NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22657 | 2jq3 | 15268 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 1 HA SER 1 0.566 -27.190 12.303 2 HG SER 1 HG SER 1 0.060 -29.021 14.118 3 H1 SER 1 HT1 SER 1 2.107 -28.502 11.453 4 H2 SER 1 HT2 SER 1 2.845 -28.667 12.973 5 H3 SER 1 HT3 SER 1 3.322 -27.417 11.926 6 HB2 SER 1 HB2 SER 1 2.131 -27.280 14.895 7 HB3 SER 1 HB1 SER 1 0.413 -26.934 14.708 8 H GLU 2 HN GLU 2 0.248 -25.087 11.928 9 HA GLU 2 HA GLU 2 1.924 -23.036 13.049 10 HB2 GLU 2 HB2 GLU 2 2.663 -22.110 10.865 11 HB3 GLU 2 HB1 GLU 2 3.382 -23.683 11.214 12 HG2 GLU 2 HG2 GLU 2 1.682 -24.779 9.806 13 HG3 GLU 2 HG1 GLU 2 0.947 -23.215 9.464 14 H ALA 3 HN ALA 3 0.971 -21.018 12.941 15 HA ALA 3 HA ALA 3 -1.815 -20.913 12.592 16 HB1 ALA 3 HB3 ALA 3 -1.478 -18.430 12.846 17 HB2 ALA 3 HB1 ALA 3 0.260 -18.732 12.864 18 HB3 ALA 3 HB2 ALA 3 -0.763 -19.399 14.135 19 H GLU 4 HN GLU 4 -2.712 -21.180 10.700 20 HA GLU 4 HA GLU 4 -1.558 -20.533 8.193 21 HB2 GLU 4 HB2 GLU 4 -3.340 -22.245 8.532 22 HB3 GLU 4 HB1 GLU 4 -4.486 -20.941 8.852 23 HG2 GLU 4 HG2 GLU 4 -4.125 -20.022 6.622 24 HG3 GLU 4 HG1 GLU 4 -2.880 -21.225 6.294 25 H ASP 5 HN ASP 5 -3.159 -18.639 10.551 26 HA ASP 5 HA ASP 5 -4.366 -16.659 8.943 27 HB2 ASP 5 HB2 ASP 5 -3.227 -16.584 11.741 28 HB3 ASP 5 HB1 ASP 5 -4.026 -15.197 11.000 29 H ALA 6 HN ALA 6 -1.073 -17.018 10.182 30 HA ALA 6 HA ALA 6 -0.062 -14.533 9.548 31 HB1 ALA 6 HB3 ALA 6 2.094 -15.502 9.658 32 HB2 ALA 6 HB1 ALA 6 1.506 -17.075 9.118 33 HB3 ALA 6 HB2 ALA 6 1.107 -16.492 10.733 34 H SER 7 HN SER 7 0.124 -13.492 7.761 35 HA SER 7 HA SER 7 -0.506 -14.617 5.217 36 HG SER 7 HG SER 7 -1.782 -12.958 6.220 37 HB2 SER 7 HB2 SER 7 0.537 -11.913 6.069 38 HB3 SER 7 HB1 SER 7 0.194 -12.324 4.393 39 H LEU 8 HN LEU 8 0.995 -13.982 3.354 40 HA LEU 8 HA LEU 8 3.258 -15.608 3.360 41 HG LEU 8 HG LEU 8 2.302 -12.288 2.363 42 HB2 LEU 8 HB2 LEU 8 3.801 -14.607 1.222 43 HB3 LEU 8 HB1 LEU 8 2.062 -14.844 1.335 44 HD11 LEU 8 HD11 LEU 8 4.328 -12.523 0.114 45 HD12 LEU 8 HD12 LEU 8 4.729 -12.228 1.801 46 HD13 LEU 8 HD13 LEU 8 3.814 -11.029 0.894 47 HD21 LEU 8 HD23 LEU 8 1.572 -11.519 0.093 48 HD22 LEU 8 HD21 LEU 8 0.685 -12.936 0.656 49 HD23 LEU 8 HD22 LEU 8 1.970 -13.118 -0.537 50 H LEU 9 HN LEU 9 2.933 -12.830 5.111 51 HA LEU 9 HA LEU 9 5.565 -11.703 4.692 52 HG LEU 9 HG LEU 9 2.658 -10.735 4.537 53 HB2 LEU 9 HB2 LEU 9 3.494 -11.181 6.839 54 HB3 LEU 9 HB1 LEU 9 4.913 -10.192 6.498 55 HD11 LEU 9 HD11 LEU 9 3.334 -8.313 6.235 56 HD12 LEU 9 HD12 LEU 9 1.867 -9.291 6.311 57 HD13 LEU 9 HD13 LEU 9 2.184 -8.286 4.897 58 HD21 LEU 9 HD23 LEU 9 4.525 -10.296 3.187 59 HD22 LEU 9 HD21 LEU 9 5.270 -9.235 4.381 60 HD23 LEU 9 HD22 LEU 9 3.894 -8.672 3.433 61 H SER 10 HN SER 10 4.325 -14.370 6.261 62 HA SER 10 HA SER 10 5.751 -14.338 8.708 63 HG SER 10 HG SER 10 4.591 -16.278 9.951 64 HB2 SER 10 HB2 SER 10 3.829 -15.909 7.981 65 HB3 SER 10 HB1 SER 10 5.103 -16.887 7.259 66 H PHE 11 HN PHE 11 6.490 -16.345 5.889 67 HA PHE 11 HA PHE 11 8.940 -17.264 6.638 68 HD1 PHE 11 HD2 PHE 11 5.892 -17.452 4.359 69 HD2 PHE 11 HD1 PHE 11 9.635 -19.525 4.711 70 HE1 PHE 11 HE2 PHE 11 4.691 -19.622 4.339 71 HE2 PHE 11 HE1 PHE 11 8.438 -21.695 4.694 72 HZ PHE 11 HZ PHE 11 5.965 -21.744 4.506 73 HB2 PHE 11 HB2 PHE 11 8.059 -16.334 3.903 74 HB3 PHE 11 HB1 PHE 11 9.579 -17.181 4.188 75 H MET 12 HN MET 12 8.352 -14.147 4.998 76 HA MET 12 HA MET 12 11.038 -13.313 4.996 77 HB2 MET 12 HB2 MET 12 8.464 -11.743 4.919 78 HB3 MET 12 HB1 MET 12 10.053 -10.998 4.741 79 HG2 MET 12 HG2 MET 12 10.529 -12.427 2.799 80 HG3 MET 12 HG1 MET 12 8.974 -13.234 2.997 81 HE1 MET 12 HE3 MET 12 10.885 -10.131 2.625 82 HE2 MET 12 HE1 MET 12 9.607 -9.138 3.335 83 HE3 MET 12 HE2 MET 12 9.953 -9.034 1.610 84 H GLN 13 HN GLN 13 8.458 -12.011 7.059 85 HA GLN 13 HA GLN 13 9.768 -10.464 8.818 86 HB2 GLN 13 HB2 GLN 13 7.620 -12.503 9.362 87 HB3 GLN 13 HB1 GLN 13 8.272 -11.524 10.675 88 HG2 GLN 13 HG2 GLN 13 7.659 -9.475 9.524 89 HG3 GLN 13 HG1 GLN 13 7.146 -10.378 8.104 90 HE21 GLN 13 HE21 GLN 13 5.553 -8.609 10.042 91 HE22 GLN 13 HE22 GLN 13 4.267 -9.597 10.544 92 H GLY 14 HN GLY 14 9.615 -14.015 9.274 93 HA2 GLY 14 HA2 GLY 14 11.478 -14.040 11.425 94 HA3 GLY 14 HA1 GLY 14 10.943 -15.436 10.498 95 H TYR 15 HN TYR 15 11.804 -14.440 7.918 96 HA TYR 15 HA TYR 15 14.351 -15.491 7.754 97 HD1 TYR 15 HD2 TYR 15 14.537 -16.651 5.143 98 HD2 TYR 15 HD1 TYR 15 15.456 -12.459 5.300 99 HE1 TYR 15 HE2 TYR 15 16.565 -17.046 3.776 100 HE2 TYR 15 HE1 TYR 15 17.485 -12.851 3.927 101 HH TYR 15 HH TYR 15 19.041 -15.217 3.576 102 HB2 TYR 15 HB2 TYR 15 12.852 -14.976 5.805 103 HB3 TYR 15 HB1 TYR 15 13.289 -13.280 5.987 104 H MET 16 HN MET 16 13.702 -12.023 7.569 105 HA MET 16 HA MET 16 16.360 -11.248 7.905 106 HB2 MET 16 HB2 MET 16 13.827 -9.824 8.796 107 HB3 MET 16 HB1 MET 16 15.423 -9.075 8.737 108 HG2 MET 16 HG2 MET 16 15.542 -9.579 6.307 109 HG3 MET 16 HG1 MET 16 13.914 -10.250 6.385 110 HE1 MET 16 HE3 MET 16 11.542 -7.483 6.868 111 HE2 MET 16 HE1 MET 16 12.246 -8.164 8.339 112 HE3 MET 16 HE2 MET 16 11.929 -9.199 6.949 113 H LYS 17 HN LYS 17 13.946 -12.288 10.230 114 HA LYS 17 HA LYS 17 15.331 -11.377 12.537 115 HB2 LYS 17 HB2 LYS 17 12.894 -12.298 12.330 116 HB3 LYS 17 HB1 LYS 17 13.646 -13.873 12.558 117 HG2 LYS 17 HG2 LYS 17 14.604 -13.178 14.681 118 HG3 LYS 17 HG1 LYS 17 14.023 -11.529 14.445 119 HD2 LYS 17 HD2 LYS 17 11.703 -12.304 14.501 120 HD3 LYS 17 HD1 LYS 17 12.245 -13.976 14.658 121 HE2 LYS 17 HE2 LYS 17 11.653 -13.125 16.865 122 HE3 LYS 17 HE1 LYS 17 13.399 -13.358 16.786 123 HZ1 LYS 17 HZ3 LYS 17 12.346 -10.749 16.001 124 HZ2 LYS 17 HZ1 LYS 17 13.794 -11.138 16.795 125 HZ3 LYS 17 HZ2 LYS 17 12.330 -11.128 17.656 126 H HIS 18 HN HIS 18 15.318 -14.484 10.823 127 HA HIS 18 HA HIS 18 17.324 -15.662 12.506 128 HD1 HIS 18 HD1 HIS 18 18.650 -17.503 9.153 129 HD2 HIS 18 HD2 HIS 18 17.188 -18.910 12.795 130 HE1 HIS 18 HE1 HIS 18 20.109 -19.470 9.798 131 HB2 HIS 18 HB2 HIS 18 15.633 -17.021 11.346 132 HB3 HIS 18 HB1 HIS 18 16.315 -16.537 9.793 133 H ALA 19 HN ALA 19 17.373 -14.429 9.107 134 HA ALA 19 HA ALA 19 20.044 -15.047 8.602 135 HB1 ALA 19 HB3 ALA 19 19.895 -13.605 6.732 136 HB2 ALA 19 HB1 ALA 19 18.700 -12.579 7.525 137 HB3 ALA 19 HB2 ALA 19 18.252 -14.196 6.982 138 H THR 20 HN THR 20 18.750 -12.638 10.596 139 HA THR 20 HA THR 20 20.960 -10.833 10.581 140 HB THR 20 HB THR 20 18.848 -11.421 12.673 141 HG1 THR 20 HG1 THR 20 17.756 -9.938 11.659 142 HG21 THR 20 HG23 THR 20 20.653 -10.498 13.900 143 HG22 THR 20 HG21 THR 20 19.603 -9.127 13.544 144 HG23 THR 20 HG22 THR 20 21.070 -9.379 12.601 145 H LYS 21 HN LYS 21 20.464 -13.959 11.839 146 HA LYS 21 HA LYS 21 22.328 -13.889 14.001 147 HB2 LYS 21 HB2 LYS 21 21.253 -16.208 12.395 148 HB3 LYS 21 HB1 LYS 21 22.326 -16.386 13.781 149 HG2 LYS 21 HG2 LYS 21 20.711 -15.165 15.195 150 HG3 LYS 21 HG1 LYS 21 19.625 -15.013 13.815 151 HD2 LYS 21 HD2 LYS 21 19.420 -17.447 13.672 152 HD3 LYS 21 HD1 LYS 21 20.569 -17.640 14.997 153 HE2 LYS 21 HE2 LYS 21 18.274 -17.828 15.848 154 HE3 LYS 21 HE1 LYS 21 19.039 -16.371 16.484 155 HZ1 LYS 21 HZ3 LYS 21 17.978 -15.114 14.681 156 HZ2 LYS 21 HZ1 LYS 21 16.845 -15.847 15.711 157 HZ3 LYS 21 HZ2 LYS 21 17.167 -16.522 14.185 158 H THR 22 HN THR 22 22.588 -14.651 10.566 159 HA THR 22 HA THR 22 25.188 -15.702 10.573 160 HB THR 22 HB THR 22 23.941 -14.041 8.372 161 HG1 THR 22 HG1 THR 22 23.653 -16.766 9.099 162 HG21 THR 22 HG23 THR 22 26.054 -16.211 8.451 163 HG22 THR 22 HG21 THR 22 26.256 -14.540 7.924 164 HG23 THR 22 HG22 THR 22 25.286 -15.653 6.965 165 H ALA 23 HN ALA 23 24.196 -12.528 11.243 166 HA ALA 23 HA ALA 23 26.115 -10.861 10.238 167 HB1 ALA 23 HB3 ALA 23 25.102 -10.740 13.081 168 HB2 ALA 23 HB1 ALA 23 24.140 -10.244 11.689 169 HB3 ALA 23 HB2 ALA 23 25.639 -9.396 12.073 170 H LYS 24 HN LYS 24 26.314 -12.712 13.296 171 HA LYS 24 HA LYS 24 28.846 -11.968 14.140 172 HB2 LYS 24 HB2 LYS 24 27.219 -13.423 15.366 173 HB3 LYS 24 HB1 LYS 24 27.650 -14.745 14.287 174 HG2 LYS 24 HG2 LYS 24 29.956 -14.685 15.052 175 HG3 LYS 24 HG1 LYS 24 29.633 -13.253 16.026 176 HD2 LYS 24 HD2 LYS 24 29.541 -15.050 17.574 177 HD3 LYS 24 HD1 LYS 24 27.854 -14.682 17.229 178 HE2 LYS 24 HE2 LYS 24 27.683 -16.550 15.705 179 HE3 LYS 24 HE1 LYS 24 29.422 -16.837 15.780 180 HZ1 LYS 24 HZ3 LYS 24 29.243 -17.458 18.052 181 HZ2 LYS 24 HZ1 LYS 24 28.072 -18.336 17.194 182 HZ3 LYS 24 HZ2 LYS 24 27.612 -16.989 18.123 183 H ASP 25 HN ASP 25 28.314 -15.086 12.676 184 HA ASP 25 HA ASP 25 30.860 -15.747 11.953 185 HB2 ASP 25 HB2 ASP 25 28.291 -16.381 10.491 186 HB3 ASP 25 HB1 ASP 25 29.844 -17.076 10.033 187 H ALA 26 HN ALA 26 28.554 -13.799 10.100 188 HA ALA 26 HA ALA 26 30.280 -13.353 7.873 189 HB1 ALA 26 HB3 ALA 26 27.950 -12.963 7.545 190 HB2 ALA 26 HB1 ALA 26 28.720 -11.378 7.487 191 HB3 ALA 26 HB2 ALA 26 27.862 -11.889 8.940 192 H LEU 27 HN LEU 27 29.621 -11.614 10.911 193 HA LEU 27 HA LEU 27 31.155 -9.315 10.371 194 HG LEU 27 HG LEU 27 32.498 -9.055 13.217 195 HB2 LEU 27 HB2 LEU 27 29.631 -9.423 12.284 196 HB3 LEU 27 HB1 LEU 27 30.642 -10.652 13.034 197 HD11 LEU 27 HD11 LEU 27 30.611 -7.295 11.658 198 HD12 LEU 27 HD12 LEU 27 32.328 -7.591 11.386 199 HD13 LEU 27 HD13 LEU 27 31.815 -6.573 12.727 200 HD21 LEU 27 HD23 LEU 27 30.724 -9.182 14.985 201 HD22 LEU 27 HD21 LEU 27 29.917 -7.816 14.214 202 HD23 LEU 27 HD22 LEU 27 31.525 -7.612 14.911 203 H SER 28 HN SER 28 32.119 -12.318 11.910 204 HA SER 28 HA SER 28 34.785 -11.594 12.445 205 HG SER 28 HG SER 28 34.665 -13.709 14.285 206 HB2 SER 28 HB2 SER 28 33.530 -14.282 11.854 207 HB3 SER 28 HB1 SER 28 35.226 -14.090 12.289 208 H SER 29 HN SER 29 33.104 -12.551 9.592 209 HA SER 29 HA SER 29 35.447 -13.120 8.001 210 HG SER 29 HG SER 29 34.344 -12.617 5.311 211 HB2 SER 29 HB2 SER 29 33.054 -13.869 7.481 212 HB3 SER 29 HB1 SER 29 32.816 -12.248 6.830 213 H VAL 30 HN VAL 30 34.581 -10.269 9.349 214 HA VAL 30 HA VAL 30 34.665 -8.352 7.321 215 HB VAL 30 HB VAL 30 34.114 -7.781 9.623 216 HG11 VAL 30 HG11 VAL 30 35.754 -7.779 11.382 217 HG12 VAL 30 HG12 VAL 30 37.059 -8.131 10.250 218 HG13 VAL 30 HG13 VAL 30 35.847 -9.360 10.606 219 HG21 VAL 30 HG23 VAL 30 35.362 -6.143 7.921 220 HG22 VAL 30 HG21 VAL 30 36.647 -6.234 9.127 221 HG23 VAL 30 HG22 VAL 30 35.053 -5.642 9.583 222 H GLN 31 HN GLN 31 37.031 -10.579 7.806 223 HA GLN 31 HA GLN 31 39.504 -9.386 7.835 224 HB2 GLN 31 HB2 GLN 31 39.108 -11.829 7.610 225 HB3 GLN 31 HB1 GLN 31 38.649 -11.586 5.928 226 HG2 GLN 31 HG2 GLN 31 40.872 -10.783 5.383 227 HG3 GLN 31 HG1 GLN 31 41.345 -10.822 7.082 228 HE21 GLN 31 HE21 GLN 31 42.803 -12.355 5.157 229 HE22 GLN 31 HE22 GLN 31 42.500 -14.002 5.440 230 H GLU 32 HN GLU 32 37.071 -8.758 5.566 231 HA GLU 32 HA GLU 32 38.786 -7.977 3.397 232 HB2 GLU 32 HB2 GLU 32 35.884 -7.395 4.038 233 HB3 GLU 32 HB1 GLU 32 36.688 -6.844 2.567 234 HG2 GLU 32 HG2 GLU 32 37.190 -9.145 1.932 235 HG3 GLU 32 HG1 GLU 32 36.506 -9.740 3.445 236 H SER 33 HN SER 33 38.283 -6.793 6.453 237 HA SER 33 HA SER 33 38.104 -4.008 6.070 238 HG SER 33 HG SER 33 37.562 -4.125 9.349 239 HB2 SER 33 HB2 SER 33 38.815 -5.803 8.297 240 HB3 SER 33 HB1 SER 33 39.580 -4.220 8.379 241 H GLN 34 HN GLN 34 40.609 -6.234 5.439 242 HA GLN 34 HA GLN 34 42.891 -4.679 5.853 243 HB2 GLN 34 HB2 GLN 34 42.274 -6.715 3.704 244 HB3 GLN 34 HB1 GLN 34 43.873 -6.004 3.936 245 HG2 GLN 34 HG2 GLN 34 43.925 -6.827 6.249 246 HG3 GLN 34 HG1 GLN 34 42.304 -7.492 6.061 247 HE21 GLN 34 HE21 GLN 34 42.059 -9.459 4.842 248 HE22 GLN 34 HE22 GLN 34 43.394 -10.370 4.322 249 H VAL 35 HN VAL 35 40.273 -4.078 3.780 250 HA VAL 35 HA VAL 35 41.269 -2.898 1.527 251 HB VAL 35 HB VAL 35 38.853 -3.110 2.124 252 HG11 VAL 35 HG11 VAL 35 39.133 -2.144 4.434 253 HG12 VAL 35 HG12 VAL 35 37.798 -1.443 3.518 254 HG13 VAL 35 HG13 VAL 35 39.313 -0.557 3.689 255 HG21 VAL 35 HG23 VAL 35 38.168 -1.229 0.839 256 HG22 VAL 35 HG21 VAL 35 39.803 -1.584 0.284 257 HG23 VAL 35 HG22 VAL 35 39.521 -0.251 1.401 258 H ALA 36 HN ALA 36 42.139 -2.016 4.633 259 HA ALA 36 HA ALA 36 42.408 0.764 4.662 260 HB1 ALA 36 HB3 ALA 36 43.139 -0.673 6.535 261 HB2 ALA 36 HB1 ALA 36 44.440 0.407 6.031 262 HB3 ALA 36 HB2 ALA 36 44.462 -1.288 5.545 263 H GLN 37 HN GLN 37 44.982 -1.447 3.625 264 HA GLN 37 HA GLN 37 46.704 0.264 2.433 265 HB2 GLN 37 HB2 GLN 37 45.850 -2.433 1.351 266 HB3 GLN 37 HB1 GLN 37 47.224 -1.522 0.722 267 HG2 GLN 37 HG2 GLN 37 48.268 -1.524 2.951 268 HG3 GLN 37 HG1 GLN 37 46.880 -2.388 3.609 269 HE21 GLN 37 HE21 GLN 37 48.984 -3.867 4.090 270 HE22 GLN 37 HE22 GLN 37 49.256 -5.079 2.933 271 H GLN 38 HN GLN 38 43.629 -0.831 1.003 272 HA GLN 38 HA GLN 38 43.928 0.422 -1.516 273 HB2 GLN 38 HB2 GLN 38 42.070 -1.226 -0.599 274 HB3 GLN 38 HB1 GLN 38 41.261 0.256 -0.103 275 HG2 GLN 38 HG2 GLN 38 41.414 1.095 -2.432 276 HG3 GLN 38 HG1 GLN 38 42.122 -0.449 -2.914 277 HE21 GLN 38 HE21 GLN 38 40.597 -1.905 -3.698 278 HE22 GLN 38 HE22 GLN 38 38.967 -1.956 -3.228 279 H ALA 39 HN ALA 39 42.105 1.478 1.340 280 HA ALA 39 HA ALA 39 41.554 4.098 0.600 281 HB1 ALA 39 HB3 ALA 39 40.670 3.271 2.693 282 HB2 ALA 39 HB1 ALA 39 41.672 4.680 3.046 283 HB3 ALA 39 HB2 ALA 39 42.295 3.056 3.343 284 H ARG 40 HN ARG 40 44.374 2.971 2.457 285 HA ARG 40 HA ARG 40 45.843 5.358 2.324 286 HE ARG 40 HE ARG 40 47.831 2.259 5.436 287 HB2 ARG 40 HB2 ARG 40 46.302 3.267 3.748 288 HB3 ARG 40 HB1 ARG 40 47.097 2.610 2.320 289 HG2 ARG 40 HG2 ARG 40 48.636 4.533 2.282 290 HG3 ARG 40 HG1 ARG 40 47.834 5.209 3.703 291 HD2 ARG 40 HD2 ARG 40 49.233 2.516 3.595 292 HD3 ARG 40 HD1 ARG 40 49.890 3.976 4.329 293 HH11 ARG 40 HH21 ARG 40 49.263 5.412 5.382 294 HH12 ARG 40 HH22 ARG 40 48.756 5.818 6.988 295 HH21 ARG 40 HH11 ARG 40 47.182 2.779 7.547 296 HH22 ARG 40 HH12 ARG 40 47.578 4.329 8.213 297 H GLY 41 HN GLY 41 44.853 3.507 -0.052 298 HA2 GLY 41 HA2 GLY 41 47.077 3.754 -1.922 299 HA3 GLY 41 HA1 GLY 41 45.472 3.153 -2.327 300 H TRP 42 HN TRP 42 43.740 4.950 -1.914 301 HA TRP 42 HA TRP 42 43.792 6.785 -3.927 302 HD1 TRP 42 HD1 TRP 42 40.844 4.961 -1.412 303 HE1 TRP 42 HE1 TRP 42 39.313 3.931 -3.206 304 HE3 TRP 42 HE3 TRP 42 41.995 7.964 -5.384 305 HZ2 TRP 42 HZ2 TRP 42 38.657 4.324 -5.957 306 HZ3 TRP 42 HZ3 TRP 42 40.897 7.611 -7.578 307 HH2 TRP 42 HH2 TRP 42 39.231 5.797 -7.869 308 HB2 TRP 42 HB2 TRP 42 42.385 6.971 -1.258 309 HB3 TRP 42 HB1 TRP 42 42.175 8.201 -2.503 310 H VAL 43 HN VAL 43 45.648 7.015 -1.068 311 HA VAL 43 HA VAL 43 45.983 9.817 -0.867 312 HB VAL 43 HB VAL 43 46.737 8.019 0.788 313 HG11 VAL 43 HG11 VAL 43 48.843 6.969 0.476 314 HG12 VAL 43 HG12 VAL 43 49.250 8.012 -0.888 315 HG13 VAL 43 HG13 VAL 43 48.008 6.779 -1.060 316 HG21 VAL 43 HG23 VAL 43 48.624 10.241 -0.048 317 HG22 VAL 43 HG21 VAL 43 48.736 9.371 1.482 318 HG23 VAL 43 HG22 VAL 43 47.314 10.354 1.128 319 H THR 44 HN THR 44 47.835 7.376 -2.582 320 HA THR 44 HA THR 44 49.748 9.072 -3.749 321 HB THR 44 HB THR 44 50.051 7.259 -5.449 322 HG1 THR 44 HG1 THR 44 47.752 6.301 -4.118 323 HG21 THR 44 HG23 THR 44 50.898 5.655 -3.874 324 HG22 THR 44 HG21 THR 44 49.749 6.171 -2.639 325 HG23 THR 44 HG22 THR 44 51.064 7.242 -3.123 326 H ASP 45 HN ASP 45 46.545 8.074 -4.851 327 HA ASP 45 HA ASP 45 46.738 9.470 -7.346 328 HB2 ASP 45 HB2 ASP 45 44.429 8.263 -5.817 329 HB3 ASP 45 HB1 ASP 45 44.227 9.071 -7.371 330 H GLY 46 HN GLY 46 46.997 10.810 -4.524 331 HA2 GLY 46 HA2 GLY 46 46.597 12.943 -3.704 332 HA3 GLY 46 HA1 GLY 46 46.059 13.361 -5.327 333 H PHE 47 HN PHE 47 44.815 11.223 -2.708 334 HA PHE 47 HA PHE 47 42.118 11.423 -3.292 335 HD1 PHE 47 HD1 PHE 47 45.187 12.003 -0.897 336 HD2 PHE 47 HD2 PHE 47 41.387 11.382 1.012 337 HE1 PHE 47 HE1 PHE 47 46.009 13.178 1.126 338 HE2 PHE 47 HE2 PHE 47 42.210 12.564 3.032 339 HZ PHE 47 HZ PHE 47 44.521 13.461 3.087 340 HB2 PHE 47 HB2 PHE 47 41.722 10.562 -1.152 341 HB3 PHE 47 HB1 PHE 47 43.362 10.023 -1.487 342 H SER 48 HN SER 48 44.247 13.822 -2.019 343 HA SER 48 HA SER 48 42.667 15.459 -0.504 344 HG SER 48 HG SER 48 44.777 16.045 0.233 345 HB2 SER 48 HB2 SER 48 44.703 16.244 -2.593 346 HB3 SER 48 HB1 SER 48 43.978 17.377 -1.459 347 H SER 49 HN SER 49 42.407 14.876 -3.955 348 HA SER 49 HA SER 49 41.042 17.103 -4.803 349 HG SER 49 HG SER 49 39.543 13.735 -5.855 350 HB2 SER 49 HB2 SER 49 40.069 15.640 -6.513 351 HB3 SER 49 HB1 SER 49 41.765 15.245 -6.256 352 H LEU 50 HN LEU 50 40.112 14.993 -2.342 353 HA LEU 50 HA LEU 50 37.243 15.265 -2.730 354 HG LEU 50 HG LEU 50 38.891 12.837 -2.548 355 HB2 LEU 50 HB2 LEU 50 38.886 14.180 -0.433 356 HB3 LEU 50 HB1 LEU 50 37.125 14.185 -0.477 357 HD11 LEU 50 HD11 LEU 50 38.146 10.735 -1.452 358 HD12 LEU 50 HD12 LEU 50 37.328 11.689 -0.214 359 HD13 LEU 50 HD13 LEU 50 39.084 11.750 -0.357 360 HD21 LEU 50 HD23 LEU 50 35.912 13.124 -2.160 361 HD22 LEU 50 HD21 LEU 50 36.539 11.647 -2.890 362 HD23 LEU 50 HD22 LEU 50 36.850 13.202 -3.651 363 H LYS 51 HN LYS 51 39.855 16.780 -0.952 364 HA LYS 51 HA LYS 51 38.439 18.247 0.960 365 HB2 LYS 51 HB2 LYS 51 40.981 18.020 0.644 366 HB3 LYS 51 HB1 LYS 51 40.833 19.340 -0.515 367 HG2 LYS 51 HG2 LYS 51 39.888 20.798 1.187 368 HG3 LYS 51 HG1 LYS 51 39.851 19.476 2.353 369 HD2 LYS 51 HD2 LYS 51 41.802 20.885 2.775 370 HD3 LYS 51 HD1 LYS 51 42.328 19.303 2.203 371 HE2 LYS 51 HE2 LYS 51 41.891 21.498 0.192 372 HE3 LYS 51 HE1 LYS 51 43.368 21.498 1.156 373 HZ1 LYS 51 HZ3 LYS 51 43.105 18.910 0.363 374 HZ2 LYS 51 HZ1 LYS 51 44.142 20.060 -0.329 375 HZ3 LYS 51 HZ2 LYS 51 42.608 19.785 -1.006 376 H ASP 52 HN ASP 52 39.767 19.684 -1.992 377 HA ASP 52 HA ASP 52 38.389 22.048 -2.047 378 HB2 ASP 52 HB2 ASP 52 38.459 21.939 -4.549 379 HB3 ASP 52 HB1 ASP 52 40.003 21.557 -3.787 380 H TYR 53 HN TYR 53 37.226 19.068 -3.640 381 HA TYR 53 HA TYR 53 34.668 20.022 -4.251 382 HD1 TYR 53 HD2 TYR 53 33.355 18.806 -6.219 383 HD2 TYR 53 HD1 TYR 53 33.606 16.109 -2.885 384 HE1 TYR 53 HE2 TYR 53 31.003 18.118 -6.599 385 HE2 TYR 53 HE1 TYR 53 31.254 15.419 -3.267 386 HH TYR 53 HH TYR 53 29.494 16.397 -6.114 387 HB2 TYR 53 HB2 TYR 53 35.572 17.988 -5.262 388 HB3 TYR 53 HB1 TYR 53 35.566 17.184 -3.693 389 H TRP 54 HN TRP 54 35.825 18.267 -1.360 390 HA TRP 54 HA TRP 54 33.279 18.099 -0.107 391 HD1 TRP 54 HD1 TRP 54 32.540 16.794 1.953 392 HE1 TRP 54 HE1 TRP 54 32.227 17.127 4.489 393 HE3 TRP 54 HE3 TRP 54 37.047 18.884 3.131 394 HZ2 TRP 54 HZ2 TRP 54 33.696 18.140 6.725 395 HZ3 TRP 54 HZ3 TRP 54 37.565 19.521 5.469 396 HH2 TRP 54 HH2 TRP 54 35.897 19.153 7.265 397 HB2 TRP 54 HB2 TRP 54 35.097 16.653 0.593 398 HB3 TRP 54 HB1 TRP 54 36.090 18.047 1.019 399 H SER 55 HN SER 55 36.048 20.260 0.492 400 HA SER 55 HA SER 55 34.964 21.932 2.394 401 HG SER 55 HG SER 55 36.188 24.191 2.294 402 HB2 SER 55 HB2 SER 55 37.245 22.237 1.866 403 HB3 SER 55 HB1 SER 55 36.907 22.467 0.154 404 H THR 56 HN THR 56 34.411 21.892 -1.055 405 HA THR 56 HA THR 56 32.952 24.391 -1.095 406 HB THR 56 HB THR 56 32.240 23.551 -3.401 407 HG1 THR 56 HG1 THR 56 34.292 21.694 -3.182 408 HG21 THR 56 HG23 THR 56 35.116 23.915 -2.560 409 HG22 THR 56 HG21 THR 56 34.045 25.080 -3.339 410 HG23 THR 56 HG22 THR 56 34.672 23.710 -4.255 411 H VAL 57 HN VAL 57 31.720 21.214 -2.148 412 HA VAL 57 HA VAL 57 29.068 21.558 -1.903 413 HB VAL 57 HB VAL 57 30.612 19.117 -0.991 414 HG11 VAL 57 HG11 VAL 57 27.657 19.567 -1.469 415 HG12 VAL 57 HG12 VAL 57 28.433 18.894 -0.035 416 HG13 VAL 57 HG13 VAL 57 28.389 17.964 -1.533 417 HG21 VAL 57 HG23 VAL 57 29.788 18.319 -3.277 418 HG22 VAL 57 HG21 VAL 57 31.035 19.564 -3.302 419 HG23 VAL 57 HG22 VAL 57 29.351 19.996 -3.600 420 H LYS 58 HN LYS 58 30.879 20.192 0.865 421 HA LYS 58 HA LYS 58 28.931 20.311 2.782 422 HB2 LYS 58 HB2 LYS 58 31.185 19.400 3.164 423 HB3 LYS 58 HB1 LYS 58 31.844 21.035 3.166 424 HG2 LYS 58 HG2 LYS 58 30.513 21.619 5.120 425 HG3 LYS 58 HG1 LYS 58 29.711 20.047 5.080 426 HD2 LYS 58 HD2 LYS 58 31.882 18.935 5.451 427 HD3 LYS 58 HD1 LYS 58 32.677 20.509 5.511 428 HE2 LYS 58 HE2 LYS 58 30.425 19.688 7.362 429 HE3 LYS 58 HE1 LYS 58 32.134 19.550 7.776 430 HZ1 LYS 58 HZ3 LYS 58 31.636 22.118 6.751 431 HZ2 LYS 58 HZ1 LYS 58 32.163 21.683 8.305 432 HZ3 LYS 58 HZ2 LYS 58 30.501 21.796 7.973 433 H ASP 59 HN ASP 59 31.316 22.923 2.251 434 HA ASP 59 HA ASP 59 30.073 24.808 3.911 435 HB2 ASP 59 HB2 ASP 59 32.392 24.977 2.946 436 HB3 ASP 59 HB1 ASP 59 31.658 25.425 1.406 437 H LYS 60 HN LYS 60 29.729 24.277 0.392 438 HA LYS 60 HA LYS 60 27.867 26.366 0.002 439 HB2 LYS 60 HB2 LYS 60 28.345 23.829 -1.597 440 HB3 LYS 60 HB1 LYS 60 27.426 25.220 -2.164 441 HG2 LYS 60 HG2 LYS 60 30.265 25.573 -1.213 442 HG3 LYS 60 HG1 LYS 60 29.946 24.994 -2.846 443 HD2 LYS 60 HD2 LYS 60 28.542 26.990 -3.270 444 HD3 LYS 60 HD1 LYS 60 28.899 27.579 -1.651 445 HE2 LYS 60 HE2 LYS 60 31.299 27.648 -2.186 446 HE3 LYS 60 HE1 LYS 60 30.956 27.042 -3.806 447 HZ1 LYS 60 HZ3 LYS 60 30.478 29.686 -2.669 448 HZ2 LYS 60 HZ1 LYS 60 29.314 29.100 -3.756 449 HZ3 LYS 60 HZ2 LYS 60 30.934 29.246 -4.246 450 H PHE 61 HN PHE 61 27.541 23.480 1.633 451 HA PHE 61 HA PHE 61 24.907 22.732 0.909 452 HD1 PHE 61 HD2 PHE 61 24.840 19.946 1.249 453 HD2 PHE 61 HD1 PHE 61 24.016 22.243 4.782 454 HE1 PHE 61 HE2 PHE 61 22.826 18.565 1.676 455 HE2 PHE 61 HE1 PHE 61 22.002 20.863 5.212 456 HZ PHE 61 HZ PHE 61 21.406 19.023 3.658 457 HB2 PHE 61 HB2 PHE 61 26.567 21.392 2.322 458 HB3 PHE 61 HB1 PHE 61 26.122 22.447 3.664 459 H SER 62 HN SER 62 26.266 25.298 2.778 460 HA SER 62 HA SER 62 23.928 25.910 4.341 461 HG SER 62 HG SER 62 24.843 29.004 3.767 462 HB2 SER 62 HB2 SER 62 25.906 26.824 5.211 463 HB3 SER 62 HB1 SER 62 26.421 27.449 3.647 464 H GLU 63 HN GLU 63 25.329 27.378 1.413 465 HA GLU 63 HA GLU 63 23.065 29.096 0.986 466 HB2 GLU 63 HB2 GLU 63 25.427 28.386 -0.753 467 HB3 GLU 63 HB1 GLU 63 24.198 29.576 -1.190 468 HG2 GLU 63 HG2 GLU 63 24.692 30.873 0.823 469 HG3 GLU 63 HG1 GLU 63 25.868 29.665 1.335 470 H PHE 64 HN PHE 64 24.042 25.929 -0.222 471 HA PHE 64 HA PHE 64 22.421 25.777 -2.473 472 HD1 PHE 64 HD1 PHE 64 22.841 23.943 -4.228 473 HD2 PHE 64 HD2 PHE 64 21.635 21.913 -0.640 474 HE1 PHE 64 HE1 PHE 64 21.514 22.342 -5.579 475 HE2 PHE 64 HE2 PHE 64 20.308 20.312 -1.990 476 HZ PHE 64 HZ PHE 64 20.248 20.526 -4.460 477 HB2 PHE 64 HB2 PHE 64 24.119 24.113 -1.973 478 HB3 PHE 64 HB1 PHE 64 23.249 23.619 -0.520 479 H TRP 65 HN TRP 65 21.433 26.273 0.667 480 HA TRP 65 HA TRP 65 19.005 24.696 0.589 481 HD1 TRP 65 HD1 TRP 65 18.270 23.532 3.154 482 HE1 TRP 65 HE1 TRP 65 15.907 23.832 4.137 483 HE3 TRP 65 HE3 TRP 65 17.730 28.578 2.616 484 HZ2 TRP 65 HZ2 TRP 65 14.034 25.938 4.635 485 HZ3 TRP 65 HZ3 TRP 65 15.650 29.706 3.353 486 HH2 TRP 65 HH2 TRP 65 13.804 28.395 4.361 487 HB2 TRP 65 HB2 TRP 65 20.220 25.328 2.698 488 HB3 TRP 65 HB1 TRP 65 19.727 26.997 2.417 489 H ASP 66 HN ASP 66 19.802 28.173 0.422 490 HA ASP 66 HA ASP 66 17.099 28.834 -0.519 491 HB2 ASP 66 HB2 ASP 66 18.439 30.253 1.127 492 HB3 ASP 66 HB1 ASP 66 19.469 30.697 -0.230 493 H LEU 67 HN LEU 67 16.637 28.557 -2.536 494 HA LEU 67 HA LEU 67 18.678 28.617 -4.616 495 HG LEU 67 HG LEU 67 18.391 26.458 -5.426 496 HB2 LEU 67 HB2 LEU 67 15.806 27.728 -4.469 497 HB3 LEU 67 HB1 LEU 67 16.556 28.024 -6.038 498 HD11 LEU 67 HD11 LEU 67 18.458 26.593 -3.058 499 HD12 LEU 67 HD12 LEU 67 17.878 24.963 -3.400 500 HD13 LEU 67 HD13 LEU 67 16.741 26.218 -2.906 501 HD21 LEU 67 HD23 LEU 67 15.710 25.120 -4.998 502 HD22 LEU 67 HD21 LEU 67 17.147 24.446 -5.765 503 HD23 LEU 67 HD22 LEU 67 16.231 25.716 -6.574 504 H ASP 68 HN ASP 68 17.406 29.577 -6.768 505 HA ASP 68 HA ASP 68 17.758 32.342 -6.582 506 HB2 ASP 68 HB2 ASP 68 16.820 30.368 -8.546 507 HB3 ASP 68 HB1 ASP 68 15.994 31.907 -8.745 508 HA PRO 69 HA PRO 69 14.232 34.308 -4.884 509 HB2 PRO 69 HB2 PRO 69 13.107 35.522 -7.265 510 HB3 PRO 69 HB1 PRO 69 14.100 36.288 -6.018 511 HG2 PRO 69 HG2 PRO 69 14.883 35.275 -8.668 512 HG3 PRO 69 HG1 PRO 69 15.686 36.471 -7.638 513 HD2 PRO 69 HD2 PRO 69 16.701 33.977 -8.034 514 HD3 PRO 69 HD1 PRO 69 16.935 34.858 -6.514 515 H GLU 70 HN GLU 70 13.934 32.073 -7.444 516 HA GLU 70 HA GLU 70 11.111 31.525 -6.683 517 HB2 GLU 70 HB2 GLU 70 10.968 30.584 -9.097 518 HB3 GLU 70 HB1 GLU 70 10.871 32.331 -8.881 519 HG2 GLU 70 HG2 GLU 70 13.261 32.546 -9.401 520 HG3 GLU 70 HG1 GLU 70 13.393 30.800 -9.577 521 H VAL 71 HN VAL 71 11.217 29.774 -5.449 522 HA VAL 71 HA VAL 71 13.106 27.600 -6.104 523 HB VAL 71 HB VAL 71 11.212 27.766 -3.749 524 HG11 VAL 71 HG11 VAL 71 12.398 25.610 -4.394 525 HG12 VAL 71 HG12 VAL 71 12.689 26.181 -2.751 526 HG13 VAL 71 HG13 VAL 71 13.911 26.427 -3.999 527 HG21 VAL 71 HG23 VAL 71 12.451 29.778 -3.526 528 HG22 VAL 71 HG21 VAL 71 13.930 29.033 -4.128 529 HG23 VAL 71 HG22 VAL 71 13.320 28.614 -2.529 530 H ARG 72 HN ARG 72 12.040 26.770 -7.933 531 HA ARG 72 HA ARG 72 9.486 25.389 -7.373 532 HE ARG 72 HE ARG 72 7.425 29.716 -8.436 533 HB2 ARG 72 HB2 ARG 72 10.308 26.777 -9.919 534 HB3 ARG 72 HB1 ARG 72 8.905 25.718 -9.784 535 HG2 ARG 72 HG2 ARG 72 8.133 27.196 -7.852 536 HG3 ARG 72 HG1 ARG 72 9.396 28.327 -8.335 537 HD2 ARG 72 HD2 ARG 72 8.361 28.196 -10.689 538 HD3 ARG 72 HD1 ARG 72 6.973 27.446 -9.901 539 HH11 ARG 72 HH21 ARG 72 6.838 28.913 -11.745 540 HH12 ARG 72 HH22 ARG 72 6.147 30.450 -12.142 541 HH21 ARG 72 HH11 ARG 72 6.583 31.755 -8.955 542 HH22 ARG 72 HH12 ARG 72 6.001 32.065 -10.556 543 HA PRO 73 HA PRO 73 11.758 21.857 -8.813 544 HB2 PRO 73 HB2 PRO 73 9.456 20.378 -9.766 545 HB3 PRO 73 HB1 PRO 73 10.339 20.162 -8.247 546 HG2 PRO 73 HG2 PRO 73 7.742 21.139 -8.488 547 HG3 PRO 73 HG1 PRO 73 8.777 21.290 -7.060 548 HD2 PRO 73 HD2 PRO 73 8.105 23.345 -9.121 549 HD3 PRO 73 HD1 PRO 73 8.542 23.540 -7.414 550 H THR 74 HN THR 74 9.644 23.656 -10.871 551 HA THR 74 HA THR 74 10.332 22.262 -13.306 552 HB THR 74 HB THR 74 9.021 24.963 -13.082 553 HG1 THR 74 HG1 THR 74 7.174 23.964 -12.657 554 HG21 THR 74 HG23 THR 74 9.742 24.246 -15.330 555 HG22 THR 74 HG21 THR 74 7.982 24.268 -15.206 556 HG23 THR 74 HG22 THR 74 8.852 22.735 -15.133 557 H SER 75 HN SER 75 10.747 25.674 -12.460 558 HA SER 75 HA SER 75 12.620 26.222 -14.449 559 HG SER 75 HG SER 75 13.215 28.207 -14.455 560 HB2 SER 75 HB2 SER 75 11.306 27.846 -12.955 561 HB3 SER 75 HB1 SER 75 12.594 27.615 -11.776 562 H ALA 76 HN ALA 76 13.083 25.071 -11.128 563 HA ALA 76 HA ALA 76 15.849 25.373 -10.922 564 HB1 ALA 76 HB3 ALA 76 14.590 24.688 -9.001 565 HB2 ALA 76 HB1 ALA 76 15.703 23.371 -9.379 566 HB3 ALA 76 HB2 ALA 76 14.001 23.247 -9.829 567 H VAL 77 HN VAL 77 14.153 22.356 -11.804 568 HA VAL 77 HA VAL 77 16.442 21.008 -12.718 569 HB VAL 77 HB VAL 77 13.529 20.642 -13.469 570 HG11 VAL 77 HG11 VAL 77 15.990 18.994 -14.091 571 HG12 VAL 77 HG12 VAL 77 14.791 19.618 -15.224 572 HG13 VAL 77 HG13 VAL 77 14.364 18.313 -14.118 573 HG21 VAL 77 HG23 VAL 77 14.049 20.281 -11.090 574 HG22 VAL 77 HG21 VAL 77 15.371 19.202 -11.531 575 HG23 VAL 77 HG22 VAL 77 13.705 18.742 -11.879 576 H ALA 78 HN ALA 78 13.958 22.790 -14.588 577 HA ALA 78 HA ALA 78 15.266 22.448 -17.091 578 HB1 ALA 78 HB3 ALA 78 12.920 22.956 -17.074 579 HB2 ALA 78 HB1 ALA 78 13.745 24.338 -17.796 580 HB3 ALA 78 HB2 ALA 78 13.184 24.419 -16.125 581 H ALA 79 HN ALA 79 16.043 24.251 -14.392 582 HA ALA 79 HA ALA 79 18.290 25.497 -15.566 583 HB1 ALA 79 HB3 ALA 79 15.843 27.232 -15.217 584 HB2 ALA 79 HB1 ALA 79 16.840 27.034 -16.658 585 HB3 ALA 79 HB2 ALA 79 17.477 27.897 -15.259 Start of MODEL 2 1 HA SER 1 HA SER 1 -2.972 -27.137 12.762 2 HG SER 1 HG SER 1 -1.394 -28.415 15.725 3 H1 SER 1 HT1 SER 1 -0.612 -27.825 11.145 4 H2 SER 1 HT2 SER 1 -2.199 -27.484 10.642 5 H3 SER 1 HT3 SER 1 -1.836 -28.976 11.370 6 HB2 SER 1 HB2 SER 1 -2.228 -29.254 13.703 7 HB3 SER 1 HB1 SER 1 -0.549 -28.724 13.662 8 H GLU 2 HN GLU 2 -2.453 -25.040 11.887 9 HA GLU 2 HA GLU 2 -0.546 -23.610 13.498 10 HB2 GLU 2 HB2 GLU 2 0.814 -22.749 11.644 11 HB3 GLU 2 HB1 GLU 2 0.958 -24.503 11.764 12 HG2 GLU 2 HG2 GLU 2 -0.761 -24.744 9.986 13 HG3 GLU 2 HG1 GLU 2 -0.828 -22.989 9.833 14 H ALA 3 HN ALA 3 -0.699 -21.289 13.179 15 HA ALA 3 HA ALA 3 -3.353 -20.414 12.692 16 HB1 ALA 3 HB3 ALA 3 -2.001 -19.265 14.330 17 HB2 ALA 3 HB1 ALA 3 -2.368 -18.136 13.025 18 HB3 ALA 3 HB2 ALA 3 -0.776 -18.890 13.117 19 H GLU 4 HN GLU 4 -4.142 -20.439 10.710 20 HA GLU 4 HA GLU 4 -2.633 -20.145 8.329 21 HB2 GLU 4 HB2 GLU 4 -5.611 -19.833 8.809 22 HB3 GLU 4 HB1 GLU 4 -4.849 -19.924 7.223 23 HG2 GLU 4 HG2 GLU 4 -5.498 -22.146 7.603 24 HG3 GLU 4 HG1 GLU 4 -3.807 -22.152 8.095 25 H ASP 5 HN ASP 5 -3.646 -17.887 10.619 26 HA ASP 5 HA ASP 5 -4.267 -15.640 9.029 27 HB2 ASP 5 HB2 ASP 5 -3.105 -15.907 11.803 28 HB3 ASP 5 HB1 ASP 5 -3.507 -14.350 11.081 29 H ALA 6 HN ALA 6 -1.203 -16.962 10.169 30 HA ALA 6 HA ALA 6 0.520 -14.883 9.592 31 HB1 ALA 6 HB3 ALA 6 1.137 -17.787 9.036 32 HB2 ALA 6 HB1 ALA 6 1.084 -17.115 10.666 33 HB3 ALA 6 HB2 ALA 6 2.266 -16.514 9.503 34 H SER 7 HN SER 7 0.422 -13.741 7.795 35 HA SER 7 HA SER 7 -0.254 -14.820 5.236 36 HG SER 7 HG SER 7 0.520 -11.948 7.223 37 HB2 SER 7 HB2 SER 7 0.480 -12.498 4.461 38 HB3 SER 7 HB1 SER 7 -0.856 -12.548 5.608 39 H LEU 8 HN LEU 8 1.290 -14.087 3.376 40 HA LEU 8 HA LEU 8 3.524 -15.784 3.394 41 HG LEU 8 HG LEU 8 2.970 -16.509 1.206 42 HB2 LEU 8 HB2 LEU 8 2.685 -13.513 1.591 43 HB3 LEU 8 HB1 LEU 8 4.202 -14.373 1.326 44 HD11 LEU 8 HD11 LEU 8 0.409 -16.243 0.945 45 HD12 LEU 8 HD12 LEU 8 0.622 -14.687 1.746 46 HD13 LEU 8 HD13 LEU 8 1.071 -16.177 2.576 47 HD21 LEU 8 HD23 LEU 8 1.805 -16.055 -0.950 48 HD22 LEU 8 HD21 LEU 8 3.376 -15.257 -0.869 49 HD23 LEU 8 HD22 LEU 8 1.902 -14.326 -0.615 50 H LEU 9 HN LEU 9 3.207 -13.038 5.173 51 HA LEU 9 HA LEU 9 5.846 -11.916 4.769 52 HG LEU 9 HG LEU 9 3.506 -9.217 5.447 53 HB2 LEU 9 HB2 LEU 9 3.511 -11.351 6.581 54 HB3 LEU 9 HB1 LEU 9 5.074 -10.590 6.869 55 HD11 LEU 9 HD11 LEU 9 6.177 -9.341 5.249 56 HD12 LEU 9 HD12 LEU 9 5.213 -8.336 4.175 57 HD13 LEU 9 HD13 LEU 9 5.784 -9.908 3.625 58 HD21 LEU 9 HD23 LEU 9 2.588 -11.313 4.286 59 HD22 LEU 9 HD21 LEU 9 4.037 -11.264 3.279 60 HD23 LEU 9 HD22 LEU 9 2.897 -9.919 3.253 61 H SER 10 HN SER 10 4.629 -14.585 6.282 62 HA SER 10 HA SER 10 6.018 -14.570 8.740 63 HG SER 10 HG SER 10 4.513 -17.253 6.409 64 HB2 SER 10 HB2 SER 10 5.575 -16.921 8.872 65 HB3 SER 10 HB1 SER 10 4.165 -16.146 8.155 66 H PHE 11 HN PHE 11 6.841 -16.539 5.917 67 HA PHE 11 HA PHE 11 9.315 -17.379 6.699 68 HD1 PHE 11 HD1 PHE 11 9.748 -19.677 5.330 69 HD2 PHE 11 HD2 PHE 11 6.328 -17.531 3.863 70 HE1 PHE 11 HE1 PHE 11 8.434 -21.779 5.315 71 HE2 PHE 11 HE2 PHE 11 5.014 -19.634 3.849 72 HZ PHE 11 HZ PHE 11 6.067 -21.759 4.576 73 HB2 PHE 11 HB2 PHE 11 8.462 -16.470 3.946 74 HB3 PHE 11 HB1 PHE 11 9.931 -17.390 4.273 75 H MET 12 HN MET 12 8.625 -14.309 5.000 76 HA MET 12 HA MET 12 11.277 -13.390 4.929 77 HB2 MET 12 HB2 MET 12 8.662 -11.874 4.981 78 HB3 MET 12 HB1 MET 12 10.227 -11.121 4.677 79 HG2 MET 12 HG2 MET 12 10.578 -12.569 2.732 80 HG3 MET 12 HG1 MET 12 9.053 -13.396 3.051 81 HE1 MET 12 HE3 MET 12 9.499 -12.416 0.295 82 HE2 MET 12 HE1 MET 12 8.029 -11.508 -0.090 83 HE3 MET 12 HE2 MET 12 7.929 -13.006 0.831 84 H GLN 13 HN GLN 13 8.745 -12.020 7.005 85 HA GLN 13 HA GLN 13 10.095 -10.517 8.766 86 HB2 GLN 13 HB2 GLN 13 7.928 -12.527 9.353 87 HB3 GLN 13 HB1 GLN 13 8.567 -11.469 10.612 88 HG2 GLN 13 HG2 GLN 13 7.954 -9.498 9.333 89 HG3 GLN 13 HG1 GLN 13 7.440 -10.490 7.973 90 HE21 GLN 13 HE21 GLN 13 5.385 -9.033 8.658 91 HE22 GLN 13 HE22 GLN 13 4.302 -9.809 9.709 92 H GLY 14 HN GLY 14 9.843 -14.069 9.179 93 HA2 GLY 14 HA2 GLY 14 11.675 -14.171 11.352 94 HA3 GLY 14 HA1 GLY 14 11.141 -15.539 10.379 95 H TYR 15 HN TYR 15 12.037 -14.667 7.847 96 HA TYR 15 HA TYR 15 14.585 -15.663 7.686 97 HD1 TYR 15 HD2 TYR 15 15.105 -16.716 5.298 98 HD2 TYR 15 HD1 TYR 15 15.462 -12.442 5.112 99 HE1 TYR 15 HE2 TYR 15 17.196 -16.949 3.988 100 HE2 TYR 15 HE1 TYR 15 17.551 -12.671 3.799 101 HH TYR 15 HH TYR 15 18.925 -14.078 2.775 102 HB2 TYR 15 HB2 TYR 15 13.159 -15.142 5.717 103 HB3 TYR 15 HB1 TYR 15 13.493 -13.432 5.958 104 H MET 16 HN MET 16 13.974 -12.186 7.573 105 HA MET 16 HA MET 16 16.623 -11.422 7.909 106 HB2 MET 16 HB2 MET 16 14.821 -9.842 7.328 107 HB3 MET 16 HB1 MET 16 14.121 -10.043 8.932 108 HG2 MET 16 HG2 MET 16 16.085 -9.073 9.974 109 HG3 MET 16 HG1 MET 16 16.920 -9.000 8.423 110 HE1 MET 16 HE3 MET 16 16.207 -5.282 9.378 111 HE2 MET 16 HE1 MET 16 17.435 -6.472 8.919 112 HE3 MET 16 HE2 MET 16 16.571 -6.634 10.445 113 H LYS 17 HN LYS 17 14.277 -12.565 10.237 114 HA LYS 17 HA LYS 17 15.656 -11.700 12.566 115 HB2 LYS 17 HB2 LYS 17 13.237 -12.652 12.335 116 HB3 LYS 17 HB1 LYS 17 14.012 -14.220 12.540 117 HG2 LYS 17 HG2 LYS 17 14.967 -13.527 14.671 118 HG3 LYS 17 HG1 LYS 17 14.324 -11.897 14.460 119 HD2 LYS 17 HD2 LYS 17 12.030 -12.792 14.446 120 HD3 LYS 17 HD1 LYS 17 12.664 -14.424 14.656 121 HE2 LYS 17 HE2 LYS 17 13.676 -13.769 16.797 122 HE3 LYS 17 HE1 LYS 17 13.065 -12.127 16.591 123 HZ1 LYS 17 HZ3 LYS 17 11.397 -13.011 17.825 124 HZ2 LYS 17 HZ1 LYS 17 11.621 -14.584 17.236 125 HZ3 LYS 17 HZ2 LYS 17 10.819 -13.427 16.283 126 H HIS 18 HN HIS 18 15.735 -14.719 10.730 127 HA HIS 18 HA HIS 18 17.751 -15.908 12.412 128 HD1 HIS 18 HD1 HIS 18 18.035 -18.555 12.786 129 HD2 HIS 18 HD2 HIS 18 18.794 -18.224 8.700 130 HE1 HIS 18 HE1 HIS 18 19.866 -20.224 12.259 131 HB2 HIS 18 HB2 HIS 18 16.106 -17.318 11.280 132 HB3 HIS 18 HB1 HIS 18 16.676 -16.750 9.710 133 H ALA 19 HN ALA 19 17.702 -14.653 9.036 134 HA ALA 19 HA ALA 19 20.375 -15.127 8.459 135 HB1 ALA 19 HB3 ALA 19 18.607 -14.348 6.860 136 HB2 ALA 19 HB1 ALA 19 20.124 -13.458 6.720 137 HB3 ALA 19 HB2 ALA 19 18.753 -12.739 7.566 138 H THR 20 HN THR 20 19.011 -12.802 10.548 139 HA THR 20 HA THR 20 21.179 -10.946 10.561 140 HB THR 20 HB THR 20 19.022 -11.587 12.591 141 HG1 THR 20 HG1 THR 20 19.354 -9.875 10.457 142 HG21 THR 20 HG23 THR 20 20.798 -10.717 13.913 143 HG22 THR 20 HG21 THR 20 19.739 -9.345 13.591 144 HG23 THR 20 HG22 THR 20 21.239 -9.534 12.682 145 H LYS 21 HN LYS 21 20.778 -14.102 11.749 146 HA LYS 21 HA LYS 21 22.620 -13.982 13.938 147 HB2 LYS 21 HB2 LYS 21 20.917 -15.774 13.708 148 HB3 LYS 21 HB1 LYS 21 21.825 -16.414 