0.812 -2.910 Start of MODEL 18 1 1H MET 1 HT1 MET 1 17.792 -0.195 2.973 2 2H MET 1 HT2 MET 1 17.963 -0.377 1.293 3 3H MET 1 HT3 MET 1 18.448 -1.624 2.339 4 HA MET 1 HA MET 1 16.344 -2.223 1.344 5 1HB MET 1 HB2 MET 1 16.530 -1.435 4.250 6 2HB MET 1 HB1 MET 1 15.092 -2.249 3.632 7 1HG MET 1 HG2 MET 1 17.765 -3.402 2.947 8 2HG MET 1 HG1 MET 1 17.148 -3.644 4.581 9 1HE MET 1 HE1 MET 1 16.317 -5.632 5.112 10 2HE MET 1 HE2 MET 1 17.297 -6.372 3.849 11 3HE MET 1 HE3 MET 1 15.619 -6.868 4.056 12 H THR 2 HN THR 2 14.615 -1.364 0.277 13 HA THR 2 HA THR 2 13.924 1.464 0.536 14 HB THR 2 HB THR 2 12.590 -0.815 -0.963 15 HG1 THR 2 HG1 THR 2 14.035 -0.474 -2.504 16 1HG2 THR 2 HG21 THR 2 12.483 2.195 -1.244 17 2HG2 THR 2 HG22 THR 2 11.142 1.107 -0.883 18 3HG2 THR 2 HG23 THR 2 11.896 1.081 -2.479 19 H THR 3 HN THR 3 12.008 2.307 1.441 20 HA THR 3 HA THR 3 10.346 0.419 3.011 21 HB THR 3 HB THR 3 11.171 3.262 3.648 22 HG1 THR 3 HG1 THR 3 12.733 2.403 4.798 23 1HG2 THR 3 HG21 THR 3 8.938 2.364 4.544 24 2HG2 THR 3 HG22 THR 3 10.081 2.980 5.737 25 3HG2 THR 3 HG23 THR 3 9.906 1.242 5.500 26 H PHE 4 HN PHE 4 8.615 0.288 1.514 27 HA PHE 4 HA PHE 4 7.466 2.697 0.295 28 1HB PHE 4 HB2 PHE 4 6.619 -0.213 0.443 29 2HB PHE 4 HB1 PHE 4 5.837 0.996 -0.571 30 HD1 PHE 4 HD1 PHE 4 6.972 1.921 -2.531 31 HD2 PHE 4 HD2 PHE 4 8.864 -1.024 -0.042 32 HE1 PHE 4 HE1 PHE 4 8.681 1.533 -4.287 33 HE2 PHE 4 HE2 PHE 4 10.573 -1.410 -1.796 34 HZ PHE 4 HZ PHE 4 10.480 -0.131 -3.919 35 H LYS 5 HN LYS 5 4.940 2.887 0.545 36 HA LYS 5 HA LYS 5 3.967 2.262 3.280 37 1HB LYS 5 HB2 LYS 5 5.317 4.431 3.237 38 2HB LYS 5 HB1 LYS 5 4.048 5.093 2.206 39 1HG LYS 5 HG2 LYS 5 2.513 5.175 3.912 40 2HG LYS 5 HG1 LYS 5 3.167 3.744 4.709 41 1HD LYS 5 HD2 LYS 5 3.779 5.496 6.162 42 2HD LYS 5 HD1 LYS 5 5.237 5.237 5.203 43 1HE LYS 5 HE2 LYS 5 4.906 7.186 3.933 44 2HE LYS 5 HE1 LYS 5 3.170 7.239 4.295 45 1HZ LYS 5 HZ1 LYS 5 4.290 8.843 5.667 46 2HZ LYS 5 HZ2 LYS 5 5.398 7.677 6.213 47 3HZ LYS 5 HZ3 LYS 5 3.761 7.569 6.654 48 H LEU 6 HN LEU 6 1.834 1.681 3.093 49 HA LEU 6 HA LEU 6 0.357 2.475 0.620 50 1HB LEU 6 HB2 LEU 6 0.636 0.079 1.060 51 2HB LEU 6 HB1 LEU 6 -0.051 0.273 2.672 52 HG LEU 6 HG LEU 6 -2.167 1.122 1.569 53 1HD1 LEU 6 HD11 LEU 6 -2.379 0.360 -0.875 54 2HD1 LEU 6 HD12 LEU 6 -0.616 0.263 -0.877 55 3HD1 LEU 6 HD13 LEU 6 -1.413 1.807 -0.579 56 1HD2 LEU 6 HD21 LEU 6 -1.080 -1.648 1.347 57 2HD2 LEU 6 HD22 LEU 6 -2.592 -1.304 0.507 58 3HD2 LEU 6 HD23 LEU 6 -2.476 -1.058 2.251 59 H ILE 7 HN ILE 7 -1.227 4.008 0.834 60 HA ILE 7 HA ILE 7 -2.029 5.008 3.457 61 HB ILE 7 HB ILE 7 -1.768 6.129 1.046 62 1HG1 ILE 7 HG12 ILE 7 -3.627 7.800 1.845 63 2HG1 ILE 7 HG11 ILE 7 -3.651 6.777 3.280 64 1HG2 ILE 7 HG21 ILE 7 -4.743 5.578 1.079 65 2HG2 ILE 7 HG22 ILE 7 -3.607 4.694 0.062 66 3HG2 ILE 7 HG23 ILE 7 -3.822 6.430 -0.159 67 1HD1 ILE 7 HD11 ILE 7 -1.041 7.791 2.176 68 2HD1 ILE 7 HD12 ILE 7 -1.414 7.257 3.815 69 3HD1 ILE 7 HD13 ILE 7 -2.019 8.808 3.234 70 H ILE 8 HN ILE 8 -4.550 5.129 3.901 71 HA ILE 8 HA ILE 8 -5.819 2.554 3.033 72 HB ILE 8 HB ILE 8 -5.780 3.805 5.800 73 1HG1 ILE 8 HG12 ILE 8 -4.496 1.229 4.847 74 2HG1 ILE 8 HG11 ILE 8 -3.619 2.752 4.993 75 1HG2 ILE 8 HG21 ILE 8 -6.757 1.052 5.041 76 2HG2 ILE 8 HG22 ILE 8 -7.837 2.446 5.039 77 3HG2 ILE 8 HG23 ILE 8 -7.048 1.943 6.534 78 1HD1 ILE 8 HD11 ILE 8 -4.558 2.793 7.422 79 2HD1 ILE 8 HD12 ILE 8 -3.209 1.716 7.062 80 3HD1 ILE 8 HD13 ILE 8 -4.847 1.072 7.169 81 H ASN 9 HN ASN 9 -6.856 4.197 1.474 82 HA ASN 9 HA ASN 9 -8.958 5.869 2.767 83 1HB ASN 9 HB2 ASN 9 -7.351 5.913 0.333 84 2HB ASN 9 HB1 ASN 9 -9.064 6.082 -0.046 85 1HD2 ASN 9 HD21 ASN 9 -6.757 8.134 0.014 86 2HD2 ASN 9 HD22 ASN 9 -7.363 9.396 0.974 87 H GLY 10 HN GLY 10 -9.340 3.162 3.104 88 1HA GLY 10 HA2 GLY 10 -11.298 2.320 1.026 89 2HA GLY 10 HA1 GLY 10 -10.569 1.258 2.233 90 H LYS 11 HN LYS 11 -13.318 1.275 1.873 91 HA LYS 11 HA LYS 11 -14.564 3.001 3.904 92 1HB LYS 11 HB2 LYS 11 -16.599 1.769 3.192 93 2HB LYS 11 HB1 LYS 11 -15.703 2.387 1.807 94 1HG LYS 11 HG2 LYS 11 -15.291 0.306 1.015 95 2HG LYS 11 HG1 LYS 11 -14.809 -0.288 2.603 96 1HD LYS 11 HD2 LYS 11 -16.769 -1.523 1.983 97 2HD LYS 11 HD1 LYS 11 -17.281 -0.353 3.200 98 1HE LYS 11 HE2 LYS 11 -17.638 1.132 0.949 99 2HE LYS 11 HE1 LYS 11 -17.975 -0.493 0.318 100 1HZ LYS 11 HZ1 LYS 11 -19.377 -0.844 2.331 101 2HZ LYS 11 HZ2 LYS 11 -19.985 0.327 1.262 102 3HZ LYS 11 HZ3 LYS 11 -19.201 0.804 2.692 103 H THR 12 HN THR 12 -12.611 0.344 4.226 104 HA THR 12 HA THR 12 -14.208 -0.787 6.495 105 HB THR 12 HB THR 12 -11.929 -2.028 4.926 106 HG1 THR 12 HG1 THR 12 -13.355 -2.268 3.425 107 1HG2 THR 12 HG21 THR 12 -12.371 -3.976 6.082 108 2HG2 THR 12 HG22 THR 12 -14.063 -3.558 6.349 109 3HG2 THR 12 HG23 THR 12 -12.804 -2.798 7.321 110 H LEU 13 HN LEU 13 -11.129 0.643 5.526 111 HA LEU 13 HA LEU 13 -10.369 0.785 8.414 112 1HB LEU 13 HB2 LEU 13 -9.378 -1.136 6.764 113 2HB LEU 13 HB1 LEU 13 -8.208 0.151 6.482 114 HG LEU 13 HG LEU 13 -7.989 0.368 8.997 115 1HD1 LEU 13 HD11 LEU 13 -9.795 -2.033 8.791 116 2HD1 LEU 13 HD12 LEU 13 -9.919 -0.647 9.873 117 3HD1 LEU 13 HD13 LEU 13 -8.681 -1.872 10.148 118 1HD2 LEU 13 HD21 LEU 13 -6.293 -1.215 9.036 119 2HD2 LEU 13 HD22 LEU 13 -6.587 -1.130 7.299 120 3HD2 LEU 13 HD23 LEU 13 -7.282 -2.445 8.248 121 H LYS 14 HN LYS 14 -8.519 2.354 8.727 122 HA LYS 14 HA LYS 14 -8.078 4.314 6.554 123 1HB LYS 14 HB2 LYS 14 -10.250 4.646 8.109 124 2HB LYS 14 HB1 LYS 14 -9.051 5.423 9.144 125 1HG LYS 14 HG2 LYS 14 -8.330 6.597 6.882 126 2HG LYS 14 HG1 LYS 14 -9.984 6.208 6.408 127 1HD LYS 14 HD2 LYS 14 -10.913 7.646 7.943 128 2HD LYS 14 HD1 LYS 14 -9.600 7.426 9.100 129 1HE LYS 14 HE2 LYS 14 -8.890 8.751 6.522 130 2HE LYS 14 HE1 LYS 14 -9.849 9.695 7.679 131 1HZ LYS 14 HZ1 LYS 14 -7.398 8.174 8.386 132 2HZ LYS 14 HZ2 LYS 14 -8.282 9.209 9.403 133 3HZ LYS 14 HZ3 LYS 14 -7.423 9.842 8.081 134 H GLY 15 HN GLY 15 -6.124 5.444 6.856 135 1HA GLY 15 HA2 GLY 15 -4.612 6.356 8.757 136 2HA GLY 15 HA1 GLY 15 -4.554 4.671 9.273 137 H GLU 16 HN GLU 16 -2.372 4.277 8.868 138 HA GLU 16 HA GLU 16 -1.587 4.198 5.988 139 1HB GLU 16 HB2 GLU 16 -0.359 5.712 8.265 140 2HB GLU 16 HB1 GLU 16 0.710 5.053 7.028 141 1HG GLU 16 HG2 GLU 16 0.249 6.993 5.927 142 2HG GLU 16 HG1 GLU 16 -1.243 6.169 5.476 143 H THR 17 HN THR 17 0.564 2.935 5.801 144 HA THR 17 HA THR 17 1.111 1.015 7.979 145 HB THR 17 HB THR 17 0.115 0.112 5.258 146 HG1 THR 17 HG1 THR 17 -1.223 0.104 7.756 147 1HG2 THR 17 HG21 THR 17 1.416 -1.630 6.125 148 2HG2 THR 17 HG22 THR 17 -0.196 -2.035 6.715 149 3HG2 THR 17 HG23 THR 17 0.968 -1.263 7.791 150 H THR 18 HN THR 18 3.271 0.490 7.906 151 HA THR 18 HA THR 18 4.761 1.033 5.355 152 HB THR 18 HB THR 18 6.650 1.576 6.935 153 HG1 THR 18 HG1 THR 18 5.737 0.337 8.680 154 1HG2 THR 18 HG21 THR 18 5.897 3.760 7.330 155 2HG2 THR 18 HG22 THR 18 4.250 3.232 7.672 156 3HG2 THR 18 HG23 THR 18 4.851 3.226 6.014 157 H THR 19 HN THR 19 6.822 -0.291 5.206 158 HA THR 19 HA THR 19 7.069 -2.733 6.781 159 HB THR 19 HB THR 19 5.093 -3.245 5.403 160 HG1 THR 19 HG1 THR 19 6.226 -5.044 5.650 161 1HG2 THR 19 HG21 THR 19 5.065 -3.093 3.047 162 2HG2 THR 19 HG22 THR 19 6.821 -2.970 2.947 163 3HG2 THR 19 HG23 THR 19 5.875 -1.611 3.552 164 H GLU 20 HN GLU 20 8.855 -4.132 5.864 165 HA GLU 20 HA GLU 20 10.915 -2.420 4.553 166 1HB GLU 20 HB2 GLU 20 10.987 -3.888 6.806 167 2HB GLU 20 HB1 GLU 20 11.480 -5.134 5.659 168 1HG GLU 20 HG2 GLU 20 13.231 -3.568 4.790 169 2HG GLU 20 HG1 GLU 20 12.792 -2.431 6.066 170 H ALA 21 HN ALA 21 10.894 -2.663 2.343 171 HA ALA 21 HA ALA 21 10.850 -5.451 1.244 172 1HB ALA 21 HB1 ALA 21 8.762 -3.675 1.115 173 2HB ALA 21 HB2 ALA 21 9.045 -4.952 -0.067 174 3HB ALA 21 HB3 ALA 21 9.615 -3.313 -0.385 175 H VAL 22 HN VAL 22 12.368 -5.783 -0.385 176 HA VAL 22 HA VAL 22 14.571 -4.039 -0.726 177 HB VAL 22 HB VAL 22 15.093 -5.592 -2.588 178 1HG1 VAL 22 HG11 VAL 22 14.167 -6.525 0.079 179 2HG1 VAL 22 HG12 VAL 22 15.774 -6.603 -0.643 180 3HG1 VAL 22 HG13 VAL 22 14.535 -7.760 -1.125 181 1HG2 VAL 22 HG21 VAL 22 13.535 -7.274 -3.312 182 2HG2 VAL 22 HG22 VAL 22 12.695 -5.729 -3.404 183 3HG2 VAL 22 HG23 VAL 22 12.381 -6.822 -2.059 184 H ASP 23 HN ASP 23 11.496 -4.218 -2.437 185 HA ASP 23 HA ASP 23 11.814 -1.597 -3.605 186 1HB ASP 23 HB2 ASP 23 11.963 -2.390 -5.987 187 2HB ASP 23 HB1 ASP 23 13.402 -2.755 -5.039 188 H ALA 24 HN ALA 24 10.053 -1.482 -5.560 189 HA ALA 24 HA ALA 24 7.503 -1.851 -4.412 190 1HB ALA 24 HB1 ALA 24 7.474 -0.318 -6.120 191 2HB ALA 24 HB2 ALA 24 6.977 -1.721 -7.066 192 3HB ALA 24 HB3 ALA 24 8.664 -1.208 -7.068 193 H ALA 25 HN ALA 25 9.496 -4.091 -6.214 194 HA ALA 25 HA ALA 25 7.533 -5.908 -7.192 195 1HB ALA 25 HB1 ALA 25 10.178 -5.694 -7.391 196 2HB ALA 25 HB2 ALA 25 9.386 -7.254 -7.612 197 3HB ALA 25 HB3 ALA 25 10.146 -6.861 -6.070 198 H THR 26 HN THR 26 8.863 -5.451 -3.963 199 HA THR 26 HA THR 26 7.351 -7.833 -2.969 200 HB THR 26 HB THR 26 9.471 -6.123 -1.630 201 HG1 THR 26 HG1 THR 26 10.474 -7.086 -3.302 202 1HG2 THR 26 HG21 THR 26 7.810 -7.663 -0.315 203 2HG2 THR 26 HG22 THR 26 9.533 -7.743 0.051 204 3HG2 THR 26 HG23 THR 26 8.791 -8.973 -0.971 205 H ALA 27 HN ALA 27 7.621 -4.333 -2.739 206 HA ALA 27 HA ALA 27 6.105 -3.873 -0.362 207 1HB ALA 27 HB1 ALA 27 7.468 -2.377 -2.168 208 2HB ALA 27 HB2 ALA 27 6.330 -1.679 -1.016 209 3HB ALA 27 HB3 ALA 27 5.816 -2.017 -2.669 210 H GLU 28 HN GLU 28 4.975 -3.618 -3.758 211 HA GLU 28 HA GLU 28 2.186 -3.436 -3.173 212 1HB GLU 28 HB2 GLU 28 3.500 -2.990 -5.336 213 2HB GLU 28 HB1 GLU 28 3.433 -4.732 -5.610 214 1HG GLU 28 HG2 GLU 28 1.101 -4.739 -5.846 215 2HG GLU 28 HG1 GLU 28 0.915 -3.207 -4.991 216 H LYS 29 HN LYS 29 4.212 -6.296 -3.911 217 HA LYS 29 HA LYS 29 2.207 -8.292 -3.948 218 1HB LYS 29 HB2 LYS 29 4.673 -8.474 -4.477 219 2HB LYS 29 HB1 LYS 29 4.983 -8.496 -2.741 220 1HG LYS 29 HG2 LYS 29 3.137 -10.426 -2.814 221 2HG LYS 29 HG1 LYS 29 3.729 -10.584 -4.468 222 1HD LYS 29 HD2 LYS 29 6.097 -10.466 -3.278 223 2HD LYS 29 HD1 LYS 29 5.177 -11.036 -1.886 224 1HE LYS 29 HE2 LYS 29 4.207 -12.738 -3.740 225 2HE LYS 29 HE1 LYS 29 5.816 -12.449 -4.432 226 1HZ LYS 29 HZ1 LYS 29 5.975 -14.211 -2.825 227 2HZ LYS 29 HZ2 LYS 29 5.208 -13.266 -1.640 228 3HZ LYS 29 HZ3 LYS 29 6.754 -12.840 -2.200 229 H VAL 30 HN VAL 30 3.916 -6.855 -1.181 230 HA VAL 30 HA VAL 30 2.519 -8.522 0.794 231 HB VAL 30 HB VAL 30 4.329 -6.084 0.956 232 1HG1 VAL 30 HG11 VAL 30 3.164 -6.122 3.022 233 2HG1 VAL 30 HG12 VAL 30 4.666 -6.990 3.348 234 3HG1 VAL 30 HG13 VAL 30 3.169 -7.885 3.087 235 1HG2 VAL 30 HG21 VAL 30 5.077 -8.891 1.721 236 2HG2 VAL 30 HG22 VAL 30 6.113 -7.570 1.181 237 3HG2 VAL 30 HG23 VAL 30 5.097 -8.423 0.020 238 H PHE 31 HN PHE 31 2.515 -5.061 -0.125 239 HA PHE 31 HA PHE 31 0.447 -4.229 1.663 240 1HB PHE 31 HB2 PHE 31 1.679 -3.246 -0.891 241 2HB PHE 31 HB1 PHE 31 0.251 -2.423 -0.262 242 HD1 PHE 31 HD1 PHE 31 3.674 -2.209 -0.285 243 HD2 PHE 31 HD2 PHE 31 0.422 -2.280 2.517 244 HE1 PHE 31 HE1 PHE 31 5.080 -1.025 1.380 245 HE2 PHE 31 HE2 PHE 31 1.826 -1.092 4.180 246 HZ PHE 31 HZ PHE 31 4.157 -0.465 3.611 247 H LYS 32 HN LYS 32 0.323 -5.681 -1.565 248 HA LYS 32 HA LYS 32 -2.465 -5.173 -2.084 249 1HB LYS 32 HB2 LYS 32 -0.405 -7.176 -3.027 250 2HB LYS 32 HB1 LYS 32 -2.067 -7.246 -3.609 251 1HG LYS 32 HG2 LYS 32 -0.524 -4.660 -3.698 252 2HG LYS 32 HG1 LYS 32 -0.347 -5.858 -4.981 253 1HD LYS 32 HD2 LYS 32 -2.747 -5.804 -5.418 254 2HD LYS 32 HD1 LYS 32 -2.994 -4.694 -4.069 255 1HE LYS 32 HE2 LYS 32 -2.917 -3.230 -5.917 256 2HE LYS 32 HE1 LYS 32 -1.234 -3.198 -5.352 257 1HZ LYS 32 HZ1 LYS 32 -0.646 -4.879 -6.909 258 2HZ LYS 32 HZ2 LYS 32 -1.484 -3.679 -7.771 259 3HZ LYS 32 HZ3 LYS 32 -2.262 -5.132 -7.357 260 H GLN 33 HN GLN 33 -0.709 -7.894 -0.585 261 HA GLN 33 HA GLN 33 -2.962 -9.592 -0.111 262 1HB GLN 33 HB2 GLN 33 -0.479 -10.121 0.022 263 2HB GLN 33 HB1 GLN 33 -0.468 -9.293 1.580 264 1HG GLN 33 HG2 GLN 33 -0.906 -11.410 2.353 265 2HG GLN 33 HG1 GLN 33 -2.565 -10.938 1.984 266 1HE2 GLN 33 HE21 GLN 33 -3.603 -11.929 0.151 267 2HE2 GLN 33 HE22 GLN 33 -2.890 -13.198 -0.723 268 H TYR 34 HN TYR 34 -1.674 -6.839 1.582 269 HA TYR 34 HA TYR 34 -3.156 -7.152 4.052 270 1HB TYR 34 HB2 TYR 34 -1.234 -5.793 4.141 271 2HB TYR 34 HB1 TYR 34 -1.601 -5.002 2.614 272 HD1 TYR 34 HD1 TYR 34 -2.996 -3.049 2.524 273 HD2 TYR 34 HD2 TYR 34 -2.462 -5.178 6.210 274 HE1 TYR 34 HE1 TYR 34 -4.038 -1.166 3.752 275 HE2 TYR 34 HE2 TYR 34 -3.506 -3.296 7.450 276 HH TYR 34 HH TYR 34 -3.713 -0.536 6.755 277 H ALA 35 HN ALA 35 -3.638 -5.096 1.157 278 HA ALA 35 HA ALA 35 -6.199 -4.047 1.965 279 1HB ALA 35 HB1 ALA 35 -5.262 -2.773 0.296 280 2HB ALA 35 HB2 ALA 35 -6.179 -3.860 -0.747 281 3HB ALA 35 HB3 ALA 35 -4.466 -4.162 -0.450 282 H ASN 36 HN ASN 36 -5.224 -6.861 0.025 283 HA ASN 36 HA ASN 36 -7.724 -7.640 -1.016 284 1HB ASN 36 HB2 ASN 36 -5.344 -8.533 -1.418 285 2HB ASN 36 HB1 ASN 36 -5.606 -9.534 0.010 286 1HD2 ASN 36 HD21 ASN 36 -5.395 -10.294 -2.951 287 2HD2 ASN 36 HD22 ASN 36 -6.801 -11.195 -3.254 288 H ASP 37 HN ASP 37 -6.306 -8.243 2.180 289 HA ASP 37 HA ASP 37 -8.328 -10.099 3.096 290 1HB ASP 37 HB2 ASP 37 -5.883 -9.314 3.930 291 2HB ASP 37 HB1 ASP 37 -6.876 -8.321 4.999 292 H ASN 38 HN ASN 38 -7.909 -6.571 3.415 293 HA ASN 38 HA ASN 38 -10.356 -6.244 4.997 294 1HB ASN 38 HB2 ASN 38 -8.345 -4.419 3.660 295 2HB ASN 38 HB1 ASN 38 -9.751 -3.789 4.520 296 1HD2 ASN 38 HD21 ASN 38 -6.620 -5.341 4.928 297 2HD2 ASN 38 HD22 ASN 38 -6.601 -5.279 6.625 298 H GLY 39 HN GLY 39 -9.439 -6.082 1.606 299 1HA GLY 39 HA2 GLY 39 -11.031 -6.313 -0.194 300 2HA GLY 39 HA1 GLY 39 -12.298 -5.733 0.889 301 H ILE 40 HN ILE 40 -9.122 -4.242 0.369 302 HA ILE 40 HA ILE 40 -10.458 -1.680 -0.256 303 HB ILE 40 HB ILE 40 -7.580 -2.531 0.216 304 1HG1 ILE 40 HG12 ILE 40 -9.553 -0.961 1.910 305 2HG1 ILE 40 HG11 ILE 40 -9.138 -2.655 2.155 306 1HG2 ILE 40 HG21 ILE 40 -8.789 0.084 -0.597 307 2HG2 ILE 40 HG22 ILE 40 -7.204 -0.583 -0.992 308 3HG2 ILE 40 HG23 ILE 40 -7.494 0.122 0.598 309 1HD1 ILE 40 HD11 ILE 40 -7.772 -0.342 3.131 310 2HD1 ILE 40 HD12 ILE 40 -6.695 -1.173 2.008 311 3HD1 ILE 40 HD13 ILE 40 -7.364 -2.037 3.392 312 H ASP 41 HN ASP 41 -11.192 -2.917 -2.373 313 HA ASP 41 HA ASP 41 -9.134 -3.063 -4.484 314 1HB ASP 41 HB2 ASP 41 -11.132 -4.618 -4.166 315 2HB ASP 41 HB1 ASP 41 -12.155 -3.273 -4.674 316 H GLY 42 HN GLY 42 -8.983 -0.538 -3.627 317 1HA GLY 42 HA2 GLY 42 -10.877 1.218 -5.026 318 2HA GLY 42 HA1 GLY 42 -9.518 1.732 -4.022 319 H GLU 43 HN GLU 43 -8.447 3.072 -5.398 320 HA GLU 43 HA GLU 43 -7.550 1.946 -7.986 321 1HB GLU 43 HB2 GLU 43 -7.495 4.316 -8.758 322 2HB GLU 43 HB1 GLU 43 -9.104 3.831 -8.233 323 1HG GLU 43 HG2 GLU 43 -9.119 5.542 -6.771 324 2HG GLU 43 HG1 GLU 43 -7.763 4.809 -5.921 325 H TRP 44 HN TRP 44 -5.558 1.161 -7.441 326 HA TRP 44 HA TRP 44 -3.833 2.341 -5.504 327 1HB TRP 44 HB2 TRP 44 -3.577 0.250 -7.643 328 2HB TRP 44 HB1 TRP 44 -2.190 0.710 -6.645 329 HD1 TRP 44 HD1 TRP 44 -5.873 -0.358 -6.158 330 HE1 TRP 44 HE1 TRP 44 -6.024 -1.706 -3.960 331 HE3 TRP 44 HE3 TRP 44 -1.028 -0.025 -4.578 332 HZ2 TRP 44 HZ2 TRP 44 -4.320 -2.503 -1.812 333 HZ3 TRP 44 HZ3 TRP 44 -0.318 -1.087 -2.455 334 HH2 TRP 44 HH2 TRP 44 -1.956 -2.333 -1.072 335 H THR 45 HN THR 45 -2.072 3.605 -5.695 336 HA THR 45 HA THR 45 -1.064 4.484 -8.327 337 HB THR 45 HB THR 45 -1.359 6.904 -7.410 338 HG1 THR 45 HG1 THR 45 -3.253 7.007 -6.055 339 1HG2 THR 45 HG21 THR 45 -2.620 5.795 -9.322 340 2HG2 THR 45 HG22 THR 45 -3.476 7.106 -8.510 341 3HG2 THR 45 HG23 THR 45 -3.892 5.429 -8.156 342 H TYR 46 HN TYR 46 1.128 4.723 -8.116 343 HA TYR 46 HA TYR 46 2.257 4.705 -5.349 344 1HB TYR 46 HB2 TYR 46 2.886 2.788 -6.606 345 2HB TYR 46 HB1 TYR 46 3.113 3.718 -8.080 346 HD1 TYR 46 HD1 TYR 46 5.101 5.225 -8.309 347 HD2 TYR 46 HD2 TYR 46 4.672 2.511 -5.007 348 HE1 TYR 46 HE1 TYR 46 7.523 5.427 -7.826 349 HE2 TYR 46 HE2 TYR 46 7.085 2.710 -4.526 350 HH TYR 46 HH TYR 46 9.290 3.770 -6.595 351 H ASP 47 HN ASP 47 4.037 6.133 -4.881 352 HA ASP 47 HA ASP 47 4.387 8.425 -6.787 353 1HB ASP 47 HB2 ASP 47 3.876 8.291 -3.815 354 2HB ASP 47 HB1 ASP 47 4.642 9.709 -4.533 355 H ASP 48 HN ASP 48 6.477 8.287 -7.497 356 HA ASP 48 HA ASP 48 8.588 6.884 -6.134 357 1HB ASP 48 HB2 ASP 48 9.965 7.908 -7.935 358 2HB ASP 48 HB1 ASP 48 8.460 7.239 -8.565 359 H ALA 49 HN ALA 49 7.410 10.172 -5.907 360 HA ALA 49 HA ALA 49 9.640 11.611 -5.022 361 1HB ALA 49 HB1 ALA 49 7.803 12.961 -5.191 362 2HB ALA 49 HB2 ALA 49 7.606 12.585 -3.479 363 3HB ALA 49 HB3 ALA 49 6.701 11.678 -4.691 364 H THR 50 HN THR 50 7.518 9.454 -3.147 365 HA THR 50 HA THR 50 9.636 9.253 -1.060 366 HB THR 50 HB THR 50 7.893 9.655 0.674 367 HG1 THR 50 HG1 THR 50 5.919 9.517 0.027 368 1HG2 THR 50 HG21 THR 50 7.753 12.048 0.375 369 2HG2 THR 50 HG22 THR 50 7.972 11.890 -1.368 370 3HG2 THR 50 HG23 THR 50 9.303 11.514 -0.273 371 H LYS 51 HN LYS 51 8.043 7.531 -3.214 372 HA LYS 51 HA LYS 51 7.237 5.315 -3.368 373 1HB LYS 51 HB2 LYS 51 9.446 5.525 -1.482 374 2HB LYS 51 HB1 LYS 51 8.399 4.169 -1.068 375 1HG LYS 51 HG2 LYS 51 9.738 3.114 -2.610 376 2HG LYS 51 HG1 LYS 51 8.525 3.770 -3.713 377 1HD LYS 51 HD2 LYS 51 10.657 4.363 -4.638 378 2HD LYS 51 HD1 LYS 51 10.015 5.835 -3.907 379 1HE LYS 51 HE2 LYS 51 11.327 4.943 -1.767 380 2HE LYS 51 HE1 LYS 51 12.293 4.112 -3.002 381 1HZ LYS 51 HZ1 LYS 51 11.657 7.013 -2.900 382 2HZ LYS 51 HZ2 LYS 51 12.428 6.248 -4.206 383 3HZ LYS 51 HZ3 LYS 51 13.183 6.305 -2.685 384 H THR 52 HN THR 52 4.984 5.796 -2.885 385 HA THR 52 HA THR 52 4.100 4.655 -0.293 386 HB THR 52 HB THR 52 3.393 7.452 -1.235 387 HG1 THR 52 HG1 THR 52 5.407 7.547 -0.419 388 1HG2 THR 52 HG21 THR 52 1.837 5.824 0.272 389 2HG2 THR 52 HG22 THR 52 1.888 7.574 0.478 390 3HG2 THR 52 HG23 THR 52 2.846 6.536 1.531 391 H PHE 53 HN PHE 53 2.881 3.033 -1.301 392 HA PHE 53 HA PHE 53 1.288 3.347 -3.673 393 1HB PHE 53 HB2 PHE 53 1.138 1.461 -1.295 394 2HB PHE 53 HB1 PHE 53 0.217 1.235 -2.781 395 HD1 PHE 53 HD1 PHE 53 1.326 0.643 -4.881 396 HD2 PHE 53 HD2 PHE 53 3.563 1.158 -1.251 397 HE1 PHE 53 HE1 PHE 53 3.280 -0.469 -5.928 398 HE2 PHE 53 HE2 PHE 53 5.518 0.046 -2.296 399 HZ PHE 53 HZ PHE 53 5.375 -0.769 -4.635 400 H THR 54 HN THR 54 -0.816 4.156 -3.902 401 HA THR 54 HA THR 54 -2.244 4.911 -1.361 402 HB THR 54 HB THR 54 -1.952 6.457 -3.952 403 HG1 THR 54 HG1 THR 54 -0.268 7.256 -3.034 404 1HG2 THR 54 HG21 THR 54 -2.938 7.729 -1.455 405 2HG2 THR 54 HG22 THR 54 -4.065 6.656 -2.283 406 3HG2 THR 54 HG23 THR 54 -3.386 8.044 -3.131 407 H VAL 55 HN VAL 55 -3.934 3.370 -1.384 408 HA VAL 55 HA VAL 55 -5.524 3.101 -3.861 409 HB VAL 55 HB VAL 55 -4.663 1.028 -2.727 410 1HG1 VAL 55 HG11 VAL 55 -6.662 1.668 -0.571 411 2HG1 VAL 55 HG12 VAL 55 -4.939 2.006 -0.389 412 3HG1 VAL 55 HG13 VAL 55 -5.492 0.340 -0.602 413 1HG2 VAL 55 HG21 VAL 55 -6.774 1.082 -4.099 414 2HG2 VAL 55 HG22 VAL 55 -7.671 1.256 -2.590 415 3HG2 VAL 55 HG23 VAL 55 -6.726 -0.199 -2.889 416 H THR 56 HN THR 56 -7.959 3.007 -3.456 417 HA THR 56 HA THR 56 -8.987 4.411 -1.095 418 HB THR 56 HB THR 56 -8.934 5.625 -3.872 419 HG1 THR 56 HG1 THR 56 -7.255 6.622 -3.154 420 1HG2 THR 56 HG21 THR 56 -9.810 7.578 -2.126 421 2HG2 THR 56 HG22 THR 56 -10.634 6.138 -1.529 422 3HG2 THR 56 HG23 THR 56 -10.847 6.645 -3.205 423 H GLU 57 HN GLU 57 -10.749 3.096 -0.734 424 HA GLU 57 HA GLU 57 -12.347 2.125 -3.064 425 1HB GLU 57 HB2 GLU 57 -11.296 0.856 -0.881 426 2HB GLU 57 HB1 GLU 57 -12.925 1.211 -0.305 427 1HG GLU 57 HG2 GLU 57 -13.442 0.308 -2.843 428 2HG GLU 57 HG1 GLU 57 -12.038 -0.666 -2.408 Start of MODEL 19 1 1H MET 1 HT1 MET 1 17.622 -3.814 1.904 2 2H MET 1 HT2 MET 1 17.206 -2.249 2.419 3 3H MET 1 HT3 MET 1 17.718 -2.513 0.820 4 HA MET 1 HA MET 1 15.741 -3.733 0.297 5 1HB MET 1 HB2 MET 1 15.941 -4.395 2.950 6 2HB MET 1 HB1 MET 1 14.570 -3.286 2.979 7 1HG MET 1 HG2 MET 1 13.482 -5.285 2.518 8 2HG MET 1 HG1 MET 1 13.792 -4.703 0.882 9 1HE MET 1 HE1 MET 1 15.669 -7.933 3.350 10 2HE MET 1 HE2 MET 1 14.049 -8.191 2.706 11 3HE MET 1 HE3 MET 1 14.383 -6.764 3.684 12 H THR 2 HN THR 2 13.314 -2.730 0.683 13 HA THR 2 HA THR 2 13.569 0.250 0.874 14 HB THR 2 HB THR 2 12.182 -1.394 -1.272 15 HG1 THR 2 HG1 THR 2 13.867 -0.899 -2.498 16 1HG2 THR 2 HG21 THR 2 10.982 0.694 -0.805 17 2HG2 THR 2 HG22 THR 2 11.813 0.798 -2.361 18 3HG2 THR 2 HG23 THR 2 12.489 1.603 -0.945 19 H THR 3 HN THR 3 12.231 0.758 2.567 20 HA THR 3 HA THR 3 9.877 -0.857 3.186 21 HB THR 3 HB THR 3 10.825 1.682 4.511 22 HG1 THR 3 HG1 THR 3 12.194 0.366 5.721 23 1HG2 THR 3 HG21 THR 3 8.627 0.264 5.035 24 2HG2 THR 3 HG22 THR 3 9.582 0.993 6.326 25 3HG2 THR 3 HG23 THR 3 9.777 -0.717 5.943 26 H PHE 4 HN PHE 4 8.181 -0.415 1.767 27 HA PHE 4 HA PHE 4 7.619 2.338 0.871 28 1HB PHE 4 HB2 PHE 4 6.353 -0.383 0.465 29 2HB PHE 4 HB1 PHE 4 5.720 1.083 -0.279 30 HD1 PHE 4 HD1 PHE 4 7.045 2.297 -1.978 31 HD2 PHE 4 HD2 PHE 4 8.415 -1.389 -0.252 32 HE1 PHE 4 HE1 PHE 4 8.714 2.064 -3.798 33 HE2 PHE 4 HE2 PHE 4 10.083 -1.623 -2.067 34 HZ PHE 4 HZ PHE 4 10.230 0.105 -3.843 35 H LYS 5 HN LYS 5 5.068 2.850 1.005 36 HA LYS 5 HA LYS 5 3.981 2.115 3.687 37 1HB LYS 5 HB2 LYS 5 5.004 4.739 2.727 38 2HB LYS 5 HB1 LYS 5 3.512 4.778 3.668 39 1HG LYS 5 HG2 LYS 5 4.557 3.662 5.524 40 2HG LYS 5 HG1 LYS 5 5.999 3.307 4.572 41 1HD LYS 5 HD2 LYS 5 5.153 6.164 4.880 42 2HD LYS 5 HD1 LYS 5 5.965 5.371 6.231 43 1HE LYS 5 HE2 LYS 5 7.145 5.105 3.477 44 2HE LYS 5 HE1 LYS 5 7.418 6.596 4.400 45 1HZ LYS 5 HZ1 LYS 5 7.859 3.850 5.448 46 2HZ LYS 5 HZ2 LYS 5 8.188 5.305 6.261 47 3HZ LYS 5 HZ3 LYS 5 9.091 4.873 4.888 48 H LEU 6 HN LEU 6 1.932 1.408 3.247 49 HA LEU 6 HA LEU 6 0.449 2.542 0.923 50 1HB LEU 6 HB2 LEU 6 0.699 0.111 1.084 51 2HB LEU 6 HB1 LEU 6 0.041 0.125 2.719 52 HG LEU 6 HG LEU 6 -2.084 1.126 1.730 53 1HD1 LEU 6 HD11 LEU 6 -2.338 0.549 -0.759 54 2HD1 LEU 6 HD12 LEU 6 -0.578 0.430 -0.795 55 3HD1 LEU 6 HD13 LEU 6 -1.351 1.958 -0.372 56 1HD2 LEU 6 HD21 LEU 6 -2.371 -1.109 2.275 57 2HD2 LEU 6 HD22 LEU 6 -1.053 -1.640 1.227 58 3HD2 LEU 6 HD23 LEU 6 -2.608 -1.188 0.528 59 H ILE 7 HN ILE 7 -1.029 4.145 1.359 60 HA ILE 7 HA ILE 7 -1.827 4.831 4.064 61 HB ILE 7 HB ILE 7 -1.597 6.210 1.796 62 1HG1 ILE 7 HG12 ILE 7 -3.289 7.863 2.753 63 2HG1 ILE 7 HG11 ILE 7 -3.637 6.645 3.981 64 1HG2 ILE 7 HG21 ILE 7 -4.580 5.742 1.773 65 2HG2 ILE 7 HG22 ILE 7 -3.488 4.825 0.737 66 3HG2 ILE 7 HG23 ILE 7 -3.593 6.577 0.574 67 1HD1 ILE 7 HD11 ILE 7 -1.388 6.687 4.792 68 2HD1 ILE 7 HD12 ILE 7 -1.870 8.373 4.612 69 3HD1 ILE 7 HD13 ILE 7 -0.833 7.618 3.401 70 H ILE 8 HN ILE 8 -4.299 4.900 4.614 71 HA ILE 8 HA ILE 8 -5.654 2.485 3.470 72 HB ILE 8 HB ILE 8 -5.455 3.342 6.376 73 1HG1 ILE 8 HG12 ILE 8 -4.294 0.898 5.005 74 2HG1 ILE 8 HG11 ILE 8 -3.366 2.363 5.328 75 1HG2 ILE 8 HG21 ILE 8 -6.650 0.837 5.157 76 2HG2 ILE 8 HG22 ILE 8 -7.596 2.210 5.731 77 3HG2 ILE 8 HG23 ILE 8 -6.629 1.269 6.866 78 1HD1 ILE 8 HD11 ILE 8 -4.283 2.033 7.783 79 2HD1 ILE 8 HD12 ILE 8 -2.883 1.114 7.230 80 3HD1 ILE 8 HD13 ILE 8 -4.477 0.359 7.263 81 H ASN 9 HN ASN 9 -6.794 4.258 2.186 82 HA ASN 9 HA ASN 9 -8.754 5.822 3.801 83 1HB ASN 9 HB2 ASN 9 -7.714 5.869 0.973 84 2HB ASN 9 HB1 ASN 9 -9.224 6.686 1.365 85 1HD2 ASN 9 HD21 ASN 9 -6.712 8.019 0.572 86 2HD2 ASN 9 HD22 ASN 9 -6.254 9.002 1.878 87 H GLY 10 HN GLY 10 -9.151 3.097 3.903 88 1HA GLY 10 HA2 GLY 10 -11.366 2.557 1.977 89 2HA GLY 10 HA1 GLY 10 -10.452 1.309 2.828 90 H LYS 11 HN LYS 11 -13.348 1.705 2.823 91 HA LYS 11 HA LYS 11 -14.173 2.861 5.353 92 1HB LYS 11 HB2 LYS 11 -16.321 1.779 4.751 93 2HB LYS 11 HB1 LYS 11 -15.624 2.629 3.373 94 1HG LYS 11 HG2 LYS 11 -14.500 0.122 3.124 95 2HG LYS 11 HG1 LYS 11 -16.103 -0.255 3.752 96 1HD LYS 11 HD2 LYS 11 -17.061 1.250 1.958 97 2HD LYS 11 HD1 LYS 11 -15.440 1.345 1.268 98 1HE LYS 11 HE2 LYS 11 -16.169 -0.489 0.075 99 2HE LYS 11 HE1 LYS 11 -15.688 -1.358 1.547 100 1HZ LYS 11 HZ1 LYS 11 -18.376 -0.189 1.051 101 2HZ LYS 11 HZ2 LYS 11 -17.902 -1.058 2.432 102 3HZ LYS 11 HZ3 LYS 11 -17.997 -1.837 0.925 103 H THR 12 HN THR 12 -12.516 -0.040 4.625 104 HA THR 12 HA THR 12 -13.702 -1.573 6.868 105 HB THR 12 HB THR 12 -11.430 -2.258 4.981 106 HG1 THR 12 HG1 THR 12 -12.900 -2.854 3.553 107 1HG2 THR 12 HG21 THR 12 -13.357 -4.229 6.133 108 2HG2 THR 12 HG22 THR 12 -12.105 -3.579 7.192 109 3HG2 THR 12 HG23 THR 12 -11.655 -4.435 5.717 110 H LEU 13 HN LEU 13 -10.752 0.193 6.014 111 HA LEU 13 HA LEU 13 -9.872 -0.028 8.859 112 1HB LEU 13 HB2 LEU 13 -8.911 -1.705 6.938 113 2HB LEU 13 HB1 LEU 13 -7.768 -0.371 6.798 114 HG LEU 13 HG LEU 13 -7.669 -0.520 9.409 115 1HD1 LEU 13 HD11 LEU 13 -9.607 -2.352 9.114 116 2HD1 LEU 13 HD12 LEU 13 -8.430 -2.442 10.425 117 3HD1 LEU 13 HD13 LEU 13 -8.211 -3.420 8.973 118 1HD2 LEU 13 HD21 LEU 13 -5.679 -1.019 8.283 119 2HD2 LEU 13 HD22 LEU 13 -6.408 -2.348 7.381 120 3HD2 LEU 13 HD23 LEU 13 -6.025 -2.547 9.092 121 H LYS 14 HN LYS 14 -7.835 1.457 9.134 122 HA LYS 14 HA LYS 14 -7.538 3.667 7.249 123 1HB LYS 14 HB2 LYS 14 -9.768 3.981 8.462 124 2HB LYS 14 HB1 LYS 14 -8.819 4.244 9.926 125 1HG LYS 14 HG2 LYS 14 -7.781 6.186 9.037 126 2HG LYS 14 HG1 LYS 14 -8.294 5.803 7.393 127 1HD LYS 14 HD2 LYS 14 -9.727 7.567 8.231 128 2HD LYS 14 HD1 LYS 14 -10.678 6.083 8.147 129 1HE LYS 14 HE2 LYS 14 -10.126 5.701 10.598 130 2HE LYS 14 HE1 LYS 14 -9.455 7.344 10.621 131 1HZ LYS 14 HZ1 LYS 14 -12.191 6.637 9.699 132 2HZ LYS 14 HZ2 LYS 14 -11.536 8.202 9.798 133 3HZ LYS 14 HZ3 LYS 14 -11.828 7.309 11.213 134 H GLY 15 HN GLY 15 -5.632 4.816 7.684 135 1HA GLY 15 HA2 GLY 15 -4.204 5.626 9.695 136 2HA GLY 15 HA1 GLY 15 -4.101 3.907 10.077 137 H GLU 16 HN GLU 16 -2.212 3.039 9.412 138 HA GLU 16 HA GLU 16 -1.221 3.536 6.675 139 1HB GLU 16 HB2 GLU 16 -0.447 5.383 8.301 140 2HB GLU 16 HB1 GLU 16 0.548 4.135 9.053 141 1HG GLU 16 HG2 GLU 16 1.306 3.676 6.564 142 2HG GLU 16 HG1 GLU 16 0.768 5.338 6.316 143 H THR 17 HN THR 17 0.364 1.949 6.048 144 HA THR 17 HA THR 17 0.955 -0.205 8.038 145 HB THR 17 HB THR 17 0.039 -0.741 5.207 146 HG1 THR 17 HG1 THR 17 -1.776 0.084 5.918 147 1HG2 THR 17 HG21 THR 17 0.274 -2.340 7.758 148 2HG2 THR 17 HG22 THR 17 1.069 -2.636 6.212 149 3HG2 THR 17 HG23 THR 17 -0.667 -2.904 6.377 150 H THR 18 HN THR 18 2.985 -1.158 7.727 151 HA THR 18 HA THR 18 4.593 -0.184 5.385 152 HB THR 18 HB THR 18 6.497 -0.175 7.005 153 HG1 THR 18 HG1 THR 18 6.225 -0.943 8.940 154 1HG2 THR 18 HG21 THR 18 4.636 1.732 6.651 155 2HG2 THR 18 HG22 THR 18 5.980 1.923 7.778 156 3HG2 THR 18 HG23 THR 18 4.395 1.428 8.372 157 H THR 19 HN THR 19 6.159 -1.708 4.570 158 HA THR 19 HA THR 19 6.177 -4.452 5.693 159 HB THR 19 HB THR 19 4.214 -4.347 4.205 160 HG1 THR 19 HG1 THR 19 4.876 -6.289 3.827 161 1HG2 THR 19 HG21 THR 19 5.405 -2.473 2.789 162 2HG2 THR 19 HG22 THR 19 4.274 -3.577 2.007 163 3HG2 THR 19 HG23 THR 19 6.011 -3.841 1.855 164 H GLU 20 HN GLU 20 8.098 -5.527 5.198 165 HA GLU 20 HA GLU 20 10.289 -3.947 4.088 166 1HB GLU 20 HB2 GLU 20 11.579 -5.998 4.660 167 2HB GLU 20 HB1 GLU 20 10.549 -5.480 5.993 168 1HG GLU 20 HG2 GLU 20 8.926 -7.191 4.460 169 2HG GLU 20 HG1 GLU 20 10.503 -7.979 4.497 170 H ALA 21 HN ALA 21 10.503 -3.726 1.895 171 HA ALA 21 HA ALA 21 10.254 -6.163 0.188 172 1HB ALA 21 HB1 ALA 21 8.529 -5.277 -1.027 173 2HB ALA 21 HB2 ALA 21 9.183 -3.642 -0.937 174 3HB ALA 21 HB3 ALA 21 8.258 -4.297 0.414 175 H VAL 22 HN VAL 22 11.810 -6.198 -1.448 176 HA VAL 22 HA VAL 22 14.117 -4.574 -1.337 177 HB VAL 22 HB VAL 22 14.588 -5.633 -3.521 178 1HG1 VAL 22 HG11 VAL 22 14.556 -6.883 -1.237 179 2HG1 VAL 22 HG12 VAL 22 14.682 -7.829 -2.720 180 3HG1 VAL 22 HG13 VAL 22 13.131 -7.688 -1.893 181 1HG2 VAL 22 HG21 VAL 22 12.399 -5.391 -4.577 182 2HG2 VAL 22 HG22 VAL 22 11.680 -6.471 -3.385 183 3HG2 VAL 22 HG23 VAL 22 12.849 -7.095 -4.546 184 H ASP 23 HN ASP 23 11.157 -4.218 -3.263 185 HA ASP 23 HA ASP 23 11.524 -1.367 -3.597 186 1HB ASP 23 HB2 ASP 23 13.182 -2.703 -5.185 187 2HB ASP 23 HB1 ASP 23 11.740 -2.862 -6.188 188 H ALA 24 HN ALA 24 9.940 -0.766 -5.673 189 HA ALA 24 HA ALA 24 7.305 -1.308 -4.887 190 1HB ALA 24 HB1 ALA 24 7.861 -0.845 -7.772 191 2HB ALA 24 HB2 ALA 24 8.533 0.327 -6.638 192 3HB ALA 24 HB3 ALA 24 6.794 0.038 -6.680 193 H ALA 25 HN ALA 25 9.443 -3.288 -6.815 194 HA ALA 25 HA ALA 25 7.576 -4.842 -8.298 195 1HB ALA 25 HB1 ALA 25 10.090 -5.928 -7.026 196 2HB ALA 25 HB2 ALA 25 10.172 -4.717 -8.305 197 3HB ALA 25 HB3 ALA 25 9.427 -6.283 -8.621 198 H THR 26 HN THR 26 8.473 -4.954 -4.895 199 HA THR 26 HA THR 26 6.712 -7.358 -4.531 200 HB THR 26 HB THR 26 8.886 -6.333 -2.691 201 HG1 THR 26 HG1 THR 26 9.082 -8.314 -4.708 202 1HG2 THR 26 HG21 THR 26 7.193 -8.790 -2.913 203 2HG2 THR 26 HG22 THR 26 7.679 -7.891 -1.476 204 3HG2 THR 26 HG23 THR 26 8.832 -8.954 -2.282 205 H ALA 27 HN ALA 27 7.256 -4.024 -3.629 206 HA ALA 27 HA ALA 27 5.884 -3.845 -1.155 207 1HB ALA 27 HB1 ALA 27 5.684 -1.785 -3.347 208 2HB ALA 27 HB2 ALA 27 7.231 -2.131 -2.579 209 3HB ALA 27 HB3 ALA 27 5.883 -1.528 -1.614 210 H GLU 28 HN GLU 28 4.480 -3.010 -4.354 211 HA GLU 28 HA GLU 28 1.760 -2.915 -3.482 212 1HB GLU 28 HB2 GLU 28 3.136 -2.310 -5.733 213 2HB GLU 28 HB1 GLU 28 2.395 -3.828 -6.245 214 1HG GLU 28 HG2 GLU 28 0.184 -2.997 -5.763 215 2HG GLU 28 HG1 GLU 28 0.837 -1.555 -4.988 216 H LYS 29 HN LYS 29 3.737 -5.613 -4.690 217 HA LYS 29 HA LYS 29 1.703 -7.570 -5.045 218 1HB LYS 29 HB2 LYS 29 4.177 -7.647 -5.627 219 2HB LYS 29 HB1 LYS 29 4.488 -8.005 -3.928 220 1HG LYS 29 HG2 LYS 29 2.898 -9.957 -4.140 221 2HG LYS 29 HG1 LYS 29 2.858 -9.654 -5.877 222 1HD LYS 29 HD2 LYS 29 5.281 -9.980 -6.020 223 2HD LYS 29 HD1 LYS 29 5.371 -10.210 -4.273 224 1HE LYS 29 HE2 LYS 29 4.525 -12.346 -4.379 225 2HE LYS 29 HE1 LYS 29 3.447 -11.957 -5.734 226 1HZ LYS 29 HZ1 LYS 29 5.259 -13.324 -6.517 227 2HZ LYS 29 HZ2 LYS 29 6.403 -12.249 -5.865 228 3HZ LYS 29 HZ3 LYS 29 5.416 -11.763 -7.160 229 H VAL 30 HN VAL 30 3.556 -6.685 -2.127 230 HA VAL 30 HA VAL 30 2.157 -8.601 -0.410 231 HB VAL 30 HB VAL 30 3.993 -6.232 0.108 232 1HG1 VAL 30 HG11 VAL 30 2.838 -8.337 1.940 233 2HG1 VAL 30 HG12 VAL 30 2.880 -6.587 2.167 234 3HG1 VAL 30 HG13 VAL 30 4.363 -7.533 2.315 235 1HG2 VAL 30 HG21 VAL 30 4.641 -9.179 0.280 236 2HG2 VAL 30 HG22 VAL 30 5.761 -7.818 0.196 237 3HG2 VAL 30 HG23 VAL 30 4.819 -8.274 -1.224 238 H PHE 31 HN PHE 31 2.163 -5.035 -0.778 239 HA PHE 31 HA PHE 31 0.145 -4.480 1.159 240 1HB PHE 31 HB2 PHE 31 1.321 -3.130 -1.245 241 2HB PHE 31 HB1 PHE 31 -0.122 -2.427 -0.519 242 HD1 PHE 31 HD1 PHE 31 0.220 -2.891 2.345 243 HD2 PHE 31 HD2 PHE 31 3.149 -1.821 -0.610 244 HE1 PHE 31 HE1 PHE 31 1.615 -1.845 4.106 245 HE2 PHE 31 HE2 PHE 31 4.543 -0.779 1.155 246 HZ PHE 31 HZ PHE 31 3.778 -0.791 3.512 247 H LYS 32 HN LYS 32 -0.085 -5.448 -2.246 248 HA LYS 32 HA LYS 32 -2.872 -4.865 -2.616 249 1HB LYS 32 HB2 LYS 32 -0.832 -6.707 -3.850 250 2HB LYS 32 HB1 LYS 32 -2.521 -6.841 -4.333 251 1HG LYS 32 HG2 LYS 32 -2.584 -4.549 -5.060 252 2HG LYS 32 HG1 LYS 32 -0.998 -4.224 -4.360 253 1HD LYS 32 HD2 LYS 32 -0.651 -4.528 -6.715 254 2HD LYS 32 HD1 LYS 32 -0.071 -5.997 -5.930 255 1HE LYS 32 HE2 LYS 32 -2.430 -6.955 -6.349 256 2HE LYS 32 HE1 LYS 32 -2.644 -5.594 -7.468 257 1HZ LYS 32 HZ1 LYS 32 -1.695 -7.445 -8.656 258 2HZ LYS 32 HZ2 LYS 32 -0.444 -7.592 -7.516 259 3HZ LYS 32 HZ3 LYS 32 -0.528 -6.223 -8.520 260 H GLN 33 HN GLN 33 -1.134 -7.764 -1.487 261 HA GLN 33 HA GLN 33 -3.431 -9.447 -1.117 262 1HB GLN 33 HB2 GLN 33 -1.035 -10.163 -1.219 263 2HB GLN 33 HB1 GLN 33 -0.775 -9.400 0.351 264 1HG GLN 33 HG2 GLN 33 -1.163 -11.726 0.786 265 2HG GLN 33 HG1 GLN 33 -2.642 -10.881 1.246 266 1HE2 GLN 33 HE21 GLN 33 -4.541 -11.167 -0.111 267 2HE2 GLN 33 HE22 GLN 33 -4.611 -12.372 -1.304 268 H TYR 34 HN TYR 34 -1.880 -7.018 0.839 269 HA TYR 34 HA TYR 34 -3.249 -7.541 3.331 270 1HB TYR 34 HB2 TYR 34 -1.265 -6.274 3.461 271 2HB TYR 34 HB1 TYR 34 -1.677 -5.302 2.054 272 HD1 TYR 34 HD1 TYR 34 -2.346 -5.846 5.653 273 HD2 TYR 34 HD2 TYR 34 -3.000 -3.301 2.261 274 HE1 TYR 34 HE1 TYR 34 -3.253 -4.084 7.150 275 HE2 TYR 34 HE2 TYR 34 -3.907 -1.538 3.747 276 HH TYR 34 HH TYR 34 -3.405 -1.266 6.789 277 H ALA 35 HN ALA 35 -3.742 -5.009 0.845 278 HA ALA 35 HA ALA 35 -6.188 -3.964 1.862 279 1HB ALA 35 HB1 ALA 35 -5.250 -2.616 0.246 280 2HB ALA 35 HB2 ALA 35 -6.358 -3.508 -0.798 281 3HB ALA 35 HB3 ALA 35 -4.663 -3.989 -0.698 282 H ASN 36 HN ASN 36 -5.585 -6.576 -0.495 283 HA ASN 36 HA ASN 36 -8.231 -7.098 -1.307 284 1HB ASN 36 HB2 ASN 36 -5.636 -8.514 -1.164 285 2HB ASN 36 HB1 ASN 36 -7.048 -9.561 -1.299 286 1HD2 ASN 36 HD21 ASN 36 -4.997 -9.029 -3.401 287 2HD2 ASN 36 HD22 ASN 36 -5.841 -8.373 -4.719 288 H ASP 37 HN ASP 37 -6.478 -8.231 1.567 289 HA ASP 37 HA ASP 37 -8.378 -10.141 2.511 290 1HB ASP 37 HB2 ASP 37 -5.965 -9.593 3.254 291 2HB ASP 37 HB1 ASP 37 -6.690 -8.326 4.244 292 H ASN 38 HN ASN 38 -8.162 -6.621 2.978 293 HA ASN 38 HA ASN 38 -10.564 -6.602 4.712 294 1HB ASN 38 HB2 ASN 38 -8.584 -4.553 3.688 295 2HB ASN 38 HB1 ASN 38 -9.990 -4.102 4.654 296 1HD2 ASN 38 HD21 ASN 38 -7.034 -6.135 4.740 297 2HD2 ASN 38 HD22 ASN 38 -6.907 -6.151 6.433 298 H GLY 39 HN GLY 39 -9.599 -5.797 1.417 299 1HA GLY 39 HA2 GLY 39 -11.232 -5.845 -0.398 300 2HA GLY 39 HA1 GLY 39 -12.468 -5.334 0.753 301 H ILE 40 HN ILE 40 -9.210 -3.983 0.182 302 HA ILE 40 HA ILE 40 -10.445 -1.293 -0.069 303 HB ILE 40 HB ILE 40 -7.589 -2.280 0.242 304 1HG1 ILE 40 HG12 ILE 40 -9.482 -0.899 2.175 305 2HG1 ILE 40 HG11 ILE 40 -9.108 -2.620 2.189 306 1HG2 ILE 40 HG21 ILE 40 -8.764 0.458 -0.139 307 2HG2 ILE 40 HG22 ILE 40 -7.242 -0.194 -0.754 308 3HG2 ILE 40 HG23 ILE 40 -7.383 0.277 0.941 309 1HD1 ILE 40 HD11 ILE 40 -7.677 -0.525 3.462 310 2HD1 ILE 40 HD12 ILE 40 -6.642 -1.130 2.167 311 3HD1 ILE 40 HD13 ILE 40 -7.252 -2.234 3.400 312 H ASP 41 HN ASP 41 -11.213 -2.411 -2.297 313 HA ASP 41 HA ASP 41 -9.185 -2.320 -4.435 314 1HB ASP 41 HB2 ASP 41 -12.025 -3.095 -4.034 315 2HB ASP 41 HB1 ASP 41 -11.626 -2.507 -5.648 316 H GLY 42 HN GLY 42 -8.975 0.095 -3.388 317 1HA GLY 42 HA2 GLY 42 -10.902 1.987 -4.559 318 2HA GLY 42 HA1 GLY 42 -9.534 2.394 -3.521 319 H GLU 43 HN GLU 43 -8.484 3.879 -4.761 320 HA GLU 43 HA GLU 43 -7.663 3.077 -7.493 321 1HB GLU 43 HB2 GLU 43 -8.160 5.762 -6.185 322 2HB GLU 43 HB1 GLU 43 -7.435 5.597 -7.784 323 1HG GLU 43 HG2 GLU 43 -9.940 4.068 -7.361 324 2HG GLU 43 HG1 GLU 43 -10.115 5.822 -7.367 325 H TRP 44 HN TRP 44 -5.664 2.150 -7.129 326 HA TRP 44 HA TRP 44 -3.861 3.034 -5.088 327 1HB TRP 44 HB2 TRP 44 -3.720 1.169 -7.442 328 2HB TRP 44 HB1 TRP 44 -2.320 1.447 -6.398 329 HD1 TRP 44 HD1 TRP 44 -6.047 0.486 -6.058 330 HE1 TRP 44 HE1 TRP 44 -6.283 -1.081 -4.021 331 HE3 TRP 44 HE3 TRP 44 -1.219 0.464 -4.392 332 HZ2 TRP 44 HZ2 TRP 44 -4.644 -2.175 -1.956 333 HZ3 TRP 44 HZ3 TRP 44 -0.584 -0.850 -2.388 334 HH2 TRP 44 HH2 TRP 44 -2.291 -2.174 -1.170 335 H THR 45 HN THR 45 -2.044 4.239 -5.211 336 HA THR 45 HA THR 45 -1.019 5.291 -7.758 337 HB THR 45 HB THR 45 -1.296 7.660 -6.752 338 HG1 THR 45 HG1 THR 45 -2.974 7.837 -5.273 339 1HG2 THR 45 HG21 THR 45 -3.988 6.536 -7.376 340 2HG2 THR 45 HG22 THR 45 -2.722 6.337 -8.588 341 3HG2 THR 45 HG23 THR 45 -3.178 7.952 -8.047 342 H TYR 46 HN TYR 46 1.165 5.472 -7.504 343 HA TYR 46 HA TYR 46 2.257 5.272 -4.733 344 1HB TYR 46 HB2 TYR 46 2.899 3.446 -6.107 345 2HB TYR 46 HB1 TYR 46 3.135 4.471 -7.516 346 HD1 TYR 46 HD1 TYR 46 5.111 6.025 -7.602 347 HD2 TYR 46 HD2 TYR 46 4.686 3.026 -4.557 348 HE1 TYR 46 HE1 TYR 46 7.531 6.195 -7.095 349 HE2 TYR 46 HE2 TYR 46 7.098 3.194 -4.052 350 HH TYR 46 HH TYR 46 9.042 5.732 -5.187 351 H ASP 47 HN ASP 47 3.465 6.952 -3.930 352 HA ASP 47 HA ASP 47 4.003 9.291 -5.711 353 1HB ASP 47 HB2 ASP 47 3.627 8.848 -2.745 354 2HB ASP 47 HB1 ASP 47 4.306 10.354 -3.363 355 H ASP 48 HN ASP 48 6.062 9.138 -6.540 356 HA ASP 48 HA ASP 48 8.236 7.682 -5.361 357 1HB ASP 48 HB2 ASP 48 7.697 8.735 -7.771 358 2HB ASP 48 HB1 ASP 48 8.728 10.023 -7.149 359 H ALA 49 HN ALA 49 6.992 10.887 -4.753 360 HA ALA 49 HA ALA 49 9.220 12.310 -3.840 361 1HB ALA 49 HB1 ALA 49 7.115 13.388 -3.994 362 2HB ALA 49 HB2 ALA 49 7.441 13.331 -2.261 363 3HB ALA 49 HB3 ALA 49 6.329 12.171 -2.988 364 H THR 50 HN THR 50 7.319 9.843 -2.117 365 HA THR 50 HA THR 50 9.542 9.556 -0.158 366 HB THR 50 HB THR 50 7.892 9.731 1.699 367 HG1 THR 50 HG1 THR 50 5.819 10.352 1.239 368 1HG2 THR 50 HG21 THR 50 7.718 12.117 1.673 369 2HG2 THR 50 HG22 THR 50 7.717 12.163 -0.090 370 3HG2 THR 50 HG23 THR 50 9.187 11.723 0.780 371 H LYS 51 HN LYS 51 7.998 7.951 -2.376 372 HA LYS 51 HA LYS 51 7.270 5.726 -2.700 373 1HB LYS 51 HB2 LYS 51 9.524 5.877 -0.909 374 2HB LYS 51 HB1 LYS 51 8.506 4.524 -0.421 375 1HG LYS 51 HG2 LYS 51 9.627 3.392 -2.045 376 2HG LYS 51 HG1 LYS 51 8.507 4.210 -3.135 377 1HD LYS 51 HD2 LYS 51 10.676 4.638 -4.028 378 2HD LYS 51 HD1 LYS 51 10.213 6.126 -3.202 379 1HE LYS 51 HE2 LYS 51 11.587 5.594 -1.294 380 2HE LYS 51 HE1 LYS 51 11.877 3.949 -1.892 381 1HZ LYS 51 HZ1 LYS 51 12.729 6.496 -3.159 382 2HZ LYS 51 HZ2 LYS 51 12.814 4.986 -3.934 383 3HZ LYS 51 HZ3 LYS 51 13.732 5.280 -2.534 384 H THR 52 HN THR 52 5.000 6.218 -2.128 385 HA THR 52 HA THR 52 4.157 4.763 0.316 386 HB THR 52 HB THR 52 3.389 7.633 -0.292 387 HG1 THR 52 HG1 THR 52 4.931 8.190 1.031 388 1HG2 THR 52 HG21 THR 52 1.847 5.893 1.007 389 2HG2 THR 52 HG22 THR 52 2.003 7.563 1.552 390 3HG2 THR 52 HG23 THR 52 2.937 6.289 2.336 391 H PHE 53 HN PHE 53 2.864 3.269 -0.768 392 HA PHE 53 HA PHE 53 1.290 3.790 -3.115 393 1HB PHE 53 HB2 PHE 53 1.147 1.744 -0.878 394 2HB PHE 53 HB1 PHE 53 0.130 1.659 -2.316 395 HD1 PHE 53 HD1 PHE 53 1.076 1.169 -4.510 396 HD2 PHE 53 HD2 PHE 53 3.567 1.397 -1.019 397 HE1 PHE 53 HE1 PHE 53 2.924 0.089 -5.760 398 HE2 PHE 53 HE2 PHE 53 5.417 0.315 -2.266 399 HZ PHE 53 HZ PHE 53 5.094 -0.339 -4.640 400 H THR 54 HN THR 54 -0.808 4.641 -3.297 401 HA THR 54 HA THR 54 -2.204 5.288 -0.711 402 HB THR 54 HB THR 54 -1.947 6.961 -3.226 403 HG1 THR 54 HG1 THR 54 -0.189 7.629 -2.336 404 1HG2 THR 54 HG21 THR 54 -3.325 8.518 -2.269 405 2HG2 THR 54 HG22 THR 54 -2.808 8.120 -0.631 406 3HG2 THR 54 HG23 THR 54 -3.986 7.100 -1.456 407 H VAL 55 HN VAL 55 -3.859 3.672 -0.848 408 HA VAL 55 HA VAL 55 -5.545 3.677 -3.278 409 HB VAL 55 HB VAL 55 -4.666 1.488 -2.410 410 1HG1 VAL 55 HG11 VAL 55 -4.811 2.180 0.022 411 2HG1 VAL 55 HG12 VAL 55 -5.460 0.577 -0.342 412 3HG1 VAL 55 HG13 VAL 55 -6.556 1.949 -0.114 413 1HG2 VAL 55 HG21 VAL 55 -7.661 1.720 -2.130 414 2HG2 VAL 55 HG22 VAL 55 -6.744 0.298 -2.619 415 3HG2 VAL 55 HG23 VAL 55 -6.825 1.703 -3.682 416 H THR 56 HN THR 56 -7.952 3.556 -2.809 417 HA THR 56 HA THR 56 -8.923 4.669 -0.274 418 HB THR 56 HB THR 56 -8.901 6.216 -2.883 419 HG1 THR 56 HG1 THR 56 -7.363 7.365 -1.986 420 1HG2 THR 56 HG21 THR 56 -10.852 7.053 -2.040 421 2HG2 THR 56 HG22 THR 56 -9.769 7.980 -1.002 422 3HG2 THR 56 HG23 THR 56 -10.502 6.491 -0.406 423 H GLU 57 HN GLU 57 -10.666 3.260 -0.083 424 HA GLU 57 HA GLU 57 -12.069 2.011 -2.232 425 1HB GLU 57 HB2 GLU 57 -12.821 2.663 0.634 426 2HB GLU 57 HB1 GLU 57 -13.776 1.604 -0.402 427 1HG GLU 57 HG2 GLU 57 -11.625 0.267 -0.776 428 2HG GLU 57 HG1 GLU 57 -10.943 1.188 0.565 Start of MODEL 20 1 1H MET 1 HT1 MET 1 16.368 1.182 5.829 2 2H MET 1 HT2 MET 1 16.742 -0.312 6.547 3 3H MET 1 HT3 MET 1 15.155 0.290 6.610 4 HA MET 1 HA MET 1 16.585 -0.549 4.136 5 1HB MET 1 HB2 MET 1 14.848 -1.828 6.176 6 2HB MET 1 HB1 MET 1 14.434 -2.184 4.498 7 1HG MET 1 HG2 MET 1 16.015 -3.828 4.812 8 2HG MET 1 HG1 MET 1 17.090 -2.517 4.329 9 1HE MET 1 HE1 MET 1 15.723 -4.794 6.946 10 2HE MET 1 HE2 MET 1 17.063 -4.881 8.087 11 3HE MET 1 HE3 MET 1 17.322 -5.321 6.401 12 H THR 2 HN THR 2 14.401 -1.182 2.672 13 HA THR 2 HA THR 2 13.194 1.431 2.089 14 HB THR 2 HB THR 2 12.809 -1.327 0.879 15 HG1 THR 2 HG1 THR 2 14.535 0.823 0.220 16 1HG2 THR 2 HG21 THR 2 12.287 1.414 -0.301 17 2HG2 THR 2 HG22 THR 2 11.032 0.360 0.352 18 3HG2 THR 2 HG23 THR 2 11.959 -0.143 -1.063 19 H THR 3 HN THR 3 11.461 2.047 3.336 20 HA THR 3 HA THR 3 9.504 -0.006 4.182 21 HB THR 3 HB THR 3 9.842 2.786 5.270 22 HG1 THR 3 HG1 THR 3 11.179 1.706 6.855 23 1HG2 THR 3 HG21 THR 3 7.890 1.023 5.760 24 2HG2 THR 3 HG22 THR 3 8.531 2.075 7.022 25 3HG2 THR 3 HG23 THR 3 9.087 0.406 6.899 26 H PHE 4 HN PHE 4 8.209 0.031 2.249 27 HA PHE 4 HA PHE 4 7.259 2.446 0.989 28 1HB PHE 4 HB2 PHE 4 6.255 -0.417 1.065 29 2HB PHE 4 HB1 PHE 4 5.621 0.811 -0.030 30 HD1 PHE 4 HD1 PHE 4 8.386 -1.448 0.700 31 HD2 PHE 4 HD2 PHE 4 7.104 1.833 -1.758 32 HE1 PHE 4 HE1 PHE 4 10.251 -1.897 -0.872 33 HE2 PHE 4 HE2 PHE 4 8.972 1.384 -3.327 34 HZ PHE 4 HZ PHE 4 10.541 -0.477 -2.885 35 H LYS 5 HN LYS 5 4.830 2.973 0.934 36 HA LYS 5 HA LYS 5 3.478 2.476 3.556 37 1HB LYS 5 HB2 LYS 5 4.507 5.004 2.369 38 2HB LYS 5 HB1 LYS 5 2.922 5.093 3.138 39 1HG LYS 5 HG2 LYS 5 3.822 4.186 5.209 40 2HG LYS 5 HG1 LYS 5 5.396 3.936 4.453 41 1HD LYS 5 HD2 LYS 5 5.695 6.327 4.156 42 2HD LYS 5 HD1 LYS 5 4.058 6.641 4.736 43 1HE LYS 5 HE2 LYS 5 4.709 5.590 6.938 44 2HE LYS 5 HE1 LYS 5 6.380 5.527 6.345 45 1HZ LYS 5 HZ1 LYS 5 5.768 7.605 7.595 46 2HZ LYS 5 HZ2 LYS 5 4.744 8.001 6.298 47 3HZ LYS 5 HZ3 LYS 5 6.418 7.856 6.049 48 H LEU 6 HN LEU 6 1.466 1.697 3.065 49 HA LEU 6 HA LEU 6 0.224 2.398 0.449 50 1HB LEU 6 HB2 LEU 6 0.433 0.033 1.025 51 2HB LEU 6 HB1 LEU 6 -0.359 0.307 2.575 52 HG LEU 6 HG LEU 6 -2.388 1.123 1.245 53 1HD1 LEU 6 HD11 LEU 6 -2.460 0.145 -1.108 54 2HD1 LEU 6 HD12 LEU 6 -0.711 -0.056 -0.978 55 3HD1 LEU 6 HD13 LEU 6 -1.421 1.556 -0.899 56 1HD2 LEU 6 HD21 LEU 6 -2.824 -1.379 0.436 57 2HD2 LEU 6 HD22 LEU 6 -2.769 -0.969 2.151 58 3HD2 LEU 6 HD23 LEU 6 -1.356 -1.680 1.367 59 H ILE 7 HN ILE 7 -1.487 3.811 0.381 60 HA ILE 7 HA ILE 7 -2.469 5.032 2.856 61 HB ILE 7 HB ILE 7 -2.014 5.954 0.381 62 1HG1 ILE 7 HG12 ILE 7 -3.826 7.735 0.926 63 2HG1 ILE 7 HG11 ILE 7 -4.066 6.799 2.402 64 1HG2 ILE 7 HG21 ILE 7 -3.779 4.505 -0.653 65 2HG2 ILE 7 HG22 ILE 7 -4.030 6.227 -0.935 66 3HG2 ILE 7 HG23 ILE 7 -4.988 5.384 0.281 67 1HD1 ILE 7 HD11 ILE 7 -1.540 8.167 1.460 68 2HD1 ILE 7 HD12 ILE 7 -1.530 6.942 2.728 69 3HD1 ILE 7 HD13 ILE 7 -2.429 8.441 2.959 70 H ILE 8 HN ILE 8 -5.015 5.177 3.061 71 HA ILE 8 HA ILE 8 -6.220 2.539 2.303 72 HB ILE 8 HB ILE 8 -6.330 3.969 4.978 73 1HG1 ILE 8 HG12 ILE 8 -5.020 1.339 4.226 74 2HG1 ILE 8 HG11 ILE 8 -4.147 2.861 4.407 75 1HG2 ILE 8 HG21 ILE 8 -7.267 1.160 4.478 76 2HG2 ILE 8 HG22 ILE 8 -8.339 2.508 4.105 77 3HG2 ILE 8 HG23 ILE 8 -7.746 2.285 5.749 78 1HD1 ILE 8 HD11 ILE 8 -4.485 2.939 6.709 79 2HD1 ILE 8 HD12 ILE 8 -4.331 1.203 6.449 80 3HD1 ILE 8 HD13 ILE 8 -5.928 1.928 6.635 81 H ASN 9 HN ASN 9 -7.097 4.135 0.585 82 HA ASN 9 HA ASN 9 -9.269 5.895 1.597 83 1HB ASN 9 HB2 ASN 9 -7.531 5.672 -0.743 84 2HB ASN 9 HB1 ASN 9 -9.216 5.882 -1.214 85 1HD2 ASN 9 HD21 ASN 9 -6.865 7.840 -1.274 86 2HD2 ASN 9 HD22 ASN 9 -7.427 9.198 -0.424 87 H GLY 10 HN GLY 10 -9.812 3.288 2.197 88 1HA GLY 10 HA2 GLY 10 -11.734 2.391 0.088 89 2HA GLY 10 HA1 GLY 10 -10.946 1.300 1.230 90 H LYS 11 HN LYS 11 -13.790 1.570 0.841 91 HA LYS 11 HA LYS 11 -14.974 3.143 2.969 92 1HB LYS 11 HB2 LYS 11 -15.930 0.757 1.353 93 2HB LYS 11 HB1 LYS 11 -16.970 1.748 2.375 94 1HG LYS 11 HG2 LYS 11 -16.287 3.753 1.037 95 2HG LYS 11 HG1 LYS 11 -15.396 2.679 -0.042 96 1HD LYS 11 HD2 LYS 11 -18.352 2.371 0.547 97 2HD LYS 11 HD1 LYS 11 -17.723 3.260 -0.841 98 1HE LYS 11 HE2 LYS 11 -16.393 1.098 -1.382 99 2HE LYS 11 HE1 LYS 11 -17.518 0.301 -0.264 100 1HZ LYS 11 HZ1 LYS 11 -19.364 1.284 -1.498 101 2HZ LYS 11 HZ2 LYS 11 -18.418 0.294 -2.503 102 3HZ LYS 11 HZ3 LYS 11 -18.276 1.984 -2.595 103 H THR 12 HN THR 12 -13.244 0.151 2.956 104 HA THR 12 HA THR 12 -14.596 -0.943 5.338 105 HB THR 12 HB THR 12 -12.063 -1.847 3.943 106 HG1 THR 12 HG1 THR 12 -13.454 -1.901 2.322 107 1HG2 THR 12 HG21 THR 12 -12.315 -3.818 5.082 108 2HG2 THR 12 HG22 THR 12 -14.076 -3.713 5.082 109 3HG2 THR 12 HG23 THR 12 -13.136 -2.768 6.237 110 H LEU 13 HN LEU 13 -11.578 0.743 4.502 111 HA LEU 13 HA LEU 13 -11.097 1.167 7.421 112 1HB LEU 13 HB2 LEU 13 -9.466 -0.350 5.447 113 2HB LEU 13 HB1 LEU 13 -8.579 0.684 6.567 114 HG LEU 13 HG LEU 13 -10.732 -1.121 7.622 115 1HD1 LEU 13 HD11 LEU 13 -8.639 -2.685 8.060 116 2HD1 LEU 13 HD12 LEU 13 -8.024 -1.904 6.603 117 3HD1 LEU 13 HD13 LEU 13 -9.541 -2.803 6.550 118 1HD2 LEU 13 HD21 LEU 13 -9.060 -1.120 9.556 119 2HD2 LEU 13 HD22 LEU 13 -9.821 0.431 9.201 120 3HD2 LEU 13 HD23 LEU 13 -8.172 0.114 8.663 121 H LYS 14 HN LYS 14 -9.506 2.928 7.801 122 HA LYS 14 HA LYS 14 -9.033 4.745 5.481 123 1HB LYS 14 HB2 LYS 14 -10.856 5.081 7.788 124 2HB LYS 14 HB1 LYS 14 -9.826 6.474 7.453 125 1HG LYS 14 HG2 LYS 14 -10.624 5.853 4.930 126 2HG LYS 14 HG1 LYS 14 -12.039 5.328 5.844 127 1HD LYS 14 HD2 LYS 14 -12.363 7.493 6.785 128 2HD LYS 14 HD1 LYS 14 -10.766 8.036 6.270 129 1HE LYS 14 HE2 LYS 14 -11.851 8.921 4.466 130 2HE LYS 14 HE1 LYS 14 -11.955 7.250 3.878 131 1HZ LYS 14 HZ1 LYS 14 -14.164 8.098 3.992 132 2HZ LYS 14 HZ2 LYS 14 -13.930 8.689 5.567 133 3HZ LYS 14 HZ3 LYS 14 -13.982 7.015 5.284 134 H GLY 15 HN GLY 15 -7.045 5.770 5.647 135 1HA GLY 15 HA2 GLY 15 -5.531 6.930 7.401 136 2HA GLY 15 HA1 GLY 15 -5.511 5.343 8.171 137 H GLU 16 HN GLU 16 -3.297 4.937 7.857 138 HA GLU 16 HA GLU 16 -2.526 4.279 5.051 139 1HB GLU 16 HB2 GLU 16 -1.805 6.601 5.611 140 2HB GLU 16 HB1 GLU 16 -0.893 5.962 6.980 141 1HG GLU 16 HG2 GLU 16 0.601 4.769 5.564 142 2HG GLU 16 HG1 GLU 16 -0.447 4.973 4.160 143 H THR 17 HN THR 17 -0.465 2.949 5.050 144 HA THR 17 HA THR 17 0.029 1.510 7.625 145 HB THR 17 HB THR 17 -0.341 0.120 4.965 146 HG1 THR 17 HG1 THR 17 -2.261 0.733 6.957 147 1HG2 THR 17 HG21 THR 17 0.732 -1.279 6.552 148 2HG2 THR 17 HG22 THR 17 -0.966 -1.751 6.609 149 3HG2 THR 17 HG23 THR 17 -0.297 -0.711 7.866 150 H THR 18 HN THR 18 2.040 0.085 7.393 151 HA THR 18 HA THR 18 3.970 1.142 5.361 152 HB THR 18 HB THR 18 5.605 1.153 7.367 153 HG1 THR 18 HG1 THR 18 4.129 -0.005 8.726 154 1HG2 THR 18 HG21 THR 18 3.336 3.069 6.915 155 2HG2 THR 18 HG22 THR 18 5.050 3.270 6.550 156 3HG2 THR 18 HG23 THR 18 4.487 3.364 8.219 157 H THR 19 HN THR 19 5.944 -0.288 5.230 158 HA THR 19 HA THR 19 5.578 -3.050 6.274 159 HB THR 19 HB THR 19 4.401 -2.945 4.113 160 HG1 THR 19 HG1 THR 19 5.273 -4.760 3.472 161 1HG2 THR 19 HG21 THR 19 5.587 -1.037 3.133 162 2HG2 THR 19 HG22 THR 19 5.678 -2.425 2.048 163 3HG2 THR 19 HG23 THR 19 7.070 -1.987 3.038 164 H GLU 20 HN GLU 20 7.583 -4.362 5.931 165 HA GLU 20 HA GLU 20 10.020 -2.617 5.854 166 1HB GLU 20 HB2 GLU 20 9.127 -4.105 7.887 167 2HB GLU 20 HB1 GLU 20 9.981 -5.377 7.012 168 1HG GLU 20 HG2 GLU 20 12.041 -4.055 7.037 169 2HG GLU 20 HG1 GLU 20 11.200 -2.725 7.835 170 H ALA 21 HN ALA 21 10.215 -2.814 3.507 171 HA ALA 21 HA ALA 21 11.122 -5.534 2.614 172 1HB ALA 21 HB1 ALA 21 10.256 -4.320 0.339 173 2HB ALA 21 HB2 ALA 21 9.196 -3.555 1.523 174 3HB ALA 21 HB3 ALA 21 9.213 -5.311 1.359 175 H VAL 22 HN VAL 22 12.247 -4.965 0.239 176 HA VAL 22 HA VAL 22 14.379 -2.961 0.892 177 HB VAL 22 HB VAL 22 15.068 -5.327 0.802 178 1HG1 VAL 22 HG11 VAL 22 13.819 -5.195 -1.949 179 2HG1 VAL 22 HG12 VAL 22 13.435 -6.309 -0.637 180 3HG1 VAL 22 HG13 VAL 22 14.972 -6.448 -1.492 181 1HG2 VAL 22 HG21 VAL 22 15.983 -3.572 -1.489 182 2HG2 VAL 22 HG22 VAL 22 16.768 -5.098 -1.083 183 3HG2 VAL 22 HG23 VAL 22 16.751 -3.777 0.085 184 H ASP 23 HN ASP 23 12.011 -3.983 -1.487 185 HA ASP 23 HA ASP 23 12.259 -1.454 -2.934 186 1HB ASP 23 HB2 ASP 23 14.075 -3.321 -3.629 187 2HB ASP 23 HB1 ASP 23 12.735 -3.842 -4.652 188 H ALA 24 HN ALA 24 10.728 -1.589 -4.954 189 HA ALA 24 HA ALA 24 8.107 -2.245 -4.185 190 1HB ALA 24 HB1 ALA 24 9.346 -0.989 -6.270 191 2HB ALA 24 HB2 ALA 24 7.622 -1.362 -6.238 192 3HB ALA 24 HB3 ALA 24 8.743 -2.441 -7.069 193 H ALA 25 HN ALA 25 10.598 -4.327 -5.494 194 HA ALA 25 HA ALA 25 9.079 -6.441 -6.622 195 1HB ALA 25 HB1 ALA 25 11.505 -6.279 -6.776 196 2HB ALA 25 HB2 ALA 25 11.104 -7.796 -5.973 197 3HB ALA 25 HB3 ALA 25 11.662 -6.417 -5.025 198 H THR 26 HN THR 26 10.033 -5.870 -3.230 199 HA THR 26 HA THR 26 8.525 -8.235 -2.298 200 HB THR 26 HB THR 26 10.027 -6.028 -0.845 201 HG1 THR 26 HG1 THR 26 11.746 -7.331 -0.986 202 1HG2 THR 26 HG21 THR 26 8.313 -7.369 0.474 203 2HG2 THR 26 HG22 THR 26 9.968 -7.450 1.080 204 3HG2 THR 26 HG23 THR 26 9.303 -8.792 0.148 205 H ALA 27 HN ALA 27 8.272 -4.706 -2.337 206 HA ALA 27 HA ALA 27 6.046 -4.408 -0.551 207 1HB ALA 27 HB1 ALA 27 5.998 -2.198 -1.412 208 2HB ALA 27 HB2 ALA 27 6.571 -2.714 -2.998 209 3HB ALA 27 HB3 ALA 27 7.679 -2.691 -1.625 210 H GLU 28 HN GLU 28 3.900 -3.402 -1.651 211 HA GLU 28 HA GLU 28 1.936 -3.795 -2.909 212 1HB GLU 28 HB2 GLU 28 3.912 -3.712 -4.704 213 2HB GLU 28 HB1 GLU 28 3.507 -5.420 -4.882 214 1HG GLU 28 HG2 GLU 28 1.415 -4.976 -5.744 215 2HG GLU 28 HG1 GLU 28 1.249 -3.468 -4.845 216 H LYS 29 HN LYS 29 3.915 -6.784 -3.342 217 HA LYS 29 HA LYS 29 1.792 -8.642 -3.193 218 1HB LYS 29 HB2 LYS 29 4.680 -8.793 -2.271 219 2HB LYS 29 HB1 LYS 29 3.633 -10.201 -2.441 220 1HG LYS 29 HG2 LYS 29 4.135 -10.295 -4.633 221 2HG LYS 29 HG1 LYS 29 3.404 -8.707 -4.859 222 1HD LYS 29 HD2 LYS 29 5.672 -7.794 -3.952 223 2HD LYS 29 HD1 LYS 29 6.291 -9.398 -4.350 224 1HE LYS 29 HE2 LYS 29 4.653 -8.070 -6.456 225 2HE LYS 29 HE1 LYS 29 6.266 -7.393 -6.157 226 1HZ LYS 29 HZ1 LYS 29 7.242 -9.539 -6.397 227 2HZ LYS 29 HZ2 LYS 29 6.252 -9.283 -7.754 228 3HZ LYS 29 HZ3 LYS 29 5.726 -10.293 -6.493 229 H VAL 30 HN VAL 30 3.573 -7.037 -0.587 230 HA VAL 30 HA VAL 30 2.270 -8.585 1.545 231 HB VAL 30 HB VAL 30 4.022 -6.101 1.480 232 1HG1 VAL 30 HG11 VAL 30 2.880 -6.024 3.569 233 2HG1 VAL 30 HG12 VAL 30 4.433 -6.786 3.922 234 3HG1 VAL 30 HG13 VAL 30 2.979 -7.774 3.774 235 1HG2 VAL 30 HG21 VAL 30 5.411 -7.820 0.764 236 2HG2 VAL 30 HG22 VAL 30 4.513 -9.053 1.650 237 3HG2 VAL 30 HG23 VAL 30 5.603 -7.965 2.511 238 H PHE 31 HN PHE 31 2.173 -5.183 0.411 239 HA PHE 31 HA PHE 31 0.071 -4.319 2.153 240 1HB PHE 31 HB2 PHE 31 1.328 -3.427 -0.418 241 2HB PHE 31 HB1 PHE 31 -0.173 -2.650 0.080 242 HD1 PHE 31 HD1 PHE 31 0.010 -2.499 2.981 243 HD2 PHE 31 HD2 PHE 31 3.089 -1.970 0.034 244 HE1 PHE 31 HE1 PHE 31 1.276 -1.070 4.562 245 HE2 PHE 31 HE2 PHE 31 4.355 -0.544 1.616 246 HZ PHE 31 HZ PHE 31 3.451 -0.094 3.879 247 H LYS 32 HN LYS 32 0.044 -5.894 -1.015 248 HA LYS 32 HA LYS 32 -2.724 -5.513 -1.638 249 1HB LYS 32 HB2 LYS 32 -0.556 -7.461 -2.388 250 2HB LYS 32 HB1 LYS 32 -2.204 -7.750 -2.937 251 1HG LYS 32 HG2 LYS 32 -1.766 -5.025 -3.453 252 2HG LYS 32 HG1 LYS 32 -0.256 -5.811 -3.911 253 1HD LYS 32 HD2 LYS 32 -1.442 -6.062 -5.881 254 2HD LYS 32 HD1 LYS 32 -1.913 -7.549 -5.057 255 1HE LYS 32 HE2 LYS 32 -4.041 -6.717 -4.495 256 2HE LYS 32 HE1 LYS 32 -3.531 -5.027 -4.686 257 1HZ LYS 32 HZ1 LYS 32 -4.765 -5.691 -6.626 258 2HZ LYS 32 HZ2 LYS 32 -3.778 -7.057 -6.844 259 3HZ LYS 32 HZ3 LYS 32 -3.136 -5.498 -7.056 260 H GLN 33 HN GLN 33 -0.985 -8.059 0.144 261 HA GLN 33 HA GLN 33 -3.182 -9.817 0.623 262 1HB GLN 33 HB2 GLN 33 -0.770 -10.320 0.973 263 2HB GLN 33 HB1 GLN 33 -0.753 -9.197 2.334 264 1HG GLN 33 HG2 GLN 33 -1.030 -11.445 3.206 265 2HG GLN 33 HG1 GLN 33 -2.552 -10.578 3.414 266 1HE2 GLN 33 HE21 GLN 33 -4.402 -11.437 2.383 267 2HE2 GLN 33 HE22 GLN 33 -4.367 -12.770 1.333 268 H TYR 34 HN TYR 34 -2.128 -6.892 2.189 269 HA TYR 34 HA TYR 34 -3.834 -7.078 4.530 270 1HB TYR 34 HB2 TYR 34 -1.987 -5.669 4.786 271 2HB TYR 34 HB1 TYR 34 -2.089 -5.063 3.138 272 HD1 TYR 34 HD1 TYR 34 -3.325 -3.082 2.626 273 HD2 TYR 34 HD2 TYR 34 -3.587 -4.850 6.525 274 HE1 TYR 34 HE1 TYR 34 -4.506 -1.066 3.451 275 HE2 TYR 34 HE2 TYR 34 -4.773 -2.833 7.361 276 HH TYR 34 HH TYR 34 -6.242 -0.670 5.508 277 H ALA 35 HN ALA 35 -4.017 -5.073 1.564 278 HA ALA 35 HA ALA 35 -6.680 -4.098 2.026 279 1HB ALA 35 HB1 ALA 35 -5.519 -2.836 0.480 280 2HB ALA 35 HB2 ALA 35 -6.364 -3.900 -0.644 281 3HB ALA 35 HB3 ALA 35 -4.693 -4.244 -0.194 282 H ASN 36 HN ASN 36 -5.462 -6.756 -0.037 283 HA ASN 36 HA ASN 36 -7.899 -7.621 -1.147 284 1HB ASN 36 HB2 ASN 36 -5.523 -8.330 -1.676 285 2HB ASN 36 HB1 ASN 36 -5.591 -9.367 -0.251 286 1HD2 ASN 36 HD21 ASN 36 -5.444 -11.315 -1.612 287 2HD2 ASN 36 HD22 ASN 36 -6.773 -11.835 -2.531 288 H ASP 37 HN ASP 37 -6.577 -8.136 2.064 289 HA ASP 37 HA ASP 37 -8.478 -10.248 2.794 290 1HB ASP 37 HB2 ASP 37 -6.136 -9.960 3.678 291 2HB ASP 37 HB1 ASP 37 -6.681 -8.501 4.506 292 H ASN 38 HN ASN 38 -8.108 -6.757 3.386 293 HA ASN 38 HA ASN 38 -10.480 -6.580 5.092 294 1HB ASN 38 HB2 ASN 38 -8.724 -4.541 3.686 295 2HB ASN 38 HB1 ASN 38 -9.967 -4.132 4.869 296 1HD2 ASN 38 HD21 ASN 38 -6.729 -4.377 4.729 297 2HD2 ASN 38 HD22 ASN 38 -6.388 -4.987 6.276 298 H GLY 39 HN GLY 39 -9.664 -5.582 1.753 299 1HA GLY 39 HA2 GLY 39 -11.493 -6.118 0.064 300 2HA GLY 39 HA1 GLY 39 -12.596 -5.351 1.206 301 H ILE 40 HN ILE 40 -9.449 -4.537 -0.313 302 HA ILE 40 HA ILE 40 -10.590 -1.829 -0.925 303 HB ILE 40 HB ILE 40 -7.810 -2.667 -0.037 304 1HG1 ILE 40 HG12 ILE 40 -9.881 -0.868 1.260 305 2HG1 ILE 40 HG11 ILE 40 -9.591 -2.548 1.713 306 1HG2 ILE 40 HG21 ILE 40 -8.870 -0.104 -1.191 307 2HG2 ILE 40 HG22 ILE 40 -7.300 -0.870 -1.444 308 3HG2 ILE 40 HG23 ILE 40 -7.636 -0.021 0.066 309 1HD1 ILE 40 HD11 ILE 40 -7.515 -0.339 1.805 310 2HD1 ILE 40 HD12 ILE 40 -7.273 -2.011 2.312 311 3HD1 ILE 40 HD13 ILE 40 -8.387 -0.971 3.202 312 H ASP 41 HN ASP 41 -11.118 -3.260 -2.969 313 HA ASP 41 HA ASP 41 -8.812 -3.661 -4.785 314 1HB ASP 41 HB2 ASP 41 -11.683 -4.397 -4.587 315 2HB ASP 41 HB1 ASP 41 -11.071 -4.171 -6.226 316 H GLY 42 HN GLY 42 -8.890 -1.023 -4.158 317 1HA GLY 42 HA2 GLY 42 -10.596 0.502 -5.976 318 2HA GLY 42 HA1 GLY 42 -9.352 1.156 -4.908 319 H GLU 43 HN GLU 43 -8.168 2.362 -6.320 320 HA GLU 43 HA GLU 43 -7.034 0.983 -8.683 321 1HB GLU 43 HB2 GLU 43 -6.861 3.268 -9.656 322 2HB GLU 43 HB1 GLU 43 -8.521 2.861 -9.230 323 1HG GLU 43 HG2 GLU 43 -7.357 4.030 -6.912 324 2HG GLU 43 HG1 GLU 43 -6.892 5.044 -8.274 325 H TRP 44 HN TRP 44 -5.123 0.210 -7.863 326 HA TRP 44 HA TRP 44 -3.539 1.560 -5.912 327 1HB TRP 44 HB2 TRP 44 -3.141 -0.750 -7.796 328 2HB TRP 44 HB1 TRP 44 -1.855 -0.220 -6.704 329 HD1 TRP 44 HD1 TRP 44 -5.604 -1.153 -6.502 330 HE1 TRP 44 HE1 TRP 44 -6.019 -2.287 -4.222 331 HE3 TRP 44 HE3 TRP 44 -0.929 -0.805 -4.472 332 HZ2 TRP 44 HZ2 TRP 44 -4.568 -2.933 -1.853 333 HZ3 TRP 44 HZ3 TRP 44 -0.474 -1.691 -2.203 334 HH2 TRP 44 HH2 TRP 44 -2.287 -2.761 -0.892 335 H THR 45 HN THR 45 -1.719 2.764 -6.099 336 HA THR 45 HA THR 45 -0.460 3.301 -8.707 337 HB THR 45 HB THR 45 -0.829 5.807 -8.257 338 HG1 THR 45 HG1 THR 45 -2.803 6.136 -7.026 339 1HG2 THR 45 HG21 THR 45 -2.659 5.796 -9.662 340 2HG2 THR 45 HG22 THR 45 -3.477 4.521 -8.759 341 3HG2 THR 45 HG23 THR 45 -2.147 4.118 -9.845 342 H TYR 46 HN TYR 46 1.695 3.545 -8.304 343 HA TYR 46 HA TYR 46 2.548 3.926 -5.471 344 1HB TYR 46 HB2 TYR 46 3.366 1.908 -6.422 345 2HB TYR 46 HB1 TYR 46 3.695 2.666 -7.973 346 HD1 TYR 46 HD1 TYR 46 5.004 1.911 -4.651 347 HD2 TYR 46 HD2 TYR 46 5.638 4.230 -8.210 348 HE1 TYR 46 HE1 TYR 46 7.344 2.296 -3.979 349 HE2 TYR 46 HE2 TYR 46 7.990 4.620 -7.534 350 HH TYR 46 HH TYR 46 9.599 2.862 -5.403 351 H ASP 47 HN ASP 47 4.040 5.570 -4.945 352 HA ASP 47 HA ASP 47 4.542 7.628 -7.071 353 1HB ASP 47 HB2 ASP 47 3.617 7.688 -4.240 354 2HB ASP 47 HB1 ASP 47 4.699 8.989 -4.739 355 H ASP 48 HN ASP 48 6.682 7.615 -7.613 356 HA ASP 48 HA ASP 48 8.745 6.393 -5.988 357 1HB ASP 48 HB2 ASP 48 8.549 6.730 -8.547 358 2HB ASP 48 HB1 ASP 48 9.149 8.361 -8.244 359 H ALA 49 HN ALA 49 7.398 9.613 -6.141 360 HA ALA 49 HA ALA 49 9.513 11.246 -5.295 361 1HB ALA 49 HB1 ALA 49 6.695 11.440 -4.229 362 2HB ALA 49 HB2 ALA 49 7.060 11.757 -5.925 363 3HB ALA 49 HB3 ALA 49 7.788 12.753 -4.665 364 H THR 50 HN THR 50 7.371 9.191 -3.322 365 HA THR 50 HA THR 50 9.369 9.317 -1.111 366 HB THR 50 HB THR 50 7.507 9.809 0.469 367 HG1 THR 50 HG1 THR 50 5.836 8.965 -0.826 368 1HG2 THR 50 HG21 THR 50 7.612 11.816 -1.797 369 2HG2 THR 50 HG22 THR 50 8.888 11.630 -0.593 370 3HG2 THR 50 HG23 THR 50 7.276 12.147 -0.097 371 H LYS 51 HN LYS 51 8.012 7.293 -3.144 372 HA LYS 51 HA LYS 51 7.332 5.034 -3.106 373 1HB LYS 51 HB2 LYS 51 9.403 5.562 -1.148 374 2HB LYS 51 HB1 LYS 51 8.374 4.245 -0.588 375 1HG LYS 51 HG2 LYS 51 9.783 3.002 -1.899 376 2HG LYS 51 