NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
511313 | 2kyl | 16967 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 2.051 20.517 -0.307 2 H2 GLY 1 HT2 GLY 1 1.899 21.499 -1.674 3 H3 GLY 1 HT3 GLY 1 2.294 19.865 -1.846 4 HA2 GLY 1 HA1 GLY 1 -0.277 20.948 -0.848 5 HA3 GLY 1 HA2 GLY 1 -0.008 20.206 -2.418 6 H GLY 2 HN GLY 2 -0.850 19.696 0.812 7 HA2 GLY 2 HA2 GLY 2 -0.084 16.935 0.984 8 HA3 GLY 2 HA1 GLY 2 -1.135 17.796 2.096 9 H SER 3 HN SER 3 -3.269 18.522 0.765 10 HA SER 3 HA SER 3 -4.411 15.989 -0.136 11 HB2 SER 3 HB2 SER 3 -5.908 18.557 0.398 12 HB3 SER 3 HB1 SER 3 -6.536 16.905 0.396 13 HG SER 3 HG SER 3 -5.289 16.499 2.260 14 H MET 4 HN MET 4 -4.040 15.698 -2.245 15 HA MET 4 HA MET 4 -5.065 17.703 -4.109 16 HB2 MET 4 HB2 MET 4 -2.689 18.198 -3.989 17 HB3 MET 4 HB1 MET 4 -2.288 16.509 -4.249 18 HG2 MET 4 HG2 MET 4 -1.907 17.671 -6.276 19 HG3 MET 4 HG1 MET 4 -3.342 16.671 -6.491 20 HE1 MET 4 HE1 MET 4 -3.691 18.105 -8.690 21 HE2 MET 4 HE2 MET 4 -2.422 19.283 -8.354 22 HE3 MET 4 HE3 MET 4 -4.062 19.828 -8.708 23 H ARG 5 HN ARG 5 -3.721 14.460 -3.657 24 HA ARG 5 HA ARG 5 -5.019 13.495 -6.061 25 HB2 ARG 5 HB2 ARG 5 -3.044 12.419 -4.124 26 HB3 ARG 5 HB1 ARG 5 -4.033 11.257 -4.993 27 HG2 ARG 5 HG2 ARG 5 -2.017 11.520 -6.206 28 HG3 ARG 5 HG1 ARG 5 -3.283 12.341 -7.117 29 HD2 ARG 5 HD2 ARG 5 -2.548 14.487 -6.111 30 HD3 ARG 5 HD1 ARG 5 -1.221 13.626 -5.331 31 HE ARG 5 HE ARG 5 -1.393 13.360 -8.219 32 HH11 ARG 5 HH11 ARG 5 0.036 15.057 -5.508 33 HH12 ARG 5 HH12 ARG 5 1.403 15.614 -6.419 34 HH21 ARG 5 HH21 ARG 5 0.413 14.089 -9.416 35 HH22 ARG 5 HH22 ARG 5 1.614 15.072 -8.639 36 HA PRO 6 HA PRO 6 -8.724 12.400 -3.849 37 HB2 PRO 6 HB2 PRO 6 -9.860 10.927 -5.828 38 HB3 PRO 6 HB1 PRO 6 -9.818 12.687 -5.842 39 HG2 PRO 6 HG2 PRO 6 -8.022 10.737 -7.213 40 HG3 PRO 6 HG1 PRO 6 -8.805 12.188 -7.845 41 HD2 PRO 6 HD2 PRO 6 -6.232 12.197 -7.087 42 HD3 PRO 6 HD1 PRO 6 -7.275 13.613 -6.845 43 HA PRO 7 HA PRO 7 -7.454 8.392 -2.319 44 HB2 PRO 7 HB2 PRO 7 -9.857 8.431 -0.675 45 HB3 PRO 7 HB1 PRO 7 -8.168 8.514 -0.174 46 HG2 PRO 7 HG2 PRO 7 -9.879 10.607 0.025 47 HG3 PRO 7 HG1 PRO 7 -8.134 10.807 -0.229 48 HD2 PRO 7 HD2 PRO 7 -10.373 10.994 -2.207 49 HD3 PRO 7 HD1 PRO 7 -8.905 11.982 -2.065 50 H ILE 8 HN ILE 8 -8.075 6.285 -2.447 51 HA ILE 8 HA ILE 8 -10.247 5.677 -4.276 52 HB ILE 8 HB ILE 8 -8.132 3.867 -3.124 53 HG12 ILE 8 HG12 ILE 8 -7.394 5.868 -4.596 54 HG13 ILE 8 HG11 ILE 8 -6.776 4.269 -4.972 55 HG21 ILE 8 HG21 ILE 8 -10.152 3.512 -5.312 56 HG22 ILE 8 HG22 ILE 8 -9.920 2.539 -3.860 57 HG23 ILE 8 HG23 ILE 8 -8.725 2.487 -5.155 58 HD11 ILE 8 HD11 ILE 8 -7.453 5.589 -6.951 59 HD12 ILE 8 HD12 ILE 8 -9.117 5.536 -6.366 60 HD13 ILE 8 HD13 ILE 8 -8.285 4.040 -6.806 61 H ILE 9 HN ILE 9 -12.081 5.860 -2.941 62 HA ILE 9 HA ILE 9 -12.242 4.652 -0.373 63 HB ILE 9 HB ILE 9 -14.356 5.745 -2.230 64 HG12 ILE 9 HG12 ILE 9 -14.471 7.591 -0.848 65 HG13 ILE 9 HG11 ILE 9 -13.710 6.778 0.498 66 HG21 ILE 9 HG21 ILE 9 -14.659 4.293 0.347 67 HG22 ILE 9 HG22 ILE 9 -15.658 4.234 -1.106 68 HG23 ILE 9 HG23 ILE 9 -15.749 5.630 -0.029 69 HD11 ILE 9 HD11 ILE 9 -11.567 6.907 -0.700 70 HD12 ILE 9 HD12 ILE 9 -12.271 8.491 -0.381 71 HD13 ILE 9 HD13 ILE 9 -12.372 7.789 -1.997 72 H ILE 10 HN ILE 10 -11.802 2.516 -0.404 73 HA ILE 10 HA ILE 10 -13.216 0.719 -2.202 74 HB ILE 10 HB ILE 10 -11.184 0.078 -0.070 75 HG12 ILE 10 HG12 ILE 10 -10.654 0.322 -3.019 76 HG13 ILE 10 HG11 ILE 10 -10.488 1.695 -1.937 77 HG21 ILE 10 HG21 ILE 10 -12.403 -1.876 -0.704 78 HG22 ILE 10 HG22 ILE 10 -10.837 -1.945 -1.515 79 HG23 ILE 10 HG23 ILE 10 -12.274 -1.467 -2.416 80 HD11 ILE 10 HD11 ILE 10 -8.807 0.463 -0.661 81 HD12 ILE 10 HD12 ILE 10 -8.353 0.645 -2.356 82 HD13 ILE 10 HD13 ILE 10 -8.975 -0.898 -1.770 83 H HIS 11 HN HIS 11 -14.762 -0.667 -1.594 84 HA HIS 11 HA HIS 11 -15.928 -0.326 1.053 85 HB2 HIS 11 HB2 HIS 11 -16.816 -1.615 -1.517 86 HB3 HIS 11 HB1 HIS 11 -17.677 -1.929 -0.014 87 HD2 HIS 11 HD2 HIS 11 -17.086 1.504 0.653 88 HE1 HIS 11 HE1 HIS 11 -20.176 1.658 -2.232 89 HE2 HIS 11 HE2 HIS 11 -18.772 3.016 -0.618 90 H ARG 12 HN ARG 12 -16.329 -2.020 2.462 91 HA ARG 12 HA ARG 12 -14.354 -4.026 2.674 92 HB2 ARG 12 HB2 ARG 12 -15.765 -4.759 4.606 93 HB3 ARG 12 HB1 ARG 12 -15.383 -3.046 4.623 94 HG2 ARG 12 HG2 ARG 12 -17.545 -2.439 3.969 95 HG3 ARG 12 HG1 ARG 12 -17.940 -4.081 3.465 96 HD2 ARG 12 HD2 ARG 12 -17.794 -4.801 5.799 97 HD3 ARG 12 HD1 ARG 12 -17.474 -3.144 6.291 98 HE ARG 12 HE ARG 12 -19.866 -3.309 4.771 99 HH11 ARG 12 HH11 ARG 12 -18.568 -3.963 7.955 100 HH12 ARG 12 HH12 ARG 12 -20.100 -3.814 8.750 101 HH21 ARG 12 HH21 ARG 12 -21.891 -3.107 5.821 102 HH22 ARG 12 HH22 ARG 12 -21.990 -3.333 7.538 103 H ALA 13 HN ALA 13 -14.337 -6.094 1.968 104 HA ALA 13 HA ALA 13 -16.844 -7.189 0.864 105 HB1 ALA 13 HB1 ALA 13 -13.995 -7.507 -0.034 106 HB2 ALA 13 HB2 ALA 13 -15.389 -6.950 -0.962 107 HB3 ALA 13 HB3 ALA 13 -15.254 -8.647 -0.506 108 H GLY 14 HN GLY 14 -17.043 -7.694 3.267 109 HA2 GLY 14 HA2 GLY 14 -17.329 -9.523 4.689 110 HA3 GLY 14 HA1 GLY 14 -16.233 -10.453 3.672 111 H LYS 15 HN LYS 15 -13.979 -9.166 3.620 112 HA LYS 15 HA LYS 15 -13.136 -8.139 6.156 113 HB2 LYS 15 HB2 LYS 15 -12.861 -10.256 6.980 114 HB3 LYS 15 HB1 LYS 15 -12.607 -10.943 5.397 115 HG2 LYS 15 HG2 LYS 15 -10.589 -11.128 6.671 116 HG3 LYS 15 HG1 LYS 15 -10.352 -9.962 5.376 117 HD2 LYS 15 HD2 LYS 15 -10.792 -8.144 6.977 118 HD3 LYS 15 HD1 LYS 15 -10.881 -9.342 8.267 119 HE2 LYS 15 HE2 LYS 15 -8.674 -8.229 8.115 120 HE3 LYS 15 HE1 LYS 15 -8.589 -9.975 7.901 121 HZ1 LYS 15 HZ1 LYS 15 -8.300 -9.723 5.587 122 HZ2 LYS 15 HZ2 LYS 15 -7.235 -8.633 6.309 123 HZ3 LYS 15 HZ3 LYS 15 -8.674 -8.072 5.619 124 H LYS 16 HN LYS 16 -12.133 -9.617 3.112 125 HA LYS 16 HA LYS 16 -9.756 -7.989 2.934 126 HB2 LYS 16 HB2 LYS 16 -10.966 -9.721 0.794 127 HB3 LYS 16 HB1 LYS 16 -9.313 -9.171 0.888 128 HG2 LYS 16 HG2 LYS 16 -10.626 -11.084 2.799 129 HG3 LYS 16 HG1 LYS 16 -9.566 -11.536 1.462 130 HD2 LYS 16 HD2 LYS 16 -8.557 -9.512 3.339 131 HD3 LYS 16 HD1 LYS 16 -8.695 -11.155 3.962 132 HE2 LYS 16 HE2 LYS 16 -7.127 -10.227 1.561 133 HE3 LYS 16 HE1 LYS 16 -6.480 -10.848 3.078 134 HZ1 LYS 16 HZ1 LYS 16 -6.382 -12.589 1.511 135 HZ2 LYS 16 HZ2 LYS 16 -7.970 -12.343 0.999 136 HZ3 LYS 16 HZ3 LYS 16 -7.667 -12.970 2.538 137 H TYR 17 HN TYR 17 -9.322 -6.556 1.141 138 HA TYR 17 HA TYR 17 -11.737 -5.104 0.307 139 HB2 TYR 17 HB2 TYR 17 -8.851 -4.220 0.421 140 HB3 TYR 17 HB1 TYR 17 -10.175 -3.227 -0.179 141 HD1 TYR 17 HD1 TYR 17 -11.897 -2.385 1.369 142 HD2 TYR 17 HD2 TYR 17 -8.551 -4.606 2.751 143 HE1 TYR 17 HE1 TYR 17 -12.373 -1.642 3.664 144 HE2 TYR 17 HE2 TYR 17 -8.999 -3.893 5.040 145 HH TYR 17 HH TYR 17 -10.409 -1.578 6.025 146 H GLY 18 HN GLY 18 -9.533 -7.302 -0.856 147 HA2 GLY 18 HA2 GLY 18 -9.799 -8.235 -3.023 148 HA3 GLY 18 HA1 GLY 18 -10.399 -6.688 -3.569 149 H PHE 19 HN PHE 19 -7.565 -6.477 -1.703 150 HA PHE 19 HA PHE 19 -5.907 -6.711 -4.073 151 HB2 PHE 19 HB2 PHE 19 -4.959 -4.563 -4.014 152 HB3 PHE 19 HB1 PHE 19 -6.687 -4.351 -3.966 153 HD1 PHE 19 HD1 PHE 19 -7.786 -3.544 -1.907 154 HD2 PHE 19 HD2 PHE 19 -3.555 -3.899 -2.213 155 HE1 PHE 19 HE1 PHE 19 -7.517 -2.067 0.046 156 HE2 PHE 19 HE2 PHE 19 -3.279 -2.435 -0.258 157 HZ PHE 19 HZ PHE 19 -5.267 -1.512 0.871 158 H THR 20 HN THR 20 -3.689 -6.349 -3.728 159 HA THR 20 HA THR 20 -2.777 -7.602 -1.219 160 HB THR 20 HB THR 20 -1.511 -7.560 -3.960 161 HG1 THR 20 HG1 THR 20 -3.294 -9.044 -3.586 162 HG21 THR 20 HG21 THR 20 0.230 -9.019 -3.042 163 HG22 THR 20 HG22 THR 20 -0.493 -8.886 -1.440 164 HG23 THR 20 HG23 THR 20 0.227 -7.466 -2.203 165 H LEU 21 HN LEU 21 -1.593 -6.400 0.097 166 HA LEU 21 HA LEU 21 -0.492 -3.889 -0.926 167 HB2 LEU 21 HB2 LEU 21 -2.028 -3.752 1.014 168 HB3 LEU 21 HB1 LEU 21 -0.949 -4.782 1.926 169 HG LEU 21 HG LEU 21 0.772 -3.069 1.902 170 HD11 LEU 21 HD11 LEU 21 0.393 -2.072 -0.253 171 HD12 LEU 21 HD12 LEU 21 0.260 -0.825 0.987 172 HD13 LEU 21 HD13 LEU 21 -1.195 -1.497 0.252 173 HD21 LEU 21 HD21 LEU 21 -0.797 -2.985 3.709 174 HD22 LEU 21 HD22 LEU 21 -1.950 -2.087 2.723 175 HD23 LEU 21 HD23 LEU 21 -0.429 -1.335 3.205 176 H ARG 22 HN ARG 22 1.680 -3.592 -0.995 177 HA ARG 22 HA ARG 22 3.345 -5.656 0.264 178 HB2 ARG 22 HB2 ARG 22 3.449 -4.672 -2.577 179 HB3 ARG 22 HB1 ARG 22 4.808 -5.481 -1.825 180 HG2 ARG 22 HG2 ARG 22 2.857 -7.257 -1.281 181 HG3 ARG 22 HG1 ARG 22 2.249 -6.558 -2.774 182 HD2 ARG 22 HD2 ARG 22 3.597 -8.451 -3.333 183 HD3 ARG 22 HD1 ARG 22 4.438 -6.991 -3.835 184 HE ARG 22 HE ARG 22 5.384 -7.606 -1.303 185 HH11 ARG 22 HH11 ARG 22 5.298 -9.099 -4.461 186 HH12 ARG 22 HH12 ARG 22 6.780 -9.971 -4.243 187 HH21 ARG 22 HH21 ARG 22 7.352 -8.773 -0.992 188 HH22 ARG 22 HH22 ARG 22 7.949 -9.781 -2.273 189 H ALA 23 HN ALA 23 4.945 -4.905 1.402 190 HA ALA 23 HA ALA 23 5.472 -2.046 1.413 191 HB1 ALA 23 HB1 ALA 23 6.550 -4.196 3.232 192 HB2 ALA 23 HB2 ALA 23 5.085 -3.266 3.538 193 HB3 ALA 23 HB3 ALA 23 6.653 -2.454 3.484 194 H ILE 24 HN ILE 24 6.581 -1.818 -0.513 195 HA ILE 24 HA ILE 24 8.928 -3.376 -1.121 196 HB ILE 24 HB ILE 24 9.197 -1.805 -3.026 197 HG12 ILE 24 HG12 ILE 24 6.531 -0.607 -2.325 198 HG13 ILE 24 HG11 ILE 24 8.010 0.090 -1.672 199 HG21 ILE 24 HG21 ILE 24 6.496 -3.082 -2.648 200 HG22 ILE 24 HG22 ILE 24 7.928 -3.790 -3.396 201 HG23 ILE 24 HG23 ILE 24 7.083 -2.462 -4.192 202 HD11 ILE 24 HD11 ILE 24 7.415 -0.286 -4.594 203 HD12 ILE 24 HD12 ILE 24 8.837 0.496 -3.904 204 HD13 ILE 24 HD13 ILE 24 7.243 1.223 -3.699 205 H ARG 25 HN ARG 25 11.066 -2.381 -1.447 206 HA ARG 25 HA ARG 25 11.482 0.051 0.103 207 HB2 ARG 25 HB2 ARG 25 12.956 -0.817 1.639 208 HB3 ARG 25 HB1 ARG 25 11.829 -2.153 1.472 209 HG2 ARG 25 HG2 ARG 25 14.410 -1.995 -0.064 210 HG3 ARG 25 HG1 ARG 25 14.282 -2.736 1.529 211 HD2 ARG 25 HD2 ARG 25 12.413 -4.161 0.513 212 HD3 ARG 25 HD1 ARG 25 13.011 -3.602 -1.048 213 HE ARG 25 HE ARG 25 14.777 -4.984 0.872 214 HH11 ARG 25 HH11 ARG 25 13.437 -4.652 -2.341 215 HH12 ARG 25 HH12 ARG 25 14.394 -5.932 -3.013 216 HH21 ARG 25 HH21 ARG 25 16.017 -6.681 0.014 217 HH22 ARG 25 HH22 ARG 25 15.846 -7.122 -1.665 218 H VAL 26 HN VAL 26 12.883 1.388 -0.740 219 HA VAL 26 HA VAL 26 14.713 0.418 -2.844 220 HB VAL 26 HB VAL 26 13.195 3.032 -2.680 221 HG11 VAL 26 HG11 VAL 26 15.438 2.252 -4.535 222 HG12 VAL 26 HG12 VAL 26 15.417 3.586 -3.382 223 HG13 VAL 26 HG13 VAL 26 14.366 3.626 -4.799 224 HG21 VAL 26 HG21 VAL 26 12.336 2.353 -4.885 225 HG22 VAL 26 HG22 VAL 26 11.915 1.203 -3.615 226 HG23 VAL 26 HG23 VAL 26 13.221 0.835 -4.743 227 H TYR 27 HN TYR 27 16.799 0.629 -2.213 228 HA TYR 27 HA TYR 27 17.470 1.937 0.194 229 HB2 TYR 27 HB2 TYR 27 19.059 0.695 -1.990 230 HB3 TYR 27 HB1 TYR 27 19.865 1.613 -0.745 231 HD1 TYR 27 HD1 TYR 27 19.868 0.839 1.581 232 HD2 TYR 27 HD2 TYR 27 18.093 -1.478 -1.519 233 HE1 TYR 27 HE1 TYR 27 19.857 -1.126 3.057 234 HE2 TYR 27 HE2 TYR 27 18.077 -3.449 -0.046 235 HH TYR 27 HH TYR 27 19.305 -4.267 1.944 236 H MET 28 HN MET 28 18.370 3.815 0.621 237 HA MET 28 HA MET 28 18.023 5.959 -1.201 238 HB2 MET 28 HB2 MET 28 18.999 5.630 1.600 239 HB3 MET 28 HB1 MET 28 19.390 7.112 0.757 240 HG2 MET 28 HG2 MET 28 16.612 6.039 1.132 241 HG3 MET 28 HG1 MET 28 17.367 7.268 2.134 242 HE1 MET 28 HE1 MET 28 14.574 7.840 0.794 243 HE2 MET 28 HE2 MET 28 14.840 9.470 0.177 244 HE3 MET 28 HE3 MET 28 15.472 9.013 1.757 245 H GLY 29 HN GLY 29 19.478 6.965 -2.476 246 HA2 GLY 29 HA2 GLY 29 21.983 5.631 -2.968 247 HA3 GLY 29 HA1 GLY 29 21.346 7.014 -3.841 248 H ASP 30 HN ASP 30 22.554 6.248 -0.574 249 HA ASP 30 HA ASP 30 24.678 8.131 -0.752 250 HB2 ASP 30 HB2 ASP 30 23.128 9.871 -0.412 251 HB3 ASP 30 HB1 ASP 30 22.207 8.942 0.763 252 H SER 31 HN SER 31 22.514 6.800 1.769 253 HA SER 31 HA SER 31 24.929 5.804 3.123 254 HB2 SER 31 HB2 SER 31 22.193 6.335 4.307 255 HB3 SER 31 HB1 SER 31 23.631 5.837 5.194 256 HG SER 31 HG SER 31 23.516 8.217 3.647 257 H ASP 32 HN ASP 32 23.351 4.087 4.874 258 HA ASP 32 HA ASP 32 23.009 1.829 3.031 259 HB2 ASP 32 HB2 ASP 32 24.559 1.800 5.099 260 HB3 ASP 32 HB1 ASP 32 23.079 1.670 6.038 261 H VAL 33 HN VAL 33 21.306 4.084 4.744 262 HA VAL 33 HA VAL 33 19.066 2.682 5.669 263 HB VAL 33 HB VAL 33 19.497 4.925 6.427 264 HG11 VAL 33 HG11 VAL 33 19.593 6.825 5.096 265 HG12 VAL 33 HG12 VAL 33 18.745 6.045 3.762 266 HG13 VAL 33 HG13 VAL 33 20.415 5.611 4.117 267 HG21 VAL 33 HG21 VAL 33 17.326 5.897 6.277 268 HG22 VAL 33 HG22 VAL 33 17.141 4.142 6.325 269 HG23 VAL 33 HG23 VAL 33 16.978 5.008 4.792 270 H TYR 34 HN TYR 34 17.026 2.458 4.808 271 HA TYR 34 HA TYR 34 16.937 2.521 1.873 272 HB2 TYR 34 HB2 TYR 34 15.293 0.667 2.002 273 HB3 TYR 34 HB1 TYR 34 16.871 0.232 2.637 274 HD1 TYR 34 HD1 TYR 34 17.189 -0.115 5.042 275 HD2 TYR 34 HD2 TYR 34 13.353 0.778 3.439 276 HE1 TYR 34 HE1 TYR 34 16.147 -0.865 7.135 277 HE2 TYR 34 HE2 TYR 34 12.300 0.036 5.532 278 HH TYR 34 HH TYR 34 14.244 -0.886 8.335 279 H THR 35 HN THR 35 14.648 2.507 1.078 280 HA THR 35 HA THR 35 13.019 4.392 2.634 281 HB THR 35 HB THR 35 12.888 4.432 -0.344 282 HG1 THR 35 HG1 THR 35 15.072 4.548 -0.188 283 HG21 THR 35 HG21 THR 35 12.319 6.695 -0.033 284 HG22 THR 35 HG22 THR 35 13.028 6.735 1.582 285 HG23 THR 35 HG23 THR 35 11.525 5.852 1.301 286 H VAL 36 HN VAL 36 11.513 3.001 3.404 287 HA VAL 36 HA VAL 36 10.408 0.938 1.698 288 HB VAL 36 HB VAL 36 10.840 0.318 3.991 289 HG11 VAL 36 HG11 VAL 36 9.547 1.317 5.857 290 HG12 VAL 36 HG12 VAL 36 8.960 2.549 4.740 291 HG13 VAL 36 HG13 VAL 36 10.682 2.436 5.104 292 HG21 VAL 36 HG21 VAL 36 8.683 -0.609 4.613 293 HG22 VAL 36 HG22 VAL 36 8.922 -0.721 2.870 294 HG23 VAL 36 HG23 VAL 36 7.867 0.525 3.536 295 H HIS 37 HN HIS 37 8.556 1.002 0.663 296 HA HIS 37 HA HIS 37 6.688 3.212 1.190 297 HB2 HIS 37 HB2 HIS 37 7.615 2.123 -1.470 298 HB3 HIS 37 HB1 HIS 37 6.215 3.160 -1.290 299 HD2 HIS 37 HD2 HIS 37 10.006 3.363 -1.616 300 HE1 HIS 37 HE1 HIS 37 8.596 7.255 -0.761 301 HE2 HIS 37 HE2 HIS 37 10.521 5.900 -1.688 302 H HIS 38 HN HIS 38 4.498 2.727 0.756 303 HA HIS 38 HA HIS 38 3.937 -0.151 0.813 304 HB2 HIS 38 HB2 HIS 38 2.264 2.167 1.818 305 HB3 HIS 38 HB1 HIS 38 1.774 0.474 1.865 306 HD2 HIS 38 HD2 HIS 38 3.738 3.003 3.922 307 HE1 HIS 38 HE1 HIS 38 4.550 -0.822 5.538 308 HE2 HIS 38 HE2 HIS 38 4.975 1.661 5.773 309 H MET 39 HN MET 39 3.525 -0.843 -1.154 310 HA MET 39 HA MET 39 1.717 0.764 -2.827 311 HB2 MET 39 HB2 MET 39 3.766 0.962 -3.934 312 HB3 MET 39 HB1 MET 39 4.250 -0.681 -3.535 313 HG2 MET 39 HG2 MET 39 1.859 -0.551 -5.208 314 HG3 MET 39 HG1 MET 39 3.281 0.177 -5.955 315 HE1 MET 39 HE1 MET 39 5.581 -2.644 -6.780 316 HE2 MET 39 HE2 MET 39 5.696 -1.161 -5.833 317 HE3 MET 39 HE3 MET 39 4.825 -1.162 -7.374 318 H VAL 40 HN VAL 40 0.060 -0.242 -3.761 319 HA VAL 40 HA VAL 40 -0.608 -2.901 -2.959 320 HB VAL 40 HB VAL 40 -2.542 -1.688 -3.202 321 HG11 VAL 40 HG11 VAL 40 -2.918 -0.060 -5.079 322 HG12 VAL 40 HG12 VAL 40 -1.235 -0.314 -5.535 323 HG13 VAL 40 HG13 VAL 40 -1.629 0.361 -3.953 324 HG21 VAL 40 HG21 VAL 40 -3.660 -2.229 -5.388 325 HG22 VAL 40 HG22 VAL 40 -2.953 -3.609 -4.542 326 HG23 VAL 40 HG23 VAL 40 -2.120 -2.901 -5.924 327 H TRP 41 HN TRP 41 0.054 -4.682 -3.935 328 HA TRP 41 HA TRP 41 1.606 -4.475 -6.385 329 HB2 TRP 41 HB2 TRP 41 2.496 -5.661 -4.420 330 HB3 TRP 41 HB1 TRP 41 1.154 -6.805 -4.508 331 HD1 TRP 41 HD1 TRP 41 1.479 -8.863 -6.073 332 HE1 TRP 41 HE1 TRP 41 3.354 -9.644 -7.665 333 HE3 TRP 41 HE3 TRP 41 4.355 -4.641 -6.065 334 HZ2 TRP 41 HZ2 TRP 41 5.736 -8.602 -8.763 335 HZ3 TRP 41 HZ3 TRP 41 6.419 -4.615 -7.409 336 HH2 TRP 41 HH2 TRP 41 7.092 -6.554 -8.728 337 H HIS 42 HN HIS 42 -1.509 -5.653 -5.407 338 HA HIS 42 HA HIS 42 -2.136 -6.239 -8.150 339 HB2 HIS 42 HB2 HIS 42 -1.028 -8.345 -7.443 340 HB3 HIS 42 HB1 HIS 42 -2.188 -8.505 -6.131 341 HD2 HIS 42 HD2 HIS 42 -1.946 -9.024 -9.968 342 HE1 HIS 42 HE1 HIS 42 -5.717 -10.404 -8.638 343 HE2 HIS 42 HE2 HIS 42 -4.198 -10.119 -10.646 344 H VAL 43 HN VAL 43 -4.304 -6.314 -8.545 345 HA VAL 43 HA VAL 43 -6.114 -5.999 -6.251 346 HB VAL 43 HB VAL 43 -6.402 -4.520 -8.876 347 HG11 VAL 43 HG11 VAL 43 -8.497 -4.957 -7.733 348 HG12 VAL 43 HG12 VAL 43 -8.104 -3.240 -7.663 349 HG13 VAL 43 HG13 VAL 43 -7.850 -4.259 -6.247 350 HG21 VAL 43 HG21 VAL 43 -4.448 -3.676 -7.672 351 HG22 VAL 43 HG22 VAL 43 -5.435 -3.442 -6.231 352 HG23 VAL 43 HG23 VAL 43 -5.758 -2.493 -7.680 353 H GLU 44 HN GLU 44 -7.628 -7.570 -6.287 354 HA GLU 44 HA GLU 44 -7.811 -9.525 -8.223 355 HB2 GLU 44 HB2 GLU 44 -9.941 -8.620 -6.283 356 HB3 GLU 44 HB1 GLU 44 -9.834 -10.173 -7.061 357 HG2 GLU 44 HG2 GLU 44 -7.848 -9.086 -5.099 358 HG3 GLU 44 HG1 GLU 44 -9.113 -10.254 -4.732 359 H ASP 45 HN ASP 45 -8.899 -9.720 -10.080 360 HA ASP 45 HA ASP 45 -9.912 -7.465 -11.404 361 HB2 ASP 45 HB2 ASP 45 -9.480 -10.254 -12.016 362 HB3 ASP 45 HB1 ASP 45 -11.027 -9.717 -12.667 363 H GLY 46 HN GLY 46 -11.721 -6.423 -11.043 364 HA2 GLY 46 HA2 GLY 46 -14.012 -6.097 -10.849 365 HA3 GLY 46 HA1 GLY 46 -14.223 -7.839 -10.743 366 H GLY 47 HN GLY 47 -11.841 -6.712 -8.639 367 HA2 GLY 47 HA2 GLY 47 -13.432 -7.366 -6.346 368 HA3 GLY 47 HA1 GLY 47 -11.763 -6.811 -6.336 369 HA PRO 48 HA PRO 48 -14.943 -3.527 -4.798 370 HB2 PRO 48 HB2 PRO 48 -13.048 -3.816 -2.515 371 HB3 PRO 48 HB1 PRO 48 -14.792 -3.530 -2.471 372 HG2 PRO 48 HG2 PRO 48 -13.891 -5.903 -1.894 373 HG3 PRO 48 HG1 PRO 48 -15.222 -5.757 -3.049 374 HD2 PRO 48 HD2 PRO 48 -12.320 -6.162 -3.614 375 HD3 PRO 48 HD1 PRO 48 -13.715 -7.026 -4.259 376 H ALA 49 HN ALA 49 -11.526 -3.865 -4.074 377 HA ALA 49 HA ALA 49 -10.887 -1.141 -4.126 378 HB1 ALA 49 HB1 ALA 49 -9.109 -3.504 -4.729 379 HB2 ALA 49 HB2 ALA 49 -9.366 -2.759 -3.153 380 HB3 ALA 49 HB3 ALA 49 -8.539 -1.862 -4.428 381 H SER 50 HN SER 50 -10.992 -3.509 -6.710 382 HA SER 50 HA SER 50 -9.829 -1.912 -8.726 383 HB2 SER 50 HB2 SER 50 -10.464 -4.471 -8.664 384 HB3 SER 50 HB1 SER 50 -11.989 -3.896 -9.329 385 HG SER 50 HG SER 50 -9.539 -4.128 -10.525 386 H GLU 51 HN GLU 51 -13.055 -2.333 -7.484 387 HA GLU 51 HA GLU 51 -14.377 -0.753 -9.455 388 HB2 GLU 51 HB2 GLU 51 -15.285 -1.458 -6.654 389 HB3 GLU 51 HB1 GLU 51 -16.312 -0.855 -7.950 390 HG2 GLU 51 HG2 GLU 51 -15.662 -2.901 -9.256 391 HG3 GLU 51 HG1 GLU 51 -14.917 -3.504 -7.780 392 H ALA 52 HN ALA 52 -12.983 -0.163 -6.335 393 HA ALA 52 HA ALA 52 -13.868 2.502 -6.008 394 HB1 ALA 52 HB1 ALA 52 -11.421 1.193 -4.844 395 HB2 ALA 52 HB2 ALA 52 -13.052 1.026 -4.196 396 HB3 ALA 52 HB3 ALA 52 -12.271 2.607 -4.220 397 H GLY 53 HN GLY 53 -11.274 1.032 -7.787 398 HA2 GLY 53 HA2 GLY 53 -10.429 2.352 -9.665 399 HA3 GLY 53 HA1 GLY 53 -10.371 3.712 -8.564 400 H LEU 54 HN LEU 54 -9.355 1.094 -6.826 401 HA LEU 54 HA LEU 54 -6.670 2.020 -6.748 402 HB2 LEU 54 HB2 LEU 54 -8.264 0.397 -5.183 403 HB3 LEU 54 HB1 LEU 54 -7.062 -0.705 -5.798 404 HG LEU 54 HG LEU 54 -6.732 1.626 -3.958 405 HD11 LEU 54 HD11 LEU 54 -6.945 -0.679 -3.106 406 HD12 LEU 54 HD12 LEU 54 -5.391 0.064 -2.709 407 HD13 LEU 54 HD13 LEU 54 -5.498 -1.121 -4.014 408 HD21 LEU 54 HD21 LEU 54 -5.164 2.218 -5.640 409 HD22 LEU 54 HD22 LEU 54 -4.625 0.551 -5.816 410 HD23 LEU 54 HD23 LEU 54 -4.258 1.447 -4.341 411 H ARG 55 HN ARG 55 -4.937 1.371 -7.789 412 HA ARG 55 HA ARG 55 -5.151 -0.890 -9.667 413 HB2 ARG 55 HB2 ARG 55 -3.417 1.551 -10.038 414 HB3 ARG 55 HB1 ARG 55 -3.804 0.315 -11.229 415 HG2 ARG 55 HG2 ARG 55 -5.919 2.054 -10.017 416 HG3 ARG 55 HG1 ARG 55 -4.984 2.559 -11.420 417 HD2 ARG 55 HD2 ARG 55 -5.833 0.834 -12.751 418 HD3 ARG 55 HD1 ARG 55 -6.376 -0.088 -11.351 419 HE ARG 55 HE ARG 55 -7.657 2.484 -11.918 420 HH11 ARG 55 HH11 ARG 55 -7.811 -1.015 -11.853 421 HH12 ARG 55 HH12 ARG 55 -9.540 -1.068 -11.977 422 HH21 ARG 55 HH21 ARG 55 -9.930 2.417 -12.113 423 HH22 ARG 55 HH22 ARG 55 -10.749 0.889 -12.119 424 H GLN 56 HN GLN 56 -2.867 -1.720 -10.235 425 HA GLN 56 HA GLN 56 -1.407 -1.912 -7.701 426 HB2 GLN 56 HB2 GLN 56 -0.320 -3.766 -9.556 427 HB3 GLN 56 HB1 GLN 56 -1.224 -4.088 -8.095 428 HG2 GLN 56 HG2 GLN 56 -3.110 -4.600 -9.178 429 HG3 GLN 56 HG1 GLN 56 -2.824 -3.430 -10.442 430 HE21 GLN 56 HE21 GLN 56 -1.442 -3.976 -12.183 431 HE22 GLN 56 HE22 GLN 56 -1.133 -5.629 -12.573 432 H GLY 57 HN GLY 57 0.693 -1.373 -7.508 433 HA2 GLY 57 HA2 GLY 57 2.838 -0.817 -8.333 434 HA3 GLY 57 HA1 GLY 57 2.135 -0.502 -9.905 435 H ASP 58 HN ASP 58 0.229 0.887 -7.526 436 HA ASP 58 HA ASP 58 1.198 3.546 -8.166 437 HB2 ASP 58 HB2 ASP 58 -1.008 2.621 -6.307 438 HB3 ASP 58 HB1 ASP 58 -0.658 4.300 -6.678 439 H LEU 59 HN LEU 59 0.581 4.761 -5.667 440 HA LEU 59 HA LEU 59 2.388 3.549 -3.767 441 HB2 LEU 59 HB2 LEU 59 2.775 6.146 -5.137 442 HB3 LEU 59 HB1 LEU 59 3.052 6.140 -3.405 443 HG LEU 59 HG LEU 59 4.465 4.473 -5.469 444 HD11 LEU 59 HD11 LEU 59 5.164 6.827 -5.342 445 HD12 LEU 59 HD12 LEU 59 6.431 5.732 -4.791 446 HD13 LEU 59 HD13 LEU 59 5.472 6.630 -3.617 447 HD21 LEU 59 HD21 LEU 59 4.567 4.398 -2.467 448 HD22 LEU 59 HD22 LEU 59 5.885 3.800 -3.473 449 HD23 LEU 59 HD23 LEU 59 4.287 3.064 -3.587 450 H ILE 60 HN ILE 60 1.193 3.340 -1.996 451 HA ILE 60 HA ILE 60 -1.038 5.116 -1.549 452 HB ILE 60 HB ILE 60 0.004 2.814 0.120 453 HG12 ILE 60 HG12 ILE 60 -2.555 2.903 -1.478 454 HG13 ILE 60 HG11 ILE 60 -1.035 2.386 -2.204 455 HG21 ILE 60 HG21 ILE 60 -2.457 4.525 0.442 456 HG22 ILE 60 HG22 ILE 60 -1.119 4.345 1.576 457 HG23 ILE 60 HG23 ILE 60 -2.207 2.990 1.275 458 HD11 ILE 60 HD11 ILE 60 -2.378 0.495 -1.477 459 HD12 ILE 60 HD12 ILE 60 -2.372 1.114 0.175 460 HD13 ILE 60 HD13 ILE 60 -0.864 0.588 -0.574 461 H THR 61 HN THR 61 -0.534 7.069 -0.836 462 HA THR 61 HA THR 61 1.744 7.445 0.918 463 HB THR 61 HB THR 61 1.651 9.018 -0.843 464 HG1 THR 61 HG1 THR 61 0.548 10.478 1.326 465 HG21 THR 61 HG21 THR 61 -0.712 8.756 -1.450 466 HG22 THR 61 HG22 THR 61 -0.267 10.458 -1.302 467 HG23 THR 61 HG23 THR 61 -1.179 9.672 -0.013 468 H HIS 62 HN HIS 62 -1.770 7.578 1.079 469 HA HIS 62 HA HIS 62 -1.519 7.821 3.986 470 HB2 HIS 62 HB2 HIS 62 -3.424 9.570 2.422 471 HB3 HIS 62 HB1 HIS 62 -3.340 9.451 4.163 472 HD2 HIS 62 HD2 HIS 62 -1.484 11.002 5.393 473 HE1 HIS 62 HE1 HIS 62 0.104 12.692 1.856 474 HE2 HIS 62 HE2 HIS 62 -0.099 12.939 4.367 475 H VAL 63 HN VAL 63 -3.103 6.866 5.140 476 HA VAL 63 HA VAL 63 -5.178 5.419 3.627 477 HB VAL 63 HB VAL 63 -3.678 4.482 6.083 478 HG11 VAL 63 HG11 VAL 63 -5.883 3.075 4.582 479 HG12 VAL 63 HG12 VAL 63 -6.093 3.914 6.118 480 HG13 VAL 63 HG13 VAL 63 -5.046 2.500 6.023 481 HG21 VAL 63 HG21 VAL 63 -2.435 4.237 3.972 482 HG22 VAL 63 HG22 VAL 63 -3.785 3.324 3.297 483 HG23 VAL 63 HG23 VAL 63 -2.878 2.675 4.663 484 H ASN 64 HN ASN 64 -7.112 6.229 4.104 485 HA ASN 64 HA ASN 64 -8.871 7.115 5.237 486 HB2 ASN 64 HB2 ASN 64 -7.344 6.175 7.678 487 HB3 ASN 64 HB1 ASN 64 -8.983 6.813 7.720 488 HD21 ASN 64 HD21 ASN 64 -7.862 4.193 8.433 489 HD22 ASN 64 HD22 ASN 64 -8.759 3.036 7.519 490 H GLY 65 HN GLY 65 -6.248 8.560 4.738 491 HA2 GLY 65 HA2 GLY 65 -5.872 10.871 4.786 492 HA3 GLY 65 HA1 GLY 65 -7.004 11.005 6.125 493 H GLU 66 HN GLU 66 -4.759 8.491 6.529 494 HA GLU 66 HA GLU 66 -3.260 10.142 8.441 495 HB2 GLU 66 HB2 GLU 66 -3.368 7.137 8.356 496 HB3 GLU 66 HB1 GLU 66 -2.856 8.160 9.690 497 HG2 GLU 66 HG2 GLU 66 -5.661 8.123 8.633 498 HG3 GLU 66 HG1 GLU 66 -5.103 7.057 9.911 499 HA PRO 67 HA PRO 67 0.288 9.632 5.770 500 HB2 PRO 67 HB2 PRO 67 1.901 10.345 8.115 501 HB3 PRO 67 HB1 PRO 67 1.719 11.209 6.586 502 HG2 PRO 67 HG2 PRO 67 0.671 12.135 8.892 503 HG3 PRO 67 HG1 PRO 67 -0.108 12.396 7.325 504 HD2 PRO 67 HD2 PRO 67 -0.774 10.423 9.452 505 HD3 PRO 67 HD1 PRO 67 -1.859 11.385 8.435 506 H VAL 68 HN VAL 68 1.032 7.663 5.335 507 HA VAL 68 HA VAL 68 1.747 5.907 7.587 508 HB VAL 68 HB VAL 68 1.409 4.020 6.096 509 HG11 VAL 68 HG11 VAL 68 -1.008 4.159 5.885 510 HG12 VAL 68 HG12 VAL 68 -0.938 5.914 6.048 511 HG13 VAL 68 HG13 VAL 68 -0.478 4.882 7.403 512 HG21 VAL 68 HG21 VAL 68 0.477 4.299 3.861 513 HG22 VAL 68 HG22 VAL 68 2.046 5.095 3.988 514 HG23 VAL 68 HG23 VAL 68 0.566 6.053 4.031 515 H HIS 69 HN HIS 69 3.279 7.934 5.694 516 HA HIS 69 HA HIS 69 5.328 6.341 4.516 517 HB2 HIS 69 HB2 HIS 69 4.608 8.716 3.865 518 HB3 HIS 69 HB1 HIS 69 5.563 9.261 5.236 519 HD2 HIS 69 HD2 HIS 69 8.354 8.076 4.967 520 HE1 HIS 69 HE1 HIS 69 8.144 8.812 0.806 521 HE2 HIS 69 HE2 HIS 69 9.692 8.508 2.789 522 H GLY 70 HN GLY 70 6.078 4.991 6.168 523 HA2 GLY 70 HA2 GLY 70 8.351 5.264 7.390 524 HA3 GLY 70 HA1 GLY 70 7.390 6.283 8.452 525 H LEU 71 HN LEU 71 5.005 4.539 8.089 526 HA LEU 71 HA LEU 71 5.380 2.872 10.318 527 HB2 LEU 71 HB2 LEU 71 3.289 2.917 8.169 528 HB3 LEU 71 HB1 LEU 71 3.223 1.845 9.542 529 HG LEU 71 HG LEU 71 3.170 4.820 9.648 530 HD11 LEU 71 HD11 LEU 71 1.164 4.102 8.756 531 HD12 LEU 71 HD12 LEU 71 0.841 4.350 10.475 532 HD13 LEU 71 HD13 LEU 71 1.086 2.714 9.844 533 HD21 LEU 71 HD21 LEU 71 2.596 4.504 12.026 534 HD22 LEU 71 HD22 LEU 71 4.226 3.951 11.641 535 HD23 LEU 71 HD23 LEU 71 2.922 2.782 11.840 536 H VAL 72 HN VAL 72 4.907 0.607 10.385 537 HA VAL 72 HA VAL 72 6.523 -0.909 8.555 538 HB VAL 72 HB VAL 72 5.793 -2.854 9.952 539 HG11 VAL 72 HG11 VAL 72 6.933 -2.092 12.046 540 HG12 VAL 72 HG12 VAL 72 6.967 -0.469 11.362 541 HG13 VAL 72 HG13 VAL 72 7.829 -1.782 10.559 542 HG21 VAL 72 HG21 VAL 72 3.850 -0.900 10.865 543 HG22 VAL 72 HG22 VAL 72 4.735 -1.631 12.212 544 HG23 VAL 72 HG23 VAL 72 3.875 -2.657 11.065 545 H HIS 73 HN HIS 73 5.481 -3.048 7.755 546 HA HIS 73 HA HIS 73 3.456 -2.401 5.932 547 HB2 HIS 73 HB2 HIS 73 5.100 -4.234 5.639 548 HB3 HIS 73 HB1 HIS 73 4.277 -5.145 6.897 549 HD1 HIS 73 HD1 HIS 73 3.097 -3.427 3.685 550 HD2 HIS 73 HD2 HIS 73 2.711 -6.993 5.784 551 HE1 HIS 73 HE1 HIS 73 1.562 -4.895 2.319 552 H THR 74 HN THR 74 3.326 -3.995 9.074 553 HA THR 74 HA THR 74 0.563 -4.666 8.844 554 HB THR 74 HB THR 74 0.798 -5.098 11.338 555 HG1 THR 74 HG1 THR 74 2.609 -4.444 12.230 556 HG21 THR 74 HG21 THR 74 2.609 -6.460 9.345 557 HG22 THR 74 HG22 THR 74 0.936 -6.881 9.718 558 HG23 THR 74 HG23 THR 74 2.193 -7.116 10.930 559 H GLU 75 HN GLU 75 2.233 -1.811 10.132 560 HA GLU 75 HA GLU 75 0.118 -0.879 11.705 561 HB2 GLU 75 HB2 GLU 75 2.422 0.537 10.390 562 HB3 GLU 75 HB1 GLU 75 1.144 1.409 11.151 563 HG2 GLU 75 HG2 GLU 75 2.535 -0.753 12.618 564 HG3 GLU 75 HG1 GLU 75 3.171 0.894 12.575 565 H VAL 76 HN VAL 76 0.949 -0.332 8.341 566 HA VAL 76 HA VAL 76 -1.291 1.368 7.851 567 HB VAL 76 HB VAL 76 -0.688 1.307 5.534 568 HG11 VAL 76 HG11 VAL 76 0.785 2.517 7.149 569 HG12 VAL 76 HG12 VAL 76 1.575 2.064 5.636 570 HG13 VAL 76 HG13 VAL 76 1.875 1.133 7.103 571 HG21 VAL 76 HG21 VAL 76 0.947 -0.206 4.594 572 HG22 VAL 76 HG22 VAL 76 -0.365 -1.132 5.324 573 HG23 VAL 76 HG23 VAL 76 1.178 -0.976 6.163 574 H VAL 77 HN VAL 77 -0.654 -2.089 7.543 575 HA VAL 77 HA VAL 77 -2.952 -2.842 6.129 576 HB VAL 77 HB VAL 77 -1.158 -4.282 8.068 577 HG11 VAL 77 HG11 VAL 77 -3.462 -5.151 8.411 578 HG12 VAL 77 HG12 VAL 77 -2.330 -6.342 7.770 579 HG13 VAL 77 HG13 VAL 77 -3.508 -5.580 6.699 580 HG21 VAL 77 HG21 VAL 77 -0.628 -5.619 6.088 581 HG22 VAL 77 HG22 VAL 77 -0.353 -3.901 5.806 582 HG23 VAL 77 HG23 VAL 77 -1.789 -4.684 5.146 583 H GLU 78 HN GLU 78 -2.368 -2.663 9.624 584 HA GLU 78 HA GLU 78 -4.953 -3.308 10.450 585 HB2 GLU 78 HB2 GLU 78 -2.889 -1.604 11.737 586 HB3 GLU 78 HB1 GLU 78 -4.366 -2.091 12.533 587 HG2 GLU 78 HG2 GLU 78 -3.645 -4.425 11.883 588 HG3 GLU 78 HG1 GLU 78 -2.048 -3.737 11.703 589 H LEU 79 HN LEU 79 -3.418 -0.247 9.909 590 HA LEU 79 HA LEU 79 -5.382 1.564 10.500 591 HB2 LEU 79 HB2 LEU 79 -2.992 1.618 9.075 592 HB3 LEU 79 HB1 LEU 79 -4.186 2.217 7.940 593 HG LEU 79 HG LEU 79 -4.894 3.834 9.783 594 HD11 LEU 79 HD11 LEU 79 -2.181 3.090 10.865 595 HD12 LEU 79 HD12 LEU 79 -3.718 2.647 11.604 596 HD13 LEU 79 HD13 LEU 79 -3.259 4.345 11.478 597 HD21 LEU 79 HD21 LEU 79 -3.880 5.010 8.166 598 HD22 LEU 79 HD22 LEU 79 -2.543 3.862 8.031 599 HD23 LEU 79 HD23 LEU 79 -2.539 5.081 9.310 600 H ILE 80 HN ILE 80 -4.921 0.109 7.255 601 HA ILE 80 HA ILE 80 -7.219 0.974 6.031 602 HB ILE 80 HB ILE 80 -5.803 -1.674 5.805 603 HG12 ILE 80 HG12 ILE 80 -5.516 0.588 3.895 604 HG13 ILE 80 HG11 ILE 80 -4.667 0.655 5.423 605 HG21 ILE 80 HG21 ILE 80 -7.944 -1.930 4.842 606 HG22 ILE 80 HG22 ILE 80 -6.788 -1.747 3.521 607 HG23 ILE 80 HG23 ILE 80 -7.821 -0.394 3.986 608 HD11 ILE 80 HD11 ILE 80 -3.479 -1.305 4.959 609 HD12 ILE 80 HD12 ILE 80 -3.355 -0.274 3.532 610 HD13 ILE 80 HD13 ILE 80 -4.457 -1.655 3.533 611 H LEU 81 HN LEU 81 -6.732 -2.088 7.751 612 HA LEU 81 HA LEU 81 -9.298 -3.101 7.627 613 HB2 LEU 81 HB2 LEU 81 -7.196 -3.359 9.761 614 HB3 LEU 81 HB1 LEU 81 -8.672 -4.300 9.769 615 HG LEU 81 HG LEU 81 -6.627 -4.347 7.550 616 HD11 LEU 81 HD11 LEU 81 -6.024 -6.552 8.412 617 HD12 LEU 81 HD12 LEU 81 -7.131 -6.326 9.765 618 HD13 LEU 81 HD13 LEU 81 -5.716 -5.286 9.601 619 HD21 LEU 81 HD21 LEU 81 -7.867 -6.354 6.831 620 HD22 LEU 81 HD22 LEU 81 -8.843 -4.888 6.756 621 HD23 LEU 81 HD23 LEU 81 -9.071 -6.031 8.077 622 H LYS 82 HN LYS 82 -7.987 -0.863 10.057 623 HA LYS 82 HA LYS 82 -10.182 -0.844 11.768 624 HB2 LYS 82 HB2 LYS 82 -8.116 1.271 11.266 625 HB3 LYS 82 HB1 LYS 82 -9.241 1.269 12.621 626 HG2 LYS 82 HG2 LYS 82 -8.334 -1.017 13.170 627 HG3 LYS 82 HG1 LYS 82 -7.068 -0.678 12.017 628 HD2 LYS 82 HD2 LYS 82 -7.503 1.463 13.971 629 HD3 LYS 82 HD1 LYS 82 -6.961 -0.060 14.677 630 HE2 LYS 82 HE2 LYS 82 -5.117 -0.067 12.958 631 HE3 LYS 82 HE1 LYS 82 -5.603 1.576 12.543 632 HZ1 LYS 82 HZ1 LYS 82 -5.023 2.337 14.683 633 HZ2 LYS 82 HZ2 LYS 82 -3.732 1.366 14.184 634 HZ3 LYS 82 HZ3 LYS 82 -4.856 0.771 15.296 635 H SER 83 HN SER 83 -9.800 0.751 8.711 636 HA SER 83 HA SER 83 -11.306 3.025 8.924 637 HB2 SER 83 HB2 SER 83 -11.676 2.887 6.562 638 HB3 SER 83 HB1 SER 83 -10.094 2.181 6.886 639 HG SER 83 HG SER 83 -12.333 1.037 5.836 640 H GLY 84 HN GLY 84 -12.623 -0.203 8.125 641 HA2 GLY 84 HA2 GLY 84 -14.669 -1.110 8.728 642 HA3 GLY 84 HA1 GLY 84 -15.042 0.376 9.584 643 H ASN 85 HN ASN 85 -15.989 -1.535 7.149 644 HA ASN 85 HA ASN 85 -17.607 -1.359 5.576 645 HB2 ASN 85 HB2 ASN 85 -18.933 0.140 6.808 646 HB3 ASN 85 HB1 ASN 85 -17.772 1.451 6.637 647 HD21 ASN 85 HD21 ASN 85 -20.060 -0.544 4.867 648 HD22 ASN 85 HD22 ASN 85 -20.403 0.628 3.648 649 H LYS 86 HN LYS 86 -15.553 1.534 5.421 650 HA LYS 86 HA LYS 86 -14.708 0.764 2.776 651 HB2 LYS 86 HB2 LYS 86 -15.106 2.951 1.837 652 HB3 LYS 86 HB1 LYS 86 -16.609 2.266 2.394 653 HG2 LYS 86 HG2 LYS 86 -16.144 3.575 4.563 654 HG3 LYS 86 HG1 LYS 86 -15.011 4.467 3.556 655 HD2 LYS 86 HD2 LYS 86 -16.949 4.829 1.957 656 HD3 LYS 86 HD1 LYS 86 -17.980 4.233 3.261 657 HE2 LYS 86 HE2 LYS 86 -17.026 6.000 4.734 658 HE3 LYS 86 HE1 LYS 86 -16.170 6.642 3.332 659 HZ1 LYS 86 HZ1 LYS 86 -18.309 7.769 3.853 660 HZ2 LYS 86 HZ2 LYS 86 -19.118 6.338 3.459 661 HZ3 LYS 86 HZ3 LYS 86 -18.220 7.153 2.280 662 H VAL 87 HN VAL 87 -12.916 2.067 2.094 663 HA VAL 87 HA VAL 87 -11.513 3.435 4.272 664 HB VAL 87 HB VAL 87 -10.718 1.182 4.445 665 HG11 VAL 87 HG11 VAL 87 -11.355 0.379 2.256 666 HG12 VAL 87 HG12 VAL 87 -9.653 0.019 2.564 667 HG13 VAL 87 HG13 VAL 87 -10.092 1.359 1.503 668 HG21 VAL 87 HG21 VAL 87 -9.009 2.805 4.825 669 HG22 VAL 87 HG22 VAL 87 -8.738 3.013 3.096 670 HG23 VAL 87 HG23 VAL 87 -8.288 1.502 3.880 671 H ALA 88 HN ALA 88 -10.485 5.207 3.630 672 HA ALA 88 HA ALA 88 -10.438 5.808 0.776 673 HB1 ALA 88 HB1 ALA 88 -11.396 7.479 2.278 674 HB2 ALA 88 HB2 ALA 88 -9.976 8.094 1.432 675 HB3 ALA 88 HB3 ALA 88 -9.853 7.602 3.124 676 H ILE 89 HN ILE 89 -8.721 5.176 -0.253 677 HA ILE 89 HA ILE 89 -6.122 5.219 1.119 678 HB ILE 89 HB ILE 89 -6.806 3.733 -1.414 679 HG12 ILE 89 HG12 ILE 89 -7.344 3.072 1.410 680 HG13 ILE 89 HG11 ILE 89 -8.086 2.471 -0.060 681 HG21 ILE 89 HG21 ILE 89 -4.439 4.230 -1.036 682 HG22 ILE 89 HG22 ILE 89 -4.793 2.500 -0.979 683 HG23 ILE 89 HG23 ILE 89 -4.534 3.397 0.515 684 HD11 ILE 89 HD11 ILE 89 -7.042 0.653 1.083 685 HD12 ILE 89 HD12 ILE 89 -5.509 1.525 1.154 686 HD13 ILE 89 HD13 ILE 89 -6.146 0.987 -0.399 687 H SER 90 HN SER 90 -4.939 6.965 0.652 688 HA SER 90 HA SER 90 -5.410 8.488 -1.746 689 HB2 SER 90 HB2 SER 90 -3.328 8.803 0.428 690 HB3 SER 90 HB1 SER 90 -3.640 9.965 -0.859 691 HG SER 90 HG SER 90 -5.761 9.128 0.774 692 H THR 91 HN THR 91 -4.694 7.643 -3.595 693 HA THR 91 HA THR 91 -2.092 6.307 -3.594 694 HB THR 91 HB THR 91 -2.852 5.529 -5.917 695 HG1 THR 91 HG1 THR 91 -4.598 7.135 -6.003 696 HG21 THR 91 HG21 THR 91 -2.867 3.946 -4.141 697 HG22 THR 91 HG22 THR 91 -4.437 3.814 -4.946 698 HG23 THR 91 HG23 THR 91 -4.295 4.678 -3.411 699 H THR 92 HN THR 92 -0.491 6.874 -4.968 700 HA THR 92 HA THR 92 -0.823 9.114 -6.802 701 HB THR 92 HB THR 92 -0.160 10.281 -4.817 702 HG1 THR 92 HG1 THR 92 2.312 9.843 -6.156 703 HG21 THR 92 HG21 THR 92 0.566 8.333 -3.512 704 HG22 THR 92 HG22 THR 92 1.741 9.650 -3.433 705 HG23 THR 92 HG23 THR 92 2.048 8.254 -4.466 706 HA PRO 93 HA PRO 93 1.762 6.753 -9.538 707 HB2 PRO 93 HB2 PRO 93 3.541 9.141 -9.583 708 HB3 PRO 93 HB1 PRO 93 2.941 8.180 -10.932 709 HG2 PRO 93 HG2 PRO 93 1.830 10.530 -10.373 710 HG3 PRO 93 HG1 PRO 93 0.819 9.152 -10.846 711 HD2 PRO 93 HD2 PRO 93 1.203 10.383 -8.162 712 HD3 PRO 93 HD1 PRO 93 -0.225 9.579 -8.843 713 H LEU 94 HN LEU 94 3.582 5.558 -9.583 714 HA LEU 94 HA LEU 94 5.376 5.768 -7.266 715 HB2 LEU 94 HB2 LEU 94 4.302 3.656 -7.155 716 HB3 LEU 94 HB1 LEU 94 4.455 3.400 -8.884 717 HG LEU 94 HG LEU 94 6.950 3.211 -8.555 718 HD11 LEU 94 HD11 LEU 94 6.172 3.094 -5.647 719 HD12 LEU 94 HD12 LEU 94 7.125 4.358 -6.425 720 HD13 LEU 94 HD13 LEU 94 7.763 2.718 -6.310 721 HD21 LEU 94 HD21 LEU 94 6.856 0.922 -7.756 722 HD22 LEU 94 HD22 LEU 94 5.491 1.255 -8.822 723 HD23 LEU 94 HD23 LEU 94 5.253 1.202 -7.076 724 H GLU 95 HN GLU 95 6.598 7.361 -8.358 725 HA GLU 95 HA GLU 95 8.089 6.390 -10.684 726 HB2 GLU 95 HB2 GLU 95 7.928 9.193 -9.620 727 HB3 GLU 95 HB1 GLU 95 8.652 8.693 -11.135 728 HG2 GLU 95 HG2 GLU 95 5.718 8.423 -10.470 729 HG3 GLU 95 HG1 GLU 95 6.430 9.726 -11.425 730 H ASN 96 HN ASN 96 10.085 5.837 -10.462 731 HA ASN 96 HA ASN 96 11.814 6.976 -8.447 732 HB2 ASN 96 HB2 ASN 96 10.547 4.922 -7.457 733 HB3 ASN 96 HB1 ASN 96 11.607 3.973 -8.496 734 HD21 ASN 96 HD21 ASN 96 13.963 4.401 -8.245 735 HD22 ASN 96 HD22 ASN 96 14.556 4.761 -6.657 736 H2 PRO 97 HT1 PRO 97 16.419 -6.326 -5.687 737 H3 PRO 97 HT2 PRO 97 17.147 -5.193 -6.617 738 HA PRO 97 HA PRO 97 15.397 -4.745 -7.814 739 HB2 PRO 97 HB2 PRO 97 13.698 -7.053 -7.434 740 HB3 PRO 97 HB1 PRO 97 14.347 -6.389 -8.940 741 HG2 PRO 97 HG2 PRO 97 15.394 -8.556 -7.251 742 HG3 PRO 97 HG1 PRO 97 15.696 -8.217 -8.963 743 HD2 PRO 97 HD2 PRO 97 17.605 -7.830 -7.127 744 HD3 PRO 97 HD1 PRO 97 17.416 -6.713 -8.491 745 H PHE 98 HN PHE 98 13.705 -3.571 -7.013 746 HA PHE 98 HA PHE 98 13.271 -3.629 -4.193 747 HB2 PHE 98 HB2 PHE 98 11.944 -1.699 -4.478 748 HB3 PHE 98 HB1 PHE 98 13.192 -1.573 -5.708 749 HD1 PHE 98 HD1 PHE 98 12.523 -2.501 -8.074 750 HD2 PHE 98 HD2 PHE 98 9.745 -1.356 -5.062 751 HE1 PHE 98 HE1 PHE 98 10.788 -2.200 -9.791 752 HE2 PHE 98 HE2 PHE 98 8.005 -1.049 -6.776 753 HZ PHE 98 HZ PHE 98 8.528 -1.475 -9.144 754 H ASP 99 HN ASP 99 11.863 -5.221 -6.831 755 HA ASP 99 HA ASP 99 9.344 -5.776 -5.484 756 HB2 ASP 99 HB2 ASP 99 8.856 -7.090 -7.577 757 HB3 ASP 99 HB1 ASP 99 9.145 -5.372 -7.829 758 H GLU 100 HN GLU 100 12.011 -6.775 -4.528 759 HA GLU 100 HA GLU 100 12.060 -9.601 -4.908 760 HB2 GLU 100 HB2 GLU 100 13.412 -7.682 -3.052 761 HB3 GLU 100 HB1 GLU 100 13.471 -9.401 -2.693 762 HG2 GLU 100 HG2 GLU 100 14.662 -9.874 -4.668 763 HG3 GLU 100 HG1 GLU 100 14.330 -8.275 -5.339 764 H ASP 101 HN ASP 101 12.032 -11.001 -2.798 765 HA ASP 101 HA ASP 101 9.546 -10.363 -1.344 766 HB2 ASP 101 HB2 ASP 101 9.374 -12.838 -0.971 767 HB3 ASP 101 HB1 ASP 101 9.243 -12.357 -2.658 768 H GLN 102 HN GLN 102 12.726 -10.229 -1.024 769 HA GLN 102 HA GLN 102 13.271 -11.550 1.415 770 HB2 GLN 102 HB2 GLN 102 14.692 -9.166 0.210 771 HB3 GLN 102 HB1 GLN 102 15.339 -10.273 1.415 772 HG2 GLN 102 HG2 GLN 102 14.518 -11.106 -1.357 773 HG3 GLN 102 HG1 GLN 102 16.161 -10.653 -0.906 774 HE21 GLN 102 HE21 GLN 102 13.682 -13.075 -0.669 775 HE22 GLN 102 HE22 GLN 102 14.676 -14.294 0.055 776 H HIS 103 HN HIS 103 13.532 -8.036 1.036 777 HA HIS 103 HA HIS 103 12.493 -7.732 3.743 778 HB2 HIS 103 HB2 HIS 103 13.558 -5.531 1.978 779 HB3 HIS 103 HB1 HIS 103 13.413 -5.540 3.729 780 HD2 HIS 103 HD2 HIS 103 15.208 -7.607 4.917 781 HE1 HIS 103 HE1 HIS 103 18.006 -6.975 1.806 782 HE2 HIS 103 HE2 HIS 103 17.686 -7.816 4.175 783 H THR 104 HN THR 104 11.488 -7.391 0.504 784 HA THR 104 HA THR 104 9.454 -5.432 0.961 785 HB THR 104 HB THR 104 9.788 -7.399 -1.314 786 HG1 THR 104 HG1 THR 104 10.481 -5.244 -2.313 787 HG21 THR 104 HG21 THR 104 7.562 -6.693 -1.439 788 HG22 THR 104 HG22 THR 104 8.417 -5.596 -2.523 789 HG23 THR 104 HG23 THR 104 7.954 -5.057 -0.909 790 H GLN 105 HN GLN 105 7.924 -5.953 2.403 791 HA GLN 105 HA GLN 105 7.036 -8.650 2.808 792 HB2 GLN 105 HB2 GLN 105 6.556 -6.033 4.056 793 HB3 GLN 105 HB1 GLN 105 5.184 -7.127 4.109 794 HG2 GLN 105 HG2 GLN 105 6.479 -7.361 6.115 795 HG3 GLN 105 HG1 GLN 105 6.615 -8.834 5.153 796 HE21 GLN 105 HE21 GLN 105 8.576 -9.380 4.247 797 HE22 GLN 105 HE22 GLN 105 10.052 -8.595 4.687 798 H ILE 106 HN ILE 106 4.755 -9.288 2.724 799 HA ILE 106 HA ILE 106 3.067 -7.866 0.853 800 HB ILE 106 HB ILE 106 4.219 -9.074 -0.787 801 HG12 ILE 106 HG12 ILE 106 1.831 -10.784 -0.061 802 HG13 ILE 106 HG11 ILE 106 1.762 -9.271 -0.959 803 HG21 ILE 106 HG21 ILE 106 5.429 -10.562 0.777 804 HG22 ILE 106 HG22 ILE 106 4.851 -11.387 -0.671 805 HG23 ILE 106 HG23 ILE 106 3.996 -11.586 0.857 806 HD11 ILE 106 HD11 ILE 106 1.602 -11.036 -2.520 807 HD12 ILE 106 HD12 ILE 106 2.988 -11.873 -1.824 808 HD13 ILE 106 HD13 ILE 106 3.219 -10.353 -2.686 809 H THR 107 HN THR 107 1.081 -7.930 1.597 810 HA THR 107 HA THR 107 -0.031 -10.352 2.744 811 HB THR 107 HB THR 107 0.211 -7.792 4.340 812 HG1 THR 107 HG1 THR 107 1.694 -10.012 4.226 813 HG21 THR 107 HG21 THR 107 -2.020 -8.725 4.642 814 HG22 THR 107 HG22 THR 107 -1.053 -8.981 6.097 815 HG23 THR 107 HG23 THR 107 -1.331 -10.313 4.976 816 H LYS 108 HN LYS 108 -2.082 -10.559 2.066 817 HA LYS 108 HA LYS 108 -3.346 -8.401 0.638 818 HB2 LYS 108 HB2 LYS 108 -4.399 -11.143 1.385 819 HB3 LYS 108 HB1 LYS 108 -5.209 -10.009 0.313 820 HG2 LYS 108 HG2 LYS 108 -2.970 -10.134 -1.033 821 HG3 LYS 108 HG1 LYS 108 -2.765 -11.650 -0.155 822 HD2 LYS 108 HD2 LYS 108 -4.938 -12.423 -0.998 823 HD3 LYS 108 HD1 LYS 108 -5.126 -10.911 -1.888 824 HE2 LYS 108 HE2 LYS 108 -2.984 -11.457 -3.076 825 HE3 LYS 108 HE1 LYS 108 -3.040 -13.043 -2.312 826 HZ1 LYS 108 HZ1 LYS 108 -3.956 -13.065 -4.553 827 HZ2 LYS 108 HZ2 LYS 108 -5.133 -11.934 -4.112 828 HZ3 LYS 108 HZ3 LYS 108 -5.132 -13.476 -3.411 829 H VAL 109 HN VAL 109 -5.078 -7.159 1.349 830 HA VAL 109 HA VAL 109 -5.632 -7.439 4.221 831 HB VAL 109 HB VAL 109 -4.403 -5.439 3.828 832 HG11 VAL 109 HG11 VAL 109 -4.748 -5.232 1.440 833 HG12 VAL 109 HG12 VAL 109 -5.117 -3.710 2.255 834 HG13 VAL 109 HG13 VAL 109 -6.428 -4.754 1.708 835 HG21 VAL 109 HG21 VAL 109 -6.074 -5.112 5.465 836 HG22 VAL 109 HG22 VAL 109 -7.329 -4.903 4.246 837 HG23 VAL 109 HG23 VAL 109 -6.081 -3.673 4.445 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 4.048 19.914 -2.317 2 H2 GLY 1 HT2 GLY 1 3.781 20.759 -3.758 3 H3 GLY 1 HT3 GLY 1 3.917 19.075 -3.780 4 HA2 GLY 1 HA1 GLY 1 1.746 20.626 -2.490 5 HA3 GLY 1 HA2 GLY 1 1.620 19.745 -4.005 6 H GLY 2 HN GLY 2 0.657 19.575 -0.976 7 HA2 GLY 2 HA2 GLY 2 1.317 16.801 -0.411 8 HA3 GLY 2 HA1 GLY 2 0.326 17.866 0.578 9 H SER 3 HN SER 3 -1.715 18.618 -0.808 10 HA SER 3 HA SER 3 -3.153 16.162 -1.346 11 HB2 SER 3 HB2 SER 3 -4.151 19.022 -1.408 12 HB3 SER 3 HB1 SER 3 -5.142 17.565 -1.358 13 HG SER 3 HG SER 3 -3.865 17.151 0.686 14 H MET 4 HN MET 4 -3.355 15.341 -3.326 15 HA MET 4 HA MET 4 -3.690 17.048 -5.622 16 HB2 MET 4 HB2 MET 4 -1.300 17.109 -5.578 17 HB3 MET 4 HB1 MET 4 -1.196 15.380 -5.283 18 HG2 MET 4 HG2 MET 4 -0.607 16.020 -7.589 19 HG3 MET 4 HG1 MET 4 -1.959 14.893 -7.500 20 HE1 MET 4 HE1 MET 4 -3.017 15.290 -9.843 21 HE2 MET 4 HE2 MET 4 -1.494 16.123 -10.147 22 HE3 MET 4 HE3 MET 4 -3.019 16.874 -10.613 23 H ARG 5 HN ARG 5 -2.744 13.701 -4.807 24 HA ARG 5 HA ARG 5 -4.399 12.665 -6.932 25 HB2 ARG 5 HB2 ARG 5 -2.556 11.455 -4.918 26 HB3 ARG 5 HB1 ARG 5 -3.698 10.430 -5.770 27 HG2 ARG 5 HG2 ARG 5 -1.963 10.231 -7.195 28 HG3 ARG 5 HG1 ARG 5 -2.658 11.709 -7.861 29 HD2 ARG 5 HD2 ARG 5 -1.103 13.046 -6.546 30 HD3 ARG 5 HD1 ARG 5 -0.427 11.579 -5.836 31 HE ARG 5 HE ARG 5 -0.292 11.500 -8.670 32 HH11 ARG 5 HH11 ARG 5 1.240 12.948 -5.876 33 HH12 ARG 5 HH12 ARG 5 2.781 13.119 -6.654 34 HH21 ARG 5 HH21 ARG 5 1.744 11.720 -9.690 35 HH22 ARG 5 HH22 ARG 5 3.069 12.411 -8.811 36 HA PRO 6 HA PRO 6 -8.010 12.318 -4.360 37 HB2 PRO 6 HB2 PRO 6 -9.563 11.001 -6.134 38 HB3 PRO 6 HB1 PRO 6 -9.186 12.714 -6.299 39 HG2 PRO 6 HG2 PRO 6 -7.937 10.360 -7.645 40 HG3 PRO 6 HG1 PRO 6 -8.474 11.900 -8.324 41 HD2 PRO 6 HD2 PRO 6 -5.885 11.405 -7.735 42 HD3 PRO 6 HD1 PRO 6 -6.592 13.028 -7.610 43 HA PRO 7 HA PRO 7 -6.982 8.298 -2.649 44 HB2 PRO 7 HB2 PRO 7 -9.309 8.837 -0.924 45 HB3 PRO 7 HB1 PRO 7 -7.637 8.486 -0.478 46 HG2 PRO 7 HG2 PRO 7 -8.689 10.935 -0.222 47 HG3 PRO 7 HG1 PRO 7 -6.990 10.692 -0.665 48 HD2 PRO 7 HD2 PRO 7 -9.309 11.453 -2.388 49 HD3 PRO 7 HD1 PRO 7 -7.618 11.993 -2.464 50 H ILE 8 HN ILE 8 -7.839 6.276 -2.629 51 HA ILE 8 HA ILE 8 -10.178 5.840 -4.294 52 HB ILE 8 HB ILE 8 -8.229 3.845 -3.144 53 HG12 ILE 8 HG12 ILE 8 -7.274 5.595 -4.741 54 HG13 ILE 8 HG11 ILE 8 -7.011 3.910 -5.152 55 HG21 ILE 8 HG21 ILE 8 -10.227 2.727 -3.699 56 HG22 ILE 8 HG22 ILE 8 -9.102 2.421 -5.021 57 HG23 ILE 8 HG23 ILE 8 -10.388 3.613 -5.217 58 HD11 ILE 8 HD11 ILE 8 -8.963 5.811 -6.397 59 HD12 ILE 8 HD12 ILE 8 -8.968 4.072 -6.701 60 HD13 ILE 8 HD13 ILE 8 -7.562 5.044 -7.145 61 H ILE 9 HN ILE 9 -11.902 6.312 -2.890 62 HA ILE 9 HA ILE 9 -12.054 5.314 -0.240 63 HB ILE 9 HB ILE 9 -14.171 6.437 -2.074 64 HG12 ILE 9 HG12 ILE 9 -14.070 8.395 -0.804 65 HG13 ILE 9 HG11 ILE 9 -13.160 7.637 0.482 66 HG21 ILE 9 HG21 ILE 9 -15.364 6.644 0.276 67 HG22 ILE 9 HG22 ILE 9 -14.417 5.187 0.595 68 HG23 ILE 9 HG23 ILE 9 -15.555 5.223 -0.752 69 HD11 ILE 9 HD11 ILE 9 -11.196 7.609 -0.926 70 HD12 ILE 9 HD12 ILE 9 -11.852 9.242 -0.821 71 HD13 ILE 9 HD13 ILE 9 -12.126 8.272 -2.269 72 H ILE 10 HN ILE 10 -11.778 3.137 -0.177 73 HA ILE 10 HA ILE 10 -13.476 1.381 -1.743 74 HB ILE 10 HB ILE 10 -11.366 0.680 0.296 75 HG12 ILE 10 HG12 ILE 10 -11.067 0.668 -2.695 76 HG13 ILE 10 HG11 ILE 10 -10.633 2.062 -1.720 77 HG21 ILE 10 HG21 ILE 10 -12.874 -1.151 -0.107 78 HG22 ILE 10 HG22 ILE 10 -11.349 -1.481 -0.926 79 HG23 ILE 10 HG23 ILE 10 -12.741 -0.926 -1.852 80 HD11 ILE 10 HD11 ILE 10 -9.019 0.683 -0.502 81 HD12 ILE 10 HD12 ILE 10 -8.687 0.731 -2.234 82 HD13 ILE 10 HD13 ILE 10 -9.446 -0.692 -1.521 83 H HIS 11 HN HIS 11 -15.271 0.579 -1.015 84 HA HIS 11 HA HIS 11 -16.105 1.067 1.703 85 HB2 HIS 11 HB2 HIS 11 -17.444 -0.203 -0.683 86 HB3 HIS 11 HB1 HIS 11 -18.230 -0.002 0.882 87 HD2 HIS 11 HD2 HIS 11 -16.351 3.109 0.472 88 HE1 HIS 11 HE1 HIS 11 -19.980 3.776 -1.592 89 HE2 HIS 11 HE2 HIS 11 -17.806 4.827 -0.831 90 H ARG 12 HN ARG 12 -16.723 -0.571 3.169 91 HA ARG 12 HA ARG 12 -15.005 -2.785 3.268 92 HB2 ARG 12 HB2 ARG 12 -16.329 -3.382 5.262 93 HB3 ARG 12 HB1 ARG 12 -15.859 -1.692 5.250 94 HG2 ARG 12 HG2 ARG 12 -18.043 -0.997 4.669 95 HG3 ARG 12 HG1 ARG 12 -18.549 -2.656 4.324 96 HD2 ARG 12 HD2 ARG 12 -18.245 -3.244 6.636 97 HD3 ARG 12 HD1 ARG 12 -17.679 -1.629 7.014 98 HE ARG 12 HE ARG 12 -20.261 -1.538 5.856 99 HH11 ARG 12 HH11 ARG 12 -18.589 -2.316 8.833 100 HH12 ARG 12 HH12 ARG 12 -19.964 -2.004 9.839 101 HH21 ARG 12 HH21 ARG 12 -22.073 -1.112 7.185 102 HH22 ARG 12 HH22 ARG 12 -21.945 -1.315 8.904 103 H ALA 13 HN ALA 13 -15.572 -5.018 3.358 104 HA ALA 13 HA ALA 13 -17.973 -5.759 1.833 105 HB1 ALA 13 HB1 ALA 13 -15.198 -6.874 1.429 106 HB2 ALA 13 HB2 ALA 13 -16.067 -5.814 0.318 107 HB3 ALA 13 HB3 ALA 13 -16.665 -7.441 0.629 108 H GLY 14 HN GLY 14 -16.896 -8.593 1.949 109 HA2 GLY 14 HA2 GLY 14 -18.243 -9.361 4.315 110 HA3 GLY 14 HA1 GLY 14 -17.274 -10.413 3.297 111 H LYS 15 HN LYS 15 -14.819 -9.956 3.528 112 HA LYS 15 HA LYS 15 -14.157 -9.377 6.331 113 HB2 LYS 15 HB2 LYS 15 -13.225 -11.781 4.759 114 HB3 LYS 15 HB1 LYS 15 -12.626 -11.320 6.346 115 HG2 LYS 15 HG2 LYS 15 -15.031 -11.506 7.137 116 HG3 LYS 15 HG1 LYS 15 -15.350 -12.311 5.601 117 HD2 LYS 15 HD2 LYS 15 -13.807 -14.052 6.110 118 HD3 LYS 15 HD1 LYS 15 -13.229 -13.191 7.539 119 HE2 LYS 15 HE2 LYS 15 -15.496 -13.379 8.509 120 HE3 LYS 15 HE1 LYS 15 -15.982 -14.345 7.117 121 HZ1 LYS 15 HZ1 LYS 15 -14.210 -15.933 7.740 122 HZ2 LYS 15 HZ2 LYS 15 -15.428 -15.792 8.900 123 HZ3 LYS 15 HZ3 LYS 15 -13.938 -15.037 9.148 124 H LYS 16 HN LYS 16 -13.509 -8.858 3.081 125 HA LYS 16 HA LYS 16 -10.932 -7.621 3.758 126 HB2 LYS 16 HB2 LYS 16 -11.277 -8.933 1.078 127 HB3 LYS 16 HB1 LYS 16 -9.794 -8.527 1.929 128 HG2 LYS 16 HG2 LYS 16 -11.228 -10.434 3.482 129 HG3 LYS 16 HG1 LYS 16 -11.138 -11.011 1.817 130 HD2 LYS 16 HD2 LYS 16 -9.204 -11.845 2.864 131 HD3 LYS 16 HD1 LYS 16 -8.652 -10.457 1.930 132 HE2 LYS 16 HE2 LYS 16 -7.629 -10.443 4.126 133 HE3 LYS 16 HE1 LYS 16 -8.728 -9.077 3.959 134 HZ1 LYS 16 HZ1 LYS 16 -8.823 -10.367 6.113 135 HZ2 LYS 16 HZ2 LYS 16 -9.563 -11.610 5.239 136 HZ3 LYS 16 HZ3 LYS 16 -10.300 -10.091 5.341 137 H TYR 17 HN TYR 17 -10.233 -6.187 1.796 138 HA TYR 17 HA TYR 17 -12.583 -4.585 1.071 139 HB2 TYR 17 HB2 TYR 17 -9.630 -3.938 1.005 140 HB3 TYR 17 HB1 TYR 17 -10.885 -2.856 0.412 141 HD1 TYR 17 HD1 TYR 17 -12.450 -1.783 1.986 142 HD2 TYR 17 HD2 TYR 17 -9.268 -4.251 3.328 143 HE1 TYR 17 HE1 TYR 17 -12.737 -0.895 4.264 144 HE2 TYR 17 HE2 TYR 17 -9.524 -3.396 5.596 145 HH TYR 17 HH TYR 17 -10.648 -0.904 6.521 146 H GLY 18 HN GLY 18 -10.721 -6.985 -0.206 147 HA2 GLY 18 HA2 GLY 18 -11.228 -7.879 -2.345 148 HA3 GLY 18 HA1 GLY 18 -11.625 -6.262 -2.882 149 H PHE 19 HN PHE 19 -8.746 -6.271 -1.128 150 HA PHE 19 HA PHE 19 -7.192 -6.831 -3.523 151 HB2 PHE 19 HB2 PHE 19 -6.002 -4.801 -3.568 152 HB3 PHE 19 HB1 PHE 19 -7.697 -4.400 -3.524 153 HD1 PHE 19 HD1 PHE 19 -8.691 -3.486 -1.408 154 HD2 PHE 19 HD2 PHE 19 -4.508 -4.101 -1.897 155 HE1 PHE 19 HE1 PHE 19 -8.245 -1.958 0.474 156 HE2 PHE 19 HE2 PHE 19 -4.057 -2.587 -0.014 157 HZ PHE 19 HZ PHE 19 -5.929 -1.512 1.171 158 H THR 20 HN THR 20 -4.893 -6.615 -3.198 159 HA THR 20 HA THR 20 -4.109 -7.791 -0.604 160 HB THR 20 HB THR 20 -2.929 -8.253 -3.346 161 HG1 THR 20 HG1 THR 20 -4.900 -9.361 -2.924 162 HG21 THR 20 HG21 THR 20 -1.587 -10.033 -2.130 163 HG22 THR 20 HG22 THR 20 -2.060 -9.240 -0.630 164 HG23 THR 20 HG23 THR 20 -1.089 -8.365 -1.820 165 H LEU 21 HN LEU 21 -2.799 -6.575 0.571 166 HA LEU 21 HA LEU 21 -1.380 -4.379 -0.722 167 HB2 LEU 21 HB2 LEU 21 -2.705 -3.815 1.244 168 HB3 LEU 21 HB1 LEU 21 -1.863 -5.027 2.186 169 HG LEU 21 HG LEU 21 0.233 -3.729 1.930 170 HD11 LEU 21 HD11 LEU 21 -0.283 -2.590 -0.156 171 HD12 LEU 21 HD12 LEU 21 0.111 -1.429 1.112 172 HD13 LEU 21 HD13 LEU 21 -1.569 -1.686 0.644 173 HD21 LEU 21 HD21 LEU 21 -0.507 -1.816 3.377 174 HD22 LEU 21 HD22 LEU 21 -0.983 -3.417 3.938 175 HD23 LEU 21 HD23 LEU 21 -2.162 -2.375 3.141 176 H ARG 22 HN ARG 22 0.737 -4.542 -1.138 177 HA ARG 22 HA ARG 22 2.186 -6.718 0.212 178 HB2 ARG 22 HB2 ARG 22 2.199 -5.831 -2.640 179 HB3 ARG 22 HB1 ARG 22 3.631 -6.577 -1.966 180 HG2 ARG 22 HG2 ARG 22 1.701 -8.329 -1.189 181 HG3 ARG 22 HG1 ARG 22 1.058 -7.732 -2.707 182 HD2 ARG 22 HD2 ARG 22 2.670 -9.775 -2.685 183 HD3 ARG 22 HD1 ARG 22 2.759 -8.575 -3.962 184 HE ARG 22 HE ARG 22 4.520 -7.899 -1.848 185 HH11 ARG 22 HH11 ARG 22 4.175 -10.220 -4.451 186 HH12 ARG 22 HH12 ARG 22 5.886 -10.372 -4.704 187 HH21 ARG 22 HH21 ARG 22 6.788 -8.089 -2.215 188 HH22 ARG 22 HH22 ARG 22 7.358 -9.163 -3.448 189 H ALA 23 HN ALA 23 4.020 -6.308 1.156 190 HA ALA 23 HA ALA 23 5.007 -3.549 1.160 191 HB1 ALA 23 HB1 ALA 23 4.899 -3.986 3.366 192 HB2 ALA 23 HB2 ALA 23 6.400 -4.873 3.100 193 HB3 ALA 23 HB3 ALA 23 4.855 -5.735 3.106 194 H ILE 24 HN ILE 24 6.299 -3.431 -0.603 195 HA ILE 24 HA ILE 24 8.240 -5.540 -1.123 196 HB ILE 24 HB ILE 24 8.808 -4.107 -3.140 197 HG12 ILE 24 HG12 ILE 24 6.179 -2.740 -2.576 198 HG13 ILE 24 HG11 ILE 24 7.709 -2.032 -2.065 199 HG21 ILE 24 HG21 ILE 24 5.981 -5.123 -2.875 200 HG22 ILE 24 HG22 ILE 24 7.399 -6.099 -3.257 201 HG23 ILE 24 HG23 ILE 24 6.848 -4.861 -4.388 202 HD11 ILE 24 HD11 ILE 24 6.964 -2.730 -4.898 203 HD12 ILE 24 HD12 ILE 24 8.456 -1.953 -4.369 204 HD13 ILE 24 HD13 ILE 24 6.915 -1.117 -4.186 205 H ARG 25 HN ARG 25 10.362 -5.397 -0.769 206 HA ARG 25 HA ARG 25 11.350 -2.916 0.478 207 HB2 ARG 25 HB2 ARG 25 11.836 -5.766 0.947 208 HB3 ARG 25 HB1 ARG 25 13.286 -4.785 0.927 209 HG2 ARG 25 HG2 ARG 25 12.475 -5.002 3.179 210 HG3 ARG 25 HG1 ARG 25 12.318 -3.328 2.641 211 HD2 ARG 25 HD2 ARG 25 9.963 -3.732 2.129 212 HD3 ARG 25 HD1 ARG 25 10.120 -5.386 2.712 213 HE ARG 25 HE ARG 25 10.718 -3.150 4.515 214 HH11 ARG 25 HH11 ARG 25 8.757 -5.915 3.669 215 HH12 ARG 25 HH12 ARG 25 7.942 -5.956 5.207 216 HH21 ARG 25 HH21 ARG 25 9.630 -3.200 6.536 217 HH22 ARG 25 HH22 ARG 25 8.442 -4.434 6.825 218 H VAL 26 HN VAL 26 12.117 -1.706 -1.096 219 HA VAL 26 HA VAL 26 13.919 -2.890 -3.103 220 HB VAL 26 HB VAL 26 12.416 -0.256 -3.106 221 HG11 VAL 26 HG11 VAL 26 14.410 0.159 -4.281 222 HG12 VAL 26 HG12 VAL 26 13.199 -0.180 -5.518 223 HG13 VAL 26 HG13 VAL 26 14.372 -1.419 -5.068 224 HG21 VAL 26 HG21 VAL 26 11.179 -1.257 -4.995 225 HG22 VAL 26 HG22 VAL 26 10.946 -2.130 -3.481 226 HG23 VAL 26 HG23 VAL 26 12.030 -2.775 -4.714 227 H TYR 27 HN TYR 27 16.063 -2.195 -3.169 228 HA TYR 27 HA TYR 27 17.127 -1.014 -0.857 229 HB2 TYR 27 HB2 TYR 27 18.202 -1.595 -3.569 230 HB3 TYR 27 HB1 TYR 27 19.140 -0.610 -2.472 231 HD1 TYR 27 HD1 TYR 27 19.670 -1.581 -0.154 232 HD2 TYR 27 HD2 TYR 27 18.278 -3.937 -3.416 233 HE1 TYR 27 HE1 TYR 27 20.538 -3.605 0.938 234 HE2 TYR 27 HE2 TYR 27 19.145 -5.966 -2.329 235 HH TYR 27 HH TYR 27 20.788 -6.616 -0.680 236 H MET 28 HN MET 28 17.844 0.977 -0.392 237 HA MET 28 HA MET 28 16.478 3.178 -1.572 238 HB2 MET 28 HB2 MET 28 18.204 2.668 0.739 239 HB3 MET 28 HB1 MET 28 18.401 4.268 0.052 240 HG2 MET 28 HG2 MET 28 15.715 3.154 0.736 241 HG3 MET 28 HG1 MET 28 16.722 3.985 1.913 242 HE1 MET 28 HE1 MET 28 15.035 5.781 2.473 243 HE2 MET 28 HE2 MET 28 13.822 5.085 1.400 244 HE3 MET 28 HE3 MET 28 14.198 6.804 1.308 245 H GLY 29 HN GLY 29 19.508 1.658 -2.100 246 HA2 GLY 29 HA2 GLY 29 21.025 2.038 -3.809 247 HA3 GLY 29 HA1 GLY 29 20.104 3.466 -4.266 248 H ASP 30 HN ASP 30 21.030 3.089 -0.989 249 HA ASP 30 HA ASP 30 23.070 5.189 -1.325 250 HB2 ASP 30 HB2 ASP 30 21.305 6.144 -0.078 251 HB3 ASP 30 HB1 ASP 30 21.062 4.676 0.863 252 H SER 31 HN SER 31 22.138 2.441 0.736 253 HA SER 31 HA SER 31 24.902 1.580 0.855 254 HB2 SER 31 HB2 SER 31 24.712 1.473 3.430 255 HB3 SER 31 HB1 SER 31 24.979 3.056 2.702 256 HG SER 31 HG SER 31 22.960 3.652 3.137 257 H ASP 32 HN ASP 32 23.079 0.543 3.485 258 HA ASP 32 HA ASP 32 22.397 -1.976 2.117 259 HB2 ASP 32 HB2 ASP 32 24.049 -2.023 4.039 260 HB3 ASP 32 HB1 ASP 32 22.731 -1.527 5.087 261 H VAL 33 HN VAL 33 21.239 0.785 3.630 262 HA VAL 33 HA VAL 33 18.833 -0.013 4.780 263 HB VAL 33 HB VAL 33 19.669 2.174 5.197 264 HG11 VAL 33 HG11 VAL 33 19.653 3.910 3.356 265 HG12 VAL 33 HG12 VAL 33 19.487 2.562 2.233 266 HG13 VAL 33 HG13 VAL 33 20.918 2.679 3.260 267 HG21 VAL 33 HG21 VAL 33 17.244 1.998 5.265 268 HG22 VAL 33 HG22 VAL 33 17.155 2.431 3.559 269 HG23 VAL 33 HG23 VAL 33 17.744 3.604 4.737 270 H TYR 34 HN TYR 34 16.715 0.049 4.037 271 HA TYR 34 HA TYR 34 16.417 -0.305 1.127 272 HB2 TYR 34 HB2 TYR 34 14.613 -1.924 1.598 273 HB3 TYR 34 HB1 TYR 34 16.165 -2.458 2.218 274 HD1 TYR 34 HD2 TYR 34 12.871 -1.084 3.164 275 HD2 TYR 34 HD1 TYR 34 16.488 -2.838 4.558 276 HE1 TYR 34 HE2 TYR 34 11.846 -1.423 5.371 277 HE2 TYR 34 HE1 TYR 34 15.468 -3.183 6.769 278 HH TYR 34 HH TYR 34 13.698 -2.802 8.068 279 H THR 35 HN THR 35 14.065 -0.191 0.514 280 HA THR 35 HA THR 35 12.753 2.067 1.866 281 HB THR 35 HB THR 35 12.390 1.661 -1.071 282 HG1 THR 35 HG1 THR 35 14.614 1.623 -0.961 283 HG21 THR 35 HG21 THR 35 12.336 3.936 0.879 284 HG22 THR 35 HG22 THR 35 11.088 3.407 -0.248 285 HG23 THR 35 HG23 THR 35 12.516 4.249 -0.848 286 H VAL 36 HN VAL 36 11.090 1.048 2.887 287 HA VAL 36 HA VAL 36 9.725 -1.151 1.580 288 HB VAL 36 HB VAL 36 10.004 -1.460 3.923 289 HG11 VAL 36 HG11 VAL 36 8.963 0.099 5.584 290 HG12 VAL 36 HG12 VAL 36 8.726 1.244 4.263 291 HG13 VAL 36 HG13 VAL 36 10.354 0.748 4.719 292 HG21 VAL 36 HG21 VAL 36 7.679 -1.700 4.709 293 HG22 VAL 36 HG22 VAL 36 7.901 -2.290 3.063 294 HG23 VAL 36 HG23 VAL 36 7.136 -0.725 3.343 295 H HIS 37 HN HIS 37 8.218 -0.808 0.141 296 HA HIS 37 HA HIS 37 6.588 1.617 0.415 297 HB2 HIS 37 HB2 HIS 37 7.401 0.060 -2.011 298 HB3 HIS 37 HB1 HIS 37 6.009 1.121 -2.042 299 HD2 HIS 37 HD2 HIS 37 9.753 1.279 -2.541 300 HE1 HIS 37 HE1 HIS 37 8.422 5.255 -1.964 301 HE2 HIS 37 HE2 HIS 37 10.309 3.800 -2.822 302 H HIS 38 HN HIS 38 4.439 1.514 0.241 303 HA HIS 38 HA HIS 38 3.265 -1.131 0.706 304 HB2 HIS 38 HB2 HIS 38 2.116 1.602 1.343 305 HB3 HIS 38 HB1 HIS 38 1.420 0.050 1.795 306 HD2 HIS 38 HD2 HIS 38 3.682 2.686 3.232 307 HE1 HIS 38 HE1 HIS 38 4.475 -0.862 5.391 308 HE2 HIS 38 HE2 HIS 38 4.991 1.607 5.194 309 H MET 39 HN MET 39 2.860 -1.869 -1.304 310 HA MET 39 HA MET 39 1.210 -0.146 -3.031 311 HB2 MET 39 HB2 MET 39 3.158 -0.308 -4.260 312 HB3 MET 39 HB1 MET 39 3.541 -1.908 -3.643 313 HG2 MET 39 HG2 MET 39 1.112 -1.881 -5.239 314 HG3 MET 39 HG1 MET 39 2.519 -1.311 -6.133 315 HE1 MET 39 HE1 MET 39 4.600 -4.311 -6.805 316 HE2 MET 39 HE2 MET 39 4.885 -2.749 -6.032 317 HE3 MET 39 HE3 MET 39 3.860 -2.851 -7.469 318 H VAL 40 HN VAL 40 -0.613 -0.951 -3.837 319 HA VAL 40 HA VAL 40 -1.625 -3.430 -2.842 320 HB VAL 40 HB VAL 40 -3.358 -1.933 -3.141 321 HG11 VAL 40 HG11 VAL 40 -3.609 -0.498 -5.183 322 HG12 VAL 40 HG12 VAL 40 -2.006 -1.043 -5.676 323 HG13 VAL 40 HG13 VAL 40 -2.210 -0.137 -4.176 324 HG21 VAL 40 HG21 VAL 40 -3.999 -3.977 -4.255 325 HG22 VAL 40 HG22 VAL 40 -3.292 -3.406 -5.766 326 HG23 VAL 40 HG23 VAL 40 -4.705 -2.593 -5.092 327 H TRP 41 HN TRP 41 -1.160 -5.335 -3.690 328 HA TRP 41 HA TRP 41 0.331 -5.478 -6.170 329 HB2 TRP 41 HB2 TRP 41 1.178 -6.691 -4.297 330 HB3 TRP 41 HB1 TRP 41 -0.367 -7.505 -4.055 331 HD1 TRP 41 HD1 TRP 41 -0.756 -9.730 -5.353 332 HE1 TRP 41 HE1 TRP 41 0.664 -11.130 -6.978 333 HE3 TRP 41 HE3 TRP 41 3.001 -6.375 -6.242 334 HZ2 TRP 41 HZ2 TRP 41 3.059 -10.847 -8.442 335 HZ3 TRP 41 HZ3 TRP 41 4.818 -7.024 -7.767 336 HH2 TRP 41 HH2 TRP 41 4.845 -9.216 -8.844 337 H HIS 42 HN HIS 42 -2.816 -6.466 -4.980 338 HA HIS 42 HA HIS 42 -3.596 -7.003 -7.731 339 HB2 HIS 42 HB2 HIS 42 -2.711 -9.171 -6.845 340 HB3 HIS 42 HB1 HIS 42 -3.906 -9.107 -5.559 341 HD2 HIS 42 HD2 HIS 42 -3.842 -9.485 -9.469 342 HE1 HIS 42 HE1 HIS 42 -7.447 -11.065 -7.918 343 HE2 HIS 42 HE2 HIS 42 -6.145 -10.543 -10.026 344 H VAL 43 HN VAL 43 -5.795 -6.945 -8.075 345 HA VAL 43 HA VAL 43 -7.484 -6.167 -5.795 346 HB VAL 43 HB VAL 43 -7.635 -4.899 -8.542 347 HG11 VAL 43 HG11 VAL 43 -9.162 -3.328 -7.432 348 HG12 VAL 43 HG12 VAL 43 -9.025 -4.267 -5.946 349 HG13 VAL 43 HG13 VAL 43 -9.759 -4.987 -7.378 350 HG21 VAL 43 HG21 VAL 43 -5.587 -4.327 -7.092 351 HG22 VAL 43 HG22 VAL 43 -6.737 -3.482 -6.058 352 HG23 VAL 43 HG23 VAL 43 -6.544 -2.998 -7.743 353 H GLU 44 HN GLU 44 -9.057 -7.619 -5.614 354 HA GLU 44 HA GLU 44 -9.636 -9.633 -7.408 355 HB2 GLU 44 HB2 GLU 44 -11.234 -8.392 -5.172 356 HB3 GLU 44 HB1 GLU 44 -11.705 -9.846 -6.007 357 HG2 GLU 44 HG2 GLU 44 -9.078 -9.576 -4.606 358 HG3 GLU 44 HG1 GLU 44 -10.537 -10.159 -3.812 359 H ASP 45 HN ASP 45 -10.933 -9.805 -9.130 360 HA ASP 45 HA ASP 45 -11.929 -7.538 -10.461 361 HB2 ASP 45 HB2 ASP 45 -11.955 -10.450 -10.886 362 HB3 ASP 45 HB1 ASP 45 -13.314 -9.597 -11.609 363 H GLY 46 HN GLY 46 -13.674 -6.373 -10.043 364 HA2 GLY 46 HA2 GLY 46 -15.923 -5.934 -9.624 365 HA3 GLY 46 HA1 GLY 46 -16.173 -7.650 -9.343 366 H GLY 47 HN GLY 47 -13.548 -6.506 -7.597 367 HA2 GLY 47 HA2 GLY 47 -14.971 -6.810 -5.109 368 HA3 GLY 47 HA1 GLY 47 -13.255 -6.480 -5.300 369 HA PRO 48 HA PRO 48 -15.865 -2.688 -3.843 370 HB2 PRO 48 HB2 PRO 48 -13.841 -3.002 -1.683 371 HB3 PRO 48 HB1 PRO 48 -15.532 -2.506 -1.551 372 HG2 PRO 48 HG2 PRO 48 -14.850 -4.906 -0.802 373 HG3 PRO 48 HG1 PRO 48 -16.261 -4.700 -1.847 374 HD2 PRO 48 HD2 PRO 48 -13.498 -5.539 -2.607 375 HD3 PRO 48 HD1 PRO 48 -15.047 -6.250 -3.053 376 H ALA 49 HN ALA 49 -12.467 -3.401 -3.346 377 HA ALA 49 HA ALA 49 -11.508 -0.793 -3.696 378 HB1 ALA 49 HB1 ALA 49 -10.089 -3.407 -4.224 379 HB2 ALA 49 HB2 ALA 49 -10.121 -2.520 -2.701 380 HB3 ALA 49 HB3 ALA 49 -9.299 -1.834 -4.102 381 H SER 50 HN SER 50 -12.128 -3.329 -6.023 382 HA SER 50 HA SER 50 -10.971 -2.087 -8.277 383 HB2 SER 50 HB2 SER 50 -12.099 -4.516 -7.773 384 HB3 SER 50 HB1 SER 50 -13.392 -3.733 -8.683 385 HG SER 50 HG SER 50 -12.170 -3.715 -10.444 386 H GLU 51 HN GLU 51 -14.100 -1.958 -6.736 387 HA GLU 51 HA GLU 51 -15.409 -0.417 -8.741 388 HB2 GLU 51 HB2 GLU 51 -16.113 -0.690 -5.813 389 HB3 GLU 51 HB1 GLU 51 -17.193 -0.169 -7.102 390 HG2 GLU 51 HG2 GLU 51 -16.962 -2.393 -8.136 391 HG3 GLU 51 HG1 GLU 51 -15.963 -2.893 -6.779 392 H ALA 52 HN ALA 52 -13.681 0.279 -5.817 393 HA ALA 52 HA ALA 52 -14.223 3.059 -5.713 394 HB1 ALA 52 HB1 ALA 52 -11.947 1.499 -4.520 395 HB2 ALA 52 HB2 ALA 52 -13.527 1.743 -3.777 396 HB3 ALA 52 HB3 ALA 52 -12.462 3.121 -4.053 397 H GLY 53 HN GLY 53 -11.978 1.115 -7.486 398 HA2 GLY 53 HA2 GLY 53 -11.043 2.067 -9.494 399 HA3 GLY 53 HA1 GLY 53 -10.869 3.572 -8.621 400 H LEU 54 HN LEU 54 -9.937 1.009 -6.655 401 HA LEU 54 HA LEU 54 -7.226 1.834 -6.613 402 HB2 LEU 54 HB2 LEU 54 -8.857 0.234 -5.051 403 HB3 LEU 54 HB1 LEU 54 -7.676 -0.886 -5.670 404 HG LEU 54 HG LEU 54 -7.327 1.397 -3.789 405 HD11 LEU 54 HD11 LEU 54 -7.475 -0.859 -2.913 406 HD12 LEU 54 HD12 LEU 54 -5.853 -0.197 -2.663 407 HD13 LEU 54 HD13 LEU 54 -6.144 -1.364 -3.955 408 HD21 LEU 54 HD21 LEU 54 -5.771 2.116 -5.369 409 HD22 LEU 54 HD22 LEU 54 -5.275 0.471 -5.763 410 HD23 LEU 54 HD23 LEU 54 -4.830 1.179 -4.210 411 H ARG 55 HN ARG 55 -5.492 1.109 -7.654 412 HA ARG 55 HA ARG 55 -5.856 -1.089 -9.568 413 HB2 ARG 55 HB2 ARG 55 -4.113 1.355 -9.892 414 HB3 ARG 55 HB1 ARG 55 -4.356 0.077 -11.079 415 HG2 ARG 55 HG2 ARG 55 -6.710 1.582 -10.051 416 HG3 ARG 55 HG1 ARG 55 -5.666 2.324 -11.259 417 HD2 ARG 55 HD2 ARG 55 -6.234 0.793 -12.883 418 HD3 ARG 55 HD1 ARG 55 -6.613 -0.460 -11.706 419 HE ARG 55 HE ARG 55 -8.352 1.834 -12.334 420 HH11 ARG 55 HH11 ARG 55 -7.916 -1.467 -11.219 421 HH12 ARG 55 HH12 ARG 55 -9.619 -1.792 -11.135 422 HH21 ARG 55 HH21 ARG 55 -10.589 1.406 -12.195 423 HH22 ARG 55 HH22 ARG 55 -11.136 -0.159 -11.677 424 H GLN 56 HN GLN 56 -4.305 -2.630 -9.647 425 HA GLN 56 HA GLN 56 -2.473 -2.729 -7.451 426 HB2 GLN 56 HB2 GLN 56 -1.834 -4.826 -9.197 427 HB3 GLN 56 HB1 GLN 56 -2.774 -4.905 -7.726 428 HG2 GLN 56 HG2 GLN 56 -4.808 -4.627 -8.889 429 HG3 GLN 56 HG1 GLN 56 -3.948 -4.256 -10.355 430 HE21 GLN 56 HE21 GLN 56 -1.989 -6.365 -10.046 431 HE22 GLN 56 HE22 GLN 56 -2.815 -7.844 -10.381 432 H GLY 57 HN GLY 57 -0.294 -2.578 -7.445 433 HA2 GLY 57 HA2 GLY 57 1.849 -2.439 -8.413 434 HA3 GLY 57 HA1 GLY 57 1.112 -2.117 -9.968 435 H ASP 58 HN ASP 58 -0.451 -0.206 -7.749 436 HA ASP 58 HA ASP 58 1.001 2.151 -8.597 437 HB2 ASP 58 HB2 ASP 58 -1.337 1.860 -6.697 438 HB3 ASP 58 HB1 ASP 58 -0.683 3.389 -7.252 439 H LEU 59 HN LEU 59 0.558 3.666 -6.197 440 HA LEU 59 HA LEU 59 2.219 2.359 -4.227 441 HB2 LEU 59 HB2 LEU 59 2.884 4.799 -5.766 442 HB3 LEU 59 HB1 LEU 59 3.202 4.859 -4.044 443 HG LEU 59 HG LEU 59 4.347 2.891 -6.008 444 HD11 LEU 59 HD11 LEU 59 5.309 5.142 -6.120 445 HD12 LEU 59 HD12 LEU 59 6.464 3.968 -5.491 446 HD13 LEU 59 HD13 LEU 59 5.648 5.077 -4.390 447 HD21 LEU 59 HD21 LEU 59 4.090 1.667 -4.016 448 HD22 LEU 59 HD22 LEU 59 4.527 3.048 -3.012 449 HD23 LEU 59 HD23 LEU 59 5.759 2.239 -3.982 450 H ILE 60 HN ILE 60 1.031 2.424 -2.424 451 HA ILE 60 HA ILE 60 -0.981 4.450 -2.082 452 HB ILE 60 HB ILE 60 -0.066 2.237 -0.226 453 HG12 ILE 60 HG12 ILE 60 -2.679 2.439 -1.732 454 HG13 ILE 60 HG11 ILE 60 -1.255 1.671 -2.427 455 HG21 ILE 60 HG21 ILE 60 -2.035 2.721 1.111 456 HG22 ILE 60 HG22 ILE 60 -2.457 4.060 0.044 457 HG23 ILE 60 HG23 ILE 60 -0.990 4.138 1.019 458 HD11 ILE 60 HD11 ILE 60 -1.229 0.069 -0.587 459 HD12 ILE 60 HD12 ILE 60 -2.760 0.034 -1.462 460 HD13 ILE 60 HD13 ILE 60 -2.656 0.841 0.102 461 H THR 61 HN THR 61 -0.443 6.415 -1.432 462 HA THR 61 HA THR 61 1.998 6.814 0.110 463 HB THR 61 HB THR 61 1.871 8.250 -1.770 464 HG1 THR 61 HG1 THR 61 1.019 9.947 0.341 465 HG21 THR 61 HG21 THR 61 0.029 9.749 -2.248 466 HG22 THR 61 HG22 THR 61 -0.826 9.197 -0.808 467 HG23 THR 61 HG23 THR 61 -0.557 8.089 -2.153 468 H HIS 62 HN HIS 62 -1.495 7.181 0.452 469 HA HIS 62 HA HIS 62 -1.078 7.585 3.320 470 HB2 HIS 62 HB2 HIS 62 -3.081 9.290 1.839 471 HB3 HIS 62 HB1 HIS 62 -2.630 9.391 3.526 472 HD2 HIS 62 HD2 HIS 62 -0.026 10.511 3.983 473 HE1 HIS 62 HE1 HIS 62 -0.009 12.428 0.210 474 HE2 HIS 62 HE2 HIS 62 1.208 12.179 2.414 475 H VAL 63 HN VAL 63 -2.705 6.828 4.600 476 HA VAL 63 HA VAL 63 -4.927 5.444 3.239 477 HB VAL 63 HB VAL 63 -3.342 4.507 5.641 478 HG11 VAL 63 HG11 VAL 63 -5.801 3.255 4.428 479 HG12 VAL 63 HG12 VAL 63 -5.768 4.165 5.938 480 HG13 VAL 63 HG13 VAL 63 -4.879 2.649 5.803 481 HG21 VAL 63 HG21 VAL 63 -2.388 4.052 3.376 482 HG22 VAL 63 HG22 VAL 63 -3.837 3.114 3.016 483 HG23 VAL 63 HG23 VAL 63 -2.757 2.604 4.313 484 H ASN 64 HN ASN 64 -6.712 6.551 3.714 485 HA ASN 64 HA ASN 64 -8.339 7.647 4.860 486 HB2 ASN 64 HB2 ASN 64 -6.886 6.544 7.280 487 HB3 ASN 64 HB1 ASN 64 -8.420 7.399 7.358 488 HD21 ASN 64 HD21 ASN 64 -7.437 4.563 7.870 489 HD22 ASN 64 HD22 ASN 64 -8.596 3.577 7.062 490 H GLY 65 HN GLY 65 -5.709 8.800 4.153 491 HA2 GLY 65 HA2 GLY 65 -4.998 11.017 4.137 492 HA3 GLY 65 HA1 GLY 65 -6.057 11.340 5.501 493 H GLU 66 HN GLU 66 -4.165 8.594 6.034 494 HA GLU 66 HA GLU 66 -2.475 10.134 7.868 495 HB2 GLU 66 HB2 GLU 66 -2.855 7.148 7.764 496 HB3 GLU 66 HB1 GLU 66 -2.128 8.079 9.063 497 HG2 GLU 66 HG2 GLU 66 -4.975 8.499 8.259 498 HG3 GLU 66 HG1 GLU 66 -4.517 7.200 9.348 499 HA PRO 67 HA PRO 67 1.022 9.432 5.188 500 HB2 PRO 67 HB2 PRO 67 2.649 10.025 7.559 501 HB3 PRO 67 HB1 PRO 67 2.554 10.892 6.026 502 HG2 PRO 67 HG2 PRO 67 1.531 11.905 8.300 503 HG3 PRO 67 HG1 PRO 67 0.782 12.188 6.722 504 HD2 PRO 67 HD2 PRO 67 -0.006 10.285 8.868 505 HD3 PRO 67 HD1 PRO 67 -1.027 11.296 7.832 506 H VAL 68 HN VAL 68 1.334 7.336 4.763 507 HA VAL 68 HA VAL 68 1.939 5.448 6.897 508 HB VAL 68 HB VAL 68 1.728 3.720 5.231 509 HG11 VAL 68 HG11 VAL 68 -0.333 4.586 6.183 510 HG12 VAL 68 HG12 VAL 68 -0.587 4.104 4.507 511 HG13 VAL 68 HG13 VAL 68 -0.423 5.811 4.918 512 HG21 VAL 68 HG21 VAL 68 1.388 5.899 3.168 513 HG22 VAL 68 HG22 VAL 68 1.340 4.158 2.887 514 HG23 VAL 68 HG23 VAL 68 2.848 4.930 3.376 515 H HIS 69 HN HIS 69 3.665 7.525 5.000 516 HA HIS 69 HA HIS 69 5.891 5.927 4.271 517 HB2 HIS 69 HB2 HIS 69 5.355 8.098 3.202 518 HB3 HIS 69 HB1 HIS 69 5.756 8.921 4.704 519 HD2 HIS 69 HD2 HIS 69 8.252 9.833 4.747 520 HE1 HIS 69 HE1 HIS 69 9.890 7.148 1.918 521 HE2 HIS 69 HE2 HIS 69 10.287 9.276 3.238 522 H GLY 70 HN GLY 70 6.591 4.746 6.035 523 HA2 GLY 70 HA2 GLY 70 8.649 5.235 7.512 524 HA3 GLY 70 HA1 GLY 70 7.523 6.278 8.364 525 H LEU 71 HN LEU 71 5.329 4.205 7.779 526 HA LEU 71 HA LEU 71 5.830 2.704 10.202 527 HB2 LEU 71 HB2 LEU 71 3.478 2.152 8.473 528 HB3 LEU 71 HB1 LEU 71 3.609 2.139 10.219 529 HG LEU 71 HG LEU 71 3.623 4.628 8.584 530 HD11 LEU 71 HD11 LEU 71 1.544 3.917 8.092 531 HD12 LEU 71 HD12 LEU 71 1.216 4.674 9.654 532 HD13 LEU 71 HD13 LEU 71 1.430 2.920 9.544 533 HD21 LEU 71 HD21 LEU 71 2.590 5.077 11.132 534 HD22 LEU 71 HD22 LEU 71 4.173 5.572 10.528 535 HD23 LEU 71 HD23 LEU 71 3.992 4.036 11.371 536 H VAL 72 HN VAL 72 4.872 0.417 10.094 537 HA VAL 72 HA VAL 72 6.493 -1.111 8.228 538 HB VAL 72 HB VAL 72 5.829 -3.037 9.647 539 HG11 VAL 72 HG11 VAL 72 7.103 -2.387 11.623 540 HG12 VAL 72 HG12 VAL 72 6.925 -0.688 11.188 541 HG13 VAL 72 HG13 VAL 72 7.860 -1.770 10.156 542 HG21 VAL 72 HG21 VAL 72 3.893 -1.089 10.594 543 HG22 VAL 72 HG22 VAL 72 4.804 -1.813 11.930 544 HG23 VAL 72 HG23 VAL 72 3.930 -2.850 10.804 545 H HIS 73 HN HIS 73 5.237 -3.360 7.786 546 HA HIS 73 HA HIS 73 3.248 -2.727 5.888 547 HB2 HIS 73 HB2 HIS 73 4.747 -4.665 5.676 548 HB3 HIS 73 HB1 HIS 73 3.987 -5.409 7.076 549 HD1 HIS 73 HD1 HIS 73 2.540 -3.947 3.834 550 HD2 HIS 73 HD2 HIS 73 2.385 -7.346 6.219 551 HE1 HIS 73 HE1 HIS 73 0.912 -5.524 2.718 552 H THR 74 HN THR 74 3.086 -4.143 9.133 553 HA THR 74 HA THR 74 0.283 -4.609 9.029 554 HB THR 74 HB THR 74 0.549 -4.795 11.566 555 HG1 THR 74 HG1 THR 74 2.451 -4.318 12.363 556 HG21 THR 74 HG21 THR 74 0.449 -6.739 10.147 557 HG22 THR 74 HG22 THR 74 1.726 -6.973 11.341 558 HG23 THR 74 HG23 THR 74 2.139 -6.535 9.682 559 H GLU 75 HN GLU 75 2.203 -1.811 10.056 560 HA GLU 75 HA GLU 75 0.244 -0.559 11.578 561 HB2 GLU 75 HB2 GLU 75 2.522 0.609 9.975 562 HB3 GLU 75 HB1 GLU 75 1.407 1.562 10.889 563 HG2 GLU 75 HG2 GLU 75 2.892 -0.669 12.141 564 HG3 GLU 75 HG1 GLU 75 3.515 0.981 12.093 565 H VAL 76 HN VAL 76 0.943 -0.427 8.141 566 HA VAL 76 HA VAL 76 -1.198 1.387 7.589 567 HB VAL 76 HB VAL 76 -0.715 1.025 5.238 568 HG11 VAL 76 HG11 VAL 76 0.711 2.559 6.393 569 HG12 VAL 76 HG12 VAL 76 1.715 1.617 5.287 570 HG13 VAL 76 HG13 VAL 76 1.710 1.245 7.013 571 HG21 VAL 76 HG21 VAL 76 0.943 -0.554 4.472 572 HG22 VAL 76 HG22 VAL 76 -0.319 -1.417 5.354 573 HG23 VAL 76 HG23 VAL 76 1.234 -1.097 6.124 574 H VAL 77 HN VAL 77 -0.794 -2.117 7.519 575 HA VAL 77 HA VAL 77 -3.180 -2.844 6.244 576 HB VAL 77 HB VAL 77 -1.436 -4.195 8.288 577 HG11 VAL 77 HG11 VAL 77 -3.807 -4.834 8.750 578 HG12 VAL 77 HG12 VAL 77 -2.758 -6.172 8.284 579 HG13 VAL 77 HG13 VAL 77 -3.889 -5.489 7.114 580 HG21 VAL 77 HG21 VAL 77 -1.067 -5.779 6.448 581 HG22 VAL 77 HG22 VAL 77 -0.651 -4.127 5.996 582 HG23 VAL 77 HG23 VAL 77 -2.163 -4.842 5.434 583 H GLU 78 HN GLU 78 -2.484 -2.366 9.681 584 HA GLU 78 HA GLU 78 -5.090 -2.759 10.600 585 HB2 GLU 78 HB2 GLU 78 -2.938 -1.065 11.740 586 HB3 GLU 78 HB1 GLU 78 -4.383 -1.552 12.593 587 HG2 GLU 78 HG2 GLU 78 -3.670 -3.894 12.036 588 HG3 GLU 78 HG1 GLU 78 -2.099 -3.215 11.686 589 H LEU 79 HN LEU 79 -3.303 0.113 9.858 590 HA LEU 79 HA LEU 79 -5.063 2.139 10.304 591 HB2 LEU 79 HB2 LEU 79 -2.731 1.827 8.821 592 HB3 LEU 79 HB1 LEU 79 -3.895 2.451 7.668 593 HG LEU 79 HG LEU 79 -4.368 4.257 9.457 594 HD11 LEU 79 HD11 LEU 79 -3.127 3.170 11.263 595 HD12 LEU 79 HD12 LEU 79 -2.483 4.771 10.898 596 HD13 LEU 79 HD13 LEU 79 -1.637 3.330 10.334 597 HD21 LEU 79 HD21 LEU 79 -2.213 3.970 7.487 598 HD22 LEU 79 HD22 LEU 79 -1.996 5.275 8.657 599 HD23 LEU 79 HD23 LEU 79 -3.449 5.222 7.657 600 H ILE 80 HN ILE 80 -4.883 0.346 7.198 601 HA ILE 80 HA ILE 80 -7.125 1.378 5.980 602 HB ILE 80 HB ILE 80 -6.023 -1.424 5.905 603 HG12 ILE 80 HG12 ILE 80 -5.545 0.658 3.832 604 HG13 ILE 80 HG11 ILE 80 -4.643 0.729 5.329 605 HG21 ILE 80 HG21 ILE 80 -8.225 -1.477 5.025 606 HG22 ILE 80 HG22 ILE 80 -7.096 -1.551 3.670 607 HG23 ILE 80 HG23 ILE 80 -7.935 -0.042 4.039 608 HD11 ILE 80 HD11 ILE 80 -3.682 -1.366 4.971 609 HD12 ILE 80 HD12 ILE 80 -3.514 -0.471 3.459 610 HD13 ILE 80 HD13 ILE 80 -4.751 -1.723 3.614 611 H LEU 81 HN LEU 81 -6.910 -1.621 7.882 612 HA LEU 81 HA LEU 81 -9.597 -2.298 7.899 613 HB2 LEU 81 HB2 LEU 81 -7.308 -2.830 9.725 614 HB3 LEU 81 HB1 LEU 81 -8.912 -3.276 10.266 615 HG LEU 81 HG LEU 81 -7.779 -4.207 7.638 616 HD11 LEU 81 HD11 LEU 81 -6.296 -4.959 9.415 617 HD12 LEU 81 HD12 LEU 81 -7.231 -6.308 8.771 618 HD13 LEU 81 HD13 LEU 81 -7.677 -5.587 10.317 619 HD21 LEU 81 HD21 LEU 81 -10.111 -5.013 9.357 620 HD22 LEU 81 HD22 LEU 81 -9.490 -6.018 8.051 621 HD23 LEU 81 HD23 LEU 81 -10.134 -4.417 7.697 622 H LYS 82 HN LYS 82 -7.899 -0.148 10.168 623 HA LYS 82 HA LYS 82 -10.004 0.235 11.955 624 HB2 LYS 82 HB2 LYS 82 -7.713 2.065 11.316 625 HB3 LYS 82 HB1 LYS 82 -8.754 2.183 12.735 626 HG2 LYS 82 HG2 LYS 82 -8.089 -0.153 13.284 627 HG3 LYS 82 HG1 LYS 82 -6.908 -0.046 12.002 628 HD2 LYS 82 HD2 LYS 82 -7.031 1.889 14.309 629 HD3 LYS 82 HD1 LYS 82 -6.016 0.445 14.305 630 HE2 LYS 82 HE2 LYS 82 -4.903 1.282 12.262 631 HE3 LYS 82 HE1 LYS 82 -5.868 2.754 12.367 632 HZ1 LYS 82 HZ1 LYS 82 -4.870 3.136 14.575 633 HZ2 LYS 82 HZ2 LYS 82 -3.733 3.148 13.326 634 HZ3 LYS 82 HZ3 LYS 82 -3.863 1.798 14.335 635 H SER 83 HN SER 83 -9.743 1.449 8.781 636 HA SER 83 HA SER 83 -10.833 3.972 8.890 637 HB2 SER 83 HB2 SER 83 -11.611 3.597 6.617 638 HB3 SER 83 HB1 SER 83 -10.026 2.858 6.829 639 HG SER 83 HG SER 83 -12.185 1.704 5.949 640 H GLY 84 HN GLY 84 -12.669 0.937 8.513 641 HA2 GLY 84 HA2 GLY 84 -14.730 0.382 9.438 642 HA3 GLY 84 HA1 GLY 84 -14.818 1.990 10.139 643 H ASN 85 HN ASN 85 -16.118 -0.031 7.891 644 HA ASN 85 HA ASN 85 -17.774 0.197 6.367 645 HB2 ASN 85 HB2 ASN 85 -18.896 1.863 7.619 646 HB3 ASN 85 HB1 ASN 85 -17.669 3.075 7.269 647 HD21 ASN 85 HD21 ASN 85 -19.473 0.866 5.139 648 HD22 ASN 85 HD22 ASN 85 -20.133 2.114 4.145 649 H LYS 86 HN LYS 86 -15.349 2.799 5.986 650 HA LYS 86 HA LYS 86 -14.726 1.799 3.380 651 HB2 LYS 86 HB2 LYS 86 -14.969 4.054 2.335 652 HB3 LYS 86 HB1 LYS 86 -16.458 3.211 2.679 653 HG2 LYS 86 HG2 LYS 86 -16.304 4.557 4.924 654 HG3 LYS 86 HG1 LYS 86 -15.315 5.610 3.923 655 HD2 LYS 86 HD2 LYS 86 -17.285 5.426 2.244 656 HD3 LYS 86 HD1 LYS 86 -18.194 4.903 3.662 657 HE2 LYS 86 HE2 LYS 86 -17.483 6.986 4.817 658 HE3 LYS 86 HE1 LYS 86 -16.739 7.519 3.309 659 HZ1 LYS 86 HZ1 LYS 86 -18.916 7.428 2.254 660 HZ2 LYS 86 HZ2 LYS 86 -18.940 8.464 3.587 661 HZ3 LYS 86 HZ3 LYS 86 -19.619 6.922 3.705 662 H VAL 87 HN VAL 87 -12.863 2.714 2.516 663 HA VAL 87 HA VAL 87 -11.239 4.248 4.430 664 HB VAL 87 HB VAL 87 -10.614 1.969 4.799 665 HG11 VAL 87 HG11 VAL 87 -11.490 1.027 2.726 666 HG12 VAL 87 HG12 VAL 87 -9.835 0.489 3.029 667 HG13 VAL 87 HG13 VAL 87 -10.148 1.745 1.831 668 HG21 VAL 87 HG21 VAL 87 -8.761 3.516 4.822 669 HG22 VAL 87 HG22 VAL 87 -8.568 3.366 3.076 670 HG23 VAL 87 HG23 VAL 87 -8.226 1.987 4.120 671 H ALA 88 HN ALA 88 -10.090 5.839 3.545 672 HA ALA 88 HA ALA 88 -10.191 6.127 0.639 673 HB1 ALA 88 HB1 ALA 88 -10.938 8.048 1.898 674 HB2 ALA 88 HB2 ALA 88 -9.444 8.432 1.042 675 HB3 ALA 88 HB3 ALA 88 -9.410 8.100 2.775 676 H ILE 89 HN ILE 89 -8.595 5.213 -0.375 677 HA ILE 89 HA ILE 89 -5.934 5.171 0.865 678 HB ILE 89 HB ILE 89 -6.842 3.549 -1.504 679 HG12 ILE 89 HG12 ILE 89 -7.346 3.198 1.375 680 HG13 ILE 89 HG11 ILE 89 -8.174 2.519 -0.012 681 HG21 ILE 89 HG21 ILE 89 -4.391 3.976 -1.040 682 HG22 ILE 89 HG22 ILE 89 -4.903 2.293 -1.202 683 HG23 ILE 89 HG23 ILE 89 -4.609 2.974 0.396 684 HD11 ILE 89 HD11 ILE 89 -7.263 0.738 1.283 685 HD12 ILE 89 HD12 ILE 89 -5.662 1.483 1.263 686 HD13 ILE 89 HD13 ILE 89 -6.358 0.852 -0.230 687 H SER 90 HN SER 90 -4.750 6.858 0.257 688 HA SER 90 HA SER 90 -5.112 8.166 -2.272 689 HB2 SER 90 HB2 SER 90 -2.791 8.624 -0.418 690 HB3 SER 90 HB1 SER 90 -3.631 9.782 -1.449 691 HG SER 90 HG SER 90 -4.518 10.220 0.455 692 H THR 91 HN THR 91 -4.387 7.298 -4.075 693 HA THR 91 HA THR 91 -2.000 5.615 -4.012 694 HB THR 91 HB THR 91 -2.844 5.091 -6.424 695 HG1 THR 91 HG1 THR 91 -5.212 5.268 -6.438 696 HG21 THR 91 HG21 THR 91 -2.852 3.415 -4.713 697 HG22 THR 91 HG22 THR 91 -4.436 3.394 -5.496 698 HG23 THR 91 HG23 THR 91 -4.239 4.160 -3.917 699 H THR 92 HN THR 92 -0.654 5.686 -5.999 700 HA THR 92 HA THR 92 -0.525 7.978 -7.649 701 HB THR 92 HB THR 92 0.299 9.122 -5.680 702 HG1 THR 92 HG1 THR 92 2.513 8.404 -7.330 703 HG21 THR 92 HG21 THR 92 0.948 7.148 -4.376 704 HG22 THR 92 HG22 THR 92 2.219 8.372 -4.398 705 HG23 THR 92 HG23 THR 92 2.363 6.936 -5.413 706 HA PRO 93 HA PRO 93 1.651 5.073 -10.204 707 HB2 PRO 93 HB2 PRO 93 3.667 7.221 -10.604 708 HB3 PRO 93 HB1 PRO 93 2.855 6.221 -11.803 709 HG2 PRO 93 HG2 PRO 93 2.077 8.731 -11.424 710 HG3 PRO 93 HG1 PRO 93 0.878 7.450 -11.684 711 HD2 PRO 93 HD2 PRO 93 1.636 8.860 -9.167 712 HD3 PRO 93 HD1 PRO 93 0.057 8.233 -9.682 713 H LEU 94 HN LEU 94 3.336 3.669 -10.174 714 HA LEU 94 HA LEU 94 5.248 3.958 -7.967 715 HB2 LEU 94 HB2 LEU 94 4.049 1.941 -7.647 716 HB3 LEU 94 HB1 LEU 94 4.115 1.540 -9.355 717 HG LEU 94 HG LEU 94 6.606 1.197 -9.095 718 HD11 LEU 94 HD11 LEU 94 5.936 1.342 -6.161 719 HD12 LEU 94 HD12 LEU 94 6.921 2.495 -7.062 720 HD13 LEU 94 HD13 LEU 94 7.476 0.834 -6.855 721 HD21 LEU 94 HD21 LEU 94 4.902 -0.581 -7.352 722 HD22 LEU 94 HD22 LEU 94 6.384 -1.015 -8.205 723 HD23 LEU 94 HD23 LEU 94 4.922 -0.638 -9.114 724 H GLU 95 HN GLU 95 6.456 5.407 -9.275 725 HA GLU 95 HA GLU 95 7.864 4.175 -11.525 726 HB2 GLU 95 HB2 GLU 95 7.952 7.041 -10.621 727 HB3 GLU 95 HB1 GLU 95 8.559 6.398 -12.131 728 HG2 