12.338 149 HG2 LYS 21 HG2 LYS 21 23.796 -16.739 13.769 150 HG3 LYS 21 HG1 LYS 21 22.930 -16.044 15.141 151 HD2 LYS 21 HD2 LYS 21 21.251 -17.846 14.996 152 HD3 LYS 21 HD1 LYS 21 22.127 -18.552 13.638 153 HE2 LYS 21 HE2 LYS 21 24.108 -18.864 15.075 154 HE3 LYS 21 HE1 LYS 21 23.234 -18.156 16.435 155 HZ1 LYS 21 HZ3 LYS 21 21.842 -20.305 15.103 156 HZ2 LYS 21 HZ1 LYS 21 22.067 -20.020 16.759 157 HZ3 LYS 21 HZ2 LYS 21 23.291 -20.778 15.855 158 H THR 22 HN THR 22 22.905 -14.627 10.496 159 HA THR 22 HA THR 22 25.515 -15.682 10.484 160 HB THR 22 HB THR 22 25.565 -14.998 8.113 161 HG1 THR 22 HG1 THR 22 23.007 -13.969 8.277 162 HG21 THR 22 HG23 THR 22 23.038 -16.212 9.230 163 HG22 THR 22 HG21 THR 22 24.416 -17.034 8.496 164 HG23 THR 22 HG22 THR 22 23.319 -16.085 7.493 165 H ALA 23 HN ALA 23 24.483 -12.551 11.246 166 HA ALA 23 HA ALA 23 26.397 -10.840 10.299 167 HB1 ALA 23 HB3 ALA 23 25.929 -9.447 12.210 168 HB2 ALA 23 HB1 ALA 23 25.334 -10.828 13.131 169 HB3 ALA 23 HB2 ALA 23 24.425 -10.239 11.740 170 H LYS 24 HN LYS 24 26.576 -12.755 13.324 171 HA LYS 24 HA LYS 24 29.104 -12.012 14.154 172 HB2 LYS 24 HB2 LYS 24 27.539 -13.465 15.415 173 HB3 LYS 24 HB1 LYS 24 27.888 -14.785 14.300 174 HG2 LYS 24 HG2 LYS 24 30.239 -14.759 14.954 175 HG3 LYS 24 HG1 LYS 24 29.953 -13.371 16.006 176 HD2 LYS 24 HD2 LYS 24 28.365 -14.716 17.343 177 HD3 LYS 24 HD1 LYS 24 28.679 -16.109 16.305 178 HE2 LYS 24 HE2 LYS 24 30.833 -14.648 17.854 179 HE3 LYS 24 HE1 LYS 24 30.021 -16.102 18.438 180 HZ1 LYS 24 HZ3 LYS 24 30.846 -16.546 15.801 181 HZ2 LYS 24 HZ1 LYS 24 31.383 -17.317 17.211 182 HZ3 LYS 24 HZ2 LYS 24 32.171 -15.916 16.658 183 H ASP 25 HN ASP 25 28.622 -15.137 12.697 184 HA ASP 25 HA ASP 25 31.146 -15.792 11.946 185 HB2 ASP 25 HB2 ASP 25 28.571 -16.378 10.468 186 HB3 ASP 25 HB1 ASP 25 30.115 -17.083 10.002 187 H ALA 26 HN ALA 26 28.856 -13.790 10.151 188 HA ALA 26 HA ALA 26 30.565 -13.305 7.928 189 HB1 ALA 26 HB3 ALA 26 28.068 -12.944 7.964 190 HB2 ALA 26 HB1 ALA 26 28.991 -11.580 7.330 191 HB3 ALA 26 HB2 ALA 26 28.350 -11.525 8.973 192 H LEU 27 HN LEU 27 29.956 -11.672 11.023 193 HA LEU 27 HA LEU 27 31.486 -9.358 10.527 194 HG LEU 27 HG LEU 27 32.770 -8.721 12.925 195 HB2 LEU 27 HB2 LEU 27 29.946 -9.738 12.495 196 HB3 LEU 27 HB1 LEU 27 31.209 -10.740 13.195 197 HD11 LEU 27 HD11 LEU 27 31.381 -6.515 13.056 198 HD12 LEU 27 HD12 LEU 27 30.109 -7.451 12.280 199 HD13 LEU 27 HD13 LEU 27 31.657 -7.235 11.475 200 HD21 LEU 27 HD23 LEU 27 31.790 -7.614 14.992 201 HD22 LEU 27 HD21 LEU 27 32.008 -9.359 15.112 202 HD23 LEU 27 HD22 LEU 27 30.404 -8.690 14.818 203 H SER 28 HN SER 28 32.447 -12.436 11.919 204 HA SER 28 HA SER 28 35.118 -11.776 12.476 205 HG SER 28 HG SER 28 34.331 -15.284 11.079 206 HB2 SER 28 HB2 SER 28 35.522 -14.221 12.414 207 HB3 SER 28 HB1 SER 28 34.077 -13.808 13.337 208 H SER 29 HN SER 29 33.446 -12.483 9.581 209 HA SER 29 HA SER 29 35.812 -13.088 7.992 210 HG SER 29 HG SER 29 32.334 -11.915 7.361 211 HB2 SER 29 HB2 SER 29 34.413 -13.349 6.149 212 HB3 SER 29 HB1 SER 29 33.379 -13.824 7.495 213 H VAL 30 HN VAL 30 34.867 -10.243 9.324 214 HA VAL 30 HA VAL 30 34.962 -8.325 7.313 215 HB VAL 30 HB VAL 30 35.875 -6.801 9.074 216 HG11 VAL 30 HG11 VAL 30 33.591 -6.675 9.165 217 HG12 VAL 30 HG12 VAL 30 33.794 -7.541 10.683 218 HG13 VAL 30 HG13 VAL 30 33.379 -8.424 9.216 219 HG21 VAL 30 HG23 VAL 30 35.767 -8.001 11.441 220 HG22 VAL 30 HG21 VAL 30 37.245 -8.058 10.486 221 HG23 VAL 30 HG22 VAL 30 36.159 -9.442 10.509 222 H GLN 31 HN GLN 31 37.327 -10.546 7.780 223 HA GLN 31 HA GLN 31 39.797 -9.366 7.802 224 HB2 GLN 31 HB2 GLN 31 39.353 -11.809 7.522 225 HB3 GLN 31 HB1 GLN 31 38.909 -11.507 5.844 226 HG2 GLN 31 HG2 GLN 31 41.134 -10.708 5.339 227 HG3 GLN 31 HG1 GLN 31 41.599 -10.798 7.036 228 HE21 GLN 31 HE21 GLN 31 43.025 -12.238 5.013 229 HE22 GLN 31 HE22 GLN 31 42.775 -13.898 5.265 230 H GLU 32 HN GLU 32 37.339 -8.795 5.520 231 HA GLU 32 HA GLU 32 39.038 -7.913 3.381 232 HB2 GLU 32 HB2 GLU 32 36.113 -7.450 4.002 233 HB3 GLU 32 HB1 GLU 32 36.908 -6.857 2.542 234 HG2 GLU 32 HG2 GLU 32 37.521 -9.154 1.922 235 HG3 GLU 32 HG1 GLU 32 36.779 -9.765 3.400 236 H SER 33 HN SER 33 38.573 -6.768 6.433 237 HA SER 33 HA SER 33 38.188 -3.998 6.094 238 HG SER 33 HG SER 33 39.910 -5.781 9.293 239 HB2 SER 33 HB2 SER 33 39.156 -3.766 8.333 240 HB3 SER 33 HB1 SER 33 38.026 -5.116 8.290 241 H GLN 34 HN GLN 34 40.768 -6.053 5.299 242 HA GLN 34 HA GLN 34 43.024 -4.478 5.642 243 HB2 GLN 34 HB2 GLN 34 42.297 -6.294 3.342 244 HB3 GLN 34 HB1 GLN 34 43.884 -5.544 3.523 245 HG2 GLN 34 HG2 GLN 34 44.175 -6.581 5.705 246 HG3 GLN 34 HG1 GLN 34 42.555 -7.273 5.620 247 HE21 GLN 34 HE21 GLN 34 43.257 -7.593 2.539 248 HE22 GLN 34 HE22 GLN 34 44.114 -9.058 2.525 249 H VAL 35 HN VAL 35 40.270 -3.660 3.865 250 HA VAL 35 HA VAL 35 40.992 -2.294 1.642 251 HB VAL 35 HB VAL 35 38.697 -2.420 2.822 252 HG11 VAL 35 HG11 VAL 35 39.505 0.284 3.904 253 HG12 VAL 35 HG12 VAL 35 39.654 -1.179 4.875 254 HG13 VAL 35 HG13 VAL 35 38.072 -0.668 4.292 255 HG21 VAL 35 HG23 VAL 35 37.909 -0.391 1.652 256 HG22 VAL 35 HG21 VAL 35 39.067 -1.278 0.661 257 HG23 VAL 35 HG22 VAL 35 39.571 0.179 1.517 258 H ALA 36 HN ALA 36 42.223 -1.679 4.742 259 HA ALA 36 HA ALA 36 42.787 1.056 4.801 260 HB1 ALA 36 HB3 ALA 36 43.364 -0.517 6.616 261 HB2 ALA 36 HB1 ALA 36 44.775 0.424 6.129 262 HB3 ALA 36 HB2 ALA 36 44.597 -1.247 5.589 263 H GLN 37 HN GLN 37 45.094 -1.402 3.681 264 HA GLN 37 HA GLN 37 46.932 0.152 2.429 265 HB2 GLN 37 HB2 GLN 37 47.006 -2.346 2.482 266 HB3 GLN 37 HB1 GLN 37 45.831 -2.377 1.169 267 HG2 GLN 37 HG2 GLN 37 47.401 -1.057 -0.239 268 HG3 GLN 37 HG1 GLN 37 48.583 -1.098 1.068 269 HE21 GLN 37 HE21 GLN 37 50.173 -2.521 0.273 270 HE22 GLN 37 HE22 GLN 37 49.850 -4.096 -0.274 271 H GLN 38 HN GLN 38 43.794 -0.824 1.044 272 HA GLN 38 HA GLN 38 44.091 0.441 -1.461 273 HB2 GLN 38 HB2 GLN 38 42.231 -1.175 -0.644 274 HB3 GLN 38 HB1 GLN 38 41.474 0.259 0.037 275 HG2 GLN 38 HG2 GLN 38 41.474 1.331 -2.172 276 HG3 GLN 38 HG1 GLN 38 42.214 -0.111 -2.865 277 HE21 GLN 38 HE21 GLN 38 40.673 -1.388 -3.880 278 HE22 GLN 38 HE22 GLN 38 39.077 -1.606 -3.343 279 H ALA 39 HN ALA 39 42.245 1.546 1.353 280 HA ALA 39 HA ALA 39 41.713 4.149 0.656 281 HB1 ALA 39 HB3 ALA 39 41.114 3.053 2.867 282 HB2 ALA 39 HB1 ALA 39 41.641 4.731 2.994 283 HB3 ALA 39 HB2 ALA 39 42.749 3.424 3.412 284 H ARG 40 HN ARG 40 44.647 3.049 2.345 285 HA ARG 40 HA ARG 40 46.082 5.444 2.171 286 HE ARG 40 HE ARG 40 49.298 4.092 4.258 287 HB2 ARG 40 HB2 ARG 40 47.113 2.599 2.232 288 HB3 ARG 40 HB1 ARG 40 48.136 4.021 2.424 289 HG2 ARG 40 HG2 ARG 40 46.897 4.691 4.422 290 HG3 ARG 40 HG1 ARG 40 45.782 3.341 4.210 291 HD2 ARG 40 HD2 ARG 40 47.468 2.744 5.878 292 HD3 ARG 40 HD1 ARG 40 47.692 1.760 4.435 293 HH11 ARG 40 HH21 ARG 40 49.003 1.063 5.909 294 HH12 ARG 40 HH22 ARG 40 50.700 0.914 6.225 295 HH21 ARG 40 HH11 ARG 40 51.522 3.911 4.688 296 HH22 ARG 40 HH12 ARG 40 52.124 2.524 5.534 297 H GLY 41 HN GLY 41 44.994 3.709 -0.228 298 HA2 GLY 41 HA2 GLY 41 47.150 4.066 -2.180 299 HA3 GLY 41 HA1 GLY 41 45.564 3.367 -2.508 300 H TRP 42 HN TRP 42 43.748 5.016 -2.003 301 HA TRP 42 HA TRP 42 43.540 6.823 -4.011 302 HD1 TRP 42 HD1 TRP 42 41.987 4.394 -1.637 303 HE1 TRP 42 HE1 TRP 42 40.093 3.177 -2.888 304 HE3 TRP 42 HE3 TRP 42 40.227 8.226 -4.522 305 HZ2 TRP 42 HZ2 TRP 42 38.098 3.746 -4.852 306 HZ3 TRP 42 HZ3 TRP 42 38.330 7.857 -6.074 307 HH2 TRP 42 HH2 TRP 42 37.264 5.624 -6.242 308 HB2 TRP 42 HB2 TRP 42 42.346 7.095 -1.244 309 HB3 TRP 42 HB1 TRP 42 41.894 8.118 -2.606 310 H VAL 43 HN VAL 43 45.520 7.162 -1.291 311 HA VAL 43 HA VAL 43 45.791 9.968 -1.079 312 HB VAL 43 HB VAL 43 47.758 9.528 0.186 313 HG11 VAL 43 HG11 VAL 43 45.652 8.700 1.185 314 HG12 VAL 43 HG12 VAL 43 47.028 7.714 1.679 315 HG13 VAL 43 HG13 VAL 43 45.923 7.125 0.441 316 HG21 VAL 43 HG23 VAL 43 48.772 7.176 0.129 317 HG22 VAL 43 HG21 VAL 43 49.077 8.173 -1.290 318 HG23 VAL 43 HG22 VAL 43 47.844 6.917 -1.348 319 H THR 44 HN THR 44 47.658 7.590 -2.886 320 HA THR 44 HA THR 44 49.425 9.397 -4.142 321 HB THR 44 HB THR 44 49.822 7.594 -5.812 322 HG1 THR 44 HG1 THR 44 47.659 6.421 -4.416 323 HG21 THR 44 HG23 THR 44 50.768 7.631 -3.400 324 HG22 THR 44 HG21 THR 44 50.860 6.117 -4.298 325 HG23 THR 44 HG22 THR 44 49.607 6.343 -3.077 326 H ASP 45 HN ASP 45 46.278 8.131 -5.137 327 HA ASP 45 HA ASP 45 46.262 9.455 -7.659 328 HB2 ASP 45 HB2 ASP 45 44.860 7.463 -7.084 329 HB3 ASP 45 HB1 ASP 45 43.911 8.492 -6.012 330 H GLY 46 HN GLY 46 46.695 10.978 -4.973 331 HA2 GLY 46 HA2 GLY 46 46.317 13.185 -4.349 332 HA3 GLY 46 HA1 GLY 46 45.408 13.381 -5.843 333 H PHE 47 HN PHE 47 44.974 11.438 -2.838 334 HA PHE 47 HA PHE 47 42.206 11.354 -2.836 335 HD1 PHE 47 HD2 PHE 47 42.646 13.095 0.690 336 HD2 PHE 47 HD1 PHE 47 41.298 9.238 -0.633 337 HE1 PHE 47 HE2 PHE 47 40.707 13.249 2.224 338 HE2 PHE 47 HE1 PHE 47 39.355 9.391 0.902 339 HZ PHE 47 HZ PHE 47 39.060 11.397 2.330 340 HB2 PHE 47 HB2 PHE 47 43.469 10.050 -1.250 341 HB3 PHE 47 HB1 PHE 47 44.145 11.503 -0.517 342 H SER 48 HN SER 48 44.374 13.899 -1.661 343 HA SER 48 HA SER 48 42.682 15.510 -0.245 344 HG SER 48 HG SER 48 45.570 15.806 -2.624 345 HB2 SER 48 HB2 SER 48 44.013 17.431 -1.026 346 HB3 SER 48 HB1 SER 48 45.035 16.065 -0.586 347 H SER 49 HN SER 49 42.645 14.954 -3.725 348 HA SER 49 HA SER 49 41.284 17.105 -4.690 349 HG SER 49 HG SER 49 41.409 13.329 -5.202 350 HB2 SER 49 HB2 SER 49 40.320 15.565 -6.348 351 HB3 SER 49 HB1 SER 49 42.010 15.169 -6.039 352 H LEU 50 HN LEU 50 40.210 14.954 -2.261 353 HA LEU 50 HA LEU 50 37.379 15.323 -2.716 354 HG LEU 50 HG LEU 50 38.204 12.969 -2.804 355 HB2 LEU 50 HB2 LEU 50 39.062 14.080 -0.554 356 HB3 LEU 50 HB1 LEU 50 37.346 14.372 -0.274 357 HD11 LEU 50 HD11 LEU 50 37.897 10.799 -1.551 358 HD12 LEU 50 HD12 LEU 50 37.970 11.727 -0.052 359 HD13 LEU 50 HD13 LEU 50 39.362 11.689 -1.136 360 HD21 LEU 50 HD23 LEU 50 35.838 13.618 -2.537 361 HD22 LEU 50 HD21 LEU 50 35.769 12.768 -0.994 362 HD23 LEU 50 HD22 LEU 50 35.999 11.866 -2.490 363 H LYS 51 HN LYS 51 39.943 16.831 -0.905 364 HA LYS 51 HA LYS 51 38.453 18.308 0.938 365 HB2 LYS 51 HB2 LYS 51 40.944 18.080 0.940 366 HB3 LYS 51 HB1 LYS 51 41.009 19.158 -0.448 367 HG2 LYS 51 HG2 LYS 51 41.440 20.502 1.496 368 HG3 LYS 51 HG1 LYS 51 39.811 20.895 0.961 369 HD2 LYS 51 HD2 LYS 51 38.811 19.639 2.718 370 HD3 LYS 51 HD1 LYS 51 40.313 18.789 3.074 371 HE2 LYS 51 HE2 LYS 51 39.963 20.468 4.784 372 HE3 LYS 51 HE1 LYS 51 41.301 21.006 3.767 373 HZ1 LYS 51 HZ3 LYS 51 39.544 22.711 4.276 374 HZ2 LYS 51 HZ1 LYS 51 38.496 21.818 3.286 375 HZ3 LYS 51 HZ2 LYS 51 39.908 22.497 2.629 376 H ASP 52 HN ASP 52 39.202 18.866 -2.427 377 HA ASP 52 HA ASP 52 38.392 21.542 -2.661 378 HB2 ASP 52 HB2 ASP 52 38.200 19.288 -4.672 379 HB3 ASP 52 HB1 ASP 52 37.954 20.992 -5.053 380 H TYR 53 HN TYR 53 36.472 18.700 -3.630 381 HA TYR 53 HA TYR 53 34.048 20.051 -3.860 382 HD1 TYR 53 HD1 TYR 53 32.331 18.768 -5.635 383 HD2 TYR 53 HD2 TYR 53 36.152 16.878 -5.112 384 HE1 TYR 53 HE1 TYR 53 32.595 18.622 -8.095 385 HE2 TYR 53 HE2 TYR 53 36.418 16.734 -7.572 386 HH TYR 53 HH TYR 53 35.605 17.694 -9.565 387 HB2 TYR 53 HB2 TYR 53 34.677 17.164 -3.247 388 HB3 TYR 53 HB1 TYR 53 33.026 17.742 -3.461 389 H TRP 54 HN TRP 54 35.362 18.268 -1.049 390 HA TRP 54 HA TRP 54 33.183 18.594 0.657 391 HD1 TRP 54 HD1 TRP 54 34.536 17.076 4.012 392 HE1 TRP 54 HE1 TRP 54 33.510 14.717 3.883 393 HE3 TRP 54 HE3 TRP 54 34.522 16.399 -1.048 394 HZ2 TRP 54 HZ2 TRP 54 32.776 12.797 1.897 395 HZ3 TRP 54 HZ3 TRP 54 33.652 14.297 -2.032 396 HH2 TRP 54 HH2 TRP 54 32.781 12.496 -0.566 397 HB2 TRP 54 HB2 TRP 54 36.082 18.058 0.957 398 HB3 TRP 54 HB1 TRP 54 35.348 18.791 2.373 399 H SER 55 HN SER 55 36.109 20.632 0.548 400 HA SER 55 HA SER 55 35.293 22.611 2.266 401 HG SER 55 HG SER 55 36.075 24.899 0.862 402 HB2 SER 55 HB2 SER 55 37.543 22.517 1.267 403 HB3 SER 55 HB1 SER 55 36.875 23.002 -0.288 404 H THR 56 HN THR 56 34.543 22.275 -1.164 405 HA THR 56 HA THR 56 32.974 24.717 -1.220 406 HB THR 56 HB THR 56 32.363 23.996 -3.492 407 HG1 THR 56 HG1 THR 56 32.249 21.853 -3.458 408 HG21 THR 56 HG23 THR 56 35.265 23.763 -2.682 409 HG22 THR 56 HG21 THR 56 34.429 25.191 -3.288 410 HG23 THR 56 HG22 THR 56 34.742 23.830 -4.366 411 H VAL 57 HN VAL 57 31.920 21.463 -2.181 412 HA VAL 57 HA VAL 57 29.252 21.646 -1.900 413 HB VAL 57 HB VAL 57 30.941 19.317 -0.960 414 HG11 VAL 57 HG11 VAL 57 28.800 18.031 -1.511 415 HG12 VAL 57 HG12 VAL 57 27.975 19.590 -1.501 416 HG13 VAL 57 HG13 VAL 57 28.760 18.998 -0.037 417 HG21 VAL 57 HG23 VAL 57 29.474 19.725 -3.580 418 HG22 VAL 57 HG21 VAL 57 30.623 18.448 -3.180 419 HG23 VAL 57 HG22 VAL 57 31.180 20.112 -3.359 420 H LYS 58 HN LYS 58 31.161 20.329 0.847 421 HA LYS 58 HA LYS 58 29.295 20.342 2.802 422 HB2 LYS 58 HB2 LYS 58 31.830 19.797 2.900 423 HB3 LYS 58 HB1 LYS 58 32.032 21.487 3.358 424 HG2 LYS 58 HG2 LYS 58 30.528 21.180 5.263 425 HG3 LYS 58 HG1 LYS 58 30.225 19.511 4.785 426 HD2 LYS 58 HD2 LYS 58 32.604 18.973 5.101 427 HD3 LYS 58 HD1 LYS 58 32.928 20.646 5.559 428 HE2 LYS 58 HE2 LYS 58 32.684 19.349 7.591 429 HE3 LYS 58 HE1 LYS 58 31.267 20.387 7.426 430 HZ1 LYS 58 HZ3 LYS 58 29.993 18.582 6.609 431 HZ2 LYS 58 HZ1 LYS 58 30.774 18.031 8.010 432 HZ3 LYS 58 HZ2 LYS 58 31.358 17.578 6.480 433 H ASP 59 HN ASP 59 31.478 23.128 2.325 434 HA ASP 59 HA ASP 59 30.059 24.890 3.976 435 HB2 ASP 59 HB2 ASP 59 32.358 25.311 3.196 436 HB3 ASP 59 HB1 ASP 59 31.758 25.542 1.555 437 H LYS 60 HN LYS 60 29.812 24.347 0.462 438 HA LYS 60 HA LYS 60 27.889 26.354 0.000 439 HB2 LYS 60 HB2 LYS 60 29.339 25.190 -1.719 440 HB3 LYS 60 HB1 LYS 60 28.288 23.787 -1.557 441 HG2 LYS 60 HG2 LYS 60 26.366 25.082 -2.300 442 HG3 LYS 60 HG1 LYS 60 27.334 26.554 -2.338 443 HD2 LYS 60 HD2 LYS 60 28.781 25.550 -4.079 444 HD3 LYS 60 HD1 LYS 60 27.792 24.088 -4.050 445 HE2 LYS 60 HE2 LYS 60 25.819 25.386 -4.722 446 HE3 LYS 60 HE1 LYS 60 26.775 26.868 -4.713 447 HZ1 LYS 60 HZ3 LYS 60 26.412 25.573 -6.912 448 HZ2 LYS 60 HZ1 LYS 60 27.661 24.583 -6.335 449 HZ3 LYS 60 HZ2 LYS 60 27.936 26.244 -6.569 450 H PHE 61 HN PHE 61 27.617 23.441 1.662 451 HA PHE 61 HA PHE 61 25.003 22.652 0.939 452 HD1 PHE 61 HD2 PHE 61 24.715 20.013 1.283 453 HD2 PHE 61 HD1 PHE 61 24.301 22.156 4.982 454 HE1 PHE 61 HE2 PHE 61 22.685 18.696 1.819 455 HE2 PHE 61 HE1 PHE 61 22.271 20.838 5.519 456 HZ PHE 61 HZ PHE 61 21.462 19.108 3.936 457 HB2 PHE 61 HB2 PHE 61 26.621 21.315 2.337 458 HB3 PHE 61 HB1 PHE 61 26.270 22.405 3.676 459 H SER 62 HN SER 62 26.244 25.318 2.720 460 HA SER 62 HA SER 62 23.857 25.852 4.254 461 HG SER 62 HG SER 62 26.795 26.022 4.982 462 HB2 SER 62 HB2 SER 62 26.231 27.595 3.585 463 HB3 SER 62 HB1 SER 62 24.903 28.087 4.638 464 H GLU 63 HN GLU 63 25.298 27.348 1.370 465 HA GLU 63 HA GLU 63 23.035 29.051 0.889 466 HB2 GLU 63 HB2 GLU 63 25.380 28.317 -0.880 467 HB3 GLU 63 HB1 GLU 63 24.205 29.585 -1.223 468 HG2 GLU 63 HG2 GLU 63 25.948 30.777 -0.205 469 HG3 GLU 63 HG1 GLU 63 24.841 30.504 1.136 470 H PHE 64 HN PHE 64 24.138 25.933 -0.373 471 HA PHE 64 HA PHE 64 22.523 25.707 -2.603 472 HD1 PHE 64 HD2 PHE 64 23.198 23.970 -4.326 473 HD2 PHE 64 HD1 PHE 64 21.652 21.834 -0.935 474 HE1 PHE 64 HE2 PHE 64 21.993 22.428 -5.847 475 HE2 PHE 64 HE1 PHE 64 20.446 20.291 -2.458 476 HZ PHE 64 HZ PHE 64 20.616 20.589 -4.914 477 HB2 PHE 64 HB2 PHE 64 24.254 24.071 -1.958 478 HB3 PHE 64 HB1 PHE 64 23.247 23.542 -0.610 479 H TRP 65 HN TRP 65 21.520 26.170 0.574 480 HA TRP 65 HA TRP 65 19.085 24.606 0.447 481 HD1 TRP 65 HD1 TRP 65 17.622 27.614 3.305 482 HE1 TRP 65 HE1 TRP 65 15.475 26.446 4.126 483 HE3 TRP 65 HE3 TRP 65 18.711 22.788 2.048 484 HZ2 TRP 65 HZ2 TRP 65 14.367 23.811 4.233 485 HZ3 TRP 65 HZ3 TRP 65 17.096 20.970 2.518 486 HH2 TRP 65 HH2 TRP 65 14.927 21.475 3.609 487 HB2 TRP 65 HB2 TRP 65 20.244 25.163 2.584 488 HB3 TRP 65 HB1 TRP 65 19.834 26.858 2.326 489 H ASP 66 HN ASP 66 19.861 28.092 0.365 490 HA ASP 66 HA ASP 66 17.162 28.791 -0.557 491 HB2 ASP 66 HB2 ASP 66 19.644 30.418 0.078 492 HB3 ASP 66 HB1 ASP 66 18.161 31.126 -0.559 493 H LEU 67 HN LEU 67 16.678 28.509 -2.573 494 HA LEU 67 HA LEU 67 18.690 28.650 -4.682 495 HG LEU 67 HG LEU 67 18.466 26.485 -5.595 496 HB2 LEU 67 HB2 LEU 67 15.872 27.613 -4.514 497 HB3 LEU 67 HB1 LEU 67 16.570 27.991 -6.085 498 HD11 LEU 67 HD11 LEU 67 16.948 26.090 -3.006 499 HD12 LEU 67 HD12 LEU 67 18.615 26.631 -3.206 500 HD13 LEU 67 HD13 LEU 67 18.179 24.962 -3.572 501 HD21 LEU 67 HD23 LEU 67 15.718 25.265 -5.187 502 HD22 LEU 67 HD21 LEU 67 17.160 24.359 -5.645 503 HD23 LEU 67 HD22 LEU 67 16.497 25.575 -6.737 504 H ASP 68 HN ASP 68 17.360 29.552 -6.807 505 HA ASP 68 HA ASP 68 17.627 32.308 -6.639 506 HB2 ASP 68 HB2 ASP 68 15.796 31.822 -8.752 507 HB3 ASP 68 HB1 ASP 68 17.549 31.896 -8.884 508 HA PRO 69 HA PRO 69 14.101 34.205 -4.896 509 HB2 PRO 69 HB2 PRO 69 12.938 35.406 -7.266 510 HB3 PRO 69 HB1 PRO 69 13.938 36.180 -6.029 511 HG2 PRO 69 HG2 PRO 69 14.705 35.177 -8.690 512 HG3 PRO 69 HG1 PRO 69 15.503 36.382 -7.664 513 HD2 PRO 69 HD2 PRO 69 16.543 33.908 -8.063 514 HD3 PRO 69 HD1 PRO 69 16.771 34.794 -6.550 515 H GLU 70 HN GLU 70 13.780 31.918 -7.407 516 HA GLU 70 HA GLU 70 10.951 31.397 -6.634 517 HB2 GLU 70 HB2 GLU 70 12.230 31.123 -9.367 518 HB3 GLU 70 HB1 GLU 70 10.597 30.600 -8.955 519 HG2 GLU 70 HG2 GLU 70 11.610 33.448 -8.682 520 HG3 GLU 70 HG1 GLU 70 10.654 32.856 -10.038 521 H VAL 71 HN VAL 71 11.085 29.675 -5.359 522 HA VAL 71 HA VAL 71 12.999 27.529 -5.965 523 HB VAL 71 HB VAL 71 12.403 26.666 -3.768 524 HG11 VAL 71 HG11 VAL 71 13.382 28.377 -2.477 525 HG12 VAL 71 HG12 VAL 71 12.598 29.654 -3.406 526 HG13 VAL 71 HG13 VAL 71 13.928 28.746 -4.111 527 HG21 VAL 71 HG23 VAL 71 10.181 26.968 -3.201 528 HG22 VAL 71 HG21 VAL 71 10.048 28.475 -4.106 529 HG23 VAL 71 HG22 VAL 71 10.749 28.474 -2.490 530 H ARG 72 HN ARG 72 12.000 26.705 -7.849 531 HA ARG 72 HA ARG 72 9.513 25.225 -7.296 532 HE ARG 72 HE ARG 72 7.813 29.794 -8.358 533 HB2 ARG 72 HB2 ARG 72 10.192 26.427 -9.968 534 HB3 ARG 72 HB1 ARG 72 8.702 25.599 -9.507 535 HG2 ARG 72 HG2 ARG 72 8.310 27.332 -7.768 536 HG3 ARG 72 HG1 ARG 72 9.731 28.201 -8.347 537 HD2 ARG 72 HD2 ARG 72 8.680 28.311 -10.610 538 HD3 ARG 72 HD1 ARG 72 7.234 27.560 -9.938 539 HH11 ARG 72 HH21 ARG 72 6.869 28.964 -11.578 540 HH12 ARG 72 HH22 ARG 72 6.089 30.479 -11.889 541 HH21 ARG 72 HH11 ARG 72 6.840 31.805 -8.774 542 HH22 ARG 72 HH12 ARG 72 6.073 32.087 -10.301 543 HA PRO 73 HA PRO 73 11.825 21.733 -8.774 544 HB2 PRO 73 HB2 PRO 73 9.504 20.278 -9.730 545 HB3 PRO 73 HB1 PRO 73 10.384 20.042 -8.215 546 HG2 PRO 73 HG2 PRO 73 7.798 21.037 -8.447 547 HG3 PRO 73 HG1 PRO 73 8.837 21.186 -7.022 548 HD2 PRO 73 HD2 PRO 73 8.180 23.231 -9.095 549 HD3 PRO 73 HD1 PRO 73 8.596 23.429 -7.385 550 H THR 74 HN THR 74 9.714 23.549 -10.831 551 HA THR 74 HA THR 74 10.392 22.147 -13.271 552 HB THR 74 HB THR 74 8.938 24.758 -12.835 553 HG1 THR 74 HG1 THR 74 7.157 23.326 -13.405 554 HG21 THR 74 HG23 THR 74 9.828 24.721 -15.075 555 HG22 THR 74 HG21 THR 74 8.122 24.290 -15.180 556 HG23 THR 74 HG22 THR 74 9.356 23.035 -15.289 557 H SER 75 HN SER 75 10.773 25.552 -12.419 558 HA SER 75 HA SER 75 12.642 26.134 -14.394 559 HG SER 75 HG SER 75 13.403 28.993 -13.386 560 HB2 SER 75 HB2 SER 75 11.596 27.970 -13.333 561 HB3 SER 75 HB1 SER 75 12.038 27.397 -11.726 562 H ALA 76 HN ALA 76 13.104 24.978 -11.069 563 HA ALA 76 HA ALA 76 15.868 25.291 -10.875 564 HB1 ALA 76 HB3 ALA 76 14.151 23.051 -9.785 565 HB2 ALA 76 HB1 ALA 76 14.491 24.583 -8.982 566 HB3 ALA 76 HB2 ALA 76 15.791 23.424 -9.257 567 H VAL 77 HN VAL 77 14.186 22.266 -11.753 568 HA VAL 77 HA VAL 77 16.488 20.936 -12.662 569 HB VAL 77 HB VAL 77 13.588 20.567 -13.450 570 HG11 VAL 77 HG11 VAL 77 14.409 18.239 -14.088 571 HG12 VAL 77 HG12 VAL 77 16.045 18.898 -14.033 572 HG13 VAL 77 HG13 VAL 77 14.872 19.540 -15.184 573 HG21 VAL 77 HG23 VAL 77 15.376 19.094 -11.490 574 HG22 VAL 77 HG21 VAL 77 13.697 18.692 -11.851 575 HG23 VAL 77 HG22 VAL 77 14.088 20.219 -11.058 576 H ALA 78 HN ALA 78 13.994 22.697 -14.534 577 HA ALA 78 HA ALA 78 15.299 22.393 -17.036 578 HB1 ALA 78 HB3 ALA 78 13.382 24.590 -16.238 579 HB2 ALA 78 HB1 ALA 78 12.865 22.960 -16.668 580 HB3 ALA 78 HB2 ALA 78 13.689 23.965 -17.859 581 H ALA 79 HN ALA 79 16.112 24.150 -14.330 582 HA ALA 79 HA ALA 79 18.326 25.432 -15.533 583 HB1 ALA 79 HB3 ALA 79 15.873 27.132 -15.097 584 HB2 ALA 79 HB1 ALA 79 16.854 26.982 -16.556 585 HB3 ALA 79 HB2 ALA 79 17.497 27.820 -15.143 Start of MODEL 3 1 HA SER 1 HA SER 1 1.428 -26.181 15.355 2 HG SER 1 HG SER 1 3.489 -26.286 15.949 3 H1 SER 1 HT1 SER 1 -0.172 -27.026 14.113 4 H2 SER 1 HT2 SER 1 0.965 -27.917 13.219 5 H3 SER 1 HT3 SER 1 0.515 -26.358 12.715 6 HB2 SER 1 HB2 SER 1 2.581 -28.338 14.769 7 HB3 SER 1 HB1 SER 1 3.392 -27.493 13.453 8 H GLU 2 HN GLU 2 0.429 -24.717 13.010 9 HA GLU 2 HA GLU 2 2.306 -22.537 13.069 10 HB2 GLU 2 HB2 GLU 2 3.284 -24.072 11.330 11 HB3 GLU 2 HB1 GLU 2 1.810 -23.850 10.389 12 HG2 GLU 2 HG2 GLU 2 3.403 -22.260 9.555 13 HG3 GLU 2 HG1 GLU 2 2.235 -21.349 10.509 14 H ALA 3 HN ALA 3 1.114 -20.741 13.065 15 HA ALA 3 HA ALA 3 -1.670 -20.737 12.664 16 HB1 ALA 3 HB3 ALA 3 -1.514 -18.322 12.952 17 HB2 ALA 3 HB1 ALA 3 0.226 -18.377 12.676 18 HB3 ALA 3 HB2 ALA 3 -0.461 -19.124 14.118 19 H GLU 4 HN GLU 4 -2.510 -21.149 10.759 20 HA GLU 4 HA GLU 4 -1.308 -20.579 8.251 21 HB2 GLU 4 HB2 GLU 4 -2.998 -22.365 8.595 22 HB3 GLU 4 HB1 GLU 4 -4.223 -21.126 8.867 23 HG2 GLU 4 HG2 GLU 4 -3.915 -20.254 6.621 24 HG3 GLU 4 HG1 GLU 4 -2.568 -21.354 6.337 25 H ASP 5 HN ASP 5 -3.068 -18.653 10.461 26 HA ASP 5 HA ASP 5 -4.322 -16.823 8.716 27 HB2 ASP 5 HB2 ASP 5 -3.291 -16.559 11.542 28 HB3 ASP 5 HB1 ASP 5 -4.125 -15.248 10.710 29 H ALA 6 HN ALA 6 -1.042 -17.013 9.986 30 HA ALA 6 HA ALA 6 -0.110 -14.501 9.343 31 HB1 ALA 6 HB3 ALA 6 1.105 -16.427 10.541 32 HB2 ALA 6 HB1 ALA 6 2.073 -15.409 9.475 33 HB3 ALA 6 HB2 ALA 6 1.536 -16.997 8.930 34 H SER 7 HN SER 7 0.112 -13.466 7.544 35 HA SER 7 HA SER 7 -0.527 -14.615 5.014 36 HG SER 7 HG SER 7 -1.956 -12.276 4.756 37 HB2 SER 7 HB2 SER 7 0.580 -11.904 5.771 38 HB3 SER 7 HB1 SER 7 0.073 -12.352 4.145 39 H LEU 8 HN LEU 8 0.991 -13.904 3.150 40 HA LEU 8 HA LEU 8 3.231 -15.577 3.146 41 HG LEU 8 HG LEU 8 0.800 -14.596 1.409 42 HB2 LEU 8 HB2 LEU 8 2.806 -13.156 1.388 43 HB3 LEU 8 HB1 LEU 8 3.809 -14.560 1.032 44 HD11 LEU 8 HD11 LEU 8 0.854 -15.195 -1.041 45 HD12 LEU 8 HD12 LEU 8 2.573 -14.803 -1.040 46 HD13 LEU 8 HD13 LEU 8 1.383 -13.549 -0.691 47 HD21 LEU 8 HD23 LEU 8 1.220 -16.965 0.364 48 HD22 LEU 8 HD21 LEU 8 1.523 -16.736 2.085 49 HD23 LEU 8 HD22 LEU 8 2.870 -16.748 0.946 50 H LEU 9 HN LEU 9 2.935 -12.843 4.967 51 HA LEU 9 HA LEU 9 5.547 -11.687 4.546 52 HG LEU 9 HG LEU 9 2.556 -10.808 4.569 53 HB2 LEU 9 HB2 LEU 9 3.547 -11.279 6.782 54 HB3 LEU 9 HB1 LEU 9 4.914 -10.235 6.391 55 HD11 LEU 9 HD11 LEU 9 2.011 -8.415 4.977 56 HD12 LEU 9 HD12 LEU 9 3.319 -8.339 6.157 57 HD13 LEU 9 HD13 LEU 9 1.927 -9.380 6.451 58 HD21 LEU 9 HD23 LEU 9 3.668 -8.745 3.372 59 HD22 LEU 9 HD21 LEU 9 4.327 -10.355 3.101 60 HD23 LEU 9 HD22 LEU 9 5.120 -9.256 4.231 61 H SER 10 HN SER 10 4.368 -14.426 6.056 62 HA SER 10 HA SER 10 5.891 -14.446 8.455 63 HG SER 10 HG SER 10 5.389 -17.426 9.271 64 HB2 SER 10 HB2 SER 10 4.128 -16.005 8.432 65 HB3 SER 10 HB1 SER 10 4.579 -16.615 6.841 66 H PHE 11 HN PHE 11 6.446 -16.314 5.506 67 HA PHE 11 HA PHE 11 8.856 -17.430 6.017 68 HD1 PHE 11 HD1 PHE 11 9.239 -19.475 4.164 69 HD2 PHE 11 HD2 PHE 11 5.810 -17.001 3.413 70 HE1 PHE 11 HE1 PHE 11 7.844 -21.502 3.863 71 HE2 PHE 11 HE2 PHE 11 4.413 -19.028 3.112 72 HZ PHE 11 HZ PHE 11 5.430 -21.278 3.335 73 HB2 PHE 11 HB2 PHE 11 8.015 -16.045 3.464 74 HB3 PHE 11 HB1 PHE 11 9.453 -17.059 3.591 75 H MET 12 HN MET 12 8.469 -14.118 4.761 76 HA MET 12 HA MET 12 11.211 -13.431 4.945 77 HB2 MET 12 HB2 MET 12 8.734 -11.700 4.917 78 HB3 MET 12 HB1 MET 12 10.377 -11.077 4.786 79 HG2 MET 12 HG2 MET 12 10.750 -12.382 2.755 80 HG3 MET 12 HG1 MET 12 9.155 -13.118 2.906 81 HE1 MET 12 HE3 MET 12 10.287 -8.920 1.524 82 HE2 MET 12 HE1 MET 12 11.310 -10.349 1.735 83 HE3 MET 12 HE2 MET 12 10.731 -9.458 3.140 84 H GLN 13 HN GLN 13 8.485 -12.800 7.103 85 HA GLN 13 HA GLN 13 9.571 -11.221 9.037 86 HB2 GLN 13 HB2 GLN 13 7.264 -12.101 9.122 87 HB3 GLN 13 HB1 GLN 13 7.896 -13.672 9.615 88 HG2 GLN 13 HG2 GLN 13 8.836 -12.722 11.640 89 HG3 GLN 13 HG1 GLN 13 8.393 -11.094 11.127 90 HE21 GLN 13 HE21 GLN 13 7.418 -12.101 13.590 91 HE22 GLN 13 HE22 GLN 13 5.745 -12.360 13.454 92 H GLY 14 HN GLY 14 9.687 -14.784 9.255 93 HA2 GLY 14 HA2 GLY 14 11.571 -14.814 11.364 94 HA3 GLY 14 HA1 GLY 14 11.132 -16.185 10.355 95 H TYR 15 HN TYR 15 11.906 -14.874 7.865 96 HA TYR 15 HA TYR 15 14.508 -15.789 7.618 97 HD1 TYR 15 HD2 TYR 15 14.778 -16.813 5.055 98 HD2 TYR 15 HD1 TYR 15 15.332 -12.558 5.236 99 HE1 TYR 15 HE2 TYR 15 16.810 -17.018 3.650 100 HE2 TYR 15 HE1 TYR 15 17.364 -12.762 3.828 101 HH TYR 15 HH TYR 15 18.102 -15.502 2.066 102 HB2 TYR 15 HB2 TYR 15 12.941 -15.255 5.726 103 HB3 TYR 15 HB1 TYR 15 13.290 -13.550 5.997 104 H MET 16 HN MET 16 13.639 -12.379 7.639 105 HA MET 16 HA MET 16 16.240 -11.432 7.972 106 HB2 MET 16 HB2 MET 16 14.205 -10.044 7.426 107 HB3 MET 16 HB1 MET 16 13.722 -10.186 9.115 108 HG2 MET 16 HG2 MET 16 14.883 -8.095 8.905 109 HG3 MET 16 HG1 MET 16 15.972 -9.200 9.738 110 HE1 MET 16 HE3 MET 16 16.162 -6.432 7.437 111 HE2 MET 16 HE1 MET 16 14.977 -7.406 6.553 112 HE3 MET 16 HE2 MET 16 16.544 -7.047 5.831 113 H LYS 17 HN LYS 17 13.931 -12.704 10.305 114 HA LYS 17 HA LYS 17 15.327 -11.814 12.622 115 HB2 LYS 17 HB2 LYS 17 12.980 -12.644 12.643 116 HB3 LYS 17 HB1 LYS 17 13.592 -14.269 12.356 117 HG2 LYS 17 HG2 LYS 17 14.880 -14.200 14.421 118 HG3 LYS 17 HG1 LYS 17 14.366 -12.536 14.709 119 HD2 LYS 17 HD2 LYS 17 12.011 -13.281 14.790 120 HD3 LYS 17 HD1 LYS 17 12.534 -14.945 14.531 121 HE2 LYS 17 HE2 LYS 17 13.837 -14.874 16.619 122 HE3 LYS 17 HE1 LYS 17 13.336 -13.201 16.878 123 HZ1 LYS 17 HZ3 LYS 17 11.088 -14.843 16.369 124 HZ2 LYS 17 HZ1 LYS 17 11.424 -13.886 17.726 125 HZ3 LYS 17 HZ2 LYS 17 11.994 -15.485 17.656 126 H HIS 18 HN HIS 18 15.403 -14.859 10.794 127 HA HIS 18 HA HIS 18 17.472 -16.012 12.414 128 HD1 HIS 18 HD1 HIS 18 17.778 -18.548 12.830 129 HD2 HIS 18 HD2 HIS 18 18.518 -18.406 8.730 130 HE1 HIS 18 HE1 HIS 18 19.592 -20.255 12.371 131 HB2 HIS 18 HB2 HIS 18 15.827 -17.397 11.230 132 HB3 HIS 18 HB1 HIS 18 16.461 -16.828 9.686 133 H ALA 19 HN ALA 19 17.419 -14.650 9.080 134 HA ALA 19 HA ALA 19 20.110 -15.112 8.524 135 HB1 ALA 19 HB3 ALA 19 18.466 -12.769 7.557 136 HB2 ALA 19 HB1 ALA 19 18.375 -14.392 6.872 137 HB3 ALA 19 HB2 ALA 19 19.875 -13.471 6.760 138 H THR 20 HN THR 20 18.707 -12.812 10.595 139 HA THR 20 HA THR 20 20.848 -10.916 10.596 140 HB THR 20 HB THR 20 18.731 -11.600 12.653 141 HG1 THR 20 HG1 THR 20 19.069 -9.505 10.778 142 HG21 THR 20 HG23 THR 20 20.486 -10.631 13.921 143 HG22 THR 20 HG21 THR 20 19.387 -9.297 13.571 144 HG23 THR 20 HG22 THR 20 20.876 -9.478 12.645 145 H LYS 21 HN LYS 21 20.417 -14.060 11.868 146 HA LYS 21 HA LYS 21 22.309 -13.913 14.009 147 HB2 LYS 21 HB2 LYS 21 21.298 -16.320 12.486 148 HB3 LYS 21 HB1 LYS 21 22.273 -16.390 13.949 149 HG2 LYS 21 HG2 LYS 21 19.689 -14.835 13.909 150 HG3 LYS 21 HG1 LYS 21 19.684 -16.574 14.183 151 HD2 LYS 21 HD2 LYS 21 21.226 -16.270 16.101 152 HD3 LYS 21 HD1 LYS 21 21.195 -14.528 15.847 153 HE2 LYS 21 HE2 LYS 21 19.591 -15.024 17.569 154 HE3 LYS 21 HE1 LYS 21 18.693 -14.609 16.109 155 HZ1 LYS 21 HZ3 LYS 21 18.382 -16.875 17.576 156 HZ2 LYS 21 HZ1 LYS 21 19.332 -17.397 16.272 157 HZ3 LYS 21 HZ2 LYS 21 17.837 -16.641 15.984 158 H THR 22 HN THR 22 22.532 -14.715 10.595 159 HA THR 22 HA THR 22 25.140 -15.766 10.590 160 HB THR 22 HB THR 22 25.158 -15.190 8.193 161 HG1 THR 22 HG1 THR 22 23.164 -14.138 7.465 162 HG21 THR 22 HG23 THR 22 23.098 -16.433 7.594 163 HG22 THR 22 HG21 THR 22 22.505 -16.210 9.240 164 HG23 THR 22 HG22 THR 22 23.945 -17.184 8.947 165 H ALA 23 HN ALA 23 24.135 -12.600 11.246 166 HA ALA 23 HA ALA 23 26.045 -10.941 10.199 167 HB1 ALA 23 HB3 ALA 23 24.980 -10.817 13.029 168 HB2 ALA 23 HB1 ALA 23 24.104 -10.241 11.611 169 HB3 ALA 23 HB2 ALA 23 25.622 -9.475 12.081 170 H LYS 24 HN LYS 24 26.251 -12.743 13.292 171 HA LYS 24 HA LYS 24 28.779 -11.987 14.110 172 HB2 LYS 24 HB2 LYS 24 27.422 -14.690 14.300 173 HB3 LYS 24 HB1 LYS 24 28.867 -14.240 15.206 174 HG2 LYS 24 HG2 LYS 24 27.678 -12.431 16.310 175 HG3 LYS 24 HG1 LYS 24 26.258 -12.702 15.304 176 HD2 LYS 24 HD2 LYS 24 25.763 -13.767 17.376 177 HD3 LYS 24 HD1 LYS 24 26.195 -15.073 16.275 178 HE2 LYS 24 HE2 LYS 24 28.386 -15.272 17.234 179 HE3 LYS 24 HE1 LYS 24 28.198 -13.771 18.138 180 HZ1 LYS 24 HZ3 LYS 24 27.762 -15.412 19.691 181 HZ2 LYS 24 HZ1 LYS 24 26.901 -16.379 18.597 182 HZ3 LYS 24 HZ2 LYS 24 26.206 -14.947 19.192 183 H ASP 25 HN ASP 25 28.291 -15.136 12.720 184 HA ASP 25 HA ASP 25 30.832 -15.776 11.988 185 HB2 ASP 25 HB2 ASP 25 28.277 -16.450 10.515 186 HB3 ASP 25 HB1 ASP 25 29.840 -17.141 10.084 187 H ALA 26 HN ALA 26 28.525 -13.823 10.171 188 HA ALA 26 HA ALA 26 30.208 -13.378 7.913 189 HB1 ALA 26 HB3 ALA 26 27.978 -11.637 8.987 190 HB2 ALA 26 HB1 ALA 26 27.739 -13.019 7.919 191 HB3 ALA 26 HB2 ALA 26 28.639 -11.613 7.352 192 H LEU 27 HN LEU 27 29.601 -11.625 10.975 193 HA LEU 27 HA LEU 27 31.168 -9.349 10.393 194 HG LEU 27 HG LEU 27 28.877 -9.113 11.385 195 HB2 LEU 27 HB2 LEU 27 30.352 -10.662 12.971 196 HB3 LEU 27 HB1 LEU 27 31.427 -9.270 12.984 197 HD11 LEU 27 HD11 LEU 27 27.982 -9.873 13.461 198 HD12 LEU 27 HD12 LEU 27 27.831 -8.117 13.507 199 HD13 LEU 27 HD13 LEU 27 29.130 -8.912 14.393 200 HD21 LEU 27 HD23 LEU 27 30.521 -7.283 11.245 201 HD22 LEU 27 HD21 LEU 27 30.500 -7.117 13.000 202 HD23 LEU 27 HD22 LEU 27 29.061 -6.729 12.061 203 H SER 28 HN SER 28 32.074 -12.376 11.923 204 HA SER 28 HA SER 28 34.755 -11.735 12.484 205 HG SER 28 HG SER 28 33.919 -14.706 10.673 206 HB2 SER 28 HB2 SER 28 35.148 -14.177 12.474 207 HB3 SER 28 HB1 SER 28 33.670 -13.774 13.346 208 H SER 29 HN SER 29 33.085 -12.555 9.597 209 HA SER 29 HA SER 29 35.445 -13.156 8.014 210 HG SER 29 HG SER 29 34.394 -14.354 5.896 211 HB2 SER 29 HB2 SER 29 33.053 -13.891 7.474 212 HB3 SER 29 HB1 SER 29 32.821 -12.261 6.844 213 H VAL 30 HN VAL 30 34.527 -10.283 9.354 214 HA VAL 30 HA VAL 30 34.657 -8.391 7.309 215 HB VAL 30 HB VAL 30 35.536 -6.822 9.073 216 HG11 VAL 30 HG11 VAL 30 33.389 -7.494 10.630 217 HG12 VAL 30 HG12 VAL 30 33.014 -8.408 9.169 218 HG13 VAL 30 HG13 VAL 30 33.246 -6.666 9.082 219 HG21 VAL 30 HG23 VAL 30 35.224 -8.079 11.456 220 HG22 VAL 30 HG21 VAL 30 36.785 -7.967 10.650 221 HG23 VAL 30 HG22 VAL 30 35.829 -9.436 10.514 222 H GLN 31 HN GLN 31 37.015 -10.590 7.898 223 HA GLN 31 HA GLN 31 39.476 -9.395 7.957 224 HB2 GLN 31 HB2 GLN 31 38.569 -11.632 6.126 225 HB3 GLN 31 HB1 GLN 31 40.256 -11.211 6.409 226 HG2 GLN 31 HG2 GLN 31 40.029 -11.704 8.782 227 HG3 GLN 31 HG1 GLN 31 38.301 -11.997 8.587 228 HE21 GLN 31 HE21 GLN 31 41.316 -13.563 8.659 229 HE22 GLN 31 HE22 GLN 31 40.851 -15.015 7.910 230 H GLU 32 HN GLU 32 37.091 -8.871 5.590 231 HA GLU 32 HA GLU 32 38.860 -8.046 3.484 232 HB2 GLU 32 HB2 GLU 32 36.814 -7.106 2.471 233 HB3 GLU 32 HB1 GLU 32 36.550 -8.763 3.016 234 HG2 GLU 32 HG2 GLU 32 35.556 -7.898 5.117 235 HG3 GLU 32 HG1 GLU 32 35.766 -6.252 4.524 236 H SER 33 HN SER 33 38.211 -6.846 6.504 237 HA SER 33 HA SER 33 37.889 -4.095 6.129 238 HG SER 33 HG SER 33 39.280 -3.599 9.351 239 HB2 SER 33 HB2 SER 33 37.681 -5.193 8.332 240 HB3 SER 33 HB1 SER 33 39.417 -5.496 8.334 241 H GLN 34 HN GLN 34 40.517 -6.172 5.493 242 HA GLN 34 HA GLN 34 42.751 -4.571 5.872 243 HB2 GLN 34 HB2 GLN 34 42.142 -6.524 3.654 244 HB3 GLN 34 HB1 GLN 34 43.727 -5.784 3.889 245 HG2 GLN 34 HG2 GLN 34 43.859 -6.706 6.149 246 HG3 GLN 34 HG1 GLN 34 42.239 -7.383 5.990 247 HE21 GLN 34 HE21 GLN 34 43.882 -9.349 6.545 248 HE22 GLN 34 HE22 GLN 34 44.408 -10.208 5.178 249 H VAL 35 HN VAL 35 40.096 -3.852 3.898 250 HA VAL 35 HA VAL 35 40.997 -2.633 1.635 251 HB VAL 35 HB VAL 35 39.163 -0.872 2.107 252 HG11 VAL 35 HG11 VAL 35 38.518 -2.656 0.722 253 HG12 VAL 35 HG12 VAL 35 37.374 -2.785 2.057 254 HG13 VAL 35 HG13 VAL 35 38.771 -3.859 1.986 255 HG21 VAL 35 HG23 VAL 35 37.773 -1.228 4.016 256 HG22 VAL 35 HG21 VAL 35 39.426 -1.247 4.632 257 HG23 VAL 35 HG22 VAL 35 38.558 -2.760 4.385 258 H ALA 36 HN ALA 36 42.022 -1.841 4.752 259 HA ALA 36 HA ALA 36 42.508 0.914 4.755 260 HB1 ALA 36 HB3 ALA 36 43.137 -0.381 6.689 261 HB2 ALA 36 HB1 ALA 36 44.624 0.308 6.032 262 HB3 ALA 36 HB2 ALA 36 44.227 -1.383 5.731 263 H GLN 37 HN GLN 37 44.904 -1.510 3.753 264 HA GLN 37 HA GLN 37 46.755 0.051 2.530 265 HB2 GLN 37 HB2 GLN 37 45.673 -2.581 1.504 266 HB3 GLN 37 HB1 GLN 37 47.099 -1.793 0.829 267 HG2 GLN 37 HG2 GLN 37 48.208 -1.858 3.013 268 HG3 GLN 37 HG1 GLN 37 46.769 -2.566 3.744 269 HE21 GLN 37 HE21 GLN 37 49.768 -3.400 2.526 270 HE22 GLN 37 HE22 GLN 37 49.449 -5.014 2.105 271 H GLN 38 HN GLN 38 43.614 -0.881 1.134 272 HA GLN 38 HA GLN 38 43.958 0.350 -1.386 273 HB2 GLN 38 HB2 GLN 38 42.043 -1.224 -0.339 274 HB3 GLN 38 HB1 GLN 38 41.258 0.327 -0.064 275 HG2 GLN 38 HG2 GLN 38 40.511 -0.355 -2.203 276 HG3 GLN 38 HG1 GLN 38 41.768 0.839 -2.529 277 HE21 GLN 38 HE21 GLN 38 41.502 -2.719 -1.994 278 HE22 GLN 38 HE22 GLN 38 42.652 -3.126 -3.175 279 H ALA 39 HN ALA 39 42.204 1.460 1.475 280 HA ALA 39 HA ALA 39 41.602 4.056 0.731 281 HB1 ALA 39 HB3 ALA 39 41.069 2.941 2.976 282 HB2 ALA 39 HB1 ALA 39 41.477 4.657 3.032 283 HB3 ALA 39 HB2 ALA 39 42.679 3.449 3.486 284 H ARG 40 HN ARG 40 44.567 3.030 2.441 285 HA ARG 40 HA ARG 40 45.941 5.467 2.188 286 HE ARG 40 HE ARG 40 46.585 3.536 6.676 287 HB2 ARG 40 HB2 ARG 40 46.971 2.631 2.378 288 HB3 ARG 40 HB1 ARG 40 48.029 4.039 2.450 289 HG2 ARG 40 HG2 ARG 40 46.822 4.872 4.417 290 HG3 ARG 40 HG1 ARG 40 45.707 3.508 4.327 291 HD2 ARG 40 HD2 ARG 40 47.577 1.942 4.675 292 HD3 ARG 40 HD1 ARG 40 48.704 3.294 4.744 293 HH11 ARG 40 HH21 ARG 40 49.640 2.074 5.941 