HG1 LYS 51 8.658 3.503 -3.165 377 1HD LYS 51 HD2 LYS 51 10.892 3.962 -3.960 378 2HD LYS 51 HD1 LYS 51 10.144 5.510 -3.562 379 1HE LYS 51 HE2 LYS 51 11.561 5.886 -1.793 380 2HE LYS 51 HE1 LYS 51 11.623 4.168 -1.351 381 1HZ LYS 51 HZ1 LYS 51 12.919 3.760 -3.376 382 2HZ LYS 51 HZ2 LYS 51 13.718 4.827 -2.323 383 3HZ LYS 51 HZ3 LYS 51 12.932 5.424 -3.706 384 H THR 52 HN THR 52 5.037 5.360 -2.858 385 HA THR 52 HA THR 52 3.980 4.408 -0.278 386 HB THR 52 HB THR 52 3.270 7.140 -1.393 387 HG1 THR 52 HG1 THR 52 4.677 6.442 0.965 388 1HG2 THR 52 HG21 THR 52 1.538 5.698 -0.078 389 2HG2 THR 52 HG22 THR 52 1.788 7.374 0.410 390 3HG2 THR 52 HG23 THR 52 2.544 6.068 1.323 391 H PHE 53 HN PHE 53 2.827 2.737 -1.238 392 HA PHE 53 HA PHE 53 1.471 2.838 -3.765 393 1HB PHE 53 HB2 PHE 53 1.100 1.169 -1.252 394 2HB PHE 53 HB1 PHE 53 0.295 0.812 -2.780 395 HD1 PHE 53 HD1 PHE 53 1.548 0.004 -4.713 396 HD2 PHE 53 HD2 PHE 53 3.531 0.905 -1.011 397 HE1 PHE 53 HE1 PHE 53 3.573 -1.189 -5.505 398 HE2 PHE 53 HE2 PHE 53 5.554 -0.285 -1.802 399 HZ PHE 53 HZ PHE 53 5.576 -1.332 -4.051 400 H THR 54 HN THR 54 -0.648 3.537 -4.268 401 HA THR 54 HA THR 54 -2.278 4.569 -1.955 402 HB THR 54 HB THR 54 -1.895 5.861 -4.666 403 HG1 THR 54 HG1 THR 54 -0.107 6.557 -3.869 404 1HG2 THR 54 HG21 THR 54 -2.826 7.239 -2.174 405 2HG2 THR 54 HG22 THR 54 -3.974 6.269 -3.097 406 3HG2 THR 54 HG23 THR 54 -3.160 7.635 -3.860 407 H VAL 55 HN VAL 55 -3.966 3.032 -1.967 408 HA VAL 55 HA VAL 55 -5.374 2.549 -4.522 409 HB VAL 55 HB VAL 55 -4.627 0.572 -3.159 410 1HG1 VAL 55 HG11 VAL 55 -6.741 1.441 -1.202 411 2HG1 VAL 55 HG12 VAL 55 -5.023 1.748 -0.939 412 3HG1 VAL 55 HG13 VAL 55 -5.615 0.086 -1.040 413 1HG2 VAL 55 HG21 VAL 55 -6.701 -0.642 -3.331 414 2HG2 VAL 55 HG22 VAL 55 -6.644 0.516 -4.660 415 3HG2 VAL 55 HG23 VAL 55 -7.633 0.850 -3.239 416 H THR 56 HN THR 56 -7.830 2.509 -4.284 417 HA THR 56 HA THR 56 -9.015 4.111 -2.129 418 HB THR 56 HB THR 56 -8.756 5.083 -4.989 419 HG1 THR 56 HG1 THR 56 -7.254 6.368 -4.237 420 1HG2 THR 56 HG21 THR 56 -9.771 6.963 -2.980 421 2HG2 THR 56 HG22 THR 56 -10.849 5.592 -3.239 422 3HG2 THR 56 HG23 THR 56 -10.381 6.615 -4.597 423 H GLU 57 HN GLU 57 -10.853 2.897 -1.800 424 HA GLU 57 HA GLU 57 -12.182 1.547 -4.088 425 1HB GLU 57 HB2 GLU 57 -11.564 0.670 -1.656 426 2HB GLU 57 HB1 GLU 57 -13.102 1.425 -1.236 427 1HG GLU 57 HG2 GLU 57 -13.915 0.118 -3.419 428 2HG GLU 57 HG1 GLU 57 -12.564 -0.932 -2.990 Start of MODEL 21 1 1H MET 1 HT1 MET 1 16.847 -0.588 4.689 2 2H MET 1 HT2 MET 1 17.885 -0.675 3.347 3 3H MET 1 HT3 MET 1 17.775 -1.983 4.426 4 HA MET 1 HA MET 1 16.542 -2.375 2.328 5 1HB MET 1 HB2 MET 1 15.393 -2.283 5.098 6 2HB MET 1 HB1 MET 1 14.355 -2.810 3.771 7 1HG MET 1 HG2 MET 1 17.110 -3.971 4.217 8 2HG MET 1 HG1 MET 1 15.669 -4.650 4.975 9 1HE MET 1 HE1 MET 1 18.022 -5.262 2.785 10 2HE MET 1 HE2 MET 1 17.606 -4.149 1.485 11 3HE MET 1 HE3 MET 1 17.406 -5.883 1.247 12 H THR 2 HN THR 2 13.905 -1.998 1.936 13 HA THR 2 HA THR 2 13.615 0.968 1.578 14 HB THR 2 HB THR 2 12.520 -1.346 -0.055 15 HG1 THR 2 HG1 THR 2 14.231 -1.107 -1.293 16 1HG2 THR 2 HG21 THR 2 11.144 0.692 -0.167 17 2HG2 THR 2 HG22 THR 2 11.981 0.411 -1.696 18 3HG2 THR 2 HG23 THR 2 12.577 1.637 -0.576 19 H THR 3 HN THR 3 12.148 1.683 3.086 20 HA THR 3 HA THR 3 9.982 -0.058 4.016 21 HB THR 3 HB THR 3 10.636 2.781 4.816 22 HG1 THR 3 HG1 THR 3 12.157 1.986 6.141 23 1HG2 THR 3 HG21 THR 3 8.521 1.332 5.546 24 2HG2 THR 3 HG22 THR 3 9.357 2.377 6.694 25 3HG2 THR 3 HG23 THR 3 9.688 0.645 6.675 26 H PHE 4 HN PHE 4 8.335 -0.103 2.467 27 HA PHE 4 HA PHE 4 7.524 2.338 1.032 28 1HB PHE 4 HB2 PHE 4 6.589 -0.539 1.146 29 2HB PHE 4 HB1 PHE 4 5.792 0.673 0.149 30 HD1 PHE 4 HD1 PHE 4 6.997 1.733 -1.741 31 HD2 PHE 4 HD2 PHE 4 8.757 -1.415 0.592 32 HE1 PHE 4 HE1 PHE 4 8.702 1.378 -3.506 33 HE2 PHE 4 HE2 PHE 4 10.463 -1.768 -1.171 34 HZ PHE 4 HZ PHE 4 10.434 -0.373 -3.220 35 H LYS 5 HN LYS 5 5.096 2.862 1.041 36 HA LYS 5 HA LYS 5 3.814 2.393 3.702 37 1HB LYS 5 HB2 LYS 5 5.203 4.571 3.441 38 2HB LYS 5 HB1 LYS 5 3.907 5.102 2.368 39 1HG LYS 5 HG2 LYS 5 2.295 4.485 4.267 40 2HG LYS 5 HG1 LYS 5 3.722 4.387 5.299 41 1HD LYS 5 HD2 LYS 5 3.252 6.825 3.598 42 2HD LYS 5 HD1 LYS 5 2.436 6.656 5.152 43 1HE LYS 5 HE2 LYS 5 4.351 7.616 5.976 44 2HE LYS 5 HE1 LYS 5 5.019 5.979 5.820 45 1HZ LYS 5 HZ1 LYS 5 6.416 7.492 4.611 46 2HZ LYS 5 HZ2 LYS 5 5.085 8.129 3.769 47 3HZ LYS 5 HZ3 LYS 5 5.580 6.528 3.493 48 H LEU 6 HN LEU 6 1.527 2.342 3.578 49 HA LEU 6 HA LEU 6 0.355 2.665 0.832 50 1HB LEU 6 HB2 LEU 6 0.557 0.316 1.508 51 2HB LEU 6 HB1 LEU 6 -0.246 0.662 3.038 52 HG LEU 6 HG LEU 6 -2.235 1.484 1.599 53 1HD1 LEU 6 HD11 LEU 6 -2.378 0.690 -0.653 54 2HD1 LEU 6 HD12 LEU 6 -0.906 -0.268 -0.473 55 3HD1 LEU 6 HD13 LEU 6 -0.814 1.492 -0.511 56 1HD2 LEU 6 HD21 LEU 6 -2.604 -0.502 2.785 57 2HD2 LEU 6 HD22 LEU 6 -1.335 -1.368 1.916 58 3HD2 LEU 6 HD23 LEU 6 -2.862 -1.005 1.113 59 H ILE 7 HN ILE 7 -1.447 3.962 0.714 60 HA ILE 7 HA ILE 7 -2.405 5.272 3.182 61 HB ILE 7 HB ILE 7 -1.909 6.245 0.752 62 1HG1 ILE 7 HG12 ILE 7 -3.812 7.939 1.196 63 2HG1 ILE 7 HG11 ILE 7 -4.152 6.964 2.627 64 1HG2 ILE 7 HG21 ILE 7 -3.702 6.295 -0.770 65 2HG2 ILE 7 HG22 ILE 7 -4.860 5.732 0.432 66 3HG2 ILE 7 HG23 ILE 7 -3.668 4.618 -0.232 67 1HD1 ILE 7 HD11 ILE 7 -1.331 7.839 2.085 68 2HD1 ILE 7 HD12 ILE 7 -2.110 7.477 3.625 69 3HD1 ILE 7 HD13 ILE 7 -2.470 8.987 2.790 70 H ILE 8 HN ILE 8 -4.731 5.161 3.760 71 HA ILE 8 HA ILE 8 -6.025 2.652 2.744 72 HB ILE 8 HB ILE 8 -6.085 3.932 5.494 73 1HG1 ILE 8 HG12 ILE 8 -3.905 2.900 4.943 74 2HG1 ILE 8 HG11 ILE 8 -4.748 1.966 6.175 75 1HG2 ILE 8 HG21 ILE 8 -7.411 2.106 6.215 76 2HG2 ILE 8 HG22 ILE 8 -7.110 1.192 4.739 77 3HG2 ILE 8 HG23 ILE 8 -8.149 2.614 4.698 78 1HD1 ILE 8 HD11 ILE 8 -3.814 0.445 4.517 79 2HD1 ILE 8 HD12 ILE 8 -4.607 1.328 3.213 80 3HD1 ILE 8 HD13 ILE 8 -5.572 0.429 4.384 81 H ASN 9 HN ASN 9 -6.976 4.258 1.121 82 HA ASN 9 HA ASN 9 -9.105 6.001 2.256 83 1HB ASN 9 HB2 ASN 9 -7.514 5.765 -0.228 84 2HB ASN 9 HB1 ASN 9 -9.198 6.212 -0.487 85 1HD2 ASN 9 HD21 ASN 9 -7.266 8.129 -1.089 86 2HD2 ASN 9 HD22 ASN 9 -7.290 9.368 0.071 87 H GLY 10 HN GLY 10 -9.563 3.317 2.710 88 1HA GLY 10 HA2 GLY 10 -11.591 2.547 0.653 89 2HA GLY 10 HA1 GLY 10 -10.748 1.394 1.695 90 H LYS 11 HN LYS 11 -13.642 1.769 1.440 91 HA LYS 11 HA LYS 11 -14.675 3.192 3.735 92 1HB LYS 11 HB2 LYS 11 -15.850 2.432 1.592 93 2HB LYS 11 HB1 LYS 11 -15.909 0.824 2.314 94 1HG LYS 11 HG2 LYS 11 -16.910 2.135 4.383 95 2HG LYS 11 HG1 LYS 11 -17.325 3.328 3.152 96 1HD LYS 11 HD2 LYS 11 -18.693 1.810 1.968 97 2HD LYS 11 HD1 LYS 11 -17.984 0.410 2.775 98 1HE LYS 11 HE2 LYS 11 -19.206 0.752 4.739 99 2HE LYS 11 HE1 LYS 11 -19.420 2.485 4.419 100 1HZ LYS 11 HZ1 LYS 11 -20.782 1.908 2.491 101 2HZ LYS 11 HZ2 LYS 11 -21.455 1.292 3.924 102 3HZ LYS 11 HZ3 LYS 11 -20.625 0.260 2.859 103 H THR 12 HN THR 12 -12.923 0.244 3.480 104 HA THR 12 HA THR 12 -14.168 -1.046 5.817 105 HB THR 12 HB THR 12 -11.675 -1.709 4.217 106 HG1 THR 12 HG1 THR 12 -12.960 -2.546 2.775 107 1HG2 THR 12 HG21 THR 12 -13.317 -3.127 6.283 108 2HG2 THR 12 HG22 THR 12 -11.565 -3.084 6.084 109 3HG2 THR 12 HG23 THR 12 -12.551 -4.074 5.008 110 H LEU 13 HN LEU 13 -11.153 0.685 4.997 111 HA LEU 13 HA LEU 13 -10.634 0.972 7.937 112 1HB LEU 13 HB2 LEU 13 -8.835 -0.074 5.749 113 2HB LEU 13 HB1 LEU 13 -8.167 0.594 7.238 114 HG LEU 13 HG LEU 13 -10.331 -1.485 7.386 115 1HD1 LEU 13 HD11 LEU 13 -8.827 -3.269 7.142 116 2HD1 LEU 13 HD12 LEU 13 -7.416 -2.236 7.368 117 3HD1 LEU 13 HD13 LEU 13 -8.325 -2.169 5.858 118 1HD2 LEU 13 HD21 LEU 13 -7.955 -1.302 9.190 119 2HD2 LEU 13 HD22 LEU 13 -9.629 -1.700 9.578 120 3HD2 LEU 13 HD23 LEU 13 -9.164 -0.022 9.300 121 H LYS 14 HN LYS 14 -8.828 2.672 8.266 122 HA LYS 14 HA LYS 14 -8.648 4.719 6.128 123 1HB LYS 14 HB2 LYS 14 -10.453 4.772 8.436 124 2HB LYS 14 HB1 LYS 14 -9.403 6.187 8.384 125 1HG LYS 14 HG2 LYS 14 -10.189 6.842 6.257 126 2HG LYS 14 HG1 LYS 14 -10.862 5.247 5.918 127 1HD LYS 14 HD2 LYS 14 -12.699 6.728 6.455 128 2HD LYS 14 HD1 LYS 14 -12.487 5.614 7.807 129 1HE LYS 14 HE2 LYS 14 -12.669 7.713 8.880 130 2HE LYS 14 HE1 LYS 14 -10.912 7.493 8.761 131 1HZ LYS 14 HZ1 LYS 14 -11.452 9.636 7.875 132 2HZ LYS 14 HZ2 LYS 14 -12.656 8.981 6.872 133 3HZ LYS 14 HZ3 LYS 14 -11.020 8.630 6.579 134 H GLY 15 HN GLY 15 -6.688 5.784 6.266 135 1HA GLY 15 HA2 GLY 15 -5.068 6.889 7.903 136 2HA GLY 15 HA1 GLY 15 -5.064 5.336 8.739 137 H GLU 16 HN GLU 16 -2.866 4.869 8.390 138 HA GLU 16 HA GLU 16 -2.188 4.045 5.610 139 1HB GLU 16 HB2 GLU 16 -0.036 5.276 5.788 140 2HB GLU 16 HB1 GLU 16 -1.417 6.367 5.894 141 1HG GLU 16 HG2 GLU 16 -1.097 5.781 8.521 142 2HG GLU 16 HG1 GLU 16 0.571 5.622 7.973 143 H THR 17 HN THR 17 0.146 2.964 5.748 144 HA THR 17 HA THR 17 0.762 1.679 8.325 145 HB THR 17 HB THR 17 -0.292 0.103 5.952 146 HG1 THR 17 HG1 THR 17 -1.416 0.570 8.513 147 1HG2 THR 17 HG21 THR 17 -0.062 -1.840 7.343 148 2HG2 THR 17 HG22 THR 17 0.348 -0.858 8.749 149 3HG2 THR 17 HG23 THR 17 1.481 -0.987 7.403 150 H THR 18 HN THR 18 2.811 0.570 8.239 151 HA THR 18 HA THR 18 4.361 0.978 5.698 152 HB THR 18 HB THR 18 6.289 1.319 7.366 153 HG1 THR 18 HG1 THR 18 5.756 0.983 9.351 154 1HG2 THR 18 HG21 THR 18 3.975 3.154 6.902 155 2HG2 THR 18 HG22 THR 18 5.649 3.303 6.366 156 3HG2 THR 18 HG23 THR 18 5.224 3.658 8.040 157 H THR 19 HN THR 19 6.227 -0.546 5.498 158 HA THR 19 HA THR 19 6.096 -3.017 7.136 159 HB THR 19 HB THR 19 4.424 -3.297 5.345 160 HG1 THR 19 HG1 THR 19 5.105 -5.258 5.209 161 1HG2 THR 19 HG21 THR 19 6.756 -2.738 3.488 162 2HG2 THR 19 HG22 THR 19 5.346 -1.707 3.724 163 3HG2 THR 19 HG23 THR 19 5.163 -3.292 2.974 164 H GLU 20 HN GLU 20 7.773 -4.636 5.777 165 HA GLU 20 HA GLU 20 10.217 -2.979 5.245 166 1HB GLU 20 HB2 GLU 20 11.464 -4.812 6.384 167 2HB GLU 20 HB1 GLU 20 10.288 -4.045 7.448 168 1HG GLU 20 HG2 GLU 20 8.951 -6.179 6.090 169 2HG GLU 20 HG1 GLU 20 10.479 -6.811 6.697 170 H ALA 21 HN ALA 21 10.173 -3.133 2.984 171 HA ALA 21 HA ALA 21 10.419 -5.898 1.846 172 1HB ALA 21 HB1 ALA 21 9.341 -3.693 0.169 173 2HB ALA 21 HB2 ALA 21 8.307 -4.218 1.499 174 3HB ALA 21 HB3 ALA 21 8.825 -5.377 0.274 175 H VAL 22 HN VAL 22 11.971 -6.095 0.163 176 HA VAL 22 HA VAL 22 14.241 -4.355 0.259 177 HB VAL 22 HB VAL 22 14.265 -6.748 -0.385 178 1HG1 VAL 22 HG11 VAL 22 12.074 -6.407 -1.787 179 2HG1 VAL 22 HG12 VAL 22 13.269 -7.581 -2.334 180 3HG1 VAL 22 HG13 VAL 22 13.186 -5.989 -3.089 181 1HG2 VAL 22 HG21 VAL 22 15.622 -6.414 -2.569 182 2HG2 VAL 22 HG22 VAL 22 16.191 -5.597 -1.114 183 3HG2 VAL 22 HG23 VAL 22 15.298 -4.696 -2.339 184 H ASP 23 HN ASP 23 11.463 -4.517 -1.942 185 HA ASP 23 HA ASP 23 11.788 -1.745 -2.750 186 1HB ASP 23 HB2 ASP 23 13.541 -3.325 -3.974 187 2HB ASP 23 HB1 ASP 23 12.156 -3.684 -5.005 188 H ALA 24 HN ALA 24 10.297 -1.533 -4.938 189 HA ALA 24 HA ALA 24 7.633 -2.018 -4.205 190 1HB ALA 24 HB1 ALA 24 8.211 -0.398 -5.875 191 2HB ALA 24 HB2 ALA 24 7.237 -1.619 -6.695 192 3HB ALA 24 HB3 ALA 24 8.991 -1.621 -6.878 193 H ALA 25 HN ALA 25 9.899 -4.163 -5.806 194 HA ALA 25 HA ALA 25 8.093 -6.009 -7.018 195 1HB ALA 25 HB1 ALA 25 10.070 -7.563 -6.761 196 2HB ALA 25 HB2 ALA 25 10.839 -6.325 -5.767 197 3HB ALA 25 HB3 ALA 25 10.479 -5.997 -7.462 198 H THR 26 HN THR 26 9.099 -5.596 -3.671 199 HA THR 26 HA THR 26 7.513 -8.022 -2.897 200 HB THR 26 HB THR 26 9.551 -6.536 -1.232 201 HG1 THR 26 HG1 THR 26 11.017 -8.146 -2.064 202 1HG2 THR 26 HG21 THR 26 9.775 -9.149 -0.603 203 2HG2 THR 26 HG22 THR 26 8.089 -9.120 -1.121 204 3HG2 THR 26 HG23 THR 26 8.627 -8.072 0.192 205 H ALA 27 HN ALA 27 7.878 -4.556 -2.478 206 HA ALA 27 HA ALA 27 6.387 -4.124 -0.096 207 1HB ALA 27 HB1 ALA 27 6.175 -2.308 -2.479 208 2HB ALA 27 HB2 ALA 27 7.756 -2.577 -1.745 209 3HB ALA 27 HB3 ALA 27 6.442 -1.895 -0.786 210 H GLU 28 HN GLU 28 5.159 -3.753 -3.447 211 HA GLU 28 HA GLU 28 2.394 -3.575 -2.789 212 1HB GLU 28 HB2 GLU 28 3.828 -3.259 -5.003 213 2HB GLU 28 HB1 GLU 28 3.347 -4.933 -5.292 214 1HG GLU 28 HG2 GLU 28 0.947 -4.089 -4.699 215 2HG GLU 28 HG1 GLU 28 1.608 -2.489 -5.042 216 H LYS 29 HN LYS 29 4.465 -6.415 -3.307 217 HA LYS 29 HA LYS 29 2.465 -8.430 -3.484 218 1HB LYS 29 HB2 LYS 29 5.047 -8.480 -3.743 219 2HB LYS 29 HB1 LYS 29 5.073 -8.739 -1.999 220 1HG LYS 29 HG2 LYS 29 3.816 -10.768 -2.188 221 2HG LYS 29 HG1 LYS 29 3.423 -10.443 -3.877 222 1HD LYS 29 HD2 LYS 29 6.297 -10.669 -3.017 223 2HD LYS 29 HD1 LYS 29 5.352 -12.124 -3.334 224 1HE LYS 29 HE2 LYS 29 4.724 -10.602 -5.531 225 2HE LYS 29 HE1 LYS 29 6.411 -10.132 -5.240 226 1HZ LYS 29 HZ1 LYS 29 6.458 -12.110 -6.531 227 2HZ LYS 29 HZ2 LYS 29 5.328 -12.882 -5.524 228 3HZ LYS 29 HZ3 LYS 29 6.893 -12.551 -4.953 229 H VAL 30 HN VAL 30 3.897 -6.827 -0.664 230 HA VAL 30 HA VAL 30 2.411 -8.491 1.260 231 HB VAL 30 HB VAL 30 4.147 -6.004 1.494 232 1HG1 VAL 30 HG11 VAL 30 2.913 -7.820 3.576 233 2HG1 VAL 30 HG12 VAL 30 2.803 -6.062 3.462 234 3HG1 VAL 30 HG13 VAL 30 4.328 -6.823 3.919 235 1HG2 VAL 30 HG21 VAL 30 5.854 -7.617 2.278 236 2HG2 VAL 30 HG22 VAL 30 5.326 -7.993 0.637 237 3HG2 VAL 30 HG23 VAL 30 4.723 -8.941 1.997 238 H PHE 31 HN PHE 31 2.412 -5.059 0.229 239 HA PHE 31 HA PHE 31 0.181 -4.227 1.813 240 1HB PHE 31 HB2 PHE 31 1.590 -3.288 -0.669 241 2HB PHE 31 HB1 PHE 31 0.096 -2.489 -0.183 242 HD1 PHE 31 HD1 PHE 31 0.161 -2.420 2.701 243 HD2 PHE 31 HD2 PHE 31 3.406 -1.953 -0.075 244 HE1 PHE 31 HE1 PHE 31 1.412 -1.103 4.387 245 HE2 PHE 31 HE2 PHE 31 4.657 -0.639 1.614 246 HZ PHE 31 HZ PHE 31 3.662 -0.215 3.844 247 H LYS 32 HN LYS 32 0.378 -5.648 -1.440 248 HA LYS 32 HA LYS 32 -2.364 -5.294 -2.190 249 1HB LYS 32 HB2 LYS 32 -0.491 -5.947 -3.697 250 2HB LYS 32 HB1 LYS 32 -0.399 -7.509 -2.882 251 1HG LYS 32 HG2 LYS 32 -2.574 -8.142 -3.643 252 2HG LYS 32 HG1 LYS 32 -2.937 -6.502 -4.182 253 1HD LYS 32 HD2 LYS 32 -0.531 -7.299 -5.495 254 2HD LYS 32 HD1 LYS 32 -1.673 -8.633 -5.650 255 1HE LYS 32 HE2 LYS 32 -2.604 -5.817 -6.186 256 2HE LYS 32 HE1 LYS 32 -1.743 -6.727 -7.444 257 1HZ LYS 32 HZ1 LYS 32 -3.290 -8.602 -6.965 258 2HZ LYS 32 HZ2 LYS 32 -4.044 -7.243 -7.650 259 3HZ LYS 32 HZ3 LYS 32 -4.194 -7.553 -5.986 260 H GLN 33 HN GLN 33 -0.671 -8.017 -0.610 261 HA GLN 33 HA GLN 33 -2.964 -9.693 -0.240 262 1HB GLN 33 HB2 GLN 33 -0.446 -10.190 -0.041 263 2HB GLN 33 HB1 GLN 33 -0.563 -9.511 1.582 264 1HG GLN 33 HG2 GLN 33 -0.869 -11.875 1.826 265 2HG GLN 33 HG1 GLN 33 -2.468 -11.151 1.996 266 1HE2 GLN 33 HE21 GLN 33 -3.617 -13.024 1.187 267 2HE2 GLN 33 HE22 GLN 33 -3.516 -13.509 -0.437 268 H TYR 34 HN TYR 34 -1.581 -7.079 1.605 269 HA TYR 34 HA TYR 34 -3.149 -7.354 4.009 270 1HB TYR 34 HB2 TYR 34 -1.169 -6.035 4.083 271 2HB TYR 34 HB1 TYR 34 -1.593 -5.160 2.617 272 HD1 TYR 34 HD1 TYR 34 -2.278 -5.519 6.231 273 HD2 TYR 34 HD2 TYR 34 -3.073 -3.254 2.674 274 HE1 TYR 34 HE1 TYR 34 -3.313 -3.726 7.604 275 HE2 TYR 34 HE2 TYR 34 -4.109 -1.462 4.037 276 HH TYR 34 HH TYR 34 -4.878 -1.898 7.358 277 H ALA 35 HN ALA 35 -3.503 -5.191 1.175 278 HA ALA 35 HA ALA 35 -6.068 -4.127 1.912 279 1HB ALA 35 HB1 ALA 35 -4.307 -4.282 -0.496 280 2HB ALA 35 HB2 ALA 35 -4.994 -2.862 0.302 281 3HB ALA 35 HB3 ALA 35 -5.997 -3.846 -0.766 282 H ASN 36 HN ASN 36 -5.140 -6.793 -0.286 283 HA ASN 36 HA ASN 36 -7.724 -7.522 -1.171 284 1HB ASN 36 HB2 ASN 36 -5.509 -8.292 -2.055 285 2HB ASN 36 HB1 ASN 36 -5.336 -9.308 -0.624 286 1HD2 ASN 36 HD21 ASN 36 -8.037 -8.657 -2.944 287 2HD2 ASN 36 HD22 ASN 36 -8.392 -10.296 -3.208 288 H ASP 37 HN ASP 37 -5.937 -8.448 1.751 289 HA ASP 37 HA ASP 37 -7.744 -10.485 2.678 290 1HB ASP 37 HB2 ASP 37 -5.403 -10.088 3.451 291 2HB ASP 37 HB1 ASP 37 -5.937 -8.595 4.226 292 H ASN 38 HN ASN 38 -7.411 -7.055 3.677 293 HA ASN 38 HA ASN 38 -9.812 -7.045 5.291 294 1HB ASN 38 HB2 ASN 38 -8.123 -4.877 4.002 295 2HB ASN 38 HB1 ASN 38 -9.411 -4.551 5.163 296 1HD2 ASN 38 HD21 ASN 38 -6.145 -5.837 4.807 297 2HD2 ASN 38 HD22 ASN 38 -5.836 -6.010 6.467 298 H GLY 39 HN GLY 39 -9.084 -5.747 2.032 299 1HA GLY 39 HA2 GLY 39 -10.921 -6.313 0.336 300 2HA GLY 39 HA1 GLY 39 -12.025 -5.619 1.522 301 H ILE 40 HN ILE 40 -8.860 -4.593 0.167 302 HA ILE 40 HA ILE 40 -10.132 -1.941 -0.431 303 HB ILE 40 HB ILE 40 -7.311 -2.646 0.455 304 1HG1 ILE 40 HG12 ILE 40 -9.530 -1.077 1.811 305 2HG1 ILE 40 HG11 ILE 40 -9.083 -2.735 2.207 306 1HG2 ILE 40 HG21 ILE 40 -8.569 -0.071 -0.500 307 2HG2 ILE 40 HG22 ILE 40 -7.003 -0.758 -0.945 308 3HG2 ILE 40 HG23 ILE 40 -7.234 -0.038 0.650 309 1HD1 ILE 40 HD11 ILE 40 -6.984 -0.582 2.249 310 2HD1 ILE 40 HD12 ILE 40 -7.037 -2.099 3.146 311 3HD1 ILE 40 HD13 ILE 40 -8.085 -0.758 3.615 312 H ASP 41 HN ASP 41 -10.590 -3.240 -2.532 313 HA ASP 41 HA ASP 41 -8.235 -3.450 -4.339 314 1HB ASP 41 HB2 ASP 41 -11.149 -4.257 -4.398 315 2HB ASP 41 HB1 ASP 41 -10.165 -4.309 -5.862 316 H GLY 42 HN GLY 42 -8.696 -0.849 -3.547 317 1HA GLY 42 HA2 GLY 42 -10.512 0.575 -5.293 318 2HA GLY 42 HA1 GLY 42 -9.282 1.294 -4.255 319 H GLU 43 HN GLU 43 -8.274 2.650 -5.651 320 HA GLU 43 HA GLU 43 -7.224 1.545 -8.190 321 1HB GLU 43 HB2 GLU 43 -7.922 4.326 -7.225 322 2HB GLU 43 HB1 GLU 43 -7.043 4.045 -8.728 323 1HG GLU 43 HG2 GLU 43 -9.689 2.708 -8.135 324 2HG GLU 43 HG1 GLU 43 -9.583 4.274 -8.940 325 H TRP 44 HN TRP 44 -5.136 0.886 -7.862 326 HA TRP 44 HA TRP 44 -3.512 2.053 -5.768 327 1HB TRP 44 HB2 TRP 44 -3.234 -0.149 -7.785 328 2HB TRP 44 HB1 TRP 44 -1.864 0.341 -6.780 329 HD1 TRP 44 HD1 TRP 44 -5.552 -0.725 -6.364 330 HE1 TRP 44 HE1 TRP 44 -5.781 -1.934 -4.095 331 HE3 TRP 44 HE3 TRP 44 -0.789 -0.201 -4.598 332 HZ2 TRP 44 HZ2 TRP 44 -4.158 -2.570 -1.833 333 HZ3 TRP 44 HZ3 TRP 44 -0.158 -1.118 -2.384 334 HH2 TRP 44 HH2 TRP 44 -1.837 -2.307 -0.999 335 H THR 45 HN THR 45 -1.722 3.273 -5.966 336 HA THR 45 HA THR 45 -0.565 3.963 -8.582 337 HB THR 45 HB THR 45 -0.896 6.459 -7.838 338 HG1 THR 45 HG1 THR 45 -2.655 6.788 -6.557 339 1HG2 THR 45 HG21 THR 45 -2.855 6.606 -9.200 340 2HG2 THR 45 HG22 THR 45 -3.338 4.959 -8.798 341 3HG2 THR 45 HG23 THR 45 -1.927 5.240 -9.819 342 H TYR 46 HN TYR 46 1.607 4.216 -8.242 343 HA TYR 46 HA TYR 46 2.564 4.307 -5.424 344 1HB TYR 46 HB2 TYR 46 3.318 2.443 -6.735 345 2HB TYR 46 HB1 TYR 46 3.707 3.472 -8.107 346 HD1 TYR 46 HD1 TYR 46 4.800 2.346 -4.757 347 HD2 TYR 46 HD2 TYR 46 5.754 4.779 -8.166 348 HE1 TYR 46 HE1 TYR 46 7.124 2.547 -3.956 349 HE2 TYR 46 HE2 TYR 46 8.087 4.989 -7.358 350 HH TYR 46 HH TYR 46 9.274 4.831 -5.105 351 H ASP 47 HN ASP 47 3.977 5.926 -4.721 352 HA ASP 47 HA ASP 47 4.403 8.242 -6.581 353 1HB ASP 47 HB2 ASP 47 2.862 8.402 -4.522 354 2HB ASP 47 HB1 ASP 47 4.331 8.279 -3.555 355 H ASP 48 HN ASP 48 6.516 8.096 -7.270 356 HA ASP 48 HA ASP 48 8.645 6.807 -5.821 357 1HB ASP 48 HB2 ASP 48 8.336 7.379 -8.337 358 2HB ASP 48 HB1 ASP 48 8.982 8.963 -7.906 359 H ALA 49 HN ALA 49 7.307 10.032 -5.668 360 HA ALA 49 HA ALA 49 9.453 11.589 -4.771 361 1HB ALA 49 HB1 ALA 49 7.743 13.017 -3.880 362 2HB ALA 49 HB2 ALA 49 6.644 11.657 -3.649 363 3HB ALA 49 HB3 ALA 49 7.031 12.212 -5.278 364 H THR 50 HN THR 50 7.390 9.372 -2.890 365 HA THR 50 HA THR 50 9.485 9.265 -0.780 366 HB THR 50 HB THR 50 7.775 9.760 0.949 367 HG1 THR 50 HG1 THR 50 5.747 9.940 0.425 368 1HG2 THR 50 HG21 THR 50 9.156 11.577 -0.188 369 2HG2 THR 50 HG22 THR 50 7.671 12.121 0.593 370 3HG2 THR 50 HG23 THR 50 7.726 11.925 -1.160 371 H LYS 51 HN LYS 51 8.015 7.440 -2.857 372 HA LYS 51 HA LYS 51 7.229 5.211 -2.938 373 1HB LYS 51 HB2 LYS 51 9.265 5.540 -0.902 374 2HB LYS 51 HB1 LYS 51 8.146 4.266 -0.421 375 1HG LYS 51 HG2 LYS 51 9.489 2.974 -1.742 376 2HG LYS 51 HG1 LYS 51 8.476 3.626 -3.032 377 1HD LYS 51 HD2 LYS 51 10.811 3.912 -3.659 378 2HD LYS 51 HD1 LYS 51 10.126 5.497 -3.302 379 1HE LYS 51 HE2 LYS 51 11.940 5.742 -1.931 380 2HE LYS 51 HE1 LYS 51 11.054 4.678 -0.820 381 1HZ LYS 51 HZ1 LYS 51 13.010 3.880 -2.904 382 2HZ LYS 51 HZ2 LYS 51 11.994 2.775 -2.108 383 3HZ LYS 51 HZ3 LYS 51 13.146 3.661 -1.228 384 H THR 52 HN THR 52 4.938 5.628 -2.736 385 HA THR 52 HA THR 52 3.811 4.767 -0.130 386 HB THR 52 HB THR 52 3.000 7.367 -1.451 387 HG1 THR 52 HG1 THR 52 4.308 8.369 0.012 388 1HG2 THR 52 HG21 THR 52 1.547 5.925 0.245 389 2HG2 THR 52 HG22 THR 52 1.607 7.684 0.365 390 3HG2 THR 52 HG23 THR 52 2.600 6.692 1.433 391 H PHE 53 HN PHE 53 2.745 2.990 -1.064 392 HA PHE 53 HA PHE 53 1.338 3.004 -3.579 393 1HB PHE 53 HB2 PHE 53 1.098 1.356 -1.038 394 2HB PHE 53 HB1 PHE 53 0.259 0.953 -2.535 395 HD1 PHE 53 HD1 PHE 53 1.559 0.376 -4.585 396 HD2 PHE 53 HD2 PHE 53 3.454 0.959 -0.774 397 HE1 PHE 53 HE1 PHE 53 3.592 -0.774 -5.418 398 HE2 PHE 53 HE2 PHE 53 5.486 -0.194 -1.604 399 HZ PHE 53 HZ PHE 53 5.554 -1.062 -3.929 400 H THR 54 HN THR 54 -0.562 4.097 -4.020 401 HA THR 54 HA THR 54 -2.227 4.960 -1.672 402 HB THR 54 HB THR 54 -1.876 6.145 -4.439 403 HG1 THR 54 HG1 THR 54 -0.394 7.395 -3.543 404 1HG2 THR 54 HG21 THR 54 -3.993 6.539 -2.769 405 2HG2 THR 54 HG22 THR 54 -3.378 7.763 -3.880 406 3HG2 THR 54 HG23 THR 54 -2.880 7.777 -2.189 407 H VAL 55 HN VAL 55 -3.792 3.215 -1.614 408 HA VAL 55 HA VAL 55 -5.350 2.745 -4.077 409 HB VAL 55 HB VAL 55 -4.470 0.791 -2.768 410 1HG1 VAL 55 HG11 VAL 55 -5.325 0.252 -0.613 411 2HG1 VAL 55 HG12 VAL 55 -6.537 1.538 -0.715 412 3HG1 VAL 55 HG13 VAL 55 -4.832 1.947 -0.521 413 1HG2 VAL 55 HG21 VAL 55 -6.561 0.712 -4.184 414 2HG2 VAL 55 HG22 VAL 55 -7.481 0.931 -2.695 415 3HG2 VAL 55 HG23 VAL 55 -6.478 -0.503 -2.908 416 H THR 56 HN THR 56 -7.780 2.611 -3.720 417 HA THR 56 HA THR 56 -8.893 4.215 -1.514 418 HB THR 56 HB THR 56 -8.938 5.063 -4.426 419 HG1 THR 56 HG1 THR 56 -7.783 6.342 -2.180 420 1HG2 THR 56 HG21 THR 56 -10.920 5.975 -3.730 421 2HG2 THR 56 HG22 THR 56 -9.854 7.203 -3.047 422 3HG2 THR 56 HG23 THR 56 -10.471 5.904 -2.026 423 H GLU 57 HN GLU 57 -10.444 2.652 -1.015 424 HA GLU 57 HA GLU 57 -11.985 1.347 -3.193 425 1HB GLU 57 HB2 GLU 57 -10.892 0.378 -0.962 426 2HB GLU 57 HB1 GLU 57 -12.431 0.887 -0.267 427 1HG GLU 57 HG2 GLU 57 -12.519 -0.635 -2.834 428 2HG GLU 57 HG1 GLU 57 -12.124 -1.532 -1.367 Start of MODEL 22 1 1H MET 1 HT1 MET 1 -17.679 2.356 3.954 2 2H MET 1 HT2 MET 1 -16.986 0.831 4.238 3 3H MET 1 HT3 MET 1 -17.716 1.171 2.742 4 HA MET 1 HA MET 1 -16.009 2.719 2.157 5 1HB MET 1 HB2 MET 1 -14.253 3.221 3.854 6 2HB MET 1 HB1 MET 1 -15.860 3.683 4.411 7 1HG MET 1 HG2 MET 1 -16.017 1.820 5.867 8 2HG MET 1 HG1 MET 1 -14.685 0.980 5.072 9 1HE MET 1 HE1 MET 1 -13.774 0.401 7.204 10 2HE MET 1 HE2 MET 1 -12.489 1.355 7.941 11 3HE MET 1 HE3 MET 1 -12.364 0.879 6.249 12 H THR 2 HN THR 2 -13.913 2.014 1.334 13 HA THR 2 HA THR 2 -13.583 -0.946 1.427 14 HB THR 2 HB THR 2 -12.377 1.169 -0.385 15 HG1 THR 2 HG1 THR 2 -14.627 -0.522 -0.735 16 1HG2 THR 2 HG21 THR 2 -12.130 -0.859 -1.898 17 2HG2 THR 2 HG22 THR 2 -12.520 -1.849 -0.491 18 3HG2 THR 2 HG23 THR 2 -11.075 -0.837 -0.484 19 H THR 3 HN THR 3 -12.165 -1.575 3.010 20 HA THR 3 HA THR 3 -9.983 0.142 3.893 21 HB THR 3 HB THR 3 -10.577 -2.715 4.666 22 HG1 THR 3 HG1 THR 3 -12.237 -2.037 5.795 23 1HG2 THR 3 HG21 THR 3 -9.346 -2.281 6.569 24 2HG2 THR 3 HG22 THR 3 -9.731 -0.560 6.551 25 3HG2 THR 3 HG23 THR 3 -8.523 -1.204 5.440 26 H PHE 4 HN PHE 4 -8.580 0.202 2.017 27 HA PHE 4 HA PHE 4 -7.626 -2.217 0.712 28 1HB PHE 4 HB2 PHE 4 -6.674 0.664 0.808 29 2HB PHE 4 HB1 PHE 4 -5.986 -0.554 -0.265 30 HD1 PHE 4 HD1 PHE 4 -7.344 -1.556 -2.072 31 HD2 PHE 4 HD2 PHE 4 -8.876 1.590 0.419 32 HE1 PHE 4 HE1 PHE 4 -9.174 -1.158 -3.699 33 HE2 PHE 4 HE2 PHE 4 -10.705 1.988 -1.207 34 HZ PHE 4 HZ PHE 4 -10.854 0.614 -3.266 35 H LYS 5 HN LYS 5 -5.166 -2.682 0.711 36 HA LYS 5 HA LYS 5 -3.904 -2.164 3.371 37 1HB LYS 5 HB2 LYS 5 -5.215 -4.306 3.363 38 2HB LYS 5 HB1 LYS 5 -4.185 -4.882 2.051 39 1HG LYS 5 HG2 LYS 5 -2.297 -5.025 3.414 40 2HG LYS 5 HG1 LYS 5 -2.922 -3.852 4.574 41 1HD LYS 5 HD2 LYS 5 -3.207 -5.864 5.729 42 2HD LYS 5 HD1 LYS 5 -4.789 -5.649 4.978 43 1HE LYS 5 HE2 LYS 5 -3.669 -6.999 2.981 44 2HE LYS 5 HE1 LYS 5 -2.616 -7.594 4.281 45 1HZ LYS 5 HZ1 LYS 5 -5.580 -7.520 4.448 46 2HZ LYS 5 HZ2 LYS 5 -4.510 -8.228 5.561 47 3HZ LYS 5 HZ3 LYS 5 -4.697 -8.901 4.012 48 H LEU 6 HN LEU 6 -1.681 -1.925 3.236 49 HA LEU 6 HA LEU 6 -0.425 -2.326 0.542 50 1HB LEU 6 HB2 LEU 6 -0.579 0.005 1.226 51 2HB LEU 6 HB1 LEU 6 0.095 -0.372 2.809 52 HG LEU 6 HG LEU 6 2.202 -1.144 1.621 53 1HD1 LEU 6 HD11 LEU 6 1.330 -1.540 -0.596 54 2HD1 LEU 6 HD12 LEU 6 2.488 -0.215 -0.706 55 3HD1 LEU 6 HD13 LEU 6 0.756 0.122 -0.721 56 1HD2 LEU 6 HD21 LEU 6 1.173 1.631 1.820 57 2HD2 LEU 6 HD22 LEU 6 2.606 1.421 0.814 58 3HD2 LEU 6 HD23 LEU 6 2.636 0.918 2.505 59 H ILE 7 HN ILE 7 1.026 -4.010 0.517 60 HA ILE 7 HA ILE 7 1.960 -5.286 2.955 61 HB ILE 7 HB ILE 7 1.541 -6.149 0.473 62 1HG1 ILE 7 HG12 ILE 7 3.334 -7.950 0.937 63 2HG1 ILE 7 HG11 ILE 7 3.658 -7.046 2.415 64 1HG2 ILE 7 HG21 ILE 7 3.370 -4.601 -0.426 65 2HG2 ILE 7 HG22 ILE 7 3.451 -6.286 -0.933 66 3HG2 ILE 7 HG23 ILE 7 4.524 -5.695 0.333 67 1HD1 ILE 7 HD11 ILE 7 1.912 -8.964 2.523 68 2HD1 ILE 7 HD12 ILE 7 0.847 -7.842 1.677 69 3HD1 ILE 7 HD13 ILE 7 1.491 -7.420 3.263 70 H ILE 8 HN ILE 8 4.412 -5.482 3.390 71 HA ILE 8 HA ILE 8 5.802 -2.924 2.667 72 HB ILE 8 HB ILE 8 5.801 -4.395 5.322 73 1HG1 ILE 8 HG12 ILE 8 4.547 -1.736 4.565 74 2HG1 ILE 8 HG11 ILE 8 3.647 -3.239 4.766 75 1HG2 ILE 8 HG21 ILE 8 7.884 -3.068 4.599 76 2HG2 ILE 8 HG22 ILE 8 7.162 -2.629 6.147 77 3HG2 ILE 8 HG23 ILE 8 6.867 -1.633 4.723 78 1HD1 ILE 8 HD11 ILE 8 4.251 -3.376 7.096 79 2HD1 ILE 8 HD12 ILE 8 3.658 -1.741 6.807 80 3HD1 ILE 8 HD13 ILE 8 5.391 -2.041 6.934 81 H ASN 9 HN ASN 9 6.661 -4.523 0.946 82 HA ASN 9 HA ASN 9 8.689 -6.427 1.993 83 1HB ASN 9 HB2 ASN 9 7.043 -6.080 -0.383 84 2HB ASN 9 HB1 ASN 9 8.732 -6.303 -0.832 85 1HD2 ASN 9 HD21 ASN 9 6.336 -8.213 -0.991 86 2HD2 ASN 9 HD22 ASN 9 6.865 -9.613 -0.190 87 H GLY 10 HN GLY 10 9.331 -3.847 2.664 88 1HA GLY 10 HA2 GLY 10 11.437 -3.064 0.691 89 2HA GLY 10 HA1 GLY 10 10.633 -1.921 1.772 90 H LYS 11 HN LYS 11 13.517 -2.570 1.527 91 HA LYS 11 HA LYS 11 14.388 -4.133 3.783 92 1HB LYS 11 HB2 LYS 11 15.677 -3.391 1.719 93 2HB LYS 11 HB1 LYS 11 15.789 -1.795 2.459 94 1HG LYS 11 HG2 LYS 11 16.560 -3.689 4.449 95 2HG LYS 11 HG1 LYS 11 17.406 -4.125 2.965 96 1HD LYS 11 HD2 LYS 11 17.330 -1.282 3.987 97 2HD LYS 11 HD1 LYS 11 18.578 -2.424 4.483 98 1HE LYS 11 HE2 LYS 11 18.657 -2.786 1.786 99 2HE LYS 11 HE1 LYS 11 18.202 -1.072 1.870 100 1HZ LYS 11 HZ1 LYS 11 20.579 -1.234 2.016 101 2HZ LYS 11 HZ2 LYS 11 20.478 -2.380 3.267 102 3HZ LYS 11 HZ3 LYS 11 19.983 -0.777 3.537 103 H THR 12 HN THR 12 12.928 -1.005 3.599 104 HA THR 12 HA THR 12 14.187 0.059 6.031 105 HB THR 12 HB THR 12 11.723 1.059 4.592 106 HG1 THR 12 HG1 THR 12 12.952 1.785 3.011 107 1HG2 THR 12 HG21 THR 12 12.926 2.005 6.805 108 2HG2 THR 12 HG22 THR 12 12.166 3.063 5.615 109 3HG2 THR 12 HG23 THR 12 13.911 2.811 5.585 110 H LEU 13 HN LEU 13 11.065 -1.402 5.092 111 HA LEU 13 HA LEU 13 10.485 -1.805 8.002 112 1HB LEU 13 HB2 LEU 13 8.936 -0.298 5.926 113 2HB LEU 13 HB1 LEU 13 8.042 -1.162 7.177 114 HG LEU 13 HG LEU 13 10.345 0.618 7.933 115 1HD1 LEU 13 HD11 LEU 13 8.845 1.974 6.504 116 2HD1 LEU 13 HD12 LEU 13 8.763 2.487 8.189 117 3HD1 LEU 13 HD13 LEU 13 7.473 1.499 7.504 118 1HD2 LEU 13 HD21 LEU 13 9.339 -0.902 9.610 119 2HD2 LEU 13 HD22 LEU 13 7.757 -0.183 9.305 120 3HD2 LEU 13 HD23 LEU 13 9.044 0.788 10.022 121 H LYS 14 HN LYS 14 8.571 -3.358 8.250 122 HA LYS 14 HA LYS 14 8.137 -5.197 5.961 123 1HB LYS 14 HB2 LYS 14 9.901 -5.630 8.289 124 2HB LYS 14 HB1 LYS 14 8.778 -6.954 7.979 125 1HG LYS 14 HG2 LYS 14 9.612 -7.299 5.787 126 2HG LYS 14 HG1 LYS 14 10.431 -5.737 5.765 127 1HD LYS 14 HD2 LYS 14 12.238 -7.093 6.233 128 2HD LYS 14 HD1 LYS 14 11.685 -6.779 7.878 129 1HE LYS 14 HE2 LYS 14 11.695 -9.074 8.028 130 2HE LYS 14 HE1 LYS 14 10.126 -8.934 7.209 131 1HZ LYS 14 HZ1 LYS 14 12.717 -9.037 5.766 132 2HZ LYS 14 HZ2 LYS 14 11.158 -9.151 5.101 133 3HZ LYS 14 HZ3 LYS 14 11.769 -10.412 6.062 134 H GLY 15 HN GLY 15 6.137 -6.245 6.133 135 1HA GLY 15 HA2 GLY 15 4.511 -7.253 7.856 136 2HA GLY 15 HA1 GLY 15 4.548 -5.652 8.594 137 H GLU 16 HN GLU 16 2.306 -5.293 8.225 138 HA GLU 16 HA GLU 16 1.654 -4.532 5.417 139 1HB GLU 16 HB2 GLU 16 -0.504 -5.759 5.637 140 2HB GLU 16 HB1 GLU 16 0.882 -6.842 5.753 141 1HG GLU 16 HG2 GLU 16 0.719 -6.843 8.195 142 2HG GLU 16 HG1 GLU 16 -0.607 -5.682 8.129 143 H THR 17 HN THR 17 -0.237 -3.072 5.326 144 HA THR 17 HA THR 17 -1.128 -1.895 7.910 145 HB THR 17 HB THR 17 0.035 -0.216 5.676 146 HG1 THR 17 HG1 THR 17 1.836 -1.114 6.299 147 1HG2 THR 17 HG21 THR 17 -0.827 0.232 8.521 148 2HG2 THR 17 HG22 THR 17 -1.240 1.159 7.078 149 3HG2 THR 17 HG23 THR 17 0.372 1.292 7.780 150 H THR 18 HN THR 18 -3.155 -0.836 7.716 151 HA THR 18 HA THR 18 -4.484 -1.067 5.033 152 HB THR 18 HB THR 18 -6.543 -1.459 6.391 153 HG1 THR 18 HG1 THR 18 -6.416 -1.518 8.554 154 1HG2 THR 18 HG21 THR 18 -4.667 -3.248 5.732 155 2HG2 THR 18 HG22 THR 18 -6.091 -3.697 6.671 156 3HG2 THR 18 HG23 THR 18 -4.557 -3.393 7.487 157 H THR 19 HN THR 19 -6.425 0.507 4.900 158 HA THR 19 HA THR 19 -5.982 3.034 6.422 159 HB THR 19 HB THR 19 -4.638 3.148 4.361 160 HG1 THR 19 HG1 THR 19 -5.285 5.127 4.405 161 1HG2 THR 19 HG21 THR 19 -5.943 1.493 3.054 162 2HG2 THR 19 HG22 THR 19 -5.711 2.994 2.158 163 3HG2 THR 19 HG23 THR 19 -7.263 2.655 2.924 164 H GLU 20 HN GLU 20 -7.795 4.652 5.235 165 HA GLU 20 HA GLU 20 -10.372 3.111 5.246 166 1HB GLU 20 HB2 GLU 20 -9.660 5.782 6.504 167 2HB GLU 20 HB1 GLU 20 -11.282 5.090 6.481 168 1HG GLU 20 HG2 GLU 20 -10.644 4.214 8.493 169 2HG GLU 20 HG1 GLU 20 -9.884 2.986 7.481 170 H ALA 21 HN ALA 21 -10.378 3.189 2.892 171 HA ALA 21 HA ALA 21 -11.001 5.911 1.794 172 1HB ALA 21 HB1 ALA 21 -8.961 3.916 1.093 173 2HB ALA 21 HB2 ALA 21 -9.042 5.627 0.675 174 3HB ALA 21 HB3 ALA 21 -9.916 4.441 -0.294 175 H VAL 22 HN VAL 22 -12.844 5.972 0.516 176 HA VAL 22 HA VAL 22 -14.762 3.885 0.568 177 HB VAL 22 HB VAL 22 -15.881 5.319 -1.120 178 1HG1 VAL 22 HG11 VAL 22 -15.849 5.903 1.320 179 2HG1 VAL 22 HG12 VAL 22 -16.057 7.294 0.256 180 3HG1 VAL 22 HG13 VAL 22 -14.487 6.973 0.990 181 1HG2 VAL 22 HG21 VAL 22 -13.689 5.838 -2.333 182 2HG2 VAL 22 HG22 VAL 22 -13.394 7.030 -1.069 183 3HG2 VAL 22 HG23 VAL 22 -14.797 7.192 -2.123 184 H ASP 23 HN ASP 23 -12.094 4.485 -1.635 185 HA ASP 23 HA ASP 23 -12.351 1.863 -2.848 186 1HB ASP 23 HB2 ASP 23 -12.884 2.736 -5.146 187 2HB ASP 23 HB1 ASP 23 -14.201 2.948 -3.997 188 H ALA 24 HN ALA 24 -10.825 1.874 -4.946 189 HA ALA 24 HA ALA 24 -8.189 2.456 -4.156 190 1HB ALA 24 HB1 ALA 24 -8.073 2.463 -6.887 191 2HB ALA 24 HB2 ALA 24 -9.653 1.728 -6.619 192 3HB ALA 24 HB3 ALA 24 -8.211 0.998 -5.914 193 H ALA 25 HN ALA 25 -10.586 4.578 -5.570 194 HA ALA 25 HA ALA 25 -8.985 6.573 -6.789 195 1HB ALA 25 HB1 ALA 25 -11.618 6.163 -6.350 196 2HB ALA 25 HB2 ALA 25 -10.975 7.736 -6.824 197 3HB ALA 25 HB3 ALA 25 -11.318 7.399 -5.127 198 H THR 26 HN THR 26 -9.988 6.263 -3.371 199 HA THR 26 HA THR 26 -8.349 8.580 -2.566 200 HB THR 26 HB THR 26 -9.915 6.523 -0.970 201 HG1 THR 26 HG1 THR 26 -11.545 8.082 -1.039 202 1HG2 THR 26 HG21 THR 26 -9.221 9.342 -0.157 203 2HG2 THR 26 HG22 THR 26 -8.131 7.996 0.177 204 3HG2 THR 26 HG23 THR 26 -9.756 8.007 0.862 205 H ALA 27 HN ALA 27 -8.218 5.056 -2.498 206 HA ALA 27 HA ALA 27 -6.047 4.704 -0.663 207 1HB ALA 27 HB1 ALA 27 -6.411 2.964 -3.082 208 2HB ALA 27 HB2 ALA 27 -7.734 3.074 -1.920 209 3HB ALA 27 HB3 ALA 27 -6.150 2.494 -1.402 210 H GLU 28 HN GLU 28 -3.913 3.591 -1.749 211 HA GLU 28 HA GLU 28 -1.918 3.919 -2.971 212 1HB GLU 28 HB2 GLU 28 -3.775 3.895 -4.819 213 2HB GLU 28 HB1 GLU 28 -3.485 5.634 -4.894 214 1HG GLU 28 HG2 GLU 28 -1.029 5.126 -5.190 215 2HG GLU 28 HG1 GLU 28 -1.462 3.423 -5.341 216 H LYS 29 HN LYS 29 -3.756 7.006 -3.316 217 HA LYS 29 HA LYS 29 -1.539 8.753 -3.108 218 1HB LYS 29 HB2 LYS 29 -4.422 9.055 -2.204 219 2HB LYS 29 HB1 LYS 29 -3.299 10.399 -2.412 220 1HG LYS 29 HG2 LYS 29 -3.253 10.183 -4.727 221 2HG LYS 29 HG1 LYS 29 -3.692 8.475 -4.679 222 1HD LYS 29 HD2 LYS 29 -5.970 9.148 -3.862 223 2HD LYS 29 HD1 LYS 29 -5.512 10.833 -4.116 224 1HE LYS 29 HE2 LYS 29 -5.162 8.883 -6.379 225 2HE LYS 29 HE1 LYS 29 -6.775 9.543 -6.039 226 1HZ LYS 29 HZ1 LYS 29 -5.649 11.044 -7.507 227 2HZ LYS 29 HZ2 LYS 29 -4.279 11.086 -6.504 228 3HZ LYS 29 HZ3 LYS 29 -5.740 11.775 -5.980 229 H VAL 30 HN VAL 30 -3.442 7.176 -0.573 230 HA VAL 30 HA VAL 30 -2.104 8.627 1.609 231 HB VAL 30 HB VAL 30 -3.987 6.242 1.499 232 1HG1 VAL 30 HG11 VAL 30 -2.917 7.891 3.796 233 2HG1 VAL 30 HG12 VAL 30 -2.913 6.136 3.619 234 3HG1 VAL 30 HG13 VAL 30 -4.427 6.988 3.921 235 1HG2 VAL 30 HG21 VAL 30 -5.477 8.227 2.488 236 2HG2 VAL 30 HG22 VAL 30 -5.303 7.989 0.749 237 3HG2 VAL 30 HG23 VAL 30 -4.333 9.210 1.573 238 H PHE 31 HN PHE 31 -2.183 5.243 0.421 239 HA PHE 31 HA PHE 31 -0.176 4.227 2.199 240 1HB PHE 31 HB2 PHE 31 -1.381 3.449 -0.443 241 2HB PHE 31 HB1 PHE 31 0.011 2.551 0.155 242 HD1 PHE 31 HD1 PHE 31 -3.302 2.175 -0.097 243 HD2 PHE 31 HD2 PHE 31 -0.360 2.411 3.024 244 HE1 PHE 31 HE1 PHE 31 -4.786 0.876 1.403 245 HE2 PHE 31 HE2 PHE 31 -1.848 1.113 4.524 246 HZ PHE 31 HZ PHE 31 -4.061 0.346 3.712 247 H LYS 32 HN LYS 32 -0.005 5.824 -0.946 248 HA LYS 32 HA LYS 32 2.753 5.313 -1.530 249 1HB LYS 32 HB2 LYS 32 1.034 6.173 -3.114 250 2HB LYS 32 HB1 LYS 32 0.993 7.694 -2.220 251 1HG LYS 32 HG2 LYS 32 3.063 8.363 -2.988 252 2HG LYS 32 HG1 LYS 32 3.653 6.709 -3.154 253 1HD LYS 32 HD2 LYS 32 3.345 7.577 -5.380 254 2HD LYS 32 HD1 LYS 32 2.039 6.429 -5.084 255 1HE LYS 32 HE2 LYS 32 0.565 8.357 -4.417 256 2HE LYS 32 HE1 LYS 32 1.865 9.457 -4.918 257 1HZ LYS 32 HZ1 LYS 32 1.829 8.568 -7.103 258 2HZ LYS 32 HZ2 LYS 32 0.217 8.923 -6.703 259 3HZ LYS 32 HZ3 LYS 32 0.773 7.318 -6.661 260 H GLN 33 HN GLN 33 1.114 7.926 0.254 261 HA GLN 33 HA GLN 33 3.413 9.547 0.782 262 1HB GLN 33 HB2 GLN 33 0.986 10.161 1.048 263 2HB GLN 33 HB1 GLN 33 0.931 9.123 2.473 264 1HG GLN 33 HG2 GLN 33 1.335 11.292 3.341 265 2HG GLN 33 HG1 GLN 33 2.920 10.517 3.342 266 1HE2 GLN 33 HE21 GLN 33 4.453 12.021 2.669 267 2HE2 GLN 33 HE22 GLN 33 4.247 13.118 1.390 268 H TYR 34 HN TYR 34 2.058 6.747 2.357 269 HA TYR 34 HA TYR 34 3.679 6.797 4.750 270 1HB TYR 34 HB2 TYR 34 1.718 5.500 4.845 271 2HB TYR 34 HB1 TYR 34 1.961 4.833 3.236 272 HD1 TYR 34 HD1 TYR 34 3.045 4.664 6.773 273 HD2 TYR 34 HD2 TYR 34 3.259 2.840 2.895 274 HE1 TYR 34 HE1 TYR 34 4.091 2.649 7.780 275 HE2 TYR 34 HE2 TYR 34 4.303 0.826 3.891 276 HH TYR 34 HH TYR 34 5.629 0.271 5.946 277 H ALA 35 HN ALA 35 3.925 4.934 1.703 278 HA ALA 35 HA ALA 35 6.491 3.756 2.301 279 1HB ALA 35 HB1 ALA 35 5.425 2.587 0.640 280 2HB ALA 35 HB2 ALA 35 6.276 3.716 -0.417 281 3HB ALA 35 HB3 ALA 35 4.598 4.023 0.034 282 H ASN 36 HN ASN 36 5.551 6.509 0.203 283 HA ASN 36 HA ASN 36 8.111 7.268 -0.692 284 1HB ASN 36 HB2 ASN 36 5.757 8.093 -1.328 285 2HB ASN 36 HB1 ASN 36 5.898 9.188 0.049 286 1HD2 ASN 36 HD21 ASN 36 6.348 11.213 -0.868 287 2HD2 ASN 36 HD22 ASN 36 7.576 11.502 -2.004 288 H ASP 37 HN ASP 37 6.529 7.841 2.395 289 HA ASP 37 HA ASP 37 8.265 9.913 3.390 290 1HB ASP 37 HB2 ASP 37 6.243 7.987 4.394 291 2HB ASP 37 HB1 ASP 37 7.385 8.577 5.602 292 H ASN 38 HN ASN 38 8.373 6.359 3.572 293 HA ASN 38 HA ASN 38 10.908 6.401 5.095 294 1HB ASN 38 HB2 ASN 38 8.876 4.403 4.159 295 2HB ASN 38 HB1 ASN 38 10.486 3.823 4.589 296 1HD2 ASN 38 HD21 ASN 38 8.006 6.082 5.947 297 2HD2 ASN 38 HD22 ASN 38 8.227 5.582 7.554 298 H GLY 39 HN GLY 39 9.728 5.373 1.886 299 1HA GLY 39 HA2 GLY 39 11.298 6.004 -0.013 300 2HA GLY 39 HA1 GLY 39 12.573 5.279 0.966 301 H ILE 40 HN ILE 40 9.275 4.020 0.510 302 HA ILE 40 HA ILE 40 10.445 1.450 -0.404 303 HB ILE 40 HB ILE 40 7.662 2.338 0.428 304 1HG1 ILE 40 HG12 ILE 40 9.703 0.556 1.795 305 2HG1 ILE 40 HG11 ILE 40 9.421 2.249 2.201 306 1HG2 ILE 40 HG21 ILE 40 7.148 0.508 -0.938 307 2HG2 ILE 40 HG22 ILE 40 7.454 -0.301 0.601 308 3HG2 ILE 40 HG23 ILE 40 8.705 -0.270 -0.640 309 1HD1 ILE 40 HD11 ILE 40 8.150 0.178 3.423 310 2HD1 ILE 40 HD12 ILE 40 6.999 0.543 2.136 311 3HD1 ILE 40 HD13 ILE 40 7.464 1.797 3.286 312 H ASP 41 HN ASP 41 10.994 2.904 -2.461 313 HA ASP 41 HA ASP 41 8.721 3.207 -4.332 314 1HB ASP 41 HB2 ASP 41 11.708 3.728 -4.427 315 2HB ASP 41 HB1 ASP 41 10.645 4.017 -5.804 316 H GLY 42 HN GLY 42 8.799 0.597 -3.681 317 1HA GLY 42 HA2 GLY 42 10.597 -0.951 -5.379 318 2HA GLY 42 HA1 GLY 42 9.290 -1.589 -4.381 319 H GLU 43 HN GLU 43 8.142 -2.793 -5.807 320 HA GLU 43 HA GLU 43 7.227 -1.506 -8.314 321 1HB GLU 43 HB2 GLU 43 7.758 -4.370 -7.505 322 2HB GLU 43 HB1 GLU 43 6.888 -3.961 -8.984 323 1HG GLU 43 HG2 GLU 43 9.477 -2.564 -8.506 324 2HG GLU 43 HG1 GLU 43 9.553 -4.270 -8.946 325 H TRP 44 HN TRP 44 5.283 -0.602 -7.678 326 HA TRP 44 HA TRP 44 3.528 -1.831 -5.772 327 1HB TRP 44 HB2 TRP 44 3.355 0.484 -7.685 328 2HB TRP 44 HB1 TRP 44 2.006 0.039 -6.632 329 HD1 TRP 44 HD1 TRP 44 5.784 0.792 -6.333 330 HE1 TRP 44 HE1 TRP 44 6.193 1.916 -4.046 331 HE3 TRP 44 HE3 TRP 44 1.052 0.649 -4.415 332 HZ2 TRP 44 HZ2 TRP 44 4.711 2.637 -1.716 333 HZ3 TRP 44 HZ3 TRP 44 0.580 1.562 -2.160 334 HH2 TRP 44 HH2 TRP 44 2.403 2.561 -0.809 335 H THR 45 HN THR 45 1.681 -2.947 -6.060 336 HA THR 45 HA THR 45 0.526 -3.397 -8.734 337 HB THR 45 HB THR 45 0.689 -5.934 -8.197 338 HG1 THR 45 HG1 THR 45 2.119 -6.513 -6.714 339 1HG2 THR 45 HG21 THR 45 2.767 -6.104 -9.387 340 2HG2 THR 45 HG22 THR 45 3.286 -4.515 -8.825 341 3HG2 THR 45 HG23 THR 45 1.959 -4.652 -9.979 342 H TYR 46 HN TYR 46 -1.655 -3.510 -8.455 343 HA TYR 46 HA TYR 46 -2.681 -3.828 -5.667 344 1HB TYR 46 HB2 TYR 46 -3.202 -1.704 -6.591 345 2HB TYR 46 HB1 TYR 46 -3.538 -2.376 -8.180 346 HD1 TYR 46 HD1 TYR 46 -5.669 -3.494 -8.654 347 HD2 TYR 46 HD2 TYR 46 -4.884 -1.732 -4.816 348 HE1 TYR 46 HE1 TYR 46 -8.086 -3.583 -8.118 349 HE2 TYR 46 HE2 TYR 46 -7.296 -1.821 -4.279 350 HH TYR 46 HH TYR 46 -9.581 -1.909 -6.110 351 H ASP 47 HN ASP 47 -3.419 -5.886 -5.314 352 HA ASP 47 HA ASP 47 -4.395 -7.574 -7.530 353 1HB ASP 47 HB2 ASP 47 -3.545 -7.838 -4.693 354 2HB ASP 47 HB1 ASP 47 -4.737 -9.012 -5.252 355 H ASP 48 HN ASP 48 -6.509 -7.438 -8.123 356 HA ASP 48 HA ASP 48 -8.541 -6.098 -6.562 357 1HB ASP 48 HB2 ASP 48 -8.244 -6.565 -9.134 358 2HB ASP 48 HB1 ASP 48 -9.095 -8.066 -8.770 359 H ALA 49 HN ALA 49 -7.417 -9.409 -6.722 360 HA ALA 49 HA ALA 49 -9.629 -10.903 -5.895 361 1HB ALA 49 HB1 ALA 49 -7.021 -11.474 -4.595 362 2HB ALA 49 HB2 ALA 49 -6.997 -11.342 -6.353 363 3HB ALA 49 HB3 ALA 49 -8.042 -12.529 -5.572 364 H THR 50 HN THR 50 -7.468 -8.894 -3.904 365 HA THR 50 HA THR 50 -9.479 -9.014 -1.704 366 HB THR 50 HB THR 50 -7.620 -9.481 -0.112 367 HG1 THR 50 HG1 THR 50 -5.623 -10.066 -0.991 368 1HG2 THR 50 HG21 THR 50 -8.995 -11.313 -1.150 369 2HG2 THR 50 HG22 THR 50 -7.381 -11.823 -0.656 370 3HG2 THR 50 HG23 THR 50 -7.724 -11.509 -2.358 371 H LYS 51 HN LYS 51 -8.032 -6.992 -3.734 372 HA LYS 51 HA LYS 51 -7.344 -4.733 -3.669 373 1HB LYS 51 HB2 LYS 51 -9.497 -5.250 -1.773 374 2HB LYS 51 HB1 LYS 51 -8.513 -3.882 -1.252 375 1HG LYS 51 HG2 LYS 51 -10.091 -2.868 -2.661 376 2HG LYS 51 HG1 LYS 51 -8.711 -3.108 -3.734 377 1HD LYS 51 HD2 LYS 51 -9.737 -4.815 -4.904 378 2HD LYS 51 HD1 LYS 51 -10.703 -5.325 -3.518 379 1HE LYS 51 HE2 LYS 51 -11.241 -2.611 -4.674 380 2HE LYS 51 HE1 LYS 51 -11.850 -4.035 -5.541 381 1HZ LYS 51 HZ1 LYS 51 -12.212 -3.577 -2.628 382 2HZ LYS 51 HZ2 LYS 51 -12.898 -4.821 -3.560 383 3HZ LYS 51 HZ3 LYS 51 -13.388 -3.211 -3.794 384 H THR 52 HN THR 52 -5.061 -5.237 -3.265 385 HA THR 52 HA THR 52 -4.154 -4.247 -0.622 386 HB THR 52 HB THR 52 -3.379 -6.956 -1.746 387 HG1 THR 52 HG1 THR 52 -5.084 -7.623 -0.759 388 1HG2 THR 52 HG21 THR 52 -2.650 -7.012 0.842 389 2HG2 THR 52 HG22 THR 52 -2.466 -5.287 0.538 390 3HG2 THR 52 HG23 THR 52 -1.569 -6.452 -0.433 391 H PHE 53 HN PHE 53 -2.874 -2.590 -1.419 392 HA PHE 53 HA PHE 53 -1.380 -2.658 -3.881 393 1HB PHE 53 HB2 PHE 53 -1.095 -1.048 -1.316 394 2HB PHE 53 HB1 PHE 53 -0.256 -0.664 -2.819 395 HD1 PHE 53 HD1 PHE 53 -1.484 0.144 -4.785 396 HD2 PHE 53 HD2 PHE 53 -3.507 -0.725 -1.097 397 HE1 PHE 53 HE1 PHE 53 -3.484 1.367 -5.593 398 HE2 PHE 53 HE2 PHE 53 -5.506 0.498 -1.903 399 HZ PHE 53 HZ PHE 53 -5.495 1.545 -4.152 400 H THR 54 HN THR 54 0.468 -3.847 -4.273 401 HA THR 54 HA THR 54 2.019 -4.803 -1.880 402 HB THR 54 HB THR 54 1.650 -5.988 -4.645 403 HG1 THR 54 HG1 THR 54 0.602 -6.763 -2.131 404 1HG2 THR 54 HG21 THR 54 3.729 -6.471 -2.927 405 2HG2 THR 54 HG22 THR 54 3.102 -7.643 -4.084 406 3HG2 THR 54 HG23 THR 54 2.557 -7.681 -2.408 407 H VAL 55 HN VAL 55 3.696 -3.196 -1.777 408 HA VAL 55 HA VAL 55 5.299 -2.745 -4.214 409 HB VAL 55 HB VAL 55 4.539 -0.793 -2.819 410 1HG1 VAL 55 HG11 VAL 55 5.418 -0.404 -0.645 411 2HG1 VAL 55 HG12 VAL 55 6.552 -1.754 -0.803 412 3HG1 VAL 55 HG13 VAL 55 4.826 -2.070 -0.625 413 1HG2 VAL 55 HG21 VAL 55 6.621 -0.756 -4.232 414 2HG2 VAL 55 HG22 VAL 55 7.536 -1.152 -2.777 415 3HG2 VAL 55 HG23 VAL 55 6.646 0.365 -2.872 416 H THR 56 HN THR 56 7.731 -2.797 -3.851 417 HA THR 56 HA THR 56 8.755 -4.501 -1.692 418 HB THR 56 HB THR 56 8.617 -5.376 -4.592 419 HG1 THR 56 HG1 THR 56 6.732 -5.938 -3.780 420 1HG2 THR 56 HG21 THR 56 9.455 -7.567 -3.239 421 2HG2 THR 56 HG22 THR 56 10.219 -6.307 -2.271 422 3HG2 THR 56 HG23 THR 56 10.565 -6.425 -3.996 423 H GLU 57 HN GLU 57 10.501 -3.164 -1.240 424 HA GLU 57 HA GLU 57 11.921 -1.613 -3.230 425 1HB GLU 57 HB2 GLU 57 11.633 -1.519 -0.557 426 2HB GLU 57 HB1 GLU 57 13.176 -2.372 -0.629 427 1HG GLU 57 HG2 GLU 57 14.172 -0.600 -1.936 428 2HG GLU 57 HG1 GLU 57 12.615 0.209 -2.112 Start of MODEL 23 1 1H MET 1 HT1 MET 1 -16.973 -0.424 4.451 2 2H MET 1 HT2 MET 1 -17.399 -0.078 2.843 3 3H MET 1 HT3 MET 1 -17.737 1.043 4.075 4 HA MET 1 HA MET 1 -15.820 1.813 2.861 5 1HB MET 1 HB2 MET 1 -15.396 0.621 5.615 6 2HB MET 1 HB1 MET 1 -14.248 1.735 4.872 7 1HG MET 1 HG2 MET 1 -16.389 3.224 4.493 8 2HG MET 1 HG1 MET 1 -17.052 2.253 5.808 9 1HE MET 1 HE1 MET 1 -15.767 3.594 8.886 10 2HE MET 1 HE2 MET 1 -16.447 2.200 8.051 11 3HE MET 1 HE3 MET 1 -17.212 3.778 7.881 12 H THR 2 HN THR 2 -13.731 1.358 1.984 13 HA THR 2 HA THR 2 -13.157 -1.550 1.608 14 HB THR 2 HB THR 2 -11.985 0.815 0.130 15 HG1 THR 2 HG1 THR 2 -13.731 0.792 -1.176 16 1HG2 THR 2 HG21 THR 2 -12.399 -2.119 -0.461 17 2HG2 THR 2 HG22 THR 2 -10.874 -1.237 -0.374 18 3HG2 THR 2 HG23 THR 2 -11.987 -0.947 -1.713 19 H THR 3 HN THR 3 -11.642 -2.293 3.038 20 HA THR 3 HA THR 3 -9.585 -0.480 4.090 21 HB THR 3 HB THR 3 -10.925 -1.837 5.628 22 HG1 THR 3 HG1 THR 3 -9.194 -2.771 6.726 23 1HG2 THR 3 HG21 THR 3 -10.414 -3.884 3.646 24 2HG2 THR 3 HG22 THR 3 -11.568 -3.891 4.979 25 3HG2 THR 3 HG23 THR 3 -9.914 -4.438 5.244 26 H PHE 4 HN PHE 4 -8.413 -0.444 1.956 27 HA PHE 4 HA PHE 4 -7.280 -2.779 0.740 28 1HB PHE 4 HB2 PHE 4 -6.382 0.119 0.882 29 2HB PHE 4 HB1 PHE 4 -5.691 -1.069 -0.220 30 HD1 PHE 4 HD1 PHE 4 -7.109 -2.103 -1.995 31 HD2 PHE 4 HD2 PHE 4 -8.537 1.095 0.493 32 HE1 PHE 4 HE1 PHE 4 -8.952 -1.678 -3.599 33 HE2 PHE 4 HE2 PHE 4 -10.381 1.519 -1.109 34 HZ PHE 4 HZ PHE 4 -10.587 0.133 -3.155 35 H LYS 5 HN LYS 5 -4.866 -3.291 0.797 36 HA LYS 5 HA LYS 5 -3.631 -2.731 3.468 37 1HB LYS 5 HB2 LYS 5 -4.856 -4.890 3.470 38 2HB LYS 5 HB1 LYS 5 -3.899 -5.421 2.087 39 1HG LYS 5 HG2 LYS 5 -1.872 -5.395 3.365 40 2HG LYS 5 HG1 LYS 5 -2.651 -4.548 4.702 41 1HD LYS 5 HD2 LYS 5 -2.458 -6.899 5.288 42 2HD LYS 5 HD1 LYS 5 -4.159 -6.529 5.002 43 1HE LYS 5 HE2 LYS 5 -3.884 -7.374 2.643 44 2HE LYS 5 HE1 LYS 5 -2.249 -7.905 3.083 45 1HZ LYS 5 HZ1 LYS 5 -4.005 -9.628 3.415 46 2HZ LYS 5 HZ2 LYS 5 -4.684 -8.636 4.616 47 3HZ LYS 5 HZ3 LYS 5 -3.117 -9.262 4.813 48 H LEU 6 HN LEU 6 -1.608 -1.919 3.122 49 HA LEU 6 HA LEU 6 -0.225 -2.486 0.542 50 1HB LEU 6 HB2 LEU 6 -0.548 -0.150 1.191 51 2HB LEU 6 HB1 LEU 6 0.194 -0.453 2.761 52 HG LEU 6 HG LEU 6 2.308 -1.118 1.538 53 1HD1 LEU 6 HD11 LEU 6 0.640 -0.160 -0.786 54 2HD1 LEU 6 HD12 LEU 6 1.552 -1.661 -0.638 55 3HD1 LEU 6 HD13 LEU 6 2.404 -0.129 -0.843 56 1HD2 LEU 6 HD21 LEU 6 2.525 1.017 2.401 57 2HD2 LEU 6 HD22 LEU 6 1.111 1.623 1.535 58 3HD2 LEU 6 HD23 LEU 6 2.636 1.389 0.680 59 H ILE 7 HN ILE 7 1.539 -3.838 0.512 60 HA ILE 7 HA ILE 7 2.463 -5.074 3.013 61 HB ILE 7 HB ILE 7 2.074 -6.040 0.566 62 1HG1 ILE 7 HG12 ILE 7 3.986 -7.714 1.080 63 2HG1 ILE 7 HG11 ILE 7 4.227 -6.752 2.538 64 1HG2 ILE 7 HG21 ILE 7 3.955 -6.103 -0.866 65 2HG2 ILE 7 HG22 ILE 7 5.029 -5.463 0.376 66 3HG2 ILE 7 HG23 ILE 7 3.828 -4.415 -0.376 67 1HD1 ILE 7 HD11 ILE 7 1.540 -7.888 1.728 68 2HD1 ILE 7 HD12 ILE 7 1.974 -7.161 3.274 69 3HD1 ILE 7 HD13 ILE 7 2.653 -8.722 2.813 70 H ILE 8 HN ILE 8 4.912 -5.107 3.457 71 HA ILE 8 HA ILE 8 6.134 -2.478 2.673 72 HB ILE 8 HB ILE 8 6.279 -3.983 5.311 73 1HG1 ILE 8 HG12 ILE 8 4.977 -1.308 4.762 74 2HG1 ILE 8 HG11 ILE 8 4.078 -2.823 4.671 75 1HG2 ILE 8 HG21 ILE 8 7.167 -1.146 4.865 76 2HG2 ILE 8 HG22 ILE 8 8.261 -2.473 4.477 77 3HG2 ILE 8 HG23 ILE 8 7.660 -2.278 6.123 78 1HD1 ILE 8 HD11 ILE 8 3.710 -2.337 6.891 79 2HD1 ILE 8 HD12 ILE 8 5.217 -1.435 7.052 80 3HD1 ILE 8 HD13 ILE 8 5.240 -3.199 7.056 81 H ASN 9 HN ASN 9 7.056 -3.983 0.909 82 HA ASN 9 HA ASN 9 9.237 -5.757 1.882 83 1HB ASN 9 HB2 ASN 9 7.455 -5.593 -0.388 84 2HB ASN 9 HB1 ASN 9 9.120 -5.576 -0.966 85 1HD2 ASN 9 HD21 ASN 9 6.669 -7.696 -0.301 86 2HD2 ASN 9 HD22 ASN 9 7.577 -9.065 0.124 87 H GLY 10 HN GLY 10 9.660 -3.093 2.495 88 1HA GLY 10 HA2 GLY 10 11.552 -2.099 0.421 89 2HA GLY 10 HA1 GLY 10 10.826 -1.101 1.682 90 H LYS 11 HN LYS 11 13.632 -1.275 1.168 91 HA LYS 11 HA LYS 11 14.899 -3.029 3.124 92 1HB LYS 11 HB2 LYS 11 15.885 -2.126 0.980 93 2HB LYS 11 HB1 LYS 11 15.950 -0.539 1.746 94 1HG LYS 11 HG2 LYS 11 17.607 -1.177 3.245 95 2HG LYS 11 HG1 LYS 11 17.160 -2.882 3.172 96 1HD LYS 11 HD2 LYS 11 18.252 -1.479 0.740 97 2HD LYS 11 HD1 LYS 11 19.340 -2.131 1.965 98 1HE LYS 11 HE2 LYS 11 18.492 -4.367 1.651 99 2HE LYS 11 HE1 LYS 11 17.167 -3.777 0.628 100 1HZ LYS 11 HZ1 LYS 11 18.819 -2.882 -0.910 101 2HZ LYS 11 HZ2 LYS 11 18.994 -4.563 -0.739 102 3HZ LYS 11 HZ3 LYS 11 20.070 -3.509 0.047 103 H THR 12 HN THR 12 13.079 -0.180 3.478 104 HA THR 12 HA THR 12 14.650 0.806 5.805 105 HB THR 12 HB THR 12 12.116 1.940 4.606 106 HG1 THR 12 HG1 THR 12 13.347 2.953 3.110 107 1HG2 THR 12 HG21 THR 12 13.398 2.705 6.818 108 2HG2 THR 12 HG22 THR 12 12.669 3.879 5.722 109 3HG2 THR 12 HG23 THR 12 14.401 3.555 5.642 110 H LEU 13 HN LEU 13 11.469 -0.559 4.955 111 HA LEU 13 HA LEU 13 11.030 -1.120 7.867 112 1HB LEU 13 HB2 LEU 13 9.634 0.723 6.151 113 2HB LEU 13 HB1 LEU 13 8.529 -0.557 6.648 114 HG LEU 13 HG LEU 13 8.507 1.284 8.269 115 1HD1 LEU 13 HD11 LEU 13 9.992 -0.964 9.598 116 2HD1 LEU 13 HD12 LEU 13 8.376 -1.216 8.939 117 3HD1 LEU 13 HD13 LEU 13 8.632 -0.026 10.214 118 1HD2 LEU 13 HD21 LEU 13 11.276 0.691 9.177 119 2HD2 LEU 13 HD22 LEU 13 10.381 2.210 9.224 120 3HD2 LEU 13 HD23 LEU 13 11.105 1.661 7.713 121 H LYS 14 HN LYS 14 9.362 -2.851 8.182 122 HA LYS 14 HA LYS 14 8.793 -4.565 5.830 123 1HB LYS 14 HB2 LYS 14 11.101 -4.913 7.244 124 2HB LYS 14 HB1 LYS 14 10.007 -5.965 8.142 125 1HG LYS 14 HG2 LYS 14 9.776 -7.436 6.404 126 2HG LYS 14 HG1 LYS 14 9.847 -6.164 5.184 127 1HD LYS 14 HD2 LYS 14 12.314 -6.803 6.768 128 2HD LYS 14 HD1 LYS 14 11.852 -7.858 5.432 129 1HE LYS 14 HE2 LYS 14 11.766 -4.942 4.852 130 2HE LYS 14 HE1 LYS 14 13.379 -5.651 5.068 131 1HZ LYS 14 HZ1 LYS 14 12.751 -5.970 2.802 132 2HZ LYS 14 HZ2 LYS 14 11.234 -6.595 3.242 133 3HZ LYS 14 HZ3 LYS 14 12.648 -7.478 3.572 134 H GLY 15 HN GLY 15 6.867 -5.691 6.121 135 1HA GLY 15 HA2 GLY 15 5.606 -6.956 8.038 136 2HA GLY 15 HA1 GLY 15 5.506 -5.342 8.742 137 H GLU 16 HN GLU 16 3.289 -5.014 8.552 138 HA GLU 16 HA GLU 16 2.265 -4.643 5.777 139 1HB GLU 16 HB2 GLU 16 1.445 -6.640 7.817 140 2HB GLU 16 HB1 GLU 16 0.129 -5.819 6.978 141 1HG GLU 16 HG2 GLU 16 0.635 -6.774 4.958 142 2HG GLU 16 HG1 GLU 16 2.370 -6.777 5.278 143 H THR 17 HN THR 17 0.352 -3.252 5.730 144 HA THR 17 HA THR 17 -0.356 -1.856 8.265 145 HB THR 17 HB THR 17 0.608 -0.475 5.738 146 HG1 THR 17 HG1 THR 17 2.460 -0.060 6.945 147 1HG2 THR 17 HG21 THR 17 -0.997 0.844 7.040 148 2HG2 THR 17 HG22 THR 17 0.621 1.530 7.196 149 3HG2 THR 17 HG23 THR 17 -0.059 0.564 8.506 150 H THR 18 HN THR 18 -2.513 -1.246 8.266 151 HA THR 18 HA THR 18 -4.029 -1.555 5.692 152 HB THR 18 HB THR 18 -5.896 -2.257 7.220 153 HG1 THR 18 HG1 THR 18 -5.575 -2.323 9.331 154 1HG2 THR 18 HG21 THR 18 -4.226 -3.862 6.164 155 2HG2 THR 18 HG22 THR 18 -5.047 -4.461 7.606 156 3HG2 THR 18 HG23 THR 18 -3.388 -3.872 7.716 157 H THR 19 HN THR 19 -6.030 -0.188 5.608 158 HA THR 19 HA THR 19 -6.105 2.175 7.393 159 HB THR 19 HB THR 19 -4.427 2.711 5.668 160 HG1 THR 19 HG1 THR 19 -5.476 4.574 4.873 161 1HG2 THR 19 HG21 THR 19 -5.428 1.108 3.965 162 2HG2 THR 19 HG22 THR 19 -4.931 2.674 3.324 163 3HG2 THR 19 HG23 THR 19 -6.636 2.348 3.632 164 H GLU 20 HN GLU 20 -7.819 3.750 5.942 165 HA GLU 20 HA GLU 20 -10.140 1.977 5.278 166 1HB GLU 20 HB2 GLU 20 -11.547 3.539 6.582 167 2HB GLU 20 HB1 GLU 20 -10.275 2.850 7.588 168 1HG GLU 20 HG2 GLU 20 -8.901 4.932 7.068 169 2HG GLU 20 HG1 GLU 20 -10.366 5.618 6.368 170 H ALA 21 HN ALA 21 -10.856 2.441 3.250 171 HA ALA 21 HA ALA 21 -10.952 5.256 2.312 172 1HB ALA 21 HB1 ALA 21 -8.755 3.725 1.799 173 2HB ALA 21 HB2 ALA 21 -9.323 4.998 0.719 174 3HB ALA 21 HB3 ALA 21 -9.760 3.318 0.408 175 H VAL 22 HN VAL 22 -12.317 5.463 0.377 176 HA VAL 22 HA VAL 22 -14.542 3.574 0.353 177 HB VAL 22 HB VAL 22 -14.816 6.011 0.120 178 1HG1 VAL 22 HG11 VAL 22 -14.158 6.955 -2.205 179 2HG1 VAL 22 HG12 VAL 22 -13.060 5.581 -2.294 180 3HG1 VAL 22 HG13 VAL 22 -12.885 6.766 -1.002 181 1HG2 VAL 22 HG21 VAL 22 -16.565 4.703 -0.881 182 2HG2 VAL 22 HG22 VAL 22 -15.576 4.355 -2.299 183 3HG2 VAL 22 HG23 VAL 22 -16.179 5.989 -2.025 184 H ASP 23 HN ASP 23 -11.652 4.086 -1.569 185 HA ASP 23 HA ASP 23 -11.955 1.560 -2.946 186 1HB ASP 23 HB2 ASP 23 -12.253 2.576 -5.229 187 2HB ASP 23 HB1 ASP 23 -13.648 2.791 -4.177 188 H ALA 24 HN ALA 24 -10.261 1.582 -4.909 189 HA ALA 24 HA ALA 24 -7.680 2.010 -3.870 190 1HB ALA 24 HB1 ALA 24 -8.027 0.502 -5.685 191 2HB ALA 24 HB2 ALA 24 -7.059 1.815 -6.356 192 3HB ALA 24 HB3 ALA 24 -8.794 1.751 -6.667 193 H ALA 25 HN ALA 25 -9.824 4.238 -5.520 194 HA ALA 25 HA ALA 25 -7.975 6.186 -6.458 195 1HB ALA 25 HB1 ALA 25 -9.897 7.444 -6.792 196 2HB ALA 25 HB2 ALA 25 -10.583 6.994 -5.231 197 3HB ALA 25 HB3 ALA 25 -10.622 5.851 -6.574 198 H THR 26 HN THR 26 -9.129 5.494 -3.211 199 HA THR 26 HA THR 26 -7.709 7.917 -2.167 200 HB THR 26 HB THR 26 -9.773 6.086 -0.898 201 HG1 THR 26 HG1 THR 26 -10.914 7.168 -2.335 202 1HG2 THR 26 HG21 THR 26 -9.710 7.432 0.963 203 2HG2 THR 26 HG22 THR 26 -9.243 8.862 0.042 204 3HG2 THR 26 HG23 THR 26 -8.038 7.637 0.438 205 H ALA 27 HN ALA 27 -7.846 4.403 -2.057 206 HA ALA 27 HA ALA 27 -6.291 3.890 0.275 207 1HB ALA 27 HB1 ALA 27 -6.462 1.738 -0.486 208 2HB ALA 27 HB2 ALA 27 -5.874 2.159 -2.094 209 3HB ALA 27 HB3 ALA 27 -7.561 2.447 -1.668 210 H GLU 28 HN GLU 28 -5.178 4.021 -3.136 211 HA GLU 28 HA GLU 28 -2.383 3.831 -2.605 212 1HB GLU 28 HB2 GLU 28 -3.684 3.631 -4.797 213 2HB GLU 28 HB1 GLU 28 -3.704 5.396 -4.839 214 1HG GLU 28 HG2 GLU 28 -1.158 5.278 -4.552 215 2HG GLU 28 HG1 GLU 28 -1.304 3.561 -4.928 216 H LYS 29 HN LYS 29 -4.487 6.714 -2.880 217 HA LYS 29 HA LYS 29 -2.487 8.724 -2.680 218 1HB LYS 29 HB2 LYS 29 -5.387 8.485 -1.907 219 2HB LYS 29 HB1 LYS 29 -4.498 9.971 -1.579 220 1HG LYS 29 HG2 LYS 29 -3.964 10.256 -3.916 221 2HG LYS 29 HG1 LYS 29 -4.621 8.666 -4.308 222 1HD LYS 29 HD2 LYS 29 -6.374 10.117 -4.900 223 2HD LYS 29 HD1 LYS 29 -6.833 9.582 -3.283 224 1HE LYS 29 HE2 LYS 29 -6.275 11.633 -2.301 225 2HE LYS 29 HE1 LYS 29 -5.151 12.062 -3.606 226 1HZ LYS 29 HZ1 LYS 29 -6.991 12.244 -5.128 227 2HZ LYS 29 HZ2 LYS 29 -7.286 13.247 -3.788 228 3HZ LYS 29 HZ3 LYS 29 -8.090 11.756 -3.931 229 H VAL 30 HN VAL 30 -4.097 6.815 -0.171 230 HA VAL 30 HA VAL 30 -2.819 8.275 2.041 231 HB VAL 30 HB VAL 30 -4.456 5.720 1.845 232 1HG1 VAL 30 HG11 VAL 30 -3.415 5.506 3.925 233 2HG1 VAL 30 HG12 VAL 30 -4.873 6.406 4.348 234 3HG1 VAL 30 HG13 VAL 30 -3.334 7.250 4.176 235 1HG2 VAL 30 HG21 VAL 30 -5.536 7.903 1.136 236 2HG2 VAL 30 HG22 VAL 30 -5.288 8.478 2.785 237 3HG2 VAL 30 HG23 VAL 30 -6.332 7.088 2.483 238 H PHE 31 HN PHE 31 -2.595 4.979 0.649 239 HA PHE 31 HA PHE 31 -0.431 4.098 2.319 240 1HB PHE 31 HB2 PHE 31 -1.742 3.273 -0.243 241 2HB PHE 31 HB1 PHE 31 -0.205 2.519 0.179 242 HD1 PHE 31 HD1 PHE 31 -3.534 1.891 0.309 243 HD2 PHE 31 HD2 PHE 31 -0.194 2.149 2.995 244 HE1 PHE 31 HE1 PHE 31 -4.700 0.394 1.904 245 HE2 PHE 31 HE2 PHE 31 -1.360 0.651 4.591 246 HZ PHE 31 HZ PHE 31 -3.614 -0.226 4.044 247 H LYS 32 HN LYS 32 -0.509 5.765 -0.819 248 HA LYS 32 HA LYS 32 2.275 5.499 -1.456 249 1HB LYS 32 HB2 LYS 32 0.459 6.219 -3.007 250 2HB LYS 32 HB1 LYS 32 0.317 7.730 -2.107 251 1HG LYS 32 HG2 LYS 32 2.888 7.939 -2.563 252 2HG LYS 32 HG1 LYS 32 2.575 6.775 -3.849 253 1HD LYS 32 HD2 LYS 32 0.534 8.779 -3.983 254 2HD LYS 32 HD1 LYS 32 2.087 9.604 -3.852 255 1HE LYS 32 HE2 LYS 32 2.956 8.221 -5.742 256 2HE LYS 32 HE1 LYS 32 1.345 7.494 -5.911 257 1HZ LYS 32 HZ1 LYS 32 1.490 9.387 -7.363 258 2HZ LYS 32 HZ2 LYS 32 2.016 10.384 -6.092 259 3HZ LYS 32 HZ3 LYS 32 0.434 9.765 -6.091 260 H GLN 33 HN GLN 33 0.444 7.967 0.352 261 HA GLN 33 HA GLN 33 2.582 9.787 0.850 262 1HB GLN 33 HB2 GLN 33 0.143 10.186 1.207 263 2HB GLN 33 HB1 GLN 33 0.192 9.081 2.581 264 1HG GLN 33 HG2 GLN 33 0.488 11.125 3.654 265 2HG GLN 33 HG1 GLN 33 2.164 10.649 3.379 266 1HE2 GLN 33 HE21 GLN 33 3.440 12.081 2.167 267 2HE2 GLN 33 HE22 GLN 33 2.831 13.392 1.278 268 H TYR 34 HN TYR 34 1.682 6.780 2.348 269 HA TYR 34 HA TYR 34 3.363 7.031 4.708 270 1HB TYR 34 HB2 TYR 34 1.575 5.542 4.943 271 2HB TYR 34 HB1 TYR 34 1.723 4.941 3.297 272 HD1 TYR 34 HD1 TYR 34 3.044 3.016 2.801 273 HD2 TYR 34 HD2 TYR 34 3.210 4.808 6.695 274 HE1 TYR 34 HE1 TYR 34 4.311 1.058 3.640 275 HE2 TYR 34 HE2 TYR 34 4.483 2.851 7.544 276 HH TYR 34 HH TYR 34 6.116 0.979 6.145 277 H ALA 35 HN ALA 35 3.651 5.106 1.694 278 HA ALA 35 HA ALA 35 6.337 4.207 2.158 279 1HB ALA 35 HB1 ALA 35 4.386 4.383 -0.089 280 2HB ALA 35 HB2 ALA 35 5.265 2.980 0.524 281 3HB ALA 35 HB3 ALA 35 6.076 4.139 -0.530 282 H ASN 36 HN ASN 36 5.049 6.973 0.295 283 HA ASN 36 HA ASN 36 7.454 7.963 -0.785 284 1HB ASN 36 HB2 ASN 36 5.091 8.685 -1.262 285 2HB ASN 36 HB1 ASN 36 5.102 9.556 0.272 286 1HD2 ASN 36 HD21 ASN 36 5.532 10.074 -2.975 287 2HD2 ASN 36 HD22 ASN 36 6.593 11.397 -2.916 288 H ASP 37 HN ASP 37 6.033 8.469 2.427 289 HA ASP 37 HA ASP 37 8.004 10.435 3.287 290 1HB ASP 37 HB2 ASP 37 5.545 9.774 4.086 291 2HB ASP 37 HB1 ASP 37 6.440 8.715 5.177 292 H ASN 38 HN ASN 38 7.468 6.973 4.055 293 HA ASN 38 HA ASN 38 9.840 6.652 5.653 294 1HB ASN 38 HB2 ASN 38 7.901 4.882 4.186 295 2HB ASN 38 HB1 ASN 38 9.351 4.170 4.894 296 1HD2 ASN 38 HD21 ASN 38 6.743 6.481 5.865 297 2HD2 ASN 38 HD22 ASN 38 6.605 5.881 7.447 298 H GLY 39 HN GLY 39 9.161 5.844 2.232 299 1HA GLY 39 HA2 GLY 39 11.017 6.494 0.625 300 2HA GLY 39 HA1 GLY 39 12.116 5.730 1.774 301 H ILE 40 HN ILE 40 9.074 4.869 0.071 302 HA ILE 40 HA ILE 40 10.354 2.248 -0.627 303 HB ILE 40 HB ILE 40 7.521 2.821 0.304 304 1HG1 ILE 40 HG12 ILE 40 9.759 1.226 1.593 305 2HG1 ILE 40 HG11 ILE 40 9.299 2.862 2.064 306 1HG2 ILE 40 HG21 ILE 40 7.607 0.178 0.370 307 2HG2 ILE 40 HG22 ILE 40 8.853 0.391 -0.858 308 3HG2 ILE 40 HG23 ILE 40 7.221 1.005 -1.141 309 1HD1 ILE 40 HD11 ILE 40 7.335 0.561 2.037 310 2HD1 ILE 40 HD12 ILE 40 7.132 2.145 2.787 311 3HD1 ILE 40 HD13 ILE 40 8.282 0.989 3.462 312 H ASP 41 HN ASP 41 10.800 3.492 -2.686 313 HA ASP 41 HA ASP 41 8.408 3.936 -4.409 314 1HB ASP 41 HB2 ASP 41 10.628 5.410 -4.011 315 2HB ASP 41 HB1 ASP 41 11.216 4.388 -5.324 316 H GLY 42 HN GLY 42 9.037 1.244 -3.677 317 1HA GLY 42 HA2 GLY 42 10.654 -0.127 -5.595 318 2HA GLY 42 HA1 GLY 42 9.389 -0.863 -4.607 319 H GLU 43 HN GLU 43 8.241 -2.019 -6.070 320 HA GLU 43 HA GLU 43 7.143 -0.580 -8.413 321 1HB GLU 43 HB2 GLU 43 7.142 -2.808 -9.532 322 2HB GLU 43 HB1 GLU 43 8.761 -2.324 -9.034 323 1HG GLU 43 HG2 GLU 43 7.629 -3.702 -6.823 324 2HG GLU 43 HG1 GLU 43 7.247 -4.657 -8.251 