GLU 95 HG2 GLU 95 5.644 6.328 -11.371 729 HG3 GLU 95 HG1 GLU 95 6.390 7.629 -12.305 730 H ASN 96 HN ASN 96 9.832 3.484 -11.272 731 HA ASN 96 HA ASN 96 11.620 4.618 -9.296 732 HB2 ASN 96 HB2 ASN 96 10.307 2.873 -8.065 733 HB3 ASN 96 HB1 ASN 96 10.925 1.672 -9.195 734 HD21 ASN 96 HD21 ASN 96 12.970 0.893 -8.939 735 HD22 ASN 96 HD22 ASN 96 13.993 1.316 -7.609 736 H2 PRO 97 HT1 PRO 97 16.011 -2.034 -13.444 737 H3 PRO 97 HT2 PRO 97 14.668 -2.038 -14.377 738 HA PRO 97 HA PRO 97 13.809 -3.734 -13.447 739 HB2 PRO 97 HB2 PRO 97 15.894 -5.443 -12.588 740 HB3 PRO 97 HB1 PRO 97 14.811 -5.683 -13.965 741 HG2 PRO 97 HG2 PRO 97 17.548 -4.540 -13.893 742 HG3 PRO 97 HG1 PRO 97 16.741 -5.454 -15.181 743 HD2 PRO 97 HD2 PRO 97 17.110 -2.819 -15.406 744 HD3 PRO 97 HD1 PRO 97 15.608 -3.574 -15.972 745 H PHE 98 HN PHE 98 13.528 -4.506 -11.244 746 HA PHE 98 HA PHE 98 14.485 -2.599 -9.313 747 HB2 PHE 98 HB2 PHE 98 12.646 -4.991 -9.174 748 HB3 PHE 98 HB1 PHE 98 13.141 -4.124 -7.724 749 HD1 PHE 98 HD1 PHE 98 11.679 -3.447 -11.089 750 HD2 PHE 98 HD2 PHE 98 11.777 -2.429 -6.959 751 HE1 PHE 98 HE1 PHE 98 9.861 -1.825 -11.447 752 HE2 PHE 98 HE2 PHE 98 9.956 -0.816 -7.310 753 HZ PHE 98 HZ PHE 98 8.980 -0.525 -9.530 754 H ASP 99 HN ASP 99 15.755 -3.139 -7.444 755 HA ASP 99 HA ASP 99 17.891 -4.899 -8.014 756 HB2 ASP 99 HB2 ASP 99 18.372 -4.461 -5.456 757 HB3 ASP 99 HB1 ASP 99 18.627 -3.210 -6.665 758 H GLU 100 HN GLU 100 16.343 -5.163 -4.849 759 HA GLU 100 HA GLU 100 15.480 -7.873 -5.408 760 HB2 GLU 100 HB2 GLU 100 17.952 -7.257 -3.879 761 HB3 GLU 100 HB1 GLU 100 16.915 -8.526 -3.249 762 HG2 GLU 100 HG2 GLU 100 17.167 -9.834 -5.196 763 HG3 GLU 100 HG1 GLU 100 17.898 -8.499 -6.082 764 H ASP 101 HN ASP 101 13.670 -8.223 -4.337 765 HA ASP 101 HA ASP 101 12.751 -6.420 -2.311 766 HB2 ASP 101 HB2 ASP 101 11.331 -7.725 -4.026 767 HB3 ASP 101 HB1 ASP 101 11.523 -9.102 -2.947 768 H GLN 102 HN GLN 102 13.735 -6.477 -0.405 769 HA GLN 102 HA GLN 102 14.990 -8.797 0.661 770 HB2 GLN 102 HB2 GLN 102 14.315 -6.182 2.018 771 HB3 GLN 102 HB1 GLN 102 15.377 -7.420 2.670 772 HG2 GLN 102 HG2 GLN 102 15.818 -5.703 0.246 773 HG3 GLN 102 HG1 GLN 102 16.747 -5.730 1.745 774 HE21 GLN 102 HE21 GLN 102 16.238 -7.165 -1.323 775 HE22 GLN 102 HE22 GLN 102 17.544 -8.301 -1.250 776 H HIS 103 HN HIS 103 12.837 -6.946 2.710 777 HA HIS 103 HA HIS 103 11.777 -9.390 3.804 778 HB2 HIS 103 HB2 HIS 103 10.940 -6.578 4.518 779 HB3 HIS 103 HB1 HIS 103 10.810 -8.030 5.506 780 HD2 HIS 103 HD2 HIS 103 13.137 -8.823 6.804 781 HE1 HIS 103 HE1 HIS 103 15.370 -5.412 5.669 782 HE2 HIS 103 HE2 HIS 103 15.399 -7.563 7.002 783 H THR 104 HN THR 104 10.635 -10.225 2.066 784 HA THR 104 HA THR 104 8.559 -8.843 0.722 785 HB THR 104 HB THR 104 8.017 -11.590 0.569 786 HG1 THR 104 HG1 THR 104 9.988 -12.031 1.619 787 HG21 THR 104 HG21 THR 104 7.996 -9.971 -1.289 788 HG22 THR 104 HG22 THR 104 8.944 -11.406 -1.677 789 HG23 THR 104 HG23 THR 104 9.758 -9.905 -1.236 790 H GLN 105 HN GLN 105 7.064 -7.980 2.182 791 HA GLN 105 HA GLN 105 5.667 -9.930 3.891 792 HB2 GLN 105 HB2 GLN 105 5.965 -6.945 4.083 793 HB3 GLN 105 HB1 GLN 105 4.709 -7.801 4.964 794 HG2 GLN 105 HG2 GLN 105 6.505 -9.189 6.004 795 HG3 GLN 105 HG1 GLN 105 7.683 -8.114 5.243 796 HE21 GLN 105 HE21 GLN 105 5.275 -8.436 7.709 797 HE22 GLN 105 HE22 GLN 105 5.623 -6.953 8.529 798 H ILE 106 HN ILE 106 3.615 -10.459 3.465 799 HA ILE 106 HA ILE 106 2.088 -8.774 1.600 800 HB ILE 106 HB ILE 106 2.404 -11.759 1.413 801 HG12 ILE 106 HG12 ILE 106 3.203 -9.766 -0.683 802 HG13 ILE 106 HG11 ILE 106 4.308 -10.241 0.601 803 HG21 ILE 106 HG21 ILE 106 0.799 -9.881 -0.310 804 HG22 ILE 106 HG22 ILE 106 0.151 -11.073 0.815 805 HG23 ILE 106 HG23 ILE 106 1.034 -11.602 -0.615 806 HD11 ILE 106 HD11 ILE 106 3.039 -12.089 -1.402 807 HD12 ILE 106 HD12 ILE 106 4.158 -12.561 -0.124 808 HD13 ILE 106 HD13 ILE 106 4.703 -11.508 -1.430 809 H THR 107 HN THR 107 0.030 -8.467 2.247 810 HA THR 107 HA THR 107 -1.347 -10.493 3.804 811 HB THR 107 HB THR 107 -0.958 -7.694 4.900 812 HG1 THR 107 HG1 THR 107 0.692 -9.567 5.139 813 HG21 THR 107 HG21 THR 107 -2.582 -10.019 5.942 814 HG22 THR 107 HG22 THR 107 -3.200 -8.468 5.375 815 HG23 THR 107 HG23 THR 107 -2.237 -8.547 6.850 816 H LYS 108 HN LYS 108 -3.381 -10.635 3.100 817 HA LYS 108 HA LYS 108 -4.452 -8.620 1.327 818 HB2 LYS 108 HB2 LYS 108 -5.647 -11.184 2.416 819 HB3 LYS 108 HB1 LYS 108 -6.447 -10.140 1.250 820 HG2 LYS 108 HG2 LYS 108 -4.556 -10.511 -0.309 821 HG3 LYS 108 HG1 LYS 108 -3.877 -11.657 0.849 822 HD2 LYS 108 HD2 LYS 108 -5.965 -12.983 0.695 823 HD3 LYS 108 HD1 LYS 108 -6.544 -11.871 -0.547 824 HE2 LYS 108 HE2 LYS 108 -3.962 -13.396 -0.773 825 HE3 LYS 108 HE1 LYS 108 -5.496 -14.018 -1.375 826 HZ1 LYS 108 HZ1 LYS 108 -5.624 -12.341 -2.971 827 HZ2 LYS 108 HZ2 LYS 108 -3.998 -12.802 -3.006 828 HZ3 LYS 108 HZ3 LYS 108 -4.454 -11.376 -2.217 829 H VAL 109 HN VAL 109 -6.197 -7.224 1.825 830 HA VAL 109 HA VAL 109 -6.985 -7.232 4.643 831 HB VAL 109 HB VAL 109 -5.215 -5.583 4.364 832 HG11 VAL 109 HG11 VAL 109 -6.988 -4.300 2.294 833 HG12 VAL 109 HG12 VAL 109 -5.488 -5.174 1.972 834 HG13 VAL 109 HG13 VAL 109 -5.454 -3.665 2.889 835 HG21 VAL 109 HG21 VAL 109 -7.097 -5.129 5.913 836 HG22 VAL 109 HG22 VAL 109 -7.866 -4.180 4.645 837 HG23 VAL 109 HG23 VAL 109 -6.317 -3.670 5.309 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 2.944 20.957 -2.515 2 H2 GLY 1 HT2 GLY 1 3.229 21.306 -4.143 3 H3 GLY 1 HT3 GLY 1 3.890 19.913 -3.448 4 HA2 GLY 1 HA1 GLY 1 1.006 20.450 -3.862 5 HA3 GLY 1 HA2 GLY 1 1.993 19.353 -4.816 6 H GLY 2 HN GLY 2 -0.266 19.408 -2.502 7 HA2 GLY 2 HA2 GLY 2 0.810 17.015 -1.141 8 HA3 GLY 2 HA1 GLY 2 -0.295 18.156 -0.385 9 H SER 3 HN SER 3 -2.239 18.520 -2.194 10 HA SER 3 HA SER 3 -3.367 15.822 -2.478 11 HB2 SER 3 HB2 SER 3 -4.888 18.435 -2.361 12 HB3 SER 3 HB1 SER 3 -5.551 16.805 -2.242 13 HG SER 3 HG SER 3 -3.661 17.851 -0.405 14 H MET 4 HN MET 4 -2.630 15.291 -4.470 15 HA MET 4 HA MET 4 -3.707 16.858 -6.715 16 HB2 MET 4 HB2 MET 4 -1.343 17.287 -6.687 17 HB3 MET 4 HB1 MET 4 -0.979 15.581 -6.478 18 HG2 MET 4 HG2 MET 4 -0.508 16.202 -8.731 19 HG3 MET 4 HG1 MET 4 -1.917 15.145 -8.716 20 HE1 MET 4 HE1 MET 4 -2.597 17.577 -11.723 21 HE2 MET 4 HE2 MET 4 -2.599 15.889 -11.217 22 HE3 MET 4 HE3 MET 4 -1.096 16.810 -11.204 23 H ARG 5 HN ARG 5 -2.596 13.728 -5.536 24 HA ARG 5 HA ARG 5 -3.874 12.360 -7.760 25 HB2 ARG 5 HB2 ARG 5 -2.035 11.544 -5.561 26 HB3 ARG 5 HB1 ARG 5 -3.006 10.316 -6.354 27 HG2 ARG 5 HG2 ARG 5 -1.002 10.264 -7.517 28 HG3 ARG 5 HG1 ARG 5 -2.040 11.262 -8.537 29 HD2 ARG 5 HD2 ARG 5 -1.035 13.277 -7.614 30 HD3 ARG 5 HD1 ARG 5 -0.026 12.301 -6.546 31 HE ARG 5 HE ARG 5 0.206 11.852 -9.423 32 HH11 ARG 5 HH11 ARG 5 1.560 13.235 -6.510 33 HH12 ARG 5 HH12 ARG 5 3.146 13.424 -7.188 34 HH21 ARG 5 HH21 ARG 5 2.300 12.061 -10.303 35 HH22 ARG 5 HH22 ARG 5 3.573 12.733 -9.332 36 HA PRO 6 HA PRO 6 -7.602 11.897 -5.353 37 HB2 PRO 6 HB2 PRO 6 -8.933 10.350 -7.137 38 HB3 PRO 6 HB1 PRO 6 -8.716 12.084 -7.353 39 HG2 PRO 6 HG2 PRO 6 -7.165 9.819 -8.524 40 HG3 PRO 6 HG1 PRO 6 -7.820 11.262 -9.308 41 HD2 PRO 6 HD2 PRO 6 -5.232 11.083 -8.588 42 HD3 PRO 6 HD1 PRO 6 -6.117 12.620 -8.521 43 HA PRO 7 HA PRO 7 -6.581 7.999 -3.402 44 HB2 PRO 7 HB2 PRO 7 -9.065 8.358 -1.898 45 HB3 PRO 7 HB1 PRO 7 -7.405 8.277 -1.307 46 HG2 PRO 7 HG2 PRO 7 -8.834 10.556 -1.303 47 HG3 PRO 7 HG1 PRO 7 -7.077 10.540 -1.545 48 HD2 PRO 7 HD2 PRO 7 -9.265 10.854 -3.562 49 HD3 PRO 7 HD1 PRO 7 -7.684 11.661 -3.474 50 H ILE 8 HN ILE 8 -7.383 5.920 -3.257 51 HA ILE 8 HA ILE 8 -9.511 5.284 -5.147 52 HB ILE 8 HB ILE 8 -7.562 3.451 -3.764 53 HG12 ILE 8 HG12 ILE 8 -6.562 5.234 -5.303 54 HG13 ILE 8 HG11 ILE 8 -6.149 3.561 -5.640 55 HG21 ILE 8 HG21 ILE 8 -9.444 2.214 -4.489 56 HG22 ILE 8 HG22 ILE 8 -8.163 1.927 -5.666 57 HG23 ILE 8 HG23 ILE 8 -9.475 3.044 -6.045 58 HD11 ILE 8 HD11 ILE 8 -8.327 5.038 -7.081 59 HD12 ILE 8 HD12 ILE 8 -7.600 3.484 -7.505 60 HD13 ILE 8 HD13 ILE 8 -6.654 4.967 -7.636 61 H ILE 9 HN ILE 9 -11.357 5.734 -3.865 62 HA ILE 9 HA ILE 9 -11.666 4.737 -1.230 63 HB ILE 9 HB ILE 9 -13.638 5.810 -3.240 64 HG12 ILE 9 HG12 ILE 9 -13.710 7.753 -1.935 65 HG13 ILE 9 HG11 ILE 9 -12.901 6.998 -0.585 66 HG21 ILE 9 HG21 ILE 9 -15.008 4.398 -2.013 67 HG22 ILE 9 HG22 ILE 9 -15.164 5.944 -1.176 68 HG23 ILE 9 HG23 ILE 9 -14.120 4.680 -0.516 69 HD11 ILE 9 HD11 ILE 9 -11.440 8.576 -1.607 70 HD12 ILE 9 HD12 ILE 9 -11.701 7.860 -3.198 71 HD13 ILE 9 HD13 ILE 9 -10.836 6.956 -1.954 72 H ILE 10 HN ILE 10 -11.364 2.576 -1.090 73 HA ILE 10 HA ILE 10 -12.869 0.754 -2.788 74 HB ILE 10 HB ILE 10 -10.893 0.107 -0.607 75 HG12 ILE 10 HG12 ILE 10 -10.306 0.126 -3.550 76 HG13 ILE 10 HG11 ILE 10 -10.081 1.565 -2.570 77 HG21 ILE 10 HG21 ILE 10 -12.198 -1.799 -1.114 78 HG22 ILE 10 HG22 ILE 10 -10.677 -2.003 -1.986 79 HG23 ILE 10 HG23 ILE 10 -12.122 -1.481 -2.848 80 HD11 ILE 10 HD11 ILE 10 -8.486 0.383 -1.177 81 HD12 ILE 10 HD12 ILE 10 -8.005 0.318 -2.874 82 HD13 ILE 10 HD13 ILE 10 -8.744 -1.089 -2.111 83 H HIS 11 HN HIS 11 -14.507 -0.490 -2.095 84 HA HIS 11 HA HIS 11 -15.667 0.098 0.509 85 HB2 HIS 11 HB2 HIS 11 -16.571 -1.322 -1.979 86 HB3 HIS 11 HB1 HIS 11 -17.406 -1.622 -0.460 87 HD2 HIS 11 HD2 HIS 11 -16.629 1.914 -0.176 88 HE1 HIS 11 HE1 HIS 11 -20.192 1.805 -2.441 89 HE2 HIS 11 HE2 HIS 11 -18.747 3.214 -0.913 90 H ARG 12 HN ARG 12 -16.076 -1.458 2.099 91 HA ARG 12 HA ARG 12 -14.115 -3.472 2.400 92 HB2 ARG 12 HB2 ARG 12 -15.342 -3.980 4.473 93 HB3 ARG 12 HB1 ARG 12 -15.079 -2.259 4.283 94 HG2 ARG 12 HG2 ARG 12 -17.336 -1.887 3.689 95 HG3 ARG 12 HG1 ARG 12 -17.638 -3.617 3.510 96 HD2 ARG 12 HD2 ARG 12 -17.153 -3.912 5.888 97 HD3 ARG 12 HD1 ARG 12 -16.965 -2.178 6.062 98 HE ARG 12 HE ARG 12 -19.511 -3.065 4.991 99 HH11 ARG 12 HH11 ARG 12 -17.680 -2.148 7.831 100 HH12 ARG 12 HH12 ARG 12 -19.091 -1.799 8.778 101 HH21 ARG 12 HH21 ARG 12 -21.367 -2.607 6.237 102 HH22 ARG 12 HH22 ARG 12 -21.187 -2.063 7.876 103 H ALA 13 HN ALA 13 -14.225 -5.656 2.151 104 HA ALA 13 HA ALA 13 -16.737 -6.786 1.093 105 HB1 ALA 13 HB1 ALA 13 -15.365 -6.707 -0.796 106 HB2 ALA 13 HB2 ALA 13 -15.143 -8.351 -0.197 107 HB3 ALA 13 HB3 ALA 13 -13.917 -7.123 0.119 108 H GLY 14 HN GLY 14 -16.468 -6.893 3.697 109 HA2 GLY 14 HA2 GLY 14 -16.789 -8.602 5.270 110 HA3 GLY 14 HA1 GLY 14 -15.928 -9.711 4.209 111 H LYS 15 HN LYS 15 -13.705 -9.859 4.317 112 HA LYS 15 HA LYS 15 -12.503 -8.565 6.664 113 HB2 LYS 15 HB2 LYS 15 -12.623 -11.067 6.597 114 HB3 LYS 15 HB1 LYS 15 -11.512 -10.991 5.247 115 HG2 LYS 15 HG2 LYS 15 -9.824 -9.960 6.618 116 HG3 LYS 15 HG1 LYS 15 -10.941 -9.902 7.981 117 HD2 LYS 15 HD2 LYS 15 -9.595 -11.772 8.392 118 HD3 LYS 15 HD1 LYS 15 -11.096 -12.433 7.740 119 HE2 LYS 15 HE2 LYS 15 -10.049 -12.585 5.523 120 HE3 LYS 15 HE1 LYS 15 -8.548 -11.951 6.195 121 HZ1 LYS 15 HZ1 LYS 15 -8.316 -13.879 7.551 122 HZ2 LYS 15 HZ2 LYS 15 -8.605 -14.400 5.968 123 HZ3 LYS 15 HZ3 LYS 15 -9.846 -14.456 7.114 124 H LYS 16 HN LYS 16 -12.309 -8.956 3.259 125 HA LYS 16 HA LYS 16 -9.781 -7.452 3.185 126 HB2 LYS 16 HB2 LYS 16 -10.949 -9.485 1.295 127 HB3 LYS 16 HB1 LYS 16 -9.660 -8.398 0.807 128 HG2 LYS 16 HG2 LYS 16 -8.321 -9.300 2.736 129 HG3 LYS 16 HG1 LYS 16 -9.580 -10.524 2.926 130 HD2 LYS 16 HD2 LYS 16 -7.875 -11.500 1.587 131 HD3 LYS 16 HD1 LYS 16 -9.217 -11.116 0.507 132 HE2 LYS 16 HE2 LYS 16 -7.930 -8.885 0.132 133 HE3 LYS 16 HE1 LYS 16 -6.550 -9.772 0.783 134 HZ1 LYS 16 HZ1 LYS 16 -8.179 -10.606 -1.555 135 HZ2 LYS 16 HZ2 LYS 16 -6.817 -11.409 -0.958 136 HZ3 LYS 16 HZ3 LYS 16 -6.659 -9.870 -1.640 137 H TYR 17 HN TYR 17 -9.573 -6.332 0.953 138 HA TYR 17 HA TYR 17 -12.081 -4.881 0.379 139 HB2 TYR 17 HB2 TYR 17 -9.236 -3.853 0.244 140 HB3 TYR 17 HB1 TYR 17 -10.672 -2.941 -0.205 141 HD1 TYR 17 HD2 TYR 17 -8.843 -4.452 2.570 142 HD2 TYR 17 HD1 TYR 17 -12.061 -1.922 1.462 143 HE1 TYR 17 HE2 TYR 17 -9.048 -3.760 4.887 144 HE2 TYR 17 HE1 TYR 17 -12.298 -1.180 3.792 145 HH TYR 17 HH TYR 17 -9.979 -1.644 6.101 146 H GLY 18 HN GLY 18 -9.822 -7.015 -0.772 147 HA2 GLY 18 HA2 GLY 18 -10.326 -8.025 -2.921 148 HA3 GLY 18 HA1 GLY 18 -10.665 -6.416 -3.514 149 H PHE 19 HN PHE 19 -7.898 -6.454 -1.574 150 HA PHE 19 HA PHE 19 -6.226 -7.050 -3.887 151 HB2 PHE 19 HB2 PHE 19 -4.972 -5.030 -3.815 152 HB3 PHE 19 HB1 PHE 19 -6.664 -4.625 -3.940 153 HD1 PHE 19 HD1 PHE 19 -7.867 -3.728 -1.922 154 HD2 PHE 19 HD2 PHE 19 -3.648 -4.290 -2.017 155 HE1 PHE 19 HE1 PHE 19 -7.619 -2.199 -0.007 156 HE2 PHE 19 HE2 PHE 19 -3.398 -2.771 -0.102 157 HZ PHE 19 HZ PHE 19 -5.383 -1.726 0.909 158 H THR 20 HN THR 20 -3.923 -6.805 -3.399 159 HA THR 20 HA THR 20 -3.308 -8.045 -0.787 160 HB THR 20 HB THR 20 -1.804 -8.372 -3.386 161 HG1 THR 20 HG1 THR 20 -4.058 -9.392 -2.962 162 HG21 THR 20 HG21 THR 20 -0.692 -10.238 -2.205 163 HG22 THR 20 HG22 THR 20 -1.538 -9.774 -0.729 164 HG23 THR 20 HG23 THR 20 -0.362 -8.673 -1.455 165 H LEU 21 HN LEU 21 -2.234 -6.691 0.490 166 HA LEU 21 HA LEU 21 -0.651 -4.546 -0.699 167 HB2 LEU 21 HB2 LEU 21 -2.242 -3.973 1.094 168 HB3 LEU 21 HB1 LEU 21 -1.405 -5.061 2.184 169 HG LEU 21 HG LEU 21 0.613 -3.654 2.020 170 HD11 LEU 21 HD11 LEU 21 0.322 -2.724 -0.181 171 HD12 LEU 21 HD12 LEU 21 0.422 -1.419 1.000 172 HD13 LEU 21 HD13 LEU 21 -1.141 -1.887 0.331 173 HD21 LEU 21 HD21 LEU 21 -1.891 -2.177 2.799 174 HD22 LEU 21 HD22 LEU 21 -0.251 -1.762 3.300 175 HD23 LEU 21 HD23 LEU 21 -0.974 -3.285 3.819 176 H ARG 22 HN ARG 22 1.503 -4.743 -0.870 177 HA ARG 22 HA ARG 22 2.793 -6.712 0.887 178 HB2 ARG 22 HB2 ARG 22 3.221 -6.332 -2.072 179 HB3 ARG 22 HB1 ARG 22 4.332 -7.225 -1.052 180 HG2 ARG 22 HG2 ARG 22 2.099 -8.511 -0.395 181 HG3 ARG 22 HG1 ARG 22 1.615 -7.934 -1.985 182 HD2 ARG 22 HD2 ARG 22 2.657 -10.189 -1.994 183 HD3 ARG 22 HD1 ARG 22 3.453 -9.016 -3.034 184 HE ARG 22 HE ARG 22 4.488 -9.673 -0.354 185 HH11 ARG 22 HH11 ARG 22 4.958 -9.294 -3.804 186 HH12 ARG 22 HH12 ARG 22 6.672 -9.529 -3.721 187 HH21 ARG 22 HH21 ARG 22 6.748 -10.014 -0.260 188 HH22 ARG 22 HH22 ARG 22 7.691 -9.929 -1.724 189 H ALA 23 HN ALA 23 4.493 -6.030 1.938 190 HA ALA 23 HA ALA 23 5.389 -3.309 1.619 191 HB1 ALA 23 HB1 ALA 23 6.691 -3.720 3.610 192 HB2 ALA 23 HB2 ALA 23 6.421 -5.459 3.469 193 HB3 ALA 23 HB3 ALA 23 5.072 -4.384 3.840 194 H ILE 24 HN ILE 24 6.602 -3.036 -0.186 195 HA ILE 24 HA ILE 24 8.528 -5.062 -0.941 196 HB ILE 24 HB ILE 24 8.984 -3.608 -2.905 197 HG12 ILE 24 HG12 ILE 24 6.560 -1.998 -2.195 198 HG13 ILE 24 HG11 ILE 24 8.129 -1.513 -1.557 199 HG21 ILE 24 HG21 ILE 24 6.758 -3.979 -3.960 200 HG22 ILE 24 HG22 ILE 24 6.124 -4.398 -2.369 201 HG23 ILE 24 HG23 ILE 24 7.387 -5.388 -3.104 202 HD11 ILE 24 HD11 ILE 24 9.001 -1.250 -3.779 203 HD12 ILE 24 HD12 ILE 24 7.490 -0.351 -3.639 204 HD13 ILE 24 HD13 ILE 24 7.518 -1.902 -4.477 205 H ARG 25 HN ARG 25 10.718 -4.795 -1.066 206 HA ARG 25 HA ARG 25 11.786 -2.683 0.672 207 HB2 ARG 25 HB2 ARG 25 12.015 -5.205 1.191 208 HB3 ARG 25 HB1 ARG 25 13.223 -5.212 -0.084 209 HG2 ARG 25 HG2 ARG 25 14.614 -3.708 1.116 210 HG3 ARG 25 HG1 ARG 25 13.346 -3.393 2.306 211 HD2 ARG 25 HD2 ARG 25 13.464 -5.642 3.118 212 HD3 ARG 25 HD1 ARG 25 14.570 -6.102 1.827 213 HE ARG 25 HE ARG 25 15.207 -4.570 4.227 214 HH11 ARG 25 HH11 ARG 25 16.256 -5.911 1.171 215 HH12 ARG 25 HH12 ARG 25 17.952 -5.758 1.537 216 HH21 ARG 25 HH21 ARG 25 17.437 -4.408 4.729 217 HH22 ARG 25 HH22 ARG 25 18.617 -4.915 3.560 218 H VAL 26 HN VAL 26 12.598 -1.060 -0.450 219 HA VAL 26 HA VAL 26 14.092 -1.651 -2.922 220 HB VAL 26 HB VAL 26 12.603 0.868 -2.156 221 HG11 VAL 26 HG11 VAL 26 13.187 1.691 -4.389 222 HG12 VAL 26 HG12 VAL 26 14.166 0.250 -4.664 223 HG13 VAL 26 HG13 VAL 26 14.626 1.401 -3.410 224 HG21 VAL 26 HG21 VAL 26 11.128 -0.944 -2.837 225 HG22 VAL 26 HG22 VAL 26 12.068 -1.172 -4.311 226 HG23 VAL 26 HG23 VAL 26 11.165 0.323 -4.065 227 H TYR 27 HN TYR 27 16.227 -1.275 -2.833 228 HA TYR 27 HA TYR 27 17.363 -0.058 -0.503 229 HB2 TYR 27 HB2 TYR 27 18.459 -1.235 -3.008 230 HB3 TYR 27 HB1 TYR 27 19.494 -0.253 -2.000 231 HD1 TYR 27 HD1 TYR 27 19.209 -0.912 0.635 232 HD2 TYR 27 HD2 TYR 27 18.654 -3.509 -2.688 233 HE1 TYR 27 HE1 TYR 27 19.662 -2.846 2.081 234 HE2 TYR 27 HE2 TYR 27 19.107 -5.452 -1.248 235 HH TYR 27 HH TYR 27 20.403 -5.857 0.954 236 H MET 28 HN MET 28 18.370 1.859 -0.314 237 HA MET 28 HA MET 28 17.480 3.995 -1.954 238 HB2 MET 28 HB2 MET 28 19.270 3.692 0.419 239 HB3 MET 28 HB1 MET 28 19.324 5.184 -0.489 240 HG2 MET 28 HG2 MET 28 16.880 3.991 0.777 241 HG3 MET 28 HG1 MET 28 17.832 5.321 1.422 242 HE1 MET 28 HE1 MET 28 14.896 7.524 0.415 243 HE2 MET 28 HE2 MET 28 16.269 7.348 1.508 244 HE3 MET 28 HE3 MET 28 15.043 6.084 1.424 245 H GLY 29 HN GLY 29 18.566 5.131 -3.517 246 HA2 GLY 29 HA2 GLY 29 20.790 3.776 -4.770 247 HA3 GLY 29 HA1 GLY 29 19.940 5.183 -5.387 248 H ASP 30 HN ASP 30 21.884 4.433 -2.501 249 HA ASP 30 HA ASP 30 23.959 6.237 -3.226 250 HB2 ASP 30 HB2 ASP 30 23.638 7.763 -1.206 251 HB3 ASP 30 HB1 ASP 30 22.569 8.032 -2.573 252 H SER 31 HN SER 31 22.404 4.958 -0.284 253 HA SER 31 HA SER 31 25.039 3.942 0.534 254 HB2 SER 31 HB2 SER 31 22.686 4.267 2.382 255 HB3 SER 31 HB1 SER 31 24.401 4.220 2.777 256 HG SER 31 HG SER 31 23.113 6.292 1.307 257 H ASP 32 HN ASP 32 23.924 2.204 2.561 258 HA ASP 32 HA ASP 32 23.065 0.014 0.796 259 HB2 ASP 32 HB2 ASP 32 23.746 -1.454 2.710 260 HB3 ASP 32 HB1 ASP 32 25.071 -0.558 1.975 261 H VAL 33 HN VAL 33 21.913 2.168 2.999 262 HA VAL 33 HA VAL 33 20.070 0.710 4.503 263 HB VAL 33 HB VAL 33 20.628 2.981 5.075 264 HG11 VAL 33 HG11 VAL 33 20.877 3.781 2.726 265 HG12 VAL 33 HG12 VAL 33 19.999 4.887 3.781 266 HG13 VAL 33 HG13 VAL 33 19.121 3.875 2.635 267 HG21 VAL 33 HG21 VAL 33 17.726 2.891 4.314 268 HG22 VAL 33 HG22 VAL 33 18.463 3.860 5.591 269 HG23 VAL 33 HG23 VAL 33 18.414 2.103 5.735 270 H TYR 34 HN TYR 34 17.874 0.393 4.275 271 HA TYR 34 HA TYR 34 17.006 0.170 1.483 272 HB2 TYR 34 HB2 TYR 34 15.445 -1.531 2.204 273 HB3 TYR 34 HB1 TYR 34 17.053 -1.940 2.775 274 HD1 TYR 34 HD1 TYR 34 17.597 -1.728 5.192 275 HD2 TYR 34 HD2 TYR 34 13.656 -1.063 3.726 276 HE1 TYR 34 HE1 TYR 34 16.713 -1.937 7.478 277 HE2 TYR 34 HE2 TYR 34 12.768 -1.273 6.003 278 HH TYR 34 HH TYR 34 14.840 -1.402 8.786 279 H THR 35 HN THR 35 14.604 0.213 1.280 280 HA THR 35 HA THR 35 13.328 2.261 2.929 281 HB THR 35 HB THR 35 12.825 2.512 0.032 282 HG1 THR 35 HG1 THR 35 15.067 2.218 -0.029 283 HG21 THR 35 HG21 THR 35 12.771 4.857 0.540 284 HG22 THR 35 HG22 THR 35 13.549 4.586 2.099 285 HG23 THR 35 HG23 THR 35 11.904 4.008 1.821 286 H VAL 36 HN VAL 36 11.635 1.146 3.683 287 HA VAL 36 HA VAL 36 10.416 -0.931 2.072 288 HB VAL 36 HB VAL 36 10.719 -1.561 4.334 289 HG11 VAL 36 HG11 VAL 36 9.703 -0.301 6.224 290 HG12 VAL 36 HG12 VAL 36 9.336 1.002 5.093 291 HG13 VAL 36 HG13 VAL 36 11.012 0.550 5.405 292 HG21 VAL 36 HG21 VAL 36 8.421 -1.979 5.128 293 HG22 VAL 36 HG22 VAL 36 8.638 -2.347 3.416 294 HG23 VAL 36 HG23 VAL 36 7.822 -0.860 3.902 295 H HIS 37 HN HIS 37 8.958 -0.427 0.640 296 HA HIS 37 HA HIS 37 7.181 1.867 1.124 297 HB2 HIS 37 HB2 HIS 37 7.921 0.482 -1.464 298 HB3 HIS 37 HB1 HIS 37 6.770 1.796 -1.331 299 HD2 HIS 37 HD2 HIS 37 10.583 1.169 -1.362 300 HE1 HIS 37 HE1 HIS 37 9.884 5.339 -1.339 301 HE2 HIS 37 HE2 HIS 37 11.583 3.521 -1.801 302 H HIS 38 HN HIS 38 4.944 1.632 0.676 303 HA HIS 38 HA HIS 38 4.012 -1.136 0.942 304 HB2 HIS 38 HB2 HIS 38 2.476 1.409 1.520 305 HB3 HIS 38 HB1 HIS 38 1.975 -0.234 1.913 306 HD2 HIS 38 HD2 HIS 38 3.881 2.671 3.425 307 HE1 HIS 38 HE1 HIS 38 4.754 -0.720 5.795 308 HE2 HIS 38 HE2 HIS 38 5.088 1.778 5.534 309 H MET 39 HN MET 39 3.698 -1.928 -1.029 310 HA MET 39 HA MET 39 2.139 -0.295 -2.919 311 HB2 MET 39 HB2 MET 39 4.249 -0.473 -3.920 312 HB3 MET 39 HB1 MET 39 4.476 -2.128 -3.370 313 HG2 MET 39 HG2 MET 39 2.187 -1.870 -5.132 314 HG3 MET 39 HG1 MET 39 3.676 -1.316 -5.894 315 HE1 MET 39 HE1 MET 39 5.726 -4.371 -6.495 316 HE2 MET 39 HE2 MET 39 5.945 -2.823 -5.679 317 HE3 MET 39 HE3 MET 39 5.088 -2.894 -7.223 318 H VAL 40 HN VAL 40 0.394 -1.170 -3.841 319 HA VAL 40 HA VAL 40 -0.644 -3.624 -2.826 320 HB VAL 40 HB VAL 40 -2.359 -2.148 -3.338 321 HG11 VAL 40 HG11 VAL 40 -2.517 -0.865 -5.450 322 HG12 VAL 40 HG12 VAL 40 -0.928 -1.484 -5.900 323 HG13 VAL 40 HG13 VAL 40 -1.104 -0.460 -4.477 324 HG21 VAL 40 HG21 VAL 40 -3.340 -2.952 -5.624 325 HG22 VAL 40 HG22 VAL 40 -3.218 -4.062 -4.256 326 HG23 VAL 40 HG23 VAL 40 -2.015 -4.117 -5.544 327 H TRP 41 HN TRP 41 -0.031 -5.540 -3.499 328 HA TRP 41 HA TRP 41 1.657 -5.805 -5.823 329 HB2 TRP 41 HB2 TRP 41 2.219 -6.911 -3.713 330 HB3 TRP 41 HB1 TRP 41 0.729 -7.848 -3.802 331 HD1 TRP 41 HD1 TRP 41 0.812 -10.062 -5.156 332 HE1 TRP 41 HE1 TRP 41 2.629 -11.281 -6.512 333 HE3 TRP 41 HE3 TRP 41 4.330 -6.361 -5.289 334 HZ2 TRP 41 HZ2 TRP 41 5.216 -10.737 -7.512 335 HZ3 TRP 41 HZ3 TRP 41 6.450 -6.789 -6.466 336 HH2 TRP 41 HH2 TRP 41 6.880 -8.934 -7.552 337 H HIS 42 HN HIS 42 -1.602 -6.813 -4.917 338 HA HIS 42 HA HIS 42 -2.105 -7.443 -7.704 339 HB2 HIS 42 HB2 HIS 42 -1.198 -9.554 -6.591 340 HB3 HIS 42 HB1 HIS 42 -2.645 -9.551 -5.590 341 HD2 HIS 42 HD2 HIS 42 -1.532 -10.329 -9.220 342 HE1 HIS 42 HE1 HIS 42 -5.578 -11.463 -8.760 343 HE2 HIS 42 HE2 HIS 42 -3.496 -11.721 -10.178 344 H VAL 43 HN VAL 43 -4.259 -7.382 -8.242 345 HA VAL 43 HA VAL 43 -6.133 -6.673 -6.086 346 HB VAL 43 HB VAL 43 -6.058 -5.412 -8.840 347 HG11 VAL 43 HG11 VAL 43 -8.312 -5.598 -7.984 348 HG12 VAL 43 HG12 VAL 43 -7.789 -3.914 -7.939 349 HG13 VAL 43 HG13 VAL 43 -7.819 -4.868 -6.457 350 HG21 VAL 43 HG21 VAL 43 -4.217 -4.600 -7.457 351 HG22 VAL 43 HG22 VAL 43 -5.351 -4.211 -6.165 352 HG23 VAL 43 HG23 VAL 43 -5.429 -3.341 -7.696 353 H GLU 44 HN GLU 44 -7.926 -7.871 -6.079 354 HA GLU 44 HA GLU 44 -8.284 -10.101 -7.652 355 HB2 GLU 44 HB2 GLU 44 -10.255 -8.463 -6.062 356 HB3 GLU 44 HB1 GLU 44 -10.578 -10.051 -6.701 357 HG2 GLU 44 HG2 GLU 44 -8.474 -9.368 -4.687 358 HG3 GLU 44 HG1 GLU 44 -10.000 -10.186 -4.366 359 H ASP 45 HN ASP 45 -9.223 -10.499 -9.554 360 HA ASP 45 HA ASP 45 -9.715 -8.447 -11.400 361 HB2 ASP 45 HB2 ASP 45 -10.457 -11.374 -11.438 362 HB3 ASP 45 HB1 ASP 45 -10.717 -10.298 -12.806 363 H GLY 46 HN GLY 46 -11.286 -7.011 -11.131 364 HA2 GLY 46 HA2 GLY 46 -13.468 -6.234 -11.216 365 HA3 GLY 46 HA1 GLY 46 -14.029 -7.899 -11.168 366 H GLY 47 HN GLY 47 -11.784 -7.045 -8.744 367 HA2 GLY 47 HA2 GLY 47 -13.742 -7.460 -6.679 368 HA3 GLY 47 HA1 GLY 47 -12.032 -7.128 -6.443 369 HA PRO 48 HA PRO 48 -14.867 -3.447 -5.250 370 HB2 PRO 48 HB2 PRO 48 -13.122 -3.807 -2.862 371 HB3 PRO 48 HB1 PRO 48 -14.831 -3.351 -2.925 372 HG2 PRO 48 HG2 PRO 48 -14.202 -5.778 -2.207 373 HG3 PRO 48 HG1 PRO 48 -15.450 -5.550 -3.438 374 HD2 PRO 48 HD2 PRO 48 -12.576 -6.262 -3.832 375 HD3 PRO 48 HD1 PRO 48 -14.015 -7.015 -4.511 376 H ALA 49 HN ALA 49 -11.526 -4.050 -4.345 377 HA ALA 49 HA ALA 49 -10.651 -1.392 -4.534 378 HB1 ALA 49 HB1 ALA 49 -9.064 -3.933 -4.909 379 HB2 ALA 49 HB2 ALA 49 -9.319 -3.067 -3.393 380 HB3 ALA 49 HB3 ALA 49 -8.364 -2.330 -4.681 381 H SER 50 HN SER 50 -10.875 -3.915 -6.952 382 HA SER 50 HA SER 50 -9.498 -2.581 -9.025 383 HB2 SER 50 HB2 SER 50 -10.457 -5.069 -8.756 384 HB3 SER 50 HB1 SER 50 -11.796 -4.367 -9.664 385 HG SER 50 HG SER 50 -9.063 -4.542 -10.419 386 H GLU 51 HN GLU 51 -12.804 -2.619 -7.895 387 HA GLU 51 HA GLU 51 -13.913 -1.089 -10.026 388 HB2 GLU 51 HB2 GLU 51 -14.967 -1.433 -7.214 389 HB3 GLU 51 HB1 GLU 51 -15.892 -0.917 -8.619 390 HG2 GLU 51 HG2 GLU 51 -15.453 -3.134 -9.639 391 HG3 GLU 51 HG1 GLU 51 -14.673 -3.621 -8.140 392 H ALA 52 HN ALA 52 -12.566 -0.401 -6.909 393 HA ALA 52 HA ALA 52 -13.257 2.344 -6.790 394 HB1 ALA 52 HB1 ALA 52 -11.009 0.904 -5.405 395 HB2 ALA 52 HB2 ALA 52 -12.679 0.953 -4.837 396 HB3 ALA 52 HB3 ALA 52 -11.732 2.440 -4.930 397 H GLY 53 HN GLY 53 -10.724 0.573 -8.364 398 HA2 GLY 53 HA2 GLY 53 -9.662 1.699 -10.243 399 HA3 GLY 53 HA1 GLY 53 -9.590 3.129 -9.237 400 H LEU 54 HN LEU 54 -8.806 0.470 -7.361 401 HA LEU 54 HA LEU 54 -6.082 1.298 -7.149 402 HB2 LEU 54 HB2 LEU 54 -7.850 -0.219 -5.632 403 HB3 LEU 54 HB1 LEU 54 -6.614 -1.351 -6.106 404 HG LEU 54 HG LEU 54 -6.434 1.019 -4.312 405 HD11 LEU 54 HD11 LEU 54 -6.656 -1.333 -3.509 406 HD12 LEU 54 HD12 LEU 54 -5.216 -0.487 -2.922 407 HD13 LEU 54 HD13 LEU 54 -5.077 -1.664 -4.229 408 HD21 LEU 54 HD21 LEU 54 -4.744 1.701 -5.748 409 HD22 LEU 54 HD22 LEU 54 -4.259 0.049 -6.124 410 HD23 LEU 54 HD23 LEU 54 -3.888 0.740 -4.544 411 H ARG 55 HN ARG 55 -4.366 0.580 -8.140 412 HA ARG 55 HA ARG 55 -4.596 -1.808 -9.847 413 HB2 ARG 55 HB2 ARG 55 -2.818 0.547 -10.444 414 HB3 ARG 55 HB1 ARG 55 -3.318 -0.744 -11.528 415 HG2 ARG 55 HG2 ARG 55 -5.248 1.227 -10.349 416 HG3 ARG 55 HG1 ARG 55 -4.414 1.491 -11.875 417 HD2 ARG 55 HD2 ARG 55 -5.402 -0.508 -12.803 418 HD3 ARG 55 HD1 ARG 55 -6.139 -0.897 -11.253 419 HE ARG 55 HE ARG 55 -6.865 1.551 -12.723 420 HH11 ARG 55 HH11 ARG 55 -7.767 -1.429 -11.108 421 HH12 ARG 55 HH12 ARG 55 -9.472 -1.142 -11.269 422 HH21 ARG 55 HH21 ARG 55 -9.106 1.929 -12.912 423 HH22 ARG 55 HH22 ARG 55 -10.233 0.763 -12.297 424 H GLN 56 HN GLN 56 -2.981 -3.285 -9.705 425 HA GLN 56 HA GLN 56 -1.241 -3.111 -7.464 426 HB2 GLN 56 HB2 GLN 56 -0.293 -5.229 -8.994 427 HB3 GLN 56 HB1 GLN 56 -1.408 -5.311 -7.650 428 HG2 GLN 56 HG2 GLN 56 -3.270 -5.407 -9.014 429 HG3 GLN 56 HG1 GLN 56 -2.370 -4.825 -10.390 430 HE21 GLN 56 HE21 GLN 56 -0.124 -6.533 -10.128 431 HE22 GLN 56 HE22 GLN 56 -0.640 -8.137 -10.511 432 H GLY 57 HN GLY 57 0.909 -2.781 -7.336 433 HA2 GLY 57 HA2 GLY 57 3.090 -2.543 -8.203 434 HA3 GLY 57 HA1 GLY 57 2.419 -2.310 -9.799 435 H ASP 58 HN ASP 58 0.677 -0.428 -7.642 436 HA ASP 58 HA ASP 58 2.093 1.966 -8.513 437 HB2 ASP 58 HB2 ASP 58 -0.411 1.651 -6.846 438 HB3 ASP 58 HB1 ASP 58 0.268 3.193 -7.335 439 H LEU 59 HN LEU 59 1.458 3.577 -6.261 440 HA LEU 59 HA LEU 59 2.995 2.361 -4.133 441 HB2 LEU 59 HB2 LEU 59 3.683 4.768 -5.704 442 HB3 LEU 59 HB1 LEU 59 3.836 4.935 -3.967 443 HG LEU 59 HG LEU 59 5.225 2.873 -5.663 444 HD11 LEU 59 HD11 LEU 59 6.097 5.124 -6.009 445 HD12 LEU 59 HD12 LEU 59 7.253 4.131 -5.120 446 HD13 LEU 59 HD13 LEU 59 6.281 5.328 -4.267 447 HD21 LEU 59 HD21 LEU 59 4.846 1.930 -3.506 448 HD22 LEU 59 HD22 LEU 59 5.304 3.432 -2.704 449 HD23 LEU 59 HD23 LEU 59 6.522 2.474 -3.548 450 H ILE 60 HN ILE 60 1.666 2.371 -2.452 451 HA ILE 60 HA ILE 60 -0.432 4.322 -2.271 452 HB ILE 60 HB ILE 60 0.432 2.168 -0.322 453 HG12 ILE 60 HG12 ILE 60 -2.085 2.239 -1.989 454 HG13 ILE 60 HG11 ILE 60 -0.588 1.529 -2.586 455 HG21 ILE 60 HG21 ILE 60 -1.794 2.591 0.746 456 HG22 ILE 60 HG22 ILE 60 -1.904 4.064 -0.222 457 HG23 ILE 60 HG23 ILE 60 -0.608 3.879 0.958 458 HD11 ILE 60 HD11 ILE 60 -2.222 0.653 -0.225 459 HD12 ILE 60 HD12 ILE 60 -0.609 0.037 -0.583 460 HD13 ILE 60 HD13 ILE 60 -1.927 -0.224 -1.727 461 H THR 61 HN THR 61 0.090 6.331 -1.687 462 HA THR 61 HA THR 61 2.364 6.786 0.053 463 HB THR 61 HB THR 61 2.333 8.209 -1.838 464 HG1 THR 61 HG1 THR 61 1.291 9.926 0.161 465 HG21 THR 61 HG21 THR 61 -0.452 9.079 -1.065 466 HG22 THR 61 HG22 THR 61 -0.051 8.003 -2.404 467 HG23 THR 61 HG23 THR 61 0.490 9.682 -2.429 468 H HIS 62 HN HIS 62 -1.151 7.077 0.164 469 HA HIS 62 HA HIS 62 -0.925 7.493 3.049 470 HB2 HIS 62 HB2 HIS 62 -2.697 9.234 1.323 471 HB3 HIS 62 HB1 HIS 62 -2.673 9.222 3.073 472 HD2 HIS 62 HD2 HIS 62 -0.571 10.565 4.273 473 HE1 HIS 62 HE1 HIS 62 0.871 12.249 0.671 474 HE2 HIS 62 HE2 HIS 62 0.894 12.413 3.196 475 H VAL 63 HN VAL 63 -2.733 6.863 4.231 476 HA VAL 63 HA VAL 63 -4.823 5.399 2.754 477 HB VAL 63 HB VAL 63 -3.377 4.492 5.252 478 HG11 VAL 63 HG11 VAL 63 -5.708 3.133 3.912 479 HG12 VAL 63 HG12 VAL 63 -5.851 4.151 5.344 480 HG13 VAL 63 HG13 VAL 63 -4.906 2.665 5.412 481 HG21 VAL 63 HG21 VAL 63 -2.207 3.977 3.164 482 HG22 VAL 63 HG22 VAL 63 -3.656 3.183 2.547 483 HG23 VAL 63 HG23 VAL 63 -2.809 2.512 3.941 484 H ASN 64 HN ASN 64 -6.707 6.343 3.173 485 HA ASN 64 HA ASN 64 -8.410 7.427 4.217 486 HB2 ASN 64 HB2 ASN 64 -7.019 6.443 6.722 487 HB3 ASN 64 HB1 ASN 64 -8.595 7.227 6.712 488 HD21 ASN 64 HD21 ASN 64 -7.642 4.511 7.460 489 HD22 ASN 64 HD22 ASN 64 -8.660 3.430 6.582 490 H GLY 65 HN GLY 65 -5.750 8.663 3.655 491 HA2 GLY 65 HA2 GLY 65 -5.119 10.895 3.629 492 HA3 GLY 65 HA1 GLY 65 -6.319 11.225 4.869 493 H GLU 66 HN GLU 66 -4.154 8.609 5.431 494 HA GLU 66 HA GLU 66 -2.706 10.258 7.397 495 HB2 GLU 66 HB2 GLU 66 -2.988 7.270 7.475 496 HB3 GLU 66 HB1 GLU 66 -2.531 8.347 8.786 497 HG2 GLU 66 HG2 GLU 66 -5.229 8.605 7.569 498 HG3 GLU 66 HG1 GLU 66 -4.909 7.262 8.659 499 HA PRO 67 HA PRO 67 0.936 9.349 4.960 500 HB2 PRO 67 HB2 PRO 67 2.475 10.058 7.356 501 HB3 PRO 67 HB1 PRO 67 2.440 10.845 5.777 502 HG2 PRO 67 HG2 PRO 67 1.348 11.976 7.967 503 HG3 PRO 67 HG1 PRO 67 0.674 12.206 6.349 504 HD2 PRO 67 HD2 PRO 67 -0.251 10.417 8.540 505 HD3 PRO 67 HD1 PRO 67 -1.205 11.396 7.412 506 H VAL 68 HN VAL 68 1.360 7.262 4.670 507 HA VAL 68 HA VAL 68 1.848 5.553 6.994 508 HB VAL 68 HB VAL 68 1.579 3.671 5.480 509 HG11 VAL 68 HG11 VAL 68 -0.792 3.958 4.979 510 HG12 VAL 68 HG12 VAL 68 -0.631 5.699 5.204 511 HG13 VAL 68 HG13 VAL 68 -0.390 4.610 6.568 512 HG21 VAL 68 HG21 VAL 68 0.896 3.992 3.154 513 HG22 VAL 68 HG22 VAL 68 2.501 4.665 3.445 514 HG23 VAL 68 HG23 VAL 68 1.103 5.734 3.330 515 H HIS 69 HN HIS 69 3.645 7.325 4.842 516 HA HIS 69 HA HIS 69 5.750 5.447 4.347 517 HB2 HIS 69 HB2 HIS 69 5.248 7.490 2.930 518 HB3 HIS 69 HB1 HIS 69 5.940 8.461 4.220 519 HD2 HIS 69 HD2 HIS 69 8.732 7.420 4.811 520 HE1 HIS 69 HE1 HIS 69 9.275 6.816 0.659 521 HE2 HIS 69 HE2 HIS 69 10.440 7.191 2.880 522 H GLY 70 HN GLY 70 6.588 4.600 6.157 523 HA2 GLY 70 HA2 GLY 70 8.621 5.323 7.551 524 HA3 GLY 70 HA1 GLY 70 7.469 6.434 8.278 525 H LEU 71 HN LEU 71 5.267 4.446 8.060 526 HA LEU 71 HA LEU 71 5.751 3.147 10.578 527 HB2 LEU 71 HB2 LEU 71 3.444 2.420 8.838 528 HB3 LEU 71 HB1 LEU 71 3.522 2.548 10.584 529 HG LEU 71 HG LEU 71 3.559 4.889 8.731 530 HD11 LEU 71 HD11 LEU 71 1.478 4.216 8.286 531 HD12 LEU 71 HD12 LEU 71 1.133 4.974 9.843 532 HD13 LEU 71 HD13 LEU 71 1.378 3.226 9.740 533 HD21 LEU 71 HD21 LEU 71 2.926 6.147 10.747 534 HD22 LEU 71 HD22 LEU 71 4.487 5.352 10.942 535 HD23 LEU 71 HD23 LEU 71 3.048 4.664 11.693 536 H VAL 72 HN VAL 72 4.885 0.833 10.734 537 HA VAL 72 HA VAL 72 6.542 -0.854 9.081 538 HB VAL 72 HB VAL 72 5.574 -2.703 10.467 539 HG11 VAL 72 HG11 VAL 72 6.805 -2.192 12.435 540 HG12 VAL 72 HG12 VAL 72 6.631 -0.459 12.170 541 HG13 VAL 72 HG13 VAL 72 7.638 -1.420 11.088 542 HG21 VAL 72 HG21 VAL 72 3.706 -0.603 11.149 543 HG22 VAL 72 HG22 VAL 72 4.453 -1.291 12.601 544 HG23 VAL 72 HG23 VAL 72 3.617 -2.344 11.460 545 H HIS 73 HN HIS 73 5.456 -2.941 8.262 546 HA HIS 73 HA HIS 73 3.585 -2.282 6.288 547 HB2 HIS 73 HB2 HIS 73 5.120 -4.203 6.153 548 HB3 HIS 73 HB1 HIS 73 4.229 -5.000 7.441 549 HD1 HIS 73 HD1 HIS 73 3.205 -3.486 4.058 550 HD2 HIS 73 HD2 HIS 73 2.623 -6.845 6.439 551 HE1 HIS 73 HE1 HIS 73 1.678 -5.029 2.760 552 H THR 74 HN THR 74 3.168 -3.727 9.475 553 HA THR 74 HA THR 74 0.400 -4.283 9.135 554 HB THR 74 HB THR 74 0.491 -4.476 11.697 555 HG1 THR 74 HG1 THR 74 2.318 -3.923 12.604 556 HG21 THR 74 HG21 THR 74 2.298 -6.172 9.970 557 HG22 THR 74 HG22 THR 74 0.558 -6.383 10.162 558 HG23 THR 74 HG23 THR 74 1.634 -6.644 11.533 559 H GLU 75 HN GLU 75 2.126 -1.427 10.371 560 HA GLU 75 HA GLU 75 -0.019 -0.251 11.704 561 HB2 GLU 75 HB2 GLU 75 2.391 0.956 10.335 562 HB3 GLU 75 HB1 GLU 75 1.129 1.925 11.005 563 HG2 GLU 75 HG2 GLU 75 2.343 -0.154 12.709 564 HG3 GLU 75 HG1 GLU 75 3.163 1.392 12.467 565 H VAL 76 HN VAL 76 0.994 -0.067 8.352 566 HA VAL 76 HA VAL 76 -1.128 1.677 7.579 567 HB VAL 76 HB VAL 76 -0.332 1.537 5.395 568 HG11 VAL 76 HG11 VAL 76 1.305 2.459 6.991 569 HG12 VAL 76 HG12 VAL 76 2.071 1.748 5.570 570 HG13 VAL 76 HG13 VAL 76 2.064 0.873 7.100 571 HG21 VAL 76 HG21 VAL 76 0.981 -0.264 4.465 572 HG22 VAL 76 HG22 VAL 76 -0.504 -0.918 5.158 573 HG23 VAL 76 HG23 VAL 76 1.023 -1.085 6.025 574 H VAL 77 HN VAL 77 -0.682 -1.804 7.680 575 HA VAL 77 HA VAL 77 -2.941 -2.583 6.196 576 HB VAL 77 HB VAL 77 -1.312 -3.908 8.344 577 HG11 VAL 77 HG11 VAL 77 -3.637 -5.235 6.966 578 HG12 VAL 77 HG12 VAL 77 -3.672 -4.638 8.626 579 HG13 VAL 77 HG13 VAL 77 -2.563 -5.934 8.178 580 HG21 VAL 77 HG21 VAL 77 -0.704 -5.424 6.531 581 HG22 VAL 77 HG22 VAL 77 -0.376 -3.745 6.097 582 HG23 VAL 77 HG23 VAL 77 -1.793 -4.565 5.441 583 H GLU 78 HN GLU 78 -2.471 -2.094 9.668 584 HA GLU 78 HA GLU 78 -5.077 -2.557 10.530 585 HB2 GLU 78 HB2 GLU 78 -3.130 -0.579 11.601 586 HB3 GLU 78 HB1 GLU 78 -4.507 -1.207 12.469 587 HG2 GLU 78 HG2 GLU 78 -3.539 -3.425 12.304 588 HG3 GLU 78 HG1 GLU 78 -2.120 -2.754 11.538 589 H LEU 79 HN LEU 79 -3.456 0.396 9.728 590 HA LEU 79 HA LEU 79 -5.378 2.305 9.964 591 HB2 LEU 79 HB2 LEU 79 -2.942 2.095 8.624 592 HB3 LEU 79 HB1 LEU 79 -4.078 2.586 7.386 593 HG LEU 79 HG LEU 79 -4.767 4.459 8.967 594 HD11 LEU 79 HD11 LEU 79 -2.140 3.735 10.258 595 HD12 LEU 79 HD12 LEU 79 -3.727 3.483 10.985 596 HD13 LEU 79 HD13 LEU 79 -3.161 5.119 10.647 597 HD21 LEU 79 HD21 LEU 79 -2.318 4.153 7.372 598 HD22 LEU 79 HD22 LEU 79 -2.368 5.551 8.448 599 HD23 LEU 79 HD23 LEU 79 -3.630 5.328 7.234 600 H ILE 80 HN ILE 80 -4.854 0.426 6.951 601 HA ILE 80 HA ILE 80 -7.098 1.184 5.551 602 HB ILE 80 HB ILE 80 -5.729 -1.499 5.679 603 HG12 ILE 80 HG12 ILE 80 -5.345 0.533 3.542 604 HG13 ILE 80 HG11 ILE 80 -4.545 0.761 5.079 605 HG21 ILE 80 HG21 ILE 80 -7.875 -1.787 4.682 606 HG22 ILE 80 HG22 ILE 80 -6.655 -1.837 3.406 607 HG23 ILE 80 HG23 ILE 80 -7.634 -0.386 3.636 608 HD11 ILE 80 HD11 ILE 80 -4.308 -1.786 3.540 609 HD12 ILE 80 HD12 ILE 80 -3.323 -1.186 4.878 610 HD13 ILE 80 HD13 ILE 80 -3.224 -0.413 3.296 611 H LEU 81 HN LEU 81 -6.732 -1.677 7.623 612 HA LEU 81 HA LEU 81 -9.306 -2.657 7.534 613 HB2 LEU 81 HB2 LEU 81 -7.295 -2.660 9.774 614 HB3 LEU 81 HB1 LEU 81 -8.790 -3.565 9.848 615 HG LEU 81 HG LEU 81 -6.686 -3.959 7.723 616 HD11 LEU 81 HD11 LEU 81 -7.211 -5.540 10.233 617 HD12 LEU 81 HD12 LEU 81 -5.788 -4.554 9.898 618 HD13 LEU 81 HD13 LEU 81 -6.104 -6.002 8.942 619 HD21 LEU 81 HD21 LEU 81 -9.115 -5.576 8.490 620 HD22 LEU 81 HD22 LEU 81 -7.904 -6.056 7.301 621 HD23 LEU 81 HD23 LEU 81 -8.909 -4.637 7.012 622 H LYS 82 HN LYS 82 -8.048 -0.149 9.725 623 HA LYS 82 HA LYS 82 -10.437 0.099 11.207 624 HB2 LYS 82 HB2 LYS 82 -8.120 1.992 10.991 625 HB3 LYS 82 HB1 LYS 82 -9.367 2.020 12.239 626 HG2 LYS 82 HG2 LYS 82 -8.714 -0.317 12.794 627 HG3 LYS 82 HG1 LYS 82 -7.360 -0.126 11.709 628 HD2 LYS 82 HD2 LYS 82 -7.797 1.882 13.873 629 HD3 LYS 82 HD1 LYS 82 -7.066 0.327 14.269 630 HE2 LYS 82 HE2 LYS 82 -5.449 0.819 12.334 631 HE3 LYS 82 HE1 LYS 82 -6.031 2.477 12.445 632 HZ1 LYS 82 HZ1 LYS 82 -5.297 2.584 14.712 633 HZ2 LYS 82 HZ2 LYS 82 -4.004 2.075 13.747 634 HZ3 LYS 82 HZ3 LYS 82 -4.843 0.956 14.694 635 H SER 83 HN SER 83 -9.821 1.201 8.092 636 HA SER 83 HA SER 83 -10.803 3.731 7.884 637 HB2 SER 83 HB2 SER 83 -11.686 3.043 5.637 638 HB3 SER 83 HB1 SER 83 -10.018 2.567 5.938 639 HG SER 83 HG SER 83 -10.586 0.508 6.008 640 H GLY 84 HN GLY 84 -12.927 0.904 7.372 641 HA2 GLY 84 HA2 GLY 84 -14.991 0.616 8.583 642 HA3 GLY 84 HA1 GLY 84 -15.051 2.358 8.805 643 H ASN 85 HN ASN 85 -15.872 -0.288 6.809 644 HA ASN 85 HA ASN 85 -17.354 -0.538 5.133 645 HB2 ASN 85 HB2 ASN 85 -19.072 0.803 5.685 646 HB3 ASN 85 HB1 ASN 85 -18.016 2.132 6.137 647 HD21 ASN 85 HD21 ASN 85 -19.790 0.633 3.546 648 HD22 ASN 85 HD22 ASN 85 -19.766 1.992 2.478 649 H LYS 86 HN LYS 86 -15.249 2.289 4.721 650 HA LYS 86 HA LYS 86 -14.335 1.192 2.247 651 HB2 LYS 86 HB2 LYS 86 -14.650 3.209 0.962 652 HB3 LYS 86 HB1 LYS 86 -16.175 2.561 1.491 653 HG2 LYS 86 HG2 LYS 86 -15.930 4.219 3.453 654 HG3 LYS 86 HG1 LYS 86 -14.762 4.990 2.385 655 HD2 LYS 86 HD2 LYS 86 -16.601 4.892 0.613 656 HD3 LYS 86 HD1 LYS 86 -17.682 4.542 1.961 657 HE2 LYS 86 HE2 LYS 86 -17.113 6.628 3.021 658 HE3 LYS 86 HE1 LYS 86 -15.900 6.966 1.788 659 HZ1 LYS 86 HZ1 LYS 86 -18.323 7.962 1.680 660 HZ2 LYS 86 HZ2 LYS 86 -18.635 6.503 0.882 661 HZ3 LYS 86 HZ3 LYS 86 -17.458 7.560 0.280 662 H VAL 87 HN VAL 87 -12.486 2.188 1.506 663 HA VAL 87 HA VAL 87 -11.087 3.826 3.508 664 HB VAL 87 HB VAL 87 -10.398 1.567 3.909 665 HG11 VAL 87 HG11 VAL 87 -9.615 1.396 1.004 666 HG12 VAL 87 HG12 VAL 87 -11.051 0.656 1.721 667 HG13 VAL 87 HG13 VAL 87 -9.440 0.130 2.221 668 HG21 VAL 87 HG21 VAL 87 -7.951 1.718 3.377 669 HG22 VAL 87 HG22 VAL 87 -8.622 3.152 4.153 670 HG23 VAL 87 HG23 VAL 87 -8.310 3.153 