294 HH12 ARG 40 HH22 ARG 40 50.084 1.847 7.599 295 HH21 ARG 40 HH11 ARG 40 47.159 3.220 8.854 296 HH22 ARG 40 HH12 ARG 40 48.683 2.494 9.245 297 H GLY 41 HN GLY 41 44.930 3.469 -0.093 298 HA2 GLY 41 HA2 GLY 41 47.047 3.768 -2.070 299 HA3 GLY 41 HA1 GLY 41 45.445 3.102 -2.379 300 H TRP 42 HN TRP 42 43.670 4.830 -1.990 301 HA TRP 42 HA TRP 42 43.667 6.609 -4.065 302 HD1 TRP 42 HD1 TRP 42 41.129 4.518 -1.497 303 HE1 TRP 42 HE1 TRP 42 39.609 3.272 -3.160 304 HE3 TRP 42 HE3 TRP 42 41.425 7.674 -5.510 305 HZ2 TRP 42 HZ2 TRP 42 38.643 3.566 -5.829 306 HZ3 TRP 42 HZ3 TRP 42 40.189 7.159 -7.599 307 HH2 TRP 42 HH2 TRP 42 38.801 5.111 -7.761 308 HB2 TRP 42 HB2 TRP 42 42.211 6.851 -1.427 309 HB3 TRP 42 HB1 TRP 42 41.924 7.936 -2.787 310 H VAL 43 HN VAL 43 45.427 6.930 -1.193 311 HA VAL 43 HA VAL 43 45.700 9.669 -0.802 312 HB VAL 43 HB VAL 43 47.765 7.477 -0.582 313 HG11 VAL 43 HG11 VAL 43 48.803 9.127 1.061 314 HG12 VAL 43 HG12 VAL 43 47.750 10.353 0.356 315 HG13 VAL 43 HG13 VAL 43 48.961 9.550 -0.644 316 HG21 VAL 43 HG23 VAL 43 45.647 7.286 0.763 317 HG22 VAL 43 HG21 VAL 43 46.051 8.826 1.520 318 HG23 VAL 43 HG22 VAL 43 47.107 7.432 1.746 319 H THR 44 HN THR 44 48.094 7.719 -2.551 320 HA THR 44 HA THR 44 49.416 9.845 -3.772 321 HB THR 44 HB THR 44 50.226 8.179 -5.440 322 HG1 THR 44 HG1 THR 44 49.398 5.955 -4.684 323 HG21 THR 44 HG23 THR 44 51.430 6.842 -3.854 324 HG22 THR 44 HG21 THR 44 50.164 7.038 -2.642 325 HG23 THR 44 HG22 THR 44 51.164 8.416 -3.101 326 H ASP 45 HN ASP 45 46.528 8.103 -4.792 327 HA ASP 45 HA ASP 45 46.372 9.230 -7.392 328 HB2 ASP 45 HB2 ASP 45 45.165 7.167 -6.512 329 HB3 ASP 45 HB1 ASP 45 44.051 8.275 -5.713 330 H GLY 46 HN GLY 46 46.750 11.099 -5.020 331 HA2 GLY 46 HA2 GLY 46 46.141 13.269 -4.521 332 HA3 GLY 46 HA1 GLY 46 45.211 13.257 -6.017 333 H PHE 47 HN PHE 47 44.939 11.455 -2.920 334 HA PHE 47 HA PHE 47 42.153 11.299 -2.901 335 HD1 PHE 47 HD2 PHE 47 42.543 12.897 0.668 336 HD2 PHE 47 HD1 PHE 47 41.347 9.043 -0.802 337 HE1 PHE 47 HE2 PHE 47 40.597 12.918 2.202 338 HE2 PHE 47 HE1 PHE 47 39.398 9.063 0.733 339 HZ PHE 47 HZ PHE 47 39.024 11.002 2.235 340 HB2 PHE 47 HB2 PHE 47 43.477 9.953 -1.394 341 HB3 PHE 47 HB1 PHE 47 44.114 11.390 -0.597 342 H SER 48 HN SER 48 44.329 13.791 -1.623 343 HA SER 48 HA SER 48 42.635 15.355 -0.157 344 HG SER 48 HG SER 48 45.634 16.863 -2.417 345 HB2 SER 48 HB2 SER 48 44.022 17.270 -0.771 346 HB3 SER 48 HB1 SER 48 45.030 15.852 -0.496 347 H SER 49 HN SER 49 42.584 14.888 -3.643 348 HA SER 49 HA SER 49 41.287 17.127 -4.528 349 HG SER 49 HG SER 49 42.583 16.320 -6.045 350 HB2 SER 49 HB2 SER 49 40.882 14.233 -5.303 351 HB3 SER 49 HB1 SER 49 40.215 15.589 -6.209 352 H LEU 50 HN LEU 50 40.183 14.940 -2.186 353 HA LEU 50 HA LEU 50 37.351 15.288 -2.656 354 HG LEU 50 HG LEU 50 38.186 12.927 -2.760 355 HB2 LEU 50 HB2 LEU 50 39.032 14.030 -0.499 356 HB3 LEU 50 HB1 LEU 50 37.314 14.312 -0.226 357 HD11 LEU 50 HD11 LEU 50 39.342 11.709 -0.983 358 HD12 LEU 50 HD12 LEU 50 37.985 10.752 -1.576 359 HD13 LEU 50 HD13 LEU 50 37.851 11.618 -0.045 360 HD21 LEU 50 HD23 LEU 50 35.758 12.692 -0.946 361 HD22 LEU 50 HD21 LEU 50 35.984 11.821 -2.461 362 HD23 LEU 50 HD22 LEU 50 35.814 13.574 -2.469 363 H LYS 51 HN LYS 51 39.911 16.785 -0.813 364 HA LYS 51 HA LYS 51 38.406 18.272 1.040 365 HB2 LYS 51 HB2 LYS 51 40.885 17.998 1.090 366 HB3 LYS 51 HB1 LYS 51 41.000 19.074 -0.302 367 HG2 LYS 51 HG2 LYS 51 39.942 20.881 0.980 368 HG3 LYS 51 HG1 LYS 51 39.769 19.810 2.371 369 HD2 LYS 51 HD2 LYS 51 42.225 19.554 2.476 370 HD3 LYS 51 HD1 LYS 51 42.395 20.641 1.098 371 HE2 LYS 51 HE2 LYS 51 42.740 21.886 3.180 372 HE3 LYS 51 HE1 LYS 51 41.254 22.428 2.399 373 HZ1 LYS 51 HZ3 LYS 51 39.946 21.330 3.926 374 HZ2 LYS 51 HZ1 LYS 51 41.222 21.877 4.898 375 HZ3 LYS 51 HZ2 LYS 51 41.179 20.257 4.388 376 H ASP 52 HN ASP 52 39.537 19.088 -2.211 377 HA ASP 52 HA ASP 52 38.515 21.703 -2.347 378 HB2 ASP 52 HB2 ASP 52 40.017 20.785 -4.066 379 HB3 ASP 52 HB1 ASP 52 38.755 19.668 -4.581 380 H TYR 53 HN TYR 53 37.029 18.780 -3.768 381 HA TYR 53 HA TYR 53 34.529 19.959 -4.218 382 HD1 TYR 53 HD1 TYR 53 37.173 18.049 -5.478 383 HD2 TYR 53 HD2 TYR 53 32.976 17.861 -6.372 384 HE1 TYR 53 HE1 TYR 53 37.682 18.219 -7.899 385 HE2 TYR 53 HE2 TYR 53 33.485 18.033 -8.793 386 HH TYR 53 HH TYR 53 35.115 17.968 -10.336 387 HB2 TYR 53 HB2 TYR 53 35.388 17.090 -3.848 388 HB3 TYR 53 HB1 TYR 53 33.707 17.520 -4.163 389 H TRP 54 HN TRP 54 35.658 17.977 -1.450 390 HA TRP 54 HA TRP 54 33.245 17.986 -0.023 391 HD1 TRP 54 HD1 TRP 54 35.940 18.472 3.532 392 HE1 TRP 54 HE1 TRP 54 34.291 17.946 5.443 393 HE3 TRP 54 HE3 TRP 54 32.276 16.075 0.902 394 HZ2 TRP 54 HZ2 TRP 54 31.753 16.678 5.806 395 HZ3 TRP 54 HZ3 TRP 54 30.255 15.223 2.053 396 HH2 TRP 54 HH2 TRP 54 29.988 15.520 4.500 397 HB2 TRP 54 HB2 TRP 54 35.158 16.554 0.558 398 HB3 TRP 54 HB1 TRP 54 36.067 17.980 1.064 399 H SER 55 HN SER 55 36.086 20.105 0.402 400 HA SER 55 HA SER 55 35.069 21.847 2.279 401 HG SER 55 HG SER 55 36.477 23.744 2.487 402 HB2 SER 55 HB2 SER 55 37.394 21.930 1.471 403 HB3 SER 55 HB1 SER 55 36.836 22.567 -0.075 404 H THR 56 HN THR 56 34.455 21.728 -1.166 405 HA THR 56 HA THR 56 33.030 24.236 -1.274 406 HB THR 56 HB THR 56 32.865 21.912 -3.203 407 HG1 THR 56 HG1 THR 56 34.595 24.159 -3.109 408 HG21 THR 56 HG23 THR 56 32.333 23.796 -4.798 409 HG22 THR 56 HG21 THR 56 32.211 24.862 -3.397 410 HG23 THR 56 HG22 THR 56 31.097 23.505 -3.573 411 H VAL 57 HN VAL 57 31.632 21.080 -2.153 412 HA VAL 57 HA VAL 57 29.011 21.599 -1.806 413 HB VAL 57 HB VAL 57 29.804 19.414 -2.552 414 HG11 VAL 57 HG11 VAL 57 30.298 18.544 0.283 415 HG12 VAL 57 HG12 VAL 57 31.562 19.416 -0.570 416 HG13 VAL 57 HG13 VAL 57 30.959 17.898 -1.219 417 HG21 VAL 57 HG23 VAL 57 28.100 18.066 -1.529 418 HG22 VAL 57 HG21 VAL 57 27.486 19.719 -1.537 419 HG23 VAL 57 HG22 VAL 57 28.136 19.026 -0.051 420 H LYS 58 HN LYS 58 30.953 20.225 0.890 421 HA LYS 58 HA LYS 58 29.178 20.331 2.931 422 HB2 LYS 58 HB2 LYS 58 31.541 19.594 3.103 423 HB3 LYS 58 HB1 LYS 58 32.044 21.283 3.082 424 HG2 LYS 58 HG2 LYS 58 30.762 21.715 5.126 425 HG3 LYS 58 HG1 LYS 58 30.200 20.043 5.141 426 HD2 LYS 58 HD2 LYS 58 32.517 19.254 5.357 427 HD3 LYS 58 HD1 LYS 58 33.097 20.918 5.320 428 HE2 LYS 58 HE2 LYS 58 32.949 20.132 7.638 429 HE3 LYS 58 HE1 LYS 58 31.763 21.406 7.354 430 HZ1 LYS 58 HZ3 LYS 58 30.063 19.996 7.614 431 HZ2 LYS 58 HZ1 LYS 58 31.189 19.015 8.417 432 HZ3 LYS 58 HZ2 LYS 58 30.833 18.731 6.780 433 H ASP 59 HN ASP 59 31.419 23.042 2.313 434 HA ASP 59 HA ASP 59 30.088 24.869 3.970 435 HB2 ASP 59 HB2 ASP 59 32.386 25.211 3.170 436 HB3 ASP 59 HB1 ASP 59 31.785 25.429 1.527 437 H LYS 60 HN LYS 60 29.806 24.334 0.450 438 HA LYS 60 HA LYS 60 27.914 26.376 0.018 439 HB2 LYS 60 HB2 LYS 60 29.365 25.237 -1.715 440 HB3 LYS 60 HB1 LYS 60 28.304 23.839 -1.589 441 HG2 LYS 60 HG2 LYS 60 26.392 25.192 -2.305 442 HG3 LYS 60 HG1 LYS 60 27.413 26.629 -2.364 443 HD2 LYS 60 HD2 LYS 60 28.822 25.560 -4.083 444 HD3 LYS 60 HD1 LYS 60 27.801 24.123 -4.028 445 HE2 LYS 60 HE2 LYS 60 27.126 25.527 -5.910 446 HE3 LYS 60 HE1 LYS 60 25.850 25.528 -4.692 447 HZ1 LYS 60 HZ3 LYS 60 26.750 27.614 -3.833 448 HZ2 LYS 60 HZ1 LYS 60 26.283 27.760 -5.457 449 HZ3 LYS 60 HZ2 LYS 60 27.929 27.617 -5.057 450 H PHE 61 HN PHE 61 27.608 23.435 1.605 451 HA PHE 61 HA PHE 61 24.966 22.720 0.861 452 HD1 PHE 61 HD2 PHE 61 24.664 20.135 0.968 453 HD2 PHE 61 HD1 PHE 61 24.298 21.895 4.869 454 HE1 PHE 61 HE2 PHE 61 22.628 18.784 1.386 455 HE2 PHE 61 HE1 PHE 61 22.262 20.543 5.287 456 HZ PHE 61 HZ PHE 61 21.428 18.987 3.547 457 HB2 PHE 61 HB2 PHE 61 26.609 21.293 2.176 458 HB3 PHE 61 HB1 PHE 61 26.232 22.299 3.575 459 H SER 62 HN SER 62 26.322 25.242 2.761 460 HA SER 62 HA SER 62 24.007 25.767 4.393 461 HG SER 62 HG SER 62 26.066 25.468 5.287 462 HB2 SER 62 HB2 SER 62 26.372 27.506 3.681 463 HB3 SER 62 HB1 SER 62 25.107 27.971 4.814 464 H GLU 63 HN GLU 63 25.378 27.440 1.559 465 HA GLU 63 HA GLU 63 23.078 29.120 1.231 466 HB2 GLU 63 HB2 GLU 63 24.171 29.922 -0.764 467 HB3 GLU 63 HB1 GLU 63 25.373 29.756 0.515 468 HG2 GLU 63 HG2 GLU 63 25.940 27.492 -0.409 469 HG3 GLU 63 HG1 GLU 63 24.872 27.827 -1.768 470 H PHE 64 HN PHE 64 24.086 26.034 -0.112 471 HA PHE 64 HA PHE 64 22.458 25.935 -2.360 472 HD1 PHE 64 HD2 PHE 64 22.747 24.347 -4.150 473 HD2 PHE 64 HD1 PHE 64 21.921 21.846 -0.755 474 HE1 PHE 64 HE2 PHE 64 21.452 22.805 -5.597 475 HE2 PHE 64 HE1 PHE 64 20.627 20.307 -2.203 476 HZ PHE 64 HZ PHE 64 20.393 20.786 -4.624 477 HB2 PHE 64 HB2 PHE 64 24.192 24.286 -1.910 478 HB3 PHE 64 HB1 PHE 64 23.314 23.711 -0.494 479 H TRP 65 HN TRP 65 21.427 26.408 0.741 480 HA TRP 65 HA TRP 65 19.077 24.731 0.715 481 HD1 TRP 65 HD1 TRP 65 17.534 27.971 3.289 482 HE1 TRP 65 HE1 TRP 65 15.384 26.870 4.192 483 HE3 TRP 65 HE3 TRP 65 18.667 23.060 2.499 484 HZ2 TRP 65 HZ2 TRP 65 14.291 24.247 4.532 485 HZ3 TRP 65 HZ3 TRP 65 17.060 21.280 3.120 486 HH2 TRP 65 HH2 TRP 65 14.875 21.867 4.135 487 HB2 TRP 65 HB2 TRP 65 20.173 25.467 2.812 488 HB3 TRP 65 HB1 TRP 65 19.765 27.137 2.423 489 H ASP 66 HN ASP 66 19.684 28.232 0.389 490 HA ASP 66 HA ASP 66 16.962 28.754 -0.562 491 HB2 ASP 66 HB2 ASP 66 19.394 30.513 -0.139 492 HB3 ASP 66 HB1 ASP 66 17.863 31.105 -0.780 493 H LEU 67 HN LEU 67 16.517 29.712 -2.574 494 HA LEU 67 HA LEU 67 18.487 29.173 -4.704 495 HG LEU 67 HG LEU 67 17.776 28.464 -6.834 496 HB2 LEU 67 HB2 LEU 67 16.359 27.546 -4.332 497 HB3 LEU 67 HB1 LEU 67 15.598 28.767 -5.344 498 HD11 LEU 67 HD11 LEU 67 18.569 26.101 -6.779 499 HD12 LEU 67 HD12 LEU 67 17.637 25.852 -5.305 500 HD13 LEU 67 HD13 LEU 67 18.981 26.991 -5.314 501 HD21 LEU 67 HD23 LEU 67 15.492 26.476 -6.697 502 HD22 LEU 67 HD21 LEU 67 16.633 26.565 -8.040 503 HD23 LEU 67 HD22 LEU 67 15.578 27.933 -7.687 504 H ASP 68 HN ASP 68 17.212 30.109 -6.851 505 HA ASP 68 HA ASP 68 17.542 32.873 -6.694 506 HB2 ASP 68 HB2 ASP 68 15.805 32.375 -8.880 507 HB3 ASP 68 HB1 ASP 68 17.565 32.438 -8.935 508 HA PRO 69 HA PRO 69 13.934 34.810 -5.143 509 HB2 PRO 69 HB2 PRO 69 12.801 35.877 -7.590 510 HB3 PRO 69 HB1 PRO 69 13.738 36.737 -6.360 511 HG2 PRO 69 HG2 PRO 69 14.613 35.633 -8.948 512 HG3 PRO 69 HG1 PRO 69 15.344 36.915 -7.968 513 HD2 PRO 69 HD2 PRO 69 16.479 34.467 -8.217 514 HD3 PRO 69 HD1 PRO 69 16.624 35.416 -6.731 515 H GLU 70 HN GLU 70 13.728 32.474 -7.658 516 HA GLU 70 HA GLU 70 10.935 31.830 -6.852 517 HB2 GLU 70 HB2 GLU 70 11.094 32.800 -9.178 518 HB3 GLU 70 HB1 GLU 70 12.098 31.420 -9.618 519 HG2 GLU 70 HG2 GLU 70 9.843 30.875 -10.248 520 HG3 GLU 70 HG1 GLU 70 10.220 29.922 -8.817 521 H VAL 71 HN VAL 71 11.138 30.102 -5.602 522 HA VAL 71 HA VAL 71 13.100 27.998 -6.275 523 HB VAL 71 HB VAL 71 13.050 28.768 -3.940 524 HG11 VAL 71 HG11 VAL 71 10.343 27.610 -3.404 525 HG12 VAL 71 HG12 VAL 71 10.353 29.142 -4.272 526 HG13 VAL 71 HG13 VAL 71 11.121 29.022 -2.694 527 HG21 VAL 71 HG23 VAL 71 11.758 26.033 -4.093 528 HG22 VAL 71 HG21 VAL 71 12.948 26.604 -2.922 529 HG23 VAL 71 HG22 VAL 71 13.423 26.323 -4.599 530 H ARG 72 HN ARG 72 12.036 27.093 -8.075 531 HA ARG 72 HA ARG 72 9.566 25.600 -7.415 532 HE ARG 72 HE ARG 72 9.509 28.835 -10.520 533 HB2 ARG 72 HB2 ARG 72 10.182 27.200 -9.878 534 HB3 ARG 72 HB1 ARG 72 9.057 25.843 -9.958 535 HG2 ARG 72 HG2 ARG 72 7.717 26.843 -8.137 536 HG3 ARG 72 HG1 ARG 72 8.832 28.206 -8.070 537 HD2 ARG 72 HD2 ARG 72 7.055 27.408 -10.382 538 HD3 ARG 72 HD1 ARG 72 6.955 28.880 -9.418 539 HH11 ARG 72 HH21 ARG 72 6.205 28.952 -11.521 540 HH12 ARG 72 HH22 ARG 72 6.539 29.764 -13.015 541 HH21 ARG 72 HH11 ARG 72 9.970 29.851 -12.495 542 HH22 ARG 72 HH12 ARG 72 8.677 30.274 -13.567 543 HA PRO 73 HA PRO 73 11.851 22.115 -8.889 544 HB2 PRO 73 HB2 PRO 73 9.558 20.620 -9.833 545 HB3 PRO 73 HB1 PRO 73 10.442 20.414 -8.314 546 HG2 PRO 73 HG2 PRO 73 7.839 21.375 -8.558 547 HG3 PRO 73 HG1 PRO 73 8.875 21.541 -7.132 548 HD2 PRO 73 HD2 PRO 73 8.191 23.574 -9.208 549 HD3 PRO 73 HD1 PRO 73 8.620 23.784 -7.501 550 H THR 74 HN THR 74 9.729 23.894 -10.951 551 HA THR 74 HA THR 74 10.411 22.489 -13.383 552 HB THR 74 HB THR 74 9.138 25.213 -13.174 553 HG1 THR 74 HG1 THR 74 7.537 24.235 -12.267 554 HG21 THR 74 HG23 THR 74 8.910 22.979 -15.210 555 HG22 THR 74 HG21 THR 74 9.860 24.450 -15.418 556 HG23 THR 74 HG22 THR 74 8.103 24.544 -15.296 557 H SER 75 HN SER 75 10.914 25.876 -12.464 558 HA SER 75 HA SER 75 12.788 26.423 -14.446 559 HG SER 75 HG SER 75 13.975 28.249 -14.015 560 HB2 SER 75 HB2 SER 75 11.641 28.159 -13.138 561 HB3 SER 75 HB1 SER 75 12.532 27.673 -11.700 562 H ALA 76 HN ALA 76 13.249 25.195 -11.150 563 HA ALA 76 HA ALA 76 16.010 25.400 -10.951 564 HB1 ALA 76 HB3 ALA 76 15.835 23.454 -9.392 565 HB2 ALA 76 HB1 ALA 76 14.157 23.258 -9.894 566 HB3 ALA 76 HB2 ALA 76 14.661 24.729 -9.063 567 H VAL 77 HN VAL 77 14.328 22.358 -11.775 568 HA VAL 77 HA VAL 77 16.639 21.062 -12.695 569 HB VAL 77 HB VAL 77 15.149 19.420 -13.718 570 HG11 VAL 77 HG11 VAL 77 13.726 18.940 -11.717 571 HG12 VAL 77 HG12 VAL 77 14.141 20.533 -11.084 572 HG13 VAL 77 HG13 VAL 77 15.399 19.316 -11.302 573 HG21 VAL 77 HG23 VAL 77 13.492 20.695 -14.827 574 HG22 VAL 77 HG21 VAL 77 13.124 21.632 -13.382 575 HG23 VAL 77 HG22 VAL 77 12.616 19.949 -13.491 576 H ALA 78 HN ALA 78 14.102 22.756 -14.559 577 HA ALA 78 HA ALA 78 15.386 22.396 -17.074 578 HB1 ALA 78 HB3 ALA 78 13.367 24.475 -16.198 579 HB2 ALA 78 HB1 ALA 78 12.983 22.890 -16.866 580 HB3 ALA 78 HB2 ALA 78 13.795 24.096 -17.866 581 H ALA 79 HN ALA 79 16.173 24.252 -14.410 582 HA ALA 79 HA ALA 79 18.384 25.514 -15.629 583 HB1 ALA 79 HB3 ALA 79 17.503 27.914 -15.343 584 HB2 ALA 79 HB1 ALA 79 15.894 27.190 -15.343 585 HB3 ALA 79 HB2 ALA 79 16.942 27.014 -16.751 Start of MODEL 4 1 HA SER 1 HA SER 1 7.866 -21.592 16.236 2 HG SER 1 HG SER 1 7.978 -23.840 15.093 3 H1 SER 1 HT1 SER 1 5.853 -23.192 14.831 4 H2 SER 1 HT2 SER 1 5.370 -22.305 16.197 5 H3 SER 1 HT3 SER 1 6.601 -23.469 16.329 6 HB2 SER 1 HB2 SER 1 7.374 -22.052 13.285 7 HB3 SER 1 HB1 SER 1 8.855 -21.486 14.052 8 H GLU 2 HN GLU 2 5.294 -21.252 13.788 9 HA GLU 2 HA GLU 2 4.529 -18.669 14.793 10 HB2 GLU 2 HB2 GLU 2 5.061 -17.405 12.741 11 HB3 GLU 2 HB1 GLU 2 6.521 -18.009 13.522 12 HG2 GLU 2 HG2 GLU 2 6.546 -19.936 11.964 13 HG3 GLU 2 HG1 GLU 2 5.113 -19.297 11.163 14 H ALA 3 HN ALA 3 2.531 -18.029 14.020 15 HA ALA 3 HA ALA 3 0.761 -19.967 13.154 16 HB1 ALA 3 HB3 ALA 3 0.585 -16.955 12.897 17 HB2 ALA 3 HB1 ALA 3 -0.022 -17.937 14.230 18 HB3 ALA 3 HB2 ALA 3 -0.767 -18.058 12.635 19 H GLU 4 HN GLU 4 1.017 -21.058 11.356 20 HA GLU 4 HA GLU 4 2.193 -20.058 8.970 21 HB2 GLU 4 HB2 GLU 4 0.464 -22.505 9.434 22 HB3 GLU 4 HB1 GLU 4 1.388 -22.180 7.969 23 HG2 GLU 4 HG2 GLU 4 2.846 -23.563 9.185 24 HG3 GLU 4 HG1 GLU 4 3.430 -21.949 9.588 25 H ASP 5 HN ASP 5 -0.976 -19.909 10.295 26 HA ASP 5 HA ASP 5 -2.491 -19.685 7.907 27 HB2 ASP 5 HB2 ASP 5 -2.977 -18.718 10.725 28 HB3 ASP 5 HB1 ASP 5 -4.151 -18.514 9.426 29 H ALA 6 HN ALA 6 -0.209 -17.614 9.309 30 HA ALA 6 HA ALA 6 -1.234 -15.091 8.720 31 HB1 ALA 6 HB3 ALA 6 1.260 -14.484 8.570 32 HB2 ALA 6 HB1 ALA 6 1.571 -16.182 8.931 33 HB3 ALA 6 HB2 ALA 6 0.698 -15.179 10.089 34 H SER 7 HN SER 7 -0.288 -13.663 7.041 35 HA SER 7 HA SER 7 -0.874 -14.717 4.464 36 HG SER 7 HG SER 7 -2.027 -12.763 5.783 37 HB2 SER 7 HB2 SER 7 0.204 -12.056 5.397 38 HB3 SER 7 HB1 SER 7 -0.122 -12.423 3.706 39 H LEU 8 HN LEU 8 0.688 -14.021 2.647 40 HA LEU 8 HA LEU 8 2.916 -15.716 2.673 41 HG LEU 8 HG LEU 8 0.515 -14.739 0.899 42 HB2 LEU 8 HB2 LEU 8 2.514 -13.287 0.913 43 HB3 LEU 8 HB1 LEU 8 3.531 -14.683 0.566 44 HD11 LEU 8 HD11 LEU 8 2.345 -14.826 -1.507 45 HD12 LEU 8 HD12 LEU 8 1.020 -13.707 -1.192 46 HD13 LEU 8 HD13 LEU 8 0.677 -15.395 -1.572 47 HD21 LEU 8 HD23 LEU 8 2.603 -16.876 0.475 48 HD22 LEU 8 HD21 LEU 8 0.971 -17.101 -0.155 49 HD23 LEU 8 HD22 LEU 8 1.224 -16.876 1.574 50 H LEU 9 HN LEU 9 2.603 -12.976 4.483 51 HA LEU 9 HA LEU 9 5.242 -11.856 4.118 52 HG LEU 9 HG LEU 9 4.453 -9.607 3.995 53 HB2 LEU 9 HB2 LEU 9 2.904 -11.341 5.947 54 HB3 LEU 9 HB1 LEU 9 4.471 -10.591 6.252 55 HD11 LEU 9 HD11 LEU 9 2.177 -9.755 2.768 56 HD12 LEU 9 HD12 LEU 9 1.868 -11.159 3.789 57 HD13 LEU 9 HD13 LEU 9 3.240 -11.158 2.681 58 HD21 LEU 9 HD23 LEU 9 3.340 -8.455 5.968 59 HD22 LEU 9 HD21 LEU 9 1.800 -9.063 5.358 60 HD23 LEU 9 HD22 LEU 9 2.755 -7.944 4.384 61 H SER 10 HN SER 10 3.988 -14.554 5.605 62 HA SER 10 HA SER 10 5.388 -14.589 8.067 63 HG SER 10 HG SER 10 3.871 -17.512 5.880 64 HB2 SER 10 HB2 SER 10 4.781 -16.874 8.259 65 HB3 SER 10 HB1 SER 10 3.454 -16.114 7.390 66 H PHE 11 HN PHE 11 6.115 -16.542 5.211 67 HA PHE 11 HA PHE 11 8.534 -17.551 5.934 68 HD1 PHE 11 HD2 PHE 11 9.560 -19.380 4.726 69 HD2 PHE 11 HD1 PHE 11 9.816 -16.064 2.007 70 HE1 PHE 11 HE2 PHE 11 11.802 -20.150 3.999 71 HE2 PHE 11 HE1 PHE 11 12.056 -16.833 1.280 72 HZ PHE 11 HZ PHE 11 13.050 -18.877 2.275 73 HB2 PHE 11 HB2 PHE 11 7.478 -18.042 3.779 74 HB3 PHE 11 HB1 PHE 11 7.839 -16.409 3.217 75 H MET 12 HN MET 12 8.040 -14.367 4.400 76 HA MET 12 HA MET 12 10.751 -13.589 4.494 77 HB2 MET 12 HB2 MET 12 8.209 -11.953 4.397 78 HB3 MET 12 HB1 MET 12 9.825 -11.260 4.249 79 HG2 MET 12 HG2 MET 12 10.281 -12.645 2.287 80 HG3 MET 12 HG1 MET 12 8.716 -13.440 2.458 81 HE1 MET 12 HE3 MET 12 9.447 -9.383 2.866 82 HE2 MET 12 HE1 MET 12 9.723 -9.214 1.129 83 HE3 MET 12 HE2 MET 12 10.683 -10.354 2.068 84 H GLN 13 HN GLN 13 8.087 -12.429 6.539 85 HA GLN 13 HA GLN 13 9.294 -10.916 8.398 86 HB2 GLN 13 HB2 GLN 13 6.924 -11.557 8.535 87 HB3 GLN 13 HB1 GLN 13 7.391 -13.168 9.080 88 HG2 GLN 13 HG2 GLN 13 8.412 -12.254 11.085 89 HG3 GLN 13 HG1 GLN 13 8.135 -10.608 10.518 90 HE21 GLN 13 HE21 GLN 13 7.067 -11.455 13.004 91 HE22 GLN 13 HE22 GLN 13 5.378 -11.547 12.872 92 H GLY 14 HN GLY 14 9.179 -14.476 8.723 93 HA2 GLY 14 HA2 GLY 14 10.971 -14.581 10.905 94 HA3 GLY 14 HA1 GLY 14 10.510 -15.932 9.882 95 H TYR 15 HN TYR 15 11.432 -14.646 7.423 96 HA TYR 15 HA TYR 15 14.004 -15.682 7.277 97 HD1 TYR 15 HD2 TYR 15 14.119 -16.830 4.685 98 HD2 TYR 15 HD1 TYR 15 15.180 -12.674 4.905 99 HE1 TYR 15 HE2 TYR 15 16.149 -17.280 3.337 100 HE2 TYR 15 HE1 TYR 15 17.211 -13.123 3.553 101 HH TYR 15 HH TYR 15 17.653 -15.764 1.729 102 HB2 TYR 15 HB2 TYR 15 12.478 -15.093 5.335 103 HB3 TYR 15 HB1 TYR 15 12.989 -13.421 5.554 104 H MET 16 HN MET 16 13.266 -12.240 7.220 105 HA MET 16 HA MET 16 15.892 -11.380 7.600 106 HB2 MET 16 HB2 MET 16 14.064 -9.860 6.976 107 HB3 MET 16 HB1 MET 16 13.312 -10.096 8.553 108 HG2 MET 16 HG2 MET 16 15.213 -9.064 9.670 109 HG3 MET 16 HG1 MET 16 16.086 -8.947 8.141 110 HE1 MET 16 HE3 MET 16 12.604 -6.414 9.672 111 HE2 MET 16 HE1 MET 16 13.884 -7.179 10.619 112 HE3 MET 16 HE2 MET 16 12.671 -8.170 9.811 113 H LYS 17 HN LYS 17 13.517 -12.547 9.896 114 HA LYS 17 HA LYS 17 14.914 -11.688 12.235 115 HB2 LYS 17 HB2 LYS 17 12.965 -13.962 11.848 116 HB3 LYS 17 HB1 LYS 17 13.552 -13.419 13.408 117 HG2 LYS 17 HG2 LYS 17 12.325 -11.418 11.518 118 HG3 LYS 17 HG1 LYS 17 11.276 -12.464 12.470 119 HD2 LYS 17 HD2 LYS 17 12.391 -11.691 14.539 120 HD3 LYS 17 HD1 LYS 17 13.417 -10.624 13.586 121 HE2 LYS 17 HE2 LYS 17 11.470 -9.394 12.788 122 HE3 LYS 17 HE1 LYS 17 10.392 -10.498 13.642 123 HZ1 LYS 17 HZ3 LYS 17 12.083 -8.368 14.686 124 HZ2 LYS 17 HZ1 LYS 17 11.960 -9.771 15.633 125 HZ3 LYS 17 HZ2 LYS 17 10.560 -8.905 15.213 126 H HIS 18 HN HIS 18 14.935 -14.722 10.397 127 HA HIS 18 HA HIS 18 16.911 -15.939 12.094 128 HD1 HIS 18 HD1 HIS 18 17.193 -18.512 12.493 129 HD2 HIS 18 HD2 HIS 18 17.924 -18.332 8.393 130 HE1 HIS 18 HE1 HIS 18 18.983 -20.236 12.009 131 HB2 HIS 18 HB2 HIS 18 15.262 -17.304 10.924 132 HB3 HIS 18 HB1 HIS 18 15.885 -16.747 9.370 133 H ALA 19 HN ALA 19 16.968 -14.641 8.733 134 HA ALA 19 HA ALA 19 19.638 -15.198 8.212 135 HB1 ALA 19 HB3 ALA 19 18.050 -12.810 7.261 136 HB2 ALA 19 HB1 ALA 19 17.985 -14.414 6.530 137 HB3 ALA 19 HB2 ALA 19 19.482 -13.482 6.483 138 H THR 20 HN THR 20 18.290 -12.858 10.260 139 HA THR 20 HA THR 20 20.483 -11.030 10.320 140 HB THR 20 HB THR 20 18.341 -11.695 12.354 141 HG1 THR 20 HG1 THR 20 17.292 -10.096 11.436 142 HG21 THR 20 HG23 THR 20 20.550 -9.637 12.404 143 HG22 THR 20 HG21 THR 20 20.121 -10.807 13.651 144 HG23 THR 20 HG22 THR 20 19.063 -9.434 13.330 145 H LYS 21 HN LYS 21 19.988 -14.195 11.491 146 HA LYS 21 HA LYS 21 21.825 -14.165 13.679 147 HB2 LYS 21 HB2 LYS 21 20.111 -15.940 13.393 148 HB3 LYS 21 HB1 LYS 21 21.014 -16.541 12.000 149 HG2 LYS 21 HG2 LYS 21 22.981 -16.937 13.412 150 HG3 LYS 21 HG1 LYS 21 22.131 -16.272 14.808 151 HD2 LYS 21 HD2 LYS 21 20.433 -18.058 14.623 152 HD3 LYS 21 HD1 LYS 21 21.298 -18.729 13.239 153 HE2 LYS 21 HE2 LYS 21 22.052 -20.018 15.076 154 HE3 LYS 21 HE1 LYS 21 23.346 -18.850 14.809 155 HZ1 LYS 21 HZ3 LYS 21 22.815 -17.690 16.676 156 HZ2 LYS 21 HZ1 LYS 21 22.322 -19.235 17.178 157 HZ3 LYS 21 HZ2 LYS 21 21.171 -18.114 16.626 158 H THR 22 HN THR 22 22.142 -14.803 10.221 159 HA THR 22 HA THR 22 24.743 -15.861 10.233 160 HB THR 22 HB THR 22 24.826 -15.143 7.861 161 HG1 THR 22 HG1 THR 22 22.278 -14.030 8.358 162 HG21 THR 22 HG23 THR 22 22.997 -16.524 7.132 163 HG22 THR 22 HG21 THR 22 22.097 -16.211 8.615 164 HG23 THR 22 HG22 THR 22 23.565 -17.185 8.664 165 H ALA 23 HN ALA 23 23.741 -12.725 10.991 166 HA ALA 23 HA ALA 23 25.681 -11.035 10.058 167 HB1 ALA 23 HB3 ALA 23 25.290 -9.728 12.144 168 HB2 ALA 23 HB1 ALA 23 24.379 -11.093 12.789 169 HB3 ALA 23 HB2 ALA 23 23.794 -10.239 11.363 170 H LYS 24 HN LYS 24 25.812 -12.954 13.079 171 HA LYS 24 HA LYS 24 28.330 -12.227 13.966 172 HB2 LYS 24 HB2 LYS 24 27.004 -14.950 14.083 173 HB3 LYS 24 HB1 LYS 24 28.367 -14.441 15.081 174 HG2 LYS 24 HG2 LYS 24 27.019 -12.621 16.035 175 HG3 LYS 24 HG1 LYS 24 25.658 -13.076 15.011 176 HD2 LYS 24 HD2 LYS 24 25.643 -15.326 16.097 177 HD3 LYS 24 HD1 LYS 24 26.918 -14.775 17.184 178 HE2 LYS 24 HE2 LYS 24 24.226 -13.410 16.907 179 HE3 LYS 24 HE1 LYS 24 24.610 -14.583 18.166 180 HZ1 LYS 24 HZ3 LYS 24 25.149 -11.855 18.157 181 HZ2 LYS 24 HZ1 LYS 24 26.646 -12.645 18.045 182 HZ3 LYS 24 HZ2 LYS 24 25.593 -12.999 19.330 183 H ASP 25 HN ASP 25 27.821 -15.337 12.481 184 HA ASP 25 HA ASP 25 30.374 -16.002 11.794 185 HB2 ASP 25 HB2 ASP 25 27.835 -16.603 10.262 186 HB3 ASP 25 HB1 ASP 25 29.393 -17.313 9.847 187 H ALA 26 HN ALA 26 28.120 -13.998 9.955 188 HA ALA 26 HA ALA 26 29.855 -13.533 7.745 189 HB1 ALA 26 HB3 ALA 26 28.332 -11.620 7.292 190 HB2 ALA 26 HB1 ALA 26 27.547 -11.913 8.843 191 HB3 ALA 26 HB2 ALA 26 27.457 -13.127 7.567 192 H LEU 27 HN LEU 27 29.197 -11.829 10.814 193 HA LEU 27 HA LEU 27 30.807 -9.563 10.315 194 HG LEU 27 HG LEU 27 28.519 -9.258 11.269 195 HB2 LEU 27 HB2 LEU 27 29.899 -10.896 12.847 196 HB3 LEU 27 HB1 LEU 27 31.025 -9.547 12.923 197 HD11 LEU 27 HD11 LEU 27 27.624 -10.060 13.365 198 HD12 LEU 27 HD12 LEU 27 27.411 -8.310 13.326 199 HD13 LEU 27 HD13 LEU 27 28.711 -9.019 14.283 200 HD21 LEU 27 HD23 LEU 27 30.216 -7.482 11.188 201 HD22 LEU 27 HD21 LEU 27 30.201 -7.364 12.948 202 HD23 LEU 27 HD22 LEU 27 28.776 -6.895 12.021 203 H SER 28 HN SER 28 31.656 -12.634 11.780 204 HA SER 28 HA SER 28 34.333 -12.017 12.410 205 HG SER 28 HG SER 28 33.036 -15.783 11.621 206 HB2 SER 28 HB2 SER 28 34.697 -14.468 12.363 207 HB3 SER 28 HB1 SER 28 33.207 -14.064 13.213 208 H SER 29 HN SER 29 32.691 -12.760 9.477 209 HA SER 29 HA SER 29 35.070 -13.370 7.923 210 HG SER 29 HG SER 29 33.089 -15.138 7.283 211 HB2 SER 29 HB2 SER 29 32.457 -12.461 6.736 212 HB3 SER 29 HB1 SER 29 33.693 -13.481 6.014 213 H VAL 30 HN VAL 30 34.143 -10.493 9.270 214 HA VAL 30 HA VAL 30 34.314 -8.586 7.251 215 HB VAL 30 HB VAL 30 35.189 -7.038 9.022 216 HG11 VAL 30 HG11 VAL 30 32.898 -6.904 9.051 217 HG12 VAL 30 HG12 VAL 30 33.060 -7.746 10.591 218 HG13 VAL 30 HG13 VAL 30 32.682 -8.650 9.124 219 HG21 VAL 30 HG23 VAL 30 34.955 -8.256 11.392 220 HG22 VAL 30 HG21 VAL 30 36.485 -8.254 10.517 221 HG23 VAL 30 HG22 VAL 30 35.440 -9.670 10.463 222 H GLN 31 HN GLN 31 36.649 -10.810 7.773 223 HA GLN 31 HA GLN 31 39.128 -9.654 7.874 224 HB2 GLN 31 HB2 GLN 31 38.742 -12.077 7.584 225 HB3 GLN 31 HB1 GLN 31 38.230 -11.791 5.923 226 HG2 GLN 31 HG2 GLN 31 40.443 -10.972 5.324 227 HG3 GLN 31 HG1 GLN 31 40.973 -11.083 7.003 228 HE21 GLN 31 HE21 GLN 31 42.261 -12.529 4.845 229 HE22 GLN 31 HE22 GLN 31 42.014 -14.185 5.121 230 H GLU 32 HN GLU 32 36.751 -9.026 5.526 231 HA GLU 32 HA GLU 32 38.524 -8.171 3.427 232 HB2 GLU 32 HB2 GLU 32 35.610 -7.573 3.989 233 HB3 GLU 32 HB1 GLU 32 36.462 -7.086 2.525 234 HG2 GLU 32 HG2 GLU 32 36.201 -9.951 3.481 235 HG3 GLU 32 HG1 GLU 32 35.177 -9.216 2.248 236 H SER 33 HN SER 33 37.893 -7.044 6.484 237 HA SER 33 HA SER 33 37.679 -4.256 6.153 238 HG SER 33 HG SER 33 39.090 -3.640 9.093 239 HB2 SER 33 HB2 SER 33 37.408 -5.580 8.321 240 HB3 SER 33 HB1 SER 33 39.166 -5.616 8.403 241 H GLN 34 HN GLN 34 40.221 -6.453 5.554 242 HA GLN 34 HA GLN 34 42.479 -4.880 6.059 243 HB2 GLN 34 HB2 GLN 34 42.579 -7.260 5.377 244 HB3 GLN 34 HB1 GLN 34 42.096 -6.796 3.745 245 HG2 GLN 34 HG2 GLN 34 44.099 -5.509 3.428 246 HG3 GLN 34 HG1 GLN 34 44.530 -5.650 5.132 247 HE21 GLN 34 HE21 GLN 34 46.356 -6.506 3.125 248 HE22 GLN 34 HE22 GLN 34 46.476 -8.198 3.185 249 H VAL 35 HN VAL 35 39.927 -4.270 3.904 250 HA VAL 35 HA VAL 35 40.978 -3.097 1.675 251 HB VAL 35 HB VAL 35 38.552 -3.291 2.240 252 HG11 VAL 35 HG11 VAL 35 37.493 -1.636 3.622 253 HG12 VAL 35 HG12 VAL 35 38.993 -0.720 3.775 254 HG13 VAL 35 HG13 VAL 35 38.840 -2.298 4.549 255 HG21 VAL 35 HG23 VAL 35 37.897 -1.426 0.924 256 HG22 VAL 35 HG21 VAL 35 39.547 -1.770 0.404 257 HG23 VAL 35 HG22 VAL 35 39.232 -0.433 1.512 258 H ALA 36 HN ALA 36 41.815 -2.234 4.773 259 HA ALA 36 HA ALA 36 42.125 0.541 4.832 260 HB1 ALA 36 HB3 ALA 36 42.795 -0.841 6.728 261 HB2 ALA 36 HB1 ALA 36 44.188 0.087 6.176 262 HB3 ALA 36 HB2 ALA 36 44.044 -1.619 5.754 263 H GLN 37 HN GLN 37 44.681 -1.710 3.816 264 HA GLN 37 HA GLN 37 46.468 -0.031 2.662 265 HB2 GLN 37 HB2 GLN 37 47.104 -1.781 1.093 266 HB3 GLN 37 HB1 GLN 37 46.724 -2.492 2.663 267 HG2 GLN 37 HG2 GLN 37 44.378 -2.909 1.791 268 HG3 GLN 37 HG1 GLN 37 44.967 -2.433 0.198 269 HE21 GLN 37 HE21 GLN 37 45.802 -4.717 2.863 270 HE22 GLN 37 HE22 GLN 37 46.348 -5.948 1.829 271 H GLN 38 HN GLN 38 43.388 -1.063 1.173 272 HA GLN 38 HA GLN 38 43.722 0.228 -1.323 273 HB2 GLN 38 HB2 GLN 38 41.842 -1.410 -0.439 274 HB3 GLN 38 HB1 GLN 38 41.049 0.079 0.064 275 HG2 GLN 38 HG2 GLN 38 41.194 0.942 -2.242 276 HG3 GLN 38 HG1 GLN 38 41.960 -0.564 -2.750 277 HE21 GLN 38 HE21 GLN 38 40.490 -2.008 -3.650 278 HE22 GLN 38 HE22 GLN 38 38.855 -2.132 -3.215 279 H ALA 39 HN ALA 39 41.825 1.268 1.488 280 HA ALA 39 HA ALA 39 41.344 3.905 0.766 281 HB1 ALA 39 HB3 ALA 39 42.024 2.839 3.520 282 HB2 ALA 39 HB1 ALA 39 40.413 3.078 2.840 283 HB3 ALA 39 HB2 ALA 39 41.427 4.470 3.219 284 H ARG 40 HN ARG 40 44.148 2.709 2.648 285 HA ARG 40 HA ARG 40 45.667 5.062 2.603 286 HE ARG 40 HE ARG 40 49.977 4.152 5.594 287 HB2 ARG 40 HB2 ARG 40 46.090 2.924 3.956 288 HB3 ARG 40 HB1 ARG 40 46.841 2.273 2.501 289 HG2 ARG 40 HG2 ARG 40 48.447 4.146 2.483 290 HG3 ARG 40 HG1 ARG 40 47.690 4.806 3.931 291 HD2 ARG 40 HD2 ARG 40 48.227 2.679 5.124 292 HD3 ARG 40 HD1 ARG 40 49.093 2.133 3.692 293 HH11 ARG 40 HH21 ARG 40 50.233 2.818 2.415 294 HH12 ARG 40 HH22 ARG 40 51.855 3.370 2.161 295 HH21 ARG 40 HH11 ARG 40 52.116 4.865 5.278 296 HH22 ARG 40 HH12 ARG 40 52.921 4.529 3.781 297 H GLY 41 HN GLY 41 44.656 3.352 0.154 298 HA2 GLY 41 HA2 GLY 41 46.895 3.629 -1.714 299 HA3 GLY 41 HA1 GLY 41 45.268 3.092 -2.143 300 H TRP 42 HN TRP 42 43.597 4.883 -1.609 301 HA TRP 42 HA TRP 42 43.586 6.784 -3.530 302 HD1 TRP 42 HD1 TRP 42 42.310 4.838 -3.531 303 HE1 TRP 42 HE1 TRP 42 40.504 3.110 -2.911 304 HE3 TRP 42 HE3 TRP 42 40.146 7.203 0.449 305 HZ2 TRP 42 HZ2 TRP 42 38.420 2.768 -0.984 306 HZ3 TRP 42 HZ3 TRP 42 38.251 6.153 1.654 307 HH2 TRP 42 HH2 TRP 42 37.387 3.942 0.943 308 HB2 TRP 42 HB2 TRP 42 42.476 7.486 -0.818 309 HB3 TRP 42 HB1 TRP 42 41.857 7.939 -2.405 310 H VAL 43 HN VAL 43 45.525 6.887 -0.740 311 HA VAL 43 HA VAL 43 46.021 9.671 -0.528 312 HB VAL 43 HB VAL 43 47.834 9.100 0.872 313 HG11 VAL 43 HG11 VAL 43 46.900 7.329 2.304 314 HG12 VAL 43 HG12 VAL 43 45.856 6.797 0.989 315 HG13 VAL 43 HG13 VAL 43 45.615 8.383 1.718 316 HG21 VAL 43 HG23 VAL 43 48.697 6.670 0.839 317 HG22 VAL 43 HG21 VAL 43 49.174 7.701 -0.508 318 HG23 VAL 43 HG22 VAL 43 47.878 6.531 -0.713 319 H THR 44 HN THR 44 47.656 7.104 -2.278 320 HA THR 44 HA THR 44 49.736 8.633 -3.398 321 HB THR 44 HB THR 44 49.841 6.844 -5.157 322 HG1 THR 44 HG1 THR 44 48.056 5.826 -5.479 323 HG21 THR 44 HG23 THR 44 49.677 6.128 -2.229 324 HG22 THR 44 HG21 THR 44 51.116 6.454 -3.196 325 HG23 THR 44 HG22 THR 44 50.202 4.967 -3.449 326 H ASP 45 HN ASP 45 46.469 7.927 -4.559 327 HA ASP 45 HA ASP 45 46.812 9.436 -6.987 328 HB2 ASP 45 HB2 ASP 45 45.222 7.534 -6.772 329 HB3 ASP 45 HB1 ASP 45 44.266 8.500 -5.649 330 H GLY 46 HN GLY 46 46.934 10.525 -3.989 331 HA2 GLY 46 HA2 GLY 46 46.583 12.621 -3.038 332 HA3 GLY 46 HA1 GLY 46 46.233 13.190 -4.668 333 H PHE 47 HN PHE 47 44.608 10.952 -2.356 334 HA PHE 47 HA PHE 47 42.002 11.322 -3.177 335 HD1 PHE 47 HD2 PHE 47 44.830 11.655 -0.475 336 HD2 PHE 47 HD1 PHE 47 40.840 11.151 1.034 337 HE1 PHE 47 HE2 PHE 47 45.504 12.724 1.656 338 HE2 PHE 47 HE1 PHE 47 41.512 12.231 3.163 339 HZ PHE 47 HZ PHE 47 43.844 13.014 3.476 340 HB2 PHE 47 HB2 PHE 47 41.346 10.397 -1.128 341 HB3 PHE 47 HB1 PHE 47 42.987 9.789 -1.324 342 H SER 48 HN SER 48 44.095 13.630 -1.779 343 HA SER 48 HA SER 48 42.529 15.277 -0.263 344 HG SER 48 HG SER 48 45.841 15.262 -1.144 345 HB2 SER 48 HB2 SER 48 44.471 16.206 -2.387 346 HB3 SER 48 HB1 SER 48 43.899 17.156 -1.018 347 H SER 49 HN SER 49 42.337 14.765 -3.727 348 HA SER 49 HA SER 49 40.963 16.983 -4.568 349 HG SER 49 HG SER 49 40.237 16.100 -7.211 350 HB2 SER 49 HB2 SER 49 41.681 15.146 -6.047 351 HB3 SER 49 HB1 SER 49 40.445 14.103 -5.350 352 H LEU 50 HN LEU 50 39.974 14.804 -2.148 353 HA LEU 50 HA LEU 50 37.124 15.130 -2.593 354 HG LEU 50 HG LEU 50 36.184 14.800 0.190 355 HB2 LEU 50 HB2 LEU 50 38.044 13.077 -1.490 356 HB3 LEU 50 HB1 LEU 50 38.554 14.083 -0.133 357 HD11 LEU 50 HD11 LEU 50 35.018 14.580 -1.794 358 HD12 LEU 50 HD12 LEU 50 34.532 13.076 -1.017 359 HD13 LEU 50 HD13 LEU 50 35.815 13.068 -2.231 360 HD21 LEU 50 HD23 LEU 50 36.833 11.846 0.260 361 HD22 LEU 50 HD21 LEU 50 35.363 12.515 0.969 362 HD23 LEU 50 HD22 LEU 50 36.943 13.011 1.580 363 H LYS 51 HN LYS 51 39.696 16.589 -0.725 364 HA LYS 51 HA LYS 51 38.209 18.029 1.164 365 HB2 LYS 51 HB2 LYS 51 40.702 17.789 1.143 366 HB3 LYS 51 HB1 LYS 51 40.757 18.939 -0.192 367 HG2 LYS 51 HG2 LYS 51 39.711 20.659 1.190 368 HG3 LYS 51 HG1 LYS 51 39.529 19.515 2.521 369 HD2 LYS 51 HD2 LYS 51 41.987 19.265 2.639 370 HD3 LYS 51 HD1 LYS 51 42.162 20.429 1.325 371 HE2 LYS 51 HE2 LYS 51 41.076 22.161 2.685 372 HE3 LYS 51 HE1 LYS 51 40.846 21.003 3.996 373 HZ1 LYS 51 HZ3 LYS 51 43.431 20.727 3.646 374 HZ2 LYS 51 HZ1 LYS 51 42.789 21.928 4.658 375 HZ3 LYS 51 HZ2 LYS 51 43.284 22.322 3.082 376 H ASP 52 HN ASP 52 39.632 19.345 -1.810 377 HA ASP 52 HA ASP 52 38.397 21.806 -1.887 378 HB2 ASP 52 HB2 ASP 52 38.468 21.617 -4.397 379 HB3 ASP 52 HB1 ASP 52 39.991 21.233 -3.596 380 H TYR 53 HN TYR 53 37.109 18.892 -3.506 381 HA TYR 53 HA TYR 53 34.633 19.926 -4.200 382 HD1 TYR 53 HD2 TYR 53 33.644 18.982 -6.176 383 HD2 TYR 53 HD1 TYR 53 33.016 16.097 -3.057 384 HE1 TYR 53 HE2 TYR 53 31.333 18.604 -6.990 385 HE2 TYR 53 HE1 TYR 53 30.705 15.721 -3.870 386 HH TYR 53 HH TYR 53 29.087 17.740 -5.805 387 HB2 TYR 53 HB2 TYR 53 35.580 17.705 -4.911 388 HB3 TYR 53 HB1 TYR 53 35.145 17.072 -3.325 389 H TRP 54 HN TRP 54 35.668 18.428 -1.148 390 HA TRP 54 HA TRP 54 33.068 18.503 0.057 391 HD1 TRP 54 HD1 TRP 54 33.824 16.435 -0.910 392 HE1 TRP 54 HE1 TRP 54 33.114 14.055 -0.216 393 HE3 TRP 54 HE3 TRP 54 34.901 16.624 4.073 394 HZ2 TRP 54 HZ2 TRP 54 33.017 12.447 2.150 395 HZ3 TRP 54 HZ3 TRP 54 34.494 14.657 5.524 396 HH2 TRP 54 HH2 TRP 54 33.554 12.570 4.570 397 HB2 TRP 54 HB2 TRP 54 35.870 18.052 1.039 398 HB3 TRP 54 HB1 TRP 54 34.628 18.435 2.228 399 H SER 55 HN SER 55 35.962 20.571 0.401 400 HA SER 55 HA SER 55 35.014 22.421 2.195 401 HG SER 55 HG SER 55 37.289 23.811 -0.808 402 HB2 SER 55 HB2 SER 55 36.553 24.023 1.205 403 HB3 SER 55 HB1 SER 55 37.304 22.430 1.218 404 H THR 56 HN THR 56 34.316 22.163 -1.241 405 HA THR 56 HA THR 56 32.730 24.589 -1.305 406 HB THR 56 HB THR 56 32.920 22.299 -3.275 407 HG1 THR 56 HG1 THR 56 34.748 23.256 -3.617 408 HG21 THR 56 HG23 THR 56 30.857 23.367 -3.716 409 HG22 THR 56 HG21 THR 56 31.990 24.146 -4.819 410 HG23 THR 56 HG22 THR 56 31.503 24.962 -3.334 411 H VAL 57 HN VAL 57 31.673 21.318 -2.211 412 HA VAL 57 HA VAL 57 29.005 21.537 -1.897 413 HB VAL 57 HB VAL 57 30.707 19.181 -1.055 414 HG11 VAL 57 HG11 VAL 57 28.522 17.917 -1.504 415 HG12 VAL 57 HG12 VAL 57 27.716 19.481 -1.404 416 HG13 VAL 57 HG13 VAL 57 28.586 18.846 -0.007 417 HG21 VAL 57 HG23 VAL 57 29.254 19.949 -3.603 418 HG22 VAL 57 HG21 VAL 57 29.881 18.329 -3.300 419 HG23 VAL 57 HG22 VAL 57 30.987 19.700 -3.394 420 H LYS 58 HN LYS 58 30.914 20.156 0.812 421 HA LYS 58 HA LYS 58 29.102 20.159 2.796 422 HB2 LYS 58 HB2 LYS 58 31.504 19.520 2.998 423 HB3 LYS 58 HB1 LYS 58 31.913 21.232 3.110 424 HG2 LYS 58 HG2 LYS 58 30.503 21.450 5.115 425 HG3 LYS 58 HG1 LYS 58 30.072 19.743 5.002 426 HD2 LYS 58 HD2 LYS 58 32.447 19.121 5.256 427 HD3 LYS 58 HD1 LYS 58 32.877 20.828 5.384 428 HE2 LYS 58 HE2 LYS 58 32.703 19.868 7.623 429 HE3 LYS 58 HE1 LYS 58 31.392 21.021 7.372 430 HZ1 LYS 58 HZ3 LYS 58 30.555 19.000 8.356 431 HZ2 LYS 58 HZ1 LYS 58 31.205 18.070 7.095 432 HZ3 LYS 58 HZ2 LYS 58 29.943 19.164 6.781 433 H ASP 59 HN ASP 59 31.246 22.967 2.344 434 HA ASP 59 HA ASP 59 29.805 24.692 4.013 435 HB2 ASP 59 HB2 ASP 59 32.101 25.153 3.287 436 HB3 ASP 59 HB1 ASP 59 31.542 25.377 1.630 437 H LYS 60 HN LYS 60 29.595 24.209 0.485 438 HA LYS 60 HA LYS 60 27.681 26.226 0.012 439 HB2 LYS 60 HB2 LYS 60 29.189 24.994 -1.663 440 HB3 LYS 60 HB1 LYS 60 28.017 23.682 -1.587 441 HG2 LYS 60 HG2 LYS 60 26.237 25.204 -2.338 442 HG3 LYS 60 HG1 LYS 60 27.386 26.542 -2.369 443 HD2 LYS 60 HD2 LYS 60 28.737 25.343 -4.058 444 HD3 LYS 60 HD1 LYS 60 27.570 24.019 -4.041 445 HE2 LYS 60 HE2 LYS 60 25.792 25.592 -4.753 446 HE3 LYS 60 HE1 LYS 60 26.981 26.891 -4.814 447 HZ1 LYS 60 HZ3 LYS 60 28.160 25.008 -6.311 448 HZ2 LYS 60 HZ1 LYS 60 27.188 26.251 -6.936 449 HZ3 LYS 60 HZ2 LYS 60 26.524 24.714 -6.661 450 H PHE 61 HN PHE 61 27.372 23.294 1.619 451 HA PHE 61 HA PHE 61 24.748 22.558 0.823 452 HD1 PHE 61 HD2 PHE 61 24.288 19.925 1.122 453 HD2 PHE 61 HD1 PHE 61 24.111 21.983 4.888 454 HE1 PHE 61 HE2 PHE 61 22.210 18.698 1.696 455 HE2 PHE 61 HE1 PHE 61 22.034 20.757 5.462 456 HZ PHE 61 HZ PHE 61 21.084 19.113 3.866 457 HB2 PHE 61 HB2 PHE 61 26.297 21.094 2.144 458 HB3 PHE 61 HB1 PHE 61 26.049 22.157 3.529 459 H SER 62 HN SER 62 26.069 25.078 2.765 460 HA SER 62 HA SER 62 23.706 25.614 4.324 461 HG SER 62 HG SER 62 24.053 28.316 4.948 462 HB2 SER 62 HB2 SER 62 26.112 26.383 4.830 463 HB3 SER 62 HB1 SER 62 25.797 27.679 3.680 464 H GLU 63 HN GLU 63 25.152 27.225 1.496 465 HA GLU 63 HA GLU 63 22.937 28.991 1.116 466 HB2 GLU 63 HB2 GLU 63 25.239 29.504 0.357 467 HB3 GLU 63 HB1 GLU 63 25.106 28.218 -0.843 468 HG2 GLU 63 HG2 GLU 63 23.195 29.358 -1.885 469 HG3 GLU 63 HG1 GLU 63 23.275 30.627 -0.663 470 H PHE 64 HN PHE 64 23.765 25.802 -0.092 471 HA PHE 64 HA PHE 64 22.142 25.700 -2.341 472 HD1 PHE 64 HD2 PHE 64 22.593 23.869 -4.076 473 HD2 PHE 64 HD1 PHE 64 21.068 21.908 -0.572 474 HE1 PHE 64 HE2 PHE 64 21.230 22.372 -5.507 475 HE2 PHE 64 HE1 PHE 64 19.706 20.409 -2.004 476 HZ PHE 64 HZ PHE 64 19.788 20.640 -4.472 477 HB2 PHE 64 HB2 PHE 64 23.755 23.953 -1.761 478 HB3 PHE 64 HB1 PHE 64 22.788 23.504 -0.358 479 H TRP 65 HN TRP 65 21.191 26.243 0.828 480 HA TRP 65 HA TRP 65 18.664 24.833 0.728 481 HD1 TRP 65 HD1 TRP 65 17.498 23.763 2.664 482 HE1 TRP 65 HE1 TRP 65 15.273 24.255 3.869 483 HE3 TRP 65 HE3 TRP 65 18.117 28.731 3.657 484 HZ2 TRP 65 HZ2 TRP 65 13.935 26.466 5.093 485 HZ3 TRP 65 HZ3 TRP 65 16.356 30.006 4.845 486 HH2 TRP 65 HH2 TRP 65 14.267 28.880 5.564 487 HB2 TRP 65 HB2 TRP 65 19.892 25.322 2.850 488 HB3 TRP 65 HB1 TRP 65 19.566 27.037 2.598 489 H ASP 66 HN ASP 66 19.652 28.262 0.645 490 HA ASP 66 HA ASP 66 16.997 29.111 -0.310 491 HB2 ASP 66 HB2 ASP 66 19.534 30.597 0.450 492 HB3 ASP 66 HB1 ASP 66 18.134 31.399 -0.259 493 H LEU 67 HN LEU 67 16.564 28.858 -2.327 494 HA LEU 67 HA LEU 67 18.636 28.966 -4.385 495 HG LEU 67 HG LEU 67 16.721 25.948 -5.059 496 HB2 LEU 67 HB2 LEU 67 15.775 28.048 -4.312 497 HB3 LEU 67 HB1 LEU 67 16.581 28.335 -5.850 498 HD11 LEU 67 HD11 LEU 67 18.593 27.331 -6.408 499 HD12 LEU 67 HD12 LEU 67 18.828 25.652 -5.934 500 HD13 LEU 67 HD13 LEU 67 19.547 26.941 -4.974 501 HD21 LEU 67 HD23 LEU 67 17.949 25.368 -3.110 502 HD22 LEU 67 HD21 LEU 67 16.927 26.714 -2.607 503 HD23 LEU 67 HD22 LEU 67 18.632 26.988 -2.962 504 H ASP 68 HN ASP 68 17.370 29.932 -6.520 505 HA ASP 68 HA ASP 68 17.670 32.695 -6.306 506 HB2 ASP 68 HB2 ASP 68 16.677 30.726 -8.270 507 HB3 ASP 68 HB1 ASP 68 15.973 32.321 -8.490 508 HA PRO 69 HA PRO 69 14.106 34.569 -4.577 509 HB2 PRO 69 HB2 PRO 69 13.002 35.823 -6.951 510 HB3 PRO 69 HB1 PRO 69 13.967 36.576 -5.669 511 HG2 PRO 69 HG2 PRO 69 14.811 35.602 -8.321 512 HG3 PRO 69 HG1 PRO 69 15.574 36.805 -7.267 513 HD2 PRO 69 HD2 PRO 69 16.644 34.339 -7.663 514 HD3 PRO 69 HD1 PRO 69 16.810 35.205 -6.120 515 H GLU 70 HN GLU 70 13.848 32.356 -7.152 516 HA GLU 70 HA GLU 70 11.052 31.720 -6.398 517 HB2 GLU 70 HB2 GLU 70 12.183 31.743 -9.206 518 HB3 GLU 70 HB1 GLU 70 10.581 31.165 -8.743 519 HG2 GLU 70 HG2 GLU 70 9.975 33.383 -7.923 520 HG3 GLU 70 HG1 GLU 70 11.586 33.986 -8.311 521 H VAL 71 HN VAL 71 11.069 29.844 -5.484 522 HA VAL 71 HA VAL 71 13.055 27.795 -6.300 523 HB VAL 71 HB VAL 71 11.203 27.627 -3.920 524 HG11 VAL 71 HG11 VAL 71 12.547 25.641 -4.767 525 HG12 VAL 71 HG12 VAL 71 12.831 26.078 -3.084 526 HG13 VAL 71 HG13 VAL 71 13.999 26.535 -4.323 527 HG21 VAL 71 HG23 VAL 71 13.286 28.534 -2.655 528 HG22 VAL 71 HG21 VAL 71 12.247 29.693 -3.481 529 HG23 VAL 71 HG22 VAL 71 13.767 29.195 -4.217 530 H ARG 72 HN ARG 72 11.989 27.054 -8.189 531 HA ARG 72 HA ARG 72 9.441 25.619 -7.676 532 HE ARG 72 HE ARG 72 10.225 29.011 -11.797 533 HB2 ARG 72 HB2 ARG 72 9.826 26.363 -10.501 534 HB3 ARG 72 HB1 ARG 72 8.394 26.508 -9.482 535 HG2 ARG 72 HG2 ARG 72 8.969 28.734 -9.993 536 HG3 ARG 72 HG1 ARG 72 9.616 28.498 -8.369 537 HD2 ARG 72 HD2 ARG 72 11.595 29.227 -9.241 538 HD3 ARG 72 HD1 ARG 72 11.713 27.668 -10.025 539 HH11 ARG 72 HH21 ARG 72 13.121 29.785 -10.079 540 HH12 ARG 72 HH22 ARG 72 13.682 30.926 -11.255 541 HH21 ARG 72 HH11 ARG 72 10.902 30.552 -13.305 542 HH22 ARG 72 HH12 ARG 72 12.417 31.361 -13.092 543 HA PRO 73 HA PRO 73 11.968 22.128 -8.887 544 HB2 PRO 73 HB2 PRO 73 9.713 20.525 -9.719 545 HB3 PRO 73 HB1 PRO 73 10.641 20.397 -8.219 546 HG2 PRO 73 HG2 PRO 73 7.990 21.446 -8.611 547 HG3 PRO 73 HG1 PRO 73 8.871 21.209 -7.095 548 HD2 PRO 73 HD2 PRO 73 8.277 23.707 -8.364 549 HD3 PRO 73 HD1 PRO 73 9.283 23.447 -6.925 550 H THR 74 HN THR 74 9.747 23.825 -10.897 551 HA THR 74 HA THR 74 10.289 22.323 -13.316 552 HB THR 74 HB THR 74 8.961 24.013 -14.440 553 HG1 THR 74 HG1 THR 74 9.244 25.372 -11.973 554 HG21 THR 74 HG23 THR 74 7.784 23.428 -11.714 555 HG22 THR 74 HG21 THR 74 7.842 22.266 -13.038 556 HG23 THR 74 HG22 THR 74 6.895 23.744 -13.204 557 H SER 75 HN SER 75 10.871 25.755 -12.637 558 HA SER 75 HA SER 75 12.708 26.077 -14.723 559 HG SER 75 HG SER 75 10.581 27.440 -13.163 560 HB2 SER 75 HB2 SER 75 12.636 27.645 -12.148 561 HB3 SER 75 HB1 SER 75 13.279 28.182 -13.694 562 H ALA 76 HN ALA 76 13.145 25.048 -11.376 563 HA ALA 76 HA ALA 76 15.900 25.312 -11.133 564 HB1 ALA 76 HB3 ALA 76 14.038 23.183 -10.061 565 HB2 ALA 76 HB1 ALA 76 14.607 24.630 -9.229 566 HB3 ALA 76 HB2 ALA 76 15.732 23.321 -9.589 567 H VAL 77 HN VAL 77 14.208 22.305 -12.037 568 HA VAL 77 HA VAL 77 16.513 20.967 -12.939 569 HB VAL 77 HB VAL 77 13.607 20.598 -13.707 570 HG11 VAL 77 HG11 VAL 77 14.851 19.596 -15.476 571 HG12 VAL 77 HG12 VAL 77 14.468 18.271 -14.377 572 HG13 VAL 77 HG13 VAL 77 16.080 18.987 -14.369 573 HG21 VAL 77 HG23 VAL 77 15.416 19.031 -11.842 574 HG22 VAL 77 HG21 VAL 77 13.695 18.755 -12.111 575 HG23 VAL 77 HG22 VAL 77 14.238 20.233 -11.313 576 H ALA 78 HN ALA 78 14.012 22.742 -14.807 577 HA ALA 78 HA ALA 78 15.331 22.439 -17.304 578 HB1 ALA 78 HB3 ALA 78 13.824 24.329 -18.000 579 HB2 ALA 78 HB1 ALA 78 13.280 24.433 -16.325 580 HB3 ALA 78 HB2 ALA 78 12.984 22.966 -17.258 581 H ALA 79 HN ALA 79 16.164 24.173 -14.598 582 HA ALA 79 HA ALA 79 18.399 25.439 -15.787 583 HB1 ALA 79 HB3 ALA 79 16.938 27.012 -16.799 584 HB2 ALA 79 HB1 ALA 79 17.600 27.834 -15.387 585 HB3 ALA 79 HB2 ALA 79 15.968 27.167 -15.335 Start of MODEL 5 1 HA SER 1 HA SER 1 3.357 -26.062 15.223 2 HG SER 1 HG SER 1 4.954 -28.269 14.930 3 H1 SER 1 HT1 SER 1 1.630 -27.146 14.263 4 H2 SER 1 HT2 SER 1 2.191 -26.901 12.677 5 H3 SER 1 HT3 SER 1 1.422 -25.638 13.514 6 HB2 SER 1 HB2 SER 1 4.386 -27.012 12.537 7 HB3 SER 1 HB1 SER 1 5.441 -26.503 13.853 8 H GLU 2 HN GLU 2 1.820 -24.462 12.863 9 HA GLU 2 HA GLU 2 3.217 -21.999 13.371 10 HB2 GLU 2 HB2 GLU 2 4.622 -23.064 11.579 11 HB3 GLU 2 HB1 GLU 2 3.212 -23.019 10.522 12 HG2 GLU 2 HG2 GLU 2 4.529 -21.054 10.053 13 HG3 GLU 2 HG1 GLU 2 3.093 -20.527 10.925 14 H ALA 3 HN ALA 3 1.809 -20.345 13.229 15 HA ALA 3 HA ALA 3 -0.921 -20.778 12.794 16 HB1 ALA 3 HB3 ALA 3 -1.169 -18.392 13.058 17 HB2 ALA 3 HB1 ALA 3 0.530 -18.125 12.667 18 HB3 ALA 3 HB2 ALA 3 0.087 -18.930 14.173 19 H GLU 4 HN GLU 4 -1.657 -21.401 10.905 20 HA GLU 4 HA GLU 4 -0.555 -20.710 8.379 21 HB2 GLU 4 HB2 GLU 4 -3.238 -21.869 9.160 22 HB3 GLU 4 HB1 GLU 4 -2.701 -21.686 7.491 23 HG2 GLU 4 HG2 GLU 4 -0.759 -23.112 7.927 24 HG3 GLU 4 HG1 GLU 4 -1.215 -23.246 9.623 25 H ASP 5 HN ASP 5 -2.672 -19.077 10.522 26 HA ASP 5 HA ASP 5 -4.209 -17.561 8.701 27 HB2 ASP 5 HB2 ASP 5 -4.637 -17.790 11.168 28 HB3 ASP 5 HB1 ASP 5 -3.297 -16.677 11.444 29 H ALA 6 HN ALA 6 -0.975 -17.128 9.997 30 HA ALA 6 HA ALA 6 -0.517 -14.485 9.366 31 HB1 ALA 6 HB3 ALA 6 1.519 -16.689 9.020 32 HB2 ALA 6 HB1 ALA 6 1.017 -16.101 10.604 33 HB3 ALA 6 HB2 ALA 6 1.810 -15.008 9.468 34 H SER 7 HN SER 7 -0.042 -13.411 7.591 35 HA SER 7 HA SER 7 -0.682 -14.524 5.043 36 HG SER 7 HG SER 7 -0.148 -11.264 3.726 37 HB2 SER 7 HB2 SER 7 -1.250 -12.230 5.479 38 HB3 SER 7 HB1 SER 7 0.421 -11.838 5.883 39 H LEU 8 HN LEU 8 0.849 -13.837 3.191 40 HA LEU 8 HA LEU 8 3.083 -15.518 3.202 41 HG LEU 8 HG LEU 8 0.635 -14.362 1.474 42 HB2 LEU 8 HB2 LEU 8 2.751 -13.102 1.422 43 HB3 LEU 8 HB1 LEU 8 3.634 -14.586 1.070 44 HD11 LEU 8 HD11 LEU 8 1.536 -13.428 -0.671 45 HD12 LEU 8 HD12 LEU 8 0.498 -14.834 -0.913 46 HD13 LEU 8 HD13 LEU 8 2.251 -15.003 -1.012 47 HD21 LEU 8 HD23 LEU 8 2.506 -16.696 1.037 48 HD22 LEU 8 HD21 LEU 8 0.819 -16.783 0.525 49 HD23 LEU 8 HD22 LEU 8 1.212 -16.528 2.224 50 H LEU 9 HN LEU 9 2.794 -12.774 5.005 51 HA LEU 9 HA LEU 9 5.408 -11.629 4.580 52 HG LEU 9 HG LEU 9 4.587 -9.374 4.540 53 HB2 LEU 9 HB2 LEU 9 3.129 -11.174 6.500 54 HB3 LEU 9 HB1 LEU 9 4.696 -10.410 6.764 55 HD11 LEU 9 HD11 LEU 9 2.029 -10.977 4.367 56 HD12 LEU 9 HD12 LEU 9 3.374 -10.929 3.226 57 HD13 LEU 9 HD13 LEU 9 2.287 -9.549 3.365 58 HD21 LEU 9 HD23 LEU 9 3.637 -8.055 6.319 59 HD22 LEU 9 HD21 LEU 9 2.144 -8.996 6.295 60 HD23 LEU 9 HD22 LEU 9 2.537 -7.930 4.947 61 H SER 10 HN SER 10 4.239 -14.366 6.065 62 HA SER 10 HA SER 10 5.712 -14.427 8.482 63 HG SER 10 HG SER 10 3.333 -16.078 8.960 64 HB2 SER 10 HB2 SER 10 4.865 -16.810 6.835 65 HB3 SER 10 HB1 SER 10 5.261 -16.804 8.551 66 H PHE 11 HN PHE 11 6.394 -16.323 5.583 67 HA PHE 11 HA PHE 11 8.855 -17.282 6.220 68 HD1 PHE 11 HD2 PHE 11 9.667 -19.312 4.579 69 HD2 PHE 11 HD1 PHE 11 10.205 -15.502 2.673 70 HE1 PHE 11 HE2 PHE 11 11.898 -20.032 3.771 71 HE2 PHE 11 HE1 PHE 11 12.435 -16.222 1.863 72 HZ PHE 11 HZ PHE 11 13.281 -18.487 2.410 73 HB2 PHE 11 HB2 PHE 11 7.742 -17.757 4.085 74 HB3 PHE 11 HB1 PHE 11 8.074 -16.114 3.538 75 H MET 12 HN MET 12 8.259 -14.100 4.721 76 HA MET 12 HA MET 12 10.956 -13.266 4.757 77 HB2 MET 12 HB2 MET 12 9.079 -12.231 3.424 78 HB3 MET 12 HB1 MET 12 8.534 -11.462 4.915 79 HG2 MET 12 HG2 MET 12 9.933 -9.861 3.806 80 HG3 MET 12 HG1 MET 12 10.883 -10.506 5.142 81 HE1 MET 12 HE3 MET 12 10.992 -9.546 1.541 82 HE2 MET 12 HE1 MET 12 9.895 -10.933 1.483 83 HE3 MET 12 HE2 MET 12 11.451 -11.001 0.659 84 H GLN 13 HN GLN 13 8.301 -12.245 6.877 85 HA GLN 13 HA GLN 13 9.519 -10.675 8.703 86 HB2 GLN 13 HB2 GLN 13 7.173 -11.319 8.917 87 HB3 GLN 13 HB1 GLN 13 7.643 -12.951 9.392 88 HG2 GLN 13 HG2 GLN 13 8.713 -12.114 11.408 89 HG3 GLN 13 HG1 GLN 13 8.440 -10.447 10.903 90 HE21 GLN 13 HE21 GLN 13 6.677 -9.534 11.940 91 HE22 GLN 13 HE22 GLN 13 5.294 -10.379 12.445 92 H GLY 14 HN GLY 14 9.481 -14.238 9.056 93 HA2 GLY 14 HA2 GLY 14 11.359 -14.258 11.188 94 HA3 GLY 14 HA1 GLY 14 10.861 -15.646 10.227 95 H TYR 15 HN TYR 15 11.689 -14.673 7.679 96 HA TYR 15 HA TYR 15 14.251 -15.623 7.481 97 HD1 TYR 15 HD2 TYR 15 14.743 -16.634 4.986 98 HD2 TYR 15 HD1 TYR 15 15.060 -12.350 5.001 99 HE1 TYR 15 HE2 TYR 15 16.812 -16.784 3.631 100 HE2 TYR 15 HE1 TYR 15 17.131 -12.501 3.642 101 HH TYR 15 HH TYR 15 18.168 -15.498 2.206 102 HB2 TYR 15 HB2 TYR 15 12.799 -15.143 5.525 103 HB3 TYR 15 HB1 TYR 15 13.067 -13.420 5.775 104 H MET 16 HN MET 16 13.540 -12.171 7.392 105 HA MET 16 HA MET 16 16.185 -11.349 7.740 106 HB2 MET 16 HB2 MET 16 13.619 -10.036 8.681 107 HB3 MET 16 HB1 MET 16 15.194 -9.245 8.693 108 HG2 MET 16 HG2 MET 16 15.376 -9.565 6.254 109 HG3 MET 16 HG1 MET 16 13.794 -10.346 6.238 110 HE1 MET 16 HE3 MET 16 12.633 -8.777 4.595 111 HE2 MET 16 HE1 MET 16 14.246 -8.101 4.329 112 HE3 MET 16 HE2 MET 16 12.867 -7.030 4.571 113 H LYS 17 HN LYS 17 13.811 -12.500 10.073 114 HA LYS 17 HA LYS 17 15.243 -11.656 12.385 115 HB2 LYS 17 HB2 LYS 17 12.802 -12.550 12.207 116 HB3 LYS 17 HB1 LYS 17 13.544 -14.142 12.338 117 HG2 LYS 17 HG2 LYS 17 14.567 -13.558 14.456 118 HG3 LYS 17 HG1 LYS 17 13.993 -11.895 14.318 119 HD2 LYS 17 HD2 LYS 17 11.672 -12.658 14.387 120 HD3 LYS 17 HD1 LYS 17 12.207 -14.337 14.462 121 HE2 LYS 17 HE2 LYS 17 11.650 -13.529 16.710 122 HE3 LYS 17 HE1 LYS 17 13.381 -13.851 16.594 123 HZ1 LYS 17 HZ3 LYS 17 12.457 -11.603 17.563 124 HZ2 LYS 17 HZ1 LYS 17 12.437 -11.165 15.925 125 HZ3 LYS 17 HZ2 LYS 17 13.891 -11.654 16.656 126 H HIS 18 HN HIS 18 15.207 -14.696 10.552 127 HA HIS 18 HA HIS 18 17.218 -15.934 12.177 128 HD1 HIS 18 HD1 HIS 18 16.357 -18.333 12.872 129 HD2 HIS 18 HD2 HIS 18 13.450 -17.007 10.195 130 HE1 HIS 18 HE1 HIS 18 14.125 -19.064 13.819 131 HB2 HIS 18 HB2 HIS 18 16.101 -16.647 9.466 132 HB3 HIS 18 HB1 HIS 18 17.227 -17.656 10.375 133 H ALA 19 HN ALA 19 17.250 -14.547 8.853 134 HA ALA 19 HA ALA 19 19.954 -15.071 8.375 135 HB1 ALA 19 HB3 ALA 19 18.200 -12.842 7.325 136 HB2 ALA 19 HB1 ALA 19 18.472 -14.411 6.568 137 HB3 ALA 19 HB2 ALA 19 19.789 -13.243 6.674 138 H THR 20 HN THR 20 18.549 -12.804 10.443 139 HA THR 20 HA THR 20 20.684 -10.897 10.491 140 HB THR 20 HB THR 20 18.505 -11.624 12.461 141 HG1 THR 20 HG1 THR 20 17.475 -10.289 11.256 142 HG21 THR 20 HG23 THR 20 20.202 -10.786 13.885 143 HG22 THR 20 HG21 THR 20 19.188 -9.387 13.537 144 HG23 THR 20 HG22 THR 20 20.724 -9.593 12.696 145 H LYS 21 HN LYS 21 20.300 -14.080 11.727 146 HA LYS 21 HA LYS 21 22.200 -13.885 13.871 147 HB2 LYS 21 HB2 LYS 21 20.970 -16.222 12.437 148 HB3 LYS 21 HB1 LYS 21 22.313 -16.464 13.548 149 HG2 LYS 21 HG2 LYS 21 20.052 -16.691 14.633 150 HG3 LYS 21 HG1 LYS 21 21.084 -15.469 15.372 151 HD2 LYS 21 HD2 LYS 21 19.904 -13.686 14.251 152 HD3 LYS 21 HD1 LYS 21 18.992 -14.837 13.271 153 HE2 LYS 21 HE2 LYS 21 17.595 -14.056 15.106 154 HE3 LYS 21 HE1 LYS 21 17.998 -15.754 15.371 155 HZ1 LYS 21 HZ3 LYS 21 19.238 -15.269 17.159 156 HZ2 LYS 21 HZ1 LYS 21 18.346 -13.827 17.194 157 HZ3 LYS 21 HZ2 LYS 21 19.884 -13.855 16.473 158 H THR 22 HN THR 22 22.440 -14.702 10.449 159 HA THR 22 HA THR 22 25.050 -15.686 10.419 160 HB THR 22 HB THR 22 23.233 -15.455 8.533 161 HG1 THR 22 HG1 THR 22 25.735 -15.062 7.469 162 HG21 THR 22 HG23 THR 22 23.404 -13.630 7.080 163 HG22 THR 22 HG21 THR 22 25.018 -13.203 7.652 164 HG23 THR 22 HG22 THR 22 23.608 -12.850 8.648 165 H ALA 23 HN ALA 23 24.034 -12.548 11.189 166 HA ALA 23 HA ALA 23 25.963 -10.856 10.237 167 HB1 ALA 23 HB3 ALA 23 25.437 -9.425 12.068 168 HB2 ALA 23 HB1 ALA 23 24.946 -10.785 13.077 169 HB3 ALA 23 HB2 ALA 23 23.957 -10.306 11.697 170 H LYS 24 HN LYS 24 26.123 -12.724 13.293 171 HA LYS 24 HA LYS 24 28.650 -12.005 14.140 172 HB2 LYS 24 HB2 LYS 24 27.034 -13.443 15.365 173 HB3 LYS 24 HB1 LYS 24 27.423 -14.765 14.272 174 HG2 LYS 24 HG2 LYS 24 29.732 -14.776 15.010 175 HG3 LYS 24 HG1 LYS 24 29.468 -13.327 15.979 176 HD2 LYS 24 HD2 LYS 24 29.378 -15.198 17.489 177 HD3 LYS 24 HD1 LYS 24 27.728 -14.621 17.282 178 HE2 LYS 24 HE2 LYS 24 27.154 -16.431 15.855 179 HE3 LYS 24 HE1 LYS 24 28.845 -16.857 15.581 180 HZ1 LYS 24 HZ3 LYS 24 28.680 -18.248 17.278 181 HZ2 LYS 24 HZ1 LYS 24 27.105 -17.725 17.630 182 HZ3 LYS 24 HZ2 LYS 24 28.437 -16.927 18.319 183 H ASP 25 HN ASP 25 28.139 -15.122 12.687 184 HA ASP 25 HA ASP 25 30.679 -15.794 11.973 185 HB2 ASP 25 HB2 ASP 25 28.130 -16.410 10.454 186 HB3 ASP 25 HB1 ASP 25 29.684 -17.145 10.071 187 H ALA 26 HN ALA 26 28.403 -13.812 10.144 188 HA ALA 26 HA ALA 26 30.104 -13.383 7.896 189 HB1 ALA 26 HB3 ALA 26 27.799 -11.759 8.993 190 HB2 ALA 26 HB1 ALA 26 27.701 -13.005 7.750 191 HB3 ALA 26 HB2 ALA 26 28.559 -11.497 7.423 192 H LEU 27 HN LEU 27 29.487 -11.621 10.940 193 HA LEU 27 HA LEU 27 31.058 -9.347 10.381 194 HG LEU 27 HG LEU 27 30.387 -7.709 11.889 195 HB2 LEU 27 HB2 LEU 27 29.859 -10.560 12.769 196 HB3 LEU 27 HB1 LEU 27 31.344 -9.695 13.138 197 HD11 LEU 27 HD11 LEU 27 28.077 -7.661 11.309 198 HD12 LEU 27 HD12 LEU 27 27.755 -9.172 12.156 199 HD13 LEU 27 HD13 LEU 27 28.684 -9.181 10.659 200 HD21 LEU 27 HD23 LEU 27 30.324 -7.974 14.381 201 HD22 LEU 27 HD21 LEU 27 28.729 -8.710 14.228 202 HD23 LEU 27 HD22 LEU 27 28.973 -7.029 13.756 203 H SER 28 HN SER 28 31.988 -12.361 11.914 204 HA SER 28 HA SER 28 34.664 -11.685 12.459 205 HG SER 28 HG SER 28 33.249 -14.460 14.003 206 HB2 SER 28 HB2 SER 28 33.340 -14.338 11.871 207 HB3 SER 28 HB1 SER 28 35.047 -14.203 12.291 208 H SER 29 HN SER 29 32.978 -12.570 9.594 209 HA SER 29 HA SER 29 35.341 -13.163 8.016 210 HG SER 29 HG SER 29 31.785 -12.046 7.136 211 HB2 SER 29 HB2 SER 29 33.945 -13.477 6.188 212 HB3 SER 29 HB1 SER 29 32.864 -13.834 7.532 213 H VAL 30 HN VAL 30 34.440 -10.297 9.358 214 HA VAL 30 HA VAL 30 34.550 -8.413 7.298 215 HB VAL 30 HB VAL 30 33.898 -7.869 9.599 216 HG11 VAL 30 HG11 VAL 30 35.751 -9.318 10.595 217 HG12 VAL 30 HG12 VAL 30 35.482 -7.765 11.384 218 HG13 VAL 30 HG13 VAL 30 36.842 -7.971 10.281 219 HG21 VAL 30 HG23 VAL 30 35.021 -6.181 7.883 220 HG22 VAL 30 HG21 VAL 30 36.328 -6.173 9.067 221 HG23 VAL 30 HG22 VAL 30 34.706 -5.675 9.542 222 H GLN 31 HN GLN 31 36.928 -10.584 7.916 223 HA GLN 31 HA GLN 31 39.388 -9.357 8.001 224 HB2 GLN 31 HB2 GLN 31 40.097 -11.213 6.298 225 HB3 GLN 31 HB1 GLN 31 39.419 -11.722 7.847 226 HG2 GLN 31 HG2 GLN 31 37.322 -12.238 6.912 227 HG3 GLN 31 HG1 GLN 31 37.616 -11.268 5.471 228 HE21 GLN 31 HE21 GLN 31 36.904 -14.203 5.691 229 HE22 GLN 31 HE22 GLN 31 38.140 -15.011 4.854 230 H GLU 32 HN GLU 32 37.037 -8.805 5.646 231 HA GLU 32 HA GLU 32 38.825 -8.038 3.534 232 HB2 GLU 32 HB2 GLU 32 36.408 -8.715 3.227 233 HB3 GLU 32 HB1 GLU 32 35.953 -7.184 3.972 234 HG2 GLU 32 HG2 GLU 32 37.054 -5.930 2.216 235 HG3 GLU 32 HG1 GLU 32 37.730 -7.406 1.529 236 H SER 33 HN SER 33 38.226 -6.834 6.572 237 HA SER 33 HA SER 33 37.950 -4.083 6.300 238 HG SER 33 HG SER 33 39.388 -3.108 8.778 239 HB2 SER 33 HB2 SER 33 37.951 -4.628 8.545 240 HB3 SER 33 HB1 SER 33 39.209 -5.849 8.354 241 H GLN 34 HN GLN 34 40.456 -6.124 5.270 242 HA GLN 34 HA GLN 34 42.762 -4.623 5.472 243 HB2 GLN 34 HB2 GLN 34 41.761 -6.202 3.103 244 HB3 GLN 34 HB1 GLN 34 43.395 -5.547 3.215 245 HG2 GLN 34 HG2 GLN 34 43.799 -6.811 5.264 246 HG3 GLN 34 HG1 GLN 34 42.143 -7.415 5.245 247 HE21 GLN 34 HE21 GLN 34 45.266 -8.262 4.404 248 HE22 GLN 34 HE22 GLN 34 44.918 -9.419 3.213 249 H VAL 35 HN VAL 35 39.878 -3.612 3.976 250 HA VAL 35 HA VAL 35 40.398 -2.094 1.822 251 HB VAL 35 HB VAL 35 38.947 -0.885 4.178 252 HG11 VAL 35 HG11 VAL 35 39.127 0.533 2.192 253 HG12 VAL 35 HG12 VAL 35 37.467 -0.039 2.359 254 HG13 VAL 35 HG13 VAL 35 38.540 -0.781 1.173 255 HG21 VAL 35 HG23 VAL 35 38.091 -3.094 4.132 256 HG22 VAL 35 HG21 VAL 35 38.163 -3.177 2.371 257 HG23 VAL 35 HG22 VAL 35 36.949 -2.168 3.160 258 H ALA 36 HN ALA 36 41.876 -1.648 4.895 259 HA ALA 36 HA ALA 36 42.611 1.060 4.896 260 HB1 ALA 36 HB3 ALA 36 44.609 0.315 6.165 261 HB2 ALA 36 HB1 ALA 36 44.250 -1.354 5.723 262 HB3 ALA 36 HB2 ALA 36 43.138 -0.455 6.756 263 H GLN 37 HN GLN 37 44.686 -1.593 3.771 264 HA GLN 37 HA GLN 37 46.647 -0.206 2.485 265 HB2 GLN 37 HB2 GLN 37 45.294 -2.718 1.477 266 HB3 GLN 37 HB1 GLN 37 46.807 -2.084 0.832 267 HG2 GLN 37 HG2 GLN 37 47.865 -2.282 3.029 268 HG3 GLN 37 HG1 GLN 37 46.347 -2.837 3.733 269 HE21 GLN 37 HE21 GLN 37 49.258 -3.998 2.602 270 HE22 GLN 37 HE22 GLN 37 48.772 -5.557 2.139 271 H GLN 38 HN GLN 38 43.445 -1.001 1.098 272 HA GLN 38 HA GLN 38 43.842 0.252 -1.406 273 HB2 GLN 38 HB2 GLN 38 41.972 -1.332 -0.744 274 HB3 GLN 38 HB1 GLN 38 41.244 0.014 0.123 275 HG2 GLN 38 HG2 GLN 38 41.132 1.321 -1.944 276 HG3 GLN 38 HG1 GLN 38 41.891 -0.004 -2.831 277 HE21 GLN 38 HE21 GLN 38 39.276 0.889 -3.553 278 HE22 GLN 38 HE22 GLN 38 38.164 -0.329 -3.154 279 H ALA 39 HN ALA 39 42.059 1.371 1.431 280 HA ALA 39 HA ALA 39 41.483 3.974 0.696 281 HB1 ALA 39 HB3 ALA 39 41.578 4.628 3.056 282 HB2 ALA 39 HB1 ALA 39 42.503 3.178 3.437 283 HB3 ALA 39 HB2 ALA 39 40.828 3.039 2.901 284 H ARG 40 HN ARG 40 44.462 2.939 2.378 285 HA ARG 40 HA ARG 40 45.852 5.370 2.151 286 HE ARG 40 HE ARG 40 48.745 4.346 4.330 287 HB2 ARG 40 HB2 ARG 40 47.046 2.584 2.113 288 HB3 ARG 40 HB1 ARG 40 47.882 4.060 2.587 289 HG2 ARG 40 HG2 ARG 40 45.374 3.163 4.009 290 HG3 ARG 40 HG1 ARG 40 46.950 2.527 4.466 291 HD2 ARG 40 HD2 ARG 40 46.153 5.453 4.428 292 HD3 ARG 40 HD1 ARG 40 46.394 4.460 5.859 293 HH11 ARG 40 HH21 ARG 40 46.843 6.563 6.188 294 HH12 ARG 40 HH22 ARG 40 48.182 7.582 6.595 295 HH21 ARG 40 HH11 ARG 40 50.495 5.691 4.833 296 HH22 ARG 40 HH12 ARG 40 50.253 7.088 5.828 297 H GLY 41 HN GLY 41 44.815 3.412 -0.154 298 HA2 GLY 41 HA2 GLY 41 46.929 3.742 -2.138 299 HA3 GLY 41 HA1 GLY 41 45.323 3.080 -2.449 300 H TRP 42 HN TRP 42 43.555 4.778 -1.999 301 HA TRP 42 HA TRP 42 43.531 6.625 -4.023 302 HD1 TRP 42 HD1 TRP 42 40.873 4.461 -1.562 303 HE1 TRP 42 HE1 TRP 42 39.392 3.311 -3.331 304 HE3 TRP 42 HE3 TRP 42 41.432 7.727 -5.461 305 HZ2 TRP 42 HZ2 TRP 42 38.554 3.714 -6.030 306 HZ3 TRP 42 HZ3 TRP 42 40.276 7.314 -7.616 307 HH2 TRP 42 HH2 TRP 42 38.839 5.314 -7.905 308 HB2 TRP 42 HB2 TRP 42 42.060 6.727 -1.388 309 HB3 TRP 42 HB1 TRP 42 41.778 7.895 -2.676 310 H VAL 43 HN VAL 43 45.189 6.893 -1.053 311 HA VAL 43 HA VAL 43 45.422 9.690 -0.767 312 HB VAL 43 HB VAL 43 47.347 7.468 -0.082 313 HG11 VAL 43 HG11 VAL 43 47.288 10.401 0.635 314 HG12 VAL 43 HG12 VAL 43 48.616 9.478 -0.070 315 HG13 VAL 43 HG13 VAL 43 48.150 9.210 1.609 316 HG21 VAL 43 HG23 VAL 43 45.247 8.942 1.536 317 HG22 VAL 43 HG21 VAL 43 46.361 7.734 2.177 318 HG23 VAL 43 HG22 VAL 43 45.146 7.270 0.985 319 H THR 44 HN THR 44 47.644 7.387 -2.266 320 HA THR 44 HA THR 44 49.486 9.235 -3.288 321 HB THR 44 HB THR 44 48.758 6.658 -4.693 322 HG1 THR 44 HG1 THR 44 50.138 7.182 -2.309 323 HG21 THR 44 HG23 THR 44 51.436 8.031 -4.381 324 HG22 THR 44 HG21 THR 44 50.362 8.331 -5.748 325 HG23 THR 44 HG22 THR 44 51.019 6.717 -5.480 326 H ASP 45 HN ASP 45 46.454 8.055 -4.598 327 HA ASP 45 HA ASP 45 46.709 9.379 -7.127 328 HB2 ASP 45 HB2 ASP 45 44.381 8.162 -5.638 329 HB3 ASP 45 HB1 ASP 45 44.207 8.921 -7.219 330 H GLY 46 HN GLY 46 47.008 10.937 -4.520 331 HA2 GLY 46 HA2 GLY 46 46.528 13.094 -3.811 332 HA3 GLY 46 HA1 GLY 46 45.855 13.359 -5.416 333 H PHE 47 HN PHE 47 44.902 11.303 -2.618 334 HA PHE 47 HA PHE 47 42.161 11.397 -3.033 335 HD1 PHE 47 HD2 PHE 47 40.608 9.794 -1.962 336 HD2 PHE 47 HD1 PHE 47 42.280 12.041 1.295 337 HE1 PHE 47 HE2 PHE 47 38.402 9.799 -0.835 338 HE2 PHE 47 HE1 PHE 47 40.071 12.047 2.423 339 HZ PHE 47 HZ PHE 47 38.133 10.925 1.358 340 HB2 PHE 47 HB2 PHE 47 43.171 9.904 -1.401 341 HB3 PHE 47 HB1 PHE 47 43.687 11.275 -0.424 342 H SER 48 HN SER 48 44.307 13.847 -1.834 343 HA SER 48 HA SER 48 42.684 15.442 -0.295 344 HG SER 48 HG SER 48 45.362 15.065 -0.431 345 HB2 SER 48 HB2 SER 48 44.761 16.243 -2.332 346 HB3 SER 48 HB1 SER 48 43.970 17.400 -1.261 347 H SER 49 HN SER 49 42.514 14.907 -3.761 348 HA SER 49 HA SER 49 41.139 17.102 -4.639 349 HG SER 49 HG SER 49 42.209 16.352 -6.514 350 HB2 SER 49 HB2 SER 49 40.784 14.192 -5.367 351 HB3 SER 49 HB1 SER 49 40.050 15.520 -6.265 352 H LEU 50 HN LEU 50 40.103 14.908 -2.240 353 HA LEU 50 HA LEU 50 37.260 15.272 -2.680 354 HG LEU 50 HG LEU 50 37.465 12.020 -1.128 355 HB2 LEU 50 HB2 LEU 50 38.980 13.854 -0.680 356 HB3 LEU 50 HB1 LEU 50 37.365 14.324 -0.159 357 HD11 LEU 50 HD11 LEU 50 35.478 13.849 -1.421 358 HD12 LEU 50 HD12 LEU 50 35.368 12.197 -2.017 359 HD13 LEU 50 HD13 LEU 50 35.812 13.499 -3.117 360 HD21 LEU 50 HD23 LEU 50 38.038 11.617 -3.374 361 HD22 LEU 50 HD21 LEU 50 39.242 12.801 -2.871 362 HD23 LEU 50 HD22 LEU 50 37.849 13.310 -3.824 363 H LYS 51 HN LYS 51 39.863 16.742 -0.865 364 HA LYS 51 HA LYS 51 38.384 18.238 1.004 365 HB2 LYS 51 HB2 LYS 51 40.863 17.973 1.024 366 HB3 LYS 51 HB1 LYS 51 40.957 19.035 -0.380 367 HG2 LYS 51 HG2 LYS 51 39.911 20.851 0.893 368 HG3 LYS 51 HG1 LYS 51 39.748 19.794 2.295 369 HD2 LYS 51 HD2 LYS 51 42.201 19.540 2.392 370 HD3 LYS 51 HD1 LYS 51 42.364 20.608 0.997 371 HE2 LYS 51 HE2 LYS 51 42.717 21.860 3.087 372 HE3 LYS 51 HE1 LYS 51 41.260 22.422 2.265 373 HZ1 LYS 51 HZ3 LYS 51 41.229 21.837 4.797 374 HZ2 LYS 51 HZ1 LYS 51 41.020 20.255 4.223 375 HZ3 LYS 51 HZ2 LYS 51 39.902 21.463 3.804 376 H ASP 52 HN ASP 52 39.454 19.007 -2.278 377 HA ASP 52 HA ASP 52 38.407 21.616 -2.435 378 HB2 ASP 52 HB2 ASP 52 38.762 19.520 -4.585 379 HB3 ASP 52 HB1 ASP 52 38.294 21.188 -4.914 380 H TYR 53 HN TYR 53 36.932 18.662 -3.810 381 HA TYR 53 HA TYR 53 34.421 19.825 -4.227 382 HD1 TYR 53 HD2 TYR 53 33.197 19.015 -6.213 383 HD2 TYR 53 HD1 TYR 53 36.721 16.622 -5.679 384 HE1 TYR 53 HE2 TYR 53 33.680 19.184 -8.640 385 HE2 TYR 53 HE1 TYR 53 37.205 16.792 -8.104 386 HH TYR 53 HH TYR 53 35.074 18.655 -10.276 387 HB2 TYR 53 HB2 TYR 53 35.263 16.951 -3.864 388 HB3 TYR 53 HB1 TYR 53 33.589 17.401 -4.180 389 H TRP 54 HN TRP 54 35.648 17.975 -1.422 390 HA TRP 54 HA TRP 54 33.207 17.957 -0.003 391 HD1 TRP 54 HD1 TRP 54 35.813 18.535 3.522 392 HE1 TRP 54 HE1 TRP 54 34.182 17.938 5.427 393 HE3 TRP 54 HE3 TRP 54 32.348 15.861 0.903 394 HZ2 TRP 54 HZ2 TRP 54 31.727 16.512 5.789 395 HZ3 TRP 54 HZ3 TRP 54 30.373 14.896 2.047 396 HH2 TRP 54 HH2 TRP 54 30.058 15.218 4.485 397 HB2 TRP 54 HB2 TRP 54 35.120 16.511 0.557 398 HB3 TRP 54 HB1 TRP 54 36.031 17.929 1.079 399 H SER 55 HN SER 55 36.074 20.043 0.388 400 HA SER 55 HA SER 55 35.106 21.791 2.287 401 HG SER 55 HG SER 55 36.763 24.386 0.833 402 HB2 SER 55 HB2 SER 55 37.425 21.844 1.456 403 HB3 SER 55 HB1 SER 55 36.861 22.501 -0.078 404 H THR 56 HN THR 56 34.435 21.710 -1.147 405 HA THR 56 HA THR 56 33.027 24.243 -1.169 406 HB THR 56 HB THR 56 32.242 23.419 -3.448 407 HG1 THR 56 HG1 THR 56 34.230 21.466 -3.143 408 HG21 THR 56 HG23 THR 56 34.111 24.899 -3.385 409 HG22 THR 56 HG21 THR 56 34.624 23.538 -4.383 410 HG23 THR 56 HG22 THR 56 35.164 23.655 -2.709 411 H VAL 57 HN VAL 57 31.671 21.102 -2.176 412 HA VAL 57 HA VAL 57 29.042 21.572 -1.876 413 HB VAL 57 HB VAL 57 28.685 19.195 -1.365 414 HG11 VAL 57 HG11 VAL 57 29.150 19.613 -3.648 415 HG12 VAL 57 HG12 VAL 57 30.244 18.297 -3.219 416 HG13 VAL 57 HG13 VAL 57 30.852 19.949 -3.331 417 HG21 VAL 57 HG23 VAL 57 31.541 19.412 -0.497 418 HG22 VAL 57 HG21 VAL 57 31.025 17.891 -1.214 419 HG23 VAL 57 HG22 VAL 57 30.230 18.504 0.237 420 H LYS 58 HN LYS 58 30.925 20.208 0.865 421 HA LYS 58 HA LYS 58 29.070 20.301 2.849 422 HB2 LYS 58 HB2 LYS 58 31.412 19.498 3.079 423 HB3 LYS 58 HB1 LYS 58 31.956 21.176 3.110 424 HG2 LYS 58 HG2 LYS 58 30.620 21.601 5.118 425 HG3 LYS 58 HG1 LYS 58 30.004 19.949 5.077 426 HD2 LYS 58 HD2 LYS 58 32.304 19.089 5.340 427 HD3 LYS 58 HD1 LYS 58 32.912 20.742 5.404 428 HE2 LYS 58 HE2 LYS 58 31.550 21.179 7.402 429 HE3 LYS 58 HE1 LYS 58 30.910 19.537 7.335 430 HZ1 LYS 58 HZ3 LYS 58 32.678 19.545 8.885 431 HZ2 LYS 58 HZ1 LYS 58 33.715 20.362 7.819 432 HZ3 LYS 58 HZ2 LYS 58 33.258 18.758 7.495 433 H ASP 59 HN ASP 59 31.379 22.959 2.251 434 HA ASP 59 HA ASP 59 30.103 24.813 3.922 435 HB2 ASP 59 HB2 ASP 59 31.894 25.193 1.522 436 HB3 ASP 59 HB1 ASP 59 31.333 26.533 2.520 437 H LYS 60 HN LYS 60 29.777 24.276 0.402 438 HA LYS 60 HA LYS 60 27.903 26.359 0.010 439 HB2 LYS 60 HB2 LYS 60 28.499 23.847 -1.581 440 HB3 LYS 60 HB1 LYS 60 27.433 25.135 -2.142 441 HG2 LYS 60 HG2 LYS 60 29.276 26.745 -2.035 442 HG3 LYS 60 HG1 LYS 60 30.352 25.501 -1.399 443 HD2 LYS 60 HD2 LYS 60 30.018 24.176 -3.474 444 HD3 LYS 60 HD1 LYS 60 28.994 25.462 -4.111 445 HE2 LYS 60 HE2 LYS 60 31.903 25.785 -3.315 446 HE3 LYS 60 HE1 LYS 60 31.310 25.638 -4.970 447 HZ1 LYS 60 HZ3 LYS 60 30.857 27.788 -4.984 448 HZ2 LYS 60 HZ1 LYS 60 31.494 27.942 -3.419 449 HZ3 LYS 60 HZ2 LYS 60 29.839 27.624 -3.634 450 H PHE 61 HN PHE 61 27.580 23.457 1.630 451 HA PHE 61 HA PHE 61 24.938 22.730 0.889 452 HD1 PHE 61 HD1 PHE 61 24.720 20.014 1.159 453 HD2 PHE 61 HD2 PHE 61 24.155 22.153 4.841 454 HE1 PHE 61 HE1 PHE 61 22.681 18.680 1.622 455 HE2 PHE 61 HE2 PHE 61 22.115 20.820 5.303 456 HZ PHE 61 HZ PHE 61 21.380 19.082 3.694 457 HB2 PHE 61 HB2 PHE 61 26.567 21.331 2.252 458 HB3 PHE 61 HB1 PHE 61 26.192 22.378 3.620 459 H SER 62 HN SER 62 26.303 25.274 2.776 460 HA SER 62 HA SER 62 23.961 25.843 4.357 461 HG SER 62 HG SER 62 24.594 28.213 5.683 462 HB2 SER 62 HB2 SER 62 26.004 26.687 5.224 463 HB3 SER 62 HB1 SER 62 26.417 27.465 3.697 464 H GLU 63 HN GLU 63 25.389 27.414 1.493 465 HA GLU 63 HA GLU 63 23.152 29.159 1.102 466 HB2 GLU 63 HB2 GLU 63 25.492 28.433 -0.659 467 HB3 GLU 63 HB1 GLU 63 24.293 29.662 -1.070 468 HG2 GLU 63 HG2 GLU 63 24.833 30.920 0.946 469 HG3 GLU 63 HG1 GLU 63 25.955 29.662 1.464 470 H PHE 64 HN PHE 64 24.067 26.002 -0.146 471 HA PHE 64 HA PHE 64 22.449 25.893 -2.400 472 HD1 PHE 64 HD1 PHE 64 23.024 23.995 -4.172 473 HD2 PHE 64 HD2 PHE 64 21.424 22.127 -0.650 474 HE1 PHE 64 HE1 PHE 64 21.695 22.457 -5.592 475 HE2 PHE 64 HE2 PHE 64 20.094 20.590 -2.070 476 HZ PHE 64 HZ PHE 64 20.230 20.754 -4.541 477 HB2 PHE 64 HB2 PHE 64 24.118 24.190 -1.871 478 HB3 PHE 64 HB1 PHE 64 23.193 23.691 -0.456 479 H TRP 65 HN TRP 65 21.456 26.432 0.720 480 HA TRP 65 HA TRP 65 19.005 24.889 0.663 481 HD1 TRP 65 HD1 TRP 65 18.212 23.790 3.235 482 HE1 TRP 65 HE1 TRP 65 15.851 24.165 4.200 483 HE3 TRP 65 HE3 TRP 65 17.810 28.842 2.629 484 HZ2 TRP 65 HZ2 TRP 65 14.033 26.325 4.655 485 HZ3 TRP 65 HZ3 TRP 65 15.756 30.034 3.338 486 HH2 TRP 65 HH2 TRP 65 13.869 28.782 4.350 487 HB2 TRP 65 HB2 TRP 65 20.211 25.523 2.770 488 HB3 TRP 65 HB1 TRP 65 19.767 27.202 2.461 489 H ASP 66 HN ASP 66 19.841 28.351 0.449 490 HA ASP 66 HA ASP 66 17.146 29.039 -0.506 491 HB2 ASP 66 HB2 ASP 66 18.080 31.368 -0.505 492 HB3 ASP 66 HB1 ASP 66 18.162 30.575 1.067 493 H LEU 67 HN LEU 67 16.679 28.751 -2.512 494 HA LEU 67 HA LEU 67 18.717 28.800 -4.607 495 HG LEU 67 HG LEU 67 18.453 26.601 -5.329 496 HB2 LEU 67 HB2 LEU 67 15.850 27.899 -4.467 497 HB3 LEU 67 HB1 LEU 67 16.635 28.151 -6.024 498 HD11 LEU 67 HD11 LEU 67 16.750 26.441 -2.838 499 HD12 LEU 67 HD12 LEU 67 18.479 26.766 -2.967 500 HD13 LEU 67 HD13 LEU 67 17.861 25.145 -3.282 501 HD21 LEU 67 HD23 LEU 67 16.316 25.851 -6.516 502 HD22 LEU 67 HD21 LEU 67 15.760 25.276 -4.943 503 HD23 LEU 67 HD22 LEU 67 17.214 24.591 -5.669 504 H ASP 68 HN ASP 68 17.424 29.709 -6.762 505 HA ASP 68 HA ASP 68 17.733 32.468 -6.600 506 HB2 ASP 68 HB2 ASP 68 15.957 31.982 -8.760 507 HB3 ASP 68 HB1 ASP 68 17.716 32.048 -8.844 508 HA PRO 69 HA PRO 69 14.179 34.414 -4.960 509 HB2 PRO 69 HB2 PRO 69 13.051 35.580 -7.366 510 HB3 PRO 69 HB1 PRO 69 14.022 36.381 -6.120 511 HG2 PRO 69 HG2 PRO 69 14.841 35.338 -8.749 512 HG3 PRO 69 HG1 PRO 69 15.623 36.559 -7.730 513 HD2 PRO 69 HD2 PRO 69 16.662 34.074 -8.090 514 HD3 PRO 69 HD1 PRO 69 16.885 34.984 -6.589 515 H GLU 70 HN GLU 70 13.897 32.151 -7.503 516 HA GLU 70 HA GLU 70 11.079 31.575 -6.732 517 HB2 GLU 70 HB2 GLU 70 11.316 32.550 -9.055 518 HB3 GLU 70 HB1 GLU 70 12.268 31.129 -9.476 519 HG2 GLU 70 HG2 GLU 70 10.003 30.676 -10.139 520 HG3 GLU 70 HG1 GLU 70 10.316 29.710 -8.699 521 H VAL 71 HN VAL 71 11.233 29.836 -5.481 522 HA VAL 71 HA VAL 71 13.168 27.702 -6.133 523 HB VAL 71 HB VAL 71 11.267 27.818 -3.785 524 HG11 VAL 71 HG11 VAL 71 13.996 26.544 -4.076 525 HG12 VAL 71 HG12 VAL 71 12.487 25.693 -4.389 526 HG13 VAL 71 HG13 VAL 71 12.836 26.300 -2.771 527 HG21 VAL 71 HG23 VAL 71 13.346 28.749 -2.570 528 HG22 VAL 71 HG21 VAL 71 12.434 29.870 -3.579 529 HG23 VAL 71 HG22 VAL 71 13.939 29.177 -4.174 530 H ARG 72 HN ARG 72 12.114 26.838 -7.975 531 HA ARG 72 HA ARG 72 9.598 25.408 -7.377 532 HE ARG 72 HE ARG 72 7.957 25.757 -6.809 533 HB2 ARG 72 HB2 ARG 72 10.340 26.911 -9.869 534 HB3 ARG 72 HB1 ARG 72 9.067 25.695 -9.854 535 HG2 ARG 72 HG2 ARG 72 8.980 27.823 -7.729 536 HG3 ARG 72 HG1 ARG 72 8.537 28.284 -9.368 537 HD2 ARG 72 HD2 ARG 72 6.536 27.598 -8.154 538 HD3 ARG 72 HD1 ARG 72 6.882 26.438 -9.431 539 HH11 ARG 72 HH21 ARG 72 5.415 25.428 -9.150 540 HH12 ARG 72 HH22 ARG 72 4.749 24.004 -8.423 541 HH21 ARG 72 HH11 ARG 72 7.046 23.916 -5.833 542 HH22 ARG 72 HH12 ARG 72 5.668 23.151 -6.552 543 HA PRO 73 HA PRO 73 11.862 21.887 -8.842 544 HB2 PRO 73 HB2 PRO 73 9.551 20.423 -9.805 545 HB3 PRO 73 HB1 PRO 73 10.427 20.195 -8.283 546 HG2 PRO 73 HG2 PRO 73 7.836 21.193 -8.532 547 HG3 PRO 73 HG1 PRO 73 8.871 21.339 -7.103 548 HD2 PRO 73 HD2 PRO 73 8.220 23.388 -9.175 549 HD3 PRO 73 HD1 PRO 73 8.641 23.584 -7.462 550 H THR 74 HN THR 74 9.753 23.685 -10.907 551 HA THR 74 HA THR 74 10.464 22.282 -13.343 552 HB THR 74 HB THR 74 9.104 23.948 -14.474 553 HG1 THR 74 HG1 THR 74 8.139 25.582 -13.122 554 HG21 THR 74 HG23 THR 74 8.024 22.060 -13.259 555 HG22 THR 74 HG21 THR 74 6.993 23.487 -13.357 556 HG23 THR 74 HG22 THR 74 7.839 23.112 -11.855 557 H SER 75 HN SER 75 10.821 25.699 -12.469 558 HA SER 75 HA SER 75 12.671 26.293 -14.461 559 HG SER 75 HG SER 75 11.419 28.872 -13.937 560 HB2 SER 75 HB2 SER 75 12.309 27.568 -11.742 561 HB3 SER 75 HB1 SER 75 13.231 28.273 -13.067 562 H ALA 76 HN ALA 76 13.163 25.113 -11.157 563 HA ALA 76 HA ALA 76 15.923 25.424 -10.970 564 HB1 ALA 76 HB3 ALA 76 14.662 24.732 -9.046 565 HB2 ALA 76 HB1 ALA 76 15.807 23.443 -9.418 566 HB3 ALA 76 HB2 ALA 76 14.109 23.271 -9.865 567 H VAL 77 HN VAL 77 14.243 22.402 -11.834 568 HA VAL 77 HA VAL 77 16.529 21.059 -12.754 569 HB VAL 77 HB VAL 77 13.615 20.692 -13.494 570 HG11 VAL 77 HG11 VAL 77 16.081 19.088 -14.189 571 HG12 VAL 77 HG12 VAL 77 14.811 19.661 -15.269 572 HG13 VAL 77 HG13 VAL 77 14.482 18.347 -14.141 573 HG21 VAL 77 HG23 VAL 77 13.694 18.883 -11.875 574 HG22 VAL 77 HG21 VAL 77 14.303 20.345 -11.100 575 HG23 VAL 77 HG22 VAL 77 15.428 19.105 -11.652 576 H ALA 78 HN ALA 78 14.048 22.850 -14.609 577 HA ALA 78 HA ALA 78 15.347 22.522 -17.118 578 HB1 ALA 78 HB3 ALA 78 12.963 23.048 -16.957 579 HB2 ALA 78 HB1 ALA 78 13.805 24.297 -17.874 580 HB3 ALA 78 HB2 ALA 78 13.342 24.594 -16.198 581 H ALA 79 HN ALA 79 16.146 24.314 -14.410 582 HA ALA 79 HA ALA 79 18.386 25.559 -15.603 583 HB1 ALA 79 HB3 ALA 79 17.576 27.958 -15.269 584 HB2 ALA 79 HB1 ALA 79 15.945 27.289 -15.212 585 HB3 ALA 79 HB2 ALA 