325 H TRP 44 HN TRP 44 5.183 0.021 -7.593 326 HA TRP 44 HA TRP 44 3.643 -1.497 -5.753 327 1HB TRP 44 HB2 TRP 44 3.152 0.835 -7.577 328 2HB TRP 44 HB1 TRP 44 1.849 0.172 -6.581 329 HD1 TRP 44 HD1 TRP 44 5.521 1.303 -6.112 330 HE1 TRP 44 HE1 TRP 44 5.727 2.373 -3.772 331 HE3 TRP 44 HE3 TRP 44 0.747 0.656 -4.418 332 HZ2 TRP 44 HZ2 TRP 44 4.091 2.854 -1.486 333 HZ3 TRP 44 HZ3 TRP 44 0.098 1.433 -2.156 334 HH2 TRP 44 HH2 TRP 44 1.763 2.539 -0.689 335 H THR 45 HN THR 45 1.941 -2.825 -5.993 336 HA THR 45 HA THR 45 0.787 -3.420 -8.643 337 HB THR 45 HB THR 45 1.254 -5.904 -8.125 338 HG1 THR 45 HG1 THR 45 3.295 -4.739 -6.544 339 1HG2 THR 45 HG21 THR 45 3.752 -4.294 -8.643 340 2HG2 THR 45 HG22 THR 45 2.444 -4.375 -9.824 341 3HG2 THR 45 HG23 THR 45 3.285 -5.847 -9.338 342 H TYR 46 HN TYR 46 -1.368 -3.791 -8.322 343 HA TYR 46 HA TYR 46 -2.309 -4.112 -5.512 344 1HB TYR 46 HB2 TYR 46 -3.165 -2.174 -6.592 345 2HB TYR 46 HB1 TYR 46 -3.419 -3.024 -8.110 346 HD1 TYR 46 HD1 TYR 46 -5.332 -4.565 -8.385 347 HD2 TYR 46 HD2 TYR 46 -4.810 -2.252 -4.804 348 HE1 TYR 46 HE1 TYR 46 -7.692 -4.991 -7.764 349 HE2 TYR 46 HE2 TYR 46 -7.164 -2.675 -4.184 350 HH TYR 46 HH TYR 46 -9.285 -3.265 -5.314 351 H ASP 47 HN ASP 47 -3.184 -6.047 -4.902 352 HA ASP 47 HA ASP 47 -3.645 -8.146 -6.962 353 1HB ASP 47 HB2 ASP 47 -3.115 -8.000 -4.010 354 2HB ASP 47 HB1 ASP 47 -3.877 -9.449 -4.666 355 H ASP 48 HN ASP 48 -5.726 -8.018 -7.755 356 HA ASP 48 HA ASP 48 -7.992 -6.972 -6.328 357 1HB ASP 48 HB2 ASP 48 -7.493 -7.388 -8.869 358 2HB ASP 48 HB1 ASP 48 -8.166 -8.988 -8.557 359 H ALA 49 HN ALA 49 -6.459 -10.105 -6.285 360 HA ALA 49 HA ALA 49 -8.547 -11.857 -5.643 361 1HB ALA 49 HB1 ALA 49 -6.376 -12.727 -5.987 362 2HB ALA 49 HB2 ALA 49 -6.650 -12.970 -4.262 363 3HB ALA 49 HB3 ALA 49 -5.658 -11.621 -4.815 364 H THR 50 HN THR 50 -6.811 -9.596 -3.508 365 HA THR 50 HA THR 50 -9.023 -9.817 -1.531 366 HB THR 50 HB THR 50 -7.352 -10.232 0.268 367 HG1 THR 50 HG1 THR 50 -5.263 -10.453 -0.215 368 1HG2 THR 50 HG21 THR 50 -8.522 -12.101 -1.005 369 2HG2 THR 50 HG22 THR 50 -7.021 -12.555 -0.197 370 3HG2 THR 50 HG23 THR 50 -7.036 -12.275 -1.939 371 H LYS 51 HN LYS 51 -7.671 -7.730 -3.410 372 HA LYS 51 HA LYS 51 -7.088 -5.441 -3.323 373 1HB LYS 51 HB2 LYS 51 -9.234 -6.079 -1.506 374 2HB LYS 51 HB1 LYS 51 -8.273 -4.775 -0.812 375 1HG LYS 51 HG2 LYS 51 -9.536 -3.435 -2.146 376 2HG LYS 51 HG1 LYS 51 -8.437 -3.966 -3.419 377 1HD LYS 51 HD2 LYS 51 -10.660 -4.334 -4.247 378 2HD LYS 51 HD1 LYS 51 -10.022 -5.920 -3.809 379 1HE LYS 51 HE2 LYS 51 -11.139 -5.494 -1.494 380 2HE LYS 51 HE1 LYS 51 -12.070 -4.250 -2.351 381 1HZ LYS 51 HZ1 LYS 51 -13.081 -6.523 -2.411 382 2HZ LYS 51 HZ2 LYS 51 -11.754 -7.029 -3.344 383 3HZ LYS 51 HZ3 LYS 51 -12.807 -5.833 -3.936 384 H THR 52 HN THR 52 -4.786 -5.703 -2.975 385 HA THR 52 HA THR 52 -3.888 -4.752 -0.326 386 HB THR 52 HB THR 52 -3.003 -7.406 -1.501 387 HG1 THR 52 HG1 THR 52 -4.318 -8.316 -0.068 388 1HG2 THR 52 HG21 THR 52 -2.449 -6.551 1.305 389 2HG2 THR 52 HG22 THR 52 -1.475 -5.835 0.021 390 3HG2 THR 52 HG23 THR 52 -1.499 -7.585 0.238 391 H PHE 53 HN PHE 53 -2.744 -3.007 -1.145 392 HA PHE 53 HA PHE 53 -1.298 -2.933 -3.624 393 1HB PHE 53 HB2 PHE 53 -1.137 -1.391 -1.017 394 2HB PHE 53 HB1 PHE 53 -0.188 -0.950 -2.436 395 HD1 PHE 53 HD1 PHE 53 -1.233 -0.008 -4.414 396 HD2 PHE 53 HD2 PHE 53 -3.597 -1.210 -1.036 397 HE1 PHE 53 HE1 PHE 53 -3.182 1.213 -5.343 398 HE2 PHE 53 HE2 PHE 53 -5.546 0.011 -1.961 399 HZ PHE 53 HZ PHE 53 -5.337 1.224 -4.117 400 H THR 54 HN THR 54 0.806 -3.624 -4.101 401 HA THR 54 HA THR 54 2.435 -4.660 -1.787 402 HB THR 54 HB THR 54 2.037 -5.857 -4.545 403 HG1 THR 54 HG1 THR 54 0.220 -6.250 -3.447 404 1HG2 THR 54 HG21 THR 54 3.613 -7.414 -4.036 405 2HG2 THR 54 HG22 THR 54 3.128 -7.488 -2.342 406 3HG2 THR 54 HG23 THR 54 4.198 -6.201 -2.898 407 H VAL 55 HN VAL 55 4.059 -3.019 -1.734 408 HA VAL 55 HA VAL 55 5.476 -2.431 -4.259 409 HB VAL 55 HB VAL 55 4.619 -0.520 -2.867 410 1HG1 VAL 55 HG11 VAL 55 6.786 -1.284 -0.928 411 2HG1 VAL 55 HG12 VAL 55 5.096 -1.720 -0.664 412 3HG1 VAL 55 HG13 VAL 55 5.565 -0.016 -0.740 413 1HG2 VAL 55 HG21 VAL 55 7.634 -0.651 -2.963 414 2HG2 VAL 55 HG22 VAL 55 6.631 0.795 -3.031 415 3HG2 VAL 55 HG23 VAL 55 6.622 -0.346 -4.374 416 H THR 56 HN THR 56 7.897 -2.293 -4.040 417 HA THR 56 HA THR 56 9.220 -3.797 -1.905 418 HB THR 56 HB THR 56 8.857 -4.874 -4.716 419 HG1 THR 56 HG1 THR 56 7.828 -6.566 -3.615 420 1HG2 THR 56 HG21 THR 56 11.161 -5.252 -3.767 421 2HG2 THR 56 HG22 THR 56 10.265 -6.740 -4.077 422 3HG2 THR 56 HG23 THR 56 10.408 -6.123 -2.431 423 H GLU 57 HN GLU 57 11.041 -2.483 -1.701 424 HA GLU 57 HA GLU 57 12.417 -1.624 -4.228 425 1HB GLU 57 HB2 GLU 57 13.054 0.412 -2.948 426 2HB GLU 57 HB1 GLU 57 11.305 0.230 -3.061 427 1HG GLU 57 HG2 GLU 57 11.077 -0.317 -0.818 428 2HG GLU 57 HG1 GLU 57 12.711 -0.967 -0.703 Start of MODEL 24 1 1H MET 1 HT1 MET 1 17.275 -1.756 0.197 2 2H MET 1 HT2 MET 1 17.392 -3.273 0.952 3 3H MET 1 HT3 MET 1 17.458 -1.850 1.880 4 HA MET 1 HA MET 1 15.077 -2.609 0.274 5 1HB MET 1 HB2 MET 1 14.211 -3.475 2.447 6 2HB MET 1 HB1 MET 1 15.628 -4.368 1.899 7 1HG MET 1 HG2 MET 1 17.065 -3.074 3.400 8 2HG MET 1 HG1 MET 1 15.690 -2.090 3.903 9 1HE MET 1 HE1 MET 1 16.838 -5.555 3.222 10 2HE MET 1 HE2 MET 1 16.398 -6.541 4.614 11 3HE MET 1 HE3 MET 1 17.718 -5.382 4.746 12 H THR 2 HN THR 2 13.436 -1.086 0.499 13 HA THR 2 HA THR 2 14.078 1.340 2.132 14 HB THR 2 HB THR 2 13.943 1.610 -0.309 15 HG1 THR 2 HG1 THR 2 13.127 3.449 0.217 16 1HG2 THR 2 HG21 THR 2 11.272 1.382 -0.958 17 2HG2 THR 2 HG22 THR 2 11.545 -0.031 0.062 18 3HG2 THR 2 HG23 THR 2 12.527 0.218 -1.381 19 H THR 3 HN THR 3 11.653 2.513 2.392 20 HA THR 3 HA THR 3 9.910 0.482 3.665 21 HB THR 3 HB THR 3 10.586 3.241 4.706 22 HG1 THR 3 HG1 THR 3 11.938 2.148 6.127 23 1HG2 THR 3 HG21 THR 3 9.645 2.249 6.831 24 2HG2 THR 3 HG22 THR 3 9.107 0.871 5.871 25 3HG2 THR 3 HG23 THR 3 8.461 2.479 5.544 26 H PHE 4 HN PHE 4 8.325 0.537 2.003 27 HA PHE 4 HA PHE 4 7.277 3.054 0.944 28 1HB PHE 4 HB2 PHE 4 6.408 0.149 0.817 29 2HB PHE 4 HB1 PHE 4 5.620 1.439 -0.089 30 HD1 PHE 4 HD1 PHE 4 7.067 2.856 -1.673 31 HD2 PHE 4 HD2 PHE 4 8.365 -0.880 0.003 32 HE1 PHE 4 HE1 PHE 4 8.793 2.659 -3.444 33 HE2 PHE 4 HE2 PHE 4 10.090 -1.075 -1.767 34 HZ PHE 4 HZ PHE 4 10.304 0.695 -3.491 35 H LYS 5 HN LYS 5 4.830 3.470 1.142 36 HA LYS 5 HA LYS 5 3.731 2.642 3.798 37 1HB LYS 5 HB2 LYS 5 4.563 5.319 2.815 38 2HB LYS 5 HB1 LYS 5 3.027 5.264 3.681 39 1HG LYS 5 HG2 LYS 5 4.095 4.191 5.593 40 2HG LYS 5 HG1 LYS 5 5.627 4.102 4.723 41 1HD LYS 5 HD2 LYS 5 5.237 6.724 4.481 42 2HD LYS 5 HD1 LYS 5 4.272 6.475 5.936 43 1HE LYS 5 HE2 LYS 5 6.352 5.150 6.808 44 2HE LYS 5 HE1 LYS 5 7.227 6.034 5.542 45 1HZ LYS 5 HZ1 LYS 5 5.435 7.296 7.548 46 2HZ LYS 5 HZ2 LYS 5 6.380 8.099 6.387 47 3HZ LYS 5 HZ3 LYS 5 7.126 7.264 7.665 48 H LEU 6 HN LEU 6 1.818 1.671 3.245 49 HA LEU 6 HA LEU 6 0.281 2.623 0.891 50 1HB LEU 6 HB2 LEU 6 0.694 0.229 1.160 51 2HB LEU 6 HB1 LEU 6 0.024 0.265 2.790 52 HG LEU 6 HG LEU 6 -2.166 1.038 1.771 53 1HD1 LEU 6 HD11 LEU 6 -2.357 0.399 -0.712 54 2HD1 LEU 6 HD12 LEU 6 -0.593 0.457 -0.739 55 3HD1 LEU 6 HD13 LEU 6 -1.519 1.903 -0.338 56 1HD2 LEU 6 HD21 LEU 6 -2.431 -1.347 0.560 57 2HD2 LEU 6 HD22 LEU 6 -2.329 -1.192 2.315 58 3HD2 LEU 6 HD23 LEU 6 -0.896 -1.630 1.382 59 H ILE 7 HN ILE 7 -1.336 4.108 1.207 60 HA ILE 7 HA ILE 7 -2.248 4.841 3.872 61 HB ILE 7 HB ILE 7 -2.010 6.172 1.583 62 1HG1 ILE 7 HG12 ILE 7 -3.842 7.738 2.427 63 2HG1 ILE 7 HG11 ILE 7 -4.161 6.529 3.671 64 1HG2 ILE 7 HG21 ILE 7 -3.910 4.554 0.649 65 2HG2 ILE 7 HG22 ILE 7 -3.814 6.242 0.149 66 3HG2 ILE 7 HG23 ILE 7 -4.963 5.756 1.395 67 1HD1 ILE 7 HD11 ILE 7 -2.091 6.839 4.695 68 2HD1 ILE 7 HD12 ILE 7 -2.449 8.476 4.147 69 3HD1 ILE 7 HD13 ILE 7 -1.343 7.459 3.224 70 H ILE 8 HN ILE 8 -4.694 4.742 4.392 71 HA ILE 8 HA ILE 8 -5.888 2.229 3.266 72 HB ILE 8 HB ILE 8 -5.882 3.197 6.142 73 1HG1 ILE 8 HG12 ILE 8 -4.452 0.812 4.932 74 2HG1 ILE 8 HG11 ILE 8 -3.665 2.360 5.243 75 1HG2 ILE 8 HG21 ILE 8 -6.774 0.540 4.995 76 2HG2 ILE 8 HG22 ILE 8 -7.881 1.855 5.385 77 3HG2 ILE 8 HG23 ILE 8 -6.938 1.089 6.662 78 1HD1 ILE 8 HD11 ILE 8 -4.673 2.053 7.658 79 2HD1 ILE 8 HD12 ILE 8 -3.189 1.210 7.213 80 3HD1 ILE 8 HD13 ILE 8 -4.729 0.350 7.202 81 H ASN 9 HN ASN 9 -6.985 4.010 1.897 82 HA ASN 9 HA ASN 9 -9.118 5.485 3.353 83 1HB ASN 9 HB2 ASN 9 -7.684 5.624 0.770 84 2HB ASN 9 HB1 ASN 9 -9.399 6.012 0.666 85 1HD2 ASN 9 HD21 ASN 9 -7.732 8.121 0.158 86 2HD2 ASN 9 HD22 ASN 9 -7.675 9.194 1.472 87 H GLY 10 HN GLY 10 -9.488 2.780 3.555 88 1HA GLY 10 HA2 GLY 10 -11.603 2.158 1.534 89 2HA GLY 10 HA1 GLY 10 -10.647 0.925 2.364 90 H LYS 11 HN LYS 11 -13.575 1.253 2.342 91 HA LYS 11 HA LYS 11 -14.461 2.315 4.881 92 1HB LYS 11 HB2 LYS 11 -16.541 1.084 4.282 93 2HB LYS 11 HB1 LYS 11 -15.917 2.018 2.923 94 1HG LYS 11 HG2 LYS 11 -15.110 0.099 1.816 95 2HG LYS 11 HG1 LYS 11 -15.145 -0.876 3.285 96 1HD LYS 11 HD2 LYS 11 -17.755 -0.233 3.143 97 2HD LYS 11 HD1 LYS 11 -17.359 -0.169 1.426 98 1HE LYS 11 HE2 LYS 11 -17.440 -2.431 1.337 99 2HE LYS 11 HE1 LYS 11 -16.128 -2.523 2.528 100 1HZ LYS 11 HZ1 LYS 11 -18.262 -3.546 3.277 101 2HZ LYS 11 HZ2 LYS 11 -18.964 -1.999 3.239 102 3HZ LYS 11 HZ3 LYS 11 -17.679 -2.326 4.302 103 H THR 12 HN THR 12 -12.684 -0.522 4.115 104 HA THR 12 HA THR 12 -13.771 -2.129 6.342 105 HB THR 12 HB THR 12 -11.374 -2.654 4.568 106 HG1 THR 12 HG1 THR 12 -12.736 -3.368 3.043 107 1HG2 THR 12 HG21 THR 12 -12.080 -4.070 6.664 108 2HG2 THR 12 HG22 THR 12 -11.643 -4.891 5.166 109 3HG2 THR 12 HG23 THR 12 -13.341 -4.677 5.591 110 H LEU 13 HN LEU 13 -10.907 -0.172 5.565 111 HA LEU 13 HA LEU 13 -10.100 -0.357 8.439 112 1HB LEU 13 HB2 LEU 13 -8.546 -1.131 5.980 113 2HB LEU 13 HB1 LEU 13 -7.697 -0.588 7.428 114 HG LEU 13 HG LEU 13 -9.740 -2.826 7.394 115 1HD1 LEU 13 HD11 LEU 13 -6.806 -3.249 7.834 116 2HD1 LEU 13 HD12 LEU 13 -7.397 -3.084 6.180 117 3HD1 LEU 13 HD13 LEU 13 -8.017 -4.372 7.214 118 1HD2 LEU 13 HD21 LEU 13 -8.285 -3.207 9.618 119 2HD2 LEU 13 HD22 LEU 13 -9.703 -2.158 9.603 120 3HD2 LEU 13 HD23 LEU 13 -8.088 -1.460 9.473 121 H LYS 14 HN LYS 14 -8.241 1.278 8.841 122 HA LYS 14 HA LYS 14 -8.158 3.592 7.010 123 1HB LYS 14 HB2 LYS 14 -9.799 3.389 9.476 124 2HB LYS 14 HB1 LYS 14 -8.886 4.886 9.288 125 1HG LYS 14 HG2 LYS 14 -9.833 4.881 6.858 126 2HG LYS 14 HG1 LYS 14 -11.022 3.747 7.499 127 1HD LYS 14 HD2 LYS 14 -11.218 5.569 9.423 128 2HD LYS 14 HD1 LYS 14 -10.614 6.638 8.156 129 1HE LYS 14 HE2 LYS 14 -12.853 6.788 7.628 130 2HE LYS 14 HE1 LYS 14 -12.527 5.269 6.770 131 1HZ LYS 14 HZ1 LYS 14 -14.365 4.967 8.295 132 2HZ LYS 14 HZ2 LYS 14 -13.425 5.532 9.593 133 3HZ LYS 14 HZ3 LYS 14 -13.030 4.067 8.828 134 H GLY 15 HN GLY 15 -6.256 4.767 7.329 135 1HA GLY 15 HA2 GLY 15 -4.641 5.594 9.144 136 2HA GLY 15 HA1 GLY 15 -4.525 3.896 9.607 137 H GLU 16 HN GLU 16 -2.474 3.310 9.007 138 HA GLU 16 HA GLU 16 -1.828 3.205 6.147 139 1HB GLU 16 HB2 GLU 16 0.220 4.600 6.414 140 2HB GLU 16 HB1 GLU 16 -1.250 5.520 6.725 141 1HG GLU 16 HG2 GLU 16 -0.902 5.521 9.058 142 2HG GLU 16 HG1 GLU 16 0.233 4.174 8.980 143 H THR 17 HN THR 17 0.300 2.065 5.816 144 HA THR 17 HA THR 17 1.199 0.495 8.200 145 HB THR 17 HB THR 17 0.439 -0.592 5.468 146 HG1 THR 17 HG1 THR 17 -1.430 -0.223 6.471 147 1HG2 THR 17 HG21 THR 17 1.551 -1.831 7.979 148 2HG2 THR 17 HG22 THR 17 2.112 -2.018 6.317 149 3HG2 THR 17 HG23 THR 17 0.610 -2.786 6.833 150 H THR 18 HN THR 18 3.315 -0.606 7.760 151 HA THR 18 HA THR 18 4.903 0.662 5.560 152 HB THR 18 HB THR 18 6.713 0.934 7.329 153 HG1 THR 18 HG1 THR 18 6.197 -0.181 9.046 154 1HG2 THR 18 HG21 THR 18 5.799 2.997 8.172 155 2HG2 THR 18 HG22 THR 18 4.148 2.424 7.933 156 3HG2 THR 18 HG23 THR 18 5.171 2.773 6.540 157 H THR 19 HN THR 19 6.911 -0.566 5.095 158 HA THR 19 HA THR 19 7.401 -3.165 6.304 159 HB THR 19 HB THR 19 5.321 -3.633 5.073 160 HG1 THR 19 HG1 THR 19 6.252 -5.451 4.685 161 1HG2 THR 19 HG21 THR 19 6.788 -2.919 2.531 162 2HG2 THR 19 HG22 THR 19 5.772 -1.754 3.380 163 3HG2 THR 19 HG23 THR 19 5.067 -3.240 2.743 164 H GLU 20 HN GLU 20 9.379 -4.053 5.536 165 HA GLU 20 HA GLU 20 11.118 -2.194 4.078 166 1HB GLU 20 HB2 GLU 20 11.423 -4.908 5.382 167 2HB GLU 20 HB1 GLU 20 12.762 -4.103 4.561 168 1HG GLU 20 HG2 GLU 20 12.623 -2.205 6.057 169 2HG GLU 20 HG1 GLU 20 11.149 -2.836 6.793 170 H ALA 21 HN ALA 21 11.624 -2.345 1.897 171 HA ALA 21 HA ALA 21 11.318 -4.925 0.475 172 1HB ALA 21 HB1 ALA 21 9.727 -3.862 -1.149 173 2HB ALA 21 HB2 ALA 21 9.665 -2.445 -0.100 174 3HB ALA 21 HB3 ALA 21 9.060 -3.998 0.478 175 H VAL 22 HN VAL 22 12.683 -5.008 -1.318 176 HA VAL 22 HA VAL 22 14.811 -3.163 -1.621 177 HB VAL 22 HB VAL 22 15.215 -4.468 -3.685 178 1HG1 VAL 22 HG11 VAL 22 15.577 -6.545 -2.624 179 2HG1 VAL 22 HG12 VAL 22 14.155 -6.359 -1.598 180 3HG1 VAL 22 HG13 VAL 22 15.590 -5.376 -1.304 181 1HG2 VAL 22 HG21 VAL 22 13.206 -4.853 -4.770 182 2HG2 VAL 22 HG22 VAL 22 12.341 -5.176 -3.268 183 3HG2 VAL 22 HG23 VAL 22 13.408 -6.402 -3.951 184 H ASP 23 HN ASP 23 11.639 -3.312 -3.181 185 HA ASP 23 HA ASP 23 11.785 -0.536 -4.020 186 1HB ASP 23 HB2 ASP 23 11.763 -1.065 -6.477 187 2HB ASP 23 HB1 ASP 23 13.277 -1.493 -5.686 188 H ALA 24 HN ALA 24 9.836 -0.168 -5.678 189 HA ALA 24 HA ALA 24 7.414 -0.827 -4.409 190 1HB ALA 24 HB1 ALA 24 6.483 0.394 -6.143 191 2HB ALA 24 HB2 ALA 24 7.491 -0.384 -7.363 192 3HB ALA 24 HB3 ALA 24 8.172 0.869 -6.325 193 H ALA 25 HN ALA 25 9.282 -2.674 -6.724 194 HA ALA 25 HA ALA 25 7.297 -4.402 -7.799 195 1HB ALA 25 HB1 ALA 25 10.037 -5.376 -7.047 196 2HB ALA 25 HB2 ALA 25 9.887 -4.056 -8.207 197 3HB ALA 25 HB3 ALA 25 9.145 -5.619 -8.548 198 H THR 26 HN THR 26 9.035 -4.526 -4.708 199 HA THR 26 HA THR 26 7.685 -7.077 -3.982 200 HB THR 26 HB THR 26 9.664 -5.450 -2.375 201 HG1 THR 26 HG1 THR 26 10.217 -7.402 -4.355 202 1HG2 THR 26 HG21 THR 26 8.589 -8.229 -2.366 203 2HG2 THR 26 HG22 THR 26 9.034 -7.191 -1.012 204 3HG2 THR 26 HG23 THR 26 10.287 -8.017 -1.938 205 H ALA 27 HN ALA 27 7.612 -3.639 -3.275 206 HA ALA 27 HA ALA 27 6.228 -3.734 -0.753 207 1HB ALA 27 HB1 ALA 27 5.767 -1.525 -2.706 208 2HB ALA 27 HB2 ALA 27 7.434 -1.841 -2.227 209 3HB ALA 27 HB3 ALA 27 6.226 -1.437 -1.006 210 H GLU 28 HN GLU 28 4.933 -2.971 -4.013 211 HA GLU 28 HA GLU 28 2.173 -3.002 -3.337 212 1HB GLU 28 HB2 GLU 28 3.581 -2.384 -5.506 213 2HB GLU 28 HB1 GLU 28 3.152 -4.029 -5.980 214 1HG GLU 28 HG2 GLU 28 0.735 -3.390 -5.357 215 2HG GLU 28 HG1 GLU 28 1.305 -1.721 -5.365 216 H LYS 29 HN LYS 29 4.268 -5.692 -4.434 217 HA LYS 29 HA LYS 29 2.299 -7.717 -4.684 218 1HB LYS 29 HB2 LYS 29 5.203 -7.701 -3.844 219 2HB LYS 29 HB1 LYS 29 4.304 -9.202 -4.066 220 1HG LYS 29 HG2 LYS 29 3.705 -8.413 -6.383 221 2HG LYS 29 HG1 LYS 29 4.807 -7.057 -6.144 222 1HD LYS 29 HD2 LYS 29 6.699 -8.498 -5.956 223 2HD LYS 29 HD1 LYS 29 5.682 -9.929 -5.791 224 1HE LYS 29 HE2 LYS 29 5.004 -9.836 -8.086 225 2HE LYS 29 HE1 LYS 29 5.666 -8.201 -8.284 226 1HZ LYS 29 HZ1 LYS 29 7.262 -9.750 -9.127 227 2HZ LYS 29 HZ2 LYS 29 7.187 -10.690 -7.714 228 3HZ LYS 29 HZ3 LYS 29 7.864 -9.132 -7.668 229 H VAL 30 HN VAL 30 4.057 -6.600 -1.798 230 HA VAL 30 HA VAL 30 2.755 -8.532 -0.015 231 HB VAL 30 HB VAL 30 4.467 -6.054 0.405 232 1HG1 VAL 30 HG11 VAL 30 3.419 -8.126 2.342 233 2HG1 VAL 30 HG12 VAL 30 3.317 -6.368 2.463 234 3HG1 VAL 30 HG13 VAL 30 4.868 -7.180 2.684 235 1HG2 VAL 30 HG21 VAL 30 5.279 -8.932 0.791 236 2HG2 VAL 30 HG22 VAL 30 6.307 -7.522 0.541 237 3HG2 VAL 30 HG23 VAL 30 5.365 -8.174 -0.799 238 H PHE 31 HN PHE 31 2.589 -4.983 -0.496 239 HA PHE 31 HA PHE 31 0.499 -4.485 1.386 240 1HB PHE 31 HB2 PHE 31 1.687 -3.127 -1.007 241 2HB PHE 31 HB1 PHE 31 0.194 -2.474 -0.335 242 HD1 PHE 31 HD1 PHE 31 0.365 -2.751 2.495 243 HD2 PHE 31 HD2 PHE 31 3.530 -1.901 -0.281 244 HE1 PHE 31 HE1 PHE 31 1.658 -1.657 4.305 245 HE2 PHE 31 HE2 PHE 31 4.823 -0.810 1.531 246 HZ PHE 31 HZ PHE 31 3.888 -0.687 3.824 247 H LYS 32 HN LYS 32 0.428 -5.598 -1.964 248 HA LYS 32 HA LYS 32 -2.365 -5.138 -2.475 249 1HB LYS 32 HB2 LYS 32 -0.198 -6.940 -3.544 250 2HB LYS 32 HB1 LYS 32 -1.857 -7.160 -4.095 251 1HG LYS 32 HG2 LYS 32 -0.835 -4.368 -4.076 252 2HG LYS 32 HG1 LYS 32 -0.151 -5.447 -5.292 253 1HD LYS 32 HD2 LYS 32 -2.563 -6.100 -5.855 254 2HD LYS 32 HD1 LYS 32 -3.054 -4.711 -4.883 255 1HE LYS 32 HE2 LYS 32 -1.597 -3.252 -6.318 256 2HE LYS 32 HE1 LYS 32 -1.288 -4.659 -7.355 257 1HZ LYS 32 HZ1 LYS 32 -3.637 -4.922 -7.706 258 2HZ LYS 32 HZ2 LYS 32 -3.206 -3.329 -8.112 259 3HZ LYS 32 HZ3 LYS 32 -3.991 -3.651 -6.640 260 H GLN 33 HN GLN 33 -0.548 -7.920 -1.187 261 HA GLN 33 HA GLN 33 -2.761 -9.700 -0.830 262 1HB GLN 33 HB2 GLN 33 -0.354 -10.317 -0.780 263 2HB GLN 33 HB1 GLN 33 -0.167 -9.414 0.724 264 1HG GLN 33 HG2 GLN 33 -0.467 -11.659 1.423 265 2HG GLN 33 HG1 GLN 33 -2.052 -10.917 1.645 266 1HE2 GLN 33 HE21 GLN 33 -3.694 -12.240 0.875 267 2HE2 GLN 33 HE22 GLN 33 -3.572 -13.274 -0.466 268 H TYR 34 HN TYR 34 -1.490 -7.069 1.062 269 HA TYR 34 HA TYR 34 -2.966 -7.588 3.504 270 1HB TYR 34 HB2 TYR 34 -1.032 -6.246 3.689 271 2HB TYR 34 HB1 TYR 34 -1.421 -5.315 2.249 272 HD1 TYR 34 HD1 TYR 34 -2.232 -5.834 5.824 273 HD2 TYR 34 HD2 TYR 34 -2.832 -3.371 2.360 274 HE1 TYR 34 HE1 TYR 34 -3.277 -4.087 7.247 275 HE2 TYR 34 HE2 TYR 34 -3.874 -1.624 3.774 276 HH TYR 34 HH TYR 34 -5.175 -1.905 6.377 277 H ALA 35 HN ALA 35 -3.447 -5.308 0.781 278 HA ALA 35 HA ALA 35 -6.023 -4.355 1.691 279 1HB ALA 35 HB1 ALA 35 -4.281 -4.193 -0.725 280 2HB ALA 35 HB2 ALA 35 -5.031 -2.892 0.205 281 3HB ALA 35 HB3 ALA 35 -5.989 -3.814 -0.955 282 H ASN 36 HN ASN 36 -5.020 -6.806 -0.703 283 HA ASN 36 HA ASN 36 -7.566 -7.502 -1.710 284 1HB ASN 36 HB2 ASN 36 -5.339 -8.182 -2.602 285 2HB ASN 36 HB1 ASN 36 -5.151 -9.271 -1.227 286 1HD2 ASN 36 HD21 ASN 36 -6.179 -9.191 -4.429 287 2HD2 ASN 36 HD22 ASN 36 -7.181 -10.561 -4.416 288 H ASP 37 HN ASP 37 -5.838 -8.661 1.171 289 HA ASP 37 HA ASP 37 -7.755 -10.721 1.867 290 1HB ASP 37 HB2 ASP 37 -5.321 -10.484 2.572 291 2HB ASP 37 HB1 ASP 37 -5.845 -9.207 3.671 292 H ASN 38 HN ASN 38 -7.143 -7.450 3.204 293 HA ASN 38 HA ASN 38 -9.418 -7.443 4.972 294 1HB ASN 38 HB2 ASN 38 -7.771 -5.240 3.684 295 2HB ASN 38 HB1 ASN 38 -8.918 -4.975 4.998 296 1HD2 ASN 38 HD21 ASN 38 -5.750 -5.010 4.716 297 2HD2 ASN 38 HD22 ASN 38 -5.279 -5.879 6.096 298 H GLY 39 HN GLY 39 -8.907 -5.973 1.743 299 1HA GLY 39 HA2 GLY 39 -10.858 -6.310 0.149 300 2HA GLY 39 HA1 GLY 39 -11.880 -5.770 1.481 301 H ILE 40 HN ILE 40 -8.921 -4.604 -0.194 302 HA ILE 40 HA ILE 40 -10.210 -1.897 -0.290 303 HB ILE 40 HB ILE 40 -7.322 -2.669 0.249 304 1HG1 ILE 40 HG12 ILE 40 -9.407 -1.295 1.977 305 2HG1 ILE 40 HG11 ILE 40 -8.937 -2.988 2.125 306 1HG2 ILE 40 HG21 ILE 40 -7.268 -0.089 0.763 307 2HG2 ILE 40 HG22 ILE 40 -8.665 -0.028 -0.308 308 3HG2 ILE 40 HG23 ILE 40 -7.115 -0.625 -0.913 309 1HD1 ILE 40 HD11 ILE 40 -7.802 -1.219 3.678 310 2HD1 ILE 40 HD12 ILE 40 -6.845 -0.828 2.249 311 3HD1 ILE 40 HD13 ILE 40 -6.798 -2.457 2.923 312 H ASP 41 HN ASP 41 -10.835 -3.027 -2.476 313 HA ASP 41 HA ASP 41 -8.666 -3.027 -4.497 314 1HB ASP 41 HB2 ASP 41 -10.976 -4.472 -4.092 315 2HB ASP 41 HB1 ASP 41 -11.499 -3.305 -5.306 316 H GLY 42 HN GLY 42 -8.828 -0.524 -3.461 317 1HA GLY 42 HA2 GLY 42 -10.740 1.141 -4.919 318 2HA GLY 42 HA1 GLY 42 -9.482 1.706 -3.817 319 H GLU 43 HN GLU 43 -8.510 3.221 -5.094 320 HA GLU 43 HA GLU 43 -7.444 2.339 -7.711 321 1HB GLU 43 HB2 GLU 43 -7.356 4.809 -8.186 322 2HB GLU 43 HB1 GLU 43 -8.983 4.215 -7.873 323 1HG GLU 43 HG2 GLU 43 -9.214 5.599 -6.111 324 2HG GLU 43 HG1 GLU 43 -7.734 4.992 -5.377 325 H TRP 44 HN TRP 44 -5.376 1.679 -7.432 326 HA TRP 44 HA TRP 44 -3.732 2.659 -5.271 327 1HB TRP 44 HB2 TRP 44 -3.454 0.716 -7.537 328 2HB TRP 44 HB1 TRP 44 -2.061 1.128 -6.529 329 HD1 TRP 44 HD1 TRP 44 -5.708 -0.074 -6.108 330 HE1 TRP 44 HE1 TRP 44 -5.820 -1.551 -3.993 331 HE3 TRP 44 HE3 TRP 44 -0.889 0.356 -4.471 332 HZ2 TRP 44 HZ2 TRP 44 -4.096 -2.412 -1.885 333 HZ3 TRP 44 HZ3 TRP 44 -0.151 -0.804 -2.409 334 HH2 TRP 44 HH2 TRP 44 -1.748 -2.192 -1.115 335 H THR 45 HN THR 45 -1.961 3.939 -5.363 336 HA THR 45 HA THR 45 -0.871 4.958 -7.892 337 HB THR 45 HB THR 45 -1.325 7.350 -6.946 338 HG1 THR 45 HG1 THR 45 -2.945 7.504 -5.522 339 1HG2 THR 45 HG21 THR 45 -2.406 6.092 -8.955 340 2HG2 THR 45 HG22 THR 45 -3.211 7.530 -8.327 341 3HG2 THR 45 HG23 THR 45 -3.801 5.927 -7.888 342 H TYR 46 HN TYR 46 1.284 5.282 -7.533 343 HA TYR 46 HA TYR 46 2.228 5.274 -4.698 344 1HB TYR 46 HB2 TYR 46 3.025 3.397 -5.904 345 2HB TYR 46 HB1 TYR 46 3.274 4.330 -7.373 346 HD1 TYR 46 HD1 TYR 46 5.247 5.767 -7.637 347 HD2 TYR 46 HD2 TYR 46 4.701 3.366 -4.118 348 HE1 TYR 46 HE1 TYR 46 7.634 6.078 -7.051 349 HE2 TYR 46 HE2 TYR 46 7.078 3.674 -3.535 350 HH TYR 46 HH TYR 46 9.081 5.976 -5.132 351 H ASP 47 HN ASP 47 3.720 6.866 -4.023 352 HA ASP 47 HA ASP 47 4.133 9.171 -5.901 353 1HB ASP 47 HB2 ASP 47 2.572 9.403 -3.893 354 2HB ASP 47 HB1 ASP 47 3.999 9.212 -2.874 355 H ASP 48 HN ASP 48 6.253 9.192 -6.528 356 HA ASP 48 HA ASP 48 8.380 7.843 -5.120 357 1HB ASP 48 HB2 ASP 48 9.767 8.966 -6.850 358 2HB ASP 48 HB1 ASP 48 8.319 8.242 -7.548 359 H ALA 49 HN ALA 49 7.040 11.072 -4.913 360 HA ALA 49 HA ALA 49 9.154 12.597 -3.902 361 1HB ALA 49 HB1 ALA 49 7.401 13.973 -2.956 362 2HB ALA 49 HB2 ALA 49 6.292 12.603 -2.906 363 3HB ALA 49 HB3 ALA 49 6.785 13.282 -4.457 364 H THR 50 HN THR 50 7.116 10.242 -2.190 365 HA THR 50 HA THR 50 9.114 10.168 0.015 366 HB THR 50 HB THR 50 7.266 10.442 1.663 367 HG1 THR 50 HG1 THR 50 5.534 9.778 0.442 368 1HG2 THR 50 HG21 THR 50 8.624 12.388 0.758 369 2HG2 THR 50 HG22 THR 50 7.048 12.817 1.423 370 3HG2 THR 50 HG23 THR 50 7.272 12.723 -0.324 371 H LYS 51 HN LYS 51 7.774 8.362 -2.222 372 HA LYS 51 HA LYS 51 7.105 6.105 -2.427 373 1HB LYS 51 HB2 LYS 51 9.199 6.441 -0.442 374 2HB LYS 51 HB1 LYS 51 8.202 5.044 -0.042 375 1HG LYS 51 HG2 LYS 51 9.503 3.938 -1.536 376 2HG LYS 51 HG1 LYS 51 8.515 4.739 -2.756 377 1HD LYS 51 HD2 LYS 51 10.128 6.590 -2.872 378 2HD LYS 51 HD1 LYS 51 11.102 5.834 -1.611 379 1HE LYS 51 HE2 LYS 51 10.806 3.789 -3.480 380 2HE LYS 51 HE1 LYS 51 11.023 5.240 -4.478 381 1HZ LYS 51 HZ1 LYS 51 12.747 4.346 -2.231 382 2HZ LYS 51 HZ2 LYS 51 12.885 5.861 -2.987 383 3HZ LYS 51 HZ3 LYS 51 13.176 4.438 -3.869 384 H THR 52 HN THR 52 4.805 6.321 -2.104 385 HA THR 52 HA THR 52 3.839 5.134 0.423 386 HB THR 52 HB THR 52 3.016 7.910 -0.484 387 HG1 THR 52 HG1 THR 52 4.532 7.091 1.766 388 1HG2 THR 52 HG21 THR 52 1.305 6.453 0.718 389 2HG2 THR 52 HG22 THR 52 1.681 7.990 1.498 390 3HG2 THR 52 HG23 THR 52 2.385 6.494 2.112 391 H PHE 53 HN PHE 53 2.697 3.495 -0.616 392 HA PHE 53 HA PHE 53 1.236 3.774 -3.085 393 1HB PHE 53 HB2 PHE 53 1.150 1.851 -0.741 394 2HB PHE 53 HB1 PHE 53 0.154 1.624 -2.179 395 HD1 PHE 53 HD1 PHE 53 1.196 1.205 -4.383 396 HD2 PHE 53 HD2 PHE 53 3.541 1.502 -0.797 397 HE1 PHE 53 HE1 PHE 53 3.120 0.167 -5.555 398 HE2 PHE 53 HE2 PHE 53 5.465 0.465 -1.967 399 HZ PHE 53 HZ PHE 53 5.254 -0.204 -4.348 400 H THR 54 HN THR 54 -0.882 4.510 -3.416 401 HA THR 54 HA THR 54 -2.451 5.196 -0.939 402 HB THR 54 HB THR 54 -2.209 6.733 -3.539 403 HG1 THR 54 HG1 THR 54 -1.045 8.182 -2.122 404 1HG2 THR 54 HG21 THR 54 -4.307 6.850 -1.876 405 2HG2 THR 54 HG22 THR 54 -3.665 8.288 -2.670 406 3HG2 THR 54 HG23 THR 54 -3.219 7.929 -1.002 407 H VAL 55 HN VAL 55 -4.017 3.503 -1.036 408 HA VAL 55 HA VAL 55 -5.594 3.284 -3.531 409 HB VAL 55 HB VAL 55 -4.597 1.185 -2.573 410 1HG1 VAL 55 HG11 VAL 55 -6.568 1.598 -0.337 411 2HG1 VAL 55 HG12 VAL 55 -4.841 1.926 -0.173 412 3HG1 VAL 55 HG13 VAL 55 -5.399 0.280 -0.499 413 1HG2 VAL 55 HG21 VAL 55 -6.577 -0.150 -2.811 414 2HG2 VAL 55 HG22 VAL 55 -6.735 1.224 -3.905 415 3HG2 VAL 55 HG23 VAL 55 -7.607 1.211 -2.372 416 H THR 56 HN THR 56 -8.005 3.008 -3.118 417 HA THR 56 HA THR 56 -9.104 4.143 -0.645 418 HB THR 56 HB THR 56 -9.146 5.585 -3.313 419 HG1 THR 56 HG1 THR 56 -7.889 7.076 -2.266 420 1HG2 THR 56 HG21 THR 56 -11.157 6.322 -2.515 421 2HG2 THR 56 HG22 THR 56 -10.146 7.361 -1.511 422 3HG2 THR 56 HG23 THR 56 -10.783 5.852 -0.857 423 H GLU 57 HN GLU 57 -10.766 2.669 -0.412 424 HA GLU 57 HA GLU 57 -12.115 1.432 -2.691 425 1HB GLU 57 HB2 GLU 57 -11.583 0.581 -0.260 426 2HB GLU 57 HB1 GLU 57 -13.089 1.401 0.156 427 1HG GLU 57 HG2 GLU 57 -12.942 -0.530 -2.159 428 2HG GLU 57 HG1 GLU 57 -13.245 -1.090 -0.514 Start of MODEL 25 1 1H MET 1 HT1 MET 1 17.457 0.157 3.243 2 2H MET 1 HT2 MET 1 17.808 -0.530 1.729 3 3H MET 1 HT3 MET 1 18.100 -1.410 3.153 4 HA MET 1 HA MET 1 16.052 -2.114 1.934 5 1HB MET 1 HB2 MET 1 14.786 -2.195 4.079 6 2HB MET 1 HB1 MET 1 16.496 -2.556 4.313 7 1HG MET 1 HG2 MET 1 16.925 -0.307 5.111 8 2HG MET 1 HG1 MET 1 15.281 0.193 4.713 9 1HE MET 1 HE1 MET 1 17.378 -0.958 7.905 10 2HE MET 1 HE2 MET 1 16.109 0.072 8.563 11 3HE MET 1 HE3 MET 1 16.940 0.546 7.083 12 H THR 2 HN THR 2 13.909 -1.528 1.317 13 HA THR 2 HA THR 2 13.387 1.424 1.251 14 HB THR 2 HB THR 2 12.435 -0.820 -0.560 15 HG1 THR 2 HG1 THR 2 14.284 -0.574 -1.483 16 1HG2 THR 2 HG21 THR 2 12.199 2.194 -0.702 17 2HG2 THR 2 HG22 THR 2 10.884 1.022 -0.617 18 3HG2 THR 2 HG23 THR 2 11.880 1.126 -2.070 19 H THR 3 HN THR 3 11.891 1.914 2.818 20 HA THR 3 HA THR 3 9.812 -0.031 3.546 21 HB THR 3 HB THR 3 10.551 2.666 4.708 22 HG1 THR 3 HG1 THR 3 11.695 1.401 6.214 23 1HG2 THR 3 HG21 THR 3 9.151 0.391 6.105 24 2HG2 THR 3 HG22 THR 3 8.245 1.592 5.184 25 3HG2 THR 3 HG23 THR 3 9.218 2.091 6.568 26 H PHE 4 HN PHE 4 8.331 0.143 1.775 27 HA PHE 4 HA PHE 4 7.404 2.689 0.733 28 1HB PHE 4 HB2 PHE 4 6.344 -0.151 0.617 29 2HB PHE 4 HB1 PHE 4 5.693 1.177 -0.340 30 HD1 PHE 4 HD1 PHE 4 7.185 2.363 -1.989 31 HD2 PHE 4 HD2 PHE 4 8.370 -1.242 0.022 32 HE1 PHE 4 HE1 PHE 4 8.972 2.010 -3.673 33 HE2 PHE 4 HE2 PHE 4 10.156 -1.596 -1.660 34 HZ PHE 4 HZ PHE 4 10.456 0.030 -3.508 35 H LYS 5 HN LYS 5 5.021 3.305 0.884 36 HA LYS 5 HA LYS 5 3.856 2.648 3.569 37 1HB LYS 5 HB2 LYS 5 4.584 5.254 2.280 38 2HB LYS 5 HB1 LYS 5 3.174 5.212 3.339 39 1HG LYS 5 HG2 LYS 5 4.448 4.550 5.212 40 2HG LYS 5 HG1 LYS 5 5.803 4.024 4.213 41 1HD LYS 5 HD2 LYS 5 4.965 6.899 4.101 42 2HD LYS 5 HD1 LYS 5 5.905 6.342 5.486 43 1HE LYS 5 HE2 LYS 5 7.798 5.958 4.219 44 2HE LYS 5 HE1 LYS 5 6.864 5.537 2.769 45 1HZ LYS 5 HZ1 LYS 5 6.155 7.863 2.623 46 2HZ LYS 5 HZ2 LYS 5 7.844 7.718 2.502 47 3HZ LYS 5 HZ3 LYS 5 7.135 8.250 3.952 48 H LEU 6 HN LEU 6 1.906 1.690 3.145 49 HA LEU 6 HA LEU 6 0.410 2.344 0.668 50 1HB LEU 6 HB2 LEU 6 0.971 0.039 1.924 51 2HB LEU 6 HB1 LEU 6 -0.513 0.430 2.772 52 HG LEU 6 HG LEU 6 -0.100 -0.438 -0.045 53 1HD1 LEU 6 HD11 LEU 6 -2.642 -1.076 0.638 54 2HD1 LEU 6 HD12 LEU 6 -1.935 -0.899 2.243 55 3HD1 LEU 6 HD13 LEU 6 -1.245 -2.048 1.097 56 1HD2 LEU 6 HD21 LEU 6 -1.002 1.666 -0.691 57 2HD2 LEU 6 HD22 LEU 6 -2.087 1.726 0.698 58 3HD2 LEU 6 HD23 LEU 6 -2.406 0.602 -0.624 59 H ILE 7 HN ILE 7 -0.931 4.147 0.883 60 HA ILE 7 HA ILE 7 -1.946 5.117 3.393 61 HB ILE 7 HB ILE 7 -1.654 6.143 0.932 62 1HG1 ILE 7 HG12 ILE 7 -3.290 7.946 1.628 63 2HG1 ILE 7 HG11 ILE 7 -3.738 6.911 2.984 64 1HG2 ILE 7 HG21 ILE 7 -3.531 6.210 -0.426 65 2HG2 ILE 7 HG22 ILE 7 -4.638 5.880 0.904 66 3HG2 ILE 7 HG23 ILE 7 -3.667 4.576 0.221 67 1HD1 ILE 7 HD11 ILE 7 -1.804 7.334 4.106 68 2HD1 ILE 7 HD12 ILE 7 -1.707 8.747 3.056 69 3HD1 ILE 7 HD13 ILE 7 -0.827 7.277 2.638 70 H ILE 8 HN ILE 8 -4.472 5.225 3.763 71 HA ILE 8 HA ILE 8 -5.706 2.617 2.953 72 HB ILE 8 HB ILE 8 -5.690 3.890 5.709 73 1HG1 ILE 8 HG12 ILE 8 -4.329 1.360 4.726 74 2HG1 ILE 8 HG11 ILE 8 -3.500 2.896 4.980 75 1HG2 ILE 8 HG21 ILE 8 -7.742 2.572 5.103 76 2HG2 ILE 8 HG22 ILE 8 -6.821 1.873 6.433 77 3HG2 ILE 8 HG23 ILE 8 -6.702 1.176 4.818 78 1HD1 ILE 8 HD11 ILE 8 -3.618 1.037 6.900 79 2HD1 ILE 8 HD12 ILE 8 -5.155 1.838 7.229 80 3HD1 ILE 8 HD13 ILE 8 -3.652 2.760 7.277 81 H ASN 9 HN ASN 9 -6.755 4.220 1.382 82 HA ASN 9 HA ASN 9 -8.851 5.928 2.630 83 1HB ASN 9 HB2 ASN 9 -7.261 5.877 0.196 84 2HB ASN 9 HB1 ASN 9 -8.974 5.988 -0.202 85 1HD2 ASN 9 HD21 ASN 9 -6.318 7.894 0.483 86 2HD2 ASN 9 HD22 ASN 9 -7.115 9.275 1.065 87 H GLY 10 HN GLY 10 -9.259 3.250 3.110 88 1HA GLY 10 HA2 GLY 10 -11.359 2.436 1.145 89 2HA GLY 10 HA1 GLY 10 -10.453 1.304 2.152 90 H LYS 11 HN LYS 11 -13.317 1.507 2.044 91 HA LYS 11 HA LYS 11 -14.298 2.921 4.392 92 1HB LYS 11 HB2 LYS 11 -15.317 0.896 2.422 93 2HB LYS 11 HB1 LYS 11 -16.261 1.261 3.865 94 1HG LYS 11 HG2 LYS 11 -15.218 3.600 2.358 95 2HG LYS 11 HG1 LYS 11 -16.497 2.673 1.573 96 1HD LYS 11 HD2 LYS 11 -17.849 2.857 3.674 97 2HD LYS 11 HD1 LYS 11 -16.601 3.913 4.337 98 1HE LYS 11 HE2 LYS 11 -16.976 5.248 2.070 99 2HE LYS 11 HE1 LYS 11 -18.565 4.459 2.138 100 1HZ LYS 11 HZ1 LYS 11 -18.748 5.191 4.463 101 2HZ LYS 11 HZ2 LYS 11 -18.639 6.504 3.390 102 3HZ LYS 11 HZ3 LYS 11 -17.287 6.039 4.308 103 H THR 12 HN THR 12 -12.431 0.087 4.047 104 HA THR 12 HA THR 12 -13.620 -1.310 6.370 105 HB THR 12 HB THR 12 -11.158 -1.969 4.731 106 HG1 THR 12 HG1 THR 12 -13.846 -2.744 4.275 107 1HG2 THR 12 HG21 THR 12 -13.074 -3.927 5.954 108 2HG2 THR 12 HG22 THR 12 -11.860 -3.152 6.971 109 3HG2 THR 12 HG23 THR 12 -11.360 -4.126 5.588 110 H LEU 13 HN LEU 13 -10.661 0.465 5.460 111 HA LEU 13 HA LEU 13 -10.011 0.690 8.378 112 1HB LEU 13 HB2 LEU 13 -8.368 -0.411 6.111 113 2HB LEU 13 HB1 LEU 13 -7.559 0.360 7.477 114 HG LEU 13 HG LEU 13 -9.682 -1.664 8.057 115 1HD1 LEU 13 HD11 LEU 13 -6.831 -2.372 7.303 116 2HD1 LEU 13 HD12 LEU 13 -8.245 -2.695 6.300 117 3HD1 LEU 13 HD13 LEU 13 -8.071 -3.493 7.864 118 1HD2 LEU 13 HD21 LEU 13 -7.200 -0.552 9.328 119 2HD2 LEU 13 HD22 LEU 13 -7.765 -2.151 9.811 120 3HD2 LEU 13 HD23 LEU 13 -8.813 -0.747 10.015 121 H LYS 14 HN LYS 14 -8.091 2.351 8.582 122 HA LYS 14 HA LYS 14 -7.986 4.411 6.480 123 1HB LYS 14 HB2 LYS 14 -10.076 4.463 8.273 124 2HB LYS 14 HB1 LYS 14 -8.895 5.503 9.069 125 1HG LYS 14 HG2 LYS 14 -8.893 7.059 7.337 126 2HG LYS 14 HG1 LYS 14 -9.425 5.878 6.140 127 1HD LYS 14 HD2 LYS 14 -11.605 5.782 7.595 128 2HD LYS 14 HD1 LYS 14 -11.053 7.346 8.195 129 1HE LYS 14 HE2 LYS 14 -11.512 8.401 6.217 130 2HE LYS 14 HE1 LYS 14 -10.947 7.026 5.246 131 1HZ LYS 14 HZ1 LYS 14 -12.925 5.815 5.784 132 2HZ LYS 14 HZ2 LYS 14 -13.389 7.329 5.168 133 3HZ LYS 14 HZ3 LYS 14 -13.454 7.032 6.840 134 H GLY 15 HN GLY 15 -6.078 5.588 6.673 135 1HA GLY 15 HA2 GLY 15 -4.533 6.688 8.408 136 2HA GLY 15 HA1 GLY 15 -4.433 5.075 9.116 137 H GLU 16 HN GLU 16 -2.332 4.483 8.695 138 HA GLU 16 HA GLU 16 -1.554 4.220 5.827 139 1HB GLU 16 HB2 GLU 16 -0.745 6.391 6.929 140 2HB GLU 16 HB1 GLU 16 0.276 5.373 7.945 141 1HG GLU 16 HG2 GLU 16 1.365 4.434 5.962 142 2HG GLU 16 HG1 GLU 16 0.309 5.381 4.912 143 H THR 17 HN THR 17 0.321 2.723 5.583 144 HA THR 17 HA THR 17 0.908 0.990 7.933 145 HB THR 17 HB THR 17 -0.028 -0.135 5.285 146 HG1 THR 17 HG1 THR 17 -1.990 0.287 5.847 147 1HG2 THR 17 HG21 THR 17 -0.700 -1.953 7.122 148 2HG2 THR 17 HG22 THR 17 0.607 -1.170 8.011 149 3HG2 THR 17 HG23 THR 17 0.923 -1.893 6.434 150 H THR 18 HN THR 18 3.061 0.463 7.907 151 HA THR 18 HA THR 18 4.575 0.834 5.345 152 HB THR 18 HB THR 18 6.484 1.261 6.902 153 HG1 THR 18 HG1 THR 18 6.255 0.883 8.952 154 1HG2 THR 18 HG21 THR 18 3.955 2.845 6.944 155 2HG2 THR 18 HG22 THR 18 5.545 3.285 6.323 156 3HG2 THR 18 HG23 THR 18 5.238 3.315 8.059 157 H THR 19 HN THR 19 6.678 -0.578 5.401 158 HA THR 19 HA THR 19 6.553 -3.122 6.828 159 HB THR 19 HB THR 19 4.767 -3.414 5.161 160 HG1 THR 19 HG1 THR 19 5.461 -5.341 4.590 161 1HG2 THR 19 HG21 THR 19 6.884 -2.978 3.043 162 2HG2 THR 19 HG22 THR 19 5.755 -1.721 3.549 163 3HG2 THR 19 HG23 THR 19 5.151 -3.200 2.801 164 H GLU 20 HN GLU 20 8.137 -4.701 5.306 165 HA GLU 20 HA GLU 20 10.560 -3.021 4.734 166 1HB GLU 20 HB2 GLU 20 10.043 -5.478 6.334 167 2HB GLU 20 HB1 GLU 20 11.559 -5.436 5.432 168 1HG GLU 20 HG2 GLU 20 12.284 -3.457 6.535 169 2HG GLU 20 HG1 GLU 20 10.672 -3.134 7.177 170 H ALA 21 HN ALA 21 10.618 -2.995 2.492 171 HA ALA 21 HA ALA 21 10.673 -5.649 1.103 172 1HB ALA 21 HB1 ALA 21 9.493 -4.160 -0.763 173 2HB ALA 21 HB2 ALA 21 8.991 -3.213 0.638 174 3HB ALA 21 HB3 ALA 21 8.545 -4.915 0.518 175 H VAL 22 HN VAL 22 12.269 -5.781 -0.482 176 HA VAL 22 HA VAL 22 14.447 -3.927 -0.493 177 HB VAL 22 HB VAL 22 14.580 -6.316 -1.109 178 1HG1 VAL 22 HG11 VAL 22 13.436 -7.269 -2.869 179 2HG1 VAL 22 HG12 VAL 22 13.414 -5.774 -3.803 180 3HG1 VAL 22 HG13 VAL 22 12.292 -5.992 -2.461 181 1HG2 VAL 22 HG21 VAL 22 15.905 -6.032 -3.238 182 2HG2 VAL 22 HG22 VAL 22 16.350 -4.902 -1.959 183 3HG2 VAL 22 HG23 VAL 22 15.339 -4.363 -3.300 184 H ASP 23 HN ASP 23 11.527 -4.151 -2.452 185 HA ASP 23 HA ASP 23 11.819 -1.420 -3.407 186 1HB ASP 23 HB2 ASP 23 12.105 -2.045 -5.795 187 2HB ASP 23 HB1 ASP 23 13.468 -2.579 -4.817 188 H ALA 24 HN ALA 24 10.060 -1.120 -5.280 189 HA ALA 24 HA ALA 24 7.506 -1.645 -4.245 190 1HB ALA 24 HB1 ALA 24 7.548 0.025 -5.836 191 2HB ALA 24 HB2 ALA 24 6.975 -1.299 -6.851 192 3HB ALA 24 HB3 ALA 24 8.681 -0.849 -6.867 193 H ALA 25 HN ALA 25 9.562 -3.738 -6.145 194 HA ALA 25 HA ALA 25 7.641 -5.492 -7.305 195 1HB ALA 25 HB1 ALA 25 9.522 -6.700 -7.851 196 2HB ALA 25 HB2 ALA 25 10.175 -6.611 -6.215 197 3HB ALA 25 HB3 ALA 25 10.336 -5.234 -7.304 198 H THR 26 HN THR 26 8.949 -5.326 -4.024 199 HA THR 26 HA THR 26 7.404 -7.766 -3.254 200 HB THR 26 HB THR 26 9.390 -6.188 -1.604 201 HG1 THR 26 HG1 THR 26 10.602 -6.680 -3.307 202 1HG2 THR 26 HG21 THR 26 9.742 -8.382 -0.539 203 2HG2 THR 26 HG22 THR 26 8.569 -9.106 -1.638 204 3HG2 THR 26 HG23 THR 26 8.046 -7.908 -0.455 205 H ALA 27 HN ALA 27 7.608 -4.293 -2.755 206 HA ALA 27 HA ALA 27 6.080 -4.028 -0.361 207 1HB ALA 27 HB1 ALA 27 6.222 -1.788 -0.878 208 2HB ALA 27 HB2 ALA 27 5.758 -2.046 -2.559 209 3HB ALA 27 HB3 ALA 27 7.407 -2.385 -2.040 210 H GLU 28 HN GLU 28 4.929 -3.632 -3.741 211 HA GLU 28 HA GLU 28 2.147 -3.480 -3.154 212 1HB GLU 28 HB2 GLU 28 3.652 -3.168 -5.333 213 2HB GLU 28 HB1 GLU 28 3.143 -4.830 -5.637 214 1HG GLU 28 HG2 GLU 28 0.765 -4.100 -5.299 215 2HG GLU 28 HG1 GLU 28 1.339 -2.436 -5.186 216 H LYS 29 HN LYS 29 4.142 -6.344 -3.979 217 HA LYS 29 HA LYS 29 2.116 -8.314 -4.035 218 1HB LYS 29 HB2 LYS 29 4.996 -8.353 -3.095 219 2HB LYS 29 HB1 LYS 29 4.037 -9.818 -3.313 220 1HG LYS 29 HG2 LYS 29 3.568 -8.985 -5.687 221 2HG LYS 29 HG1 LYS 29 4.845 -7.799 -5.414 222 1HD LYS 29 HD2 LYS 29 6.460 -9.569 -4.980 223 2HD LYS 29 HD1 LYS 29 5.197 -10.794 -5.103 224 1HE LYS 29 HE2 LYS 29 5.120 -10.676 -7.405 225 2HE LYS 29 HE1 LYS 29 5.512 -8.945 -7.429 226 1HZ LYS 29 HZ1 LYS 29 7.757 -9.496 -6.675 227 2HZ LYS 29 HZ2 LYS 29 7.411 -10.232 -8.167 228 3HZ LYS 29 HZ3 LYS 29 7.382 -11.149 -6.737 229 H VAL 30 HN VAL 30 3.884 -6.999 -1.237 230 HA VAL 30 HA VAL 30 2.486 -8.720 0.687 231 HB VAL 30 HB VAL 30 4.306 -6.299 0.936 232 1HG1 VAL 30 HG11 VAL 30 3.194 -8.215 2.995 233 2HG1 VAL 30 HG12 VAL 30 3.134 -6.451 3.004 234 3HG1 VAL 30 HG13 VAL 30 4.665 -7.284 3.278 235 1HG2 VAL 30 HG21 VAL 30 6.088 -7.773 0.990 236 2HG2 VAL 30 HG22 VAL 30 5.010 -8.658 -0.090 237 3HG2 VAL 30 HG23 VAL 30 5.107 -9.100 1.614 238 H PHE 31 HN PHE 31 2.476 -5.225 -0.111 239 HA PHE 31 HA PHE 31 0.420 -4.489 1.741 240 1HB PHE 31 HB2 PHE 31 1.702 -3.358 -0.716 241 2HB PHE 31 HB1 PHE 31 0.223 -2.594 -0.138 242 HD1 PHE 31 HD1 PHE 31 0.390 -2.775 2.762 243 HD2 PHE 31 HD2 PHE 31 3.511 -2.018 -0.091 244 HE1 PHE 31 HE1 PHE 31 1.689 -1.577 4.501 245 HE2 PHE 31 HE2 PHE 31 4.809 -0.823 1.651 246 HZ PHE 31 HZ PHE 31 3.900 -0.603 3.946 247 H LYS 32 HN LYS 32 0.286 -5.754 -1.565 248 HA LYS 32 HA LYS 32 -2.496 -5.209 -2.061 249 1HB LYS 32 HB2 LYS 32 -0.455 -7.200 -3.072 250 2HB LYS 32 HB1 LYS 32 -2.120 -7.243 -3.649 251 1HG LYS 32 HG2 LYS 32 -0.673 -4.620 -3.649 252 2HG LYS 32 HG1 LYS 32 -0.307 -5.791 -4.917 253 1HD LYS 32 HD2 LYS 32 -2.747 -5.944 -5.426 254 2HD LYS 32 HD1 LYS 32 -3.044 -4.677 -4.235 255 1HE LYS 32 HE2 LYS 32 -1.629 -3.115 -5.511 256 2HE LYS 32 HE1 LYS 32 -1.285 -4.387 -6.699 257 1HZ LYS 32 HZ1 LYS 32 -3.955 -3.285 -6.002 258 2HZ LYS 32 HZ2 LYS 32 -3.707 -4.626 -7.014 259 3HZ LYS 32 HZ3 LYS 32 -3.137 -3.093 -7.475 260 H GLN 33 HN GLN 33 -0.768 -7.998 -0.663 261 HA GLN 33 HA GLN 33 -3.055 -9.669 -0.214 262 1HB GLN 33 HB2 GLN 33 -0.590 -10.274 -0.164 263 2HB GLN 33 HB1 GLN 33 -0.505 -9.488 1.413 264 1HG GLN 33 HG2 GLN 33 -0.854 -11.830 1.828 265 2HG GLN 33 HG1 GLN 33 -2.387 -11.022 2.157 266 1HE2 GLN 33 HE21 GLN 33 -4.002 -12.430 1.433 267 2HE2 GLN 33 HE22 GLN 33 -4.007 -13.197 -0.081 268 H TYR 34 HN TYR 34 -1.572 -7.080 1.585 269 HA TYR 34 HA TYR 34 -3.018 -7.371 4.066 270 1HB TYR 34 HB2 TYR 34 -1.096 -6.046 4.188 271 2HB TYR 34 HB1 TYR 34 -1.385 -5.300 2.622 272 HD1 TYR 34 HD1 TYR 34 -2.358 -5.302 6.191 273 HD2 TYR 34 HD2 TYR 34 -2.676 -3.283 2.421 274 HE1 TYR 34 HE1 TYR 34 -3.354 -3.331 7.332 275 HE2 TYR 34 HE2 TYR 34 -3.672 -1.313 3.548 276 HH TYR 34 HH TYR 34 -5.034 -1.000 5.831 277 H ALA 35 HN ALA 35 -3.471 -5.082 1.346 278 HA ALA 35 HA ALA 35 -5.986 -4.029 2.183 279 1HB ALA 35 HB1 ALA 35 -5.087 -2.757 0.502 280 2HB ALA 35 HB2 ALA 35 -6.011 -3.836 -0.544 281 3HB ALA 35 HB3 ALA 35 -4.300 -4.148 -0.251 282 H ASN 36 HN ASN 36 -5.237 -6.699 -0.078 283 HA ASN 36 HA ASN 36 -7.867 -7.378 -0.839 284 1HB ASN 36 HB2 ASN 36 -5.610 -8.190 -1.716 285 2HB ASN 36 HB1 ASN 36 -5.594 -9.316 -0.357 286 1HD2 ASN 36 HD21 ASN 36 -7.491 -8.408 -3.261 287 2HD2 ASN 36 HD22 ASN 36 -8.241 -9.921 -3.435 288 H ASP 37 HN ASP 37 -6.021 -8.276 2.046 289 HA ASP 37 HA ASP 37 -7.822 -10.300 3.031 290 1HB ASP 37 HB2 ASP 37 -5.583 -8.602 4.044 291 2HB ASP 37 HB1 ASP 37 -6.606 -9.386 5.249 292 H ASN 38 HN ASN 38 -7.475 -6.825 3.830 293 HA ASN 38 HA ASN 38 -9.809 -6.804 5.583 294 1HB ASN 38 HB2 ASN 38 -8.097 -4.663 4.281 295 2HB ASN 38 HB1 ASN 38 -9.351 -4.320 5.474 296 1HD2 ASN 38 HD21 ASN 38 -6.083 -4.664 5.284 297 2HD2 ASN 38 HD22 ASN 38 -5.759 -5.291 6.828 298 H GLY 39 HN GLY 39 -9.121 -5.551 2.300 299 1HA GLY 39 HA2 GLY 39 -10.996 -6.008 0.637 300 2HA GLY 39 HA1 GLY 39 -12.073 -5.341 1.865 301 H ILE 40 HN ILE 40 -9.129 -4.442 0.028 302 HA ILE 40 HA ILE 40 -10.254 -1.669 -0.168 303 HB ILE 40 HB ILE 40 -7.391 -2.584 0.266 304 1HG1 ILE 40 HG12 ILE 40 -9.289 -0.984 2.015 305 2HG1 ILE 40 HG11 ILE 40 -8.900 -2.687 2.248 306 1HG2 ILE 40 HG21 ILE 40 -8.599 0.056 -0.483 307 2HG2 ILE 40 HG22 ILE 40 -7.054 -0.641 -0.979 308 3HG2 ILE 40 HG23 ILE 40 -7.236 0.054 0.633 309 1HD1 ILE 40 HD11 ILE 40 -7.582 -0.954 3.644 310 2HD1 ILE 40 HD12 ILE 40 -6.730 -0.593 2.143 311 3HD1 ILE 40 HD13 ILE 40 -6.656 -2.216 2.830 312 H ASP 41 HN ASP 41 -10.991 -3.142 -2.219 313 HA ASP 41 HA ASP 41 -8.961 -3.307 -4.345 314 1HB ASP 41 HB2 ASP 41 -11.162 -4.720 -3.794 315 2HB ASP 41 HB1 ASP 41 -11.921 -3.484 -4.798 316 H GLY 42 HN GLY 42 -8.745 -0.784 -3.668 317 1HA GLY 42 HA2 GLY 42 -10.700 0.907 -5.097 318 2HA GLY 42 HA1 GLY 42 -9.386 1.473 -4.066 319 H GLU 43 HN GLU 43 -8.390 2.857 -5.471 320 HA GLU 43 HA GLU 43 -7.400 1.746 -8.034 321 1HB GLU 43 HB2 GLU 43 -8.149 4.520 -7.097 322 2HB GLU 43 HB1 GLU 43 -7.236 4.256 -8.583 323 1HG GLU 43 HG2 GLU 43 -9.009 3.079 -9.607 324 2HG GLU 43 HG1 GLU 43 -9.826 2.800 -8.069 325 H TRP 44 HN TRP 44 -5.361 1.006 -7.544 326 HA TRP 44 HA TRP 44 -3.691 2.218 -5.545 327 1HB TRP 44 HB2 TRP 44 -3.332 0.094 -7.650 328 2HB TRP 44 HB1 TRP 44 -2.039 0.543 -6.532 329 HD1 TRP 44 HD1 TRP 44 -5.702 -0.662 -6.457 330 HE1 TRP 44 HE1 TRP 44 -6.069 -1.981 -4.270 331 HE3 TRP 44 HE3 TRP 44 -1.137 -0.015 -4.258 332 HZ2 TRP 44 HZ2 TRP 44 -4.620 -2.651 -1.905 333 HZ3 TRP 44 HZ3 TRP 44 -0.660 -1.005 -2.037 334 HH2 TRP 44 HH2 TRP 44 -2.395 -2.330 -0.861 335 H THR 45 HN THR 45 -1.922 3.490 -5.769 336 HA THR 45 HA THR 45 -0.876 4.245 -8.419 337 HB THR 45 HB THR 45 -1.214 6.712 -7.664 338 HG1 THR 45 HG1 THR 45 -2.388 6.996 -5.960 339 1HG2 THR 45 HG21 THR 45 -2.460 5.358 -9.488 340 2HG2 THR 45 HG22 THR 45 -3.220 6.835 -8.896 341 3HG2 THR 45 HG23 THR 45 -3.775 5.265 -8.317 342 H TYR 46 HN TYR 46 1.300 4.531 -8.186 343 HA TYR 46 HA TYR 46 2.410 4.540 -5.424 344 1HB TYR 46 HB2 TYR 46 3.147 2.759 -6.847 345 2HB TYR 46 HB1 TYR 46 3.399 3.846 -8.206 346 HD1 TYR 46 HD1 TYR 46 5.441 5.058 -8.474 347 HD2 TYR 46 HD2 TYR 46 4.723 2.811 -4.884 348 HE1 TYR 46 HE1 TYR 46 7.821 5.318 -7.834 349 HE2 TYR 46 HE2 TYR 46 7.098 3.070 -4.245 350 HH TYR 46 HH TYR 46 9.475 4.180 -6.426 351 H ASP 47 HN ASP 47 3.433 6.336 -4.633 352 HA ASP 47 HA ASP 47 3.794 8.689 -6.435 353 1HB ASP 47 HB2 ASP 47 3.240 8.174 -3.550 354 2HB ASP 47 HB1 ASP 47 4.166 9.625 -3.934 355 H ASP 48 HN ASP 48 5.849 8.992 -7.171 356 HA ASP 48 HA ASP 48 8.152 7.626 -6.017 357 1HB ASP 48 HB2 ASP 48 7.465 8.569 -8.461 358 2HB ASP 48 HB1 ASP 48 8.472 9.905 -7.902 359 H ALA 49 HN ALA 49 6.649 10.745 -5.547 360 HA ALA 49 HA ALA 49 8.778 12.372 -4.725 361 1HB ALA 49 HB1 ALA 49 5.876 12.094 -4.018 362 2HB ALA 49 HB2 ALA 49 6.689 13.399 -4.882 363 3HB ALA 49 HB3 ALA 49 6.862 13.258 -3.132 364 H THR 50 HN THR 50 6.982 9.941 -2.831 365 HA THR 50 HA THR 50 9.233 9.857 -0.884 366 HB THR 50 HB THR 50 7.600 10.109 0.977 367 HG1 THR 50 HG1 THR 50 5.498 10.690 0.472 368 1HG2 THR 50 HG21 THR 50 7.325 12.394 -0.986 369 2HG2 THR 50 HG22 THR 50 8.808 12.077 -0.085 370 3HG2 THR 50 HG23 THR 50 7.323 12.481 0.776 371 H LYS 51 HN LYS 51 7.706 8.055 -2.967 372 HA LYS 51 HA LYS 51 7.060 5.791 -3.129 373 1HB LYS 51 HB2 LYS 51 9.276 6.132 -1.281 374 2HB LYS 51 HB1 LYS 51 8.317 4.722 -0.832 375 1HG LYS 51 HG2 LYS 51 9.665 3.719 -2.399 376 2HG LYS 51 HG1 LYS 51 8.414 4.323 -3.486 377 1HD LYS 51 HD2 LYS 51 9.756 5.983 -4.334 378 2HD LYS 51 HD1 LYS 51 10.619 6.205 -2.811 379 1HE LYS 51 HE2 LYS 51 11.517 3.754 -3.349 380 2HE LYS 51 HE1 LYS 51 11.153 4.248 -5.015 381 1HZ LYS 51 HZ1 LYS 51 12.355 6.339 -4.566 382 2HZ LYS 51 HZ2 LYS 51 13.361 4.974 -4.462 383 3HZ LYS 51 HZ3 LYS 51 12.810 5.736 -3.047 384 H THR 52 HN THR 52 4.810 5.886 -2.685 385 HA THR 52 HA THR 52 4.001 4.757 -0.086 386 HB THR 52 HB THR 52 3.047 7.481 -1.024 387 HG1 THR 52 HG1 THR 52 4.300 8.266 0.624 388 1HG2 THR 52 HG21 THR 52 1.475 5.942 0.316 389 2HG2 THR 52 HG22 THR 52 1.753 7.561 0.957 390 3HG2 THR 52 HG23 THR 52 2.593 6.179 1.660 391 H PHE 53 HN PHE 53 2.806 3.082 -0.956 392 HA PHE 53 HA PHE 53 1.327 3.152 -3.413 393 1HB PHE 53 HB2 PHE 53 1.242 1.468 -0.898 394 2HB PHE 53 HB1 PHE 53 0.195 1.127 -2.275 395 HD1 PHE 53 HD1 PHE 53 1.070 0.228 -4.328 396 HD2 PHE 53 HD2 PHE 53 3.701 1.314 -1.116 397 HE1 PHE 53 HE1 PHE 53 2.936 -0.955 -5.458 398 HE2 PHE 53 HE2 PHE 53 5.569 0.133 -2.238 399 HZ PHE 53 HZ PHE 53 5.186 -1.002 -4.414 400 H THR 54 HN THR 54 -0.621 4.155 -3.831 401 HA THR 54 HA THR 54 -2.271 4.970 -1.453 402 HB THR 54 HB THR 54 -1.917 6.311 -4.146 403 HG1 THR 54 HG1 THR 54 -0.136 6.913 -3.229 404 1HG2 THR 54 HG21 THR 54 -4.048 6.588 -2.502 405 2HG2 THR 54 HG22 THR 54 -3.406 7.912 -3.472 406 3HG2 THR 54 HG23 THR 54 -2.953 7.763 -1.774 407 H VAL 55 HN VAL 55 -3.964 3.474 -1.411 408 HA VAL 55 HA VAL 55 -5.447 3.004 -3.932 409 HB VAL 55 HB VAL 55 -4.514 0.991 -2.756 410 1HG1 VAL 55 HG11 VAL 55 -5.353 0.303 -0.623 411 2HG1 VAL 55 HG12 VAL 55 -6.522 1.635 -0.610 412 3HG1 VAL 55 HG13 VAL 55 -4.798 1.972 -0.444 413 1HG2 VAL 55 HG21 VAL 55 -6.500 -0.334 -2.922 414 2HG2 VAL 55 HG22 VAL 55 -6.638 0.947 -4.126 415 3HG2 VAL 55 HG23 VAL 55 -7.526 1.064 -2.606 416 H THR 56 HN THR 56 -7.892 2.793 -3.526 417 HA THR 56 HA THR 56 -8.978 4.243 -1.212 418 HB THR 56 HB THR 56 -9.026 5.324 -4.043 419 HG1 THR 56 HG1 THR 56 -7.525 6.666 -3.381 420 1HG2 THR 56 HG21 THR 56 -10.981 5.660 -2.134 421 2HG2 THR 56 HG22 THR 56 -10.635 6.807 -3.428 422 3HG2 THR 56 HG23 THR 56 -9.930 7.043 -1.829 423 H GLU 57 HN GLU 57 -10.611 2.767 -0.797 424 HA GLU 57 HA GLU 57 -12.149 1.588 -3.055 425 1HB GLU 57 HB2 GLU 57 -11.086 0.531 -0.804 426 2HB GLU 57 HB1 GLU 57 -12.695 0.932 -0.202 427 1HG GLU 57 HG2 GLU 57 -12.218 -0.618 -2.759 428 2HG GLU 57 HG1 GLU 57 -12.492 -1.388 -1.196 Start of MODEL 26 1 1H MET 1 HT1 MET 1 16.073 -0.917 5.227 2 2H MET 1 HT2 MET 1 17.250 -0.533 4.064 3 3H MET 1 HT3 MET 1 17.190 -2.094 4.733 4 HA MET 1 HA MET 1 16.245 -2.016 2.466 5 1HB MET 1 HB2 MET 1 15.086 -2.950 4.987 6 2HB MET 1 HB1 MET 1 13.863 -2.774 3.730 7 1HG MET 1 HG2 MET 1 14.589 -4.910 3.243 8 2HG MET 1 HG1 MET 1 15.728 -3.992 2.259 9 1HE MET 1 HE1 MET 1 16.438 -7.252 4.346 10 2HE MET 1 HE2 MET 1 17.662 -6.834 3.149 11 3HE MET 1 HE3 MET 1 15.956 -6.605 2.772 12 H THR 2 HN THR 2 13.838 -1.655 1.585 13 HA THR 2 HA THR 2 13.287 1.256 1.882 14 HB THR 2 HB THR 2 12.316 -0.822 -0.108 15 HG1 THR 2 HG1 THR 2 14.430 -0.621 -0.482 16 1HG2 THR 2 HG21 THR 2 11.820 1.216 -1.485 17 2HG2 THR 2 HG22 THR 2 12.194 2.204 -0.072 18 3HG2 THR 2 HG23 THR 2 10.828 1.089 -0.031 19 H THR 3 HN THR 3 11.772 1.681 3.448 20 HA THR 3 HA THR 3 9.640 -0.247 4.030 21 HB THR 3 HB THR 3 10.305 2.415 5.304 22 HG1 THR 3 HG1 THR 3 11.198 -0.206 5.918 23 1HG2 THR 3 HG21 THR 3 8.512 0.116 5.962 24 2HG2 THR 3 HG22 THR 3 8.248 1.845 6.191 25 3HG2 THR 3 HG23 THR 3 9.305 0.960 7.292 26 H PHE 4 HN PHE 4 8.272 0.021 2.157 27 HA PHE 4 HA PHE 4 7.359 2.596 1.208 28 1HB PHE 4 HB2 PHE 4 6.298 -0.236 0.972 29 2HB PHE 4 HB1 PHE 4 5.657 1.124 0.052 30 HD1 PHE 4 HD1 PHE 4 8.432 -1.220 0.451 31 HD2 PHE 4 HD2 PHE 4 7.082 2.297 -1.612 32 HE1 PHE 4 HE1 PHE 4 10.248 -1.499 -1.213 33 HE2 PHE 4 HE2 PHE 4 8.898 2.018 -3.277 34 HZ PHE 4 HZ PHE 4 10.480 0.118 -3.077 35 H LYS 5 HN LYS 5 4.870 3.058 1.251 36 HA LYS 5 HA LYS 5 3.671 2.370 3.904 37 1HB LYS 5 HB2 LYS 5 4.478 5.018 2.767 38 2HB LYS 5 HB1 LYS 5 3.017 4.955 3.752 39 1HG LYS 5 HG2 LYS 5 4.172 4.293 5.667 40 2HG LYS 5 HG1 LYS 5 5.522 3.630 4.745 41 1HD LYS 5 HD2 LYS 5 6.331 5.664 5.701 42 2HD LYS 5 HD1 LYS 5 6.015 6.025 4.004 43 1HE LYS 5 HE2 LYS 5 3.689 6.437 5.789 44 2HE LYS 5 HE1 LYS 5 5.051 7.540 6.068 45 1HZ LYS 5 HZ1 LYS 5 5.149 7.846 3.614 46 2HZ LYS 5 HZ2 LYS 5 3.734 8.460 4.325 47 3HZ LYS 5 HZ3 LYS 5 3.694 6.984 3.485 48 H LEU 6 HN LEU 6 1.801 1.344 3.263 49 HA LEU 6 HA LEU 6 0.342 2.223 0.843 50 1HB LEU 6 HB2 LEU 6 0.890 -0.184 1.861 51 2HB LEU 6 HB1 LEU 6 -0.585 0.114 2.761 52 HG LEU 6 HG LEU 6 -0.211 -0.547 -0.103 53 1HD1 LEU 6 HD11 LEU 6 -2.755 -1.146 0.449 54 2HD1 LEU 6 HD12 LEU 6 -2.170 -0.993 2.106 55 3HD1 LEU 6 HD13 LEU 6 -1.421 -2.154 1.008 56 1HD2 LEU 6 HD21 LEU 6 -0.983 1.677 -0.574 57 2HD2 LEU 6 HD22 LEU 6 -2.166 1.619 0.734 58 3HD2 LEU 6 HD23 LEU 6 -2.400 0.635 -0.713 59 H ILE 7 HN ILE 7 -0.969 4.031 1.214 60 HA ILE 7 HA ILE 7 -2.068 4.731 3.771 61 HB ILE 7 HB ILE 7 -1.687 6.018 1.456 62 1HG1 ILE 7 HG12 ILE 7 -4.090 6.874 3.022 63 2HG1 ILE 7 HG11 ILE 7 -2.525 6.765 3.827 64 1HG2 ILE 7 HG21 ILE 7 -3.627 6.373 0.144 65 2HG2 ILE 7 HG22 ILE 7 -4.674 5.601 1.334 66 3HG2 ILE 7 HG23 ILE 7 -3.563 4.627 0.374 67 1HD1 ILE 7 HD11 ILE 7 -3.216 8.434 1.397 68 2HD1 ILE 7 HD12 ILE 7 -1.567 8.187 1.973 69 3HD1 ILE 7 HD13 ILE 7 -2.742 9.017 2.993 70 H ILE 8 HN ILE 8 -4.594 4.855 4.059 71 HA ILE 8 HA ILE 8 -5.847 2.353 2.986 72 HB ILE 8 HB ILE 8 -5.855 3.386 5.840 73 1HG1 ILE 8 HG12 ILE 8 -4.559 0.899 4.685 74 2HG1 ILE 8 HG11 ILE 8 -3.686 2.386 5.054 75 1HG2 ILE 8 HG21 ILE 8 -7.216 1.574 6.411 76 2HG2 ILE 8 HG22 ILE 8 -6.809 0.680 4.947 77 3HG2 ILE 8 HG23 ILE 8 -7.895 2.066 4.861 78 1HD1 ILE 8 HD11 ILE 8 -3.371 1.197 7.027 79 2HD1 ILE 8 HD12 ILE 8 -4.952 0.422 6.932 80 3HD1 ILE 8 HD13 ILE 8 -4.827 2.113 7.418 81 H ASN 9 HN ASN 9 -6.779 4.201 1.554 82 HA ASN 9 HA ASN 9 -8.900 5.778 2.918 83 1HB ASN 9 HB2 ASN 9 -7.266 5.923 0.484 84 2HB ASN 9 HB1 ASN 9 -8.965 6.275 0.171 85 1HD2 ASN 9 HD21 ASN 9 -6.338 8.007 0.545 86 2HD2 ASN 9 HD22 ASN 9 -6.867 9.253 1.569 87 H GLY 10 HN GLY 10 -9.378 3.065 3.032 88 1HA GLY 10 HA2 GLY 10 -11.385 2.544 0.883 89 2HA GLY 10 HA1 GLY 10 -10.595 1.287 1.839 90 H LYS 11 HN LYS 11 -13.409 1.513 1.594 91 HA LYS 11 HA LYS 11 -14.526 2.816 3.952 92 1HB LYS 11 HB2 LYS 11 -15.657 2.326 1.731 93 2HB LYS 11 HB1 LYS 11 -15.699 0.629 2.212 94 1HG LYS 11 HG2 LYS 11 -17.224 1.011 3.929 95 2HG LYS 11 HG1 LYS 11 -16.763 2.705 4.099 96 1HD LYS 11 HD2 LYS 11 -18.005 3.367 2.223 97 2HD LYS 11 HD1 LYS 11 -18.041 1.735 1.553 98 1HE LYS 11 HE2 LYS 11 -19.509 1.021 3.449 99 2HE LYS 11 HE1 LYS 11 -19.546 2.705 4.008 100 1HZ LYS 11 HZ1 LYS 11 -20.406 3.395 1.888 101 2HZ LYS 11 HZ2 LYS 11 -21.408 2.170 2.505 102 3HZ LYS 11 HZ3 LYS 11 -20.293 1.819 1.272 103 H THR 12 HN THR 12 -12.721 -0.056 3.533 104 HA THR 12 HA THR 12 -14.077 -1.474 5.763 105 HB THR 12 HB THR 12 -13.523 -2.663 3.674 106 HG1 THR 12 HG1 THR 12 -13.413 -4.083 5.250 107 1HG2 THR 12 HG21 THR 12 -11.105 -1.179 3.871 108 2HG2 THR 12 HG22 THR 12 -11.594 -2.287 2.592 109 3HG2 THR 12 HG23 THR 12 -10.681 -2.886 3.976 110 H LEU 13 HN LEU 13 -11.196 0.401 5.053 111 HA LEU 13 HA LEU 13 -10.388 0.157 7.912 112 1HB LEU 13 HB2 LEU 13 -8.794 -0.619 5.468 113 2HB LEU 13 HB1 LEU 13 -7.988 -0.160 6.967 114 HG LEU 13 HG LEU 13 -10.071 -2.352 6.733 115 1HD1 LEU 13 HD11 LEU 13 -7.911 -3.717 7.350 116 2HD1 LEU 13 HD12 LEU 13 -7.068 -2.339 6.642 117 3HD1 LEU 13 HD13 LEU 13 -8.207 -3.270 5.669 118 1HD2 LEU 13 HD21 LEU 13 -10.153 -1.615 8.960 119 2HD2 LEU 13 HD22 LEU 13 -8.441 -1.193 8.984 120 3HD2 LEU 13 HD23 LEU 13 -8.933 -2.886 9.036 121 H LYS 14 HN LYS 14 -8.758 1.852 8.483 122 HA LYS 14 HA LYS 14 -8.495 4.103 6.561 123 1HB LYS 14 HB2 LYS 14 -10.566 3.962 8.405 124 2HB LYS 14 HB1 LYS 14 -9.367 4.949 9.238 125 1HG LYS 14 HG2 LYS 14 -9.433 5.871 6.550 126 2HG LYS 14 HG1 LYS 14 -11.111 5.684 7.055 127 1HD LYS 14 HD2 LYS 14 -10.899 7.230 8.797 128 2HD LYS 14 HD1 LYS 14 -9.147 7.039 8.884 129 1HE LYS 14 HE2 LYS 14 -8.770 8.417 7.028 130 2HE LYS 14 HE1 LYS 14 -10.400 8.150 6.378 131 1HZ LYS 14 HZ1 LYS 14 -10.301 10.307 7.428 132 2HZ LYS 14 HZ2 LYS 14 -9.715 9.622 8.869 133 3HZ LYS 14 HZ3 LYS 14 -11.296 9.284 8.345 134 H GLY 15 HN GLY 15 -6.491 5.042 6.794 135 1HA GLY 15 HA2 GLY 15 -4.935 5.975 8.644 136 2HA GLY 15 HA1 GLY 15 -4.900 4.304 9.208 137 H GLU 16 HN GLU 16 -2.740 3.839 8.779 138 HA GLU 16 HA GLU 16 -2.015 3.609 5.898 139 1HB GLU 16 HB2 GLU 16 -0.933 5.465 7.912 140 2HB GLU 16 HB1 GLU 16 0.312 4.529 7.086 141 1HG GLU 16 HG2 GLU 16 -0.532 5.243 4.912 142 2HG GLU 16 HG1 GLU 16 -1.871 6.097 5.681 143 H THR 17 HN THR 17 0.135 2.342 5.736 144 HA THR 17 HA THR 17 0.631 0.521 8.038 145 HB THR 17 HB THR 17 -0.011 -0.478 5.251 146 HG1 THR 17 HG1 THR 17 -1.712 -0.414 7.514 147 1HG2 THR 17 HG21 THR 17 0.462 -1.718 7.947 148 2HG2 THR 17 HG22 THR 17 1.148 -2.164 6.385 149 3HG2 THR 17 HG23 THR 17 -0.532 -2.553 6.754 150 H THR 18 HN THR 18 2.670 -0.644 7.799 151 HA THR 18 HA THR 18 4.431 0.278 5.562 152 HB THR 18 HB THR 18 6.178 0.723 7.296 153 HG1 THR 18 HG1 THR 18 4.023 0.372 9.101 154 1HG2 THR 18 HG21 THR 18 4.710 2.540 6.453 155 2HG2 THR 18 HG22 THR 18 5.195 2.803 8.128 156 3HG2 THR 18 HG23 THR 18 3.576 2.206 7.762 157 H THR 19 HN THR 19 6.245 -1.164 5.186 158 HA THR 19 HA THR 19 6.399 -3.686 6.719 159 HB THR 19 HB THR 19 4.551 -4.033 5.126 160 HG1 THR 19 HG1 THR 19 5.301 -5.925 4.468 161 1HG2 THR 19 HG21 THR 19 5.601 -2.287 3.489 162 2HG2 THR 19 HG22 THR 19 4.721 -3.659 2.818 163 3HG2 THR 19 HG23 THR 19 6.484 -3.672 2.849 164 H GLU 20 HN GLU 20 8.291 -4.981 6.035 165 HA GLU 20 HA GLU 20 10.499 -3.262 5.075 166 1HB GLU 20 HB2 GLU 20 10.211 -5.984 6.354 167 2HB GLU 20 HB1 GLU 20 11.766 -5.421 5.740 168 1HG GLU 20 HG2 GLU 20 11.720 -3.495 7.206 169 2HG GLU 20 HG1 GLU 20 10.075 -3.873 7.721 170 H ALA 21 HN ALA 21 10.550 -3.140 2.841 171 HA ALA 21 HA ALA 21 10.616 -5.729 1.330 172 1HB ALA 21 HB1 ALA 21 9.204 -3.134 0.626 173 2HB ALA 21 HB2 ALA 21 8.426 -4.649 1.084 174 3HB ALA 21 HB3 ALA 21 9.312 -4.537 -0.436 175 H VAL 22 HN VAL 22 12.251 -5.819 -0.208 176 HA VAL 22 HA VAL 22 14.454 -4.015 -0.134 177 HB VAL 22 HB VAL 22 14.524 -6.363 -0.902 178 1HG1 VAL 22 HG11 VAL 22 13.304 -5.542 -3.520 179 2HG1 VAL 22 HG12 VAL 22 12.249 -5.989 -2.181 180 3HG1 VAL 22 HG13 VAL 22 13.423 -7.148 -2.802 181 1HG2 VAL 22 HG21 VAL 22 16.059 -6.054 -2.714 182 2HG2 VAL 22 HG22 VAL 22 16.194 -4.610 -1.711 183 3HG2 VAL 22 HG23 VAL 22 15.272 -4.556 -3.214 184 H ASP 23 HN ASP 23 11.588 -4.103 -2.213 185 HA ASP 23 HA ASP 23 11.871 -1.298 -2.924 186 1HB ASP 23 HB2 ASP 23 12.281 -1.731 -5.347 187 2HB ASP 23 HB1 ASP 23 13.617 -2.277 -4.338 188 H ALA 24 HN ALA 24 10.236 -0.914 -4.921 189 HA ALA 24 HA ALA 24 7.627 -1.527 -4.082 190 1HB ALA 24 HB1 ALA 24 6.998 -0.418 -6.047 191 2HB ALA 24 HB2 ALA 24 8.320 -1.124 -6.978 192 3HB ALA 24 HB3 ALA 24 8.648 0.161 -5.815 193 H ALA 25 HN ALA 25 9.843 -3.475 -5.955 194 HA ALA 25 HA ALA 25 8.070 -5.184 -7.367 195 1HB ALA 25 HB1 ALA 25 9.987 -6.502 -7.660 196 2HB ALA 25 HB2 ALA 25 10.577 -6.175 -6.030 197 3HB ALA 25 HB3 ALA 25 10.685 -4.929 -7.273 198 H THR 26 HN THR 26 8.881 -5.083 -3.949 199 HA THR 26 HA THR 26 7.281 -7.584 -3.505 200 HB THR 26 HB THR 26 9.333 -6.250 -1.714 201 HG1 THR 26 HG1 THR 26 10.721 -7.067 -3.034 202 1HG2 THR 26 HG21 THR 26 7.831 -7.718 -0.502 203 2HG2 THR 26 HG22 THR 26 9.382 -8.537 -0.685 204 3HG2 THR 26 HG23 THR 26 8.023 -8.981 -1.718 205 H ALA 27 HN ALA 27 7.593 -4.176 -2.727 206 HA ALA 27 HA ALA 27 6.005 -4.005 -0.374 207 1HB ALA 27 HB1 ALA 27 6.032 -1.705 -0.839 208 2HB ALA 27 HB2 ALA 27 5.899 -1.960 -2.579 209 3HB ALA 27 HB3 ALA 27 7.426 -2.276 -1.756 210 H GLU 28 HN GLU 28 4.921 -3.350 -3.732 211 HA GLU 28 HA GLU 28 2.126 -3.243 -3.173 212 1HB GLU 28 HB2 GLU 28 3.579 -2.633 -5.267 213 2HB GLU 28 HB1 GLU 28 3.285 -4.306 -5.745 214 1HG GLU 28 HG2 GLU 28 1.058 -3.947 -6.141 215 2HG GLU 28 HG1 GLU 28 0.910 -2.765 -4.840 216 H LYS 29 HN LYS 29 4.226 -6.002 -3.987 217 HA LYS 29 HA LYS 29 2.252 -7.990 -4.433 218 1HB LYS 29 HB2 LYS 29 4.725 -8.165 -4.778 219 2HB LYS 29 HB1 LYS 29 4.933 -8.254 -3.029 220 1HG LYS 29 HG2 LYS 29 3.341 -10.247 -3.071 221 2HG LYS 29 HG1 LYS 29 3.517 -10.232 -4.826 222 1HD LYS 29 HD2 LYS 29 6.091 -10.199 -4.283 223 2HD LYS 29 HD1 LYS 29 5.573 -10.844 -2.725 224 1HE LYS 29 HE2 LYS 29 4.498 -12.087 -5.246 225 2HE LYS 29 HE1 LYS 29 6.121 -12.525 -4.676 226 1HZ LYS 29 HZ1 LYS 29 3.591 -12.654 -3.122 227 2HZ LYS 29 HZ2 LYS 29 5.134 -12.884 -2.449 228 3HZ LYS 29 HZ3 LYS 29 4.544 -13.965 -3.620 229 H VAL 30 HN VAL 30 3.758 -6.964 -1.354 230 HA VAL 30 HA VAL 30 2.123 -8.800 0.244 231 HB VAL 30 HB VAL 30 3.938 -6.459 0.929 232 1HG1 VAL 30 HG11 VAL 30 4.035 -7.758 3.168 233 2HG1 VAL 30 HG12 VAL 30 2.548 -8.535 2.625 234 3HG1 VAL 30 HG13 VAL 30 2.597 -6.786 2.851 235 1HG2 VAL 30 HG21 VAL 30 5.627 -8.145 1.334 236 2HG2 VAL 30 HG22 VAL 30 4.969 -8.421 -0.279 237 3HG2 VAL 30 HG23 VAL 30 4.462 -9.442 1.067 238 H PHE 31 HN PHE 31 2.205 -5.282 -0.369 239 HA PHE 31 HA PHE 31 0.027 -4.599 1.372 240 1HB PHE 31 HB2 PHE 31 1.431 -3.363 -0.984 241 2HB PHE 31 HB1 PHE 31 -0.002 -2.581 -0.319 242 HD1 PHE 31 HD1 PHE 31 3.324 -2.200 -0.267 243 HD2 PHE 31 HD2 PHE 31 0.173 -2.992 2.544 244 HE1 PHE 31 HE1 PHE 31 4.698 -1.231 1.553 245 HE2 PHE 31 HE2 PHE 31 1.550 -2.022 4.362 246 HZ PHE 31 HZ PHE 31 3.814 -1.141 3.866 247 H LYS 32 HN LYS 32 0.142 -5.621 -2.032 248 HA LYS 32 HA LYS 32 -2.593 -5.037 -2.690 249 1HB LYS 32 HB2 LYS 32 -0.476 -6.956 -3.683 250 2HB LYS 32 HB1 LYS 32 -2.098 -6.976 -4.375 251 1HG LYS 32 HG2 LYS 32 -0.593 -4.382 -4.121 252 2HG LYS 32 HG1 LYS 32 -0.297 -5.455 -5.489 253 1HD LYS 32 HD2 LYS 32 -2.980 -5.454 -5.554 254 2HD LYS 32 HD1 LYS 32 -2.731 -3.872 -4.814 255 1HE LYS 32 HE2 LYS 32 -1.228 -3.229 -6.673 256 2HE LYS 32 HE1 LYS 32 -1.491 -4.815 -7.426 257 1HZ LYS 32 HZ1 LYS 32 -3.563 -2.780 -6.798 258 2HZ LYS 32 HZ2 LYS 32 -3.902 -4.354 -7.341 259 3HZ LYS 32 HZ3 LYS 32 -3.061 -3.269 -8.342 260 H GLN 33 HN GLN 33 -1.000 -7.980 -1.436 261 HA GLN 33 HA GLN 33 -3.349 -9.613 -1.255 262 1HB GLN 33 HB2 GLN 33 -0.932 -10.330 -1.145 263 2HB GLN 33 HB1 GLN 33 -0.859 -9.638 0.476 264 1HG GLN 33 HG2 GLN 33 -1.309 -11.970 0.772 265 2HG GLN 33 HG1 GLN 33 -2.836 -11.137 1.066 266 1HE2 GLN 33 HE21 GLN 33 -4.516 -12.290 0.112 267 2HE2 GLN 33 HE22 GLN 33 -4.437 -13.061 -1.398 268 H TYR 34 HN TYR 34 -1.914 -7.226 0.837 269 HA TYR 34 HA TYR 34 -3.491 -7.710 3.206 270 1HB TYR 34 HB2 TYR 34 -1.551 -6.447 3.545 271 2HB