2.418 671 H ALA 88 HN ALA 88 -9.941 5.463 2.712 672 HA ALA 88 HA ALA 88 -9.847 5.777 -0.193 673 HB1 ALA 88 HB1 ALA 88 -10.756 7.641 1.090 674 HB2 ALA 88 HB2 ALA 88 -9.277 8.103 0.244 675 HB3 ALA 88 HB3 ALA 88 -9.241 7.775 1.982 676 H ILE 89 HN ILE 89 -8.138 4.987 -1.121 677 HA ILE 89 HA ILE 89 -5.577 5.047 0.321 678 HB ILE 89 HB ILE 89 -6.265 3.323 -2.054 679 HG12 ILE 89 HG12 ILE 89 -6.801 2.965 0.844 680 HG13 ILE 89 HG11 ILE 89 -7.651 2.339 -0.552 681 HG21 ILE 89 HG21 ILE 89 -3.941 3.568 -1.876 682 HG22 ILE 89 HG22 ILE 89 -4.326 2.010 -1.143 683 HG23 ILE 89 HG23 ILE 89 -3.983 3.405 -0.122 684 HD11 ILE 89 HD11 ILE 89 -6.709 0.530 0.707 685 HD12 ILE 89 HD12 ILE 89 -5.105 1.255 0.604 686 HD13 ILE 89 HD13 ILE 89 -5.894 0.652 -0.853 687 H SER 90 HN SER 90 -4.349 6.695 -0.262 688 HA SER 90 HA SER 90 -4.612 7.993 -2.812 689 HB2 SER 90 HB2 SER 90 -2.394 8.435 -0.818 690 HB3 SER 90 HB1 SER 90 -3.097 9.588 -1.951 691 HG SER 90 HG SER 90 -4.648 9.997 -0.583 692 H THR 91 HN THR 91 -3.731 7.199 -4.605 693 HA THR 91 HA THR 91 -1.363 5.488 -4.367 694 HB THR 91 HB THR 91 -2.123 5.029 -6.885 695 HG1 THR 91 HG1 THR 91 -4.677 4.992 -6.162 696 HG21 THR 91 HG21 THR 91 -1.923 3.295 -5.214 697 HG22 THR 91 HG22 THR 91 -3.477 3.120 -6.040 698 HG23 THR 91 HG23 THR 91 -3.405 3.834 -4.425 699 H THR 92 HN THR 92 0.051 5.527 -6.320 700 HA THR 92 HA THR 92 0.294 7.779 -7.985 701 HB THR 92 HB THR 92 0.910 8.957 -5.935 702 HG1 THR 92 HG1 THR 92 2.333 9.931 -7.122 703 HG21 THR 92 HG21 THR 92 1.618 7.013 -4.610 704 HG22 THR 92 HG22 THR 92 2.816 8.311 -4.574 705 HG23 THR 92 HG23 THR 92 3.084 6.893 -5.589 706 HA PRO 93 HA PRO 93 2.718 4.832 -10.262 707 HB2 PRO 93 HB2 PRO 93 4.706 7.019 -10.598 708 HB3 PRO 93 HB1 PRO 93 4.001 5.957 -11.815 709 HG2 PRO 93 HG2 PRO 93 3.157 8.467 -11.570 710 HG3 PRO 93 HG1 PRO 93 2.008 7.156 -11.890 711 HD2 PRO 93 HD2 PRO 93 2.511 8.655 -9.368 712 HD3 PRO 93 HD1 PRO 93 1.004 7.952 -9.985 713 H LEU 94 HN LEU 94 4.444 3.494 -10.085 714 HA LEU 94 HA LEU 94 6.219 3.932 -7.778 715 HB2 LEU 94 HB2 LEU 94 4.992 1.935 -7.400 716 HB3 LEU 94 HB1 LEU 94 5.178 1.414 -9.066 717 HG LEU 94 HG LEU 94 7.691 1.231 -8.537 718 HD11 LEU 94 HD11 LEU 94 6.627 1.185 -5.722 719 HD12 LEU 94 HD12 LEU 94 7.625 2.460 -6.421 720 HD13 LEU 94 HD13 LEU 94 8.278 0.833 -6.231 721 HD21 LEU 94 HD21 LEU 94 7.421 -1.020 -7.645 722 HD22 LEU 94 HD22 LEU 94 6.245 -0.688 -8.918 723 HD23 LEU 94 HD23 LEU 94 5.746 -0.657 -7.227 724 H GLU 95 HN GLU 95 7.422 5.330 -9.236 725 HA GLU 95 HA GLU 95 8.885 3.967 -11.357 726 HB2 GLU 95 HB2 GLU 95 9.193 6.834 -10.536 727 HB3 GLU 95 HB1 GLU 95 9.584 6.109 -12.081 728 HG2 GLU 95 HG2 GLU 95 6.743 6.022 -11.209 729 HG3 GLU 95 HG1 GLU 95 7.406 7.572 -11.731 730 H ASN 96 HN ASN 96 10.791 3.131 -11.000 731 HA ASN 96 HA ASN 96 12.792 4.318 -9.382 732 HB2 ASN 96 HB2 ASN 96 11.100 3.083 -7.760 733 HB3 ASN 96 HB1 ASN 96 11.992 1.653 -8.280 734 HD21 ASN 96 HD21 ASN 96 14.049 1.332 -7.562 735 HD22 ASN 96 HD22 ASN 96 14.818 2.344 -6.388 736 H2 PRO 97 HT1 PRO 97 13.517 -1.351 -11.933 737 H3 PRO 97 HT2 PRO 97 12.778 0.106 -11.885 738 HA PRO 97 HA PRO 97 10.812 -0.691 -11.668 739 HB2 PRO 97 HB2 PRO 97 10.793 -3.264 -12.886 740 HB3 PRO 97 HB1 PRO 97 9.977 -1.796 -13.439 741 HG2 PRO 97 HG2 PRO 97 12.592 -2.920 -14.256 742 HG3 PRO 97 HG1 PRO 97 11.457 -1.919 -15.180 743 HD2 PRO 97 HD2 PRO 97 13.743 -0.893 -14.262 744 HD3 PRO 97 HD1 PRO 97 12.250 0.063 -14.242 745 H PHE 98 HN PHE 98 10.356 -1.467 -9.717 746 HA PHE 98 HA PHE 98 10.411 -2.680 -7.798 747 HB2 PHE 98 HB2 PHE 98 10.117 -4.529 -9.665 748 HB3 PHE 98 HB1 PHE 98 11.749 -4.973 -9.187 749 HD1 PHE 98 HD2 PHE 98 9.013 -3.728 -7.032 750 HD2 PHE 98 HD1 PHE 98 11.426 -7.053 -8.147 751 HE1 PHE 98 HE2 PHE 98 8.103 -5.017 -5.150 752 HE2 PHE 98 HE1 PHE 98 10.520 -8.342 -6.262 753 HZ PHE 98 HZ PHE 98 8.849 -7.400 -4.815 754 H ASP 99 HN ASP 99 12.293 -4.487 -6.751 755 HA ASP 99 HA ASP 99 14.947 -3.504 -7.159 756 HB2 ASP 99 HB2 ASP 99 13.743 -1.712 -5.736 757 HB3 ASP 99 HB1 ASP 99 13.830 -2.893 -4.434 758 H GLU 100 HN GLU 100 13.437 -4.583 -4.125 759 HA GLU 100 HA GLU 100 14.788 -7.165 -4.466 760 HB2 GLU 100 HB2 GLU 100 15.034 -5.230 -2.202 761 HB3 GLU 100 HB1 GLU 100 15.112 -6.952 -1.860 762 HG2 GLU 100 HG2 GLU 100 16.863 -5.584 -3.878 763 HG3 GLU 100 HG1 GLU 100 17.309 -5.814 -2.191 764 H ASP 101 HN ASP 101 13.847 -8.923 -3.430 765 HA ASP 101 HA ASP 101 11.252 -8.484 -2.129 766 HB2 ASP 101 HB2 ASP 101 11.027 -9.022 -4.626 767 HB3 ASP 101 HB1 ASP 101 11.618 -10.626 -4.222 768 H GLN 102 HN GLN 102 13.998 -9.253 -1.286 769 HA GLN 102 HA GLN 102 13.747 -12.034 -0.532 770 HB2 GLN 102 HB2 GLN 102 15.865 -11.149 0.936 771 HB3 GLN 102 HB1 GLN 102 15.976 -11.794 -0.691 772 HG2 GLN 102 HG2 GLN 102 17.223 -9.867 -0.816 773 HG3 GLN 102 HG1 GLN 102 15.662 -9.345 -1.441 774 HE21 GLN 102 HE21 GLN 102 17.840 -9.246 1.278 775 HE22 GLN 102 HE22 GLN 102 17.127 -7.875 2.056 776 H HIS 103 HN HIS 103 13.865 -8.915 1.169 777 HA HIS 103 HA HIS 103 12.511 -10.223 3.430 778 HB2 HIS 103 HB2 HIS 103 14.724 -9.260 4.012 779 HB3 HIS 103 HB1 HIS 103 14.163 -7.679 3.477 780 HD2 HIS 103 HD2 HIS 103 12.283 -10.173 5.883 781 HE1 HIS 103 HE1 HIS 103 12.846 -6.455 7.810 782 HE2 HIS 103 HE2 HIS 103 12.027 -8.831 8.086 783 H THR 104 HN THR 104 10.560 -9.995 2.236 784 HA THR 104 HA THR 104 9.445 -7.282 2.397 785 HB THR 104 HB THR 104 7.970 -8.118 0.415 786 HG1 THR 104 HG1 THR 104 9.402 -9.523 -0.953 787 HG21 THR 104 HG21 THR 104 10.880 -7.495 -0.088 788 HG22 THR 104 HG22 THR 104 9.651 -6.293 0.301 789 HG23 THR 104 HG23 THR 104 9.535 -7.223 -1.194 790 H GLN 105 HN GLN 105 6.921 -7.469 2.312 791 HA GLN 105 HA GLN 105 6.067 -9.851 3.807 792 HB2 GLN 105 HB2 GLN 105 6.458 -7.436 5.029 793 HB3 GLN 105 HB1 GLN 105 4.754 -7.343 4.599 794 HG2 GLN 105 HG2 GLN 105 4.249 -9.300 5.842 795 HG3 GLN 105 HG1 GLN 105 5.957 -9.661 6.084 796 HE21 GLN 105 HE21 GLN 105 3.830 -9.299 8.031 797 HE22 GLN 105 HE22 GLN 105 4.352 -8.025 9.077 798 H ILE 106 HN ILE 106 3.649 -10.076 3.840 799 HA ILE 106 HA ILE 106 2.284 -8.713 1.657 800 HB ILE 106 HB ILE 106 3.099 -10.492 0.385 801 HG12 ILE 106 HG12 ILE 106 0.396 -11.393 1.410 802 HG13 ILE 106 HG11 ILE 106 0.678 -10.236 0.112 803 HG21 ILE 106 HG21 ILE 106 2.392 -12.404 2.596 804 HG22 ILE 106 HG22 ILE 106 4.008 -11.786 2.257 805 HG23 ILE 106 HG23 ILE 106 3.184 -12.800 1.072 806 HD11 ILE 106 HD11 ILE 106 1.684 -11.982 -1.242 807 HD12 ILE 106 HD12 ILE 106 0.059 -12.436 -0.735 808 HD13 ILE 106 HD13 ILE 106 1.462 -13.144 0.066 809 H THR 107 HN THR 107 0.257 -8.274 2.181 810 HA THR 107 HA THR 107 -1.110 -9.961 4.153 811 HB THR 107 HB THR 107 -1.020 -6.936 4.224 812 HG1 THR 107 HG1 THR 107 0.768 -7.545 5.260 813 HG21 THR 107 HG21 THR 107 -2.510 -8.905 5.972 814 HG22 THR 107 HG22 THR 107 -3.228 -7.731 4.870 815 HG23 THR 107 HG23 THR 107 -2.353 -7.180 6.299 816 H LYS 108 HN LYS 108 -3.040 -10.532 3.582 817 HA LYS 108 HA LYS 108 -4.210 -9.497 1.148 818 HB2 LYS 108 HB2 LYS 108 -5.362 -11.591 3.000 819 HB3 LYS 108 HB1 LYS 108 -5.680 -11.377 1.285 820 HG2 LYS 108 HG2 LYS 108 -3.628 -12.278 0.662 821 HG3 LYS 108 HG1 LYS 108 -2.933 -12.040 2.265 822 HD2 LYS 108 HD2 LYS 108 -4.664 -13.717 3.087 823 HD3 LYS 108 HD1 LYS 108 -4.939 -14.099 1.387 824 HE2 LYS 108 HE2 LYS 108 -2.668 -14.782 1.101 825 HE3 LYS 108 HE1 LYS 108 -2.235 -14.203 2.707 826 HZ1 LYS 108 HZ1 LYS 108 -3.972 -16.510 2.037 827 HZ2 LYS 108 HZ2 LYS 108 -3.821 -15.886 3.597 828 HZ3 LYS 108 HZ3 LYS 108 -2.473 -16.544 2.816 829 H VAL 109 HN VAL 109 -5.223 -7.568 1.399 830 HA VAL 109 HA VAL 109 -7.293 -7.354 3.406 831 HB VAL 109 HB VAL 109 -5.284 -6.424 4.447 832 HG11 VAL 109 HG11 VAL 109 -4.054 -5.846 2.424 833 HG12 VAL 109 HG12 VAL 109 -4.119 -4.495 3.558 834 HG13 VAL 109 HG13 VAL 109 -5.160 -4.503 2.134 835 HG21 VAL 109 HG21 VAL 109 -6.121 -4.281 5.111 836 HG22 VAL 109 HG22 VAL 109 -7.474 -5.395 4.916 837 HG23 VAL 109 HG23 VAL 109 -7.140 -4.187 3.676 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 3.794 20.161 -2.051 2 H2 GLY 1 HT2 GLY 1 3.295 21.502 -2.950 3 H3 GLY 1 HT3 GLY 1 3.289 19.965 -3.651 4 HA2 GLY 1 HA1 GLY 1 1.588 20.820 -1.379 5 HA3 GLY 1 HA2 GLY 1 1.052 20.682 -3.046 6 H GLY 2 HN GLY 2 0.847 19.193 -0.207 7 HA2 GLY 2 HA2 GLY 2 1.392 16.478 -1.002 8 HA3 GLY 2 HA1 GLY 2 0.644 16.999 0.500 9 H SER 3 HN SER 3 -1.528 18.415 -0.445 10 HA SER 3 HA SER 3 -3.283 16.271 -1.143 11 HB2 SER 3 HB2 SER 3 -3.929 19.222 -1.019 12 HB3 SER 3 HB1 SER 3 -5.055 17.872 -0.868 13 HG SER 3 HG SER 3 -3.309 17.392 0.953 14 H MET 4 HN MET 4 -3.587 15.539 -3.111 15 HA MET 4 HA MET 4 -4.181 17.253 -5.310 16 HB2 MET 4 HB2 MET 4 -1.738 17.480 -5.335 17 HB3 MET 4 HB1 MET 4 -1.568 15.731 -5.385 18 HG2 MET 4 HG2 MET 4 -1.216 16.730 -7.570 19 HG3 MET 4 HG1 MET 4 -2.617 15.664 -7.567 20 HE1 MET 4 HE1 MET 4 -2.137 17.768 -9.945 21 HE2 MET 4 HE2 MET 4 -3.812 18.287 -10.125 22 HE3 MET 4 HE3 MET 4 -3.446 16.595 -9.793 23 H ARG 5 HN ARG 5 -2.808 14.029 -4.689 24 HA ARG 5 HA ARG 5 -4.456 12.792 -6.675 25 HB2 ARG 5 HB2 ARG 5 -2.489 11.807 -4.653 26 HB3 ARG 5 HB1 ARG 5 -3.561 10.660 -5.437 27 HG2 ARG 5 HG2 ARG 5 -1.514 10.668 -6.640 28 HG3 ARG 5 HG1 ARG 5 -2.713 11.495 -7.635 29 HD2 ARG 5 HD2 ARG 5 -1.794 13.602 -7.190 30 HD3 ARG 5 HD1 ARG 5 -0.881 13.007 -5.806 31 HE ARG 5 HE ARG 5 -0.241 12.153 -8.547 32 HH11 ARG 5 HH11 ARG 5 0.712 13.557 -5.487 33 HH12 ARG 5 HH12 ARG 5 2.397 13.614 -5.892 34 HH21 ARG 5 HH21 ARG 5 1.971 12.210 -9.080 35 HH22 ARG 5 HH22 ARG 5 3.118 12.822 -7.929 36 HA PRO 6 HA PRO 6 -7.994 12.453 -3.975 37 HB2 PRO 6 HB2 PRO 6 -9.565 11.088 -5.710 38 HB3 PRO 6 HB1 PRO 6 -9.259 12.816 -5.861 39 HG2 PRO 6 HG2 PRO 6 -7.963 10.524 -7.269 40 HG3 PRO 6 HG1 PRO 6 -8.582 12.046 -7.917 41 HD2 PRO 6 HD2 PRO 6 -5.964 11.674 -7.437 42 HD3 PRO 6 HD1 PRO 6 -6.736 13.256 -7.220 43 HA PRO 7 HA PRO 7 -7.094 8.407 -2.336 44 HB2 PRO 7 HB2 PRO 7 -9.422 8.775 -0.611 45 HB3 PRO 7 HB1 PRO 7 -7.717 8.633 -0.176 46 HG2 PRO 7 HG2 PRO 7 -9.094 10.946 0.043 47 HG3 PRO 7 HG1 PRO 7 -7.360 10.895 -0.319 48 HD2 PRO 7 HD2 PRO 7 -9.667 11.355 -2.165 49 HD3 PRO 7 HD1 PRO 7 -8.065 12.121 -2.146 50 H ILE 8 HN ILE 8 -7.856 6.378 -2.484 51 HA ILE 8 HA ILE 8 -10.174 5.926 -4.162 52 HB ILE 8 HB ILE 8 -8.137 3.995 -3.057 53 HG12 ILE 8 HG12 ILE 8 -7.309 5.838 -4.634 54 HG13 ILE 8 HG11 ILE 8 -6.926 4.177 -5.059 55 HG21 ILE 8 HG21 ILE 8 -10.284 3.673 -5.128 56 HG22 ILE 8 HG22 ILE 8 -10.075 2.778 -3.622 57 HG23 ILE 8 HG23 ILE 8 -8.933 2.553 -4.947 58 HD11 ILE 8 HD11 ILE 8 -9.063 5.911 -6.268 59 HD12 ILE 8 HD12 ILE 8 -8.848 4.194 -6.626 60 HD13 ILE 8 HD13 ILE 8 -7.575 5.347 -7.032 61 H ILE 9 HN ILE 9 -11.916 6.329 -2.729 62 HA ILE 9 HA ILE 9 -12.077 5.212 -0.134 63 HB ILE 9 HB ILE 9 -14.141 6.415 -1.964 64 HG12 ILE 9 HG12 ILE 9 -14.131 8.251 -0.550 65 HG13 ILE 9 HG11 ILE 9 -13.350 7.388 0.752 66 HG21 ILE 9 HG21 ILE 9 -15.512 4.957 -0.819 67 HG22 ILE 9 HG22 ILE 9 -15.560 6.399 0.200 68 HG23 ILE 9 HG23 ILE 9 -14.534 5.034 0.647 69 HD11 ILE 9 HD11 ILE 9 -12.122 8.430 -1.775 70 HD12 ILE 9 HD12 ILE 9 -11.282 7.366 -0.650 71 HD13 ILE 9 HD13 ILE 9 -11.813 8.964 -0.123 72 H ILE 10 HN ILE 10 -11.784 3.062 -0.084 73 HA ILE 10 HA ILE 10 -13.417 1.290 -1.730 74 HB ILE 10 HB ILE 10 -11.272 0.599 0.275 75 HG12 ILE 10 HG12 ILE 10 -10.982 0.700 -2.712 76 HG13 ILE 10 HG11 ILE 10 -10.609 2.079 -1.694 77 HG21 ILE 10 HG21 ILE 10 -12.677 -1.288 -0.167 78 HG22 ILE 10 HG22 ILE 10 -11.174 -1.512 -1.066 79 HG23 ILE 10 HG23 ILE 10 -12.628 -0.975 -1.904 80 HD11 ILE 10 HD11 ILE 10 -8.903 0.786 -0.549 81 HD12 ILE 10 HD12 ILE 10 -8.617 0.812 -2.291 82 HD13 ILE 10 HD13 ILE 10 -9.302 -0.624 -1.531 83 H HIS 11 HN HIS 11 -15.082 0.198 -0.995 84 HA HIS 11 HA HIS 11 -16.001 0.650 1.718 85 HB2 HIS 11 HB2 HIS 11 -17.179 -0.698 -0.711 86 HB3 HIS 11 HB1 HIS 11 -17.986 -0.701 0.853 87 HD2 HIS 11 HD2 HIS 11 -16.645 2.644 0.845 88 HE1 HIS 11 HE1 HIS 11 -20.158 2.976 -1.473 89 HE2 HIS 11 HE2 HIS 11 -18.493 4.231 -0.040 90 H ARG 12 HN ARG 12 -16.516 -1.044 3.182 91 HA ARG 12 HA ARG 12 -14.626 -3.169 3.206 92 HB2 ARG 12 HB2 ARG 12 -15.716 -3.742 5.341 93 HB3 ARG 12 HB1 ARG 12 -15.319 -2.040 5.244 94 HG2 ARG 12 HG2 ARG 12 -17.584 -1.446 4.896 95 HG3 ARG 12 HG1 ARG 12 -18.050 -3.128 4.636 96 HD2 ARG 12 HD2 ARG 12 -17.485 -3.665 6.903 97 HD3 ARG 12 HD1 ARG 12 -16.930 -2.027 7.200 98 HE ARG 12 HE ARG 12 -19.644 -2.072 6.338 99 HH11 ARG 12 HH11 ARG 12 -17.588 -2.626 9.114 100 HH12 ARG 12 HH12 ARG 12 -18.831 -2.289 10.272 101 HH21 ARG 12 HH21 ARG 12 -21.290 -1.617 7.856 102 HH22 ARG 12 HH22 ARG 12 -20.945 -1.710 9.555 103 H ALA 13 HN ALA 13 -14.886 -5.294 2.747 104 HA ALA 13 HA ALA 13 -17.572 -6.206 1.949 105 HB1 ALA 13 HB1 ALA 13 -16.343 -5.920 -0.073 106 HB2 ALA 13 HB2 ALA 13 -16.411 -7.651 0.258 107 HB3 ALA 13 HB3 ALA 13 -14.934 -6.744 0.593 108 H GLY 14 HN GLY 14 -17.818 -7.070 4.055 109 HA2 GLY 14 HA2 GLY 14 -17.884 -8.901 5.452 110 HA3 GLY 14 HA1 GLY 14 -16.886 -9.765 4.292 111 H LYS 15 HN LYS 15 -14.629 -9.648 4.452 112 HA LYS 15 HA LYS 15 -13.586 -8.412 6.908 113 HB2 LYS 15 HB2 LYS 15 -13.580 -11.248 6.140 114 HB3 LYS 15 HB1 LYS 15 -12.024 -10.629 6.669 115 HG2 LYS 15 HG2 LYS 15 -13.210 -9.746 8.715 116 HG3 LYS 15 HG1 LYS 15 -14.598 -10.703 8.199 117 HD2 LYS 15 HD2 LYS 15 -13.463 -12.721 8.471 118 HD3 LYS 15 HD1 LYS 15 -11.885 -11.935 8.485 119 HE2 LYS 15 HE2 LYS 15 -12.327 -12.566 10.719 120 HE3 LYS 15 HE1 LYS 15 -12.593 -10.827 10.638 121 HZ1 LYS 15 HZ1 LYS 15 -14.997 -11.315 10.386 122 HZ2 LYS 15 HZ2 LYS 15 -14.357 -11.799 11.871 123 HZ3 LYS 15 HZ3 LYS 15 -14.664 -12.948 10.674 124 H LYS 16 HN LYS 16 -13.492 -8.259 3.720 125 HA LYS 16 HA LYS 16 -10.670 -7.469 3.685 126 HB2 LYS 16 HB2 LYS 16 -11.898 -8.996 1.391 127 HB3 LYS 16 HB1 LYS 16 -10.213 -8.557 1.613 128 HG2 LYS 16 HG2 LYS 16 -11.062 -10.146 3.826 129 HG3 LYS 16 HG1 LYS 16 -11.501 -10.955 2.320 130 HD2 LYS 16 HD2 LYS 16 -9.311 -11.690 2.874 131 HD3 LYS 16 HD1 LYS 16 -9.139 -10.544 1.544 132 HE2 LYS 16 HE2 LYS 16 -7.449 -10.178 3.272 133 HE3 LYS 16 HE1 LYS 16 -8.523 -8.791 3.108 134 HZ1 LYS 16 HZ1 LYS 16 -9.660 -9.374 5.083 135 HZ2 LYS 16 HZ2 LYS 16 -8.009 -9.477 5.439 136 HZ3 LYS 16 HZ3 LYS 16 -8.900 -10.887 5.168 137 H TYR 17 HN TYR 17 -10.174 -6.147 1.702 138 HA TYR 17 HA TYR 17 -12.502 -4.464 1.059 139 HB2 TYR 17 HB2 TYR 17 -9.543 -3.849 0.950 140 HB3 TYR 17 HB1 TYR 17 -10.812 -2.743 0.433 141 HD1 TYR 17 HD1 TYR 17 -12.388 -1.798 2.104 142 HD2 TYR 17 HD2 TYR 17 -9.050 -4.168 3.237 143 HE1 TYR 17 HE1 TYR 17 -12.607 -0.985 4.412 144 HE2 TYR 17 HE2 TYR 17 -9.249 -3.375 5.542 145 HH TYR 17 HH TYR 17 -10.393 -0.990 6.581 146 H GLY 18 HN GLY 18 -10.613 -6.872 -0.174 147 HA2 GLY 18 HA2 GLY 18 -11.117 -7.841 -2.276 148 HA3 GLY 18 HA1 GLY 18 -11.581 -6.258 -2.847 149 H PHE 19 HN PHE 19 -8.618 -6.253 -1.174 150 HA PHE 19 HA PHE 19 -7.168 -6.784 -3.638 151 HB2 PHE 19 HB2 PHE 19 -5.972 -4.746 -3.726 152 HB3 PHE 19 HB1 PHE 19 -7.669 -4.354 -3.636 153 HD1 PHE 19 HD1 PHE 19 -8.607 -3.394 -1.531 154 HD2 PHE 19 HD2 PHE 19 -4.438 -4.076 -2.065 155 HE1 PHE 19 HE1 PHE 19 -8.115 -1.854 0.329 156 HE2 PHE 19 HE2 PHE 19 -3.942 -2.553 -0.202 157 HZ PHE 19 HZ PHE 19 -5.783 -1.435 0.994 158 H THR 20 HN THR 20 -4.877 -6.584 -3.426 159 HA THR 20 HA THR 20 -3.963 -7.825 -0.909 160 HB THR 20 HB THR 20 -2.743 -7.984 -3.662 161 HG1 THR 20 HG1 THR 20 -3.599 -10.091 -3.684 162 HG21 THR 20 HG21 THR 20 -1.410 -9.852 -2.672 163 HG22 THR 20 HG22 THR 20 -2.046 -9.408 -1.088 164 HG23 THR 20 HG23 THR 20 -1.023 -8.275 -1.979 165 H LEU 21 HN LEU 21 -2.681 -6.602 0.313 166 HA LEU 21 HA LEU 21 -1.309 -4.342 -0.927 167 HB2 LEU 21 HB2 LEU 21 -2.702 -3.879 1.054 168 HB3 LEU 21 HB1 LEU 21 -1.746 -5.010 1.988 169 HG LEU 21 HG LEU 21 0.220 -3.567 1.752 170 HD11 LEU 21 HD11 LEU 21 -0.190 -2.577 -0.390 171 HD12 LEU 21 HD12 LEU 21 -0.078 -1.293 0.814 172 HD13 LEU 21 HD13 LEU 21 -1.655 -1.794 0.204 173 HD21 LEU 21 HD21 LEU 21 -2.258 -2.185 2.759 174 HD22 LEU 21 HD22 LEU 21 -0.608 -1.671 3.102 175 HD23 LEU 21 HD23 LEU 21 -1.180 -3.237 3.677 176 H ARG 22 HN ARG 22 0.810 -4.497 -1.341 177 HA ARG 22 HA ARG 22 2.276 -6.637 0.040 178 HB2 ARG 22 HB2 ARG 22 2.284 -5.850 -2.848 179 HB3 ARG 22 HB1 ARG 22 3.681 -6.633 -2.136 180 HG2 ARG 22 HG2 ARG 22 1.679 -8.276 -1.308 181 HG3 ARG 22 HG1 ARG 22 1.063 -7.715 -2.856 182 HD2 ARG 22 HD2 ARG 22 2.620 -9.811 -2.736 183 HD3 ARG 22 HD1 ARG 22 2.757 -8.664 -4.061 184 HE ARG 22 HE ARG 22 4.480 -8.099 -1.817 185 HH11 ARG 22 HH11 ARG 22 4.166 -9.892 -4.800 186 HH12 ARG 22 HH12 ARG 22 5.874 -9.944 -5.097 187 HH21 ARG 22 HH21 ARG 22 6.733 -8.154 -2.213 188 HH22 ARG 22 HH22 ARG 22 7.334 -8.952 -3.630 189 H ALA 23 HN ALA 23 4.092 -6.167 0.958 190 HA ALA 23 HA ALA 23 5.022 -3.407 0.954 191 HB1 ALA 23 HB1 ALA 23 4.760 -4.307 3.127 192 HB2 ALA 23 HB2 ALA 23 6.499 -4.311 2.826 193 HB3 ALA 23 HB3 ALA 23 5.570 -5.810 2.685 194 H ILE 24 HN ILE 24 6.283 -3.050 -0.801 195 HA ILE 24 HA ILE 24 8.243 -5.076 -1.580 196 HB ILE 24 HB ILE 24 8.699 -3.475 -3.508 197 HG12 ILE 24 HG12 ILE 24 6.011 -2.306 -2.801 198 HG13 ILE 24 HG11 ILE 24 7.511 -1.555 -2.268 199 HG21 ILE 24 HG21 ILE 24 6.750 -4.252 -4.767 200 HG22 ILE 24 HG22 ILE 24 5.950 -4.689 -3.256 201 HG23 ILE 24 HG23 ILE 24 7.418 -5.531 -3.753 202 HD11 ILE 24 HD11 ILE 24 8.205 -1.257 -4.565 203 HD12 ILE 24 HD12 ILE 24 6.616 -0.537 -4.303 204 HD13 ILE 24 HD13 ILE 24 6.756 -2.088 -5.131 205 H ARG 25 HN ARG 25 10.366 -4.869 -1.263 206 HA ARG 25 HA ARG 25 11.265 -2.491 0.194 207 HB2 ARG 25 HB2 ARG 25 11.605 -4.497 1.438 208 HB3 ARG 25 HB1 ARG 25 12.316 -5.316 0.060 209 HG2 ARG 25 HG2 ARG 25 14.222 -3.698 0.187 210 HG3 ARG 25 HG1 ARG 25 13.524 -3.096 1.695 211 HD2 ARG 25 HD2 ARG 25 13.706 -5.297 2.688 212 HD3 ARG 25 HD1 ARG 25 14.307 -5.965 1.175 213 HE ARG 25 HE ARG 25 16.311 -4.629 1.493 214 HH11 ARG 25 HH11 ARG 25 14.209 -4.937 4.280 215 HH12 ARG 25 HH12 ARG 25 15.493 -4.732 5.428 216 HH21 ARG 25 HH21 ARG 25 18.006 -4.316 3.024 217 HH22 ARG 25 HH22 ARG 25 17.634 -4.371 4.720 218 H VAL 26 HN VAL 26 12.409 -1.050 -0.844 219 HA VAL 26 HA VAL 26 14.007 -1.864 -3.187 220 HB VAL 26 HB VAL 26 13.135 0.975 -2.691 221 HG11 VAL 26 HG11 VAL 26 13.143 0.966 -5.226 222 HG12 VAL 26 HG12 VAL 26 13.908 -0.619 -5.119 223 HG13 VAL 26 HG13 VAL 26 14.707 0.796 -4.433 224 HG21 VAL 26 HG21 VAL 26 11.118 0.643 -4.006 225 HG22 VAL 26 HG22 VAL 26 11.087 -0.375 -2.564 226 HG23 VAL 26 HG23 VAL 26 11.466 -1.081 -4.136 227 H TYR 27 HN TYR 27 15.896 -0.052 -3.430 228 HA TYR 27 HA TYR 27 16.923 0.451 -0.727 229 HB2 TYR 27 HB2 TYR 27 18.113 -1.096 -2.871 230 HB3 TYR 27 HB1 TYR 27 19.174 0.181 -2.311 231 HD1 TYR 27 HD2 TYR 27 17.080 -2.625 -1.053 232 HD2 TYR 27 HD1 TYR 27 20.478 -0.156 -0.419 233 HE1 TYR 27 HE2 TYR 27 17.719 -4.012 0.871 234 HE2 TYR 27 HE1 TYR 27 21.127 -1.533 1.512 235 HH TYR 27 HH TYR 27 20.413 -3.133 2.962 236 H MET 28 HN MET 28 18.167 2.244 -0.445 237 HA MET 28 HA MET 28 17.742 4.363 -2.379 238 HB2 MET 28 HB2 MET 28 18.769 4.355 0.457 239 HB3 MET 28 HB1 MET 28 18.603 5.786 -0.526 240 HG2 MET 28 HG2 MET 28 16.386 3.973 0.356 241 HG3 MET 28 HG1 MET 28 16.765 5.557 1.017 242 HE1 MET 28 HE1 MET 28 16.553 7.806 -0.346 243 HE2 MET 28 HE2 MET 28 15.901 7.924 -1.980 244 HE3 MET 28 HE3 MET 28 17.476 7.180 -1.712 245 H GLY 29 HN GLY 29 19.270 4.754 -3.831 246 HA2 GLY 29 HA2 GLY 29 21.877 3.627 -3.712 247 HA3 GLY 29 HA1 GLY 29 21.316 4.821 -4.876 248 H ASP 30 HN ASP 30 22.703 4.342 -1.701 249 HA ASP 30 HA ASP 30 24.401 6.577 -1.839 250 HB2 ASP 30 HB2 ASP 30 22.558 8.032 -1.498 251 HB3 ASP 30 HB1 ASP 30 21.825 6.957 -0.314 252 H SER 31 HN SER 31 22.446 4.744 0.490 253 HA SER 31 HA SER 31 24.926 3.971 1.850 254 HB2 SER 31 HB2 SER 31 22.328 4.821 3.154 255 HB3 SER 31 HB1 SER 31 23.716 4.156 4.010 256 HG SER 31 HG SER 31 23.580 6.596 2.558 257 H ASP 32 HN ASP 32 23.395 2.437 3.839 258 HA ASP 32 HA ASP 32 22.742 0.141 2.112 259 HB2 ASP 32 HB2 ASP 32 24.039 0.432 4.742 260 HB3 ASP 32 HB1 ASP 32 22.849 -0.863 4.666 261 H VAL 33 HN VAL 33 21.178 2.567 3.238 262 HA VAL 33 HA VAL 33 19.103 1.358 4.784 263 HB VAL 33 HB VAL 33 19.656 3.690 5.115 264 HG11 VAL 33 HG11 VAL 33 18.531 4.259 2.391 265 HG12 VAL 33 HG12 VAL 33 20.258 4.151 2.729 266 HG13 VAL 33 HG13 VAL 33 19.284 5.401 3.504 267 HG21 VAL 33 HG21 VAL 33 17.406 2.988 5.650 268 HG22 VAL 33 HG22 VAL 33 16.889 3.342 4.004 269 HG23 VAL 33 HG23 VAL 33 17.412 4.650 5.064 270 H TYR 34 HN TYR 34 17.018 0.979 4.168 271 HA TYR 34 HA TYR 34 16.681 0.487 1.286 272 HB2 TYR 34 HB2 TYR 34 15.004 -1.235 1.961 273 HB3 TYR 34 HB1 TYR 34 16.645 -1.599 2.466 274 HD1 TYR 34 HD1 TYR 34 17.253 -1.561 4.833 275 HD2 TYR 34 HD2 TYR 34 13.281 -0.701 3.575 276 HE1 TYR 34 HE1 TYR 34 16.465 -1.841 7.147 277 HE2 TYR 34 HE2 TYR 34 12.483 -0.975 5.880 278 HH TYR 34 HH TYR 34 14.594 -1.149 8.552 279 H THR 35 HN THR 35 14.447 0.484 0.558 280 HA THR 35 HA THR 35 12.867 2.601 1.861 281 HB THR 35 HB THR 35 12.627 2.275 -1.071 282 HG1 THR 35 HG1 THR 35 14.636 3.942 -0.765 283 HG21 THR 35 HG21 THR 35 11.478 3.987 0.448 284 HG22 THR 35 HG22 THR 35 12.234 4.591 -1.026 285 HG23 THR 35 HG23 THR 35 13.049 4.786 0.525 286 H VAL 36 HN VAL 36 11.322 1.342 2.806 287 HA VAL 36 HA VAL 36 10.117 -0.825 1.304 288 HB VAL 36 HB VAL 36 10.527 -1.327 3.604 289 HG11 VAL 36 HG11 VAL 36 9.404 -0.061 5.440 290 HG12 VAL 36 HG12 VAL 36 8.955 1.160 4.250 291 HG13 VAL 36 HG13 VAL 36 10.657 0.844 4.590 292 HG21 VAL 36 HG21 VAL 36 7.579 -0.853 3.176 293 HG22 VAL 36 HG22 VAL 36 8.276 -1.904 4.409 294 HG23 VAL 36 HG23 VAL 36 8.489 -2.284 2.699 295 H HIS 37 HN HIS 37 8.459 -0.524 0.009 296 HA HIS 37 HA HIS 37 6.725 1.810 0.467 297 HB2 HIS 37 HB2 HIS 37 7.414 0.343 -2.077 298 HB3 HIS 37 HB1 HIS 37 6.136 1.534 -1.973 299 HD2 HIS 37 HD2 HIS 37 10.050 1.396 -1.658 300 HE1 HIS 37 HE1 HIS 37 8.822 5.307 -2.696 301 HE2 HIS 37 HE2 HIS 37 10.789 3.724 -2.534 302 H HIS 38 HN HIS 38 4.494 1.556 0.185 303 HA HIS 38 HA HIS 38 3.554 -1.212 0.509 304 HB2 HIS 38 HB2 HIS 38 2.222 1.372 1.385 305 HB3 HIS 38 HB1 HIS 38 1.595 -0.252 1.664 306 HD2 HIS 38 HD2 HIS 38 3.781 2.327 3.350 307 HE1 HIS 38 HE1 HIS 38 4.599 -1.366 5.243 308 HE2 HIS 38 HE2 HIS 38 4.780 1.152 5.435 309 H MET 39 HN MET 39 3.024 -1.905 -1.463 310 HA MET 39 HA MET 39 1.345 -0.143 -3.120 311 HB2 MET 39 HB2 MET 39 3.323 -0.271 -4.334 312 HB3 MET 39 HB1 MET 39 3.639 -1.928 -3.839 313 HG2 MET 39 HG2 MET 39 1.206 -1.627 -5.422 314 HG3 MET 39 HG1 MET 39 2.667 -1.134 -6.275 315 HE1 MET 39 HE1 MET 39 4.528 -4.265 -7.031 316 HE2 MET 39 HE2 MET 39 4.882 -2.733 -6.229 317 HE3 MET 39 HE3 MET 39 3.899 -2.757 -7.696 318 H VAL 40 HN VAL 40 -0.490 -0.941 -3.930 319 HA VAL 40 HA VAL 40 -1.503 -3.441 -3.000 320 HB VAL 40 HB VAL 40 -3.220 -1.912 -3.292 321 HG11 VAL 40 HG11 VAL 40 -3.435 -0.518 -5.394 322 HG12 VAL 40 HG12 VAL 40 -1.795 -1.034 -5.781 323 HG13 VAL 40 HG13 VAL 40 -2.108 -0.116 -4.309 324 HG21 VAL 40 HG21 VAL 40 -4.346 -2.476 -5.595 325 HG22 VAL 40 HG22 VAL 40 -4.209 -3.702 -4.330 326 HG23 VAL 40 HG23 VAL 40 -3.067 -3.692 -5.675 327 H TRP 41 HN TRP 41 -1.056 -5.349 -3.878 328 HA TRP 41 HA TRP 41 0.437 -5.471 -6.355 329 HB2 TRP 41 HB2 TRP 41 1.195 -6.737 -4.435 330 HB3 TRP 41 HB1 TRP 41 -0.333 -7.613 -4.369 331 HD1 TRP 41 HD1 TRP 41 -0.517 -9.762 -5.826 332 HE1 TRP 41 HE1 TRP 41 1.068 -10.980 -7.453 333 HE3 TRP 41 HE3 TRP 41 3.107 -6.185 -6.250 334 HZ2 TRP 41 HZ2 TRP 41 3.534 -10.482 -8.740 335 HZ3 TRP 41 HZ3 TRP 41 5.046 -6.634 -7.694 336 HH2 TRP 41 HH2 TRP 41 5.253 -8.739 -8.912 337 H HIS 42 HN HIS 42 -2.754 -6.416 -5.220 338 HA HIS 42 HA HIS 42 -3.574 -6.807 -7.970 339 HB2 HIS 42 HB2 HIS 42 -2.623 -9.036 -7.118 340 HB3 HIS 42 HB1 HIS 42 -3.987 -9.085 -6.011 341 HD2 HIS 42 HD2 HIS 42 -3.170 -9.653 -9.743 342 HE1 HIS 42 HE1 HIS 42 -7.271 -10.490 -9.124 343 HE2 HIS 42 HE2 HIS 42 -5.314 -10.741 -10.713 344 H VAL 43 HN VAL 43 -5.845 -6.887 -8.212 345 HA VAL 43 HA VAL 43 -7.420 -6.217 -5.823 346 HB VAL 43 HB VAL 43 -7.740 -4.813 -8.487 347 HG11 VAL 43 HG11 VAL 43 -9.785 -4.970 -7.185 348 HG12 VAL 43 HG12 VAL 43 -9.206 -3.304 -7.233 349 HG13 VAL 43 HG13 VAL 43 -8.963 -4.281 -5.785 350 HG21 VAL 43 HG21 VAL 43 -6.758 -2.845 -7.499 351 HG22 VAL 43 HG22 VAL 43 -5.615 -4.184 -7.388 352 HG23 VAL 43 HG23 VAL 43 -6.531 -3.687 -5.965 353 H GLU 44 HN GLU 44 -9.139 -7.543 -5.669 354 HA GLU 44 HA GLU 44 -9.736 -9.573 -7.418 355 HB2 GLU 44 HB2 GLU 44 -11.545 -8.171 -5.449 356 HB3 GLU 44 HB1 GLU 44 -11.811 -9.748 -6.138 357 HG2 GLU 44 HG2 GLU 44 -9.522 -8.994 -4.357 358 HG3 GLU 44 HG1 GLU 44 -10.949 -9.907 -3.876 359 H ASP 45 HN ASP 45 -10.903 -9.740 -9.236 360 HA ASP 45 HA ASP 45 -11.650 -7.503 -10.739 361 HB2 ASP 45 HB2 ASP 45 -12.325 -10.426 -10.982 362 HB3 ASP 45 HB1 ASP 45 -12.970 -9.239 -12.110 363 H GLY 46 HN GLY 46 -13.221 -6.127 -10.343 364 HA2 GLY 46 HA2 GLY 46 -15.397 -5.384 -10.084 365 HA3 GLY 46 HA1 GLY 46 -15.921 -7.056 -9.964 366 H GLY 47 HN GLY 47 -13.366 -6.308 -7.862 367 HA2 GLY 47 HA2 GLY 47 -15.045 -6.677 -5.554 368 HA3 GLY 47 HA1 GLY 47 -13.309 -6.397 -5.554 369 HA PRO 48 HA PRO 48 -15.793 -2.643 -3.935 370 HB2 PRO 48 HB2 PRO 48 -13.719 -3.095 -1.847 371 HB3 PRO 48 HB1 PRO 48 -15.403 -2.592 -1.646 372 HG2 PRO 48 HG2 PRO 48 -14.742 -5.037 -1.057 373 HG3 PRO 48 HG1 PRO 48 -16.157 -4.762 -2.080 374 HD2 PRO 48 HD2 PRO 48 -13.395 -5.536 -2.914 375 HD3 PRO 48 HD1 PRO 48 -14.939 -6.253 -3.370 376 H ALA 49 HN ALA 49 -12.382 -3.349 -3.440 377 HA ALA 49 HA ALA 49 -11.454 -0.725 -3.748 378 HB1 ALA 49 HB1 ALA 49 -10.010 -3.328 -4.248 379 HB2 ALA 49 HB2 ALA 49 -10.044 -2.413 -2.743 380 HB3 ALA 49 HB3 ALA 49 -9.226 -1.752 -4.158 381 H SER 50 HN SER 50 -12.035 -3.238 -6.100 382 HA SER 50 HA SER 50 -10.861 -1.982 -8.333 383 HB2 SER 50 HB2 SER 50 -12.139 -4.385 -7.815 384 HB3 SER 50 HB1 SER 50 -13.252 -3.556 -8.902 385 HG SER 50 HG SER 50 -11.461 -3.274 -10.341 386 H GLU 51 HN GLU 51 -14.006 -1.847 -6.833 387 HA GLU 51 HA GLU 51 -15.266 -0.223 -8.821 388 HB2 GLU 51 HB2 GLU 51 -16.024 -0.733 -5.937 389 HB3 GLU 51 HB1 GLU 51 -17.051 0.059 -7.125 390 HG2 GLU 51 HG2 GLU 51 -16.728 -2.137 -8.469 391 HG3 GLU 51 HG1 GLU 51 -16.261 -2.807 -6.908 392 H ALA 52 HN ALA 52 -13.404 0.330 -5.977 393 HA ALA 52 HA ALA 52 -14.059 3.100 -5.694 394 HB1 ALA 52 HB1 ALA 52 -11.769 1.540 -4.527 395 HB2 ALA 52 HB2 ALA 52 -13.377 1.668 -3.812 396 HB3 ALA 52 HB3 ALA 52 -12.365 3.106 -3.978 397 H GLY 53 HN GLY 53 -11.831 1.263 -7.573 398 HA2 GLY 53 HA2 GLY 53 -10.850 2.302 -9.501 399 HA3 GLY 53 HA1 GLY 53 -10.719 3.775 -8.566 400 H LEU 54 HN LEU 54 -9.786 1.117 -6.716 401 HA LEU 54 HA LEU 54 -7.086 1.990 -6.611 402 HB2 LEU 54 HB2 LEU 54 -8.687 0.366 -5.075 403 HB3 LEU 54 HB1 LEU 54 -7.544 -0.765 -5.751 404 HG LEU 54 HG LEU 54 -7.076 1.500 -3.857 405 HD11 LEU 54 HD11 LEU 54 -7.393 -0.819 -3.059 406 HD12 LEU 54 HD12 LEU 54 -5.814 -0.138 -2.645 407 HD13 LEU 54 HD13 LEU 54 -5.958 -1.290 -3.974 408 HD21 LEU 54 HD21 LEU 54 -5.511 2.047 -5.549 409 HD22 LEU 54 HD22 LEU 54 -5.058 0.361 -5.768 410 HD23 LEU 54 HD23 LEU 54 -4.621 1.206 -4.282 411 H ARG 55 HN ARG 55 -5.364 1.365 -7.714 412 HA ARG 55 HA ARG 55 -5.702 -0.785 -9.702 413 HB2 ARG 55 HB2 ARG 55 -3.842 1.582 -9.943 414 HB3 ARG 55 HB1 ARG 55 -4.287 0.429 -11.198 415 HG2 ARG 55 HG2 ARG 55 -6.327 2.185 -9.885 416 HG3 ARG 55 HG1 ARG 55 -5.370 2.734 -11.257 417 HD2 ARG 55 HD2 ARG 55 -6.277 1.087 -12.679 418 HD3 ARG 55 HD1 ARG 55 -6.919 0.163 -11.322 419 HE ARG 55 HE ARG 55 -7.988 2.839 -11.907 420 HH11 ARG 55 HH11 ARG 55 -8.435 -0.628 -11.666 421 HH12 ARG 55 HH12 ARG 55 -10.161 -0.547 -11.799 422 HH21 ARG 55 HH21 ARG 55 -10.266 2.955 -12.075 423 HH22 ARG 55 HH22 ARG 55 -11.208 1.496 -12.040 424 H GLN 56 HN GLN 56 -4.292 -2.410 -9.650 425 HA GLN 56 HA GLN 56 -2.403 -2.550 -7.518 426 HB2 GLN 56 HB2 GLN 56 -1.802 -4.694 -9.146 427 HB3 GLN 56 HB1 GLN 56 -2.891 -4.704 -7.780 428 HG2 GLN 56 HG2 GLN 56 -4.767 -4.625 -9.084 429 HG3 GLN 56 HG1 GLN 56 -3.893 -3.949 -10.432 430 HE21 GLN 56 HE21 GLN 56 -1.727 -5.831 -10.362 431 HE22 GLN 56 HE22 GLN 56 -2.353 -7.336 -10.934 432 H GLY 57 HN GLY 57 -0.283 -2.262 -7.513 433 HA2 GLY 57 HA2 GLY 57 1.870 -2.262 -8.528 434 HA3 GLY 57 HA1 GLY 57 1.120 -1.895 -10.068 435 H ASP 58 HN ASP 58 -0.368 -0.001 -7.795 436 HA ASP 58 HA ASP 58 1.138 2.343 -8.610 437 HB2 ASP 58 HB2 ASP 58 -1.257 2.082 -6.773 438 HB3 ASP 58 HB1 ASP 58 -0.550 3.600 -7.294 439 H LEU 59 HN LEU 59 0.588 3.799 -6.153 440 HA LEU 59 HA LEU 59 2.225 2.454 -4.195 441 HB2 LEU 59 HB2 LEU 59 2.914 4.925 -5.668 442 HB3 LEU 59 HB1 LEU 59 3.204 4.947 -3.940 443 HG LEU 59 HG LEU 59 4.393 3.060 -5.951 444 HD11 LEU 59 HD11 LEU 59 5.375 5.306 -5.891 445 HD12 LEU 59 HD12 LEU 59 6.499 4.084 -5.295 446 HD13 LEU 59 HD13 LEU 59 5.650 5.130 -4.159 447 HD21 LEU 59 HD21 LEU 59 4.051 1.728 -4.039 448 HD22 LEU 59 HD22 LEU 59 4.480 3.044 -2.948 449 HD23 LEU 59 HD23 LEU 59 5.724 2.273 -3.932 450 H ILE 60 HN ILE 60 1.045 2.482 -2.418 451 HA ILE 60 HA ILE 60 -0.952 4.519 -2.023 452 HB ILE 60 HB ILE 60 -0.079 2.243 -0.226 453 HG12 ILE 60 HG12 ILE 60 -2.669 2.497 -1.759 454 HG13 ILE 60 HG11 ILE 60 -1.241 1.749 -2.462 455 HG21 ILE 60 HG21 ILE 60 -2.127 2.706 1.053 456 HG22 ILE 60 HG22 ILE 60 -2.405 4.137 0.059 457 HG23 ILE 60 HG23 ILE 60 -0.987 4.053 1.104 458 HD11 ILE 60 HD11 ILE 60 -2.832 0.829 -0.096 459 HD12 ILE 60 HD12 ILE 60 -1.238 0.184 -0.489 460 HD13 ILE 60 HD13 ILE 60 -2.571 0.003 -1.632 461 H THR 61 HN THR 61 -0.430 6.449 -1.214 462 HA THR 61 HA THR 61 2.031 6.681 0.337 463 HB THR 61 HB THR 61 1.994 8.189 -1.492 464 HG1 THR 61 HG1 THR 61 1.228 9.889 0.628 465 HG21 THR 61 HG21 THR 61 0.239 9.855 -1.849 466 HG22 THR 61 HG22 THR 61 -0.671 9.193 -0.491 467 HG23 THR 61 HG23 THR 61 -0.410 8.216 -1.938 468 H HIS 62 HN HIS 62 -1.440 7.201 0.651 469 HA HIS 62 HA HIS 62 -1.011 7.498 3.529 470 HB2 HIS 62 HB2 HIS 62 -2.739 9.420 1.955 471 HB3 HIS 62 HB1 HIS 62 -2.664 9.331 3.702 472 HD2 HIS 62 HD2 HIS 62 -0.365 10.390 4.881 473 HE1 HIS 62 HE1 HIS 62 1.025 12.200 1.317 474 HE2 HIS 62 HE2 HIS 62 1.294 12.089 3.834 475 H VAL 63 HN VAL 63 -2.709 6.846 4.803 476 HA VAL 63 HA VAL 63 -4.970 5.563 3.420 477 HB VAL 63 HB VAL 63 -3.377 4.472 5.747 478 HG11 VAL 63 HG11 VAL 63 -5.855 3.281 4.516 479 HG12 VAL 63 HG12 VAL 63 -5.841 4.200 6.020 480 HG13 VAL 63 HG13 VAL 63 -4.954 2.682 5.908 481 HG21 VAL 63 HG21 VAL 63 -2.911 2.592 4.298 482 HG22 VAL 63 HG22 VAL 63 -2.432 4.084 3.489 483 HG23 VAL 63 HG23 VAL 63 -3.931 3.277 3.030 484 H ASN 64 HN ASN 64 -6.782 6.531 4.010 485 HA ASN 64 HA ASN 64 -8.383 7.588 5.230 486 HB2 ASN 64 HB2 ASN 64 -6.849 6.376 7.535 487 HB3 ASN 64 HB1 ASN 64 -8.359 7.256 7.733 488 HD21 ASN 64 HD21 ASN 64 -7.563 4.421 8.202 489 HD22 ASN 64 HD22 ASN 64 -8.733 3.492 7.339 490 H GLY 65 HN GLY 65 -5.736 8.806 4.575 491 HA2 GLY 65 HA2 GLY 65 -5.074 11.032 4.654 492 HA3 GLY 65 HA1 GLY 65 -6.163 11.285 6.010 493 H GLU 66 HN GLU 66 -3.944 8.620 6.141 494 HA GLU 66 HA GLU 66 -2.326 10.130 8.091 495 HB2 GLU 66 HB2 GLU 66 -2.713 7.150 8.025 496 HB3 GLU 66 HB1 GLU 66 -2.058 8.119 9.337 497 HG2 GLU 66 HG2 GLU 66 -4.866 8.502 8.413 498 HG3 GLU 66 HG1 GLU 66 -4.452 7.189 9.500 499 HA PRO 67 HA PRO 67 1.118 9.145 5.461 500 HB2 PRO 67 HB2 PRO 67 3.129 9.748 7.185 501 HB3 PRO 67 HB1 PRO 67 2.182 10.972 6.336 502 HG2 PRO 67 HG2 PRO 67 2.031 10.089 9.162 503 HG3 PRO 67 HG1 PRO 67 1.714 11.680 8.460 504 HD2 PRO 67 HD2 PRO 67 -0.217 9.838 9.235 505 HD3 PRO 67 HD1 PRO 67 -0.481 11.212 8.150 506 H VAL 68 HN VAL 68 1.373 7.052 5.065 507 HA VAL 68 HA VAL 68 1.892 5.169 7.218 508 HB VAL 68 HB VAL 68 1.624 3.431 5.564 509 HG11 VAL 68 HG11 VAL 68 -0.705 3.871 4.903 510 HG12 VAL 68 HG12 VAL 68 -0.490 5.568 5.332 511 HG13 VAL 68 HG13 VAL 68 -0.386 4.322 6.576 512 HG21 VAL 68 HG21 VAL 68 1.088 3.935 3.224 513 HG22 VAL 68 HG22 VAL 68 2.700 4.505 3.656 514 HG23 VAL 68 HG23 VAL 68 1.363 5.648 3.531 515 H HIS 69 HN HIS 69 3.715 7.052 5.121 516 HA HIS 69 HA HIS 69 5.853 5.270 4.596 517 HB2 HIS 69 HB2 HIS 69 5.359 7.443 3.381 518 HB3 HIS 69 HB1 HIS 69 6.047 8.277 4.768 519 HD2 HIS 69 HD2 HIS 69 8.725 8.547 4.722 520 HE1 HIS 69 HE1 HIS 69 9.461 5.869 1.532 521 HE2 HIS 69 HE2 HIS 69 10.436 7.728 2.953 522 H GLY 70 HN GLY 70 6.722 4.268 6.296 523 HA2 GLY 70 HA2 GLY 70 8.695 4.869 7.821 524 HA3 GLY 70 HA1 GLY 70 7.508 5.888 8.620 525 H LEU 71 HN LEU 71 5.332 3.945 8.189 526 HA LEU 71 HA LEU 71 5.822 2.385 10.557 527 HB2 LEU 71 HB2 LEU 71 3.473 1.872 8.805 528 HB3 LEU 71 HB1 LEU 71 3.586 1.856 10.552 529 HG LEU 71 HG LEU 71 3.632 4.337 8.903 530 HD11 LEU 71 HD11 LEU 71 1.540 3.726 8.422 531 HD12 LEU 71 HD12 LEU 71 1.211 4.344 10.043 532 HD13 LEU 71 HD13 LEU 71 1.444 2.608 9.782 533 HD21 LEU 71 HD21 LEU 71 2.981 5.394 11.052 534 HD22 LEU 71 HD22 LEU 71 4.581 4.654 11.096 535 HD23 LEU 71 HD23 LEU 71 3.209 3.832 11.839 536 H VAL 72 HN VAL 72 4.864 0.069 10.426 537 HA VAL 72 HA VAL 72 6.471 -1.423 8.528 538 HB VAL 72 HB VAL 72 5.660 -3.410 9.790 539 HG11 VAL 72 HG11 VAL 72 7.730 -2.351 10.474 540 HG12 VAL 72 HG12 VAL 72 6.851 -2.928 11.889 541 HG13 VAL 72 HG13 VAL 72 6.839 -1.213 11.485 542 HG21 VAL 72 HG21 VAL 72 3.707 -3.190 10.845 543 HG22 VAL 72 HG22 VAL 72 3.806 -1.423 10.844 544 HG23 VAL 72 HG23 VAL 72 4.607 -2.362 12.116 545 H HIS 73 HN HIS 73 5.225 -3.527 7.751 546 HA HIS 73 HA HIS 73 3.285 -2.652 5.911 547 HB2 HIS 73 HB2 HIS 73 4.749 -4.583 5.532 548 HB3 HIS 73 HB1 HIS 73 3.931 -5.462 6.814 549 HD1 HIS 73 HD1 HIS 73 2.787 -3.714 3.595 550 HD2 HIS 73 HD2 HIS 73 2.150 -7.160 5.830 551 HE1 HIS 73 HE1 HIS 73 1.114 -5.105 2.306 552 H THR 74 HN THR 74 3.007 -4.326 9.006 553 HA THR 74 HA THR 74 0.197 -4.752 8.800 554 HB THR 74 HB THR 74 0.494 -5.047 11.374 555 HG1 THR 74 HG1 THR 74 2.591 -5.278 12.028 556 HG21 THR 74 HG21 THR 74 1.393 -7.318 10.976 557 HG22 THR 74 HG22 THR 74 1.804 -6.835 9.330 558 HG23 THR 74 HG23 THR 74 0.116 -6.879 9.839 559 H GLU 75 HN GLU 75 2.142 -2.080 10.093 560 HA GLU 75 HA GLU 75 0.152 -0.895 11.652 561 HB2 GLU 75 HB2 GLU 75 2.511 0.316 10.194 562 HB3 GLU 75 HB1 GLU 75 1.393 1.245 11.125 563 HG2 GLU 75 HG2 GLU 75 2.616 -1.097 12.422 564 HG3 GLU 75 HG1 GLU 75 3.566 0.379 12.235 565 H VAL 76 HN VAL 76 0.978 -0.558 8.263 566 HA VAL 76 HA VAL 76 -1.073 1.365 7.743 567 HB VAL 76 HB VAL 76 -0.408 1.335 5.500 568 HG11 VAL 76 HG11 VAL 76 1.317 2.158 7.023 569 HG12 VAL 76 HG12 VAL 76 2.030 1.436 5.579 570 HG13 VAL 76 HG13 VAL 76 2.024 0.546 7.101 571 HG21 VAL 76 HG21 VAL 76 0.856 -0.434 4.423 572 HG22 VAL 76 HG22 VAL 76 -0.645 -1.074 5.092 573 HG23 VAL 76 HG23 VAL 76 0.883 -1.357 5.926 574 H VAL 77 HN VAL 77 -0.795 -2.136 7.541 575 HA VAL 77 HA VAL 77 -3.175 -2.702 6.159 576 HB VAL 77 HB VAL 77 -1.509 -4.243 8.131 577 HG11 VAL 77 HG11 VAL 77 -3.863 -4.875 8.536 578 HG12 VAL 77 HG12 VAL 77 -2.890 -6.192 7.881 579 HG13 VAL 77 HG13 VAL 77 -4.008 -5.316 6.834 580 HG21 VAL 77 HG21 VAL 77 -1.120 -5.692 6.199 581 HG22 VAL 77 HG22 VAL 77 -0.687 -4.017 5.850 582 HG23 VAL 77 HG23 VAL 77 -2.196 -4.687 5.229 583 H GLU 78 HN GLU 78 -2.493 -2.432 9.616 584 HA GLU 78 HA GLU 78 -5.102 -2.818 10.517 585 HB2 GLU 78 HB2 GLU 78 -2.845 -1.305 11.701 586 HB3 GLU 78 HB1 GLU 78 -4.346 -1.609 12.548 587 HG2 GLU 78 HG2 GLU 78 -3.897 -4.023 11.895 588 HG3 GLU 78 HG1 GLU 78 -2.232 -3.505 11.726 589 H LEU 79 HN LEU 79 -3.297 0.071 9.865 590 HA LEU 79 HA LEU 79 -5.063 2.074 10.391 591 HB2 LEU 79 HB2 LEU 79 -2.717 1.860 8.937 592 HB3 LEU 79 HB1 LEU 79 -3.873 2.449 7.756 593 HG LEU 79 HG LEU 79 -4.448 4.270 9.428 594 HD11 LEU 79 HD11 LEU 79 -1.943 3.193 10.697 595 HD12 LEU 79 HD12 LEU 79 -3.545 3.316 11.423 596 HD13 LEU 79 HD13 LEU 79 -2.632 4.779 11.046 597 HD21 LEU 79 HD21 LEU 79 -2.093 3.954 7.733 598 HD22 LEU 79 HD22 LEU 79 -1.948 5.231 8.944 599 HD23 LEU 79 HD23 LEU 79 -3.288 5.254 7.795 600 H ILE 80 HN ILE 80 -4.852 0.411 7.224 601 HA ILE 80 HA ILE 80 -7.091 1.429 6.012 602 HB ILE 80 HB ILE 80 -5.962 -1.363 5.911 603 HG12 ILE 80 HG12 ILE 80 -5.503 0.746 3.864 604 HG13 ILE 80 HG11 ILE 80 -4.614 0.823 5.368 605 HG21 ILE 80 HG21 ILE 80 -7.029 -1.522 3.708 606 HG22 ILE 80 HG22 ILE 80 -7.825 0.024 4.002 607 HG23 ILE 80 HG23 ILE 80 -8.188 -1.367 5.029 608 HD11 ILE 80 HD11 ILE 80 -3.558 -1.193 4.996 609 HD12 ILE 80 HD12 ILE 80 -3.500 -0.359 3.441 610 HD13 ILE 80 HD13 ILE 80 -4.669 -1.657 3.707 611 H LEU 81 HN LEU 81 -6.890 -1.589 7.873 612 HA LEU 81 HA LEU 81 -9.575 -2.271 7.886 613 HB2 LEU 81 HB2 LEU 81 -7.301 -2.808 9.738 614 HB3 LEU 81 