79 16.924 27.104 -16.667 Start of MODEL 6 1 HA SER 1 HA SER 1 0.092 -27.519 14.872 2 HG SER 1 HG SER 1 0.193 -28.816 13.204 3 H1 SER 1 HT1 SER 1 -2.509 -26.876 15.283 4 H2 SER 1 HT2 SER 1 -1.747 -25.358 15.274 5 H3 SER 1 HT3 SER 1 -1.234 -26.561 16.357 6 HB2 SER 1 HB2 SER 1 -2.101 -28.307 13.768 7 HB3 SER 1 HB1 SER 1 -1.875 -26.973 12.644 8 H GLU 2 HN GLU 2 -1.629 -24.960 13.052 9 HA GLU 2 HA GLU 2 0.627 -23.186 13.157 10 HB2 GLU 2 HB2 GLU 2 1.212 -24.949 11.373 11 HB3 GLU 2 HB1 GLU 2 -0.063 -24.212 10.403 12 HG2 GLU 2 HG2 GLU 2 2.256 -22.659 11.595 13 HG3 GLU 2 HG1 GLU 2 2.237 -23.289 9.948 14 H ALA 3 HN ALA 3 -0.167 -21.190 13.130 15 HA ALA 3 HA ALA 3 -2.902 -20.642 12.652 16 HB1 ALA 3 HB3 ALA 3 -2.228 -18.273 12.966 17 HB2 ALA 3 HB1 ALA 3 -0.538 -18.777 12.966 18 HB3 ALA 3 HB2 ALA 3 -1.621 -19.321 14.247 19 H GLU 4 HN GLU 4 -3.705 -20.795 10.684 20 HA GLU 4 HA GLU 4 -2.280 -20.398 8.270 21 HB2 GLU 4 HB2 GLU 4 -5.249 -20.432 8.860 22 HB3 GLU 4 HB1 GLU 4 -4.573 -20.359 7.231 23 HG2 GLU 4 HG2 GLU 4 -3.402 -22.475 7.586 24 HG3 GLU 4 HG1 GLU 4 -3.977 -22.540 9.251 25 H ASP 5 HN ASP 5 -3.563 -18.196 10.516 26 HA ASP 5 HA ASP 5 -4.374 -16.068 8.851 27 HB2 ASP 5 HB2 ASP 5 -4.853 -16.172 11.270 28 HB3 ASP 5 HB1 ASP 5 -3.139 -15.943 11.611 29 H ALA 6 HN ALA 6 -1.220 -17.046 10.069 30 HA ALA 6 HA ALA 6 0.293 -14.810 9.508 31 HB1 ALA 6 HB3 ALA 6 1.061 -16.974 10.599 32 HB2 ALA 6 HB1 ALA 6 2.196 -16.252 9.461 33 HB3 ALA 6 HB2 ALA 6 1.219 -17.636 8.972 34 H SER 7 HN SER 7 0.270 -13.688 7.716 35 HA SER 7 HA SER 7 -0.383 -14.759 5.156 36 HG SER 7 HG SER 7 -1.791 -12.364 4.986 37 HB2 SER 7 HB2 SER 7 0.768 -12.080 5.972 38 HB3 SER 7 HB1 SER 7 0.227 -12.479 4.347 39 H LEU 8 HN LEU 8 1.172 -14.016 3.305 40 HA LEU 8 HA LEU 8 3.404 -15.716 3.326 41 HG LEU 8 HG LEU 8 2.165 -15.248 -0.069 42 HB2 LEU 8 HB2 LEU 8 2.533 -13.468 1.524 43 HB3 LEU 8 HB1 LEU 8 4.070 -14.285 1.250 44 HD11 LEU 8 HD11 LEU 8 4.234 -16.586 1.041 45 HD12 LEU 8 HD12 LEU 8 2.995 -17.382 0.077 46 HD13 LEU 8 HD13 LEU 8 2.905 -17.434 1.836 47 HD21 LEU 8 HD23 LEU 8 0.512 -14.810 1.828 48 HD22 LEU 8 HD21 LEU 8 1.147 -16.268 2.589 49 HD23 LEU 8 HD22 LEU 8 0.360 -16.366 1.014 50 H LEU 9 HN LEU 9 3.098 -12.984 5.106 51 HA LEU 9 HA LEU 9 5.730 -11.860 4.685 52 HG LEU 9 HG LEU 9 3.368 -9.172 5.394 53 HB2 LEU 9 HB2 LEU 9 3.412 -11.306 6.522 54 HB3 LEU 9 HB1 LEU 9 4.976 -10.537 6.784 55 HD11 LEU 9 HD11 LEU 9 6.038 -9.265 5.185 56 HD12 LEU 9 HD12 LEU 9 5.058 -8.284 4.101 57 HD13 LEU 9 HD13 LEU 9 5.649 -9.853 3.567 58 HD21 LEU 9 HD23 LEU 9 3.911 -11.205 3.217 59 HD22 LEU 9 HD21 LEU 9 2.760 -9.869 3.197 60 HD23 LEU 9 HD22 LEU 9 2.465 -11.270 4.226 61 H SER 10 HN SER 10 4.519 -14.538 6.215 62 HA SER 10 HA SER 10 5.930 -14.533 8.660 63 HG SER 10 HG SER 10 5.646 -17.789 9.128 64 HB2 SER 10 HB2 SER 10 4.038 -16.129 7.856 65 HB3 SER 10 HB1 SER 10 5.357 -17.077 7.175 66 H PHE 11 HN PHE 11 6.704 -16.484 5.811 67 HA PHE 11 HA PHE 11 9.180 -17.362 6.529 68 HD1 PHE 11 HD2 PHE 11 9.753 -19.610 4.856 69 HD2 PHE 11 HD1 PHE 11 6.126 -17.483 3.980 70 HE1 PHE 11 HE2 PHE 11 8.510 -21.754 4.804 71 HE2 PHE 11 HE1 PHE 11 4.881 -19.628 3.928 72 HZ PHE 11 HZ PHE 11 6.073 -21.764 4.340 73 HB2 PHE 11 HB2 PHE 11 8.278 -16.384 3.815 74 HB3 PHE 11 HB1 PHE 11 9.783 -17.265 4.086 75 H MET 12 HN MET 12 8.512 -14.242 4.925 76 HA MET 12 HA MET 12 11.173 -13.336 4.880 77 HB2 MET 12 HB2 MET 12 8.580 -11.772 4.995 78 HB3 MET 12 HB1 MET 12 10.155 -11.072 4.622 79 HG2 MET 12 HG2 MET 12 8.882 -13.334 3.057 80 HG3 MET 12 HG1 MET 12 8.815 -11.640 2.578 81 HE1 MET 12 HE3 MET 12 12.096 -10.566 1.497 82 HE2 MET 12 HE1 MET 12 12.064 -10.602 3.264 83 HE3 MET 12 HE2 MET 12 10.610 -10.182 2.362 84 H GLN 13 HN GLN 13 8.637 -12.036 6.990 85 HA GLN 13 HA GLN 13 9.970 -10.551 8.773 86 HB2 GLN 13 HB2 GLN 13 7.821 -12.593 9.302 87 HB3 GLN 13 HB1 GLN 13 8.463 -11.600 10.609 88 HG2 GLN 13 HG2 GLN 13 7.837 -9.564 9.440 89 HG3 GLN 13 HG1 GLN 13 7.326 -10.486 8.028 90 HE21 GLN 13 HE21 GLN 13 5.307 -11.685 8.169 91 HE22 GLN 13 HE22 GLN 13 4.208 -11.424 9.435 92 H GLY 14 HN GLY 14 9.750 -14.108 9.160 93 HA2 GLY 14 HA2 GLY 14 11.601 -14.216 11.305 94 HA3 GLY 14 HA1 GLY 14 11.071 -15.575 10.322 95 H TYR 15 HN TYR 15 11.951 -14.593 7.797 96 HA TYR 15 HA TYR 15 14.493 -15.616 7.605 97 HD1 TYR 15 HD1 TYR 15 14.806 -16.665 5.034 98 HD2 TYR 15 HD2 TYR 15 15.543 -12.439 5.229 99 HE1 TYR 15 HE1 TYR 15 16.866 -16.964 3.688 100 HE2 TYR 15 HE2 TYR 15 17.605 -12.737 3.886 101 HH TYR 15 HH TYR 15 18.972 -14.189 2.924 102 HB2 TYR 15 HB2 TYR 15 13.029 -15.039 5.657 103 HB3 TYR 15 HB1 TYR 15 13.433 -13.345 5.913 104 H MET 16 HN MET 16 13.890 -12.141 7.527 105 HA MET 16 HA MET 16 16.553 -11.399 7.877 106 HB2 MET 16 HB2 MET 16 14.012 -10.028 8.797 107 HB3 MET 16 HB1 MET 16 15.603 -9.270 8.841 108 HG2 MET 16 HG2 MET 16 15.824 -9.566 6.405 109 HG3 MET 16 HG1 MET 16 14.245 -10.349 6.351 110 HE1 MET 16 HE3 MET 16 12.913 -8.603 4.725 111 HE2 MET 16 HE1 MET 16 14.649 -8.398 4.461 112 HE3 MET 16 HE2 MET 16 13.605 -6.988 4.615 113 H LYS 17 HN LYS 17 14.176 -12.517 10.207 114 HA LYS 17 HA LYS 17 15.575 -11.669 12.535 115 HB2 LYS 17 HB2 LYS 17 13.144 -12.576 12.305 116 HB3 LYS 17 HB1 LYS 17 13.888 -14.163 12.477 117 HG2 LYS 17 HG2 LYS 17 14.871 -13.525 14.611 118 HG3 LYS 17 HG1 LYS 17 14.261 -11.878 14.434 119 HD2 LYS 17 HD2 LYS 17 11.954 -12.703 14.456 120 HD3 LYS 17 HD1 LYS 17 12.534 -14.365 14.579 121 HE2 LYS 17 HE2 LYS 17 11.911 -13.562 16.798 122 HE3 LYS 17 HE1 LYS 17 13.661 -13.775 16.723 123 HZ1 LYS 17 HZ3 LYS 17 13.063 -11.195 15.839 124 HZ2 LYS 17 HZ1 LYS 17 13.902 -11.653 17.240 125 HZ3 LYS 17 HZ2 LYS 17 12.217 -11.443 17.292 126 H HIS 18 HN HIS 18 15.583 -14.713 10.718 127 HA HIS 18 HA HIS 18 17.585 -15.922 12.392 128 HD1 HIS 18 HD1 HIS 18 19.017 -17.611 9.122 129 HD2 HIS 18 HD2 HIS 18 17.319 -19.292 12.539 130 HE1 HIS 18 HE1 HIS 18 20.441 -19.619 9.716 131 HB2 HIS 18 HB2 HIS 18 15.885 -17.263 11.213 132 HB3 HIS 18 HB1 HIS 18 16.569 -16.763 9.667 133 H ALA 19 HN ALA 19 17.581 -14.665 9.014 134 HA ALA 19 HA ALA 19 20.245 -15.200 8.457 135 HB1 ALA 19 HB3 ALA 19 20.049 -13.539 6.704 136 HB2 ALA 19 HB1 ALA 19 18.686 -12.785 7.532 137 HB3 ALA 19 HB2 ALA 19 18.511 -14.395 6.834 138 H THR 20 HN THR 20 18.930 -12.862 10.535 139 HA THR 20 HA THR 20 21.112 -11.024 10.554 140 HB THR 20 HB THR 20 18.989 -11.694 12.605 141 HG1 THR 20 HG1 THR 20 19.334 -9.286 11.211 142 HG21 THR 20 HG23 THR 20 20.752 -10.849 13.937 143 HG22 THR 20 HG21 THR 20 19.751 -9.438 13.599 144 HG23 THR 20 HG22 THR 20 21.247 -9.693 12.701 145 H LYS 21 HN LYS 21 20.690 -14.193 11.729 146 HA LYS 21 HA LYS 21 22.562 -14.135 13.884 147 HB2 LYS 21 HB2 LYS 21 21.529 -16.430 12.222 148 HB3 LYS 21 HB1 LYS 21 22.602 -16.622 13.607 149 HG2 LYS 21 HG2 LYS 21 20.978 -15.487 15.055 150 HG3 LYS 21 HG1 LYS 21 19.895 -15.262 13.680 151 HD2 LYS 21 HD2 LYS 21 19.672 -17.676 13.412 152 HD3 LYS 21 HD1 LYS 21 20.839 -17.954 14.706 153 HE2 LYS 21 HE2 LYS 21 18.575 -18.205 15.588 154 HE3 LYS 21 HE1 LYS 21 19.322 -16.769 16.286 155 HZ1 LYS 21 HZ3 LYS 21 17.076 -16.307 15.554 156 HZ2 LYS 21 HZ1 LYS 21 17.453 -16.811 13.979 157 HZ3 LYS 21 HZ2 LYS 21 18.188 -15.422 14.625 158 H THR 22 HN THR 22 22.828 -14.800 10.429 159 HA THR 22 HA THR 22 25.458 -15.788 10.412 160 HB THR 22 HB THR 22 25.484 -15.075 8.031 161 HG1 THR 22 HG1 THR 22 24.326 -13.152 8.263 162 HG21 THR 22 HG23 THR 22 24.431 -17.189 8.621 163 HG22 THR 22 HG21 THR 22 23.475 -16.400 7.367 164 HG23 THR 22 HG22 THR 22 22.932 -16.359 9.045 165 H ALA 23 HN ALA 23 24.369 -12.680 11.168 166 HA ALA 23 HA ALA 23 26.251 -10.936 10.203 167 HB1 ALA 23 HB3 ALA 23 25.180 -10.925 13.034 168 HB2 ALA 23 HB1 ALA 23 24.270 -10.354 11.636 169 HB3 ALA 23 HB2 ALA 23 25.759 -9.539 12.110 170 H LYS 24 HN LYS 24 26.454 -12.815 13.243 171 HA LYS 24 HA LYS 24 28.980 -12.053 14.072 172 HB2 LYS 24 HB2 LYS 24 27.426 -13.493 15.349 173 HB3 LYS 24 HB1 LYS 24 27.752 -14.818 14.233 174 HG2 LYS 24 HG2 LYS 24 30.110 -14.816 14.869 175 HG3 LYS 24 HG1 LYS 24 29.847 -13.425 15.924 176 HD2 LYS 24 HD2 LYS 24 28.254 -14.754 17.271 177 HD3 LYS 24 HD1 LYS 24 28.543 -16.147 16.226 178 HE2 LYS 24 HE2 LYS 24 30.920 -16.136 16.847 179 HE3 LYS 24 HE1 LYS 24 30.656 -14.725 17.869 180 HZ1 LYS 24 HZ3 LYS 24 30.450 -17.320 18.652 181 HZ2 LYS 24 HZ1 LYS 24 28.831 -16.859 18.433 182 HZ3 LYS 24 HZ2 LYS 24 29.829 -15.978 19.488 183 H ASP 25 HN ASP 25 28.490 -15.184 12.620 184 HA ASP 25 HA ASP 25 31.020 -15.829 11.861 185 HB2 ASP 25 HB2 ASP 25 29.159 -17.390 11.558 186 HB3 ASP 25 HB1 ASP 25 28.508 -16.394 10.260 187 H ALA 26 HN ALA 26 28.716 -13.823 10.085 188 HA ALA 26 HA ALA 26 30.407 -13.337 7.846 189 HB1 ALA 26 HB3 ALA 26 27.965 -12.957 7.784 190 HB2 ALA 26 HB1 ALA 26 28.853 -11.492 7.366 191 HB3 ALA 26 HB2 ALA 26 28.143 -11.665 8.970 192 H LEU 27 HN LEU 27 29.811 -11.686 10.939 193 HA LEU 27 HA LEU 27 31.361 -9.389 10.437 194 HG LEU 27 HG LEU 27 32.308 -8.278 12.380 195 HB2 LEU 27 HB2 LEU 27 29.837 -9.522 12.340 196 HB3 LEU 27 HB1 LEU 27 30.830 -10.779 13.070 197 HD11 LEU 27 HD11 LEU 27 31.473 -7.076 14.382 198 HD12 LEU 27 HD12 LEU 27 30.247 -8.321 14.611 199 HD13 LEU 27 HD13 LEU 27 30.204 -7.294 13.178 200 HD21 LEU 27 HD23 LEU 27 32.165 -9.697 15.051 201 HD22 LEU 27 HD21 LEU 27 33.497 -8.762 14.369 202 HD23 LEU 27 HD22 LEU 27 33.117 -10.358 13.723 203 H SER 28 HN SER 28 32.304 -12.447 11.848 204 HA SER 28 HA SER 28 34.974 -11.782 12.412 205 HG SER 28 HG SER 28 33.120 -13.995 13.752 206 HB2 SER 28 HB2 SER 28 33.632 -14.406 11.759 207 HB3 SER 28 HB1 SER 28 35.346 -14.305 12.142 208 H SER 29 HN SER 29 33.298 -12.559 9.512 209 HA SER 29 HA SER 29 35.666 -13.148 7.931 210 HG SER 29 HG SER 29 33.272 -11.534 5.849 211 HB2 SER 29 HB2 SER 29 34.268 -13.416 6.087 212 HB3 SER 29 HB1 SER 29 33.220 -13.853 7.430 213 H VAL 30 HN VAL 30 34.710 -10.292 9.256 214 HA VAL 30 HA VAL 30 34.824 -8.391 7.236 215 HB VAL 30 HB VAL 30 35.717 -6.838 9.002 216 HG11 VAL 30 HG11 VAL 30 33.598 -7.533 10.569 217 HG12 VAL 30 HG12 VAL 30 33.219 -8.474 9.126 218 HG13 VAL 30 HG13 VAL 30 33.423 -6.728 9.011 219 HG21 VAL 30 HG23 VAL 30 37.028 -8.053 10.481 220 HG22 VAL 30 HG21 VAL 30 35.992 -9.476 10.432 221 HG23 VAL 30 HG22 VAL 30 35.509 -8.065 11.370 222 H GLN 31 HN GLN 31 37.186 -10.591 7.723 223 HA GLN 31 HA GLN 31 39.655 -9.396 7.772 224 HB2 GLN 31 HB2 GLN 31 39.254 -11.842 7.518 225 HB3 GLN 31 HB1 GLN 31 38.777 -11.564 5.844 226 HG2 GLN 31 HG2 GLN 31 41.000 -10.742 5.291 227 HG3 GLN 31 HG1 GLN 31 41.492 -10.840 6.982 228 HE21 GLN 31 HE21 GLN 31 42.690 -12.685 7.414 229 HE22 GLN 31 HE22 GLN 31 42.516 -14.173 6.617 230 H GLU 32 HN GLU 32 37.226 -8.787 5.497 231 HA GLU 32 HA GLU 32 38.960 -7.945 3.358 232 HB2 GLU 32 HB2 GLU 32 36.547 -8.645 3.089 233 HB3 GLU 32 HB1 GLU 32 36.092 -7.136 3.878 234 HG2 GLU 32 HG2 GLU 32 37.126 -5.828 2.133 235 HG3 GLU 32 HG1 GLU 32 37.839 -7.269 1.409 236 H SER 33 HN SER 33 38.369 -6.806 6.430 237 HA SER 33 HA SER 33 38.068 -4.046 6.163 238 HG SER 33 HG SER 33 37.910 -6.392 8.535 239 HB2 SER 33 HB2 SER 33 39.776 -5.426 8.247 240 HB3 SER 33 HB1 SER 33 39.021 -3.842 8.374 241 H GLN 34 HN GLN 34 40.573 -6.059 5.136 242 HA GLN 34 HA GLN 34 42.878 -4.551 5.465 243 HB2 GLN 34 HB2 GLN 34 41.987 -6.178 3.081 244 HB3 GLN 34 HB1 GLN 34 43.608 -5.496 3.245 245 HG2 GLN 34 HG2 GLN 34 43.967 -6.712 5.311 246 HG3 GLN 34 HG1 GLN 34 42.313 -7.317 5.283 247 HE21 GLN 34 HE21 GLN 34 43.859 -9.398 5.368 248 HE22 GLN 34 HE22 GLN 34 44.197 -10.081 3.852 249 H VAL 35 HN VAL 35 40.058 -3.552 3.876 250 HA VAL 35 HA VAL 35 40.656 -2.075 1.715 251 HB VAL 35 HB VAL 35 39.054 -0.313 2.587 252 HG11 VAL 35 HG11 VAL 35 38.372 -2.461 1.411 253 HG12 VAL 35 HG12 VAL 35 37.145 -1.771 2.472 254 HG13 VAL 35 HG13 VAL 35 38.093 -3.155 3.007 255 HG21 VAL 35 HG23 VAL 35 38.153 -0.468 4.747 256 HG22 VAL 35 HG21 VAL 35 39.852 -0.840 5.030 257 HG23 VAL 35 HG22 VAL 35 38.664 -2.142 4.952 258 H ALA 36 HN ALA 36 42.120 -1.631 4.771 259 HA ALA 36 HA ALA 36 42.855 1.065 4.833 260 HB1 ALA 36 HB3 ALA 36 43.416 -0.448 6.652 261 HB2 ALA 36 HB1 ALA 36 44.907 0.244 6.015 262 HB3 ALA 36 HB2 ALA 36 44.445 -1.403 5.585 263 H GLN 37 HN GLN 37 44.966 -1.527 3.633 264 HA GLN 37 HA GLN 37 46.883 -0.079 2.348 265 HB2 GLN 37 HB2 GLN 37 45.568 -2.647 1.421 266 HB3 GLN 37 HB1 GLN 37 46.967 -1.948 0.607 267 HG2 GLN 37 HG2 GLN 37 47.823 -3.545 2.176 268 HG3 GLN 37 HG1 GLN 37 48.146 -1.952 2.857 269 HE21 GLN 37 HE21 GLN 37 45.964 -4.766 3.103 270 HE22 GLN 37 HE22 GLN 37 45.418 -4.407 4.670 271 H GLN 38 HN GLN 38 43.690 -0.926 0.989 272 HA GLN 38 HA GLN 38 44.013 0.354 -1.504 273 HB2 GLN 38 HB2 GLN 38 41.401 0.181 0.008 274 HB3 GLN 38 HB1 GLN 38 41.660 0.135 -1.735 275 HG2 GLN 38 HG2 GLN 38 42.506 -1.991 0.254 276 HG3 GLN 38 HG1 GLN 38 41.200 -2.119 -0.921 277 HE21 GLN 38 HE21 GLN 38 41.749 -2.878 -2.976 278 HE22 GLN 38 HE22 GLN 38 43.339 -3.060 -3.537 279 H ALA 39 HN ALA 39 42.173 1.469 1.299 280 HA ALA 39 HA ALA 39 41.657 4.073 0.584 281 HB1 ALA 39 HB3 ALA 39 42.610 3.219 3.340 282 HB2 ALA 39 HB1 ALA 39 40.945 3.133 2.763 283 HB3 ALA 39 HB2 ALA 39 41.728 4.700 2.965 284 H ARG 40 HN ARG 40 44.611 2.993 2.293 285 HA ARG 40 HA ARG 40 45.996 5.423 2.103 286 HE ARG 40 HE ARG 40 49.475 2.265 2.137 287 HB2 ARG 40 HB2 ARG 40 46.592 3.380 3.519 288 HB3 ARG 40 HB1 ARG 40 47.310 2.705 2.058 289 HG2 ARG 40 HG2 ARG 40 48.827 4.626 1.882 290 HG3 ARG 40 HG1 ARG 40 48.075 5.366 3.296 291 HD2 ARG 40 HD2 ARG 40 50.117 4.261 3.998 292 HD3 ARG 40 HD1 ARG 40 48.743 3.366 4.637 293 HH11 ARG 40 HH21 ARG 40 50.560 2.592 5.407 294 HH12 ARG 40 HH22 ARG 40 51.491 1.131 5.392 295 HH21 ARG 40 HH11 ARG 40 50.713 0.357 2.102 296 HH22 ARG 40 HH12 ARG 40 51.577 -0.134 3.520 297 H GLY 41 HN GLY 41 44.994 3.528 -0.225 298 HA2 GLY 41 HA2 GLY 41 47.153 3.826 -2.169 299 HA3 GLY 41 HA1 GLY 41 45.540 3.196 -2.519 300 H TRP 42 HN TRP 42 43.782 4.926 -2.113 301 HA TRP 42 HA TRP 42 43.873 6.775 -4.136 302 HD1 TRP 42 HD1 TRP 42 41.044 4.741 -1.636 303 HE1 TRP 42 HE1 TRP 42 39.674 3.473 -3.411 304 HE3 TRP 42 HE3 TRP 42 41.973 7.659 -5.735 305 HZ2 TRP 42 HZ2 TRP 42 39.051 3.663 -6.191 306 HZ3 TRP 42 HZ3 TRP 42 40.975 7.086 -7.932 307 HH2 TRP 42 HH2 TRP 42 39.518 5.094 -8.164 308 HB2 TRP 42 HB2 TRP 42 42.316 6.943 -1.556 309 HB3 TRP 42 HB1 TRP 42 42.076 8.052 -2.904 310 H VAL 43 HN VAL 43 45.436 6.974 -1.127 311 HA VAL 43 HA VAL 43 45.709 9.717 -0.691 312 HB VAL 43 HB VAL 43 47.649 7.458 -0.208 313 HG11 VAL 43 HG11 VAL 43 48.579 9.125 1.510 314 HG12 VAL 43 HG12 VAL 43 47.725 10.367 0.592 315 HG13 VAL 43 HG13 VAL 43 48.993 9.415 -0.179 316 HG21 VAL 43 HG23 VAL 43 45.451 7.356 0.953 317 HG22 VAL 43 HG21 VAL 43 45.752 8.959 1.618 318 HG23 VAL 43 HG22 VAL 43 46.784 7.607 2.081 319 H THR 44 HN THR 44 48.231 7.690 -2.179 320 HA THR 44 HA THR 44 49.819 9.703 -3.182 321 HB THR 44 HB THR 44 50.194 7.149 -3.212 322 HG1 THR 44 HG1 THR 44 51.803 7.505 -4.587 323 HG21 THR 44 HG23 THR 44 48.108 6.828 -4.691 324 HG22 THR 44 HG21 THR 44 49.559 5.931 -5.138 325 HG23 THR 44 HG22 THR 44 49.118 7.393 -6.021 326 H ASP 45 HN ASP 45 46.850 8.403 -4.503 327 HA ASP 45 HA ASP 45 47.039 9.735 -7.027 328 HB2 ASP 45 HB2 ASP 45 44.714 8.498 -5.542 329 HB3 ASP 45 HB1 ASP 45 44.591 9.167 -7.168 330 H GLY 46 HN GLY 46 47.331 11.308 -4.460 331 HA2 GLY 46 HA2 GLY 46 46.772 13.422 -3.694 332 HA3 GLY 46 HA1 GLY 46 46.152 13.705 -5.320 333 H PHE 47 HN PHE 47 45.138 11.567 -2.621 334 HA PHE 47 HA PHE 47 42.422 11.595 -3.107 335 HD1 PHE 47 HD1 PHE 47 40.892 9.855 -1.983 336 HD2 PHE 47 HD2 PHE 47 42.370 12.393 1.152 337 HE1 PHE 47 HE1 PHE 47 38.655 9.837 -0.913 338 HE2 PHE 47 HE2 PHE 47 40.133 12.373 2.222 339 HZ PHE 47 HZ PHE 47 38.275 11.096 1.189 340 HB2 PHE 47 HB2 PHE 47 43.406 10.135 -1.435 341 HB3 PHE 47 HB1 PHE 47 43.870 11.521 -0.447 342 H SER 48 HN SER 48 44.434 14.134 -1.886 343 HA SER 48 HA SER 48 42.743 15.688 -0.391 344 HG SER 48 HG SER 48 45.362 15.221 -0.753 345 HB2 SER 48 HB2 SER 48 44.635 16.703 -2.523 346 HB3 SER 48 HB1 SER 48 43.981 17.645 -1.189 347 H SER 49 HN SER 49 42.589 15.075 -3.846 348 HA SER 49 HA SER 49 41.125 17.170 -4.782 349 HG SER 49 HG SER 49 42.715 14.710 -6.186 350 HB2 SER 49 HB2 SER 49 40.835 14.226 -5.389 351 HB3 SER 49 HB1 SER 49 40.068 15.495 -6.333 352 H LEU 50 HN LEU 50 40.170 14.980 -2.315 353 HA LEU 50 HA LEU 50 37.317 15.326 -2.711 354 HG LEU 50 HG LEU 50 37.591 12.062 -1.173 355 HB2 LEU 50 HB2 LEU 50 39.067 13.933 -0.719 356 HB3 LEU 50 HB1 LEU 50 37.438 14.367 -0.207 357 HD11 LEU 50 HD11 LEU 50 35.934 13.514 -3.187 358 HD12 LEU 50 HD12 LEU 50 35.570 13.855 -1.495 359 HD13 LEU 50 HD13 LEU 50 35.502 12.201 -2.094 360 HD21 LEU 50 HD23 LEU 50 38.041 13.408 -3.841 361 HD22 LEU 50 HD21 LEU 50 38.167 11.694 -3.444 362 HD23 LEU 50 HD22 LEU 50 39.386 12.826 -2.861 363 H LYS 51 HN LYS 51 39.919 16.822 -0.943 364 HA LYS 51 HA LYS 51 38.460 18.305 0.947 365 HB2 LYS 51 HB2 LYS 51 40.947 18.061 0.898 366 HB3 LYS 51 HB1 LYS 51 40.988 19.147 -0.492 367 HG2 LYS 51 HG2 LYS 51 39.986 20.939 0.818 368 HG3 LYS 51 HG1 LYS 51 39.793 19.859 2.200 369 HD2 LYS 51 HD2 LYS 51 42.251 19.574 2.313 370 HD3 LYS 51 HD1 LYS 51 42.432 20.690 0.957 371 HE2 LYS 51 HE2 LYS 51 41.068 21.400 3.568 372 HE3 LYS 51 HE1 LYS 51 42.747 21.787 3.193 373 HZ1 LYS 51 HZ3 LYS 51 41.863 23.657 2.367 374 HZ2 LYS 51 HZ1 LYS 51 40.308 22.994 2.215 375 HZ3 LYS 51 HZ2 LYS 51 41.477 22.698 1.018 376 H ASP 52 HN ASP 52 39.443 19.083 -2.362 377 HA ASP 52 HA ASP 52 38.362 21.693 -2.478 378 HB2 ASP 52 HB2 ASP 52 39.859 20.903 -4.222 379 HB3 ASP 52 HB1 ASP 52 38.708 19.653 -4.690 380 H TYR 53 HN TYR 53 36.953 18.717 -3.857 381 HA TYR 53 HA TYR 53 34.430 19.791 -4.363 382 HD1 TYR 53 HD1 TYR 53 33.241 18.627 -6.425 383 HD2 TYR 53 HD2 TYR 53 32.926 16.135 -2.939 384 HE1 TYR 53 HE1 TYR 53 30.856 18.199 -6.946 385 HE2 TYR 53 HE2 TYR 53 30.538 15.709 -3.461 386 HH TYR 53 HH TYR 53 28.778 16.417 -4.719 387 HB2 TYR 53 HB2 TYR 53 35.270 17.621 -5.258 388 HB3 TYR 53 HB1 TYR 53 35.061 16.913 -3.657 389 H TRP 54 HN TRP 54 35.646 18.098 -1.478 390 HA TRP 54 HA TRP 54 33.179 18.113 -0.079 391 HD1 TRP 54 HD1 TRP 54 32.820 16.211 2.018 392 HE1 TRP 54 HE1 TRP 54 32.341 16.742 4.494 393 HE3 TRP 54 HE3 TRP 54 36.473 19.669 2.901 394 HZ2 TRP 54 HZ2 TRP 54 33.374 18.409 6.575 395 HZ3 TRP 54 HZ3 TRP 54 36.704 20.710 5.138 396 HH2 TRP 54 HH2 TRP 54 35.159 20.085 6.975 397 HB2 TRP 54 HB2 TRP 54 35.064 16.659 0.547 398 HB3 TRP 54 HB1 TRP 54 36.014 18.079 0.985 399 H SER 55 HN SER 55 36.065 20.184 0.254 400 HA SER 55 HA SER 55 35.164 21.975 2.130 401 HG SER 55 HG SER 55 35.773 24.307 1.106 402 HB2 SER 55 HB2 SER 55 37.437 22.077 1.277 403 HB3 SER 55 HB1 SER 55 36.857 22.560 -0.313 404 H THR 56 HN THR 56 34.377 21.833 -1.277 405 HA THR 56 HA THR 56 32.939 24.350 -1.273 406 HB THR 56 HB THR 56 32.106 23.500 -3.518 407 HG1 THR 56 HG1 THR 56 34.088 21.532 -3.187 408 HG21 THR 56 HG23 THR 56 35.070 23.646 -2.920 409 HG22 THR 56 HG21 THR 56 34.015 24.977 -3.397 410 HG23 THR 56 HG22 THR 56 34.393 23.695 -4.547 411 H VAL 57 HN VAL 57 31.642 21.178 -2.212 412 HA VAL 57 HA VAL 57 29.003 21.557 -1.861 413 HB VAL 57 HB VAL 57 30.572 19.108 -1.015 414 HG11 VAL 57 HG11 VAL 57 28.457 18.895 0.070 415 HG12 VAL 57 HG12 VAL 57 28.310 17.965 -1.422 416 HG13 VAL 57 HG13 VAL 57 27.597 19.573 -1.312 417 HG21 VAL 57 HG23 VAL 57 29.158 19.962 -3.552 418 HG22 VAL 57 HG21 VAL 57 29.621 18.292 -3.236 419 HG23 VAL 57 HG22 VAL 57 30.859 19.543 -3.353 420 H LYS 58 HN LYS 58 30.921 20.156 0.822 421 HA LYS 58 HA LYS 58 29.127 20.247 2.836 422 HB2 LYS 58 HB2 LYS 58 31.708 19.679 2.781 423 HB3 LYS 58 HB1 LYS 58 31.881 21.318 3.401 424 HG2 LYS 58 HG2 LYS 58 30.273 19.065 4.645 425 HG3 LYS 58 HG1 LYS 58 31.750 19.787 5.281 426 HD2 LYS 58 HD2 LYS 58 30.493 22.004 5.341 427 HD3 LYS 58 HD1 LYS 58 29.027 21.072 5.029 428 HE2 LYS 58 HE2 LYS 58 29.392 19.745 7.042 429 HE3 LYS 58 HE1 LYS 58 30.913 20.585 7.347 430 HZ1 LYS 58 HZ3 LYS 58 29.332 22.662 7.154 431 HZ2 LYS 58 HZ1 LYS 58 29.534 21.833 8.620 432 HZ3 LYS 58 HZ2 LYS 58 28.167 21.532 7.656 433 H ASP 59 HN ASP 59 31.397 22.956 2.287 434 HA ASP 59 HA ASP 59 30.061 24.766 3.966 435 HB2 ASP 59 HB2 ASP 59 31.882 25.203 1.592 436 HB3 ASP 59 HB1 ASP 59 31.283 26.522 2.595 437 H LYS 60 HN LYS 60 29.794 24.279 0.436 438 HA LYS 60 HA LYS 60 27.902 26.330 0.014 439 HB2 LYS 60 HB2 LYS 60 29.340 25.153 -1.718 440 HB3 LYS 60 HB1 LYS 60 28.254 23.774 -1.576 441 HG2 LYS 60 HG2 LYS 60 26.362 25.142 -2.300 442 HG3 LYS 60 HG1 LYS 60 27.390 26.576 -2.345 443 HD2 LYS 60 HD2 LYS 60 28.800 25.498 -4.074 444 HD3 LYS 60 HD1 LYS 60 27.735 24.090 -4.047 445 HE2 LYS 60 HE2 LYS 60 26.792 26.901 -4.658 446 HE3 LYS 60 HE1 LYS 60 27.216 25.719 -5.896 447 HZ1 LYS 60 HZ3 LYS 60 25.502 24.280 -5.159 448 HZ2 LYS 60 HZ1 LYS 60 24.807 25.819 -5.317 449 HZ3 LYS 60 HZ2 LYS 60 25.202 25.220 -3.777 450 H PHE 61 HN PHE 61 27.610 23.423 1.652 451 HA PHE 61 HA PHE 61 24.993 22.640 0.930 452 HD1 PHE 61 HD2 PHE 61 24.954 19.896 1.231 453 HD2 PHE 61 HD1 PHE 61 24.094 22.103 4.815 454 HE1 PHE 61 HE2 PHE 61 22.961 18.475 1.626 455 HE2 PHE 61 HE1 PHE 61 22.101 20.681 5.210 456 HZ PHE 61 HZ PHE 61 21.534 18.867 3.616 457 HB2 PHE 61 HB2 PHE 61 26.668 21.342 2.357 458 HB3 PHE 61 HB1 PHE 61 26.187 22.386 3.694 459 H SER 62 HN SER 62 26.251 25.310 2.698 460 HA SER 62 HA SER 62 23.888 25.852 4.264 461 HG SER 62 HG SER 62 26.272 28.779 3.264 462 HB2 SER 62 HB2 SER 62 24.909 28.060 4.650 463 HB3 SER 62 HB1 SER 62 26.038 26.749 4.962 464 H GLU 63 HN GLU 63 25.256 27.385 1.344 465 HA GLU 63 HA GLU 63 22.934 29.001 0.887 466 HB2 GLU 63 HB2 GLU 63 25.298 28.309 -0.864 467 HB3 GLU 63 HB1 GLU 63 24.038 29.458 -1.320 468 HG2 GLU 63 HG2 GLU 63 24.530 30.828 0.644 469 HG3 GLU 63 HG1 GLU 63 25.737 29.661 1.182 470 H PHE 64 HN PHE 64 24.058 25.878 -0.314 471 HA PHE 64 HA PHE 64 22.423 25.560 -2.512 472 HD1 PHE 64 HD1 PHE 64 22.997 23.585 -4.176 473 HD2 PHE 64 HD2 PHE 64 21.580 21.847 -0.512 474 HE1 PHE 64 HE1 PHE 64 21.694 21.918 -5.470 475 HE2 PHE 64 HE2 PHE 64 20.277 20.179 -1.807 476 HZ PHE 64 HZ PHE 64 20.335 20.215 -4.286 477 HB2 PHE 64 HB2 PHE 64 24.147 23.947 -1.913 478 HB3 PHE 64 HB1 PHE 64 23.267 23.505 -0.451 479 H TRP 65 HN TRP 65 21.441 26.092 0.669 480 HA TRP 65 HA TRP 65 19.028 24.504 0.609 481 HD1 TRP 65 HD1 TRP 65 17.559 27.689 3.230 482 HE1 TRP 65 HE1 TRP 65 15.407 26.607 4.147 483 HE3 TRP 65 HE3 TRP 65 18.652 22.767 2.448 484 HZ2 TRP 65 HZ2 TRP 65 14.296 23.994 4.502 485 HZ3 TRP 65 HZ3 TRP 65 17.034 21.002 3.084 486 HH2 TRP 65 HH2 TRP 65 14.860 21.608 4.109 487 HB2 TRP 65 HB2 TRP 65 20.168 25.138 2.718 488 HB3 TRP 65 HB1 TRP 65 19.798 26.832 2.391 489 H ASP 66 HN ASP 66 19.736 27.996 0.410 490 HA ASP 66 HA ASP 66 17.024 28.622 -0.539 491 HB2 ASP 66 HB2 ASP 66 19.487 30.318 0.009 492 HB3 ASP 66 HB1 ASP 66 17.974 30.964 -0.623 493 H LEU 67 HN LEU 67 16.564 29.530 -2.524 494 HA LEU 67 HA LEU 67 18.596 29.202 -4.635 495 HG LEU 67 HG LEU 67 17.976 28.522 -6.789 496 HB2 LEU 67 HB2 LEU 67 16.602 27.398 -4.349 497 HB3 LEU 67 HB1 LEU 67 15.751 28.598 -5.322 498 HD11 LEU 67 HD11 LEU 67 19.151 26.458 -6.759 499 HD12 LEU 67 HD12 LEU 67 17.962 25.705 -5.699 500 HD13 LEU 67 HD13 LEU 67 19.042 26.950 -5.069 501 HD21 LEU 67 HD23 LEU 67 16.969 26.698 -8.152 502 HD22 LEU 67 HD21 LEU 67 15.774 27.891 -7.643 503 HD23 LEU 67 HD22 LEU 67 15.873 26.335 -6.819 504 H ASP 68 HN ASP 68 17.245 30.091 -6.762 505 HA ASP 68 HA ASP 68 17.410 32.865 -6.551 506 HB2 ASP 68 HB2 ASP 68 16.598 30.847 -8.537 507 HB3 ASP 68 HB1 ASP 68 15.696 32.344 -8.731 508 HA PRO 69 HA PRO 69 13.751 34.525 -4.858 509 HB2 PRO 69 HB2 PRO 69 12.588 35.707 -7.243 510 HB3 PRO 69 HB1 PRO 69 13.499 36.516 -5.958 511 HG2 PRO 69 HG2 PRO 69 14.412 35.610 -8.609 512 HG3 PRO 69 HG1 PRO 69 15.104 36.835 -7.535 513 HD2 PRO 69 HD2 PRO 69 16.289 34.425 -7.954 514 HD3 PRO 69 HD1 PRO 69 16.426 35.297 -6.411 515 H GLU 70 HN GLU 70 13.613 32.296 -7.454 516 HA GLU 70 HA GLU 70 10.821 31.558 -6.720 517 HB2 GLU 70 HB2 GLU 70 12.119 31.535 -9.452 518 HB3 GLU 70 HB1 GLU 70 10.570 30.779 -9.080 519 HG2 GLU 70 HG2 GLU 70 9.654 32.951 -8.384 520 HG3 GLU 70 HG1 GLU 70 11.213 33.717 -8.684 521 H VAL 71 HN VAL 71 11.041 29.818 -5.515 522 HA VAL 71 HA VAL 71 13.049 27.767 -6.222 523 HB VAL 71 HB VAL 71 12.963 28.462 -3.866 524 HG11 VAL 71 HG11 VAL 71 10.273 28.828 -4.190 525 HG12 VAL 71 HG12 VAL 71 11.034 28.628 -2.613 526 HG13 VAL 71 HG13 VAL 71 10.267 27.250 -3.396 527 HG21 VAL 71 HG23 VAL 71 12.822 26.248 -2.903 528 HG22 VAL 71 HG21 VAL 71 13.433 26.077 -4.548 529 HG23 VAL 71 HG22 VAL 71 11.748 25.700 -4.191 530 H ARG 72 HN ARG 72 12.013 26.916 -8.058 531 HA ARG 72 HA ARG 72 9.556 25.386 -7.464 532 HE ARG 72 HE ARG 72 6.943 26.540 -10.543 533 HB2 ARG 72 HB2 ARG 72 10.189 26.979 -9.934 534 HB3 ARG 72 HB1 ARG 72 8.977 25.696 -9.938 535 HG2 ARG 72 HG2 ARG 72 8.847 27.790 -7.772 536 HG3 ARG 72 HG1 ARG 72 8.285 28.212 -9.388 537 HD2 ARG 72 HD2 ARG 72 7.322 25.770 -7.874 538 HD3 ARG 72 HD1 ARG 72 6.483 27.316 -7.870 539 HH11 ARG 72 HH21 ARG 72 5.072 25.742 -7.740 540 HH12 ARG 72 HH22 ARG 72 3.785 25.013 -8.641 541 HH21 ARG 72 HH11 ARG 72 5.289 25.547 -11.721 542 HH22 ARG 72 HH12 ARG 72 3.908 24.903 -10.898 543 HA PRO 73 HA PRO 73 12.027 21.882 -8.668 544 HB2 PRO 73 HB2 PRO 73 9.764 20.339 -9.604 545 HB3 PRO 73 HB1 PRO 73 10.613 20.188 -8.061 546 HG2 PRO 73 HG2 PRO 73 8.023 21.341 -8.605 547 HG3 PRO 73 HG1 PRO 73 8.786 21.009 -7.044 548 HD2 PRO 73 HD2 PRO 73 8.362 23.559 -8.211 549 HD3 PRO 73 HD1 PRO 73 9.337 23.200 -6.771 550 H THR 74 HN THR 74 9.728 23.498 -10.741 551 HA THR 74 HA THR 74 10.479 22.098 -13.153 552 HB THR 74 HB THR 74 9.001 24.716 -12.904 553 HG1 THR 74 HG1 THR 74 7.783 23.318 -11.804 554 HG21 THR 74 HG23 THR 74 9.823 24.183 -15.166 555 HG22 THR 74 HG21 THR 74 8.067 24.043 -15.089 556 HG23 THR 74 HG22 THR 74 9.068 22.592 -15.068 557 H SER 75 HN SER 75 10.754 25.535 -12.358 558 HA SER 75 HA SER 75 12.574 26.147 -14.372 559 HG SER 75 HG SER 75 10.952 28.883 -12.930 560 HB2 SER 75 HB2 SER 75 12.167 27.429 -11.662 561 HB3 SER 75 HB1 SER 75 13.137 28.133 -12.950 562 H ALA 76 HN ALA 76 13.103 24.983 -11.066 563 HA ALA 76 HA ALA 76 15.862 25.345 -10.889 564 HB1 ALA 76 HB3 ALA 76 14.503 24.631 -8.985 565 HB2 ALA 76 HB1 ALA 76 15.811 23.481 -9.261 566 HB3 ALA 76 HB2 ALA 76 14.170 23.092 -9.778 567 H VAL 77 HN VAL 77 14.208 22.312 -11.735 568 HA VAL 77 HA VAL 77 16.501 20.963 -12.627 569 HB VAL 77 HB VAL 77 13.605 20.595 -13.442 570 HG11 VAL 77 HG11 VAL 77 14.920 19.543 -15.139 571 HG12 VAL 77 HG12 VAL 77 14.443 18.256 -14.031 572 HG13 VAL 77 HG13 VAL 77 16.073 18.923 -13.957 573 HG21 VAL 77 HG23 VAL 77 15.353 19.113 -11.452 574 HG22 VAL 77 HG21 VAL 77 13.661 18.767 -11.802 575 HG23 VAL 77 HG22 VAL 77 14.108 20.287 -11.028 576 H ALA 78 HN ALA 78 14.071 22.819 -14.478 577 HA ALA 78 HA ALA 78 15.233 22.416 -17.012 578 HB1 ALA 78 HB3 ALA 78 13.657 24.807 -16.031 579 HB2 ALA 78 HB1 ALA 78 12.947 23.309 -16.633 580 HB3 ALA 78 HB2 ALA 78 13.897 24.330 -17.712 581 H ALA 79 HN ALA 79 15.725 24.936 -14.559 582 HA ALA 79 HA ALA 79 18.421 25.395 -15.215 583 HB1 ALA 79 HB3 ALA 79 18.064 27.751 -16.193 584 HB2 ALA 79 HB1 ALA 79 16.426 27.210 -16.563 585 HB3 ALA 79 HB2 ALA 79 17.811 26.382 -17.273 Start of MODEL 7 1 HA SER 1 HA SER 1 -3.050 -26.136 15.655 2 HG SER 1 HG SER 1 -0.906 -28.108 16.700 3 H1 SER 1 HT1 SER 1 -4.400 -27.715 14.267 4 H2 SER 1 HT2 SER 1 -3.539 -27.149 12.915 5 H3 SER 1 HT3 SER 1 -4.497 -26.081 13.824 6 HB2 SER 1 HB2 SER 1 -2.630 -28.555 15.633 7 HB3 SER 1 HB1 SER 1 -1.665 -28.393 14.171 8 H GLU 2 HN GLU 2 -3.317 -24.598 13.316 9 HA GLU 2 HA GLU 2 -0.717 -23.374 13.203 10 HB2 GLU 2 HB2 GLU 2 -0.460 -25.227 11.552 11 HB3 GLU 2 HB1 GLU 2 -1.816 -24.559 10.643 12 HG2 GLU 2 HG2 GLU 2 -0.593 -22.444 10.349 13 HG3 GLU 2 HG1 GLU 2 0.757 -23.087 11.283 14 H ALA 3 HN ALA 3 -1.145 -21.268 13.218 15 HA ALA 3 HA ALA 3 -3.721 -20.204 12.671 16 HB1 ALA 3 HB3 ALA 3 -2.082 -19.257 14.325 17 HB2 ALA 3 HB1 ALA 3 -2.748 -18.067 13.207 18 HB3 ALA 3 HB2 ALA 3 -1.117 -18.692 12.961 19 H GLU 4 HN GLU 4 -4.454 -20.200 10.654 20 HA GLU 4 HA GLU 4 -2.833 -20.010 8.328 21 HB2 GLU 4 HB2 GLU 4 -5.807 -19.635 8.749 22 HB3 GLU 4 HB1 GLU 4 -5.034 -19.635 7.164 23 HG2 GLU 4 HG2 GLU 4 -4.186 -21.898 7.542 24 HG3 GLU 4 HG1 GLU 4 -4.865 -21.904 9.168 25 H ASP 5 HN ASP 5 -3.681 -17.698 10.583 26 HA ASP 5 HA ASP 5 -4.218 -15.427 8.984 27 HB2 ASP 5 HB2 ASP 5 -3.067 -15.751 11.755 28 HB3 ASP 5 HB1 ASP 5 -3.349 -14.171 11.027 29 H ALA 6 HN ALA 6 -1.231 -16.936 10.057 30 HA ALA 6 HA ALA 6 0.601 -14.948 9.467 31 HB1 ALA 6 HB3 ALA 6 0.992 -17.262 10.523 32 HB2 ALA 6 HB1 ALA 6 2.250 -16.645 9.454 33 HB3 ALA 6 HB2 ALA 6 1.116 -17.864 8.870 34 H SER 7 HN SER 7 0.525 -13.806 7.677 35 HA SER 7 HA SER 7 -0.189 -14.875 5.115 36 HG SER 7 HG SER 7 1.455 -12.569 6.880 37 HB2 SER 7 HB2 SER 7 0.521 -12.573 4.325 38 HB3 SER 7 HB1 SER 7 -0.775 -12.600 5.514 39 H LEU 8 HN LEU 8 1.347 -14.178 3.251 40 HA LEU 8 HA LEU 8 3.588 -15.861 3.261 41 HG LEU 8 HG LEU 8 1.141 -14.738 1.543 42 HB2 LEU 8 HB2 LEU 8 3.237 -13.441 1.482 43 HB3 LEU 8 HB1 LEU 8 4.140 -14.914 1.128 44 HD11 LEU 8 HD11 LEU 8 0.965 -15.142 -0.833 45 HD12 LEU 8 HD12 LEU 8 2.708 -15.370 -0.975 46 HD13 LEU 8 HD13 LEU 8 2.055 -13.774 -0.607 47 HD21 LEU 8 HD23 LEU 8 1.747 -16.898 2.269 48 HD22 LEU 8 HD21 LEU 8 3.051 -17.034 1.091 49 HD23 LEU 8 HD22 LEU 8 1.371 -17.149 0.566 50 H LEU 9 HN LEU 9 3.277 -13.124 5.058 51 HA LEU 9 HA LEU 9 5.897 -11.986 4.664 52 HG LEU 9 HG LEU 9 3.530 -9.328 5.479 53 HB2 LEU 9 HB2 LEU 9 3.581 -11.501 6.530 54 HB3 LEU 9 HB1 LEU 9 5.140 -10.735 6.824 55 HD11 LEU 9 HD11 LEU 9 5.801 -9.936 3.614 56 HD12 LEU 9 HD12 LEU 9 6.206 -9.417 5.251 57 HD13 LEU 9 HD13 LEU 9 5.216 -8.390 4.221 58 HD21 LEU 9 HD23 LEU 9 4.070 -11.292 3.241 59 HD22 LEU 9 HD21 LEU 9 2.911 -9.962 3.267 60 HD23 LEU 9 HD22 LEU 9 2.632 -11.396 4.256 61 H SER 10 HN SER 10 4.736 -14.713 6.127 62 HA SER 10 HA SER 10 6.136 -14.756 8.571 63 HG SER 10 HG SER 10 3.569 -16.402 7.039 64 HB2 SER 10 HB2 SER 10 5.521 -17.182 6.905 65 HB3 SER 10 HB1 SER 10 5.708 -17.101 8.652 66 H PHE 11 HN PHE 11 6.982 -16.626 5.692 67 HA PHE 11 HA PHE 11 9.478 -17.434 6.418 68 HD1 PHE 11 HD1 PHE 11 10.151 -19.639 4.681 69 HD2 PHE 11 HD2 PHE 11 6.441 -17.624 3.890 70 HE1 PHE 11 HE1 PHE 11 8.983 -21.824 4.598 71 HE2 PHE 11 HE2 PHE 11 5.273 -19.810 3.806 72 HZ PHE 11 HZ PHE 11 6.543 -21.910 4.160 73 HB2 PHE 11 HB2 PHE 11 8.563 -16.452 3.712 74 HB3 PHE 11 HB1 PHE 11 10.095 -17.284 3.981 75 H MET 12 HN MET 12 8.737 -14.317 4.838 76 HA MET 12 HA MET 12 11.367 -13.335 4.824 77 HB2 MET 12 HB2 MET 12 9.415 -12.372 3.561 78 HB3 MET 12 HB1 MET 12 8.847 -11.676 5.080 79 HG2 MET 12 HG2 MET 12 10.121 -9.972 3.948 80 HG3 MET 12 HG1 MET 12 11.104 -10.543 5.294 81 HE1 MET 12 HE3 MET 12 10.147 -10.806 1.730 82 HE2 MET 12 HE1 MET 12 11.628 -11.144 0.823 83 HE3 MET 12 HE2 MET 12 11.402 -9.577 1.598 84 H GLN 13 HN GLN 13 8.808 -12.087 6.933 85 HA GLN 13 HA GLN 13 10.116 -10.636 8.757 86 HB2 GLN 13 HB2 GLN 13 7.998 -12.720 9.269 87 HB3 GLN 13 HB1 GLN 13 8.602 -11.678 10.559 88 HG2 GLN 13 HG2 GLN 13 7.924 -9.691 9.356 89 HG3 GLN 13 HG1 GLN 13 7.487 -10.639 7.937 90 HE21 GLN 13 HE21 GLN 13 5.367 -9.267 8.659 91 HE22 GLN 13 HE22 GLN 13 4.281 -10.142 9.626 92 H GLY 14 HN GLY 14 9.919 -14.202 9.080 93 HA2 GLY 14 HA2 GLY 14 11.767 -14.327 11.226 94 HA3 GLY 14 HA1 GLY 14 11.248 -15.675 10.225 95 H TYR 15 HN TYR 15 12.129 -14.664 7.708 96 HA TYR 15 HA TYR 15 14.680 -15.659 7.513 97 HD1 TYR 15 HD1 TYR 15 15.110 -16.638 5.005 98 HD2 TYR 15 HD2 TYR 15 15.632 -12.378 5.136 99 HE1 TYR 15 HE1 TYR 15 17.185 -16.852 3.665 100 HE2 TYR 15 HE2 TYR 15 17.708 -12.591 3.798 101 HH TYR 15 HH TYR 15 19.061 -13.966 2.723 102 HB2 TYR 15 HB2 TYR 15 13.239 -15.063 5.563 103 HB3 TYR 15 HB1 TYR 15 13.594 -13.366 5.866 104 H MET 16 HN MET 16 14.057 -12.194 7.480 105 HA MET 16 HA MET 16 16.702 -11.419 7.858 106 HB2 MET 16 HB2 MET 16 15.653 -9.346 8.969 107 HB3 MET 16 HB1 MET 16 15.133 -9.709 7.325 108 HG2 MET 16 HG2 MET 16 13.131 -10.873 8.218 109 HG3 MET 16 HG1 MET 16 13.645 -10.484 9.857 110 HE1 MET 16 HE3 MET 16 12.986 -6.876 10.403 111 HE2 MET 16 HE1 MET 16 14.575 -7.541 10.005 112 HE3 MET 16 HE2 MET 16 13.457 -8.462 11.008 113 H LYS 17 HN LYS 17 14.345 -12.643 10.151 114 HA LYS 17 HA LYS 17 15.720 -11.829 12.509 115 HB2 LYS 17 HB2 LYS 17 13.299 -12.758 12.249 116 HB3 LYS 17 HB1 LYS 17 14.061 -14.339 12.389 117 HG2 LYS 17 HG2 LYS 17 15.031 -13.743 14.537 118 HG3 LYS 17 HG1 LYS 17 14.404 -12.100 14.398 119 HD2 LYS 17 HD2 LYS 17 12.108 -12.948 14.390 120 HD3 LYS 17 HD1 LYS 17 12.704 -14.607 14.471 121 HE2 LYS 17 HE2 LYS 17 12.065 -13.870 16.707 122 HE3 LYS 17 HE1 LYS 17 13.818 -14.058 16.634 123 HZ1 LYS 17 HZ3 LYS 17 12.875 -11.444 15.873 124 HZ2 LYS 17 HZ1 LYS 17 14.141 -11.881 16.914 125 HZ3 LYS 17 HZ2 LYS 17 12.542 -11.849 17.489 126 H HIS 18 HN HIS 18 15.833 -14.765 10.545 127 HA HIS 18 HA HIS 18 17.828 -16.010 12.224 128 HD1 HIS 18 HD1 HIS 18 19.363 -17.795 9.122 129 HD2 HIS 18 HD2 HIS 18 17.356 -19.296 12.454 130 HE1 HIS 18 HE1 HIS 18 20.665 -19.828 9.887 131 HB2 HIS 18 HB2 HIS 18 16.090 -17.282 10.932 132 HB3 HIS 18 HB1 HIS 18 16.937 -16.828 9.452 133 H ALA 19 HN ALA 19 17.803 -14.735 8.847 134 HA ALA 19 HA ALA 19 20.484 -15.184 8.313 135 HB1 ALA 19 HB3 ALA 19 18.859 -12.818 7.372 136 HB2 ALA 19 HB1 ALA 19 18.733 -14.433 6.675 137 HB3 ALA 19 HB2 ALA 19 20.246 -13.532 6.551 138 H THR 20 HN THR 20 19.101 -12.898 10.390 139 HA THR 20 HA THR 20 21.275 -11.026 10.401 140 HB THR 20 HB THR 20 20.229 -10.570 12.806 141 HG1 THR 20 HG1 THR 20 17.854 -11.386 12.018 142 HG21 THR 20 HG23 THR 20 19.824 -8.889 11.248 143 HG22 THR 20 HG21 THR 20 18.191 -9.491 11.530 144 HG23 THR 20 HG22 THR 20 19.077 -9.990 10.089 145 H LYS 21 HN LYS 21 20.836 -14.176 11.619 146 HA LYS 21 HA LYS 21 22.652 -14.054 13.827 147 HB2 LYS 21 HB2 LYS 21 21.690 -16.404 12.193 148 HB3 LYS 21 HB1 LYS 21 22.706 -16.542 13.626 149 HG2 LYS 21 HG2 LYS 21 21.006 -15.353 14.959 150 HG3 