TYR 34 HB1 TYR 34 -1.747 -5.551 2.044 272 HD1 TYR 34 HD1 TYR 34 -2.927 -5.877 5.540 273 HD2 TYR 34 HD2 TYR 34 -2.964 -3.487 1.978 274 HE1 TYR 34 HE1 TYR 34 -3.947 -4.000 6.811 275 HE2 TYR 34 HE2 TYR 34 -3.983 -1.610 3.235 276 HH TYR 34 HH TYR 34 -4.096 -0.844 5.617 277 H ALA 35 HN ALA 35 -3.762 -5.183 0.678 278 HA ALA 35 HA ALA 35 -6.283 -4.127 1.478 279 1HB ALA 35 HB1 ALA 35 -4.514 -4.143 -0.907 280 2HB ALA 35 HB2 ALA 35 -5.258 -2.777 -0.070 281 3HB ALA 35 HB3 ALA 35 -6.201 -3.729 -1.218 282 H ASN 36 HN ASN 36 -5.515 -6.666 -0.924 283 HA ASN 36 HA ASN 36 -8.141 -7.214 -1.814 284 1HB ASN 36 HB2 ASN 36 -5.725 -8.038 -2.512 285 2HB ASN 36 HB1 ASN 36 -6.107 -9.387 -1.442 286 1HD2 ASN 36 HD21 ASN 36 -6.261 -8.534 -4.639 287 2HD2 ASN 36 HD22 ASN 36 -7.596 -9.465 -5.121 288 H ASP 37 HN ASP 37 -6.410 -8.287 1.070 289 HA ASP 37 HA ASP 37 -8.130 -10.411 1.900 290 1HB ASP 37 HB2 ASP 37 -5.816 -9.463 2.753 291 2HB ASP 37 HB1 ASP 37 -6.832 -8.503 3.829 292 H ASN 38 HN ASN 38 -8.086 -7.036 3.118 293 HA ASN 38 HA ASN 38 -10.680 -7.270 4.405 294 1HB ASN 38 HB2 ASN 38 -8.859 -4.963 3.655 295 2HB ASN 38 HB1 ASN 38 -10.334 -4.756 4.600 296 1HD2 ASN 38 HD21 ASN 38 -7.044 -5.164 4.965 297 2HD2 ASN 38 HD22 ASN 38 -7.023 -5.864 6.511 298 H GLY 39 HN GLY 39 -9.528 -5.673 1.418 299 1HA GLY 39 HA2 GLY 39 -11.089 -5.995 -0.564 300 2HA GLY 39 HA1 GLY 39 -12.379 -5.493 0.528 301 H ILE 40 HN ILE 40 -9.275 -4.333 -0.820 302 HA ILE 40 HA ILE 40 -10.426 -1.562 -0.760 303 HB ILE 40 HB ILE 40 -7.584 -2.546 -0.328 304 1HG1 ILE 40 HG12 ILE 40 -9.527 -1.091 1.496 305 2HG1 ILE 40 HG11 ILE 40 -9.177 -2.817 1.572 306 1HG2 ILE 40 HG21 ILE 40 -7.121 -0.498 -1.313 307 2HG2 ILE 40 HG22 ILE 40 -7.460 0.062 0.327 308 3HG2 ILE 40 HG23 ILE 40 -8.710 0.160 -0.912 309 1HD1 ILE 40 HD11 ILE 40 -7.888 -1.164 3.154 310 2HD1 ILE 40 HD12 ILE 40 -6.915 -0.841 1.718 311 3HD1 ILE 40 HD13 ILE 40 -7.006 -2.476 2.371 312 H ASP 41 HN ASP 41 -11.119 -2.732 -2.990 313 HA ASP 41 HA ASP 41 -9.038 -2.706 -5.068 314 1HB ASP 41 HB2 ASP 41 -11.938 -3.338 -4.768 315 2HB ASP 41 HB1 ASP 41 -11.398 -2.873 -6.382 316 H GLY 42 HN GLY 42 -8.741 -0.295 -4.101 317 1HA GLY 42 HA2 GLY 42 -10.587 1.632 -5.367 318 2HA GLY 42 HA1 GLY 42 -9.278 2.020 -4.250 319 H GLU 43 HN GLU 43 -8.184 3.506 -5.472 320 HA GLU 43 HA GLU 43 -7.138 2.613 -8.098 321 1HB GLU 43 HB2 GLU 43 -7.856 5.326 -6.969 322 2HB GLU 43 HB1 GLU 43 -6.943 5.138 -8.467 323 1HG GLU 43 HG2 GLU 43 -9.651 3.870 -7.970 324 2HG GLU 43 HG1 GLU 43 -9.420 5.398 -8.821 325 H TRP 44 HN TRP 44 -5.139 1.794 -7.573 326 HA TRP 44 HA TRP 44 -3.527 2.804 -5.427 327 1HB TRP 44 HB2 TRP 44 -3.116 0.888 -7.714 328 2HB TRP 44 HB1 TRP 44 -1.849 1.218 -6.526 329 HD1 TRP 44 HD1 TRP 44 -5.526 0.059 -6.650 330 HE1 TRP 44 HE1 TRP 44 -5.954 -1.466 -4.612 331 HE3 TRP 44 HE3 TRP 44 -1.004 0.428 -4.305 332 HZ2 TRP 44 HZ2 TRP 44 -4.563 -2.388 -2.297 333 HZ3 TRP 44 HZ3 TRP 44 -0.586 -0.782 -2.182 334 HH2 TRP 44 HH2 TRP 44 -2.358 -2.195 -1.180 335 H THR 45 HN THR 45 -1.728 4.056 -5.464 336 HA THR 45 HA THR 45 -0.580 5.063 -7.984 337 HB THR 45 HB THR 45 -0.917 7.446 -6.946 338 HG1 THR 45 HG1 THR 45 -3.138 6.087 -5.834 339 1HG2 THR 45 HG21 THR 45 -2.049 6.272 -9.005 340 2HG2 THR 45 HG22 THR 45 -2.730 7.771 -8.374 341 3HG2 THR 45 HG23 THR 45 -3.465 6.224 -7.955 342 H TYR 46 HN TYR 46 1.593 5.301 -7.638 343 HA TYR 46 HA TYR 46 2.569 5.095 -4.827 344 1HB TYR 46 HB2 TYR 46 3.310 3.334 -6.267 345 2HB TYR 46 HB1 TYR 46 3.660 4.449 -7.582 346 HD1 TYR 46 HD1 TYR 46 4.875 3.027 -4.410 347 HD2 TYR 46 HD2 TYR 46 5.677 5.846 -7.551 348 HE1 TYR 46 HE1 TYR 46 7.225 3.195 -3.656 349 HE2 TYR 46 HE2 TYR 46 8.031 6.019 -6.793 350 HH TYR 46 HH TYR 46 9.621 4.133 -5.312 351 H ASP 47 HN ASP 47 3.864 6.703 -3.961 352 HA ASP 47 HA ASP 47 4.390 9.116 -5.662 353 1HB ASP 47 HB2 ASP 47 2.830 8.980 -3.508 354 2HB ASP 47 HB1 ASP 47 4.371 9.134 -2.663 355 H ASP 48 HN ASP 48 6.522 9.397 -6.124 356 HA ASP 48 HA ASP 48 8.620 7.845 -4.830 357 1HB ASP 48 HB2 ASP 48 8.367 8.742 -7.263 358 2HB ASP 48 HB1 ASP 48 9.003 10.252 -6.607 359 H ALA 49 HN ALA 49 7.191 10.972 -4.255 360 HA ALA 49 HA ALA 49 9.287 12.454 -3.127 361 1HB ALA 49 HB1 ALA 49 7.559 13.778 -2.264 362 2HB ALA 49 HB2 ALA 49 6.548 12.382 -1.894 363 3HB ALA 49 HB3 ALA 49 6.737 12.916 -3.564 364 H THR 50 HN THR 50 7.280 9.928 -1.623 365 HA THR 50 HA THR 50 9.327 9.615 0.513 366 HB THR 50 HB THR 50 7.526 9.759 2.228 367 HG1 THR 50 HG1 THR 50 5.529 9.862 1.617 368 1HG2 THR 50 HG21 THR 50 7.339 12.146 2.223 369 2HG2 THR 50 HG22 THR 50 7.502 12.218 0.468 370 3HG2 THR 50 HG23 THR 50 8.886 11.769 1.464 371 H LYS 51 HN LYS 51 7.928 8.055 -1.854 372 HA LYS 51 HA LYS 51 7.230 5.838 -2.269 373 1HB LYS 51 HB2 LYS 51 9.348 5.946 -0.315 374 2HB LYS 51 HB1 LYS 51 8.297 4.582 0.062 375 1HG LYS 51 HG2 LYS 51 9.554 3.498 -1.501 376 2HG LYS 51 HG1 LYS 51 8.496 4.325 -2.645 377 1HD LYS 51 HD2 LYS 51 10.805 4.711 -3.306 378 2HD LYS 51 HD1 LYS 51 10.131 6.225 -2.700 379 1HE LYS 51 HE2 LYS 51 11.550 6.273 -0.909 380 2HE LYS 51 HE1 LYS 51 11.398 4.526 -0.629 381 1HZ LYS 51 HZ1 LYS 51 12.743 4.150 -2.626 382 2HZ LYS 51 HZ2 LYS 51 13.601 5.030 -1.453 383 3HZ LYS 51 HZ3 LYS 51 12.951 5.824 -2.807 384 H THR 52 HN THR 52 4.947 6.013 -1.964 385 HA THR 52 HA THR 52 3.933 4.688 0.478 386 HB THR 52 HB THR 52 3.126 7.502 -0.327 387 HG1 THR 52 HG1 THR 52 4.728 8.045 0.883 388 1HG2 THR 52 HG21 THR 52 1.617 7.479 1.470 389 2HG2 THR 52 HG22 THR 52 2.404 6.099 2.235 390 3HG2 THR 52 HG23 THR 52 1.427 5.865 0.786 391 H PHE 53 HN PHE 53 2.751 3.108 -0.578 392 HA PHE 53 HA PHE 53 1.405 3.439 -3.109 393 1HB PHE 53 HB2 PHE 53 1.164 1.498 -0.788 394 2HB PHE 53 HB1 PHE 53 0.242 1.305 -2.278 395 HD1 PHE 53 HD1 PHE 53 1.305 0.643 -4.337 396 HD2 PHE 53 HD2 PHE 53 3.622 1.328 -0.792 397 HE1 PHE 53 HE1 PHE 53 3.268 -0.433 -5.414 398 HE2 PHE 53 HE2 PHE 53 5.586 0.254 -1.860 399 HZ PHE 53 HZ PHE 53 5.409 -0.627 -4.174 400 H THR 54 HN THR 54 -0.535 4.506 -3.475 401 HA THR 54 HA THR 54 -2.233 5.083 -1.061 402 HB THR 54 HB THR 54 -1.827 6.698 -3.591 403 HG1 THR 54 HG1 THR 54 -0.294 7.710 -2.537 404 1HG2 THR 54 HG21 THR 54 -2.871 7.865 -1.061 405 2HG2 THR 54 HG22 THR 54 -3.971 6.834 -1.975 406 3HG2 THR 54 HG23 THR 54 -3.269 8.263 -2.732 407 H VAL 55 HN VAL 55 -3.908 3.544 -1.241 408 HA VAL 55 HA VAL 55 -5.344 3.389 -3.823 409 HB VAL 55 HB VAL 55 -4.496 1.254 -2.795 410 1HG1 VAL 55 HG11 VAL 55 -4.896 2.042 -0.415 411 2HG1 VAL 55 HG12 VAL 55 -5.434 0.398 -0.774 412 3HG1 VAL 55 HG13 VAL 55 -6.607 1.723 -0.702 413 1HG2 VAL 55 HG21 VAL 55 -6.504 0.005 -3.181 414 2HG2 VAL 55 HG22 VAL 55 -6.546 1.395 -4.266 415 3HG2 VAL 55 HG23 VAL 55 -7.510 1.400 -2.788 416 H THR 56 HN THR 56 -7.799 3.225 -3.532 417 HA THR 56 HA THR 56 -8.941 4.462 -1.125 418 HB THR 56 HB THR 56 -8.818 5.840 -3.822 419 HG1 THR 56 HG1 THR 56 -7.388 7.142 -2.895 420 1HG2 THR 56 HG21 THR 56 -10.814 6.694 -3.104 421 2HG2 THR 56 HG22 THR 56 -9.780 7.706 -2.094 422 3HG2 THR 56 HG23 THR 56 -10.512 6.248 -1.424 423 H GLU 57 HN GLU 57 -10.659 3.045 -0.926 424 HA GLU 57 HA GLU 57 -12.141 2.183 -3.367 425 1HB GLU 57 HB2 GLU 57 -11.173 0.808 -1.245 426 2HB GLU 57 HB1 GLU 57 -12.791 1.172 -0.644 427 1HG GLU 57 HG2 GLU 57 -12.239 -0.067 -3.354 428 2HG GLU 57 HG1 GLU 57 -12.650 -0.996 -1.912 Start of MODEL 27 1 1H MET 1 HT1 MET 1 16.640 -1.283 4.825 2 2H MET 1 HT2 MET 1 17.577 -0.926 3.454 3 3H MET 1 HT3 MET 1 17.754 -2.421 4.242 4 HA MET 1 HA MET 1 16.469 -2.848 2.305 5 1HB MET 1 HB2 MET 1 15.032 -2.668 4.955 6 2HB MET 1 HB1 MET 1 14.254 -3.392 3.547 7 1HG MET 1 HG2 MET 1 16.976 -4.248 4.560 8 2HG MET 1 HG1 MET 1 15.473 -5.036 5.039 9 1HE MET 1 HE1 MET 1 14.379 -7.190 3.082 10 2HE MET 1 HE2 MET 1 13.791 -5.979 1.946 11 3HE MET 1 HE3 MET 1 13.793 -5.629 3.672 12 H THR 2 HN THR 2 13.986 -2.472 1.574 13 HA THR 2 HA THR 2 13.721 0.471 1.137 14 HB THR 2 HB THR 2 12.554 -1.946 -0.285 15 HG1 THR 2 HG1 THR 2 14.584 -1.953 -0.899 16 1HG2 THR 2 HG21 THR 2 11.898 -0.364 -2.024 17 2HG2 THR 2 HG22 THR 2 12.588 0.972 -1.101 18 3HG2 THR 2 HG23 THR 2 11.173 0.114 -0.487 19 H THR 3 HN THR 3 12.316 1.377 2.598 20 HA THR 3 HA THR 3 10.078 -0.174 3.687 21 HB THR 3 HB THR 3 11.074 2.632 4.246 22 HG1 THR 3 HG1 THR 3 12.404 1.737 5.641 23 1HG2 THR 3 HG21 THR 3 9.127 0.793 5.645 24 2HG2 THR 3 HG22 THR 3 8.842 2.433 5.060 25 3HG2 THR 3 HG23 THR 3 9.884 2.164 6.457 26 H PHE 4 HN PHE 4 8.309 -0.205 2.318 27 HA PHE 4 HA PHE 4 7.654 2.127 0.624 28 1HB PHE 4 HB2 PHE 4 6.565 -0.661 1.046 29 2HB PHE 4 HB1 PHE 4 5.781 0.491 -0.033 30 HD1 PHE 4 HD1 PHE 4 6.974 1.329 -2.047 31 HD2 PHE 4 HD2 PHE 4 8.648 -1.702 0.493 32 HE1 PHE 4 HE1 PHE 4 8.596 0.734 -3.826 33 HE2 PHE 4 HE2 PHE 4 10.270 -2.296 -1.283 34 HZ PHE 4 HZ PHE 4 10.243 -1.081 -3.441 35 H LYS 5 HN LYS 5 5.190 2.710 0.620 36 HA LYS 5 HA LYS 5 4.017 2.646 3.366 37 1HB LYS 5 HB2 LYS 5 5.471 4.678 2.986 38 2HB LYS 5 HB1 LYS 5 4.371 5.148 1.690 39 1HG LYS 5 HG2 LYS 5 2.486 5.073 3.351 40 2HG LYS 5 HG1 LYS 5 3.680 4.798 4.620 41 1HD LYS 5 HD2 LYS 5 4.112 7.109 2.775 42 2HD LYS 5 HD1 LYS 5 2.858 7.260 4.006 43 1HE LYS 5 HE2 LYS 5 4.555 7.880 5.402 44 2HE LYS 5 HE1 LYS 5 4.997 6.161 5.417 45 1HZ LYS 5 HZ1 LYS 5 6.236 6.593 3.315 46 2HZ LYS 5 HZ2 LYS 5 6.891 7.372 4.675 47 3HZ LYS 5 HZ3 LYS 5 5.973 8.252 3.548 48 H LEU 6 HN LEU 6 2.032 1.728 2.979 49 HA LEU 6 HA LEU 6 0.594 2.285 0.434 50 1HB LEU 6 HB2 LEU 6 1.018 0.010 1.745 51 2HB LEU 6 HB1 LEU 6 -0.382 0.528 2.668 52 HG LEU 6 HG LEU 6 -0.224 -0.568 -0.071 53 1HD1 LEU 6 HD11 LEU 6 -2.778 -0.831 0.641 54 2HD1 LEU 6 HD12 LEU 6 -2.121 -0.456 2.234 55 3HD1 LEU 6 HD13 LEU 6 -1.518 -1.850 1.336 56 1HD2 LEU 6 HD21 LEU 6 -0.803 1.645 -0.841 57 2HD2 LEU 6 HD22 LEU 6 -1.966 1.863 0.467 58 3HD2 LEU 6 HD23 LEU 6 -2.297 0.706 -0.824 59 H ILE 7 HN ILE 7 -0.677 4.142 0.529 60 HA ILE 7 HA ILE 7 -1.633 5.302 2.984 61 HB ILE 7 HB ILE 7 -1.265 6.181 0.479 62 1HG1 ILE 7 HG12 ILE 7 -3.540 7.425 1.974 63 2HG1 ILE 7 HG11 ILE 7 -1.947 7.343 2.726 64 1HG2 ILE 7 HG21 ILE 7 -3.250 6.474 -0.796 65 2HG2 ILE 7 HG22 ILE 7 -4.275 5.924 0.529 66 3HG2 ILE 7 HG23 ILE 7 -3.252 4.773 -0.330 67 1HD1 ILE 7 HD11 ILE 7 -0.964 8.456 0.745 68 2HD1 ILE 7 HD12 ILE 7 -2.199 9.460 1.504 69 3HD1 ILE 7 HD13 ILE 7 -2.570 8.573 0.026 70 H ILE 8 HN ILE 8 -4.146 5.621 3.285 71 HA ILE 8 HA ILE 8 -5.568 3.063 2.642 72 HB ILE 8 HB ILE 8 -5.454 4.517 5.305 73 1HG1 ILE 8 HG12 ILE 8 -4.316 1.815 4.519 74 2HG1 ILE 8 HG11 ILE 8 -3.357 3.289 4.656 75 1HG2 ILE 8 HG21 ILE 8 -6.595 1.777 4.784 76 2HG2 ILE 8 HG22 ILE 8 -7.590 3.221 4.603 77 3HG2 ILE 8 HG23 ILE 8 -6.867 2.839 6.164 78 1HD1 ILE 8 HD11 ILE 8 -3.174 2.050 6.739 79 2HD1 ILE 8 HD12 ILE 8 -4.930 1.946 6.871 80 3HD1 ILE 8 HD13 ILE 8 -4.125 3.507 7.030 81 H ASN 9 HN ASN 9 -6.432 4.710 0.957 82 HA ASN 9 HA ASN 9 -8.411 6.622 2.088 83 1HB ASN 9 HB2 ASN 9 -6.807 6.309 -0.333 84 2HB ASN 9 HB1 ASN 9 -8.495 6.629 -0.726 85 1HD2 ASN 9 HD21 ASN 9 -6.095 8.464 -0.950 86 2HD2 ASN 9 HD22 ASN 9 -6.504 9.835 -0.036 87 H GLY 10 HN GLY 10 -9.050 3.991 2.635 88 1HA GLY 10 HA2 GLY 10 -11.152 3.280 0.637 89 2HA GLY 10 HA1 GLY 10 -10.420 2.139 1.767 90 H LYS 11 HN LYS 11 -13.217 2.506 1.548 91 HA LYS 11 HA LYS 11 -14.169 4.246 3.693 92 1HB LYS 11 HB2 LYS 11 -15.434 3.585 1.629 93 2HB LYS 11 HB1 LYS 11 -15.510 1.936 2.251 94 1HG LYS 11 HG2 LYS 11 -17.076 2.460 3.834 95 2HG LYS 11 HG1 LYS 11 -16.396 4.061 4.124 96 1HD LYS 11 HD2 LYS 11 -18.381 4.623 3.052 97 2HD LYS 11 HD1 LYS 11 -17.276 4.539 1.680 98 1HE LYS 11 HE2 LYS 11 -18.642 2.005 2.501 99 2HE LYS 11 HE1 LYS 11 -19.598 3.223 1.634 100 1HZ LYS 11 HZ1 LYS 11 -18.517 1.885 0.007 101 2HZ LYS 11 HZ2 LYS 11 -17.015 2.027 0.788 102 3HZ LYS 11 HZ3 LYS 11 -17.715 3.379 0.033 103 H THR 12 HN THR 12 -12.496 1.309 3.764 104 HA THR 12 HA THR 12 -13.941 0.287 6.160 105 HB THR 12 HB THR 12 -11.626 -0.941 4.644 106 HG1 THR 12 HG1 THR 12 -13.203 -1.949 3.381 107 1HG2 THR 12 HG21 THR 12 -12.083 -2.063 6.709 108 2HG2 THR 12 HG22 THR 12 -12.814 -3.044 5.438 109 3HG2 THR 12 HG23 THR 12 -13.824 -1.995 6.434 110 H LEU 13 HN LEU 13 -10.864 1.670 5.093 111 HA LEU 13 HA LEU 13 -10.057 1.917 7.967 112 1HB LEU 13 HB2 LEU 13 -8.532 0.728 5.643 113 2HB LEU 13 HB1 LEU 13 -7.710 1.306 7.092 114 HG LEU 13 HG LEU 13 -9.986 -0.687 7.174 115 1HD1 LEU 13 HD11 LEU 13 -8.064 -2.319 7.660 116 2HD1 LEU 13 HD12 LEU 13 -6.998 -1.092 6.976 117 3HD1 LEU 13 HD13 LEU 13 -8.262 -1.814 5.982 118 1HD2 LEU 13 HD21 LEU 13 -8.900 -1.142 9.431 119 2HD2 LEU 13 HD22 LEU 13 -9.669 0.437 9.277 120 3HD2 LEU 13 HD23 LEU 13 -7.915 0.295 9.156 121 H LYS 14 HN LYS 14 -8.265 3.556 8.212 122 HA LYS 14 HA LYS 14 -7.955 5.483 5.976 123 1HB LYS 14 HB2 LYS 14 -10.039 5.773 7.687 124 2HB LYS 14 HB1 LYS 14 -8.791 6.640 8.585 125 1HG LYS 14 HG2 LYS 14 -8.293 7.959 6.514 126 2HG LYS 14 HG1 LYS 14 -9.663 7.171 5.730 127 1HD LYS 14 HD2 LYS 14 -10.105 8.483 8.385 128 2HD LYS 14 HD1 LYS 14 -9.965 9.506 6.955 129 1HE LYS 14 HE2 LYS 14 -11.850 8.498 5.909 130 2HE LYS 14 HE1 LYS 14 -11.831 7.121 7.028 131 1HZ LYS 14 HZ1 LYS 14 -12.269 8.639 8.856 132 2HZ LYS 14 HZ2 LYS 14 -13.498 8.756 7.687 133 3HZ LYS 14 HZ3 LYS 14 -12.300 9.957 7.788 134 H GLY 15 HN GLY 15 -5.894 6.325 6.037 135 1HA GLY 15 HA2 GLY 15 -4.252 7.457 7.679 136 2HA GLY 15 HA1 GLY 15 -4.313 5.917 8.536 137 H GLU 16 HN GLU 16 -2.342 4.989 8.175 138 HA GLU 16 HA GLU 16 -1.648 4.161 5.448 139 1HB GLU 16 HB2 GLU 16 0.537 5.366 5.488 140 2HB GLU 16 HB1 GLU 16 -0.833 6.474 5.498 141 1HG GLU 16 HG2 GLU 16 -0.406 7.198 7.627 142 2HG GLU 16 HG1 GLU 16 0.153 5.615 8.166 143 H THR 17 HN THR 17 0.225 2.678 5.463 144 HA THR 17 HA THR 17 1.065 1.715 8.165 145 HB THR 17 HB THR 17 -0.031 0.009 5.905 146 HG1 THR 17 HG1 THR 17 -1.889 0.318 6.797 147 1HG2 THR 17 HG21 THR 17 0.330 -0.912 8.729 148 2HG2 THR 17 HG22 THR 17 1.744 -0.840 7.677 149 3HG2 THR 17 HG23 THR 17 0.365 -1.847 7.234 150 H THR 18 HN THR 18 3.178 0.893 8.177 151 HA THR 18 HA THR 18 4.628 0.881 5.546 152 HB THR 18 HB THR 18 6.562 1.705 6.914 153 HG1 THR 18 HG1 THR 18 6.159 2.306 9.026 154 1HG2 THR 18 HG21 THR 18 3.988 3.174 6.605 155 2HG2 THR 18 HG22 THR 18 5.571 3.521 5.910 156 3HG2 THR 18 HG23 THR 18 5.238 3.933 7.591 157 H THR 19 HN THR 19 6.235 -0.752 5.300 158 HA THR 19 HA THR 19 6.502 -2.776 7.473 159 HB THR 19 HB THR 19 4.623 -3.463 6.039 160 HG1 THR 19 HG1 THR 19 5.878 -5.135 6.759 161 1HG2 THR 19 HG21 THR 19 6.523 -3.640 3.709 162 2HG2 THR 19 HG22 THR 19 5.619 -2.159 4.021 163 3HG2 THR 19 HG23 THR 19 4.760 -3.664 3.700 164 H GLU 20 HN GLU 20 8.052 -4.624 6.282 165 HA GLU 20 HA GLU 20 10.405 -3.070 5.255 166 1HB GLU 20 HB2 GLU 20 10.076 -5.513 7.008 167 2HB GLU 20 HB1 GLU 20 11.627 -5.101 6.274 168 1HG GLU 20 HG2 GLU 20 11.707 -2.992 7.413 169 2HG GLU 20 HG1 GLU 20 10.031 -3.143 7.940 170 H ALA 21 HN ALA 21 10.403 -3.368 3.045 171 HA ALA 21 HA ALA 21 10.252 -6.186 2.030 172 1HB ALA 21 HB1 ALA 21 8.567 -3.862 1.512 173 2HB ALA 21 HB2 ALA 21 8.313 -5.542 1.044 174 3HB ALA 21 HB3 ALA 21 9.278 -4.478 0.020 175 H VAL 22 HN VAL 22 11.674 -6.623 0.280 176 HA VAL 22 HA VAL 22 14.076 -5.047 0.097 177 HB VAL 22 HB VAL 22 13.913 -7.491 -0.304 178 1HG1 VAL 22 HG11 VAL 22 12.374 -6.644 -2.777 179 2HG1 VAL 22 HG12 VAL 22 11.750 -7.593 -1.428 180 3HG1 VAL 22 HG13 VAL 22 12.982 -8.273 -2.489 181 1HG2 VAL 22 HG21 VAL 22 14.935 -5.705 -2.510 182 2HG2 VAL 22 HG22 VAL 22 15.134 -7.455 -2.594 183 3HG2 VAL 22 HG23 VAL 22 15.852 -6.550 -1.262 184 H ASP 23 HN ASP 23 11.090 -5.147 -1.774 185 HA ASP 23 HA ASP 23 11.531 -2.530 -2.928 186 1HB ASP 23 HB2 ASP 23 13.062 -4.332 -4.137 187 2HB ASP 23 HB1 ASP 23 11.565 -4.711 -4.989 188 H ALA 24 HN ALA 24 9.855 -2.429 -4.990 189 HA ALA 24 HA ALA 24 7.250 -2.621 -3.986 190 1HB ALA 24 HB1 ALA 24 7.659 -1.257 -5.869 191 2HB ALA 24 HB2 ALA 24 6.693 -2.581 -6.522 192 3HB ALA 24 HB3 ALA 24 8.441 -2.567 -6.753 193 H ALA 25 HN ALA 25 9.206 -5.128 -5.451 194 HA ALA 25 HA ALA 25 7.201 -6.956 -6.309 195 1HB ALA 25 HB1 ALA 25 9.720 -7.894 -4.981 196 2HB ALA 25 HB2 ALA 25 9.858 -6.877 -6.415 197 3HB ALA 25 HB3 ALA 25 9.002 -8.416 -6.505 198 H THR 26 HN THR 26 8.621 -6.416 -3.092 199 HA THR 26 HA THR 26 6.855 -8.524 -1.934 200 HB THR 26 HB THR 26 8.984 -6.875 -0.558 201 HG1 THR 26 HG1 THR 26 9.351 -9.320 -1.940 202 1HG2 THR 26 HG21 THR 26 7.298 -8.499 0.610 203 2HG2 THR 26 HG22 THR 26 9.008 -8.591 1.031 204 3HG2 THR 26 HG23 THR 26 8.311 -9.766 -0.084 205 H ALA 27 HN ALA 27 7.384 -5.043 -1.975 206 HA ALA 27 HA ALA 27 5.875 -4.291 0.331 207 1HB ALA 27 HB1 ALA 27 6.250 -2.171 -0.486 208 2HB ALA 27 HB2 ALA 27 5.771 -2.610 -2.125 209 3HB ALA 27 HB3 ALA 27 7.377 -3.035 -1.533 210 H GLU 28 HN GLU 28 4.792 -4.143 -3.086 211 HA GLU 28 HA GLU 28 2.021 -3.750 -2.518 212 1HB GLU 28 HB2 GLU 28 3.327 -3.437 -4.690 213 2HB GLU 28 HB1 GLU 28 3.214 -5.185 -4.908 214 1HG GLU 28 HG2 GLU 28 0.722 -4.993 -4.716 215 2HG GLU 28 HG1 GLU 28 0.901 -3.239 -4.673 216 H LYS 29 HN LYS 29 3.921 -6.730 -2.945 217 HA LYS 29 HA LYS 29 1.806 -8.624 -3.054 218 1HB LYS 29 HB2 LYS 29 4.336 -8.891 -3.367 219 2HB LYS 29 HB1 LYS 29 4.441 -8.984 -1.609 220 1HG LYS 29 HG2 LYS 29 3.128 -10.964 -1.528 221 2HG LYS 29 HG1 LYS 29 2.578 -10.759 -3.192 222 1HD LYS 29 HD2 LYS 29 4.731 -11.294 -4.074 223 2HD LYS 29 HD1 LYS 29 5.491 -11.159 -2.487 224 1HE LYS 29 HE2 LYS 29 5.262 -13.470 -2.598 225 2HE LYS 29 HE1 LYS 29 3.676 -13.069 -1.910 226 1HZ LYS 29 HZ1 LYS 29 3.512 -14.459 -3.927 227 2HZ LYS 29 HZ2 LYS 29 4.262 -13.223 -4.820 228 3HZ LYS 29 HZ3 LYS 29 2.744 -12.957 -4.105 229 H VAL 30 HN VAL 30 3.478 -7.236 -0.219 230 HA VAL 30 HA VAL 30 1.817 -8.707 1.699 231 HB VAL 30 HB VAL 30 3.764 -6.386 1.951 232 1HG1 VAL 30 HG11 VAL 30 2.439 -6.378 3.931 233 2HG1 VAL 30 HG12 VAL 30 3.897 -7.274 4.356 234 3HG1 VAL 30 HG13 VAL 30 2.403 -8.140 4.004 235 1HG2 VAL 30 HG21 VAL 30 5.401 -8.060 2.536 236 2HG2 VAL 30 HG22 VAL 30 4.647 -8.572 1.027 237 3HG2 VAL 30 HG23 VAL 30 4.177 -9.328 2.549 238 H PHE 31 HN PHE 31 2.090 -5.313 0.603 239 HA PHE 31 HA PHE 31 -0.006 -4.263 2.250 240 1HB PHE 31 HB2 PHE 31 1.403 -3.468 -0.286 241 2HB PHE 31 HB1 PHE 31 0.034 -2.514 0.282 242 HD1 PHE 31 HD1 PHE 31 3.397 -2.375 0.244 243 HD2 PHE 31 HD2 PHE 31 0.233 -2.477 3.150 244 HE1 PHE 31 HE1 PHE 31 4.865 -1.241 1.889 245 HE2 PHE 31 HE2 PHE 31 1.703 -1.342 4.791 246 HZ PHE 31 HZ PHE 31 4.020 -0.725 4.161 247 H LYS 32 HN LYS 32 -0.039 -5.832 -0.929 248 HA LYS 32 HA LYS 32 -2.748 -5.175 -1.648 249 1HB LYS 32 HB2 LYS 32 -1.033 -6.063 -3.200 250 2HB LYS 32 HB1 LYS 32 -1.005 -7.584 -2.308 251 1HG LYS 32 HG2 LYS 32 -2.591 -8.277 -3.773 252 2HG LYS 32 HG1 LYS 32 -3.700 -7.262 -2.851 253 1HD LYS 32 HD2 LYS 32 -2.933 -5.333 -4.371 254 2HD LYS 32 HD1 LYS 32 -2.232 -6.581 -5.402 255 1HE LYS 32 HE2 LYS 32 -5.066 -6.967 -4.525 256 2HE LYS 32 HE1 LYS 32 -4.745 -5.752 -5.778 257 1HZ LYS 32 HZ1 LYS 32 -3.626 -8.500 -5.839 258 2HZ LYS 32 HZ2 LYS 32 -3.584 -7.340 -7.080 259 3HZ LYS 32 HZ3 LYS 32 -5.056 -8.064 -6.640 260 H GLN 33 HN GLN 33 -1.308 -7.966 0.061 261 HA GLN 33 HA GLN 33 -3.742 -9.403 0.526 262 1HB GLN 33 HB2 GLN 33 -1.433 -10.303 0.753 263 2HB GLN 33 HB1 GLN 33 -1.186 -9.262 2.156 264 1HG GLN 33 HG2 GLN 33 -1.878 -11.136 3.283 265 2HG GLN 33 HG1 GLN 33 -3.473 -10.480 2.912 266 1HE2 GLN 33 HE21 GLN 33 -4.819 -11.696 1.515 267 2HE2 GLN 33 HE22 GLN 33 -4.331 -13.129 0.747 268 H TYR 34 HN TYR 34 -2.137 -6.801 2.199 269 HA TYR 34 HA TYR 34 -3.698 -6.777 4.618 270 1HB TYR 34 HB2 TYR 34 -1.715 -5.549 4.720 271 2HB TYR 34 HB1 TYR 34 -1.880 -4.946 3.076 272 HD1 TYR 34 HD1 TYR 34 -3.050 -4.551 6.567 273 HD2 TYR 34 HD2 TYR 34 -2.999 -2.874 2.620 274 HE1 TYR 34 HE1 TYR 34 -3.975 -2.424 7.460 275 HE2 TYR 34 HE2 TYR 34 -3.922 -0.749 3.500 276 HH TYR 34 HH TYR 34 -3.936 0.046 6.726 277 H ALA 35 HN ALA 35 -3.929 -4.774 1.658 278 HA ALA 35 HA ALA 35 -6.400 -3.488 2.306 279 1HB ALA 35 HB1 ALA 35 -5.370 -2.434 0.550 280 2HB ALA 35 HB2 ALA 35 -6.317 -3.557 -0.427 281 3HB ALA 35 HB3 ALA 35 -4.637 -3.931 -0.036 282 H ASN 36 HN ASN 36 -5.715 -6.430 0.395 283 HA ASN 36 HA ASN 36 -8.343 -7.035 -0.440 284 1HB ASN 36 HB2 ASN 36 -5.755 -8.409 -0.071 285 2HB ASN 36 HB1 ASN 36 -7.156 -9.479 -0.064 286 1HD2 ASN 36 HD21 ASN 36 -4.959 -8.832 -2.192 287 2HD2 ASN 36 HD22 ASN 36 -5.861 -8.550 -3.602 288 H ASP 37 HN ASP 37 -6.690 -7.728 2.618 289 HA ASP 37 HA ASP 37 -8.592 -9.534 3.753 290 1HB ASP 37 HB2 ASP 37 -6.180 -8.532 4.444 291 2HB ASP 37 HB1 ASP 37 -7.206 -7.541 5.482 292 H ASN 38 HN ASN 38 -8.374 -5.973 3.888 293 HA ASN 38 HA ASN 38 -10.861 -5.744 5.443 294 1HB ASN 38 HB2 ASN 38 -8.982 -3.770 4.105 295 2HB ASN 38 HB1 ASN 38 -10.345 -3.298 5.121 296 1HD2 ASN 38 HD21 ASN 38 -7.035 -4.135 5.197 297 2HD2 ASN 38 HD22 ASN 38 -6.896 -4.398 6.868 298 H GLY 39 HN GLY 39 -9.762 -5.057 2.119 299 1HA GLY 39 HA2 GLY 39 -11.403 -5.632 0.304 300 2HA GLY 39 HA1 GLY 39 -12.636 -4.872 1.310 301 H ILE 40 HN ILE 40 -9.332 -3.795 0.445 302 HA ILE 40 HA ILE 40 -10.475 -1.149 -0.292 303 HB ILE 40 HB ILE 40 -7.655 -2.162 0.207 304 1HG1 ILE 40 HG12 ILE 40 -9.476 -0.339 1.814 305 2HG1 ILE 40 HG11 ILE 40 -9.175 -2.037 2.178 306 1HG2 ILE 40 HG21 ILE 40 -7.432 0.523 0.394 307 2HG2 ILE 40 HG22 ILE 40 -8.706 0.436 -0.820 308 3HG2 ILE 40 HG23 ILE 40 -7.147 -0.336 -1.122 309 1HD1 ILE 40 HD11 ILE 40 -7.763 -0.077 3.329 310 2HD1 ILE 40 HD12 ILE 40 -6.794 -0.262 1.867 311 3HD1 ILE 40 HD13 ILE 40 -7.037 -1.637 2.943 312 H ASP 41 HN ASP 41 -11.313 -2.606 -2.266 313 HA ASP 41 HA ASP 41 -9.318 -3.062 -4.381 314 1HB ASP 41 HB2 ASP 41 -12.330 -3.245 -4.112 315 2HB ASP 41 HB1 ASP 41 -11.515 -3.542 -5.648 316 H GLY 42 HN GLY 42 -8.890 -0.521 -3.817 317 1HA GLY 42 HA2 GLY 42 -10.676 1.259 -5.345 318 2HA GLY 42 HA1 GLY 42 -9.292 1.754 -4.367 319 H GLU 43 HN GLU 43 -8.155 2.916 -5.852 320 HA GLU 43 HA GLU 43 -7.279 1.512 -8.312 321 1HB GLU 43 HB2 GLU 43 -7.713 4.454 -7.718 322 2HB GLU 43 HB1 GLU 43 -7.063 3.838 -9.238 323 1HG GLU 43 HG2 GLU 43 -9.178 2.408 -9.397 324 2HG GLU 43 HG1 GLU 43 -9.822 3.395 -8.085 325 H TRP 44 HN TRP 44 -5.318 0.693 -7.656 326 HA TRP 44 HA TRP 44 -3.592 1.987 -5.784 327 1HB TRP 44 HB2 TRP 44 -3.326 -0.308 -7.714 328 2HB TRP 44 HB1 TRP 44 -2.010 0.169 -6.633 329 HD1 TRP 44 HD1 TRP 44 -5.733 -0.839 -6.459 330 HE1 TRP 44 HE1 TRP 44 -6.152 -1.956 -4.171 331 HE3 TRP 44 HE3 TRP 44 -1.126 -0.254 -4.331 332 HZ2 TRP 44 HZ2 TRP 44 -4.725 -2.505 -1.763 333 HZ3 TRP 44 HZ3 TRP 44 -0.686 -1.083 -2.037 334 HH2 TRP 44 HH2 TRP 44 -2.479 -2.214 -0.752 335 H THR 45 HN THR 45 -1.776 3.158 -6.066 336 HA THR 45 HA THR 45 -0.683 3.692 -8.759 337 HB THR 45 HB THR 45 -0.831 6.208 -8.073 338 HG1 THR 45 HG1 THR 45 -2.653 6.610 -6.760 339 1HG2 THR 45 HG21 THR 45 -2.219 4.750 -9.813 340 2HG2 THR 45 HG22 THR 45 -2.659 6.423 -9.466 341 3HG2 THR 45 HG23 THR 45 -3.535 5.102 -8.693 342 H TYR 46 HN TYR 46 1.510 3.818 -8.547 343 HA TYR 46 HA TYR 46 2.622 4.041 -5.780 344 1HB TYR 46 HB2 TYR 46 3.072 1.937 -6.823 345 2HB TYR 46 HB1 TYR 46 3.461 2.693 -8.362 346 HD1 TYR 46 HD1 TYR 46 4.683 2.030 -4.922 347 HD2 TYR 46 HD2 TYR 46 5.642 3.620 -8.795 348 HE1 TYR 46 HE1 TYR 46 7.079 2.052 -4.317 349 HE2 TYR 46 HE2 TYR 46 8.044 3.649 -8.187 350 HH TYR 46 HH TYR 46 9.302 1.973 -5.620 351 H ASP 47 HN ASP 47 3.674 5.922 -5.332 352 HA ASP 47 HA ASP 47 4.556 7.676 -7.574 353 1HB ASP 47 HB2 ASP 47 4.518 9.421 -5.832 354 2HB ASP 47 HB1 ASP 47 2.992 8.541 -5.848 355 H ASP 48 HN ASP 48 6.687 7.551 -8.093 356 HA ASP 48 HA ASP 48 8.652 6.199 -6.452 357 1HB ASP 48 HB2 ASP 48 8.586 6.378 -8.964 358 2HB ASP 48 HB1 ASP 48 9.039 8.076 -8.803 359 H ALA 49 HN ALA 49 7.526 9.494 -6.588 360 HA ALA 49 HA ALA 49 9.740 11.013 -5.812 361 1HB ALA 49 HB1 ALA 49 7.232 11.577 -6.293 362 2HB ALA 49 HB2 ALA 49 8.129 12.602 -5.173 363 3HB ALA 49 HB3 ALA 49 7.029 11.370 -4.554 364 H THR 50 HN THR 50 7.658 8.963 -3.789 365 HA THR 50 HA THR 50 9.742 9.005 -1.663 366 HB THR 50 HB THR 50 7.976 9.542 0.010 367 HG1 THR 50 HG1 THR 50 6.381 10.046 -2.277 368 1HG2 THR 50 HG21 THR 50 8.000 11.601 -2.205 369 2HG2 THR 50 HG22 THR 50 9.385 11.310 -1.152 370 3HG2 THR 50 HG23 THR 50 7.864 11.885 -0.469 371 H LYS 51 HN LYS 51 8.223 7.060 -3.660 372 HA LYS 51 HA LYS 51 7.435 4.835 -3.619 373 1HB LYS 51 HB2 LYS 51 9.685 5.234 -1.879 374 2HB LYS 51 HB1 LYS 51 8.629 4.030 -1.140 375 1HG LYS 51 HG2 LYS 51 9.741 2.592 -2.521 376 2HG LYS 51 HG1 LYS 51 8.588 3.180 -3.721 377 1HD LYS 51 HD2 LYS 51 10.841 3.332 -4.647 378 2HD LYS 51 HD1 LYS 51 10.230 4.962 -4.354 379 1HE LYS 51 HE2 LYS 51 11.722 5.352 -2.635 380 2HE LYS 51 HE1 LYS 51 11.743 3.650 -2.131 381 1HZ LYS 51 HZ1 LYS 51 12.888 4.668 -4.678 382 2HZ LYS 51 HZ2 LYS 51 12.978 3.076 -4.091 383 3HZ LYS 51 HZ3 LYS 51 13.801 4.327 -3.290 384 H THR 52 HN THR 52 5.174 5.418 -3.183 385 HA THR 52 HA THR 52 4.267 4.436 -0.534 386 HB THR 52 HB THR 52 3.609 7.176 -1.667 387 HG1 THR 52 HG1 THR 52 5.436 7.577 -0.713 388 1HG2 THR 52 HG21 THR 52 2.064 7.447 0.000 389 2HG2 THR 52 HG22 THR 52 2.945 6.418 1.127 390 3HG2 THR 52 HG23 THR 52 1.952 5.693 -0.136 391 H PHE 53 HN PHE 53 2.983 2.779 -1.362 392 HA PHE 53 HA PHE 53 1.479 2.863 -3.806 393 1HB PHE 53 HB2 PHE 53 1.136 1.296 -1.223 394 2HB PHE 53 HB1 PHE 53 0.294 0.918 -2.725 395 HD1 PHE 53 HD1 PHE 53 1.603 0.250 -4.757 396 HD2 PHE 53 HD2 PHE 53 3.423 0.706 -0.896 397 HE1 PHE 53 HE1 PHE 53 3.572 -1.046 -5.534 398 HE2 PHE 53 HE2 PHE 53 5.394 -0.589 -1.668 399 HZ PHE 53 HZ PHE 53 5.467 -1.466 -3.989 400 H THR 54 HN THR 54 -0.440 3.938 -4.232 401 HA THR 54 HA THR 54 -1.978 4.949 -1.855 402 HB THR 54 HB THR 54 -1.595 6.185 -4.594 403 HG1 THR 54 HG1 THR 54 -0.464 6.780 -2.064 404 1HG2 THR 54 HG21 THR 54 -3.653 6.638 -2.858 405 2HG2 THR 54 HG22 THR 54 -3.011 7.853 -3.964 406 3HG2 THR 54 HG23 THR 54 -2.467 7.812 -2.287 407 H VAL 55 HN VAL 55 -3.719 3.468 -1.765 408 HA VAL 55 HA VAL 55 -5.247 3.005 -4.252 409 HB VAL 55 HB VAL 55 -4.481 1.027 -2.900 410 1HG1 VAL 55 HG11 VAL 55 -5.416 0.557 -0.755 411 2HG1 VAL 55 HG12 VAL 55 -6.518 1.938 -0.880 412 3HG1 VAL 55 HG13 VAL 55 -4.786 2.208 -0.675 413 1HG2 VAL 55 HG21 VAL 55 -6.553 -0.162 -3.050 414 2HG2 VAL 55 HG22 VAL 55 -6.557 1.036 -4.344 415 3HG2 VAL 55 HG23 VAL 55 -7.483 1.324 -2.871 416 H THR 56 HN THR 56 -7.696 3.015 -3.902 417 HA THR 56 HA THR 56 -8.722 4.702 -1.727 418 HB THR 56 HB THR 56 -8.602 5.581 -4.624 419 HG1 THR 56 HG1 THR 56 -7.151 7.039 -3.916 420 1HG2 THR 56 HG21 THR 56 -9.656 7.673 -3.798 421 2HG2 THR 56 HG22 THR 56 -9.825 6.940 -2.202 422 3HG2 THR 56 HG23 THR 56 -10.712 6.277 -3.576 423 H GLU 57 HN GLU 57 -10.486 3.409 -1.255 424 HA GLU 57 HA GLU 57 -12.076 2.226 -3.484 425 1HB GLU 57 HB2 GLU 57 -11.114 1.168 -1.193 426 2HB GLU 57 HB1 GLU 57 -12.680 1.732 -0.607 427 1HG GLU 57 HG2 GLU 57 -12.305 0.004 -3.070 428 2HG GLU 57 HG1 GLU 57 -12.745 -0.617 -1.478 Start of MODEL 28 1 1H MET 1 HT1 MET 1 -17.167 2.750 3.808 2 2H MET 1 HT2 MET 1 -16.539 1.250 4.302 3 3H MET 1 HT3 MET 1 -17.368 1.382 2.826 4 HA MET 1 HA MET 1 -15.633 2.639 1.837 5 1HB MET 1 HB2 MET 1 -13.741 3.393 3.282 6 2HB MET 1 HB1 MET 1 -15.285 4.065 3.801 7 1HG MET 1 HG2 MET 1 -14.482 1.463 5.017 8 2HG MET 1 HG1 MET 1 -13.572 2.887 5.517 9 1HE MET 1 HE1 MET 1 -15.610 2.397 8.485 10 2HE MET 1 HE2 MET 1 -14.493 1.519 7.443 11 3HE MET 1 HE3 MET 1 -16.190 1.048 7.499 12 H THR 2 HN THR 2 -13.678 1.646 1.022 13 HA THR 2 HA THR 2 -13.470 -1.237 1.668 14 HB THR 2 HB THR 2 -12.133 0.496 -0.436 15 HG1 THR 2 HG1 THR 2 -14.471 -1.107 -0.486 16 1HG2 THR 2 HG21 THR 2 -12.373 -2.491 -0.040 17 2HG2 THR 2 HG22 THR 2 -10.898 -1.534 -0.184 18 3HG2 THR 2 HG23 THR 2 -11.941 -1.766 -1.589 19 H THR 3 HN THR 3 -12.110 -1.688 3.364 20 HA THR 3 HA THR 3 -9.861 0.009 4.064 21 HB THR 3 HB THR 3 -10.535 -2.746 5.099 22 HG1 THR 3 HG1 THR 3 -11.692 -0.236 5.717 23 1HG2 THR 3 HG21 THR 3 -8.508 -1.953 6.038 24 2HG2 THR 3 HG22 THR 3 -9.737 -1.581 7.248 25 3HG2 THR 3 HG23 THR 3 -9.128 -0.309 6.189 26 H PHE 4 HN PHE 4 -8.213 -0.099 2.511 27 HA PHE 4 HA PHE 4 -7.374 -2.701 1.386 28 1HB PHE 4 HB2 PHE 4 -6.541 0.193 1.064 29 2HB PHE 4 HB1 PHE 4 -5.725 -1.123 0.222 30 HD1 PHE 4 HD1 PHE 4 -7.080 -2.625 -1.314 31 HD2 PHE 4 HD2 PHE 4 -8.619 1.042 0.310 32 HE1 PHE 4 HE1 PHE 4 -8.848 -2.595 -3.054 33 HE2 PHE 4 HE2 PHE 4 -10.385 1.071 -1.429 34 HZ PHE 4 HZ PHE 4 -10.499 -0.746 -3.111 35 H LYS 5 HN LYS 5 -4.963 -3.227 1.482 36 HA LYS 5 HA LYS 5 -3.696 -2.313 4.043 37 1HB LYS 5 HB2 LYS 5 -4.509 -5.012 3.093 38 2HB LYS 5 HB1 LYS 5 -2.942 -4.910 3.897 39 1HG LYS 5 HG2 LYS 5 -3.920 -3.969 5.875 40 2HG LYS 5 HG1 LYS 5 -5.471 -3.732 5.069 41 1HD LYS 5 HD2 LYS 5 -5.623 -6.222 4.767 42 2HD LYS 5 HD1 LYS 5 -4.166 -6.382 5.749 43 1HE LYS 5 HE2 LYS 5 -5.257 -5.468 7.685 44 2HE LYS 5 HE1 LYS 5 -6.654 -4.942 6.724 45 1HZ LYS 5 HZ1 LYS 5 -7.121 -7.225 6.163 46 2HZ LYS 5 HZ2 LYS 5 -7.056 -7.075 7.854 47 3HZ LYS 5 HZ3 LYS 5 -5.752 -7.760 7.008 48 H LEU 6 HN LEU 6 -1.753 -1.408 3.500 49 HA LEU 6 HA LEU 6 -0.361 -2.266 1.010 50 1HB LEU 6 HB2 LEU 6 -0.977 0.158 1.952 51 2HB LEU 6 HB1 LEU 6 0.530 -0.053 2.824 52 HG LEU 6 HG LEU 6 0.063 0.483 -0.052 53 1HD1 LEU 6 HD11 LEU 6 2.061 1.077 2.086 54 2HD1 LEU 6 HD12 LEU 6 1.239 2.173 0.974 55 3HD1 LEU 6 HD13 LEU 6 2.593 1.195 0.409 56 1HD2 LEU 6 HD21 LEU 6 2.119 -1.576 0.815 57 2HD2 LEU 6 HD22 LEU 6 2.278 -0.642 -0.674 58 3HD2 LEU 6 HD23 LEU 6 0.908 -1.729 -0.457 59 H ILE 7 HN ILE 7 1.101 -3.945 1.373 60 HA ILE 7 HA ILE 7 2.263 -4.530 3.947 61 HB ILE 7 HB ILE 7 1.879 -5.929 1.710 62 1HG1 ILE 7 HG12 ILE 7 3.739 -7.486 2.503 63 2HG1 ILE 7 HG11 ILE 7 4.135 -6.243 3.691 64 1HG2 ILE 7 HG21 ILE 7 3.747 -4.359 0.632 65 2HG2 ILE 7 HG22 ILE 7 3.607 -6.060 0.186 66 3HG2 ILE 7 HG23 ILE 7 4.822 -5.553 1.359 67 1HD1 ILE 7 HD11 ILE 7 2.174 -6.553 4.874 68 2HD1 ILE 7 HD12 ILE 7 2.398 -8.188 4.252 69 3HD1 ILE 7 HD13 ILE 7 1.277 -7.086 3.452 70 H ILE 8 HN ILE 8 4.742 -4.441 4.292 71 HA ILE 8 HA ILE 8 5.877 -1.965 3.029 72 HB ILE 8 HB ILE 8 6.054 -2.866 5.923 73 1HG1 ILE 8 HG12 ILE 8 4.563 -0.499 4.753 74 2HG1 ILE 8 HG11 ILE 8 3.790 -2.032 5.156 75 1HG2 ILE 8 HG21 ILE 8 7.148 -0.746 6.321 76 2HG2 ILE 8 HG22 ILE 8 6.898 -0.251 4.647 77 3HG2 ILE 8 HG23 ILE 8 8.013 -1.565 5.022 78 1HD1 ILE 8 HD11 ILE 8 5.031 -0.004 6.996 79 2HD1 ILE 8 HD12 ILE 8 4.922 -1.692 7.492 80 3HD1 ILE 8 HD13 ILE 8 3.456 -0.789 7.111 81 H ASN 9 HN ASN 9 6.873 -3.805 1.639 82 HA ASN 9 HA ASN 9 9.097 -5.229 3.015 83 1HB ASN 9 HB2 ASN 9 7.395 -5.588 0.665 84 2HB ASN 9 HB1 ASN 9 9.097 -5.816 0.269 85 1HD2 ASN 9 HD21 ASN 9 6.393 -7.460 1.394 86 2HD2 ASN 9 HD22 ASN 9 7.173 -8.742 2.187 87 H GLY 10 HN GLY 10 9.438 -2.499 3.008 88 1HA GLY 10 HA2 GLY 10 11.260 -1.879 0.736 89 2HA GLY 10 HA1 GLY 10 10.562 -0.690 1.841 90 H LYS 11 HN LYS 11 13.276 -0.654 1.358 91 HA LYS 11 HA LYS 11 14.673 -2.084 3.523 92 1HB LYS 11 HB2 LYS 11 15.548 -1.608 1.184 93 2HB LYS 11 HB1 LYS 11 15.662 0.088 1.655 94 1HG LYS 11 HG2 LYS 11 17.443 -0.277 3.053 95 2HG LYS 11 HG1 LYS 11 16.883 -1.884 3.516 96 1HD LYS 11 HD2 LYS 11 17.539 -2.725 1.261 97 2HD LYS 11 HD1 LYS 11 18.190 -1.129 0.886 98 1HE LYS 11 HE2 LYS 11 20.010 -1.391 2.288 99 2HE LYS 11 HE1 LYS 11 19.120 -2.434 3.415 100 1HZ LYS 11 HZ1 LYS 11 19.058 -4.146 1.676 101 2HZ LYS 11 HZ2 LYS 11 20.651 -3.765 2.129 102 3HZ LYS 11 HZ3 LYS 11 20.011 -3.163 0.674 103 H THR 12 HN THR 12 12.635 0.502 3.620 104 HA THR 12 HA THR 12 14.318 2.031 5.571 105 HB THR 12 HB THR 12 11.815 2.945 4.136 106 HG1 THR 12 HG1 THR 12 12.989 2.854 2.410 107 1HG2 THR 12 HG21 THR 12 13.888 4.154 5.872 108 2HG2 THR 12 HG22 THR 12 12.199 4.612 5.645 109 3HG2 THR 12 HG23 THR 12 13.415 5.114 4.471 110 H LEU 13 HN LEU 13 11.218 0.402 5.019 111 HA LEU 13 HA LEU 13 10.728 0.508 7.969 112 1HB LEU 13 HB2 LEU 13 9.481 2.173 6.142 113 2HB LEU 13 HB1 LEU 13 8.328 0.849 6.298 114 HG LEU 13 HG LEU 13 8.778 1.145 8.876 115 1HD1 LEU 13 HD11 LEU 13 9.420 3.344 9.551 116 2HD1 LEU 13 HD12 LEU 13 9.315 3.958 7.901 117 3HD1 LEU 13 HD13 LEU 13 10.613 2.850 8.349 118 1HD2 LEU 13 HD21 LEU 13 7.125 3.019 7.159 119 2HD2 LEU 13 HD22 LEU 13 6.966 2.916 8.912 120 3HD2 LEU 13 HD23 LEU 13 6.596 1.513 7.909 121 H LYS 14 HN LYS 14 8.893 -1.055 8.546 122 HA LYS 14 HA LYS 14 8.438 -3.248 6.612 123 1HB LYS 14 HB2 LYS 14 10.684 -3.445 7.953 124 2HB LYS 14 HB1 LYS 14 9.634 -3.900 9.296 125 1HG LYS 14 HG2 LYS 14 8.567 -5.539 7.534 126 2HG LYS 14 HG1 LYS 14 10.105 -5.328 6.696 127 1HD LYS 14 HD2 LYS 14 11.314 -6.012 8.739 128 2HD LYS 14 HD1 LYS 14 9.775 -6.233 9.572 129 1HE LYS 14 HE2 LYS 14 9.268 -8.173 8.410 130 2HE LYS 14 HE1 LYS 14 10.165 -7.663 6.966 131 1HZ LYS 14 HZ1 LYS 14 11.338 -9.396 8.252 132 2HZ LYS 14 HZ2 LYS 14 11.415 -8.336 9.578 133 3HZ LYS 14 HZ3 LYS 14 12.226 -7.956 8.135 134 H GLY 15 HN GLY 15 6.546 -4.396 7.102 135 1HA GLY 15 HA2 GLY 15 5.106 -5.152 9.113 136 2HA GLY 15 HA1 GLY 15 5.025 -3.428 9.480 137 H GLU 16 HN GLU 16 2.851 -3.057 9.086 138 HA GLU 16 HA GLU 16 1.998 -3.106 6.250 139 1HB GLU 16 HB2 GLU 16 1.516 -5.300 7.712 140 2HB GLU 16 HB1 GLU 16 0.138 -4.334 8.242 141 1HG GLU 16 HG2 GLU 16 0.772 -4.564 5.311 142 2HG GLU 16 HG1 GLU 16 -0.122 -5.849 6.125 143 H THR 17 HN THR 17 0.105 -1.750 5.905 144 HA THR 17 HA THR 17 -0.708 -0.064 8.246 145 HB THR 17 HB THR 17 -0.116 0.971 5.463 146 HG1 THR 17 HG1 THR 17 1.891 1.592 6.331 147 1HG2 THR 17 HG21 THR 17 0.193 3.103 6.837 148 2HG2 THR 17 HG22 THR 17 -0.524 2.220 8.184 149 3HG2 THR 17 HG23 THR 17 -1.458 2.495 6.714 150 H THR 18 HN THR 18 -2.724 1.247 7.657 151 HA THR 18 HA THR 18 -4.411 0.077 5.515 152 HB THR 18 HB THR 18 -6.174 -0.445 7.239 153 HG1 THR 18 HG1 THR 18 -5.720 0.575 9.038 154 1HG2 THR 18 HG21 THR 18 -3.629 -1.908 7.915 155 2HG2 THR 18 HG22 THR 18 -4.386 -2.084 6.332 156 3HG2 THR 18 HG23 THR 18 -5.267 -2.549 7.786 157 H THR 19 HN THR 19 -6.180 1.462 4.975 158 HA THR 19 HA THR 19 -6.683 3.894 6.571 159 HB THR 19 HB THR 19 -4.674 4.448 5.264 160 HG1 THR 19 HG1 THR 19 -5.679 6.278 5.193 161 1HG2 THR 19 HG21 THR 19 -6.026 4.317 2.648 162 2HG2 THR 19 HG22 THR 19 -5.686 2.743 3.367 163 3HG2 THR 19 HG23 THR 19 -4.373 3.886 3.084 164 H GLU 20 HN GLU 20 -8.736 4.734 6.131 165 HA GLU 20 HA GLU 20 -10.639 3.083 4.734 166 1HB GLU 20 HB2 GLU 20 -12.163 4.983 5.261 167 2HB GLU 20 HB1 GLU 20 -11.183 4.523 6.652 168 1HG GLU 20 HG2 GLU 20 -9.578 6.394 5.410 169 2HG GLU 20 HG1 GLU 20 -11.194 7.035 5.112 170 H ALA 21 HN ALA 21 -11.004 3.011 2.561 171 HA ALA 21 HA ALA 21 -10.687 5.483 0.930 172 1HB ALA 21 HB1 ALA 21 -9.512 2.970 -0.156 173 2HB ALA 21 HB2 ALA 21 -8.630 3.743 1.161 174 3HB ALA 21 HB3 ALA 21 -8.952 4.634 -0.326 175 H VAL 22 HN VAL 22 -12.161 5.539 -0.769 176 HA VAL 22 HA VAL 22 -14.445 3.844 -0.784 177 HB VAL 22 HB VAL 22 -14.325 6.133 -1.705 178 1HG1 VAL 22 HG11 VAL 22 -11.972 5.575 -2.744 179 2HG1 VAL 22 HG12 VAL 22 -13.030 6.732 -3.549 180 3HG1 VAL 22 HG13 VAL 22 -12.925 5.075 -4.141 181 1HG2 VAL 22 HG21 VAL 22 -16.154 4.855 -2.548 182 2HG2 VAL 22 HG22 VAL 22 -15.104 3.919 -3.612 183 3HG2 VAL 22 HG23 VAL 22 -15.425 5.618 -3.961 184 H ASP 23 HN ASP 23 -11.415 3.659 -2.614 185 HA ASP 23 HA ASP 23 -11.732 0.824 -3.123 186 1HB ASP 23 HB2 ASP 23 -11.968 1.061 -5.609 187 2HB ASP 23 HB1 ASP 23 -13.372 1.653 -4.726 188 H ALA 24 HN ALA 24 -10.053 0.403 -5.201 189 HA ALA 24 HA ALA 24 -7.460 0.880 -4.213 190 1HB ALA 24 HB1 ALA 24 -7.446 -0.806 -5.755 191 2HB ALA 24 HB2 ALA 24 -7.087 0.494 -6.892 192 3HB ALA 24 HB3 ALA 24 -8.745 -0.075 -6.698 193 H ALA 25 HN ALA 25 -9.499 2.907 -6.215 194 HA ALA 25 HA ALA 25 -7.558 4.599 -7.429 195 1HB ALA 25 HB1 ALA 25 -9.420 5.939 -7.921 196 2HB ALA 25 HB2 ALA 25 -10.189 5.606 -6.369 197 3HB ALA 25 HB3 ALA 25 -10.171 4.370 -7.627 198 H THR 26 HN THR 26 -9.338 5.080 -4.350 199 HA THR 26 HA THR 26 -7.628 7.358 -3.609 200 HB THR 26 HB THR 26 -9.755 5.831 -2.070 201 HG1 THR 26 HG1 THR 26 -11.072 7.590 -2.841 202 1HG2 THR 26 HG21 THR 26 -8.162 7.398 -0.823 203 2HG2 THR 26 HG22 THR 26 -9.884 7.744 -0.657 204 3HG2 THR 26 HG23 THR 26 -8.892 8.709 -1.751 205 H ALA 27 HN ALA 27 -7.864 3.921 -2.901 206 HA ALA 27 HA ALA 27 -6.363 3.809 -0.474 207 1HB ALA 27 HB1 ALA 27 -6.386 1.505 -0.883 208 2HB ALA 27 HB2 ALA 27 -6.168 1.714 -2.621 209 3HB ALA 27 HB3 ALA 27 -7.734 2.048 -1.883 210 H GLU 28 HN GLU 28 -5.195 3.121 -3.797 211 HA GLU 28 HA GLU 28 -2.411 3.058 -3.137 212 1HB GLU 28 HB2 GLU 28 -3.816 2.355 -5.256 213 2HB GLU 28 HB1 GLU 28 -3.456 3.995 -5.797 214 1HG GLU 28 HG2 GLU 28 -0.994 3.357 -5.076 215 2HG GLU 28 HG1 GLU 28 -1.581 1.709 -5.306 216 H LYS 29 HN LYS 29 -4.571 5.735 -3.984 217 HA LYS 29 HA LYS 29 -2.655 7.755 -4.552 218 1HB LYS 29 HB2 LYS 29 -5.173 7.807 -4.797 219 2HB LYS 29 HB1 LYS 29 -5.276 8.052 -3.053 220 1HG LYS 29 HG2 LYS 29 -4.361 10.186 -3.160 221 2HG LYS 29 HG1 LYS 29 -3.499 9.851 -4.662 222 1HD LYS 29 HD2 LYS 29 -6.499 9.808 -4.661 223 2HD LYS 29 HD1 LYS 29 -5.661 11.360 -4.700 224 1HE LYS 29 HE2 LYS 29 -4.356 10.562 -6.686 225 2HE LYS 29 HE1 LYS 29 -5.337 9.083 -6.686 226 1HZ LYS 29 HZ1 LYS 29 -6.477 11.824 -6.729 227 2HZ LYS 29 HZ2 LYS 29 -7.318 10.360 -6.920 228 3HZ LYS 29 HZ3 LYS 29 -6.239 10.887 -8.122 229 H VAL 30 HN VAL 30 -4.082 6.805 -1.409 230 HA VAL 30 HA VAL 30 -2.433 8.704 0.094 231 HB VAL 30 HB VAL 30 -4.193 6.358 0.893 232 1HG1 VAL 30 HG11 VAL 30 -2.777 6.785 2.756 233 2HG1 VAL 30 HG12 VAL 30 -4.257 7.682 3.099 234 3HG1 VAL 30 HG13 VAL 30 -2.832 8.529 2.497 235 1HG2 VAL 30 HG21 VAL 30 -5.910 8.006 1.262 236 2HG2 VAL 30 HG22 VAL 30 -5.263 8.293 -0.353 237 3HG2 VAL 30 HG23 VAL 30 -4.777 9.330 0.988 238 H PHE 31 HN PHE 31 -2.463 5.173 -0.440 239 HA PHE 31 HA PHE 31 -0.238 4.565 1.275 240 1HB PHE 31 HB2 PHE 31 -1.653 3.251 -1.036 241 2HB PHE 31 HB1 PHE 31 -0.212 2.505 -0.349 242 HD1 PHE 31 HD1 PHE 31 -0.375 2.982 2.493 243 HD2 PHE 31 HD2 PHE 31 -3.545 2.118 -0.275 244 HE1 PHE 31 HE1 PHE 31 -1.740 2.060 4.345 245 HE2 PHE 31 HE2 PHE 31 -4.909 1.198 1.579 246 HZ PHE 31 HZ PHE 31 -4.008 1.169 3.888 247 H LYS 32 HN LYS 32 -0.459 5.549 -2.124 248 HA LYS 32 HA LYS 32 2.260 4.988 -2.869 249 1HB LYS 32 HB2 LYS 32 0.421 5.461 -4.452 250 2HB LYS 32 HB1 LYS 32 0.287 7.105 -3.825 251 1HG LYS 32 HG2 LYS 32 2.173 7.817 -4.916 252 2HG LYS 32 HG1 LYS 32 2.990 6.264 -4.736 253 1HD LYS 32 HD2 LYS 32 0.587 6.427 -6.519 254 2HD LYS 32 HD1 LYS 32 2.127 7.050 -7.112 255 1HE LYS 32 HE2 LYS 32 2.020 4.321 -5.836 256 2HE LYS 32 HE1 LYS 32 1.567 4.528 -7.540 257 1HZ LYS 32 HZ1 LYS 32 4.093 5.467 -6.286 258 2HZ LYS 32 HZ2 LYS 32 3.648 5.713 -7.907 259 3HZ LYS 32 HZ3 LYS 32 3.945 4.141 -7.333 260 H GLN 33 HN GLN 33 0.677 7.957 -1.644 261 HA GLN 33 HA GLN 33 3.041 9.576 -1.523 262 1HB GLN 33 HB2 GLN 33 0.705 10.410 -1.440 263 2HB GLN 33 HB1 GLN 33 0.492 9.629 0.125 264 1HG GLN 33 HG2 GLN 33 0.988 12.011 0.441 265 2HG GLN 33 HG1 GLN 33 2.316 11.029 1.059 266 1HE2 GLN 33 HE21 GLN 33 1.578 11.926 -2.356 267 2HE2 GLN 33 HE22 GLN 33 3.058 12.710 -2.623 268 H TYR 34 HN TYR 34 1.587 7.266 0.645 269 HA TYR 34 HA TYR 34 3.160 7.782 3.001 270 1HB TYR 34 HB2 TYR 34 1.228 6.489 3.323 271 2HB TYR 34 HB1 TYR 34 1.482 5.558 1.853 272 HD1 TYR 34 HD1 TYR 34 2.536 5.999 5.371 273 HD2 TYR 34 HD2 TYR 34 2.808 3.546 1.861 274 HE1 TYR 34 HE1 TYR 34 3.585 4.192 6.716 275 HE2 TYR 34 HE2 TYR 34 3.858 1.739 3.195 276 HH TYR 34 HH TYR 34 5.092 1.473 5.275 277 H ALA 35 HN ALA 35 3.483 5.290 0.455 278 HA ALA 35 HA ALA 35 6.019 4.266 1.282 279 1HB ALA 35 HB1 ALA 35 5.012 2.873 -0.238 280 2HB ALA 35 HB2 ALA 35 5.927 3.826 -1.407 281 3HB ALA 35 HB3 ALA 35 4.235 4.211 -1.090 282 H ASN 36 HN ASN 36 5.155 6.867 -0.999 283 HA ASN 36 HA ASN 36 7.723 7.414 -2.045 284 1HB ASN 36 HB2 ASN 36 5.276 8.307 -2.533 285 2HB ASN 36 HB1 ASN 36 5.768 9.606 -1.446 286 1HD2 ASN 36 HD21 ASN 36 7.071 11.245 -2.332 287 2HD2 ASN 36 HD22 ASN 36 7.802 11.165 -3.862 288 H ASP 37 HN ASP 37 6.166 8.537 0.940 289 HA ASP 37 HA ASP 37 8.119 10.497 1.697 290 1HB ASP 37 HB2 ASP 37 5.801 10.168 2.618 291 2HB ASP 37 HB1 ASP 37 6.385 8.728 3.453 292 H ASN 38 HN ASN 38 7.869 7.004 2.364 293 HA ASN 38 HA ASN 38 10.346 7.000 3.965 294 1HB ASN 38 HB2 ASN 38 8.339 4.946 3.010 295 2HB ASN 38 HB1 ASN 38 9.791 4.486 3.899 296 1HD2 ASN 38 HD21 ASN 38 7.006 6.769 4.178 297 2HD2 ASN 38 HD22 ASN 38 6.895 6.652 5.868 298 H GLY 39 HN GLY 39 9.307 6.240 0.688 299 1HA GLY 39 HA2 GLY 39 10.873 6.267 -1.172 300 2HA GLY 39 HA1 GLY 39 12.153 5.784 -0.058 301 H ILE 40 HN ILE 40 8.898 4.436 -0.691 302 HA ILE 40 HA ILE 40 10.164 1.742 -0.931 303 HB ILE 40 HB ILE 40 7.326 2.680 -0.391 304 1HG1 ILE 40 HG12 ILE 40 9.368 1.308 1.387 305 2HG1 ILE 40 HG11 ILE 40 9.002 3.032 1.428 306 1HG2 ILE 40 HG21 ILE 40 6.920 0.593 -1.352 307 2HG2 ILE 40 HG22 ILE 40 7.232 0.113 0.319 308 3HG2 ILE 40 HG23 ILE 40 8.506 -0.032 -0.890 309 1HD1 ILE 40 HD11 ILE 40 6.972 2.716 2.455 310 2HD1 ILE 40 HD12 ILE 40 7.778 1.259 3.039 311 3HD1 ILE 40 HD13 ILE 40 6.689 1.170 1.654 312 H ASP 41 HN ASP 41 10.729 2.872 -3.215 313 HA ASP 41 HA ASP 41 8.526 2.721 -5.176 314 1HB ASP 41 HB2 ASP 41 11.473 3.384 -5.175 315 2HB ASP 41 HB1 ASP 41 10.609 3.161 -6.697 316 H GLY 42 HN GLY 42 8.514 0.307 -4.103 317 1HA GLY 42 HA2 GLY 42 10.408 -1.516 -5.419 318 2HA GLY 42 HA1 GLY 42 9.141 -1.965 -4.277 319 H GLU 43 HN GLU 43 8.078 -3.509 -5.423 320 HA GLU 43 HA GLU 43 6.975 -2.751 -8.069 321 1HB GLU 43 HB2 GLU 43 7.842 -5.382 -6.855 322 2HB GLU 43 HB1 GLU 43 6.874 -5.307 -8.328 323 1HG GLU 43 HG2 GLU 43 8.595 -4.010 -9.454 324 2HG GLU 43 HG1 GLU 43 9.539 -3.909 -7.968 325 H TRP 44 HN TRP 44 4.972 -1.967 -7.507 326 HA TRP 44 HA TRP 44 3.426 -2.969 -5.319 327 1HB TRP 44 HB2 TRP 44 2.899 -1.152 -7.659 328 2HB TRP 44 HB1 TRP 44 1.672 -1.493 -6.434 329 HD1 TRP 44 HD1 TRP 44 5.299 -0.191 -6.665 330 HE1 TRP 44 HE1 TRP 44 5.688 1.433 -4.697 331 HE3 TRP 44 HE3 TRP 44 0.827 -0.647 -4.243 332 HZ2 TRP 44 HZ2 TRP 44 4.288 2.391 -2.401 333 HZ3 TRP 44 HZ3 TRP 44 0.384 0.631 -2.165 334 HH2 TRP 44 HH2 TRP 44 2.108 2.155 -1.246 335 H THR 45 HN THR 45 1.739 -4.332 -5.265 336 HA THR 45 HA THR 45 0.606 -5.481 -7.750 337 HB THR 45 HB THR 45 0.891 -7.752 -6.364 338 HG1 THR 45 HG1 THR 45 2.763 -7.764 -5.193 339 1HG2 THR 45 HG21 THR 45 1.776 -7.823 -8.495 340 2HG2 THR 45 HG22 THR 45 3.264 -7.871 -7.551 341 3HG2 THR 45 HG23 THR 45 2.723 -6.353 -8.266 342 H TYR 46 HN TYR 46 -1.578 -5.699 -7.447 343 HA TYR 46 HA TYR 46 -2.624 -5.254 -4.686 344 1HB TYR 46 HB2 TYR 46 -3.283 -3.587 -6.276 345 2HB TYR 46 HB1 TYR 46 -3.633 -4.790 -7.510 346 HD1 TYR 46 HD1 TYR 46 -4.779 -3.487 -4.198 347 HD2 TYR 46 HD2 TYR 46 -5.787 -5.742 -7.711 348 HE1 TYR 46 HE1 TYR 46 -7.146 -3.526 -3.492 349 HE2 TYR 46 HE2 TYR 46 -8.160 -5.789 -7.000 350 HH TYR 46 HH TYR 46 -9.632 -4.141 -5.419 351 H ASP 47 HN ASP 47 -3.172 -7.156 -3.702 352 HA ASP 47 HA ASP 47 -3.939 -9.545 -5.243 353 1HB ASP 47 HB2 ASP 47 -3.700 -8.905 -2.283 354 2HB ASP 47 HB1 ASP 47 -4.002 -10.518 -2.929 355 H ASP 48 HN ASP 48 -6.009 -9.340 -6.092 356 HA ASP 48 HA ASP 48 -8.191 -7.940 -4.864 357 1HB ASP 48 HB2 ASP 48 -9.504 -9.147 -6.601 358 2HB ASP 48 HB1 ASP 48 -8.015 -8.467 -7.259 359 H ALA 49 HN ALA 49 -6.939 -11.183 -4.425 360 HA ALA 49 HA ALA 49 -9.153 -12.585 -3.427 361 1HB ALA 49 HB1 ALA 49 -7.495 -14.001 -2.403 362 2HB ALA 49 HB2 ALA 49 -6.339 -12.672 -2.313 363 3HB ALA 49 HB3 ALA 49 -6.773 -13.359 -3.878 364 H THR 50 HN THR 50 -7.105 -10.194 -1.796 365 HA THR 50 HA THR 50 -9.116 -10.030 0.401 366 HB THR 50 HB THR 50 -7.236 -10.138 2.039 367 HG1 THR 50 HG1 THR 50 -5.722 -10.897 -0.233 368 1HG2 THR 50 HG21 THR 50 -7.118 -12.474 2.050 369 2HG2 THR 50 HG22 THR 50 -7.036 -12.575 0.292 370 3HG2 THR 50 HG23 THR 50 -8.562 -12.181 1.082 371 H LYS 51 HN LYS 51 -7.787 -8.324 -1.952 372 HA LYS 51 HA LYS 51 -7.189 -6.066 -2.289 373 1HB LYS 51 HB2 LYS 51 -9.343 -6.347 -0.377 374 2HB LYS 51 HB1 LYS 51 -8.398 -4.909 0.008 375 1HG LYS 51 HG2 LYS 51 -9.780 -3.972 -1.566 376 2HG LYS 51 HG1 LYS 51 -8.549 -4.607 -2.659 377 1HD LYS 51 HD2 LYS 51 -9.870 -6.407 -3.322 378 2HD LYS 51 HD1 LYS 51 -10.825 -6.382 -1.840 379 1HE LYS 51 HE2 LYS 51 -11.336 -3.880 -2.963 380 2HE LYS 51 HE1 LYS 51 -11.306 -4.973 -4.361 381 1HZ LYS 51 HZ1 LYS 51 -13.495 -4.907 -3.246 382 2HZ LYS 51 HZ2 LYS 51 -12.772 -5.515 -1.833 383 3HZ LYS 51 HZ3 LYS 51 -12.804 -6.457 -3.247 384 H THR 52 HN THR 52 -4.894 -6.268 -1.873 385 HA THR 52 HA THR 52 -4.023 -4.838 0.568 386 HB THR 52 HB THR 52 -3.119 -7.651 -0.129 387 HG1 THR 52 HG1 THR 52 -4.748 -8.199 1.045 388 1HG2 THR 52 HG21 THR 52 -1.493 -5.953 0.994 389 2HG2 THR 52 HG22 THR 52 -1.681 -7.546 1.725 390 3HG2 THR 52 HG23 THR 52 -2.519 -6.157 2.413 391 H PHE 53 HN PHE 53 -2.879 -3.244 -0.520 392 HA PHE 53 HA PHE 53 -1.435 -3.566 -2.979 393 1HB PHE 53 HB2 PHE 53 -1.251 -1.626 -0.654 394 2HB PHE 53 HB1 PHE 53 -0.332 -1.416 -2.144 395 HD1 PHE 53 HD1 PHE 53 -1.437 -0.884 -4.247 396 HD2 PHE 53 HD2 PHE 53 -3.679 -1.393 -0.624 397 HE1 PHE 53 HE1 PHE 53 -3.417 0.150 -5.330 398 HE2 PHE 53 HE2 PHE 53 -5.660 -0.359 -1.701 399 HZ PHE 53 HZ PHE 53 -5.528 0.413 -4.055 400 H THR 54 HN THR 54 0.489 -4.660 -3.296 401 HA THR 54 HA THR 54 2.203 -5.122 -0.868 402 HB THR 54 HB THR 54 1.784 -6.846 -3.323 403 HG1 THR 54 HG1 THR 54 0.267 -7.795 -2.214 404 1HG2 THR 54 HG21 THR 54 3.980 -6.891 -1.783 405 2HG2 THR 54 HG22 THR 54 3.262 -8.366 -2.429 406 3HG2 THR 54 HG23 THR 54 2.925 -7.875 -0.769 407 H VAL 55 HN VAL 55 3.794 -3.496 -1.149 408 HA VAL 55 HA VAL 55 5.241 -3.437 -3.727 409 HB VAL 55 HB VAL 55 4.336 -1.286 -2.789 410 1HG1 VAL 55 HG11 VAL 55 6.451 -1.619 -0.676 411 2HG1 VAL 55 HG12 VAL 55 4.745 -1.957 -0.379 412 3HG1 VAL 55 HG13 VAL 55 5.257 -0.320 -0.805 413 1HG2 VAL 55 HG21 VAL 55 7.351 -1.341 -2.773 414 2HG2 VAL 55 HG22 VAL 55 6.304 0.003 -3.227 415 3HG2 VAL 55 HG23 VAL 55 6.392 -1.430 -4.251 416 H THR 56 HN THR 56 7.683 -3.186 -3.457 417 HA THR 56 HA THR 56 8.890 -4.264 -1.007 418 HB THR 56 HB THR 56 8.792 -5.777 -3.633 419 HG1 THR 56 HG1 THR 56 7.341 -6.991 -2.686 420 1HG2 THR 56 HG21 THR 56 9.844 -7.153 -1.260 421 2HG2 THR 56 HG22 THR 56 10.851 -5.804 -1.786 422 3HG2 THR 56 HG23 THR 56 10.475 -7.113 -2.906 423 H GLU 57 HN GLU 57 10.535 -2.741 -0.919 424 HA GLU 57 HA GLU 57 11.852 -1.769 -3.370 425 1HB GLU 57 HB2 GLU 57 11.187 -0.606 -1.058 426 2HB GLU 57 HB1 GLU 57 12.797 -1.160 -0.597 427 1HG GLU 57 HG2 GLU 57 13.450 -0.125 -2.958 428 2HG GLU 57 HG1 GLU 57 12.005 0.845 -2.671 Start of MODEL 29 1 1H MET 1 HT1 MET 1 -16.174 0.717 5.287 2 2H MET 1 HT2 MET 1 -16.379 2.380 5.566 3 3H MET 1 HT3 MET 1 -14.934 1.611 6.022 4 HA MET 1 HA MET 1 -15.892 2.219 3.278 5 1HB MET 1 HB2 MET 1 -13.699 3.017 5.167 6 2HB MET 1 HB1 MET 1 -13.395 3.101 3.432 7 1HG MET 1 HG2 MET 1 -14.298 5.198 3.719 8 2HG MET 1 HG1 MET 1 -15.794 4.299 3.470 9 1HE MET 1 HE1 MET 1 -15.457 7.257 5.353 10 2HE MET 1 HE2 MET 1 -13.849 6.549 5.227 11 3HE MET 1 HE3 MET 1 -14.554 6.838 6.815 12 H THR 2 HN THR 2 -13.669 1.728 1.876 13 HA THR 2 HA THR 2 -13.451 -1.205 1.891 14 HB THR 2 HB THR 2 -12.188 0.948 0.161 15 HG1 THR 2 HG1 THR 2 -14.064 1.053 -0.738 16 1HG2 THR 2 HG21 THR 2 -12.535 -2.035 -0.244 17 2HG2 THR 2 HG22 THR 2 -11.008 -1.178 -0.026 18 3HG2 THR 2 HG23 THR 2 -11.969 -0.912 -1.482 19 H THR 3 HN THR 3 -12.015 -2.076 3.340 20 HA THR 3 HA THR 3 -9.674 -0.633 4.266 21 HB THR 3 HB THR 3 -11.005 -2.072 5.739 22 HG1 THR 3 HG1 THR 3 -9.177 -2.392 6.674 23 1HG2 THR 3 HG21 THR 3 -10.105 -4.645 4.760 24 2HG2 THR 3 HG22 THR 3 -11.033 -3.805 3.517 25 3HG2 THR 3 HG23 THR 3 -11.746 -4.100 5.103 26 H PHE 4 HN PHE 4 -8.041 -0.436 2.751 27 HA PHE 4 HA PHE 4 -7.396 -2.679 0.928 28 1HB PHE 4 HB2 PHE 4 -6.522 0.186 1.310 29 2HB PHE 4 HB1 PHE 4 -5.683 -0.881 0.185 30 HD1 PHE 4 HD1 PHE 4 -8.753 0.987 0.873 31 HD2 PHE 4 HD2 PHE 4 -6.861 -1.808 -1.784 32 HE1 PHE 4 HE1 PHE 4 -10.512 1.409 -0.822 33 HE2 PHE 4 HE2 PHE 4 -8.623 -1.388 -3.479 34 HZ PHE 4 HZ PHE 4 -10.448 0.221 -2.998 35 H LYS 5 HN LYS 5 -5.059 -3.370 0.771 36 HA LYS 5 HA LYS 5 -3.639 -3.196 3.410 37 1HB LYS 5 HB2 LYS 5 -4.432 -5.532 1.692 38 2HB LYS 5 HB1 LYS 5 -3.003 -5.656 2.719 39 1HG LYS 5 HG2 LYS 5 -4.236 -5.420 4.693 40 2HG LYS 5 HG1 LYS 5 -5.587 -4.639 3.871 41 1HD LYS 5 HD2 LYS 5 -6.400 -6.662 3.007 42 2HD LYS 5 HD1 LYS 5 -4.847 -7.476 3.196 43 1HE LYS 5 HE2 LYS 5 -6.225 -6.457 5.662 44 2HE LYS 5 HE1 LYS 5 -6.800 -7.964 4.919 45 1HZ LYS 5 HZ1 LYS 5 -4.957 -8.295 6.532 46 2HZ LYS 5 HZ2 LYS 5 -3.947 -7.386 5.513 47 3HZ LYS 5 HZ3 LYS 5 -4.602 -8.858 4.972 48 H LEU 6 HN LEU 6 -1.629 -2.343 3.106 49 HA LEU 6 HA LEU 6 -0.354 -2.531 0.408 50 1HB LEU 6 HB2 LEU 6 -0.900 -0.386 1.903 51 2HB LEU 6 HB1 LEU 6 0.612 -0.822 2.676 52 HG LEU 6 HG LEU 6 0.125 0.413 0.036 53 1HD1 LEU 6 HD11 LEU 6 2.200 0.373 2.186 54 2HD1 LEU 6 HD12 LEU 6 1.388 1.743 1.428 55 3HD1 LEU 6 HD13 LEU 6 2.685 0.907 0.577 56 1HD2 LEU 6 HD21 LEU 6 2.076 -1.894 0.287 57 2HD2 LEU 6 HD22 LEU 6 2.307 -0.599 -0.889 58 3HD2 LEU 6 HD23 LEU 6 0.871 -1.620 -0.971 59 H ILE 7 HN ILE 7 1.024 -4.329 0.363 60 HA ILE 7 HA ILE 7 2.215 -5.527 2.681 61 HB ILE 7 HB ILE 7 1.799 -6.307 0.167 62 1HG1 ILE 7 HG12 ILE 7 3.750 -7.992 0.558 63 2HG1 ILE 7 HG11 ILE 7 3.922 -7.161 2.103 64 1HG2 ILE 7 HG21 ILE 7 3.521 -6.090 -1.346 65 2HG2 ILE 7 HG22 ILE 7 4.749 -5.938 -0.092 66 3HG2 ILE 7 HG23 ILE 7 3.714 -4.566 -0.483 67 1HD1 ILE 7 HD11 ILE 7 1.248 -8.177 1.139 68 2HD1 ILE 7 HD12 ILE 7 1.719 -7.728 2.778 69 3HD1 ILE 7 HD13 ILE 7 2.355 -9.203 2.051 70 H ILE 8 HN ILE 8 4.688 -5.583 3.033 71 HA ILE 8 HA ILE 8 5.903 -2.916 2.399 72 HB ILE 8 HB ILE 8 5.958 -4.446 5.023 73 1HG1 ILE 8 HG12 ILE 8 4.599 -1.820 4.337 74 2HG1 ILE 8 HG11 ILE 8 3.759 -3.369 4.425 75 1HG2 ILE 8 HG21 ILE 8 7.972 -2.968 4.332 76 2HG2 ILE 8 HG22 ILE 8 7.239 -2.668 5.907 77 3HG2 ILE 8 HG23 ILE 8 6.869 -1.610 4.546 78 1HD1 ILE 8 HD11 ILE 8 4.542 -3.618 6.781 79 2HD1 ILE 8 HD12 ILE 8 3.514 -2.203 6.555 80 3HD1 ILE 8 HD13 ILE 8 5.263 -2.012 6.681 81 H ASN 9 HN ASN 9 6.873 -4.437 0.649 82 HA ASN 9 HA ASN 9 9.041 -6.183 1.711 83 1HB ASN 9 HB2 ASN 9 7.550 -5.811 -0.856 84 2HB ASN 9 HB1 ASN 9 9.178 -6.479 -0.945 85 1HD2 ASN 9 HD21 ASN 9 6.607 -7.911 -1.458 86 2HD2 ASN 9 HD22 ASN 9 6.563 -9.195 -0.348 87 H GLY 10 HN GLY 10 9.505 -3.545 2.283 88 1HA GLY 10 HA2 GLY 10 11.425 -2.606 0.194 89 2HA GLY 10 HA1 GLY 10 10.661 -1.558 1.392 90 H LYS 11 HN LYS 11 13.444 -1.608 1.068 91 HA LYS 11 HA LYS 11 14.676 -3.355 3.058 92 1HB LYS 11 HB2 LYS 11 16.679 -2.003 2.490 93 2HB LYS 11 HB1 LYS 11 15.839 -2.552 1.042 94 1HG LYS 11 HG2 LYS 11 14.959 -0.416 0.589 95 2HG LYS 11 HG1 LYS 11 15.212 0.142 2.242 96 1HD LYS 11 HD2 LYS 11 17.691 -0.060 1.854 97 2HD LYS 11 HD1 LYS 11 17.342 -0.402 0.159 98 1HE LYS 11 HE2 LYS 11 15.855 1.856 0.506 99 2HE LYS 11 HE1 LYS 11 17.200 2.173 1.620 100 1HZ LYS 11 HZ1 LYS 11 18.769 1.734 -0.085 101 2HZ LYS 11 HZ2 LYS 11 17.637 2.816 -0.744 102 3HZ LYS 11 HZ3 LYS 11 17.574 1.167 -1.147 103 H THR 12 HN THR 12 12.713 -0.637 3.407 104 HA THR 12 HA THR 12 14.173 0.323 5.834 105 HB THR 12 HB THR 12 11.853 1.568 4.331 106 HG1 THR 12 HG1 THR 12 13.316 1.801 2.842 107 1HG2 THR 12 HG21 THR 12 13.951 2.812 6.123 108 2HG2 THR 12 HG22 THR 12 12.345 2.335 6.676 109 3HG2 THR 12 HG23 THR 12 12.519 3.598 5.457 110 H LEU 13 HN LEU 13 11.179 -1.144 4.691 111 HA LEU 13 HA LEU 13 10.329 -1.470 7.549 112 1HB LEU 13 HB2 LEU 13 8.638 -0.684 5.153 113 2HB LEU 13 HB1 LEU 13 8.008 -1.011 6.768 114 HG LEU 13 HG LEU 13 9.967 0.801 7.349 115 1HD1 LEU 13 HD11 LEU 13 10.324 2.335 5.680 116 2HD1 LEU 13 HD12 LEU 13 8.722 2.102 4.980 117 3HD1 LEU 13 HD13 LEU 13 10.004 0.936 4.656 118 1HD2 LEU 13 HD21 LEU 13 7.155 1.542 6.482 119 2HD2 LEU 13 HD22 LEU 13 8.163 2.394 7.652 120 3HD2 LEU 13 HD23 LEU 13 7.539 0.788 8.029 121 H LYS 14 HN LYS 14 8.742 -3.301 7.781 122 HA LYS 14 HA LYS 14 8.653 -5.271 5.576 123 1HB LYS 14 HB2 LYS 14 10.791 -5.262 7.289 124 2HB LYS 14 HB1 LYS 14 9.695 -6.365 8.120 125 1HG LYS 14 HG2 LYS 14 9.857 -7.964 6.498 126 2HG LYS 14 HG1 LYS 14 9.934 -6.779 5.195 127 1HD LYS 14 HD2 LYS 14 12.236 -7.122 7.111 128 2HD LYS 14 HD1 LYS 14 12.070 -8.162 5.696 129 1HE LYS 14 HE2 LYS 14 11.965 -6.117 4.252 130 2HE LYS 14 HE1 LYS 14 12.286 -5.131 5.693 131 1HZ LYS 14 HZ1 LYS 14 14.324 -6.248 6.059 132 2HZ LYS 14 HZ2 LYS 14 14.314 -5.819 4.416 133 3HZ LYS 14 HZ3 LYS 14 13.988 -7.421 4.881 134 H GLY 15 HN GLY 15 6.643 -6.203 5.663 135 1HA GLY 15 HA2 GLY 15 5.232 -7.609 7.330 136 2HA GLY 15 HA1 GLY 15 5.162 -6.105 8.248 137 H GLU 16 HN GLU 16 2.995 -5.601 8.026 138 HA GLU 16 HA GLU 16 2.085 -4.872 5.281 139 1HB GLU 16 HB2 GLU 16 0.690 -6.705 7.257 140 2HB GLU 16 HB1 GLU 16 -0.076 -6.062 5.804 141 1HG GLU 16 HG2 GLU 16 2.081 -7.042 4.621 142 2HG GLU 16 HG1 GLU 16 2.128 -8.077 6.050 143 H THR 17 HN THR 17 -0.080 -3.646 5.478 144 HA THR 17 HA THR 17 -0.570 -2.333 8.080 145 HB THR 17 HB THR 17 1.329 -1.097 7.125 146 HG1 THR 17 HG1 THR 17 0.281 0.950 6.988 147 1HG2 THR 17 HG21 THR 17 1.207 -1.537 4.801 148 2HG2 THR 17 HG22 THR 17 0.844 0.183 4.943 149 3HG2 THR 17 HG23 THR 17 -0.462 -0.976 4.698 150 H THR 18 HN THR 18 -2.566 -1.044 8.015 151 HA THR 18 HA THR 18 -4.233 -1.387 5.557 152 HB THR 18 HB THR 18 -6.081 -2.095 7.184 153 HG1 THR 18 HG1 THR 18 -5.250 -2.958 9.150 154 1HG2 THR 18 HG21 THR 18 -5.210 -4.430 7.332 155 2HG2 THR 18 HG22 THR 18 -3.624 -3.835 6.843 156 3HG2 THR 18 HG23 THR 18 -4.990 -3.718 5.734 157 H THR 19 HN THR 19 -5.859 0.222 5.334 158 HA THR 19 HA THR 19 -6.099 2.295 7.455 159 HB THR 19 HB THR 19 -4.224 2.961 5.999 160 HG1 THR 19 HG1 THR 19 -5.468 4.642 6.712 161 1HG2 THR 19 HG21 THR 19 -5.983 3.325 3.635 162 2HG2 THR 19 HG22 THR 19 -5.508 1.667 4.000 163 3HG2 THR 19 HG23 THR 19 -4.275 2.894 3.712 164 H GLU 20 HN GLU 20 -7.958 3.765 6.998 165 HA GLU 20 HA GLU 20 -10.185 2.294 5.731 166 1HB GLU 20 HB2 GLU 20 -9.842 4.759 7.442 167 2HB GLU 20 HB1 GLU 20 -11.401 4.369 6.714 168 1HG GLU 20 HG2 GLU 20 -11.430 2.202 7.826 169 2HG GLU 20 HG1 GLU 20 -9.809 2.474 8.466 170 H ALA 21 HN ALA 21 -10.223 2.534 3.506 171 HA ALA 21 HA ALA 21 -10.127 5.332 2.425 172 1HB ALA 21 HB1 ALA 21 -8.633 4.648 0.785 173 2HB ALA 21 HB2 ALA 21 -9.210 2.982 0.812 174 3HB ALA 21 HB3 ALA 21 -8.149 3.568 2.094 175 H VAL 22 HN VAL 22 -11.784 5.810 0.992 176 HA VAL 22 HA VAL 22 -14.129 4.192 0.856 177 HB VAL 22 HB VAL 22 -14.034 6.639 0.539 178 1HG1 VAL 22 HG11 VAL 22 -11.846 6.277 -0.944 179 2HG1 VAL 22 HG12 VAL 22 -12.882 7.686 -1.166 180 3HG1 VAL 22 HG13 VAL 22 -13.025 6.306 -2.254 181 1HG2 VAL 22 HG21 VAL 22 -15.760 5.006 -0.643 182 2HG2 VAL 22 HG22 VAL 22 -14.989 5.611 -2.109 183 3HG2 VAL 22 HG23 VAL 22 -15.772 6.734 -0.997 184 H ASP 23 HN ASP 23 -11.298 4.382 -1.251 185 HA ASP 23 HA ASP 23 -11.865 1.811 -2.465 186 1HB ASP 23 HB2 ASP 23 -12.246 2.753 -4.777 187 2HB ASP 23 HB1 ASP 23 -13.554 3.089 -3.646 188 H ALA 24 HN ALA 24 -10.323 1.629 -4.546 189 HA ALA 24 HA ALA 24 -7.651 1.901 -3.702 190 1HB ALA 24 HB1 ALA 24 -8.458 0.377 -5.457 191 2HB ALA 24 HB2 ALA 24 -7.148 1.382 -6.078 192 3HB ALA 24 HB3 ALA 24 -8.821 1.756 -6.496 193 H ALA 25 HN ALA 25 -9.695 4.151 -5.493 194 HA ALA 25 HA ALA 25 -7.702 5.933 -6.487 195 1HB ALA 25 HB1 ALA 25 -10.588 5.839 -6.037 196 2HB ALA 25 HB2 ALA 25 -9.689 6.615 -7.339 197 3HB ALA 25 HB3 ALA 25 -9.946 7.466 -5.817 198 H THR 26 HN THR 26 -9.079 5.551 -3.270 199 HA THR 26 HA THR 26 -7.577 7.960 -2.315 200 HB THR 26 HB THR 26 -9.708 6.336 -0.900 201 HG1 THR 26 HG1 THR 26 -10.692 7.067 -2.708 202 1HG2 THR 26 HG21 THR 26 -8.988 9.252 -0.587 203 2HG2 THR 26 HG22 THR 26 -8.199 7.983 0.350 204 3HG2 THR 26 HG23 THR 26 -9.937 8.243 0.505 205 H ALA 27 HN ALA 27 -7.899 4.472 -1.973 206 HA ALA 27 HA ALA 27 -6.479 4.062 0.465 207 1HB ALA 27 HB1 ALA 27 -6.177 2.206 -1.871 208 2HB ALA 27 HB2 ALA 27 -7.798 2.503 -1.242 209 3HB ALA 27 HB3 ALA 27 -6.553 1.830 -0.189 210 H GLU 28 HN GLU 28 -5.227 3.893 -2.893 211 HA GLU 28 HA GLU 28 -2.464 3.605 -2.225 212 1HB GLU 28 HB2 GLU 28 -3.679 3.295 -4.454 213 2HB GLU 28 HB1 GLU 28 -3.619 5.050 -4.626 214 1HG GLU 28 HG2 GLU 28 -1.213 5.053 -4.588 215 2HG GLU 28 HG1 GLU 28 -1.163 3.350 -4.131 216 H LYS 29 HN LYS 29 -4.515 6.481 -2.483 217 HA LYS 29 HA LYS 29 -2.514 8.498 -2.586 218 1HB LYS 29 HB2 LYS 29 -5.059 