HB1 LEU 81 -8.912 -3.306 10.212 615 HG LEU 81 HG LEU 81 -7.629 -4.142 7.617 616 HD11 LEU 81 HD11 LEU 81 -7.766 -5.652 10.221 617 HD12 LEU 81 HD12 LEU 81 -6.308 -4.953 9.517 618 HD13 LEU 81 HD13 LEU 81 -7.145 -6.268 8.689 619 HD21 LEU 81 HD21 LEU 81 -9.368 -5.959 7.844 620 HD22 LEU 81 HD22 LEU 81 -9.980 -4.346 7.489 621 HD23 LEU 81 HD23 LEU 81 -10.087 -4.987 9.128 622 H LYS 82 HN LYS 82 -7.891 -0.095 10.139 623 HA LYS 82 HA LYS 82 -10.037 0.241 11.915 624 HB2 LYS 82 HB2 LYS 82 -7.688 2.025 11.379 625 HB3 LYS 82 HB1 LYS 82 -8.757 2.135 12.776 626 HG2 LYS 82 HG2 LYS 82 -8.166 -0.255 13.246 627 HG3 LYS 82 HG1 LYS 82 -6.928 -0.095 12.029 628 HD2 LYS 82 HD2 LYS 82 -7.112 1.761 14.383 629 HD3 LYS 82 HD1 LYS 82 -6.196 0.258 14.441 630 HE2 LYS 82 HE2 LYS 82 -4.888 1.055 12.477 631 HE3 LYS 82 HE1 LYS 82 -5.739 2.594 12.589 632 HZ1 LYS 82 HZ1 LYS 82 -3.951 1.406 14.641 633 HZ2 LYS 82 HZ2 LYS 82 -4.863 2.810 14.871 634 HZ3 LYS 82 HZ3 LYS 82 -3.645 2.778 13.701 635 H SER 83 HN SER 83 -9.888 1.311 8.768 636 HA SER 83 HA SER 83 -10.789 3.926 8.803 637 HB2 SER 83 HB2 SER 83 -11.752 3.445 6.583 638 HB3 SER 83 HB1 SER 83 -10.130 2.782 6.758 639 HG SER 83 HG SER 83 -12.240 1.487 6.009 640 H GLY 84 HN GLY 84 -12.833 1.010 8.583 641 HA2 GLY 84 HA2 GLY 84 -14.850 0.681 9.763 642 HA3 GLY 84 HA1 GLY 84 -14.907 2.404 10.108 643 H ASN 85 HN ASN 85 -15.842 -0.108 7.998 644 HA ASN 85 HA ASN 85 -17.464 -0.255 6.436 645 HB2 ASN 85 HB2 ASN 85 -19.028 1.155 7.337 646 HB3 ASN 85 HB1 ASN 85 -17.927 2.525 7.399 647 HD21 ASN 85 HD21 ASN 85 -19.963 0.600 5.283 648 HD22 ASN 85 HD22 ASN 85 -20.187 1.825 4.086 649 H LYS 86 HN LYS 86 -15.401 2.617 5.960 650 HA LYS 86 HA LYS 86 -14.651 1.573 3.397 651 HB2 LYS 86 HB2 LYS 86 -15.002 3.688 2.231 652 HB3 LYS 86 HB1 LYS 86 -16.490 2.935 2.738 653 HG2 LYS 86 HG2 LYS 86 -16.246 4.477 4.813 654 HG3 LYS 86 HG1 LYS 86 -15.183 5.379 3.736 655 HD2 LYS 86 HD2 LYS 86 -17.145 5.180 2.058 656 HD3 LYS 86 HD1 LYS 86 -18.100 4.828 3.499 657 HE2 LYS 86 HE2 LYS 86 -17.460 6.942 4.478 658 HE3 LYS 86 HE1 LYS 86 -16.401 7.286 3.112 659 HZ1 LYS 86 HZ1 LYS 86 -19.358 7.028 3.012 660 HZ2 LYS 86 HZ2 LYS 86 -18.361 7.282 1.670 661 HZ3 LYS 86 HZ3 LYS 86 -18.473 8.461 2.873 662 H VAL 87 HN VAL 87 -12.828 2.547 2.562 663 HA VAL 87 HA VAL 87 -11.293 4.100 4.535 664 HB VAL 87 HB VAL 87 -10.625 1.829 4.831 665 HG11 VAL 87 HG11 VAL 87 -11.429 0.995 2.657 666 HG12 VAL 87 HG12 VAL 87 -9.810 0.410 3.058 667 HG13 VAL 87 HG13 VAL 87 -10.011 1.709 1.880 668 HG21 VAL 87 HG21 VAL 87 -8.231 1.947 4.274 669 HG22 VAL 87 HG22 VAL 87 -8.831 3.463 4.942 670 HG23 VAL 87 HG23 VAL 87 -8.557 3.311 3.207 671 H ALA 88 HN ALA 88 -10.053 5.684 3.754 672 HA ALA 88 HA ALA 88 -10.169 6.162 0.876 673 HB1 ALA 88 HB1 ALA 88 -10.842 8.005 2.316 674 HB2 ALA 88 HB2 ALA 88 -9.379 8.415 1.416 675 HB3 ALA 88 HB3 ALA 88 -9.270 7.965 3.118 676 H ILE 89 HN ILE 89 -8.524 5.527 -0.320 677 HA ILE 89 HA ILE 89 -5.879 5.286 0.956 678 HB ILE 89 HB ILE 89 -6.844 3.712 -1.425 679 HG12 ILE 89 HG12 ILE 89 -7.226 3.276 1.473 680 HG13 ILE 89 HG11 ILE 89 -8.142 2.681 0.103 681 HG21 ILE 89 HG21 ILE 89 -4.903 2.449 -1.217 682 HG22 ILE 89 HG22 ILE 89 -4.558 3.081 0.390 683 HG23 ILE 89 HG23 ILE 89 -4.372 4.122 -1.023 684 HD11 ILE 89 HD11 ILE 89 -7.180 0.837 1.298 685 HD12 ILE 89 HD12 ILE 89 -5.569 1.540 1.143 686 HD13 ILE 89 HD13 ILE 89 -6.425 0.969 -0.290 687 H SER 90 HN SER 90 -4.650 6.947 0.353 688 HA SER 90 HA SER 90 -5.032 8.307 -2.153 689 HB2 SER 90 HB2 SER 90 -2.813 8.625 -0.116 690 HB3 SER 90 HB1 SER 90 -3.239 9.762 -1.392 691 HG SER 90 HG SER 90 -4.662 10.574 -0.103 692 H THR 91 HN THR 91 -4.298 7.479 -4.002 693 HA THR 91 HA THR 91 -1.897 5.804 -3.923 694 HB THR 91 HB THR 91 -2.751 5.082 -6.244 695 HG1 THR 91 HG1 THR 91 -5.014 5.384 -6.519 696 HG21 THR 91 HG21 THR 91 -4.507 3.569 -5.181 697 HG22 THR 91 HG22 THR 91 -4.153 4.408 -3.666 698 HG23 THR 91 HG23 THR 91 -2.882 3.504 -4.491 699 H THR 92 HN THR 92 -0.346 5.977 -5.571 700 HA THR 92 HA THR 92 -0.385 8.231 -7.387 701 HB THR 92 HB THR 92 0.533 9.365 -5.490 702 HG1 THR 92 HG1 THR 92 2.816 8.492 -6.947 703 HG21 THR 92 HG21 THR 92 1.035 7.353 -4.147 704 HG22 THR 92 HG22 THR 92 2.355 8.526 -4.135 705 HG23 THR 92 HG23 THR 92 2.470 7.076 -5.135 706 HA PRO 93 HA PRO 93 1.733 5.367 -10.076 707 HB2 PRO 93 HB2 PRO 93 3.776 7.503 -10.433 708 HB3 PRO 93 HB1 PRO 93 2.935 6.553 -11.655 709 HG2 PRO 93 HG2 PRO 93 2.213 9.070 -11.175 710 HG3 PRO 93 HG1 PRO 93 0.993 7.825 -11.502 711 HD2 PRO 93 HD2 PRO 93 1.724 9.132 -8.928 712 HD3 PRO 93 HD1 PRO 93 0.157 8.503 -9.475 713 H LEU 94 HN LEU 94 3.433 3.968 -10.111 714 HA LEU 94 HA LEU 94 5.322 4.169 -7.870 715 HB2 LEU 94 HB2 LEU 94 4.024 2.195 -7.610 716 HB3 LEU 94 HB1 LEU 94 4.159 1.791 -9.311 717 HG LEU 94 HG LEU 94 6.580 1.308 -8.973 718 HD11 LEU 94 HD11 LEU 94 5.950 1.642 -6.046 719 HD12 LEU 94 HD12 LEU 94 6.944 2.732 -7.009 720 HD13 LEU 94 HD13 LEU 94 7.470 1.071 -6.733 721 HD21 LEU 94 HD21 LEU 94 6.249 -0.817 -7.840 722 HD22 LEU 94 HD22 LEU 94 4.882 -0.470 -8.902 723 HD23 LEU 94 HD23 LEU 94 4.727 -0.238 -7.161 724 H GLU 95 HN GLU 95 6.374 5.696 -9.424 725 HA GLU 95 HA GLU 95 7.860 4.377 -11.546 726 HB2 GLU 95 HB2 GLU 95 7.908 7.252 -10.685 727 HB3 GLU 95 HB1 GLU 95 8.646 6.600 -12.131 728 HG2 GLU 95 HG2 GLU 95 5.684 6.596 -11.563 729 HG3 GLU 95 HG1 GLU 95 6.525 7.756 -12.597 730 H ASN 96 HN ASN 96 9.763 3.610 -11.234 731 HA ASN 96 HA ASN 96 11.702 4.773 -9.479 732 HB2 ASN 96 HB2 ASN 96 10.064 3.206 -8.092 733 HB3 ASN 96 HB1 ASN 96 11.061 1.932 -8.785 734 HD21 ASN 96 HD21 ASN 96 13.521 3.340 -8.804 735 HD22 ASN 96 HD22 ASN 96 14.023 3.519 -7.155 736 H2 PRO 97 HT1 PRO 97 10.136 -6.450 -12.578 737 H3 PRO 97 HT2 PRO 97 9.990 -8.073 -12.494 738 HA PRO 97 HA PRO 97 11.818 -8.357 -11.460 739 HB2 PRO 97 HB2 PRO 97 13.670 -6.404 -12.314 740 HB3 PRO 97 HB1 PRO 97 13.635 -8.114 -12.772 741 HG2 PRO 97 HG2 PRO 97 12.533 -5.753 -14.199 742 HG3 PRO 97 HG1 PRO 97 13.206 -7.254 -14.857 743 HD2 PRO 97 HD2 PRO 97 10.575 -6.826 -14.886 744 HD3 PRO 97 HD1 PRO 97 11.223 -8.435 -14.524 745 H PHE 98 HN PHE 98 13.021 -7.260 -9.708 746 HA PHE 98 HA PHE 98 12.088 -4.565 -9.100 747 HB2 PHE 98 HB2 PHE 98 11.191 -6.988 -7.735 748 HB3 PHE 98 HB1 PHE 98 11.898 -5.811 -6.631 749 HD1 PHE 98 HD2 PHE 98 10.992 -3.432 -6.693 750 HD2 PHE 98 HD1 PHE 98 9.022 -6.732 -8.521 751 HE1 PHE 98 HE2 PHE 98 8.886 -2.161 -6.700 752 HE2 PHE 98 HE1 PHE 98 6.912 -5.466 -8.534 753 HZ PHE 98 HZ PHE 98 6.852 -3.162 -7.636 754 H ASP 99 HN ASP 99 13.071 -4.178 -6.659 755 HA ASP 99 HA ASP 99 15.935 -4.323 -7.114 756 HB2 ASP 99 HB2 ASP 99 14.468 -2.278 -6.289 757 HB3 ASP 99 HB1 ASP 99 14.736 -3.012 -4.711 758 H GLU 100 HN GLU 100 16.429 -4.070 -4.172 759 HA GLU 100 HA GLU 100 16.758 -6.879 -3.636 760 HB2 GLU 100 HB2 GLU 100 17.351 -4.469 -1.909 761 HB3 GLU 100 HB1 GLU 100 17.862 -6.116 -1.570 762 HG2 GLU 100 HG2 GLU 100 18.683 -4.480 -3.956 763 HG3 GLU 100 HG1 GLU 100 19.662 -4.781 -2.522 764 H ASP 101 HN ASP 101 14.387 -7.212 -3.758 765 HA ASP 101 HA ASP 101 12.849 -6.364 -1.453 766 HB2 ASP 101 HB2 ASP 101 10.951 -7.330 -2.571 767 HB3 ASP 101 HB1 ASP 101 11.877 -6.413 -3.752 768 H GLN 102 HN GLN 102 15.052 -8.061 -0.824 769 HA GLN 102 HA GLN 102 14.361 -10.764 -0.522 770 HB2 GLN 102 HB2 GLN 102 16.210 -9.004 1.085 771 HB3 GLN 102 HB1 GLN 102 16.037 -10.727 1.388 772 HG2 GLN 102 HG2 GLN 102 17.842 -10.758 0.021 773 HG3 GLN 102 HG1 GLN 102 16.566 -10.880 -1.187 774 HE21 GLN 102 HE21 GLN 102 17.782 -9.976 -2.807 775 HE22 GLN 102 HE22 GLN 102 18.216 -8.303 -2.832 776 H HIS 103 HN HIS 103 14.048 -8.074 1.775 777 HA HIS 103 HA HIS 103 12.369 -9.725 3.494 778 HB2 HIS 103 HB2 HIS 103 13.580 -6.979 3.814 779 HB3 HIS 103 HB1 HIS 103 12.366 -7.595 4.928 780 HD2 HIS 103 HD2 HIS 103 16.124 -7.901 4.183 781 HE1 HIS 103 HE1 HIS 103 15.178 -10.557 7.338 782 HE2 HIS 103 HE2 HIS 103 17.038 -9.623 5.896 783 H THR 104 HN THR 104 10.630 -9.915 2.007 784 HA THR 104 HA THR 104 9.109 -7.439 1.569 785 HB THR 104 HB THR 104 7.912 -9.385 0.013 786 HG1 THR 104 HG1 THR 104 10.692 -9.631 -0.487 787 HG21 THR 104 HG21 THR 104 8.299 -7.114 -0.704 788 HG22 THR 104 HG22 THR 104 9.033 -8.211 -1.873 789 HG23 THR 104 HG23 THR 104 10.045 -7.369 -0.697 790 H GLN 105 HN GLN 105 6.921 -7.363 2.030 791 HA GLN 105 HA GLN 105 5.894 -9.581 3.675 792 HB2 GLN 105 HB2 GLN 105 6.274 -6.850 4.377 793 HB3 GLN 105 HB1 GLN 105 4.542 -7.134 4.284 794 HG2 GLN 105 HG2 GLN 105 6.508 -8.689 5.946 795 HG3 GLN 105 HG1 GLN 105 5.371 -7.478 6.534 796 HE21 GLN 105 HE21 GLN 105 5.787 -10.716 5.425 797 HE22 GLN 105 HE22 GLN 105 4.196 -11.280 5.804 798 H ILE 106 HN ILE 106 3.750 -10.173 3.361 799 HA ILE 106 HA ILE 106 2.269 -8.801 1.227 800 HB ILE 106 HB ILE 106 2.739 -11.773 1.364 801 HG12 ILE 106 HG12 ILE 106 3.587 -9.883 -0.825 802 HG13 ILE 106 HG11 ILE 106 4.644 -10.361 0.499 803 HG21 ILE 106 HG21 ILE 106 1.413 -11.964 -0.637 804 HG22 ILE 106 HG22 ILE 106 1.215 -10.214 -0.714 805 HG23 ILE 106 HG23 ILE 106 0.468 -11.129 0.597 806 HD11 ILE 106 HD11 ILE 106 3.429 -12.169 -1.571 807 HD12 ILE 106 HD12 ILE 106 4.397 -12.713 -0.200 808 HD13 ILE 106 HD13 ILE 106 5.121 -11.689 -1.443 809 H THR 107 HN THR 107 0.267 -8.352 1.971 810 HA THR 107 HA THR 107 -1.162 -10.361 3.520 811 HB THR 107 HB THR 107 -0.884 -7.545 4.590 812 HG1 THR 107 HG1 THR 107 1.061 -8.456 5.027 813 HG21 THR 107 HG21 THR 107 -2.062 -10.031 5.831 814 HG22 THR 107 HG22 THR 107 -2.983 -8.686 5.159 815 HG23 THR 107 HG23 THR 107 -1.967 -8.436 6.579 816 H LYS 108 HN LYS 108 -3.109 -10.530 2.594 817 HA LYS 108 HA LYS 108 -4.212 -8.395 1.012 818 HB2 LYS 108 HB2 LYS 108 -5.402 -11.037 1.902 819 HB3 LYS 108 HB1 LYS 108 -6.196 -9.910 0.814 820 HG2 LYS 108 HG2 LYS 108 -4.203 -10.149 -0.705 821 HG3 LYS 108 HG1 LYS 108 -3.686 -11.484 0.323 822 HD2 LYS 108 HD2 LYS 108 -4.870 -12.582 -1.340 823 HD3 LYS 108 HD1 LYS 108 -6.093 -12.380 -0.084 824 HE2 LYS 108 HE2 LYS 108 -7.000 -10.453 -1.222 825 HE3 LYS 108 HE1 LYS 108 -5.719 -10.519 -2.430 826 HZ1 LYS 108 HZ1 LYS 108 -7.916 -12.461 -2.015 827 HZ2 LYS 108 HZ2 LYS 108 -6.580 -12.781 -2.999 828 HZ3 LYS 108 HZ3 LYS 108 -7.626 -11.505 -3.384 829 H VAL 109 HN VAL 109 -5.919 -7.014 1.623 830 HA VAL 109 HA VAL 109 -6.627 -7.185 4.462 831 HB VAL 109 HB VAL 109 -4.991 -5.434 4.137 832 HG11 VAL 109 HG11 VAL 109 -5.402 -3.516 2.698 833 HG12 VAL 109 HG12 VAL 109 -6.907 -4.246 2.140 834 HG13 VAL 109 HG13 VAL 109 -5.363 -5.018 1.766 835 HG21 VAL 109 HG21 VAL 109 -6.512 -4.928 5.853 836 HG22 VAL 109 HG22 VAL 109 -7.785 -4.503 4.714 837 HG23 VAL 109 HG23 VAL 109 -6.382 -3.452 4.897 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 5.490 19.444 -2.666 2 H2 GLY 1 HT2 GLY 1 5.558 19.842 -4.304 3 H3 GLY 1 HT3 GLY 1 5.501 18.222 -3.830 4 HA2 GLY 1 HA1 GLY 1 3.334 20.163 -3.298 5 HA3 GLY 1 HA2 GLY 1 3.364 19.092 -4.694 6 H GLY 2 HN GLY 2 1.702 19.361 -2.096 7 HA2 GLY 2 HA2 GLY 2 2.080 16.657 -1.018 8 HA3 GLY 2 HA1 GLY 2 1.076 17.921 -0.319 9 H SER 3 HN SER 3 -0.938 18.431 -1.363 10 HA SER 3 HA SER 3 -2.320 16.093 -2.224 11 HB2 SER 3 HB2 SER 3 -3.408 18.891 -2.440 12 HB3 SER 3 HB1 SER 3 -4.266 17.397 -2.061 13 HG SER 3 HG SER 3 -2.903 17.377 -0.095 14 H MET 4 HN MET 4 -2.171 15.303 -4.209 15 HA MET 4 HA MET 4 -2.531 17.009 -6.513 16 HB2 MET 4 HB2 MET 4 -0.157 17.251 -6.297 17 HB3 MET 4 HB1 MET 4 0.053 15.528 -6.025 18 HG2 MET 4 HG2 MET 4 0.778 16.016 -8.232 19 HG3 MET 4 HG1 MET 4 -0.739 15.129 -8.347 20 HE1 MET 4 HE1 MET 4 -1.161 15.801 -10.826 21 HE2 MET 4 HE2 MET 4 0.391 16.637 -10.851 22 HE3 MET 4 HE3 MET 4 -1.059 17.450 -11.440 23 H ARG 5 HN ARG 5 -1.720 13.789 -5.300 24 HA ARG 5 HA ARG 5 -2.980 12.543 -7.610 25 HB2 ARG 5 HB2 ARG 5 -1.326 11.547 -5.323 26 HB3 ARG 5 HB1 ARG 5 -2.288 10.419 -6.264 27 HG2 ARG 5 HG2 ARG 5 -0.203 10.327 -7.267 28 HG3 ARG 5 HG1 ARG 5 -1.101 11.435 -8.305 29 HD2 ARG 5 HD2 ARG 5 -0.098 13.323 -6.996 30 HD3 ARG 5 HD1 ARG 5 0.928 12.134 -6.189 31 HE ARG 5 HE ARG 5 1.037 12.040 -9.067 32 HH11 ARG 5 HH11 ARG 5 2.392 13.535 -6.200 33 HH12 ARG 5 HH12 ARG 5 3.905 13.905 -6.964 34 HH21 ARG 5 HH21 ARG 5 3.025 12.521 -10.055 35 HH22 ARG 5 HH22 ARG 5 4.276 13.306 -9.143 36 HA PRO 6 HA PRO 6 -6.827 12.324 -5.324 37 HB2 PRO 6 HB2 PRO 6 -8.212 10.936 -7.209 38 HB3 PRO 6 HB1 PRO 6 -7.890 12.663 -7.330 39 HG2 PRO 6 HG2 PRO 6 -6.463 10.374 -8.603 40 HG3 PRO 6 HG1 PRO 6 -6.992 11.908 -9.299 41 HD2 PRO 6 HD2 PRO 6 -4.443 11.489 -8.543 42 HD3 PRO 6 HD1 PRO 6 -5.208 13.084 -8.411 43 HA PRO 7 HA PRO 7 -5.924 8.351 -3.449 44 HB2 PRO 7 HB2 PRO 7 -8.411 8.875 -1.958 45 HB3 PRO 7 HB1 PRO 7 -6.779 8.568 -1.358 46 HG2 PRO 7 HG2 PRO 7 -7.887 11.002 -1.243 47 HG3 PRO 7 HG1 PRO 7 -6.151 10.776 -1.539 48 HD2 PRO 7 HD2 PRO 7 -8.333 11.451 -3.470 49 HD3 PRO 7 HD1 PRO 7 -6.657 12.039 -3.408 50 H ILE 8 HN ILE 8 -6.751 6.316 -3.390 51 HA ILE 8 HA ILE 8 -8.903 5.737 -5.266 52 HB ILE 8 HB ILE 8 -7.012 3.859 -3.855 53 HG12 ILE 8 HG12 ILE 8 -5.956 5.582 -5.413 54 HG13 ILE 8 HG11 ILE 8 -5.605 3.893 -5.745 55 HG21 ILE 8 HG21 ILE 8 -7.656 2.294 -5.674 56 HG22 ILE 8 HG22 ILE 8 -8.888 3.457 -6.169 57 HG23 ILE 8 HG23 ILE 8 -8.973 2.707 -4.577 58 HD11 ILE 8 HD11 ILE 8 -7.580 5.625 -7.204 59 HD12 ILE 8 HD12 ILE 8 -7.316 3.905 -7.508 60 HD13 ILE 8 HD13 ILE 8 -6.017 5.065 -7.800 61 H ILE 9 HN ILE 9 -10.727 6.282 -3.973 62 HA ILE 9 HA ILE 9 -11.083 5.310 -1.336 63 HB ILE 9 HB ILE 9 -13.018 6.430 -3.358 64 HG12 ILE 9 HG12 ILE 9 -13.019 8.383 -2.107 65 HG13 ILE 9 HG11 ILE 9 -12.325 7.617 -0.700 66 HG21 ILE 9 HG21 ILE 9 -14.526 6.623 -1.269 67 HG22 ILE 9 HG22 ILE 9 -13.539 5.294 -0.650 68 HG23 ILE 9 HG23 ILE 9 -14.456 5.090 -2.143 69 HD11 ILE 9 HD11 ILE 9 -10.196 7.419 -2.035 70 HD12 ILE 9 HD12 ILE 9 -10.684 9.053 -1.590 71 HD13 ILE 9 HD13 ILE 9 -10.959 8.465 -3.231 72 H ILE 10 HN ILE 10 -10.842 3.143 -1.188 73 HA ILE 10 HA ILE 10 -12.361 1.364 -2.909 74 HB ILE 10 HB ILE 10 -10.467 0.699 -0.657 75 HG12 ILE 10 HG12 ILE 10 -9.882 0.603 -3.605 76 HG13 ILE 10 HG11 ILE 10 -9.551 2.032 -2.639 77 HG21 ILE 10 HG21 ILE 10 -11.862 -1.175 -1.108 78 HG22 ILE 10 HG22 ILE 10 -10.326 -1.483 -1.922 79 HG23 ILE 10 HG23 ILE 10 -11.722 -0.938 -2.850 80 HD11 ILE 10 HD11 ILE 10 -8.052 0.710 -1.228 81 HD12 ILE 10 HD12 ILE 10 -7.560 0.694 -2.923 82 HD13 ILE 10 HD13 ILE 10 -8.380 -0.705 -2.231 83 H HIS 11 HN HIS 11 -14.221 0.521 -2.363 84 HA HIS 11 HA HIS 11 -15.337 1.022 0.251 85 HB2 HIS 11 HB2 HIS 11 -16.377 -0.182 -2.301 86 HB3 HIS 11 HB1 HIS 11 -17.306 -0.254 -0.806 87 HD2 HIS 11 HD2 HIS 11 -15.706 3.036 -0.693 88 HE1 HIS 11 HE1 HIS 11 -19.276 3.640 -2.867 89 HE2 HIS 11 HE2 HIS 11 -17.502 4.751 -1.441 90 H ARG 12 HN ARG 12 -15.988 -0.574 1.709 91 HA ARG 12 HA ARG 12 -14.296 -2.838 1.881 92 HB2 ARG 12 HB2 ARG 12 -15.538 -3.280 3.937 93 HB3 ARG 12 HB1 ARG 12 -15.138 -1.577 3.820 94 HG2 ARG 12 HG2 ARG 12 -17.360 -1.007 3.240 95 HG3 ARG 12 HG1 ARG 12 -17.801 -2.703 3.013 96 HD2 ARG 12 HD2 ARG 12 -17.291 -3.085 5.393 97 HD3 ARG 12 HD1 ARG 12 -17.036 -1.362 5.594 98 HE ARG 12 HE ARG 12 -19.601 -2.077 4.483 99 HH11 ARG 12 HH11 ARG 12 -17.778 -1.472 7.415 100 HH12 ARG 12 HH12 ARG 12 -19.185 -1.100 8.360 101 HH21 ARG 12 HH21 ARG 12 -21.454 -1.606 5.741 102 HH22 ARG 12 HH22 ARG 12 -21.267 -1.193 7.416 103 H ALA 13 HN ALA 13 -14.746 -5.001 1.571 104 HA ALA 13 HA ALA 13 -17.156 -5.567 -0.006 105 HB1 ALA 13 HB1 ALA 13 -14.528 -7.000 0.287 106 HB2 ALA 13 HB2 ALA 13 -15.238 -6.284 -1.161 107 HB3 ALA 13 HB3 ALA 13 -15.931 -7.752 -0.473 108 H GLY 14 HN GLY 14 -16.007 -5.789 3.102 109 HA2 GLY 14 HA2 GLY 14 -17.850 -6.592 4.638 110 HA3 GLY 14 HA1 GLY 14 -17.743 -8.090 3.723 111 H LYS 15 HN LYS 15 -14.993 -8.256 3.423 112 HA LYS 15 HA LYS 15 -13.989 -8.359 6.175 113 HB2 LYS 15 HB2 LYS 15 -14.277 -10.601 4.240 114 HB3 LYS 15 HB1 LYS 15 -12.841 -10.573 5.248 115 HG2 LYS 15 HG2 LYS 15 -15.630 -10.419 6.329 116 HG3 LYS 15 HG1 LYS 15 -14.722 -11.917 6.149 117 HD2 LYS 15 HD2 LYS 15 -13.016 -11.109 7.645 118 HD3 LYS 15 HD1 LYS 15 -13.825 -9.547 7.780 119 HE2 LYS 15 HE2 LYS 15 -15.718 -10.577 8.868 120 HE3 LYS 15 HE1 LYS 15 -15.031 -12.181 8.613 121 HZ1 LYS 15 HZ1 LYS 15 -14.511 -11.658 10.804 122 HZ2 LYS 15 HZ2 LYS 15 -14.101 -10.061 10.444 123 HZ3 LYS 15 HZ3 LYS 15 -13.080 -11.321 9.971 124 H LYS 16 HN LYS 16 -13.274 -8.342 2.731 125 HA LYS 16 HA LYS 16 -10.694 -7.103 3.362 126 HB2 LYS 16 HB2 LYS 16 -11.161 -9.221 1.261 127 HB3 LYS 16 HB1 LYS 16 -9.662 -8.338 1.482 128 HG2 LYS 16 HG2 LYS 16 -10.317 -9.404 3.989 129 HG3 LYS 16 HG1 LYS 16 -10.577 -10.690 2.808 130 HD2 LYS 16 HD2 LYS 16 -8.134 -9.138 2.392 131 HD3 LYS 16 HD1 LYS 16 -8.174 -10.033 3.910 132 HE2 LYS 16 HE2 LYS 16 -7.167 -11.355 2.121 133 HE3 LYS 16 HE1 LYS 16 -8.661 -12.086 2.699 134 HZ1 LYS 16 HZ1 LYS 16 -9.801 -11.107 0.786 135 HZ2 LYS 16 HZ2 LYS 16 -8.575 -12.162 0.315 136 HZ3 LYS 16 HZ3 LYS 16 -8.334 -10.491 0.215 137 H TYR 17 HN TYR 17 -9.760 -5.962 1.377 138 HA TYR 17 HA TYR 17 -11.946 -4.463 0.127 139 HB2 TYR 17 HB2 TYR 17 -8.981 -3.868 0.205 140 HB3 TYR 17 HB1 TYR 17 -10.216 -2.821 -0.485 141 HD1 TYR 17 HD1 TYR 17 -11.847 -1.683 0.991 142 HD2 TYR 17 HD2 TYR 17 -8.646 -3.998 2.544 143 HE1 TYR 17 HE1 TYR 17 -12.182 -0.647 3.197 144 HE2 TYR 17 HE2 TYR 17 -8.960 -2.995 4.747 145 HH TYR 17 HH TYR 17 -9.937 -0.862 5.683 146 H GLY 18 HN GLY 18 -9.857 -6.980 -0.608 147 HA2 GLY 18 HA2 GLY 18 -10.128 -8.195 -2.631 148 HA3 GLY 18 HA1 GLY 18 -10.598 -6.704 -3.416 149 H PHE 19 HN PHE 19 -7.867 -6.154 -1.551 150 HA PHE 19 HA PHE 19 -6.184 -6.839 -3.846 151 HB2 PHE 19 HB2 PHE 19 -4.996 -4.808 -3.825 152 HB3 PHE 19 HB1 PHE 19 -6.689 -4.407 -3.834 153 HD1 PHE 19 HD1 PHE 19 -7.739 -3.420 -1.810 154 HD2 PHE 19 HD2 PHE 19 -3.565 -4.226 -2.036 155 HE1 PHE 19 HE1 PHE 19 -7.342 -1.901 0.091 156 HE2 PHE 19 HE2 PHE 19 -3.162 -2.727 -0.131 157 HZ PHE 19 HZ PHE 19 -5.056 -1.557 0.933 158 H THR 20 HN THR 20 -3.923 -6.727 -3.440 159 HA THR 20 HA THR 20 -3.287 -7.939 -0.816 160 HB THR 20 HB THR 20 -1.842 -8.284 -3.436 161 HG1 THR 20 HG1 THR 20 -3.948 -9.284 -3.309 162 HG21 THR 20 HG21 THR 20 -0.760 -10.219 -2.214 163 HG22 THR 20 HG22 THR 20 -1.434 -9.554 -0.727 164 HG23 THR 20 HG23 THR 20 -0.261 -8.617 -1.661 165 H LEU 21 HN LEU 21 -2.012 -6.794 0.473 166 HA LEU 21 HA LEU 21 -0.492 -4.595 -0.703 167 HB2 LEU 21 HB2 LEU 21 -2.023 -4.106 1.186 168 HB3 LEU 21 HB1 LEU 21 -1.101 -5.199 2.193 169 HG LEU 21 HG LEU 21 0.851 -3.747 2.038 170 HD11 LEU 21 HD11 LEU 21 -0.911 -2.066 0.268 171 HD12 LEU 21 HD12 LEU 21 0.609 -2.850 -0.162 172 HD13 LEU 21 HD13 LEU 21 0.603 -1.509 0.982 173 HD21 LEU 21 HD21 LEU 21 -1.703 -2.344 2.803 174 HD22 LEU 21 HD22 LEU 21 -0.084 -1.787 3.226 175 HD23 LEU 21 HD23 LEU 21 -0.673 -3.330 3.841 176 H ARG 22 HN ARG 22 1.595 -4.894 -1.071 177 HA ARG 22 HA ARG 22 2.936 -7.018 0.452 178 HB2 ARG 22 HB2 ARG 22 3.163 -6.224 -2.429 179 HB3 ARG 22 HB1 ARG 22 4.490 -7.043 -1.629 180 HG2 ARG 22 HG2 ARG 22 2.430 -8.660 -0.948 181 HG3 ARG 22 HG1 ARG 22 1.883 -8.052 -2.503 182 HD2 ARG 22 HD2 ARG 22 3.271 -10.163 -2.573 183 HD3 ARG 22 HD1 ARG 22 3.777 -8.856 -3.636 184 HE ARG 22 HE ARG 22 5.087 -9.163 -1.027 185 HH11 ARG 22 HH11 ARG 22 5.268 -9.349 -4.524 186 HH12 ARG 22 HH12 ARG 22 6.997 -9.449 -4.555 187 HH21 ARG 22 HH21 ARG 22 7.374 -9.325 -1.074 188 HH22 ARG 22 HH22 ARG 22 8.201 -9.429 -2.603 189 H ALA 23 HN ALA 23 4.303 -6.304 1.835 190 HA ALA 23 HA ALA 23 5.385 -3.638 1.750 191 HB1 ALA 23 HB1 ALA 23 6.613 -4.607 3.833 192 HB2 ALA 23 HB2 ALA 23 5.495 -5.961 3.627 193 HB3 ALA 23 HB3 ALA 23 4.871 -4.334 3.904 194 H ILE 24 HN ILE 24 6.695 -3.623 -0.094 195 HA ILE 24 HA ILE 24 8.744 -5.617 -0.442 196 HB ILE 24 HB ILE 24 9.482 -4.183 -2.363 197 HG12 ILE 24 HG12 ILE 24 6.894 -2.682 -2.011 198 HG13 ILE 24 HG11 ILE 24 8.390 -2.083 -1.301 199 HG21 ILE 24 HG21 ILE 24 7.581 -4.795 -3.776 200 HG22 ILE 24 HG22 ILE 24 6.599 -5.066 -2.335 201 HG23 ILE 24 HG23 ILE 24 8.000 -6.091 -2.652 202 HD11 ILE 24 HD11 ILE 24 9.412 -2.017 -3.517 203 HD12 ILE 24 HD12 ILE 24 7.948 -1.035 -3.443 204 HD13 ILE 24 HD13 ILE 24 7.910 -2.616 -4.225 205 H ARG 25 HN ARG 25 10.835 -5.495 0.078 206 HA ARG 25 HA ARG 25 11.729 -3.054 1.445 207 HB2 ARG 25 HB2 ARG 25 12.395 -5.951 1.828 208 HB3 ARG 25 HB1 ARG 25 13.550 -4.718 2.315 209 HG2 ARG 25 HG2 ARG 25 11.818 -3.703 3.750 210 HG3 ARG 25 HG1 ARG 25 10.723 -5.014 3.311 211 HD2 ARG 25 HD2 ARG 25 11.943 -6.597 4.478 212 HD3 ARG 25 HD1 ARG 25 13.419 -5.636 4.436 213 HE ARG 25 HE ARG 25 12.196 -4.112 6.035 214 HH11 ARG 25 HH11 ARG 25 11.468 -7.530 5.850 215 HH12 ARG 25 HH12 ARG 25 10.999 -7.640 7.517 216 HH21 ARG 25 HH21 ARG 25 11.600 -4.257 8.230 217 HH22 ARG 25 HH22 ARG 25 11.083 -5.789 8.870 218 H VAL 26 HN VAL 26 12.850 -1.815 0.154 219 HA VAL 26 HA VAL 26 14.669 -3.040 -1.814 220 HB VAL 26 HB VAL 26 13.427 -0.279 -1.785 221 HG11 VAL 26 HG11 VAL 26 15.216 -1.562 -3.846 222 HG12 VAL 26 HG12 VAL 26 15.645 -0.225 -2.776 223 HG13 VAL 26 HG13 VAL 26 14.404 -0.004 -4.010 224 HG21 VAL 26 HG21 VAL 26 12.195 -1.041 -3.756 225 HG22 VAL 26 HG22 VAL 26 11.821 -2.017 -2.334 226 HG23 VAL 26 HG23 VAL 26 12.909 -2.642 -3.571 227 H TYR 27 HN TYR 27 16.782 -2.905 -1.302 228 HA TYR 27 HA TYR 27 17.636 -1.416 0.946 229 HB2 TYR 27 HB2 TYR 27 18.969 -3.074 -1.100 230 HB3 TYR 27 HB1 TYR 27 19.967 -1.930 -0.232 231 HD1 TYR 27 HD2 TYR 27 17.754 -4.856 0.158 232 HD2 TYR 27 HD1 TYR 27 20.583 -2.296 2.029 233 HE1 TYR 27 HE2 TYR 27 17.905 -6.419 2.049 234 HE2 TYR 27 HE1 TYR 27 20.744 -3.850 3.924 235 HH TYR 27 HH TYR 27 19.520 -7.003 3.832 236 H MET 28 HN MET 28 18.826 0.400 1.100 237 HA MET 28 HA MET 28 18.273 2.447 -0.754 238 HB2 MET 28 HB2 MET 28 19.792 2.202 1.791 239 HB3 MET 28 HB1 MET 28 20.121 3.592 0.783 240 HG2 MET 28 HG2 MET 28 17.386 2.803 1.737 241 HG3 MET 28 HG1 MET 28 18.425 3.974 2.537 242 HE1 MET 28 HE1 MET 28 19.731 5.715 0.191 243 HE2 MET 28 HE2 MET 28 19.027 6.252 1.713 244 HE3 MET 28 HE3 MET 28 18.516 6.993 0.199 245 H GLY 29 HN GLY 29 20.774 0.127 -0.574 246 HA2 GLY 29 HA2 GLY 29 22.355 -0.332 -2.212 247 HA3 GLY 29 HA1 GLY 29 21.982 1.207 -2.968 248 H ASP 30 HN ASP 30 22.544 3.068 -1.144 249 HA ASP 30 HA ASP 30 25.436 2.899 -0.977 250 HB2 ASP 30 HB2 ASP 30 25.376 5.252 -0.488 251 HB3 ASP 30 HB1 ASP 30 24.228 4.946 -1.788 252 H SER 31 HN SER 31 23.401 1.493 0.899 253 HA SER 31 HA SER 31 24.986 1.751 3.259 254 HB2 SER 31 HB2 SER 31 23.566 3.748 3.483 255 HB3 SER 31 HB1 SER 31 22.128 2.745 3.332 256 HG SER 31 HG SER 31 24.072 2.635 5.405 257 H ASP 32 HN ASP 32 23.706 0.552 5.130 258 HA ASP 32 HA ASP 32 23.020 -2.067 4.027 259 HB2 ASP 32 HB2 ASP 32 24.698 -1.829 5.881 260 HB3 ASP 32 HB1 ASP 32 23.407 -1.246 6.918 261 H VAL 33 HN VAL 33 21.632 0.725 5.207 262 HA VAL 33 HA VAL 33 19.286 -0.345 6.395 263 HB VAL 33 HB VAL 33 19.998 1.901 6.940 264 HG11 VAL 33 HG11 VAL 33 19.636 3.728 5.233 265 HG12 VAL 33 HG12 VAL 33 19.560 2.446 4.024 266 HG13 VAL 33 HG13 VAL 33 21.030 2.682 4.970 267 HG21 VAL 33 HG21 VAL 33 17.590 1.328 7.021 268 HG22 VAL 33 HG22 VAL 33 17.414 2.074 5.431 269 HG23 VAL 33 HG23 VAL 33 17.917 3.047 6.813 270 H TYR 34 HN TYR 34 17.230 -0.450 5.579 271 HA TYR 34 HA TYR 34 17.093 -0.686 2.652 272 HB2 TYR 34 HB2 TYR 34 15.287 -2.273 2.925 273 HB3 TYR 34 HB1 TYR 34 16.683 -2.807 3.839 274 HD1 TYR 34 HD2 TYR 34 13.253 -1.546 4.040 275 HD2 TYR 34 HD1 TYR 34 16.622 -2.850 6.284 276 HE1 TYR 34 HE2 TYR 34 11.838 -1.771 6.035 277 HE2 TYR 34 HE1 TYR 34 15.207 -3.082 8.280 278 HH TYR 34 HH TYR 34 12.818 -1.890 9.012 279 H THR 35 HN THR 35 14.879 -0.428 1.828 280 HA THR 35 HA THR 35 13.485 1.813 3.120 281 HB THR 35 HB THR 35 13.463 1.700 0.160 282 HG1 THR 35 HG1 THR 35 15.619 1.348 0.363 283 HG21 THR 35 HG21 THR 35 12.463 3.466 1.788 284 HG22 THR 35 HG22 THR 35 13.285 4.017 0.327 285 HG23 THR 35 HG23 THR 35 14.122 4.065 1.880 286 H VAL 36 HN VAL 36 11.738 0.698 3.855 287 HA VAL 36 HA VAL 36 10.503 -1.322 2.188 288 HB VAL 36 HB VAL 36 10.640 -1.836 4.530 289 HG11 VAL 36 HG11 VAL 36 9.472 -0.568 6.247 290 HG12 VAL 36 HG12 VAL 36 8.965 0.615 5.042 291 HG13 VAL 36 HG13 VAL 36 10.674 0.428 5.431 292 HG21 VAL 36 HG21 VAL 36 8.284 -2.339 5.025 293 HG22 VAL 36 HG22 VAL 36 8.720 -2.729 3.362 294 HG23 VAL 36 HG23 VAL 36 7.795 -1.269 3.712 295 H HIS 37 HN HIS 37 8.962 -0.985 0.822 296 HA HIS 37 HA HIS 37 7.354 1.468 1.057 297 HB2 HIS 37 HB2 HIS 37 8.180 -0.091 -1.389 298 HB3 HIS 37 HB1 HIS 37 7.004 1.206 -1.417 299 HD2 HIS 37 HD2 HIS 37 10.830 0.658 -1.226 300 HE1 HIS 37 HE1 HIS 37 10.074 4.814 -1.450 301 HE2 HIS 37 HE2 HIS 37 11.827 3.004 -1.709 302 H HIS 38 HN HIS 38 5.152 1.300 0.693 303 HA HIS 38 HA HIS 38 4.078 -1.413 0.999 304 HB2 HIS 38 HB2 HIS 38 2.754 1.252 1.587 305 HB3 HIS 38 HB1 HIS 38 2.056 -0.334 1.897 306 HD2 HIS 38 HD2 HIS 38 4.263 2.259 3.591 307 HE1 HIS 38 HE1 HIS 38 4.595 -1.305 5.840 308 HE2 HIS 38 HE2 HIS 38 5.290 1.122 5.681 309 H MET 39 HN MET 39 3.926 -2.131 -1.034 310 HA MET 39 HA MET 39 2.410 -0.484 -2.937 311 HB2 MET 39 HB2 MET 39 4.543 -0.747 -3.870 312 HB3 MET 39 HB1 MET 39 4.679 -2.414 -3.326 313 HG2 MET 39 HG2 MET 39 2.455 -2.043 -5.144 314 HG3 MET 39 HG1 MET 39 3.988 -1.550 -5.859 315 HE1 MET 39 HE1 MET 39 5.926 -4.688 -6.429 316 HE2 MET 39 HE2 MET 39 6.199 -3.176 -5.562 317 HE3 MET 39 HE3 MET 39 5.392 -3.159 -7.136 318 H VAL 40 HN VAL 40 0.639 -1.255 -3.836 319 HA VAL 40 HA VAL 40 -0.512 -3.691 -2.891 320 HB VAL 40 HB VAL 40 -2.176 -2.152 -3.315 321 HG11 VAL 40 HG11 VAL 40 -2.231 -0.711 -5.366 322 HG12 VAL 40 HG12 VAL 40 -0.616 -1.312 -5.744 323 HG13 VAL 40 HG13 VAL 40 -0.895 -0.402 -4.257 324 HG21 VAL 40 HG21 VAL 40 -1.903 -3.865 -5.753 325 HG22 VAL 40 HG22 VAL 40 -3.226 -2.705 -5.611 326 HG23 VAL 40 HG23 VAL 40 -3.048 -3.997 -4.419 327 H TRP 41 HN TRP 41 -0.158 -5.636 -3.708 328 HA TRP 41 HA TRP 41 1.458 -5.882 -6.119 329 HB2 TRP 41 HB2 TRP 41 2.170 -7.061 -4.121 330 HB3 TRP 41 HB1 TRP 41 0.614 -7.887 -4.022 331 HD1 TRP 41 HD1 TRP 41 0.394 -10.130 -5.317 332 HE1 TRP 41 HE1 TRP 41 1.958 -11.491 -6.847 333 HE3 TRP 41 HE3 TRP 41 4.097 -6.672 -5.941 334 HZ2 TRP 41 HZ2 TRP 41 4.442 -11.129 -8.151 335 HZ3 TRP 41 HZ3 TRP 41 6.029 -7.253 -7.346 336 HH2 TRP 41 HH2 TRP 41 6.198 -9.430 -8.424 337 H HIS 42 HN HIS 42 -1.758 -6.775 -5.004 338 HA HIS 42 HA HIS 42 -2.410 -7.372 -7.772 339 HB2 HIS 42 HB2 HIS 42 -1.739 -9.555 -6.737 340 HB3 HIS 42 HB1 HIS 42 -3.039 -9.363 -5.568 341 HD2 HIS 42 HD2 HIS 42 -2.509 -10.265 -9.311 342 HE1 HIS 42 HE1 HIS 42 -6.583 -10.862 -8.331 343 HE2 HIS 42 HE2 HIS 42 -4.807 -11.187 -10.104 344 H VAL 43 HN VAL 43 -4.529 -7.164 -8.283 345 HA VAL 43 HA VAL 43 -6.356 -6.219 -6.184 346 HB VAL 43 HB VAL 43 -6.032 -4.995 -8.938 347 HG11 VAL 43 HG11 VAL 43 -8.338 -4.963 -8.318 348 HG12 VAL 43 HG12 VAL 43 -7.688 -3.339 -8.097 349 HG13 VAL 43 HG13 VAL 43 -7.949 -4.382 -6.699 350 HG21 VAL 43 HG21 VAL 43 -4.268 -4.387 -7.258 351 HG22 VAL 43 HG22 VAL 43 -5.550 -3.688 -6.267 352 HG23 VAL 43 HG23 VAL 43 -5.213 -3.030 -7.868 353 H GLU 44 HN GLU 44 -7.964 -7.649 -6.113 354 HA GLU 44 HA GLU 44 -8.491 -9.672 -7.877 355 HB2 GLU 44 HB2 GLU 44 -10.215 -8.231 -5.881 356 HB3 GLU 44 HB1 GLU 44 -10.765 -9.631 -6.757 357 HG2 GLU 44 HG2 GLU 44 -8.340 -9.595 -5.001 358 HG3 GLU 44 HG1 GLU 44 -9.937 -10.134 -4.493 359 H ASP 45 HN ASP 45 -9.506 -9.859 -9.754 360 HA ASP 45 HA ASP 45 -10.296 -7.607 -11.259 361 HB2 ASP 45 HB2 ASP 45 -10.665 -10.572 -11.668 362 HB3 ASP 45 HB1 ASP 45 -11.282 -9.389 -12.816 363 H GLY 46 HN GLY 46 -12.053 -6.450 -10.993 364 HA2 GLY 46 HA2 GLY 46 -14.344 -6.017 -10.891 365 HA3 GLY 46 HA1 GLY 46 -14.630 -7.732 -10.625 366 H GLY 47 HN GLY 47 -12.200 -6.592 -8.634 367 HA2 GLY 47 HA2 GLY 47 -13.878 -6.845 -6.298 368 HA3 GLY 47 HA1 GLY 47 -12.141 -6.580 -6.319 369 HA PRO 48 HA PRO 48 -14.712 -2.700 -5.089 370 HB2 PRO 48 HB2 PRO 48 -12.861 -3.086 -2.788 371 HB3 PRO 48 HB1 PRO 48 -14.541 -2.537 -2.777 372 HG2 PRO 48 HG2 PRO 48 -14.003 -4.958 -1.994 373 HG3 PRO 48 HG1 PRO 48 -15.313 -4.707 -3.154 374 HD2 PRO 48 HD2 PRO 48 -12.517 -5.604 -3.690 375 HD3 PRO 48 HD1 PRO 48 -14.040 -6.291 -4.252 376 H ALA 49 HN ALA 49 -11.377 -3.477 -4.292 377 HA ALA 49 HA ALA 49 -10.360 -0.878 -4.581 378 HB1 ALA 49 HB1 ALA 49 -8.907 -3.497 -4.944 379 HB2 ALA 49 HB2 ALA 49 -9.110 -2.615 -3.430 380 HB3 ALA 49 HB3 ALA 49 -8.140 -1.923 -4.731 381 H SER 50 HN SER 50 -10.784 -3.433 -6.950 382 HA SER 50 HA SER 50 -9.364 -2.192 -9.058 383 HB2 SER 50 HB2 SER 50 -10.455 -4.630 -8.747 384 HB3 SER 50 HB1 SER 50 -11.750 -3.865 -9.666 385 HG SER 50 HG SER 50 -10.561 -4.078 -11.379 386 H GLU 51 HN GLU 51 -12.627 -2.037 -7.868 387 HA GLU 51 HA GLU 51 -13.679 -0.472 -10.011 388 HB2 GLU 51 HB2 GLU 51 -14.711 -0.843 -7.193 389 HB3 GLU 51 HB1 GLU 51 -15.612 -0.144 -8.532 390 HG2 GLU 51 HG2 GLU 51 -15.186 -2.380 -9.713 391 HG3 GLU 51 HG1 GLU 51 -14.775 -2.982 -8.110 392 H ALA 52 HN ALA 52 -12.065 0.168 -7.040 393 HA ALA 52 HA ALA 52 -12.713 2.955 -6.922 394 HB1 ALA 52 HB1 ALA 52 -10.530 1.457 -5.497 395 HB2 ALA 52 HB2 ALA 52 -12.197 1.573 -4.940 396 HB3 ALA 52 HB3 ALA 52 -11.206 3.025 -5.059 397 H GLY 53 HN GLY 53 -10.354 1.021 -8.505 398 HA2 GLY 53 HA2 GLY 53 -9.198 1.971 -10.387 399 HA3 GLY 53 HA1 GLY 53 -9.083 3.464 -9.483 400 H LEU 54 HN LEU 54 -8.413 0.861 -7.466 401 HA LEU 54 HA LEU 54 -5.698 1.625 -7.182 402 HB2 LEU 54 HB2 LEU 54 -7.505 0.108 -5.749 403 HB3 LEU 54 HB1 LEU 54 -6.316 -1.064 -6.251 404 HG LEU 54 HG LEU 54 -6.038 1.249 -4.387 405 HD11 LEU 54 HD11 LEU 54 -6.392 -1.000 -3.512 406 HD12 LEU 54 HD12 LEU 54 -4.800 -0.375 -3.069 407 HD13 LEU 54 HD13 LEU 54 -4.953 -1.559 -4.368 408 HD21 LEU 54 HD21 LEU 54 -4.317 1.823 -5.874 409 HD22 LEU 54 HD22 LEU 54 -3.854 0.142 -6.120 410 HD23 LEU 54 HD23 LEU 54 -3.535 0.927 -4.572 411 H ARG 55 HN ARG 55 -3.941 0.915 -8.123 412 HA ARG 55 HA ARG 55 -4.160 -1.331 -10.010 413 HB2 ARG 55 HB2 ARG 55 -2.314 1.055 -10.211 414 HB3 ARG 55 HB1 ARG 55 -2.524 -0.219 -11.406 415 HG2 ARG 55 HG2 ARG 55 -4.864 1.423 -10.560 416 HG3 ARG 55 HG1 ARG 55 -3.712 2.062 -11.729 417 HD2 ARG 55 HD2 ARG 55 -4.369 0.624 -13.352 418 HD3 ARG 55 HD1 ARG 55 -4.655 -0.687 -12.212 419 HE ARG 55 HE ARG 55 -6.531 1.558 -12.595 420 HH11 ARG 55 HH11 ARG 55 -5.882 -1.852 -12.108 421 HH12 ARG 55 HH12 ARG 55 -7.554 -2.298 -12.092 422 HH21 ARG 55 HH21 ARG 55 -8.746 0.964 -12.587 423 HH22 ARG 55 HH22 ARG 55 -9.182 -0.699 -12.358 424 H GLN 56 HN GLN 56 -2.464 -2.809 -10.072 425 HA GLN 56 HA GLN 56 -0.968 -2.927 -7.596 426 HB2 GLN 56 HB2 GLN 56 -0.238 -5.004 -9.487 427 HB3 GLN 56 HB1 GLN 56 -0.890 -5.129 -7.876 428 HG2 GLN 56 HG2 GLN 56 -3.088 -5.126 -8.596 429 HG3 GLN 56 HG1 GLN 56 -2.653 -4.524 -10.170 430 HE21 GLN 56 HE21 GLN 56 -0.461 -6.300 -10.593 431 HE22 GLN 56 HE22 GLN 56 -1.135 -7.868 -10.870 432 H GLY 57 HN GLY 57 1.173 -2.680 -7.343 433 HA2 GLY 57 HA2 GLY 57 3.416 -2.546 -8.100 434 HA3 GLY 57 HA1 GLY 57 2.830 -2.225 -9.721 435 H ASP 58 HN ASP 58 1.042 -0.371 -7.610 436 HA ASP 58 HA ASP 58 2.512 2.028 -8.325 437 HB2 ASP 58 HB2 ASP 58 -0.022 1.644 -6.714 438 HB3 ASP 58 HB1 ASP 58 0.686 3.206 -7.067 439 H LEU 59 HN LEU 59 1.909 3.583 -6.051 440 HA LEU 59 HA LEU 59 3.345 2.274 -3.912 441 HB2 LEU 59 HB2 LEU 59 4.158 4.693 -5.407 442 HB3 LEU 59 HB1 LEU 59 4.295 4.794 -3.663 443 HG LEU 59 HG LEU 59 5.644 2.783 -5.445 444 HD11 LEU 59 HD11 LEU 59 6.582 5.048 -5.536 445 HD12 LEU 59 HD12 LEU 59 7.688 3.904 -4.777 446 HD13 LEU 59 HD13 LEU 59 6.767 5.031 -3.782 447 HD21 LEU 59 HD21 LEU 59 5.142 1.679 -3.400 448 HD22 LEU 59 HD22 LEU 59 5.623 3.087 -2.452 449 HD23 LEU 59 HD23 LEU 59 6.838 2.158 -3.332 450 H ILE 60 HN ILE 60 1.967 2.301 -2.274 451 HA ILE 60 HA ILE 60 -0.017 4.372 -2.076 452 HB ILE 60 HB ILE 60 0.649 2.113 -0.165 453 HG12 ILE 60 HG12 ILE 60 -1.789 2.319 -1.924 454 HG13 ILE 60 HG11 ILE 60 -0.292 1.624 -2.533 455 HG21 ILE 60 HG21 ILE 60 -1.559 2.613 0.840 456 HG22 ILE 60 HG22 ILE 60 -1.662 4.051 -0.178 457 HG23 ILE 60 HG23 ILE 60 -0.393 3.922 1.041 458 HD11 ILE 60 HD11 ILE 60 -0.359 -0.061 -0.768 459 HD12 ILE 60 HD12 ILE 60 -1.812 -0.098 -1.768 460 HD13 ILE 60 HD13 ILE 60 -1.863 0.638 -0.165 461 H THR 61 HN THR 61 0.654 6.317 -1.430 462 HA THR 61 HA THR 61 2.880 6.517 0.433 463 HB THR 61 HB THR 61 3.101 7.922 -1.472 464 HG1 THR 61 HG1 THR 61 2.311 9.448 0.802 465 HG21 THR 61 HG21 THR 61 1.464 9.646 -2.078 466 HG22 THR 61 HG22 THR 61 0.394 9.078 -0.796 467 HG23 THR 61 HG23 THR 61 0.761 8.026 -2.168 468 H HIS 62 HN HIS 62 -0.584 7.081 0.357 469 HA HIS 62 HA HIS 62 -0.459 7.596 3.235 470 HB2 HIS 62 HB2 HIS 62 -2.156 9.324 1.421 471 HB3 HIS 62 HB1 HIS 62 -2.042 9.429 3.167 472 HD2 HIS 62 HD2 HIS 62 0.318 10.596 4.154 473 HE1 HIS 62 HE1 HIS 62 1.404 12.219 0.400 474 HE2 HIS 62 HE2 HIS 62 1.854 12.269 2.895 475 H VAL 63 HN VAL 63 -2.194 6.884 4.373 476 HA VAL 63 HA VAL 63 -4.353 5.576 2.848 477 HB VAL 63 HB VAL 63 -2.993 4.603 5.369 478 HG11 VAL 63 HG11 VAL 63 -5.456 4.368 5.491 479 HG12 VAL 63 HG12 VAL 63 -4.611 2.822 5.459 480 HG13 VAL 63 HG13 VAL 63 -5.409 3.420 4.004 481 HG21 VAL 63 HG21 VAL 63 -1.886 4.073 3.206 482 HG22 VAL 63 HG22 VAL 63 -3.355 3.231 2.707 483 HG23 VAL 63 HG23 VAL 63 -2.428 2.647 4.089 484 H ASN 64 HN ASN 64 -6.176 6.635 3.202 485 HA ASN 64 HA ASN 64 -7.863 7.783 4.189 486 HB2 ASN 64 HB2 ASN 64 -6.583 6.749 6.733 487 HB3 ASN 64 HB1 ASN 64 -8.101 7.641 6.696 488 HD21 ASN 64 HD21 ASN 64 -7.441 4.906 7.535 489 HD22 ASN 64 HD22 ASN 64 -8.489 3.883 6.623 490 H GLY 65 HN GLY 65 -5.096 8.866 3.719 491 HA2 GLY 65 HA2 GLY 65 -4.452 11.117 3.649 492 HA3 GLY 65 HA1 GLY 65 -5.585 11.458 4.946 493 H GLU 66 HN GLU 66 -3.635 8.735 5.506 494 HA GLU 66 HA GLU 66 -2.024 10.282 7.417 495 HB2 GLU 66 HB2 GLU 66 -2.463 7.303 7.344 496 HB3 GLU 66 HB1 GLU 66 -1.749 8.237 8.648 497 HG2 GLU 66 HG2 GLU 66 -4.549 8.769 7.789 498 HG3 GLU 66 HG1 GLU 66 -4.181 7.396 8.825 499 HA PRO 67 HA PRO 67 1.535 9.318 4.864 500 HB2 PRO 67 HB2 PRO 67 3.157 10.075 7.176 501 HB3 PRO 67 HB1 PRO 67 3.043 10.857 5.599 502 HG2 PRO 67 HG2 PRO 67 2.051 11.971 7.860 503 HG3 PRO 67 HG1 PRO 67 1.334 12.239 6.265 504 HD2 PRO 67 HD2 PRO 67 0.434 10.447 8.464 505 HD3 PRO 67 HD1 PRO 67 -0.528 11.431 7.348 506 H VAL 68 HN VAL 68 1.740 7.154 4.676 507 HA VAL 68 HA VAL 68 2.146 5.514 7.025 508 HB VAL 68 HB VAL 68 2.026 3.607 5.559 509 HG11 VAL 68 HG11 VAL 68 -0.250 3.893 4.751 510 HG12 VAL 68 HG12 VAL 68 -0.083 5.646 4.862 511 HG13 VAL 68 HG13 VAL 68 -0.050 4.662 6.325 512 HG21 VAL 68 HG21 VAL 68 1.650 3.868 3.138 513 HG22 VAL 68 HG22 VAL 68 3.235 4.464 3.630 514 HG23 VAL 68 HG23 VAL 68 1.929 5.602 3.293 515 H HIS 69 HN HIS 69 4.143 7.228 4.995 516 HA HIS 69 HA HIS 69 6.299 5.482 4.603 517 HB2 HIS 69 HB2 HIS 69 6.179 7.590 3.407 518 HB3 HIS 69 HB1 HIS 69 6.272 8.493 4.914 519 HD2 HIS 69 HD2 HIS 69 8.724 9.403 5.390 520 HE1 HIS 69 HE1 HIS 69 10.869 6.421 3.292 521 HE2 HIS 69 HE2 HIS 69 11.056 8.389 4.878 522 H GLY 70 HN GLY 70 7.364 4.422 6.115 523 HA2 GLY 70 HA2 GLY 70 9.051 4.656 7.875 524 HA3 GLY 70 HA1 GLY 70 7.991 5.838 8.630 525 H LEU 71 HN LEU 71 5.627 4.022 7.898 526 HA LEU 71 HA LEU 71 5.583 2.623 10.380 527 HB2 LEU 71 HB2 LEU 71 3.773 2.557 7.987 528 HB3 LEU 71 HB1 LEU 71 3.458 1.689 9.467 529 HG LEU 71 HG LEU 71 3.620 4.645 9.164 530 HD11 LEU 71 HD11 LEU 71 1.673 3.906 8.161 531 HD12 LEU 71 HD12 LEU 71 1.193 4.450 9.772 532 HD13 LEU 71 HD13 LEU 71 1.372 2.720 9.433 533 HD21 LEU 71 HD21 LEU 71 2.803 4.724 11.483 534 HD22 LEU 71 HD22 LEU 71 4.409 4.009 11.361 535 HD23 LEU 71 HD23 LEU 71 2.999 2.974 11.582 536 H VAL 72 HN VAL 72 4.613 0.376 10.312 537 HA VAL 72 HA VAL 72 6.393 -1.381 8.798 538 HB VAL 72 HB VAL 72 5.602 -3.145 10.352 539 HG11 VAL 72 HG11 VAL 72 6.683 -2.300 12.388 540 HG12 VAL 72 HG12 VAL 72 6.611 -0.663 11.736 541 HG13 VAL 72 HG13 VAL 72 7.599 -1.886 10.937 542 HG21 VAL 72 HG21 VAL 72 3.708 -1.009 11.099 543 HG22 VAL 72 HG22 VAL 72 4.400 -1.925 12.447 544 HG23 VAL 72 HG23 VAL 72 3.535 -2.769 11.162 545 H HIS 73 HN HIS 73 5.189 -3.523 8.178 546 HA HIS 73 HA HIS 73 3.284 -2.902 6.235 547 HB2 HIS 73 HB2 HIS 73 4.697 -4.922 6.196 548 HB3 HIS 73 HB1 HIS 73 3.786 -5.580 7.550 549 HD1 HIS 73 HD1 HIS 73 2.769 -4.160 4.143 550 HD2 HIS 73 HD2 HIS 73 2.049 -7.392 6.653 551 HE1 HIS 73 HE1 HIS 73 1.099 -5.629 2.947 552 H THR 74 HN THR 74 2.849 -4.213 9.501 553 HA THR 74 HA THR 74 0.046 -4.557 9.234 554 HB THR 74 HB THR 74 0.210 -4.568 11.824 555 HG1 THR 74 HG1 THR 74 2.279 -4.796 12.607 556 HG21 THR 74 HG21 THR 74 1.075 -6.880 11.740 557 HG22 THR 74 