LYS 21 HG1 LYS 21 19.980 -15.226 13.531 151 HD2 LYS 21 HD2 LYS 21 19.815 -17.654 13.382 152 HD3 LYS 21 HD1 LYS 21 20.936 -17.837 14.732 153 HE2 LYS 21 HE2 LYS 21 18.619 -18.094 15.507 154 HE3 LYS 21 HE1 LYS 21 19.342 -16.646 16.205 155 HZ1 LYS 21 HZ3 LYS 21 17.280 -15.942 15.448 156 HZ2 LYS 21 HZ1 LYS 21 17.368 -16.852 14.019 157 HZ3 LYS 21 HZ2 LYS 21 18.328 -15.463 14.201 158 H THR 22 HN THR 22 22.985 -14.771 10.396 159 HA THR 22 HA THR 22 25.608 -15.758 10.413 160 HB THR 22 HB THR 22 24.358 -14.080 8.234 161 HG1 THR 22 HG1 THR 22 23.386 -15.927 7.570 162 HG21 THR 22 HG23 THR 22 26.677 -14.502 7.792 163 HG22 THR 22 HG21 THR 22 25.759 -15.648 6.816 164 HG23 THR 22 HG22 THR 22 26.534 -16.181 8.308 165 H ALA 23 HN ALA 23 24.538 -12.634 11.140 166 HA ALA 23 HA ALA 23 26.428 -10.902 10.198 167 HB1 ALA 23 HB3 ALA 23 25.363 -10.899 13.032 168 HB2 ALA 23 HB1 ALA 23 24.443 -10.333 11.637 169 HB3 ALA 23 HB2 ALA 23 25.931 -9.510 12.105 170 H LYS 24 HN LYS 24 26.627 -12.796 13.225 171 HA LYS 24 HA LYS 24 29.150 -12.037 14.068 172 HB2 LYS 24 HB2 LYS 24 27.536 -13.508 15.290 173 HB3 LYS 24 HB1 LYS 24 27.991 -14.826 14.215 174 HG2 LYS 24 HG2 LYS 24 30.302 -14.709 14.981 175 HG3 LYS 24 HG1 LYS 24 29.932 -13.291 15.960 176 HD2 LYS 24 HD2 LYS 24 29.900 -15.148 17.469 177 HD3 LYS 24 HD1 LYS 24 28.216 -14.722 17.181 178 HE2 LYS 24 HE2 LYS 24 27.882 -16.575 15.730 179 HE3 LYS 24 HE1 LYS 24 29.613 -16.851 15.548 180 HZ1 LYS 24 HZ3 LYS 24 27.848 -17.504 17.798 181 HZ2 LYS 24 HZ1 LYS 24 29.473 -17.144 18.124 182 HZ3 LYS 24 HZ2 LYS 24 29.083 -18.431 17.086 183 H ASP 25 HN ASP 25 28.667 -15.162 12.599 184 HA ASP 25 HA ASP 25 31.196 -15.813 11.870 185 HB2 ASP 25 HB2 ASP 25 28.638 -16.381 10.356 186 HB3 ASP 25 HB1 ASP 25 30.186 -17.099 9.920 187 H ALA 26 HN ALA 26 28.924 -13.779 10.082 188 HA ALA 26 HA ALA 26 30.643 -13.285 7.864 189 HB1 ALA 26 HB3 ALA 26 28.245 -11.834 8.991 190 HB2 ALA 26 HB1 ALA 26 28.319 -12.851 7.552 191 HB3 ALA 26 HB2 ALA 26 29.105 -11.273 7.556 192 H LEU 27 HN LEU 27 29.999 -11.614 10.945 193 HA LEU 27 HA LEU 27 31.572 -9.328 10.438 194 HG LEU 27 HG LEU 27 29.300 -9.073 11.438 195 HB2 LEU 27 HB2 LEU 27 30.741 -10.717 12.970 196 HB3 LEU 27 HB1 LEU 27 31.838 -9.345 13.048 197 HD11 LEU 27 HD11 LEU 27 28.364 -9.913 13.461 198 HD12 LEU 27 HD12 LEU 27 28.252 -8.158 13.591 199 HD13 LEU 27 HD13 LEU 27 29.521 -9.028 14.455 200 HD21 LEU 27 HD23 LEU 27 30.687 -7.091 13.262 201 HD22 LEU 27 HD21 LEU 27 29.560 -6.755 11.951 202 HD23 LEU 27 HD22 LEU 27 31.188 -7.327 11.587 203 H SER 28 HN SER 28 32.483 -12.403 11.843 204 HA SER 28 HA SER 28 35.166 -11.771 12.423 205 HG SER 28 HG SER 28 32.903 -14.727 11.752 206 HB2 SER 28 HB2 SER 28 35.539 -14.217 12.359 207 HB3 SER 28 HB1 SER 28 34.077 -13.814 13.250 208 H SER 29 HN SER 29 33.479 -12.499 9.511 209 HA SER 29 HA SER 29 35.857 -13.083 7.927 210 HG SER 29 HG SER 29 33.539 -11.358 6.004 211 HB2 SER 29 HB2 SER 29 34.456 -13.371 6.091 212 HB3 SER 29 HB1 SER 29 33.405 -13.798 7.435 213 H VAL 30 HN VAL 30 34.900 -10.238 9.269 214 HA VAL 30 HA VAL 30 34.973 -8.327 7.259 215 HB VAL 30 HB VAL 30 35.882 -6.779 9.024 216 HG11 VAL 30 HG11 VAL 30 33.786 -7.503 10.613 217 HG12 VAL 30 HG12 VAL 30 33.393 -8.430 9.166 218 HG13 VAL 30 HG13 VAL 30 33.586 -6.682 9.068 219 HG21 VAL 30 HG23 VAL 30 35.696 -8.046 11.386 220 HG22 VAL 30 HG21 VAL 30 37.211 -7.979 10.494 221 HG23 VAL 30 HG22 VAL 30 36.213 -9.425 10.422 222 H GLN 31 HN GLN 31 37.359 -10.517 7.693 223 HA GLN 31 HA GLN 31 39.822 -9.306 7.696 224 HB2 GLN 31 HB2 GLN 31 38.828 -11.526 5.882 225 HB3 GLN 31 HB1 GLN 31 40.529 -11.108 6.078 226 HG2 GLN 31 HG2 GLN 31 40.384 -11.608 8.488 227 HG3 GLN 31 HG1 GLN 31 38.671 -11.989 8.313 228 HE21 GLN 31 HE21 GLN 31 38.548 -14.256 8.529 229 HE22 GLN 31 HE22 GLN 31 39.521 -15.351 7.671 230 H GLU 32 HN GLU 32 37.334 -8.712 5.472 231 HA GLU 32 HA GLU 32 39.006 -7.851 3.293 232 HB2 GLU 32 HB2 GLU 32 36.495 -8.558 3.254 233 HB3 GLU 32 HB1 GLU 32 36.180 -6.902 3.772 234 HG2 GLU 32 HG2 GLU 32 36.069 -6.874 1.386 235 HG3 GLU 32 HG1 GLU 32 37.627 -6.158 1.798 236 H SER 33 HN SER 33 38.548 -6.721 6.367 237 HA SER 33 HA SER 33 38.178 -3.959 6.108 238 HG SER 33 HG SER 33 37.643 -5.861 8.518 239 HB2 SER 33 HB2 SER 33 39.718 -5.569 8.146 240 HB3 SER 33 HB1 SER 33 39.532 -3.823 8.260 241 H GLN 34 HN GLN 34 40.728 -5.960 5.098 242 HA GLN 34 HA GLN 34 43.018 -4.447 5.334 243 HB2 GLN 34 HB2 GLN 34 43.738 -5.370 3.144 244 HB3 GLN 34 HB1 GLN 34 43.025 -6.596 4.191 245 HG2 GLN 34 HG2 GLN 34 41.998 -6.993 2.110 246 HG3 GLN 34 HG1 GLN 34 40.796 -6.040 2.976 247 HE21 GLN 34 HE21 GLN 34 39.867 -5.045 1.088 248 HE22 GLN 34 HE22 GLN 34 40.733 -3.956 0.114 249 H VAL 35 HN VAL 35 40.141 -3.421 3.830 250 HA VAL 35 HA VAL 35 40.674 -1.868 1.706 251 HB VAL 35 HB VAL 35 39.202 -0.706 4.077 252 HG11 VAL 35 HG11 VAL 35 39.482 0.711 2.051 253 HG12 VAL 35 HG12 VAL 35 37.795 0.284 2.337 254 HG13 VAL 35 HG13 VAL 35 38.714 -0.551 1.086 255 HG21 VAL 35 HG23 VAL 35 38.316 -2.896 3.977 256 HG22 VAL 35 HG21 VAL 35 38.433 -2.962 2.219 257 HG23 VAL 35 HG22 VAL 35 37.206 -1.953 2.986 258 H ALA 36 HN ALA 36 42.147 -1.489 4.788 259 HA ALA 36 HA ALA 36 42.876 1.206 4.867 260 HB1 ALA 36 HB3 ALA 36 43.378 -0.673 6.554 261 HB2 ALA 36 HB1 ALA 36 44.637 0.536 6.308 262 HB3 ALA 36 HB2 ALA 36 44.770 -1.047 5.540 263 H GLN 37 HN GLN 37 45.003 -1.385 3.687 264 HA GLN 37 HA GLN 37 46.936 0.065 2.426 265 HB2 GLN 37 HB2 GLN 37 45.642 -2.456 1.344 266 HB3 GLN 37 HB1 GLN 37 47.180 -1.793 0.787 267 HG2 GLN 37 HG2 GLN 37 46.618 -2.545 3.667 268 HG3 GLN 37 HG1 GLN 37 47.416 -3.613 2.514 269 HE21 GLN 37 HE21 GLN 37 49.622 -3.145 1.941 270 HE22 GLN 37 HE22 GLN 37 50.520 -1.924 2.706 271 H GLN 38 HN GLN 38 43.766 -0.803 1.019 272 HA GLN 38 HA GLN 38 44.123 0.486 -1.467 273 HB2 GLN 38 HB2 GLN 38 41.542 0.153 0.085 274 HB3 GLN 38 HB1 GLN 38 41.704 0.375 -1.653 275 HG2 GLN 38 HG2 GLN 38 42.860 -1.969 -0.116 276 HG3 GLN 38 HG1 GLN 38 41.336 -2.012 -1.003 277 HE21 GLN 38 HE21 GLN 38 44.406 -3.023 -1.366 278 HE22 GLN 38 HE22 GLN 38 44.607 -2.815 -3.038 279 H ALA 39 HN ALA 39 42.235 1.580 1.322 280 HA ALA 39 HA ALA 39 41.742 4.197 0.617 281 HB1 ALA 39 HB3 ALA 39 41.875 4.789 3.047 282 HB2 ALA 39 HB1 ALA 39 42.557 3.193 3.360 283 HB3 ALA 39 HB2 ALA 39 40.914 3.344 2.735 284 H ARG 40 HN ARG 40 44.630 3.066 2.395 285 HA ARG 40 HA ARG 40 46.090 5.445 2.293 286 HE ARG 40 HE ARG 40 46.713 3.459 6.723 287 HB2 ARG 40 HB2 ARG 40 47.030 2.568 2.366 288 HB3 ARG 40 HB1 ARG 40 48.119 3.942 2.550 289 HG2 ARG 40 HG2 ARG 40 46.903 4.691 4.533 290 HG3 ARG 40 HG1 ARG 40 45.720 3.397 4.329 291 HD2 ARG 40 HD2 ARG 40 47.503 1.719 4.620 292 HD3 ARG 40 HD1 ARG 40 48.690 3.005 4.816 293 HH11 ARG 40 HH21 ARG 40 49.036 1.029 5.882 294 HH12 ARG 40 HH22 ARG 40 49.214 0.445 7.503 295 HH21 ARG 40 HH11 ARG 40 46.926 2.677 8.844 296 HH22 ARG 40 HH12 ARG 40 48.020 1.377 9.178 297 H GLY 41 HN GLY 41 45.044 3.746 -0.131 298 HA2 GLY 41 HA2 GLY 41 47.252 4.081 -2.039 299 HA3 GLY 41 HA1 GLY 41 45.665 3.408 -2.421 300 H TRP 42 HN TRP 42 43.859 5.082 -1.946 301 HA TRP 42 HA TRP 42 43.748 6.923 -3.939 302 HD1 TRP 42 HD1 TRP 42 41.629 4.541 -1.684 303 HE1 TRP 42 HE1 TRP 42 39.854 3.575 -3.280 304 HE3 TRP 42 HE3 TRP 42 40.982 8.533 -4.806 305 HZ2 TRP 42 HZ2 TRP 42 38.357 4.383 -5.577 306 HZ3 TRP 42 HZ3 TRP 42 39.374 8.405 -6.689 307 HH2 TRP 42 HH2 TRP 42 38.062 6.337 -7.077 308 HB2 TRP 42 HB2 TRP 42 42.436 7.036 -1.223 309 HB3 TRP 42 HB1 TRP 42 42.103 8.246 -2.458 310 H VAL 43 HN VAL 43 45.591 7.208 -1.105 311 HA VAL 43 HA VAL 43 45.872 10.019 -0.893 312 HB VAL 43 HB VAL 43 47.718 9.584 0.529 313 HG11 VAL 43 HG11 VAL 43 45.552 8.716 1.364 314 HG12 VAL 43 HG12 VAL 43 46.903 7.748 1.951 315 HG13 VAL 43 HG13 VAL 43 45.904 7.150 0.631 316 HG21 VAL 43 HG23 VAL 43 49.164 8.271 -0.844 317 HG22 VAL 43 HG21 VAL 43 47.956 7.006 -1.028 318 HG23 VAL 43 HG22 VAL 43 48.761 7.235 0.521 319 H THR 44 HN THR 44 47.789 7.594 -2.579 320 HA THR 44 HA THR 44 49.716 9.310 -3.696 321 HB THR 44 HB THR 44 50.024 7.515 -5.436 322 HG1 THR 44 HG1 THR 44 48.057 6.651 -5.687 323 HG21 THR 44 HG23 THR 44 50.928 5.923 -3.899 324 HG22 THR 44 HG21 THR 44 49.778 6.378 -2.642 325 HG23 THR 44 HG22 THR 44 51.062 7.494 -3.112 326 H ASP 45 HN ASP 45 46.535 8.296 -4.871 327 HA ASP 45 HA ASP 45 46.761 9.708 -7.352 328 HB2 ASP 45 HB2 ASP 45 45.241 7.732 -6.891 329 HB3 ASP 45 HB1 ASP 45 44.230 8.830 -5.953 330 H GLY 46 HN GLY 46 47.062 11.065 -4.566 331 HA2 GLY 46 HA2 GLY 46 46.663 13.205 -3.752 332 HA3 GLY 46 HA1 GLY 46 46.065 13.598 -5.361 333 H PHE 47 HN PHE 47 44.932 11.459 -2.688 334 HA PHE 47 HA PHE 47 42.220 11.613 -3.182 335 HD1 PHE 47 HD2 PHE 47 45.330 12.297 -0.843 336 HD2 PHE 47 HD1 PHE 47 41.567 11.603 1.112 337 HE1 PHE 47 HE2 PHE 47 46.123 13.564 1.134 338 HE2 PHE 47 HE1 PHE 47 42.361 12.874 3.087 339 HZ PHE 47 HZ PHE 47 44.638 13.854 3.099 340 HB2 PHE 47 HB2 PHE 47 41.912 10.736 -1.037 341 HB3 PHE 47 HB1 PHE 47 43.569 10.267 -1.391 342 H SER 48 HN SER 48 44.340 14.047 -1.910 343 HA SER 48 HA SER 48 42.738 15.672 -0.409 344 HG SER 48 HG SER 48 44.911 16.428 0.313 345 HB2 SER 48 HB2 SER 48 44.756 16.475 -2.509 346 HB3 SER 48 HB1 SER 48 44.029 17.604 -1.374 347 H SER 49 HN SER 49 42.554 15.119 -3.867 348 HA SER 49 HA SER 49 41.130 17.289 -4.729 349 HG SER 49 HG SER 49 39.255 15.414 -6.768 350 HB2 SER 49 HB2 SER 49 41.899 15.377 -6.139 351 HB3 SER 49 HB1 SER 49 40.577 14.412 -5.486 352 H LEU 50 HN LEU 50 40.198 15.080 -2.299 353 HA LEU 50 HA LEU 50 37.345 15.375 -2.711 354 HG LEU 50 HG LEU 50 36.594 15.101 0.273 355 HB2 LEU 50 HB2 LEU 50 38.213 13.335 -1.605 356 HB3 LEU 50 HB1 LEU 50 38.869 14.327 -0.302 357 HD11 LEU 50 HD11 LEU 50 34.708 13.640 -0.883 358 HD12 LEU 50 HD12 LEU 50 35.880 13.542 -2.197 359 HD13 LEU 50 HD13 LEU 50 35.292 15.114 -1.651 360 HD21 LEU 50 HD23 LEU 50 35.698 12.931 1.087 361 HD22 LEU 50 HD21 LEU 50 37.429 13.094 1.383 362 HD23 LEU 50 HD22 LEU 50 36.853 12.088 0.053 363 H LYS 51 HN LYS 51 39.925 16.881 -0.898 364 HA LYS 51 HA LYS 51 38.424 18.346 0.973 365 HB2 LYS 51 HB2 LYS 51 41.060 18.965 -0.384 366 HB3 LYS 51 HB1 LYS 51 40.401 19.915 0.948 367 HG2 LYS 51 HG2 LYS 51 40.366 17.891 2.372 368 HG3 LYS 51 HG1 LYS 51 41.035 16.947 1.039 369 HD2 LYS 51 HD2 LYS 51 43.049 18.376 1.029 370 HD3 LYS 51 HD1 LYS 51 42.383 19.325 2.359 371 HE2 LYS 51 HE2 LYS 51 42.356 17.316 3.788 372 HE3 LYS 51 HE1 LYS 51 43.009 16.358 2.460 373 HZ1 LYS 51 HZ3 LYS 51 44.489 18.762 3.124 374 HZ2 LYS 51 HZ1 LYS 51 45.056 17.211 2.734 375 HZ3 LYS 51 HZ2 LYS 51 44.513 17.545 4.309 376 H ASP 52 HN ASP 52 39.459 19.138 -2.311 377 HA ASP 52 HA ASP 52 38.397 21.759 -2.418 378 HB2 ASP 52 HB2 ASP 52 39.921 20.987 -4.140 379 HB3 ASP 52 HB1 ASP 52 38.785 19.733 -4.634 380 H TYR 53 HN TYR 53 36.999 18.796 -3.837 381 HA TYR 53 HA TYR 53 34.494 19.878 -4.392 382 HD1 TYR 53 HD2 TYR 53 33.320 18.830 -6.384 383 HD2 TYR 53 HD1 TYR 53 32.964 16.122 -3.067 384 HE1 TYR 53 HE2 TYR 53 30.944 18.427 -6.968 385 HE2 TYR 53 HE1 TYR 53 30.588 15.719 -3.653 386 HH TYR 53 HH TYR 53 28.828 16.561 -4.875 387 HB2 TYR 53 HB2 TYR 53 35.346 17.689 -5.244 388 HB3 TYR 53 HB1 TYR 53 35.087 17.003 -3.641 389 H TRP 54 HN TRP 54 35.643 18.201 -1.473 390 HA TRP 54 HA TRP 54 33.146 18.263 -0.116 391 HD1 TRP 54 HD1 TRP 54 32.807 16.375 2.182 392 HE1 TRP 54 HE1 TRP 54 32.369 17.096 4.619 393 HE3 TRP 54 HE3 TRP 54 36.407 19.959 2.701 394 HZ2 TRP 54 HZ2 TRP 54 33.411 18.946 6.535 395 HZ3 TRP 54 HZ3 TRP 54 36.664 21.183 4.841 396 HH2 TRP 54 HH2 TRP 54 35.172 20.682 6.756 397 HB2 TRP 54 HB2 TRP 54 34.928 16.758 0.588 398 HB3 TRP 54 HB1 TRP 54 35.976 18.129 0.952 399 H SER 55 HN SER 55 36.060 20.300 0.231 400 HA SER 55 HA SER 55 35.165 22.095 2.103 401 HG SER 55 HG SER 55 36.541 23.506 -1.048 402 HB2 SER 55 HB2 SER 55 36.690 23.752 1.069 403 HB3 SER 55 HB1 SER 55 37.445 22.175 1.245 404 H THR 56 HN THR 56 34.364 21.944 -1.298 405 HA THR 56 HA THR 56 32.921 24.466 -1.278 406 HB THR 56 HB THR 56 32.118 23.655 -3.537 407 HG1 THR 56 HG1 THR 56 34.076 21.662 -3.260 408 HG21 THR 56 HG23 THR 56 34.321 23.962 -4.575 409 HG22 THR 56 HG21 THR 56 35.106 23.635 -3.029 410 HG23 THR 56 HG22 THR 56 34.115 25.081 -3.227 411 H VAL 57 HN VAL 57 31.670 21.281 -2.243 412 HA VAL 57 HA VAL 57 29.023 21.624 -1.916 413 HB VAL 57 HB VAL 57 30.620 19.195 -1.071 414 HG11 VAL 57 HG11 VAL 57 28.504 18.954 0.013 415 HG12 VAL 57 HG12 VAL 57 28.377 18.021 -1.478 416 HG13 VAL 57 HG13 VAL 57 27.638 19.619 -1.372 417 HG21 VAL 57 HG23 VAL 57 29.751 18.365 -3.287 418 HG22 VAL 57 HG21 VAL 57 30.875 19.718 -3.417 419 HG23 VAL 57 HG22 VAL 57 29.141 19.991 -3.593 420 H LYS 58 HN LYS 58 30.911 20.206 0.781 421 HA LYS 58 HA LYS 58 29.108 20.294 2.780 422 HB2 LYS 58 HB2 LYS 58 31.452 19.506 2.978 423 HB3 LYS 58 HB1 LYS 58 31.994 21.183 3.033 424 HG2 LYS 58 HG2 LYS 58 29.850 20.483 4.995 425 HG3 LYS 58 HG1 LYS 58 31.402 19.695 5.267 426 HD2 LYS 58 HD2 LYS 58 32.536 21.879 5.265 427 HD3 LYS 58 HD1 LYS 58 31.000 22.689 4.964 428 HE2 LYS 58 HE2 LYS 58 30.107 21.866 7.081 429 HE3 LYS 58 HE1 LYS 58 31.587 20.953 7.376 430 HZ1 LYS 58 HZ3 LYS 58 31.080 23.563 8.089 431 HZ2 LYS 58 HZ1 LYS 58 32.163 23.666 6.787 432 HZ3 LYS 58 HZ2 LYS 58 32.575 22.756 8.162 433 H ASP 59 HN ASP 59 31.379 22.997 2.276 434 HA ASP 59 HA ASP 59 30.042 24.787 3.968 435 HB2 ASP 59 HB2 ASP 59 31.846 25.264 1.586 436 HB3 ASP 59 HB1 ASP 59 31.250 26.564 2.613 437 H LYS 60 HN LYS 60 29.748 24.300 0.445 438 HA LYS 60 HA LYS 60 27.845 26.348 0.032 439 HB2 LYS 60 HB2 LYS 60 29.280 25.219 -1.719 440 HB3 LYS 60 HB1 LYS 60 28.251 23.800 -1.558 441 HG2 LYS 60 HG2 LYS 60 26.295 25.108 -2.261 442 HG3 LYS 60 HG1 LYS 60 27.293 26.559 -2.365 443 HD2 LYS 60 HD2 LYS 60 28.664 25.505 -4.113 444 HD3 LYS 60 HD1 LYS 60 27.703 24.029 -3.989 445 HE2 LYS 60 HE2 LYS 60 26.798 25.238 -5.842 446 HE3 LYS 60 HE1 LYS 60 25.664 25.473 -4.510 447 HZ1 LYS 60 HZ3 LYS 60 26.845 27.447 -5.958 448 HZ2 LYS 60 HZ1 LYS 60 27.765 27.417 -4.534 449 HZ3 LYS 60 HZ2 LYS 60 26.082 27.638 -4.452 450 H PHE 61 HN PHE 61 27.569 23.427 1.653 451 HA PHE 61 HA PHE 61 24.943 22.659 0.924 452 HD1 PHE 61 HD2 PHE 61 24.713 20.096 1.059 453 HD2 PHE 61 HD1 PHE 61 24.256 21.871 4.944 454 HE1 PHE 61 HE2 PHE 61 22.712 18.689 1.466 455 HE2 PHE 61 HE1 PHE 61 22.255 20.465 5.351 456 HZ PHE 61 HZ PHE 61 21.483 18.874 3.613 457 HB2 PHE 61 HB2 PHE 61 26.617 21.314 2.293 458 HB3 PHE 61 HB1 PHE 61 26.181 22.338 3.661 459 H SER 62 HN SER 62 26.235 25.259 2.789 460 HA SER 62 HA SER 62 23.881 25.768 4.378 461 HG SER 62 HG SER 62 26.519 25.699 5.062 462 HB2 SER 62 HB2 SER 62 26.229 27.519 3.650 463 HB3 SER 62 HB1 SER 62 24.927 28.025 4.721 464 H GLU 63 HN GLU 63 25.197 27.227 1.421 465 HA GLU 63 HA GLU 63 22.903 28.931 1.037 466 HB2 GLU 63 HB2 GLU 63 25.203 28.230 -0.802 467 HB3 GLU 63 HB1 GLU 63 23.991 29.470 -1.133 468 HG2 GLU 63 HG2 GLU 63 25.778 29.434 1.318 469 HG3 GLU 63 HG1 GLU 63 26.090 30.393 -0.126 470 H PHE 64 HN PHE 64 23.935 25.787 -0.163 471 HA PHE 64 HA PHE 64 22.305 25.525 -2.377 472 HD1 PHE 64 HD1 PHE 64 23.245 23.478 -4.028 473 HD2 PHE 64 HD2 PHE 64 21.088 21.975 -0.632 474 HE1 PHE 64 HE1 PHE 64 22.016 21.910 -5.504 475 HE2 PHE 64 HE2 PHE 64 19.858 20.406 -2.108 476 HZ PHE 64 HZ PHE 64 20.322 20.374 -4.544 477 HB2 PHE 64 HB2 PHE 64 24.012 23.878 -1.685 478 HB3 PHE 64 HB1 PHE 64 22.993 23.401 -0.328 479 H TRP 65 HN TRP 65 21.339 26.054 0.811 480 HA TRP 65 HA TRP 65 18.867 24.550 0.712 481 HD1 TRP 65 HD1 TRP 65 17.704 23.465 2.627 482 HE1 TRP 65 HE1 TRP 65 15.460 23.891 3.820 483 HE3 TRP 65 HE3 TRP 65 18.173 28.449 3.631 484 HZ2 TRP 65 HZ2 TRP 65 14.051 26.060 5.040 485 HZ3 TRP 65 HZ3 TRP 65 16.367 29.669 4.812 486 HH2 TRP 65 HH2 TRP 65 14.309 28.482 5.517 487 HB2 TRP 65 HB2 TRP 65 20.055 25.098 2.837 488 HB3 TRP 65 HB1 TRP 65 19.677 26.800 2.571 489 H ASP 66 HN ASP 66 19.718 28.015 0.600 490 HA ASP 66 HA ASP 66 17.026 28.754 -0.331 491 HB2 ASP 66 HB2 ASP 66 19.531 30.342 0.331 492 HB3 ASP 66 HB1 ASP 66 18.077 31.075 -0.342 493 H LEU 67 HN LEU 67 16.553 28.464 -2.354 494 HA LEU 67 HA LEU 67 18.591 28.556 -4.436 495 HG LEU 67 HG LEU 67 16.623 25.546 -5.033 496 HB2 LEU 67 HB2 LEU 67 15.705 27.686 -4.350 497 HB3 LEU 67 HB1 LEU 67 16.544 27.915 -5.883 498 HD11 LEU 67 HD11 LEU 67 18.728 25.193 -5.881 499 HD12 LEU 67 HD12 LEU 67 19.472 26.457 -4.908 500 HD13 LEU 67 HD13 LEU 67 18.567 26.878 -6.362 501 HD21 LEU 67 HD23 LEU 67 18.521 26.582 -2.922 502 HD22 LEU 67 HD21 LEU 67 17.782 24.986 -3.046 503 HD23 LEU 67 HD22 LEU 67 16.799 26.378 -2.596 504 H ASP 68 HN ASP 68 17.362 29.514 -6.589 505 HA ASP 68 HA ASP 68 17.661 32.269 -6.349 506 HB2 ASP 68 HB2 ASP 68 16.786 30.309 -8.369 507 HB3 ASP 68 HB1 ASP 68 15.986 31.861 -8.584 508 HA PRO 69 HA PRO 69 14.074 34.156 -4.759 509 HB2 PRO 69 HB2 PRO 69 13.023 35.369 -7.183 510 HB3 PRO 69 HB1 PRO 69 13.947 36.147 -5.887 511 HG2 PRO 69 HG2 PRO 69 14.870 35.150 -8.506 512 HG3 PRO 69 HG1 PRO 69 15.600 36.357 -7.436 513 HD2 PRO 69 HD2 PRO 69 16.678 33.899 -7.782 514 HD3 PRO 69 HD1 PRO 69 16.803 34.774 -6.245 515 H GLU 70 HN GLU 70 13.858 31.933 -7.365 516 HA GLU 70 HA GLU 70 11.025 31.337 -6.654 517 HB2 GLU 70 HB2 GLU 70 12.363 31.235 -9.366 518 HB3 GLU 70 HB1 GLU 70 10.775 30.552 -9.013 519 HG2 GLU 70 HG2 GLU 70 9.935 32.756 -8.361 520 HG3 GLU 70 HG1 GLU 70 11.535 33.458 -8.596 521 H VAL 71 HN VAL 71 11.167 29.600 -5.409 522 HA VAL 71 HA VAL 71 13.092 27.462 -6.083 523 HB VAL 71 HB VAL 71 12.998 28.168 -3.731 524 HG11 VAL 71 HG11 VAL 71 11.059 28.427 -2.508 525 HG12 VAL 71 HG12 VAL 71 10.235 27.096 -3.309 526 HG13 VAL 71 HG13 VAL 71 10.340 28.670 -4.098 527 HG21 VAL 71 HG23 VAL 71 13.290 25.721 -4.457 528 HG22 VAL 71 HG21 VAL 71 11.619 25.482 -3.949 529 HG23 VAL 71 HG22 VAL 71 12.834 25.989 -2.776 530 H ARG 72 HN ARG 72 12.065 26.635 -7.924 531 HA ARG 72 HA ARG 72 9.550 25.202 -7.376 532 HE ARG 72 HE ARG 72 8.220 30.308 -9.508 533 HB2 ARG 72 HB2 ARG 72 10.292 26.540 -9.967 534 HB3 ARG 72 HB1 ARG 72 8.868 25.528 -9.714 535 HG2 ARG 72 HG2 ARG 72 8.019 27.045 -8.021 536 HG3 ARG 72 HG1 ARG 72 9.490 28.018 -8.101 537 HD2 ARG 72 HD2 ARG 72 8.966 28.390 -10.560 538 HD3 ARG 72 HD1 ARG 72 7.392 27.662 -10.250 539 HH11 ARG 72 HH21 ARG 72 6.327 27.582 -8.526 540 HH12 ARG 72 HH22 ARG 72 5.143 28.532 -7.692 541 HH21 ARG 72 HH11 ARG 72 6.643 31.562 -8.462 542 HH22 ARG 72 HH12 ARG 72 5.322 30.784 -7.656 543 HA PRO 73 HA PRO 73 11.797 21.670 -8.840 544 HB2 PRO 73 HB2 PRO 73 9.450 20.248 -9.800 545 HB3 PRO 73 HB1 PRO 73 10.329 19.996 -8.284 546 HG2 PRO 73 HG2 PRO 73 7.755 21.036 -8.518 547 HG3 PRO 73 HG1 PRO 73 8.799 21.158 -7.093 548 HD2 PRO 73 HD2 PRO 73 8.170 23.227 -9.147 549 HD3 PRO 73 HD1 PRO 73 8.601 23.400 -7.436 550 H THR 74 HN THR 74 9.690 23.484 -10.894 551 HA THR 74 HA THR 74 10.417 22.090 -13.336 552 HB THR 74 HB THR 74 9.066 23.795 -14.465 553 HG1 THR 74 HG1 THR 74 8.733 25.620 -13.521 554 HG21 THR 74 HG23 THR 74 6.929 23.266 -13.381 555 HG22 THR 74 HG21 THR 74 7.781 22.758 -11.922 556 HG23 THR 74 HG22 THR 74 7.967 21.840 -13.418 557 H SER 75 HN SER 75 10.733 25.499 -12.444 558 HA SER 75 HA SER 75 12.604 26.124 -14.406 559 HG SER 75 HG SER 75 11.254 28.143 -14.246 560 HB2 SER 75 HB2 SER 75 12.189 27.380 -11.684 561 HB3 SER 75 HB1 SER 75 13.124 28.101 -12.989 562 H ALA 76 HN ALA 76 13.066 24.936 -11.094 563 HA ALA 76 HA ALA 76 15.826 25.287 -10.892 564 HB1 ALA 76 HB3 ALA 76 14.565 24.574 -8.970 565 HB2 ALA 76 HB1 ALA 76 15.742 23.314 -9.336 566 HB3 ALA 76 HB2 ALA 76 14.052 23.099 -9.789 567 H VAL 77 HN VAL 77 14.158 22.270 -11.800 568 HA VAL 77 HA VAL 77 16.458 20.934 -12.717 569 HB VAL 77 HB VAL 77 13.555 20.596 -13.524 570 HG11 VAL 77 HG11 VAL 77 14.353 18.280 -14.199 571 HG12 VAL 77 HG12 VAL 77 16.000 18.903 -14.093 572 HG13 VAL 77 HG13 VAL 77 14.870 19.588 -15.261 573 HG21 VAL 77 HG23 VAL 77 13.956 20.195 -11.154 574 HG22 VAL 77 HG21 VAL 77 15.338 19.165 -11.533 575 HG23 VAL 77 HG22 VAL 77 13.709 18.649 -11.966 576 H ALA 78 HN ALA 78 13.977 22.742 -14.571 577 HA ALA 78 HA ALA 78 15.298 22.463 -17.071 578 HB1 ALA 78 HB3 ALA 78 12.895 22.981 -16.869 579 HB2 ALA 78 HB1 ALA 78 13.736 24.198 -17.829 580 HB3 ALA 78 HB2 ALA 78 13.296 24.544 -16.156 581 H ALA 79 HN ALA 79 16.081 24.203 -14.335 582 HA ALA 79 HA ALA 79 18.312 25.490 -15.495 583 HB1 ALA 79 HB3 ALA 79 17.491 27.873 -15.114 584 HB2 ALA 79 HB1 ALA 79 15.861 27.199 -15.065 585 HB3 ALA 79 HB2 ALA 79 16.836 27.045 -16.527 Start of MODEL 8 1 HA SER 1 HA SER 1 4.600 -24.923 14.229 2 HG SER 1 HG SER 1 6.784 -23.583 16.460 3 H1 SER 1 HT1 SER 1 6.614 -25.153 13.324 4 H2 SER 1 HT2 SER 1 7.148 -25.428 14.914 5 H3 SER 1 HT3 SER 1 7.290 -23.884 14.222 6 HB2 SER 1 HB2 SER 1 4.235 -24.672 16.601 7 HB3 SER 1 HB1 SER 1 5.574 -25.796 16.390 8 H GLU 2 HN GLU 2 3.610 -23.220 13.358 9 HA GLU 2 HA GLU 2 3.840 -20.594 14.511 10 HB2 GLU 2 HB2 GLU 2 5.853 -20.646 13.056 11 HB3 GLU 2 HB1 GLU 2 4.817 -20.988 11.671 12 HG2 GLU 2 HG2 GLU 2 3.621 -18.868 12.018 13 HG3 GLU 2 HG1 GLU 2 4.612 -18.529 13.436 14 H ALA 3 HN ALA 3 2.166 -19.233 13.861 15 HA ALA 3 HA ALA 3 -0.232 -20.421 13.087 16 HB1 ALA 3 HB3 ALA 3 0.219 -18.161 14.293 17 HB2 ALA 3 HB1 ALA 3 -1.167 -18.272 13.210 18 HB3 ALA 3 HB2 ALA 3 0.317 -17.486 12.667 19 H GLU 4 HN GLU 4 -0.479 -21.388 11.209 20 HA GLU 4 HA GLU 4 0.814 -20.636 8.789 21 HB2 GLU 4 HB2 GLU 4 -1.585 -22.419 9.286 22 HB3 GLU 4 HB1 GLU 4 -0.758 -22.266 7.737 23 HG2 GLU 4 HG2 GLU 4 0.592 -23.124 10.313 24 HG3 GLU 4 HG1 GLU 4 0.014 -24.237 9.076 25 H ASP 5 HN ASP 5 -2.019 -19.535 10.391 26 HA ASP 5 HA ASP 5 -3.547 -18.662 8.178 27 HB2 ASP 5 HB2 ASP 5 -4.700 -17.223 9.785 28 HB3 ASP 5 HB1 ASP 5 -4.456 -18.835 10.458 29 H ALA 6 HN ALA 6 -0.663 -17.422 9.621 30 HA ALA 6 HA ALA 6 -0.802 -14.726 9.041 31 HB1 ALA 6 HB3 ALA 6 1.559 -16.621 8.976 32 HB2 ALA 6 HB1 ALA 6 1.030 -15.636 10.339 33 HB3 ALA 6 HB2 ALA 6 1.701 -14.864 8.903 34 H SER 7 HN SER 7 -0.126 -13.523 7.302 35 HA SER 7 HA SER 7 -0.755 -14.598 4.740 36 HG SER 7 HG SER 7 -0.091 -11.357 6.518 37 HB2 SER 7 HB2 SER 7 -0.008 -12.300 3.954 38 HB3 SER 7 HB1 SER 7 -1.334 -12.316 5.114 39 H LEU 8 HN LEU 8 0.786 -13.927 2.890 40 HA LEU 8 HA LEU 8 3.009 -15.615 2.938 41 HG LEU 8 HG LEU 8 4.649 -15.273 1.153 42 HB2 LEU 8 HB2 LEU 8 1.743 -14.504 0.918 43 HB3 LEU 8 HB1 LEU 8 2.933 -13.220 1.110 44 HD11 LEU 8 HD11 LEU 8 3.984 -17.178 -0.077 45 HD12 LEU 8 HD12 LEU 8 2.528 -16.391 -0.683 46 HD13 LEU 8 HD13 LEU 8 2.627 -16.876 1.008 47 HD21 LEU 8 HD23 LEU 8 4.713 -13.485 -0.516 48 HD22 LEU 8 HD21 LEU 8 3.345 -14.197 -1.371 49 HD23 LEU 8 HD22 LEU 8 4.892 -15.045 -1.319 50 H LEU 9 HN LEU 9 2.705 -12.852 4.713 51 HA LEU 9 HA LEU 9 5.359 -11.762 4.343 52 HG LEU 9 HG LEU 9 2.444 -10.793 4.153 53 HB2 LEU 9 HB2 LEU 9 3.259 -11.220 6.460 54 HB3 LEU 9 HB1 LEU 9 4.683 -10.232 6.127 55 HD11 LEU 9 HD11 LEU 9 1.588 -9.337 5.841 56 HD12 LEU 9 HD12 LEU 9 2.035 -8.300 4.486 57 HD13 LEU 9 HD13 LEU 9 3.087 -8.408 5.898 58 HD21 LEU 9 HD23 LEU 9 4.345 -10.372 2.826 59 HD22 LEU 9 HD21 LEU 9 5.030 -9.245 3.995 60 HD23 LEU 9 HD22 LEU 9 3.652 -8.765 3.008 61 H SER 10 HN SER 10 4.068 -14.422 5.864 62 HA SER 10 HA SER 10 5.454 -14.424 8.324 63 HG SER 10 HG SER 10 4.177 -16.553 5.745 64 HB2 SER 10 HB2 SER 10 4.944 -16.785 8.461 65 HB3 SER 10 HB1 SER 10 3.541 -15.930 7.828 66 H PHE 11 HN PHE 11 6.185 -16.465 5.528 67 HA PHE 11 HA PHE 11 8.620 -17.412 6.310 68 HD1 PHE 11 HD2 PHE 11 9.541 -19.447 5.033 69 HD2 PHE 11 HD1 PHE 11 9.951 -16.033 2.459 70 HE1 PHE 11 HE2 PHE 11 11.783 -20.242 4.336 71 HE2 PHE 11 HE1 PHE 11 12.194 -16.828 1.760 72 HZ PHE 11 HZ PHE 11 13.110 -18.933 2.699 73 HB2 PHE 11 HB2 PHE 11 7.541 -18.035 4.197 74 HB3 PHE 11 HB1 PHE 11 7.896 -16.439 3.536 75 H MET 12 HN MET 12 8.073 -14.333 4.582 76 HA MET 12 HA MET 12 10.764 -13.528 4.554 77 HB2 MET 12 HB2 MET 12 8.983 -12.500 3.168 78 HB3 MET 12 HB1 MET 12 8.314 -11.753 4.620 79 HG2 MET 12 HG2 MET 12 10.419 -10.539 4.992 80 HG3 MET 12 HG1 MET 12 11.134 -11.323 3.584 81 HE1 MET 12 HE3 MET 12 8.447 -9.304 5.064 82 HE2 MET 12 HE1 MET 12 7.288 -9.803 3.822 83 HE3 MET 12 HE2 MET 12 7.898 -8.152 3.850 84 H GLN 13 HN GLN 13 8.234 -12.041 6.550 85 HA GLN 13 HA GLN 13 9.569 -10.527 8.298 86 HB2 GLN 13 HB2 GLN 13 7.359 -12.492 8.877 87 HB3 GLN 13 HB1 GLN 13 7.997 -11.443 10.143 88 HG2 GLN 13 HG2 GLN 13 7.068 -10.359 7.477 89 HG3 GLN 13 HG1 GLN 13 5.971 -10.559 8.844 90 HE21 GLN 13 HE21 GLN 13 8.993 -9.925 10.135 91 HE22 GLN 13 HE22 GLN 13 8.859 -8.243 10.315 92 H GLY 14 HN GLY 14 9.256 -14.059 8.812 93 HA2 GLY 14 HA2 GLY 14 11.054 -14.126 11.010 94 HA3 GLY 14 HA1 GLY 14 10.514 -15.511 10.070 95 H TYR 15 HN TYR 15 11.457 -14.680 7.530 96 HA TYR 15 HA TYR 15 13.995 -15.736 7.453 97 HD1 TYR 15 HD2 TYR 15 14.562 -16.913 5.176 98 HD2 TYR 15 HD1 TYR 15 14.917 -12.661 4.689 99 HE1 TYR 15 HE2 TYR 15 16.666 -17.234 3.907 100 HE2 TYR 15 HE1 TYR 15 17.020 -12.981 3.418 101 HH TYR 15 HH TYR 15 18.775 -14.636 3.171 102 HB2 TYR 15 HB2 TYR 15 12.595 -15.299 5.443 103 HB3 TYR 15 HB1 TYR 15 12.950 -13.582 5.606 104 H MET 16 HN MET 16 13.420 -12.265 7.167 105 HA MET 16 HA MET 16 16.094 -11.540 7.537 106 HB2 MET 16 HB2 MET 16 14.287 -10.000 6.764 107 HB3 MET 16 HB1 MET 16 13.621 -10.004 8.395 108 HG2 MET 16 HG2 MET 16 15.714 -9.050 9.267 109 HG3 MET 16 HG1 MET 16 16.409 -9.070 7.646 110 HE1 MET 16 HE3 MET 16 13.040 -7.978 9.454 111 HE2 MET 16 HE1 MET 16 13.333 -6.231 9.447 112 HE3 MET 16 HE2 MET 16 14.465 -7.316 10.248 113 H LYS 17 HN LYS 17 13.615 -12.481 9.821 114 HA LYS 17 HA LYS 17 14.891 -11.454 12.143 115 HB2 LYS 17 HB2 LYS 17 12.475 -12.388 11.866 116 HB3 LYS 17 HB1 LYS 17 13.214 -13.952 12.185 117 HG2 LYS 17 HG2 LYS 17 12.689 -13.315 14.354 118 HG3 LYS 17 HG1 LYS 17 14.323 -12.669 14.234 119 HD2 LYS 17 HD2 LYS 17 13.358 -10.459 13.570 120 HD3 LYS 17 HD1 LYS 17 11.743 -11.129 13.798 121 HE2 LYS 17 HE2 LYS 17 13.871 -11.034 15.956 122 HE3 LYS 17 HE1 LYS 17 12.566 -9.858 15.792 123 HZ1 LYS 17 HZ3 LYS 17 11.021 -11.828 15.869 124 HZ2 LYS 17 HZ1 LYS 17 11.811 -11.452 17.321 125 HZ3 LYS 17 HZ2 LYS 17 12.353 -12.754 16.373 126 H HIS 18 HN HIS 18 15.025 -14.596 10.530 127 HA HIS 18 HA HIS 18 16.946 -15.664 12.403 128 HD1 HIS 18 HD1 HIS 18 16.911 -18.542 12.928 129 HD2 HIS 18 HD2 HIS 18 18.337 -18.046 9.042 130 HE1 HIS 18 HE1 HIS 18 18.799 -20.204 12.640 131 HB2 HIS 18 HB2 HIS 18 15.318 -17.145 11.342 132 HB3 HIS 18 HB1 HIS 18 15.950 -16.728 9.749 133 H ALA 19 HN ALA 19 17.030 -14.638 8.954 134 HA ALA 19 HA ALA 19 19.678 -15.250 8.431 135 HB1 ALA 19 HB3 ALA 19 19.549 -13.519 6.687 136 HB2 ALA 19 HB1 ALA 19 18.109 -12.858 7.458 137 HB3 ALA 19 HB2 ALA 19 18.061 -14.467 6.738 138 H THR 20 HN THR 20 18.418 -12.783 10.414 139 HA THR 20 HA THR 20 20.645 -11.017 10.407 140 HB THR 20 HB THR 20 18.260 -10.715 11.440 141 HG1 THR 20 HG1 THR 20 19.812 -9.125 11.528 142 HG21 THR 20 HG23 THR 20 18.834 -12.750 13.044 143 HG22 THR 20 HG21 THR 20 17.888 -11.385 13.641 144 HG23 THR 20 HG22 THR 20 19.610 -11.493 14.005 145 H LYS 21 HN LYS 21 20.213 -14.157 11.603 146 HA LYS 21 HA LYS 21 22.051 -14.071 13.780 147 HB2 LYS 21 HB2 LYS 21 20.293 -15.861 13.416 148 HB3 LYS 21 HB1 LYS 21 21.344 -16.514 12.164 149 HG2 LYS 21 HG2 LYS 21 21.961 -17.751 14.075 150 HG3 LYS 21 HG1 LYS 21 23.198 -16.502 13.985 151 HD2 LYS 21 HD2 LYS 21 22.163 -15.223 15.737 152 HD3 LYS 21 HD1 LYS 21 20.693 -16.192 15.669 153 HE2 LYS 21 HE2 LYS 21 22.008 -16.892 17.591 154 HE3 LYS 21 HE1 LYS 21 22.042 -18.180 16.386 155 HZ1 LYS 21 HZ3 LYS 21 24.191 -17.545 15.700 156 HZ2 LYS 21 HZ1 LYS 21 24.240 -17.581 17.394 157 HZ3 LYS 21 HZ2 LYS 21 24.136 -16.093 16.579 158 H THR 22 HN THR 22 22.342 -14.767 10.341 159 HA THR 22 HA THR 22 24.951 -15.805 10.360 160 HB THR 22 HB THR 22 25.013 -15.178 7.986 161 HG1 THR 22 HG1 THR 22 23.925 -13.508 7.385 162 HG21 THR 22 HG23 THR 22 23.690 -17.151 8.731 163 HG22 THR 22 HG21 THR 22 23.020 -16.401 7.283 164 HG23 THR 22 HG22 THR 22 22.265 -16.120 8.852 165 H ALA 23 HN ALA 23 23.903 -12.668 11.070 166 HA ALA 23 HA ALA 23 25.820 -10.964 10.122 167 HB1 ALA 23 HB3 ALA 23 25.455 -9.673 12.253 168 HB2 ALA 23 HB1 ALA 23 24.483 -11.025 12.836 169 HB3 ALA 23 HB2 ALA 23 23.970 -10.118 11.413 170 H LYS 24 HN LYS 24 25.976 -12.867 13.142 171 HA LYS 24 HA LYS 24 28.494 -12.121 14.010 172 HB2 LYS 24 HB2 LYS 24 26.919 -13.557 15.248 173 HB3 LYS 24 HB1 LYS 24 27.236 -14.875 14.128 174 HG2 LYS 24 HG2 LYS 24 29.615 -14.864 14.776 175 HG3 LYS 24 HG1 LYS 24 29.306 -13.542 15.899 176 HD2 LYS 24 HD2 LYS 24 27.787 -16.154 16.068 177 HD3 LYS 24 HD1 LYS 24 29.343 -15.944 16.864 178 HE2 LYS 24 HE2 LYS 24 28.353 -13.877 17.989 179 HE3 LYS 24 HE1 LYS 24 26.786 -14.400 17.375 180 HZ1 LYS 24 HZ3 LYS 24 28.118 -15.300 19.650 181 HZ2 LYS 24 HZ1 LYS 24 28.077 -16.592 18.553 182 HZ3 LYS 24 HZ2 LYS 24 26.630 -15.837 19.025 183 H ASP 25 HN ASP 25 28.024 -15.248 12.551 184 HA ASP 25 HA ASP 25 30.557 -15.910 11.844 185 HB2 ASP 25 HB2 ASP 25 28.000 -16.491 10.337 186 HB3 ASP 25 HB1 ASP 25 29.546 -17.212 9.901 187 H ALA 26 HN ALA 26 28.289 -13.933 9.990 188 HA ALA 26 HA ALA 26 30.042 -13.476 7.791 189 HB1 ALA 26 HB3 ALA 26 28.451 -11.851 7.079 190 HB2 ALA 26 HB1 ALA 26 27.828 -11.640 8.716 191 HB3 ALA 26 HB2 ALA 26 27.511 -13.136 7.837 192 H LEU 27 HN LEU 27 29.349 -11.778 10.834 193 HA LEU 27 HA LEU 27 30.866 -9.461 10.316 194 HG LEU 27 HG LEU 27 32.209 -9.081 13.024 195 HB2 LEU 27 HB2 LEU 27 29.327 -9.649 12.235 196 HB3 LEU 27 HB1 LEU 27 30.415 -10.815 12.977 197 HD11 LEU 27 HD11 LEU 27 30.040 -7.471 11.697 198 HD12 LEU 27 HD12 LEU 27 31.761 -7.550 11.321 199 HD13 LEU 27 HD13 LEU 27 31.212 -6.660 12.737 200 HD21 LEU 27 HD23 LEU 27 29.573 -8.385 14.350 201 HD22 LEU 27 HD21 LEU 27 31.124 -7.677 14.801 202 HD23 LEU 27 HD22 LEU 27 30.851 -9.407 15.008 203 H SER 28 HN SER 28 31.845 -12.479 11.801 204 HA SER 28 HA SER 28 34.498 -11.771 12.393 205 HG SER 28 HG SER 28 33.117 -15.540 11.847 206 HB2 SER 28 HB2 SER 28 34.930 -14.209 12.396 207 HB3 SER 28 HB1 SER 28 33.461 -13.801 13.278 208 H SER 29 HN SER 29 32.879 -12.620 9.502 209 HA SER 29 HA SER 29 35.266 -13.217 7.960 210 HG SER 29 HG SER 29 34.372 -14.329 5.814 211 HB2 SER 29 HB2 SER 29 32.924 -14.010 7.364 212 HB3 SER 29 HB1 SER 29 32.619 -12.375 6.785 213 H VAL 30 HN VAL 30 34.286 -10.360 9.275 214 HA VAL 30 HA VAL 30 34.430 -8.459 7.249 215 HB VAL 30 HB VAL 30 33.804 -7.927 9.555 216 HG11 VAL 30 HG11 VAL 30 36.758 -8.131 10.193 217 HG12 VAL 30 HG12 VAL 30 35.595 -9.404 10.563 218 HG13 VAL 30 HG13 VAL 30 35.436 -7.819 11.320 219 HG21 VAL 30 HG23 VAL 30 34.625 -5.742 9.490 220 HG22 VAL 30 HG21 VAL 30 34.962 -6.246 7.836 221 HG23 VAL 30 HG22 VAL 30 36.248 -6.249 9.040 222 H GLN 31 HN GLN 31 36.786 -10.664 7.791 223 HA GLN 31 HA GLN 31 39.260 -9.488 7.882 224 HB2 GLN 31 HB2 GLN 31 38.322 -11.671 5.996 225 HB3 GLN 31 HB1 GLN 31 40.016 -11.295 6.309 226 HG2 GLN 31 HG2 GLN 31 39.687 -11.810 8.705 227 HG3 GLN 31 HG1 GLN 31 37.988 -12.166 8.396 228 HE21 GLN 31 HE21 GLN 31 37.805 -14.431 8.556 229 HE22 GLN 31 HE22 GLN 31 38.832 -15.532 7.772 230 H GLU 32 HN GLU 32 36.859 -8.807 5.587 231 HA GLU 32 HA GLU 32 38.573 -7.977 3.446 232 HB2 GLU 32 HB2 GLU 32 36.131 -8.567 3.213 233 HB3 GLU 32 HB1 GLU 32 35.750 -7.070 4.063 234 HG2 GLU 32 HG2 GLU 32 36.783 -5.742 2.333 235 HG3 GLU 32 HG1 GLU 32 37.422 -7.179 1.541 236 H SER 33 HN SER 33 38.113 -6.849 6.554 237 HA SER 33 HA SER 33 37.907 -4.086 6.330 238 HG SER 33 HG SER 33 40.571 -4.479 8.818 239 HB2 SER 33 HB2 SER 33 37.887 -4.703 8.552 240 HB3 SER 33 HB1 SER 33 39.133 -5.930 8.333 241 H GLN 34 HN GLN 34 40.386 -6.203 5.317 242 HA GLN 34 HA GLN 34 42.707 -4.715 5.518 243 HB2 GLN 34 HB2 GLN 34 42.569 -6.965 4.471 244 HB3 GLN 34 HB1 GLN 34 41.835 -6.232 3.045 245 HG2 GLN 34 HG2 GLN 34 43.827 -4.931 2.603 246 HG3 GLN 34 HG1 GLN 34 44.548 -5.421 4.136 247 HE21 GLN 34 HE21 GLN 34 46.283 -6.743 3.501 248 HE22 GLN 34 HE22 GLN 34 46.134 -8.070 2.452 249 H VAL 35 HN VAL 35 39.851 -3.803 3.874 250 HA VAL 35 HA VAL 35 40.499 -2.338 1.705 251 HB VAL 35 HB VAL 35 38.237 -2.377 2.549 252 HG11 VAL 35 HG11 VAL 35 39.464 -0.945 4.905 253 HG12 VAL 35 HG12 VAL 35 38.422 -2.361 4.890 254 HG13 VAL 35 HG13 VAL 35 37.747 -0.775 4.546 255 HG21 VAL 35 HG23 VAL 35 39.083 -0.383 1.185 256 HG22 VAL 35 HG21 VAL 35 39.150 0.506 2.706 257 HG23 VAL 35 HG22 VAL 35 37.609 -0.111 2.113 258 H ALA 36 HN ALA 36 41.773 -1.814 4.829 259 HA ALA 36 HA ALA 36 42.414 0.908 4.898 260 HB1 ALA 36 HB3 ALA 36 44.245 0.281 6.340 261 HB2 ALA 36 HB1 ALA 36 44.273 -1.353 5.675 262 HB3 ALA 36 HB2 ALA 36 42.915 -0.829 6.670 263 H GLN 37 HN GLN 37 44.670 -1.613 3.816 264 HA GLN 37 HA GLN 37 46.573 -0.111 2.593 265 HB2 GLN 37 HB2 GLN 37 46.627 -2.587 2.629 266 HB3 GLN 37 HB1 GLN 37 45.395 -2.624 1.367 267 HG2 GLN 37 HG2 GLN 37 46.878 -1.478 -0.186 268 HG3 GLN 37 HG1 GLN 37 48.087 -1.256 1.080 269 HE21 GLN 37 HE21 GLN 37 48.766 -2.655 -1.302 270 HE22 GLN 37 HE22 GLN 37 49.002 -4.293 -0.925 271 H GLN 38 HN GLN 38 43.431 -1.010 1.163 272 HA GLN 38 HA GLN 38 43.783 0.253 -1.331 273 HB2 GLN 38 HB2 GLN 38 41.868 -1.318 -0.440 274 HB3 GLN 38 HB1 GLN 38 41.112 0.183 0.078 275 HG2 GLN 38 HG2 GLN 38 40.248 -0.176 -2.083 276 HG3 GLN 38 HG1 GLN 38 41.519 1.023 -2.318 277 HE21 GLN 38 HE21 GLN 38 41.041 -2.547 -2.375 278 HE22 GLN 38 HE22 GLN 38 42.168 -2.823 -3.614 279 H ALA 39 HN ALA 39 41.932 1.381 1.460 280 HA ALA 39 HA ALA 39 41.405 3.980 0.765 281 HB1 ALA 39 HB3 ALA 39 40.815 2.899 2.983 282 HB2 ALA 39 HB1 ALA 39 41.351 4.575 3.101 283 HB3 ALA 39 HB2 ALA 39 42.455 3.266 3.518 284 H ARG 40 HN ARG 40 44.368 2.906 2.439 285 HA ARG 40 HA ARG 40 45.753 5.342 2.231 286 HE ARG 40 HE ARG 40 48.137 2.368 5.278 287 HB2 ARG 40 HB2 ARG 40 46.365 3.278 3.630 288 HB3 ARG 40 HB1 ARG 40 47.081 2.629 2.155 289 HG2 ARG 40 HG2 ARG 40 48.551 4.618 2.003 290 HG3 ARG 40 HG1 ARG 40 47.839 5.247 3.488 291 HD2 ARG 40 HD2 ARG 40 49.272 2.586 3.264 292 HD3 ARG 40 HD1 ARG 40 50.008 4.065 3.873 293 HH11 ARG 40 HH21 ARG 40 49.386 5.568 4.882 294 HH12 ARG 40 HH22 ARG 40 49.059 6.048 6.514 295 HH21 ARG 40 HH11 ARG 40 47.731 