8.646 -2.801 219 2HB LYS 29 HB1 LYS 29 -5.113 8.631 -1.038 220 1HG LYS 29 HG2 LYS 29 -4.189 10.731 -0.851 221 2HG LYS 29 HG1 LYS 29 -3.240 10.558 -2.329 222 1HD LYS 29 HD2 LYS 29 -6.204 10.584 -2.628 223 2HD LYS 29 HD1 LYS 29 -5.428 12.114 -2.213 224 1HE LYS 29 HE2 LYS 29 -3.888 11.842 -4.151 225 2HE LYS 29 HE1 LYS 29 -4.739 10.347 -4.590 226 1HZ LYS 29 HZ1 LYS 29 -5.737 12.152 -5.781 227 2HZ LYS 29 HZ2 LYS 29 -5.915 13.067 -4.360 228 3HZ LYS 29 HZ3 LYS 29 -6.826 11.650 -4.581 229 H VAL 30 HN VAL 30 -3.924 6.804 0.217 230 HA VAL 30 HA VAL 30 -2.313 8.319 2.152 231 HB VAL 30 HB VAL 30 -4.059 5.839 2.361 232 1HG1 VAL 30 HG11 VAL 30 -2.653 5.856 4.285 233 2HG1 VAL 30 HG12 VAL 30 -4.162 6.607 4.808 234 3HG1 VAL 30 HG13 VAL 30 -2.760 7.611 4.439 235 1HG2 VAL 30 HG21 VAL 30 -4.667 8.726 3.068 236 2HG2 VAL 30 HG22 VAL 30 -5.787 7.365 3.130 237 3HG2 VAL 30 HG23 VAL 30 -5.188 7.943 1.576 238 H PHE 31 HN PHE 31 -2.367 4.988 0.854 239 HA PHE 31 HA PHE 31 -0.119 4.023 2.362 240 1HB PHE 31 HB2 PHE 31 -1.602 3.236 -0.134 241 2HB PHE 31 HB1 PHE 31 -0.130 2.374 0.305 242 HD1 PHE 31 HD1 PHE 31 -0.200 2.227 3.208 243 HD2 PHE 31 HD2 PHE 31 -3.429 1.885 0.395 244 HE1 PHE 31 HE1 PHE 31 -1.482 0.877 4.844 245 HE2 PHE 31 HE2 PHE 31 -4.709 0.537 2.034 246 HZ PHE 31 HZ PHE 31 -3.737 0.034 4.257 247 H LYS 32 HN LYS 32 -0.386 5.586 -0.825 248 HA LYS 32 HA LYS 32 2.322 5.212 -1.670 249 1HB LYS 32 HB2 LYS 32 0.424 5.970 -3.091 250 2HB LYS 32 HB1 LYS 32 0.386 7.498 -2.210 251 1HG LYS 32 HG2 LYS 32 1.762 8.170 -3.916 252 2HG LYS 32 HG1 LYS 32 3.001 7.441 -2.895 253 1HD LYS 32 HD2 LYS 32 2.559 5.256 -4.126 254 2HD LYS 32 HD1 LYS 32 1.599 6.196 -5.269 255 1HE LYS 32 HE2 LYS 32 3.453 7.272 -6.151 256 2HE LYS 32 HE1 LYS 32 4.363 7.167 -4.631 257 1HZ LYS 32 HZ1 LYS 32 5.120 5.576 -6.375 258 2HZ LYS 32 HZ2 LYS 32 3.609 4.808 -6.269 259 3HZ LYS 32 HZ3 LYS 32 4.647 4.836 -4.925 260 H GLN 33 HN GLN 33 0.755 7.884 0.121 261 HA GLN 33 HA GLN 33 3.085 9.511 0.454 262 1HB GLN 33 HB2 GLN 33 0.728 10.219 0.820 263 2HB GLN 33 HB1 GLN 33 0.647 9.158 2.226 264 1HG GLN 33 HG2 GLN 33 1.097 11.481 2.916 265 2HG GLN 33 HG1 GLN 33 2.464 10.439 3.303 266 1HE2 GLN 33 HE21 GLN 33 1.574 11.863 0.116 267 2HE2 GLN 33 HE22 GLN 33 3.023 12.725 -0.070 268 H TYR 34 HN TYR 34 1.791 6.806 2.225 269 HA TYR 34 HA TYR 34 3.506 6.925 4.537 270 1HB TYR 34 HB2 TYR 34 1.615 5.585 4.797 271 2HB TYR 34 HB1 TYR 34 1.693 4.975 3.149 272 HD1 TYR 34 HD1 TYR 34 2.855 2.948 2.633 273 HD2 TYR 34 HD2 TYR 34 3.163 4.693 6.538 274 HE1 TYR 34 HE1 TYR 34 3.952 0.883 3.456 275 HE2 TYR 34 HE2 TYR 34 4.262 2.628 7.377 276 HH TYR 34 HH TYR 34 5.624 0.373 5.473 277 H ALA 35 HN ALA 35 3.691 5.047 1.500 278 HA ALA 35 HA ALA 35 6.304 3.918 2.071 279 1HB ALA 35 HB1 ALA 35 5.111 2.637 0.568 280 2HB ALA 35 HB2 ALA 35 5.989 3.635 -0.591 281 3HB ALA 35 HB3 ALA 35 4.328 4.044 -0.159 282 H ASN 36 HN ASN 36 5.174 6.580 -0.037 283 HA ASN 36 HA ASN 36 7.628 7.310 -1.207 284 1HB ASN 36 HB2 ASN 36 5.207 8.113 -1.609 285 2HB ASN 36 HB1 ASN 36 5.511 9.270 -0.312 286 1HD2 ASN 36 HD21 ASN 36 7.195 8.102 -3.296 287 2HD2 ASN 36 HD22 ASN 36 7.725 9.644 -3.770 288 H ASP 37 HN ASP 37 6.237 8.290 1.917 289 HA ASP 37 HA ASP 37 8.382 10.149 2.577 290 1HB ASP 37 HB2 ASP 37 5.899 9.937 3.396 291 2HB ASP 37 HB1 ASP 37 6.563 8.781 4.551 292 H ASN 38 HN ASN 38 7.735 6.726 3.147 293 HA ASN 38 HA ASN 38 9.908 6.379 5.082 294 1HB ASN 38 HB2 ASN 38 7.835 4.755 3.684 295 2HB ASN 38 HB1 ASN 38 9.253 3.890 4.276 296 1HD2 ASN 38 HD21 ASN 38 6.251 5.303 5.226 297 2HD2 ASN 38 HD22 ASN 38 6.453 5.139 6.903 298 H GLY 39 HN GLY 39 9.384 5.687 1.627 299 1HA GLY 39 HA2 GLY 39 11.365 6.043 0.131 300 2HA GLY 39 HA1 GLY 39 12.330 5.228 1.363 301 H ILE 40 HN ILE 40 9.102 4.247 0.264 302 HA ILE 40 HA ILE 40 10.278 1.625 -0.557 303 HB ILE 40 HB ILE 40 7.469 2.513 0.183 304 1HG1 ILE 40 HG12 ILE 40 9.463 0.730 1.617 305 2HG1 ILE 40 HG11 ILE 40 9.148 2.415 2.030 306 1HG2 ILE 40 HG21 ILE 40 8.568 -0.068 -0.884 307 2HG2 ILE 40 HG22 ILE 40 7.009 0.693 -1.212 308 3HG2 ILE 40 HG23 ILE 40 7.284 -0.138 0.321 309 1HD1 ILE 40 HD11 ILE 40 7.129 1.939 2.999 310 2HD1 ILE 40 HD12 ILE 40 7.858 0.345 3.200 311 3HD1 ILE 40 HD13 ILE 40 6.764 0.652 1.850 312 H ASP 41 HN ASP 41 10.887 3.209 -2.538 313 HA ASP 41 HA ASP 41 8.690 3.559 -4.479 314 1HB ASP 41 HB2 ASP 41 10.836 5.014 -3.988 315 2HB ASP 41 HB1 ASP 41 11.633 3.848 -5.045 316 H GLY 42 HN GLY 42 8.648 0.949 -3.955 317 1HA GLY 42 HA2 GLY 42 10.494 -0.561 -5.668 318 2HA GLY 42 HA1 GLY 42 9.209 -1.233 -4.662 319 H GLU 43 HN GLU 43 8.109 -2.438 -6.133 320 HA GLU 43 HA GLU 43 7.054 -1.066 -8.538 321 1HB GLU 43 HB2 GLU 43 7.675 -3.979 -7.972 322 2HB GLU 43 HB1 GLU 43 6.937 -3.398 -9.466 323 1HG GLU 43 HG2 GLU 43 8.887 -2.089 -10.008 324 2HG GLU 43 HG1 GLU 43 9.602 -2.403 -8.426 325 H TRP 44 HN TRP 44 5.045 -0.383 -7.880 326 HA TRP 44 HA TRP 44 3.460 -1.792 -5.951 327 1HB TRP 44 HB2 TRP 44 3.014 0.522 -7.822 328 2HB TRP 44 HB1 TRP 44 1.759 -0.048 -6.714 329 HD1 TRP 44 HD1 TRP 44 5.425 1.152 -6.626 330 HE1 TRP 44 HE1 TRP 44 5.850 2.251 -4.330 331 HE3 TRP 44 HE3 TRP 44 0.919 0.287 -4.386 332 HZ2 TRP 44 HZ2 TRP 44 4.461 2.688 -1.879 333 HZ3 TRP 44 HZ3 TRP 44 0.498 1.054 -2.067 334 HH2 TRP 44 HH2 TRP 44 2.264 2.259 -0.811 335 H THR 45 HN THR 45 1.713 -3.058 -6.202 336 HA THR 45 HA THR 45 0.569 -3.597 -8.877 337 HB THR 45 HB THR 45 0.806 -6.131 -8.065 338 HG1 THR 45 HG1 THR 45 2.869 -6.366 -7.065 339 1HG2 THR 45 HG21 THR 45 1.663 -5.430 -10.180 340 2HG2 THR 45 HG22 THR 45 3.006 -6.206 -9.340 341 3HG2 THR 45 HG23 THR 45 2.915 -4.446 -9.422 342 H TYR 46 HN TYR 46 -1.615 -3.833 -8.626 343 HA TYR 46 HA TYR 46 -2.662 -4.010 -5.834 344 1HB TYR 46 HB2 TYR 46 -3.236 -1.997 -7.013 345 2HB TYR 46 HB1 TYR 46 -3.654 -2.885 -8.472 346 HD1 TYR 46 HD1 TYR 46 -5.863 -3.565 -8.867 347 HD2 TYR 46 HD2 TYR 46 -4.699 -2.399 -4.900 348 HE1 TYR 46 HE1 TYR 46 -8.231 -3.650 -8.145 349 HE2 TYR 46 HE2 TYR 46 -7.061 -2.482 -4.179 350 HH TYR 46 HH TYR 46 -9.362 -2.245 -5.397 351 H ASP 47 HN ASP 47 -3.231 -6.098 -5.343 352 HA ASP 47 HA ASP 47 -4.110 -7.999 -7.414 353 1HB ASP 47 HB2 ASP 47 -3.287 -7.979 -4.557 354 2HB ASP 47 HB1 ASP 47 -4.407 -9.259 -5.025 355 H ASP 48 HN ASP 48 -6.211 -7.800 -8.090 356 HA ASP 48 HA ASP 48 -8.315 -6.568 -6.534 357 1HB ASP 48 HB2 ASP 48 -8.105 -6.705 -9.042 358 2HB ASP 48 HB1 ASP 48 -8.501 -8.420 -8.929 359 H ALA 49 HN ALA 49 -7.085 -9.833 -6.731 360 HA ALA 49 HA ALA 49 -9.288 -11.415 -6.042 361 1HB ALA 49 HB1 ALA 49 -7.257 -12.568 -4.651 362 2HB ALA 49 HB2 ALA 49 -6.346 -11.469 -5.686 363 3HB ALA 49 HB3 ALA 49 -7.411 -12.677 -6.404 364 H THR 50 HN THR 50 -7.306 -9.350 -3.942 365 HA THR 50 HA THR 50 -9.387 -9.564 -1.826 366 HB THR 50 HB THR 50 -7.595 -10.081 -0.165 367 HG1 THR 50 HG1 THR 50 -5.703 -9.552 -0.940 368 1HG2 THR 50 HG21 THR 50 -8.962 -11.846 -1.436 369 2HG2 THR 50 HG22 THR 50 -7.470 -12.398 -0.674 370 3HG2 THR 50 HG23 THR 50 -7.515 -12.098 -2.412 371 H LYS 51 HN LYS 51 -7.971 -7.476 -3.732 372 HA LYS 51 HA LYS 51 -7.295 -5.216 -3.599 373 1HB LYS 51 HB2 LYS 51 -9.470 -5.806 -1.809 374 2HB LYS 51 HB1 LYS 51 -8.458 -4.570 -1.067 375 1HG LYS 51 HG2 LYS 51 -9.675 -3.144 -2.363 376 2HG LYS 51 HG1 LYS 51 -8.559 -3.653 -3.632 377 1HD LYS 51 HD2 LYS 51 -10.804 -3.903 -4.497 378 2HD LYS 51 HD1 LYS 51 -10.175 -5.520 -4.180 379 1HE LYS 51 HE2 LYS 51 -11.301 -5.045 -1.778 380 2HE LYS 51 HE1 LYS 51 -12.351 -4.032 -2.787 381 1HZ LYS 51 HZ1 LYS 51 -12.679 -5.880 -4.284 382 2HZ LYS 51 HZ2 LYS 51 -13.118 -6.347 -2.710 383 3HZ LYS 51 HZ3 LYS 51 -11.638 -6.858 -3.369 384 H THR 52 HN THR 52 -5.012 -5.491 -3.266 385 HA THR 52 HA THR 52 -4.074 -4.669 -0.595 386 HB THR 52 HB THR 52 -3.288 -7.321 -1.844 387 HG1 THR 52 HG1 THR 52 -4.446 -8.174 -0.088 388 1HG2 THR 52 HG21 THR 52 -1.760 -7.586 -0.147 389 2HG2 THR 52 HG22 THR 52 -2.683 -6.594 0.981 390 3HG2 THR 52 HG23 THR 52 -1.709 -5.828 -0.274 391 H PHE 53 HN PHE 53 -2.909 -2.917 -1.421 392 HA PHE 53 HA PHE 53 -1.452 -2.852 -3.888 393 1HB PHE 53 HB2 PHE 53 -1.094 -1.359 -1.264 394 2HB PHE 53 HB1 PHE 53 -0.352 -0.881 -2.791 395 HD1 PHE 53 HD1 PHE 53 -1.786 -0.205 -4.722 396 HD2 PHE 53 HD2 PHE 53 -3.406 -0.942 -0.816 397 HE1 PHE 53 HE1 PHE 53 -3.863 0.994 -5.360 398 HE2 PHE 53 HE2 PHE 53 -5.486 0.255 -1.450 399 HZ PHE 53 HZ PHE 53 -5.713 1.224 -3.724 400 H THR 54 HN THR 54 0.485 -3.834 -4.402 401 HA THR 54 HA THR 54 2.138 -4.872 -2.112 402 HB THR 54 HB THR 54 1.672 -5.977 -4.895 403 HG1 THR 54 HG1 THR 54 0.748 -6.736 -2.329 404 1HG2 THR 54 HG21 THR 54 3.253 -7.552 -4.499 405 2HG2 THR 54 HG22 THR 54 2.775 -7.731 -2.812 406 3HG2 THR 54 HG23 THR 54 3.863 -6.428 -3.286 407 H VAL 55 HN VAL 55 3.795 -3.288 -1.993 408 HA VAL 55 HA VAL 55 5.269 -2.671 -4.481 409 HB VAL 55 HB VAL 55 4.413 -0.773 -3.060 410 1HG1 VAL 55 HG11 VAL 55 6.534 -1.619 -1.101 411 2HG1 VAL 55 HG12 VAL 55 4.828 -2.017 -0.879 412 3HG1 VAL 55 HG13 VAL 55 5.341 -0.326 -0.911 413 1HG2 VAL 55 HG21 VAL 55 6.413 0.529 -3.215 414 2HG2 VAL 55 HG22 VAL 55 6.465 -0.639 -4.536 415 3HG2 VAL 55 HG23 VAL 55 7.426 -0.908 -3.082 416 H THR 56 HN THR 56 7.710 -2.571 -4.164 417 HA THR 56 HA THR 56 8.870 -4.221 -2.029 418 HB THR 56 HB THR 56 8.724 -5.088 -4.931 419 HG1 THR 56 HG1 THR 56 7.208 -6.392 -4.281 420 1HG2 THR 56 HG21 THR 56 10.424 -6.528 -4.561 421 2HG2 THR 56 HG22 THR 56 9.728 -7.052 -3.028 422 3HG2 THR 56 HG23 THR 56 10.759 -5.622 -3.085 423 H GLU 57 HN GLU 57 10.566 -2.818 -1.596 424 HA GLU 57 HA GLU 57 12.080 -1.642 -3.894 425 1HB GLU 57 HB2 GLU 57 10.943 -0.470 -1.731 426 2HB GLU 57 HB1 GLU 57 12.549 -0.801 -1.080 427 1HG GLU 57 HG2 GLU 57 12.077 0.584 -3.732 428 2HG GLU 57 HG1 GLU 57 12.329 1.447 -2.214 Start of MODEL 30 1 1H MET 1 HT1 MET 1 17.393 -1.705 5.263 2 2H MET 1 HT2 MET 1 15.935 -0.954 5.705 3 3H MET 1 HT3 MET 1 17.004 -0.176 4.638 4 HA MET 1 HA MET 1 16.654 -2.063 3.041 5 1HB MET 1 HB2 MET 1 15.033 -2.788 5.421 6 2HB MET 1 HB1 MET 1 14.273 -3.100 3.861 7 1HG MET 1 HG2 MET 1 17.110 -3.961 4.413 8 2HG MET 1 HG1 MET 1 15.741 -4.977 4.865 9 1HE MET 1 HE1 MET 1 16.843 -6.978 2.885 10 2HE MET 1 HE2 MET 1 15.271 -7.054 2.095 11 3HE MET 1 HE3 MET 1 15.366 -6.694 3.816 12 H THR 2 HN THR 2 14.206 -2.187 1.951 13 HA THR 2 HA THR 2 13.468 0.659 1.555 14 HB THR 2 HB THR 2 12.596 -1.892 0.157 15 HG1 THR 2 HG1 THR 2 14.687 -1.758 -0.288 16 1HG2 THR 2 HG21 THR 2 11.898 -0.414 -1.641 17 2HG2 THR 2 HG22 THR 2 12.508 0.992 -0.766 18 3HG2 THR 2 HG23 THR 2 11.117 0.102 -0.145 19 H THR 3 HN THR 3 11.915 1.391 2.968 20 HA THR 3 HA THR 3 9.762 -0.443 3.824 21 HB THR 3 HB THR 3 10.504 2.254 4.956 22 HG1 THR 3 HG1 THR 3 12.348 1.067 5.086 23 1HG2 THR 3 HG21 THR 3 9.293 1.593 6.848 24 2HG2 THR 3 HG22 THR 3 9.407 -0.119 6.441 25 3HG2 THR 3 HG23 THR 3 8.327 0.934 5.527 26 H PHE 4 HN PHE 4 8.286 -0.223 2.075 27 HA PHE 4 HA PHE 4 7.552 2.354 0.938 28 1HB PHE 4 HB2 PHE 4 6.346 -0.427 0.897 29 2HB PHE 4 HB1 PHE 4 5.718 0.908 -0.065 30 HD1 PHE 4 HD1 PHE 4 7.123 1.931 -1.849 31 HD2 PHE 4 HD2 PHE 4 8.384 -1.548 0.331 32 HE1 PHE 4 HE1 PHE 4 8.830 1.461 -3.586 33 HE2 PHE 4 HE2 PHE 4 10.092 -2.017 -1.402 34 HZ PHE 4 HZ PHE 4 10.314 -0.512 -3.363 35 H LYS 5 HN LYS 5 4.966 2.745 0.945 36 HA LYS 5 HA LYS 5 3.832 2.357 3.672 37 1HB LYS 5 HB2 LYS 5 5.188 4.440 3.659 38 2HB LYS 5 HB1 LYS 5 4.230 5.039 2.306 39 1HG LYS 5 HG2 LYS 5 2.188 4.580 3.871 40 2HG LYS 5 HG1 LYS 5 3.391 4.596 5.161 41 1HD LYS 5 HD2 LYS 5 3.545 6.821 3.195 42 2HD LYS 5 HD1 LYS 5 2.158 6.837 4.285 43 1HE LYS 5 HE2 LYS 5 3.806 6.510 6.207 44 2HE LYS 5 HE1 LYS 5 5.096 6.848 5.035 45 1HZ LYS 5 HZ1 LYS 5 2.728 8.596 5.417 46 2HZ LYS 5 HZ2 LYS 5 4.121 8.931 4.503 47 3HZ LYS 5 HZ3 LYS 5 4.210 8.858 6.198 48 H LEU 6 HN LEU 6 1.902 1.393 3.119 49 HA LEU 6 HA LEU 6 0.453 2.189 0.662 50 1HB LEU 6 HB2 LEU 6 0.932 -0.169 1.874 51 2HB LEU 6 HB1 LEU 6 -0.572 0.239 2.679 52 HG LEU 6 HG LEU 6 -0.078 -0.568 -0.143 53 1HD1 LEU 6 HD11 LEU 6 -2.658 -1.159 0.430 54 2HD1 LEU 6 HD12 LEU 6 -2.008 -1.039 2.065 55 3HD1 LEU 6 HD13 LEU 6 -1.301 -2.176 0.916 56 1HD2 LEU 6 HD21 LEU 6 -2.367 0.549 -0.742 57 2HD2 LEU 6 HD22 LEU 6 -0.911 1.542 -0.808 58 3HD2 LEU 6 HD23 LEU 6 -1.995 1.658 0.579 59 H ILE 7 HN ILE 7 -0.820 4.048 0.939 60 HA ILE 7 HA ILE 7 -1.873 4.918 3.472 61 HB ILE 7 HB ILE 7 -1.465 6.073 1.086 62 1HG1 ILE 7 HG12 ILE 7 -3.128 7.867 1.836 63 2HG1 ILE 7 HG11 ILE 7 -3.536 6.780 3.163 64 1HG2 ILE 7 HG21 ILE 7 -4.463 5.800 0.989 65 2HG2 ILE 7 HG22 ILE 7 -3.425 4.664 0.131 66 3HG2 ILE 7 HG23 ILE 7 -3.366 6.381 -0.263 67 1HD1 ILE 7 HD11 ILE 7 -1.166 6.737 3.857 68 2HD1 ILE 7 HD12 ILE 7 -1.794 8.385 3.849 69 3HD1 ILE 7 HD13 ILE 7 -0.761 7.829 2.533 70 H ILE 8 HN ILE 8 -4.388 5.097 3.796 71 HA ILE 8 HA ILE 8 -5.702 2.584 2.820 72 HB ILE 8 HB ILE 8 -5.731 3.760 5.621 73 1HG1 ILE 8 HG12 ILE 8 -4.463 1.188 4.630 74 2HG1 ILE 8 HG11 ILE 8 -3.563 2.683 4.888 75 1HG2 ILE 8 HG21 ILE 8 -7.071 1.913 6.253 76 2HG2 ILE 8 HG22 ILE 8 -6.740 1.052 4.750 77 3HG2 ILE 8 HG23 ILE 8 -7.788 2.471 4.741 78 1HD1 ILE 8 HD11 ILE 8 -3.714 2.542 7.176 79 2HD1 ILE 8 HD12 ILE 8 -3.834 0.821 6.812 80 3HD1 ILE 8 HD13 ILE 8 -5.293 1.760 7.128 81 H ASN 9 HN ASN 9 -6.633 4.303 1.274 82 HA ASN 9 HA ASN 9 -8.711 6.025 2.534 83 1HB ASN 9 HB2 ASN 9 -7.029 6.055 0.167 84 2HB ASN 9 HB1 ASN 9 -8.719 6.239 -0.295 85 1HD2 ASN 9 HD21 ASN 9 -6.477 8.297 -0.221 86 2HD2 ASN 9 HD22 ASN 9 -7.079 9.553 0.749 87 H GLY 10 HN GLY 10 -9.221 3.332 2.833 88 1HA GLY 10 HA2 GLY 10 -11.238 2.678 0.730 89 2HA GLY 10 HA1 GLY 10 -10.484 1.494 1.803 90 H LYS 11 HN LYS 11 -13.277 1.707 1.533 91 HA LYS 11 HA LYS 11 -14.376 3.250 3.765 92 1HB LYS 11 HB2 LYS 11 -15.462 1.104 1.915 93 2HB LYS 11 HB1 LYS 11 -16.450 1.999 3.071 94 1HG LYS 11 HG2 LYS 11 -15.749 4.125 1.982 95 2HG LYS 11 HG1 LYS 11 -14.851 3.189 0.786 96 1HD LYS 11 HD2 LYS 11 -16.754 2.454 -0.275 97 2HD LYS 11 HD1 LYS 11 -17.707 2.453 1.210 98 1HE LYS 11 HE2 LYS 11 -18.058 4.808 1.118 99 2HE LYS 11 HE1 LYS 11 -16.777 5.027 -0.092 100 1HZ LYS 11 HZ1 LYS 11 -19.068 4.965 -1.041 101 2HZ LYS 11 HZ2 LYS 11 -19.188 3.350 -0.529 102 3HZ LYS 11 HZ3 LYS 11 -18.022 3.794 -1.681 103 H THR 12 HN THR 12 -12.546 0.430 3.700 104 HA THR 12 HA THR 12 -14.041 -0.847 5.947 105 HB THR 12 HB THR 12 -11.668 -1.890 4.381 106 HG1 THR 12 HG1 THR 12 -14.428 -2.225 3.826 107 1HG2 THR 12 HG21 THR 12 -12.395 -4.036 5.136 108 2HG2 THR 12 HG22 THR 12 -13.934 -3.389 5.706 109 3HG2 THR 12 HG23 THR 12 -12.440 -2.983 6.551 110 H LEU 13 HN LEU 13 -10.978 0.678 5.056 111 HA LEU 13 HA LEU 13 -10.226 0.706 7.957 112 1HB LEU 13 HB2 LEU 13 -8.637 -0.216 5.555 113 2HB LEU 13 HB1 LEU 13 -7.847 0.263 7.058 114 HG LEU 13 HG LEU 13 -10.064 -1.791 6.975 115 1HD1 LEU 13 HD11 LEU 13 -8.191 -3.467 7.177 116 2HD1 LEU 13 HD12 LEU 13 -7.063 -2.172 6.778 117 3HD1 LEU 13 HD13 LEU 13 -8.278 -2.677 5.603 118 1HD2 LEU 13 HD21 LEU 13 -9.651 -0.786 9.158 119 2HD2 LEU 13 HD22 LEU 13 -7.917 -1.057 8.991 120 3HD2 LEU 13 HD23 LEU 13 -9.011 -2.430 9.160 121 H LYS 14 HN LYS 14 -8.499 2.385 8.371 122 HA LYS 14 HA LYS 14 -8.187 4.494 6.320 123 1HB LYS 14 HB2 LYS 14 -9.986 4.589 8.697 124 2HB LYS 14 HB1 LYS 14 -9.081 6.056 8.320 125 1HG LYS 14 HG2 LYS 14 -9.909 5.686 5.888 126 2HG LYS 14 HG1 LYS 14 -11.094 4.599 6.613 127 1HD LYS 14 HD2 LYS 14 -11.972 6.376 8.000 128 2HD LYS 14 HD1 LYS 14 -10.684 7.470 7.493 129 1HE LYS 14 HE2 LYS 14 -12.714 7.993 6.223 130 2HE LYS 14 HE1 LYS 14 -11.535 7.253 5.122 131 1HZ LYS 14 HZ1 LYS 14 -13.558 5.689 6.625 132 2HZ LYS 14 HZ2 LYS 14 -12.562 5.150 5.358 133 3HZ LYS 14 HZ3 LYS 14 -13.818 6.250 5.046 134 H GLY 15 HN GLY 15 -6.190 5.439 6.582 135 1HA GLY 15 HA2 GLY 15 -4.774 6.501 8.512 136 2HA GLY 15 HA1 GLY 15 -4.692 4.833 9.079 137 H GLU 16 HN GLU 16 -2.438 4.624 8.755 138 HA GLU 16 HA GLU 16 -1.631 4.293 5.905 139 1HB GLU 16 HB2 GLU 16 0.427 5.612 6.373 140 2HB GLU 16 HB1 GLU 16 -1.030 6.582 6.578 141 1HG GLU 16 HG2 GLU 16 -0.908 5.915 9.068 142 2HG GLU 16 HG1 GLU 16 0.739 5.391 8.717 143 H THR 17 HN THR 17 -0.739 2.285 5.752 144 HA THR 17 HA THR 17 0.534 1.083 8.184 145 HB THR 17 HB THR 17 -0.611 -0.185 5.674 146 HG1 THR 17 HG1 THR 17 -2.341 -0.695 7.056 147 1HG2 THR 17 HG21 THR 17 -0.359 -2.276 6.791 148 2HG2 THR 17 HG22 THR 17 0.026 -1.491 8.323 149 3HG2 THR 17 HG23 THR 17 1.181 -1.440 6.992 150 H THR 18 HN THR 18 2.585 0.058 7.943 151 HA THR 18 HA THR 18 4.012 0.541 5.349 152 HB THR 18 HB THR 18 5.962 1.218 6.749 153 HG1 THR 18 HG1 THR 18 5.799 1.255 8.894 154 1HG2 THR 18 HG21 THR 18 3.896 2.751 6.008 155 2HG2 THR 18 HG22 THR 18 5.235 3.390 6.961 156 3HG2 THR 18 HG23 THR 18 3.733 2.921 7.756 157 H THR 19 HN THR 19 5.935 -0.896 5.105 158 HA THR 19 HA THR 19 5.922 -3.328 6.834 159 HB THR 19 HB THR 19 4.386 -3.729 4.954 160 HG1 THR 19 HG1 THR 19 5.353 -5.582 5.297 161 1HG2 THR 19 HG21 THR 19 5.025 -3.488 2.674 162 2HG2 THR 19 HG22 THR 19 6.726 -3.287 3.094 163 3HG2 THR 19 HG23 THR 19 5.570 -2.008 3.465 164 H GLU 20 HN GLU 20 7.770 -4.854 5.632 165 HA GLU 20 HA GLU 20 10.155 -3.072 5.240 166 1HB GLU 20 HB2 GLU 20 9.719 -4.496 7.429 167 2HB GLU 20 HB1 GLU 20 10.303 -5.826 6.428 168 1HG GLU 20 HG2 GLU 20 12.330 -4.435 5.887 169 2HG GLU 20 HG1 GLU 20 11.768 -3.253 7.071 170 H ALA 21 HN ALA 21 9.950 -3.276 2.907 171 HA ALA 21 HA ALA 21 10.464 -6.034 1.842 172 1HB ALA 21 HB1 ALA 21 9.491 -3.786 0.132 173 2HB ALA 21 HB2 ALA 21 8.364 -4.438 1.323 174 3HB ALA 21 HB3 ALA 21 9.054 -5.494 0.090 175 H VAL 22 HN VAL 22 11.548 -5.644 -0.517 176 HA VAL 22 HA VAL 22 13.992 -4.008 0.007 177 HB VAL 22 HB VAL 22 14.261 -6.435 -0.321 178 1HG1 VAL 22 HG11 VAL 22 12.389 -7.065 -1.633 179 2HG1 VAL 22 HG12 VAL 22 13.773 -7.291 -2.703 180 3HG1 VAL 22 HG13 VAL 22 12.751 -5.865 -2.874 181 1HG2 VAL 22 HG21 VAL 22 15.925 -4.724 -1.262 182 2HG2 VAL 22 HG22 VAL 22 15.206 -5.052 -2.839 183 3HG2 VAL 22 HG23 VAL 22 16.003 -6.348 -1.947 184 H ASP 23 HN ASP 23 11.267 -4.382 -2.166 185 HA ASP 23 HA ASP 23 11.808 -1.817 -3.440 186 1HB ASP 23 HB2 ASP 23 13.297 -3.808 -4.429 187 2HB ASP 23 HB1 ASP 23 11.825 -4.114 -5.351 188 H ALA 24 HN ALA 24 10.156 -1.569 -5.360 189 HA ALA 24 HA ALA 24 7.522 -1.943 -4.420 190 1HB ALA 24 HB1 ALA 24 8.856 -1.244 -6.997 191 2HB ALA 24 HB2 ALA 24 7.729 -0.294 -6.029 192 3HB ALA 24 HB3 ALA 24 7.131 -1.605 -7.045 193 H ALA 25 HN ALA 25 9.591 -4.102 -6.244 194 HA ALA 25 HA ALA 25 7.662 -5.821 -7.440 195 1HB ALA 25 HB1 ALA 25 10.483 -6.100 -6.422 196 2HB ALA 25 HB2 ALA 25 9.907 -6.084 -8.089 197 3HB ALA 25 HB3 ALA 25 9.639 -7.503 -7.077 198 H THR 26 HN THR 26 8.782 -5.576 -4.112 199 HA THR 26 HA THR 26 7.188 -8.006 -3.382 200 HB THR 26 HB THR 26 9.192 -6.515 -1.679 201 HG1 THR 26 HG1 THR 26 10.728 -7.975 -2.538 202 1HG2 THR 26 HG21 THR 26 9.177 -8.396 -0.347 203 2HG2 THR 26 HG22 THR 26 8.804 -9.474 -1.692 204 3HG2 THR 26 HG23 THR 26 7.532 -8.484 -0.976 205 H ALA 27 HN ALA 27 7.526 -4.546 -2.867 206 HA ALA 27 HA ALA 27 5.943 -4.241 -0.507 207 1HB ALA 27 HB1 ALA 27 7.440 -2.625 -1.982 208 2HB ALA 27 HB2 ALA 27 6.110 -1.972 -1.024 209 3HB ALA 27 HB3 ALA 27 5.899 -2.250 -2.752 210 H GLU 28 HN GLU 28 4.904 -3.569 -3.876 211 HA GLU 28 HA GLU 28 2.112 -3.391 -3.347 212 1HB GLU 28 HB2 GLU 28 3.643 -2.878 -5.439 213 2HB GLU 28 HB1 GLU 28 3.207 -4.520 -5.911 214 1HG GLU 28 HG2 GLU 28 0.763 -3.745 -5.376 215 2HG GLU 28 HG1 GLU 28 1.429 -2.122 -5.560 216 H LYS 29 HN LYS 29 4.091 -6.222 -4.274 217 HA LYS 29 HA LYS 29 2.030 -8.133 -4.626 218 1HB LYS 29 HB2 LYS 29 4.548 -8.293 -5.018 219 2HB LYS 29 HB1 LYS 29 4.705 -8.620 -3.292 220 1HG LYS 29 HG2 LYS 29 2.989 -10.488 -3.639 221 2HG LYS 29 HG1 LYS 29 3.251 -10.265 -5.369 222 1HD LYS 29 HD2 LYS 29 5.820 -10.407 -4.558 223 2HD LYS 29 HD1 LYS 29 5.070 -11.403 -3.311 224 1HE LYS 29 HE2 LYS 29 4.247 -11.896 -6.147 225 2HE LYS 29 HE1 LYS 29 5.838 -12.484 -5.626 226 1HZ LYS 29 HZ1 LYS 29 4.724 -13.431 -3.644 227 2HZ LYS 29 HZ2 LYS 29 4.221 -14.149 -5.099 228 3HZ LYS 29 HZ3 LYS 29 3.224 -13.017 -4.318 229 H VAL 30 HN VAL 30 3.685 -7.119 -1.636 230 HA VAL 30 HA VAL 30 2.119 -8.923 0.067 231 HB VAL 30 HB VAL 30 4.010 -6.600 0.591 232 1HG1 VAL 30 HG11 VAL 30 4.183 -7.723 2.886 233 2HG1 VAL 30 HG12 VAL 30 2.708 -8.591 2.462 234 3HG1 VAL 30 HG13 VAL 30 2.694 -6.830 2.572 235 1HG2 VAL 30 HG21 VAL 30 4.700 -8.894 -0.545 236 2HG2 VAL 30 HG22 VAL 30 4.624 -9.486 1.114 237 3HG2 VAL 30 HG23 VAL 30 5.719 -8.168 0.697 238 H PHE 31 HN PHE 31 2.264 -5.379 -0.455 239 HA PHE 31 HA PHE 31 0.139 -4.691 1.324 240 1HB PHE 31 HB2 PHE 31 1.540 -3.464 -1.023 241 2HB PHE 31 HB1 PHE 31 0.070 -2.689 -0.438 242 HD1 PHE 31 HD1 PHE 31 0.142 -3.034 2.444 243 HD2 PHE 31 HD2 PHE 31 3.379 -2.237 -0.266 244 HE1 PHE 31 HE1 PHE 31 1.427 -1.988 4.287 245 HE2 PHE 31 HE2 PHE 31 4.662 -1.196 1.581 246 HZ PHE 31 HZ PHE 31 3.689 -1.071 3.856 247 H LYS 32 HN LYS 32 0.119 -5.741 -2.065 248 HA LYS 32 HA LYS 32 -2.620 -5.103 -2.648 249 1HB LYS 32 HB2 LYS 32 -0.574 -7.075 -3.673 250 2HB LYS 32 HB1 LYS 32 -2.219 -7.094 -4.306 251 1HG LYS 32 HG2 LYS 32 -0.914 -4.429 -4.149 252 2HG LYS 32 HG1 LYS 32 -0.268 -5.542 -5.356 253 1HD LYS 32 HD2 LYS 32 -2.385 -5.765 -6.431 254 2HD LYS 32 HD1 LYS 32 -3.231 -5.006 -5.083 255 1HE LYS 32 HE2 LYS 32 -2.428 -2.850 -5.633 256 2HE LYS 32 HE1 LYS 32 -1.117 -3.501 -6.637 257 1HZ LYS 32 HZ1 LYS 32 -2.797 -4.449 -8.119 258 2HZ LYS 32 HZ2 LYS 32 -2.938 -2.758 -8.031 259 3HZ LYS 32 HZ3 LYS 32 -4.029 -3.750 -7.187 260 H GLN 33 HN GLN 33 -1.046 -8.033 -1.349 261 HA GLN 33 HA GLN 33 -3.395 -9.649 -1.092 262 1HB GLN 33 HB2 GLN 33 -0.946 -10.320 -0.953 263 2HB GLN 33 HB1 GLN 33 -0.933 -9.636 0.673 264 1HG GLN 33 HG2 GLN 33 -1.378 -11.949 0.992 265 2HG GLN 33 HG1 GLN 33 -2.948 -11.162 1.150 266 1HE2 GLN 33 HE21 GLN 33 -4.558 -11.621 -0.445 267 2HE2 GLN 33 HE22 GLN 33 -4.318 -12.731 -1.706 268 H TYR 34 HN TYR 34 -1.938 -7.209 0.921 269 HA TYR 34 HA TYR 34 -3.525 -7.607 3.302 270 1HB TYR 34 HB2 TYR 34 -1.555 -6.384 3.610 271 2HB TYR 34 HB1 TYR 34 -1.735 -5.515 2.091 272 HD1 TYR 34 HD1 TYR 34 -2.909 -5.741 5.595 273 HD2 TYR 34 HD2 TYR 34 -2.902 -3.423 1.986 274 HE1 TYR 34 HE1 TYR 34 -3.875 -3.813 6.832 275 HE2 TYR 34 HE2 TYR 34 -3.866 -1.495 3.209 276 HH TYR 34 HH TYR 34 -5.424 -1.560 5.798 277 H ALA 35 HN ALA 35 -3.738 -5.137 0.715 278 HA ALA 35 HA ALA 35 -6.241 -4.015 1.494 279 1HB ALA 35 HB1 ALA 35 -5.246 -2.686 -0.074 280 2HB ALA 35 HB2 ALA 35 -6.101 -3.702 -1.236 281 3HB ALA 35 HB3 ALA 35 -4.420 -4.051 -0.830 282 H ASN 36 HN ASN 36 -5.484 -6.680 -0.757 283 HA ASN 36 HA ASN 36 -8.071 -7.153 -1.782 284 1HB ASN 36 HB2 ASN 36 -5.540 -8.670 -1.386 285 2HB ASN 36 HB1 ASN 36 -6.979 -9.617 -1.767 286 1HD2 ASN 36 HD21 ASN 36 -8.324 -8.546 -3.695 287 2HD2 ASN 36 HD22 ASN 36 -7.394 -8.010 -5.010 288 H ASP 37 HN ASP 37 -6.563 -8.275 1.230 289 HA ASP 37 HA ASP 37 -8.697 -10.086 1.989 290 1HB ASP 37 HB2 ASP 37 -6.227 -8.897 3.120 291 2HB ASP 37 HB1 ASP 37 -7.433 -9.390 4.309 292 H ASN 38 HN ASN 38 -7.913 -6.704 2.821 293 HA ASN 38 HA ASN 38 -10.214 -6.392 4.596 294 1HB ASN 38 HB2 ASN 38 -8.223 -4.507 3.299 295 2HB ASN 38 HB1 ASN 38 -9.445 -3.974 4.454 296 1HD2 ASN 38 HD21 ASN 38 -6.249 -4.913 4.297 297 2HD2 ASN 38 HD22 ASN 38 -6.051 -5.487 5.882 298 H GLY 39 HN GLY 39 -9.531 -5.836 1.188 299 1HA GLY 39 HA2 GLY 39 -11.320 -5.773 -0.459 300 2HA GLY 39 HA1 GLY 39 -12.395 -5.133 0.783 301 H ILE 40 HN ILE 40 -9.185 -4.160 -0.498 302 HA ILE 40 HA ILE 40 -10.277 -1.378 -0.745 303 HB ILE 40 HB ILE 40 -7.474 -2.412 -0.207 304 1HG1 ILE 40 HG12 ILE 40 -9.418 -0.864 1.537 305 2HG1 ILE 40 HG11 ILE 40 -9.106 -2.594 1.672 306 1HG2 ILE 40 HG21 ILE 40 -7.018 -0.405 -1.303 307 2HG2 ILE 40 HG22 ILE 40 -7.255 0.183 0.345 308 3HG2 ILE 40 HG23 ILE 40 -8.561 0.313 -0.832 309 1HD1 ILE 40 HD11 ILE 40 -7.766 -0.702 3.099 310 2HD1 ILE 40 HD12 ILE 40 -6.694 -0.875 1.708 311 3HD1 ILE 40 HD13 ILE 40 -7.091 -2.281 2.696 312 H ASP 41 HN ASP 41 -10.925 -2.732 -2.918 313 HA ASP 41 HA ASP 41 -8.775 -2.789 -4.933 314 1HB ASP 41 HB2 ASP 41 -11.640 -3.538 -4.646 315 2HB ASP 41 HB1 ASP 41 -11.127 -3.100 -6.276 316 H GLY 42 HN GLY 42 -8.598 -0.315 -4.097 317 1HA GLY 42 HA2 GLY 42 -10.476 1.479 -5.490 318 2HA GLY 42 HA1 GLY 42 -9.181 1.965 -4.395 319 H GLU 43 HN GLU 43 -8.087 3.391 -5.655 320 HA GLU 43 HA GLU 43 -7.060 2.430 -8.262 321 1HB GLU 43 HB2 GLU 43 -6.893 4.895 -8.788 322 2HB GLU 43 HB1 GLU 43 -8.540 4.335 -8.515 323 1HG GLU 43 HG2 GLU 43 -7.308 5.158 -6.009 324 2HG GLU 43 HG1 GLU 43 -7.235 6.456 -7.197 325 H TRP 44 HN TRP 44 -5.081 1.603 -7.740 326 HA TRP 44 HA TRP 44 -3.420 2.645 -5.651 327 1HB TRP 44 HB2 TRP 44 -3.081 0.655 -7.882 328 2HB TRP 44 HB1 TRP 44 -1.788 0.999 -6.727 329 HD1 TRP 44 HD1 TRP 44 -5.477 -0.123 -6.767 330 HE1 TRP 44 HE1 TRP 44 -5.902 -1.550 -4.659 331 HE3 TRP 44 HE3 TRP 44 -0.934 0.310 -4.478 332 HZ2 TRP 44 HZ2 TRP 44 -4.499 -2.377 -2.315 333 HZ3 TRP 44 HZ3 TRP 44 -0.506 -0.807 -2.309 334 HH2 TRP 44 HH2 TRP 44 -2.281 -2.157 -1.228 335 H THR 45 HN THR 45 -1.616 3.871 -5.738 336 HA THR 45 HA THR 45 -0.491 4.800 -8.304 337 HB THR 45 HB THR 45 -0.710 7.199 -7.192 338 HG1 THR 45 HG1 THR 45 -2.775 7.291 -6.115 339 1HG2 THR 45 HG21 THR 45 -2.788 7.549 -8.457 340 2HG2 THR 45 HG22 THR 45 -3.049 5.806 -8.521 341 3HG2 THR 45 HG23 THR 45 -1.674 6.522 -9.361 342 H TYR 46 HN TYR 46 1.702 5.003 -8.024 343 HA TYR 46 HA TYR 46 2.752 4.721 -5.245 344 1HB TYR 46 HB2 TYR 46 3.368 2.972 -6.775 345 2HB TYR 46 HB1 TYR 46 3.775 4.124 -8.040 346 HD1 TYR 46 HD1 TYR 46 5.914 5.215 -8.103 347 HD2 TYR 46 HD2 TYR 46 4.863 2.701 -4.782 348 HE1 TYR 46 HE1 TYR 46 8.274 5.221 -7.349 349 HE2 TYR 46 HE2 TYR 46 7.215 2.705 -4.029 350 HH TYR 46 HH TYR 46 9.437 3.078 -4.943 351 H ASP 47 HN ASP 47 4.121 6.272 -4.388 352 HA ASP 47 HA ASP 47 4.658 8.705 -6.056 353 1HB ASP 47 HB2 ASP 47 3.225 8.472 -3.768 354 2HB ASP 47 HB1 ASP 47 4.827 8.751 -3.085 355 H ASP 48 HN ASP 48 6.761 8.681 -6.729 356 HA ASP 48 HA ASP 48 8.863 7.153 -5.472 357 1HB ASP 48 HB2 ASP 48 10.255 8.344 -7.149 358 2HB ASP 48 HB1 ASP 48 8.764 7.731 -7.863 359 H ALA 49 HN ALA 49 7.613 10.368 -4.927 360 HA ALA 49 HA ALA 49 9.814 11.765 -3.906 361 1HB ALA 49 HB1 ALA 49 7.116 11.847 -2.581 362 2HB ALA 49 HB2 ALA 49 7.283 12.352 -4.262 363 3HB ALA 49 HB3 ALA 49 8.185 13.187 -2.997 364 H THR 50 HN THR 50 7.725 9.405 -2.242 365 HA THR 50 HA THR 50 9.853 9.004 -0.203 366 HB THR 50 HB THR 50 8.175 9.343 1.602 367 HG1 THR 50 HG1 THR 50 6.154 9.589 1.113 368 1HG2 THR 50 HG21 THR 50 8.179 11.724 1.536 369 2HG2 THR 50 HG22 THR 50 8.169 11.746 -0.229 370 3HG2 THR 50 HG23 THR 50 9.615 11.228 0.638 371 H LYS 51 HN LYS 51 8.267 7.476 -2.442 372 HA LYS 51 HA LYS 51 7.400 5.300 -2.755 373 1HB LYS 51 HB2 LYS 51 9.500 5.318 -0.738 374 2HB LYS 51 HB1 LYS 51 8.370 3.996 -0.448 375 1HG LYS 51 HG2 LYS 51 9.747 2.947 -1.963 376 2HG LYS 51 HG1 LYS 51 8.633 3.711 -3.098 377 1HD LYS 51 HD2 LYS 51 10.924 4.169 -3.804 378 2HD LYS 51 HD1 LYS 51 10.191 5.667 -3.231 379 1HE LYS 51 HE2 LYS 51 11.600 5.809 -1.427 380 2HE LYS 51 HE1 LYS 51 11.591 4.054 -1.162 381 1HZ LYS 51 HZ1 LYS 51 12.878 3.856 -3.270 382 2HZ LYS 51 HZ2 LYS 51 13.724 4.629 -2.016 383 3HZ LYS 51 HZ3 LYS 51 13.048 5.544 -3.278 384 H THR 52 HN THR 52 5.144 5.730 -2.422 385 HA THR 52 HA THR 52 4.075 4.641 0.126 386 HB THR 52 HB THR 52 3.387 7.390 -0.957 387 HG1 THR 52 HG1 THR 52 4.848 6.673 1.362 388 1HG2 THR 52 HG21 THR 52 2.190 7.633 1.187 389 2HG2 THR 52 HG22 THR 52 2.618 5.976 1.612 390 3HG2 THR 52 HG23 THR 52 1.545 6.288 0.247 391 H PHE 53 HN PHE 53 2.920 2.983 -0.903 392 HA PHE 53 HA PHE 53 1.508 3.212 -3.399 393 1HB PHE 53 HB2 PHE 53 1.278 1.404 -0.975 394 2HB PHE 53 HB1 PHE 53 0.328 1.147 -2.438 395 HD1 PHE 53 HD1 PHE 53 1.435 0.606 -4.577 396 HD2 PHE 53 HD2 PHE 53 3.640 0.959 -0.916 397 HE1 PHE 53 HE1 PHE 53 3.365 -0.547 -5.632 398 HE2 PHE 53 HE2 PHE 53 5.571 -0.195 -1.961 399 HZ PHE 53 HZ PHE 53 5.434 -0.947 -4.322 400 H THR 54 HN THR 54 -0.343 4.402 -3.769 401 HA THR 54 HA THR 54 -2.044 5.060 -1.380 402 HB THR 54 HB THR 54 -1.588 6.566 -3.968 403 HG1 THR 54 HG1 THR 54 -0.051 7.575 -2.932 404 1HG2 THR 54 HG21 THR 54 -3.778 6.810 -2.447 405 2HG2 THR 54 HG22 THR 54 -3.006 8.207 -3.195 406 3HG2 THR 54 HG23 THR 54 -2.691 7.828 -1.502 407 H VAL 55 HN VAL 55 -3.751 3.568 -1.481 408 HA VAL 55 HA VAL 55 -5.198 3.301 -4.048 409 HB VAL 55 HB VAL 55 -4.380 1.209 -2.922 410 1HG1 VAL 55 HG11 VAL 55 -5.307 0.471 -0.849 411 2HG1 VAL 55 HG12 VAL 55 -6.447 1.826 -0.824 412 3HG1 VAL 55 HG13 VAL 55 -4.724 2.118 -0.580 413 1HG2 VAL 55 HG21 VAL 55 -6.466 1.327 -4.362 414 2HG2 VAL 55 HG22 VAL 55 -7.389 1.374 -2.860 415 3HG2 VAL 55 HG23 VAL 55 -6.392 -0.031 -3.239 416 H THR 56 HN THR 56 -7.661 3.170 -3.720 417 HA THR 56 HA THR 56 -8.761 4.572 -1.385 418 HB THR 56 HB THR 56 -8.659 5.768 -4.169 419 HG1 THR 56 HG1 THR 56 -7.302 7.232 -3.261 420 1HG2 THR 56 HG21 THR 56 -10.687 6.589 -3.429 421 2HG2 THR 56 HG22 THR 56 -9.614 7.768 -2.674 422 3HG2 THR 56 HG23 THR 56 -10.252 6.423 -1.728 423 H GLU 57 HN GLU 57 -10.449 3.126 -1.084 424 HA GLU 57 HA GLU 57 -11.911 1.996 -3.389 425 1HB GLU 57 HB2 GLU 57 -11.155 1.025 -0.990 426 2HB GLU 57 HB1 GLU 57 -12.765 1.604 -0.560 427 1HG GLU 57 HG2 GLU 57 -12.199 -0.188 -2.937 428 2HG GLU 57 HG1 GLU 57 -12.728 -0.782 -1.362 Start of MODEL 31 1 1H MET 1 HT1 MET 1 -17.257 2.440 3.513 2 2H MET 1 HT2 MET 1 -16.292 1.104 3.925 3 3H MET 1 HT3 MET 1 -17.382 1.000 2.625 4 HA MET 1 HA MET 1 -16.106 2.626 1.372 5 1HB MET 1 HB2 MET 1 -15.021 2.919 4.091 6 2HB MET 1 HB1 MET 1 -13.771 2.892 2.848 7 1HG MET 1 HG2 MET 1 -14.327 5.161 2.916 8 2HG MET 1 HG1 MET 1 -15.348 4.577 1.602 9 1HE MET 1 HE1 MET 1 -17.043 7.355 3.064 10 2HE MET 1 HE2 MET 1 -18.066 6.288 2.105 11 3HE MET 1 HE3 MET 1 -16.370 6.491 1.675 12 H THR 2 HN THR 2 -13.560 2.140 0.774 13 HA THR 2 HA THR 2 -13.419 -0.829 0.491 14 HB THR 2 HB THR 2 -12.025 1.436 -0.974 15 HG1 THR 2 HG1 THR 2 -13.717 1.474 -2.214 16 1HG2 THR 2 HG21 THR 2 -10.753 -0.604 -1.173 17 2HG2 THR 2 HG22 THR 2 -11.640 -0.378 -2.682 18 3HG2 THR 2 HG23 THR 2 -12.214 -1.541 -1.486 19 H THR 3 HN THR 3 -12.126 -1.728 2.057 20 HA THR 3 HA THR 3 -9.898 -0.228 3.212 21 HB THR 3 HB THR 3 -11.429 -1.502 4.638 22 HG1 THR 3 HG1 THR 3 -8.899 -2.765 4.467 23 1HG2 THR 3 HG21 THR 3 -12.211 -3.518 4.028 24 2HG2 THR 3 HG22 THR 3 -10.576 -4.177 4.021 25 3HG2 THR 3 HG23 THR 3 -11.233 -3.433 2.563 26 H PHE 4 HN PHE 4 -8.220 -0.166 1.687 27 HA PHE 4 HA PHE 4 -7.439 -2.536 0.146 28 1HB PHE 4 HB2 PHE 4 -6.298 0.239 0.569 29 2HB PHE 4 HB1 PHE 4 -5.588 -0.931 -0.540 30 HD1 PHE 4 HD1 PHE 4 -8.276 1.447 0.019 31 HD2 PHE 4 HD2 PHE 4 -6.944 -1.781 -2.482 32 HE1 PHE 4 HE1 PHE 4 -9.916 2.115 -1.717 33 HE2 PHE 4 HE2 PHE 4 -8.587 -1.112 -4.217 34 HZ PHE 4 HZ PHE 4 -10.070 0.835 -3.835 35 H LYS 5 HN LYS 5 -4.925 -3.036 0.235 36 HA LYS 5 HA LYS 5 -3.911 -3.006 3.047 37 1HB LYS 5 HB2 LYS 5 -4.888 -5.269 1.420 38 2HB LYS 5 HB1 LYS 5 -3.317 -5.548 2.172 39 1HG LYS 5 HG2 LYS 5 -4.287 -4.852 4.365 40 2HG LYS 5 HG1 LYS 5 -5.864 -4.709 3.588 41 1HD LYS 5 HD2 LYS 5 -5.524 -7.143 2.829 42 2HD LYS 5 HD1 LYS 5 -4.209 -7.202 4.004 43 1HE LYS 5 HE2 LYS 5 -6.183 -6.099 5.535 44 2HE LYS 5 HE1 LYS 5 -7.134 -7.150 4.466 45 1HZ LYS 5 HZ1 LYS 5 -5.446 -8.912 4.916 46 2HZ LYS 5 HZ2 LYS 5 -6.383 -8.485 6.267 47 3HZ LYS 5 HZ3 LYS 5 -4.790 -7.914 6.120 48 H LEU 6 HN LEU 6 -1.970 -1.941 2.750 49 HA LEU 6 HA LEU 6 -0.380 -2.389 0.289 50 1HB LEU 6 HB2 LEU 6 -0.963 -0.184 1.676 51 2HB LEU 6 HB1 LEU 6 0.447 -0.669 2.600 52 HG LEU 6 HG LEU 6 0.270 0.503 -0.112 53 1HD1 LEU 6 HD11 LEU 6 2.794 0.897 0.685 54 2HD1 LEU 6 HD12 LEU 6 2.096 0.475 2.248 55 3HD1 LEU 6 HD13 LEU 6 1.452 1.839 1.334 56 1HD2 LEU 6 HD21 LEU 6 2.142 -1.832 0.415 57 2HD2 LEU 6 HD22 LEU 6 2.450 -0.619 -0.829 58 3HD2 LEU 6 HD23 LEU 6 1.015 -1.640 -0.928 59 H ILE 7 HN ILE 7 0.941 -4.215 0.384 60 HA ILE 7 HA ILE 7 1.874 -5.409 2.831 61 HB ILE 7 HB ILE 7 1.632 -6.235 0.300 62 1HG1 ILE 7 HG12 ILE 7 3.275 -8.079 0.854 63 2HG1 ILE 7 HG11 ILE 7 3.710 -7.159 2.294 64 1HG2 ILE 7 HG21 ILE 7 3.479 -6.120 -1.064 65 2HG2 ILE 7 HG22 ILE 7 4.606 -6.014 0.287 66 3HG2 ILE 7 HG23 ILE 7 3.683 -4.595 -0.203 67 1HD1 ILE 7 HD11 ILE 7 1.543 -7.370 3.224 68 2HD1 ILE 7 HD12 ILE 7 1.887 -8.967 2.557 69 3HD1 ILE 7 HD13 ILE 7 0.838 -7.852 1.681 70 H ILE 8 HN ILE 8 4.372 -5.565 3.286 71 HA ILE 8 HA ILE 8 5.662 -2.917 2.725 72 HB ILE 8 HB ILE 8 5.546 -4.425 5.356 73 1HG1 ILE 8 HG12 ILE 8 4.266 -1.780 4.605 74 2HG1 ILE 8 HG11 ILE 8 3.397 -3.315 4.619 75 1HG2 ILE 8 HG21 ILE 8 6.752 -2.598 6.301 76 2HG2 ILE 8 HG22 ILE 8 6.556 -1.623 4.844 77 3HG2 ILE 8 HG23 ILE 8 7.622 -3.027 4.828 78 1HD1 ILE 8 HD11 ILE 8 4.503 -1.745 6.920 79 2HD1 ILE 8 HD12 ILE 8 4.401 -3.499 7.060 80 3HD1 ILE 8 HD13 ILE 8 2.943 -2.552 6.766 81 H ASN 9 HN ASN 9 6.756 -4.397 1.053 82 HA ASN 9 HA ASN 9 8.792 -6.223 2.232 83 1HB ASN 9 HB2 ASN 9 7.309 -5.942 -0.260 84 2HB ASN 9 HB1 ASN 9 9.036 -6.085 -0.578 85 1HD2 ASN 9 HD21 ASN 9 6.610 -8.059 -0.777 86 2HD2 ASN 9 HD22 ASN 9 7.191 -9.455 -0.007 87 H GLY 10 HN GLY 10 9.223 -3.623 2.963 88 1HA GLY 10 HA2 GLY 10 11.343 -2.611 1.117 89 2HA GLY 10 HA1 GLY 10 10.463 -1.608 2.276 90 H LYS 11 HN LYS 11 13.289 -1.725 2.178 91 HA LYS 11 HA LYS 11 14.256 -3.493 4.307 92 1HB LYS 11 HB2 LYS 11 15.543 -2.681 2.286 93 2HB LYS 11 HB1 LYS 11 15.552 -1.075 3.016 94 1HG LYS 11 HG2 LYS 11 16.924 -1.748 4.794 95 2HG LYS 11 HG1 LYS 11 16.514 -3.451 4.590 96 1HD LYS 11 HD2 LYS 11 17.792 -3.570 2.529 97 2HD LYS 11 HD1 LYS 11 18.094 -1.832 2.572 98 1HE LYS 11 HE2 LYS 11 18.910 -3.405 4.980 99 2HE LYS 11 HE1 LYS 11 19.901 -3.572 3.517 100 1HZ LYS 11 HZ1 LYS 11 20.111 -1.212 3.362 101 2HZ LYS 11 HZ2 LYS 11 20.551 -1.660 4.940 102 3HZ LYS 11 HZ3 LYS 11 19.029 -0.966 4.644 103 H THR 12 HN THR 12 12.373 -0.712 4.393 104 HA THR 12 HA THR 12 13.680 0.389 6.836 105 HB THR 12 HB THR 12 11.305 1.462 5.297 106 HG1 THR 12 HG1 THR 12 12.909 2.670 4.145 107 1HG2 THR 12 HG21 THR 12 13.421 3.140 6.563 108 2HG2 THR 12 HG22 THR 12 12.299 2.301 7.634 109 3HG2 THR 12 HG23 THR 12 11.687 3.432 6.426 110 H LEU 13 HN LEU 13 10.726 -1.177 5.661 111 HA LEU 13 HA LEU 13 9.925 -1.650 8.500 112 1HB LEU 13 HB2 LEU 13 8.885 0.413 7.074 113 2HB LEU 13 HB1 LEU 13 7.772 -0.870 6.608 114 HG LEU 13 HG LEU 13 7.760 -1.377 9.203 115 1HD1 LEU 13 HD11 LEU 13 9.556 0.466 9.480 116 2HD1 LEU 13 HD12 LEU 13 8.197 0.479 10.604 117 3HD1 LEU 13 HD13 LEU 13 8.230 1.605 9.247 118 1HD2 LEU 13 HD21 LEU 13 5.898 -0.502 7.640 119 2HD2 LEU 13 HD22 LEU 13 6.310 1.099 8.254 120 3HD2 LEU 13 HD23 LEU 13 5.735 -0.148 9.360 121 H LYS 14 HN LYS 14 8.033 -3.269 8.537 122 HA LYS 14 HA LYS 14 7.812 -5.014 6.155 123 1HB LYS 14 HB2 LYS 14 9.912 -5.496 7.647 124 2HB LYS 14 HB1 LYS 14 8.742 -6.202 8.762 125 1HG LYS 14 HG2 LYS 14 8.193 -7.925 7.317 126 2HG LYS 14 HG1 LYS 14 8.591 -6.985 5.879 127 1HD LYS 14 HD2 LYS 14 10.463 -8.299 5.875 128 2HD LYS 14 HD1 LYS 14 11.038 -7.109 7.044 129 1HE LYS 14 HE2 LYS 14 10.094 -8.563 8.883 130 2HE LYS 14 HE1 LYS 14 9.764 -9.798 7.652 131 1HZ LYS 14 HZ1 LYS 14 12.408 -8.543 8.177 132 2HZ LYS 14 HZ2 LYS 14 12.085 -9.711 6.986 133 3HZ LYS 14 HZ3 LYS 14 11.960 -10.114 8.632 134 H GLY 15 HN GLY 15 5.881 -6.204 6.196 135 1HA GLY 15 HA2 GLY 15 4.226 -7.372 7.764 136 2HA GLY 15 HA1 GLY 15 4.165 -5.829 8.617 137 H GLU 16 HN GLU 16 1.798 -6.010 8.077 138 HA GLU 16 HA GLU 16 1.243 -5.069 5.279 139 1HB GLU 16 HB2 GLU 16 0.395 -7.335 5.902 140 2HB GLU 16 HB1 GLU 16 -0.526 -6.599 7.215 141 1HG GLU 16 HG2 GLU 16 -2.071 -5.668 5.795 142 2HG GLU 16 HG1 GLU 16 -0.893 -5.422 4.506 143 H THR 17 HN THR 17 -0.127 -3.262 5.068 144 HA THR 17 HA THR 17 -0.909 -1.885 7.621 145 HB THR 17 HB THR 17 -0.191 -0.585 4.983 146 HG1 THR 17 HG1 THR 17 1.884 -0.405 5.775 147 1HG2 THR 17 HG21 THR 17 0.267 0.643 7.659 148 2HG2 THR 17 HG22 THR 17 -1.402 0.506 7.107 149 3HG2 THR 17 HG23 THR 17 -0.226 1.399 6.144 150 H THR 18 HN THR 18 -2.975 -0.913 7.641 151 HA THR 18 HA THR 18 -4.687 -1.338 5.214 152 HB THR 18 HB THR 18 -6.488 -1.931 6.882 153 HG1 THR 18 HG1 THR 18 -4.289 -2.048 8.665 154 1HG2 THR 18 HG21 THR 18 -3.980 -3.631 6.979 155 2HG2 THR 18 HG22 THR 18 -5.193 -3.672 5.699 156 3HG2 THR 18 HG23 THR 18 -5.616 -4.187 7.332 157 H THR 19 HN THR 19 -6.690 0.078 5.312 158 HA THR 19 HA THR 19 -6.712 2.395 7.088 159 HB THR 19 HB THR 19 -4.814 2.938 5.619 160 HG1 THR 19 HG1 THR 19 -5.747 4.797 5.972 161 1HG2 THR 19 HG21 THR 19 -5.728 1.477 3.713 162 2HG2 THR 19 HG22 THR 19 -4.973 3.001 3.248 163 3HG2 THR 19 HG23 THR 19 -6.731 2.863 3.284 164 H GLU 20 HN GLU 20 -8.315 4.117 5.976 165 HA GLU 20 HA GLU 20 -10.617 2.538 4.876 166 1HB GLU 20 HB2 GLU 20 -10.810 3.564 7.156 167 2HB GLU 20 HB1 GLU 20 -10.566 5.150 6.423 168 1HG GLU 20 HG2 GLU 20 -12.582 4.925 5.105 169 2HG GLU 20 HG1 GLU 20 -12.785 3.250 5.620 170 H ALA 21 HN ALA 21 -10.369 2.844 2.645 171 HA ALA 21 HA ALA 21 -10.386 5.688 1.683 172 1HB ALA 21 HB1 ALA 21 -8.658 3.363 1.083 173 2HB ALA 21 HB2 ALA 21 -8.314 5.086 0.927 174 3HB ALA 21 HB3 ALA 21 -9.217 4.249 -0.336 175 H VAL 22 HN VAL 22 -11.786 6.093 -0.076 176 HA VAL 22 HA VAL 22 -14.048 4.320 -0.406 177 HB VAL 22 HB VAL 22 -14.165 6.775 -0.556 178 1HG1 VAL 22 HG11 VAL 22 -12.096 7.421 -1.509 179 2HG1 VAL 22 HG12 VAL 22 -13.284 7.789 -2.758 180 3HG1 VAL 22 HG13 VAL 22 -12.296 6.336 -2.884 181 1HG2 VAL 22 HG21 VAL 22 -15.533 6.939 -2.573 182 2HG2 VAL 22 HG22 VAL 22 -15.813 5.376 -1.806 183 3HG2 VAL 22 HG23 VAL 22 -14.782 5.486 -3.232 184 H ASP 23 HN ASP 23 -11.017 4.746 -2.131 185 HA ASP 23 HA ASP 23 -11.401 2.294 -3.630 186 1HB ASP 23 HB2 ASP 23 -11.456 3.420 -5.877 187 2HB ASP 23 HB1 ASP 23 -12.901 3.709 -4.912 188 H ALA 24 HN ALA 24 -9.574 2.215 -5.433 189 HA ALA 24 HA ALA 24 -7.053 2.395 -4.203 190 1HB ALA 24 HB1 ALA 24 -6.233 2.112 -6.573 191 2HB ALA 24 HB2 ALA 24 -7.891 2.381 -7.113 192 3HB ALA 24 HB3 ALA 24 -7.505 0.980 -6.113 193 H ALA 25 HN ALA 25 -8.850 4.857 -5.943 194 HA ALA 25 HA ALA 25 -6.751 6.635 -6.676 195 1HB ALA 25 HB1 ALA 25 -9.356 7.677 -5.634 196 2HB ALA 25 HB2 ALA 25 -9.402 6.568 -7.005 197 3HB ALA 25 HB3 ALA 25 -8.506 8.083 -7.125 198 H THR 26 HN THR 26 -8.509 6.281 -3.601 199 HA THR 26 HA THR 26 -6.889 8.436 -2.351 200 HB THR 26 HB THR 26 -9.064 6.667 -1.191 201 HG1 THR 26 HG1 THR 26 -10.384 8.532 -1.746 202 1HG2 THR 26 HG21 THR 26 -7.931 9.373 -0.438 203 2HG2 THR 26 HG22 THR 26 -7.828 7.882 0.498 204 3HG2 THR 26 HG23 THR 26 -9.385 8.681 0.281 205 H ALA 27 HN ALA 27 -7.256 4.931 -2.353 206 HA ALA 27 HA ALA 27 -5.829 4.286 0.034 207 1HB ALA 27 HB1 ALA 27 -7.171 2.940 -1.899 208 2HB ALA 27 HB2 ALA 27 -6.086 2.142 -0.759 209 3HB ALA 27 HB3 ALA 27 -5.514 2.565 -2.373 210 H GLU 28 HN GLU 28 -4.611 4.338 -3.341 211 HA GLU 28 HA GLU 28 -1.848 3.962 -2.690 212 1HB GLU 28 HB2 GLU 28 -3.142 3.800 -4.927 213 2HB GLU 28 HB1 GLU 28 -2.910 5.546 -5.037 214 1HG GLU 28 HG2 GLU 28 -0.410 5.040 -4.589 215 2HG GLU 28 HG1 GLU 28 -0.817 3.375 -5.008 216 H LYS 29 HN LYS 29 -3.811 6.918 -3.014 217 HA LYS 29 HA LYS 29 -1.726 8.851 -2.929 218 1HB LYS 29 HB2 LYS 29 -4.147 9.234 -3.417 219 2HB LYS 29 HB1 LYS 29 -4.506 8.969 -1.710 220 1HG LYS 29 HG2 LYS 29 -2.821 10.836 -1.219 221 2HG LYS 29 HG1 LYS 29 -2.890 11.206 -2.943 222 1HD LYS 29 HD2 LYS 29 -5.145 11.837 -2.852 223 2HD LYS 29 HD1 LYS 29 -5.432 10.950 -1.354 224 1HE LYS 29 HE2 LYS 29 -4.660 12.668 -0.040 225 2HE LYS 29 HE1 LYS 29 -3.397 13.118 -1.203 226 1HZ LYS 29 HZ1 LYS 29 -5.050 14.054 -2.649 227 2HZ LYS 29 HZ2 LYS 29 -5.230 14.750 -1.109 228 3HZ LYS 29 HZ3 LYS 29 -6.307 13.544 -1.631 229 H VAL 30 HN VAL 30 -3.466 7.237 -0.263 230 HA VAL 30 HA VAL 30 -1.946 8.655 1.809 231 HB VAL 30 HB VAL 30 -3.841 6.278 1.837 232 1HG1 VAL 30 HG11 VAL 30 -2.598 7.919 4.054 233 2HG1 VAL 30 HG12 VAL 30 -2.603 6.164 3.869 234 3HG1 VAL 30 HG13 VAL 30 -4.093 7.011 4.287 235 1HG2 VAL 30 HG21 VAL 30 -4.187 9.260 2.160 236 2HG2 VAL 30 HG22 VAL 30 -5.360 8.125 2.829 237 3HG2 VAL 30 HG23 VAL 30 -5.062 8.163 1.091 238 H PHE 31 HN PHE 31 -2.043 5.343 0.471 239 HA PHE 31 HA PHE 31 0.009 4.251 2.162 240 1HB PHE 31 HB2 PHE 31 -1.273 3.565 -0.473 241 2HB PHE 31 HB1 PHE 31 0.103 2.621 0.096 242 HD1 PHE 31 HD1 PHE 31 -0.215 2.413 2.948 243 HD2 PHE 31 HD2 PHE 31 -3.246 2.378 -0.096 244 HE1 PHE 31 HE1 PHE 31 -1.715 1.141 4.456 245 HE2 PHE 31 HE2 PHE 31 -4.745 1.109 1.415 246 HZ PHE 31 HZ PHE 31 -3.982 0.490 3.690 247 H LYS 32 HN LYS 32 0.113 5.906 -0.985 248 HA LYS 32 HA LYS 32 2.873 5.408 -1.589 249 1HB LYS 32 HB2 LYS 32 1.159 6.277 -3.168 250 2HB LYS 32 HB1 LYS 32 1.089 7.783 -2.253 251 1HG LYS 32 HG2 LYS 32 2.654 8.451 -3.786 252 2HG LYS 32 HG1 LYS 32 3.760 7.630 -2.684 253 1HD LYS 32 HD2 LYS 32 3.547 5.558 -4.009 254 2HD LYS 32 HD1 LYS 32 2.444 6.379 -5.114 255 1HE LYS 32 HE2 LYS 32 4.436 6.701 -6.267 256 2HE LYS 32 HE1 LYS 32 4.494 8.127 -5.212 257 1HZ LYS 32 HZ1 LYS 32 5.723 5.472 -4.701 258 2HZ LYS 32 HZ2 LYS 32 5.617 6.704 -3.536 259 3HZ LYS 32 HZ3 LYS 32 6.535 6.941 -4.946 260 H GLN 33 HN GLN 33 1.246 8.086 0.128 261 HA GLN 33 HA GLN 33 3.597 9.607 0.738 262 1HB GLN 33 HB2 GLN 33 1.158 10.298 0.870 263 2HB GLN 33 HB1 GLN 33 1.048 9.354 2.356 264 1HG GLN 33 HG2 GLN 33 1.498 11.581 3.068 265 2HG GLN 33 HG1 GLN 33 3.041 10.735 3.196 266 1HE2 GLN 33 HE21 GLN 33 4.773 11.757 2.179 267 2HE2 GLN 33 HE22 GLN 33 4.631 12.911 0.942 268 H TYR 34 HN TYR 34 2.072 6.852 2.220 269 HA TYR 34 HA TYR 34 3.543 6.860 4.716 270 1HB TYR 34 HB2 TYR 34 1.559 5.626 4.756 271 2HB TYR 34 HB1 TYR 34 1.779 5.021 3.120 272 HD1 TYR 34 HD1 TYR 34 2.866 4.648 6.643 273 HD2 TYR 34 HD2 TYR 34 2.902 2.949 2.705 274 HE1 TYR 34 HE1 TYR 34 3.774 2.527 7.568 275 HE2 TYR 34 HE2 TYR 34 3.808 0.831 3.616 276 HH TYR 34 HH TYR 34 3.871 0.156 6.967 277 H ALA 35 HN ALA 35 3.892 4.992 1.679 278 HA ALA 35 HA ALA 35 6.377 3.719 2.429 279 1HB ALA 35 HB1 ALA 35 6.319 3.639 -0.287 280 2HB ALA 35 HB2 ALA 35 4.635 4.049 0.041 281 3HB ALA 35 HB3 ALA 35 5.335 2.578 0.723 282 H ASN 36 HN ASN 36 5.592 6.615 0.498 283 HA ASN 36 HA ASN 36 8.186 7.263 -0.418 284 1HB ASN 36 HB2 ASN 36 5.984 8.269 -1.094 285 2HB ASN 36 HB1 ASN 36 5.969 9.148 0.435 286 1HD2 ASN 36 HD21 ASN 36 6.049 10.481 -2.134 287 2HD2 ASN 36 HD22 ASN 36 7.537 11.291 -2.251 288 H ASP 37 HN ASP 37 6.527 8.226 2.593 289 HA ASP 37 HA ASP 37 8.626 9.887 3.634 290 1HB ASP 37 HB2 ASP 37 6.172 9.686 4.326 291 2HB ASP 37 HB1 ASP 37 6.634 8.228 5.203 292 H ASN 38 HN ASN 38 7.833 6.443 4.206 293 HA ASN 38 HA ASN 38 10.064 5.958 5.990 294 1HB ASN 38 HB2 ASN 38 8.068 4.339 4.427 295 2HB ASN 38 HB1 ASN 38 9.417 3.519 5.214 296 1HD2 ASN 38 HD21 ASN 38 6.543 5.532 5.841 297 2HD2 ASN 38 HD22 ASN 38 6.448 5.171 7.497 298 H GLY 39 HN GLY 39 9.497 5.133 2.547 299 1HA GLY 39 HA2 GLY 39 11.466 5.640 1.024 300 2HA GLY 39 HA1 GLY 39 12.459 4.835 2.239 301 H ILE 40 HN ILE 40 9.403 4.075 0.512 302 HA ILE 40 HA ILE 40 10.518 1.334 0.019 303 HB ILE 40 HB ILE 40 7.669 2.325 0.378 304 1HG1 ILE 40 HG12 ILE 40 9.415 0.533 2.097 305 2HG1 ILE 40 HG11 ILE 40 9.073 2.228 2.436 306 1HG2 ILE 40 HG21 ILE 40 8.818 -0.259 -0.574 307 2HG2 ILE 40 HG22 ILE 40 7.269 0.490 -0.971 308 3HG2 ILE 40 HG23 ILE 40 7.475 -0.360 0.562 309 1HD1 ILE 40 HD11 ILE 40 6.741 1.785 2.769 310 2HD1 ILE 40 HD12 ILE 40 7.615 0.550 3.675 311 3HD1 ILE 40 HD13 ILE 40 6.893 0.154 2.116 312 H ASP 41 HN ASP 41 11.404 2.962 -1.863 313 HA ASP 41 HA ASP 41 9.517 3.402 -4.066 314 1HB ASP 41 HB2 ASP 41 12.368 3.876 -3.387 315 2HB ASP 41 HB1 ASP 41 12.037 3.651 -5.105 316 H GLY 42 HN GLY 42 9.024 0.885 -3.660 317 1HA GLY 42 HA2 GLY 42 10.911 -0.845 -5.154 318 2HA GLY 42 HA1 GLY 42 9.547 -1.394 -4.177 319 H GLU 43 HN GLU 43 8.503 -2.602 -5.715 320 HA GLU 43 HA GLU 43 7.566 -1.178 -8.137 321 1HB GLU 43 HB2 GLU 43 7.471 -3.404 -9.187 322 2HB GLU 43 HB1 GLU 43 9.078 -3.115 -8.526 323 1HG GLU 43 HG2 GLU 43 7.754 -4.272 -6.388 324 2HG GLU 43 HG1 GLU 43 7.072 -5.128 -7.767 325 H TRP 44 HN TRP 44 5.514 -0.496 -7.759 326 HA TRP 44 HA TRP 44 3.819 -1.781 -5.807 327 1HB TRP 44 HB2 TRP 44 3.577 0.535 -7.709 328 2HB TRP 44 HB1 TRP 44 2.226 0.027 -6.689 329 HD1 TRP 44 HD1 TRP 44 5.907 1.130 -6.376 330 HE1 TRP 44 HE1 TRP 44 6.229 2.203 -4.052 331 HE3 TRP 44 HE3 TRP 44 1.274 0.328 -4.384 332 HZ2 TRP 44 HZ2 TRP 44 4.720 2.647 -1.667 333 HZ3 TRP 44 HZ3 TRP 44 0.745 1.085 -2.084 334 HH2 TRP 44 HH2 TRP 44 2.461 2.249 -0.726 335 H THR 45 HN THR 45 2.008 -2.963 -6.127 336 HA THR 45 HA THR 45 0.945 -3.478 -8.832 337 HB THR 45 HB THR 45 1.153 -6.021 -8.139 338 HG1 THR 45 HG1 THR 45 2.691 -6.450 -6.719 339 1HG2 THR 45 HG21 THR 45 3.183 -6.185 -9.429 340 2HG2 THR 45 HG22 THR 45 3.620 -4.520 -9.045 341 3HG2 THR 45 HG23 THR 45 2.237 -4.851 -10.089 342 H TYR 46 HN TYR 46 -1.251 -3.734 -8.640 343 HA TYR 46 HA TYR 46 -2.365 -3.911 -5.879 344 1HB TYR 46 HB2 TYR 46 -2.986 -1.941 -7.088 345 2HB TYR 46 HB1 TYR 46 -3.293 -2.848 -8.563 346 HD1 TYR 46 HD1 TYR 46 -4.601 -2.036 -5.184 347 HD2 TYR 46 HD2 TYR 46 -5.385 -3.979 -8.933 348 HE1 TYR 46 HE1 TYR 46 -6.986 -2.221 -4.586 349 HE2 TYR 46 HE2 TYR 46 -7.781 -4.171 -8.330 350 HH TYR 46 HH TYR 46 -9.335 -2.565 -6.477 351 H ASP 47 HN ASP 47 -3.762 -5.582 -5.329 352 HA ASP 47 HA ASP 47 -4.168 -7.749 -7.356 353 1HB ASP 47 HB2 ASP 47 -3.816 -7.614 -4.367 354 2HB ASP 47 HB1 ASP 47 -4.575 -9.026 -5.102 355 H ASP 48 HN ASP 48 -6.196 -7.472 -8.234 356 HA ASP 48 HA ASP 48 -8.411 -6.197 -6.908 357 1HB ASP 48 HB2 ASP 48 -9.647 -7.059 -8.885 358 2HB ASP 48 HB1 ASP 48 -8.106 -6.337 -9.345 359 H ALA 49 HN ALA 49 -7.196 -9.468 -6.831 360 HA ALA 49 HA ALA 49 -9.487 -10.985 -6.257 361 1HB ALA 49 HB1 ALA 49 -6.958 -11.443 -4.729 362 2HB ALA 49 HB2 ALA 49 -6.876 -11.478 -6.490 363 3HB ALA 49 HB3 ALA 49 -7.939 -12.595 -5.635 364 H THR 50 HN THR 50 -7.474 -9.054 -4.033 365 HA THR 50 HA THR 50 -9.745 -8.985 -2.107 366 HB THR 50 HB THR 50 -8.187 -9.669 -0.292 367 HG1 THR 50 HG1 THR 50 -6.148 -10.418 -0.879 368 1HG2 THR 50 HG21 THR 50 -8.135 -12.010 -0.832 369 2HG2 THR 50 HG22 THR 50 -8.127 -11.669 -2.562 370 3HG2 THR 50 HG23 THR 50 -9.570 -11.337 -1.604 371 H LYS 51 HN LYS 51 -8.070 -7.080 -3.923 372 HA LYS 51 HA LYS 51 -7.200 -4.887 -3.787 373 1HB LYS 51 HB2 LYS 51 -9.365 -5.282 -1.873 374 2HB LYS 51 HB1 LYS 51 -8.256 -4.026 -1.322 375 1HG LYS 51 HG2 LYS 51 -9.575 -2.721 -2.669 376 2HG LYS 51 HG1 LYS 51 -8.458 -3.304 -3.905 377 1HD LYS 51 HD2 LYS 51 -10.651 -3.675 -4.785 378 2HD LYS 51 HD1 LYS 51 -10.075 -5.254 -4.249 379 1HE LYS 51 HE2 LYS 51 -11.281 -4.216 -1.961 380 2HE LYS 51 HE1 LYS 51 -12.355 -3.694 -3.274 381 1HZ LYS 51 HZ1 LYS 51 -11.298 -6.451 -2.937 382 2HZ LYS 51 HZ2 LYS 51 -12.380 -5.929 -4.138 383 3HZ LYS 51 HZ3 LYS 51 -12.864 -5.960 -2.510 384 H THR 52 HN THR 52 -4.954 -5.316 -3.459 385 HA THR 52 HA THR 52 -3.981 -4.719 -0.727 386 HB THR 52 HB THR 52 -3.228 -7.259 -2.201 387 HG1 THR 52 HG1 THR 52 -4.868 -8.141 -1.259 388 1HG2 THR 52 HG21 THR 52 -1.740 -5.978 -0.382 389 2HG2 THR 52 HG22 THR 52 -1.836 -7.738 -0.435 390 3HG2 THR 52 HG23 THR 52 -2.817 -6.836 0.720 391 H PHE 53 HN PHE 53 -2.783 -2.929 -1.435 392 HA PHE 53 HA PHE 53 -1.255 -2.782 -3.870 393 1HB PHE 53 HB2 PHE 53 -1.169 -1.363 -1.193 394 2HB PHE 53 HB1 PHE 53 -0.111 -0.906 -2.526 395 HD1 PHE 53 HD1 PHE 53 -1.045 -0.003 -4.620 396 HD2 PHE 53 HD2 PHE 53 -3.532 -0.904 -1.243 397 HE1 PHE 53 HE1 PHE 53 -2.880 1.339 -5.617 398 HE2 PHE 53 HE2 PHE 53 -5.370 0.437 -2.232 399 HZ PHE 53 HZ PHE 53 -5.043 1.559 -4.422 400 H THR 54 HN THR 54 0.715 -3.757 -4.323 401 HA THR 54 HA THR 54 2.260 -4.839 -1.977 402 HB THR 54 HB THR 54 1.939 -5.944 -4.781 403 HG1 THR 54 HG1 THR 54 0.630 -7.463 -3.725 404 1HG2 THR 54 HG21 THR 54 4.017 -6.413 -3.091 405 2HG2 THR 54 HG22 THR 54 3.394 -7.611 -4.224 406 3HG2 THR 54 HG23 THR 54 2.874 -7.638 -2.540 407 H VAL 55 HN VAL 55 4.019 -3.438 -1.766 408 HA VAL 55 HA VAL 55 5.571 -2.795 -4.205 409 HB VAL 55 HB VAL 55 4.667 -0.863 -2.872 410 1HG1 VAL 55 HG11 VAL 55 6.623 -1.763 -0.766 411 2HG1 VAL 55 HG12 VAL 55 4.884 -2.040 -0.649 412 3HG1 VAL 55 HG13 VAL 55 5.514 -0.388 -0.675 413 1HG2 VAL 55 HG21 VAL 55 6.693 0.409 -2.916 414 2HG2 VAL 55 HG22 VAL 55 6.812 -0.780 -4.213 415 3HG2 VAL 55 HG23 VAL 55 7.673 -1.041 -2.696 416 H THR 56 HN THR 56 8.002 -2.710 -3.749 417 HA THR 56 HA THR 56 9.023 -4.328 -1.524 418 HB THR 56 HB THR 56 9.002 -5.268 -4.407 419 HG1 THR 56 HG1 THR 56 7.756 -6.944 -3.552 420 1HG2 THR 56 HG21 THR 56 10.623 -6.065 -2.049 421 2HG2 THR 56 HG22 THR 56 10.997 -6.198 -3.767 422 3HG2 THR 56 HG23 THR 56 9.941 -7.384 -3.000 423 H GLU 57 HN GLU 57 10.742 -2.980 -1.032 424 HA GLU 57 HA GLU 57 12.186 -1.468 -3.084 425 1HB GLU 57 HB2 GLU 57 11.633 -1.146 -0.441 426 2HB GLU 57 HB1 GLU 57 13.271 -1.790 -0.338 427 1HG GLU 57 HG2 GLU 57 13.613 0.012 -2.332 428 2HG GLU 57 HG1 GLU 57 12.325 0.806 -1.426 Start of MODEL 32 1 1H MET 1 HT1 MET 1 17.148 -0.550 3.750 2 2H MET 1 HT2 MET 1 17.689 -1.366 2.362 3 3H MET 1 HT3 MET 1 17.568 -2.191 3.842 4 HA MET 1 HA MET 1 15.722 -2.652 2.211 5 1HB MET 1 HB2 MET 1 14.070 -2.527 4.082 6 2HB MET 1 HB1 MET 1 15.631 -3.150 4.610 7 1HG MET 1 HG2 MET 1 15.244 -0.198 4.772 8 2HG MET 1 HG1 MET 1 14.344 -1.181 5.925 9 1HE MET 1 HE1 MET 1 16.952 -3.207 7.777 10 2HE MET 1 HE2 MET 1 15.588 -3.438 6.685 11 3HE MET 1 HE3 MET 1 15.437 -2.335 8.051 12 H THR 2 HN THR 2 13.244 -1.584 2.438 13 HA THR 2 HA THR 2 13.418 1.314 1.748 14 HB THR 2 HB THR 2 12.150 -0.853 0.042 15 HG1 THR 2 HG1 THR 2 14.160 -1.045 -0.546 16 1HG2 THR 2 HG21 THR 2 12.426 2.142 -0.275 17 2HG2 THR 2 HG22 THR 2 10.936 1.199 -0.223 18 3HG2 THR 2 HG23 THR 2 12.017 1.067 -1.612 19 H THR 3 HN THR 3 11.978 2.167 3.209 20 HA THR 3 HA THR 3 9.671 0.664 4.154 21 HB THR 3 HB THR 3 10.503 3.529 4.660 22 HG1 THR 3 HG1 THR 3 11.207 1.149 6.032 23 1HG2 THR 3 HG21 THR 3 8.762 1.549 6.144 24 2HG2 THR 3 HG22 THR 3 8.281 3.106 5.468 25 3HG2 THR 3 HG23 THR 3 9.355 3.045 6.866 26 H PHE 4 HN PHE 4 8.252 0.488 2.333 27 HA PHE 4 HA PHE 4 7.493 2.823 0.745 28 1HB PHE 4 HB2 PHE 4 6.409 0.004 1.050 29 2HB PHE 4 HB1 PHE 4 5.823 1.148 -0.154 30 HD1 PHE 4 HD1 PHE 4 7.279 1.889 -2.003 31 HD2 PHE 4 HD2 PHE 4 8.596 -1.026 0.864 32 HE1 PHE 4 HE1 PHE 4 9.146 1.251 -3.507 33 HE2 PHE 4 HE2 PHE 4 10.461 -1.664 -0.641 34 HZ PHE 4 HZ PHE 4 10.734 -0.525 -2.827 35 H LYS 5 HN LYS 5 4.933 3.158 0.576 36 HA LYS 5 HA LYS 5 3.670 3.088 3.283 37 1HB LYS 5 HB2 LYS 5 5.010 5.239 2.682 38 2HB LYS 5 HB1 LYS 5 3.675 5.578 1.579 39 1HG LYS 5 HG2 LYS 5 2.108 5.241 3.549 40 2HG LYS 5 HG1 LYS 5 3.538 5.223 4.582 41 1HD LYS 5 HD2 LYS 5 3.230 7.474 2.636 42 2HD LYS 5 HD1 LYS 5 2.238 7.490 4.094 43 1HE LYS 5 HE2 LYS 5 5.158 6.895 4.408 44 2HE LYS 5 HE1 LYS 5 4.670 8.576 4.114 45 1HZ LYS 5 HZ1 LYS 5 3.168 8.501 5.930 46 2HZ LYS 5 HZ2 LYS 5 4.646 7.893 6.506 47 3HZ LYS 5 HZ3 LYS 5 3.374 6.830 6.132 48 H LEU 6 HN LEU 6 1.796 1.967 2.849 49 HA LEU 6 HA LEU 6 0.419 2.304 0.243 50 1HB LEU 6 HB2 LEU 6 0.969 0.142 1.690 51 2HB LEU 6 HB1 LEU 6 -0.517 0.578 2.513 52 HG LEU 6 HG LEU 6 -0.118 -0.658 -0.131 53 1HD1 LEU 6 HD11 LEU 6 -1.405 -1.921 1.311 54 2HD1 LEU 6 HD12 LEU 6 -2.673 -1.083 0.416 55 3HD1 LEU 6 HD13 LEU 6 -2.199 -0.511 2.015 56 1HD2 LEU 6 HD21 LEU 6 -2.231 0.412 -1.088 57 2HD2 LEU 6 HD22 LEU 6 -0.796 1.436 -1.109 58 3HD2 LEU 6 HD23 LEU 6 -2.036 1.684 0.119 59 H ILE 7 HN ILE 7 -1.090 3.938 0.128 60 HA ILE 7 HA ILE 7 -2.236 5.182 2.484 61 HB ILE 7 HB ILE 7 -1.760 5.971 -0.033 62 1HG1 ILE 7 HG12 ILE 7 -4.224 7.096 1.248 63 2HG1 ILE 7 HG11 ILE 7 -2.677 7.194 2.089 64 1HG2 ILE 7 HG21 ILE 7 -4.739 5.570 -0.209 65 2HG2 ILE 7 HG22 ILE 7 -3.630 4.348 -0.829 66 3HG2 ILE 7 HG23 ILE 7 -3.600 5.981 -1.490 67 1HD1 ILE 7 HD11 ILE 7 -3.438 8.384 -0.575 68 2HD1 ILE 7 HD12 ILE 7 -1.748 8.128 -0.138 69 3HD1 ILE 7 HD13 ILE 7 -2.760 9.196 0.837 70 H ILE 8 HN ILE 8 -4.789 5.325 2.585 71 HA ILE 8 HA ILE 8 -5.961 2.626 2.014 72 HB ILE 8 HB ILE 8 -6.175 4.278 4.549 73 1HG1 ILE 8 HG12 ILE 8 -4.827 1.601 4.103 74 2HG1 ILE 8 HG11 ILE 8 -3.963 3.138 4.147 75 1HG2 ILE 8 HG21 ILE 8 -7.230 1.510 3.903 76 2HG2 ILE 8 HG22 ILE 8 -8.217 2.965 4.036 77 3HG2 ILE 8 HG23 ILE 8 -7.377 2.336 5.454 78 1HD1 ILE 8 HD11 ILE 8 -3.795 2.338 6.363 79 2HD1 ILE 8 HD12 ILE 8 -5.464 1.769 6.375 80 3HD1 ILE 8 HD13 ILE 8 -5.122 3.498 6.433 81 H ASN 9 HN ASN 9 -6.831 3.996 0.140 82 HA ASN 9 HA ASN 9 -9.005 5.866 0.936 83 1HB ASN 9 HB2 ASN 9 -7.130 5.598 -1.228 84 2HB ASN 9 HB1 ASN 9 -8.757 5.501 -1.900 85 1HD2 ASN 9 HD21 ASN 9 -6.535 7.751 -1.679 86 2HD2 ASN 9 HD22 ASN 9 -7.440 9.108 -1.210 87 H GLY 10 HN GLY 10 -9.460 3.217 1.641 88 1HA GLY 10 HA2 GLY 10 -11.325 2.167 -0.434 89 2HA GLY 10 HA1 GLY 10 -10.653 1.219 0.895 90 H LYS 11 HN LYS 11 -13.442 1.404 0.321 91 HA LYS 11 HA LYS 11 -14.709 3.292 2.150 92 1HB LYS 11 HB2 LYS 11 -15.660 2.274 0.029 93 2HB LYS 11 HB1 LYS 11 -15.812 0.755 0.913 94 1HG LYS 11 HG2 LYS 11 -17.534 1.529 2.223 95 2HG LYS 11 HG1 LYS 11 -16.932 3.187 2.218 96 1HD LYS 11 HD2 LYS 11 -17.587 3.283 -0.244 97 2HD LYS 11 HD1 LYS 11 -18.438 1.762 0.015 98 1HE LYS 11 HE2 LYS 11 -19.139 3.634 2.117 99 2HE LYS 11 HE1 LYS 11 -19.435 4.360 0.525 100 1HZ LYS 11 HZ1 LYS 11 -21.307 2.976 1.278 101 2HZ LYS 11 HZ2 LYS 11 -20.278 1.624 1.325 102 3HZ LYS 11 HZ3 LYS 11 -20.612 2.389 -0.154 103 H THR 12 HN THR 12 -12.929 0.466 2.719 104 HA THR 12 HA THR 12 -14.574 -0.352 5.064 105 HB THR 12 HB THR 12 -12.082 -1.653 3.950 106 HG1 THR 12 HG1 THR 12 -14.778 -1.889 3.110 107 1HG2 THR 12 HG21 THR 12 -14.449 -3.085 5.085 108 2HG2 THR 12 HG22 THR 12 -13.370 -2.242 6.197 109 3HG2 THR 12 HG23 THR 12 -12.740 -3.516 5.152 110 H LEU 13 HN LEU 13 -11.398 0.957 4.163 111 HA LEU 13 HA LEU 13 -10.895 1.492 7.074 112 1HB LEU 13 HB2 LEU 13 -9.017 0.436 4.939 113 2HB LEU 13 HB1 LEU 13 -8.480 0.982 6.528 114 HG LEU 13 HG LEU 13 -10.615 -1.131 6.188 115 1HD1 LEU 13 HD11 LEU 13 -7.626 -1.342 6.112 116 2HD1 LEU 13 HD12 LEU 13 -8.833 -2.257 5.209 117 3HD1 LEU 13 HD13 LEU 13 -8.546 -2.616 6.912 118 1HD2 LEU 13 HD21 LEU 13 -10.455 -1.398 8.472 119 2HD2 LEU 13 HD22 LEU 13 -9.982 0.298 8.377 120 3HD2 LEU 13 HD23 LEU 13 -8.748 -0.954 8.508 121 H LYS 14 HN LYS 14 -8.995 3.166 7.224 122 HA LYS 14 HA LYS 14 -8.784 5.059 4.977 123 1HB LYS 14 HB2 LYS 14 -10.681 5.313 7.224 124 2HB LYS 14 HB1 LYS 14 -9.693 6.749 6.958 125 1HG LYS 14 HG2 LYS 14 -10.343 6.251 4.409 126 2HG LYS 14 HG1 LYS 14 -11.740 5.500 5.182 127 1HD LYS 14 HD2 LYS 14 -11.866 7.702 6.567 128 2HD LYS 14 HD1 LYS 14 -10.844 8.373 5.295 129 1HE LYS 14 HE2 LYS 14 -12.489 7.932 3.606 130 2HE LYS 14 HE1 LYS 14 -13.442 6.920 4.709 131 1HZ LYS 14 HZ1 LYS 14 -14.333 9.182 4.576 132 2HZ LYS 14 HZ2 LYS 14 -12.846 9.805 5.111 133 3HZ LYS 14 HZ3 LYS 14 -13.779 8.826 6.139 134 H GLY 15 HN GLY 15 -6.810 6.082 5.133 135 1HA GLY 15 HA2 GLY 15 -5.363 7.382 6.839 136 2HA GLY 15 HA1 GLY 15 -5.344 5.856 7.723 137 H GLU 16 HN GLU 16 -3.108 5.483 7.504 138 HA GLU 16 HA GLU 16 -2.212 4.769 4.735 139 1HB GLU 16 HB2 GLU 16 -0.895 6.494 6.842 140 2HB GLU 16 HB1 GLU 16 0.029 5.770 5.525 141 1HG GLU 16 HG2 GLU 16 -0.989 7.074 3.905 142 2HG GLU 16 HG1 GLU 16 -2.472 7.264 4.841 143 H THR 17 HN THR 17 -0.026 3.488 4.967 144 HA THR 17 HA THR 17 0.151 1.891 7.464 145 HB THR 17 HB THR 17 -0.229 0.573 4.767 146 HG1 THR 17 HG1 THR 17 -2.255 1.024 4.927 147 1HG2 THR 17 HG21 THR 17 -0.425 -1.408 5.966 148 2HG2 THR 17 HG22 THR 17 -0.942 -0.585 7.438 149 3HG2 THR 17 HG23 THR 17 0.752 -0.537 6.950 150 H THR 18 HN THR 18 2.277 1.344 7.846 151 HA THR 18 HA THR 18 4.225 1.619 5.575 152 HB THR 18 HB THR 18 5.789 2.336 7.452 153 HG1 THR 18 HG1 THR 18 4.428 1.397 9.098 154 1HG2 THR 18 HG21 THR 18 4.449 4.567 7.793 155 2HG2 THR 18 HG22 THR 18 3.330 3.851 6.634 156 3HG2 THR 18 HG23 THR 18 5.011 4.130 6.180 157 H THR 19 HN THR 19 6.180 0.243 5.827 158 HA THR 19 HA THR 19 6.196 -1.930 7.779 159 HB THR 19 HB THR 19 4.392 -2.631 6.250 160 HG1 THR 19 HG1 THR 19 5.507 -4.341 6.970 161 1HG2 THR 19 HG21 THR 19 5.637 -1.319 4.294 162 2HG2 THR 19 HG22 THR 19 4.580 -2.687 3.947 163 3HG2 THR 19 HG23 THR 19 6.328 -2.913 3.989 164 H GLU 20 HN GLU 20 7.912 -3.665 6.881 165 HA GLU 20 HA GLU 20 10.232 -2.080 5.840 166 1HB GLU 20 HB2 GLU 20 9.769 -4.061 7.958 167 2HB GLU 20 HB1 GLU 20 11.162 -4.459 6.953 168 1HG GLU 20 HG2 GLU 20 12.226 -3.046 8.413 169 2HG GLU 20 HG1 GLU 20 11.618 -1.823 7.296 170 H ALA 21 HN ALA 21 10.732 -2.536 3.740 171 HA ALA 21 HA ALA 21 10.627 -5.358 2.794 172 1HB ALA 21 HB1 ALA 21 9.522 -3.285 0.970 173 2HB ALA 21 HB2 ALA 21 8.530 -3.689 2.372 174 3HB ALA 21 HB3 ALA 21 8.995 -4.948 1.228 175 H VAL 22 HN VAL 22 12.300 -5.786 1.348 176 HA VAL 22 HA VAL 22 14.515 -4.048 1.085 177 HB VAL 22 HB VAL 22 15.212 -5.713 -0.609 178 1HG1 VAL 22 HG11 VAL 22 13.802 -7.358 1.428 179 2HG1 VAL 22 HG12 VAL 22 14.921 -6.127 2.013 180 3HG1 VAL 22 HG13 VAL 22 15.493 -7.396 0.929 181 1HG2 VAL 22 HG21 VAL 22 12.285 -6.325 -0.562 182 2HG2 VAL 22 HG22 VAL 22 13.413 -7.653 -0.828 183 3HG2 VAL 22 HG23 VAL 22 13.395 -6.279 -1.930 184 H ASP 23 HN ASP 23 11.675 -4.475 -0.993 185 HA ASP 23 HA ASP 23 12.062 -1.891 -2.254 186 1HB ASP 23 HB2 ASP 23 12.484 -2.846 -4.548 187 2HB ASP 23 HB1 ASP 23 13.817 -3.089 -3.423 188 H ALA 24 HN ALA 24 10.543 -2.001 -4.442 189 HA ALA 24 HA ALA 24 7.880 -2.275 -3.573 190 1HB ALA 24 HB1 ALA 24 8.476 -2.688 -6.454 191 2HB ALA 24 HB2 ALA 24 9.164 -1.241 -5.718 192 3HB ALA 24 HB3 ALA 24 7.420 -1.503 -5.686 193 H ALA 25 HN ALA 25 10.055 -4.672 -4.933 194 HA ALA 25 HA ALA 25 8.188 -6.641 -5.806 195 1HB ALA 25 HB1 ALA 25 10.717 -7.446 -4.432 196 2HB ALA 25 HB2 ALA 25 10.858 -6.367 -5.821 197 3HB ALA 25 HB3 ALA 25 10.090 -7.944 -6.004 198 H THR 26 HN THR 26 9.227 -5.715 -2.582 199 HA THR 26 HA THR 26 7.719 -8.023 -1.408 200 HB THR 26 HB THR 26 9.766 -6.140 -0.190 201 HG1 THR 26 HG1 THR 26 10.708 -7.412 -1.772 202 1HG2 THR 26 HG21 THR 26 8.501 -7.057 1.579 203 2HG2 THR 26 HG22 THR 26 9.895 -8.130 1.453 204 3HG2 THR 26 HG23 THR 26 8.343 -8.617 0.771 205 H ALA 27 HN ALA 27 7.935 -4.520 -1.581 206 HA ALA 27 HA ALA 27 6.325 -3.774 0.645 207 1HB ALA 27 HB1 ALA 27 7.713 -2.496 -1.271 208 2HB ALA 27 HB2 ALA 27 6.458 -1.685 -0.335 209 3HB ALA 27 HB3 ALA 27 6.094 -2.307 -1.945 210 H GLU 28 HN GLU 28 5.267 -4.006 -2.776 211 HA GLU 28 HA GLU 28 2.465 -3.825 -2.264 212 1HB GLU 28 HB2 GLU 28 4.066 -3.845 -4.438 213 2HB GLU 28 HB1 GLU 28 3.466 -5.502 -4.519 214 1HG GLU 28 HG2 GLU 28 1.122 -4.432 -4.156 215 2HG GLU 28 HG1 GLU 28 1.905 -2.929 -4.644 216 H LYS 29 HN LYS 29 4.645 -6.630 -2.353 217 HA LYS 29 HA LYS 29 2.727 -8.727 -2.317 218 1HB LYS 29 HB2 LYS 29 5.203 -8.918 -2.611 219 2HB LYS 29 HB1 LYS 29 5.408 -8.549 -0.898 220 1HG LYS 29 HG2 LYS 29 4.168 -10.544 -0.268 221 2HG LYS 29 HG1 LYS 29 3.795 -10.887 -1.958 222 1HD LYS 29 HD2 LYS 29 5.922 -11.635 -2.422 223 2HD LYS 29 HD1 LYS 29 6.671 -10.559 -1.242 224 1HE LYS 29 HE2 LYS 29 5.930 -11.974 0.601 225 2HE LYS 29 HE1 LYS 29 5.022 -13.009 -0.519 226 1HZ LYS 29 HZ1 LYS 29 7.028 -13.581 -1.653 227 2HZ LYS 29 HZ2 LYS 29 7.284 -13.857 0.004 228 3HZ LYS 29 HZ3 LYS 29 7.936 -12.476 -0.742 229 H VAL 30 HN VAL 30 4.196 -6.950 0.419 230 HA VAL 30 HA VAL 30 2.616 -8.382 2.425 231 HB VAL 30 HB VAL 30 4.328 -5.870 2.501 232 1HG1 VAL 30 HG11 VAL 30 2.973 -5.790 4.450 233 2HG1 VAL 30 HG12 VAL 30 4.476 -6.545 4.985 234 3HG1 VAL 30 HG13 VAL 30 3.052 -7.538 4.675 235 1HG2 VAL 30 HG21 VAL 30 5.251 -8.272 1.869 236 2HG2 VAL 30 HG22 VAL 30 5.126 -8.541 3.607 237 3HG2 VAL 30 HG23 VAL 30 6.143 -7.240 2.987 238 H PHE 31 HN PHE 31 2.553 -5.109 0.980 239 HA PHE 31 HA PHE 31 0.321 -4.150 2.520 240 1HB PHE 31 HB2 PHE 31 1.746 -3.395 -0.015 241 2HB PHE 31 HB1 PHE 31 0.246 -2.569 0.400 242 HD1 PHE 31 HD1 PHE 31 0.319 -2.319 3.297 243 HD2 PHE 31 HD2 PHE 31 3.530 -1.965 0.463 244 HE1 PHE 31 HE1 PHE 31 1.561 -0.874 4.884 245 HE2 PHE 31 HE2 PHE 31 4.770 -0.519 2.051 246 HZ PHE 31 HZ PHE 31 3.785 0.025 4.261 247 H LYS 32 HN LYS 32 0.550 -5.919 -0.549 248 HA LYS 32 HA LYS 32 -2.187 -5.606 -1.372 249 1HB LYS 32 HB2 LYS 32 -0.348 -6.420 -2.816 250 2HB LYS 32 HB1 LYS 32 -0.187 -7.861 -1.813 251 1HG LYS 32 HG2 LYS 32 -1.514 -8.511 -3.696 252 2HG LYS 32 HG1 LYS 32 -2.635 -8.347 -2.344 253 1HD LYS 32 HD2 LYS 32 -2.704 -5.815 -3.287 254 2HD LYS 32 HD1 LYS 32 -2.358 -6.676 -4.786 255 1HE LYS 32 HE2 LYS 32 -4.294 -8.270 -4.051 256 2HE LYS 32 HE1 LYS 32 -4.762 -6.930 -2.985 257 1HZ LYS 32 HZ1 LYS 32 -4.617 -5.439 -4.916 258 2HZ LYS 32 HZ2 LYS 32 -5.802 -6.639 -5.125 259 3HZ LYS 32 HZ3 LYS 32 -4.304 -6.772 -5.917 260 H GLN 33 HN GLN 33 -0.524 -7.995 0.682 261 HA GLN 33 HA GLN 33 -2.752 -9.735 1.145 262 1HB GLN 33 HB2 GLN 33 -0.279 -10.107 1.613 263 2HB GLN 33 HB1 GLN 33 -0.475 -9.074 3.029 264 1HG GLN 33 HG2 GLN 33 -0.795 -11.232 3.908 265 2HG GLN 33 HG1 GLN 33 -2.445 -10.671 3.632 266 1HE2 GLN 33 HE21 GLN 33 -3.602 -11.547 1.741 267 2HE2 GLN 33 HE22 GLN 33 -3.074 -12.973 0.986 268 H TYR 34 HN TYR 34 -1.676 -6.769 2.621 269 HA TYR 34 HA TYR 34 -3.450 -6.749 4.901 270 1HB TYR 34 HB2 TYR 34 -1.664 -5.270 5.091 271 2HB TYR 34 HB1 TYR 34 -1.675 -4.873 3.378 272 HD1 TYR 34 HD1 TYR 34 -2.893 -2.983 2.554 273 HD2 TYR 34 HD2 TYR 34 -3.356 -4.259 6.623 274 HE1 TYR 34 HE1 TYR 34 -4.134 -0.896 3.057 275 HE2 TYR 34 HE2 TYR 34 -4.597 -2.167 7.139 276 HH TYR 34 HH TYR 34 -6.047 -0.356 5.136 277 H ALA 35 HN ALA 35 -3.594 -4.916 1.832 278 HA ALA 35 HA ALA 35 -6.262 -3.957 2.102 279 1HB ALA 35 HB1 ALA 35 -4.211 -4.323 -0.014 280 2HB ALA 35 HB2 ALA 35 -5.138 -2.881 0.414 281 3HB ALA 35 HB3 ALA 35 -5.870 -4.136 -0.587 282 H ASN 36 HN ASN 36 -5.027 -6.851 0.397 283 HA ASN 36 HA ASN 36 -7.449 -7.833 -0.648 284 1HB ASN 36 HB2 ASN 36 -5.091 -8.624 -1.064 285 2HB ASN 36 HB1 ASN 36 -5.153 -9.445 0.497 286 1HD2 ASN 36 HD21 ASN 36 -5.629 -9.984 -2.771 287 2HD2 ASN 36 HD22 ASN 36 -6.693 -11.304 -2.675 288 H ASP 37 HN ASP 37 -6.207 -7.948 2.636 289 HA ASP 37 HA ASP 37 -7.897 -10.034 3.672 290 1HB ASP 37 HB2 ASP 37 -5.819 -8.995 4.694 291 2HB ASP 37 HB1 ASP 37 -6.807 -7.592 5.105 292 H ASN 38 HN ASN 38 -8.228 -6.468 3.827 293 HA ASN 38 HA ASN 38 -10.952 -6.612 4.880 294 1HB ASN 38 HB2 ASN 38 -9.065 -4.470 3.894 295 2HB ASN 38 HB1 ASN 38 -10.731 -4.079 4.324 296 1HD2 ASN 38 HD21 ASN 38 -7.595 -5.017 5.622 297 2HD2 ASN 38 HD22 ASN 38 -8.024 -4.880 7.259 298 H GLY 39 HN GLY 39 -9.476 -5.735 1.743 299 1HA GLY 39 HA2 GLY 39 -10.743 -6.668 -0.257 300 2HA GLY 39 HA1 GLY 39 -12.186 -5.998 0.503 301 H ILE 40 HN ILE 40 -8.896 -4.706 -0.113 302 HA ILE 40 HA ILE 40 -10.179 -2.211 -1.139 303 HB ILE 40 HB ILE 40 -7.381 -2.865 -0.158 304 1HG1 ILE 40 HG12 ILE 40 -9.593 -1.177 1.054 305 2HG1 ILE 40 HG11 ILE 40 -9.187 -2.815 1.564 306 1HG2 ILE 40 HG21 ILE 40 -7.379 -0.209 -0.127 307 2HG2 ILE 40 HG22 ILE 40 -8.573 -0.410 -1.407 308 3HG2 ILE 40 HG23 ILE 40 -6.951 -1.080 -1.602 309 1HD1 ILE 40 HD11 ILE 40 -7.060 -0.685 1.501 310 2HD1 ILE 40 HD12 ILE 40 -7.118 -2.163 2.460 311 3HD1 ILE 40 HD13 ILE 40 -8.162 -0.801 2.873 312 H ASP 41 HN ASP 41 -10.530 -3.897 -3.093 313 HA ASP 41 HA ASP 41 -8.164 -4.177 -4.839 314 1HB ASP 41 HB2 ASP 41 -10.980 -5.111 -4.677 315 2HB ASP 41 HB1 ASP 41 -10.341 -4.919 -6.310 316 H GLY 42 HN GLY 42 -8.357 -1.547 -4.407 317 1HA GLY 42 HA2 GLY 42 -10.143 -0.222 -6.314 318 2HA GLY 42 HA1 GLY 42 -8.968 0.563 -5.256 319 H GLU 43 HN GLU 43 -7.797 1.755 -6.678 320 HA GLU 43 HA GLU 43 -6.541 0.349 -8.964 321 1HB GLU 43 HB2 GLU 43 -7.257 3.266 -8.534 322 2HB GLU 43 HB1 GLU 43 -6.446 2.640 -9.970 323 1HG GLU 43 HG2 GLU 43 -8.349 1.652 -10.784 324 2HG GLU 43 HG1 GLU 43 -8.965 1.273 -9.176 325 H TRP 44 HN TRP 44 -4.611 -0.288 -8.043 326 HA TRP 44 HA TRP 44 -3.173 1.259 -6.115 327 1HB TRP 44 HB2 TRP 44 -2.553 -1.130 -7.840 328 2HB TRP 44 HB1 TRP 44 -1.391 -0.481 -6.679 329 HD1 TRP 44 HD1 TRP 44 -5.045 -1.736 -6.766 330 HE1 TRP 44 HE1 TRP 44 -5.588 -2.768 -4.464 331 HE3 TRP 44 HE3 TRP 44 -0.681 -0.752 -4.300 332 HZ2 TRP 44 HZ2 TRP 44 -4.341 -3.109 -1.917 333 HZ3 TRP 44 HZ3 TRP 44 -0.388 -1.440 -1.938 334 HH2 TRP 44 HH2 TRP 44 -2.211 -2.623 -0.744 335 H THR 45 HN THR 45 -1.432 2.560 -6.334 336 HA THR 45 HA THR 45 -0.140 2.982 -8.957 337 HB THR 45 HB THR 45 -0.582 5.512 -8.544 338 HG1 THR 45 HG1 THR 45 -2.327 5.960 -7.286 339 1HG2 THR 45 HG21 THR 45 -1.626 3.945 -10.303 340 2HG2 THR 45 HG22 THR 45 -2.499 5.431 -9.931 341 3HG2 THR 45 HG23 THR 45 -3.033 3.898 -9.241 342 H TYR 46 HN TYR 46 2.006 3.350 -8.570 343 HA TYR 46 HA TYR 46 2.837 3.801 -5.743 344 1HB TYR 46 HB2 TYR 46 3.706 1.800 -6.711 345 2HB TYR 46 HB1 TYR 46 4.068 2.597 -8.237 346 HD1 TYR 46 HD1 TYR 46 5.993 4.165 -8.409 347 HD2 TYR 46 HD2 TYR 46 5.256 1.869 -4.854 348 HE1 TYR 46 HE1 TYR 46 8.310 4.602 -7.646 349 HE2 TYR 46 HE2 TYR 46 7.568 2.305 -4.093 350 HH TYR 46 HH TYR 46 9.974 3.520 -6.126 351 H ASP 47 HN ASP 47 4.053 5.595 -5.191 352 HA ASP 47 HA ASP 47 4.562 7.626 -7.333 353 1HB ASP 47 HB2 ASP 47 3.601 7.635 -4.529 354 2HB ASP 47 HB1 ASP 47 4.720 8.936 -4.936 355 H ASP 48 HN ASP 48 6.687 7.265 -7.951 356 HA ASP 48 HA ASP 48 8.783 6.273 -6.278 357 1HB ASP 48 HB2 ASP 48 10.213 7.061 -8.155 358 2HB ASP 48 HB1 ASP 48 8.778 6.218 -8.736 359 H ALA 49 HN ALA 49 7.426 9.473 -6.582 360 HA ALA 49 HA ALA 49 9.559 11.151 -5.874 361 1HB ALA 49 HB1 ALA 49 7.622 12.475 -4.765 362 2HB ALA 49 HB2 ALA 49 6.597 11.146 -5.308 363 3HB ALA 49 HB3 ALA 49 7.487 12.113 -6.485 364 H THR 50 HN THR 50 7.462 9.200 -3.759 365 HA THR 50 HA THR 50 9.505 9.395 -1.605 366 HB THR 50 HB THR 50 7.732 10.080 -0.001 367 HG1 THR 50 HG1 THR 50 6.168 10.285 -2.358 368 1HG2 THR 50 HG21 THR 50 7.765 11.954 -2.375 369 2HG2 THR 50 HG22 THR 50 9.145 11.752 -1.296 370 3HG2 THR 50 HG23 THR 50 7.620 12.377 -0.668 371 H LYS 51 HN LYS 51 8.145 7.295 -3.465 372 HA LYS 51 HA LYS 51 7.377 5.067 -3.289 373 1HB LYS 51 HB2 LYS 51 9.313 5.684 -1.194 374 2HB LYS 51 HB1 LYS 51 8.226 4.388 -0.696 375 1HG LYS 51 HG2 LYS 51 9.671 3.062 -1.855 376 2HG LYS 51 HG1 LYS 51 8.765 3.629 -3.258 377 1HD LYS 51 HD2 LYS 51 10.985 4.083 -3.873 378 2HD LYS 51 HD1 LYS 51 10.446 5.631 -3.221 379 1HE LYS 51 HE2 LYS 51 11.334 4.527 -0.933 380 2HE LYS 51 HE1 LYS 51 12.391 3.679 -2.080 381 1HZ LYS 51 HZ1 LYS 51 11.952 6.617 -1.954 382 2HZ LYS 51 HZ2 LYS 51 12.912 5.818 -3.105 383 3HZ LYS 51 HZ3 LYS 51 13.357 5.804 -1.465 384 H THR 52 HN THR 52 5.079 5.518 -3.200 385 HA THR 52 HA THR 52 3.884 4.965 -0.534 386 HB THR 52 HB THR 52 3.096 7.347 -2.235 387 HG1 THR 52 HG1 THR 52 5.067 7.844 -1.455 388 1HG2 THR 52 HG21 THR 52 2.235 7.911 0.237 389 2HG2 THR 52 HG22 THR 52 2.196 6.151 0.343 390 3HG2 THR 52 HG23 THR 52 1.258 6.981 -0.899 391 H PHE 53 HN PHE 53 2.962 3.019 -1.322 392 HA PHE 53 HA PHE 53 1.629 2.679 -3.841 393 1HB PHE 53 HB2 PHE 53 1.460 1.351 -1.125 394 2HB PHE 53 HB1 PHE 53 0.518 0.773 -2.497 395 HD1 PHE 53 HD1 PHE 53 1.628 -0.154 -4.485 396 HD2 PHE 53 HD2 PHE 53 3.851 1.081 -1.031 397 HE1 PHE 53 HE1 PHE 53 3.609 -1.401 -5.317 398 HE2 PHE 53 HE2 PHE 53 5.833 -0.162 -1.853 399 HZ PHE 53 HZ PHE 53 5.712 -1.404 -3.999 400 H THR 54 HN THR 54 -0.347 3.510 -4.485 401 HA THR 54 HA THR 54 -2.183 4.500 -2.315 402 HB THR 54 HB THR 54 -1.638 5.610 -5.083 403 HG1 THR 54 HG1 THR 54 -0.389 7.052 -4.067 404 1HG2 THR 54 HG21 THR 54 -3.335 7.078 -4.771 405 2HG2 THR 54 HG22 THR 54 -2.929 7.315 -3.072 406 3HG2 THR 54 HG23 THR 54 -3.915 5.937 -3.558 407 H VAL 55 HN VAL 55 -3.865 2.999 -2.265 408 HA VAL 55 HA VAL 55 -5.075 2.179 -4.839 409 HB VAL 55 HB VAL 55 -4.272 0.359 -3.305 410 1HG1 VAL 55 HG11 VAL 55 -4.832 1.657 -1.196 411 2HG1 VAL 55 HG12 VAL 55 -5.321 -0.041 -1.198 412 3HG1 VAL 55 HG13 VAL 55 -6.517 1.230 -1.502 413 1HG2 VAL 55 HG21 VAL 55 -6.241 -1.002 -3.483 414 2HG2 VAL 55 HG22 VAL 55 -6.220 0.078 -4.877 415 3HG2 VAL 55 HG23 VAL 55 -7.281 0.420 -3.511 416 H THR 56 HN THR 56 -7.537 1.991 -4.690 417 HA THR 56 HA THR 56 -8.896 3.686 -2.718 418 HB THR 56 HB THR 56 -8.585 4.436 -5.639 419 HG1 THR 56 HG1 THR 56 -7.210 5.892 -4.941 420 1HG2 THR 56 HG21 THR 56 -10.666 5.322 -5.267 421 2HG2 THR 56 HG22 THR 56 -9.736 6.597 -4.480 422 3HG2 THR 56 HG23 THR 56 -10.467 5.314 -3.515 423 H GLU 57 HN GLU 57 -10.593 2.276 -2.337 424 HA GLU 57 HA GLU 57 -11.761 0.673 -4.526 425 1HB GLU 57 HB2 GLU 57 -11.256 0.128 -1.972 426 2HB GLU 57 HB1 GLU 57 -12.855 0.835 -1.738 427 1HG GLU 57 HG2 GLU 57 -12.561 -1.157 -3.937 428 2HG GLU 57 HG1 GLU 57 -12.525 -1.771 -2.284 Start of MODEL 33 1 1H MET 1 HT1 MET 1 -17.314 3.969 2.429 2 2H MET 1 HT2 MET 1 -17.129 2.318 2.784 3 3H MET 1 HT3 MET 1 -17.068 2.856 1.174 4 HA MET 1 HA MET 1 -15.008 4.016 1.567 5 1HB MET 1 HB2 MET 1 -15.841 3.314 4.366 6 2HB MET 1 HB1 MET 1 -14.128 3.555 4.018 7 1HG MET 1 HG2 MET 1 -14.387 5.800 3.578 8 2HG MET 1 HG1 MET 1 -16.028 5.597 2.964 9 1HE MET 1 HE1 MET 1 -16.719 7.562 3.908 10 2HE MET 1 HE2 MET 1 -17.357 7.757 5.539 11 3HE MET 1 HE3 MET 1 -18.079 6.571 4.455 12 H THR 2 HN THR 2 -13.437 2.736 0.683 13 HA THR 2 HA THR 2 -13.513 -0.197 1.187 14 HB THR 2 HB THR 2 -12.029 1.513 -0.837 15 HG1 THR 2 HG1 THR 2 -14.389 -0.043 -1.053 16 1HG2 THR 2 HG21 THR 2 -10.900 -0.599 -0.570 17 2HG2 THR 2 HG22 THR 2 -11.854 -0.692 -2.051 18 3HG2 THR 2 HG23 THR 2 -12.431 -1.476 -0.580 19 H THR 3 HN THR 3 -12.219 -0.821 2.872 20 HA THR 3 HA THR 3 -9.885 0.708 3.682 21 HB THR 3 HB THR 3 -11.382 -0.330 5.317 22 HG1 THR 3 HG1 THR 3 -9.766 -0.888 6.550 23 1HG2 THR 3 HG21 THR 3 -10.610 -3.090 4.989 24 2HG2 THR 3 HG22 THR 3 -11.348 -2.501 3.500 25 3HG2 THR 3 HG23 THR 3 -12.229 -2.392 5.024 26 H PHE 4 HN PHE 4 -8.244 0.527 2.124 27 HA PHE 4 HA PHE 4 -7.551 -2.083 0.945 28 1HB PHE 4 HB2 PHE 4 -6.426 0.729 0.792 29 2HB PHE 4 HB1 PHE 4 -5.758 -0.623 -0.119 30 HD1 PHE 4 HD1 PHE 4 -8.511 1.755 0.180 31 HD2 PHE 4 HD2 PHE 4 -7.129 -1.766 -1.855 32 HE1 PHE 4 HE1 PHE 4 -10.236 2.090 -1.570 33 HE2 PHE 4 HE2 PHE 4 -8.856 -1.431 -3.605 34 HZ PHE 4 HZ PHE 4 -10.409 0.497 -3.462 35 H LYS 5 HN LYS 5 -5.131 -2.717 1.051 36 HA LYS 5 HA LYS 5 -3.897 -2.051 3.694 37 1HB LYS 5 HB2 LYS 5 -5.383 -4.156 3.636 38 2HB LYS 5 HB1 LYS 5 -4.135 -4.864 2.611 39 1HG LYS 5 HG2 LYS 5 -2.728 -5.180 4.356 40 2HG LYS 5 HG1 LYS 5 -3.030 -3.568 5.001 41 1HD LYS 5 HD2 LYS 5 -4.659 -4.296 6.421 42 2HD LYS 5 HD1 LYS 5 -5.291 -5.463 5.259 43 1HE LYS 5 HE2 LYS 5 -3.194 -6.861 5.715 44 2HE LYS 5 HE1 LYS 5 -2.903 -5.786 7.097 45 1HZ LYS 5 HZ1 LYS 5 -5.514 -7.106 6.606 46 2HZ LYS 5 HZ2 LYS 5 -4.999 -6.308 8.015 47 3HZ LYS 5 HZ3 LYS 5 -4.311 -7.800 7.579 48 H LEU 6 HN LEU 6 -1.893 -1.276 3.151 49 HA LEU 6 HA LEU 6 -0.510 -2.286 0.719 50 1HB LEU 6 HB2 LEU 6 -0.911 0.187 1.611 51 2HB LEU 6 HB1 LEU 6 0.517 -0.159 2.571 52 HG LEU 6 HG LEU 6 0.274 0.420 -0.317 53 1HD1 LEU 6 HD11 LEU 6 2.840 0.827 0.265 54 2HD1 LEU 6 HD12 LEU 6 2.230 0.746 1.917 55 3HD1 LEU 6 HD13 LEU 6 1.587 1.947 0.797 56 1HD2 LEU 6 HD21 LEU 6 2.338 -0.958 -0.881 57 2HD2 LEU 6 HD22 LEU 6 0.859 -1.896 -0.679 58 3HD2 LEU 6 HD23 LEU 6 2.059 -1.857 0.613 59 H ILE 7 HN ILE 7 0.771 -4.084 1.096 60 HA ILE 7 HA ILE 7 1.797 -4.818 3.685 61 HB ILE 7 HB ILE 7 1.372 -6.106 1.368 62 1HG1 ILE 7 HG12 ILE 7 3.081 -7.847 2.241 63 2HG1 ILE 7 HG11 ILE 7 3.352 -6.699 3.551 64 1HG2 ILE 7 HG21 ILE 7 4.376 -5.838 1.276 65 2HG2 ILE 7 HG22 ILE 7 3.326 -4.809 0.305 66 3HG2 ILE 7 HG23 ILE 7 3.302 -6.556 0.076 67 1HD1 ILE 7 HD11 ILE 7 0.847 -8.206 2.849 68 2HD1 ILE 7 HD12 ILE 7 0.741 -6.681 3.729 69 3HD1 ILE 7 HD13 ILE 7 1.635 -8.036 4.418 70 H ILE 8 HN ILE 8 4.293 -5.014 4.035 71 HA ILE 8 HA ILE 8 5.682 -2.618 2.887 72 HB ILE 8 HB ILE 8 5.629 -3.592 5.765 73 1HG1 ILE 8 HG12 ILE 8 4.529 -1.044 4.538 74 2HG1 ILE 8 HG11 ILE 8 3.547 -2.450 4.951 75 1HG2 ILE 8 HG21 ILE 8 7.158 -1.921 6.304 76 2HG2 ILE 8 HG22 ILE 8 6.776 -0.967 4.871 77 3HG2 ILE 8 HG23 ILE 8 7.761 -2.421 4.725 78 1HD1 ILE 8 HD11 ILE 8 3.667 -2.041 7.197 79 2HD1 ILE 8 HD12 ILE 8 3.989 -0.391 6.664 80 3HD1 ILE 8 HD13 ILE 8 5.327 -1.452 7.105 81 H ASN 9 HN ASN 9 6.519 -4.501 1.477 82 HA ASN 9 HA ASN 9 8.526 -6.218 2.841 83 1HB ASN 9 HB2 ASN 9 6.835 -6.320 0.493 84 2HB ASN 9 HB1 ASN 9 8.513 -6.564 0.012 85 1HD2 ASN 9 HD21 ASN 9 5.965 -8.410 0.603 86 2HD2 ASN 9 HD22 ASN 9 6.665 -9.700 1.457 87 H GLY 10 HN GLY 10 9.185 -3.550 3.010 88 1HA GLY 10 HA2 GLY 10 11.229 -3.125 0.878 89 2HA GLY 10 HA1 GLY 10 10.520 -1.833 1.850 90 H LYS 11 HN LYS 11 13.339 -2.373 1.560 91 HA LYS 11 HA LYS 11 14.337 -3.721 3.938 92 1HB LYS 11 HB2 LYS 11 15.539 -3.406 1.754 93 2HB LYS 11 HB1 LYS 11 15.652 -1.682 2.113 94 1HG LYS 11 HG2 LYS 11 17.030 -2.070 4.024 95 2HG LYS 11 HG1 LYS 11 16.689 -3.801 4.005 96 1HD LYS 11 HD2 LYS 11 17.911 -2.597 1.558 97 2HD LYS 11 HD1 LYS 11 18.945 -2.824 2.968 98 1HE LYS 11 HE2 LYS 11 18.771 -5.144 2.894 99 2HE LYS 11 HE1 LYS 11 17.186 -5.099 2.094 100 1HZ LYS 11 HZ1 LYS 11 18.173 -4.343 0.090 101 2HZ LYS 11 HZ2 LYS 11 19.088 -5.682 0.597 102 3HZ LYS 11 HZ3 LYS 11 19.681 -4.107 0.830 103 H THR 12 HN THR 12 12.769 -0.723 3.517 104 HA THR 12 HA THR 12 14.277 0.659 5.664 105 HB THR 12 HB THR 12 11.870 1.502 4.019 106 HG1 THR 12 HG1 THR 12 13.276 2.242 2.558 107 1HG2 THR 12 HG21 THR 12 12.445 3.739 4.674 108 2HG2 THR 12 HG22 THR 12 13.953 3.197 5.411 109 3HG2 THR 12 HG23 THR 12 12.408 2.768 6.147 110 H LEU 13 HN LEU 13 11.153 -0.910 5.057 111 HA LEU 13 HA LEU 13 10.612 -0.834 7.988 112 1HB LEU 13 HB2 LEU 13 9.367 0.821 5.965 113 2HB LEU 13 HB1 LEU 13 8.158 -0.243 6.681 114 HG LEU 13 HG LEU 13 10.096 1.309 8.397 115 1HD1 LEU 13 HD11 LEU 13 7.415 2.190 7.291 116 2HD1 LEU 13 HD12 LEU 13 8.971 2.992 7.076 117 3HD1 LEU 13 HD13 LEU 13 8.206 2.962 8.665 118 1HD2 LEU 13 HD21 LEU 13 7.444 -0.091 8.786 119 2HD2 LEU 13 HD22 LEU 13 8.066 1.065 9.964 120 3HD2 LEU 13 HD23 LEU 13 8.973 -0.405 9.607 121 H LYS 14 HN LYS 14 8.784 -2.319 8.559 122 HA LYS 14 HA LYS 14 8.152 -4.389 6.508 123 1HB LYS 14 HB2 LYS 14 9.825 -4.618 8.967 124 2HB LYS 14 HB1 LYS 14 8.749 -5.968 8.603 125 1HG LYS 14 HG2 LYS 14 9.713 -6.163 6.356 126 2HG LYS 14 HG1 LYS 14 10.759 -4.777 6.669 127 1HD LYS 14 HD2 LYS 14 10.799 -7.200 8.466 128 2HD LYS 14 HD1 LYS 14 11.776 -7.132 6.999 129 1HE LYS 14 HE2 LYS 14 12.936 -5.147 7.786 130 2HE LYS 14 HE1 LYS 14 11.861 -5.032 9.194 131 1HZ LYS 14 HZ1 LYS 14 13.501 -7.426 8.572 132 2HZ LYS 14 HZ2 LYS 14 12.618 -7.122 9.991 133 3HZ LYS 14 HZ3 LYS 14 14.004 -6.206 9.636 134 H GLY 15 HN GLY 15 6.102 -5.274 6.818 135 1HA GLY 15 HA2 GLY 15 4.474 -5.975 8.703 136 2HA GLY 15 HA1 GLY 15 4.571 -4.279 9.179 137 H GLU 16 HN GLU 16 2.416 -3.741 8.736 138 HA GLU 16 HA GLU 16 1.718 -3.572 5.840 139 1HB GLU 16 HB2 GLU 16 0.040 -4.782 8.062 140 2HB GLU 16 HB1 GLU 16 -0.549 -4.466 6.429 141 1HG GLU 16 HG2 GLU 16 1.294 -5.925 5.548 142 2HG GLU 16 HG1 GLU 16 1.702 -6.337 7.214 143 H THR 17 HN THR 17 -0.085 -2.018 5.483 144 HA THR 17 HA THR 17 -0.551 -0.122 7.751 145 HB THR 17 HB THR 17 0.069 0.778 4.935 146 HG1 THR 17 HG1 THR 17 2.053 0.233 5.248 147 1HG2 THR 17 HG21 THR 17 -0.718 2.613 6.098 148 2HG2 THR 17 HG22 THR 17 0.994 2.709 6.510 149 3HG2 THR 17 HG23 THR 17 -0.149 2.003 7.652 150 H THR 18 HN THR 18 -2.621 0.813 7.713 151 HA THR 18 HA THR 18 -4.404 0.059 5.418 152 HB THR 18 HB THR 18 -6.160 -0.216 7.205 153 HG1 THR 18 HG1 THR 18 -5.644 0.548 9.072 154 1HG2 THR 18 HG21 THR 18 -4.989 -2.298 8.239 155 2HG2 THR 18 HG22 THR 18 -3.651 -1.877 7.170 156 3HG2 THR 18 HG23 THR 18 -5.236 -2.252 6.493 157 H THR 19 HN THR 19 -6.106 1.593 4.972 158 HA THR 19 HA THR 19 -6.242 4.116 6.483 159 HB THR 19 HB THR 19 -4.239 4.386 5.067 160 HG1 THR 19 HG1 THR 19 -5.590 6.185 5.373 161 1HG2 THR 19 HG21 THR 19 -5.461 2.764 3.282 162 2HG2 THR 19 HG22 THR 19 -4.149 3.857 2.842 163 3HG2 THR 19 HG23 THR 19 -5.824 4.329 2.556 164 H GLU 20 HN GLU 20 -8.057 5.437 5.766 165 HA GLU 20 HA GLU 20 -10.219 3.859 4.529 166 1HB GLU 20 HB2 GLU 20 -10.260 5.440 6.597 167 2HB GLU 20 HB1 GLU 20 -10.315 6.744 5.410 168 1HG GLU 20 HG2 GLU 20 -12.593 6.235 5.936 169 2HG GLU 20 HG1 GLU 20 -12.287 5.524 4.351 170 H ALA 21 HN ALA 21 -10.626 3.960 2.357 171 HA ALA 21 HA ALA 21 -10.175 6.517 0.898 172 1HB ALA 21 HB1 ALA 21 -8.629 5.577 -0.590 173 2HB ALA 21 HB2 ALA 21 -9.160 3.929 -0.251 174 3HB ALA 21 HB3 ALA 21 -8.176 4.799 0.926 175 H VAL 22 HN VAL 22 -11.589 6.753 -0.865 176 HA VAL 22 HA VAL 22 -14.037 5.300 -0.906 177 HB VAL 22 HB VAL 22 -13.699 7.584 -1.778 178 1HG1 VAL 22 HG11 VAL 22 -12.343 8.100 -3.602 179 2HG1 VAL 22 HG12 VAL 22 -12.403 6.458 -4.241 180 3HG1 VAL 22 HG13 VAL 22 -11.406 6.820 -2.834 181 1HG2 VAL 22 HG21 VAL 22 -15.638 6.497 -2.650 182 2HG2 VAL 22 HG22 VAL 22 -14.677 5.498 -3.740 183 3HG2 VAL 22 HG23 VAL 22 -14.841 7.227 -4.043 184 H ASP 23 HN ASP 23 -11.049 4.862 -2.775 185 HA ASP 23 HA ASP 23 -11.655 2.084 -3.333 186 1HB ASP 23 HB2 ASP 23 -11.899 2.392 -5.809 187 2HB ASP 23 HB1 ASP 23 -13.222 3.110 -4.894 188 H ALA 24 HN ALA 24 -10.075 1.595 -5.502 189 HA ALA 24 HA ALA 24 -7.438 1.687 -4.529 190 1HB ALA 24 HB1 ALA 24 -8.724 0.405 -6.491 191 2HB ALA 24 HB2 ALA 24 -6.967 0.549 -6.484 192 3HB ALA 24 HB3 ALA 24 -7.937 1.642 -7.471 193 H ALA 25 HN ALA 25 -9.140 3.988 -6.623 194 HA ALA 25 HA ALA 25 -6.980 5.506 -7.627 195 1HB ALA 25 HB1 ALA 25 -8.646 7.037 -8.181 196 2HB ALA 25 HB2 ALA 25 -9.485 6.833 -6.643 197 3HB ALA 25 HB3 ALA 25 -9.615 5.593 -7.890 198 H THR 26 HN THR 26 -8.757 5.994 -4.551 199 HA THR 26 HA THR 26 -6.875 8.094 -3.691 200 HB THR 26 HB THR 26 -9.105 6.697 -2.181 201 HG1 THR 26 HG1 THR 26 -9.232 9.031 -3.782 202 1HG2 THR 26 HG21 THR 26 -7.547 8.128 -0.865 203 2HG2 THR 26 HG22 THR 26 -9.187 8.775 -0.906 204 3HG2 THR 26 HG23 THR 26 -7.936 9.481 -1.928 205 H ALA 27 HN ALA 27 -7.416 4.660 -3.154 206 HA ALA 27 HA ALA 27 -5.980 4.287 -0.718 207 1HB ALA 27 HB1 ALA 27 -7.441 2.727 -2.285 208 2HB ALA 27 HB2 ALA 27 -6.190 2.025 -1.259 209 3HB ALA 27 HB3 ALA 27 -5.873 2.304 -2.971 210 H GLU 28 HN GLU 28 -4.780 3.644 -4.036 211 HA GLU 28 HA GLU 28 -2.029 3.342 -3.339 212 1HB GLU 28 HB2 GLU 28 -3.328 2.781 -5.494 213 2HB GLU 28 HB1 GLU 28 -3.088 4.472 -5.939 214 1HG GLU 28 HG2 GLU 28 -0.574 3.977 -5.345 215 2HG GLU 28 HG1 GLU 28 -1.044 2.297 -5.604 216 H LYS 29 HN LYS 29 -3.885 6.245 -4.266 217 HA LYS 29 HA LYS 29 -1.765 8.098 -4.556 218 1HB LYS 29 HB2 LYS 29 -4.342 8.257 -4.890 219 2HB LYS 29 HB1 LYS 29 -4.372 8.759 -3.200 220 1HG LYS 29 HG2 LYS 29 -2.882 10.618 -3.671 221 2HG LYS 29 HG1 LYS 29 -2.666 10.071 -5.335 222 1HD LYS 29 HD2 LYS 29 -5.371 10.234 -5.250 223 2HD LYS 29 HD1 LYS 29 -4.955 11.501 -4.096 224 1HE LYS 29 HE2 LYS 29 -4.083 12.862 -5.717 225 2HE LYS 29 HE1 LYS 29 -3.354 11.503 -6.596 226 1HZ LYS 29 HZ1 LYS 29 -5.649 10.819 -7.209 227 2HZ LYS 29 HZ2 LYS 29 -5.176 12.303 -7.888 228 3HZ LYS 29 HZ3 LYS 29 -6.222 12.273 -6.550 229 H VAL 30 HN VAL 30 -3.442 7.035 -1.597 230 HA VAL 30 HA VAL 30 -1.867 8.804 0.138 231 HB VAL 30 HB VAL 30 -3.781 6.500 0.660 232 1HG1 VAL 30 HG11 VAL 30 -2.475 6.798 2.643 233 2HG1 VAL 30 HG12 VAL 30 -3.985 7.667 2.923 234 3HG1 VAL 30 HG13 VAL 30 -2.523 8.555 2.492 235 1HG2 VAL 30 HG21 VAL 30 -4.560 8.652 -0.568 236 2HG2 VAL 30 HG22 VAL 30 -4.332 9.449 0.989 237 3HG2 VAL 30 HG23 VAL 30 -5.487 8.125 0.837 238 H PHE 31 HN PHE 31 -2.062 5.272 -0.440 239 HA PHE 31 HA PHE 31 0.050 4.544 1.359 240 1HB PHE 31 HB2 PHE 31 -1.369 3.326 -0.990 241 2HB PHE 31 HB1 PHE 31 0.050 2.509 -0.338 242 HD1 PHE 31 HD1 PHE 31 -3.282 2.209 -0.260 243 HD2 PHE 31 HD2 PHE 31 -0.092 2.927 2.527 244 HE1 PHE 31 HE1 PHE 31 -4.667 1.272 1.570 245 HE2 PHE 31 HE2 PHE 31 -1.478 1.989 4.356 246 HZ PHE 31 HZ PHE 31 -3.766 1.161 3.877 247 H LYS 32 HN LYS 32 0.051 5.499 -2.059 248 HA LYS 32 HA LYS 32 2.772 4.804 -2.655 249 1HB LYS 32 HB2 LYS 32 1.022 5.362 -4.321 250 2HB LYS 32 HB1 LYS 32 0.989 7.025 -3.732 251 1HG LYS 32 HG2 LYS 32 3.654 5.953 -4.503 252 2HG LYS 32 HG1 LYS 32 2.517 6.243 -5.820 253 1HD LYS 32 HD2 LYS 32 2.183 8.523 -4.358 254 2HD LYS 32 HD1 LYS 32 3.885 8.180 -4.048 255 1HE LYS 32 HE2 LYS 32 4.076 9.397 -6.027 256 2HE LYS 32 HE1 LYS 32 3.888 7.766 -6.702 257 1HZ LYS 32 HZ1 LYS 32 1.558 8.082 -6.917 258 2HZ LYS 32 HZ2 LYS 32 2.297 9.446 -7.610 259 3HZ LYS 32 HZ3 LYS 32 1.601 9.547 -6.063 260 H GLN 33 HN GLN 33 1.274 7.812 -1.432 261 HA GLN 33 HA GLN 33 3.638 9.408 -1.301 262 1HB GLN 33 HB2 GLN 33 1.290 10.210 -1.091 263 2HB GLN 33 HB1 GLN 33 1.176 9.401 0.473 264 1HG GLN 33 HG2 GLN 33 1.751 11.550 1.145 265 2HG GLN 33 HG1 GLN 33 3.348 10.814 1.006 266 1HE2 GLN 33 HE21 GLN 33 4.749 11.566 -0.678 267 2HE2 GLN 33 HE22 GLN 33 4.340 12.849 -1.712 268 H TYR 34 HN TYR 34 2.299 7.001 0.829 269 HA TYR 34 HA TYR 34 4.011 7.475 3.115 270 1HB TYR 34 HB2 TYR 34 2.098 6.263 3.631 271 2HB TYR 34 HB1 TYR 34 2.090 5.417 2.089 272 HD1 TYR 34 HD1 TYR 34 3.686 5.564 5.432 273 HD2 TYR 34 HD2 TYR 34 3.109 3.267 1.857 274 HE1 TYR 34 HE1 TYR 34 4.712 3.588 6.538 275 HE2 TYR 34 HE2 TYR 34 4.132 1.290 2.950 276 HH TYR 34 HH TYR 34 5.859 0.989 4.952 277 H ALA 35 HN ALA 35 4.066 4.952 0.573 278 HA ALA 35 HA ALA 35 6.642 3.882 1.264 279 1HB ALA 35 HB1 ALA 35 6.304 3.260 -1.359 280 2HB ALA 35 HB2 ALA 35 4.657 3.739 -0.944 281 3HB ALA 35 HB3 ALA 35 5.447 2.431 -0.058 282 H ASN 36 HN ASN 36 5.635 6.272 -1.197 283 HA ASN 36 HA ASN 36 8.113 6.718 -2.457 284 1HB ASN 36 HB2 ASN 36 5.776 7.570 -3.026 285 2HB ASN 36 HB1 ASN 36 6.039 8.827 -1.816 286 1HD2 ASN 36 HD21 ASN 36 7.622 7.438 -4.746 287 2HD2 ASN 36 HD22 ASN 36 8.283 8.912 -5.266 288 H ASP 37 HN ASP 37 6.877 7.943 0.612 289 HA ASP 37 HA ASP 37 8.912 9.961 1.035 290 1HB ASP 37 HB2 ASP 37 6.593 9.645 2.118 291 2HB ASP 37 HB1 ASP 37 7.367 8.436 3.143 292 H ASN 38 HN ASN 38 8.475 6.673 2.399 293 HA ASN 38 HA ASN 38 11.044 6.599 3.721 294 1HB ASN 38 HB2 ASN 38 8.788 4.781 3.064 295 2HB ASN 38 HB1 ASN 38 10.337 3.994 3.366 296 1HD2 ASN 38 HD21 ASN 38 7.593 5.287 4.912 297 2HD2 ASN 38 HD22 ASN 38 8.231 5.403 6.481 298 H GLY 39 HN GLY 39 9.863 5.382 0.585 299 1HA GLY 39 HA2 GLY 39 11.460 5.557 -1.334 300 2HA GLY 39 HA1 GLY 39 12.716 4.996 -0.231 301 H ILE 40 HN ILE 40 9.390 3.770 -0.680 302 HA ILE 40 HA ILE 40 10.528 1.045 -1.017 303 HB ILE 40 HB ILE 40 7.725 2.102 -0.521 304 1HG1 ILE 40 HG12 ILE 40 9.689 0.648 1.282 305 2HG1 ILE 40 HG11 ILE 40 9.368 2.381 1.335 306 1HG2 ILE 40 HG21 ILE 40 7.506 -0.462 0.167 307 2HG2 ILE 40 HG22 ILE 40 8.805 -0.656 -1.008 308 3HG2 ILE 40 HG23 ILE 40 7.258 0.038 -1.509 309 1HD1 ILE 40 HD11 ILE 40 8.049 0.546 2.861 310 2HD1 ILE 40 HD12 ILE 40 6.962 0.662 1.475 311 3HD1 ILE 40 HD13 ILE 40 7.370 2.107 2.400 312 H ASP 41 HN ASP 41 11.191 2.143 -3.277 313 HA ASP 41 HA ASP 41 9.034 2.173 -5.283 314 1HB ASP 41 HB2 ASP 41 11.462 3.404 -4.980 315 2HB ASP 41 HB1 ASP 41 11.887 2.100 -6.089 316 H GLY 42 HN GLY 42 8.792 -0.257 -4.249 317 1HA GLY 42 HA2 GLY 42 10.549 -2.209 -5.576 318 2HA GLY 42 HA1 GLY 42 9.221 -2.577 -4.471 319 H GLU 43 HN GLU 43 8.012 -3.962 -5.670 320 HA GLU 43 HA GLU 43 7.026 -3.013 -8.297 321 1HB GLU 43 HB2 GLU 43 6.820 -5.445 -8.850 322 2HB GLU 43 HB1 GLU 43 8.480 -4.972 -8.499 323 1HG GLU 43 HG2 GLU 43 7.246 -5.714 -6.022 324 2HG GLU 43 HG1 GLU 43 6.887 -6.973 -7.199 325 H TRP 44 HN TRP 44 5.116 -2.090 -7.669 326 HA TRP 44 HA TRP 44 3.463 -3.051 -5.559 327 1HB TRP 44 HB2 TRP 44 3.111 -1.126 -7.846 328 2HB TRP 44 HB1 TRP 44 1.839 -1.408 -6.652 329 HD1 TRP 44 HD1 TRP 44 5.560 -0.382 -6.788 330 HE1 TRP 44 HE1 TRP 44 6.048 1.121 -4.749 331 HE3 TRP 44 HE3 TRP 44 1.032 -0.585 -4.434 332 HZ2 TRP 44 HZ2 TRP 44 4.697 2.092 -2.431 333 HZ3 TRP 44 HZ3 TRP 44 0.663 0.639 -2.311 334 HH2 TRP 44 HH2 TRP 44 2.489 1.984 -1.311 335 H THR 45 HN THR 45 1.647 -4.249 -5.558 336 HA THR 45 HA THR 45 0.441 -5.242 -8.067 337 HB THR 45 HB THR 45 0.619 -7.598 -6.932 338 HG1 THR 45 HG1 THR 45 2.531 -7.759 -5.684 339 1HG2 THR 45 HG21 THR 45 3.035 -6.242 -8.159 340 2HG2 THR 45 HG22 THR 45 1.717 -7.009 -9.045 341 3HG2 THR 45 HG23 THR 45 2.795 -7.985 -8.046 342 H TYR 46 HN TYR 46 -1.744 -5.317 -7.742 343 HA TYR 46 HA TYR 46 -2.735 -4.978 -4.945 344 1HB TYR 46 HB2 TYR 46 -3.298 -3.162 -6.383 345 2HB TYR 46 HB1 TYR 46 -3.690 -4.232 -7.722 346 HD1 TYR 46 HD1 TYR 46 -4.903 -2.744 -4.577 347 HD2 TYR 46 HD2 TYR 46 -5.821 -5.441 -7.792 348 HE1 TYR 46 HE1 TYR 46 -7.286 -2.709 -3.923 349 HE2 TYR 46 HE2 TYR 46 -8.209 -5.412 -7.132 350 HH TYR 46 HH TYR 46 -9.547 -4.948 -5.096 351 H ASP 47 HN ASP 47 -4.064 -6.535 -4.064 352 HA ASP 47 HA ASP 47 -4.791 -8.887 -5.766 353 1HB ASP 47 HB2 ASP 47 -4.122 -8.397 -2.880 354 2HB ASP 47 HB1 ASP 47 -5.121 -9.791 -3.294 355 H ASP 48 HN ASP 48 -6.871 -8.635 -6.508 356 HA ASP 48 HA ASP 48 -8.890 -7.021 -5.244 357 1HB ASP 48 HB2 ASP 48 -10.337 -8.096 -6.956 358 2HB ASP 48 HB1 ASP 48 -8.802 -7.567 -7.643 359 H ALA 49 HN ALA 49 -7.916 -10.362 -4.821 360 HA ALA 49 HA ALA 49 -10.212 -11.587 -3.795 361 1HB ALA 49 HB1 ALA 49 -8.503 -12.914 -2.449 362 2HB ALA 49 HB2 ALA 49 -7.287 -11.786 -3.046 363 3HB ALA 49 HB3 ALA 49 -8.177 -12.803 -4.178 364 H THR 50 HN THR 50 -7.960 -9.393 -2.137 365 HA THR 50 HA THR 50 -9.995 -8.992 0.001 366 HB THR 50 HB THR 50 -8.216 -9.339 1.707 367 HG1 THR 50 HG1 THR 50 -6.227 -9.942 1.100 368 1HG2 THR 50 HG21 THR 50 -8.383 -11.714 -0.158 369 2HG2 THR 50 HG22 THR 50 -9.718 -11.208 0.876 370 3HG2 THR 50 HG23 THR 50 -8.197 -11.735 1.596 371 H LYS 51 HN LYS 51 -8.426 -7.460 -2.303 372 HA LYS 51 HA LYS 51 -7.556 -5.287 -2.619 373 1HB LYS 51 HB2 LYS 51 -9.733 -5.309 -0.718 374 2HB LYS 51 HB1 LYS 51 -8.603 -4.027 -0.287 375 1HG LYS 51 HG2 LYS 51 -9.764 -2.833 -1.845 376 2HG LYS 51 HG1 LYS 51 -8.715 -3.683 -2.982 377 1HD LYS 51 HD2 LYS 51 -10.998 -3.942 -3.745 378 2HD LYS 51 HD1 LYS 51 -10.461 -5.498 -3.112 379 1HE LYS 51 HE2 LYS 51 -11.847 -5.376 -1.258 380 2HE LYS 51 HE1 LYS 51 -11.805 -3.602 -1.217 381 1HZ LYS 51 HZ1 LYS 51 -13.145 -3.496 -3.167 382 2HZ LYS 51 HZ2 LYS 51 -13.929 -4.540 -2.080 383 3HZ LYS 51 HZ3 LYS 51 -13.065 -5.174 -3.398 384 H THR 52 HN THR 52 -5.301 -5.706 -2.234 385 HA THR 52 HA THR 52 -4.269 -4.518 0.272 386 HB THR 52 HB THR 52 -3.706 -7.377 -0.578 387 HG1 THR 52 HG1 THR 52 -4.962 -7.926 1.137 388 1HG2 THR 52 HG21 THR 52 -2.093 -7.483 1.029 389 2HG2 THR 52 HG22 THR 52 -2.956 -6.389 2.110 390 3HG2 THR 52 HG23 THR 52 -2.007 -5.741 0.772 391 H PHE 53 HN PHE 53 -3.012 -2.985 -0.823 392 HA PHE 53 HA PHE 53 -1.566 -3.417 -3.266 393 1HB PHE 53 HB2 PHE 53 -1.238 -1.501 -0.935 394 2HB PHE 53 HB1 PHE 53 -0.309 -1.363 -2.426 395 HD1 PHE 53 HD1 PHE 53 -1.363 -0.705 -4.512 396 HD2 PHE 53 HD2 PHE 53 -3.646 -1.093 -0.901 397 HE1 PHE 53 HE1 PHE 53 -3.250 0.503 -5.580 398 HE2 PHE 53 HE2 PHE 53 -5.538 0.114 -1.962 399 HZ PHE 53 HZ PHE 53 -5.338 0.913 -4.304 400 H THR 54 HN THR 54 0.395 -4.467 -3.592 401 HA THR 54 HA THR 54 1.981 -5.167 -1.131 402 HB THR 54 HB THR 54 1.437 -6.812 -3.618 403 HG1 THR 54 HG1 THR 54 -0.316 -7.250 -2.584 404 1HG2 THR 54 HG21 THR 54 2.430 -8.100 -1.159 405 2HG2 THR 54 HG22 THR 54 3.593 -7.030 -1.942 406 3HG2 THR 54 HG23 THR 54 2.890 -8.376 -2.839 407 H VAL 55 HN VAL 55 3.792 -3.798 -1.329 408 HA VAL 55 HA VAL 55 5.202 -3.766 -3.930 409 HB VAL 55 HB VAL 55 4.496 -1.567 -2.923 410 1HG1 VAL 55 HG11 VAL 55 5.519 -0.737 -0.938 411 2HG1 VAL 55 HG12 VAL 55 6.622 -2.122 -0.867 412 3HG1 VAL 55 HG13 VAL 55 4.902 -2.346 -0.538 413 1HG2 VAL 55 HG21 VAL 55 7.496 -1.896 -2.975 414 2HG2 VAL 55 HG22 VAL 55 6.566 -0.455 -3.385 415 3HG2 VAL 55 HG23 VAL 55 6.504 -1.871 -4.434 416 H THR 56 HN THR 56 7.650 -3.766 -3.693 417 HA THR 56 HA THR 56 8.800 -4.988 -1.285 418 HB THR 56 HB THR 56 8.444 -6.477 -3.903 419 HG1 THR 56 HG1 THR 56 6.855 -7.423 -2.931 420 1HG2 THR 56 HG21 THR 56 10.547 -6.730 -2.073 421 2HG2 THR 56 HG22 THR 56 10.071 -7.919 -3.286 422 3HG2 THR 56 HG23 THR 56 9.436 -8.031 -1.645 423 H GLU 57 HN GLU 57 10.737 -3.865 -1.208 424 HA GLU 57 HA GLU 57 12.016 -2.857 -3.661 425 1HB GLU 57 HB2 GLU 57 12.269 -2.582 -0.708 426 2HB GLU 57 HB1 GLU 57 13.729 -2.286 -1.650 427 1HG GLU 57 HG2 GLU 57 11.929 -0.897 -3.129 428 2HG GLU 57 HG1 GLU 57 11.207 -0.731 -1.529 Start of MODEL 34 1 1H MET 1 HT1 MET 1 17.670 -1.199 4.456 2 2H MET 1 HT2 MET 1 16.749 0.224 4.572 3 3H MET 1 HT3 MET 1 17.713 -0.058 3.201 4 HA MET 1 HA MET 1 16.322 -1.904 2.533 5 1HB MET 1 HB2 MET 1 15.204 -1.285 5.263 6 2HB MET 1 HB1 MET 1 14.222 -2.141 4.073 7 1HG MET 1 HG2 MET 1 16.202 -3.739 3.802 8 2HG MET 1 HG1 MET 1 16.870 -2.996 5.255 9 1HE MET 1 HE1 MET 1 16.865 -4.722 7.027 10 2HE MET 1 HE2 MET 1 16.758 -5.767 5.613 11 3HE MET 1 HE3 MET 1 15.754 -6.098 7.023 12 H THR 2 HN THR 2 13.675 -1.544 2.188 13 HA THR 2 HA THR 2 13.378 1.344 1.418 14 HB THR 2 HB THR 2 12.335 -1.164 0.062 15 HG1 THR 2 HG1 THR 2 14.501 -1.079 -0.259 16 1HG2 THR 2 HG21 THR 2 12.285 1.767 -0.694 17 2HG2 THR 2 HG22 THR 2 10.898 0.720 -0.394 18 3HG2 THR 2 HG23 THR 2 11.908 0.459 -1.817 19 H THR 3 HN THR 3 11.871 2.218 2.800 20 HA THR 3 HA THR 3 9.699 0.564 3.876 21 HB THR 3 HB THR 3 10.445 3.449 4.401 22 HG1 THR 3 HG1 THR 3 12.193 2.140 4.864 23 1HG2 THR 3 HG21 THR 3 9.047 1.477 6.214 24 2HG2 THR 3 HG22 THR 3 8.169 2.556 5.130 25 3HG2 THR 3 HG23 THR 3 9.180 3.224 6.411 26 H PHE 4 HN PHE 4 8.285 0.358 2.046 27 HA PHE 4 HA PHE 4 7.449 2.619 0.429 28 1HB PHE 4 HB2 PHE 4 6.311 -0.150 0.931 29 2HB PHE 4 HB1 PHE 4 5.733 0.934 -0.331 30 HD1 PHE 4 HD1 PHE 4 8.422 -1.296 0.747 31 HD2 PHE 4 HD2 PHE 4 7.212 1.559 -2.225 32 HE1 PHE 4 HE1 PHE 4 10.241 -2.080 -0.745 33 HE2 PHE 4 HE2 PHE 4 9.032 0.776 -3.717 34 HZ PHE 4 HZ PHE 4 10.544 -1.044 -2.977 35 H LYS 5 HN LYS 5 5.037 3.237 0.351 36 HA LYS 5 HA LYS 5 3.786 3.247 3.076 37 1HB LYS 5 HB2 LYS 5 4.791 5.452 1.365 38 2HB LYS 5 HB1 LYS 5 3.212 5.729 2.101 39 1HG LYS 5 HG2 LYS 5 4.086 5.389 4.310 40 2HG LYS 5 HG1 LYS 5 5.616 4.784 3.678 41 1HD LYS 5 HD2 LYS 5 6.454 6.869 3.480 42 2HD LYS 5 HD1 LYS 5 5.028 7.426 2.605 43 1HE LYS 5 HE2 LYS 5 4.022 7.214 5.147 44 2HE LYS 5 HE1 LYS 5 5.694 7.714 5.470 45 1HZ LYS 5 HZ1 LYS 5 5.483 9.538 3.998 46 2HZ LYS 5 HZ2 LYS 5 4.105 9.580 4.992 47 3HZ LYS 5 HZ3 LYS 5 3.992 8.991 3.402 48 H LEU 6 HN LEU 6 1.829 2.228 2.758 49 HA LEU 6 HA LEU 6 0.436 2.447 0.149 50 1HB LEU 6 HB2 LEU 6 0.882 0.390 1.792 51 2HB LEU 6 HB1 LEU 6 -0.601 0.963 2.532 52 HG LEU 6 HG LEU 6 -0.179 -0.417 -0.065 53 1HD1 LEU 6 HD11 LEU 6 -2.106 -0.339 2.195 54 2HD1 LEU 6 HD12 LEU 6 -1.444 -1.720 1.321 55 3HD1 LEU 6 HD13 LEU 6 -2.768 -0.789 0.624 56 1HD2 LEU 6 HD21 LEU 6 -2.110 1.912 0.188 57 2HD2 LEU 6 HD22 LEU 6 -2.365 0.598 -0.962 58 3HD2 LEU 6 HD23 LEU 6 -0.930 1.615 -1.089 59 H ILE 7 HN ILE 7 -0.860 4.265 -0.039 60 HA ILE 7 HA ILE 7 -1.947 5.727 2.183 61 HB ILE 7 HB ILE 7 -1.535 6.234 -0.418 62 1HG1 ILE 7 HG12 ILE 7 -3.193 8.153 -0.160 63 2HG1 ILE 7 HG11 ILE 7 -3.643 7.430 1.383 64 1HG2 ILE 7 HG21 ILE 7 -3.602 4.593 -0.838 65 2HG2 ILE 7 HG22 ILE 7 -3.315 6.004 -1.855 66 3HG2 ILE 7 HG23 ILE 7 -4.510 6.079 -0.562 67 1HD1 ILE 7 HD11 ILE 7 -1.500 7.767 2.305 68 2HD1 ILE 7 HD12 ILE 7 -1.791 9.247 1.391 69 3HD1 ILE 7 HD13 ILE 7 -0.756 7.986 0.721 70 H ILE 8 HN ILE 8 -4.472 5.954 2.423 71 HA ILE 8 HA ILE 8 -5.759 3.269 2.095 72 HB ILE 8 HB ILE 8 -5.751 5.073 4.540 73 1HG1 ILE 8 HG12 ILE 8 -4.544 2.318 4.132 74 2HG1 ILE 8 HG11 ILE 8 -3.620 3.821 4.087 75 1HG2 ILE 8 HG21 ILE 8 -7.176 2.504 3.860 76 2HG2 ILE 8 HG22 ILE 8 -7.838 3.976 4.568 77 3HG2 ILE 8 HG23 ILE 8 -6.809 2.919 5.534 78 1HD1 ILE 8 HD11 ILE 8 -4.915 2.460 6.416 79 2HD1 ILE 8 HD12 ILE 8 -4.816 4.221 6.428 80 3HD1 ILE 8 HD13 ILE 8 -3.344 3.256 6.315 81 H ASN 9 HN ASN 9 -6.689 4.574 0.192 82 HA ASN 9 HA ASN 9 -8.781 6.529 1.008 83 1HB ASN 9 HB2 ASN 9 -7.111 5.973 -1.321 84 2HB ASN 9 HB1 ASN 9 -8.807 6.118 -1.780 85 1HD2 ASN 9 HD21 ASN 9 -6.491 8.051 -2.202 86 2HD2 ASN 9 HD22 ASN 9 -7.023 9.513 -1.523 87 H GLY 10 HN GLY 10 -9.251 3.964 1.920 88 1HA GLY 10 HA2 GLY 10 -11.232 2.787 0.029 89 2HA GLY 10 HA1 GLY 10 -10.507 1.938 1.399 90 H LYS 11 HN LYS 11 -13.330 2.184 0.899 91 HA LYS 11 HA LYS 11 -14.455 4.207 2.668 92 1HB LYS 11 HB2 LYS 11 -15.530 3.068 0.665 93 2HB LYS 11 HB1 LYS 11 -15.687 1.626 1.669 94 1HG LYS 11 HG2 LYS 11 -17.154 2.709 3.188 95 2HG LYS 11 HG1 LYS 11 -16.739 4.309 2.572 96 1HD LYS 11 HD2 LYS 11 -18.782 3.953 1.517 97 2HD LYS 11 HD1 LYS 11 -17.665 3.337 0.298 98 1HE LYS 11 HE2 LYS 11 -19.001 1.470 0.402 99 2HE LYS 11 HE1 LYS 11 -18.036 1.101 1.845 100 1HZ LYS 11 HZ1 LYS 11 -19.602 2.236 3.217 101 2HZ LYS 11 HZ2 LYS 11 -20.475 1.140 2.256 102 3HZ LYS 11 HZ3 LYS 11 -20.474 2.796 1.874 103 H THR 12 HN THR 12 -12.755 1.320 3.295 104 HA THR 12 HA THR 12 -14.294 0.635 5.734 105 HB THR 12 HB THR 12 -11.730 -0.571 4.669 106 HG1 THR 12 HG1 THR 12 -12.832 -1.386 3.096 107 1HG2 THR 12 HG21 THR 12 -13.949 -2.093 5.964 108 2HG2 THR 12 HG22 THR 12 -12.934 -1.078 6.990 109 3HG2 THR 12 HG23 THR 12 -12.208 -2.370 6.033 110 H LEU 13 HN LEU 13 -11.169 2.023 4.749 111 HA LEU 13 HA LEU 13 -10.775 2.910 7.584 112 1HB LEU 13 HB2 LEU 13 -9.139 1.099 5.901 113 2HB LEU 13 HB1 LEU 13 -8.235 2.332 6.780 114 HG LEU 13 HG LEU 13 -9.903 1.507 8.745 115 1HD1 LEU 13 HD11 LEU 13 -9.509 -0.823 6.858 116 2HD1 LEU 13 HD12 LEU 13 -11.019 -0.226 7.545 117 3HD1 LEU 13 HD13 LEU 13 -9.847 -1.048 8.574 118 1HD2 LEU 13 HD21 LEU 13 -7.306 1.594 8.529 119 2HD2 LEU 13 HD22 LEU 13 -7.440 -0.117 8.124 120 3HD2 LEU 13 HD23 LEU 13 -8.012 0.466 9.687 121 H LYS 14 HN LYS 14 -8.609 4.395 7.473 122 HA LYS 14 HA LYS 14 -8.349 5.973 5.016 123 1HB LYS 14 HB2 LYS 14 -10.541 6.561 6.360 124 2HB LYS 14 HB1 LYS 14 -9.424 7.429 7.415 125 1HG LYS 14 HG2 LYS 14 -8.606 8.754 5.551 126 2HG LYS 14 HG1 LYS 14 -9.569 7.811 4.412 127 1HD LYS 14 HD2 LYS 14 -10.855 9.282 6.713 128 2HD LYS 14 HD1 LYS 14 -10.532 10.083 5.174 129 1HE LYS 14 HE2 LYS 14 -11.802 8.210 4.030 130 2HE LYS 14 HE1 LYS 14 -12.292 7.656 5.644 131 1HZ LYS 14 HZ1 LYS 14 -13.903 9.225 4.726 132 2HZ LYS 14 HZ2 LYS 14 -12.686 10.400 4.569 133 3HZ LYS 14 HZ3 LYS 14 -13.156 9.859 6.110 134 H GLY 15 HN GLY 15 -6.323 6.917 5.027 135 1HA GLY 15 HA2 GLY 15 -4.823 8.336 6.620 136 2HA GLY 15 HA1 GLY 15 -4.807 6.863 7.589 137 H GLU 16 HN GLU 16 -2.642 6.305 7.344 138 HA GLU 16 HA GLU 16 -1.814 5.486 4.587 139 1HB GLU 16 HB2 GLU 16 -0.941 7.753 5.231 140 2HB GLU 16 HB1 GLU 16 -0.118 7.000 6.598 141 1HG GLU 16 HG2 GLU 16 1.427 5.926 5.257 142 2HG GLU 16 HG1 GLU 16 0.323 5.827 3.885 143 H THR 17 HN THR 17 -0.018 3.890 4.648 144 HA THR 17 HA THR 17 0.293 2.479 7.271 145 HB THR 17 HB THR 17 -0.187 1.096 4.623 146 HG1 THR 17 HG1 THR 17 -2.216 1.527 4.821 147 1HG2 THR 17 HG21 THR 17 0.752 0.078 6.925 148 2HG2 THR 17 HG22 THR 17 -0.310 -0.837 5.854 149 3HG2 THR 17 HG23 THR 17 -0.976 -0.018 7.268 150 H THR 18 HN THR 18 2.368 1.661 7.588 151 HA THR 18 HA THR 18 4.291 1.831 5.288 152 HB THR 18 HB THR 18 5.923 2.636 7.044 153 HG1 THR 18 HG1 THR 18 3.563 2.913 8.586 154 1HG2 THR 18 HG21 THR 18 5.250 4.507 5.939 155 2HG2 THR 18 HG22 THR 18 4.364 4.842 7.427 156 3HG2 THR 18 HG23 THR 18 3.542 4.086 6.062 157 H THR 19 HN THR 19 6.159 0.373 5.525 158 HA THR 19 HA THR 19 6.157 -1.658 7.640 159 HB THR 19 HB THR 19 4.321 -2.403 6.171 160 HG1 THR 19 HG1 THR 19 5.673 -3.980 7.086 161 1HG2 THR 19 HG21 THR 19 4.521 -2.683 3.864 162 2HG2 THR 19 HG22 THR 19 6.279 -2.802 3.929 163 3HG2 THR 19 HG23 THR 19 5.493 -1.236 4.127 164 H GLU 20 HN GLU 20 7.915 -3.356 7.105 165 HA GLU 20 HA GLU 20 10.226 -1.948 5.846 166 1HB GLU 20 HB2 GLU 20 9.740 -3.873 8.044 167 2HB GLU 20 HB1 GLU 20 11.202 -4.176 7.105 168 1HG GLU 20 HG2 GLU 20 12.042 -2.676 8.651 169 2HG GLU 20 HG1 GLU 20 11.512 -1.548 7.402 170 H ALA 21 HN ALA 21 10.247 -2.474 3.660 171 HA ALA 21 HA ALA 21 10.238 -5.394 2.969 172 1HB ALA 21 HB1 ALA 21 8.832 -4.921 1.109 173 2HB ALA 21 HB2 ALA 21 9.138 -3.188 1.219 174 3HB ALA 21 HB3 ALA 21 8.137 -3.985 2.433 175 H VAL 22 HN VAL 22 11.887 -6.003 1.579 176 HA VAL 22 HA VAL 22 14.180 -4.359 1.198 177 HB VAL 22 HB VAL 22 14.143 -6.829 1.157 178 1HG1 VAL 22 HG11 VAL 22 13.046 -6.805 -1.629 179 2HG1 VAL 22 HG12 VAL 22 11.914 -6.713 -0.282 180 3HG1 VAL 22 HG13 VAL 22 13.006 -8.089 -0.422 181 1HG2 VAL 22 HG21 VAL 22 15.786 -7.106 -0.510 182 2HG2 VAL 22 HG22 VAL 22 15.863 -5.381 -0.151 183 3HG2 VAL 22 HG23 VAL 22 15.015 -5.944 -1.591 184 H ASP 23 HN ASP 23 11.336 -4.890 -0.842 185 HA ASP 23 HA ASP 23 11.806 -2.450 -2.344 186 1HB ASP 23 HB2 ASP 23 12.192 -3.628 -4.530 187 2HB ASP 23 HB1 ASP 23 13.509 -3.845 -3.382 188 H ALA 24 HN ALA 24 10.229 -2.564 -4.411 189 HA ALA 24 HA ALA 24 7.574 -2.788 -3.505 190 1HB ALA 24 HB1 ALA 24 7.191 -2.913 -6.104 191 2HB ALA 24 HB2 ALA 24 8.941 -2.709 -6.178 192 3HB ALA 24 HB3 ALA 24 7.942 -1.476 -5.409 193 H ALA 25 HN ALA 25 9.704 -5.255 -4.788 194 HA ALA 25 HA ALA 25 7.832 -7.194 -5.692 195 1HB ALA 25 HB1 ALA 25 10.308 -7.964 -4.181 196 2HB ALA 25 HB2 ALA 25 10.478 -7.012 -5.656 197 3HB ALA 25 HB3 ALA 25 9.697 -8.592 -5.711 198 H THR 26 HN THR 26 8.850 -6.326 -2.426 199 HA THR 26 HA THR 26 7.136 -8.513 -1.305 200 HB THR 26 HB THR 26 9.254 -6.801 0.029 201 HG1 THR 26 HG1 THR 26 10.330 -7.958 -1.463 202 1HG2 THR 26 HG21 THR 26 9.256 -8.665 1.674 203 2HG2 THR 26 HG22 THR 26 7.928 -9.417 0.791 204 3HG2 THR 26 HG23 THR 26 7.690 -7.859 1.582 205 H ALA 27 HN ALA 27 7.614 -5.034 -1.449 206 HA ALA 27 HA ALA 27 6.003 -4.201 0.752 207 1HB ALA 27 HB1 ALA 27 6.313 -2.110 -0.189 208 2HB ALA 27 HB2 ALA 27 5.973 -2.683 -1.822 209 3HB ALA 27 HB3 ALA 27 7.545 -2.995 -1.087 210 H GLU 28 HN GLU 28 5.133 -4.914 -2.632 211 HA GLU 28 HA GLU 28 2.320 -4.264 -2.346 212 1HB GLU 28 HB2 GLU 28 3.688 -4.345 -4.463 213 2HB GLU 28 HB1 GLU 28 3.714 -6.103 -4.319 214 1HG GLU 28 HG2 GLU 28 1.311 -6.223 -4.499 215 2HG GLU 28 HG1 GLU 28 1.167 -4.467 -4.412 216 H LYS 29 HN LYS 29 4.127 -7.366 -2.325 217 HA LYS 29 HA LYS 29 1.937 -9.136 -2.024 218 1HB LYS 29 HB2 LYS 29 4.816 -9.127 -1.142 219 2HB LYS 29 HB1 LYS 29 3.766 -10.488 -0.751 220 1HG LYS 29 HG2 LYS 29 3.219 -10.739 -3.158 221 2HG LYS 29 HG1 LYS 29 4.327 -9.419 -3.532 222 1HD LYS 29 HD2 LYS 29 6.172 -10.721 -3.261 223 2HD LYS 29 HD1 LYS 29 5.502 -11.547 -1.854 224 1HE LYS 29 HE2 LYS 29 3.886 -12.612 -3.708 225 2HE LYS 29 HE1 LYS 29 5.282 -12.264 -4.748 226 1HZ LYS 29 HZ1 LYS 29 5.403 -14.450 -3.580 227 2HZ LYS 29 HZ2 LYS 29 5.491 -13.606 -2.108 228 3HZ LYS 29 HZ3 LYS 29 6.717 -13.423 -3.270 229 H VAL 30 HN VAL 30 3.560 -7.112 0.369 230 HA VAL 30 HA VAL 30 2.110 -8.324 2.636 231 HB VAL 30 HB VAL 30 3.944 -5.912 2.377 232 1HG1 VAL 30 HG11 VAL 30 2.863 -7.414 4.776 233 2HG1 VAL 30 HG12 VAL 30 2.667 -5.702 4.404 234 3HG1 VAL 30 HG13 VAL 30 4.250 -6.328 4.864 235 1HG2 VAL 30 HG21 VAL 30 4.880 -8.206 1.765 236 2HG2 VAL 30 HG22 VAL 30 4.589 -8.674 3.440 237 3HG2 VAL 30 HG23 VAL 30 5.718 -7.370 3.072 238 H PHE 31 HN PHE 31 2.224 -5.139 0.999 239 HA PHE 31 HA PHE 31 0.078 -3.974 2.529 240 1HB PHE 31 HB2 PHE 31 1.560 -3.399 -0.017 241 2HB PHE 31 HB1 PHE 31 0.102 -2.476 0.333 242 HD1 PHE 31 HD1 PHE 31 3.407 -2.041 0.428 243 HD2 PHE 31 HD2 PHE 31 0.144 -2.110 3.224 244 HE1 PHE 31 HE1 PHE 31 4.695 -0.594 1.973 245 HE2 PHE 31 HE2 PHE 31 1.438 -0.664 4.767 246 HZ PHE 31 HZ PHE 31 3.713 0.094 4.141 247 H LYS 32 HN LYS 32 0.185 -5.709 -0.580 248 HA LYS 32 HA LYS 32 -2.551 -5.302 -1.333 249 1HB LYS 32 HB2 LYS 32 -0.674 -6.184 -2.760 250 2HB LYS 32 HB1 LYS 32 -0.744 -7.694 -1.850 251 1HG LYS 32 HG2 LYS 32 -3.159 -7.906 -2.501 252 2HG LYS 32 HG1 LYS 32 -2.962 -6.489 -3.531 253 1HD LYS 32 HD2 LYS 32 -0.868 -8.485 -3.992 254 2HD LYS 32 HD1 LYS 32 -2.482 -9.137 -4.274 255 1HE LYS 32 HE2 LYS 32 -2.088 -8.200 -6.363 256 2HE LYS 32 HE1 LYS 32 -2.770 -6.778 -5.548 257 1HZ LYS 32 HZ1 LYS 32 0.117 -7.464 -5.504 258 2HZ LYS 32 HZ2 LYS 32 -0.611 -6.027 -4.964 259 3HZ LYS 32 HZ3 LYS 32 -0.564 -6.387 -6.623 260 H GLN 33 HN GLN 33 -0.947 -7.869 0.561 261 HA GLN 33 HA GLN 33 -3.283 -9.452 1.068 262 1HB GLN 33 HB2 GLN 33 -0.736 -9.902 1.389 263 2HB GLN 33 HB1 GLN 33 -0.968 -9.144 2.964 264 1HG GLN 33 HG2 GLN 33 -1.277 -11.497 3.302 265 2HG GLN 33 HG1 GLN 33 -2.887 -10.779 3.328 266 1HE2 GLN 33 HE21 GLN 33 -3.913 -12.766 2.564 267 2HE2 GLN 33 HE22 GLN 33 -3.721 -13.300 0.964 268 H TYR 34 HN TYR 34 -1.868 -6.670 2.618 269 HA TYR 34 HA TYR 34 -3.474 -6.614 5.009 270 1HB TYR 34 HB2 TYR 34 -1.587 -5.260 5.117 271 2HB TYR 34 HB1 TYR 34 -1.695 -4.795 3.424 272 HD1 TYR 34 HD1 TYR 34 -2.873 -2.818 2.752 273 HD2 TYR 34 HD2 TYR 34 -3.072 -4.195 6.808 274 HE1 TYR 34 HE1 TYR 34 -3.943 -0.681 3.412 275 HE2 TYR 34 HE2 TYR 34 -4.139 -2.053 7.484 276 HH TYR 34 HH TYR 34 -5.647 -0.192 5.953 277 H ALA 35 HN ALA 35 -3.735 -4.696 1.994 278 HA ALA 35 HA ALA 35 -6.274 -3.526 2.513 279 1HB ALA 35 HB1 ALA 35 -5.306 -2.523 0.701 280 2HB ALA 35 HB2 ALA 35 -6.134 -3.778 -0.222 281 3HB ALA 35 HB3 ALA 35 -4.445 -3.996 0.240 282 H ASN 36 HN ASN 36 -5.434 -6.589 0.887 283 HA ASN 36 HA ASN 36 -7.999 -7.337 -0.025 284 1HB ASN 36 HB2 ASN 36 -5.779 -8.400 -0.534 285 2HB ASN 36 HB1 ASN 36 -5.814 -9.127 1.074 286 1HD2 ASN 36 HD21 ASN 36 -7.808 -8.927 -1.925 287 2HD2 ASN 36 HD22 ASN 36 -8.469 -10.482 -1.765 288 H ASP 37 HN ASP 37 -6.497 -7.727 3.167 289 HA ASP 37 HA ASP 37 -8.503 -9.424 4.334 290 1HB ASP 37 HB2 ASP 37 -6.067 -8.440 5.042 291 2HB ASP 37 HB1 ASP 37 -7.113 -7.409 6.019 292 H ASN 38 HN ASN 38 -8.102 -5.875 4.289 293 HA ASN 38 HA ASN 38 -10.570 -5.375 5.772 294 1HB ASN 38 HB2 ASN 38 -8.508 -3.765 4.271 295 2HB ASN 38 HB1 ASN 38 -9.982 -2.994 4.858 296 1HD2 ASN 38 HD21 ASN 38 -6.822 -3.647 5.755 297 2HD2 ASN 38 HD22 ASN 38 -7.003 -3.590 7.441 298 H GLY 39 HN GLY 39 -9.562 -5.243 2.356 299 1HA GLY 39 HA2 GLY 39 -11.250 -5.965 0.666 300 2HA GLY 39 HA1 GLY 39 -12.453 -5.081 1.605 301 H ILE 40 HN ILE 40 -9.168 -4.020 0.733 302 HA ILE 40 HA ILE 40 -10.361 -1.570 -0.463 303 HB ILE 40 HB ILE 40 -7.544 -2.335 0.382 304 1HG1 ILE 40 HG12 ILE 40 -9.595 -0.455 1.605 305 2HG1 ILE 40 HG11 ILE 40 -9.201 -2.059 2.218 306 1HG2 ILE 40 HG21 ILE 40 -7.119 -0.686 -1.221 307 2HG2 ILE 40 HG22 ILE 40 -7.383 0.312 0.210 308 3HG2 ILE 40 HG23 ILE 40 -8.680 0.099 -0.964 309 1HD1 ILE 40 HD11 ILE 40 -6.827 -1.309 2.520 310 2HD1 ILE 40 HD12 ILE 40 -7.974 -0.396 3.505 311 3HD1 ILE 40 HD13 ILE 40 -7.320 0.312 2.029 312 H ASP 41 HN ASP 41 -10.955 -3.333 -2.271 313 HA ASP 41 HA ASP 41 -8.737 -3.905 -4.137 314 1HB ASP 41 HB2 ASP 41 -10.570 -4.994 -5.422 315 2HB ASP 41 HB1 ASP 41 -10.567 -5.520 -3.740 316 H GLY 42 HN GLY 42 -8.671 -1.262 -3.902 317 1HA GLY 42 HA2 GLY 42 -10.478 0.063 -5.805 318 2HA GLY 42 HA1 GLY 42 -9.222 0.840 -4.839 319 H GLU 43 HN GLU 43 -8.095 1.892 -6.412 320 HA GLU 43 HA GLU 43 -7.010 0.290 -8.650 321 1HB GLU 43 HB2 GLU 43 -6.869 2.441 -9.850 322 2HB GLU 43 HB1 GLU 43 -8.505 2.173 -9.261 323 1HG GLU 43 HG2 GLU 43 -8.359 4.226 -8.323 324 2HG GLU 43 HG1 GLU 43 -7.278 3.495 -7.141 325 H TRP 44 HN TRP 44 -5.006 -0.381 -8.035 326 HA TRP 44 HA TRP 44 -3.403 1.102 -6.152 327 1HB TRP 44 HB2 TRP 44 -3.061 -1.400 -7.785 328 2HB TRP 44 HB1 TRP 44 -1.788 -0.795 -6.718 329 HD1 TRP 44 HD1 TRP 44 -5.491 -1.848 -6.593 330 HE1 TRP 44 HE1 TRP 44 -6.020 -2.650 -4.200 331 HE3 TRP 44 HE3 TRP 44 -1.029 -0.846 -4.322 332 HZ2 TRP 44 HZ2 TRP 44 -4.723 -2.829 -1.670 333 HZ3 TRP 44 HZ3 TRP 44 -0.705 -1.344 -1.915 334 HH2 TRP 44 HH2 TRP 44 -2.545 -2.341 -0.587 335 H THR 45 HN THR 45 -1.584 2.247 -6.487 336 HA THR 45 HA THR 45 -0.325 2.449 -9.142 337 HB THR 45 HB THR 45 -0.616 5.016 -8.920 338 HG1 THR 45 HG1 THR 45 -2.148 5.705 -7.579 339 1HG2 THR 45 HG21 THR 45 -1.895 3.242 -10.422 340 2HG2 THR 45 HG22 THR 45 -2.422 4.924 -10.364 341 3HG2 THR 45 HG23 THR 45 -3.259 3.703 -9.405 342 H TYR 46 HN TYR 46 1.841 2.708 -8.786 343 HA TYR 46 HA TYR 46 2.739 3.178 -5.995 344 1HB TYR 46 HB2 TYR 46 3.576 1.198 -7.016 345 2HB TYR 46 HB1 TYR 46 3.888 2.013 -8.543 346 HD1 TYR 46 HD1 TYR 46 5.127 1.414 -5.118 347 HD2 TYR 46 HD2 TYR 46 5.882 3.379 -8.862 348 HE1 TYR 46 HE1 TYR 46 7.470 1.799 -4.439 349 HE2 TYR 46 HE2 TYR 46 8.233 3.772 -8.181 350 HH TYR 46 HH TYR 46 9.784 2.190 -5.962 351 H ASP 47 HN ASP 47 3.535 5.144 -5.425 352 HA ASP 47 HA ASP 47 4.028 7.221 -7.464 353 1HB ASP 47 HB2 ASP 47 2.919 7.182 -4.979 354 2HB ASP 47 HB1 ASP 47 4.565 7.672 -4.577 355 H ASP 48 HN ASP 48 6.016 6.699 -8.458 356 HA ASP 48 HA ASP 48 8.348 5.707 -7.125 357 1HB ASP 48 HB2 ASP 48 7.830 5.687 -9.583 358 2HB ASP 48 HB1 ASP 48 8.151 7.422 -9.620 359 H ALA 49 HN ALA 49 6.978 8.907 -7.238 360 HA ALA 49 HA ALA 49 9.223 10.571 -6.957 361 1HB ALA 49 HB1 ALA 49 6.721 11.103 -7.182 362 2HB ALA 49 HB2 ALA 49 7.648 12.150 -6.107 363 3HB ALA 49 HB3 ALA 49 6.630 10.876 -5.436 364 H THR 50 HN THR 50 7.442 8.767 -4.444 365 HA THR 50 HA THR 50 9.837 8.913 -2.685 366 HB THR 50 HB THR 50 8.415 9.757 -0.831 367 HG1 THR 50 HG1 THR 50 6.419 9.058 -1.451 368 1HG2 THR 50 HG21 THR 50 8.111 11.541 -3.254 369 2HG2 THR 50 HG22 THR 50 9.649 11.307 -2.423 370 3HG2 THR 50 HG23 THR 50 8.287 12.033 -1.569 371 H LYS 51 HN LYS 51 8.260 6.792 -4.188 372 HA LYS 51 HA LYS 51 7.452 4.603 -3.815 373 1HB LYS 51 HB2 LYS 51 9.538 5.281 -1.895 374 2HB LYS 51 HB1 LYS 51 8.443 4.067 -1.237 375 1HG LYS 51 HG2 LYS 51 9.800 2.629 -2.384 376 2HG LYS 51 HG1 LYS 51 8.767 3.085 -3.738 377 1HD LYS 51 HD2 LYS 51 10.354 4.554 -4.628 378 2HD LYS 51 HD1 LYS 51 11.179 4.752 -3.082 379 1HE LYS 51 HE2 LYS 51 12.296 2.689 -3.264 380 2HE LYS 51 HE1 LYS 51 11.128 2.056 -4.441 381 1HZ LYS 51 HZ1 LYS 51 13.042 4.288 -4.875 382 2HZ LYS 51 HZ2 LYS 51 11.839 3.822 -5.981 383 3HZ LYS 51 HZ3 LYS 51 13.105 2.756 -5.598 384 H THR 52 HN THR 52 5.191 4.942 -3.607 385 HA THR 52 HA THR 52 4.120 4.625 -0.876 386 HB THR 52 HB THR 52 3.447 7.025 -2.606 387 HG1 THR 52 HG1 THR 52 4.618 8.169 -1.078 388 1HG2 THR 52 HG21 THR 52 1.998 7.712 -0.895 389 2HG2 THR 52 HG22 THR 52 2.742 6.642 0.294 390 3HG2 THR 52 HG23 THR 52 1.711 5.974 -0.971 391 H PHE 53 HN PHE 53 2.946 2.785 -1.439 392 HA PHE 53 HA PHE 53 1.568 2.352 -3.922 393 1HB PHE 53 HB2 PHE 53 1.339 1.253 -1.110 394 2HB PHE 53 HB1 PHE 53 0.332 0.647 -2.422 395 HD1 PHE 53 HD1 PHE 53 1.243 -0.726 -4.168 396 HD2 PHE 53 HD2 PHE 53 3.811 1.010 -1.200 397 HE1 PHE 53 HE1 PHE 53 3.101 -2.190 -4.920 398 HE2 PHE 53 HE2 PHE 53 5.668 -0.451 -1.946 399 HZ PHE 53 HZ PHE 53 5.314 -2.052 -3.809 400 H THR 54 HN THR 54 -0.414 3.164 -4.602 401 HA THR 54 HA THR 54 -2.096 4.553 -2.524 402 HB THR 54 HB THR 54 -1.557 5.301 -5.412 403 HG1 THR 54 HG1 THR 54 -0.712 6.528 -3.005 404 1HG2 THR 54 HG21 THR 54 -3.759 5.967 -3.922 405 2HG2 THR 54 HG22 THR 54 -3.093 6.963 -5.216 406 3HG2 THR 54 HG23 THR 54 -2.659 7.291 -3.539 407 H VAL 55 HN VAL 55 -3.927 3.267 -2.276 408 HA VAL 55 HA VAL 55 -5.272 2.286 -4.730 409 HB VAL 55 HB VAL 55 -4.459 0.531 -3.129 410 1HG1 VAL 55 HG11 VAL 55 -4.838 1.961 -1.079 411 2HG1 VAL 55 HG12 VAL 55 -5.437 0.303 -0.951 412 3HG1 VAL 55 HG13 VAL 55 -6.561 1.633 -1.276 413 1HG2 VAL 55 HG21 VAL 55 -6.523 0.282 -4.587 414 2HG2 VAL 55 HG22 VAL 55 -7.471 0.675 -3.153 415 3HG2 VAL 55 HG23 VAL 55 -6.459 -0.769 -3.172 416 H THR 56 HN THR 56 -7.729 2.218 -4.447 417 HA THR 56 HA THR 56 -8.928 4.074 -2.515 418 HB THR 56 HB THR 56 -8.690 4.668 -5.478 419 HG1 THR 56 HG1 THR 56 -7.377 6.284 -4.845 420 1HG2 THR 56 HG21 THR 56 -9.998 6.661 -5.072 421 2HG2 THR 56 HG22 THR 56 -10.038 6.339 -3.339 422 3HG2 THR 56 HG23 THR 56 -10.913 5.288 -4.452 423 H GLU 57 HN GLU 57 -10.697 2.796 -2.006 424 HA GLU 57 HA GLU 57 -11.922 0.891 -3.785 425 1HB GLU 57 HB2 GLU 57 -12.722 2.249 -1.201 426 2HB GLU 57 HB1 GLU 57 -13.737 1.025 -1.966 427 1HG GLU 57 HG2 GLU 57 -11.622 -0.448 -2.004 428 2HG GLU 57 HG1 GLU 57 -10.946 0.712 -0.861 Start of MODEL 35 1 1H MET 1 HT1 MET 1 17.042 -1.120 3.546 2 2H MET 1 HT2 MET 1 17.102 -2.494 4.543 3 3H MET 1 HT3 MET 1 16.423 -1.049 5.123 4 HA MET 1 HA MET 1 15.319 -2.737 2.933 5 1HB MET 1 HB2 MET 1 15.157 -2.703 5.840 6 2HB MET 1 HB1 MET 1 13.567 -2.435 5.128 7 1HG MET 1 HG2 MET 1 13.660 -4.474 3.899 8 2HG MET 1 HG1 MET 1 15.387 -4.662 4.199 9 1HE MET 1 HE1 MET 1 16.000 -4.840 7.511 10 2HE MET 1 HE2 MET 1 16.471 -5.233 5.859 11 3HE MET 1 HE3 MET 1 15.952 -6.516 6.948 12 H THR 2 HN THR 2 13.312 -1.898 2.081 13 HA THR 2 HA THR 2 13.086 1.071 2.285 14 HB THR 2 HB THR 2 11.900 -0.914 0.319 15 HG1 THR 2 HG1 THR 2 14.281 0.621 0.281 16 1HG2 THR 2 HG21 THR 2 10.681 1.151 0.268 17 2HG2 THR 2 HG22 THR 2 11.782 1.176 -1.109 18 3HG2 THR 2 HG23 THR 2 12.167 2.099 0.344 19 H THR 3 HN THR 3 11.584 1.698 3.794 20 HA THR 3 HA THR 3 9.301 -0.001 4.460 21 HB THR 3 HB THR 3 10.006 2.750 5.489 22 HG1 THR 3 HG1 THR 3 11.811 1.770 5.991 23 1HG2 THR 3 HG21 THR 3 7.845 1.916 6.217 24 2HG2 THR 3 HG22 THR 3 8.971 1.821 7.571 25 3HG2 THR 3 HG23 THR 3 8.555 0.366 6.666 26 H PHE 4 HN PHE 4 7.969 0.160 2.540 27 HA PHE 4 HA PHE 4 7.220 2.727 1.387 28 1HB PHE 4 HB2 PHE 4 6.081 -0.081 1.204 29 2HB PHE 4 HB1 PHE 4 5.560 1.259 0.187 30 HD1 PHE 4 HD1 PHE 4 7.099 2.257 -1.470 31 HD2 PHE 4 HD2 PHE 4 8.230 -1.140 0.903 32 HE1 PHE 4 HE1 PHE 4 8.996 1.814 -3.007 33 HE2 PHE 4 HE2 PHE 4 10.126 -1.582 -0.632 34 HZ PHE 4 HZ PHE 4 10.506 -0.106 -2.588 35 H LYS 5 HN LYS 5 4.800 3.337 1.312 36 HA LYS 5 HA LYS 5 3.435 2.756 3.918 37 1HB LYS 5 HB2 LYS 5 4.410 5.291 2.720 38 2HB LYS 5 HB1 LYS 5 2.808 5.360 3.453 39 1HG LYS 5 HG2 LYS 5 3.662 4.563 5.565 40 2HG LYS 5 HG1 LYS 5 5.240 4.220 4.854 41 1HD LYS 5 HD2 LYS 5 4.215 7.005 4.584 42 2HD LYS 5 HD1 LYS 5 4.746 6.497 6.189 43 1HE LYS 5 HE2 LYS 5 6.853 5.576 4.899 44 2HE LYS 5 HE1 LYS 5 6.356 6.748 3.661 45 1HZ LYS 5 HZ1 LYS 5 6.321 8.481 5.287 46 2HZ LYS 5 HZ2 LYS 5 7.832 7.711 5.388 47 3HZ LYS 5 HZ3 LYS 5 6.632 7.391 6.548 48 H LEU 6 HN LEU 6 1.535 1.780 3.339 49 HA LEU 6 HA LEU 6 0.221 2.454 0.761 50 1HB LEU 6 HB2 LEU 6 0.705 0.121 1.921 51 2HB LEU 6 HB1 LEU 6 -0.773 0.480 2.797 52 HG LEU 6 HG LEU 6 -0.397 -0.390 0.000 53 1HD1 LEU 6 HD11 LEU 6 -2.968 -0.855 0.547 54 2HD1 LEU 6 HD12 LEU 6 -2.411 -0.581 2.198 55 3HD1 LEU 6 HD13 LEU 6 -1.681 -1.856 1.219 56 1HD2 LEU 6 HD21 LEU 6 -2.329 1.875 0.610 57 2HD2 LEU 6 HD22 LEU 6 -2.497 0.810 -0.786 58 3HD2 LEU 6 HD23 LEU 6 -1.076 1.843 -0.631 59 H ILE 7 HN ILE 7 -1.114 4.253 0.909 60 HA ILE 7 HA ILE 7 -2.356 5.136 3.353 61 HB ILE 7 HB ILE 7 -1.808 6.249 0.961 62 1HG1 ILE 7 HG12 ILE 7 -4.233 7.275 2.390 63 2HG1 ILE 7 HG11 ILE 7 -2.694 7.179 3.245 64 1HG2 ILE 7 HG21 ILE 7 -3.821 4.798 0.029 65 2HG2 ILE 7 HG22 ILE 7 -3.574 6.453 -0.526 66 3HG2 ILE 7 HG23 ILE 7 -4.789 6.109 0.703 67 1HD1 ILE 7 HD11 ILE 7 -1.615 8.515 1.475 68 2HD1 ILE 7 HD12 ILE 7 -2.972 9.392 2.187 69 3HD1 ILE 7 HD13 ILE 7 -3.152 8.614 0.614 70 H ILE 8 HN ILE 8 -4.777 5.139 3.701 71 HA ILE 8 HA ILE 8 -6.029 2.661 2.563 72 HB ILE 8 HB ILE 8 -6.177 3.806 5.370 73 1HG1 ILE 8 HG12 ILE 8 -3.995 2.757 4.819 74 2HG1 ILE 8 HG11 ILE 8 -4.886 1.803 6.002 75 1HG2 ILE 8 HG21 ILE 8 -7.485 1.860 5.939 76 2HG2 ILE 8 HG22 ILE 8 -7.268 1.178 4.328 77 3HG2 ILE 8 HG23 ILE 8 -8.252 2.624 4.548 78 1HD1 ILE 8 HD11 ILE 8 -5.710 0.350 4.135 79 2HD1 ILE 8 HD12 ILE 8 -3.957 0.306 4.320 80 3HD1 ILE 8 HD13 ILE 8 -4.682 1.256 3.025 81 H ASN 9 HN ASN 9 -6.936 4.296 0.981 82 HA ASN 9 HA ASN 9 -9.056 6.055 2.111 83 1HB ASN 9 HB2 ASN 9 -7.260 6.054 -0.145 84 2HB ASN 9 HB1 ASN 9 -8.914 6.113 -0.748 85 1HD2 ASN 9 HD21 ASN 9 -6.671 8.255 -0.443 86 2HD2 ASN 9 HD22 ASN 9 -7.464 9.546 0.322 87 H GLY 10 HN GLY 10 -9.565 3.372 2.490 88 1HA GLY 10 HA2 GLY 10 -11.511 2.643 0.350 89 2HA GLY 10 HA1 GLY 10 -10.755 1.487 1.448 90 H LYS 11 HN LYS 11 -13.563 1.710 1.087 91 HA LYS 11 HA LYS 11 -14.728 3.219 3.301 92 1HB LYS 11 HB2 LYS 11 -15.776 2.567 1.064 93 2HB LYS 11 HB1 LYS 11 -15.916 0.932 1.711 94 1HG LYS 11 HG2 LYS 11 -18.007 1.989 2.174 95 2HG LYS 11 HG1 LYS 11 -17.131 1.977 3.704 96 1HD LYS 11 HD2 LYS 11 -16.535 4.276 3.498 97 2HD LYS 11 HD1 LYS 11 -17.022 4.325 1.804 98 1HE LYS 11 HE2 LYS 11 -19.286 4.435 2.315 99 2HE LYS 11 HE1 LYS 11 -19.083 3.575 3.854 100 1HZ LYS 11 HZ1 LYS 11 -17.834 5.487 4.693 101 2HZ LYS 11 HZ2 LYS 11 -19.418 5.924 4.264 102 3HZ LYS 11 HZ3 LYS 11 -18.118 6.320 3.243 103 H THR 12 HN THR 12 -12.896 0.372 3.223 104 HA THR 12 HA THR 12 -14.397 -0.936 5.437 105 HB THR 12 HB THR 12 -11.961 -1.796 3.840 106 HG1 THR 12 HG1 THR 12 -13.548 -1.774 2.394 107 1HG2 THR 12 HG21 THR 12 -13.817 -3.732 5.118 108 2HG2 THR 12 HG22 THR 12 -12.776 -2.811 6.205 109 3HG2 THR 12 HG23 THR 12 -12.064 -3.804 4.933 110 H LEU 13 HN LEU 13 -11.339 0.699 4.699 111 HA LEU 13 HA LEU 13 -10.767 0.789 7.637 112 1HB LEU 13 HB2 LEU 13 -9.019 -0.189 5.374 113 2HB LEU 13 HB1 LEU 13 -8.330 