HG22 THR 74 1.609 -6.595 10.083 558 HG23 THR 74 HG23 THR 74 -0.111 -6.557 10.474 559 H GLU 75 HN GLU 75 2.001 -1.820 10.418 560 HA GLU 75 HA GLU 75 -0.034 -0.439 11.698 561 HB2 GLU 75 HB2 GLU 75 2.448 0.546 10.307 562 HB3 GLU 75 HB1 GLU 75 1.290 1.621 11.000 563 HG2 GLU 75 HG2 GLU 75 2.416 -0.583 12.625 564 HG3 GLU 75 HG1 GLU 75 3.262 0.958 12.451 565 H VAL 76 HN VAL 76 0.958 -0.438 8.331 566 HA VAL 76 HA VAL 76 -1.031 1.468 7.558 567 HB VAL 76 HB VAL 76 -0.344 1.124 5.296 568 HG11 VAL 76 HG11 VAL 76 2.024 1.570 5.456 569 HG12 VAL 76 HG12 VAL 76 2.076 0.863 7.072 570 HG13 VAL 76 HG13 VAL 76 1.178 2.354 6.791 571 HG21 VAL 76 HG21 VAL 76 1.192 -0.635 4.604 572 HG22 VAL 76 HG22 VAL 76 -0.292 -1.322 5.269 573 HG23 VAL 76 HG23 VAL 76 1.182 -1.299 6.238 574 H VAL 77 HN VAL 77 -0.780 -2.050 7.591 575 HA VAL 77 HA VAL 77 -3.074 -2.712 6.141 576 HB VAL 77 HB VAL 77 -1.579 -4.076 8.366 577 HG11 VAL 77 HG11 VAL 77 -2.994 -6.006 8.252 578 HG12 VAL 77 HG12 VAL 77 -4.013 -5.247 7.030 579 HG13 VAL 77 HG13 VAL 77 -3.982 -4.608 8.673 580 HG21 VAL 77 HG21 VAL 77 -1.131 -5.731 6.610 581 HG22 VAL 77 HG22 VAL 77 -0.614 -4.112 6.136 582 HG23 VAL 77 HG23 VAL 77 -2.108 -4.789 5.484 583 H GLU 78 HN GLU 78 -2.671 -2.160 9.618 584 HA GLU 78 HA GLU 78 -5.364 -2.409 10.333 585 HB2 GLU 78 HB2 GLU 78 -3.289 -0.687 11.574 586 HB3 GLU 78 HB1 GLU 78 -4.772 -1.200 12.342 587 HG2 GLU 78 HG2 GLU 78 -4.004 -3.516 12.028 588 HG3 GLU 78 HG1 GLU 78 -2.454 -2.887 11.516 589 H LEU 79 HN LEU 79 -3.410 0.382 9.679 590 HA LEU 79 HA LEU 79 -5.144 2.465 9.878 591 HB2 LEU 79 HB2 LEU 79 -2.687 2.053 8.646 592 HB3 LEU 79 HB1 LEU 79 -3.711 2.657 7.361 593 HG LEU 79 HG LEU 79 -4.313 4.557 8.976 594 HD11 LEU 79 HD11 LEU 79 -3.490 3.675 11.025 595 HD12 LEU 79 HD12 LEU 79 -2.476 5.050 10.593 596 HD13 LEU 79 HD13 LEU 79 -1.891 3.407 10.335 597 HD21 LEU 79 HD21 LEU 79 -1.779 5.422 8.512 598 HD22 LEU 79 HD22 LEU 79 -3.086 5.437 7.330 599 HD23 LEU 79 HD23 LEU 79 -1.927 4.102 7.349 600 H ILE 80 HN ILE 80 -4.684 0.601 6.849 601 HA ILE 80 HA ILE 80 -6.765 1.619 5.369 602 HB ILE 80 HB ILE 80 -5.711 -1.201 5.505 603 HG12 ILE 80 HG12 ILE 80 -4.990 0.817 3.437 604 HG13 ILE 80 HG11 ILE 80 -4.232 0.898 5.013 605 HG21 ILE 80 HG21 ILE 80 -7.819 -1.225 4.399 606 HG22 ILE 80 HG22 ILE 80 -6.546 -1.395 3.185 607 HG23 ILE 80 HG23 ILE 80 -7.366 0.154 3.395 608 HD11 ILE 80 HD11 ILE 80 -3.330 -1.251 4.796 609 HD12 ILE 80 HD12 ILE 80 -2.943 -0.361 3.320 610 HD13 ILE 80 HD13 ILE 80 -4.237 -1.565 3.316 611 H LEU 81 HN LEU 81 -6.814 -1.295 7.400 612 HA LEU 81 HA LEU 81 -9.486 -1.966 7.184 613 HB2 LEU 81 HB2 LEU 81 -7.520 -2.288 9.429 614 HB3 LEU 81 HB1 LEU 81 -9.143 -2.933 9.540 615 HG LEU 81 HG LEU 81 -7.259 -3.655 7.305 616 HD11 LEU 81 HD11 LEU 81 -7.707 -5.092 9.916 617 HD12 LEU 81 HD12 LEU 81 -6.219 -4.296 9.405 618 HD13 LEU 81 HD13 LEU 81 -6.798 -5.719 8.540 619 HD21 LEU 81 HD21 LEU 81 -8.741 -5.561 7.032 620 HD22 LEU 81 HD22 LEU 81 -9.643 -4.052 6.896 621 HD23 LEU 81 HD23 LEU 81 -9.735 -5.002 8.380 622 H LYS 82 HN LYS 82 -8.018 0.281 9.527 623 HA LYS 82 HA LYS 82 -10.331 0.773 11.017 624 HB2 LYS 82 HB2 LYS 82 -7.884 2.471 10.644 625 HB3 LYS 82 HB1 LYS 82 -9.102 2.706 11.897 626 HG2 LYS 82 HG2 LYS 82 -8.665 0.342 12.594 627 HG3 LYS 82 HG1 LYS 82 -7.290 0.368 11.518 628 HD2 LYS 82 HD2 LYS 82 -7.577 2.535 13.546 629 HD3 LYS 82 HD1 LYS 82 -6.995 0.952 14.060 630 HE2 LYS 82 HE2 LYS 82 -5.169 1.072 12.479 631 HE3 LYS 82 HE1 LYS 82 -5.789 2.591 11.833 632 HZ1 LYS 82 HZ1 LYS 82 -5.157 3.745 13.705 633 HZ2 LYS 82 HZ2 LYS 82 -3.889 2.638 13.544 634 HZ3 LYS 82 HZ3 LYS 82 -5.107 2.370 14.687 635 H SER 83 HN SER 83 -9.786 1.719 7.854 636 HA SER 83 HA SER 83 -10.684 4.315 7.662 637 HB2 SER 83 HB2 SER 83 -11.478 3.669 5.387 638 HB3 SER 83 HB1 SER 83 -9.841 3.122 5.743 639 HG SER 83 HG SER 83 -10.480 1.107 5.692 640 H GLY 84 HN GLY 84 -12.764 1.446 7.217 641 HA2 GLY 84 HA2 GLY 84 -14.883 1.131 8.221 642 HA3 GLY 84 HA1 GLY 84 -14.946 2.850 8.584 643 H ASN 85 HN ASN 85 -15.781 0.383 6.409 644 HA ASN 85 HA ASN 85 -17.247 0.281 4.694 645 HB2 ASN 85 HB2 ASN 85 -18.811 1.795 5.459 646 HB3 ASN 85 HB1 ASN 85 -17.663 3.129 5.496 647 HD21 ASN 85 HD21 ASN 85 -19.471 1.037 3.291 648 HD22 ASN 85 HD22 ASN 85 -19.615 2.212 2.036 649 H LYS 86 HN LYS 86 -15.004 3.011 4.451 650 HA LYS 86 HA LYS 86 -14.053 1.951 1.957 651 HB2 LYS 86 HB2 LYS 86 -14.212 4.066 0.779 652 HB3 LYS 86 HB1 LYS 86 -15.786 3.443 1.195 653 HG2 LYS 86 HG2 LYS 86 -15.525 4.946 3.292 654 HG3 LYS 86 HG1 LYS 86 -14.332 5.759 2.286 655 HD2 LYS 86 HD2 LYS 86 -16.113 5.907 0.509 656 HD3 LYS 86 HD1 LYS 86 -17.249 5.370 1.750 657 HE2 LYS 86 HE2 LYS 86 -16.616 7.293 3.135 658 HE3 LYS 86 HE1 LYS 86 -15.531 7.841 1.859 659 HZ1 LYS 86 HZ1 LYS 86 -17.445 8.045 0.391 660 HZ2 LYS 86 HZ2 LYS 86 -17.625 9.010 1.768 661 HZ3 LYS 86 HZ3 LYS 86 -18.476 7.554 1.639 662 H VAL 87 HN VAL 87 -12.126 2.891 1.309 663 HA VAL 87 HA VAL 87 -10.736 4.406 3.409 664 HB VAL 87 HB VAL 87 -10.150 2.130 3.826 665 HG11 VAL 87 HG11 VAL 87 -10.770 1.112 1.751 666 HG12 VAL 87 HG12 VAL 87 -9.081 0.717 2.084 667 HG13 VAL 87 HG13 VAL 87 -9.478 1.959 0.896 668 HG21 VAL 87 HG21 VAL 87 -8.300 3.614 4.114 669 HG22 VAL 87 HG22 VAL 87 -7.951 3.612 2.387 670 HG23 VAL 87 HG23 VAL 87 -7.682 2.155 3.342 671 H ALA 88 HN ALA 88 -9.490 5.996 2.680 672 HA ALA 88 HA ALA 88 -9.306 6.341 -0.213 673 HB1 ALA 88 HB1 ALA 88 -10.113 8.249 1.052 674 HB2 ALA 88 HB2 ALA 88 -8.567 8.614 0.281 675 HB3 ALA 88 HB3 ALA 88 -8.632 8.260 2.010 676 H ILE 89 HN ILE 89 -7.678 5.338 -1.063 677 HA ILE 89 HA ILE 89 -5.118 5.235 0.361 678 HB ILE 89 HB ILE 89 -5.956 3.657 -2.068 679 HG12 ILE 89 HG12 ILE 89 -6.545 3.303 0.784 680 HG13 ILE 89 HG11 ILE 89 -7.306 2.594 -0.626 681 HG21 ILE 89 HG21 ILE 89 -4.037 2.366 -1.736 682 HG22 ILE 89 HG22 ILE 89 -3.752 3.051 -0.138 683 HG23 ILE 89 HG23 ILE 89 -3.506 4.042 -1.577 684 HD11 ILE 89 HD11 ILE 89 -6.445 0.821 0.678 685 HD12 ILE 89 HD12 ILE 89 -4.871 1.610 0.814 686 HD13 ILE 89 HD13 ILE 89 -5.408 0.977 -0.743 687 H SER 90 HN SER 90 -3.834 6.885 -0.141 688 HA SER 90 HA SER 90 -4.006 8.231 -2.676 689 HB2 SER 90 HB2 SER 90 -1.869 8.639 -0.588 690 HB3 SER 90 HB1 SER 90 -2.497 9.801 -1.755 691 HG SER 90 HG SER 90 -3.904 10.351 -0.300 692 H THR 91 HN THR 91 -3.243 7.183 -4.385 693 HA THR 91 HA THR 91 -0.819 5.580 -4.142 694 HB THR 91 HB THR 91 -1.505 4.942 -6.559 695 HG1 THR 91 HG1 THR 91 -3.332 5.747 -7.262 696 HG21 THR 91 HG21 THR 91 -1.730 3.348 -4.786 697 HG22 THR 91 HG22 THR 91 -3.240 3.345 -5.705 698 HG23 THR 91 HG23 THR 91 -3.154 4.178 -4.151 699 H THR 92 HN THR 92 0.809 5.724 -5.750 700 HA THR 92 HA THR 92 0.952 7.957 -7.540 701 HB THR 92 HB THR 92 1.557 9.141 -5.520 702 HG1 THR 92 HG1 THR 92 4.053 8.525 -6.725 703 HG21 THR 92 HG21 THR 92 2.109 7.202 -4.132 704 HG22 THR 92 HG22 THR 92 3.370 8.436 -4.055 705 HG23 THR 92 HG23 THR 92 3.613 6.989 -5.032 706 HA PRO 93 HA PRO 93 3.408 5.148 -9.931 707 HB2 PRO 93 HB2 PRO 93 5.440 7.325 -9.965 708 HB3 PRO 93 HB1 PRO 93 4.838 6.348 -11.300 709 HG2 PRO 93 HG2 PRO 93 3.955 8.832 -10.956 710 HG3 PRO 93 HG1 PRO 93 2.845 7.540 -11.450 711 HD2 PRO 93 HD2 PRO 93 3.115 8.901 -8.821 712 HD3 PRO 93 HD1 PRO 93 1.688 8.167 -9.576 713 H LEU 94 HN LEU 94 5.066 3.744 -9.779 714 HA LEU 94 HA LEU 94 6.744 3.908 -7.367 715 HB2 LEU 94 HB2 LEU 94 5.372 1.975 -7.164 716 HB3 LEU 94 HB1 LEU 94 5.607 1.541 -8.848 717 HG LEU 94 HG LEU 94 7.970 0.974 -8.355 718 HD11 LEU 94 HD11 LEU 94 7.211 1.427 -5.479 719 HD12 LEU 94 HD12 LEU 94 8.277 2.462 -6.428 720 HD13 LEU 94 HD13 LEU 94 8.745 0.799 -6.075 721 HD21 LEU 94 HD21 LEU 94 7.492 -1.069 -7.055 722 HD22 LEU 94 HD22 LEU 94 6.328 -0.785 -8.350 723 HD23 LEU 94 HD23 LEU 94 5.894 -0.423 -6.678 724 H GLU 95 HN GLU 95 8.138 5.275 -8.601 725 HA GLU 95 HA GLU 95 9.579 3.971 -10.782 726 HB2 GLU 95 HB2 GLU 95 10.203 6.741 -9.920 727 HB3 GLU 95 HB1 GLU 95 10.172 6.055 -11.534 728 HG2 GLU 95 HG2 GLU 95 7.522 5.987 -10.494 729 HG3 GLU 95 HG1 GLU 95 8.185 7.601 -10.247 730 H ASN 96 HN ASN 96 11.399 2.995 -10.394 731 HA ASN 96 HA ASN 96 13.171 3.931 -8.266 732 HB2 ASN 96 HB2 ASN 96 11.920 2.122 -7.224 733 HB3 ASN 96 HB1 ASN 96 12.216 1.075 -8.605 734 HD21 ASN 96 HD21 ASN 96 14.119 -0.014 -8.763 735 HD22 ASN 96 HD22 ASN 96 15.332 -0.008 -7.528 736 H2 PRO 97 HT1 PRO 97 9.738 -5.275 -12.858 737 H3 PRO 97 HT2 PRO 97 10.273 -4.466 -14.174 738 HA PRO 97 HA PRO 97 9.918 -2.543 -13.362 739 HB2 PRO 97 HB2 PRO 97 7.703 -2.703 -11.610 740 HB3 PRO 97 HB1 PRO 97 7.748 -1.969 -13.221 741 HG2 PRO 97 HG2 PRO 97 6.874 -4.688 -12.405 742 HG3 PRO 97 HG1 PRO 97 6.294 -3.673 -13.737 743 HD2 PRO 97 HD2 PRO 97 7.846 -5.783 -14.223 744 HD3 PRO 97 HD1 PRO 97 8.067 -4.276 -15.131 745 H PHE 98 HN PHE 98 10.031 -1.486 -11.178 746 HA PHE 98 HA PHE 98 11.200 -1.272 -9.272 747 HB2 PHE 98 HB2 PHE 98 10.381 -2.592 -7.353 748 HB3 PHE 98 HB1 PHE 98 9.090 -1.902 -8.317 749 HD1 PHE 98 HD1 PHE 98 10.888 -5.029 -7.528 750 HD2 PHE 98 HD2 PHE 98 7.434 -3.275 -9.292 751 HE1 PHE 98 HE1 PHE 98 9.843 -7.248 -7.682 752 HE2 PHE 98 HE2 PHE 98 6.381 -5.493 -9.442 753 HZ PHE 98 HZ PHE 98 7.574 -7.475 -8.663 754 H ASP 99 HN ASP 99 12.184 -2.874 -7.329 755 HA ASP 99 HA ASP 99 13.797 -5.004 -8.356 756 HB2 ASP 99 HB2 ASP 99 15.023 -3.054 -9.267 757 HB3 ASP 99 HB1 ASP 99 15.139 -2.375 -7.650 758 H GLU 100 HN GLU 100 14.995 -6.031 -6.660 759 HA GLU 100 HA GLU 100 15.519 -6.682 -4.552 760 HB2 GLU 100 HB2 GLU 100 14.477 -3.975 -3.727 761 HB3 GLU 100 HB1 GLU 100 15.285 -5.108 -2.655 762 HG2 GLU 100 HG2 GLU 100 16.626 -4.189 -5.157 763 HG3 GLU 100 HG1 GLU 100 16.622 -3.167 -3.720 764 H ASP 101 HN ASP 101 14.547 -7.459 -2.575 765 HA ASP 101 HA ASP 101 11.725 -7.272 -2.142 766 HB2 ASP 101 HB2 ASP 101 11.949 -8.920 -4.086 767 HB3 ASP 101 HB1 ASP 101 12.740 -10.005 -2.948 768 H GLN 102 HN GLN 102 13.962 -9.970 -1.670 769 HA GLN 102 HA GLN 102 14.783 -11.001 0.162 770 HB2 GLN 102 HB2 GLN 102 14.820 -8.144 1.123 771 HB3 GLN 102 HB1 GLN 102 15.494 -9.471 2.057 772 HG2 GLN 102 HG2 GLN 102 17.350 -8.679 0.973 773 HG3 GLN 102 HG1 GLN 102 16.834 -9.976 -0.103 774 HE21 GLN 102 HE21 GLN 102 17.055 -6.550 0.347 775 HE22 GLN 102 HE22 GLN 102 16.798 -6.101 -1.303 776 H HIS 103 HN HIS 103 14.104 -9.607 2.928 777 HA HIS 103 HA HIS 103 11.895 -11.359 3.470 778 HB2 HIS 103 HB2 HIS 103 13.795 -10.908 5.066 779 HB3 HIS 103 HB1 HIS 103 13.110 -9.309 5.325 780 HD2 HIS 103 HD2 HIS 103 11.733 -13.006 5.667 781 HE1 HIS 103 HE1 HIS 103 10.254 -10.583 8.802 782 HE2 HIS 103 HE2 HIS 103 10.150 -12.867 7.717 783 H THR 104 HN THR 104 10.279 -10.473 2.124 784 HA THR 104 HA THR 104 9.300 -7.815 2.839 785 HB THR 104 HB THR 104 7.689 -8.283 0.892 786 HG1 THR 104 HG1 THR 104 9.540 -10.058 -0.174 787 HG21 THR 104 HG21 THR 104 9.297 -7.580 -0.748 788 HG22 THR 104 HG22 THR 104 10.631 -8.197 0.225 789 HG23 THR 104 HG23 THR 104 9.699 -6.808 0.785 790 H GLN 105 HN GLN 105 7.109 -7.467 3.402 791 HA GLN 105 HA GLN 105 5.891 -9.796 4.712 792 HB2 GLN 105 HB2 GLN 105 5.830 -6.868 5.237 793 HB3 GLN 105 HB1 GLN 105 4.389 -7.789 5.639 794 HG2 GLN 105 HG2 GLN 105 5.671 -7.682 7.605 795 HG3 GLN 105 HG1 GLN 105 5.888 -9.314 6.977 796 HE21 GLN 105 HE21 GLN 105 7.891 -9.982 6.361 797 HE22 GLN 105 HE22 GLN 105 9.319 -9.021 6.542 798 H ILE 106 HN ILE 106 3.918 -10.541 4.090 799 HA ILE 106 HA ILE 106 2.542 -9.063 1.945 800 HB ILE 106 HB ILE 106 3.050 -12.028 2.051 801 HG12 ILE 106 HG12 ILE 106 4.002 -10.079 -0.036 802 HG13 ILE 106 HG11 ILE 106 4.975 -10.518 1.365 803 HG21 ILE 106 HG21 ILE 106 1.588 -10.411 -0.031 804 HG22 ILE 106 HG22 ILE 106 0.846 -11.520 1.121 805 HG23 ILE 106 HG23 ILE 106 1.934 -12.136 -0.123 806 HD11 ILE 106 HD11 ILE 106 4.974 -12.837 0.652 807 HD12 ILE 106 HD12 ILE 106 5.592 -11.787 -0.623 808 HD13 ILE 106 HD13 ILE 106 3.951 -12.425 -0.723 809 H THR 107 HN THR 107 0.479 -8.686 2.440 810 HA THR 107 HA THR 107 -1.121 -10.712 3.738 811 HB THR 107 HB THR 107 -0.719 -8.017 5.070 812 HG1 THR 107 HG1 THR 107 0.550 -10.363 5.346 813 HG21 THR 107 HG21 THR 107 -2.252 -8.843 6.786 814 HG22 THR 107 HG22 THR 107 -2.500 -10.326 5.863 815 HG23 THR 107 HG23 THR 107 -3.049 -8.781 5.213 816 H LYS 108 HN LYS 108 -3.025 -10.743 2.778 817 HA LYS 108 HA LYS 108 -3.861 -8.575 1.075 818 HB2 LYS 108 HB2 LYS 108 -5.152 -11.206 1.823 819 HB3 LYS 108 HB1 LYS 108 -5.883 -10.053 0.715 820 HG2 LYS 108 HG2 LYS 108 -4.036 -10.296 -0.818 821 HG3 LYS 108 HG1 LYS 108 -3.193 -11.351 0.316 822 HD2 LYS 108 HD2 LYS 108 -5.104 -12.936 0.157 823 HD3 LYS 108 HD1 LYS 108 -5.797 -11.910 -1.095 824 HE2 LYS 108 HE2 LYS 108 -3.010 -12.988 -1.336 825 HE3 LYS 108 HE1 LYS 108 -4.402 -13.960 -1.805 826 HZ1 LYS 108 HZ1 LYS 108 -3.520 -12.806 -3.704 827 HZ2 LYS 108 HZ2 LYS 108 -3.652 -11.310 -2.920 828 HZ3 LYS 108 HZ3 LYS 108 -5.046 -12.177 -3.333 829 H VAL 109 HN VAL 109 -5.533 -7.123 1.486 830 HA VAL 109 HA VAL 109 -6.678 -7.251 4.179 831 HB VAL 109 HB VAL 109 -4.871 -5.649 4.193 832 HG11 VAL 109 HG11 VAL 109 -6.263 -4.286 1.897 833 HG12 VAL 109 HG12 VAL 109 -4.777 -5.231 1.785 834 HG13 VAL 109 HG13 VAL 109 -4.803 -3.728 2.712 835 HG21 VAL 109 HG21 VAL 109 -6.132 -3.554 4.745 836 HG22 VAL 109 HG22 VAL 109 -6.700 -5.005 5.568 837 HG23 VAL 109 HG23 VAL 109 -7.593 -4.369 4.191 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 3.259 20.081 -3.273 2 H2 GLY 1 HT2 GLY 1 2.690 21.668 -3.190 3 H3 GLY 1 HT3 GLY 1 1.693 20.442 -3.791 4 HA2 GLY 1 HA1 GLY 1 2.666 20.712 -1.004 5 HA3 GLY 1 HA2 GLY 1 1.027 21.004 -1.562 6 H GLY 2 HN GLY 2 0.387 19.403 0.041 7 HA2 GLY 2 HA2 GLY 2 1.199 16.648 -0.495 8 HA3 GLY 2 HA1 GLY 2 0.213 17.206 0.849 9 H SER 3 HN SER 3 -1.937 18.292 -0.045 10 HA SER 3 HA SER 3 -3.445 16.175 -1.145 11 HB2 SER 3 HB2 SER 3 -4.323 19.059 -1.064 12 HB3 SER 3 HB1 SER 3 -5.321 17.610 -0.954 13 HG SER 3 HG SER 3 -3.576 17.432 0.997 14 H MET 4 HN MET 4 -3.362 15.513 -3.177 15 HA MET 4 HA MET 4 -3.787 17.391 -5.329 16 HB2 MET 4 HB2 MET 4 -1.352 17.492 -5.124 17 HB3 MET 4 HB1 MET 4 -1.255 15.740 -5.222 18 HG2 MET 4 HG2 MET 4 -0.651 16.762 -7.331 19 HG3 MET 4 HG1 MET 4 -2.122 15.803 -7.493 20 HE1 MET 4 HE1 MET 4 -1.490 17.546 -9.778 21 HE2 MET 4 HE2 MET 4 -2.883 18.594 -10.046 22 HE3 MET 4 HE3 MET 4 -3.120 16.884 -9.681 23 H ARG 5 HN ARG 5 -2.790 14.054 -4.605 24 HA ARG 5 HA ARG 5 -4.341 13.037 -6.829 25 HB2 ARG 5 HB2 ARG 5 -2.531 11.780 -4.796 26 HB3 ARG 5 HB1 ARG 5 -3.565 10.788 -5.807 27 HG2 ARG 5 HG2 ARG 5 -1.553 10.789 -6.944 28 HG3 ARG 5 HG1 ARG 5 -2.476 12.042 -7.774 29 HD2 ARG 5 HD2 ARG 5 -1.322 13.768 -6.572 30 HD3 ARG 5 HD1 ARG 5 -0.514 12.575 -5.554 31 HE ARG 5 HE ARG 5 0.022 12.242 -8.357 32 HH11 ARG 5 HH11 ARG 5 0.967 13.895 -5.430 33 HH12 ARG 5 HH12 ARG 5 2.580 14.222 -5.973 34 HH21 ARG 5 HH21 ARG 5 2.152 12.674 -9.098 35 HH22 ARG 5 HH22 ARG 5 3.251 13.539 -8.069 36 HA PRO 6 HA PRO 6 -7.969 12.427 -4.325 37 HB2 PRO 6 HB2 PRO 6 -9.387 10.971 -6.112 38 HB3 PRO 6 HB1 PRO 6 -9.139 12.705 -6.286 39 HG2 PRO 6 HG2 PRO 6 -7.685 10.442 -7.583 40 HG3 PRO 6 HG1 PRO 6 -8.328 11.928 -8.292 41 HD2 PRO 6 HD2 PRO 6 -5.720 11.655 -7.657 42 HD3 PRO 6 HD1 PRO 6 -6.560 13.214 -7.541 43 HA PRO 7 HA PRO 7 -6.824 8.483 -2.529 44 HB2 PRO 7 HB2 PRO 7 -9.252 8.859 -0.912 45 HB3 PRO 7 HB1 PRO 7 -7.578 8.660 -0.392 46 HG2 PRO 7 HG2 PRO 7 -8.858 11.006 -0.216 47 HG3 PRO 7 HG1 PRO 7 -7.122 10.911 -0.565 48 HD2 PRO 7 HD2 PRO 7 -9.401 11.445 -2.424 49 HD3 PRO 7 HD1 PRO 7 -7.769 12.141 -2.412 50 H ILE 8 HN ILE 8 -7.578 6.417 -2.509 51 HA ILE 8 HA ILE 8 -9.800 5.858 -4.290 52 HB ILE 8 HB ILE 8 -7.865 3.925 -3.036 53 HG12 ILE 8 HG12 ILE 8 -6.803 5.778 -4.425 54 HG13 ILE 8 HG11 ILE 8 -6.444 4.128 -4.904 55 HG21 ILE 8 HG21 ILE 8 -9.676 2.713 -3.850 56 HG22 ILE 8 HG22 ILE 8 -8.482 2.625 -5.145 57 HG23 ILE 8 HG23 ILE 8 -9.843 3.740 -5.275 58 HD11 ILE 8 HD11 ILE 8 -6.872 5.624 -6.800 59 HD12 ILE 8 HD12 ILE 8 -8.515 5.866 -6.209 60 HD13 ILE 8 HD13 ILE 8 -7.990 4.262 -6.729 61 H ILE 9 HN ILE 9 -11.586 6.311 -2.886 62 HA ILE 9 HA ILE 9 -11.796 5.183 -0.292 63 HB ILE 9 HB ILE 9 -13.898 6.321 -2.135 64 HG12 ILE 9 HG12 ILE 9 -13.896 8.223 -0.718 65 HG13 ILE 9 HG11 ILE 9 -12.841 7.453 0.441 66 HG21 ILE 9 HG21 ILE 9 -15.068 4.796 -0.766 67 HG22 ILE 9 HG22 ILE 9 -15.310 6.389 -0.042 68 HG23 ILE 9 HG23 ILE 9 -14.145 5.265 0.661 69 HD11 ILE 9 HD11 ILE 9 -11.001 7.638 -1.089 70 HD12 ILE 9 HD12 ILE 9 -11.763 9.215 -0.888 71 HD13 ILE 9 HD13 ILE 9 -12.067 8.266 -2.345 72 H ILE 10 HN ILE 10 -11.497 3.034 -0.289 73 HA ILE 10 HA ILE 10 -13.052 1.313 -2.037 74 HB ILE 10 HB ILE 10 -10.968 0.568 0.011 75 HG12 ILE 10 HG12 ILE 10 -10.600 0.799 -2.963 76 HG13 ILE 10 HG11 ILE 10 -10.262 2.135 -1.879 77 HG21 ILE 10 HG21 ILE 10 -12.301 -1.320 -0.538 78 HG22 ILE 10 HG22 ILE 10 -10.810 -1.463 -1.472 79 HG23 ILE 10 HG23 ILE 10 -12.287 -0.904 -2.252 80 HD11 ILE 10 HD11 ILE 10 -8.570 0.819 -0.756 81 HD12 ILE 10 HD12 ILE 10 -8.253 0.889 -2.490 82 HD13 ILE 10 HD13 ILE 10 -8.950 -0.566 -1.777 83 H HIS 11 HN HIS 11 -14.845 0.434 -1.447 84 HA HIS 11 HA HIS 11 -15.879 0.637 1.218 85 HB2 HIS 11 HB2 HIS 11 -16.890 -0.663 -1.312 86 HB3 HIS 11 HB1 HIS 11 -17.823 -0.592 0.180 87 HD2 HIS 11 HD2 HIS 11 -17.360 2.514 0.911 88 HE1 HIS 11 HE1 HIS 11 -18.885 3.227 -2.960 89 HE2 HIS 11 HE2 HIS 11 -18.257 4.291 -0.748 90 H ARG 12 HN ARG 12 -16.368 -1.081 2.613 91 HA ARG 12 HA ARG 12 -14.536 -3.212 2.712 92 HB2 ARG 12 HB2 ARG 12 -15.980 -3.989 4.593 93 HB3 ARG 12 HB1 ARG 12 -15.516 -2.303 4.719 94 HG2 ARG 12 HG2 ARG 12 -17.670 -1.579 4.020 95 HG3 ARG 12 HG1 ARG 12 -18.148 -3.227 3.601 96 HD2 ARG 12 HD2 ARG 12 -17.990 -3.875 5.918 97 HD3 ARG 12 HD1 ARG 12 -17.444 -2.268 6.366 98 HE ARG 12 HE ARG 12 -20.065 -2.563 5.087 99 HH11 ARG 12 HH11 ARG 12 -18.205 -1.901 7.992 100 HH12 ARG 12 HH12 ARG 12 -19.527 -1.141 8.817 101 HH21 ARG 12 HH21 ARG 12 -21.804 -1.566 6.171 102 HH22 ARG 12 HH22 ARG 12 -21.578 -0.941 7.777 103 H ALA 13 HN ALA 13 -14.743 -5.371 2.229 104 HA ALA 13 HA ALA 13 -17.170 -6.154 0.748 105 HB1 ALA 13 HB1 ALA 13 -14.289 -6.620 0.160 106 HB2 ALA 13 HB2 ALA 13 -15.616 -6.204 -0.929 107 HB3 ALA 13 HB3 ALA 13 -15.464 -7.848 -0.314 108 H GLY 14 HN GLY 14 -14.538 -7.255 2.829 109 HA2 GLY 14 HA2 GLY 14 -15.894 -8.660 4.673 110 HA3 GLY 14 HA1 GLY 14 -15.838 -9.794 3.331 111 H LYS 15 HN LYS 15 -13.833 -10.629 2.652 112 HA LYS 15 HA LYS 15 -11.929 -10.831 4.814 113 HB2 LYS 15 HB2 LYS 15 -12.050 -12.123 2.088 114 HB3 LYS 15 HB1 LYS 15 -10.751 -12.402 3.232 115 HG2 LYS 15 HG2 LYS 15 -13.625 -12.913 3.895 116 HG3 LYS 15 HG1 LYS 15 -12.576 -14.132 3.188 117 HD2 LYS 15 HD2 LYS 15 -12.038 -12.695 5.773 118 HD3 LYS 15 HD1 LYS 15 -12.750 -14.300 5.637 119 HE2 LYS 15 HE2 LYS 15 -10.716 -15.062 4.461 120 HE3 LYS 15 HE1 LYS 15 -10.003 -13.470 4.717 121 HZ1 LYS 15 HZ1 LYS 15 -9.262 -15.044 6.385 122 HZ2 LYS 15 HZ2 LYS 15 -10.855 -15.347 6.854 123 HZ3 LYS 15 HZ3 LYS 15 -10.178 -13.819 7.099 124 H LYS 16 HN LYS 16 -12.096 -9.394 1.620 125 HA LYS 16 HA LYS 16 -9.658 -7.885 2.235 126 HB2 LYS 16 HB2 LYS 16 -10.233 -9.363 -0.338 127 HB3 LYS 16 HB1 LYS 16 -9.010 -8.110 -0.197 128 HG2 LYS 16 HG2 LYS 16 -7.738 -9.429 1.335 129 HG3 LYS 16 HG1 LYS 16 -9.027 -10.629 1.450 130 HD2 LYS 16 HD2 LYS 16 -7.522 -11.609 -0.030 131 HD3 LYS 16 HD1 LYS 16 -8.719 -10.879 -1.097 132 HE2 LYS 16 HE2 LYS 16 -7.225 -8.916 -1.354 133 HE3 LYS 16 HE1 LYS 16 -6.012 -9.745 -0.378 134 HZ1 LYS 16 HZ1 LYS 16 -6.990 -10.444 -3.087 135 HZ2 LYS 16 HZ2 LYS 16 -6.230 -11.592 -2.104 136 HZ3 LYS 16 HZ3 LYS 16 -5.395 -10.190 -2.559 137 H TYR 17 HN TYR 17 -9.502 -5.873 1.174 138 HA TYR 17 HA TYR 17 -12.043 -4.626 0.586 139 HB2 TYR 17 HB2 TYR 17 -9.184 -3.635 0.556 140 HB3 TYR 17 HB1 TYR 17 -10.536 -2.628 0.057 141 HD1 TYR 17 HD1 TYR 17 -12.151 -1.811 1.693 142 HD2 TYR 17 HD2 TYR 17 -8.826 -4.180 2.864 143 HE1 TYR 17 HE1 TYR 17 -12.497 -1.127 4.029 144 HE2 TYR 17 HE2 TYR 17 -9.155 -3.531 5.193 145 HH TYR 17 HH TYR 17 -10.242 -1.471 6.388 146 H GLY 18 HN GLY 18 -10.158 -6.627 -1.079 147 HA2 GLY 18 HA2 GLY 18 -10.748 -7.164 -3.355 148 HA3 GLY 18 HA1 GLY 18 -10.939 -5.443 -3.638 149 H PHE 19 HN PHE 19 -8.230 -6.060 -1.740 150 HA PHE 19 HA PHE 19 -6.518 -6.514 -4.017 151 HB2 PHE 19 HB2 PHE 19 -5.258 -4.526 -3.904 152 HB3 PHE 19 HB1 PHE 19 -6.934 -4.068 -3.975 153 HD1 PHE 19 HD1 PHE 19 -8.078 -3.327 -1.827 154 HD2 PHE 19 HD2 PHE 19 -3.865 -3.824 -2.174 155 HE1 PHE 19 HE1 PHE 19 -7.747 -1.898 0.153 156 HE2 PHE 19 HE2 PHE 19 -3.527 -2.407 -0.193 157 HZ PHE 19 HZ PHE 19 -5.472 -1.440 0.970 158 H THR 20 HN THR 20 -4.309 -6.507 -3.562 159 HA THR 20 HA THR 20 -3.689 -7.722 -0.950 160 HB THR 20 HB THR 20 -2.433 -8.190 -3.666 161 HG1 THR 20 HG1 THR 20 -3.827 -9.763 -3.741 162 HG21 THR 20 HG21 THR 20 -0.683 -8.274 -1.953 163 HG22 THR 20 HG22 THR 20 -1.044 -9.899 -2.541 164 HG23 THR 20 HG23 THR 20 -1.675 -9.370 -0.981 165 H LEU 21 HN LEU 21 -2.450 -6.506 0.297 166 HA LEU 21 HA LEU 21 -0.916 -4.338 -0.903 167 HB2 LEU 21 HB2 LEU 21 -2.384 -3.827 1.008 168 HB3 LEU 21 HB1 LEU 21 -1.496 -4.968 1.995 169 HG LEU 21 HG LEU 21 0.493 -3.581 1.895 170 HD11 LEU 21 HD11 LEU 21 0.324 -2.654 -0.307 171 HD12 LEU 21 HD12 LEU 21 0.371 -1.330 0.855 172 HD13 LEU 21 HD13 LEU 21 -1.159 -1.801 0.114 173 HD21 LEU 21 HD21 LEU 21 -1.980 -2.008 2.597 174 HD22 LEU 21 HD22 LEU 21 -0.339 -1.634 3.122 175 HD23 LEU 21 HD23 LEU 21 -1.114 -3.126 3.652 176 H ARG 22 HN ARG 22 1.246 -4.407 -1.083 177 HA ARG 22 HA ARG 22 2.661 -6.499 0.417 178 HB2 ARG 22 HB2 ARG 22 2.905 -5.861 -2.517 179 HB3 ARG 22 HB1 ARG 22 4.116 -6.771 -1.640 180 HG2 ARG 22 HG2 ARG 22 1.958 -8.212 -0.981 181 HG3 ARG 22 HG1 ARG 22 1.418 -7.562 -2.522 182 HD2 ARG 22 HD2 ARG 22 2.581 -9.743 -2.723 183 HD3 ARG 22 HD1 ARG 22 3.316 -8.454 -3.665 184 HE ARG 22 HE ARG 22 4.452 -8.989 -1.029 185 HH11 ARG 22 HH11 ARG 22 4.671 -9.321 -4.504 186 HH12 ARG 22 HH12 ARG 22 6.331 -9.813 -4.481 187 HH21 ARG 22 HH21 ARG 22 6.653 -9.663 -1.002 188 HH22 ARG 22 HH22 ARG 22 7.455 -10.011 -2.504 189 H ALA 23 HN ALA 23 4.460 -5.858 1.368 190 HA ALA 23 HA ALA 23 5.249 -3.073 1.085 191 HB1 ALA 23 HB1 ALA 23 6.473 -5.020 3.010 192 HB2 ALA 23 HB2 ALA 23 4.885 -4.319 3.319 193 HB3 ALA 23 HB3 ALA 23 6.297 -3.271 3.160 194 H ILE 24 HN ILE 24 6.463 -2.853 -0.713 195 HA ILE 24 HA ILE 24 8.483 -4.815 -1.385 196 HB ILE 24 HB ILE 24 8.989 -3.322 -3.314 197 HG12 ILE 24 HG12 ILE 24 6.503 -1.783 -2.607 198 HG13 ILE 24 HG11 ILE 24 8.080 -1.253 -2.034 199 HG21 ILE 24 HG21 ILE 24 7.424 -5.168 -3.530 200 HG22 ILE 24 HG22 ILE 24 6.901 -3.800 -4.514 201 HG23 ILE 24 HG23 ILE 24 6.106 -4.135 -2.977 202 HD11 ILE 24 HD11 ILE 24 7.397 -0.094 -4.075 203 HD12 ILE 24 HD12 ILE 24 7.315 -1.641 -4.920 204 HD13 ILE 24 HD13 ILE 24 8.863 -1.043 -4.321 205 H ARG 25 HN ARG 25 10.705 -4.408 -1.490 206 HA ARG 25 HA ARG 25 11.567 -2.213 0.264 207 HB2 ARG 25 HB2 ARG 25 11.874 -4.518 1.168 208 HB3 ARG 25 HB1 ARG 25 12.955 -4.861 -0.176 209 HG2 ARG 25 HG2 ARG 25 14.431 -3.042 0.593 210 HG3 ARG 25 HG1 ARG 25 13.370 -2.806 1.984 211 HD2 ARG 25 HD2 ARG 25 14.666 -5.445 1.342 212 HD3 ARG 25 HD1 ARG 25 15.432 -4.230 2.365 213 HE ARG 25 HE ARG 25 12.756 -5.207 3.073 214 HH11 ARG 25 HH11 ARG 25 16.201 -5.086 3.756 215 HH12 ARG 25 HH12 ARG 25 16.026 -5.654 5.386 216 HH21 ARG 25 HH21 ARG 25 12.537 -5.943 5.235 217 HH22 ARG 25 HH22 ARG 25 13.948 -6.117 6.229 218 H VAL 26 HN VAL 26 12.919 -0.759 -0.507 219 HA VAL 26 HA VAL 26 14.519 -1.387 -2.897 220 HB VAL 26 HB VAL 26 12.926 1.142 -2.410 221 HG11 VAL 26 HG11 VAL 26 15.163 1.656 -3.301 222 HG12 VAL 26 HG12 VAL 26 13.886 2.017 -4.461 223 HG13 VAL 26 HG13 VAL 26 14.862 0.562 -4.650 224 HG21 VAL 26 HG21 VAL 26 12.815 -0.910 -4.614 225 HG22 VAL 26 HG22 VAL 26 11.862 0.573 -4.549 226 HG23 VAL 26 HG23 VAL 26 11.619 -0.684 -3.337 227 H TYR 27 HN TYR 27 16.540 -1.385 -2.154 228 HA TYR 27 HA TYR 27 17.328 0.074 0.152 229 HB2 TYR 27 HB2 TYR 27 18.721 -1.611 -1.841 230 HB3 TYR 27 HB1 TYR 27 19.688 -0.565 -0.831 231 HD1 TYR 27 HD2 TYR 27 17.059 -3.179 -0.634 232 HD2 TYR 27 HD1 TYR 27 20.320 -1.266 1.307 233 HE1 TYR 27 HE2 TYR 27 16.936 -4.829 1.180 234 HE2 TYR 27 HE1 TYR 27 20.202 -2.910 3.131 235 HH TYR 27 HH TYR 27 18.936 -4.535 4.069 236 H MET 28 HN MET 28 18.407 1.877 0.398 237 HA MET 28 HA MET 28 18.420 3.800 -1.735 238 HB2 MET 28 HB2 MET 28 19.110 3.878 1.192 239 HB3 MET 28 HB1 MET 28 19.405 5.241 0.143 240 HG2 MET 28 HG2 MET 28 16.748 3.967 0.699 241 HG3 MET 28 HG1 MET 28 17.336 5.486 1.364 242 HE1 MET 28 HE1 MET 28 17.632 7.693 0.016 243 HE2 MET 28 HE2 MET 28 17.406 7.838 -1.726 244 HE3 MET 28 HE3 MET 28 18.749 6.890 -1.086 245 H GLY 29 HN GLY 29 20.193 4.622 -2.756 246 HA2 GLY 29 HA2 GLY 29 22.601 3.040 -2.706 247 HA3 GLY 29 HA1 GLY 29 22.292 4.447 -3.717 248 H ASP 30 HN ASP 30 22.963 3.533 -0.361 249 HA ASP 30 HA ASP 30 24.942 5.632 -0.155 250 HB2 ASP 30 HB2 ASP 30 23.034 6.955 0.414 251 HB3 ASP 30 HB1 ASP 30 22.392 5.694 1.459 252 H SER 31 HN SER 31 22.960 3.509 1.922 253 HA SER 31 HA SER 31 25.423 2.276 2.899 254 HB2 SER 31 HB2 SER 31 24.654 4.187 4.409 255 HB3 SER 31 HB1 SER 31 23.256 3.187 4.795 256 HG SER 31 HG SER 31 25.956 2.828 5.454 257 H ASP 32 HN ASP 32 23.716 1.050 5.069 258 HA ASP 32 HA ASP 32 22.761 -1.203 3.476 259 HB2 ASP 32 HB2 ASP 32 22.646 -2.407 5.530 260 HB3 ASP 32 HB1 ASP 32 24.171 -1.535 5.544 261 H VAL 33 HN VAL 33 21.667 1.581 4.779 262 HA VAL 33 HA VAL 33 19.130 1.022 5.753 263 HB VAL 33 HB VAL 33 20.103 3.199 6.044 264 HG11 VAL 33 HG11 VAL 33 20.334 4.785 4.185 265 HG12 VAL 33 HG12 VAL 33 19.859 3.509 3.064 266 HG13 VAL 33 HG13 VAL 33 21.359 3.365 3.981 267 HG21 VAL 33 HG21 VAL 33 18.241 4.623 5.489 268 HG22 VAL 33 HG22 VAL 33 17.662 3.048 6.027 269 HG23 VAL 33 HG23 VAL 33 17.664 3.447 4.308 270 H TYR 34 HN TYR 34 17.133 1.016 4.830 271 HA TYR 34 HA TYR 34 16.998 0.810 1.911 272 HB2 TYR 34 HB2 TYR 34 15.391 -1.089 2.154 273 HB3 TYR 34 HB1 TYR 34 17.041 -1.477 2.613 274 HD1 TYR 34 HD2 TYR 34 13.612 -0.971 3.827 275 HD2 TYR 34 HD1 TYR 34 17.602 -1.958 4.932 276 HE1 TYR 34 HE2 TYR 34 12.802 -1.807 5.992 277 HE2 TYR 34 HE1 TYR 34 16.798 -2.798 7.099 278 HH TYR 34 HH TYR 34 14.852 -2.470 8.598 279 H THR 35 HN THR 35 14.762 0.814 1.136 280 HA THR 35 HA THR 35 13.088 2.598 2.773 281 HB THR 35 HB THR 35 12.856 2.664 -0.185 282 HG1 THR 35 HG1 THR 35 15.072 2.731 -0.031 283 HG21 THR 35 HG21 THR 35 11.497 4.072 1.383 284 HG22 THR 35 HG22 THR 35 12.414 4.998 0.197 285 HG23 THR 35 HG23 THR 35 12.991 4.881 1.858 286 H VAL 36 HN VAL 36 11.318 1.547 3.391 287 HA VAL 36 HA VAL 36 10.327 -0.659 1.752 288 HB VAL 36 HB VAL 36 10.524 -1.351 3.998 289 HG11 VAL 36 HG11 VAL 36 9.499 -0.101 5.893 290 HG12 VAL 36 HG12 VAL 36 9.170 1.223 4.774 291 HG13 VAL 36 HG13 VAL 36 10.834 0.739 5.104 292 HG21 VAL 36 HG21 VAL 36 8.244 -1.826 4.706 293 HG22 VAL 36 HG22 VAL 36 8.409 -2.011 2.960 294 HG23 VAL 36 HG23 VAL 36 7.634 -0.574 3.624 295 H HIS 37 HN HIS 37 8.781 -0.286 0.354 296 HA HIS 37 HA HIS 37 7.017 2.026 0.781 297 HB2 HIS 37 HB2 HIS 37 7.680 0.605 -1.798 298 HB3 HIS 37 HB1 HIS 37 6.636 1.998 -1.637 299 HD2 HIS 37 HD2 HIS 37 10.396 1.101 -1.788 300 HE1 HIS 37 HE1 HIS 37 10.007 5.312 -1.612 301 HE2 HIS 37 HE2 HIS 37 11.570 3.389 -2.144 302 H HIS 38 HN HIS 38 4.839 1.798 0.590 303 HA HIS 38 HA HIS 38 3.854 -0.954 0.755 304 HB2 HIS 38 HB2 HIS 38 2.464 1.629 1.514 305 HB3 HIS 38 HB1 HIS 38 1.846 0.003 1.784 306 HD2 HIS 38 HD2 HIS 38 3.944 2.631 3.521 307 HE1 HIS 38 HE1 HIS 38 4.633 -1.017 5.553 308 HE2 HIS 38 HE2 HIS 38 5.141 1.462 5.510 309 H MET 39 HN MET 39 3.467 -1.675 -1.233 310 HA MET 39 HA MET 39 1.887 0.050 -3.024 311 HB2 MET 39 HB2 MET 39 4.035 -0.167 -4.004 312 HB3 MET 39 HB1 MET 39 4.120 -1.883 -3.631 313 HG2 MET 39 HG2 MET 39 1.847 -1.275 -5.311 314 HG3 MET 39 HG1 MET 39 3.357 -0.731 -6.035 315 HE1 MET 39 HE1 MET 39 5.218 -3.829 -7.005 316 HE2 MET 39 HE2 MET 39 5.532 -2.379 -6.046 317 HE3 MET 39 HE3 MET 39 4.660 -2.256 -7.578 318 H VAL 40 HN VAL 40 0.068 -0.733 -3.841 319 HA VAL 40 HA VAL 40 -0.988 -3.219 -2.949 320 HB VAL 40 HB VAL 40 -2.686 -1.692 -3.358 321 HG11 VAL 40 HG11 VAL 40 -2.820 -0.310 -5.443 322 HG12 VAL 40 HG12 VAL 40 -1.204 -0.892 -5.851 323 HG13 VAL 40 HG13 VAL 40 -1.457 0.060 -4.387 324 HG21 VAL 40 HG21 VAL 40 -2.410 -3.562 -5.646 325 HG22 VAL 40 HG22 VAL 40 -3.663 -2.320 -5.728 326 HG23 VAL 40 HG23 VAL 40 -3.649 -3.481 -4.396 327 H TRP 41 HN TRP 41 -0.464 -5.130 -3.749 328 HA TRP 41 HA TRP 41 1.193 -5.292 -6.100 329 HB2 TRP 41 HB2 TRP 41 1.732 -6.556 -4.081 330 HB3 TRP 41 HB1 TRP 41 0.215 -7.446 -4.222 331 HD1 TRP 41 HD1 TRP 41 0.325 -9.642 -5.577 332 HE1 TRP 41 HE1 TRP 41 2.080 -10.767 -7.092 333 HE3 TRP 41 HE3 TRP 41 3.723 -5.833 -5.843 334 HZ2 TRP 41 HZ2 TRP 41 4.575 -10.118 -8.245 335 HZ3 TRP 41 HZ3 TRP 41 5.773 -6.166 -7.169 336 HH2 TRP 41 HH2 TRP 41 6.190 -8.266 -8.344 337 H HIS 42 HN HIS 42 -2.084 -6.221 -5.217 338 HA HIS 42 HA HIS 42 -2.689 -6.619 -8.036 339 HB2 HIS 42 HB2 HIS 42 -1.851 -8.839 -7.176 340 HB3 HIS 42 HB1 HIS 42 -3.165 -8.842 -6.013 341 HD2 HIS 42 HD2 HIS 42 -2.439 -9.831 -9.624 342 HE1 HIS 42 HE1 HIS 42 -6.605 -10.207 -9.003 343 HE2 HIS 42 HE2 HIS 42 -4.696 -10.631 -10.619 344 H VAL 43 HN VAL 43 -4.901 -6.573 -8.481 345 HA VAL 43 HA VAL 43 -6.668 -5.856 -6.244 346 HB VAL 43 HB VAL 43 -6.706 -4.547 -8.974 347 HG11 VAL 43 HG11 VAL 43 -8.329 -3.010 -7.917 348 HG12 VAL 43 HG12 VAL 43 -8.313 -4.028 -6.477 349 HG13 VAL 43 HG13 VAL 43 -8.908 -4.672 -8.006 350 HG21 VAL 43 HG21 VAL 43 -5.928 -2.524 -7.872 351 HG22 VAL 43 HG22 VAL 43 -4.758 -3.829 -7.663 352 HG23 VAL 43 HG23 VAL 43 -5.828 -3.381 -6.334 353 H GLU 44 HN GLU 44 -8.381 -7.166 -6.157 354 HA GLU 44 HA GLU 44 -8.868 -9.244 -7.916 355 HB2 GLU 44 HB2 GLU 44 -10.857 -7.948 -6.056 356 HB3 GLU 44 HB1 GLU 44 -10.847 -9.593 -6.629 357 HG2 GLU 44 HG2 GLU 44 -8.753 -8.412 -4.842 358 HG3 GLU 44 HG1 GLU 44 -10.124 -9.371 -4.291 359 H ASP 45 HN ASP 45 -9.964 -9.394 -9.768 360 HA ASP 45 HA ASP 45 -10.879 -7.132 -11.165 361 HB2 ASP 45 HB2 ASP 45 -11.322 -10.087 -11.614 362 HB3 ASP 45 HB1 ASP 45 -11.953 -8.860 -12.707 363 H GLY 46 HN GLY 46 -12.648 -5.982 -10.790 364 HA2 GLY 46 HA2 GLY 46 -14.917 -5.560 -10.512 365 HA3 GLY 46 HA1 GLY 46 -15.181 -7.290 -10.330 366 H GLY 47 HN GLY 47 -12.676 -6.156 -8.375 367 HA2 GLY 47 HA2 GLY 47 -14.253 -6.605 -5.997 368 HA3 GLY 47 HA1 GLY 47 -12.530 -6.261 -6.062 369 HA PRO 48 HA PRO 48 -15.206 -2.545 -4.587 370 HB2 PRO 48 HB2 PRO 48 -13.297 -2.945 -2.330 371 HB3 PRO 48 HB1 PRO 48 -15.001 -2.468 -2.271 372 HG2 PRO 48 HG2 PRO 48 -14.345 -4.894 -1.598 373 HG3 PRO 48 HG1 PRO 48 -15.683 -4.655 -2.730 374 HD2 PRO 48 HD2 PRO 48 -12.855 -5.395 -3.344 375 HD3 PRO 48 HD1 PRO 48 -14.350 -6.142 -3.903 376 H ALA 49 HN ALA 49 -11.818 -3.228 -3.927 377 HA ALA 49 HA ALA 49 -10.891 -0.589 -4.119 378 HB1 ALA 49 HB1 ALA 49 -9.368 -3.132 -4.716 379 HB2 ALA 49 HB2 ALA 49 -9.536 -2.372 -3.133 380 HB3 ALA 49 HB3 ALA 49 -8.649 -1.551 -4.418 381 H SER 50 HN SER 50 -11.332 -3.044 -6.572 382 HA SER 50 HA SER 50 -10.058 -1.712 -8.707 383 HB2 SER 50 HB2 SER 50 -11.091 -4.171 -8.394 384 HB3 SER 50 HB1 SER 50 -12.443 -3.409 -9.231 385 HG SER 50 HG SER 50 -11.235 -3.151 -10.999 386 H GLU 51 HN GLU 51 -13.259 -1.656 -7.346 387 HA GLU 51 HA GLU 51 -14.394 -0.004 -9.413 388 HB2 GLU 51 HB2 GLU 51 -15.480 -0.728 -6.688 389 HB3 GLU 51 HB1 GLU 51 -16.398 0.013 -7.998 390 HG2 GLU 51 HG2 GLU 51 -15.554 -2.121 -9.306 391 HG3 GLU 51 HG1 GLU 51 -15.454 -2.781 -7.676 392 H ALA 52 HN ALA 52 -12.718 0.461 -6.488 393 HA ALA 52 HA ALA 52 -13.591 3.171 -6.072 394 HB1 ALA 52 HB1 ALA 52 -11.324 1.648 -4.807 395 HB2 ALA 52 HB2 ALA 52 -12.978 1.728 -4.192 396 HB3 ALA 52 HB3 ALA 52 -11.986 3.188 -4.254 397 H GLY 53 HN GLY 53 -11.149 1.542 -7.867 398 HA2 GLY 53 HA2 GLY 53 -10.161 2.794 -9.700 399 HA3 GLY 53 HA1 GLY 53 -10.026 4.146 -8.598 400 H LEU 54 HN LEU 54 -9.183 1.360 -6.948 401 HA LEU 54 HA LEU 54 -6.441 2.145 -6.821 402 HB2 LEU 54 HB2 LEU 54 -8.133 0.573 -5.294 403 HB3 LEU 54 HB1 LEU 54 -6.980 -0.573 -5.931 404 HG LEU 54 HG LEU 54 -6.543 1.703 -4.044 405 HD11 LEU 54 HD11 LEU 54 -5.364 0.082 -2.769 406 HD12 LEU 54 HD12 LEU 54 -5.367 -1.061 -4.113 407 HD13 LEU 54 HD13 LEU 54 -6.881 -0.661 -3.296 408 HD21 LEU 54 HD21 LEU 54 -4.924 2.282 -5.637 409 HD22 LEU 54 HD22 LEU 54 -4.523 0.598 -5.964 410 HD23 LEU 54 HD23 LEU 54 -4.062 1.333 -4.428 411 H ARG 55 HN ARG 55 -4.757 1.429 -7.870 412 HA ARG 55 HA ARG 55 -5.084 -0.793 -9.778 413 HB2 ARG 55 HB2 ARG 55 -3.247 1.573 -10.148 414 HB3 ARG 55 HB1 ARG 55 -3.698 0.363 -11.345 415 HG2 ARG 55 HG2 ARG 55 -5.769 2.117 -10.098 416 HG3 ARG 55 HG1 ARG 55 -4.788 2.695 -11.440 417 HD2 ARG 55 HD2 ARG 55 -5.633 1.076 -12.904 418 HD3 ARG 55 HD1 ARG 55 -6.233 0.077 -11.584 419 HE ARG 55 HE ARG 55 -7.421 2.692 -12.247 420 HH11 ARG 55 HH11 ARG 55 -7.723 -0.719 -11.495 421 HH12 ARG 55 HH12 ARG 55 -9.457 -0.695 -11.493 422 HH21 ARG 55 HH21 ARG 55 -9.701 2.731 -12.225 423 HH22 ARG 55 HH22 ARG 55 -10.587 1.276 -11.890 424 H GLN 56 HN GLN 56 -3.543 -2.356 -9.747 425 HA GLN 56 HA GLN 56 -1.745 -2.402 -7.547 426 HB2 GLN 56 HB2 GLN 56 -0.881 -4.486 -9.056 427 HB3 GLN 56 HB1 GLN 56 -2.173 -4.560 -7.880 428 HG2 GLN 56 HG2 GLN 56 -3.776 -4.749 -9.425 429 HG3 GLN 56 HG1 GLN 56 -2.908 -3.776 -10.583 430 HE21 GLN 56 HE21 GLN 56 -1.370 -4.713 -11.921 431 HE22 GLN 56 HE22 GLN 56 -1.273 -6.425 -12.135 432 H GLY 57 HN GLY 57 0.313 -1.877 -7.397 433 HA2 GLY 57 HA2 GLY 57 2.532 -1.768 -8.305 434 HA3 GLY 57 HA1 GLY 57 1.835 -1.404 -9.871 435 H ASP 58 HN ASP 58 0.213 0.301 -7.490 436 HA ASP 58 HA ASP 58 1.547 2.776 -8.246 437 HB2 ASP 58 HB2 ASP 58 -0.826 2.320 -6.426 438 HB3 ASP 58 HB1 ASP 58 -0.218 3.891 -6.916 439 H LEU 59 HN LEU 59 1.107 4.261 -5.919 440 HA LEU 59 HA LEU 59 2.740 2.931 -3.933 441 HB2 LEU 59 HB2 LEU 59 3.311 5.440 -5.388 442 HB3 LEU 59 HB1 LEU 59 3.574 5.493 -3.658 443 HG LEU 59 HG LEU 59 4.904 3.649 -5.628 444 HD11 LEU 59 HD11 LEU 59 5.749 5.944 -5.625 445 HD12 LEU 59 HD12 LEU 59 6.935 4.822 -4.958 446 HD13 LEU 59 HD13 LEU 59 5.994 5.853 -3.881 447 HD21 LEU 59 HD21 LEU 59 6.268 3.023 -3.562 448 HD22 LEU 59 HD22 LEU 59 4.649 2.336 -3.702 449 HD23 LEU 59 HD23 LEU 59 4.936 3.705 -2.628 450 H ILE 60 HN ILE 60 1.521 2.852 -2.167 451 HA ILE 60 HA ILE 60 -0.580 4.784 -1.777 452 HB ILE 60 HB ILE 60 0.332 2.465 -0.059 453 HG12 ILE 60 HG12 ILE 60 -2.264 2.708 -1.575 454 HG13 ILE 60 HG11 ILE 60 -0.808 2.088 -2.348 455 HG21 ILE 60 HG21 ILE 60 -1.768 2.815 1.200 456 HG22 ILE 60 HG22 ILE 60 -2.028 4.306 0.295 457 HG23 ILE 60 HG23 ILE 60 -0.635 4.158 1.365 458 HD11 ILE 60 HD11 ILE 60 -0.695 0.313 -0.666 459 HD12 ILE 60 HD12 ILE 60 -2.208 0.285 -1.573 460 HD13 ILE 60 HD13 ILE 60 -2.175 0.933 0.066 461 H THR 61 HN THR 61 -0.092 6.727 -0.977 462 HA THR 61 HA THR 61 2.243 6.997 0.760 463 HB THR 61 HB THR 61 2.341 8.467 -1.100 464 HG1 THR 61 HG1 THR 61 1.933 9.534 1.423 465 HG21 THR 61 HG21 THR 61 0.613 10.118 -1.620 466 HG22 THR 61 HG22 THR 61 -0.394 9.480 -0.320 467 HG23 THR 61 HG23 THR 61 -0.023 8.475 -1.723 468 H HIS 62 HN HIS 62 -1.246 7.357 0.838 469 HA HIS 62 HA HIS 62 -1.050 7.794 3.721 470 HB2 HIS 62 HB2 HIS 62 -2.984 9.466 2.105 471 HB3 HIS 62 HB1 HIS 62 -2.623 9.589 3.815 472 HD2 HIS 62 HD2 HIS 62 -0.019 10.692 4.375 473 HE1 HIS 62 HE1 HIS 62 0.115 12.659 0.634 474 HE2 HIS 62 HE2 HIS 62 1.280 12.354 2.861 475 H VAL 63 HN VAL 63 -2.748 6.989 4.884 476 HA VAL 63 HA VAL 63 -4.881 5.627 3.371 477 HB VAL 63 HB VAL 63 -3.388 4.585 5.792 478 HG11 VAL 63 HG11 VAL 63 -5.868 4.230 5.877 479 HG12 VAL 63 HG12 VAL 63 -4.909 2.751 5.868 480 HG13 VAL 63 HG13 VAL 63 -5.720 3.285 4.395 481 HG21 VAL 63 HG21 VAL 63 -2.271 4.237 3.621 482 HG22 VAL 63 HG22 VAL 63 -3.711 3.408 3.031 483 HG23 VAL 63 HG23 VAL 63 -2.781 2.721 4.363 484 H ASN 64 HN ASN 64 -6.716 6.668 3.839 485 HA ASN 64 HA ASN 64 -8.381 7.715 4.972 486 HB2 ASN 64 HB2 ASN 64 -7.094 6.425 7.397 487 HB3 ASN 64 HB1 ASN 64 -8.668 7.215 7.392 488 HD21 ASN 64 HD21 ASN 64 -7.642 4.408 7.809 489 HD22 ASN 64 HD22 ASN 64 -8.654 3.439 6.804 490 H GLY 65 HN GLY 65 -5.864 9.016 4.436 491 HA2 GLY 65 HA2 GLY 65 -5.151 11.198 4.711 492 HA3 GLY 65 HA1 GLY 65 -6.262 11.360 6.062 493 H GLU 66 HN GLU 66 -4.203 8.636 6.231 494 HA GLU 66 HA GLU 66 -2.621 10.004 8.295 495 HB2 GLU 66 HB2 GLU 66 -2.919 7.035 7.906 496 HB3 GLU 66 HB1 GLU 66 -2.283 7.864 9.318 497 HG2 GLU 66 HG2 GLU 66 -5.091 8.339 8.461 498 HG3 GLU 66 HG1 GLU 66 -4.680 6.863 9.319 499 HA PRO 67 HA PRO 67 0.869 