2.978 7.430 296 HH22 ARG 40 HH12 ARG 40 48.122 4.581 7.956 297 H GLY 41 HN GLY 41 44.751 3.401 -0.096 298 HA2 GLY 41 HA2 GLY 41 46.897 3.741 -2.043 299 HA3 GLY 41 HA1 GLY 41 45.304 3.063 -2.376 300 H TRP 42 HN TRP 42 43.504 4.731 -1.966 301 HA TRP 42 HA TRP 42 43.436 6.540 -3.993 302 HD1 TRP 42 HD1 TRP 42 41.096 4.320 -1.508 303 HE1 TRP 42 HE1 TRP 42 39.452 3.197 -3.140 304 HE3 TRP 42 HE3 TRP 42 40.955 7.852 -5.197 305 HZ2 TRP 42 HZ2 TRP 42 38.238 3.718 -5.671 306 HZ3 TRP 42 HZ3 TRP 42 39.547 7.509 -7.208 307 HH2 TRP 42 HH2 TRP 42 38.188 5.449 -7.448 308 HB2 TRP 42 HB2 TRP 42 42.068 6.726 -1.305 309 HB3 TRP 42 HB1 TRP 42 41.748 7.866 -2.608 310 H VAL 43 HN VAL 43 45.194 6.834 -1.111 311 HA VAL 43 HA VAL 43 45.524 9.661 -0.978 312 HB VAL 43 HB VAL 43 47.278 7.407 -0.004 313 HG11 VAL 43 HG11 VAL 43 48.144 9.288 1.523 314 HG12 VAL 43 HG12 VAL 43 47.432 10.402 0.354 315 HG13 VAL 43 HG13 VAL 43 48.709 9.295 -0.148 316 HG21 VAL 43 HG23 VAL 43 45.386 9.248 1.484 317 HG22 VAL 43 HG21 VAL 43 46.213 7.829 2.129 318 HG23 VAL 43 HG22 VAL 43 44.939 7.637 0.924 319 H THR 44 HN THR 44 47.435 7.085 -2.455 320 HA THR 44 HA THR 44 49.596 8.555 -3.405 321 HB THR 44 HB THR 44 49.855 6.831 -5.154 322 HG1 THR 44 HG1 THR 44 47.952 6.260 -5.884 323 HG21 THR 44 HG23 THR 44 50.556 6.308 -2.859 324 HG22 THR 44 HG21 THR 44 49.918 4.870 -3.655 325 HG23 THR 44 HG22 THR 44 48.930 5.740 -2.481 326 H ASP 45 HN ASP 45 46.382 8.175 -4.799 327 HA ASP 45 HA ASP 45 47.046 9.728 -7.151 328 HB2 ASP 45 HB2 ASP 45 44.800 9.342 -7.848 329 HB3 ASP 45 HB1 ASP 45 45.357 7.845 -7.115 330 H GLY 46 HN GLY 46 46.892 10.664 -4.110 331 HA2 GLY 46 HA2 GLY 46 46.641 12.817 -3.190 332 HA3 GLY 46 HA1 GLY 46 46.189 13.383 -4.798 333 H PHE 47 HN PHE 47 44.790 11.096 -2.383 334 HA PHE 47 HA PHE 47 42.139 11.347 -3.123 335 HD1 PHE 47 HD1 PHE 47 40.505 9.828 -2.638 336 HD2 PHE 47 HD2 PHE 47 41.501 11.327 1.267 337 HE1 PHE 47 HE1 PHE 47 38.137 9.640 -1.964 338 HE2 PHE 47 HE2 PHE 47 39.121 11.134 1.939 339 HZ PHE 47 HZ PHE 47 37.446 10.284 0.325 340 HB2 PHE 47 HB2 PHE 47 42.971 9.723 -1.453 341 HB3 PHE 47 HB1 PHE 47 43.209 11.041 -0.309 342 H SER 48 HN SER 48 44.176 13.684 -1.664 343 HA SER 48 HA SER 48 42.513 15.243 -0.136 344 HG SER 48 HG SER 48 44.666 15.919 0.700 345 HB2 SER 48 HB2 SER 48 44.614 16.128 -2.121 346 HB3 SER 48 HB1 SER 48 43.851 17.203 -0.952 347 H SER 49 HN SER 49 42.453 14.810 -3.619 348 HA SER 49 HA SER 49 41.120 17.019 -4.505 349 HG SER 49 HG SER 49 40.340 16.395 -6.929 350 HB2 SER 49 HB2 SER 49 41.827 15.164 -5.956 351 HB3 SER 49 HB1 SER 49 40.572 14.139 -5.264 352 H LEU 50 HN LEU 50 40.037 14.861 -2.109 353 HA LEU 50 HA LEU 50 37.206 15.233 -2.577 354 HG LEU 50 HG LEU 50 36.603 15.015 0.551 355 HB2 LEU 50 HB2 LEU 50 37.921 13.182 -1.482 356 HB3 LEU 50 HB1 LEU 50 38.737 14.102 -0.220 357 HD11 LEU 50 HD11 LEU 50 34.491 13.888 -0.528 358 HD12 LEU 50 HD12 LEU 50 35.555 13.640 -1.912 359 HD13 LEU 50 HD13 LEU 50 35.234 15.272 -1.326 360 HD21 LEU 50 HD23 LEU 50 37.438 12.594 1.151 361 HD22 LEU 50 HD21 LEU 50 36.022 12.089 0.227 362 HD23 LEU 50 HD22 LEU 50 35.829 13.115 1.644 363 H LYS 51 HN LYS 51 39.778 16.706 -0.727 364 HA LYS 51 HA LYS 51 38.264 18.186 1.120 365 HB2 LYS 51 HB2 LYS 51 40.945 18.755 -0.162 366 HB3 LYS 51 HB1 LYS 51 40.272 19.712 1.158 367 HG2 LYS 51 HG2 LYS 51 40.145 17.680 2.564 368 HG3 LYS 51 HG1 LYS 51 40.828 16.729 1.244 369 HD2 LYS 51 HD2 LYS 51 42.877 18.094 1.304 370 HD3 LYS 51 HD1 LYS 51 42.196 19.069 2.607 371 HE2 LYS 51 HE2 LYS 51 42.071 17.076 4.047 372 HE3 LYS 51 HE1 LYS 51 42.727 16.084 2.745 373 HZ1 LYS 51 HZ3 LYS 51 44.466 16.720 4.269 374 HZ2 LYS 51 HZ1 LYS 51 44.093 18.363 4.076 375 HZ3 LYS 51 HZ2 LYS 51 44.722 17.477 2.769 376 H ASP 52 HN ASP 52 39.311 18.919 -2.163 377 HA ASP 52 HA ASP 52 38.428 21.575 -2.322 378 HB2 ASP 52 HB2 ASP 52 38.542 19.441 -4.467 379 HB3 ASP 52 HB1 ASP 52 38.240 21.148 -4.785 380 H TYR 53 HN TYR 53 36.710 18.746 -3.666 381 HA TYR 53 HA TYR 53 34.272 20.089 -3.993 382 HD1 TYR 53 HD1 TYR 53 32.981 19.196 -6.128 383 HD2 TYR 53 HD2 TYR 53 36.535 16.914 -5.355 384 HE1 TYR 53 HE1 TYR 53 33.596 19.338 -8.526 385 HE2 TYR 53 HE2 TYR 53 37.151 17.058 -7.752 386 HH TYR 53 HH TYR 53 36.106 17.437 -9.897 387 HB2 TYR 53 HB2 TYR 53 34.894 17.151 -3.657 388 HB3 TYR 53 HB1 TYR 53 33.284 17.760 -4.037 389 H TRP 54 HN TRP 54 35.399 18.002 -1.311 390 HA TRP 54 HA TRP 54 33.054 18.105 0.208 391 HD1 TRP 54 HD1 TRP 54 32.383 16.793 2.129 392 HE1 TRP 54 HE1 TRP 54 32.180 16.969 4.692 393 HE3 TRP 54 HE3 TRP 54 37.050 18.532 3.269 394 HZ2 TRP 54 HZ2 TRP 54 33.781 17.742 6.928 395 HZ3 TRP 54 HZ3 TRP 54 37.684 18.975 5.626 396 HH2 TRP 54 HH2 TRP 54 36.056 18.582 7.454 397 HB2 TRP 54 HB2 TRP 54 34.929 16.598 0.690 398 HB3 TRP 54 HB1 TRP 54 35.934 17.975 1.137 399 H SER 55 HN SER 55 36.016 20.059 0.642 400 HA SER 55 HA SER 55 35.077 21.813 2.550 401 HG SER 55 HG SER 55 36.949 21.697 -0.485 402 HB2 SER 55 HB2 SER 55 36.760 23.395 1.771 403 HB3 SER 55 HB1 SER 55 37.417 21.763 1.747 404 H THR 56 HN THR 56 34.517 21.803 -0.902 405 HA THR 56 HA THR 56 33.146 24.364 -0.901 406 HB THR 56 HB THR 56 33.208 22.187 -3.005 407 HG1 THR 56 HG1 THR 56 34.615 24.617 -3.046 408 HG21 THR 56 HG23 THR 56 32.158 25.013 -2.944 409 HG22 THR 56 HG21 THR 56 31.371 23.554 -3.547 410 HG23 THR 56 HG22 THR 56 32.697 24.281 -4.455 411 H VAL 57 HN VAL 57 31.872 21.262 -2.084 412 HA VAL 57 HA VAL 57 29.223 21.639 -1.919 413 HB VAL 57 HB VAL 57 30.647 19.144 -0.958 414 HG11 VAL 57 HG11 VAL 57 27.784 19.666 -1.809 415 HG12 VAL 57 HG12 VAL 57 28.340 19.043 -0.255 416 HG13 VAL 57 HG13 VAL 57 28.486 18.052 -1.705 417 HG21 VAL 57 HG23 VAL 57 31.185 19.991 -3.284 418 HG22 VAL 57 HG21 VAL 57 29.476 19.801 -3.676 419 HG23 VAL 57 HG22 VAL 57 30.443 18.392 -3.244 420 H LYS 58 HN LYS 58 30.961 20.206 0.864 421 HA LYS 58 HA LYS 58 29.016 20.238 2.762 422 HB2 LYS 58 HB2 LYS 58 31.305 19.427 3.160 423 HB3 LYS 58 HB1 LYS 58 31.892 21.090 3.164 424 HG2 LYS 58 HG2 LYS 58 30.512 21.613 5.115 425 HG3 LYS 58 HG1 LYS 58 29.824 19.989 5.088 426 HD2 LYS 58 HD2 LYS 58 32.057 19.037 5.480 427 HD3 LYS 58 HD1 LYS 58 32.754 20.657 5.500 428 HE2 LYS 58 HE2 LYS 58 31.334 21.241 7.431 429 HE3 LYS 58 HE1 LYS 58 30.638 19.620 7.411 430 HZ1 LYS 58 HZ3 LYS 58 32.381 18.826 8.497 431 HZ2 LYS 58 HZ1 LYS 58 32.908 20.420 8.734 432 HZ3 LYS 58 HZ2 LYS 58 33.478 19.526 7.406 433 H ASP 59 HN ASP 59 31.303 22.952 2.342 434 HA ASP 59 HA ASP 59 29.949 24.731 4.028 435 HB2 ASP 59 HB2 ASP 59 31.779 25.206 1.668 436 HB3 ASP 59 HB1 ASP 59 31.171 26.514 2.681 437 H LYS 60 HN LYS 60 29.676 24.238 0.513 438 HA LYS 60 HA LYS 60 27.801 26.299 0.101 439 HB2 LYS 60 HB2 LYS 60 28.406 23.772 -1.446 440 HB3 LYS 60 HB1 LYS 60 27.372 25.058 -2.050 441 HG2 LYS 60 HG2 LYS 60 30.253 25.488 -1.199 442 HG3 LYS 60 HG1 LYS 60 29.777 25.137 -2.860 443 HD2 LYS 60 HD2 LYS 60 28.162 27.166 -2.586 444 HD3 LYS 60 HD1 LYS 60 29.169 27.583 -1.201 445 HE2 LYS 60 HE2 LYS 60 31.162 27.634 -2.620 446 HE3 LYS 60 HE1 LYS 60 30.198 27.146 -4.017 447 HZ1 LYS 60 HZ3 LYS 60 29.214 29.442 -2.553 448 HZ2 LYS 60 HZ1 LYS 60 29.303 29.178 -4.225 449 HZ3 LYS 60 HZ2 LYS 60 30.685 29.683 -3.371 450 H PHE 61 HN PHE 61 27.459 23.418 1.739 451 HA PHE 61 HA PHE 61 24.831 22.685 0.963 452 HD1 PHE 61 HD1 PHE 61 24.530 20.057 1.177 453 HD2 PHE 61 HD2 PHE 61 24.102 22.020 4.974 454 HE1 PHE 61 HE1 PHE 61 22.482 18.733 1.631 455 HE2 PHE 61 HE2 PHE 61 22.054 20.697 5.427 456 HZ PHE 61 HZ PHE 61 21.243 19.054 3.755 457 HB2 PHE 61 HB2 PHE 61 26.442 21.283 2.320 458 HB3 PHE 61 HB1 PHE 61 26.078 22.325 3.695 459 H SER 62 HN SER 62 26.143 25.261 2.838 460 HA SER 62 HA SER 62 23.778 25.802 4.403 461 HG SER 62 HG SER 62 26.848 26.002 5.045 462 HB2 SER 62 HB2 SER 62 26.147 27.557 3.742 463 HB3 SER 62 HB1 SER 62 24.868 27.979 4.877 464 H GLU 63 HN GLU 63 25.237 27.427 1.590 465 HA GLU 63 HA GLU 63 22.965 29.136 1.176 466 HB2 GLU 63 HB2 GLU 63 24.139 29.808 -0.877 467 HB3 GLU 63 HB1 GLU 63 25.224 29.815 0.512 468 HG2 GLU 63 HG2 GLU 63 26.487 28.706 -1.130 469 HG3 GLU 63 HG1 GLU 63 25.798 27.383 -0.196 470 H PHE 64 HN PHE 64 24.037 26.040 -0.126 471 HA PHE 64 HA PHE 64 22.449 25.893 -2.394 472 HD1 PHE 64 HD1 PHE 64 22.764 24.146 -4.147 473 HD2 PHE 64 HD2 PHE 64 21.774 21.915 -0.611 474 HE1 PHE 64 HE1 PHE 64 21.432 22.567 -5.515 475 HE2 PHE 64 HE2 PHE 64 20.441 20.336 -1.982 476 HZ PHE 64 HZ PHE 64 20.269 20.663 -4.434 477 HB2 PHE 64 HB2 PHE 64 24.144 24.225 -1.900 478 HB3 PHE 64 HB1 PHE 64 23.272 23.717 -0.454 479 H TRP 65 HN TRP 65 21.406 26.341 0.741 480 HA TRP 65 HA TRP 65 19.001 24.736 0.619 481 HD1 TRP 65 HD1 TRP 65 17.488 27.887 3.268 482 HE1 TRP 65 HE1 TRP 65 15.308 26.805 4.113 483 HE3 TRP 65 HE3 TRP 65 18.558 22.972 2.403 484 HZ2 TRP 65 HZ2 TRP 65 14.168 24.194 4.385 485 HZ3 TRP 65 HZ3 TRP 65 16.911 21.209 2.963 486 HH2 TRP 65 HH2 TRP 65 14.718 21.812 3.952 487 HB2 TRP 65 HB2 TRP 65 20.091 25.329 2.762 488 HB3 TRP 65 HB1 TRP 65 19.737 27.030 2.457 489 H ASP 66 HN ASP 66 19.729 28.226 0.467 490 HA ASP 66 HA ASP 66 17.032 28.855 -0.521 491 HB2 ASP 66 HB2 ASP 66 18.170 30.337 1.129 492 HB3 ASP 66 HB1 ASP 66 19.427 30.670 -0.063 493 H LEU 67 HN LEU 67 16.588 28.610 -2.540 494 HA LEU 67 HA LEU 67 18.649 28.678 -4.600 495 HG LEU 67 HG LEU 67 16.659 25.709 -5.253 496 HB2 LEU 67 HB2 LEU 67 15.762 27.830 -4.527 497 HB3 LEU 67 HB1 LEU 67 16.577 28.096 -6.066 498 HD11 LEU 67 HD11 LEU 67 19.518 26.574 -5.195 499 HD12 LEU 67 HD12 LEU 67 18.583 27.068 -6.605 500 HD13 LEU 67 HD13 LEU 67 18.721 25.363 -6.194 501 HD21 LEU 67 HD23 LEU 67 16.891 26.487 -2.817 502 HD22 LEU 67 HD21 LEU 67 18.599 26.736 -3.173 503 HD23 LEU 67 HD22 LEU 67 17.897 25.124 -3.306 504 H ASP 68 HN ASP 68 17.452 29.644 -6.767 505 HA ASP 68 HA ASP 68 17.818 32.385 -6.568 506 HB2 ASP 68 HB2 ASP 68 16.077 31.967 -8.772 507 HB3 ASP 68 HB1 ASP 68 17.835 31.982 -8.817 508 HA PRO 69 HA PRO 69 14.286 34.410 -5.004 509 HB2 PRO 69 HB2 PRO 69 13.254 35.608 -7.440 510 HB3 PRO 69 HB1 PRO 69 14.214 36.377 -6.169 511 HG2 PRO 69 HG2 PRO 69 15.078 35.314 -8.779 512 HG3 PRO 69 HG1 PRO 69 15.855 36.516 -7.735 513 HD2 PRO 69 HD2 PRO 69 16.859 34.020 -8.048 514 HD3 PRO 69 HD1 PRO 69 17.029 34.918 -6.532 515 H GLU 70 HN GLU 70 13.994 32.149 -7.569 516 HA GLU 70 HA GLU 70 11.148 31.646 -6.843 517 HB2 GLU 70 HB2 GLU 70 12.461 31.488 -9.565 518 HB3 GLU 70 HB1 GLU 70 10.851 30.866 -9.198 519 HG2 GLU 70 HG2 GLU 70 10.130 33.124 -8.512 520 HG3 GLU 70 HG1 GLU 70 11.743 33.746 -8.856 521 H VAL 71 HN VAL 71 11.219 29.888 -5.624 522 HA VAL 71 HA VAL 71 13.110 27.721 -6.287 523 HB VAL 71 HB VAL 71 11.164 27.824 -3.972 524 HG11 VAL 71 HG11 VAL 71 13.825 26.428 -4.396 525 HG12 VAL 71 HG12 VAL 71 12.237 25.664 -4.474 526 HG13 VAL 71 HG13 VAL 71 12.826 26.321 -2.947 527 HG21 VAL 71 HG23 VAL 71 12.360 29.831 -3.669 528 HG22 VAL 71 HG21 VAL 71 13.858 29.147 -4.298 529 HG23 VAL 71 HG22 VAL 71 13.265 28.661 -2.710 530 H ARG 72 HN ARG 72 12.088 26.968 -8.170 531 HA ARG 72 HA ARG 72 9.560 25.543 -7.662 532 HE ARG 72 HE ARG 72 5.975 27.707 -7.190 533 HB2 ARG 72 HB2 ARG 72 10.317 27.155 -10.083 534 HB3 ARG 72 HB1 ARG 72 9.084 25.897 -10.160 535 HG2 ARG 72 HG2 ARG 72 8.914 27.946 -7.955 536 HG3 ARG 72 HG1 ARG 72 8.417 28.413 -9.580 537 HD2 ARG 72 HD2 ARG 72 6.839 26.512 -9.650 538 HD3 ARG 72 HD1 ARG 72 7.336 26.033 -8.031 539 HH11 ARG 72 HH21 ARG 72 6.631 28.193 -10.546 540 HH12 ARG 72 HH22 ARG 72 5.615 29.589 -10.689 541 HH21 ARG 72 HH11 ARG 72 4.679 29.567 -7.349 542 HH22 ARG 72 HH12 ARG 72 4.507 30.369 -8.874 543 HA PRO 73 HA PRO 73 11.979 21.969 -8.826 544 HB2 PRO 73 HB2 PRO 73 9.679 20.483 -9.760 545 HB3 PRO 73 HB1 PRO 73 10.527 20.312 -8.219 546 HG2 PRO 73 HG2 PRO 73 7.966 21.542 -8.757 547 HG3 PRO 73 HG1 PRO 73 8.719 21.185 -7.199 548 HD2 PRO 73 HD2 PRO 73 8.362 23.740 -8.354 549 HD3 PRO 73 HD1 PRO 73 9.344 23.355 -6.926 550 H THR 74 HN THR 74 9.757 23.666 -10.913 551 HA THR 74 HA THR 74 10.497 22.244 -13.323 552 HB THR 74 HB THR 74 8.971 24.825 -12.959 553 HG1 THR 74 HG1 THR 74 7.203 23.428 -13.348 554 HG21 THR 74 HG23 THR 74 8.150 24.161 -15.302 555 HG22 THR 74 HG21 THR 74 9.544 23.079 -15.356 556 HG23 THR 74 HG22 THR 74 9.783 24.819 -15.190 557 H SER 75 HN SER 75 10.794 25.679 -12.522 558 HA SER 75 HA SER 75 12.657 26.270 -14.503 559 HG SER 75 HG SER 75 11.529 28.019 -11.154 560 HB2 SER 75 HB2 SER 75 13.151 28.287 -13.175 561 HB3 SER 75 HB1 SER 75 11.416 27.986 -13.251 562 H ALA 76 HN ALA 76 13.112 25.069 -11.198 563 HA ALA 76 HA ALA 76 15.872 25.430 -10.978 564 HB1 ALA 76 HB3 ALA 76 14.116 23.217 -9.891 565 HB2 ALA 76 HB1 ALA 76 14.535 24.727 -9.080 566 HB3 ALA 76 HB2 ALA 76 15.780 23.514 -9.383 567 H VAL 77 HN VAL 77 14.208 22.414 -11.871 568 HA VAL 77 HA VAL 77 16.504 21.057 -12.744 569 HB VAL 77 HB VAL 77 13.603 20.728 -13.549 570 HG11 VAL 77 HG11 VAL 77 14.829 19.725 -15.326 571 HG12 VAL 77 HG12 VAL 77 14.426 18.395 -14.239 572 HG13 VAL 77 HG13 VAL 77 16.050 19.084 -14.227 573 HG21 VAL 77 HG23 VAL 77 15.320 18.992 -11.759 574 HG22 VAL 77 HG21 VAL 77 13.564 18.968 -11.932 575 HG23 VAL 77 HG22 VAL 77 14.353 20.329 -11.137 576 H ALA 78 HN ALA 78 14.100 22.925 -14.624 577 HA ALA 78 HA ALA 78 15.315 22.543 -17.135 578 HB1 ALA 78 HB3 ALA 78 13.893 24.278 -17.905 579 HB2 ALA 78 HB1 ALA 78 13.809 25.023 -16.308 580 HB3 ALA 78 HB2 ALA 78 12.997 23.487 -16.609 581 H ALA 79 HN ALA 79 15.752 25.025 -14.645 582 HA ALA 79 HA ALA 79 18.455 25.517 -15.266 583 HB1 ALA 79 HB3 ALA 79 17.792 26.559 -17.300 584 HB2 ALA 79 HB1 ALA 79 18.123 27.878 -16.177 585 HB3 ALA 79 HB2 ALA 79 16.458 27.406 -16.518 Start of MODEL 9 1 HA SER 1 HA SER 1 0.669 -26.436 14.590 2 HG SER 1 HG SER 1 4.412 -26.407 15.273 3 H1 SER 1 HT1 SER 1 1.844 -27.342 12.408 4 H2 SER 1 HT2 SER 1 1.096 -28.368 13.537 5 H3 SER 1 HT3 SER 1 2.781 -28.158 13.565 6 HB2 SER 1 HB2 SER 1 2.575 -25.908 16.186 7 HB3 SER 1 HB1 SER 1 2.061 -27.594 16.164 8 H GLU 2 HN GLU 2 0.348 -24.885 12.970 9 HA GLU 2 HA GLU 2 2.254 -22.731 12.946 10 HB2 GLU 2 HB2 GLU 2 3.232 -24.241 11.234 11 HB3 GLU 2 HB1 GLU 2 1.716 -24.169 10.338 12 HG2 GLU 2 HG2 GLU 2 1.948 -21.747 10.077 13 HG3 GLU 2 HG1 GLU 2 3.422 -21.764 11.044 14 H ALA 3 HN ALA 3 1.044 -20.952 13.011 15 HA ALA 3 HA ALA 3 -1.736 -20.927 12.584 16 HB1 ALA 3 HB3 ALA 3 -0.617 -19.344 14.090 17 HB2 ALA 3 HB1 ALA 3 -1.536 -18.485 12.854 18 HB3 ALA 3 HB2 ALA 3 0.217 -18.619 12.714 19 H GLU 4 HN GLU 4 -2.563 -21.297 10.659 20 HA GLU 4 HA GLU 4 -1.324 -20.661 8.182 21 HB2 GLU 4 HB2 GLU 4 -4.197 -21.354 8.844 22 HB3 GLU 4 HB1 GLU 4 -3.564 -21.208 7.205 23 HG2 GLU 4 HG2 GLU 4 -2.440 -23.091 9.296 24 HG3 GLU 4 HG1 GLU 4 -3.595 -23.569 8.053 25 H ASP 5 HN ASP 5 -3.110 -18.802 10.416 26 HA ASP 5 HA ASP 5 -4.366 -16.943 8.706 27 HB2 ASP 5 HB2 ASP 5 -4.878 -17.120 11.107 28 HB3 ASP 5 HB1 ASP 5 -3.267 -16.523 11.496 29 H ALA 6 HN ALA 6 -1.083 -17.112 10.008 30 HA ALA 6 HA ALA 6 -0.150 -14.590 9.431 31 HB1 ALA 6 HB3 ALA 6 1.510 -17.053 8.899 32 HB2 ALA 6 HB1 ALA 6 1.039 -16.616 10.541 33 HB3 ALA 6 HB2 ALA 6 2.019 -15.508 9.581 34 H SER 7 HN SER 7 0.125 -13.499 7.642 35 HA SER 7 HA SER 7 -0.562 -14.583 5.090 36 HG SER 7 HG SER 7 -1.929 -12.440 4.719 37 HB2 SER 7 HB2 SER 7 0.513 -11.900 5.981 38 HB3 SER 7 HB1 SER 7 0.196 -12.283 4.291 39 H LEU 8 HN LEU 8 0.996 -13.881 3.221 40 HA LEU 8 HA LEU 8 3.216 -15.593 3.247 41 HG LEU 8 HG LEU 8 0.796 -14.486 1.521 42 HB2 LEU 8 HB2 LEU 8 2.896 -13.181 1.448 43 HB3 LEU 8 HB1 LEU 8 3.794 -14.661 1.113 44 HD11 LEU 8 HD11 LEU 8 0.658 -14.966 -0.880 45 HD12 LEU 8 HD12 LEU 8 2.419 -14.992 -0.993 46 HD13 LEU 8 HD13 LEU 8 1.581 -13.489 -0.611 47 HD21 LEU 8 HD23 LEU 8 1.412 -16.653 2.222 48 HD22 LEU 8 HD21 LEU 8 2.714 -16.770 1.037 49 HD23 LEU 8 HD22 LEU 8 1.033 -16.887 0.518 50 H LEU 9 HN LEU 9 2.919 -12.871 5.053 51 HA LEU 9 HA LEU 9 5.562 -11.757 4.658 52 HG LEU 9 HG LEU 9 3.223 -9.061 5.321 53 HB2 LEU 9 HB2 LEU 9 3.224 -11.188 6.461 54 HB3 LEU 9 HB1 LEU 9 4.789 -10.432 6.747 55 HD11 LEU 9 HD11 LEU 9 5.526 -9.755 3.525 56 HD12 LEU 9 HD12 LEU 9 5.892 -9.168 5.148 57 HD13 LEU 9 HD13 LEU 9 4.937 -8.178 4.050 58 HD21 LEU 9 HD23 LEU 9 3.776 -11.107 3.156 59 HD22 LEU 9 HD21 LEU 9 2.640 -9.760 3.116 60 HD23 LEU 9 HD22 LEU 9 2.313 -11.153 4.144 61 H SER 10 HN SER 10 4.309 -14.419 6.189 62 HA SER 10 HA SER 10 5.709 -14.393 8.642 63 HG SER 10 HG SER 10 5.456 -17.768 6.918 64 HB2 SER 10 HB2 SER 10 5.282 -16.778 8.744 65 HB3 SER 10 HB1 SER 10 3.847 -15.942 8.151 66 H PHE 11 HN PHE 11 6.495 -16.421 5.856 67 HA PHE 11 HA PHE 11 8.962 -17.287 6.635 68 HD1 PHE 11 HD2 PHE 11 10.054 -19.246 5.343 69 HD2 PHE 11 HD1 PHE 11 10.143 -15.833 2.735 70 HE1 PHE 11 HE2 PHE 11 12.337 -19.870 4.602 71 HE2 PHE 11 HE1 PHE 11 12.427 -16.459 1.995 72 HZ PHE 11 HZ PHE 11 13.523 -18.477 2.929 73 HB2 PHE 11 HB2 PHE 11 7.930 -18.003 4.547 74 HB3 PHE 11 HB1 PHE 11 8.147 -16.392 3.864 75 H MET 12 HN MET 12 8.315 -14.253 4.862 76 HA MET 12 HA MET 12 10.982 -13.374 4.774 77 HB2 MET 12 HB2 MET 12 9.195 -12.384 3.409 78 HB3 MET 12 HB1 MET 12 8.461 -11.707 4.860 79 HG2 MET 12 HG2 MET 12 11.343 -11.097 4.227 80 HG3 MET 12 HG1 MET 12 10.055 -10.204 3.417 81 HE1 MET 12 HE3 MET 12 9.092 -7.881 4.639 82 HE2 MET 12 HE1 MET 12 8.097 -8.449 5.983 83 HE3 MET 12 HE2 MET 12 8.132 -9.348 4.468 84 H GLN 13 HN GLN 13 8.477 -11.884 6.800 85 HA GLN 13 HA GLN 13 9.856 -10.364 8.518 86 HB2 GLN 13 HB2 GLN 13 7.651 -12.312 9.161 87 HB3 GLN 13 HB1 GLN 13 8.312 -11.237 10.393 88 HG2 GLN 13 HG2 GLN 13 7.748 -9.287 9.048 89 HG3 GLN 13 HG1 GLN 13 7.189 -10.315 7.731 90 HE21 GLN 13 HE21 GLN 13 5.136 -8.886 8.282 91 HE22 GLN 13 HE22 GLN 13 4.069 -9.547 9.425 92 H GLY 14 HN GLY 14 9.529 -13.891 9.057 93 HA2 GLY 14 HA2 GLY 14 11.354 -13.963 11.234 94 HA3 GLY 14 HA1 GLY 14 10.801 -15.349 10.298 95 H TYR 15 HN TYR 15 11.715 -14.542 7.749 96 HA TYR 15 HA TYR 15 14.252 -15.585 7.633 97 HD1 TYR 15 HD2 TYR 15 14.608 -16.763 5.160 98 HD2 TYR 15 HD1 TYR 15 15.315 -12.531 5.063 99 HE1 TYR 15 HE2 TYR 15 16.684 -17.141 3.861 100 HE2 TYR 15 HE1 TYR 15 17.389 -12.903 3.762 101 HH TYR 15 HH TYR 15 19.042 -14.801 3.460 102 HB2 TYR 15 HB2 TYR 15 12.816 -15.087 5.642 103 HB3 TYR 15 HB1 TYR 15 13.233 -13.386 5.819 104 H MET 16 HN MET 16 13.682 -12.108 7.410 105 HA MET 16 HA MET 16 16.338 -11.355 7.714 106 HB2 MET 16 HB2 MET 16 13.792 -9.970 8.609 107 HB3 MET 16 HB1 MET 16 15.372 -9.191 8.621 108 HG2 MET 16 HG2 MET 16 15.572 -9.594 6.180 109 HG3 MET 16 HG1 MET 16 13.979 -10.350 6.185 110 HE1 MET 16 HE3 MET 16 14.481 -8.009 4.184 111 HE2 MET 16 HE1 MET 16 12.924 -7.205 4.407 112 HE3 MET 16 HE2 MET 16 13.026 -8.964 4.458 113 H LYS 17 HN LYS 17 13.975 -12.367 10.091 114 HA LYS 17 HA LYS 17 15.388 -11.461 12.384 115 HB2 LYS 17 HB2 LYS 17 12.948 -12.326 12.217 116 HB3 LYS 17 HB1 LYS 17 13.661 -13.924 12.417 117 HG2 LYS 17 HG2 LYS 17 14.685 -13.252 14.528 118 HG3 LYS 17 HG1 LYS 17 14.089 -11.604 14.319 119 HD2 LYS 17 HD2 LYS 17 11.776 -12.397 14.393 120 HD3 LYS 17 HD1 LYS 17 12.333 -14.066 14.518 121 HE2 LYS 17 HE2 LYS 17 11.759 -13.244 16.742 122 HE3 LYS 17 HE1 LYS 17 13.504 -13.483 16.637 123 HZ1 LYS 17 HZ3 LYS 17 13.863 -11.333 16.967 124 HZ2 LYS 17 HZ1 LYS 17 12.222 -11.181 17.371 125 HZ3 LYS 17 HZ2 LYS 17 12.736 -10.875 15.781 126 H HIS 18 HN HIS 18 15.400 -14.521 10.627 127 HA HIS 18 HA HIS 18 17.356 -15.737 12.360 128 HD1 HIS 18 HD1 HIS 18 17.464 -18.611 12.635 129 HD2 HIS 18 HD2 HIS 18 18.537 -17.862 8.678 130 HE1 HIS 18 HE1 HIS 18 19.329 -20.234 12.079 131 HB2 HIS 18 HB2 HIS 18 15.716 -17.145 11.256 132 HB3 HIS 18 HB1 HIS 18 16.251 -16.580 9.674 133 H ALA 19 HN ALA 19 17.386 -14.559 8.966 134 HA ALA 19 HA ALA 19 20.066 -15.103 8.448 135 HB1 ALA 19 HB3 ALA 19 19.871 -13.553 6.622 136 HB2 ALA 19 HB1 ALA 19 18.561 -12.690 7.430 137 HB3 ALA 19 HB2 ALA 19 18.294 -14.319 6.814 138 H THR 20 HN THR 20 18.698 -12.694 10.431 139 HA THR 20 HA THR 20 20.890 -10.866 10.435 140 HB THR 20 HB THR 20 18.709 -11.425 12.464 141 HG1 THR 20 HG1 THR 20 17.664 -10.176 11.172 142 HG21 THR 20 HG23 THR 20 20.441 -10.504 13.784 143 HG22 THR 20 HG21 THR 20 19.441 -9.120 13.347 144 HG23 THR 20 HG22 THR 20 20.956 -9.415 12.496 145 H LYS 21 HN LYS 21 20.428 -13.983 11.732 146 HA LYS 21 HA LYS 21 22.239 -13.803 13.942 147 HB2 LYS 21 HB2 LYS 21 20.513 -15.577 13.746 148 HB3 LYS 21 HB1 LYS 21 21.430 -16.278 12.413 149 HG2 LYS 21 HG2 LYS 21 23.379 -16.571 13.894 150 HG3 LYS 21 HG1 LYS 21 22.479 -15.846 15.227 151 HD2 LYS 21 HD2 LYS 21 20.798 -17.645 15.075 152 HD3 LYS 21 HD1 LYS 21 21.709 -18.381 13.756 153 HE2 LYS 21 HE2 LYS 21 23.661 -18.635 15.264 154 HE3 LYS 21 HE1 LYS 21 22.715 -17.943 16.582 155 HZ1 LYS 21 HZ3 LYS 21 22.852 -20.552 16.075 156 HZ2 LYS 21 HZ1 LYS 21 21.474 -20.150 15.170 157 HZ3 LYS 21 HZ2 LYS 21 21.526 -19.813 16.834 158 H THR 22 HN THR 22 22.549 -14.594 10.542 159 HA THR 22 HA THR 22 25.145 -15.675 10.579 160 HB THR 22 HB THR 22 23.937 -14.026 8.350 161 HG1 THR 22 HG1 THR 22 23.322 -16.498 9.402 162 HG21 THR 22 HG23 THR 22 25.300 -15.667 6.978 163 HG22 THR 22 HG21 THR 22 26.055 -16.182 8.485 164 HG23 THR 22 HG22 THR 22 26.250 -14.522 7.924 165 H ALA 23 HN ALA 23 24.148 -12.510 11.234 166 HA ALA 23 HA ALA 23 26.075 -10.845 10.242 167 HB1 ALA 23 HB3 ALA 23 25.547 -9.361 12.013 168 HB2 ALA 23 HB1 ALA 23 25.120 -10.682 13.101 169 HB3 ALA 23 HB2 ALA 23 24.072 -10.283 11.740 170 H LYS 24 HN LYS 24 26.239 -12.721 13.290 171 HA LYS 24 HA LYS 24 28.769 -11.981 14.125 172 HB2 LYS 24 HB2 LYS 24 27.376 -14.665 14.294 173 HB3 LYS 24 HB1 LYS 24 28.830 -14.252 15.205 174 HG2 LYS 24 HG2 LYS 24 27.648 -12.373 16.267 175 HG3 LYS 24 HG1 LYS 24 26.202 -12.740 15.328 176 HD2 LYS 24 HD2 LYS 24 26.101 -14.981 16.384 177 HD3 LYS 24 HD1 LYS 24 27.511 -14.572 17.359 178 HE2 LYS 24 HE2 LYS 24 24.917 -13.002 17.373 179 HE3 LYS 24 HE1 LYS 24 25.344 -14.225 18.570 180 HZ1 LYS 24 HZ3 LYS 24 25.932 -12.069 19.394 181 HZ2 LYS 24 HZ1 LYS 24 26.825 -11.718 17.994 182 HZ3 LYS 24 HZ2 LYS 24 27.360 -12.928 19.059 183 H ASP 25 HN ASP 25 28.283 -15.120 12.687 184 HA ASP 25 HA ASP 25 30.802 -15.777 11.936 185 HB2 ASP 25 HB2 ASP 25 28.233 -16.332 10.437 186 HB3 ASP 25 HB1 ASP 25 29.773 -17.063 9.996 187 H ALA 26 HN ALA 26 28.533 -13.727 10.158 188 HA ALA 26 HA ALA 26 30.237 -13.257 7.924 189 HB1 ALA 26 HB3 ALA 26 27.887 -11.721 9.049 190 HB2 ALA 26 HB1 ALA 26 27.877 -12.844 7.690 191 HB3 ALA 26 HB2 ALA 26 28.704 -11.293 7.546 192 H LEU 27 HN LEU 27 29.632 -11.581 10.997 193 HA LEU 27 HA LEU 27 31.222 -9.307 10.476 194 HG LEU 27 HG LEU 27 28.941 -9.042 11.467 195 HB2 LEU 27 HB2 LEU 27 30.353 -10.677 12.999 196 HB3 LEU 27 HB1 LEU 27 31.471 -9.326 13.083 197 HD11 LEU 27 HD11 LEU 27 29.186 -8.961 14.479 198 HD12 LEU 27 HD12 LEU 27 27.995 -9.817 13.502 199 HD13 LEU 27 HD13 LEU 27 27.929 -8.060 13.628 200 HD21 LEU 27 HD23 LEU 27 29.188 -6.672 12.250 201 HD22 LEU 27 HD21 LEU 27 30.594 -7.237 11.350 202 HD23 LEU 27 HD22 LEU 27 30.656 -7.139 13.109 203 H SER 28 HN SER 28 32.086 -12.396 11.883 204 HA SER 28 HA SER 28 34.758 -11.786 12.502 205 HG SER 28 HG SER 28 32.509 -14.473 11.474 206 HB2 SER 28 HB2 SER 28 35.123 -14.209 12.492 207 HB3 SER 28 HB1 SER 28 33.592 -13.822 13.278 208 H SER 29 HN SER 29 33.134 -12.474 9.587 209 HA SER 29 HA SER 29 35.507 -13.081 8.014 210 HG SER 29 HG SER 29 33.245 -11.335 6.083 211 HB2 SER 29 HB2 SER 29 34.126 -13.365 6.172 212 HB3 SER 29 HB1 SER 29 33.055 -13.783 7.510 213 H VAL 30 HN VAL 30 34.561 -10.232 9.320 214 HA VAL 30 HA VAL 30 34.683 -8.321 7.307 215 HB VAL 30 HB VAL 30 35.568 -6.797 9.081 216 HG11 VAL 30 HG11 VAL 30 33.076 -8.437 9.215 217 HG12 VAL 30 HG12 VAL 30 33.275 -6.692 9.118 218 HG13 VAL 30 HG13 VAL 30 33.464 -7.508 10.666 219 HG21 VAL 30 HG23 VAL 30 35.445 -7.993 11.448 220 HG22 VAL 30 HG21 VAL 30 36.931 -8.063 10.503 221 HG23 VAL 30 HG22 VAL 30 35.837 -9.439 10.523 222 H GLN 31 HN GLN 31 37.020 -10.558 7.791 223 HA GLN 31 HA GLN 31 39.503 -9.405 7.833 224 HB2 GLN 31 HB2 GLN 31 38.511 -11.576 5.952 225 HB3 GLN 31 HB1 GLN 31 40.210 -11.242 6.277 226 HG2 GLN 31 HG2 GLN 31 38.194 -11.977 8.421 227 HG3 GLN 31 HG1 GLN 31 39.258 -13.141 7.633 228 HE21 GLN 31 HE21 GLN 31 41.527 -13.093 8.166 229 HE22 GLN 31 HE22 GLN 31 42.129 -12.152 9.445 230 H GLU 32 HN GLU 32 37.057 -8.805 5.540 231 HA GLU 32 HA GLU 32 38.750 -7.946 3.400 232 HB2 GLU 32 HB2 GLU 32 35.851 -7.401 4.070 233 HB3 GLU 32 HB1 GLU 32 36.638 -6.806 2.609 234 HG2 GLU 32 HG2 GLU 32 37.160 -9.095 1.921 235 HG3 GLU 32 HG1 GLU 32 36.462 -9.724 3.413 236 H SER 33 HN SER 33 38.291 -6.797 6.468 237 HA SER 33 HA SER 33 37.997 -4.030 6.180 238 HG SER 33 HG SER 33 38.274 -2.984 8.271 239 HB2 SER 33 HB2 SER 33 37.927 -5.241 8.361 240 HB3 SER 33 HB1 SER 33 39.671 -5.467 8.254 241 H GLN 34 HN GLN 34 40.500 -6.118 5.245 242 HA GLN 34 HA GLN 34 42.809 -4.612 5.516 243 HB2 GLN 34 HB2 GLN 34 41.917 -6.331 3.207 244 HB3 GLN 34 HB1 GLN 34 43.525 -5.608 3.297 245 HG2 GLN 34 HG2 GLN 34 43.914 -6.705 5.454 246 HG3 GLN 34 HG1 GLN 34 42.302 -7.415 5.394 247 HE21 GLN 34 HE21 GLN 34 45.498 -8.130 4.771 248 HE22 GLN 34 HE22 GLN 34 45.280 -9.351 3.613 249 H VAL 35 HN VAL 35 39.998 -3.677 3.880 250 HA VAL 35 HA VAL 35 40.627 -2.238 1.692 251 HB VAL 35 HB VAL 35 38.412 -2.312 3.036 252 HG11 VAL 35 HG11 VAL 35 39.345 0.350 4.114 253 HG12 VAL 35 HG12 VAL 35 39.616 -1.128 5.030 254 HG13 VAL 35 HG13 VAL 35 37.974 -0.634 4.630 255 HG21 VAL 35 HG23 VAL 35 38.631 -1.143 0.889 256 HG22 VAL 35 HG21 VAL 35 39.330 0.258 1.702 257 HG23 VAL 35 HG22 VAL 35 37.648 -0.183 1.994 258 H ALA 36 HN ALA 36 42.029 -1.753 4.769 259 HA ALA 36 HA ALA 36 42.727 0.947 4.824 260 HB1 ALA 36 HB3 ALA 36 44.475 -1.420 5.559 261 HB2 ALA 36 HB1 ALA 36 43.246 -0.716 6.608 262 HB3 ALA 36 HB2 ALA 36 44.663 0.231 6.151 263 H GLN 37 HN GLN 37 44.859 -1.646 3.650 264 HA GLN 37 HA GLN 37 46.783 -0.231 2.357 265 HB2 GLN 37 HB2 GLN 37 46.738 -2.698 2.368 266 HB3 GLN 37 HB1 GLN 37 45.433 -2.680 1.181 267 HG2 GLN 37 HG2 GLN 37 46.856 -1.628 -0.467 268 HG3 GLN 37 HG1 GLN 37 48.142 -1.402 0.719 269 HE21 GLN 37 HE21 GLN 37 48.552 -2.890 -1.712 270 HE22 GLN 37 HE22 GLN 37 48.825 -4.511 -1.290 271 H GLN 38 HN GLN 38 43.544 -0.932 1.062 272 HA GLN 38 HA GLN 38 43.897 0.349 -1.421 273 HB2 GLN 38 HB2 GLN 38 42.005 -1.222 -0.626 274 HB3 GLN 38 HB1 GLN 38 41.289 0.214 0.095 275 HG2 GLN 38 HG2 GLN 38 40.317 -0.029 -2.064 276 HG3 GLN 38 HG1 GLN 38 41.449 1.321 -2.159 277 HE21 GLN 38 HE21 GLN 38 42.342 1.188 -4.217 278 HE22 GLN 38 HE22 GLN 38 43.007 -0.220 -4.891 279 H ALA 39 HN ALA 39 41.986 1.514 1.339 280 HA ALA 39 HA ALA 39 41.548 4.114 0.602 281 HB1 ALA 39 HB3 ALA 39 41.608 4.723 3.036 282 HB2 ALA 39 HB1 ALA 39 42.269 3.123 3.373 283 HB3 ALA 39 HB2 ALA 39 40.649 3.282 2.696 284 H ARG 40 HN ARG 40 44.374 3.074 2.512 285 HA ARG 40 HA ARG 40 45.727 5.536 2.355 286 HE ARG 40 HE ARG 40 49.424 3.460 3.863 287 HB2 ARG 40 HB2 ARG 40 47.428 4.472 3.517 288 HB3 ARG 40 HB1 ARG 40 46.169 3.262 3.748 289 HG2 ARG 40 HG2 ARG 40 47.003 2.162 1.612 290 HG3 ARG 40 HG1 ARG 40 48.388 3.233 1.685 291 HD2 ARG 40 HD2 ARG 40 47.581 1.355 3.912 292 HD3 ARG 40 HD1 ARG 40 48.792 0.984 2.687 293 HH11 ARG 40 HH21 ARG 40 49.276 0.074 4.499 294 HH12 ARG 40 HH22 ARG 40 50.511 0.106 5.713 295 HH21 ARG 40 HH11 ARG 40 51.021 3.529 5.460 296 HH22 ARG 40 HH12 ARG 40 51.502 2.071 6.259 297 H GLY 41 HN GLY 41 44.940 3.545 0.035 298 HA2 GLY 41 HA2 GLY 41 47.258 3.775 -1.730 299 HA3 GLY 41 HA1 GLY 41 45.689 3.115 -2.192 300 H TRP 42 HN TRP 42 43.913 4.873 -1.994 301 HA TRP 42 HA TRP 42 44.084 6.610 -4.089 302 HD1 TRP 42 HD1 TRP 42 41.407 4.594 -1.661 303 HE1 TRP 42 HE1 TRP 42 39.918 3.398 -3.387 304 HE3 TRP 42 HE3 TRP 42 41.886 7.800 -5.604 305 HZ2 TRP 42 HZ2 TRP 42 39.043 3.752 -6.084 306 HZ3 TRP 42 HZ3 TRP 42 40.712 7.347 -7.738 307 HH2 TRP 42 HH2 TRP 42 39.292 5.328 -7.984 308 HB2 TRP 42 HB2 TRP 42 42.505 6.926 -1.532 309 HB3 TRP 42 HB1 TRP 42 42.317 8.011 -2.908 310 H VAL 43 HN VAL 43 45.744 6.910 -1.173 311 HA VAL 43 HA VAL 43 46.038 9.693 -0.894 312 HB VAL 43 HB VAL 43 46.770 7.837 0.714 313 HG11 VAL 43 HG11 VAL 43 49.350 7.971 -0.861 314 HG12 VAL 43 HG12 VAL 43 48.183 6.671 -1.071 315 HG13 VAL 43 HG13 VAL 43 48.965 6.919 0.491 316 HG21 VAL 43 HG23 VAL 43 47.245 10.210 1.093 317 HG22 VAL 43 HG21 VAL 43 48.680 10.098 0.073 318 HG23 VAL 43 HG22 VAL 43 48.613 9.220 1.603 319 H THR 44 HN THR 44 48.025 7.349 -2.569 320 HA THR 44 HA THR 44 49.927 9.098 -3.659 321 HB THR 44 HB THR 44 48.954 6.603 -5.066 322 HG1 THR 44 HG1 THR 44 49.913 5.469 -3.582 323 HG21 THR 44 HG23 THR 44 51.254 6.523 -5.895 324 HG22 THR 44 HG21 THR 44 51.672 7.943 -4.938 325 HG23 THR 44 HG22 THR 44 50.542 8.089 -6.284 326 H ASP 45 HN ASP 45 46.775 8.099 -4.835 327 HA ASP 45 HA ASP 45 46.971 9.545 -7.309 328 HB2 ASP 45 HB2 ASP 45 45.471 7.536 -6.837 329 HB3 ASP 45 HB1 ASP 45 44.435 8.645 -5.939 330 H GLY 46 HN GLY 46 47.217 10.830 -4.450 331 HA2 GLY 46 HA2 GLY 46 46.723 12.899 -3.527 332 HA3 GLY 46 HA1 GLY 46 46.333 13.398 -5.169 333 H PHE 47 HN PHE 47 44.846 11.158 -2.792 334 HA PHE 47 HA PHE 47 42.204 11.471 -3.589 335 HD1 PHE 47 HD2 PHE 47 45.047 11.752 -0.872 336 HD2 PHE 47 HD1 PHE 47 41.066 11.045 0.576 337 HE1 PHE 47 HE2 PHE 47 45.666 12.751 1.308 338 HE2 PHE 47 HE1 PHE 47 41.681 12.064 2.753 339 HZ PHE 47 HZ PHE 47 43.982 12.913 3.120 340 HB2 PHE 47 HB2 PHE 47 41.620 10.391 -1.605 341 HB3 PHE 47 HB1 PHE 47 43.287 9.875 -1.829 342 H SER 48 HN SER 48 44.261 13.720 -2.000 343 HA SER 48 HA SER 48 42.641 15.234 -0.403 344 HG SER 48 HG SER 48 45.598 14.908 -0.819 345 HB2 SER 48 HB2 SER 48 44.717 16.176 -2.385 346 HB3 SER 48 HB1 SER 48 43.983 17.213 -1.164 347 H SER 49 HN SER 49 42.453 14.875 -3.866 348 HA SER 49 HA SER 49 41.122 17.145 -4.653 349 HG SER 49 HG SER 49 40.261 16.687 -6.993 350 HB2 SER 49 HB2 SER 49 41.801 15.344 -6.187 351 HB3 SER 49 HB1 SER 49 40.562 14.292 -5.507 352 H LEU 50 HN LEU 50 40.116 14.980 -2.249 353 HA LEU 50 HA LEU 50 37.264 15.306 -2.675 354 HG LEU 50 HG LEU 50 38.869 12.884 -2.473 355 HB2 LEU 50 HB2 LEU 50 38.861 14.210 -0.349 356 HB3 LEU 50 HB1 LEU 50 37.100 14.236 -0.413 357 HD11 LEU 50 HD11 LEU 50 38.944 11.872 -0.155 358 HD12 LEU 50 HD12 LEU 50 38.346 10.792 -1.413 359 HD13 LEU 50 HD13 LEU 50 37.213 11.565 -0.306 360 HD21 LEU 50 HD23 LEU 50 36.848 13.249 -3.596 361 HD22 LEU 50 HD21 LEU 50 35.890 13.178 -2.115 362 HD23 LEU 50 HD22 LEU 50 36.516 11.696 -2.838 363 H LYS 51 HN LYS 51 39.869 16.826 -0.925 364 HA LYS 51 HA LYS 51 38.398 18.306 0.951 365 HB2 LYS 51 HB2 LYS 51 40.954 18.039 0.728 366 HB3 LYS 51 HB1 LYS 51 40.862 19.356 -0.438 367 HG2 LYS 51 HG2 LYS 51 41.241 20.547 1.531 368 HG3 LYS 51 HG1 LYS 51 39.481 20.559 1.478 369 HD2 LYS 51 HD2 LYS 51 39.405 18.631 3.004 370 HD3 LYS 51 HD1 LYS 51 41.165 18.557 3.016 371 HE2 LYS 51 HE2 LYS 51 41.262 20.814 3.992 372 HE3 LYS 51 HE1 LYS 51 39.500 20.905 3.965 373 HZ1 LYS 51 HZ3 LYS 51 39.784 20.125 6.055 374 HZ2 LYS 51 HZ1 LYS 51 41.254 19.351 5.703 375 HZ3 LYS 51 HZ2 LYS 51 39.786 18.632 5.244 376 H ASP 52 HN ASP 52 39.376 19.090 -2.343 377 HA ASP 52 HA ASP 52 38.304 21.684 -2.472 378 HB2 ASP 52 HB2 ASP 52 38.643 19.618 -4.656 379 HB3 ASP 52 HB1 ASP 52 38.209 21.301 -4.945 380 H TYR 53 HN TYR 53 36.854 18.732 -3.840 381 HA TYR 53 HA TYR 53 34.328 19.835 -4.288 382 HD1 TYR 53 HD2 TYR 53 33.151 18.791 -6.342 383 HD2 TYR 53 HD1 TYR 53 32.794 16.121 -2.995 384 HE1 TYR 53 HE2 TYR 53 30.760 18.427 -6.888 385 HE2 TYR 53 HE1 TYR 53 30.402 15.756 -3.544 386 HH TYR 53 HH TYR 53 28.749 16.211 -4.948 387 HB2 TYR 53 HB2 TYR 53 35.170 17.659 -5.221 388 HB3 TYR 53 HB1 TYR 53 34.927 16.941 -3.629 389 H TRP 54 HN TRP 54 35.589 18.067 -1.452 390 HA TRP 54 HA TRP 54 33.149 18.056 -0.016 391 HD1 TRP 54 HD1 TRP 54 32.415 16.836 1.852 392 HE1 TRP 54 HE1 TRP 54 32.100 17.005 4.404 393 HE3 TRP 54 HE3 TRP 54 37.041 18.534 3.200 394 HZ2 TRP 54 HZ2 TRP 54 33.612 17.758 6.712 395 HZ3 TRP 54 HZ3 TRP 54 37.575 18.967 5.582 396 HH2 TRP 54 HH2 TRP 54 35.867 18.580 7.338 397 HB2 TRP 54 HB2 TRP 54 35.070 16.611 0.547 398 HB3 TRP 54 HB1 TRP 54 35.994 18.038 1.017 399 H SER 55 HN SER 55 36.035 20.120 0.373 400 HA SER 55 HA SER 55 35.104 21.878 2.272 401 HG SER 55 HG SER 55 36.033 24.389 1.030 402 HB2 SER 55 HB2 SER 55 37.405 21.940 1.412 403 HB3 SER 55 HB1 SER 55 36.820 22.583 -0.122 404 H THR 56 HN THR 56 34.344 21.771 -1.136 405 HA THR 56 HA THR 56 32.942 24.309 -1.130 406 HB THR 56 HB THR 56 32.113 23.437 -3.398 407 HG1 THR 56 HG1 THR 56 32.829 21.547 -4.045 408 HG21 THR 56 HG23 THR 56 35.026 23.798 -2.697 409 HG22 THR 56 HG21 THR 56 33.912 24.992 -3.362 410 HG23 THR 56 HG22 THR 56 34.471 23.653 -4.364 411 H VAL 57 HN VAL 57 31.611 21.163 -2.120 412 HA VAL 57 HA VAL 57 28.975 21.557 -1.814 413 HB VAL 57 HB VAL 57 30.513 19.112 -0.914 414 HG11 VAL 57 HG11 VAL 57 27.546 19.577 -1.278 415 HG12 VAL 57 HG12 VAL 57 28.380 18.928 0.134 416 HG13 VAL 57 HG13 VAL 57 28.264 17.966 -1.338 417 HG21 VAL 57 HG23 VAL 57 29.509 18.297 -3.165 418 HG22 VAL 57 HG21 VAL 57 30.880 19.401 -3.231 419 HG23 VAL 57 HG22 VAL 57 29.246 20.002 -3.510 420 H LYS 58 HN LYS 58 30.846 20.189 0.909 421 HA LYS 58 HA LYS 58 29.003 20.334 2.905 422 HB2 LYS 58 HB2 LYS 58 31.292 19.481 3.211 423 HB3 LYS 58 HB1 LYS 58 31.913 21.131 3.142 424 HG2 LYS 58 HG2 LYS 58 30.642 21.738 5.137 425 HG3 LYS 58 HG1 LYS 58 29.897 20.141 5.179 426 HD2 LYS 58 HD2 LYS 58 32.083 19.105 5.527 427 HD3 LYS 58 HD1 LYS 58 32.869 20.681 5.430 428 HE2 LYS 58 HE2 LYS 58 32.568 20.049 7.778 429 HE3 LYS 58 HE1 LYS 58 31.541 21.430 7.396 430 HZ1 LYS 58 HZ3 LYS 58 30.537 18.659 7.191 431 HZ2 LYS 58 HZ1 LYS 58 29.650 20.100 7.321 432 HZ3 LYS 58 HZ2 LYS 58 30.503 19.504 8.663 433 H ASP 59 HN ASP 59 31.334 22.979 2.290 434 HA ASP 59 HA ASP 59 30.054 24.853 3.941 435 HB2 ASP 59 HB2 ASP 59 31.849 25.191 1.534 436 HB3 ASP 59 HB1 ASP 59 31.302 26.549 2.517 437 H LYS 60 HN LYS 60 29.753 24.316 0.423 438 HA LYS 60 HA LYS 60 27.879 26.379 -0.004 439 HB2 LYS 60 HB2 LYS 60 28.397 23.814 -1.538 440 HB3 LYS 60 HB1 LYS 60 27.500 25.193 -2.163 441 HG2 LYS 60 HG2 LYS 60 30.318 25.557 -1.144 442 HG3 LYS 60 HG1 