0.343 6.909 114 HG LEU 13 HG LEU 13 -10.473 -1.785 6.660 115 1HD1 LEU 13 HD11 LEU 13 -8.552 -2.771 5.701 116 2HD1 LEU 13 HD12 LEU 13 -8.475 -3.260 7.393 117 3HD1 LEU 13 HD13 LEU 13 -7.464 -1.938 6.811 118 1HD2 LEU 13 HD21 LEU 13 -9.539 -2.247 9.037 119 2HD2 LEU 13 HD22 LEU 13 -10.593 -0.848 8.829 120 3HD2 LEU 13 HD23 LEU 13 -8.846 -0.629 8.925 121 H LYS 14 HN LYS 14 -8.853 2.391 7.996 122 HA LYS 14 HA LYS 14 -8.509 4.484 5.967 123 1HB LYS 14 HB2 LYS 14 -10.719 4.556 7.717 124 2HB LYS 14 HB1 LYS 14 -9.570 5.714 8.386 125 1HG LYS 14 HG2 LYS 14 -9.487 6.957 6.349 126 2HG LYS 14 HG1 LYS 14 -10.309 5.679 5.453 127 1HD LYS 14 HD2 LYS 14 -12.342 6.044 6.827 128 2HD LYS 14 HD1 LYS 14 -11.521 7.361 7.666 129 1HE LYS 14 HE2 LYS 14 -12.719 8.501 5.983 130 2HE LYS 14 HE1 LYS 14 -11.127 8.291 5.228 131 1HZ LYS 14 HZ1 LYS 14 -13.337 6.325 4.984 132 2HZ LYS 14 HZ2 LYS 14 -11.863 6.324 4.140 133 3HZ LYS 14 HZ3 LYS 14 -13.024 7.524 3.826 134 H GLY 15 HN GLY 15 -6.552 5.515 6.330 135 1HA GLY 15 HA2 GLY 15 -5.178 6.555 8.271 136 2HA GLY 15 HA1 GLY 15 -5.169 4.908 8.903 137 H GLU 16 HN GLU 16 -2.942 4.542 8.694 138 HA GLU 16 HA GLU 16 -1.952 4.300 5.878 139 1HB GLU 16 HB2 GLU 16 -0.712 5.678 8.268 140 2HB GLU 16 HB1 GLU 16 0.253 5.183 6.876 141 1HG GLU 16 HG2 GLU 16 -1.369 6.473 5.419 142 2HG GLU 16 HG1 GLU 16 -2.075 7.119 6.901 143 H THR 17 HN THR 17 -0.379 2.625 5.597 144 HA THR 17 HA THR 17 0.050 0.818 7.954 145 HB THR 17 HB THR 17 -0.434 -0.100 5.114 146 HG1 THR 17 HG1 THR 17 -2.614 -0.460 5.913 147 1HG2 THR 17 HG21 THR 17 -0.720 -2.216 6.052 148 2HG2 THR 17 HG22 THR 17 -1.132 -1.566 7.639 149 3HG2 THR 17 HG23 THR 17 0.541 -1.537 7.082 150 H THR 18 HN THR 18 2.113 -0.155 8.023 151 HA THR 18 HA THR 18 4.015 0.532 5.807 152 HB THR 18 HB THR 18 5.667 0.970 7.655 153 HG1 THR 18 HG1 THR 18 4.548 -0.253 9.240 154 1HG2 THR 18 HG21 THR 18 3.204 2.675 8.014 155 2HG2 THR 18 HG22 THR 18 4.162 2.732 6.534 156 3HG2 THR 18 HG23 THR 18 4.895 3.169 8.078 157 H THR 19 HN THR 19 5.416 -1.138 5.254 158 HA THR 19 HA THR 19 5.653 -3.498 7.053 159 HB THR 19 HB THR 19 3.707 -3.891 5.599 160 HG1 THR 19 HG1 THR 19 5.939 -5.348 4.647 161 1HG2 THR 19 HG21 THR 19 3.653 -3.418 3.375 162 2HG2 THR 19 HG22 THR 19 5.295 -4.005 3.112 163 3HG2 THR 19 HG23 THR 19 5.030 -2.380 3.742 164 H GLU 20 HN GLU 20 7.712 -4.317 6.989 165 HA GLU 20 HA GLU 20 9.834 -3.010 5.592 166 1HB GLU 20 HB2 GLU 20 11.147 -4.963 6.417 167 2HB GLU 20 HB1 GLU 20 10.104 -4.290 7.667 168 1HG GLU 20 HG2 GLU 20 9.201 -6.336 7.943 169 2HG GLU 20 HG1 GLU 20 8.523 -6.210 6.321 170 H ALA 21 HN ALA 21 10.538 -3.246 3.514 171 HA ALA 21 HA ALA 21 10.166 -5.805 2.070 172 1HB ALA 21 HB1 ALA 21 9.066 -3.187 1.004 173 2HB ALA 21 HB2 ALA 21 8.074 -4.369 1.859 174 3HB ALA 21 HB3 ALA 21 8.833 -4.799 0.326 175 H VAL 22 HN VAL 22 11.786 -6.072 0.520 176 HA VAL 22 HA VAL 22 14.133 -4.467 0.577 177 HB VAL 22 HB VAL 22 14.007 -6.823 -0.153 178 1HG1 VAL 22 HG11 VAL 22 11.783 -6.288 -1.454 179 2HG1 VAL 22 HG12 VAL 22 12.867 -7.540 -2.059 180 3HG1 VAL 22 HG13 VAL 22 12.877 -5.936 -2.791 181 1HG2 VAL 22 HG21 VAL 22 15.406 -6.607 -2.223 182 2HG2 VAL 22 HG22 VAL 22 15.926 -5.537 -0.920 183 3HG2 VAL 22 HG23 VAL 22 14.997 -4.892 -2.273 184 H ASP 23 HN ASP 23 11.312 -4.357 -1.575 185 HA ASP 23 HA ASP 23 11.806 -1.585 -2.282 186 1HB ASP 23 HB2 ASP 23 12.266 -2.056 -4.699 187 2HB ASP 23 HB1 ASP 23 13.544 -2.636 -3.635 188 H ALA 24 HN ALA 24 10.304 -1.163 -4.415 189 HA ALA 24 HA ALA 24 7.625 -1.568 -3.652 190 1HB ALA 24 HB1 ALA 24 8.429 0.155 -5.210 191 2HB ALA 24 HB2 ALA 24 7.150 -0.795 -5.965 192 3HB ALA 24 HB3 ALA 24 8.835 -1.090 -6.391 193 H ALA 25 HN ALA 25 9.768 -3.648 -5.491 194 HA ALA 25 HA ALA 25 7.882 -5.302 -6.840 195 1HB ALA 25 HB1 ALA 25 10.495 -5.141 -6.879 196 2HB ALA 25 HB2 ALA 25 9.741 -6.709 -7.168 197 3HB ALA 25 HB3 ALA 25 10.419 -6.336 -5.584 198 H THR 26 HN THR 26 8.924 -5.246 -3.475 199 HA THR 26 HA THR 26 7.299 -7.692 -2.899 200 HB THR 26 HB THR 26 9.256 -6.212 -1.121 201 HG1 THR 26 HG1 THR 26 10.429 -6.811 -2.871 202 1HG2 THR 26 HG21 THR 26 9.455 -8.679 -0.284 203 2HG2 THR 26 HG22 THR 26 7.907 -8.898 -1.100 204 3HG2 THR 26 HG23 THR 26 8.058 -7.722 0.206 205 H ALA 27 HN ALA 27 7.569 -4.245 -2.252 206 HA ALA 27 HA ALA 27 5.892 -4.008 0.039 207 1HB ALA 27 HB1 ALA 27 5.938 -1.718 -0.491 208 2HB ALA 27 HB2 ALA 27 5.904 -2.026 -2.227 209 3HB ALA 27 HB3 ALA 27 7.380 -2.319 -1.309 210 H GLU 28 HN GLU 28 5.029 -3.769 -3.431 211 HA GLU 28 HA GLU 28 2.204 -3.435 -3.068 212 1HB GLU 28 HB2 GLU 28 3.728 -3.128 -5.134 213 2HB GLU 28 HB1 GLU 28 3.559 -4.868 -5.365 214 1HG GLU 28 HG2 GLU 28 0.970 -4.274 -5.049 215 2HG GLU 28 HG1 GLU 28 1.518 -2.710 -5.656 216 H LYS 29 HN LYS 29 4.152 -6.386 -3.644 217 HA LYS 29 HA LYS 29 2.060 -8.287 -3.737 218 1HB LYS 29 HB2 LYS 29 4.887 -8.419 -2.647 219 2HB LYS 29 HB1 LYS 29 3.886 -9.842 -2.937 220 1HG LYS 29 HG2 LYS 29 3.591 -8.908 -5.330 221 2HG LYS 29 HG1 LYS 29 4.968 -7.873 -4.949 222 1HD LYS 29 HD2 LYS 29 6.447 -9.648 -4.827 223 2HD LYS 29 HD1 LYS 29 5.193 -10.797 -4.357 224 1HE LYS 29 HE2 LYS 29 4.438 -11.075 -6.569 225 2HE LYS 29 HE1 LYS 29 5.159 -9.544 -7.105 226 1HZ LYS 29 HZ1 LYS 29 6.695 -11.889 -6.118 227 2HZ LYS 29 HZ2 LYS 29 7.345 -10.437 -6.714 228 3HZ LYS 29 HZ3 LYS 29 6.504 -11.485 -7.754 229 H VAL 30 HN VAL 30 3.620 -6.788 -0.923 230 HA VAL 30 HA VAL 30 2.190 -8.506 0.995 231 HB VAL 30 HB VAL 30 3.918 -6.021 1.297 232 1HG1 VAL 30 HG11 VAL 30 2.648 -6.262 3.307 233 2HG1 VAL 30 HG12 VAL 30 4.220 -6.989 3.645 234 3HG1 VAL 30 HG13 VAL 30 2.829 -8.017 3.294 235 1HG2 VAL 30 HG21 VAL 30 5.743 -7.521 1.699 236 2HG2 VAL 30 HG22 VAL 30 4.951 -8.101 0.234 237 3HG2 VAL 30 HG23 VAL 30 4.667 -8.917 1.771 238 H PHE 31 HN PHE 31 2.136 -5.039 0.074 239 HA PHE 31 HA PHE 31 -0.071 -4.346 1.798 240 1HB PHE 31 HB2 PHE 31 1.369 -3.160 -0.554 241 2HB PHE 31 HB1 PHE 31 -0.133 -2.411 -0.016 242 HD1 PHE 31 HD1 PHE 31 3.162 -1.870 0.192 243 HD2 PHE 31 HD2 PHE 31 -0.106 -2.653 2.869 244 HE1 PHE 31 HE1 PHE 31 4.385 -0.729 2.023 245 HE2 PHE 31 HE2 PHE 31 1.118 -1.513 4.698 246 HZ PHE 31 HZ PHE 31 3.363 -0.552 4.274 247 H LYS 32 HN LYS 32 0.130 -5.387 -1.598 248 HA LYS 32 HA LYS 32 -2.604 -4.934 -2.312 249 1HB LYS 32 HB2 LYS 32 -0.670 -5.448 -3.835 250 2HB LYS 32 HB1 LYS 32 -0.706 -7.113 -3.254 251 1HG LYS 32 HG2 LYS 32 -3.100 -7.255 -4.004 252 2HG LYS 32 HG1 LYS 32 -2.917 -5.656 -4.728 253 1HD LYS 32 HD2 LYS 32 -0.730 -6.922 -5.755 254 2HD LYS 32 HD1 LYS 32 -1.861 -8.270 -5.636 255 1HE LYS 32 HE2 LYS 32 -3.572 -6.789 -6.820 256 2HE LYS 32 HE1 LYS 32 -2.232 -5.675 -7.159 257 1HZ LYS 32 HZ1 LYS 32 -0.997 -7.675 -8.009 258 2HZ LYS 32 HZ2 LYS 32 -2.311 -7.180 -8.965 259 3HZ LYS 32 HZ3 LYS 32 -2.461 -8.528 -7.943 260 H GLN 33 HN GLN 33 -0.948 -7.816 -0.996 261 HA GLN 33 HA GLN 33 -3.216 -9.547 -0.877 262 1HB GLN 33 HB2 GLN 33 -0.805 -10.174 -0.627 263 2HB GLN 33 HB1 GLN 33 -0.800 -9.392 0.955 264 1HG GLN 33 HG2 GLN 33 -1.158 -11.768 1.287 265 2HG GLN 33 HG1 GLN 33 -2.668 -10.929 1.643 266 1HE2 GLN 33 HE21 GLN 33 -4.488 -11.344 0.278 267 2HE2 GLN 33 HE22 GLN 33 -4.449 -12.461 -1.000 268 H TYR 34 HN TYR 34 -2.096 -6.990 1.195 269 HA TYR 34 HA TYR 34 -3.811 -7.562 3.474 270 1HB TYR 34 HB2 TYR 34 -1.966 -6.262 4.028 271 2HB TYR 34 HB1 TYR 34 -1.958 -5.428 2.480 272 HD1 TYR 34 HD1 TYR 34 -3.615 -5.617 5.789 273 HD2 TYR 34 HD2 TYR 34 -3.079 -3.335 2.198 274 HE1 TYR 34 HE1 TYR 34 -4.757 -3.681 6.850 275 HE2 TYR 34 HE2 TYR 34 -4.218 -1.398 3.244 276 HH TYR 34 HH TYR 34 -6.121 -1.366 5.454 277 H ALA 35 HN ALA 35 -3.894 -4.967 1.010 278 HA ALA 35 HA ALA 35 -6.520 -4.014 1.583 279 1HB ALA 35 HB1 ALA 35 -5.380 -2.550 0.234 280 2HB ALA 35 HB2 ALA 35 -6.138 -3.472 -1.066 281 3HB ALA 35 HB3 ALA 35 -4.487 -3.845 -0.570 282 H ASN 36 HN ASN 36 -5.417 -6.297 -0.944 283 HA ASN 36 HA ASN 36 -7.901 -6.883 -2.128 284 1HB ASN 36 HB2 ASN 36 -5.563 -7.531 -2.850 285 2HB ASN 36 HB1 ASN 36 -5.617 -8.811 -1.637 286 1HD2 ASN 36 HD21 ASN 36 -7.123 -10.603 -1.991 287 2HD2 ASN 36 HD22 ASN 36 -7.830 -10.870 -3.511 288 H ASP 37 HN ASP 37 -6.454 -8.155 0.837 289 HA ASP 37 HA ASP 37 -8.447 -10.261 1.215 290 1HB ASP 37 HB2 ASP 37 -6.101 -10.316 2.059 291 2HB ASP 37 HB1 ASP 37 -6.475 -8.963 3.127 292 H ASN 38 HN ASN 38 -8.030 -6.909 2.235 293 HA ASN 38 HA ASN 38 -10.242 -6.994 4.170 294 1HB ASN 38 HB2 ASN 38 -8.364 -4.930 3.020 295 2HB ASN 38 HB1 ASN 38 -9.717 -4.443 4.042 296 1HD2 ASN 38 HD21 ASN 38 -7.034 -6.866 4.073 297 2HD2 ASN 38 HD22 ASN 38 -6.729 -6.718 5.737 298 H GLY 39 HN GLY 39 -9.648 -5.497 0.974 299 1HA GLY 39 HA2 GLY 39 -11.644 -5.803 -0.612 300 2HA GLY 39 HA1 GLY 39 -12.597 -5.107 0.699 301 H ILE 40 HN ILE 40 -9.406 -4.210 -0.652 302 HA ILE 40 HA ILE 40 -10.491 -1.442 -1.049 303 HB ILE 40 HB ILE 40 -7.698 -2.439 -0.389 304 1HG1 ILE 40 HG12 ILE 40 -9.712 -0.860 1.248 305 2HG1 ILE 40 HG11 ILE 40 -9.369 -2.575 1.457 306 1HG2 ILE 40 HG21 ILE 40 -7.575 0.202 0.089 307 2HG2 ILE 40 HG22 ILE 40 -8.783 0.228 -1.193 308 3HG2 ILE 40 HG23 ILE 40 -7.189 -0.467 -1.498 309 1HD1 ILE 40 HD11 ILE 40 -7.947 -0.314 2.531 310 2HD1 ILE 40 HD12 ILE 40 -6.858 -1.246 1.501 311 3HD1 ILE 40 HD13 ILE 40 -7.686 -2.028 2.847 312 H ASP 41 HN ASP 41 -11.049 -2.933 -3.180 313 HA ASP 41 HA ASP 41 -8.832 -3.071 -5.108 314 1HB ASP 41 HB2 ASP 41 -10.664 -3.839 -6.613 315 2HB ASP 41 HB1 ASP 41 -10.680 -4.710 -5.081 316 H GLY 42 HN GLY 42 -8.664 -0.556 -4.398 317 1HA GLY 42 HA2 GLY 42 -10.455 1.163 -5.995 318 2HA GLY 42 HA1 GLY 42 -9.227 1.710 -4.851 319 H GLU 43 HN GLU 43 -8.057 3.062 -6.142 320 HA GLU 43 HA GLU 43 -6.875 1.942 -8.617 321 1HB GLU 43 HB2 GLU 43 -7.627 4.731 -7.726 322 2HB GLU 43 HB1 GLU 43 -6.592 4.450 -9.126 323 1HG GLU 43 HG2 GLU 43 -8.310 3.273 -10.287 324 2HG GLU 43 HG1 GLU 43 -9.297 3.133 -8.832 325 H TRP 44 HN TRP 44 -4.854 1.224 -8.073 326 HA TRP 44 HA TRP 44 -3.389 2.347 -5.856 327 1HB TRP 44 HB2 TRP 44 -2.907 0.217 -7.921 328 2HB TRP 44 HB1 TRP 44 -1.682 0.644 -6.718 329 HD1 TRP 44 HD1 TRP 44 -5.350 -0.518 -6.916 330 HE1 TRP 44 HE1 TRP 44 -5.916 -1.769 -4.731 331 HE3 TRP 44 HE3 TRP 44 -0.991 0.175 -4.347 332 HZ2 TRP 44 HZ2 TRP 44 -4.685 -2.373 -2.232 333 HZ3 TRP 44 HZ3 TRP 44 -0.716 -0.749 -2.063 334 HH2 TRP 44 HH2 TRP 44 -2.557 -2.027 -1.003 335 H THR 45 HN THR 45 -1.590 3.575 -5.875 336 HA THR 45 HA THR 45 -0.255 4.348 -8.387 337 HB THR 45 HB THR 45 -0.616 6.801 -7.647 338 HG1 THR 45 HG1 THR 45 -1.977 7.134 -6.083 339 1HG2 THR 45 HG21 THR 45 -2.453 6.984 -9.076 340 2HG2 THR 45 HG22 THR 45 -3.190 5.496 -8.481 341 3HG2 THR 45 HG23 THR 45 -1.785 5.421 -9.545 342 H TYR 46 HN TYR 46 1.889 4.539 -7.912 343 HA TYR 46 HA TYR 46 2.682 4.561 -5.040 344 1HB TYR 46 HB2 TYR 46 3.508 2.688 -6.250 345 2HB TYR 46 HB1 TYR 46 3.881 3.656 -7.669 346 HD1 TYR 46 HD1 TYR 46 5.041 2.572 -4.351 347 HD2 TYR 46 HD2 TYR 46 5.891 5.065 -7.744 348 HE1 TYR 46 HE1 TYR 46 7.380 2.821 -3.582 349 HE2 TYR 46 HE2 TYR 46 8.231 5.318 -6.972 350 HH TYR 46 HH TYR 46 9.809 3.643 -5.341 351 H ASP 47 HN ASP 47 3.620 6.381 -4.204 352 HA ASP 47 HA ASP 47 4.270 8.644 -6.017 353 1HB ASP 47 HB2 ASP 47 3.586 8.205 -3.140 354 2HB ASP 47 HB1 ASP 47 4.552 9.626 -3.537 355 H ASP 48 HN ASP 48 6.361 8.562 -6.760 356 HA ASP 48 HA ASP 48 8.525 7.219 -5.398 357 1HB ASP 48 HB2 ASP 48 9.857 8.211 -7.220 358 2HB ASP 48 HB1 ASP 48 8.340 7.570 -7.846 359 H ALA 49 HN ALA 49 7.218 10.454 -5.197 360 HA ALA 49 HA ALA 49 9.410 11.967 -4.312 361 1HB ALA 49 HB1 ALA 49 7.336 13.031 -4.766 362 2HB ALA 49 HB2 ALA 49 7.543 13.201 -3.023 363 3HB ALA 49 HB3 ALA 49 6.461 11.966 -3.666 364 H THR 50 HN THR 50 7.298 9.790 -2.438 365 HA THR 50 HA THR 50 9.367 9.711 -0.293 366 HB THR 50 HB THR 50 7.570 10.122 1.385 367 HG1 THR 50 HG1 THR 50 5.732 9.565 0.396 368 1HG2 THR 50 HG21 THR 50 7.416 12.496 1.031 369 2HG2 THR 50 HG22 THR 50 7.638 12.307 -0.708 370 3HG2 THR 50 HG23 THR 50 8.976 11.977 0.393 371 H LYS 51 HN LYS 51 7.957 7.855 -2.415 372 HA LYS 51 HA LYS 51 7.242 5.605 -2.516 373 1HB LYS 51 HB2 LYS 51 9.282 5.978 -0.473 374 2HB LYS 51 HB1 LYS 51 8.238 4.618 -0.066 375 1HG LYS 51 HG2 LYS 51 9.692 3.498 -1.441 376 2HG LYS 51 HG1 LYS 51 8.598 4.107 -2.685 377 1HD LYS 51 HD2 LYS 51 10.887 4.614 -3.344 378 2HD LYS 51 HD1 LYS 51 10.074 6.121 -2.919 379 1HE LYS 51 HE2 LYS 51 11.359 6.431 -1.030 380 2HE LYS 51 HE1 LYS 51 11.509 4.689 -0.723 381 1HZ LYS 51 HZ1 LYS 51 12.803 6.171 -2.952 382 2HZ LYS 51 HZ2 LYS 51 12.927 4.500 -2.672 383 3HZ LYS 51 HZ3 LYS 51 13.593 5.602 -1.564 384 H THR 52 HN THR 52 4.960 5.827 -2.283 385 HA THR 52 HA THR 52 3.876 4.854 0.282 386 HB THR 52 HB THR 52 3.164 7.581 -0.848 387 HG1 THR 52 HG1 THR 52 4.482 6.899 1.564 388 1HG2 THR 52 HG21 THR 52 1.543 7.762 0.791 389 2HG2 THR 52 HG22 THR 52 2.361 6.633 1.871 390 3HG2 THR 52 HG23 THR 52 1.456 6.028 0.485 391 H PHE 53 HN PHE 53 2.726 3.176 -0.664 392 HA PHE 53 HA PHE 53 1.424 3.261 -3.226 393 1HB PHE 53 HB2 PHE 53 1.139 1.577 -0.723 394 2HB PHE 53 HB1 PHE 53 0.201 1.247 -2.179 395 HD1 PHE 53 HD1 PHE 53 1.229 0.346 -4.158 396 HD2 PHE 53 HD2 PHE 53 3.601 1.388 -0.737 397 HE1 PHE 53 HE1 PHE 53 3.167 -0.860 -5.135 398 HE2 PHE 53 HE2 PHE 53 5.539 0.183 -1.706 399 HZ PHE 53 HZ PHE 53 5.322 -0.941 -3.909 400 H THR 54 HN THR 54 -0.511 4.236 -3.768 401 HA THR 54 HA THR 54 -2.296 5.101 -1.499 402 HB THR 54 HB THR 54 -1.722 6.442 -4.157 403 HG1 THR 54 HG1 THR 54 0.062 6.662 -2.931 404 1HG2 THR 54 HG21 THR 54 -2.895 7.896 -1.846 405 2HG2 THR 54 HG22 THR 54 -3.958 6.763 -2.681 406 3HG2 THR 54 HG23 THR 54 -3.205 8.087 -3.572 407 H VAL 55 HN VAL 55 -4.058 3.673 -1.602 408 HA VAL 55 HA VAL 55 -5.313 3.237 -4.252 409 HB VAL 55 HB VAL 55 -4.525 1.204 -2.998 410 1HG1 VAL 55 HG11 VAL 55 -6.755 1.834 -1.079 411 2HG1 VAL 55 HG12 VAL 55 -5.066 2.208 -0.725 412 3HG1 VAL 55 HG13 VAL 55 -5.566 0.529 -0.961 413 1HG2 VAL 55 HG21 VAL 55 -7.533 1.262 -3.113 414 2HG2 VAL 55 HG22 VAL 55 -6.453 -0.087 -3.465 415 3HG2 VAL 55 HG23 VAL 55 -6.546 1.281 -4.574 416 H THR 56 HN THR 56 -7.776 3.084 -4.101 417 HA THR 56 HA THR 56 -9.091 4.482 -1.882 418 HB THR 56 HB THR 56 -8.746 5.684 -4.644 419 HG1 THR 56 HG1 THR 56 -7.089 6.522 -3.697 420 1HG2 THR 56 HG21 THR 56 -9.925 7.668 -3.420 421 2HG2 THR 56 HG22 THR 56 -10.508 6.422 -2.317 422 3HG2 THR 56 HG23 THR 56 -10.916 6.344 -4.031 423 H GLU 57 HN GLU 57 -10.928 3.222 -1.719 424 HA GLU 57 HA GLU 57 -12.004 1.562 -3.781 425 1HB GLU 57 HB2 GLU 57 -12.835 2.614 -1.114 426 2HB GLU 57 HB1 GLU 57 -14.094 1.906 -2.123 427 1HG GLU 57 HG2 GLU 57 -11.471 0.513 -1.538 428 2HG GLU 57 HG1 GLU 57 -12.929 0.269 -0.577 Start of MODEL 36 1 1H MET 1 HT1 MET 1 17.865 -0.273 2.201 2 2H MET 1 HT2 MET 1 18.000 -1.167 3.639 3 3H MET 1 HT3 MET 1 17.305 0.382 3.661 4 HA MET 1 HA MET 1 16.144 -1.919 2.175 5 1HB MET 1 HB2 MET 1 16.090 -1.023 5.008 6 2HB MET 1 HB1 MET 1 14.533 -1.475 4.314 7 1HG MET 1 HG2 MET 1 16.975 -3.234 4.048 8 2HG MET 1 HG1 MET 1 15.876 -3.359 5.421 9 1HE MET 1 HE1 MET 1 15.413 -6.270 2.622 10 2HE MET 1 HE2 MET 1 15.935 -6.002 4.284 11 3HE MET 1 HE3 MET 1 16.848 -5.292 2.955 12 H THR 2 HN THR 2 13.809 -1.415 1.727 13 HA THR 2 HA THR 2 13.382 1.528 1.317 14 HB THR 2 HB THR 2 12.379 -0.823 -0.320 15 HG1 THR 2 HG1 THR 2 14.170 -0.684 -1.402 16 1HG2 THR 2 HG21 THR 2 11.970 0.996 -2.005 17 2HG2 THR 2 HG22 THR 2 12.368 2.173 -0.752 18 3HG2 THR 2 HG23 THR 2 10.964 1.122 -0.561 19 H THR 3 HN THR 3 11.862 2.169 2.802 20 HA THR 3 HA THR 3 9.764 0.312 3.679 21 HB THR 3 HB THR 3 10.486 3.116 4.564 22 HG1 THR 3 HG1 THR 3 11.476 1.893 6.305 23 1HG2 THR 3 HG21 THR 3 8.731 0.951 5.741 24 2HG2 THR 3 HG22 THR 3 8.261 2.587 5.280 25 3HG2 THR 3 HG23 THR 3 9.310 2.331 6.674 26 H PHE 4 HN PHE 4 8.382 0.308 1.798 27 HA PHE 4 HA PHE 4 7.432 2.729 0.525 28 1HB PHE 4 HB2 PHE 4 6.422 -0.129 0.648 29 2HB PHE 4 HB1 PHE 4 5.757 1.091 -0.434 30 HD1 PHE 4 HD1 PHE 4 8.587 -1.112 0.274 31 HD2 PHE 4 HD2 PHE 4 7.147 2.047 -2.255 32 HE1 PHE 4 HE1 PHE 4 10.410 -1.575 -1.340 33 HE2 PHE 4 HE2 PHE 4 8.972 1.585 -3.870 34 HZ PHE 4 HZ PHE 4 10.602 -0.228 -3.412 35 H LYS 5 HN LYS 5 4.949 3.183 0.530 36 HA LYS 5 HA LYS 5 3.751 2.781 3.241 37 1HB LYS 5 HB2 LYS 5 5.017 4.914 3.153 38 2HB LYS 5 HB1 LYS 5 4.060 5.413 1.758 39 1HG LYS 5 HG2 LYS 5 2.013 5.342 3.093 40 2HG LYS 5 HG1 LYS 5 2.914 4.740 4.485 41 1HD LYS 5 HD2 LYS 5 3.806 7.294 3.198 42 2HD LYS 5 HD1 LYS 5 2.386 7.326 4.245 43 1HE LYS 5 HE2 LYS 5 3.648 6.449 6.114 44 2HE LYS 5 HE1 LYS 5 5.057 6.143 5.078 45 1HZ LYS 5 HZ1 LYS 5 5.083 8.528 4.536 46 2HZ LYS 5 HZ2 LYS 5 5.339 8.246 6.192 47 3HZ LYS 5 HZ3 LYS 5 3.825 8.788 5.643 48 H LEU 6 HN LEU 6 1.792 1.841 2.828 49 HA LEU 6 HA LEU 6 0.364 2.402 0.282 50 1HB LEU 6 HB2 LEU 6 0.891 0.131 1.588 51 2HB LEU 6 HB1 LEU 6 -0.586 0.549 2.436 52 HG LEU 6 HG LEU 6 -0.199 -0.444 -0.331 53 1HD1 LEU 6 HD11 LEU 6 -1.409 -1.916 0.953 54 2HD1 LEU 6 HD12 LEU 6 -2.744 -0.978 0.285 55 3HD1 LEU 6 HD13 LEU 6 -2.158 -0.639 1.913 56 1HD2 LEU 6 HD21 LEU 6 -0.979 1.697 -1.068 57 2HD2 LEU 6 HD22 LEU 6 -2.145 1.812 0.250 58 3HD2 LEU 6 HD23 LEU 6 -2.403 0.657 -1.061 59 H ILE 7 HN ILE 7 -1.004 4.192 0.402 60 HA ILE 7 HA ILE 7 -2.064 5.267 2.846 61 HB ILE 7 HB ILE 7 -1.755 6.176 0.348 62 1HG1 ILE 7 HG12 ILE 7 -3.439 7.977 0.916 63 2HG1 ILE 7 HG11 ILE 7 -3.900 7.004 2.312 64 1HG2 ILE 7 HG21 ILE 7 -3.756 4.519 -0.270 65 2HG2 ILE 7 HG22 ILE 7 -3.569 6.078 -1.069 66 3HG2 ILE 7 HG23 ILE 7 -4.726 5.896 0.248 67 1HD1 ILE 7 HD11 ILE 7 -2.094 8.831 2.659 68 2HD1 ILE 7 HD12 ILE 7 -1.017 7.722 1.811 69 3HD1 ILE 7 HD13 ILE 7 -1.781 7.227 3.322 70 H ILE 8 HN ILE 8 -4.619 5.370 3.149 71 HA ILE 8 HA ILE 8 -5.808 2.707 2.471 72 HB ILE 8 HB ILE 8 -5.789 4.093 5.176 73 1HG1 ILE 8 HG12 ILE 8 -4.429 1.530 4.273 74 2HG1 ILE 8 HG11 ILE 8 -3.604 3.072 4.495 75 1HG2 ILE 8 HG21 ILE 8 -7.793 2.887 5.143 76 2HG2 ILE 8 HG22 ILE 8 -6.668 1.697 5.793 77 3HG2 ILE 8 HG23 ILE 8 -7.137 1.631 4.095 78 1HD1 ILE 8 HD11 ILE 8 -3.574 2.862 6.753 79 2HD1 ILE 8 HD12 ILE 8 -3.920 1.159 6.455 80 3HD1 ILE 8 HD13 ILE 8 -5.237 2.277 6.810 81 H ASN 9 HN ASN 9 -6.827 4.375 0.844 82 HA ASN 9 HA ASN 9 -8.997 6.000 2.071 83 1HB ASN 9 HB2 ASN 9 -8.033 5.614 -0.784 84 2HB ASN 9 HB1 ASN 9 -9.272 6.765 -0.292 85 1HD2 ASN 9 HD21 ASN 9 -6.579 7.361 -1.470 86 2HD2 ASN 9 HD22 ASN 9 -5.791 8.344 -0.331 87 H GLY 10 HN GLY 10 -9.393 3.340 2.575 88 1HA GLY 10 HA2 GLY 10 -11.381 2.431 0.537 89 2HA GLY 10 HA1 GLY 10 -10.528 1.355 1.648 90 H LYS 11 HN LYS 11 -13.401 1.570 1.336 91 HA LYS 11 HA LYS 11 -14.552 3.082 3.519 92 1HB LYS 11 HB2 LYS 11 -16.532 1.650 3.003 93 2HB LYS 11 HB1 LYS 11 -15.819 2.346 1.549 94 1HG LYS 11 HG2 LYS 11 -15.081 0.318 0.775 95 2HG LYS 11 HG1 LYS 11 -14.761 -0.303 2.393 96 1HD LYS 11 HD2 LYS 11 -17.541 0.103 1.256 97 2HD LYS 11 HD1 LYS 11 -16.686 -1.440 1.241 98 1HE LYS 11 HE2 LYS 11 -16.515 -0.451 3.910 99 2HE LYS 11 HE1 LYS 11 -18.203 -0.271 3.395 100 1HZ LYS 11 HZ1 LYS 11 -17.867 -2.498 4.202 101 2HZ LYS 11 HZ2 LYS 11 -16.536 -2.722 3.170 102 3HZ LYS 11 HZ3 LYS 11 -18.098 -2.558 2.523 103 H THR 12 HN THR 12 -12.673 0.197 3.456 104 HA THR 12 HA THR 12 -13.898 -1.008 5.847 105 HB THR 12 HB THR 12 -11.287 -1.687 4.473 106 HG1 THR 12 HG1 THR 12 -12.516 -2.943 3.079 107 1HG2 THR 12 HG21 THR 12 -12.330 -2.738 6.709 108 2HG2 THR 12 HG22 THR 12 -11.451 -3.717 5.535 109 3HG2 THR 12 HG23 THR 12 -13.214 -3.699 5.524 110 H LEU 13 HN LEU 13 -10.987 0.870 4.995 111 HA LEU 13 HA LEU 13 -10.531 1.305 7.928 112 1HB LEU 13 HB2 LEU 13 -8.711 0.182 5.824 113 2HB LEU 13 HB1 LEU 13 -8.011 1.126 7.139 114 HG LEU 13 HG LEU 13 -9.883 -1.216 7.570 115 1HD1 LEU 13 HD11 LEU 13 -6.870 -1.155 7.891 116 2HD1 LEU 13 HD12 LEU 13 -7.684 -1.833 6.482 117 3HD1 LEU 13 HD13 LEU 13 -7.935 -2.549 8.074 118 1HD2 LEU 13 HD21 LEU 13 -9.951 0.087 9.513 119 2HD2 LEU 13 HD22 LEU 13 -8.283 0.630 9.325 120 3HD2 LEU 13 HD23 LEU 13 -8.620 -1.014 9.866 121 H LYS 14 HN LYS 14 -8.468 2.998 7.932 122 HA LYS 14 HA LYS 14 -8.585 5.006 5.805 123 1HB LYS 14 HB2 LYS 14 -10.635 5.053 7.591 124 2HB LYS 14 HB1 LYS 14 -9.470 6.082 8.425 125 1HG LYS 14 HG2 LYS 14 -9.235 7.108 5.948 126 2HG LYS 14 HG1 LYS 14 -10.903 6.540 5.856 127 1HD LYS 14 HD2 LYS 14 -10.120 8.011 8.324 128 2HD LYS 14 HD1 LYS 14 -10.267 8.958 6.843 129 1HE LYS 14 HE2 LYS 14 -12.550 8.551 6.645 130 2HE LYS 14 HE1 LYS 14 -12.452 7.011 7.523 131 1HZ LYS 14 HZ1 LYS 14 -11.920 9.664 8.748 132 2HZ LYS 14 HZ2 LYS 14 -12.006 8.168 9.549 133 3HZ LYS 14 HZ3 LYS 14 -13.403 8.851 8.866 134 H GLY 15 HN GLY 15 -6.568 5.909 5.770 135 1HA GLY 15 HA2 GLY 15 -5.036 7.289 7.358 136 2HA GLY 15 HA1 GLY 15 -4.915 5.770 8.244 137 H GLU 16 HN GLU 16 -2.802 5.184 7.861 138 HA GLU 16 HA GLU 16 -2.072 4.565 5.036 139 1HB GLU 16 HB2 GLU 16 0.131 5.671 5.423 140 2HB GLU 16 HB1 GLU 16 -1.210 6.809 5.545 141 1HG GLU 16 HG2 GLU 16 -1.099 6.852 7.920 142 2HG GLU 16 HG1 GLU 16 -0.084 5.411 7.976 143 H THR 17 HN THR 17 0.097 3.285 5.068 144 HA THR 17 HA THR 17 0.588 1.762 7.561 145 HB THR 17 HB THR 17 -0.206 0.364 4.996 146 HG1 THR 17 HG1 THR 17 -2.198 0.724 5.489 147 1HG2 THR 17 HG21 THR 17 -0.119 -1.580 6.225 148 2HG2 THR 17 HG22 THR 17 -0.548 -0.771 7.732 149 3HG2 THR 17 HG23 THR 17 1.095 -0.648 7.101 150 H THR 18 HN THR 18 2.655 0.786 7.546 151 HA THR 18 HA THR 18 4.285 1.111 5.052 152 HB THR 18 HB THR 18 6.127 1.846 6.613 153 HG1 THR 18 HG1 THR 18 5.681 2.148 8.698 154 1HG2 THR 18 HG21 THR 18 3.673 3.586 6.893 155 2HG2 THR 18 HG22 THR 18 4.533 3.408 5.363 156 3HG2 THR 18 HG23 THR 18 5.357 4.094 6.764 157 H THR 19 HN THR 19 6.376 -0.217 5.259 158 HA THR 19 HA THR 19 6.413 -2.455 7.138 159 HB THR 19 HB THR 19 4.590 -3.106 5.612 160 HG1 THR 19 HG1 THR 19 5.462 -4.967 5.973 161 1HG2 THR 19 HG21 THR 19 6.546 -3.204 3.331 162 2HG2 THR 19 HG22 THR 19 5.691 -1.703 3.688 163 3HG2 THR 19 HG23 THR 19 4.783 -3.159 3.282 164 H GLU 20 HN GLU 20 8.135 -4.148 6.189 165 HA GLU 20 HA GLU 20 10.450 -2.518 5.227 166 1HB GLU 20 HB2 GLU 20 10.002 -4.882 6.993 167 2HB GLU 20 HB1 GLU 20 11.522 -4.828 6.098 168 1HG GLU 20 HG2 GLU 20 12.123 -2.721 7.064 169 2HG GLU 20 HG1 GLU 20 10.506 -2.492 7.730 170 H ALA 21 HN ALA 21 10.352 -2.648 2.973 171 HA ALA 21 HA ALA 21 10.404 -5.405 1.784 172 1HB ALA 21 HB1 ALA 21 9.376 -3.811 -0.183 173 2HB ALA 21 HB2 ALA 21 8.755 -3.000 1.256 174 3HB ALA 21 HB3 ALA 21 8.381 -4.700 0.971 175 H VAL 22 HN VAL 22 12.121 -5.750 0.392 176 HA VAL 22 HA VAL 22 14.322 -3.962 0.235 177 HB VAL 22 HB VAL 22 15.084 -5.581 -1.482 178 1HG1 VAL 22 HG11 VAL 22 15.575 -6.502 0.556 179 2HG1 VAL 22 HG12 VAL 22 14.393 -7.696 0.020 180 3HG1 VAL 22 HG13 VAL 22 13.905 -6.403 1.115 181 1HG2 VAL 22 HG21 VAL 22 12.759 -5.811 -2.519 182 2HG2 VAL 22 HG22 VAL 22 12.385 -6.907 -1.190 183 3HG2 VAL 22 HG23 VAL 22 13.668 -7.308 -2.330 184 H ASP 23 HN ASP 23 11.440 -4.271 -1.753 185 HA ASP 23 HA ASP 23 11.874 -1.715 -3.034 186 1HB ASP 23 HB2 ASP 23 12.214 -2.649 -5.341 187 2HB ASP 23 HB1 ASP 23 13.560 -2.975 -4.254 188 H ALA 24 HN ALA 24 10.228 -1.579 -5.017 189 HA ALA 24 HA ALA 24 7.608 -1.948 -4.074 190 1HB ALA 24 HB1 ALA 24 8.805 -0.703 -6.157 191 2HB ALA 24 HB2 ALA 24 7.062 -0.960 -6.074 192 3HB ALA 24 HB3 ALA 24 8.073 -2.064 -7.007 193 H ALA 25 HN ALA 25 9.695 -4.188 -5.786 194 HA ALA 25 HA ALA 25 7.732 -6.051 -6.726 195 1HB ALA 25 HB1 ALA 25 9.757 -6.578 -7.626 196 2HB ALA 25 HB2 ALA 25 9.996 -7.525 -6.157 197 3HB ALA 25 HB3 ALA 25 10.637 -5.885 -6.264 198 H THR 26 HN THR 26 9.054 -5.465 -3.534 199 HA THR 26 HA THR 26 7.799 -7.979 -2.503 200 HB THR 26 HB THR 26 9.738 -6.083 -1.151 201 HG1 THR 26 HG1 THR 26 10.316 -8.459 -2.581 202 1HG2 THR 26 HG21 THR 26 10.255 -8.098 0.196 203 2HG2 THR 26 HG22 THR 26 9.017 -8.990 -0.688 204 3HG2 THR 26 HG23 THR 26 8.560 -7.632 0.340 205 H ALA 27 HN ALA 27 7.695 -4.470 -2.326 206 HA ALA 27 HA ALA 27 6.150 -4.241 0.106 207 1HB ALA 27 HB1 ALA 27 7.431 -2.578 -1.739 208 2HB ALA 27 HB2 ALA 27 6.517 -2.046 -0.328 209 3HB ALA 27 HB3 ALA 27 5.726 -2.154 -1.901 210 H GLU 28 HN GLU 28 5.215 -4.176 -3.349 211 HA GLU 28 HA GLU 28 2.401 -3.875 -2.981 212 1HB GLU 28 HB2 GLU 28 3.776 -3.656 -5.093 213 2HB GLU 28 HB1 GLU 28 3.856 -5.417 -5.152 214 1HG GLU 28 HG2 GLU 28 1.487 -5.612 -5.408 215 2HG GLU 28 HG1 GLU 28 1.236 -3.914 -5.004 216 H LYS 29 HN LYS 29 4.406 -6.830 -3.177 217 HA LYS 29 HA LYS 29 2.315 -8.757 -3.160 218 1HB LYS 29 HB2 LYS 29 5.160 -8.689 -2.154 219 2HB LYS 29 HB1 LYS 29 4.181 -10.151 -2.037 220 1HG LYS 29 HG2 LYS 29 3.723 -9.920 -4.520 221 2HG LYS 29 HG1 LYS 29 4.951 -8.653 -4.551 222 1HD LYS 29 HD2 LYS 29 6.672 -10.132 -4.316 223 2HD LYS 29 HD1 LYS 29 5.771 -11.159 -3.201 224 1HE LYS 29 HE2 LYS 29 4.366 -11.531 -5.540 225 2HE LYS 29 HE1 LYS 29 6.033 -11.369 -6.131 226 1HZ LYS 29 HZ1 LYS 29 5.686 -13.637 -5.495 227 2HZ LYS 29 HZ2 LYS 29 5.069 -13.179 -3.980 228 3HZ LYS 29 HZ3 LYS 29 6.709 -12.924 -4.345 229 H VAL 30 HN VAL 30 3.858 -7.012 -0.477 230 HA VAL 30 HA VAL 30 2.357 -8.509 1.567 231 HB VAL 30 HB VAL 30 4.137 -6.047 1.679 232 1HG1 VAL 30 HG11 VAL 30 3.030 -5.982 3.723 233 2HG1 VAL 30 HG12 VAL 30 4.375 -7.053 4.116 234 3HG1 VAL 30 HG13 VAL 30 2.784 -7.728 3.762 235 1HG2 VAL 30 HG21 VAL 30 4.766 -8.950 2.304 236 2HG2 VAL 30 HG22 VAL 30 5.897 -7.597 2.344 237 3HG2 VAL 30 HG23 VAL 30 5.220 -8.135 0.807 238 H PHE 31 HN PHE 31 2.321 -5.226 0.155 239 HA PHE 31 HA PHE 31 0.156 -4.263 1.828 240 1HB PHE 31 HB2 PHE 31 1.584 -3.388 -0.673 241 2HB PHE 31 HB1 PHE 31 0.146 -2.519 -0.140 242 HD1 PHE 31 HD1 PHE 31 0.298 -2.499 2.750 243 HD2 PHE 31 HD2 PHE 31 3.474 -2.130 -0.122 244 HE1 PHE 31 HE1 PHE 31 1.663 -1.274 4.417 245 HE2 PHE 31 HE2 PHE 31 4.836 -0.904 1.547 246 HZ PHE 31 HZ PHE 31 3.933 -0.477 3.816 247 H LYS 32 HN LYS 32 0.330 -5.665 -1.445 248 HA LYS 32 HA LYS 32 -2.410 -5.262 -2.183 249 1HB LYS 32 HB2 LYS 32 -0.573 -5.927 -3.715 250 2HB LYS 32 HB1 LYS 32 -0.453 -7.486 -2.896 251 1HG LYS 32 HG2 LYS 32 -2.696 -8.090 -3.590 252 2HG LYS 32 HG1 LYS 32 -2.972 -6.478 -4.253 253 1HD LYS 32 HD2 LYS 32 -1.557 -6.835 -6.072 254 2HD LYS 32 HD1 LYS 32 -0.645 -8.097 -5.243 255 1HE LYS 32 HE2 LYS 32 -3.107 -9.254 -5.289 256 2HE LYS 32 HE1 LYS 32 -3.168 -8.309 -6.790 257 1HZ LYS 32 HZ1 LYS 32 -0.911 -9.180 -7.294 258 2HZ LYS 32 HZ2 LYS 32 -2.116 -10.378 -7.283 259 3HZ LYS 32 HZ3 LYS 32 -1.054 -10.225 -5.966 260 H GLN 33 HN GLN 33 -0.761 -7.996 -0.574 261 HA GLN 33 HA GLN 33 -3.055 -9.675 -0.242 262 1HB GLN 33 HB2 GLN 33 -0.651 -10.324 0.010 263 2HB GLN 33 HB1 GLN 33 -0.585 -9.377 1.497 264 1HG GLN 33 HG2 GLN 33 -0.978 -11.647 2.162 265 2HG GLN 33 HG1 GLN 33 -2.515 -10.800 2.350 266 1HE2 GLN 33 HE21 GLN 33 -4.259 -11.358 0.899 267 2HE2 GLN 33 HE22 GLN 33 -4.164 -12.676 -0.166 268 H TYR 34 HN TYR 34 -1.766 -7.007 1.590 269 HA TYR 34 HA TYR 34 -3.415 -7.274 3.947 270 1HB TYR 34 HB2 TYR 34 -1.537 -5.928 4.248 271 2HB TYR 34 HB1 TYR 34 -1.639 -5.242 2.631 272 HD1 TYR 34 HD1 TYR 34 -3.090 -5.140 6.043 273 HD2 TYR 34 HD2 TYR 34 -2.802 -3.191 2.233 274 HE1 TYR 34 HE1 TYR 34 -4.198 -3.127 6.990 275 HE2 TYR 34 HE2 TYR 34 -3.908 -1.178 3.167 276 HH TYR 34 HH TYR 34 -4.417 -0.776 6.560 277 H ALA 35 HN ALA 35 -3.638 -5.042 1.153 278 HA ALA 35 HA ALA 35 -6.220 -3.986 1.755 279 1HB ALA 35 HB1 ALA 35 -6.022 -3.812 -0.957 280 2HB ALA 35 HB2 ALA 35 -4.341 -4.150 -0.540 281 3HB ALA 35 HB3 ALA 35 -5.157 -2.739 0.145 282 H ASN 36 HN ASN 36 -5.234 -6.815 -0.169 283 HA ASN 36 HA ASN 36 -7.724 -7.501 -1.309 284 1HB ASN 36 HB2 ASN 36 -5.162 -8.827 -0.612 285 2HB ASN 36 HB1 ASN 36 -6.529 -9.906 -0.893 286 1HD2 ASN 36 HD21 ASN 36 -4.189 -9.601 -2.668 287 2HD2 ASN 36 HD22 ASN 36 -4.781 -9.042 -4.157 288 H ASP 37 HN ASP 37 -6.367 -8.322 1.878 289 HA ASP 37 HA ASP 37 -8.515 -10.081 2.687 290 1HB ASP 37 HB2 ASP 37 -6.218 -10.017 3.648 291 2HB ASP 37 HB1 ASP 37 -6.564 -8.423 4.321 292 H ASN 38 HN ASN 38 -7.843 -6.621 3.253 293 HA ASN 38 HA ASN 38 -10.238 -6.186 4.857 294 1HB ASN 38 HB2 ASN 38 -8.190 -4.445 3.466 295 2HB ASN 38 HB1 ASN 38 -9.538 -3.754 4.370 296 1HD2 ASN 38 HD21 ASN 38 -6.679 -5.885 4.726 297 2HD2 ASN 38 HD22 ASN 38 -6.518 -5.653 6.400 298 H GLY 39 HN GLY 39 -9.425 -6.007 1.437 299 1HA GLY 39 HA2 GLY 39 -11.108 -6.173 -0.296 300 2HA GLY 39 HA1 GLY 39 -12.291 -5.509 0.831 301 H ILE 40 HN ILE 40 -9.070 -4.390 -0.275 302 HA ILE 40 HA ILE 40 -10.311 -1.716 -0.798 303 HB ILE 40 HB ILE 40 -7.463 -2.583 -0.198 304 1HG1 ILE 40 HG12 ILE 40 -9.472 -1.001 1.438 305 2HG1 ILE 40 HG11 ILE 40 -9.083 -2.700 1.697 306 1HG2 ILE 40 HG21 ILE 40 -8.670 0.036 -1.018 307 2HG2 ILE 40 HG22 ILE 40 -7.094 -0.643 -1.434 308 3HG2 ILE 40 HG23 ILE 40 -7.363 0.054 0.165 309 1HD1 ILE 40 HD11 ILE 40 -7.855 -0.886 3.127 310 2HD1 ILE 40 HD12 ILE 40 -6.884 -0.645 1.673 311 3HD1 ILE 40 HD13 ILE 40 -6.917 -2.223 2.459 312 H ASP 41 HN ASP 41 -10.910 -3.202 -2.882 313 HA ASP 41 HA ASP 41 -8.743 -3.325 -4.879 314 1HB ASP 41 HB2 ASP 41 -10.584 -4.217 -6.296 315 2HB ASP 41 HB1 ASP 41 -10.518 -5.041 -4.740 316 H GLY 42 HN GLY 42 -8.729 -0.772 -4.167 317 1HA GLY 42 HA2 GLY 42 -10.634 0.829 -5.728 318 2HA GLY 42 HA1 GLY 42 -9.355 1.447 -4.681 319 H GLU 43 HN GLU 43 -8.278 2.782 -6.047 320 HA GLU 43 HA GLU 43 -7.221 1.627 -8.562 321 1HB GLU 43 HB2 GLU 43 -7.150 4.024 -9.327 322 2HB GLU 43 HB1 GLU 43 -8.777 3.456 -8.967 323 1HG GLU 43 HG2 GLU 43 -7.571 4.529 -6.563 324 2HG GLU 43 HG1 GLU 43 -7.455 5.710 -7.863 325 H TRP 44 HN TRP 44 -5.240 0.892 -7.890 326 HA TRP 44 HA TRP 44 -3.615 2.203 -5.937 327 1HB TRP 44 HB2 TRP 44 -3.183 0.025 -7.973 328 2HB TRP 44 HB1 TRP 44 -1.917 0.526 -6.847 329 HD1 TRP 44 HD1 TRP 44 -5.574 -0.716 -6.781 330 HE1 TRP 44 HE1 TRP 44 -5.937 -2.010 -4.578 331 HE3 TRP 44 HE3 TRP 44 -1.027 0.010 -4.566 332 HZ2 TRP 44 HZ2 TRP 44 -4.491 -2.639 -2.198 333 HZ3 TRP 44 HZ3 TRP 44 -0.553 -0.945 -2.328 334 HH2 TRP 44 HH2 TRP 44 -2.278 -2.274 -1.146 335 H THR 45 HN THR 45 -1.864 3.491 -6.156 336 HA THR 45 HA THR 45 -0.776 4.187 -8.811 337 HB THR 45 HB THR 45 -1.068 6.679 -7.946 338 HG1 THR 45 HG1 THR 45 -3.351 5.412 -6.846 339 1HG2 THR 45 HG21 THR 45 -3.077 6.868 -9.295 340 2HG2 THR 45 HG22 THR 45 -3.413 5.148 -9.098 341 3HG2 THR 45 HG23 THR 45 -2.011 5.671 -10.031 342 H TYR 46 HN TYR 46 1.400 4.442 -8.565 343 HA TYR 46 HA TYR 46 2.469 4.545 -5.781 344 1HB TYR 46 HB2 TYR 46 3.115 2.606 -7.026 345 2HB TYR 46 HB1 TYR 46 3.449 3.548 -8.472 346 HD1 TYR 46 HD1 TYR 46 5.536 4.734 -8.750 347 HD2 TYR 46 HD2 TYR 46 4.699 2.613 -5.110 348 HE1 TYR 46 HE1 TYR 46 7.919 4.912 -8.096 349 HE2 TYR 46 HE2 TYR 46 7.077 2.789 -4.457 350 HH TYR 46 HH TYR 46 9.500 3.475 -6.522 351 H ASP 47 HN ASP 47 3.603 6.334 -5.127 352 HA ASP 47 HA ASP 47 4.208 8.458 -7.147 353 1HB ASP 47 HB2 ASP 47 3.557 8.367 -4.206 354 2HB ASP 47 HB1 ASP 47 4.365 9.779 -4.887 355 H ASP 48 HN ASP 48 6.337 8.549 -7.721 356 HA ASP 48 HA ASP 48 8.433 7.170 -6.260 357 1HB ASP 48 HB2 ASP 48 8.072 7.887 -8.803 358 2HB ASP 48 HB1 ASP 48 8.977 9.309 -8.281 359 H ALA 49 HN ALA 49 7.109 10.402 -6.126 360 HA ALA 49 HA ALA 49 9.247 11.960 -5.215 361 1HB ALA 49 HB1 ALA 49 6.297 11.886 -4.903 362 2HB ALA 49 HB2 ALA 49 7.331 13.191 -5.483 363 3HB ALA 49 HB3 ALA 49 7.166 12.900 -3.751 364 H THR 50 HN THR 50 7.230 9.683 -3.370 365 HA THR 50 HA THR 50 9.299 9.650 -1.229 366 HB THR 50 HB THR 50 7.502 9.988 0.463 367 HG1 THR 50 HG1 THR 50 5.477 10.205 -0.143 368 1HG2 THR 50 HG21 THR 50 8.842 11.896 -0.538 369 2HG2 THR 50 HG22 THR 50 7.285 12.356 0.150 370 3HG2 THR 50 HG23 THR 50 7.466 12.202 -1.598 371 H LYS 51 HN LYS 51 7.864 7.796 -3.375 372 HA LYS 51 HA LYS 51 7.180 5.538 -3.497 373 1HB LYS 51 HB2 LYS 51 9.359 5.905 -1.640 374 2HB LYS 51 HB1 LYS 51 8.343 4.581 -1.073 375 1HG LYS 51 HG2 LYS 51 9.601 3.354 -2.534 376 2HG LYS 51 HG1 LYS 51 8.453 3.986 -3.715 377 1HD LYS 51 HD2 LYS 51 10.728 4.350 -4.531 378 2HD LYS 51 HD1 LYS 51 9.997 5.905 -4.132 379 1HE LYS 51 HE2 LYS 51 11.369 6.230 -2.290 380 2HE LYS 51 HE1 LYS 51 11.544 4.490 -1.986 381 1HZ LYS 51 HZ1 LYS 51 13.566 5.383 -2.960 382 2HZ LYS 51 HZ2 LYS 51 12.692 5.981 -4.288 383 3HZ LYS 51 HZ3 LYS 51 12.823 4.305 -4.038 384 H THR 52 HN THR 52 4.899 5.785 -3.120 385 HA THR 52 HA THR 52 3.993 4.746 -0.502 386 HB THR 52 HB THR 52 3.191 7.454 -1.617 387 HG1 THR 52 HG1 THR 52 4.271 8.212 0.213 388 1HG2 THR 52 HG21 THR 52 1.867 7.690 0.424 389 2HG2 THR 52 HG22 THR 52 2.371 6.089 0.964 390 3HG2 THR 52 HG23 THR 52 1.343 6.256 -0.459 391 H PHE 53 HN PHE 53 2.823 3.026 -1.354 392 HA PHE 53 HA PHE 53 1.382 3.016 -3.837 393 1HB PHE 53 HB2 PHE 53 1.181 1.437 -1.255 394 2HB PHE 53 HB1 PHE 53 0.228 1.038 -2.682 395 HD1 PHE 53 HD1 PHE 53 1.263 0.120 -4.674 396 HD2 PHE 53 HD2 PHE 53 3.618 1.191 -1.251 397 HE1 PHE 53 HE1 PHE 53 3.193 -1.128 -5.615 398 HE2 PHE 53 HE2 PHE 53 5.550 -0.056 -2.184 399 HZ PHE 53 HZ PHE 53 5.336 -1.217 -4.369 400 H THR 54 HN THR 54 -0.605 3.951 -4.315 401 HA THR 54 HA THR 54 -2.257 4.879 -1.977 402 HB THR 54 HB THR 54 -1.825 6.148 -4.694 403 HG1 THR 54 HG1 THR 54 -0.715 7.701 -3.355 404 1HG2 THR 54 HG21 THR 54 -2.913 7.734 -2.460 405 2HG2 THR 54 HG22 THR 54 -3.997 6.476 -3.054 406 3HG2 THR 54 HG23 THR 54 -3.388 7.708 -4.158 407 H VAL 55 HN VAL 55 -3.995 3.456 -1.907 408 HA VAL 55 HA VAL 55 -5.444 2.912 -4.432 409 HB VAL 55 HB VAL 55 -4.533 0.926 -3.186 410 1HG1 VAL 55 HG11 VAL 55 -5.399 0.307 -1.045 411 2HG1 VAL 55 HG12 VAL 55 -6.586 1.622 -1.098 412 3HG1 VAL 55 HG13 VAL 55 -4.870 1.990 -0.906 413 1HG2 VAL 55 HG21 VAL 55 -6.534 -0.388 -3.348 414 2HG2 VAL 55 HG22 VAL 55 -6.627 0.854 -4.597 415 3HG2 VAL 55 HG23 VAL 55 -7.549 1.034 -3.104 416 H THR 56 HN THR 56 -7.878 2.751 -4.072 417 HA THR 56 HA THR 56 -9.028 4.191 -1.793 418 HB THR 56 HB THR 56 -8.924 5.335 -4.598 419 HG1 THR 56 HG1 THR 56 -7.481 6.678 -3.815 420 1HG2 THR 56 HG21 THR 56 -9.955 7.056 -2.461 421 2HG2 THR 56 HG22 THR 56 -10.976 5.649 -2.752 422 3HG2 THR 56 HG23 THR 56 -10.607 6.758 -4.072 423 H GLU 57 HN GLU 57 -10.742 2.788 -1.473 424 HA GLU 57 HA GLU 57 -11.991 1.177 -3.484 425 1HB GLU 57 HB2 GLU 57 -12.888 2.184 -0.766 426 2HB GLU 57 HB1 GLU 57 -13.747 0.940 -1.676 427 1HG GLU 57 HG2 GLU 57 -11.557 -0.347 -1.764 428 2HG GLU 57 HG1 GLU 57 -10.922 0.815 -0.599 Start of MODEL 37 1 1H MET 1 HT1 MET 1 17.257 -1.290 1.333 2 2H MET 1 HT2 MET 1 17.556 -2.669 2.278 3 3H MET 1 HT3 MET 1 17.199 -1.186 3.025 4 HA MET 1 HA MET 1 15.361 -2.934 1.480 5 1HB MET 1 HB2 MET 1 15.625 -1.875 4.305 6 2HB MET 1 HB1 MET 1 14.139 -2.623 3.718 7 1HG MET 1 HG2 MET 1 15.326 -4.686 3.202 8 2HG MET 1 HG1 MET 1 16.865 -3.947 3.644 9 1HE MET 1 HE1 MET 1 16.977 -6.255 6.162 10 2HE MET 1 HE2 MET 1 17.669 -4.704 6.628 11 3HE MET 1 HE3 MET 1 17.710 -5.208 4.940 12 H THR 2 HN THR 2 13.012 -1.846 2.120 13 HA THR 2 HA THR 2 13.065 1.091 1.699 14 HB THR 2 HB THR 2 11.636 -0.787 -0.201 15 HG1 THR 2 HG1 THR 2 13.391 -0.196 -1.619 16 1HG2 THR 2 HG21 THR 2 10.645 1.345 -0.316 17 2HG2 THR 2 HG22 THR 2 11.835 1.374 -1.619 18 3HG2 THR 2 HG23 THR 2 12.186 2.172 -0.085 19 H THR 3 HN THR 3 11.689 1.690 3.329 20 HA THR 3 HA THR 3 9.449 -0.005 4.126 21 HB THR 3 HB THR 3 10.882 1.073 5.792 22 HG1 THR 3 HG1 THR 3 8.624 0.817 6.211 23 1HG2 THR 3 HG21 THR 3 9.985 3.791 5.552 24 2HG2 THR 3 HG22 THR 3 10.704 3.291 4.021 25 3HG2 THR 3 HG23 THR 3 11.635 3.172 5.513 26 H PHE 4 HN PHE 4 8.159 0.216 2.138 27 HA PHE 4 HA PHE 4 7.237 2.770 1.146 28 1HB PHE 4 HB2 PHE 4 6.207 -0.075 0.949 29 2HB PHE 4 HB1 PHE 4 5.534 1.262 0.021 30 HD1 PHE 4 HD1 PHE 4 8.260 -1.109 0.341 31 HD2 PHE 4 HD2 PHE 4 7.011 2.516 -1.593 32 HE1 PHE 4 HE1 PHE 4 10.059 -1.388 -1.342 33 HE2 PHE 4 HE2 PHE 4 8.811 2.238 -3.277 34 HZ PHE 4 HZ PHE 4 10.334 0.284 -3.150 35 H LYS 5 HN LYS 5 4.847 3.383 1.230 36 HA LYS 5 HA LYS 5 3.612 2.702 3.880 37 1HB LYS 5 HB2 LYS 5 4.390 5.293 2.622 38 2HB LYS 5 HB1 LYS 5 2.885 5.270 3.541 39 1HG LYS 5 HG2 LYS 5 3.964 4.685 5.542 40 2HG LYS 5 HG1 LYS 5 5.392 4.078 4.704 41 1HD LYS 5 HD2 LYS 5 6.221 6.225 4.281 42 2HD LYS 5 HD1 LYS 5 4.634 6.976 4.456 43 1HE LYS 5 HE2 LYS 5 4.807 6.092 6.940 44 2HE LYS 5 HE1 LYS 5 6.549 6.091 6.596 45 1HZ LYS 5 HZ1 LYS 5 6.241 8.375 5.685 46 2HZ LYS 5 HZ2 LYS 5 5.982 8.259 7.360 47 3HZ LYS 5 HZ3 LYS 5 4.660 8.363 6.298 48 H LEU 6 HN LEU 6 1.704 1.678 3.389 49 HA LEU 6 HA LEU 6 0.249 2.348 0.889 50 1HB LEU 6 HB2 LEU 6 0.849 0.013 2.036 51 2HB LEU 6 HB1 LEU 6 -0.632 0.330 2.922 52 HG LEU 6 HG LEU 6 -0.248 -0.483 0.100 53 1HD1 LEU 6 HD11 LEU 6 -2.797 -1.069 0.711 54 2HD1 LEU 6 HD12 LEU 6 -2.169 -0.855 2.344 55 3HD1 LEU 6 HD13 LEU 6 -1.441 -2.049 1.269 56 1HD2 LEU 6 HD21 LEU 6 -2.468 0.624 -0.567 57 2HD2 LEU 6 HD22 LEU 6 -1.063 1.688 -0.513 58 3HD2 LEU 6 HD23 LEU 6 -2.231 1.704 0.809 59 H ILE 7 HN ILE 7 -1.108 4.140 1.157 60 HA ILE 7 HA ILE 7 -2.235 4.960 3.669 61 HB ILE 7 HB ILE 7 -1.875 6.123 1.288 62 1HG1 ILE 7 HG12 ILE 7 -3.621 7.828 1.995 63 2HG1 ILE 7 HG11 ILE 7 -4.059 6.713 3.290 64 1HG2 ILE 7 HG21 ILE 7 -3.844 4.526 0.444 65 2HG2 ILE 7 HG22 ILE 7 -3.651 6.164 -0.178 66 3HG2 ILE 7 HG23 ILE 7 -4.839 5.834 1.081 67 1HD1 ILE 7 HD11 ILE 7 -1.929 6.880 4.310 68 2HD1 ILE 7 HD12 ILE 7 -2.315 8.536 3.842 69 3HD1 ILE 7 HD13 ILE 7 -1.201 7.580 2.865 70 H ILE 8 HN ILE 8 -4.745 4.986 4.005 71 HA ILE 8 HA ILE 8 -5.914 2.403 3.031 72 HB ILE 8 HB ILE 8 -5.987 3.594 5.821 73 1HG1 ILE 8 HG12 ILE 8 -4.648 1.050 4.862 74 2HG1 ILE 8 HG11 ILE 8 -3.791 2.581 5.049 75 1HG2 ILE 8 HG21 ILE 8 -7.223 1.134 4.584 76 2HG2 ILE 8 HG22 ILE 8 -8.012 2.394 5.533 77 3HG2 ILE 8 HG23 ILE 8 -6.925 1.249 6.318 78 1HD1 ILE 8 HD11 ILE 8 -5.006 2.462 7.457 79 2HD1 ILE 8 HD12 ILE 8 -3.415 1.763 7.158 80 3HD1 ILE 8 HD13 ILE 8 -4.849 0.737 7.128 81 H ASN 9 HN ASN 9 -6.886 4.139 1.482 82 HA ASN 9 HA ASN 9 -9.089 5.703 2.728 83 1HB ASN 9 HB2 ASN 9 -7.381 5.845 0.377 84 2HB ASN 9 HB1 ASN 9 -9.076 5.967 -0.090 85 1HD2 ASN 9 HD21 ASN 9 -6.757 8.046 0.235 86 2HD2 ASN 9 HD22 ASN 9 -7.480 9.288 1.137 87 H GLY 10 HN GLY 10 -9.471 2.996 3.008 88 1HA GLY 10 HA2 GLY 10 -11.317 2.172 0.823 89 2HA GLY 10 HA1 GLY 10 -10.628 1.091 2.038 90 H LYS 11 HN LYS 11 -13.397 1.224 1.470 91 HA LYS 11 HA LYS 11 -14.741 2.837 3.504 92 1HB LYS 11 HB2 LYS 11 -16.721 1.603 2.669 93 2HB LYS 11 HB1 LYS 11 -15.754 2.230 1.337 94 1HG LYS 11 HG2 LYS 11 -15.736 0.126 0.512 95 2HG LYS 11 HG1 LYS 11 -14.639 -0.283 1.830 96 1HD LYS 11 HD2 LYS 11 -16.531 -0.897 3.256 97 2HD LYS 11 HD1 LYS 11 -17.665 -0.413 1.995 98 1HE LYS 11 HE2 LYS 11 -17.162 -2.253 0.647 99 2HE LYS 11 HE1 LYS 11 -15.547 -2.455 1.355 100 1HZ LYS 11 HZ1 LYS 11 -16.513 -3.154 3.411 101 2HZ LYS 11 HZ2 LYS 11 -17.195 -4.100 2.176 102 3HZ LYS 11 HZ3 LYS 11 -18.082 -2.822 2.860 103 H THR 12 HN THR 12 -12.852 0.055 3.752 104 HA THR 12 HA THR 12 -14.515 -1.146 5.917 105 HB THR 12 HB THR 12 -11.959 -2.165 4.652 106 HG1 THR 12 HG1 THR 12 -13.151 -2.233 2.921 107 1HG2 THR 12 HG21 THR 12 -14.283 -3.659 5.886 108 2HG2 THR 12 HG22 THR 12 -12.843 -3.191 6.790 109 3HG2 THR 12 HG23 THR 12 -12.708 -4.312 5.435 110 H LEU 13 HN LEU 13 -11.299 0.259 5.265 111 HA LEU 13 HA LEU 13 -10.940 0.563 8.230 112 1HB LEU 13 HB2 LEU 13 -9.428 -0.997 6.301 113 2HB LEU 13 HB1 LEU 13 -8.401 0.188 7.103 114 HG LEU 13 HG LEU 13 -8.448 -1.910 8.369 115 1HD1 LEU 13 HD11 LEU 13 -8.452 0.436 9.479 116 2HD1 LEU 13 HD12 LEU 13 -8.750 -0.973 10.496 117 3HD1 LEU 13 HD13 LEU 13 -10.099 0.028 9.961 118 1HD2 LEU 13 HD21 LEU 13 -11.001 -2.197 7.553 119 2HD2 LEU 13 HD22 LEU 13 -11.282 -1.550 9.169 120 3HD2 LEU 13 HD23 LEU 13 -10.354 -3.034 8.964 121 H LYS 14 HN LYS 14 -8.961 2.140 8.580 122 HA LYS 14 HA LYS 14 -8.625 4.178 6.474 123 1HB LYS 14 HB2 LYS 14 -10.797 4.345 8.142 124 2HB LYS 14 HB1 LYS 14 -9.607 5.297 9.030 125 1HG LYS 14 HG2 LYS 14 -9.158 6.341 6.627 126 2HG LYS 14 HG1 LYS 14 -10.812 5.800 6.337 127 1HD LYS 14 HD2 LYS 14 -11.582 7.043 8.313 128 2HD LYS 14 HD1 LYS 14 -9.929 7.562 8.642 129 1HE LYS 14 HE2 LYS 14 -10.963 9.386 7.466 130 2HE LYS 14 HE1 LYS 14 -9.947 8.565 6.264 131 1HZ LYS 14 HZ1 LYS 14 -12.285 8.955 5.526 132 2HZ LYS 14 HZ2 LYS 14 -12.798 7.889 6.745 133 3HZ LYS 14 HZ3 LYS 14 -11.805 7.329 5.485 134 H GLY 15 HN GLY 15 -6.651 5.225 6.748 135 1HA GLY 15 HA2 GLY 15 -5.177 6.244 8.623 136 2HA GLY 15 HA1 GLY 15 -5.140 4.593 9.241 137 H GLU 16 HN GLU 16 -2.828 4.519 8.934 138 HA GLU 16 HA GLU 16 -2.056 3.933 6.110 139 1HB GLU 16 HB2 GLU 16 -1.526 6.301 6.671 140 2HB GLU 16 HB1 GLU 16 -0.556 5.741 8.034 141 1HG GLU 16 HG2 GLU 16 0.874 4.455 6.457 142 2HG GLU 16 HG1 GLU 16 -0.064 5.102 5.110 143 H THR 17 HN THR 17 -0.114 2.583 5.989 144 HA THR 17 HA THR 17 0.829 1.388 8.553 145 HB THR 17 HB THR 17 -1.083 0.050 7.786 146 HG1 THR 17 HG1 THR 17 0.571 -1.139 8.659 147 1HG2 THR 17 HG21 THR 17 -0.768 -1.180 5.547 148 2HG2 THR 17 HG22 THR 17 0.447 0.046 5.182 149 3HG2 THR 17 HG23 THR 17 -1.228 0.520 5.465 150 H THR 18 HN THR 18 2.795 0.011 8.174 151 HA THR 18 HA THR 18 4.257 0.692 5.650 152 HB THR 18 HB THR 18 6.257 1.010 7.252 153 HG1 THR 18 HG1 THR 18 5.243 0.107 9.071 154 1HG2 THR 18 HG21 THR 18 4.217 3.099 7.842 155 2HG2 THR 18 HG22 THR 18 4.576 2.779 6.145 156 3HG2 THR 18 HG23 THR 18 5.866 3.274 7.241 157 H THR 19 HN THR 19 6.372 -0.695 5.600 158 HA THR 19 HA THR 19 6.294 -3.244 7.055 159 HB THR 19 HB THR 19 4.534 -3.538 5.361 160 HG1 THR 19 HG1 THR 19 5.281 -5.438 4.677 161 1HG2 THR 19 HG21 THR 19 6.665 -3.094 3.262 162 2HG2 THR 19 HG22 THR 19 5.565 -1.818 3.782 163 3HG2 THR 19 HG23 THR 19 4.928 -3.274 3.019 164 H GLU 20 HN GLU 20 7.891 -4.781 5.475 165 HA GLU 20 HA GLU 20 10.306 -3.074 4.959 166 1HB GLU 20 HB2 GLU 20 11.600 -5.006 5.865 167 2HB GLU 20 HB1 GLU 20 10.480 -4.337 7.049 168 1HG GLU 20 HG2 GLU 20 9.068 -6.339 5.571 169 2HG GLU 20 HG1 GLU 20 10.620 -7.024 6.043 170 H ALA 21 HN ALA 21 10.317 -3.030 2.718 171 HA ALA 21 HA ALA 21 10.446 -5.677 1.314 172 1HB ALA 21 HB1 ALA 21 8.307 -4.019 1.225 173 2HB ALA 21 HB2 ALA 21 8.790 -5.022 -0.143 174 3HB ALA 21 HB3 ALA 21 9.269 -3.326 -0.080 175 H VAL 22 HN VAL 22 12.014 -5.773 -0.317 176 HA VAL 22 HA VAL 22 14.229 -3.973 -0.260 177 HB VAL 22 HB VAL 22 14.303 -6.325 -1.009 178 1HG1 VAL 22 HG11 VAL 22 13.108 -5.606 -3.650 179 2HG1 VAL 22 HG12 VAL 22 12.005 -5.890 -2.305 180 3HG1 VAL 22 HG13 VAL 22 13.123 -7.156 -2.810 181 1HG2 VAL 22 HG21 VAL 22 15.804 -4.347 -1.976 182 2HG2 VAL 22 HG22 VAL 22 15.010 -4.802 -3.484 183 3HG2 VAL 22 HG23 VAL 22 15.957 -5.992 -2.592 184 H ASP 23 HN ASP 23 11.298 -4.029 -2.225 185 HA ASP 23 HA ASP 23 11.614 -1.249 -3.003 186 1HB ASP 23 HB2 ASP 23 11.931 -1.717 -5.427 187 2HB ASP 23 HB1 ASP 23 13.284 -2.304 -4.466 188 H ALA 24 HN ALA 24 9.889 -0.819 -4.878 189 HA ALA 24 HA ALA 24 7.317 -1.437 -3.922 190 1HB ALA 24 HB1 ALA 24 8.506 -0.444 -6.484 191 2HB ALA 24 HB2 ALA 24 7.446 0.393 -5.350 192 3HB ALA 24 HB3 ALA 24 6.783 -0.817 -6.448 193 H ALA 25 HN ALA 25 9.404 -3.283 -6.045 194 HA ALA 25 HA ALA 25 7.511 -4.957 -7.354 195 1HB ALA 25 HB1 ALA 25 10.083 -4.661 -7.603 196 2HB ALA 25 HB2 ALA 25 9.412 -6.271 -7.865 197 3HB ALA 25 HB3 ALA 25 10.198 -5.882 -6.334 198 H THR 26 HN THR 26 8.701 -4.990 -4.048 199 HA THR 26 HA THR 26 7.247 -7.562 -3.539 200 HB THR 26 HB THR 26 9.347 -6.148 -1.869 201 HG1 THR 26 HG1 THR 26 10.498 -6.710 -3.567 202 1HG2 THR 26 HG21 THR 26 9.562 -8.764 -1.280 203 2HG2 THR 26 HG22 THR 26 7.853 -8.715 -1.711 204 3HG2 THR 26 HG23 THR 26 8.464 -7.687 -0.415 205 H ALA 27 HN ALA 27 7.481 -4.166 -2.660 206 HA ALA 27 HA ALA 27 6.017 -4.161 -0.215 207 1HB ALA 27 HB1 ALA 27 6.068 -1.862 -0.517 208 2HB ALA 27 HB2 ALA 27 5.670 -1.978 -2.232 209 3HB ALA 27 HB3 ALA 27 7.307 -2.335 -1.680 210 H GLU 28 HN GLU 28 4.805 -3.576 -3.542 211 HA GLU 28 HA GLU 28 2.029 -3.421 -2.892 212 1HB GLU 28 HB2 GLU 28 3.601 -3.131 -5.106 213 2HB GLU 28 HB1 GLU 28 2.815 -4.668 -5.467 214 1HG GLU 28 HG2 GLU 28 0.645 -3.713 -5.347 215 2HG GLU 28 HG1 GLU 28 1.242 -2.261 -4.544 216 H LYS 29 HN LYS 29 4.088 -6.230 -3.656 217 HA LYS 29 HA LYS 29 2.092 -8.227 -3.918 218 1HB LYS 29 HB2 LYS 29 4.910 -8.228 -2.811 219 2HB LYS 29 HB1 LYS 29 3.990 -9.712 -3.064 220 1HG LYS 29 HG2 LYS 29 3.599 -8.696 -5.470 221 2HG LYS 29 HG1 LYS 29 5.057 -7.778 -5.092 222 1HD LYS 29 HD2 LYS 29 6.403 -9.620 -5.184 223 2HD LYS 29 HD1 LYS 29 5.184 -10.671 -4.461 224 1HE LYS 29 HE2 LYS 29 3.973 -10.170 -6.830 225 2HE LYS 29 HE1 LYS 29 5.672 -10.048 -7.329 226 1HZ LYS 29 HZ1 LYS 29 4.803 -12.358 -7.353 227 2HZ LYS 29 HZ2 LYS 29 4.576 -12.257 -5.672 228 3HZ LYS 29 HZ3 LYS 29 6.139 -12.152 -6.329 229 H VAL 30 HN VAL 30 3.692 -7.005 -0.970 230 HA VAL 30 HA VAL 30 2.144 -8.751 0.806 231 HB VAL 30 HB VAL 30 3.956 -6.351 1.254 232 1HG1 VAL 30 HG11 VAL 30 4.144 -7.360 3.584 233 2HG1 VAL 30 HG12 VAL 30 2.746 -8.356 3.176 234 3HG1 VAL 30 HG13 VAL 30 2.595 -6.599 3.217 235 1HG2 VAL 30 HG21 VAL 30 5.551 -8.201 1.968 236 2HG2 VAL 30 HG22 VAL 30 5.188 -8.148 0.243 237 3HG2 VAL 30 HG23 VAL 30 4.405 -9.347 1.273 238 H PHE 31 HN PHE 31 2.195 -5.255 0.037 239 HA PHE 31 HA PHE 31 0.053 -4.494 1.774 240 1HB PHE 31 HB2 PHE 31 1.386 -3.393 -0.684 241 2HB PHE 31 HB1 PHE 31 -0.053 -2.592 -0.056 242 HD1 PHE 31 HD1 PHE 31 0.161 -2.796 2.823 243 HD2 PHE 31 HD2 PHE 31 3.268 -2.155 -0.074 244 HE1 PHE 31 HE1 PHE 31 1.540 -1.675 4.551 245 HE2 PHE 31 HE2 PHE 31 4.645 -1.038 1.656 246 HZ PHE 31 HZ PHE 31 3.784 -0.797 3.968 247 H LYS 32 HN LYS 32 0.070 -5.710 -1.571 248 HA LYS 32 HA LYS 32 -2.687 -5.187 -2.171 249 1HB LYS 32 HB2 LYS 32 -0.587 -7.139 -3.124 250 2HB LYS 32 HB1 LYS 32 -2.231 -7.223 -3.752 251 1HG LYS 32 HG2 LYS 32 -2.118 -4.939 -4.547 252 2HG LYS 32 HG1 LYS 32 -0.551 -4.701 -3.774 253 1HD LYS 32 HD2 LYS 32 0.579 -5.902 -5.378 254 2HD LYS 32 HD1 LYS 32 -0.783 -6.982 -5.677 255 1HE LYS 32 HE2 LYS 32 -1.039 -4.082 -6.435 256 2HE LYS 32 HE1 LYS 32 -0.152 -5.189 -7.503 257 1HZ LYS 32 HZ1 LYS 32 -2.567 -5.133 -7.968 258 2HZ LYS 32 HZ2 LYS 32 -2.860 -5.728 -6.404 259 3HZ LYS 32 HZ3 LYS 32 -2.013 -6.675 -7.532 260 H GLN 33 HN GLN 33 -1.029 -7.996 -0.723 261 HA GLN 33 HA GLN 33 -3.328 -9.680 -0.425 262 1HB GLN 33 HB2 GLN 33 -0.876 -10.287 -0.234 263 2HB GLN 33 HB1 GLN 33 -0.874 -9.500 1.344 264 1HG GLN 33 HG2 GLN 33 -1.291 -11.738 1.903 265 2HG GLN 33 HG1 GLN 33 -2.916 -11.055 1.842 266 1HE2 GLN 33 HE21 GLN 33 -4.066 -12.905 1.093 267 2HE2 GLN 33 HE22 GLN 33 -3.758 -13.651 -0.400 268 H TYR 34 HN TYR 34 -1.961 -7.117 1.501 269 HA TYR 34 HA TYR 34 -3.570 -7.449 3.875 270 1HB TYR 34 HB2 TYR 34 -1.659 -6.137 4.165 271 2HB TYR 34 HB1 TYR 34 -1.818 -5.372 2.590 272 HD1 TYR 34 HD1 TYR 34 -3.112 -5.421 6.061 273 HD2 TYR 34 HD2 TYR 34 -3.015 -3.313 2.326 274 HE1 TYR 34 HE1 TYR 34 -4.171 -3.451 7.146 275 HE2 TYR 34 HE2 TYR 34 -4.073 -1.344 3.398 276 HH TYR 34 HH TYR 34 -5.678 -1.105 5.617 277 H ALA 35 HN ALA 35 -3.814 -5.060 1.216 278 HA ALA 35 HA ALA 35 -6.391 -4.041 1.894 279 1HB ALA 35 HB1 ALA 35 -4.542 -4.094 -0.435 280 2HB ALA 35 HB2 ALA 35 -5.309 -2.713 0.356 281 3HB ALA 35 HB3 ALA 35 -6.222 -3.693 -0.792 282 H ASN 36 HN ASN 36 -5.401 -6.820 -0.059 283 HA ASN 36 HA ASN 36 -7.801 -7.462 -1.372 284 1HB ASN 36 HB2 ASN 36 -5.360 -8.850 -0.422 285 2HB ASN 36 HB1 ASN 36 -6.733 -9.897 -0.783 286 1HD2 ASN 36 HD21 ASN 36 -5.569 -10.716 -2.713 287 2HD2 ASN 36 HD22 ASN 36 -5.468 -9.767 -4.117 288 H ASP 37 HN ASP 37 -6.688 -8.725 1.795 289 HA ASP 37 HA ASP 37 -9.083 -10.148 2.443 290 1HB ASP 37 HB2 ASP 37 -6.747 -10.267 3.475 291 2HB ASP 37 HB1 ASP 37 -7.169 -8.809 4.373 292 H ASN 38 HN ASN 38 -8.026 -6.837 3.276 293 HA ASN 38 HA ASN 38 -10.352 -6.152 4.838 294 1HB ASN 38 HB2 ASN 38 -8.152 -4.671 3.403 295 2HB ASN 38 HB1 ASN 38 -9.460 -3.782 4.183 296 1HD2 ASN 38 HD21 ASN 38 -6.739 -5.991 4.806 297 2HD2 ASN 38 HD22 ASN 38 -6.676 -5.711 6.479 298 H GLY 39 HN GLY 39 -9.631 -6.071 1.393 299 1HA GLY 39 HA2 GLY 39 -11.304 -6.068 -0.331 300 2HA GLY 39 HA1 GLY 39 -12.474 -5.457 0.839 301 H ILE 40 HN ILE 40 -9.251 -4.283 -0.196 302 HA ILE 40 HA ILE 40 -10.483 -1.584 -0.581 303 HB ILE 40 HB ILE 40 -7.641 -2.510 -0.043 304 1HG1 ILE 40 HG12 ILE 40 -9.618 -0.956 1.656 305 2HG1 ILE 40 HG11 ILE 40 -9.262 -2.671 1.848 306 1HG2 ILE 40 HG21 ILE 40 -8.787 0.142 -0.812 307 2HG2 ILE 40 HG22 ILE 40 -7.190 -0.527 -1.161 308 3HG2 ILE 40 HG23 ILE 40 -7.544 0.133 0.438 309 1HD1 ILE 40 HD11 ILE 40 -7.175 -2.280 2.749 310 2HD1 ILE 40 HD12 ILE 40 -7.990 -0.808 3.279 311 3HD1 ILE 40 HD13 ILE 40 -6.952 -0.777 1.853 312 H ASP 41 HN ASP 41 -11.126 -2.953 -2.726 313 HA ASP 41 HA ASP 41 -9.016 -3.037 -4.773 314 1HB ASP 41 HB2 ASP 41 -11.851 -3.794 -4.405 315 2HB ASP 41 HB1 ASP 41 -11.458 -3.258 -6.039 316 H GLY 42 HN GLY 42 -8.756 -0.567 -3.978 317 1HA GLY 42 HA2 GLY 42 -10.620 1.247 -5.377 318 2HA GLY 42 HA1 GLY 42 -9.329 1.723 -4.273 319 H GLU 43 HN GLU 43 -8.249 3.147 -5.564 320 HA GLU 43 HA GLU 43 -7.166 2.129 -8.130 321 1HB GLU 43 HB2 GLU 43 -7.828 4.920 -7.152 322 2HB GLU 43 HB1 GLU 43 -7.035 4.587 -8.692 323 1HG GLU 43 HG2 GLU 43 -8.976 3.195 -9.369 324 2HG GLU 43 HG1 GLU 43 -9.775 3.598 -7.849 325 H TRP 44 HN TRP 44 -5.171 1.343 -7.516 326 HA TRP 44 HA TRP 44 -3.592 2.505 -5.425 327 1HB TRP 44 HB2 TRP 44 -3.129 0.449 -7.575 328 2HB TRP 44 HB1 TRP 44 -1.886 0.872 -6.390 329 HD1 TRP 44 HD1 TRP 44 -5.556 -0.321 -6.484 330 HE1 TRP 44 HE1 TRP 44 -5.997 -1.718 -4.359 331 HE3 TRP 44 HE3 TRP 44 -1.056 0.208 -4.129 332 HZ2 TRP 44 HZ2 TRP 44 -4.623 -2.488 -1.977 333 HZ3 TRP 44 HZ3 TRP 44 -0.650 -0.867 -1.933 334 HH2 TRP 44 HH2 TRP 44 -2.427 -2.220 -0.857 335 H THR 45 HN THR 45 -1.848 3.809 -5.518 336 HA THR 45 HA THR 45 -0.701 4.667 -8.104 337 HB THR 45 HB THR 45 -1.013 7.093 -7.142 338 HG1 THR 45 HG1 THR 45 -2.955 7.234 -5.940 339 1HG2 THR 45 HG21 THR 45 -2.080 6.022 -9.201 340 2HG2 THR 45 HG22 THR 45 -2.973 7.357 -8.472 341 3HG2 THR 45 HG23 THR 45 -3.481 5.693 -8.181 342 H TYR 46 HN TYR 46 1.468 4.902 -7.811 343 HA TYR 46 HA TYR 46 2.509 4.797 -5.019 344 1HB TYR 46 HB2 TYR 46 3.193 2.980 -6.410 345 2HB TYR 46 HB1 TYR 46 3.499 4.038 -7.780 346 HD1 TYR 46 HD1 TYR 46 5.617 5.040 -8.114 347 HD2 TYR 46 HD2 TYR 46 4.740 3.091 -4.388 348 HE1 TYR 46 HE1 TYR 46 8.006 5.191 -7.475 349 HE2 TYR 46 HE2 TYR 46 7.129 3.242 -3.747 350 HH TYR 46 HH TYR 46 9.343 3.432 -4.952 351 H ASP 47 HN ASP 47 3.484 6.602 -4.196 352 HA ASP 47 HA ASP 47 4.031 8.911 -5.994 353 1HB ASP 47 HB2 ASP 47 3.336 8.413 -3.154 354 2HB ASP 47 HB1 ASP 47 4.432 9.766 -3.435 355 H ASP 48 HN ASP 48 6.107 9.174 -6.677 356 HA ASP 48 HA ASP 48 8.336 7.696 -5.514 357 1HB ASP 48 HB2 ASP 48 8.000 8.297 -7.936 358 2HB ASP 48 HB1 ASP 48 8.307 9.981 -7.510 359 H ALA 49 HN ALA 49 6.957 10.883 -5.059 360 HA ALA 49 HA ALA 49 9.134 12.386 -4.129 361 1HB ALA 49 HB1 ALA 49 7.138 13.283 -2.570 362 2HB ALA 49 HB2 ALA 49 6.191 12.282 -3.671 363 3HB ALA 49 HB3 ALA 49 7.179 13.598 -4.305 364 H THR 50 HN THR 50 7.116 10.054 -2.334 365 HA THR 50 HA THR 50 9.266 9.856 -0.280 366 HB THR 50 HB THR 50 7.539 10.139 1.491 367 HG1 THR 50 HG1 THR 50 5.645 9.668 0.618 368 1HG2 THR 50 HG21 THR 50 7.332 12.531 1.291 369 2HG2 THR 50 HG22 THR 50 7.498 12.450 -0.464 370 3HG2 THR 50 HG23 THR 50 8.876 12.075 0.571 371 H LYS 51 HN LYS 51 7.748 8.135 -2.463 372 HA LYS 51 HA LYS 51 7.048 5.889 -2.680 373 1HB LYS 51 HB2 LYS 51 9.165 6.136 -0.676 374 2HB LYS 51 HB1 LYS 51 8.174 4.702 -0.409 375 1HG LYS 51 HG2 LYS 51 9.599 3.789 -1.948 376 2HG LYS 51 HG1 LYS 51 8.482 4.539 -3.086 377 1HD LYS 51 HD2 LYS 51 10.286 5.634 -3.912 378 2HD LYS 51 HD1 LYS 51 10.211 6.620 -2.454 379 1HE LYS 51 HE2 LYS 51 12.447 5.812 -2.483 380 2HE LYS 51 HE1 LYS 51 11.623 4.707 -1.365 381 1HZ LYS 51 HZ1 LYS 51 12.840 3.457 -3.035 382 2HZ LYS 51 HZ2 LYS 51 12.014 4.266 -4.280 383 3HZ LYS 51 HZ3 LYS 51 11.172 3.225 -3.233 384 H THR 52 HN THR 52 4.779 6.049 -2.311 385 HA THR 52 HA THR 52 3.864 4.953 0.279 386 HB THR 52 HB THR 52 2.931 7.646 -0.759 387 HG1 THR 52 HG1 THR 52 4.119 8.440 1.018 388 1HG2 THR 52 HG21 THR 52 2.394 6.122 1.804 389 2HG2 THR 52 HG22 THR 52 1.228 6.473 0.528 390 3HG2 THR 52 HG23 THR 52 1.889 7.785 1.504 391 H PHE 53 HN PHE 53 2.765 3.236 -0.684 392 HA PHE 53 HA PHE 53 1.305 3.315 -3.152 393 1HB PHE 53 HB2 PHE 53 1.227 1.603 -0.656 394 2HB PHE 53 HB1 PHE 53 0.186 1.263 -2.038 395 HD1 PHE 53 HD1 PHE 53 1.116 0.521 -4.164 396 HD2 PHE 53 HD2 PHE 53 3.646 1.344 -0.798 397 HE1 PHE 53 HE1 PHE 53 2.996 -0.641 -5.295 398 HE2 PHE 53 HE2 PHE 53 5.528 0.183 -1.922 399 HZ PHE 53 HZ PHE 53 5.202 -0.810 -4.173 400 H THR 54 HN THR 54 -0.602 4.405 -3.557 401 HA THR 54 HA THR 54 -2.326 5.067 -1.181 402 HB THR 54 HB THR 54 -1.900 6.561 -3.783 403 HG1 THR 54 HG1 THR 54 -0.085 6.829 -2.653 404 1HG2 THR 54 HG21 THR 54 -3.303 8.229 -2.966 405 2HG2 THR 54 HG22 THR 54 -3.092 7.725 -1.289 406 3HG2 THR 54 HG23 THR 54 -4.115 6.781 -2.371 407 H VAL 55 HN VAL 55 -4.014 3.551 -1.274 408 HA VAL 55 HA VAL 55 -5.410 3.209 -3.862 409 HB VAL 55 HB VAL 55 -4.543 1.150 -2.703 410 1HG1 VAL 55 HG11 VAL 55 -4.966 2.056 -0.378 411 2HG1 VAL 55 HG12 VAL 55 -5.511 0.395 -0.648 412 3HG1 VAL 55 HG13 VAL 55 -6.678 1.728 -0.661 413 1HG2 VAL 55 HG21 VAL 55 -6.568 1.156 -4.203 414 2HG2 VAL 55 HG22 VAL 55 -7.559 1.260 -2.748 415 3HG2 VAL 55 HG23 VAL 55 -6.537 -0.150 -3.019 416 H THR 56 HN THR 56 -7.853 3.026 -3.602 417 HA THR 56 HA THR 56 -9.059 4.377 -1.287 418 HB THR 56 HB THR 56 -8.944 5.574 -4.070 419 HG1 THR 56 HG1 THR 56 -7.219 6.423 -3.260 420 1HG2 THR 56 HG21 THR 56 -10.182 6.805 -1.600 421 2HG2 THR 56 HG22 THR 56 -11.126 5.871 -2.760 422 3HG2 THR 56 HG23 THR 56 -10.320 7.354 -3.270 423 H GLU 57 HN GLU 57 -10.700 2.873 -1.018 424 HA GLU 57 HA GLU 57 -12.044 1.650 -3.342 425 1HB GLU 57 HB2 GLU 57 -11.380 0.850 -0.804 426 2HB GLU 57 HB1 GLU 57 -13.084 1.254 -0.599 427 1HG GLU 57 HG2 GLU 57 -12.033 -0.538 -2.806 428 2HG GLU 57 HG1 GLU 57 -12.678 -1.138 -1.278 Start of MODEL 38 1 1H MET 1 HT1 MET 1 -17.654 0.881 2.447 2 2H MET 1 HT2 MET 1 -17.910 2.222 3.459 3 3H MET 1 HT3 MET 1 -17.196 0.810 4.078 4 HA MET 1 HA MET 1 -15.991 2.627 2.050 5 1HB MET 1 HB2 MET 1 -15.928 2.293 5.009 6 2HB MET 1 HB1 MET 1 -14.384 2.627 4.225 7 1HG MET 1 HG2 MET 1 -15.399 4.597 3.106 8 2HG MET 1 HG1 MET 1 -16.913 4.279 3.953 9 1HE MET 1 HE1 MET 1 -17.544 5.057 6.041 10 2HE MET 1 HE2 MET 1 -16.520 5.335 7.446 11 3HE MET 1 HE3 MET 1 -16.658 3.713 6.773 12 H THR 2 HN THR 2 -14.158 1.788 1.058 13 HA THR 2 HA THR 2 -13.688 -1.091 1.212 14 HB THR 2 HB THR 2 -12.145 1.110 -0.198 15 HG1 THR 2 HG1 THR 2 -13.612 0.973 -1.764 16 1HG2 THR 2 HG21 THR 2 -11.826 -0.881 -1.834 17 2HG2 THR 2 HG22 THR 2 -12.282 -1.884 -0.456 18 3HG2 THR 2 HG23 THR 2 -10.858 -0.849 -0.359 19 H THR 3 HN THR 3 -11.434 -1.941 1.574 20 HA THR 3 HA THR 3 -9.766 -0.314 3.379 21 HB THR 3 HB THR 3 -10.838 -3.087 3.964 22 HG1 THR 3 HG1 THR 3 -12.431 -2.033 4.789 23 1HG2 THR 3 HG21 THR 3 -9.851 -2.479 6.274 24 2HG2 THR 3 HG22 THR 3 -8.936 -1.246 5.407 25 3HG2 THR 3 HG23 THR 3 -8.722 -2.950 5.005 26 H PHE 4 HN PHE 4 -8.177 -0.307 1.677 27 HA PHE 4 HA PHE 4 -7.241 -2.813 0.481 28 1HB PHE 4 HB2 PHE 4 -6.127 0.013 0.460 29 2HB PHE 4 HB1 PHE 4 -5.651 -1.282 -0.634 30 HD1 PHE 4 HD1 PHE 4 -8.279 1.128 0.251 31 HD2 PHE 4 HD2 PHE 4 -7.181 -2.080 -2.387 32 HE1 PHE 4 HE1 PHE 4 -10.151 1.730 -1.259 33 HE2 PHE 4 HE2 PHE 4 -9.055 -1.479 -3.897 34 HZ PHE 4 HZ PHE 4 -10.539 0.427 -3.332 35 H LYS 5 HN LYS 5 -4.717 -3.114 0.536 36 HA LYS 5 HA LYS 5 -3.631 -2.621 3.282 37 1HB LYS 5 HB2 LYS 5 -4.385 -5.139 1.943 38 2HB LYS 5 HB1 LYS 5 -2.761 -5.161 2.631 39 1HG LYS 5 HG2 LYS 5 -3.726 -4.318 4.787 40 2HG LYS 5 HG1 LYS 5 -5.335 -4.493 4.087 41 1HD LYS 5 HD2 LYS 5 -5.095 -6.862 3.887 42 2HD LYS 5 HD1 LYS 5 -3.363 -6.783 4.214 43 1HE LYS 5 HE2 LYS 5 -4.075 -5.729 6.498 44 2HE LYS 5 HE1 LYS 5 -5.658 -6.448 6.142 45 1HZ LYS 5 HZ1 LYS 5 -4.563 -8.568 5.738 46 2HZ LYS 5 HZ2 LYS 5 -4.241 -8.023 7.315 47 3HZ LYS 5 HZ3 LYS 5 -3.055 -7.885 6.107 48 H LEU 6 HN LEU 6 -1.399 -2.238 3.293 49 HA LEU 6 HA LEU 6 -0.039 -2.255 0.622 50 1HB LEU 6 HB2 LEU 6 -0.573 -0.059 1.774 51 2HB LEU 6 HB1 LEU 6 0.500 -0.545 3.073 52 HG LEU 6 HG LEU 6 1.485 1.012 1.297 53 1HD1 LEU 6 HD11 LEU 6 3.573 0.214 1.763 54 2HD1 LEU 6 HD12 LEU 6 3.151 -1.450 1.342 55 3HD1 LEU 6 HD13 LEU 6 2.659 -0.781 2.899 56 1HD2 LEU 6 HD21 LEU 6 0.567 -0.085 -0.708 57 2HD2 LEU 6 HD22 LEU 6 1.477 -1.552 -0.333 58 3HD2 LEU 6 HD23 LEU 6 2.332 -0.077 -0.763 59 H ILE 7 HN ILE 7 1.055 -4.268 0.729 60 HA ILE 7 HA ILE 7 2.292 -5.318 3.093 61 HB ILE 7 HB ILE 7 1.648 -6.293 0.669 62 1HG1 ILE 7 HG12 ILE 7 3.352 -8.177 1.230 63 2HG1 ILE 7 HG11 ILE 7 3.704 -7.202 2.657 64 1HG2 ILE 7 HG21 ILE 7 3.504 -5.015 -0.462 65 2HG2 ILE 7 HG22 ILE 7 3.563 -6.757 -0.717 66 3HG2 ILE 7 HG23 ILE 7 4.652 -5.999 0.442 67 1HD1 ILE 7 HD11 ILE 7 1.769 -9.047 2.668 68 2HD1 ILE 7 HD12 ILE 7 0.836 -7.707 2.002 69 3HD1 ILE 7 HD13 ILE 7 1.616 -7.542 3.574 70 H ILE 8 HN ILE 8 4.107 -4.601 4.111 71 HA ILE 8 HA ILE 8 5.772 -2.540 2.790 72 HB ILE 8 HB ILE 8 5.734 -3.682 5.606 73 1HG1 ILE 8 HG12 ILE 8 4.771 -0.933 5.003 74 2HG1 ILE 8 HG11 ILE 8 3.735 -2.250 4.459 75 1HG2 ILE 8 HG21 ILE 8 7.826 -2.663 5.435 76 2HG2 ILE 8 HG22 ILE 8 6.825 -1.318 5.979 77 3HG2 ILE 8 HG23 ILE 8 7.259 -1.462 4.276 78 1HD1 ILE 8 HD11 ILE 8 3.525 -3.130 6.667 79 2HD1 ILE 8 HD12 ILE 8 3.297 -1.389 6.825 80 3HD1 ILE 8 HD13 ILE 8 4.839 -2.120 7.269 81 H ASN 9 HN ASN 9 6.549 -4.493 1.299 82 HA ASN 9 HA ASN 9 8.590 -6.203 2.604 83 1HB ASN 9 HB2 ASN 9 7.173 -6.001 -0.007 84 2HB ASN 9 HB1 ASN 9 8.784 -6.715 -0.045 85 1HD2 ASN 9 HD21 ASN 9 6.039 -8.023 -0.341 86 2HD2 ASN 9 HD22 ASN 9 6.025 -9.252 0.831 87 H GLY 10 HN GLY 10 9.335 -3.630 2.996 88 1HA GLY 10 HA2 GLY 10 11.262 -2.925 0.839 89 2HA GLY 10 HA1 GLY 10 10.693 -1.825 2.099 90 H LYS 11 HN LYS 11 13.384 -2.016 1.701 91 HA LYS 11 HA LYS 11 14.572 -3.965 3.555 92 1HB LYS 11 HB2 LYS 11 15.624 -3.171 1.432 93 2HB LYS 11 HB1 LYS 11 15.727 -1.551 2.123 94 1HG LYS 11 HG2 LYS 11 17.383 -2.146 3.629 95 2HG LYS 11 HG1 LYS 11 16.868 -3.832 3.687 96 1HD LYS 11 HD2 LYS 11 18.020 -4.397 1.763 97 2HD LYS 11 HD1 LYS 11 17.903 -2.771 1.090 98 1HE LYS 11 HE2 LYS 11 19.784 -2.030 2.203 99 2HE LYS 11 HE1 LYS 11 19.494 -3.085 3.602 100 1HZ LYS 11 HZ1 LYS 11 21.327 -3.953 2.321 101 2HZ LYS 11 HZ2 LYS 11 20.395 -3.942 0.901 102 3HZ LYS 11 HZ3 LYS 11 20.002 -5.000 2.171 103 H THR 12 HN THR 12 12.773 -1.250 4.151 104 HA THR 12 HA THR 12 14.494 -0.366 6.435 105 HB THR 12 HB THR 12 12.237 1.052 4.982 106 HG1 THR 12 HG1 THR 12 13.773 1.191 3.541 107 1HG2 THR 12 HG21 THR 12 12.586 1.821 7.294 108 2HG2 THR 12 HG22 THR 12 13.114 3.048 6.142 109 3HG2 THR 12 HG23 THR 12 14.305 2.041 6.966 110 H LEU 13 HN LEU 13 11.275 -1.494 5.458 111 HA LEU 13 HA LEU 13 10.617 -1.838 8.367 112 1HB LEU 13 HB2 LEU 13 9.186 -0.353 6.202 113 2HB LEU 13 HB1 LEU 13 8.209 -1.200 7.402 114 HG LEU 13 HG LEU 13 10.446 0.705 8.131 115 1HD1 LEU 13 HD11 LEU 13 7.594 1.178 7.418 116 2HD1 LEU 13 HD12 LEU 13 8.984 2.252 7.265 117 3HD1 LEU 13 HD13 LEU 13 8.208 2.032 8.833 118 1HD2 LEU 13 HD21 LEU 13 8.799 0.671 10.243 119 2HD2 LEU 13 HD22 LEU 13 10.071 -0.534 10.043 120 3HD2 LEU 13 HD23 LEU 13 8.410 -0.921 9.592 121 H LYS 14 HN LYS 14 8.436 -3.216 8.436 122 HA LYS 14 HA LYS 14 8.081 -5.145 6.262 123 1HB LYS 14 HB2 LYS 14 10.149 -5.536 8.141 124 2HB LYS 14 HB1 LYS 14 8.861 -6.629 8.643 125 1HG LYS 14 HG2 LYS 14 9.950 -6.452 5.818 126 2HG LYS 14 HG1 LYS 14 10.434 -7.669 7.000 127 1HD LYS 14 HD2 LYS 14 7.543 -7.233 6.229 128 2HD LYS 14 HD1 LYS 14 8.589 -8.358 5.362 129 1HE LYS 14 HE2 LYS 14 9.093 -9.464 7.594 130 2HE LYS 14 HE1 LYS 14 7.799 -8.467 8.289 131 1HZ LYS 14 HZ1 LYS 14 7.041 -10.670 7.432 132 2HZ LYS 14 HZ2 LYS 14 7.456 -10.150 5.869 133 3HZ LYS 14 HZ3 LYS 14 6.243 -9.342 6.742 134 H GLY 15 HN GLY 15 6.008 -5.963 6.411 135 1HA GLY 15 HA2 GLY 15 4.468 -7.018 8.264 136 2HA GLY 15 HA1 GLY 15 4.478 -5.368 8.887 137 H GLU 16 HN GLU 16 2.223 -5.089 8.512 138 HA GLU 16 HA GLU 16 1.522 -4.636 5.639 139 1HB GLU 16 HB2 GLU 16 -0.082 -6.126 7.743 140 2HB GLU 16 HB1 GLU 16 -0.665 -5.737 6.125 141 1HG GLU 16 HG2 GLU 16 0.162 -7.831 5.671 142 2HG GLU 16 HG1 GLU 16 1.658 -6.920 5.461 143 H THR 17 HN THR 17 -0.179 -3.045 5.364 144 HA THR 17 HA THR 17 -0.737 -1.384 7.802 145 HB THR 17 HB THR 17 -0.189 -0.505 4.947 146 HG1 THR 17 HG1 THR 17 1.805 -0.570 5.536 147 1HG2 THR 17 HG21 THR 17 -1.469 1.226 5.795 148 2HG2 THR 17 HG22 THR 17 0.126 1.720 6.361 149 3HG2 THR 17 HG23 THR 17 -0.986 0.905 7.461 150 H THR 18 HN THR 18 -2.798 -0.244 7.733 151 HA THR 18 HA THR 18 -4.719 -1.068 5.606 152 HB THR 18 HB THR 18 -6.305 -1.736 7.455 153 HG1 THR 18 HG1 THR 18 -5.445 -1.995 9.491 154 1HG2 THR 18 HG21 THR 18 -4.774 -3.325 6.154 155 2HG2 THR 18 HG22 THR 18 -5.390 -3.916 7.697 156 3HG2 THR 18 HG23 THR 18 -3.735 -3.317 7.579 157 H THR 19 HN THR 19 -6.372 0.462 5.299 158 HA THR 19 HA THR 19 -6.775 2.644 7.246 159 HB THR 19 HB THR 19 -4.772 3.310 5.962 160 HG1 THR 19 HG1 THR 19 -5.962 5.041 6.459 161 1HG2 THR 19 HG21 THR 19 -6.445 3.417 3.466 162 2HG2 THR 19 HG22 THR 19 -5.617 1.924 3.907 163 3HG2 THR 19 HG23 THR 19 -4.689 3.396 3.625 164 H GLU 20 HN GLU 20 -8.803 3.635 6.947 165 HA GLU 20 HA GLU 20 -10.727 2.239 5.256 166 1HB GLU 20 HB2 GLU 20 -10.840 4.723 7.000 167 2HB GLU 20 HB1 GLU 20 -12.254 3.986 6.249 168 1HG GLU 20 HG2 GLU 20 -12.409 2.646 8.057 169 2HG GLU 20 HG1 GLU 20 -10.937 1.848 7.506 170 H ALA 21 HN ALA 21 -10.729 2.642 3.078 171 HA ALA 21 HA ALA 21 -10.556 5.496 2.170 172 1HB ALA 21 HB1 ALA 21 -8.573 3.676 1.880 173 2HB ALA 21 HB2 ALA 21 -8.883 4.939 0.687 174 3HB ALA 21 HB3 ALA 21 -9.515 3.311 0.434 175 H VAL 22 HN VAL 22 -11.998 6.015 0.481 176 HA VAL 22 HA VAL 22 -14.371 4.492 0.162 177 HB VAL 22 HB VAL 22 -14.793 6.133 -1.642 178 1HG1 VAL 22 HG11 VAL 22 -13.348 7.652 0.492 179 2HG1 VAL 22 HG12 VAL 22 -14.737 6.658 0.929 180 3HG1 VAL 22 HG13 VAL 22 -14.924 7.974 -0.230 181 1HG2 VAL 22 HG21 VAL 22 -12.492 6.105 -2.606 182 2HG2 VAL 22 HG22 VAL 22 -11.922 6.993 -1.196 183 3HG2 VAL 22 HG23 VAL 22 -13.076 7.737 -2.299 184 H ASP 23 HN ASP 23 -11.359 4.544 -1.700 185 HA ASP 23 HA ASP 23 -11.803 1.931 -2.829 186 1HB ASP 23 HB2 ASP 23 -12.125 2.704 -5.204 187 2HB ASP 23 HB1 ASP 23 -13.486 3.081 -4.152 188 H ALA 24 HN ALA 24 -10.206 1.810 -4.941 189 HA ALA 24 HA ALA 24 -7.568 2.116 -4.003 190 1HB ALA 24 HB1 ALA 24 -6.996 1.713 -6.411 191 2HB ALA 24 HB2 ALA 24 -8.694 1.968 -6.813 192 3HB ALA 24 HB3 ALA 24 -8.223 0.605 -5.797 193 H ALA 25 HN ALA 25 -9.649 4.430 -5.610 194 HA ALA 25 HA ALA 25 -7.749 6.251 -6.681 195 1HB ALA 25 HB1 ALA 25 -10.421 6.068 -6.613 196 2HB ALA 25 HB2 ALA 25 -9.613 7.601 -6.943 197 3HB ALA 25 HB3 ALA 25 -10.217 7.253 -5.323 198 H THR 26 HN THR 26 -8.725 5.671 -3.356 199 HA THR 26 HA THR 26 -7.096 8.021 -2.456 200 HB THR 26 HB THR 26 -9.170 6.397 -0.952 201 HG1 THR 26 HG1 THR 26 -10.228 7.356 -2.619 202 1HG2 THR 26 HG21 THR 26 -9.075 8.066 0.684 203 2HG2 THR 26 HG22 THR 26 -8.367 9.244 -0.420 204 3HG2 THR 26 HG23 THR 26 -7.385 7.919 0.204 205 H ALA 27 HN ALA 27 -7.451 4.533 -2.273 206 HA ALA 27 HA ALA 27 -5.873 3.956 0.027 207 1HB ALA 27 HB1 ALA 27 -5.742 2.258 -2.439 208 2HB ALA 27 HB2 ALA 27 -7.316 2.525 -1.690 209 3HB ALA 27 HB3 ALA 27 -6.015 1.775 -0.765 210 H GLU 28 HN GLU 28 -4.816 3.918 -3.406 211 HA GLU 28 HA GLU 28 -2.025 3.605 -2.909 212 1HB GLU 28 HB2 GLU 28 -3.539 3.523 -5.069 213 2HB GLU 28 HB1 GLU 28 -3.105 5.227 -5.201 214 1HG GLU 28 HG2 GLU 28 -0.660 4.237 -4.732 215 2HG GLU 28 HG1 GLU 28 -1.384 2.806 -5.468 216 H LYS 29 HN LYS 29 -4.031 6.543 -3.083 217 HA LYS 29 HA LYS 29 -1.925 8.477 -3.092 218 1HB LYS 29 HB2 LYS 29 -4.737 8.501 -1.940 219 2HB LYS 29 HB1 LYS 29 -3.745 9.945 -2.146 220 1HG LYS 29 HG2 LYS 29 -3.514 9.174 -4.615 221 2HG LYS 29 HG1 LYS 29 -4.905 8.147 -4.267 222 1HD LYS 29 HD2 LYS 29 -6.280 10.024 -3.726 223 2HD LYS 29 HD1 LYS 29 -4.893 11.112 -3.673 224 1HE LYS 29 HE2 LYS 29 -5.251 9.676 -6.244 225 2HE LYS 29 HE1 LYS 29 -6.502 10.874 -5.857 226 1HZ LYS 29 HZ1 LYS 29 -3.599 11.408 -5.561 227 2HZ LYS 29 HZ2 LYS 29 -4.873 12.530 -5.488 228 3HZ LYS 29 HZ3 LYS 29 -4.465 11.797 -6.966 229 H VAL 30 HN VAL 30 -3.609 6.849 -0.402 230 HA VAL 30 HA VAL 30 -1.992 8.225 1.638 231 HB VAL 30 HB VAL 30 -3.966 5.913 1.740 232 1HG1 VAL 30 HG11 VAL 30 -4.042 6.243 4.113 233 2HG1 VAL 30 HG12 VAL 30 -3.068 7.709 4.005 234 3HG1 VAL 30 HG13 VAL 30 -2.334 6.138 3.685 235 1HG2 VAL 30 HG21 VAL 30 -5.330 7.664 1.125 236 2HG2 VAL 30 HG22 VAL 30 -4.218 8.884 1.745 237 3HG2 VAL 30 HG23 VAL 30 -5.259 7.993 2.856 238 H PHE 31 HN PHE 31 -2.205 5.005 0.147 239 HA PHE 31 HA PHE 31 -0.212 3.709 1.777 240 1HB PHE 31 HB2 PHE 31 -1.533 3.286 -0.890 241 2HB PHE 31 HB1 PHE 31 -0.154 2.279 -0.465 242 HD1 PHE 31 HD1 PHE 31 -1.970 0.471 -0.768 243 HD2 PHE 31 HD2 PHE 31 -1.999 3.279 2.487 244 HE1 PHE 31 HE1 PHE 31 -3.456 -1.033 0.526 245 HE2 PHE 31 HE2 PHE 31 -3.472 1.767 3.775 246 HZ PHE 31 HZ PHE 31 -4.205 -0.387 2.796 247 H LYS 32 HN LYS 32 -0.065 5.609 -1.211 248 HA LYS 32 HA LYS 32 2.711 5.072 -1.806 249 1HB LYS 32 HB2 LYS 32 1.020 5.906 -3.424 250 2HB LYS 32 HB1 LYS 32 0.911 7.419 -2.522 251 1HG LYS 32 HG2 LYS 32 3.176 7.997 -3.044 252 2HG LYS 32 HG1 LYS 32 3.515 6.382 -3.666 253 1HD LYS 32 HD2 LYS 32 3.184 7.807 -5.575 254 2HD LYS 32 HD1 LYS 32 1.742 6.801 -5.430 255 1HE LYS 32 HE2 LYS 32 0.722 8.729 -4.061 256 2HE LYS 32 HE1 LYS 32 2.062 9.715 -4.679 257 1HZ LYS 32 HZ1 LYS 32 0.143 9.797 -6.169 258 2HZ LYS 32 HZ2 LYS 32 0.197 8.108 -6.346 259 3HZ LYS 32 HZ3 LYS 32 1.475 9.067 -6.924 260 H GLN 33 HN GLN 33 1.038 7.762 -0.136 261 HA GLN 33 HA GLN 33 3.358 9.318 0.461 262 1HB GLN 33 HB2 GLN 33 0.838 9.854 0.627 263 2HB GLN 33 HB1 GLN 33 0.913 9.077 2.208 264 1HG GLN 33 HG2 GLN 33 1.377 11.255 2.832 265 2HG GLN 33 HG1 GLN 33 3.015 10.689 2.499 266 1HE2 GLN 33 HE21 GLN 33 4.136 11.626 0.718 267 2HE2 GLN 33 HE22 GLN 33 3.466 12.829 -0.276 268 H TYR 34 HN TYR 34 1.894 6.568 2.018 269 HA TYR 34 HA TYR 34 3.374 6.644 4.498 270 1HB TYR 34 HB2 TYR 34 1.381 5.354 4.427 271 2HB TYR 34 HB1 TYR 34 1.815 4.601 2.897 272 HD1 TYR 34 HD1 TYR 34 2.496 4.662 6.536 273 HD2 TYR 34 HD2 TYR 34 3.197 2.623 2.822 274 HE1 TYR 34 HE1 TYR 34 3.475 2.744 7.772 275 HE2 TYR 34 HE2 TYR 34 4.174 0.708 4.051 276 HH TYR 34 HH TYR 34 5.327 0.772 6.931 277 H ALA 35 HN ALA 35 3.817 4.837 1.454 278 HA ALA 35 HA ALA 35 6.359 3.663 2.246 279 1HB ALA 35 HB1 ALA 35 5.145 2.434 0.674 280 2HB ALA 35 HB2 ALA 35 6.294 3.274 -0.371 281 3HB ALA 35 HB3 ALA 35 4.643 3.878 -0.211 282 H ASN 36 HN ASN 36 5.370 6.528 0.419 283 HA ASN 36 HA ASN 36 7.825 7.217 -0.799 284 1HB ASN 36 HB2 ASN 36 5.537 8.223 -1.143 285 2HB ASN 36 HB1 ASN 36 5.751 9.084 0.382 286 1HD2 ASN 36 HD21 ASN 36 5.705 9.972 -2.623 287 2HD2 ASN 36 HD22 ASN 36 7.074 10.969 -2.747 288 H ASP 37 HN ASP 37 6.554 8.107 2.418 289 HA ASP 37 HA ASP 37 8.865 9.674 3.196 290 1HB ASP 37 HB2 ASP 37 6.369 8.584 4.382 291 2HB ASP 37 HB1 ASP 37 7.668 8.932 5.524 292 H ASN 38 HN ASN 38 7.899 6.284 3.644 293 HA ASN 38 HA ASN 38 10.110 5.604 5.412 294 1HB ASN 38 HB2 ASN 38 8.047 4.121 3.780 295 2HB ASN 38 HB1 ASN 38 9.307 3.246 4.652 296 1HD2 ASN 38 HD21 ASN 38 6.169 4.116 5.025 297 2HD2 ASN 38 HD22 ASN 38 6.111 4.337 6.707 298 H GLY 39 HN GLY 39 9.532 5.466 1.921 299 1HA GLY 39 HA2 GLY 39 11.390 5.674 0.348 300 2HA GLY 39 HA1 GLY 39 12.430 4.884 1.533 301 H ILE 40 HN ILE 40 9.181 3.802 0.640 302 HA ILE 40 HA ILE 40 10.367 1.207 -0.222 303 HB ILE 40 HB ILE 40 7.565 2.076 0.568 304 1HG1 ILE 40 HG12 ILE 40 9.616 0.331 1.969 305 2HG1 ILE 40 HG11 ILE 40 9.276 2.010 2.380 306 1HG2 ILE 40 HG21 ILE 40 8.675 -0.555 -0.408 307 2HG2 ILE 40 HG22 ILE 40 7.169 0.243 -0.873 308 3HG2 ILE 40 HG23 ILE 40 7.311 -0.527 0.708 309 1HD1 ILE 40 HD11 ILE 40 7.155 -0.151 2.382 310 2HD1 ILE 40 HD12 ILE 40 7.027 1.479 3.046 311 3HD1 ILE 40 HD13 ILE 40 8.083 0.292 3.815 312 H ASP 41 HN ASP 41 10.985 2.544 -2.273 313 HA ASP 41 HA ASP 41 8.735 2.935 -4.173 314 1HB ASP 41 HB2 ASP 41 11.742 3.359 -4.338 315 2HB ASP 41 HB1 ASP 41 10.593 3.832 -5.590 316 H GLY 42 HN GLY 42 8.868 0.310 -3.451 317 1HA GLY 42 HA2 GLY 42 10.657 -1.260 -5.107 318 2HA GLY 42 HA1 GLY 42 9.304 -1.871 -4.154 319 H GLU 43 HN GLU 43 8.218 -3.085 -5.604 320 HA GLU 43 HA GLU 43 7.402 -1.837 -8.165 321 1HB GLU 43 HB2 GLU 43 7.841 -4.703 -7.295 322 2HB GLU 43 HB1 GLU 43 7.108 -4.275 -8.841 323 1HG GLU 43 HG2 GLU 43 9.777 -3.145 -7.998 324 2HG GLU 43 HG1 GLU 43 9.652 -4.696 -8.829 325 H TRP 44 HN TRP 44 5.427 -0.928 -7.636 326 HA TRP 44 HA TRP 44 3.613 -2.103 -5.753 327 1HB TRP 44 HB2 TRP 44 3.501 0.151 -7.742 328 2HB TRP 44 HB1 TRP 44 2.112 -0.268 -6.729 329 HD1 TRP 44 HD1 TRP 44 5.887 0.439 -6.267 330 HE1 TRP 44 HE1 TRP 44 6.204 1.637 -4.008 331 HE3 TRP 44 HE3 TRP 44 1.054 0.504 -4.616 332 HZ2 TRP 44 HZ2 TRP 44 4.625 2.480 -1.795 333 HZ3 TRP 44 HZ3 TRP 44 0.491 1.519 -2.426 334 HH2 TRP 44 HH2 TRP 44 2.270 2.514 -1.014 335 H THR 45 HN THR 45 1.790 -3.250 -6.062 336 HA THR 45 HA THR 45 0.747 -3.819 -8.763 337 HB THR 45 HB THR 45 0.906 -6.329 -8.099 338 HG1 THR 45 HG1 THR 45 3.042 -5.298 -6.552 339 1HG2 THR 45 HG21 THR 45 2.380 -4.812 -9.745 340 2HG2 THR 45 HG22 THR 45 2.756 -6.510 -9.451 341 3HG2 THR 45 HG23 THR 45 3.639 -5.250 -8.590 342 H TYR 46 HN TYR 46 -1.451 -3.973 -8.583 343 HA TYR 46 HA TYR 46 -2.607 -4.109 -5.837 344 1HB TYR 46 HB2 TYR 46 -3.148 -2.124 -7.068 345 2HB TYR 46 HB1 TYR 46 -3.477 -3.033 -8.537 346 HD1 TYR 46 HD1 TYR 46 -5.637 -3.891 -8.996 347 HD2 TYR 46 HD2 TYR 46 -4.738 -2.357 -5.085 348 HE1 TYR 46 HE1 TYR 46 -8.041 -3.992 -8.404 349 HE2 TYR 46 HE2 TYR 46 -7.141 -2.459 -4.494 350 HH TYR 46 HH TYR 46 -9.443 -4.107 -6.432 351 H ASP 47 HN ASP 47 -2.953 -6.285 -5.403 352 HA ASP 47 HA ASP 47 -3.876 -8.171 -7.449 353 1HB ASP 47 HB2 ASP 47 -2.978 -8.144 -4.625 354 2HB ASP 47 HB1 ASP 47 -4.140 -9.411 -5.022 355 H ASP 48 HN ASP 48 -5.982 -7.921 -8.116 356 HA ASP 48 HA ASP 48 -8.100 -6.755 -6.569 357 1HB ASP 48 HB2 ASP 48 -7.675 -7.413 -9.165 358 2HB ASP 48 HB1 ASP 48 -8.729 -8.745 -8.688 359 H ALA 49 HN ALA 49 -6.781 -9.992 -6.653 360 HA ALA 49 HA ALA 49 -8.911 -11.614 -5.854 361 1HB ALA 49 HB1 ALA 49 -7.215 -13.104 -5.161 362 2HB ALA 49 HB2 ALA 49 -6.171 -11.793 -4.612 363 3HB ALA 49 HB3 ALA 49 -6.396 -12.077 -6.338 364 H THR 50 HN THR 50 -6.988 -9.379 -3.882 365 HA THR 50 HA THR 50 -9.037 -9.583 -1.727 366 HB THR 50 HB THR 50 -7.188 -9.856 -0.073 367 HG1 THR 50 HG1 THR 50 -5.264 -9.481 -0.773 368 1HG2 THR 50 HG21 THR 50 -6.837 -12.190 -0.475 369 2HG2 THR 50 HG22 THR 50 -7.039 -11.987 -2.215 370 3HG2 THR 50 HG23 THR 50 -8.425 -11.806 -1.139 371 H LYS 51 HN LYS 51 -7.716 -7.533 -3.796 372 HA LYS 51 HA LYS 51 -7.196 -5.228 -3.808 373 1HB LYS 51 HB2 LYS 51 -9.382 -5.837 -2.035 374 2HB LYS 51 HB1 LYS 51 -8.472 -4.489 -1.354 375 1HG LYS 51 HG2 LYS 51 -9.749 -3.242 -2.773 376 2HG LYS 51 HG1 LYS 51 -8.556 -3.748 -3.970 377 1HD LYS 51 HD2 LYS 51 -10.732 -4.217 -4.896 378 2HD LYS 51 HD1 LYS 51 -10.019 -5.763 -4.434 379 1HE LYS 51 HE2 LYS 51 -11.531 -6.100 -2.731 380 2HE LYS 51 HE1 LYS 51 -11.642 -4.369 -2.353 381 1HZ LYS 51 HZ1 LYS 51 -12.845 -4.019 -4.411 382 2HZ LYS 51 HZ2 LYS 51 -13.656 -5.167 -3.457 383 3HZ LYS 51 HZ3 LYS 51 -12.735 -5.668 -4.794 384 H THR 52 HN THR 52 -4.871 -5.698 -3.326 385 HA THR 52 HA THR 52 -4.077 -4.481 -0.735 386 HB THR 52 HB THR 52 -3.081 -7.179 -1.690 387 HG1 THR 52 HG1 THR 52 -4.851 -6.580 0.439 388 1HG2 THR 52 HG21 THR 52 -1.403 -6.432 -0.298 389 2HG2 THR 52 HG22 THR 52 -2.494 -7.103 0.915 390 3HG2 THR 52 HG23 THR 52 -2.481 -5.367 0.604 391 H PHE 53 HN PHE 53 -2.802 -2.826 -1.494 392 HA PHE 53 HA PHE 53 -1.265 -2.886 -3.938 393 1HB PHE 53 HB2 PHE 53 -1.163 -1.213 -1.407 394 2HB PHE 53 HB1 PHE 53 -0.208 -0.846 -2.843 395 HD1 PHE 53 HD1 PHE 53 -1.247 -0.021 -4.878 396 HD2 PHE 53 HD2 PHE 53 -3.620 -1.024 -1.444 397 HE1 PHE 53 HE1 PHE 53 -3.198 1.132 -5.888 398 HE2 PHE 53 HE2 PHE 53 -5.570 0.127 -2.448 399 HZ PHE 53 HZ PHE 53 -5.359 1.206 -4.673 400 H THR 54 HN THR 54 0.406 -4.331 -4.176 401 HA THR 54 HA THR 54 2.013 -5.071 -1.764 402 HB THR 54 HB THR 54 1.747 -6.301 -4.521 403 HG1 THR 54 HG1 THR 54 0.622 -7.018 -2.022 404 1HG2 THR 54 HG21 THR 54 2.615 -7.969 -2.261 405 2HG2 THR 54 HG22 THR 54 3.774 -6.715 -2.704 406 3HG2 THR 54 HG23 THR 54 3.242 -7.890 -3.907 407 H VAL 55 HN VAL 55 3.673 -3.448 -1.638 408 HA VAL 55 HA VAL 55 5.328 -3.035 -4.049 409 HB VAL 55 HB VAL 55 4.500 -1.030 -2.770 410 1HG1 VAL 55 HG11 VAL 55 5.358 -0.527 -0.597 411 2HG1 VAL 55 HG12 VAL 55 6.427 -1.940 -0.649 412 3HG1 VAL 55 HG13 VAL 55 4.679 -2.159 -0.516 413 1HG2 VAL 55 HG21 VAL 55 6.613 0.136 -2.784 414 2HG2 VAL 55 HG22 VAL 55 6.613 -1.018 -4.117 415 3HG2 VAL 55 HG23 VAL 55 7.495 -1.381 -2.633 416 H THR 56 HN THR 56 7.731 -3.067 -3.634 417 HA THR 56 HA THR 56 8.711 -4.631 -1.351 418 HB THR 56 HB THR 56 8.681 -5.676 -4.195 419 HG1 THR 56 HG1 THR 56 7.412 -6.670 -1.869 420 1HG2 THR 56 HG21 THR 56 10.590 -6.195 -2.311 421 2HG2 THR 56 HG22 THR 56 10.114 -7.335 -3.568 422 3HG2 THR 56 HG23 THR 56 9.414 -7.459 -1.954 423 H GLU 57 HN GLU 57 10.473 -3.318 -0.934 424 HA GLU 57 HA GLU 57 12.041 -2.135 -3.150 425 1HB GLU 57 HB2 GLU 57 11.244 -1.167 -0.796 426 2HB GLU 57 HB1 GLU 57 12.745 -1.913 -0.246 427 1HG GLU 57 HG2 GLU 57 12.919 -0.306 -2.741 428 2HG GLU 57 HG1 GLU 57 12.641 0.595 -1.250 Start of MODEL 39 1 1H MET 1 HT1 MET 1 -17.378 2.834 3.589 2 2H MET 1 HT2 MET 1 -17.019 1.203 3.275 3 3H MET 1 HT3 MET 1 -17.195 2.300 1.989 4 HA MET 1 HA MET 1 -15.191 3.424 2.529 5 1HB MET 1 HB2 MET 1 -14.015 2.811 4.642 6 2HB MET 1 HB1 MET 1 -15.635 3.439 4.943 7 1HG MET 1 HG2 MET 1 -16.514 1.242 5.323 8 2HG MET 1 HG1 MET 1 -15.048 0.479 4.709 9 1HE MET 1 HE1 MET 1 -15.950 -0.702 7.122 10 2HE MET 1 HE2 MET 1 -14.642 -0.608 8.299 11 3HE MET 1 HE3 MET 1 -14.278 -0.984 6.617 12 H THR 2 HN THR 2 -13.205 2.622 1.736 13 HA THR 2 HA THR 2 -13.211 -0.270 0.979 14 HB THR 2 HB THR 2 -11.424 1.930 -0.069 15 HG1 THR 2 HG1 THR 2 -13.434 2.739 -0.380 16 1HG2 THR 2 HG21 THR 2 -11.716 0.473 -2.159 17 2HG2 THR 2 HG22 THR 2 -12.430 -0.729 -1.081 18 3HG2 THR 2 HG23 THR 2 -10.760 -0.212 -0.842 19 H THR 3 HN THR 3 -12.010 -1.504 2.367 20 HA THR 3 HA THR 3 -9.832 -0.344 3.933 21 HB THR 3 HB THR 3 -10.846 -3.190 3.813 22 HG1 THR 3 HG1 THR 3 -12.620 -2.370 4.544 23 1HG2 THR 3 HG21 THR 3 -10.186 -2.849 6.351 24 2HG2 THR 3 HG22 THR 3 -9.162 -1.575 5.690 25 3HG2 THR 3 HG23 THR 3 -8.953 -3.242 5.153 26 H PHE 4 HN PHE 4 -8.283 0.043 2.166 27 HA PHE 4 HA PHE 4 -7.363 -2.152 0.477 28 1HB PHE 4 HB2 PHE 4 -6.397 0.643 1.128 29 2HB PHE 4 HB1 PHE 4 -5.546 -0.402 -0.007 30 HD1 PHE 4 HD1 PHE 4 -6.880 -1.370 -1.982 31 HD2 PHE 4 HD2 PHE 4 -8.282 1.876 0.457 32 HE1 PHE 4 HE1 PHE 4 -8.485 -0.724 -3.761 33 HE2 PHE 4 HE2 PHE 4 -9.885 2.520 -1.321 34 HZ PHE 4 HZ PHE 4 -9.987 1.218 -3.428 35 H LYS 5 HN LYS 5 -4.946 -2.750 0.544 36 HA LYS 5 HA LYS 5 -3.834 -2.774 3.318 37 1HB LYS 5 HB2 LYS 5 -4.682 -5.063 1.565 38 2HB LYS 5 HB1 LYS 5 -3.336 -5.288 2.683 39 1HG LYS 5 HG2 LYS 5 -4.711 -4.702 4.574 40 2HG LYS 5 HG1 LYS 5 -6.039 -4.211 3.522 41 1HD LYS 5 HD2 LYS 5 -4.947 -7.011 3.369 42 2HD LYS 5 HD1 LYS 5 -6.117 -6.582 4.618 43 1HE LYS 5 HE2 LYS 5 -6.822 -5.659 1.889 44 2HE LYS 5 HE1 LYS 5 -6.847 -7.417 2.129 45 1HZ LYS 5 HZ1 LYS 5 -8.199 -5.378 3.815 46 2HZ LYS 5 HZ2 LYS 5 -8.109 -7.031 4.197 47 3HZ LYS 5 HZ3 LYS 5 -8.953 -6.520 2.813 48 H LEU 6 HN LEU 6 -1.951 -1.626 2.864 49 HA LEU 6 HA LEU 6 -0.410 -2.180 0.398 50 1HB LEU 6 HB2 LEU 6 -0.926 0.079 1.688 51 2HB LEU 6 HB1 LEU 6 0.455 -0.398 2.659 52 HG LEU 6 HG LEU 6 0.364 0.695 -0.081 53 1HD1 LEU 6 HD11 LEU 6 2.220 0.601 2.266 54 2HD1 LEU 6 HD12 LEU 6 1.574 1.993 1.396 55 3HD1 LEU 6 HD13 LEU 6 2.876 1.038 0.688 56 1HD2 LEU 6 HD21 LEU 6 2.156 -1.690 0.502 57 2HD2 LEU 6 HD22 LEU 6 2.475 -0.530 -0.789 58 3HD2 LEU 6 HD23 LEU 6 1.011 -1.514 -0.828 59 H ILE 7 HN ILE 7 0.783 -4.097 0.565 60 HA ILE 7 HA ILE 7 1.807 -5.146 3.037 61 HB ILE 7 HB ILE 7 1.389 -6.128 0.568 62 1HG1 ILE 7 HG12 ILE 7 3.000 -8.012 1.255 63 2HG1 ILE 7 HG11 ILE 7 3.354 -7.021 2.672 64 1HG2 ILE 7 HG21 ILE 7 3.390 -4.755 -0.295 65 2HG2 ILE 7 HG22 ILE 7 3.335 -6.461 -0.732 66 3HG2 ILE 7 HG23 ILE 7 4.399 -5.917 0.564 67 1HD1 ILE 7 HD11 ILE 7 0.816 -8.414 1.915 68 2HD1 ILE 7 HD12 ILE 7 0.699 -6.899 2.811 69 3HD1 ILE 7 HD13 ILE 7 1.583 -8.263 3.496 70 H ILE 8 HN ILE 8 4.149 -5.256 3.627 71 HA ILE 8 HA ILE 8 5.635 -2.819 2.703 72 HB ILE 8 HB ILE 8 5.480 -4.103 5.450 73 1HG1 ILE 8 HG12 ILE 8 3.414 -2.909 4.807 74 2HG1 ILE 8 HG11 ILE 8 4.271 -2.036 6.075 75 1HG2 ILE 8 HG21 ILE 8 7.677 -2.956 4.767 76 2HG2 ILE 8 HG22 ILE 8 6.904 -2.370 6.239 77 3HG2 ILE 8 HG23 ILE 8 6.754 -1.454 4.740 78 1HD1 ILE 8 HD11 ILE 8 3.538 -0.447 4.381 79 2HD1 ILE 8 HD12 ILE 8 4.299 -1.400 3.109 80 3HD1 ILE 8 HD13 ILE 8 5.295 -0.580 4.311 81 H ASN 9 HN ASN 9 6.588 -4.431 1.118 82 HA ASN 9 HA ASN 9 8.512 -6.350 2.336 83 1HB ASN 9 HB2 ASN 9 6.939 -6.135 -0.081 84 2HB ASN 9 HB1 ASN 9 8.640 -6.288 -0.516 85 1HD2 ASN 9 HD21 ASN 9 6.119 -8.238 -0.340 86 2HD2 ASN 9 HD22 ASN 9 6.798 -9.626 0.364 87 H GLY 10 HN GLY 10 9.132 -3.736 2.911 88 1HA GLY 10 HA2 GLY 10 11.317 -3.037 0.999 89 2HA GLY 10 HA1 GLY 10 10.485 -1.860 2.016 90 H LYS 11 HN LYS 11 13.351 -2.400 1.902 91 HA LYS 11 HA LYS 11 14.177 -3.912 4.228 92 1HB LYS 11 HB2 LYS 11 15.455 -3.145 2.102 93 2HB LYS 11 HB1 LYS 11 15.679 -1.623 2.963 94 1HG LYS 11 HG2 LYS 11 16.284 -4.026 4.570 95 2HG LYS 11 HG1 LYS 11 17.348 -3.794 3.183 96 1HD LYS 11 HD2 LYS 11 17.729 -1.434 3.933 97 2HD LYS 11 HD1 LYS 11 16.781 -1.781 5.379 98 1HE LYS 11 HE2 LYS 11 18.772 -2.414 6.301 99 2HE LYS 11 HE1 LYS 11 18.605 -3.882 5.317 100 1HZ LYS 11 HZ1 LYS 11 20.673 -2.875 4.748 101 2HZ LYS 11 HZ2 LYS 11 19.954 -1.349 4.550 102 3HZ LYS 11 HZ3 LYS 11 19.612 -2.601 3.453 103 H THR 12 HN THR 12 12.686 -0.820 3.878 104 HA THR 12 HA THR 12 13.885 0.367 6.289 105 HB THR 12 HB THR 12 11.481 1.255 4.674 106 HG1 THR 12 HG1 THR 12 12.798 1.906 3.158 107 1HG2 THR 12 HG21 THR 12 13.580 2.917 6.072 108 2HG2 THR 12 HG22 THR 12 12.118 2.364 6.890 109 3HG2 THR 12 HG23 THR 12 11.995 3.430 5.491 110 H LEU 13 HN LEU 13 10.838 -1.207 5.328 111 HA LEU 13 HA LEU 13 10.158 -1.491 8.226 112 1HB LEU 13 HB2 LEU 13 8.563 -0.168 6.033 113 2HB LEU 13 HB1 LEU 13 7.761 -0.847 7.450 114 HG LEU 13 HG LEU 13 10.023 1.167 7.583 115 1HD1 LEU 13 HD11 LEU 13 7.019 1.483 7.635 116 2HD1 LEU 13 HD12 LEU 13 8.191 2.350 6.643 117 3HD1 LEU 13 HD13 LEU 13 8.089 2.675 8.373 118 1HD2 LEU 13 HD21 LEU 13 8.850 1.368 9.946 119 2HD2 LEU 13 HD22 LEU 13 10.019 0.082 9.646 120 3HD2 LEU 13 HD23 LEU 13 8.291 -0.263 9.575 121 H LYS 14 HN LYS 14 8.209 -3.034 8.436 122 HA LYS 14 HA LYS 14 7.798 -4.904 6.194 123 1HB LYS 14 HB2 LYS 14 9.958 -5.269 7.864 124 2HB LYS 14 HB1 LYS 14 8.727 -6.263 8.643 125 1HG LYS 14 HG2 LYS 14 9.056 -6.460 5.671 126 2HG LYS 14 HG1 LYS 14 10.236 -7.264 6.707 127 1HD LYS 14 HD2 LYS 14 8.662 -8.723 7.602 128 2HD LYS 14 HD1 LYS 14 7.316 -7.628 7.285 129 1HE LYS 14 HE2 LYS 14 7.097 -9.393 5.672 130 2HE LYS 14 HE1 LYS 14 7.808 -8.035 4.777 131 1HZ LYS 14 HZ1 LYS 14 9.117 -9.991 4.368 132 2HZ LYS 14 HZ2 LYS 14 9.275 -10.295 6.032 133 3HZ LYS 14 HZ3 LYS 14 10.020 -8.934 5.340 134 H GLY 15 HN GLY 15 5.789 -5.883 6.394 135 1HA GLY 15 HA2 GLY 15 4.294 -6.967 8.240 136 2HA GLY 15 HA1 GLY 15 4.276 -5.331 8.898 137 H GLU 16 HN GLU 16 2.165 -4.719 8.526 138 HA GLU 16 HA GLU 16 1.311 -4.530 5.668 139 1HB GLU 16 HB2 GLU 16 0.451 -6.537 7.220 140 2HB GLU 16 HB1 GLU 16 -0.684 -5.299 7.758 141 1HG GLU 16 HG2 GLU 16 -1.225 -4.858 5.332 142 2HG GLU 16 HG1 GLU 16 -0.251 -6.270 4.922 143 H THR 17 HN THR 17 -0.559 -2.982 5.446 144 HA THR 17 HA THR 17 -0.964 -1.091 7.694 145 HB THR 17 HB THR 17 0.031 -0.134 5.003 146 HG1 THR 17 HG1 THR 17 2.073 -0.170 5.829 147 1HG2 THR 17 HG21 THR 17 0.213 1.936 6.011 148 2HG2 THR 17 HG22 THR 17 0.478 1.249 7.613 149 3HG2 THR 17 HG23 THR 17 -1.146 1.282 6.925 150 H THR 18 HN THR 18 -3.091 -0.485 7.661 151 HA THR 18 HA THR 18 -4.563 -0.581 5.045 152 HB THR 18 HB THR 18 -6.501 -1.326 6.514 153 HG1 THR 18 HG1 THR 18 -5.805 -0.708 8.505 154 1HG2 THR 18 HG21 THR 18 -4.286 -3.293 6.885 155 2HG2 THR 18 HG22 THR 18 -4.681 -2.796 5.239 156 3HG2 THR 18 HG23 THR 18 -5.915 -3.542 6.256 157 H THR 19 HN THR 19 -6.156 1.055 4.759 158 HA THR 19 HA THR 19 -6.556 3.061 6.907 159 HB THR 19 HB THR 19 -4.500 3.733 5.719 160 HG1 THR 19 HG1 THR 19 -6.702 5.325 4.919 161 1HG2 THR 19 HG21 THR 19 -5.939 4.282 3.185 162 2HG2 THR 19 HG22 THR 19 -5.590 2.585 3.516 163 3HG2 THR 19 HG23 THR 19 -4.275 3.759 3.446 164 H GLU 20 HN GLU 20 -8.675 3.695 6.855 165 HA GLU 20 HA GLU 20 -10.573 2.705 4.964 166 1HB GLU 20 HB2 GLU 20 -10.488 4.823 7.094 167 2HB GLU 20 HB1 GLU 20 -11.910 4.713 6.055 168 1HG GLU 20 HG2 GLU 20 -12.385 3.320 7.933 169 2HG GLU 20 HG1 GLU 20 -11.952 2.218 6.625 170 H ALA 21 HN ALA 21 -10.744 3.317 2.850 171 HA ALA 21 HA ALA 21 -10.472 6.212 2.159 172 1HB ALA 21 HB1 ALA 21 -8.724 5.817 0.712 173 2HB ALA 21 HB2 ALA 21 -9.293 4.197 0.310 174 3HB ALA 21 HB3 ALA 21 -8.426 4.478 1.820 175 H VAL 22 HN VAL 22 -11.563 6.749 0.140 176 HA VAL 22 HA VAL 22 -14.043 5.368 -0.291 177 HB VAL 22 HB VAL 22 -13.612 7.782 -0.700 178 1HG1 VAL 22 HG11 VAL 22 -12.025 6.803 -3.096 179 2HG1 VAL 22 HG12 VAL 22 -11.327 7.531 -1.651 180 3HG1 VAL 22 HG13 VAL 22 -12.374 8.485 -2.699 181 1HG2 VAL 22 HG21 VAL 22 -14.845 7.945 -2.814 182 2HG2 VAL 22 HG22 VAL 22 -15.490 6.623 -1.842 183 3HG2 VAL 22 HG23 VAL 22 -14.427 6.277 -3.206 184 H ASP 23 HN ASP 23 -10.922 5.279 -1.988 185 HA ASP 23 HA ASP 23 -11.371 2.629 -3.050 186 1HB ASP 23 HB2 ASP 23 -12.858 4.401 -4.373 187 2HB ASP 23 HB1 ASP 23 -11.340 4.700 -5.218 188 H ALA 24 HN ALA 24 -9.669 2.456 -5.105 189 HA ALA 24 HA ALA 24 -7.077 2.673 -4.056 190 1HB ALA 24 HB1 ALA 24 -8.291 2.388 -6.781 191 2HB ALA 24 HB2 ALA 24 -7.333 1.226 -5.862 192 3HB ALA 24 HB3 ALA 24 -6.544 2.594 -6.647 193 H ALA 25 HN ALA 25 -9.011 5.113 -5.652 194 HA ALA 25 HA ALA 25 -7.019 6.897 -6.603 195 1HB ALA 25 HB1 ALA 25 -9.113 7.583 -7.223 196 2HB ALA 25 HB2 ALA 25 -9.025 8.535 -5.741 197 3HB ALA 25 HB3 ALA 25 -9.854 6.978 -5.742 198 H THR 26 HN THR 26 -8.497 6.666 -3.355 199 HA THR 26 HA THR 26 -6.634 8.735 -2.318 200 HB THR 26 HB THR 26 -8.832 7.158 -0.944 201 HG1 THR 26 HG1 THR 26 -10.032 9.123 -1.410 202 1HG2 THR 26 HG21 THR 26 -8.661 8.678 0.794 203 2HG2 THR 26 HG22 THR 26 -7.999 9.944 -0.240 204 3HG2 THR 26 HG23 THR 26 -6.976 8.605 0.280 205 H ALA 27 HN ALA 27 -7.237 5.263 -2.157 206 HA ALA 27 HA ALA 27 -5.686 4.569 0.125 207 1HB ALA 27 HB1 ALA 27 -5.647 2.842 -2.312 208 2HB ALA 27 HB2 ALA 27 -7.224 3.261 -1.646 209 3HB ALA 27 HB3 ALA 27 -6.041 2.417 -0.647 210 H GLU 28 HN GLU 28 -4.642 4.296 -3.292 211 HA GLU 28 HA GLU 28 -1.866 3.903 -2.750 212 1HB GLU 28 HB2 GLU 28 -3.165 3.501 -4.887 213 2HB GLU 28 HB1 GLU 28 -3.135 5.243 -5.159 214 1HG GLU 28 HG2 GLU 28 -0.685 5.231 -5.160 215 2HG GLU 28 HG1 GLU 28 -0.677 3.501 -4.812 216 H LYS 29 HN LYS 29 -3.759 6.888 -3.175 217 HA LYS 29 HA LYS 29 -1.595 8.738 -3.390 218 1HB LYS 29 HB2 LYS 29 -4.097 9.085 -3.734 219 2HB LYS 29 HB1 LYS 29 -4.242 9.172 -1.978 220 1HG LYS 29 HG2 LYS 29 -2.504 11.006 -2.013 221 2HG LYS 29 HG1 LYS 29 -2.627 11.002 -3.772 222 1HD LYS 29 HD2 LYS 29 -5.242 11.175 -3.180 223 2HD LYS 29 HD1 LYS 29 -4.585 11.952 -1.739 224 1HE LYS 29 HE2 LYS 29 -3.501 13.649 -3.018 225 2HE LYS 29 HE1 LYS 29 -3.714 12.748 -4.532 226 1HZ LYS 29 HZ1 LYS 29 -5.865 13.889 -2.827 227 2HZ LYS 29 HZ2 LYS 29 -6.138 12.880 -4.167 228 3HZ LYS 29 HZ3 LYS 29 -5.426 14.408 -4.381 229 H VAL 30 HN VAL 30 -3.260 7.422 -0.521 230 HA VAL 30 HA VAL 30 -1.577 8.935 1.351 231 HB VAL 30 HB VAL 30 -3.604 6.686 1.634 232 1HG1 VAL 30 HG11 VAL 30 -2.100 8.307 3.696 233 2HG1 VAL 30 HG12 VAL 30 -2.272 6.553 3.599 234 3HG1 VAL 30 HG13 VAL 30 -3.651 7.551 4.062 235 1HG2 VAL 30 HG21 VAL 30 -4.723 8.884 2.760 236 2HG2 VAL 30 HG22 VAL 30 -4.932 8.465 1.061 237 3HG2 VAL 30 HG23 VAL 30 -3.719 9.655 1.532 238 H PHE 31 HN PHE 31 -1.839 5.566 0.208 239 HA PHE 31 HA PHE 31 0.226 4.490 1.908 240 1HB PHE 31 HB2 PHE 31 -1.178 3.697 -0.635 241 2HB PHE 31 HB1 PHE 31 0.171 2.728 -0.040 242 HD1 PHE 31 HD1 PHE 31 -0.032 2.649 2.791 243 HD2 PHE 31 HD2 PHE 31 -3.219 2.719 -0.088 244 HE1 PHE 31 HE1 PHE 31 -1.536 1.555 4.430 245 HE2 PHE 31 HE2 PHE 31 -4.723 1.628 1.553 246 HZ PHE 31 HZ PHE 31 -3.882 1.045 3.811 247 H LYS 32 HN LYS 32 0.252 5.878 -1.371 248 HA LYS 32 HA LYS 32 2.972 5.250 -2.026 249 1HB LYS 32 HB2 LYS 32 1.214 6.006 -3.615 250 2HB LYS 32 HB1 LYS 32 1.214 7.596 -2.851 251 1HG LYS 32 HG2 LYS 32 2.731 8.084 -4.490 252 2HG LYS 32 HG1 LYS 32 3.866 7.321 -3.377 253 1HD LYS 32 HD2 LYS 32 4.074 5.440 -4.661 254 2HD LYS 32 HD1 LYS 32 2.386 5.479 -5.173 255 1HE LYS 32 HE2 LYS 32 2.827 7.152 -6.834 256 2HE LYS 32 HE1 LYS 32 4.445 7.468 -6.178 257 1HZ LYS 32 HZ1 LYS 32 5.085 5.214 -6.687 258 2HZ LYS 32 HZ2 LYS 32 4.506 5.959 -8.100 259 3HZ LYS 32 HZ3 LYS 32 3.529 4.855 -7.257 260 H GLN 33 HN GLN 33 1.513 8.198 -0.591 261 HA GLN 33 HA GLN 33 3.922 9.683 -0.244 262 1HB GLN 33 HB2 GLN 33 1.564 10.510 -0.037 263 2HB GLN 33 HB1 GLN 33 1.432 9.635 1.489 264 1HG GLN 33 HG2 GLN 33 1.999 11.874 2.088 265 2HG GLN 33 HG1 GLN 33 3.492 10.949 2.253 266 1HE2 GLN 33 HE21 GLN 33 5.100 12.432 1.619 267 2HE2 GLN 33 HE22 GLN 33 5.091 13.275 0.145 268 H TYR 34 HN TYR 34 2.419 7.178 1.646 269 HA TYR 34 HA TYR 34 4.050 7.386 4.020 270 1HB TYR 34 HB2 TYR 34 2.076 6.186 4.321 271 2HB TYR 34 HB1 TYR 34 2.149 5.462 2.720 272 HD1 TYR 34 HD1 TYR 34 3.154 3.325 2.378 273 HD2 TYR 34 HD2 TYR 34 3.539 5.321 6.154 274 HE1 TYR 34 HE1 TYR 34 4.081 1.251 3.367 275 HE2 TYR 34 HE2 TYR 34 4.469 3.247 7.158 276 HH TYR 34 HH TYR 34 4.131 0.480 6.296 277 H ALA 35 HN ALA 35 4.139 5.012 1.338 278 HA ALA 35 HA ALA 35 6.677 3.866 1.989 279 1HB ALA 35 HB1 ALA 35 4.782 3.982 -0.306 280 2HB ALA 35 HB2 ALA 35 5.500 2.574 0.487 281 3HB ALA 35 HB3 ALA 35 6.436 3.497 -0.690 282 H ASN 36 HN ASN 36 5.797 6.476 -0.283 283 HA ASN 36 HA ASN 36 8.322 7.001 -1.406 284 1HB ASN 36 HB2 ASN 36 6.102 7.935 -2.080 285 2HB ASN 36 HB1 ASN 36 6.146 8.975 -0.656 286 1HD2 ASN 36 HD21 ASN 36 8.039 10.539 -0.539 287 2HD2 ASN 36 HD22 ASN 36 8.697 11.120 -1.992 288 H ASP 37 HN ASP 37 6.887 8.288 1.596 289 HA ASP 37 HA ASP 37 9.061 10.062 2.262 290 1HB ASP 37 HB2 ASP 37 6.687 10.057 3.145 291 2HB ASP 37 HB1 ASP 37 7.116 8.643 4.109 292 H ASN 38 HN ASN 38 8.308 6.695 3.162 293 HA ASN 38 HA ASN 38 10.603 6.371 4.914 294 1HB ASN 38 HB2 ASN 38 8.614 4.560 3.534 295 2HB ASN 38 HB1 ASN 38 9.931 3.897 4.503 296 1HD2 ASN 38 HD21 ASN 38 6.850 5.557 4.652 297 2HD2 ASN 38 HD22 ASN 38 6.738 5.608 6.345 298 H GLY 39 HN GLY 39 9.875 5.196 1.607 299 1HA GLY 39 HA2 GLY 39 11.799 5.604 -0.031 300 2HA GLY 39 HA1 GLY 39 12.813 4.835 1.190 301 H ILE 40 HN ILE 40 9.544 3.927 0.080 302 HA ILE 40 HA ILE 40 10.613 1.199 -0.506 303 HB ILE 40 HB ILE 40 7.815 2.255 0.027 304 1HG1 ILE 40 HG12 ILE 40 9.679 0.549 1.712 305 2HG1 ILE 40 HG11 ILE 40 9.378 2.267 1.969 306 1HG2 ILE 40 HG21 ILE 40 8.868 -0.426 -0.795 307 2HG2 ILE 40 HG22 ILE 40 7.335 0.346 -1.212 308 3HG2 ILE 40 HG23 ILE 40 7.555 -0.384 0.380 309 1HD1 ILE 40 HD11 ILE 40 7.315 0.048 2.116 310 2HD1 ILE 40 HD12 ILE 40 6.959 1.767 2.295 311 3HD1 ILE 40 HD13 ILE 40 7.978 0.947 3.481 312 H ASP 41 HN ASP 41 11.347 2.726 -2.544 313 HA ASP 41 HA ASP 41 9.262 3.028 -4.593 314 1HB ASP 41 HB2 ASP 41 11.215 3.752 -5.959 315 2HB ASP 41 HB1 ASP 41 11.186 4.567 -4.397 316 H GLY 42 HN GLY 42 8.919 0.507 -3.991 317 1HA GLY 42 HA2 GLY 42 10.725 -1.262 -5.510 318 2HA GLY 42 HA1 GLY 42 9.373 -1.770 -4.495 319 H GLU 43 HN GLU 43 8.205 -2.980 -5.908 320 HA GLU 43 HA GLU 43 7.288 -1.677 -8.404 321 1HB GLU 43 HB2 GLU 43 7.103 -3.990 -9.301 322 2HB GLU 43 HB1 GLU 43 8.745 -3.628 -8.776 323 1HG GLU 43 HG2 GLU 43 7.418 -4.657 -6.495 324 2HG GLU 43 HG1 GLU 43 6.945 -5.695 -7.836 325 H TRP 44 HN TRP 44 5.347 -0.828 -7.774 326 HA TRP 44 HA TRP 44 3.626 -2.048 -5.841 327 1HB TRP 44 HB2 TRP 44 3.382 0.208 -7.815 328 2HB TRP 44 HB1 TRP 44 2.064 -0.225 -6.720 329 HD1 TRP 44 HD1 TRP 44 5.795 0.742 -6.592 330 HE1 TRP 44 HE1 TRP 44 6.243 1.897 -4.327 331 HE3 TRP 44 HE3 TRP 44 1.205 0.225 -4.413 332 HZ2 TRP 44 HZ2 TRP 44 4.838 2.504 -1.921 333 HZ3 TRP 44 HZ3 TRP 44 0.790 1.098 -2.130 334 HH2 TRP 44 HH2 TRP 44 2.602 2.240 -0.881 335 H THR 45 HN THR 45 1.794 -3.190 -6.068 336 HA THR 45 HA THR 45 0.629 -3.753 -8.722 337 HB THR 45 HB THR 45 0.748 -6.262 -7.989 338 HG1 THR 45 HG1 THR 45 2.132 -6.724 -6.455 339 1HG2 THR 45 HG21 THR 45 2.698 -6.557 -9.298 340 2HG2 THR 45 HG22 THR 45 3.378 -5.014 -8.780 341 3HG2 THR 45 HG23 THR 45 2.001 -5.045 -9.882 342 H TYR 46 HN TYR 46 -1.562 -3.825 -8.443 343 HA TYR 46 HA TYR 46 -2.587 -3.915 -5.640 344 1HB TYR 46 HB2 TYR 46 -3.054 -1.873 -6.800 345 2HB TYR 46 HB1 TYR 46 -3.511 -2.722 -8.270 346 HD1 TYR 46 HD1 TYR 46 -5.735 -3.508 -8.612 347 HD2 TYR 46 HD2 TYR 46 -4.572 -1.966 -4.776 348 HE1 TYR 46 HE1 TYR 46 -8.109 -3.470 -7.905 349 HE2 TYR 46 HE2 TYR 46 -6.936 -1.926 -4.073 350 HH TYR 46 HH TYR 46 -9.394 -3.515 -5.793 351 H ASP 47 HN ASP 47 -3.792 -5.659 -5.031 352 HA ASP 47 HA ASP 47 -4.621 -7.647 -7.094 353 1HB ASP 47 HB2 ASP 47 -3.250 -7.878 -4.755 354 2HB ASP 47 HB1 ASP 47 -4.892 -8.172 -4.183 355 H ASP 48 HN ASP 48 -6.691 -7.260 -7.800 356 HA ASP 48 HA ASP 48 -8.696 -5.827 -6.298 357 1HB ASP 48 HB2 ASP 48 -10.136 -6.559 -8.186 358 2HB ASP 48 HB1 ASP 48 -8.582 -5.950 -8.755 359 H ALA 49 HN ALA 49 -7.780 -9.206 -6.462 360 HA ALA 49 HA ALA 49 -10.101 -10.557 -5.688 361 1HB ALA 49 HB1 ALA 49 -7.258 -11.002 -4.732 362 2HB ALA 49 HB2 ALA 49 -7.895 -11.539 -6.286 363 3HB ALA 49 HB3 ALA 49 -8.532 -12.220 -4.788 364 H THR 50 HN THR 50 -7.859 -8.694 -3.658 365 HA THR 50 HA THR 50 -9.905 -8.663 -1.495 366 HB THR 50 HB THR 50 -8.139 -9.335 0.132 367 HG1 THR 50 HG1 THR 50 -6.186 -10.083 -0.694 368 1HG2 THR 50 HG21 THR 50 -9.679 -10.989 -1.057 369 2HG2 THR 50 HG22 THR 50 -8.199 -11.666 -0.377 370 3HG2 THR 50 HG23 THR 50 -8.313 -11.355 -2.110 371 H LYS 51 HN LYS 51 -8.288 -6.763 -3.472 372 HA LYS 51 HA LYS 51 -7.406 -4.575 -3.385 373 1HB LYS 51 HB2 LYS 51 -9.585 -4.918 -1.535 374 2HB LYS 51 HB1 LYS 51 -8.429 -3.790 -0.829 375 1HG LYS 51 HG2 LYS 51 -9.537 -2.261 -2.104 376 2HG LYS 51 HG1 LYS 51 -8.495 -2.876 -3.388 377 1HD LYS 51 HD2 LYS 51 -10.771 -2.903 -4.210 378 2HD LYS 51 HD1 LYS 51 -10.284 -4.573 -3.918 379 1HE LYS 51 HE2 LYS 51 -12.012 -4.833 -2.475 380 2HE LYS 51 HE1 LYS 51 -11.406 -3.493 -1.484 381 1HZ LYS 51 HZ1 LYS 51 -12.385 -1.960 -3.152 382 2HZ LYS 51 HZ2 LYS 51 -13.546 -2.882 -2.322 383 3HZ LYS 51 HZ3 LYS 51 -13.109 -3.293 -3.911 384 H THR 52 HN THR 52 -5.151 -4.987 -3.109 385 HA THR 52 HA THR 52 -4.083 -4.305 -0.445 386 HB THR 52 HB THR 52 -3.566 -6.995 -1.754 387 HG1 THR 52 HG1 THR 52 -4.830 -7.803 -0.148 388 1HG2 THR 52 HG21 THR 52 -1.755 -5.760 -0.291 389 2HG2 THR 52 HG22 THR 52 -2.087 -7.471 -0.023 390 3HG2 THR 52 HG23 THR 52 -2.789 -6.259 1.047 391 H PHE 53 HN PHE 53 -2.790 -2.641 -1.280 392 HA PHE 53 HA PHE 53 -1.332 -2.754 -3.768 393 1HB PHE 53 HB2 PHE 53 -0.937 -1.157 -1.210 394 2HB PHE 53 HB1 PHE 53 -0.125 -0.805 -2.733 395 HD1 PHE 53 HD1 PHE 53 -1.494 -0.190 -4.756 396 HD2 PHE 53 HD2 PHE 53 -3.186 -0.499 -0.823 397 HE1 PHE 53 HE1 PHE 53 -3.464 1.120 -5.503 398 HE2 PHE 53 HE2 PHE 53 -5.160 0.809 -1.565 399 HZ PHE 53 HZ PHE 53 -5.296 1.621 -3.908 400 H THR 54 HN THR 54 0.552 -3.888 -4.181 401 HA THR 54 HA THR 54 2.083 -4.890 -1.792 402 HB THR 54 HB THR 54 1.678 -6.125 -4.528 403 HG1 THR 54 HG1 THR 54 0.561 -6.729 -1.996 404 1HG2 THR 54 HG21 THR 54 3.730 -6.606 -2.773 405 2HG2 THR 54 HG22 THR 54 3.099 -7.788 -3.919 406 3HG2 THR 54 HG23 THR 54 2.529 -7.788 -2.251 407 H VAL 55 HN VAL 55 3.864 -3.449 -1.701 408 HA VAL 55 HA VAL 55 5.402 -3.040 -4.194 409 HB VAL 55 HB VAL 55 4.614 -1.021 -2.904 410 1HG1 VAL 55 HG11 VAL 55 4.916 -2.115 -0.647 411 2HG1 VAL 55 HG12 VAL 55 5.584 -0.483 -0.778 412 3HG1 VAL 55 HG13 VAL 55 6.654 -1.891 -0.867 413 1HG2 VAL 55 HG21 VAL 55 7.619 -1.320 -2.892 414 2HG2 VAL 55 HG22 VAL 55 6.693 0.166 -3.097 415 3HG2 VAL 55 HG23 VAL 55 6.677 -1.064 -4.361 416 H THR 56 HN THR 56 7.822 -3.064 -3.864 417 HA THR 56 HA THR 56 8.914 -4.585 -1.607 418 HB THR 56 HB THR 56 8.661 -5.719 -4.409 419 HG1 THR 56 HG1 THR 56 6.956 -6.602 -3.616 420 1HG2 THR 56 HG21 THR 56 10.827 -6.322 -3.420 421 2HG2 THR 56 HG22 THR 56 9.768 -7.732 -3.467 422 3HG2 THR 56 HG23 THR 56 10.018 -6.867 -1.950 423 H GLU 57 HN GLU 57 10.822 -3.462 -1.321 424 HA GLU 57 HA GLU 57 12.122 -1.960 -3.445 425 1HB GLU 57 HB2 GLU 57 12.374 -2.468 -0.559 426 2HB GLU 57 HB1 GLU 57 13.928 -2.235 -1.355 427 1HG GLU 57 HG2 GLU 57 11.780 -0.334 -2.123 428 2HG GLU 57 HG1 GLU 57 12.396 -0.180 -0.478 Start of MODEL 40 1 1H MET 1 HT1 MET 1 17.581 -2.484 3.358 2 2H MET 1 HT2 MET 1 17.060 -0.870 3.457 3 3H MET 1 HT3 MET 1 17.276 -1.605 1.940 4 HA MET 1 HA MET 1 15.424 -3.066 2.291 5 1HB MET 1 HB2 MET 1 15.980 -2.105 5.045 6 2HB MET 1 HB1 MET 1 14.279 -2.374 4.662 7 1HG MET 1 HG2 MET 1 16.418 -4.426 4.064 8 2HG MET 1 HG1 MET 1 15.539 -4.391 5.593 9 1HE MET 1 HE1 MET 1 14.371 -7.160 2.742 10 2HE MET 1 HE2 MET 1 15.583 -6.889 3.991 11 3HE MET 1 HE3 MET 1 15.759 -6.112 2.420 12 H THR 2 HN THR 2 13.889 -2.128 1.017 13 HA THR 2 HA THR 2 13.384 0.768 1.121 14 HB THR 2 HB THR 2 12.164 -1.473 -0.525 15 HG1 THR 2 HG1 THR 2 14.400 -1.301 -0.806 16 1HG2 THR 2 HG21 THR 2 11.601 0.354 -2.094 17 2HG2 THR 2 HG22 THR 2 12.241 1.528 -0.943 18 3HG2 THR 2 HG23 THR 2 10.812 0.578 -0.530 19 H THR 3 HN THR 3 12.005 1.483 2.704 20 HA THR 3 HA THR 3 9.817 -0.216 3.670 21 HB THR 3 HB THR 3 10.570 2.565 4.564 22 HG1 THR 3 HG1 THR 3 12.394 1.787 5.194 23 1HG2 THR 3 HG21 THR 3 9.000 0.272 5.622 24 2HG2 THR 3 HG22 THR 3 8.739 2.004 5.826 25 3HG2 THR 3 HG23 THR 3 9.963 1.177 6.790 26 H PHE 4 HN PHE 4 8.092 -0.126 2.211 27 HA PHE 4 HA PHE 4 7.340 2.388 0.878 28 1HB PHE 4 HB2 PHE 4 6.250 -0.434 0.984 29 2HB PHE 4 HB1 PHE 4 5.498 0.837 0.023 30 HD1 PHE 4 HD1 PHE 4 6.734 1.865 -1.875 31 HD2 PHE 4 HD2 PHE 4 8.324 -1.447 0.350 32 HE1 PHE 4 HE1 PHE 4 8.371 1.429 -3.689 33 HE2 PHE 4 HE2 PHE 4 9.959 -1.880 -1.460 34 HZ PHE 4 HZ PHE 4 9.981 -0.444 -3.478 35 H LYS 5 HN LYS 5 4.773 2.768 0.957 36 HA LYS 5 HA LYS 5 3.717 2.450 3.727 37 1HB LYS 5 HB2 LYS 5 5.121 4.633 3.158 38 2HB LYS 5 HB1 LYS 5 3.608 5.140 2.406 39 1HG LYS 5 HG2 LYS 5 2.410 4.981 4.452 40 2HG LYS 5 HG1 LYS 5 3.696 4.051 5.223 41 1HD LYS 5 HD2 LYS 5 4.466 6.727 4.186 42 2HD LYS 5 HD1 LYS 5 3.389 6.718 5.583 43 1HE LYS 5 HE2 LYS 5 4.956 5.607 6.945 44 2HE LYS 5 HE1 LYS 5 5.859 4.979 5.552 45 1HZ LYS 5 HZ1 LYS 5 6.499 7.214 4.966 46 2HZ LYS 5 HZ2 LYS 5 6.960 6.910 6.572 47 3HZ LYS 5 HZ3 LYS 5 5.588 7.858 6.244 48 H LEU 6 HN LEU 6 1.771 1.462 3.298 49 HA LEU 6 HA LEU 6 0.238 2.137 0.851 50 1HB LEU 6 HB2 LEU 6 0.761 -0.183 2.042 51 2HB LEU 6 HB1 LEU 6 -0.630 0.247 3.021 52 HG LEU 6 HG LEU 6 -0.516 -0.772 0.266 53 1HD1 LEU 6 HD11 LEU 6 -2.462 -0.626 2.544 54 2HD1 LEU 6 HD12 LEU 6 -1.774 -2.040 1.745 55 3HD1 LEU 6 HD13 LEU 6 -3.033 -1.101 0.944 56 1HD2 LEU 6 HD21 LEU 6 -2.601 0.515 -0.453 57 2HD2 LEU 6 HD22 LEU 6 -1.097 1.432 -0.503 58 3HD2 LEU 6 HD23 LEU 6 -2.230 1.672 0.827 59 H ILE 7 HN ILE 7 -1.056 3.972 1.073 60 HA ILE 7 HA ILE 7 -2.020 4.967 3.597 61 HB ILE 7 HB ILE 7 -1.697 5.999 1.146 62 1HG1 ILE 7 HG12 ILE 7 -3.993 7.035 2.785 63 2HG1 ILE 7 HG11 ILE 7 -2.346 7.059 3.416 64 1HG2 ILE 7 HG21 ILE 7 -4.694 5.780 1.150 65 2HG2 ILE 7 HG22 ILE 7 -3.725 4.528 0.375 66 3HG2 ILE 7 HG23 ILE 7 -3.610 6.198 -0.176 67 1HD1 ILE 7 HD11 ILE 7 -2.563 9.160 2.365 68 2HD1 ILE 7 HD12 ILE 7 -3.447 8.482 0.998 69 3HD1 ILE 7 HD13 ILE 7 -1.717 8.179 1.167 70 H ILE 8 HN ILE 8 -4.568 5.212 3.897 71 HA ILE 8 HA ILE 8 -5.899 2.641 3.129 72 HB ILE 8 HB ILE 8 -5.817 3.948 5.866 73 1HG1 ILE 8 HG12 ILE 8 -4.600 1.336 4.911 74 2HG1 ILE 8 HG11 ILE 8 -3.689 2.825 5.159 75 1HG2 ILE 8 HG21 ILE 8 -6.897 1.216 5.183 76 2HG2 ILE 8 HG22 ILE 8 -7.925 2.647 5.119 77 3HG2 ILE 8 HG23 ILE 8 -7.171 2.171 6.640 78 1HD1 ILE 8 HD11 ILE 8 -3.451 1.495 7.157 79 2HD1 ILE 8 HD12 ILE 8 -5.193 1.235 7.252 80 3HD1 ILE 8 HD13 ILE 8 -4.523 2.841 7.541 81 H ASN 9 HN ASN 9 -6.877 4.281 1.533 82 HA ASN 9 HA ASN 9 -8.904 6.078 2.775 83 1HB ASN 9 HB2 ASN 9 -7.296 5.981 0.360 84 2HB ASN 9 HB1 ASN 9 -8.999 6.148 -0.061 85 1HD2 ASN 9 HD21 ASN 9 -6.705 8.181 -0.109 86 2HD2 ASN 9 HD22 ASN 9 -7.294 9.496 0.789 87 H GLY 10 HN GLY 10 -9.461 3.451 3.273 88 1HA GLY 10 HA2 GLY 10 -11.509 2.662 1.246 89 2HA GLY 10 HA1 GLY 10 -10.736 1.545 2.375 90 H LYS 11 HN LYS 11 -13.536 1.772 2.121 91 HA LYS 11 HA LYS 11 -14.612 3.436 4.270 92 1HB LYS 11 HB2 LYS 11 -15.726 1.133 2.635 93 2HB LYS 11 HB1 LYS 11 -16.689 2.173 3.685 94 1HG LYS 11 HG2 LYS 11 -15.741 4.140 2.327 95 2HG LYS 11 HG1 LYS 11 -15.211 2.928 1.161 96 1HD LYS 11 HD2 LYS 11 -18.068 3.167 2.138 97 2HD LYS 11 HD1 LYS 11 -17.477 3.926 0.660 98 1HE LYS 11 HE2 LYS 11 -16.935 1.002 1.041 99 2HE LYS 11 HE1 LYS 11 -18.572 1.503 0.571 100 1HZ LYS 11 HZ1 LYS 11 -16.040 2.280 -0.779 101 2HZ LYS 11 HZ2 LYS 11 -17.580 2.873 -1.186 102 3HZ LYS 11 HZ3 LYS 11 -17.217 1.226 -1.395 103 H THR 12 HN THR 12 -12.895 0.480 4.243 104 HA THR 12 HA THR 12 -14.289 -0.588 6.636 105 HB THR 12 HB THR 12 -13.779 -2.064 4.734 106 HG1 THR 12 HG1 THR 12 -13.354 -3.581 6.106 107 1HG2 THR 12 HG21 THR 12 -11.861 -1.125 3.725 108 2HG2 THR 12 HG22 THR 12 -11.283 -2.633 4.430 109 3HG2 THR 12 HG23 THR 12 -10.967 -1.103 5.243 110 H LEU 13 HN LEU 13 -11.311 1.024 5.688 111 HA LEU 13 HA LEU 13 -10.560 1.220 8.562 112 1HB LEU 13 HB2 LEU 13 -9.567 -0.804 7.067 113 2HB LEU 13 HB1 LEU 13 -8.385 0.447 6.689 114 HG LEU 13 HG LEU 13 -8.243 0.854 9.220 115 1HD1 LEU 13 HD11 LEU 13 -10.362 -0.462 9.666 116 2HD1 LEU 13 HD12 LEU 13 -8.987 -0.920 10.671 117 3HD1 LEU 13 HD13 LEU 13 -9.449 -1.925 9.297 118 1HD2 LEU 13 HD21 LEU 13 -6.843 -1.324 9.492 119 2HD2 LEU 13 HD22 LEU 13 -6.371 -0.186 8.230 120 3HD2 LEU 13 HD23 LEU 13 -7.284 -1.636 7.812 121 H LYS 14 HN LYS 14 -8.758 2.817 8.863 122 HA LYS 14 HA LYS 14 -8.294 4.673 6.586 123 1HB LYS 14 HB2 LYS 14 -10.427 5.176 7.975 124 2HB LYS 14 HB1 LYS 14 -9.309 5.669 9.247 125 1HG LYS 14 HG2 LYS 14 -8.926 6.751 6.475 126 2HG LYS 14 HG1 LYS 14 -10.184 7.443 7.499 127 1HD LYS 14 HD2 LYS 14 -8.176 7.412 9.285 128 2HD LYS 14 HD1 LYS 14 -7.223 7.546 7.807 129 1HE LYS 14 HE2 LYS 14 -7.977 9.672 7.358 130 2HE LYS 14 HE1 LYS 14 -9.594 9.342 8.013 131 1HZ LYS 14 HZ1 LYS 14 -7.105 9.632 9.613 132 2HZ LYS 14 HZ2 LYS 14 -8.648 9.290 10.237 133 3HZ LYS 14 HZ3 LYS 14 -8.340 10.789 9.499 134 H GLY 15 HN GLY 15 -6.281 5.683 6.745 135 1HA GLY 15 HA2 GLY 15 -4.667 6.681 8.505 136 2HA GLY 15 HA1 GLY 15 -4.675 5.051 9.180 137 H GLU 16 HN GLU 16 -2.496 4.572 8.760 138 HA GLU 16 HA GLU 16 -1.836 4.114 5.884 139 1HB GLU 16 HB2 GLU 16 -0.387 5.786 7.933 140 2HB GLU 16 HB1 GLU 16 0.497 5.055 6.592 141 1HG GLU 16 HG2 GLU 16 -0.787 6.236 4.968 142 2HG GLU 16 HG1 GLU 16 -1.993 6.715 6.163 143 H THR 17 HN THR 17 0.238 2.745 5.753 144 HA THR 17 HA THR 17 0.677 1.025 8.150 145 HB THR 17 HB THR 17 0.111 -0.096 5.397 146 HG1 THR 17 HG1 THR 17 -1.902 0.313 5.731 147 1HG2 THR 17 HG21 THR 17 -0.098 -1.296 8.172 148 2HG2 THR 17 HG22 THR 17 1.272 -1.519 7.084 149 3HG2 THR 17 HG23 THR 17 -0.317 -2.147 6.643 150 H THR 18 HN THR 18 2.653 -0.319 7.894 151 HA THR 18 HA THR 18 4.495 0.514 5.701 152 HB THR 18 HB THR 18 6.218 0.855 7.598 153 HG1 THR 18 HG1 THR 18 5.498 0.755 9.560 154 1HG2 THR 18 HG21 THR 18 5.292 2.716 6.304 155 2HG2 THR 18 HG22 THR 18 5.425 3.169 8.003 156 3HG2 THR 18 HG23 THR 18 3.855 2.733 7.327 157 H THR 19 HN THR 19 6.184 -1.017 5.331 158 HA THR 19 HA THR 19 6.408 -3.405 7.051 159 HB THR 19 HB THR 19 4.439 -3.850 5.634 160 HG1 THR 19 HG1 THR 19 5.129 -5.800 4.971 161 1HG2 THR 19 HG21 THR 19 6.101 -3.864 3.157 162 2HG2 THR 19 HG22 THR 19 5.561 -2.298 3.760 163 3HG2 THR 19 HG23 THR 19 4.378 -3.540 3.353 164 H GLU 20 HN GLU 20 8.183 -4.855 6.220 165 HA GLU 20 HA GLU 20 10.339 -3.225 4.985 166 1HB GLU 20 HB2 GLU 20 10.113 -5.753 6.605 167 2HB GLU 20 HB1 GLU 20 11.603 -5.407 5.727 168 1HG GLU 20 HG2 GLU 20 11.802 -3.245 6.871 169 2HG GLU 20 HG1 GLU 20 10.285 -3.539 7.720 170 H ALA 21 HN ALA 21 10.318 -3.332 2.764 171 HA ALA 21 HA ALA 21 10.178 -6.046 1.500 172 1HB ALA 21 HB1 ALA 21 8.464 -5.364 0.130 173 2HB ALA 21 HB2 ALA 21 9.073 -3.711 0.029 174 3HB ALA 21 HB3 ALA 21 8.154 -4.229 1.443 175 H VAL 22 HN VAL 22 11.649 -6.315 -0.214 176 HA VAL 22 HA VAL 22 13.981 -4.725 -0.366 177 HB VAL 22 HB VAL 22 14.380 -6.066 -2.407 178 1HG1 VAL 22 HG11 VAL 22 12.963 -7.906 -0.519 179 2HG1 VAL 22 HG12 VAL 22 14.363 -6.995 0.047 180 3HG1 VAL 22 HG13 VAL 22 14.526 -8.111 -1.309 181 1HG2 VAL 22 HG21 VAL 22 12.467 -7.745 -2.948 182 2HG2 VAL 22 HG22 VAL 22 12.339 -6.104 -3.577 183 3HG2 VAL 22 HG23 VAL 22 11.425 -6.572 -2.146 184 H ASP 23 HN ASP 23 11.004 -4.633 -2.308 185 HA ASP 23 HA ASP 23 11.322 -1.839 -2.982 186 1HB ASP 23 HB2 ASP 23 12.907 -3.567 -4.445 187 2HB ASP 23 HB1 ASP 23 11.487 -3.402 -5.478 188 H ALA 24 HN ALA 24 9.777 -1.602 -5.201 189 HA ALA 24 HA ALA 24 7.133 -2.047 -4.357 190 1HB ALA 24 HB1 ALA 24 6.927 -1.906 -7.074 191 2HB ALA 24 HB2 ALA 24 8.568 -1.307 -6.835 192 3HB ALA 24 HB3 ALA 24 7.212 -0.506 -6.042 193 H ALA 25 HN ALA 25 9.333 -4.257 -5.932 194 HA ALA 25 HA ALA 25 7.474 -6.063 -7.141 195 1HB ALA 25 HB1 ALA 25 10.021 -6.974 -5.836 196 2HB ALA 25 HB2 ALA 25 10.108 -5.816 -7.163 197 3HB ALA 25 HB3 ALA 25 9.370 -7.398 -7.419 198 H THR 26 HN THR 26 8.495 -5.647 -3.797 199 HA THR 26 HA THR 26 6.877 -8.052 -3.018 200 HB THR 26 HB THR 26 9.045 -6.597 -1.476 201 HG1 THR 26 HG1 THR 26 10.001 -7.437 -3.272 202 1HG2 THR 26 HG21 THR 26 7.218 -8.271 -0.475 203 2HG2 THR 26 HG22 THR 26 8.891 -8.286 0.081 204 3HG2 THR 26 HG23 THR 26 8.345 -9.472 -1.105 205 H ALA 27 HN ALA 27 7.313 -4.599 -2.575 206 HA ALA 27 HA ALA 27 5.868 -4.168 -0.166 207 1HB ALA 27 HB1 ALA 27 7.241 -2.638 -1.842 208 2HB ALA 27 HB2 ALA 27 5.989 -1.935 -0.817 209 3HB ALA 27 HB3 ALA 27 5.642 -2.308 -2.505 210 H GLU 28 HN GLU 28 4.580 -3.712 -3.488 211 HA GLU 28 HA GLU 28 1.833 -3.500 -2.769 212 1HB GLU 28 HB2 GLU 28 3.330 -3.299 -5.034 213 2HB GLU 28 HB1 GLU 28 2.535 -4.847 -5.323 214 1HG GLU 28 HG2 GLU 28 0.400 -3.473 -4.482 215 2HG GLU 28 HG1 GLU 28 1.347 -2.119 -5.100 216 H LYS 29 HN LYS 29 3.708 -6.397 -3.739 217 HA LYS 29 HA LYS 29 1.644 -8.317 -3.751 218 1HB LYS 29 HB2 LYS 29 4.529 -8.497 -2.824 219 2HB LYS 29 HB1 LYS 29 3.518 -9.893 -3.198 220 1HG LYS 29 HG2 LYS 29 3.117 -8.632 -5.474 221 2HG LYS 29 HG1 LYS 29 4.616 -7.803 -5.052 222 1HD LYS 29 HD2 LYS 29 5.794 -9.927 -4.868 223 2HD LYS 29 HD1 LYS 29 4.296 -10.816 -5.145 224 1HE LYS 29 HE2 LYS 29 4.148 -9.527 -7.382 225 2HE LYS 29 HE1 LYS 29 5.857 -9.129 -7.109 226 1HZ LYS 29 HZ1 LYS 29 4.672 -11.856 -7.109 227 2HZ LYS 29 HZ2 LYS 29 6.294 -11.495 -6.752 228 3HZ LYS 29 HZ3 LYS 29 5.680 -11.209 -8.310 229 H VAL 30 HN VAL 30 3.577 -7.178 -0.969 230 HA VAL 30 HA VAL 30 2.164 -8.874 0.953 231 HB VAL 30 HB VAL 30 4.057 -6.505 1.196 232 1HG1 VAL 30 HG11 VAL 30 2.910 -8.390 3.264 233 2HG1 VAL 30 HG12 VAL 30 2.937 -6.625 3.291 234 3HG1 VAL 30 HG13 VAL 30 4.431 -7.535 3.526 235 1HG2 VAL 30 HG21 VAL 30 4.980 -8.520 0.076 236 2HG2 VAL 30 HG22 VAL 30 4.518 -9.492 1.473 237 3HG2 VAL 30 HG23 VAL 30 5.744 -8.236 1.641 238 H PHE 31 HN PHE 31 2.223 -5.357 0.255 239 HA PHE 31 HA PHE 31 0.233 -4.614 2.164 240 1HB PHE 31 HB2 PHE 31 1.461 -3.477 -0.315 241 2HB PHE 31 HB1 PHE 31 0.001 -2.703 0.297 242 HD1 PHE 31 HD1 PHE 31 0.227 -2.901 3.192 243 HD2 PHE 31 HD2 PHE 31 3.292 -2.150 0.278 244 HE1 PHE 31 HE1 PHE 31 1.569 -1.720 4.909 245 HE2 PHE 31 HE2 PHE 31 4.634 -0.972 1.998 246 HZ PHE 31 HZ PHE 31 3.774 -0.757 4.312 247 H LYS 32 HN LYS 32 -0.030 -5.887 -1.125 248 HA LYS 32 HA LYS 32 -2.801 -5.261 -1.555 249 1HB LYS 32 HB2 LYS 32 -0.783 -7.207 -2.631 250 2HB LYS 32 HB1 LYS 32 -2.477 -7.431 -3.059 251 1HG LYS 32 HG2 LYS 32 -2.545 -5.028 -3.794 252 2HG LYS 32 HG1 LYS 32 -0.803 -4.950 -3.536 253 1HD LYS 32 HD2 LYS 32 -0.898 -5.492 -5.799 254 2HD LYS 32 HD1 LYS 32 -0.778 -7.094 -5.068 255 1HE LYS 32 HE2 LYS 32 -3.037 -7.584 -5.447 256 2HE LYS 32 HE1 LYS 32 -3.493 -5.870 -5.536 257 1HZ LYS 32 HZ1 LYS 32 -1.752 -7.293 -7.481 258 2HZ LYS 32 HZ2 LYS 32 -2.197 -5.655 -7.558 259 3HZ LYS 32 HZ3 LYS 32 -3.371 -6.867 -7.749 260 H GLN 33 HN GLN 33 -1.117 -8.012 -0.068 261 HA GLN 33 HA GLN 33 -3.375 -9.704 0.381 262 1HB GLN 33 HB2 GLN 33 -0.880 -10.202 0.568 263 2HB GLN 33 HB1 GLN 33 -0.928 -9.395 2.135 264 1HG GLN 33 HG2 GLN 33 -1.221 -11.727 2.587 265 2HG GLN 33 HG1 GLN 33 -2.818 -10.995 2.755 266 1HE2 GLN 33 HE21 GLN 33 -4.462 -11.629 1.262 267 2HE2 GLN 33 HE22 GLN 33 -4.215 -12.794 0.052 268 H TYR 34 HN TYR 34 -2.130 -6.932 2.073 269 HA TYR 34 HA TYR 34 -3.706 -7.239 4.499 270 1HB TYR 34 HB2 TYR 34 -1.787 -5.938 4.764 271 2HB TYR 34 HB1 TYR 34 -1.936 -5.205 3.173 272 HD1 TYR 34 HD1 TYR 34 -3.249 -5.175 6.640 273 HD2 TYR 34 HD2 TYR 34 -3.106 -3.140 2.867 274 HE1 TYR 34 HE1 TYR 34 -4.291 -3.173 7.682 275 HE2 TYR 34 HE2 TYR 34 -4.145 -1.138 3.896 276 HH TYR 34 HH TYR 34 -5.812 -0.965 6.295 277 H ALA 35 HN ALA 35 -3.953 -5.021 1.693 278 HA ALA 35 HA ALA 35 -6.513 -3.927 2.375 279 1HB ALA 35 HB1 ALA 35 -4.668 -4.057 0.053 280 2HB ALA 35 HB2 ALA 35 -5.460 -2.656 0.780 281 3HB ALA 35 HB3 ALA 35 -6.351 -3.694 -0.333 282 H ASN 36 HN ASN 36 -5.629 -6.539 0.085 283 HA ASN 36 HA ASN 36 -8.204 -7.218 -0.826 284 1HB ASN 36 HB2 ASN 36 -5.823 -8.016 -1.491 285 2HB ASN 36 HB1 ASN 36 -6.048 -9.244 -0.244 286 1HD2 ASN 36 HD21 ASN 36 -7.952 -10.730 -0.521 287 2HD2 ASN 36 HD22 ASN 36 -8.559 -11.020 -2.079 288 H ASP 37 HN ASP 37 -6.615 -7.983 2.213 289 HA ASP 37 HA ASP 37 -8.550 -10.033 3.018 290 1HB ASP 37 HB2 ASP 37 -6.163 -8.613 4.134 291 2HB ASP 37 HB1 ASP 37 -7.250 -9.411 5.272 292 H ASN 38 HN ASN 38 -7.979 -6.588 3.701 293 HA ASN 38 HA ASN 38 -10.173 -6.404 5.637 294 1HB ASN 38 HB2 ASN 38 -8.082 -4.684 4.408 295 2HB ASN 38 HB1 ASN 38 -9.531 -3.851 4.972 296 1HD2 ASN 38 HD21 ASN 38 -7.465 -6.553 6.210 297 2HD2 ASN 38 HD22 ASN 38 -7.370 -5.944 7.791 298 H GLY 39 HN GLY 39 -9.666 -5.681 2.206 299 1HA GLY 39 HA2 GLY 39 -11.634 -5.894 0.704 300 2HA GLY 39 HA1 GLY 39 -12.597 -5.134 1.971 301 H ILE 40 HN ILE 40 -9.431 -4.260 0.540 302 HA ILE 40 HA ILE 40 -10.572 -1.541 -0.011 303 HB ILE 40 HB ILE 40 -7.755 -2.467 0.645 304 1HG1 ILE 40 HG12 ILE 40 -9.722 -0.762 2.206 305 2HG1 ILE 40 HG11 ILE 40 -9.393 -2.463 2.530 306 1HG2 ILE 40 HG21 ILE 40 -8.883 0.182 -0.227 307 2HG2 ILE 40 HG22 ILE 40 -7.362 -0.582 -0.700 308 3HG2 ILE 40 HG23 ILE 40 -7.526 0.151 0.898 309 1HD1 ILE 40 HD11 ILE 40 -6.937 -0.880 2.375 310 2HD1 ILE 40 HD12 ILE 40 -7.487 -1.976 3.642 311 3HD1 ILE 40 HD13 ILE 40 -8.032 -0.299 3.630 312 H ASP 41 HN ASP 41 -11.252 -2.863 -2.084 313 HA ASP 41 HA ASP 41 -9.046 -3.198 -4.041 314 1HB ASP 41 HB2 ASP 41 -10.895 -4.087 -5.450 315 2HB ASP 41 HB1 ASP 41 -10.863 -4.866 -3.869 316 H GLY 42 HN GLY 42 -9.132 -0.593 -3.275 317 1HA GLY 42 HA2 GLY 42 -10.927 1.004 -4.926 318 2HA GLY 42 HA1 GLY 42 -9.621 1.609 -3.907 319 H GLU 43 HN GLU 43 -8.556 2.895 -5.329 320 HA GLU 43 HA GLU 43 -7.548 1.660 -7.823 321 1HB GLU 43 HB2 GLU 43 -7.472 3.975 -8.696 322 2HB GLU 43 HB1 GLU 43 -9.092 3.564 -8.140 323 1HG GLU 43 HG2 GLU 43 -7.829 4.605 -5.864 324 2HG GLU 43 HG1 GLU 43 -7.274 5.637 -7.178 325 H TRP 44 HN TRP 44 -5.509 0.962 -7.373 326 HA TRP 44 HA TRP 44 -3.867 2.183 -5.352 327 1HB TRP 44 HB2 TRP 44 -3.527 0.006 -7.396 328 2HB TRP 44 HB1 TRP 44 -2.205 0.490 -6.327 329 HD1 TRP 44 HD1 TRP 44 -5.881 -0.661 -6.099 330 HE1 TRP 44 HE1 TRP 44 -6.195 -1.904 -3.861 331 HE3 TRP 44 HE3 TRP 44 -1.233 -0.035 -4.083 332 HZ2 TRP 44 HZ2 TRP 44 -4.678 -2.533 -1.530 333 HZ3 TRP 44 HZ3 TRP 44 -0.695 -0.967 -1.850 334 HH2 TRP 44 HH2 TRP 44 -2.410 -2.224 -0.576 335 H THR 45 HN THR 45 -2.115 3.457 -5.555 336 HA THR 45 HA THR 45 -1.065 4.213 -8.220 337 HB THR 45 HB THR 45 -1.254 6.667 -7.239 338 HG1 THR 45 HG1 THR 45 -2.877 6.936 -5.829 339 1HG2 THR 45 HG21 THR 45 -2.985 7.003 -8.719 340 2HG2 THR 45 HG22 THR 45 -3.890 5.603 -8.143 341 3HG2 THR 45 HG23 THR 45 -2.508 5.379 -9.215 342 H TYR 46 HN TYR 46 1.131 4.430 -8.043 343 HA TYR 46 HA TYR 46 2.311 4.243 -5.317 344 1HB TYR 46 HB2 TYR 46 2.895 2.516 -6.896 345 2HB TYR 46 HB1 TYR 46 3.240 3.694 -8.156 346 HD1 TYR 46 HD1 TYR 46 5.407 4.570 -8.429 347 HD2 TYR 46 HD2 TYR 46 4.400 2.504 -4.800 348 HE1 TYR 46 HE1 TYR 46 7.790 4.593 -7.753 349 HE2 TYR 46 HE2 TYR 46 6.777 2.529 -4.124 350 HH TYR 46 HH TYR 46 9.289 3.313 -6.292 351 H ASP 47 HN ASP 47 3.448 5.944 -4.466 352 HA ASP 47 HA ASP 47 3.844 8.381 -6.142 353 1HB ASP 47 HB2 ASP 47 3.638 7.745 -3.199 354 2HB ASP 47 HB1 ASP 47 4.284 9.295 -3.738 355 H ASP 48 HN ASP 48 5.883 8.818 -6.857 356 HA ASP 48 HA ASP 48 8.171 7.210 -5.971 357 1HB ASP 48 HB2 ASP 48 7.590 8.014 -8.327 358 2HB ASP 48 HB1 ASP 48 8.117 9.616 -7.808 359 H ALA 49 HN ALA 49 6.809 10.301 -5.128 360 HA ALA 49 HA ALA 49 9.068 11.786 -4.345 361 1HB ALA 49 HB1 ALA 49 7.478 13.170 -3.416 362 2HB ALA 49 HB2 ALA 49 6.632 11.836 -2.633 363 3HB ALA 49 HB3 ALA 49 6.398 12.140 -4.355 364 H THR 50 HN THR 50 7.178 9.410 -2.454 365 HA THR 50 HA THR 50 9.548 8.981 -0.700 366 HB THR 50 HB THR 50 8.099 9.316 1.292 367 HG1 THR 50 HG1 THR 50 6.031 9.606 1.058 368 1HG2 THR 50 HG21 THR 50 8.040 11.713 1.204 369 2HG2 THR 50 HG22 THR 50 7.910 11.705 -0.555 370 3HG2 THR 50 HG23 THR 50 9.413 11.206 0.221 371 H LYS 51 HN LYS 51 7.822 7.431 -2.749 372 HA LYS 51 HA LYS 51 6.943 5.249 -2.983 373 1HB LYS 51 HB2 LYS 51 9.123 5.285 -1.030 374 2HB LYS 51 HB1 LYS 51 8.026 3.931 -0.764 375 1HG LYS 51 HG2 LYS 51 9.461 3.001 -2.331 376 2HG LYS 51 HG1 LYS 51 8.219 3.674 -3.389 377 1HD LYS 51 HD2 LYS 51 10.415 4.323 -4.238 378 2HD LYS 51 HD1 LYS 51 9.598 5.753 -3.607 379 1HE LYS 51 HE2 LYS 51 10.950 5.816 -1.666 380 2HE LYS 51 HE1 LYS 51 11.468 4.130 -1.870 381 1HZ LYS 51 HZ1 LYS 51 12.531 4.763 -3.960 382 2HZ LYS 51 HZ2 LYS 51 13.185 5.633 -2.655 383 3HZ LYS 51 HZ3 LYS 51 12.085 6.380 -3.713 384 H THR 52 HN THR 52 4.714 5.618 -2.546 385 HA THR 52 HA THR 52 3.790 4.596 0.078 386 HB THR 52 HB THR 52 3.054 7.317 -1.050 387 HG1 THR 52 HG1 THR 52 4.731 7.924 0.022 388 1HG2 THR 52 HG21 THR 52 2.391 6.579 1.738 389 2HG2 THR 52 HG22 THR 52 1.470 5.731 0.496 390 3HG2 THR 52 HG23 THR 52 1.449 7.493 0.561 391 H PHE 53 HN PHE 53 2.654 2.879 -0.888 392 HA PHE 53 HA PHE 53 1.134 3.002 -3.316 393 1HB PHE 53 HB2 PHE 53 0.992 1.289 -0.816 394 2HB PHE 53 HB1 PHE 53 0.021 0.960 -2.252 395 HD1 PHE 53 HD1 PHE 53 1.109 0.387 -4.397 396 HD2 PHE 53 HD2 PHE 53 3.349 0.859 -0.773 397 HE1 PHE 53 HE1 PHE 53 3.040 -0.768 -5.446 398 HE2 PHE 53 HE2 PHE 53 5.284 -0.296 -1.811 399 HZ PHE 53 HZ PHE 53 5.129 -1.109 -4.152 400 H THR 54 HN THR 54 -0.749 4.131 -3.675 401 HA THR 54 HA THR 54 -2.375 4.887 -1.260 402 HB THR 54 HB THR 54 -2.010 6.285 -3.922 403 HG1 THR 54 HG1 THR 54 -0.496 7.421 -2.947 404 1HG2 THR 54 HG21 THR 54 -3.485 7.877 -3.223 405 2HG2 THR 54 HG22 THR 54 -2.993 7.732 -1.536 406 3HG2 THR 54 HG23 THR 54 -4.120 6.567 -2.229 407 H VAL 55 HN VAL 55 -4.108 3.426 -1.236 408 HA VAL 55 HA VAL 55 -5.594 3.004 -3.760 409 HB VAL 55 HB VAL 55 -4.775 0.984 -2.504 410 1HG1 VAL 55 HG11 VAL 55 -6.839 1.720 -0.445 411 2HG1 VAL 55 HG12 VAL 55 -5.122 2.069 -0.227 412 3HG1 VAL 55 HG13 VAL 55 -5.669 0.395 -0.380 413 1HG2 VAL 55 HG21 VAL 55 -6.861 1.022 -3.944 414 2HG2 VAL 55 HG22 VAL 55 -7.782 1.179 -2.448 415 3HG2 VAL 55 HG23 VAL 55 -6.799 -0.257 -2.731 416 H THR 56 HN THR 56 -8.051 2.913 -3.404 417 HA THR 56 HA THR 56 -9.110 4.488 -1.154 418 HB THR 56 HB THR 56 -9.113 5.437 -4.034 419 HG1 THR 56 HG1 THR 56 -7.943 6.600 -1.734 420 1HG2 THR 56 HG21 THR 56 -10.022 7.559 -2.740 421 2HG2 THR 56 HG22 THR 56 -10.548 6.353 -1.566 422 3HG2 THR 56 HG23 THR 56 -11.127 6.275 -3.230 423 H GLU 57 HN GLU 57 -10.764 3.041 -0.690 424 HA GLU 57 HA GLU 57 -12.263 1.694 -2.844 425 1HB GLU 57 HB2 GLU 57 -11.478 1.044 -0.312 426 2HB GLU 57 HB1 GLU 57 -13.141 1.552 -0.014 427 1HG GLU 57 HG2 GLU 57 -13.563 0.033 -2.190 428 2HG GLU 57 HG1 GLU 57 -12.120 -0.773 -1.573
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