9.525 5.520 500 HB2 PRO 67 HB2 PRO 67 2.508 10.218 7.851 501 HB3 PRO 67 HB1 PRO 67 2.307 11.091 6.331 502 HG2 PRO 67 HG2 PRO 67 1.292 12.014 8.649 503 HG3 PRO 67 HG1 PRO 67 0.488 12.274 7.095 504 HD2 PRO 67 HD2 PRO 67 -0.130 10.282 9.225 505 HD3 PRO 67 HD1 PRO 67 -1.239 11.263 8.250 506 H VAL 68 HN VAL 68 1.345 7.451 5.100 507 HA VAL 68 HA VAL 68 2.003 5.659 7.307 508 HB VAL 68 HB VAL 68 1.799 3.844 5.724 509 HG11 VAL 68 HG11 VAL 68 -0.578 4.094 5.159 510 HG12 VAL 68 HG12 VAL 68 -0.464 5.825 5.481 511 HG13 VAL 68 HG13 VAL 68 -0.230 4.666 6.790 512 HG21 VAL 68 HG21 VAL 68 1.150 4.221 3.396 513 HG22 VAL 68 HG22 VAL 68 2.726 4.934 3.740 514 HG23 VAL 68 HG23 VAL 68 1.296 5.961 3.633 515 H HIS 69 HN HIS 69 3.705 7.725 5.481 516 HA HIS 69 HA HIS 69 5.873 6.203 4.528 517 HB2 HIS 69 HB2 HIS 69 5.412 8.542 3.838 518 HB3 HIS 69 HB1 HIS 69 5.858 9.087 5.448 519 HD2 HIS 69 HD2 HIS 69 8.658 8.581 6.080 520 HE1 HIS 69 HE1 HIS 69 9.716 8.598 1.985 521 HE2 HIS 69 HE2 HIS 69 10.598 8.558 4.362 522 H GLY 70 HN GLY 70 6.828 4.809 5.894 523 HA2 GLY 70 HA2 GLY 70 8.787 4.849 7.420 524 HA3 GLY 70 HA1 GLY 70 7.834 5.921 8.432 525 H LEU 71 HN LEU 71 5.364 4.268 7.829 526 HA LEU 71 HA LEU 71 5.539 2.598 10.094 527 HB2 LEU 71 HB2 LEU 71 3.560 2.765 7.851 528 HB3 LEU 71 HB1 LEU 71 3.379 1.669 9.192 529 HG LEU 71 HG LEU 71 3.428 4.646 9.340 530 HD11 LEU 71 HD11 LEU 71 1.428 3.920 8.389 531 HD12 LEU 71 HD12 LEU 71 1.076 4.275 10.083 532 HD13 LEU 71 HD13 LEU 71 1.278 2.600 9.550 533 HD21 LEU 71 HD21 LEU 71 2.781 4.308 11.709 534 HD22 LEU 71 HD22 LEU 71 4.420 3.773 11.352 535 HD23 LEU 71 HD23 LEU 71 3.123 2.590 11.514 536 H VAL 72 HN VAL 72 4.948 0.350 10.106 537 HA VAL 72 HA VAL 72 6.586 -1.195 8.288 538 HB VAL 72 HB VAL 72 6.088 -3.077 9.757 539 HG11 VAL 72 HG11 VAL 72 7.883 -1.577 10.446 540 HG12 VAL 72 HG12 VAL 72 7.047 -2.231 11.852 541 HG13 VAL 72 HG13 VAL 72 6.729 -0.579 11.328 542 HG21 VAL 72 HG21 VAL 72 3.944 -1.256 10.691 543 HG22 VAL 72 HG22 VAL 72 4.727 -2.268 11.917 544 HG23 VAL 72 HG23 VAL 72 3.956 -3.018 10.520 545 H HIS 73 HN HIS 73 5.454 -3.382 7.633 546 HA HIS 73 HA HIS 73 3.453 -2.748 5.786 547 HB2 HIS 73 HB2 HIS 73 4.987 -4.675 5.599 548 HB3 HIS 73 HB1 HIS 73 4.132 -5.466 6.915 549 HD1 HIS 73 HD1 HIS 73 2.960 -3.867 3.634 550 HD2 HIS 73 HD2 HIS 73 2.499 -7.305 5.923 551 HE1 HIS 73 HE1 HIS 73 1.360 -5.355 2.367 552 H THR 74 HN THR 74 3.193 -4.233 8.997 553 HA THR 74 HA THR 74 0.389 -4.717 8.769 554 HB THR 74 HB THR 74 0.636 -4.933 11.343 555 HG1 THR 74 HG1 THR 74 2.777 -5.199 12.012 556 HG21 THR 74 HG21 THR 74 2.082 -6.742 9.406 557 HG22 THR 74 HG22 THR 74 0.375 -6.821 9.839 558 HG23 THR 74 HG23 THR 74 1.608 -7.186 11.046 559 H GLU 75 HN GLU 75 2.266 -1.996 10.079 560 HA GLU 75 HA GLU 75 0.253 -0.835 11.581 561 HB2 GLU 75 HB2 GLU 75 2.561 0.436 10.120 562 HB3 GLU 75 HB1 GLU 75 1.449 1.315 11.102 563 HG2 GLU 75 HG2 GLU 75 2.859 -1.043 12.190 564 HG3 GLU 75 HG1 GLU 75 3.582 0.567 12.225 565 H VAL 76 HN VAL 76 1.015 -0.536 8.173 566 HA VAL 76 HA VAL 76 -1.087 1.354 7.692 567 HB VAL 76 HB VAL 76 -0.513 1.232 5.373 568 HG11 VAL 76 HG11 VAL 76 1.000 2.454 6.829 569 HG12 VAL 76 HG12 VAL 76 1.884 1.730 5.484 570 HG13 VAL 76 HG13 VAL 76 1.955 0.997 7.088 571 HG21 VAL 76 HG21 VAL 76 1.027 -0.379 4.437 572 HG22 VAL 76 HG22 VAL 76 -0.321 -1.230 5.192 573 HG23 VAL 76 HG23 VAL 76 1.239 -1.142 6.011 574 H VAL 77 HN VAL 77 -0.681 -2.133 7.404 575 HA VAL 77 HA VAL 77 -3.026 -2.771 6.019 576 HB VAL 77 HB VAL 77 -1.310 -4.251 7.997 577 HG11 VAL 77 HG11 VAL 77 -3.639 -4.960 8.439 578 HG12 VAL 77 HG12 VAL 77 -2.629 -6.248 7.786 579 HG13 VAL 77 HG13 VAL 77 -3.792 -5.426 6.743 580 HG21 VAL 77 HG21 VAL 77 -0.887 -5.693 6.070 581 HG22 VAL 77 HG22 VAL 77 -0.543 -4.006 5.693 582 HG23 VAL 77 HG23 VAL 77 -2.029 -4.754 5.107 583 H GLU 78 HN GLU 78 -2.434 -2.540 9.502 584 HA GLU 78 HA GLU 78 -5.063 -2.995 10.338 585 HB2 GLU 78 HB2 GLU 78 -2.954 -1.350 11.624 586 HB3 GLU 78 HB1 GLU 78 -4.379 -1.969 12.422 587 HG2 GLU 78 HG2 GLU 78 -3.602 -4.222 11.690 588 HG3 GLU 78 HG1 GLU 78 -2.062 -3.480 11.331 589 H LEU 79 HN LEU 79 -3.274 -0.069 9.819 590 HA LEU 79 HA LEU 79 -5.064 1.904 10.364 591 HB2 LEU 79 HB2 LEU 79 -2.693 1.725 8.933 592 HB3 LEU 79 HB1 LEU 79 -3.832 2.388 7.776 593 HG LEU 79 HG LEU 79 -4.401 4.095 9.626 594 HD11 LEU 79 HD11 LEU 79 -3.278 2.989 11.459 595 HD12 LEU 79 HD12 LEU 79 -2.515 4.550 11.147 596 HD13 LEU 79 HD13 LEU 79 -1.743 3.063 10.596 597 HD21 LEU 79 HD21 LEU 79 -2.110 3.934 7.783 598 HD22 LEU 79 HD22 LEU 79 -2.038 5.213 8.997 599 HD23 LEU 79 HD23 LEU 79 -3.407 5.129 7.885 600 H ILE 80 HN ILE 80 -4.774 0.342 7.146 601 HA ILE 80 HA ILE 80 -7.005 1.375 5.924 602 HB ILE 80 HB ILE 80 -5.812 -1.384 5.745 603 HG12 ILE 80 HG12 ILE 80 -5.383 0.809 3.782 604 HG13 ILE 80 HG11 ILE 80 -4.501 0.837 5.292 605 HG21 ILE 80 HG21 ILE 80 -7.732 0.017 3.906 606 HG22 ILE 80 HG22 ILE 80 -7.994 -1.474 4.814 607 HG23 ILE 80 HG23 ILE 80 -6.833 -1.442 3.484 608 HD11 ILE 80 HD11 ILE 80 -3.470 -1.212 4.845 609 HD12 ILE 80 HD12 ILE 80 -3.311 -0.234 3.382 610 HD13 ILE 80 HD13 ILE 80 -4.512 -1.527 3.458 611 H LEU 81 HN LEU 81 -6.767 -1.711 7.657 612 HA LEU 81 HA LEU 81 -9.407 -2.494 7.597 613 HB2 LEU 81 HB2 LEU 81 -7.272 -2.906 9.665 614 HB3 LEU 81 HB1 LEU 81 -8.847 -3.662 9.799 615 HG LEU 81 HG LEU 81 -7.109 -4.024 7.370 616 HD11 LEU 81 HD11 LEU 81 -6.392 -6.155 8.360 617 HD12 LEU 81 HD12 LEU 81 -7.179 -5.704 9.872 618 HD13 LEU 81 HD13 LEU 81 -5.812 -4.763 9.275 619 HD21 LEU 81 HD21 LEU 81 -8.472 -6.021 7.063 620 HD22 LEU 81 HD22 LEU 81 -9.483 -4.580 7.142 621 HD23 LEU 81 HD23 LEU 81 -9.366 -5.652 8.537 622 H LYS 82 HN LYS 82 -7.886 -0.326 9.968 623 HA LYS 82 HA LYS 82 -10.095 -0.109 11.664 624 HB2 LYS 82 HB2 LYS 82 -7.777 1.742 11.239 625 HB3 LYS 82 HB1 LYS 82 -8.930 1.874 12.567 626 HG2 LYS 82 HG2 LYS 82 -8.345 -0.564 13.036 627 HG3 LYS 82 HG1 LYS 82 -6.964 -0.279 12.004 628 HD2 LYS 82 HD2 LYS 82 -7.556 1.582 14.268 629 HD3 LYS 82 HD1 LYS 82 -6.721 0.060 14.570 630 HE2 LYS 82 HE2 LYS 82 -5.021 0.718 12.884 631 HE3 LYS 82 HE1 LYS 82 -5.830 2.278 12.729 632 HZ1 LYS 82 HZ1 LYS 82 -5.364 2.758 15.015 633 HZ2 LYS 82 HZ2 LYS 82 -3.919 2.319 14.258 634 HZ3 LYS 82 HZ3 LYS 82 -4.712 1.218 15.264 635 H SER 83 HN SER 83 -9.789 1.172 8.555 636 HA SER 83 HA SER 83 -10.895 3.684 8.679 637 HB2 SER 83 HB2 SER 83 -11.792 3.211 6.401 638 HB3 SER 83 HB1 SER 83 -10.102 2.753 6.598 639 HG SER 83 HG SER 83 -10.608 0.697 6.421 640 H GLY 84 HN GLY 84 -12.794 0.732 8.030 641 HA2 GLY 84 HA2 GLY 84 -14.811 0.151 9.122 642 HA3 GLY 84 HA1 GLY 84 -14.960 1.812 9.678 643 H ASN 85 HN ASN 85 -15.846 -0.462 7.341 644 HA ASN 85 HA ASN 85 -17.444 -0.444 5.733 645 HB2 ASN 85 HB2 ASN 85 -18.918 1.010 6.811 646 HB3 ASN 85 HB1 ASN 85 -17.798 2.364 6.734 647 HD21 ASN 85 HD21 ASN 85 -19.564 0.199 4.524 648 HD22 ASN 85 HD22 ASN 85 -19.994 1.438 3.407 649 H LYS 86 HN LYS 86 -15.308 2.402 5.547 650 HA LYS 86 HA LYS 86 -14.470 1.550 2.937 651 HB2 LYS 86 HB2 LYS 86 -14.792 3.778 1.953 652 HB3 LYS 86 HB1 LYS 86 -16.280 2.946 2.315 653 HG2 LYS 86 HG2 LYS 86 -16.177 4.256 4.544 654 HG3 LYS 86 HG1 LYS 86 -15.065 5.281 3.645 655 HD2 LYS 86 HD2 LYS 86 -16.897 5.361 1.857 656 HD3 LYS 86 HD1 LYS 86 -17.953 4.730 3.122 657 HE2 LYS 86 HE2 LYS 86 -17.418 6.637 4.537 658 HE3 LYS 86 HE1 LYS 86 -16.322 7.257 3.303 659 HZ1 LYS 86 HZ1 LYS 86 -19.222 6.837 2.861 660 HZ2 LYS 86 HZ2 LYS 86 -18.132 7.633 1.843 661 HZ3 LYS 86 HZ3 LYS 86 -18.548 8.316 3.330 662 H VAL 87 HN VAL 87 -12.619 2.476 2.250 663 HA VAL 87 HA VAL 87 -11.146 4.041 4.261 664 HB VAL 87 HB VAL 87 -10.474 1.771 4.612 665 HG11 VAL 87 HG11 VAL 87 -11.216 0.899 2.433 666 HG12 VAL 87 HG12 VAL 87 -9.596 0.346 2.866 667 HG13 VAL 87 HG13 VAL 87 -9.798 1.635 1.679 668 HG21 VAL 87 HG21 VAL 87 -8.055 1.895 4.060 669 HG22 VAL 87 HG22 VAL 87 -8.680 3.384 4.765 670 HG23 VAL 87 HG23 VAL 87 -8.395 3.283 3.029 671 H ALA 88 HN ALA 88 -10.066 5.706 3.454 672 HA ALA 88 HA ALA 88 -9.998 6.043 0.551 673 HB1 ALA 88 HB1 ALA 88 -10.904 7.908 1.763 674 HB2 ALA 88 HB2 ALA 88 -9.352 8.374 1.061 675 HB3 ALA 88 HB3 ALA 88 -9.465 7.990 2.782 676 H ILE 89 HN ILE 89 -8.294 5.277 -0.410 677 HA ILE 89 HA ILE 89 -5.711 5.336 0.985 678 HB ILE 89 HB ILE 89 -6.364 3.729 -1.477 679 HG12 ILE 89 HG12 ILE 89 -7.058 3.247 1.364 680 HG13 ILE 89 HG11 ILE 89 -7.806 2.649 -0.101 681 HG21 ILE 89 HG21 ILE 89 -4.070 3.855 -1.258 682 HG22 ILE 89 HG22 ILE 89 -4.476 2.341 -0.446 683 HG23 ILE 89 HG23 ILE 89 -4.136 3.789 0.502 684 HD11 ILE 89 HD11 ILE 89 -6.933 0.809 1.149 685 HD12 ILE 89 HD12 ILE 89 -5.339 1.564 1.210 686 HD13 ILE 89 HD13 ILE 89 -5.991 1.003 -0.330 687 H SER 90 HN SER 90 -4.502 7.024 0.456 688 HA SER 90 HA SER 90 -4.838 8.417 -2.037 689 HB2 SER 90 HB2 SER 90 -2.689 8.834 0.046 690 HB3 SER 90 HB1 SER 90 -3.260 9.989 -1.156 691 HG SER 90 HG SER 90 -4.438 10.604 0.503 692 H THR 91 HN THR 91 -3.997 7.638 -3.846 693 HA THR 91 HA THR 91 -1.543 6.060 -3.714 694 HB THR 91 HB THR 91 -2.223 5.517 -6.152 695 HG1 THR 91 HG1 THR 91 -4.528 5.715 -6.456 696 HG21 THR 91 HG21 THR 91 -2.374 3.825 -4.479 697 HG22 THR 91 HG22 THR 91 -3.911 3.824 -5.350 698 HG23 THR 91 HG23 THR 91 -3.795 4.578 -3.758 699 H THR 92 HN THR 92 -0.161 6.257 -5.691 700 HA THR 92 HA THR 92 -0.033 8.667 -7.168 701 HB THR 92 HB THR 92 0.697 9.657 -5.069 702 HG1 THR 92 HG1 THR 92 2.598 10.524 -5.763 703 HG21 THR 92 HG21 THR 92 1.382 7.565 -3.959 704 HG22 THR 92 HG22 THR 92 2.583 8.849 -3.794 705 HG23 THR 92 HG23 THR 92 2.842 7.544 -4.952 706 HA PRO 93 HA PRO 93 2.272 5.997 -9.858 707 HB2 PRO 93 HB2 PRO 93 4.268 8.196 -10.043 708 HB3 PRO 93 HB1 PRO 93 3.494 7.284 -11.336 709 HG2 PRO 93 HG2 PRO 93 2.689 9.751 -10.784 710 HG3 PRO 93 HG1 PRO 93 1.506 8.489 -11.173 711 HD2 PRO 93 HD2 PRO 93 2.191 9.694 -8.533 712 HD3 PRO 93 HD1 PRO 93 0.629 9.112 -9.138 713 H LEU 94 HN LEU 94 4.005 4.640 -9.886 714 HA LEU 94 HA LEU 94 5.834 4.832 -7.593 715 HB2 LEU 94 HB2 LEU 94 4.551 2.839 -7.387 716 HB3 LEU 94 HB1 LEU 94 4.745 2.451 -9.088 717 HG LEU 94 HG LEU 94 7.124 1.945 -8.716 718 HD11 LEU 94 HD11 LEU 94 7.480 3.485 -6.816 719 HD12 LEU 94 HD12 LEU 94 8.070 1.854 -6.504 720 HD13 LEU 94 HD13 LEU 94 6.551 2.392 -5.788 721 HD21 LEU 94 HD21 LEU 94 6.795 -0.092 -7.362 722 HD22 LEU 94 HD22 LEU 94 5.524 0.140 -8.563 723 HD23 LEU 94 HD23 LEU 94 5.214 0.515 -6.867 724 H GLU 95 HN GLU 95 6.753 6.430 -9.200 725 HA GLU 95 HA GLU 95 8.217 5.345 -11.417 726 HB2 GLU 95 HB2 GLU 95 8.671 8.028 -10.171 727 HB3 GLU 95 HB1 GLU 95 8.946 7.549 -11.831 728 HG2 GLU 95 HG2 GLU 95 6.183 7.557 -10.676 729 HG3 GLU 95 HG1 GLU 95 6.915 9.028 -11.317 730 H ASN 96 HN ASN 96 10.036 4.332 -11.227 731 HA ASN 96 HA ASN 96 11.979 5.095 -9.186 732 HB2 ASN 96 HB2 ASN 96 10.639 3.228 -8.244 733 HB3 ASN 96 HB1 ASN 96 11.085 2.233 -9.625 734 HD21 ASN 96 HD21 ASN 96 13.122 1.355 -9.731 735 HD22 ASN 96 HD22 ASN 96 14.238 1.402 -8.408 736 H2 PRO 97 HT1 PRO 97 15.400 -5.586 -6.201 737 H3 PRO 97 HT2 PRO 97 16.210 -5.158 -4.844 738 HA PRO 97 HA PRO 97 14.629 -3.876 -4.359 739 HB2 PRO 97 HB2 PRO 97 14.698 -2.030 -6.599 740 HB3 PRO 97 HB1 PRO 97 15.181 -1.765 -4.917 741 HG2 PRO 97 HG2 PRO 97 16.967 -1.929 -6.957 742 HG3 PRO 97 HG1 PRO 97 17.341 -2.422 -5.295 743 HD2 PRO 97 HD2 PRO 97 16.578 -4.124 -7.650 744 HD3 PRO 97 HD1 PRO 97 17.847 -4.393 -6.442 745 H PHE 98 HN PHE 98 12.601 -2.631 -5.267 746 HA PHE 98 HA PHE 98 10.549 -2.712 -6.195 747 HB2 PHE 98 HB2 PHE 98 12.002 -2.567 -8.311 748 HB3 PHE 98 HB1 PHE 98 11.663 -4.284 -8.508 749 HD1 PHE 98 HD2 PHE 98 10.104 -0.945 -8.287 750 HD2 PHE 98 HD1 PHE 98 9.607 -5.023 -9.389 751 HE1 PHE 98 HE2 PHE 98 7.979 -0.381 -9.390 752 HE2 PHE 98 HE1 PHE 98 7.482 -4.469 -10.498 753 HZ PHE 98 HZ PHE 98 6.664 -2.147 -10.501 754 H ASP 99 HN ASP 99 11.588 -5.793 -7.596 755 HA ASP 99 HA ASP 99 9.259 -7.140 -6.684 756 HB2 ASP 99 HB2 ASP 99 11.530 -7.724 -8.369 757 HB3 ASP 99 HB1 ASP 99 11.210 -9.076 -7.287 758 H GLU 100 HN GLU 100 12.639 -7.183 -5.684 759 HA GLU 100 HA GLU 100 11.958 -7.759 -2.968 760 HB2 GLU 100 HB2 GLU 100 12.262 -9.985 -4.606 761 HB3 GLU 100 HB1 GLU 100 13.840 -9.811 -3.853 762 HG2 GLU 100 HG2 GLU 100 11.259 -9.892 -2.315 763 HG3 GLU 100 HG1 GLU 100 12.253 -11.310 -2.648 764 H ASP 101 HN ASP 101 13.939 -7.766 -1.604 765 HA ASP 101 HA ASP 101 16.363 -6.829 -2.906 766 HB2 ASP 101 HB2 ASP 101 14.516 -4.944 -1.988 767 HB3 ASP 101 HB1 ASP 101 15.755 -5.008 -0.737 768 H GLN 102 HN GLN 102 14.661 -8.055 -0.170 769 HA GLN 102 HA GLN 102 16.850 -9.412 0.900 770 HB2 GLN 102 HB2 GLN 102 17.507 -7.025 1.495 771 HB3 GLN 102 HB1 GLN 102 16.133 -7.016 2.592 772 HG2 GLN 102 HG2 GLN 102 18.255 -7.502 3.725 773 HG3 GLN 102 HG1 GLN 102 17.089 -8.817 3.878 774 HE21 GLN 102 HE21 GLN 102 20.066 -7.777 2.408 775 HE22 GLN 102 HE22 GLN 102 20.600 -9.343 1.907 776 H HIS 103 HN HIS 103 13.940 -7.645 1.840 777 HA HIS 103 HA HIS 103 12.615 -10.062 2.642 778 HB2 HIS 103 HB2 HIS 103 14.019 -9.399 4.644 779 HB3 HIS 103 HB1 HIS 103 13.058 -7.930 4.742 780 HD2 HIS 103 HD2 HIS 103 11.679 -11.594 4.281 781 HE1 HIS 103 HE1 HIS 103 10.163 -9.910 7.853 782 HE2 HIS 103 HE2 HIS 103 10.203 -11.971 6.380 783 H THR 104 HN THR 104 10.697 -9.803 1.753 784 HA THR 104 HA THR 104 9.437 -7.138 1.813 785 HB THR 104 HB THR 104 8.179 -8.231 -0.269 786 HG1 THR 104 HG1 THR 104 10.791 -9.332 -0.518 787 HG21 THR 104 HG21 THR 104 9.516 -6.122 -0.227 788 HG22 THR 104 HG22 THR 104 9.665 -7.027 -1.734 789 HG23 THR 104 HG23 THR 104 10.961 -7.084 -0.538 790 H GLN 105 HN GLN 105 7.091 -7.141 1.959 791 HA GLN 105 HA GLN 105 6.080 -9.576 3.280 792 HB2 GLN 105 HB2 GLN 105 5.839 -6.708 3.957 793 HB3 GLN 105 HB1 GLN 105 4.396 -7.681 4.190 794 HG2 GLN 105 HG2 GLN 105 5.405 -7.785 6.246 795 HG3 GLN 105 HG1 GLN 105 5.965 -9.271 5.483 796 HE21 GLN 105 HE21 GLN 105 8.109 -9.506 4.993 797 HE22 GLN 105 HE22 GLN 105 9.324 -8.396 5.525 798 H ILE 106 HN ILE 106 3.711 -9.840 3.187 799 HA ILE 106 HA ILE 106 2.261 -8.576 1.048 800 HB ILE 106 HB ILE 106 3.311 -10.133 -0.381 801 HG12 ILE 106 HG12 ILE 106 0.683 -11.356 0.490 802 HG13 ILE 106 HG11 ILE 106 0.882 -10.057 -0.679 803 HG21 ILE 106 HG21 ILE 106 3.621 -12.474 0.066 804 HG22 ILE 106 HG22 ILE 106 2.736 -12.337 1.586 805 HG23 ILE 106 HG23 ILE 106 4.292 -11.531 1.397 806 HD11 ILE 106 HD11 ILE 106 1.771 -12.916 -0.974 807 HD12 ILE 106 HD12 ILE 106 2.155 -11.631 -2.117 808 HD13 ILE 106 HD13 ILE 106 0.477 -12.099 -1.850 809 H THR 107 HN THR 107 0.307 -8.264 1.906 810 HA THR 107 HA THR 107 -0.936 -10.444 3.408 811 HB THR 107 HB THR 107 -0.690 -7.616 4.463 812 HG1 THR 107 HG1 THR 107 1.181 -8.756 4.878 813 HG21 THR 107 HG21 THR 107 -1.886 -8.440 6.433 814 HG22 THR 107 HG22 THR 107 -2.076 -10.017 5.669 815 HG23 THR 107 HG23 THR 107 -2.879 -8.605 4.986 816 H LYS 108 HN LYS 108 -3.013 -10.672 3.068 817 HA LYS 108 HA LYS 108 -4.335 -9.042 1.098 818 HB2 LYS 108 HB2 LYS 108 -5.475 -11.275 2.791 819 HB3 LYS 108 HB1 LYS 108 -6.124 -10.670 1.280 820 HG2 LYS 108 HG2 LYS 108 -4.240 -11.561 0.063 821 HG3 LYS 108 HG1 LYS 108 -3.477 -12.067 1.572 822 HD2 LYS 108 HD2 LYS 108 -5.670 -13.397 1.946 823 HD3 LYS 108 HD1 LYS 108 -5.900 -13.184 0.209 824 HE2 LYS 108 HE2 LYS 108 -4.809 -15.295 0.615 825 HE3 LYS 108 HE1 LYS 108 -3.675 -14.192 -0.165 826 HZ1 LYS 108 HZ1 LYS 108 -2.654 -15.413 1.665 827 HZ2 LYS 108 HZ2 LYS 108 -3.775 -14.763 2.748 828 HZ3 LYS 108 HZ3 LYS 108 -2.666 -13.754 1.977 829 H VAL 109 HN VAL 109 -5.718 -7.331 1.554 830 HA VAL 109 HA VAL 109 -6.635 -7.164 4.336 831 HB VAL 109 HB VAL 109 -4.732 -5.665 4.137 832 HG11 VAL 109 HG11 VAL 109 -4.885 -5.327 1.685 833 HG12 VAL 109 HG12 VAL 109 -4.628 -3.839 2.597 834 HG13 VAL 109 HG13 VAL 109 -6.230 -4.221 1.961 835 HG21 VAL 109 HG21 VAL 109 -7.276 -4.055 4.165 836 HG22 VAL 109 HG22 VAL 109 -5.742 -3.638 4.926 837 HG23 VAL 109 HG23 VAL 109 -6.678 -5.009 5.521 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 3.757 21.555 0.905 2 H2 GLY 1 HT2 GLY 1 4.285 21.997 -0.639 3 H3 GLY 1 HT3 GLY 1 4.856 20.573 0.074 4 HA2 GLY 1 HA1 GLY 1 2.048 21.089 -0.705 5 HA3 GLY 1 HA2 GLY 1 3.190 20.123 -1.625 6 H GLY 2 HN GLY 2 0.600 19.487 -0.277 7 HA2 GLY 2 HA2 GLY 2 1.573 17.090 1.115 8 HA3 GLY 2 HA1 GLY 2 0.391 18.114 1.920 9 H SER 3 HN SER 3 -1.532 18.673 0.403 10 HA SER 3 HA SER 3 -2.572 16.120 -0.541 11 HB2 SER 3 HB2 SER 3 -4.007 18.760 -0.141 12 HB3 SER 3 HB1 SER 3 -4.763 17.202 -0.471 13 HG SER 3 HG SER 3 -4.658 16.771 1.569 14 H MET 4 HN MET 4 -1.814 15.775 -2.567 15 HA MET 4 HA MET 4 -2.667 17.676 -4.627 16 HB2 MET 4 HB2 MET 4 -0.320 18.186 -4.256 17 HB3 MET 4 HB1 MET 4 0.109 16.489 -4.428 18 HG2 MET 4 HG2 MET 4 0.619 17.842 -6.427 19 HG3 MET 4 HG1 MET 4 -0.489 16.508 -6.746 20 HE1 MET 4 HE1 MET 4 -1.429 17.297 -8.921 21 HE2 MET 4 HE2 MET 4 -0.294 18.646 -8.964 22 HE3 MET 4 HE3 MET 4 -2.009 18.924 -9.270 23 H ARG 5 HN ARG 5 -1.336 14.450 -3.955 24 HA ARG 5 HA ARG 5 -2.283 13.411 -6.472 25 HB2 ARG 5 HB2 ARG 5 -0.764 12.343 -4.156 26 HB3 ARG 5 HB1 ARG 5 -1.630 11.189 -5.156 27 HG2 ARG 5 HG2 ARG 5 0.702 11.431 -5.842 28 HG3 ARG 5 HG1 ARG 5 -0.411 11.929 -7.118 29 HD2 ARG 5 HD2 ARG 5 0.085 14.180 -6.844 30 HD3 ARG 5 HD1 ARG 5 0.686 13.950 -5.208 31 HE ARG 5 HE ARG 5 2.143 13.060 -7.614 32 HH11 ARG 5 HH11 ARG 5 2.089 14.429 -4.385 33 HH12 ARG 5 HH12 ARG 5 3.802 14.695 -4.332 34 HH21 ARG 5 HH21 ARG 5 4.409 13.385 -7.527 35 HH22 ARG 5 HH22 ARG 5 5.119 14.077 -6.103 36 HA PRO 6 HA PRO 6 -6.383 12.611 -4.917 37 HB2 PRO 6 HB2 PRO 6 -7.248 11.161 -7.054 38 HB3 PRO 6 HB1 PRO 6 -7.115 12.918 -7.069 39 HG2 PRO 6 HG2 PRO 6 -5.229 10.859 -8.121 40 HG3 PRO 6 HG1 PRO 6 -5.804 12.353 -8.866 41 HD2 PRO 6 HD2 PRO 6 -3.397 12.193 -7.681 42 HD3 PRO 6 HD1 PRO 6 -4.360 13.682 -7.634 43 HA PRO 7 HA PRO 7 -5.468 8.634 -3.059 44 HB2 PRO 7 HB2 PRO 7 -8.181 8.830 -1.958 45 HB3 PRO 7 HB1 PRO 7 -6.636 8.719 -1.113 46 HG2 PRO 7 HG2 PRO 7 -8.085 10.980 -1.162 47 HG3 PRO 7 HG1 PRO 7 -6.312 10.996 -1.140 48 HD2 PRO 7 HD2 PRO 7 -8.184 11.439 -3.429 49 HD3 PRO 7 HD1 PRO 7 -6.652 12.253 -3.052 50 H ILE 8 HN ILE 8 -6.188 6.531 -3.154 51 HA ILE 8 HA ILE 8 -7.957 5.920 -5.390 52 HB ILE 8 HB ILE 8 -6.163 4.095 -3.795 53 HG12 ILE 8 HG12 ILE 8 -5.074 6.027 -5.118 54 HG13 ILE 8 HG11 ILE 8 -4.464 4.398 -5.360 55 HG21 ILE 8 HG21 ILE 8 -7.758 2.751 -4.842 56 HG22 ILE 8 HG22 ILE 8 -6.361 2.700 -5.916 57 HG23 ILE 8 HG23 ILE 8 -7.742 3.722 -6.313 58 HD11 ILE 8 HD11 ILE 8 -5.545 4.207 -7.451 59 HD12 ILE 8 HD12 ILE 8 -4.729 5.772 -7.427 60 HD13 ILE 8 HD13 ILE 8 -6.474 5.681 -7.177 61 H ILE 9 HN ILE 9 -9.992 6.271 -4.364 62 HA ILE 9 HA ILE 9 -10.688 5.109 -1.878 63 HB ILE 9 HB ILE 9 -12.352 6.240 -4.122 64 HG12 ILE 9 HG12 ILE 9 -12.729 8.086 -2.700 65 HG13 ILE 9 HG11 ILE 9 -12.010 7.283 -1.325 66 HG21 ILE 9 HG21 ILE 9 -13.220 4.958 -1.565 67 HG22 ILE 9 HG22 ILE 9 -13.843 4.716 -3.197 68 HG23 ILE 9 HG23 ILE 9 -14.195 6.213 -2.332 69 HD11 ILE 9 HD11 ILE 9 -9.829 7.414 -2.579 70 HD12 ILE 9 HD12 ILE 9 -10.507 8.947 -2.033 71 HD13 ILE 9 HD13 ILE 9 -10.659 8.468 -3.723 72 H ILE 10 HN ILE 10 -10.355 2.964 -1.797 73 HA ILE 10 HA ILE 10 -11.466 1.213 -3.834 74 HB ILE 10 HB ILE 10 -9.895 0.489 -1.366 75 HG12 ILE 10 HG12 ILE 10 -8.850 0.712 -4.173 76 HG13 ILE 10 HG11 ILE 10 -8.777 2.055 -3.045 77 HG21 ILE 10 HG21 ILE 10 -11.024 -1.426 -2.168 78 HG22 ILE 10 HG22 ILE 10 -9.382 -1.541 -2.803 79 HG23 ILE 10 HG23 ILE 10 -10.695 -1.007 -3.849 80 HD11 ILE 10 HD11 ILE 10 -6.674 0.854 -3.117 81 HD12 ILE 10 HD12 ILE 10 -7.498 -0.643 -2.679 82 HD13 ILE 10 HD13 ILE 10 -7.428 0.692 -1.529 83 H HIS 11 HN HIS 11 -13.245 0.083 -3.592 84 HA HIS 11 HA HIS 11 -14.818 0.385 -1.170 85 HB2 HIS 11 HB2 HIS 11 -15.338 -0.781 -3.903 86 HB3 HIS 11 HB1 HIS 11 -16.495 -0.955 -2.586 87 HD2 HIS 11 HD2 HIS 11 -15.448 2.391 -1.886 88 HE1 HIS 11 HE1 HIS 11 -18.157 2.890 -5.091 89 HE2 HIS 11 HE2 HIS 11 -16.786 4.085 -3.325 90 H ARG 12 HN ARG 12 -15.453 -1.307 0.158 91 HA ARG 12 HA ARG 12 -13.630 -3.430 0.491 92 HB2 ARG 12 HB2 ARG 12 -15.186 -4.130 2.266 93 HB3 ARG 12 HB1 ARG 12 -14.851 -2.412 2.335 94 HG2 ARG 12 HG2 ARG 12 -16.964 -1.871 1.418 95 HG3 ARG 12 HG1 ARG 12 -17.282 -3.557 1.003 96 HD2 ARG 12 HD2 ARG 12 -17.229 -4.123 3.381 97 HD3 ARG 12 HD1 ARG 12 -17.007 -2.428 3.778 98 HE ARG 12 HE ARG 12 -19.352 -3.065 2.189 99 HH11 ARG 12 HH11 ARG 12 -18.041 -2.465 5.387 100 HH12 ARG 12 HH12 ARG 12 -19.591 -2.122 6.090 101 HH21 ARG 12 HH21 ARG 12 -21.385 -2.610 3.120 102 HH22 ARG 12 HH22 ARG 12 -21.484 -2.198 4.803 103 H ALA 13 HN ALA 13 -13.796 -5.599 0.076 104 HA ALA 13 HA ALA 13 -16.125 -6.512 -1.477 105 HB1 ALA 13 HB1 ALA 13 -14.567 -7.915 -2.807 106 HB2 ALA 13 HB2 ALA 13 -13.215 -7.100 -2.019 107 HB3 ALA 13 HB3 ALA 13 -14.325 -6.185 -3.040 108 H GLY 14 HN GLY 14 -16.887 -7.283 0.576 109 HA2 GLY 14 HA2 GLY 14 -17.368 -9.133 1.877 110 HA3 GLY 14 HA1 GLY 14 -16.049 -9.987 1.085 111 H LYS 15 HN LYS 15 -13.871 -9.478 1.753 112 HA LYS 15 HA LYS 15 -13.651 -8.271 4.409 113 HB2 LYS 15 HB2 LYS 15 -13.296 -11.111 3.792 114 HB3 LYS 15 HB1 LYS 15 -11.926 -10.398 4.628 115 HG2 LYS 15 HG2 LYS 15 -13.197 -11.113 6.393 116 HG3 LYS 15 HG1 LYS 15 -13.770 -9.459 6.208 117 HD2 LYS 15 HD2 LYS 15 -15.573 -10.394 4.720 118 HD3 LYS 15 HD1 LYS 15 -15.106 -11.983 5.322 119 HE2 LYS 15 HE2 LYS 15 -16.921 -11.252 6.665 120 HE3 LYS 15 HE1 LYS 15 -15.464 -11.087 7.643 121 HZ1 LYS 15 HZ1 LYS 15 -16.720 -8.855 6.133 122 HZ2 LYS 15 HZ2 LYS 15 -15.439 -8.743 7.233 123 HZ3 LYS 15 HZ3 LYS 15 -16.986 -9.160 7.775 124 H LYS 16 HN LYS 16 -12.544 -8.476 1.292 125 HA LYS 16 HA LYS 16 -9.951 -7.348 2.091 126 HB2 LYS 16 HB2 LYS 16 -10.442 -9.354 -0.110 127 HB3 LYS 16 HB1 LYS 16 -8.979 -8.391 0.002 128 HG2 LYS 16 HG2 LYS 16 -8.587 -9.359 2.255 129 HG3 LYS 16 HG1 LYS 16 -9.973 -10.417 1.988 130 HD2 LYS 16 HD2 LYS 16 -8.219 -11.765 1.338 131 HD3 LYS 16 HD1 LYS 16 -8.717 -11.060 -0.199 132 HE2 LYS 16 HE2 LYS 16 -6.536 -9.870 1.499 133 HE3 LYS 16 HE1 LYS 16 -6.218 -11.114 0.295 134 HZ1 LYS 16 HZ1 LYS 16 -5.867 -9.237 -0.923 135 HZ2 LYS 16 HZ2 LYS 16 -7.003 -8.312 -0.080 136 HZ3 LYS 16 HZ3 LYS 16 -7.516 -9.449 -1.230 137 H TYR 17 HN TYR 17 -8.915 -6.140 0.191 138 HA TYR 17 HA TYR 17 -11.017 -4.543 -1.113 139 HB2 TYR 17 HB2 TYR 17 -8.146 -3.815 -0.522 140 HB3 TYR 17 HB1 TYR 17 -9.343 -2.757 -1.262 141 HD1 TYR 17 HD1 TYR 17 -11.186 -1.842 0.072 142 HD2 TYR 17 HD2 TYR 17 -8.182 -4.288 1.810 143 HE1 TYR 17 HE1 TYR 17 -11.913 -1.120 2.306 144 HE2 TYR 17 HE2 TYR 17 -8.879 -3.605 4.040 145 HH TYR 17 HH TYR 17 -10.103 -1.524 5.034 146 H GLY 18 HN GLY 18 -8.760 -6.893 -1.781 147 HA2 GLY 18 HA2 GLY 18 -8.598 -7.859 -3.937 148 HA3 GLY 18 HA1 GLY 18 -9.033 -6.313 -4.616 149 H PHE 19 HN PHE 19 -6.567 -6.236 -2.237 150 HA PHE 19 HA PHE 19 -4.533 -6.534 -4.281 151 HB2 PHE 19 HB2 PHE 19 -3.468 -4.449 -3.982 152 HB3 PHE 19 HB1 PHE 19 -5.154 -4.134 -4.298 153 HD1 PHE 19 HD1 PHE 19 -6.631 -3.365 -2.419 154 HD2 PHE 19 HD2 PHE 19 -2.414 -3.761 -2.003 155 HE1 PHE 19 HE1 PHE 19 -6.692 -1.911 -0.432 156 HE2 PHE 19 HE2 PHE 19 -2.467 -2.316 -0.013 157 HZ PHE 19 HZ PHE 19 -4.609 -1.389 0.774 158 H THR 20 HN THR 20 -2.367 -6.233 -3.470 159 HA THR 20 HA THR 20 -2.093 -7.575 -0.855 160 HB THR 20 HB THR 20 -0.285 -7.680 -3.271 161 HG1 THR 20 HG1 THR 20 -2.320 -8.909 -3.294 162 HG21 THR 20 HG21 THR 20 1.064 -9.286 -2.078 163 HG22 THR 20 HG22 THR 20 -0.029 -9.241 -0.695 164 HG23 THR 20 HG23 THR 20 0.951 -7.826 -1.090 165 H LEU 21 HN LEU 21 -1.223 -6.357 0.679 166 HA LEU 21 HA LEU 21 0.328 -4.001 -0.088 167 HB2 LEU 21 HB2 LEU 21 -1.547 -3.636 1.455 168 HB3 LEU 21 HB1 LEU 21 -0.860 -4.796 2.573 169 HG LEU 21 HG LEU 21 1.056 -3.331 2.953 170 HD11 LEU 21 HD11 LEU 21 1.278 -2.263 0.825 171 HD12 LEU 21 HD12 LEU 21 1.001 -1.018 2.042 172 HD13 LEU 21 HD13 LEU 21 -0.313 -1.520 0.980 173 HD21 LEU 21 HD21 LEU 21 -1.633 -2.026 3.257 174 HD22 LEU 21 HD22 LEU 21 -0.157 -1.454 4.032 175 HD23 LEU 21 HD23 LEU 21 -0.799 -3.049 4.425 176 H ARG 22 HN ARG 22 2.473 -3.908 0.276 177 HA ARG 22 HA ARG 22 3.628 -6.017 1.953 178 HB2 ARG 22 HB2 ARG 22 4.400 -5.267 -0.849 179 HB3 ARG 22 HB1 ARG 22 5.503 -6.104 0.222 180 HG2 ARG 22 HG2 ARG 22 3.245 -7.644 0.393 181 HG3 ARG 22 HG1 ARG 22 3.213 -7.092 -1.279 182 HD2 ARG 22 HD2 ARG 22 4.529 -9.230 -0.709 183 HD3 ARG 22 HD1 ARG 22 5.252 -8.044 -1.788 184 HE ARG 22 HE ARG 22 5.873 -7.922 1.072 185 HH11 ARG 22 HH11 ARG 22 6.920 -8.764 -2.152 186 HH12 ARG 22 HH12 ARG 22 8.607 -8.530 -1.801 187 HH21 ARG 22 HH21 ARG 22 8.081 -7.610 1.537 188 HH22 ARG 22 HH22 ARG 22 9.262 -7.875 0.291 189 H ALA 23 HN ALA 23 5.426 -5.498 3.074 190 HA ALA 23 HA ALA 23 6.140 -2.653 3.111 191 HB1 ALA 23 HB1 ALA 23 5.537 -3.094 5.274 192 HB2 ALA 23 HB2 ALA 23 7.247 -3.520 5.365 193 HB3 ALA 23 HB3 ALA 23 6.027 -4.784 5.184 194 H ILE 24 HN ILE 24 7.962 -2.126 2.163 195 HA ILE 24 HA ILE 24 10.054 -4.174 1.849 196 HB ILE 24 HB ILE 24 10.902 -2.609 0.010 197 HG12 ILE 24 HG12 ILE 24 8.052 -1.614 -0.003 198 HG13 ILE 24 HG11 ILE 24 9.345 -0.723 0.796 199 HG21 ILE 24 HG21 ILE 24 9.373 -3.570 -1.645 200 HG22 ILE 24 HG22 ILE 24 8.260 -4.014 -0.351 201 HG23 ILE 24 HG23 ILE 24 9.856 -4.759 -0.434 202 HD11 ILE 24 HD11 ILE 24 8.881 0.119 -1.450 203 HD12 ILE 24 HD12 ILE 24 9.282 -1.462 -2.121 204 HD13 ILE 24 HD13 ILE 24 10.524 -0.507 -1.308 205 H ARG 25 HN ARG 25 11.952 -3.883 2.811 206 HA ARG 25 HA ARG 25 12.393 -1.417 4.301 207 HB2 ARG 25 HB2 ARG 25 14.317 -2.720 5.304 208 HB3 ARG 25 HB1 ARG 25 12.711 -3.352 5.635 209 HG2 ARG 25 HG2 ARG 25 12.995 -5.152 4.154 210 HG3 ARG 25 HG1 ARG 25 14.398 -4.403 3.386 211 HD2 ARG 25 HD2 ARG 25 15.563 -4.596 5.616 212 HD3 ARG 25 HD1 ARG 25 14.208 -5.596 6.146 213 HE ARG 25 HE ARG 25 15.248 -6.593 3.719 214 HH11 ARG 25 HH11 ARG 25 16.056 -6.349 7.116 215 HH12 ARG 25 HH12 ARG 25 17.041 -7.777 7.116 216 HH21 ARG 25 HH21 ARG 25 16.555 -8.464 3.708 217 HH22 ARG 25 HH22 ARG 25 17.323 -8.977 5.175 218 H VAL 26 HN VAL 26 12.993 0.014 2.683 219 HA VAL 26 HA VAL 26 15.171 -0.659 0.895 220 HB VAL 26 HB VAL 26 13.660 1.936 1.256 221 HG11 VAL 26 HG11 VAL 26 15.639 1.114 -0.871 222 HG12 VAL 26 HG12 VAL 26 15.878 2.354 0.362 223 HG13 VAL 26 HG13 VAL 26 14.665 2.586 -0.897 224 HG21 VAL 26 HG21 VAL 26 13.430 -0.225 -0.833 225 HG22 VAL 26 HG22 VAL 26 12.570 1.314 -0.857 226 HG23 VAL 26 HG23 VAL 26 12.250 0.144 0.425 227 H TYR 27 HN TYR 27 17.213 -0.506 1.541 228 HA TYR 27 HA TYR 27 17.906 0.902 3.923 229 HB2 TYR 27 HB2 TYR 27 19.515 -0.583 1.882 230 HB3 TYR 27 HB1 TYR 27 20.250 0.232 3.244 231 HD1 TYR 27 HD1 TYR 27 19.645 -0.473 5.572 232 HD2 TYR 27 HD2 TYR 27 18.494 -2.718 2.148 233 HE1 TYR 27 HE1 TYR 27 19.199 -2.420 7.004 234 HE2 TYR 27 HE2 TYR 27 18.045 -4.672 3.572 235 HH TYR 27 HH TYR 27 18.778 -5.533 5.801 236 H MET 28 HN MET 28 18.868 2.764 4.179 237 HA MET 28 HA MET 28 18.922 4.596 1.955 238 HB2 MET 28 HB2 MET 28 19.160 4.854 4.937 239 HB3 MET 28 HB1 MET 28 19.530 6.193 3.878 240 HG2 MET 28 HG2 MET 28 16.913 4.738 4.004 241 HG3 MET 28 HG1 MET 28 17.256 6.286 4.756 242 HE1 MET 28 HE1 MET 28 15.359 4.828 2.093 243 HE2 MET 28 HE2 MET 28 16.881 4.371 1.329 244 HE3 MET 28 HE3 MET 28 15.831 5.562 0.560 245 H GLY 29 HN GLY 29 20.719 5.659 1.196 246 HA2 GLY 29 HA2 GLY 29 23.228 4.293 1.532 247 HA3 GLY 29 HA1 GLY 29 22.922 5.671 0.486 248 H ASP 30 HN ASP 30 23.161 4.837 3.918 249 HA ASP 30 HA ASP 30 24.923 7.109 4.354 250 HB2 ASP 30 HB2 ASP 30 22.911 8.244 4.831 251 HB3 ASP 30 HB1 ASP 30 22.197 6.834 5.606 252 H SER 31 HN SER 31 23.006 4.754 6.194 253 HA SER 31 HA SER 31 25.488 3.677 7.304 254 HB2 SER 31 HB2 SER 31 23.011 4.231 8.954 255 HB3 SER 31 HB1 SER 31 24.572 3.668 9.535 256 HG SER 31 HG SER 31 23.833 6.222 8.589 257 H ASP 32 HN ASP 32 23.435 2.152 9.102 258 HA ASP 32 HA ASP 32 22.947 0.019 7.138 259 HB2 ASP 32 HB2 ASP 32 24.265 -0.245 9.397 260 HB3 ASP 32 HB1 ASP 32 22.656 -0.333 10.101 261 H VAL 33 HN VAL 33 21.501 2.539 8.410 262 HA VAL 33 HA VAL 33 19.009 1.694 9.358 263 HB VAL 33 HB VAL 33 19.695 3.929 9.795 264 HG11 VAL 33 HG11 VAL 33 19.949 5.595 7.960 265 HG12 VAL 33 HG12 VAL 33 19.831 4.259 6.813 266 HG13 VAL 33 HG13 VAL 33 21.172 4.325 7.957 267 HG21 VAL 33 HG21 VAL 33 17.262 3.571 9.402 268 HG22 VAL 33 HG22 VAL 33 17.491 4.175 7.757 269 HG23 VAL 33 HG23 VAL 33 17.803 5.228 9.141 270 H TYR 34 HN TYR 34 17.064 1.507 8.423 271 HA TYR 34 HA TYR 34 16.966 1.379 5.488 272 HB2 TYR 34 HB2 TYR 34 15.391 -0.490 5.633 273 HB3 TYR 34 HB1 TYR 34 16.936 -0.904 6.346 274 HD1 TYR 34 HD2 TYR 34 13.416 -0.123 7.043 275 HD2 TYR 34 HD1 TYR 34 17.110 -1.440 8.701 276 HE1 TYR 34 HE2 TYR 34 12.243 -0.824 9.084 277 HE2 TYR 34 HE1 TYR 34 15.942 -2.150 10.744 278 HH TYR 34 HH TYR 34 13.970 -1.841 11.935 279 H THR 35 HN THR 35 14.778 1.501 4.676 280 HA THR 35 HA THR 35 13.024 3.172 6.339 281 HB THR 35 HB THR 35 13.456 3.677 3.396 282 HG1 THR 35 HG1 THR 35 15.005 4.418 5.598 283 HG21 THR 35 HG21 THR 35 12.772 6.021 4.272 284 HG22 THR 35 HG22 THR 35 12.167 5.138 5.676 285 HG23 THR 35 HG23 THR 35 11.521 4.792 4.070 286 H VAL 36 HN VAL 36 11.486 1.691 6.706 287 HA VAL 36 HA VAL 36 10.653 -0.187 4.711 288 HB VAL 36 HB VAL 36 10.577 -0.986 6.942 289 HG11 VAL 36 HG11 VAL 36 9.157 0.030 8.693 290 HG12 VAL 36 HG12 VAL 36 8.843 1.384 7.609 291 HG13 VAL 36 HG13 VAL 36 10.483 1.072 8.177 292 HG21 VAL 36 HG21 VAL 36 8.239 -1.650 7.236 293 HG22 VAL 36 HG22 VAL 36 8.754 -1.790 5.555 294 HG23 VAL 36 HG23 VAL 36 7.747 -0.432 6.059 295 H HIS 37 HN HIS 37 9.506 0.397 3.057 296 HA HIS 37 HA HIS 37 7.517 2.531 3.338 297 HB2 HIS 37 HB2 HIS 37 8.968 1.351 1.000 298 HB3 HIS 37 HB1 HIS 37 7.446 2.186 0.748 299 HD2 HIS 37 HD2 HIS 37 11.135 2.923 1.080 300 HE1 HIS 37 HE1 HIS 37 9.087 6.602 1.498 301 HE2 HIS 37 HE2 HIS 37 11.306 5.508 0.947 302 H HIS 38 HN HIS 38 5.435 2.237 2.423 303 HA HIS 38 HA HIS 38 4.527 -0.560 2.502 304 HB2 HIS 38 HB2 HIS 38 2.915 1.946 3.065 305 HB3 HIS 38 HB1 HIS 38 2.352 0.285 3.235 306 HD2 HIS 38 HD2 HIS 38 4.058 3.002 5.259 307 HE1 HIS 38 HE1 HIS 38 4.520 -0.609 7.410 308 HE2 HIS 38 HE2 HIS 38 4.970 1.883 7.409 309 H MET 39 HN MET 39 4.447 -1.232 0.471 310 HA MET 39 HA MET 39 3.111 0.506 -1.490 311 HB2 MET 39 HB2 MET 39 5.311 0.577 -2.228 312 HB3 MET 39 HB1 MET 39 5.651 -1.066 -1.706 313 HG2 MET 39 HG2 MET 39 3.637 -0.851 -3.825 314 HG3 MET 39 HG1 MET 39 5.246 -0.296 -4.281 315 HE1 MET 39 HE1 MET 39 7.364 -3.364 -4.523 316 HE2 MET 39 HE2 MET 39 7.444 -1.861 -3.600 317 HE3 MET 39 HE3 MET 39 6.914 -1.838 -5.287 318 H VAL 40 HN VAL 40 1.637 -0.396 -2.808 319 HA VAL 40 HA VAL 40 0.592 -2.972 -2.171 320 HB VAL 40 HB VAL 40 -1.079 -1.533 -2.908 321 HG11 VAL 40 HG11 VAL 40 -0.861 -0.182 -5.026 322 HG12 VAL 40 HG12 VAL 40 0.846 -0.627 -5.029 323 HG13 VAL 40 HG13 VAL 40 0.178 0.303 -3.686 324 HG21 VAL 40 HG21 VAL 40 -1.593 -2.233 -5.364 325 HG22 VAL 40 HG22 VAL 40 -1.630 -3.437 -4.074 326 HG23 VAL 40 HG23 VAL 40 -0.224 -3.325 -5.133 327 H TRP 41 HN TRP 41 1.415 -4.800 -2.851 328 HA TRP 41 HA TRP 41 3.518 -4.805 -4.839 329 HB2 TRP 41 HB2 TRP 41 3.733 -5.951 -2.668 330 HB3 TRP 41 HB1 TRP 41 2.434 -7.047 -3.135 331 HD1 TRP 41 HD1 TRP 41 3.064 -9.060 -4.705 332 HE1 TRP 41 HE1 TRP 41 5.310 -9.989 -5.563 333 HE3 TRP 41 HE3 TRP 41 6.111 -5.148 -3.437 334 HZ2 TRP 41 HZ2 TRP 41 8.014 -9.178 -5.672 335 HZ3 TRP 41 HZ3 TRP 41 8.515 -5.305 -3.944 336 HH2 TRP 41 HH2 TRP 41 9.445 -7.279 -5.039 337 H HIS 42 HN HIS 42 0.206 -5.858 -4.619 338 HA HIS 42 HA HIS 42 0.203 -6.463 -7.439 339 HB2 HIS 42 HB2 HIS 42 1.005 -8.595 -6.496 340 HB3 HIS 42 HB1 HIS 42 -0.370 -8.645 -5.403 341 HD2 HIS 42 HD2 HIS 42 0.335 -9.005 -9.253 342 HE1 HIS 42 HE1 HIS 42 -3.335 -10.867 -8.278 343 HE2 HIS 42 HE2 HIS 42 -1.537 -10.620 -10.042 344 H VAL 43 HN VAL 43 -1.884 -6.538 -8.310 345 HA VAL 43 HA VAL 43 -4.085 -5.928 -6.454 346 HB VAL 43 HB VAL 43 -3.700 -4.617 -9.157 347 HG11 VAL 43 HG11 VAL 43 -6.032 -4.885 -8.497 348 HG12 VAL 43 HG12 VAL 43 -5.556 -3.186 -8.466 349 HG13 VAL 43 HG13 VAL 43 -5.696 -4.092 -6.959 350 HG21 VAL 43 HG21 VAL 43 -2.033 -3.795 -7.571 351 HG22 VAL 43 HG22 VAL 43 -3.310 -3.429 -6.412 352 HG23 VAL 43 HG23 VAL 43 -3.232 -2.554 -7.940 353 H GLU 44 HN GLU 44 -5.854 -7.152 -6.769 354 HA GLU 44 HA GLU 44 -5.882 -9.350 -8.457 355 HB2 GLU 44 HB2 GLU 44 -8.029 -7.851 -6.967 356 HB3 GLU 44 HB1 GLU 44 -8.339 -9.328 -7.839 357 HG2 GLU 44 HG2 GLU 44 -6.351 -9.072 -5.611 358 HG3 GLU 44 HG1 GLU 44 -8.003 -9.654 -5.414 359 H ASP 45 HN ASP 45 -6.599 -9.685 -10.474 360 HA ASP 45 HA ASP 45 -6.989 -7.504 -12.232 361 HB2 ASP 45 HB2 ASP 45 -7.227 -10.483 -12.509 362 HB3 ASP 45 HB1 ASP 45 -7.770 -9.429 -13.812 363 H GLY 46 HN GLY 46 -8.721 -6.248 -11.992 364 HA2 GLY 46 HA2 GLY 46 -10.968 -5.731 -12.431 365 HA3 GLY 46 HA1 GLY 46 -11.352 -7.447 -12.354 366 H GLY 47 HN GLY 47 -9.377 -6.326 -9.838 367 HA2 GLY 47 HA2 GLY 47 -11.438 -6.834 -7.891 368 HA3 GLY 47 HA1 GLY 47 -9.765 -6.407 -7.559 369 HA PRO 48 HA PRO 48 -12.933 -2.860 -6.755 370 HB2 PRO 48 HB2 PRO 48 -11.583 -3.213 -4.125 371 HB3 PRO 48 HB1 PRO 48 -13.271 -2.807 -4.454 372 HG2 PRO 48 HG2 PRO 48 -12.686 -5.222 -3.674 373 HG3 PRO 48 HG1 PRO 48 -13.737 -5.010 -5.079 374 HD2 PRO 48 HD2 PRO 48 -10.822 -5.644 -5.025 375 HD3 PRO 48 HD1 PRO 48 -12.118 -6.416 -5.937 376 H ALA 49 HN ALA 49 -9.763 -3.421 -5.363 377 HA ALA 49 HA ALA 49 -8.946 -0.749 -5.271 378 HB1 ALA 49 HB1 ALA 49 -7.768 -2.488 -4.043 379 HB2 ALA 49 HB2 ALA 49 -6.650 -1.608 -5.087 380 HB3 ALA 49 HB3 ALA 49 -7.223 -3.207 -5.560 381 H SER 50 HN SER 50 -8.638 -3.124 -7.840 382 HA SER 50 HA SER 50 -7.028 -1.552 -9.548 383 HB2 SER 50 HB2 SER 50 -7.777 -4.099 -9.645 384 HB3 SER 50 HB1 SER 50 -9.045 -3.436 -10.674 385 HG SER 50 HG SER 50 -6.801 -4.112 -11.562 386 H GLU 51 HN GLU 51 -10.453 -1.860 -9.004 387 HA GLU 51 HA GLU 51 -11.295 -0.287 -11.223 388 HB2 GLU 51 HB2 GLU 51 -12.735 -0.799 -8.612 389 HB3 GLU 51 HB1 GLU 51 -13.470 -0.187 -10.089 390 HG2 GLU 51 HG2 GLU 51 -12.684 -2.350 -11.176 391 HG3 GLU 51 HG1 GLU 51 -12.386 -2.926 -9.539 392 H ALA 52 HN ALA 52 -10.456 0.356 -7.926 393 HA ALA 52 HA ALA 52 -11.195 3.098 -7.889 394 HB1 ALA 52 HB1 ALA 52 -9.257 1.604 -6.138 395 HB2 ALA 52 HB2 ALA 52 -10.999 1.708 -5.879 396 HB3 ALA 52 HB3 ALA 52 -10.004 3.161 -5.782 397 H GLY 53 HN GLY 53 -8.454 1.365 -9.075 398 HA2 GLY 53 HA2 GLY 53 -7.087 2.520 -10.711 399 HA3 GLY 53 HA1 GLY 53 -7.181 3.932 -9.681 400 H LEU 54 HN LEU 54 -6.729 1.312 -7.684 401 HA LEU 54 HA LEU 54 -4.074 2.099 -7.028 402 HB2 LEU 54 HB2 LEU 54 -6.065 0.570 -5.861 403 HB3 LEU 54 HB1 LEU 54 -4.798 -0.585 -6.173 404 HG LEU 54 HG LEU 54 -4.853 1.716 -4.283 405 HD11 LEU 54 HD11 LEU 54 -5.195 -0.643 -3.582 406 HD12 LEU 54 HD12 LEU 54 -3.825 0.154 -2.797 407 HD13 LEU 54 HD13 LEU 54 -3.546 -0.989 -4.111 408 HD21 LEU 54 HD21 LEU 54 -2.976 2.432 -5.455 409 HD22 LEU 54 HD22 LEU 54 -2.430 0.790 -5.780 410 HD23 LEU 54 HD23 LEU 54 -2.310 1.454 -4.150 411 H ARG 55 HN ARG 55 -2.234 1.439 -7.814 412 HA ARG 55 HA ARG 55 -2.157 -0.952 -9.528 413 HB2 ARG 55 HB2 ARG 55 -0.495 1.543 -9.884 414 HB3 ARG 55 HB1 ARG 55 -0.601 0.168 -10.977 415 HG2 ARG 55 HG2 ARG 55 -3.018 1.794 -10.300 416 HG3 ARG 55 HG1 ARG 55 -1.899 2.291 -11.562 417 HD2 ARG 55 HD2 ARG 55 -2.353 0.407 -12.871 418 HD3 ARG 55 HD1 ARG 55 -3.040 -0.476 -11.512 419 HE ARG 55 HE ARG 55 -4.378 1.849 -12.741 420 HH11 ARG 55 HH11 ARG 55 -4.452 -1.421 -11.474 421 HH12 ARG 55 HH12 ARG 55 -6.166 -1.597 -11.671 422 HH21 ARG 55 HH21 ARG 55 -6.641 1.621 -12.988 423 HH22 ARG 55 HH22 ARG 55 -7.409 0.135 -12.534 424 H GLN 56 HN GLN 56 -0.384 -2.294 -9.304 425 HA GLN 56 HA GLN 56 0.914 -2.172 -6.778 426 HB2 GLN 56 HB2 GLN 56 2.306 -4.059 -8.278 427 HB3 GLN 56 HB1 GLN 56 1.011 -4.355 -7.143 428 HG2 GLN 56 HG2 GLN 56 -0.599 -4.483 -8.808 429 HG3 GLN 56 HG1 GLN 56 0.460 -3.727 -9.970 430 HE21 GLN 56 HE21 GLN 56 2.776 -5.305 -9.327 431 HE22 GLN 56 HE22 GLN 56 2.486 -6.891 -9.947 432 H GLY 57 HN GLY 57 3.033 -1.822 -6.264 433 HA2 GLY 57 HA2 GLY 57 5.285 -1.330 -6.694 434 HA3 GLY 57 HA1 GLY 57 4.884 -1.009 -8.365 435 H ASP 58 HN ASP 58 2.679 0.607 -6.401 436 HA ASP 58 HA ASP 58 4.063 3.127 -6.871 437 HB2 ASP 58 HB2 ASP 58 1.358 2.605 -5.619 438 HB3 ASP 58 HB1 ASP 58 2.012 4.191 -5.996 439 H LEU 59 HN LEU 59 2.926 4.514 -4.624 440 HA LEU 59 HA LEU 59 4.131 3.230 -2.336 441 HB2 LEU 59 HB2 LEU 59 5.033 5.741 -3.614 442 HB3 LEU 59 HB1 LEU 59 4.892 5.776 -1.866 443 HG LEU 59 HG LEU 59 6.613 3.934 -3.498 444 HD11 LEU 59 HD11 LEU 59 8.457 5.075 -2.429 445 HD12 