LYS 60 30.043 24.933 -2.768 443 HD2 LYS 60 HD2 LYS 60 28.671 26.920 -3.290 444 HD3 LYS 60 HD1 LYS 60 28.981 27.551 -1.674 445 HE2 LYS 60 HE2 LYS 60 30.543 28.593 -3.208 446 HE3 LYS 60 HE1 LYS 60 31.440 27.473 -2.181 447 HZ1 LYS 60 HZ3 LYS 60 31.972 26.216 -3.920 448 HZ2 LYS 60 HZ1 LYS 60 31.450 27.500 -4.901 449 HZ3 LYS 60 HZ2 LYS 60 30.389 26.226 -4.534 450 H PHE 61 HN PHE 61 27.546 23.485 1.639 451 HA PHE 61 HA PHE 61 24.919 22.743 0.885 452 HD1 PHE 61 HD1 PHE 61 24.685 20.225 0.944 453 HD2 PHE 61 HD2 PHE 61 24.229 21.827 4.904 454 HE1 PHE 61 HE1 PHE 61 22.684 18.804 1.289 455 HE2 PHE 61 HE2 PHE 61 22.227 20.404 5.249 456 HZ PHE 61 HZ PHE 61 21.454 18.894 3.440 457 HB2 PHE 61 HB2 PHE 61 26.596 21.385 2.256 458 HB3 PHE 61 HB1 PHE 61 26.132 22.385 3.631 459 H SER 62 HN SER 62 26.230 25.316 2.755 460 HA SER 62 HA SER 62 23.884 25.841 4.346 461 HG SER 62 HG SER 62 25.432 28.502 5.813 462 HB2 SER 62 HB2 SER 62 26.293 26.617 4.805 463 HB3 SER 62 HB1 SER 62 25.950 27.915 3.663 464 H GLU 63 HN GLU 63 25.274 27.387 1.467 465 HA GLU 63 HA GLU 63 23.010 29.120 1.087 466 HB2 GLU 63 HB2 GLU 63 25.364 28.444 -0.680 467 HB3 GLU 63 HB1 GLU 63 24.137 29.646 -1.083 468 HG2 GLU 63 HG2 GLU 63 24.660 30.903 0.954 469 HG3 GLU 63 HG1 GLU 63 25.846 29.686 1.418 470 H PHE 64 HN PHE 64 24.039 26.007 -0.204 471 HA PHE 64 HA PHE 64 22.404 25.830 -2.440 472 HD1 PHE 64 HD2 PHE 64 22.887 23.998 -4.191 473 HD2 PHE 64 HD1 PHE 64 21.551 21.988 -0.638 474 HE1 PHE 64 HE2 PHE 64 21.546 22.438 -5.577 475 HE2 PHE 64 HE1 PHE 64 20.211 20.427 -2.024 476 HZ PHE 64 HZ PHE 64 20.208 20.653 -4.493 477 HB2 PHE 64 HB2 PHE 64 24.106 24.158 -1.913 478 HB3 PHE 64 HB1 PHE 64 23.206 23.664 -0.481 479 H TRP 65 HN TRP 65 21.430 26.309 0.728 480 HA TRP 65 HA TRP 65 18.994 24.741 0.642 481 HD1 TRP 65 HD1 TRP 65 17.618 27.874 3.419 482 HE1 TRP 65 HE1 TRP 65 15.425 26.822 4.274 483 HE3 TRP 65 HE3 TRP 65 18.515 22.967 2.330 484 HZ2 TRP 65 HZ2 TRP 65 14.213 24.239 4.467 485 HZ3 TRP 65 HZ3 TRP 65 16.826 21.233 2.858 486 HH2 TRP 65 HH2 TRP 65 14.677 21.863 3.925 487 HB2 TRP 65 HB2 TRP 65 20.138 25.279 2.771 488 HB3 TRP 65 HB1 TRP 65 19.812 26.990 2.497 489 H ASP 66 HN ASP 66 19.780 28.223 0.519 490 HA ASP 66 HA ASP 66 17.072 28.907 -0.393 491 HB2 ASP 66 HB2 ASP 66 19.534 30.552 0.243 492 HB3 ASP 66 HB1 ASP 66 18.053 31.250 -0.405 493 H LEU 67 HN LEU 67 16.578 28.636 -2.406 494 HA LEU 67 HA LEU 67 18.593 28.743 -4.511 495 HG LEU 67 HG LEU 67 16.652 25.742 -5.126 496 HB2 LEU 67 HB2 LEU 67 15.721 27.847 -4.391 497 HB3 LEU 67 HB1 LEU 67 16.520 28.122 -5.937 498 HD11 LEU 67 HD11 LEU 67 19.499 26.661 -5.100 499 HD12 LEU 67 HD12 LEU 67 18.538 27.118 -6.504 500 HD13 LEU 67 HD13 LEU 67 18.720 25.418 -6.081 501 HD21 LEU 67 HD23 LEU 67 18.603 26.791 -3.064 502 HD22 LEU 67 HD21 LEU 67 17.916 25.170 -3.192 503 HD23 LEU 67 HD22 LEU 67 16.901 26.520 -2.687 504 H ASP 68 HN ASP 68 17.355 29.686 -6.638 505 HA ASP 68 HA ASP 68 17.649 32.436 -6.446 506 HB2 ASP 68 HB2 ASP 68 15.902 31.974 -8.635 507 HB3 ASP 68 HB1 ASP 68 17.660 32.053 -8.697 508 HA PRO 69 HA PRO 69 14.068 34.360 -4.868 509 HB2 PRO 69 HB2 PRO 69 12.994 35.516 -7.306 510 HB3 PRO 69 HB1 PRO 69 13.927 36.321 -6.036 511 HG2 PRO 69 HG2 PRO 69 14.829 35.287 -8.643 512 HG3 PRO 69 HG1 PRO 69 15.571 36.513 -7.599 513 HD2 PRO 69 HD2 PRO 69 16.652 34.041 -7.908 514 HD3 PRO 69 HD1 PRO 69 16.787 34.948 -6.397 515 H GLU 70 HN GLU 70 13.834 32.085 -7.420 516 HA GLU 70 HA GLU 70 11.016 31.496 -6.674 517 HB2 GLU 70 HB2 GLU 70 10.923 30.571 -9.104 518 HB3 GLU 70 HB1 GLU 70 10.791 32.312 -8.863 519 HG2 GLU 70 HG2 GLU 70 13.158 32.607 -9.377 520 HG3 GLU 70 HG1 GLU 70 13.377 30.865 -9.514 521 H VAL 71 HN VAL 71 11.170 29.757 -5.417 522 HA VAL 71 HA VAL 71 13.109 27.640 -6.071 523 HB VAL 71 HB VAL 71 13.007 28.388 -3.739 524 HG11 VAL 71 HG11 VAL 71 10.344 28.832 -4.093 525 HG12 VAL 71 HG12 VAL 71 11.067 28.612 -2.503 526 HG13 VAL 71 HG13 VAL 71 10.266 27.260 -3.293 527 HG21 VAL 71 HG23 VAL 71 11.730 25.651 -4.002 528 HG22 VAL 71 HG21 VAL 71 12.815 26.209 -2.729 529 HG23 VAL 71 HG22 VAL 71 13.425 25.974 -4.367 530 H ARG 72 HN ARG 72 12.104 26.798 -7.901 531 HA ARG 72 HA ARG 72 9.629 25.307 -7.312 532 HE ARG 72 HE ARG 72 5.868 28.535 -9.207 533 HB2 ARG 72 HB2 ARG 72 10.293 26.774 -9.854 534 HB3 ARG 72 HB1 ARG 72 9.019 25.559 -9.728 535 HG2 ARG 72 HG2 ARG 72 7.960 26.845 -7.911 536 HG3 ARG 72 HG1 ARG 72 9.213 28.077 -8.054 537 HD2 ARG 72 HD2 ARG 72 8.523 28.621 -10.294 538 HD3 ARG 72 HD1 ARG 72 7.423 27.246 -10.345 539 HH11 ARG 72 HH21 ARG 72 9.031 29.911 -8.975 540 HH12 ARG 72 HH22 ARG 72 8.506 31.321 -8.119 541 HH21 ARG 72 HH11 ARG 72 5.175 30.357 -8.039 542 HH22 ARG 72 HH12 ARG 72 6.322 31.575 -7.589 543 HA PRO 73 HA PRO 73 11.906 21.801 -8.821 544 HB2 PRO 73 HB2 PRO 73 9.565 20.368 -9.758 545 HB3 PRO 73 HB1 PRO 73 10.456 20.125 -8.247 546 HG2 PRO 73 HG2 PRO 73 7.875 21.148 -8.460 547 HG3 PRO 73 HG1 PRO 73 8.928 21.287 -7.043 548 HD2 PRO 73 HD2 PRO 73 8.277 23.335 -9.115 549 HD3 PRO 73 HD1 PRO 73 8.704 23.533 -7.407 550 H THR 74 HN THR 74 9.769 23.612 -10.860 551 HA THR 74 HA THR 74 10.454 22.211 -13.305 552 HB THR 74 HB THR 74 9.031 24.857 -13.026 553 HG1 THR 74 HG1 THR 74 7.653 23.626 -12.002 554 HG21 THR 74 HG23 THR 74 9.747 24.362 -15.294 555 HG22 THR 74 HG21 THR 74 8.007 24.098 -15.181 556 HG23 THR 74 HG22 THR 74 9.110 22.722 -15.173 557 H SER 75 HN SER 75 10.747 25.630 -12.460 558 HA SER 75 HA SER 75 12.587 26.280 -14.439 559 HG SER 75 HG SER 75 10.424 28.006 -12.480 560 HB2 SER 75 HB2 SER 75 12.297 27.523 -11.692 561 HB3 SER 75 HB1 SER 75 13.088 28.267 -13.081 562 H ALA 76 HN ALA 76 13.097 25.057 -11.150 563 HA ALA 76 HA ALA 76 15.862 25.409 -10.973 564 HB1 ALA 76 HB3 ALA 76 14.089 23.236 -9.848 565 HB2 ALA 76 HB1 ALA 76 14.590 24.723 -9.045 566 HB3 ALA 76 HB2 ALA 76 15.777 23.464 -9.390 567 H VAL 77 HN VAL 77 14.213 22.359 -11.805 568 HA VAL 77 HA VAL 77 16.514 21.029 -12.696 569 HB VAL 77 HB VAL 77 13.619 20.638 -13.487 570 HG11 VAL 77 HG11 VAL 77 16.096 18.997 -14.046 571 HG12 VAL 77 HG12 VAL 77 14.888 19.576 -15.195 572 HG13 VAL 77 HG13 VAL 77 14.479 18.290 -14.060 573 HG21 VAL 77 HG23 VAL 77 13.732 18.785 -11.856 574 HG22 VAL 77 HG21 VAL 77 14.092 20.331 -11.089 575 HG23 VAL 77 HG22 VAL 77 15.401 19.216 -11.483 576 H ALA 78 HN ALA 78 14.057 22.843 -14.559 577 HA ALA 78 HA ALA 78 15.220 22.437 -17.091 578 HB1 ALA 78 HB3 ALA 78 13.448 24.602 -15.965 579 HB2 ALA 78 HB1 ALA 78 12.990 23.256 -17.006 580 HB3 ALA 78 HB2 ALA 78 13.956 24.583 -17.653 581 H ALA 79 HN ALA 79 15.677 24.976 -14.652 582 HA ALA 79 HA ALA 79 18.368 25.469 -15.318 583 HB1 ALA 79 HB3 ALA 79 16.340 27.248 -16.665 584 HB2 ALA 79 HB1 ALA 79 17.742 26.448 -17.373 585 HB3 ALA 79 HB2 ALA 79 17.965 27.824 -16.294 Start of MODEL 10 1 HA SER 1 HA SER 1 4.134 -25.992 12.553 2 HG SER 1 HG SER 1 3.845 -27.855 14.358 3 H1 SER 1 HT1 SER 1 5.448 -25.113 14.958 4 H2 SER 1 HT2 SER 1 5.984 -26.187 13.754 5 H3 SER 1 HT3 SER 1 4.970 -26.739 15.002 6 HB2 SER 1 HB2 SER 1 2.629 -25.897 15.183 7 HB3 SER 1 HB1 SER 1 1.882 -25.992 13.591 8 H GLU 2 HN GLU 2 4.385 -24.071 11.574 9 HA GLU 2 HA GLU 2 4.264 -21.576 13.050 10 HB2 GLU 2 HB2 GLU 2 4.800 -20.537 10.902 11 HB3 GLU 2 HB1 GLU 2 5.881 -21.896 11.207 12 HG2 GLU 2 HG2 GLU 2 4.412 -23.337 9.802 13 HG3 GLU 2 HG1 GLU 2 3.419 -21.929 9.433 14 H ALA 3 HN ALA 3 2.660 -20.052 12.949 15 HA ALA 3 HA ALA 3 0.017 -20.850 12.590 16 HB1 ALA 3 HB3 ALA 3 0.525 -18.943 13.969 17 HB2 ALA 3 HB1 ALA 3 -0.476 -18.382 12.630 18 HB3 ALA 3 HB2 ALA 3 1.264 -18.094 12.611 19 H GLU 4 HN GLU 4 -0.732 -21.561 10.736 20 HA GLU 4 HA GLU 4 0.158 -20.738 8.164 21 HB2 GLU 4 HB2 GLU 4 -0.883 -22.948 8.608 22 HB3 GLU 4 HB1 GLU 4 -2.424 -22.141 8.902 23 HG2 GLU 4 HG2 GLU 4 -2.434 -21.256 6.623 24 HG3 GLU 4 HG1 GLU 4 -0.846 -21.957 6.319 25 H ASP 5 HN ASP 5 -2.160 -19.475 10.386 26 HA ASP 5 HA ASP 5 -3.896 -18.141 8.604 27 HB2 ASP 5 HB2 ASP 5 -3.100 -17.592 11.462 28 HB3 ASP 5 HB1 ASP 5 -4.294 -16.619 10.607 29 H ALA 6 HN ALA 6 -0.758 -17.256 9.939 30 HA ALA 6 HA ALA 6 -0.687 -14.561 9.349 31 HB1 ALA 6 HB3 ALA 6 1.074 -15.691 10.621 32 HB2 ALA 6 HB1 ALA 6 1.773 -14.852 9.234 33 HB3 ALA 6 HB2 ALA 6 1.547 -16.601 9.186 34 H SER 7 HN SER 7 -0.124 -13.400 7.585 35 HA SER 7 HA SER 7 -0.768 -14.490 5.034 36 HG SER 7 HG SER 7 -0.535 -11.302 3.683 37 HB2 SER 7 HB2 SER 7 -1.280 -12.157 5.586 38 HB3 SER 7 HB1 SER 7 0.434 -11.814 5.792 39 H LEU 8 HN LEU 8 0.789 -13.782 3.172 40 HA LEU 8 HA LEU 8 3.004 -15.499 3.207 41 HG LEU 8 HG LEU 8 2.483 -16.224 1.003 42 HB2 LEU 8 HB2 LEU 8 2.194 -13.228 1.392 43 HB3 LEU 8 HB1 LEU 8 3.711 -14.091 1.143 44 HD11 LEU 8 HD11 LEU 8 0.125 -14.412 1.535 45 HD12 LEU 8 HD12 LEU 8 0.583 -15.892 2.379 46 HD13 LEU 8 HD13 LEU 8 -0.074 -15.976 0.746 47 HD21 LEU 8 HD23 LEU 8 1.357 -14.064 -0.809 48 HD22 LEU 8 HD21 LEU 8 1.366 -15.792 -1.158 49 HD23 LEU 8 HD22 LEU 8 2.886 -14.905 -1.054 50 H LEU 9 HN LEU 9 2.710 -12.754 4.994 51 HA LEU 9 HA LEU 9 5.360 -11.654 4.602 52 HG LEU 9 HG LEU 9 2.431 -10.659 4.474 53 HB2 LEU 9 HB2 LEU 9 3.279 -11.121 6.741 54 HB3 LEU 9 HB1 LEU 9 4.707 -10.138 6.412 55 HD11 LEU 9 HD11 LEU 9 1.910 -9.147 6.407 56 HD12 LEU 9 HD12 LEU 9 1.819 -8.347 4.838 57 HD13 LEU 9 HD13 LEU 9 3.222 -8.093 5.879 58 HD21 LEU 9 HD23 LEU 9 4.264 -10.308 3.066 59 HD22 LEU 9 HD21 LEU 9 5.089 -9.262 4.221 60 HD23 LEU 9 HD22 LEU 9 3.709 -8.654 3.304 61 H SER 10 HN SER 10 4.093 -14.323 6.135 62 HA SER 10 HA SER 10 5.508 -14.330 8.578 63 HG SER 10 HG SER 10 4.912 -17.849 7.000 64 HB2 SER 10 HB2 SER 10 4.998 -16.680 8.722 65 HB3 SER 10 HB1 SER 10 3.597 -15.852 8.053 66 H PHE 11 HN PHE 11 6.222 -16.361 5.768 67 HA PHE 11 HA PHE 11 8.654 -17.331 6.463 68 HD1 PHE 11 HD2 PHE 11 9.015 -19.550 5.024 69 HD2 PHE 11 HD1 PHE 11 5.674 -17.255 3.602 70 HE1 PHE 11 HE2 PHE 11 7.643 -21.612 4.921 71 HE2 PHE 11 HE1 PHE 11 4.302 -19.319 3.498 72 HZ PHE 11 HZ PHE 11 5.287 -21.498 4.158 73 HB2 PHE 11 HB2 PHE 11 7.825 -16.251 3.764 74 HB3 PHE 11 HB1 PHE 11 9.269 -17.229 4.027 75 H MET 12 HN MET 12 8.142 -14.170 4.891 76 HA MET 12 HA MET 12 10.850 -13.382 4.951 77 HB2 MET 12 HB2 MET 12 8.299 -11.768 4.829 78 HB3 MET 12 HB1 MET 12 9.904 -11.051 4.695 79 HG2 MET 12 HG2 MET 12 10.399 -12.459 2.751 80 HG3 MET 12 HG1 MET 12 8.827 -13.246 2.899 81 HE1 MET 12 HE3 MET 12 7.782 -12.634 0.530 82 HE2 MET 12 HE1 MET 12 9.521 -12.371 0.325 83 HE3 MET 12 HE2 MET 12 8.368 -11.198 -0.302 84 H GLN 13 HN GLN 13 8.189 -12.206 6.999 85 HA GLN 13 HA GLN 13 9.383 -10.649 8.820 86 HB2 GLN 13 HB2 GLN 13 7.031 -11.317 8.997 87 HB3 GLN 13 HB1 GLN 13 7.522 -12.921 9.546 88 HG2 GLN 13 HG2 GLN 13 8.530 -12.002 11.541 89 HG3 GLN 13 HG1 GLN 13 8.288 -10.354 10.962 90 HE21 GLN 13 HE21 GLN 13 7.200 -11.173 13.456 91 HE22 GLN 13 HE22 GLN 13 5.509 -11.221 13.321 92 H GLY 14 HN GLY 14 9.334 -14.209 9.227 93 HA2 GLY 14 HA2 GLY 14 11.180 -14.201 11.386 94 HA3 GLY 14 HA1 GLY 14 10.697 -15.604 10.441 95 H TYR 15 HN TYR 15 11.543 -14.688 7.891 96 HA TYR 15 HA TYR 15 14.103 -15.629 7.704 97 HD1 TYR 15 HD2 TYR 15 14.515 -16.703 5.281 98 HD2 TYR 15 HD1 TYR 15 15.008 -12.440 5.171 99 HE1 TYR 15 HE2 TYR 15 16.582 -16.978 3.940 100 HE2 TYR 15 HE1 TYR 15 17.074 -12.712 3.829 101 HH TYR 15 HH TYR 15 18.586 -14.177 3.071 102 HB2 TYR 15 HB2 TYR 15 12.626 -15.092 5.760 103 HB3 TYR 15 HB1 TYR 15 13.001 -13.388 6.004 104 H MET 16 HN MET 16 13.434 -12.164 7.609 105 HA MET 16 HA MET 16 16.065 -11.342 7.933 106 HB2 MET 16 HB2 MET 16 13.497 -10.054 8.910 107 HB3 MET 16 HB1 MET 16 15.062 -9.242 8.905 108 HG2 MET 16 HG2 MET 16 14.019 -8.570 6.879 109 HG3 MET 16 HG1 MET 16 15.166 -9.819 6.397 110 HE1 MET 16 HE3 MET 16 10.627 -10.014 6.747 111 HE2 MET 16 HE1 MET 16 11.468 -8.702 5.903 112 HE3 MET 16 HE2 MET 16 11.761 -8.984 7.616 113 H LYS 17 HN LYS 17 13.748 -12.519 10.293 114 HA LYS 17 HA LYS 17 15.161 -11.655 12.612 115 HB2 LYS 17 HB2 LYS 17 12.738 -12.561 12.432 116 HB3 LYS 17 HB1 LYS 17 13.480 -14.153 12.559 117 HG2 LYS 17 HG2 LYS 17 14.513 -13.563 14.680 118 HG3 LYS 17 HG1 LYS 17 13.906 -11.911 14.549 119 HD2 LYS 17 HD2 LYS 17 11.592 -12.747 14.575 120 HD3 LYS 17 HD1 LYS 17 12.189 -14.402 14.704 121 HE2 LYS 17 HE2 LYS 17 13.287 -13.843 16.838 122 HE3 LYS 17 HE1 LYS 17 12.691 -12.187 16.713 123 HZ1 LYS 17 HZ3 LYS 17 11.391 -14.131 17.980 124 HZ2 LYS 17 HZ1 LYS 17 10.695 -14.277 16.442 125 HZ3 LYS 17 HZ2 LYS 17 10.617 -12.795 17.270 126 H HIS 18 HN HIS 18 15.207 -14.665 10.752 127 HA HIS 18 HA HIS 18 17.219 -15.873 12.428 128 HD1 HIS 18 HD1 HIS 18 14.604 -19.010 10.305 129 HD2 HIS 18 HD2 HIS 18 15.124 -16.246 13.382 130 HE1 HIS 18 HE1 HIS 18 12.806 -19.499 12.019 131 HB2 HIS 18 HB2 HIS 18 16.074 -16.685 9.746 132 HB3 HIS 18 HB1 HIS 18 17.195 -17.661 10.696 133 H ALA 19 HN ALA 19 17.177 -14.675 9.028 134 HA ALA 19 HA ALA 19 19.850 -15.159 8.478 135 HB1 ALA 19 HB3 ALA 19 18.210 -12.822 7.490 136 HB2 ALA 19 HB1 ALA 19 18.097 -14.456 6.834 137 HB3 ALA 19 HB2 ALA 19 19.600 -13.544 6.680 138 H THR 20 HN THR 20 18.473 -12.759 10.464 139 HA THR 20 HA THR 20 20.663 -10.916 10.399 140 HB THR 20 HB THR 20 19.604 -10.334 12.770 141 HG1 THR 20 HG1 THR 20 18.385 -12.465 12.401 142 HG21 THR 20 HG23 THR 20 17.588 -9.300 11.431 143 HG22 THR 20 HG21 THR 20 18.468 -9.888 10.020 144 HG23 THR 20 HG22 THR 20 19.226 -8.733 11.117 145 H LYS 21 HN LYS 21 20.205 -13.997 11.750 146 HA LYS 21 HA LYS 21 22.031 -13.772 13.947 147 HB2 LYS 21 HB2 LYS 21 21.088 -16.234 12.470 148 HB3 LYS 21 HB1 LYS 21 21.947 -16.227 14.010 149 HG2 LYS 21 HG2 LYS 21 19.365 -14.698 13.652 150 HG3 LYS 21 HG1 LYS 21 19.364 -16.406 14.081 151 HD2 LYS 21 HD2 LYS 21 20.813 -15.861 16.055 152 HD3 LYS 21 HD1 LYS 21 20.651 -14.153 15.662 153 HE2 LYS 21 HE2 LYS 21 18.990 -14.697 17.337 154 HE3 LYS 21 HE1 LYS 21 18.162 -14.406 15.806 155 HZ1 LYS 21 HZ3 LYS 21 17.386 -16.464 15.815 156 HZ2 LYS 21 HZ1 LYS 21 18.023 -16.674 17.372 157 HZ3 LYS 21 HZ2 LYS 21 18.942 -17.117 16.013 158 H THR 22 HN THR 22 22.309 -14.663 10.567 159 HA THR 22 HA THR 22 24.897 -15.744 10.615 160 HB THR 22 HB THR 22 23.691 -14.111 8.376 161 HG1 THR 22 HG1 THR 22 22.213 -15.633 8.779 162 HG21 THR 22 HG23 THR 22 25.972 -14.605 7.900 163 HG22 THR 22 HG21 THR 22 25.036 -15.820 7.032 164 HG23 THR 22 HG22 THR 22 25.834 -16.240 8.547 165 H ALA 23 HN ALA 23 23.927 -12.564 11.231 166 HA ALA 23 HA ALA 23 25.870 -10.930 10.215 167 HB1 ALA 23 HB3 ALA 23 24.030 -10.040 11.512 168 HB2 ALA 23 HB1 ALA 23 25.541 -9.556 12.283 169 HB3 ALA 23 HB2 ALA 23 24.591 -10.879 12.957 170 H LYS 24 HN LYS 24 26.029 -12.765 13.281 171 HA LYS 24 HA LYS 24 28.554 -12.028 14.124 172 HB2 LYS 24 HB2 LYS 24 27.213 -14.734 14.279 173 HB3 LYS 24 HB1 LYS 24 28.618 -14.259 15.233 174 HG2 LYS 24 HG2 LYS 24 27.301 -12.351 16.156 175 HG3 LYS 24 HG1 LYS 24 25.889 -12.931 15.276 176 HD2 LYS 24 HD2 LYS 24 27.411 -14.605 17.297 177 HD3 LYS 24 HD1 LYS 24 25.983 -13.654 17.696 178 HE2 LYS 24 HE2 LYS 24 24.809 -14.934 15.789 179 HE3 LYS 24 HE1 LYS 24 26.179 -16.043 15.857 180 HZ1 LYS 24 HZ3 LYS 24 25.193 -17.039 17.549 181 HZ2 LYS 24 HZ1 LYS 24 23.953 -15.885 17.585 182 HZ3 LYS 24 HZ2 LYS 24 25.379 -15.624 18.472 183 H ASP 25 HN ASP 25 28.066 -15.171 12.702 184 HA ASP 25 HA ASP 25 30.594 -15.832 11.974 185 HB2 ASP 25 HB2 ASP 25 28.024 -16.435 10.497 186 HB3 ASP 25 HB1 ASP 25 29.571 -17.143 10.040 187 H ALA 26 HN ALA 26 28.322 -13.830 10.153 188 HA ALA 26 HA ALA 26 30.032 -13.401 7.916 189 HB1 ALA 26 HB3 ALA 26 27.646 -11.898 9.004 190 HB2 ALA 26 HB1 ALA 26 27.691 -12.995 7.624 191 HB3 ALA 26 HB2 ALA 26 28.487 -11.424 7.528 192 H LEU 27 HN LEU 27 29.386 -11.624 10.929 193 HA LEU 27 HA LEU 27 30.945 -9.349 10.357 194 HG LEU 27 HG LEU 27 28.649 -9.108 11.345 195 HB2 LEU 27 HB2 LEU 27 30.107 -10.673 12.917 196 HB3 LEU 27 HB1 LEU 27 31.189 -9.287 12.967 197 HD11 LEU 27 HD11 LEU 27 27.824 -9.902 13.476 198 HD12 LEU 27 HD12 LEU 27 27.546 -8.164 13.408 199 HD13 LEU 27 HD13 LEU 27 28.890 -8.804 14.353 200 HD21 LEU 27 HD23 LEU 27 30.292 -7.124 12.957 201 HD22 LEU 27 HD21 LEU 27 28.843 -6.726 12.038 202 HD23 LEU 27 HD22 LEU 27 30.292 -7.279 11.201 203 H SER 28 HN SER 28 31.874 -12.362 11.892 204 HA SER 28 HA SER 28 34.536 -11.686 12.485 205 HG SER 28 HG SER 28 35.606 -13.758 13.388 206 HB2 SER 28 HB2 SER 28 33.402 -13.713 13.338 207 HB3 SER 28 HB1 SER 28 33.415 -14.393 11.713 208 H SER 29 HN SER 29 32.902 -12.553 9.597 209 HA SER 29 HA SER 29 35.275 -13.180 8.053 210 HG SER 29 HG SER 29 33.975 -14.431 5.810 211 HB2 SER 29 HB2 SER 29 32.875 -13.920 7.502 212 HB3 SER 29 HB1 SER 29 32.664 -12.304 6.834 213 H VAL 30 HN VAL 30 34.340 -10.306 9.349 214 HA VAL 30 HA VAL 30 34.485 -8.419 7.310 215 HB VAL 30 HB VAL 30 33.882 -7.900 9.640 216 HG11 VAL 30 HG11 VAL 30 35.755 -9.344 10.587 217 HG12 VAL 30 HG12 VAL 30 35.530 -7.780 11.370 218 HG13 VAL 30 HG13 VAL 30 36.849 -8.008 10.221 219 HG21 VAL 30 HG23 VAL 30 34.928 -6.201 7.899 220 HG22 VAL 30 HG21 VAL 30 36.287 -6.199 9.020 221 HG23 VAL 30 HG22 VAL 30 34.693 -5.706 9.574 222 H GLN 31 HN GLN 31 36.818 -10.647 7.863 223 HA GLN 31 HA GLN 31 39.303 -9.517 7.946 224 HB2 GLN 31 HB2 GLN 31 38.848 -11.941 7.621 225 HB3 GLN 31 HB1 GLN 31 38.415 -11.611 5.944 226 HG2 GLN 31 HG2 GLN 31 40.658 -10.818 5.465 227 HG3 GLN 31 HG1 GLN 31 41.110 -10.955 7.163 228 HE21 GLN 31 HE21 GLN 31 42.503 -12.363 5.072 229 HE22 GLN 31 HE22 GLN 31 42.240 -14.026 5.297 230 H GLU 32 HN GLU 32 36.916 -8.833 5.622 231 HA GLU 32 HA GLU 32 38.631 -8.010 3.490 232 HB2 GLU 32 HB2 GLU 32 36.162 -8.515 3.295 233 HB3 GLU 32 HB1 GLU 32 35.850 -7.004 4.146 234 HG2 GLU 32 HG2 GLU 32 36.933 -5.725 2.399 235 HG3 GLU 32 HG1 GLU 32 37.468 -7.197 1.592 236 H SER 33 HN SER 33 38.167 -6.864 6.611 237 HA SER 33 HA SER 33 38.071 -4.099 6.398 238 HG SER 33 HG SER 33 39.513 -3.231 8.794 239 HB2 SER 33 HB2 SER 33 38.028 -4.747 8.615 240 HB3 SER 33 HB1 SER 33 39.256 -5.988 8.387 241 H GLN 34 HN GLN 34 40.504 -6.306 5.426 242 HA GLN 34 HA GLN 34 42.843 -4.815 5.613 243 HB2 GLN 34 HB2 GLN 34 42.745 -7.128 4.732 244 HB3 GLN 34 HB1 GLN 34 42.010 -6.520 3.249 245 HG2 GLN 34 HG2 GLN 34 43.985 -5.241 2.709 246 HG3 GLN 34 HG1 GLN 34 44.701 -5.582 4.284 247 HE21 GLN 34 HE21 GLN 34 46.015 -6.274 1.812 248 HE22 GLN 34 HE22 GLN 34 46.085 -7.967 1.717 249 H VAL 35 HN VAL 35 40.021 -4.057 3.814 250 HA VAL 35 HA VAL 35 40.803 -2.714 1.583 251 HB VAL 35 HB VAL 35 38.953 -1.007 2.237 252 HG11 VAL 35 HG11 VAL 35 38.366 -2.773 0.747 253 HG12 VAL 35 HG12 VAL 35 37.189 -2.875 2.055 254 HG13 VAL 35 HG13 VAL 35 38.546 -3.998 2.003 255 HG21 VAL 35 HG23 VAL 35 39.318 -1.561 4.719 256 HG22 VAL 35 HG21 VAL 35 38.465 -3.066 4.389 257 HG23 VAL 35 HG22 VAL 35 37.645 -1.525 4.161 258 H ALA 36 HN ALA 36 41.885 -2.028 4.726 259 HA ALA 36 HA ALA 36 42.346 0.723 4.798 260 HB1 ALA 36 HB3 ALA 36 42.968 -1.078 6.527 261 HB2 ALA 36 HB1 ALA 36 44.109 0.252 6.319 262 HB3 ALA 36 HB2 ALA 36 44.434 -1.315 5.577 263 H GLN 37 HN GLN 37 44.790 -1.629 3.748 264 HA GLN 37 HA GLN 37 46.612 -0.031 2.539 265 HB2 GLN 37 HB2 GLN 37 47.181 -1.832 1.025 266 HB3 GLN 37 HB1 GLN 37 46.714 -2.533 2.571 267 HG2 GLN 37 HG2 GLN 37 45.507 -3.860 1.072 268 HG3 GLN 37 HG1 GLN 37 44.314 -2.637 1.501 269 HE21 GLN 37 HE21 GLN 37 43.185 -2.669 -0.529 270 HE22 GLN 37 HE22 GLN 37 43.900 -2.152 -1.979 271 H GLN 38 HN GLN 38 43.485 -1.000 1.125 272 HA GLN 38 HA GLN 38 43.794 0.264 -1.384 273 HB2 GLN 38 HB2 GLN 38 41.889 -1.318 -0.409 274 HB3 GLN 38 HB1 GLN 38 41.123 0.209 0.016 275 HG2 GLN 38 HG2 GLN 38 40.296 -0.334 -2.139 276 HG3 GLN 38 HG1 GLN 38 41.503 0.927 -2.400 277 HE21 GLN 38 HE21 GLN 38 42.576 0.396 -4.302 278 HE22 GLN 38 HE22 GLN 38 43.173 -1.147 -4.678 279 H ALA 39 HN ALA 39 41.924 1.383 1.418 280 HA ALA 39 HA ALA 39 41.459 3.999 0.700 281 HB1 ALA 39 HB3 ALA 39 40.609 3.153 2.815 282 HB2 ALA 39 HB1 ALA 39 41.589 4.583 3.138 283 HB3 ALA 39 HB2 ALA 39 42.245 2.976 3.448 284 H ARG 40 HN ARG 40 44.308 2.834 2.511 285 HA ARG 40 HA ARG 40 45.802 5.191 2.397 286 HE ARG 40 HE ARG 40 48.967 3.810 4.519 287 HB2 ARG 40 HB2 ARG 40 46.728 2.315 2.488 288 HB3 ARG 40 HB1 ARG 40 47.820 3.687 2.654 289 HG2 ARG 40 HG2 ARG 40 46.593 4.464 4.629 290 HG3 ARG 40 HG1 ARG 40 45.434 3.146 4.449 291 HD2 ARG 40 HD2 ARG 40 47.099 2.533 6.132 292 HD3 ARG 40 HD1 ARG 40 47.296 1.512 4.711 293 HH11 ARG 40 HH21 ARG 40 48.597 0.755 6.105 294 HH12 ARG 40 HH22 ARG 40 50.290 0.547 6.400 295 HH21 ARG 40 HH11 ARG 40 51.188 3.553 4.926 296 HH22 ARG 40 HH12 ARG 40 51.757 2.130 5.733 297 H GLY 41 HN GLY 41 44.747 3.500 -0.036 298 HA2 GLY 41 HA2 GLY 41 46.964 3.810 -1.929 299 HA3 GLY 41 HA1 GLY 41 45.371 3.164 -2.319 300 H TRP 42 HN TRP 42 43.591 4.875 -1.813 301 HA TRP 42 HA TRP 42 43.483 6.700 -3.812 302 HD1 TRP 42 HD1 TRP 42 42.253 9.232 -3.986 303 HE1 TRP 42 HE1 TRP 42 40.159 9.411 -5.481 304 HE3 TRP 42 HE3 TRP 42 39.556 5.274 -2.214 305 HZ2 TRP 42 HZ2 TRP 42 37.671 8.052 -5.877 306 HZ3 TRP 42 HZ3 TRP 42 37.332 4.741 -3.164 307 HH2 TRP 42 HH2 TRP 42 36.385 6.124 -4.991 308 HB2 TRP 42 HB2 TRP 42 41.814 6.110 -1.706 309 HB3 TRP 42 HB1 TRP 42 42.239 7.771 -1.322 310 H VAL 43 HN VAL 43 45.393 6.960 -1.016 311 HA VAL 43 HA VAL 43 45.759 9.757 -0.829 312 HB VAL 43 HB VAL 43 47.623 9.272 0.550 313 HG11 VAL 43 HG11 VAL 43 45.742 6.895 0.712 314 HG12 VAL 43 HG12 VAL 43 45.441 8.477 1.426 315 HG13 VAL 43 HG13 VAL 43 46.777 7.485 2.009 316 HG21 VAL 43 HG23 VAL 43 48.592 6.896 0.538 317 HG22 VAL 43 HG21 VAL 43 48.993 7.904 -0.852 318 HG23 VAL 43 HG22 VAL 43 47.745 6.675 -0.991 319 H THR 44 HN THR 44 47.549 7.271 -2.553 320 HA THR 44 HA THR 44 49.497 8.920 -3.741 321 HB THR 44 HB THR 44 48.353 6.425 -5.018 322 HG1 THR 44 HG1 THR 44 49.135 5.398 -3.385 323 HG21 THR 44 HG23 THR 44 50.703 6.223 -5.843 324 HG22 THR 44 HG21 THR 44 51.062 7.783 -5.103 325 HG23 THR 44 HG22 THR 44 49.901 7.681 -6.426 326 H ASP 45 HN ASP 45 46.284 7.942 -4.842 327 HA ASP 45 HA ASP 45 46.461 9.337 -7.331 328 HB2 ASP 45 HB2 ASP 45 44.915 7.405 -6.832 329 HB3 ASP 45 HB1 ASP 45 43.960 8.512 -5.848 330 H GLY 46 HN GLY 46 46.802 10.687 -4.505 331 HA2 GLY 46 HA2 GLY 46 46.483 12.857 -3.732 332 HA3 GLY 46 HA1 GLY 46 45.859 13.241 -5.334 333 H PHE 47 HN PHE 47 44.754 11.180 -2.591 334 HA PHE 47 HA PHE 47 42.032 11.359 -3.037 335 HD1 PHE 47 HD1 PHE 47 45.230 12.003 -0.821 336 HD2 PHE 47 HD2 PHE 47 41.520 11.478 1.282 337 HE1 PHE 47 HE1 PHE 47 46.141 13.270 1.102 338 HE2 PHE 47 HE2 PHE 47 42.431 12.754 3.203 339 HZ PHE 47 HZ PHE 47 44.742 13.649 3.113 340 HB2 PHE 47 HB2 PHE 47 41.758 10.551 -0.856 341 HB3 PHE 47 HB1 PHE 47 43.385 10.020 -1.261 342 H SER 48 HN SER 48 44.211 13.785 -1.846 343 HA SER 48 HA SER 48 42.645 15.455 -0.354 344 HG SER 48 HG SER 48 45.945 15.445 -1.234 345 HB2 SER 48 HB2 SER 48 44.570 16.319 -2.523 346 HB3 SER 48 HB1 SER 48 43.993 17.324 -1.198 347 H SER 49 HN SER 49 42.449 14.879 -3.815 348 HA SER 49 HA SER 49 41.039 17.049 -4.688 349 HG SER 49 HG SER 49 42.281 15.833 -6.737 350 HB2 SER 49 HB2 SER 49 40.431 14.181 -5.430 351 HB3 SER 49 HB1 SER 49 40.144 15.613 -6.416 352 H LEU 50 HN LEU 50 40.081 14.898 -2.232 353 HA LEU 50 HA LEU 50 37.221 15.216 -2.638 354 HG LEU 50 HG LEU 50 38.809 12.771 -2.462 355 HB2 LEU 50 HB2 LEU 50 38.831 14.092 -0.335 356 HB3 LEU 50 HB1 LEU 50 37.071 14.132 -0.380 357 HD11 LEU 50 HD11 LEU 50 39.023 11.647 -0.302 358 HD12 LEU 50 HD12 LEU 50 38.041 10.663 -1.387 359 HD13 LEU 50 HD13 LEU 50 37.269 11.613 -0.119 360 HD21 LEU 50 HD23 LEU 50 36.777 13.155 -3.554 361 HD22 LEU 50 HD21 LEU 50 35.838 13.089 -2.065 362 HD23 LEU 50 HD22 LEU 50 36.444 11.605 -2.795 363 H LYS 51 HN LYS 51 39.832 16.707 -0.870 364 HA LYS 51 HA LYS 51 38.365 18.207 1.002 365 HB2 LYS 51 HB2 LYS 51 40.845 17.937 1.016 366 HB3 LYS 51 HB1 LYS 51 40.938 19.009 -0.382 367 HG2 LYS 51 HG2 LYS 51 39.912 20.821 0.898 368 HG3 LYS 51 HG1 LYS 51 39.703 19.753 2.286 369 HD2 LYS 51 HD2 LYS 51 42.165 19.463 2.412 370 HD3 LYS 51 HD1 LYS 51 42.353 20.578 1.058 371 HE2 LYS 51 HE2 LYS 51 40.968 21.293 3.659 372 HE3 LYS 51 HE1 LYS 51 42.657 21.663 3.308 373 HZ1 LYS 51 HZ3 LYS 51 41.761 22.778 1.229 374 HZ2 LYS 51 HZ1 LYS 51 41.488 23.570 2.701 375 HZ3 LYS 51 HZ2 LYS 51 40.232 22.693 1.966 376 H ASP 52 HN ASP 52 39.318 18.894 -2.329 377 HA ASP 52 HA ASP 52 38.398 21.542 -2.503 378 HB2 ASP 52 HB2 ASP 52 38.518 19.386 -4.625 379 HB3 ASP 52 HB1 ASP 52 38.185 21.086 -4.956 380 H TYR 53 HN TYR 53 36.704 18.679 -3.801 381 HA TYR 53 HA TYR 53 34.243 19.977 -4.127 382 HD1 TYR 53 HD2 TYR 53 32.847 19.018 -6.154 383 HD2 TYR 53 HD1 TYR 53 36.509 16.855 -5.548 384 HE1 TYR 53 HE2 TYR 53 33.331 19.156 -8.582 385 HE2 TYR 53 HE1 TYR 53 36.991 16.992 -7.977 386 HH TYR 53 HH TYR 53 36.323 18.569 -9.895 387 HB2 TYR 53 HB2 TYR 53 34.949 17.062 -3.768 388 HB3 TYR 53 HB1 TYR 53 33.300 17.606 -4.075 389 H TRP 54 HN TRP 54 35.410 17.941 -1.424 390 HA TRP 54 HA TRP 54 33.082 18.023 0.118 391 HD1 TRP 54 HD1 TRP 54 35.758 18.704 3.520 392 HE1 TRP 54 HE1 TRP 54 34.228 18.049 5.489 393 HE3 TRP 54 HE3 TRP 54 32.408 15.734 1.076 394 HZ2 TRP 54 HZ2 TRP 54 31.886 16.472 5.961 395 HZ3 TRP 54 HZ3 TRP 54 30.539 14.666 2.303 396 HH2 TRP 54 HH2 TRP 54 30.275 15.031 4.742 397 HB2 TRP 54 HB2 TRP 54 35.038 16.579 0.588 398 HB3 TRP 54 HB1 TRP 54 35.956 18.004 1.077 399 H SER 55 HN SER 55 35.989 20.073 0.462 400 HA SER 55 HA SER 55 35.046 21.848 2.348 401 HG SER 55 HG SER 55 37.572 21.891 2.621 402 HB2 SER 55 HB2 SER 55 36.813 22.504 -0.023 403 HB3 SER 55 HB1 SER 55 36.636 23.487 1.426 404 H THR 56 HN THR 56 34.416 21.760 -1.095 405 HA THR 56 HA THR 56 33.003 24.288 -1.140 406 HB THR 56 HB THR 56 33.039 22.005 -3.127 407 HG1 THR 56 HG1 THR 56 34.456 24.435 -2.855 408 HG21 THR 56 HG23 THR 56 31.052 23.280 -3.511 409 HG22 THR 56 HG21 THR 56 32.239 23.849 -4.685 410 HG23 THR 56 HG22 THR 56 31.899 24.803 -3.240 411 H VAL 57 HN VAL 57 31.681 21.141 -2.125 412 HA VAL 57 HA VAL 57 29.040 21.542 -1.840 413 HB VAL 57 HB VAL 57 30.538 19.074 -0.923 414 HG11 VAL 57 HG11 VAL 57 27.599 19.595 -1.424 415 HG12 VAL 57 HG12 VAL 57 28.350 18.909 0.017 416 HG13 VAL 57 HG13 VAL 57 28.291 17.974 -1.477 417 HG21 VAL 57 HG23 VAL 57 30.060 18.246 -3.160 418 HG22 VAL 57 HG21 VAL 57 30.861 19.810 -3.303 419 HG23 VAL 57 HG22 VAL 57 29.116 19.689 -3.533 420 H LYS 58 HN LYS 58 30.900 20.152 0.886 421 HA LYS 58 HA LYS 58 29.071 20.259 2.883 422 HB2 LYS 58 HB2 LYS 58 31.415 19.477 3.136 423 HB3 LYS 58 HB1 LYS 58 31.950 21.159 3.148 424 HG2 LYS 58 HG2 LYS 58 30.612 21.601 5.150 425 HG3 LYS 58 HG1 LYS 58 29.988 19.952 5.120 426 HD2 LYS 58 HD2 LYS 58 32.288 19.090 5.403 427 HD3 LYS 58 HD1 LYS 58 32.896 20.743 5.466 428 HE2 LYS 58 HE2 LYS 58 30.864 19.565 7.384 429 HE3 LYS 58 HE1 LYS 58 32.579 19.779 7.736 430 HZ1 LYS 58 HZ3 LYS 58 31.427 21.642 8.608 431 HZ2 LYS 58 HZ1 LYS 58 30.579 21.893 7.163 432 HZ3 LYS 58 HZ2 LYS 58 32.254 22.181 7.224 433 H ASP 59 HN ASP 59 31.359 22.944 2.315 434 HA ASP 59 HA ASP 59 30.043 24.790 3.965 435 HB2 ASP 59 HB2 ASP 59 32.335 25.136 3.179 436 HB3 ASP 59 HB1 ASP 59 31.761 25.300 1.521 437 H LYS 60 HN LYS 60 29.780 24.278 0.438 438 HA LYS 60 HA LYS 60 27.900 26.326 0.005 439 HB2 LYS 60 HB2 LYS 60 29.330 25.164 -1.728 440 HB3 LYS 60 HB1 LYS 60 28.260 23.772 -1.582 441 HG2 LYS 60 HG2 LYS 60 26.358 25.095 -2.331 442 HG3 LYS 60 HG1 LYS 60 27.343 26.559 -2.342 443 HD2 LYS 60 HD2 LYS 60 28.803 25.548 -4.075 444 HD3 LYS 60 HD1 LYS 60 27.784 24.107 -4.077 445 HE2 LYS 60 HE2 LYS 60 26.747 26.893 -4.652 446 HE3 LYS 60 HE1 LYS 60 27.238 25.757 -5.908 447 HZ1 LYS 60 HZ3 LYS 60 24.839 25.825 -4.351 448 HZ2 LYS 60 HZ1 LYS 60 25.588 24.307 -4.292 449 HZ3 LYS 60 HZ2 LYS 60 25.171 24.987 -5.793 450 H PHE 61 HN PHE 61 27.559 23.418 1.631 451 HA PHE 61 HA PHE 61 24.919 22.709 0.881 452 HD1 PHE 61 HD2 PHE 61 24.719 20.071 1.001 453 HD2 PHE 61 HD1 PHE 61 24.152 21.921 4.836 454 HE1 PHE 61 HE2 PHE 61 22.696 18.686 1.369 455 HE2 PHE 61 HE1 PHE 61 22.129 20.534 5.205 456 HZ PHE 61 HZ PHE 61 21.400 18.917 3.471 457 HB2 PHE 61 HB2 PHE 61 26.576 21.313 2.228 458 HB3 PHE 61 HB1 PHE 61 26.146 22.314 3.615 459 H SER 62 HN SER 62 26.258 25.268 2.756 460 HA SER 62 HA SER 62 23.924 25.796 4.364 461 HG SER 62 HG SER 62 27.087 26.122 4.974 462 HB2 SER 62 HB2 SER 62 26.271 27.565 3.663 463 HB3 SER 62 HB1 SER 62 25.020 27.966 4.834 464 H GLU 63 HN GLU 63 25.326 27.423 1.524 465 HA GLU 63 HA GLU 63 23.039 29.130 1.169 466 HB2 GLU 63 HB2 GLU 63 24.170 29.897 -0.834 467 HB3 GLU 63 HB1 GLU 63 25.341 29.763 0.479 468 HG2 GLU 63 HG2 GLU 63 25.946 27.488 -0.380 469 HG3 GLU 63 HG1 GLU 63 24.897 27.772 -1.764 470 H PHE 64 HN PHE 64 24.095 26.047 -0.167 471 HA PHE 64 HA PHE 64 22.489 25.913 -2.423 472 HD1 PHE 64 HD2 PHE 64 22.905 24.243 -4.197 473 HD2 PHE 64 HD1 PHE 64 21.778 21.915 -0.767 474 HE1 PHE 64 HE2 PHE 64 21.619 22.710 -5.660 475 HE2 PHE 64 HE1 PHE 64 20.492 20.381 -2.231 476 HZ PHE 64 HZ PHE 64 20.411 20.779 -4.678 477 HB2 PHE 64 HB2 PHE 64 24.203 24.248 -1.903 478 HB3 PHE 64 HB1 PHE 64 23.276 23.704 -0.504 479 H TRP 65 HN TRP 65 21.456 26.381 0.700 480 HA TRP 65 HA TRP 65 19.056 24.768 0.612 481 HD1 TRP 65 HD1 TRP 65 17.547 27.916 3.280 482 HE1 TRP 65 HE1 TRP 65 15.383 26.811 4.138 483 HE3 TRP 65 HE3 TRP 65 18.641 23.016 2.364 484 HZ2 TRP 65 HZ2 TRP 65 14.263 24.190 4.399 485 HZ3 TRP 65 HZ3 TRP 65 17.012 21.237 2.924 486 HH2 TRP 65 HH2 TRP 65 14.826 21.816 3.940 487 HB2 TRP 65 HB2 TRP 65 20.166 25.393 2.740 488 HB3 TRP 65 HB1 TRP 65 19.787 27.085 2.423 489 H ASP 66 HN ASP 66 19.775 28.259 0.415 490 HA ASP 66 HA ASP 66 17.066 28.876 -0.554 491 HB2 ASP 66 HB2 ASP 66 19.497 30.584 0.080 492 HB3 ASP 66 HB1 ASP 66 17.997 31.231 -0.585 493 H LEU 67 HN LEU 67 16.588 28.666 -2.571 494 HA LEU 67 HA LEU 67 18.633 28.666 -4.648 495 HG LEU 67 HG LEU 67 16.537 25.763 -5.275 496 HB2 LEU 67 HB2 LEU 67 15.718 27.921 -4.556 497 HB3 LEU 67 HB1 LEU 67 16.538 28.147 -6.099 498 HD11 LEU 67 HD11 LEU 67 19.423 26.538 -5.219 499 HD12 LEU 67 HD12 LEU 67 18.502 27.043 -6.634 500 HD13 LEU 67 HD13 LEU 67 18.590 25.339 -6.205 501 HD21 LEU 67 HD23 LEU 67 17.751 25.141 -3.327 502 HD22 LEU 67 HD21 LEU 67 16.796 26.542 -2.841 503 HD23 LEU 67 HD22 LEU 67 18.514 26.725 -3.199 504 H ASP 68 HN ASP 68 17.445 29.671 -6.806 505 HA ASP 68 HA ASP 68 17.894 32.403 -6.605 506 HB2 ASP 68 HB2 ASP 68 16.122 32.038 -8.794 507 HB3 ASP 68 HB1 ASP 68 17.878 32.010 -8.852 508 HA PRO 69 HA PRO 69 14.436 34.523 -5.002 509 HB2 PRO 69 HB2 PRO 69 13.428 35.762 -7.426 510 HB3 PRO 69 HB1 PRO 69 14.412 36.497 -6.153 511 HG2 PRO 69 HG2 PRO 69 15.236 35.436 -8.773 512 HG3 PRO 69 HG1 PRO 69 16.055 36.596 -7.717 513 HD2 PRO 69 HD2 PRO 69 16.969 34.067 -8.070 514 HD3 PRO 69 HD1 PRO 69 17.188 34.945 -6.549 515 H GLU 70 HN GLU 70 14.058 32.300 -7.594 516 HA GLU 70 HA GLU 70 11.212 31.861 -6.834 517 HB2 GLU 70 HB2 GLU 70 11.049 30.982 -9.271 518 HB3 GLU 70 HB1 GLU 70 11.014 32.724 -9.003 519 HG2 GLU 70 HG2 GLU 70 13.359 32.927 -9.564 520 HG3 GLU 70 HG1 GLU 70 13.537 31.178 -9.657 521 H VAL 71 HN VAL 71 11.246 30.092 -5.627 522 HA VAL 71 HA VAL 71 13.074 27.886 -6.335 523 HB VAL 71 HB VAL 71 11.181 28.003 -3.977 524 HG11 VAL 71 HG11 VAL 71 13.804 26.572 -4.506 525 HG12 VAL 71 HG12 VAL 71 12.202 25.836 -4.474 526 HG13 VAL 71 HG13 VAL 71 12.896 26.500 -2.995 527 HG21 VAL 71 HG23 VAL 71 12.390 29.994 -3.667 528 HG22 VAL 71 HG21 VAL 71 13.866 29.326 -4.362 529 HG23 VAL 71 HG22 VAL 71 13.331 28.812 -2.762 530 H ARG 72 HN ARG 72 12.001 27.163 -8.199 531 HA ARG 72 HA ARG 72 9.456 25.779 -7.649 532 HE ARG 72 HE ARG 72 9.530 28.976 -10.900 533 HB2 ARG 72 HB2 ARG 72 10.186 27.348 -10.116 534 HB3 ARG 72 HB1 ARG 72 8.871 26.174 -10.084 535 HG2 ARG 72 HG2 ARG 72 7.884 27.405 -8.137 536 HG3 ARG 72 HG1 ARG 72 9.133 28.634 -8.329 537 HD2 ARG 72 HD2 ARG 72 7.055 27.844 -10.383 538 HD3 ARG 72 HD1 ARG 72 7.100 29.346 -9.463 539 HH11 ARG 72 HH21 ARG 72 6.211 29.900 -11.151 540 HH12 ARG 72 HH22 ARG 72 6.440 30.848 -12.583 541 HH21 ARG 72 HH11 ARG 72 9.835 30.168 -12.803 542 HH22 ARG 72 HH12 ARG 72 8.495 31.000 -13.520 543 HA PRO 73 HA PRO 73 11.743 22.156 -8.880 544 HB2 PRO 73 HB2 PRO 73 9.413 20.779 -9.899 545 HB3 PRO 73 HB1 PRO 73 10.209 20.552 -8.339 546 HG2 PRO 73 HG2 PRO 73 7.725 21.915 -8.945 547 HG3 PRO 73 HG1 PRO 73 8.386 21.453 -7.373 548 HD2 PRO 73 HD2 PRO 73 8.194 24.060 -8.391 549 HD3 PRO 73 HD1 PRO 73 9.155 23.559 -6.984 550 H THR 74 HN THR 74 9.656 23.998 -10.964 551 HA THR 74 HA THR 74 10.355 22.588 -13.396 552 HB THR 74 HB THR 74 9.072 24.317 -14.540 553 HG1 THR 74 HG1 THR 74 8.525 26.140 -13.556 554 HG21 THR 74 HG23 THR 74 7.915 23.165 -12.000 555 HG22 THR 74 HG21 THR 74 7.671 22.630 -13.663 556 HG23 THR 74 HG22 THR 74 6.933 24.129 -13.101 557 H SER 75 HN SER 75 10.860 25.968 -12.453 558 HA SER 75 HA SER 75 12.745 26.526 -14.417 559 HG SER 75 HG SER 75 11.714 28.649 -14.277 560 HB2 SER 75 HB2 SER 75 12.330 27.716 -11.673 561 HB3 SER 75 HB1 SER 75 13.459 28.381 -12.850 562 H ALA 76 HN ALA 76 13.180 25.204 -11.153 563 HA ALA 76 HA ALA 76 15.950 25.413 -10.949 564 HB1 ALA 76 HB3 ALA 76 14.650 24.751 -9.045 565 HB2 ALA 76 HB1 ALA 76 15.767 23.437 -9.412 566 HB3 ALA 76 HB2 ALA 76 14.069 23.308 -9.875 567 H VAL 77 HN VAL 77 14.239 22.384 -11.799 568 HA VAL 77 HA VAL 77 16.544 21.057 -12.702 569 HB VAL 77 HB VAL 77 15.009 19.475 -13.790 570 HG11 VAL 77 HG11 VAL 77 13.989 20.521 -11.130 571 HG12 VAL 77 HG12 VAL 77 15.293 19.353 -11.347 572 HG13 VAL 77 HG13 VAL 77 13.640 18.926 -11.797 573 HG21 VAL 77 HG23 VAL 77 13.055 21.730 -13.363 574 HG22 VAL 77 HG21 VAL 77 12.491 20.069 -13.506 575 HG23 VAL 77 HG22 VAL 77 13.369 20.818 -14.836 576 H ALA 78 HN ALA 78 14.048 22.807 -14.580 577 HA ALA 78 HA ALA 78 15.375 22.467 -17.081 578 HB1 ALA 78 HB3 ALA 78 13.809 24.264 -17.835 579 HB2 ALA 78 HB1 ALA 78 13.271 24.439 -16.164 580 HB3 ALA 78 HB2 ALA 78 13.001 22.924 -17.023 581 H ALA 79 HN ALA 79 16.111 24.296 -14.392 582 HA ALA 79 HA ALA 79 18.334 25.582 -15.555 583 HB1 ALA 79 HB3 ALA 79 17.441 27.975 -15.273 584 HB2 ALA 79 HB1 ALA 79 15.834 27.250 -15.306 585 HB3 ALA 79 HB2 ALA 79 16.906 27.081 -16.696
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