LEU 59 HD12 LEU 59 7.338 6.055 -1.483 446 HD13 LEU 59 HD13 LEU 59 7.419 6.254 -3.233 447 HD21 LEU 59 HD21 LEU 59 5.894 2.610 -1.696 448 HD22 LEU 59 HD22 LEU 59 5.975 3.962 -0.566 449 HD23 LEU 59 HD23 LEU 59 7.459 3.250 -1.199 450 H ILE 60 HN ILE 60 2.609 3.184 -0.864 451 HA ILE 60 HA ILE 60 0.426 5.049 -0.944 452 HB ILE 60 HB ILE 60 1.080 2.836 1.018 453 HG12 ILE 60 HG12 ILE 60 -1.181 2.876 -0.971 454 HG13 ILE 60 HG11 ILE 60 0.428 2.348 -1.450 455 HG21 ILE 60 HG21 ILE 60 -0.239 4.550 2.119 456 HG22 ILE 60 HG22 ILE 60 -1.222 3.114 1.836 457 HG23 ILE 60 HG23 ILE 60 -1.409 4.528 0.798 458 HD11 ILE 60 HD11 ILE 60 0.354 0.589 0.226 459 HD12 ILE 60 HD12 ILE 60 -1.019 0.477 -0.875 460 HD13 ILE 60 HD13 ILE 60 -1.239 1.141 0.745 461 H THR 61 HN THR 61 0.712 7.045 -0.170 462 HA THR 61 HA THR 61 2.708 7.515 1.894 463 HB THR 61 HB THR 61 2.851 9.043 0.077 464 HG1 THR 61 HG1 THR 61 1.598 10.335 2.290 465 HG21 THR 61 HG21 THR 61 1.034 10.501 -0.628 466 HG22 THR 61 HG22 THR 61 -0.041 9.754 0.555 467 HG23 THR 61 HG23 THR 61 0.575 8.806 -0.800 468 H HIS 62 HN HIS 62 -0.783 7.621 1.494 469 HA HIS 62 HA HIS 62 -1.039 7.817 4.394 470 HB2 HIS 62 HB2 HIS 62 -2.526 9.703 2.553 471 HB3 HIS 62 HB1 HIS 62 -2.843 9.502 4.262 472 HD2 HIS 62 HD2 HIS 62 -1.085 10.745 5.990 473 HE1 HIS 62 HE1 HIS 62 0.996 12.819 2.949 474 HE2 HIS 62 HE2 HIS 62 0.726 12.521 5.451 475 H VAL 63 HN VAL 63 -2.916 6.945 5.199 476 HA VAL 63 HA VAL 63 -4.702 5.641 3.246 477 HB VAL 63 HB VAL 63 -3.718 4.560 5.894 478 HG11 VAL 63 HG11 VAL 63 -5.208 2.705 5.625 479 HG12 VAL 63 HG12 VAL 63 -5.760 3.311 4.065 480 HG13 VAL 63 HG13 VAL 63 -6.155 4.189 5.541 481 HG21 VAL 63 HG21 VAL 63 -2.220 4.247 3.939 482 HG22 VAL 63 HG22 VAL 63 -3.522 3.381 3.124 483 HG23 VAL 63 HG23 VAL 63 -2.822 2.728 4.605 484 H ASN 64 HN ASN 64 -6.618 6.610 3.344 485 HA ASN 64 HA ASN 64 -8.503 7.608 4.121 486 HB2 ASN 64 HB2 ASN 64 -7.645 6.390 6.760 487 HB3 ASN 64 HB1 ASN 64 -9.189 7.188 6.494 488 HD21 ASN 64 HD21 ASN 64 -8.381 4.399 7.174 489 HD22 ASN 64 HD22 ASN 64 -9.198 3.414 6.019 490 H GLY 65 HN GLY 65 -5.845 8.888 4.132 491 HA2 GLY 65 HA2 GLY 65 -5.222 11.103 4.439 492 HA3 GLY 65 HA1 GLY 65 -6.622 11.323 5.475 493 H GLU 66 HN GLU 66 -4.650 8.628 6.262 494 HA GLU 66 HA GLU 66 -3.627 10.124 8.577 495 HB2 GLU 66 HB2 GLU 66 -3.744 7.137 8.321 496 HB3 GLU 66 HB1 GLU 66 -3.612 8.092 9.788 497 HG2 GLU 66 HG2 GLU 66 -6.042 8.265 8.060 498 HG3 GLU 66 HG1 GLU 66 -5.848 6.956 9.215 499 HA PRO 67 HA PRO 67 0.463 9.655 6.844 500 HB2 PRO 67 HB2 PRO 67 1.433 10.091 9.587 501 HB3 PRO 67 HB1 PRO 67 1.708 11.056 8.135 502 HG2 PRO 67 HG2 PRO 67 0.116 11.910 10.133 503 HG3 PRO 67 HG1 PRO 67 -0.206 12.298 8.437 504 HD2 PRO 67 HD2 PRO 67 -1.495 10.262 10.183 505 HD3 PRO 67 HD1 PRO 67 -2.226 11.327 8.970 506 H VAL 68 HN VAL 68 1.018 7.628 6.383 507 HA VAL 68 HA VAL 68 1.109 5.594 8.470 508 HB VAL 68 HB VAL 68 1.422 3.991 6.679 509 HG11 VAL 68 HG11 VAL 68 -0.770 5.973 6.088 510 HG12 VAL 68 HG12 VAL 68 -0.849 4.633 7.232 511 HG13 VAL 68 HG13 VAL 68 -0.715 4.311 5.505 512 HG21 VAL 68 HG21 VAL 68 1.467 4.636 4.341 513 HG22 VAL 68 HG22 VAL 68 2.811 5.388 5.200 514 HG23 VAL 68 HG23 VAL 68 1.384 6.339 4.787 515 H HIS 69 HN HIS 69 3.186 7.764 6.979 516 HA HIS 69 HA HIS 69 5.561 6.234 6.844 517 HB2 HIS 69 HB2 HIS 69 5.037 8.530 5.786 518 HB3 HIS 69 HB1 HIS 69 5.465 9.203 7.352 519 HD2 HIS 69 HD2 HIS 69 8.209 8.578 8.128 520 HE1 HIS 69 HE1 HIS 69 9.372 8.165 4.080 521 HE2 HIS 69 HE2 HIS 69 10.175 8.653 6.433 522 H GLY 70 HN GLY 70 6.181 5.150 8.626 523 HA2 GLY 70 HA2 GLY 70 7.644 5.702 10.602 524 HA3 GLY 70 HA1 GLY 70 6.283 6.662 11.158 525 H LEU 71 HN LEU 71 4.397 4.518 10.084 526 HA LEU 71 HA LEU 71 4.357 2.992 12.529 527 HB2 LEU 71 HB2 LEU 71 2.642 2.345 10.174 528 HB3 LEU 71 HB1 LEU 71 2.289 2.182 11.881 529 HG LEU 71 HG LEU 71 2.486 4.795 10.466 530 HD11 LEU 71 HD11 LEU 71 0.670 3.990 9.416 531 HD12 LEU 71 HD12 LEU 71 -0.112 4.543 10.897 532 HD13 LEU 71 HD13 LEU 71 0.310 2.838 10.700 533 HD21 LEU 71 HD21 LEU 71 1.317 5.666 12.414 534 HD22 LEU 71 HD22 LEU 71 2.817 4.877 12.904 535 HD23 LEU 71 HD23 LEU 71 1.274 4.049 13.116 536 H VAL 72 HN VAL 72 3.409 0.625 11.878 537 HA VAL 72 HA VAL 72 5.654 -0.746 10.583 538 HB VAL 72 HB VAL 72 4.819 -2.763 11.750 539 HG11 VAL 72 HG11 VAL 72 5.458 -2.101 14.022 540 HG12 VAL 72 HG12 VAL 72 5.277 -0.404 13.575 541 HG13 VAL 72 HG13 VAL 72 6.530 -1.387 12.817 542 HG21 VAL 72 HG21 VAL 72 2.570 -0.963 12.311 543 HG22 VAL 72 HG22 VAL 72 3.141 -1.876 13.718 544 HG23 VAL 72 HG23 VAL 72 2.636 -2.731 12.261 545 H HIS 73 HN HIS 73 4.795 -2.945 9.625 546 HA HIS 73 HA HIS 73 3.246 -2.321 7.378 547 HB2 HIS 73 HB2 HIS 73 4.893 -4.155 7.475 548 HB3 HIS 73 HB1 HIS 73 3.832 -5.041 8.562 549 HD1 HIS 73 HD1 HIS 73 3.175 -3.371 5.175 550 HD2 HIS 73 HD2 HIS 73 2.701 -6.990 7.165 551 HE1 HIS 73 HE1 HIS 73 2.014 -4.927 3.558 552 H THR 74 HN THR 74 2.385 -3.944 10.406 553 HA THR 74 HA THR 74 -0.281 -4.532 9.564 554 HB THR 74 HB THR 74 -0.547 -4.873 12.130 555 HG1 THR 74 HG1 THR 74 1.272 -4.770 13.276 556 HG21 THR 74 HG21 THR 74 0.628 -7.069 11.905 557 HG22 THR 74 HG22 THR 74 1.266 -6.507 10.359 558 HG23 THR 74 HG23 THR 74 -0.473 -6.699 10.579 559 H GLU 75 HN GLU 75 1.182 -1.748 11.158 560 HA GLU 75 HA GLU 75 -1.162 -0.718 12.289 561 HB2 GLU 75 HB2 GLU 75 1.391 0.624 11.398 562 HB3 GLU 75 HB1 GLU 75 0.023 1.514 11.965 563 HG2 GLU 75 HG2 GLU 75 1.088 -0.702 13.604 564 HG3 GLU 75 HG1 GLU 75 1.795 0.915 13.680 565 H VAL 76 HN VAL 76 0.326 -0.286 9.143 566 HA VAL 76 HA VAL 76 -1.696 1.501 8.204 567 HB VAL 76 HB VAL 76 -0.662 1.361 6.046 568 HG11 VAL 76 HG11 VAL 76 0.479 2.681 7.725 569 HG12 VAL 76 HG12 VAL 76 1.654 1.940 6.635 570 HG13 VAL 76 HG13 VAL 76 1.395 1.268 8.247 571 HG21 VAL 76 HG21 VAL 76 1.069 -0.206 5.467 572 HG22 VAL 76 HG22 VAL 76 -0.349 -1.108 6.008 573 HG23 VAL 76 HG23 VAL 76 1.031 -0.907 7.085 574 H VAL 77 HN VAL 77 -1.164 -1.971 8.076 575 HA VAL 77 HA VAL 77 -3.162 -2.689 6.255 576 HB VAL 77 HB VAL 77 -1.884 -4.107 8.579 577 HG11 VAL 77 HG11 VAL 77 -4.264 -4.835 8.459 578 HG12 VAL 77 HG12 VAL 77 -3.092 -6.116 8.159 579 HG13 VAL 77 HG13 VAL 77 -3.961 -5.382 6.809 580 HG21 VAL 77 HG21 VAL 77 -1.027 -5.570 6.811 581 HG22 VAL 77 HG22 VAL 77 -0.606 -3.881 6.521 582 HG23 VAL 77 HG23 VAL 77 -1.915 -4.634 5.610 583 H GLU 78 HN GLU 78 -3.279 -2.401 9.786 584 HA GLU 78 HA GLU 78 -6.002 -2.887 10.117 585 HB2 GLU 78 HB2 GLU 78 -4.167 -1.172 11.697 586 HB3 GLU 78 HB1 GLU 78 -5.767 -1.631 12.226 587 HG2 GLU 78 HG2 GLU 78 -5.006 -3.980 11.891 588 HG3 GLU 78 HG1 GLU 78 -3.374 -3.352 11.820 589 H LEU 79 HN LEU 79 -4.246 0.084 9.812 590 HA LEU 79 HA LEU 79 -6.177 2.007 9.930 591 HB2 LEU 79 HB2 LEU 79 -3.563 1.874 8.994 592 HB3 LEU 79 HB1 LEU 79 -4.477 2.479 7.626 593 HG LEU 79 HG LEU 79 -5.425 4.221 9.239 594 HD11 LEU 79 HD11 LEU 79 -4.693 3.066 11.294 595 HD12 LEU 79 HD12 LEU 79 -4.100 4.724 11.193 596 HD13 LEU 79 HD13 LEU 79 -3.017 3.375 10.844 597 HD21 LEU 79 HD21 LEU 79 -2.775 4.036 7.990 598 HD22 LEU 79 HD22 LEU 79 -2.966 5.328 9.178 599 HD23 LEU 79 HD23 LEU 79 -4.051 5.242 7.789 600 H ILE 80 HN ILE 80 -5.199 0.358 6.903 601 HA ILE 80 HA ILE 80 -7.184 1.281 5.238 602 HB ILE 80 HB ILE 80 -5.855 -1.421 5.359 603 HG12 ILE 80 HG12 ILE 80 -5.141 0.768 3.475 604 HG13 ILE 80 HG11 ILE 80 -4.589 0.864 5.131 605 HG21 ILE 80 HG21 ILE 80 -6.415 -1.593 2.964 606 HG22 ILE 80 HG22 ILE 80 -7.394 -0.133 3.119 607 HG23 ILE 80 HG23 ILE 80 -7.830 -1.588 4.020 608 HD11 ILE 80 HD11 ILE 80 -3.415 -1.160 4.949 609 HD12 ILE 80 HD12 ILE 80 -2.966 -0.153 3.570 610 HD13 ILE 80 HD13 ILE 80 -4.094 -1.495 3.357 611 H LEU 81 HN LEU 81 -7.170 -1.749 7.091 612 HA LEU 81 HA LEU 81 -9.712 -2.662 6.524 613 HB2 LEU 81 HB2 LEU 81 -8.022 -2.906 8.995 614 HB3 LEU 81 HB1 LEU 81 -9.567 -3.719 8.857 615 HG LEU 81 HG LEU 81 -7.304 -4.126 6.906 616 HD11 LEU 81 HD11 LEU 81 -6.827 -6.195 8.075 617 HD12 LEU 81 HD12 LEU 81 -8.071 -5.832 9.271 618 HD13 LEU 81 HD13 LEU 81 -6.631 -4.822 9.163 619 HD21 LEU 81 HD21 LEU 81 -9.414 -4.706 5.960 620 HD22 LEU 81 HD22 LEU 81 -9.901 -5.558 7.426 621 HD23 LEU 81 HD23 LEU 81 -8.606 -6.204 6.419 622 H LYS 82 HN LYS 82 -8.798 -0.360 9.079 623 HA LYS 82 HA LYS 82 -11.349 -0.193 10.252 624 HB2 LYS 82 HB2 LYS 82 -9.046 1.723 10.377 625 HB3 LYS 82 HB1 LYS 82 -10.451 1.739 11.443 626 HG2 LYS 82 HG2 LYS 82 -9.869 -0.641 12.005 627 HG3 LYS 82 HG1 LYS 82 -8.351 -0.364 11.189 628 HD2 LYS 82 HD2 LYS 82 -9.341 1.353 13.450 629 HD3 LYS 82 HD1 LYS 82 -8.304 -0.052 13.693 630 HE2 LYS 82 HE2 LYS 82 -6.560 0.957 12.363 631 HE3 LYS 82 HE1 LYS 82 -7.609 2.310 11.950 632 HZ1 LYS 82 HZ1 LYS 82 -6.533 1.657 14.641 633 HZ2 LYS 82 HZ2 LYS 82 -7.672 2.871 14.340 634 HZ3 LYS 82 HZ3 LYS 82 -6.125 2.984 13.675 635 H SER 83 HN SER 83 -10.424 1.009 7.270 636 HA SER 83 HA SER 83 -11.482 3.538 7.082 637 HB2 SER 83 HB2 SER 83 -11.958 2.961 4.688 638 HB3 SER 83 HB1 SER 83 -10.331 2.542 5.218 639 HG SER 83 HG SER 83 -10.777 0.474 5.042 640 H GLY 84 HN GLY 84 -13.297 0.642 6.065 641 HA2 GLY 84 HA2 GLY 84 -15.494 0.121 6.851 642 HA3 GLY 84 HA1 GLY 84 -15.714 1.816 7.253 643 H ASN 85 HN ASN 85 -16.001 -0.607 4.866 644 HA ASN 85 HA ASN 85 -17.199 -0.738 2.955 645 HB2 ASN 85 HB2 ASN 85 -19.024 0.525 3.440 646 HB3 ASN 85 HB1 ASN 85 -18.068 1.910 3.946 647 HD21 ASN 85 HD21 ASN 85 -19.400 0.208 1.191 648 HD22 ASN 85 HD22 ASN 85 -19.339 1.554 0.106 649 H LYS 86 HN LYS 86 -15.204 2.185 3.181 650 HA LYS 86 HA LYS 86 -13.861 1.392 0.766 651 HB2 LYS 86 HB2 LYS 86 -14.044 3.574 -0.265 652 HB3 LYS 86 HB1 LYS 86 -15.615 2.848 -0.062 653 HG2 LYS 86 HG2 LYS 86 -15.704 4.192 2.134 654 HG3 LYS 86 HG1 LYS 86 -14.398 5.112 1.398 655 HD2 LYS 86 HD2 LYS 86 -15.994 5.241 -0.644 656 HD3 LYS 86 HD1 LYS 86 -17.236 4.835 0.542 657 HE2 LYS 86 HE2 LYS 86 -16.730 6.784 1.837 658 HE3 LYS 86 HE1 LYS 86 -15.316 7.135 0.845 659 HZ1 LYS 86 HZ1 LYS 86 -18.167 7.363 0.104 660 HZ2 LYS 86 HZ2 LYS 86 -16.942 7.331 -1.059 661 HZ3 LYS 86 HZ3 LYS 86 -16.978 8.570 0.092 662 H VAL 87 HN VAL 87 -11.942 2.470 0.456 663 HA VAL 87 HA VAL 87 -10.945 3.965 2.781 664 HB VAL 87 HB VAL 87 -10.286 1.691 3.171 665 HG11 VAL 87 HG11 VAL 87 -10.493 0.831 0.912 666 HG12 VAL 87 HG12 VAL 87 -8.906 0.435 1.579 667 HG13 VAL 87 HG13 VAL 87 -9.067 1.749 0.415 668 HG21 VAL 87 HG21 VAL 87 -8.640 3.328 3.799 669 HG22 VAL 87 HG22 VAL 87 -7.995 3.372 2.160 670 HG23 VAL 87 HG23 VAL 87 -7.806 1.920 3.141 671 H ALA 88 HN ALA 88 -9.857 5.713 2.252 672 HA ALA 88 HA ALA 88 -9.188 6.168 -0.550 673 HB1 ALA 88 HB1 ALA 88 -10.375 7.944 0.585 674 HB2 ALA 88 HB2 ALA 88 -8.755 8.475 0.127 675 HB3 ALA 88 HB3 ALA 88 -9.104 8.042 1.804 676 H ILE 89 HN ILE 89 -7.365 5.314 -1.108 677 HA ILE 89 HA ILE 89 -5.083 5.407 0.731 678 HB ILE 89 HB ILE 89 -5.308 3.822 -1.827 679 HG12 ILE 89 HG12 ILE 89 -6.191 3.228 0.959 680 HG13 ILE 89 HG11 ILE 89 -6.879 2.742 -0.575 681 HG21 ILE 89 HG21 ILE 89 -3.406 2.618 -1.012 682 HG22 ILE 89 HG22 ILE 89 -3.417 3.548 0.486 683 HG23 ILE 89 HG23 ILE 89 -3.036 4.344 -1.041 684 HD11 ILE 89 HD11 ILE 89 -6.065 0.806 0.556 685 HD12 ILE 89 HD12 ILE 89 -4.478 1.549 0.759 686 HD13 ILE 89 HD13 ILE 89 -5.047 1.115 -0.853 687 H SER 90 HN SER 90 -3.852 7.142 0.476 688 HA SER 90 HA SER 90 -3.715 8.587 -2.004 689 HB2 SER 90 HB2 SER 90 -1.907 9.006 0.369 690 HB3 SER 90 HB1 SER 90 -2.492 10.196 -0.793 691 HG SER 90 HG SER 90 -4.056 10.548 0.548 692 H THR 91 HN THR 91 -2.529 7.858 -3.645 693 HA THR 91 HA THR 91 -0.124 6.293 -3.064 694 HB THR 91 HB THR 91 -0.382 5.866 -5.657 695 HG1 THR 91 HG1 THR 91 -2.682 5.854 -6.158 696 HG21 THR 91 HG21 THR 91 -0.535 4.060 -4.115 697 HG22 THR 91 HG22 THR 91 -1.980 3.980 -5.129 698 HG23 THR 91 HG23 THR 91 -2.082 4.636 -3.492 699 H THR 92 HN THR 92 1.716 6.565 -4.456 700 HA THR 92 HA THR 92 2.064 8.930 -6.036 701 HB THR 92 HB THR 92 2.411 10.039 -3.939 702 HG1 THR 92 HG1 THR 92 4.956 9.288 -4.992 703 HG21 THR 92 HG21 THR 92 2.657 8.051 -2.523 704 HG22 THR 92 HG22 THR 92 3.927 9.234 -2.206 705 HG23 THR 92 HG23 THR 92 4.282 7.797 -3.165 706 HA PRO 93 HA PRO 93 4.890 6.265 -8.180 707 HB2 PRO 93 HB2 PRO 93 6.832 8.513 -7.977 708 HB3 PRO 93 HB1 PRO 93 6.377 7.553 -9.384 709 HG2 PRO 93 HG2 PRO 93 5.401 10.007 -9.067 710 HG3 PRO 93 HG1 PRO 93 4.374 8.697 -9.683 711 HD2 PRO 93 HD2 PRO 93 4.404 9.977 -6.993 712 HD3 PRO 93 HD1 PRO 93 3.044 9.291 -7.902 713 H LEU 94 HN LEU 94 6.637 4.969 -7.885 714 HA LEU 94 HA LEU 94 8.056 5.190 -5.316 715 HB2 LEU 94 HB2 LEU 94 6.686 3.245 -5.217 716 HB3 LEU 94 HB1 LEU 94 7.108 2.774 -6.850 717 HG LEU 94 HG LEU 94 9.410 2.266 -6.094 718 HD11 LEU 94 HD11 LEU 94 8.339 2.744 -3.319 719 HD12 LEU 94 HD12 LEU 94 9.456 3.808 -4.173 720 HD13 LEU 94 HD13 LEU 94 9.951 2.169 -3.746 721 HD21 LEU 94 HD21 LEU 94 8.858 0.211 -4.929 722 HD22 LEU 94 HD22 LEU 94 7.693 0.523 -6.216 723 HD23 LEU 94 HD23 LEU 94 7.259 0.843 -4.537 724 H GLU 95 HN GLU 95 9.617 6.502 -6.341 725 HA GLU 95 HA GLU 95 11.395 5.022 -8.160 726 HB2 GLU 95 HB2 GLU 95 11.737 7.918 -8.146 727 HB3 GLU 95 HB1 GLU 95 11.589 6.815 -9.505 728 HG2 GLU 95 HG2 GLU 95 9.070 6.778 -8.916 729 HG3 GLU 95 HG1 GLU 95 9.430 8.239 -7.997 730 H ASN 96 HN ASN 96 13.086 4.348 -7.091 731 HA ASN 96 HA ASN 96 14.465 6.172 -5.264 732 HB2 ASN 96 HB2 ASN 96 13.073 4.619 -3.899 733 HB3 ASN 96 HB1 ASN 96 13.912 3.260 -4.636 734 HD21 ASN 96 HD21 ASN 96 15.930 2.716 -3.946 735 HD22 ASN 96 HD22 ASN 96 16.708 3.456 -2.590 736 H2 PRO 97 HT1 PRO 97 11.722 -1.690 -11.769 737 H3 PRO 97 HT2 PRO 97 11.129 -0.169 -11.717 738 HA PRO 97 HA PRO 97 9.438 -0.686 -10.563 739 HB2 PRO 97 HB2 PRO 97 8.551 -3.256 -11.299 740 HB3 PRO 97 HB1 PRO 97 7.833 -1.705 -11.769 741 HG2 PRO 97 HG2 PRO 97 9.751 -3.432 -13.247 742 HG3 PRO 97 HG1 PRO 97 8.477 -2.371 -13.874 743 HD2 PRO 97 HD2 PRO 97 11.048 -1.670 -14.048 744 HD3 PRO 97 HD1 PRO 97 9.799 -0.464 -13.696 745 H PHE 98 HN PHE 98 8.965 -2.035 -8.720 746 HA PHE 98 HA PHE 98 11.339 -3.490 -7.828 747 HB2 PHE 98 HB2 PHE 98 8.989 -2.244 -6.428 748 HB3 PHE 98 HB1 PHE 98 9.977 -3.442 -5.606 749 HD1 PHE 98 HD1 PHE 98 10.971 -0.707 -7.923 750 HD2 PHE 98 HD2 PHE 98 11.134 -2.277 -3.971 751 HE1 PHE 98 HE1 PHE 98 12.579 1.045 -7.295 752 HE2 PHE 98 HE2 PHE 98 12.735 -0.525 -3.337 753 HZ PHE 98 HZ PHE 98 13.418 1.166 -4.964 754 H ASP 99 HN ASP 99 11.375 -5.639 -7.994 755 HA ASP 99 HA ASP 99 9.079 -7.210 -7.257 756 HB2 ASP 99 HB2 ASP 99 8.561 -8.217 -9.278 757 HB3 ASP 99 HB1 ASP 99 8.880 -6.563 -9.781 758 H GLU 100 HN GLU 100 9.660 -9.059 -6.369 759 HA GLU 100 HA GLU 100 10.958 -10.646 -5.411 760 HB2 GLU 100 HB2 GLU 100 11.391 -10.741 -8.277 761 HB3 GLU 100 HB1 GLU 100 12.740 -11.426 -7.379 762 HG2 GLU 100 HG2 GLU 100 11.022 -13.080 -8.020 763 HG3 GLU 100 HG1 GLU 100 11.301 -12.988 -6.282 764 H ASP 101 HN ASP 101 11.992 -7.893 -5.162 765 HA ASP 101 HA ASP 101 14.867 -8.473 -4.969 766 HB2 ASP 101 HB2 ASP 101 15.262 -6.105 -4.966 767 HB3 ASP 101 HB1 ASP 101 14.160 -6.463 -6.292 768 H GLN 102 HN GLN 102 12.061 -7.419 -3.163 769 HA GLN 102 HA GLN 102 13.532 -7.930 -0.664 770 HB2 GLN 102 HB2 GLN 102 11.613 -5.668 -1.254 771 HB3 GLN 102 HB1 GLN 102 12.125 -6.108 0.368 772 HG2 GLN 102 HG2 GLN 102 14.326 -5.440 -0.018 773 HG3 GLN 102 HG1 GLN 102 14.104 -5.416 -1.766 774 HE21 GLN 102 HE21 GLN 102 13.209 -3.640 -2.738 775 HE22 GLN 102 HE22 GLN 102 12.902 -2.161 -1.883 776 H HIS 103 HN HIS 103 12.550 -9.401 0.599 777 HA HIS 103 HA HIS 103 9.665 -9.864 0.205 778 HB2 HIS 103 HB2 HIS 103 11.851 -11.926 0.551 779 HB3 HIS 103 HB1 HIS 103 10.137 -12.296 0.693 780 HD2 HIS 103 HD2 HIS 103 8.673 -11.728 -1.777 781 HE1 HIS 103 HE1 HIS 103 12.152 -12.403 -4.085 782 HE2 HIS 103 HE2 HIS 103 9.636 -12.088 -4.168 783 H THR 104 HN THR 104 10.596 -8.133 2.111 784 HA THR 104 HA THR 104 11.034 -9.317 4.633 785 HB THR 104 HB THR 104 9.789 -6.637 4.537 786 HG1 THR 104 HG1 THR 104 12.344 -7.179 3.372 787 HG21 THR 104 HG21 THR 104 11.665 -6.098 6.011 788 HG22 THR 104 HG22 THR 104 12.370 -7.687 5.714 789 HG23 THR 104 HG23 THR 104 10.836 -7.549 6.573 790 H GLN 105 HN GLN 105 8.230 -7.200 4.039 791 HA GLN 105 HA GLN 105 6.591 -9.227 5.412 792 HB2 GLN 105 HB2 GLN 105 6.950 -6.377 5.864 793 HB3 GLN 105 HB1 GLN 105 5.257 -6.822 5.705 794 HG2 GLN 105 HG2 GLN 105 7.147 -8.230 7.564 795 HG3 GLN 105 HG1 GLN 105 6.205 -6.817 8.039 796 HE21 GLN 105 HE21 GLN 105 5.025 -7.916 9.572 797 HE22 GLN 105 HE22 GLN 105 3.811 -9.084 9.167 798 H ILE 106 HN ILE 106 4.503 -9.606 4.710 799 HA ILE 106 HA ILE 106 3.472 -8.227 2.382 800 HB ILE 106 HB ILE 106 4.714 -9.723 1.105 801 HG12 ILE 106 HG12 ILE 106 2.118 -11.210 1.555 802 HG13 ILE 106 HG11 ILE 106 2.287 -9.777 0.547 803 HG21 ILE 106 HG21 ILE 106 5.588 -11.088 2.892 804 HG22 ILE 106 HG22 ILE 106 4.978 -12.110 1.590 805 HG23 ILE 106 HG23 ILE 106 4.033 -11.902 3.065 806 HD11 ILE 106 HD11 ILE 106 3.581 -10.928 -1.040 807 HD12 ILE 106 HD12 ILE 106 2.246 -12.007 -0.633 808 HD13 ILE 106 HD13 ILE 106 3.848 -12.287 0.049 809 H THR 107 HN THR 107 1.363 -7.973 2.711 810 HA THR 107 HA THR 107 -0.203 -10.140 3.891 811 HB THR 107 HB THR 107 -0.284 -7.319 4.985 812 HG1 THR 107 HG1 THR 107 1.482 -8.160 5.916 813 HG21 THR 107 HG21 THR 107 -2.452 -8.427 5.082 814 HG22 THR 107 HG22 THR 107 -1.763 -8.299 6.700 815 HG23 THR 107 HG23 THR 107 -1.719 -9.839 5.842 816 H LYS 108 HN LYS 108 -1.820 -10.484 2.579 817 HA LYS 108 HA LYS 108 -2.754 -8.481 0.742 818 HB2 LYS 108 HB2 LYS 108 -3.747 -11.272 1.362 819 HB3 LYS 108 HB1 LYS 108 -4.381 -10.258 0.073 820 HG2 LYS 108 HG2 LYS 108 -2.251 -10.269 -1.051 821 HG3 LYS 108 HG1 LYS 108 -1.516 -11.158 0.283 822 HD2 LYS 108 HD2 LYS 108 -2.937 -13.071 -0.175 823 HD3 LYS 108 HD1 LYS 108 -3.759 -12.181 -1.455 824 HE2 LYS 108 HE2 LYS 108 -0.799 -12.742 -1.470 825 HE3 LYS 108 HE1 LYS 108 -1.988 -13.810 -2.214 826 HZ1 LYS 108 HZ1 LYS 108 -2.649 -12.057 -3.685 827 HZ2 LYS 108 HZ2 LYS 108 -0.972 -12.241 -3.787 828 HZ3 LYS 108 HZ3 LYS 108 -1.627 -10.946 -2.917 829 H VAL 109 HN VAL 109 -4.451 -7.100 1.074 830 HA VAL 109 HA VAL 109 -6.076 -7.558 3.469 831 HB VAL 109 HB VAL 109 -4.432 -5.769 3.806 832 HG11 VAL 109 HG11 VAL 109 -5.765 -4.386 1.486 833 HG12 VAL 109 HG12 VAL 109 -4.154 -5.107 1.472 834 HG13 VAL 109 HG13 VAL 109 -4.493 -3.720 2.511 835 HG21 VAL 109 HG21 VAL 109 -5.993 -3.950 4.440 836 HG22 VAL 109 HG22 VAL 109 -6.506 -5.544 4.988 837 HG23 VAL 109 HG23 VAL 109 -7.278 -4.804 3.586 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 4.384 19.440 -3.069 2 H2 GLY 1 HT2 GLY 1 3.876 20.577 -4.210 3 H3 GLY 1 HT3 GLY 1 3.685 18.928 -4.521 4 HA2 GLY 1 HA1 GLY 1 2.313 20.446 -2.380 5 HA3 GLY 1 HA2 GLY 1 1.585 19.952 -3.900 6 H GLY 2 HN GLY 2 0.857 19.282 -1.138 7 HA2 GLY 2 HA2 GLY 2 1.588 16.516 -0.763 8 HA3 GLY 2 HA1 GLY 2 0.450 17.439 0.205 9 H SER 3 HN SER 3 -1.701 17.807 -0.728 10 HA SER 3 HA SER 3 -2.732 15.367 -1.820 11 HB2 SER 3 HB2 SER 3 -4.366 17.863 -1.573 12 HB3 SER 3 HB1 SER 3 -4.825 16.191 -1.250 13 HG SER 3 HG SER 3 -3.334 16.309 0.571 14 H MET 4 HN MET 4 -2.540 14.924 -3.905 15 HA MET 4 HA MET 4 -3.374 16.936 -5.862 16 HB2 MET 4 HB2 MET 4 -0.949 17.086 -5.853 17 HB3 MET 4 HB1 MET 4 -0.809 15.341 -6.005 18 HG2 MET 4 HG2 MET 4 -0.358 16.431 -8.119 19 HG3 MET 4 HG1 MET 4 -1.811 15.439 -8.220 20 HE1 MET 4 HE1 MET 4 -2.543 18.451 -10.647 21 HE2 MET 4 HE2 MET 4 -2.464 16.696 -10.501 22 HE3 MET 4 HE3 MET 4 -0.993 17.660 -10.362 23 H ARG 5 HN ARG 5 -2.507 13.571 -5.212 24 HA ARG 5 HA ARG 5 -4.071 12.658 -7.485 25 HB2 ARG 5 HB2 ARG 5 -2.202 11.340 -5.555 26 HB3 ARG 5 HB1 ARG 5 -3.314 10.361 -6.497 27 HG2 ARG 5 HG2 ARG 5 -1.314 10.364 -7.713 28 HG3 ARG 5 HG1 ARG 5 -2.359 11.513 -8.548 29 HD2 ARG 5 HD2 ARG 5 -1.235 13.339 -7.232 30 HD3 ARG 5 HD1 ARG 5 -0.084 12.127 -6.668 31 HE ARG 5 HE ARG 5 -0.180 12.032 -9.468 32 HH11 ARG 5 HH11 ARG 5 0.932 14.128 -6.890 33 HH12 ARG 5 HH12 ARG 5 2.121 14.921 -7.877 34 HH21 ARG 5 HH21 ARG 5 1.390 13.075 -10.767 35 HH22 ARG 5 HH22 ARG 5 2.365 14.336 -10.080 36 HA PRO 6 HA PRO 6 -7.699 12.221 -4.959 37 HB2 PRO 6 HB2 PRO 6 -9.172 10.764 -6.714 38 HB3 PRO 6 HB1 PRO 6 -8.897 12.494 -6.896 39 HG2 PRO 6 HG2 PRO 6 -7.481 10.202 -8.184 40 HG3 PRO 6 HG1 PRO 6 -8.119 11.684 -8.908 41 HD2 PRO 6 HD2 PRO 6 -5.514 11.421 -8.323 42 HD3 PRO 6 HD1 PRO 6 -6.349 12.978 -8.141 43 HA PRO 7 HA PRO 7 -6.792 8.259 -3.100 44 HB2 PRO 7 HB2 PRO 7 -9.201 8.696 -1.491 45 HB3 PRO 7 HB1 PRO 7 -7.519 8.560 -0.974 46 HG2 PRO 7 HG2 PRO 7 -8.866 10.888 -0.900 47 HG3 PRO 7 HG1 PRO 7 -7.123 10.811 -1.225 48 HD2 PRO 7 HD2 PRO 7 -9.395 11.188 -3.141 49 HD3 PRO 7 HD1 PRO 7 -7.798 11.965 -3.113 50 H ILE 8 HN ILE 8 -7.587 6.211 -3.059 51 HA ILE 8 HA ILE 8 -9.842 5.633 -4.801 52 HB ILE 8 HB ILE 8 -7.802 3.795 -3.549 53 HG12 ILE 8 HG12 ILE 8 -7.029 5.589 -5.252 54 HG13 ILE 8 HG11 ILE 8 -6.519 3.925 -5.486 55 HG21 ILE 8 HG21 ILE 8 -8.567 2.288 -5.467 56 HG22 ILE 8 HG22 ILE 8 -9.981 3.339 -5.548 57 HG23 ILE 8 HG23 ILE 8 -9.627 2.450 -4.067 58 HD11 ILE 8 HD11 ILE 8 -8.875 5.146 -6.883 59 HD12 ILE 8 HD12 ILE 8 -8.099 3.594 -7.223 60 HD13 ILE 8 HD13 ILE 8 -7.243 5.103 -7.549 61 H ILE 9 HN ILE 9 -11.617 6.084 -3.422 62 HA ILE 9 HA ILE 9 -11.795 5.100 -0.774 63 HB ILE 9 HB ILE 9 -13.883 6.147 -2.674 64 HG12 ILE 9 HG12 ILE 9 -13.906 8.090 -1.343 65 HG13 ILE 9 HG11 ILE 9 -12.928 7.354 -0.101 66 HG21 ILE 9 HG21 ILE 9 -15.280 6.302 -0.521 67 HG22 ILE 9 HG22 ILE 9 -14.197 5.045 0.080 68 HG23 ILE 9 HG23 ILE 9 -15.179 4.750 -1.355 69 HD11 ILE 9 HD11 ILE 9 -11.007 7.425 -1.580 70 HD12 ILE 9 HD12 ILE 9 -11.712 9.031 -1.379 71 HD13 ILE 9 HD13 ILE 9 -12.009 8.113 -2.857 72 H ILE 10 HN ILE 10 -11.499 2.951 -0.619 73 HA ILE 10 HA ILE 10 -13.076 1.112 -2.234 74 HB ILE 10 HB ILE 10 -10.985 0.514 -0.150 75 HG12 ILE 10 HG12 ILE 10 -10.592 0.478 -3.128 76 HG13 ILE 10 HG11 ILE 10 -10.275 1.918 -2.174 77 HG21 ILE 10 HG21 ILE 10 -12.363 -1.388 -0.558 78 HG22 ILE 10 HG22 ILE 10 -10.847 -1.637 -1.429 79 HG23 ILE 10 HG23 ILE 10 -12.294 -1.135 -2.301 80 HD11 ILE 10 HD11 ILE 10 -8.615 0.683 -0.880 81 HD12 ILE 10 HD12 ILE 10 -8.242 0.669 -2.605 82 HD13 ILE 10 HD13 ILE 10 -8.944 -0.758 -1.841 83 H HIS 11 HN HIS 11 -14.711 -0.045 -1.477 84 HA HIS 11 HA HIS 11 -15.771 0.575 1.131 85 HB2 HIS 11 HB2 HIS 11 -16.711 -1.100 -1.188 86 HB3 HIS 11 HB1 HIS 11 -17.573 -1.077 0.348 87 HD2 HIS 11 HD2 HIS 11 -16.625 2.398 0.124 88 HE1 HIS 11 HE1 HIS 11 -20.053 2.126 -2.339 89 HE2 HIS 11 HE2 HIS 11 -18.598 3.686 -0.966 90 H ARG 12 HN ARG 12 -16.318 -1.032 2.707 91 HA ARG 12 HA ARG 12 -14.248 -2.892 3.220 92 HB2 ARG 12 HB2 ARG 12 -15.667 -3.494 5.167 93 HB3 ARG 12 HB1 ARG 12 -15.420 -1.765 5.013 94 HG2 ARG 12 HG2 ARG 12 -17.612 -1.471 4.109 95 HG3 ARG 12 HG1 ARG 12 -17.867 -3.216 4.040 96 HD2 ARG 12 HD2 ARG 12 -17.831 -3.378 6.397 97 HD3 ARG 12 HD1 ARG 12 -17.322 -1.711 6.581 98 HE ARG 12 HE ARG 12 -19.901 -2.255 5.313 99 HH11 ARG 12 HH11 ARG 12 -18.129 -1.095 8.120 100 HH12 ARG 12 HH12 ARG 12 -19.499 -0.270 8.792 101 HH21 ARG 12 HH21 ARG 12 -21.699 -1.182 6.219 102 HH22 ARG 12 HH22 ARG 12 -21.523 -0.331 7.724 103 H ALA 13 HN ALA 13 -14.784 -5.227 3.815 104 HA ALA 13 HA ALA 13 -16.914 -6.476 2.345 105 HB1 ALA 13 HB1 ALA 13 -15.535 -7.762 0.827 106 HB2 ALA 13 HB2 ALA 13 -14.079 -6.990 1.453 107 HB3 ALA 13 HB3 ALA 13 -15.270 -6.039 0.565 108 H GLY 14 HN GLY 14 -14.841 -8.855 2.202 109 HA2 GLY 14 HA2 GLY 14 -15.627 -9.930 4.775 110 HA3 GLY 14 HA1 GLY 14 -14.819 -10.799 3.481 111 H LYS 15 HN LYS 15 -12.697 -11.171 3.639 112 HA LYS 15 HA LYS 15 -11.345 -10.278 6.039 113 HB2 LYS 15 HB2 LYS 15 -11.039 -12.456 4.121 114 HB3 LYS 15 HB1 LYS 15 -9.507 -11.718 4.563 115 HG2 LYS 15 HG2 LYS 15 -11.304 -12.305 6.810 116 HG3 LYS 15 HG1 LYS 15 -10.687 -13.711 5.943 117 HD2 LYS 15 HD2 LYS 15 -9.137 -13.298 7.675 118 HD3 LYS 15 HD1 LYS 15 -8.384 -12.687 6.204 119 HE2 LYS 15 HE2 LYS 15 -8.021 -11.088 7.949 120 HE3 LYS 15 HE1 LYS 15 -9.185 -10.409 6.814 121 HZ1 LYS 15 HZ1 LYS 15 -9.796 -10.057 9.148 122 HZ2 LYS 15 HZ2 LYS 15 -9.899 -11.727 9.375 123 HZ3 LYS 15 HZ3 LYS 15 -10.960 -10.952 8.314 124 H LYS 16 HN LYS 16 -11.551 -9.329 2.772 125 HA LYS 16 HA LYS 16 -9.450 -7.369 3.237 126 HB2 LYS 16 HB2 LYS 16 -8.311 -7.783 1.146 127 HB3 LYS 16 HB1 LYS 16 -8.354 -9.255 2.070 128 HG2 LYS 16 HG2 LYS 16 -10.487 -9.735 0.637 129 HG3 LYS 16 HG1 LYS 16 -9.725 -8.581 -0.456 130 HD2 LYS 16 HD2 LYS 16 -8.461 -11.095 0.620 131 HD3 LYS 16 HD1 LYS 16 -9.103 -10.885 -1.006 132 HE2 LYS 16 HE2 LYS 16 -7.422 -8.876 -1.075 133 HE3 LYS 16 HE1 LYS 16 -6.625 -9.756 0.231 134 HZ1 LYS 16 HZ1 LYS 16 -7.205 -10.793 -2.501 135 HZ2 LYS 16 HZ2 LYS 16 -6.522 -11.699 -1.246 136 HZ3 LYS 16 HZ3 LYS 16 -5.680 -10.375 -1.882 137 H TYR 17 HN TYR 17 -9.494 -5.585 1.772 138 HA TYR 17 HA TYR 17 -12.170 -4.793 1.068 139 HB2 TYR 17 HB2 TYR 17 -9.474 -3.492 0.646 140 HB3 TYR 17 HB1 TYR 17 -10.991 -2.757 0.164 141 HD1 TYR 17 HD2 TYR 17 -8.919 -3.758 2.992 142 HD2 TYR 17 HD1 TYR 17 -12.469 -1.767 1.791 143 HE1 TYR 17 HE2 TYR 17 -9.120 -2.814 5.233 144 HE2 TYR 17 HE1 TYR 17 -12.695 -0.792 4.037 145 HH TYR 17 HH TYR 17 -10.373 -0.521 6.169 146 H GLY 18 HN GLY 18 -10.191 -6.886 -0.330 147 HA2 GLY 18 HA2 GLY 18 -10.863 -7.833 -2.451 148 HA3 GLY 18 HA1 GLY 18 -11.204 -6.206 -3.006 149 H PHE 19 HN PHE 19 -8.354 -6.403 -1.214 150 HA PHE 19 HA PHE 19 -6.774 -7.051 -3.547 151 HB2 PHE 19 HB2 PHE 19 -5.534 -5.050 -3.664 152 HB3 PHE 19 HB1 PHE 19 -7.217 -4.620 -3.695 153 HD1 PHE 19 HD1 PHE 19 -8.277 -3.651 -1.615 154 HD2 PHE 19 HD2 PHE 19 -4.079 -4.228 -2.020 155 HE1 PHE 19 HE1 PHE 19 -7.883 -2.067 0.228 156 HE2 PHE 19 HE2 PHE 19 -3.681 -2.654 -0.172 157 HZ PHE 19 HZ PHE 19 -5.583 -1.572 0.953 158 H THR 20 HN THR 20 -4.595 -7.134 -3.253 159 HA THR 20 HA THR 20 -3.842 -8.126 -0.581 160 HB THR 20 HB THR 20 -2.771 -8.830 -3.322 161 HG1 THR 20 HG1 THR 20 -3.789 -10.744 -2.992 162 HG21 THR 20 HG21 THR 20 -1.260 -10.395 -2.225 163 HG22 THR 20 HG22 THR 20 -1.841 -9.884 -0.640 164 HG23 THR 20 HG23 THR 20 -0.930 -8.758 -1.650 165 H LEU 21 HN LEU 21 -2.578 -6.799 0.510 166 HA LEU 21 HA LEU 21 -1.016 -4.802 -0.922 167 HB2 LEU 21 HB2 LEU 21 -2.390 -4.039 0.954 168 HB3 LEU 21 HB1 LEU 21 -1.568 -5.158 2.023 169 HG LEU 21 HG LEU 21 0.555 -3.904 1.611 170 HD11 LEU 21 HD11 LEU 21 -0.161 -2.921 -0.554 171 HD12 LEU 21 HD12 LEU 21 0.502 -1.751 0.585 172 HD13 LEU 21 HD13 LEU 21 -1.242 -1.853 0.342 173 HD21 LEU 21 HD21 LEU 21 -1.736 -2.298 2.726 174 HD22 LEU 21 HD22 LEU 21 -0.023 -2.029 3.046 175 HD23 LEU 21 HD23 LEU 21 -0.800 -3.512 3.598 176 H ARG 22 HN ARG 22 1.137 -4.961 -1.159 177 HA ARG 22 HA ARG 22 2.534 -6.945 0.496 178 HB2 ARG 22 HB2 ARG 22 2.767 -6.556 -2.485 179 HB3 ARG 22 HB1 ARG 22 3.936 -7.462 -1.545 180 HG2 ARG 22 HG2 ARG 22 1.688 -8.719 -0.770 181 HG3 ARG 22 HG1 ARG 22 1.196 -8.174 -2.366 182 HD2 ARG 22 HD2 ARG 22 2.133 -10.358 -2.590 183 HD3 ARG 22 HD1 ARG 22 3.243 -9.197 -3.313 184 HE ARG 22 HE ARG 22 4.129 -9.525 -0.735 185 HH11 ARG 22 HH11 ARG 22 3.548 -11.613 -3.485 186 HH12 ARG 22 HH12 ARG 22 4.762 -12.765 -3.030 187 HH21 ARG 22 HH21 ARG 22 5.751 -11.057 -0.135 188 HH22 ARG 22 HH22 ARG 22 6.014 -12.445 -1.144 189 H ALA 23 HN ALA 23 4.285 -6.230 1.431 190 HA ALA 23 HA ALA 23 5.123 -3.497 0.930 191 HB1 ALA 23 HB1 ALA 23 4.690 -4.544 3.236 192 HB2 ALA 23 HB2 ALA 23 6.131 -3.547 3.033 193 HB3 ALA 23 HB3 ALA 23 6.266 -5.306 3.028 194 H ILE 24 HN ILE 24 6.387 -3.420 -0.843 195 HA ILE 24 HA ILE 24 8.429 -5.411 -1.313 196 HB ILE 24 HB ILE 24 9.045 -3.887 -3.264 197 HG12 ILE 24 HG12 ILE 24 6.354 -2.629 -2.725 198 HG13 ILE 24 HG11 ILE 24 7.863 -1.881 -2.211 199 HG21 ILE 24 HG21 ILE 24 6.262 -5.029 -3.143 200 HG22 ILE 24 HG22 ILE 24 7.737 -5.921 -3.515 201 HG23 ILE 24 HG23 ILE 24 7.164 -4.665 -4.613 202 HD11 ILE 24 HD11 ILE 24 7.115 -2.560 -5.044 203 HD12 ILE 24 HD12 ILE 24 8.606 -1.775 -4.523 204 HD13 ILE 24 HD13 ILE 24 7.057 -0.957 -4.313 205 H ARG 25 HN ARG 25 10.524 -5.253 -0.820 206 HA ARG 25 HA ARG 25 11.333 -2.944 0.761 207 HB2 ARG 25 HB2 ARG 25 11.689 -5.289 1.550 208 HB3 ARG 25 HB1 ARG 25 12.840 -5.503 0.243 209 HG2 ARG 25 HG2 ARG 25 14.440 -4.257 1.253 210 HG3 ARG 25 HG1 ARG 25 13.271 -3.192 2.038 211 HD2 ARG 25 HD2 ARG 25 14.009 -6.003 2.843 212 HD3 ARG 25 HD1 ARG 25 14.356 -4.515 3.728 213 HE ARG 25 HE ARG 25 11.551 -4.925 3.269 214 HH11 ARG 25 HH11 ARG 25 14.226 -5.756 5.376 215 HH12 ARG 25 HH12 ARG 25 13.206 -6.087 6.740 216 HH21 ARG 25 HH21 ARG 25 10.215 -5.367 5.054 217 HH22 ARG 25 HH22 ARG 25 10.924 -5.878 6.554 218 H VAL 26 HN VAL 26 12.277 -1.311 -0.170 219 HA VAL 26 HA VAL 26 13.939 -1.744 -2.558 220 HB VAL 26 HB VAL 26 12.510 0.729 -1.536 221 HG11 VAL 26 HG11 VAL 26 13.327 1.824 -3.626 222 HG12 VAL 26 HG12 VAL 26 14.415 0.454 -3.856 223 HG13 VAL 26 HG13 VAL 26 14.588 1.492 -2.440 224 HG21 VAL 26 HG21 VAL 26 12.148 -0.900 -4.043 225 HG22 VAL 26 HG22 VAL 26 11.293 0.594 -3.662 226 HG23 VAL 26 HG23 VAL 26 11.052 -0.837 -2.661 227 H TYR 27 HN TYR 27 16.054 -0.695 -2.545 228 HA TYR 27 HA TYR 27 16.910 -0.104 0.206 229 HB2 TYR 27 HB2 TYR 27 18.115 -1.691 -1.933 230 HB3 TYR 27 HB1 TYR 27 19.228 -0.635 -1.096 231 HD1 TYR 27 HD2 TYR 27 16.549 -3.132 -0.368 232 HD2 TYR 27 HD1 TYR 27 20.248 -1.403 0.834 233 HE1 TYR 27 HE2 TYR 27 16.701 -4.754 1.476 234 HE2 TYR 27 HE1 TYR 27 20.403 -3.014 2.681 235 HH TYR 27 HH TYR 27 18.526 -5.778 2.894 236 H MET 28 HN MET 28 18.261 1.552 0.605 237 HA MET 28 HA MET 28 18.133 3.770 -1.224 238 HB2 MET 28 HB2 MET 28 19.212 3.397 1.571 239 HB3 MET 28 HB1 MET 28 19.416 4.884 0.680 240 HG2 MET 28 HG2 MET 28 16.801 3.632 1.445 241 HG3 MET 28 HG1 MET 28 17.557 5.013 2.221 242 HE1 MET 28 HE1 MET 28 14.762 5.630 1.596 243 HE2 MET 28 HE2 MET 28 14.828 7.089 0.607 244 HE3 MET 28 HE3 MET 28 15.919 6.903 1.981 245 H GLY 29 HN GLY 29 19.569 3.796 -2.855 246 HA2 GLY 29 HA2 GLY 29 21.949 2.302 -2.948 247 HA3 GLY 29 HA1 GLY 29 21.532 3.620 -4.028 248 H ASP 30 HN ASP 30 21.324 5.321 -1.466 249 HA ASP 30 HA ASP 30 24.034 6.273 -1.580 250 HB2 ASP 30 HB2 ASP 30 23.168 8.222 -0.869 251 HB3 ASP 30 HB1 ASP 30 21.599 7.469 -1.125 252 H SER 31 HN SER 31 22.450 3.954 0.300 253 HA SER 31 HA SER 31 24.727 3.758 2.060 254 HB2 SER 31 HB2 SER 31 23.022 3.700 4.077 255 HB3 SER 31 HB1 SER 31 23.671 5.229 3.497 256 HG SER 31 HG SER 31 21.770 5.526 2.283 257 H ASP 32 HN ASP 32 23.182 2.117 4.006 258 HA ASP 32 HA ASP 32 22.746 -0.249 2.298 259 HB2 ASP 32 HB2 ASP 32 24.724 -0.139 3.971 260 HB3 ASP 32 HB1 ASP 32 23.498 -0.387 5.202 261 H VAL 33 HN VAL 33 21.192 1.987 4.014 262 HA VAL 33 HA VAL 33 19.352 0.393 5.521 263 HB VAL 33 HB VAL 33 19.760 2.635 6.275 264 HG11 VAL 33 HG11 VAL 33 19.128 4.600 4.985 265 HG12 VAL 33 HG12 VAL 33 18.639 3.564 3.644 266 HG13 VAL 33 HG13 VAL 33 20.334 3.640 4.126 267 HG21 VAL 33 HG21 VAL 33 16.976 2.630 5.143 268 HG22 VAL 33 HG22 VAL 33 17.547 3.443 6.604 269 HG23 VAL 33 HG23 VAL 33 17.462 1.680 6.551 270 H TYR 34 HN TYR 34 17.159 0.075 5.101 271 HA TYR 34 HA TYR 34 16.543 -0.037 2.231 272 HB2 TYR 34 HB2 TYR 34 15.024 -1.798 2.642 273 HB3 TYR 34 HB1 TYR 34 16.464 -2.176 3.555 274 HD1 TYR 34 HD1 TYR 34 16.425 -2.107 6.018 275 HD2 TYR 34 HD2 TYR 34 12.936 -1.274 3.730 276 HE1 TYR 34 HE1 TYR 34 15.039 -2.384 8.031 277 HE2 TYR 34 HE2 TYR 34 11.547 -1.538 5.735 278 HH TYR 34 HH TYR 34 12.821 -1.643 8.860 279 H THR 35 HN THR 35 14.311 0.146 1.680 280 HA THR 35 HA THR 35 12.788 2.088 3.260 281 HB THR 35 HB THR 35 12.784 2.508 0.323 282 HG1 THR 35 HG1 THR 35 15.044 2.977 1.962 283 HG21 THR 35 HG21 THR 35 13.135 4.518 2.533 284 HG22 THR 35 HG22 THR 35 11.552 3.861 2.108 285 HG23 THR 35 HG23 THR 35 12.478 4.775 0.916 286 H VAL 36 HN VAL 36 11.112 0.770 3.727 287 HA VAL 36 HA VAL 36 10.147 -1.145 1.800 288 HB VAL 36 HB VAL 36 10.176 -1.886 4.069 289 HG11 VAL 36 HG11 VAL 36 8.767 -0.795 5.815 290 HG12 VAL 36 HG12 VAL 36 8.508 0.542 4.695 291 HG13 VAL 36 HG13 VAL 36 10.133 0.178 5.271 292 HG21 VAL 36 HG21 VAL 36 7.828 -2.513 4.440 293 HG22 VAL 36 HG22 VAL 36 8.319 -2.721 2.758 294 HG23 VAL 36 HG23 VAL 36 7.337 -1.332 3.224 295 H HIS 37 HN HIS 37 8.618 -0.817 0.367 296 HA HIS 37 HA HIS 37 6.891 1.544 0.670 297 HB2 HIS 37 HB2 HIS 37 7.775 0.027 -1.782 298 HB3 HIS 37 HB1 HIS 37 6.461 1.185 -1.814 299 HD2 HIS 37 HD2 HIS 37 10.338 1.137 -1.265 300 HE1 HIS 37 HE1 HIS 37 9.084 5.049 -2.268 301 HE2 HIS 37 HE2 HIS 37 11.067 3.488 -2.083 302 H HIS 38 HN HIS 38 4.680 1.324 0.204 303 HA HIS 38 HA HIS 38 3.687 -1.415 0.588 304 HB2 HIS 38 HB2 HIS 38 2.321 1.194 1.297 305 HB3 HIS 38 HB1 HIS 38 1.702 -0.425 1.621 306 HD2 HIS 38 HD2 HIS 38 3.748 2.244 3.313 307 HE1 HIS 38 HE1 HIS 38 4.652 -1.381 5.293 308 HE2 HIS 38 HE2 HIS 38 5.060 1.115 5.245 309 H MET 39 HN MET 39 3.226 -2.200 -1.337 310 HA MET 39 HA MET 39 1.622 -0.523 -3.147 311 HB2 MET 39 HB2 MET 39 3.651 -0.724 -4.277 312 HB3 MET 39 HB1 MET 39 3.924 -2.367 -3.712 313 HG2 MET 39 HG2 MET 39 1.553 -2.044 -5.404 314 HG3 MET 39 HG1 MET 39 3.078 -1.673 -6.204 315 HE1 MET 39 HE1 MET 39 4.750 -4.923 -6.811 316 HE2 MET 39 HE2 MET 39 5.170 -3.358 -6.111 317 HE3 MET 39 HE3 MET 39 4.172 -3.437 -7.569 318 H VAL 40 HN VAL 40 -0.193 -1.351 -3.956 319 HA VAL 40 HA VAL 40 -1.241 -3.789 -2.921 320 HB VAL 40 HB VAL 40 -2.941 -2.268 -3.369 321 HG11 VAL 40 HG11 VAL 40 -3.101 -1.010 -5.538 322 HG12 VAL 40 HG12 VAL 40 -1.490 -1.617 -5.922 323 HG13 VAL 40 HG13 VAL 40 -1.732 -0.584 -4.513 324 HG21 VAL 40 HG21 VAL 40 -3.740 -4.277 -4.291 325 HG22 VAL 40 HG22 VAL 40 -2.749 -4.105 -5.737 326 HG23 VAL 40 HG23 VAL 40 -4.132 -3.035 -5.485 327 H TRP 41 HN TRP 41 -0.723 -5.732 -3.641 328 HA TRP 41 HA TRP 41 0.869 -6.003 -6.042 329 HB2 TRP 41 HB2 TRP 41 1.529 -7.144 -3.986 330 HB3 TRP 41 HB1 TRP 41 0.005 -8.033 -3.979 331 HD1 TRP 41 HD1 TRP 41 -0.072 -10.254 -5.330 332 HE1 TRP 41 HE1 TRP 41 1.618 -11.530 -6.802 333 HE3 TRP 41 HE3 TRP 41 3.544 -6.658 -5.717 334 HZ2 TRP 41 HZ2 TRP 41 4.144 -11.062 -7.971 335 HZ3 TRP 41 HZ3 TRP 41 5.563 -7.151 -7.031 336 HH2 TRP 41 HH2 TRP 41 5.855 -9.312 -8.134 337 H HIS 42 HN HIS 42 -2.350 -6.901 -4.958 338 HA HIS 42 HA HIS 42 -3.056 -7.530 -7.710 339 HB2 HIS 42 HB2 HIS 42 -2.169 -9.665 -6.731 340 HB3 HIS 42 HB1 HIS 42 -3.402 -9.576 -5.483 341 HD2 HIS 42 HD2 HIS 42 -2.940 -10.711 -9.122 342 HE1 HIS 42 HE1 HIS 42 -6.974 -11.364 -8.020 343 HE2 HIS 42 HE2 HIS 42 -5.161 -11.915 -9.706 344 H VAL 43 HN VAL 43 -5.307 -7.578 -8.053 345 HA VAL 43 HA VAL 43 -6.975 -6.665 -5.811 346 HB VAL 43 HB VAL 43 -7.126 -5.539 -8.621 347 HG11 VAL 43 HG11 VAL 43 -9.271 -5.588 -7.473 348 HG12 VAL 43 HG12 VAL 43 -8.688 -3.931 -7.628 349 HG13 VAL 43 HG13 VAL 43 -8.560 -4.768 -6.081 350 HG21 VAL 43 HG21 VAL 43 -5.100 -4.767 -7.471 351 HG22 VAL 43 HG22 VAL 43 -6.084 -4.221 -6.114 352 HG23 VAL 43 HG23 VAL 43 -6.261 -3.459 -7.694 353 H GLU 44 HN GLU 44 -8.776 -7.875 -5.606 354 HA GLU 44 HA GLU 44 -9.307 -10.105 -7.171 355 HB2 GLU 44 HB2 GLU 44 -11.285 -8.608 -5.459 356 HB3 GLU 44 HB1 GLU 44 -11.288 -10.301 -5.866 357 HG2 GLU 44 HG2 GLU 44 -9.172 -8.994 -4.210 358 HG3 GLU 44 HG1 GLU 44 -10.582 -9.817 -3.551 359 H ASP 45 HN ASP 45 -10.599 -10.468 -8.896 360 HA ASP 45 HA ASP 45 -11.324 -8.356 -10.602 361 HB2 ASP 45 HB2 ASP 45 -11.943 -11.296 -10.570 362 HB3 ASP 45 HB1 ASP 45 -12.703 -10.242 -11.756 363 H GLY 46 HN GLY 46 -12.881 -6.928 -10.233 364 HA2 GLY 46 HA2 GLY 46 -15.067 -6.181 -9.994 365 HA3 GLY 46 HA1 GLY 46 -15.571 -7.841 -9.708 366 H GLY 47 HN GLY 47 -12.938 -6.879 -7.800 367 HA2 GLY 47 HA2 GLY 47 -14.487 -7.091 -5.399 368 HA3 GLY 47 HA1 GLY 47 -12.769 -6.738 -5.506 369 HA PRO 48 HA PRO 48 -15.447 -2.955 -4.216 370 HB2 PRO 48 HB2 PRO 48 -13.493 -3.266 -1.968 371 HB3 PRO 48 HB1 PRO 48 -15.180 -2.733 -1.908 372 HG2 PRO 48 HG2 PRO 48 -14.614 -5.137 -1.121 373 HG3 PRO 48 HG1 PRO 48 -15.938 -4.918 -2.272 374 HD2 PRO 48 HD2 PRO 48 -13.128 -5.760 -2.835 375 HD3 PRO 48 HD1 PRO 48 -14.640 -6.505 -3.356 376 H ALA 49 HN ALA 49 -12.061 -3.666 -3.638 377 HA ALA 49 HA ALA 49 -11.103 -1.051 -4.047 378 HB1 ALA 49 HB1 ALA 49 -9.644 -3.668 -4.412 379 HB2 ALA 49 HB2 ALA 49 -9.749 -2.729 -2.925 380 HB3 ALA 49 HB3 ALA 49 -8.879 -2.083 -4.316 381 H SER 50 HN SER 50 -11.636 -3.710 -6.253 382 HA SER 50 HA SER 50 -10.402 -2.622 -8.532 383 HB2 SER 50 HB2 SER 50 -11.527 -4.997 -7.954 384 HB3 SER 50 HB1 SER 50 -12.861 -4.262 -8.838 385 HG SER 50 HG SER 50 -11.193 -3.806 -10.497 386 H GLU 51 HN GLU 51 -13.578 -2.327 -7.117 387 HA GLU 51 HA GLU 51 -14.735 -0.838 -9.264 388 HB2 GLU 51 HB2 GLU 51 -15.621 -1.175 -6.392 389 HB3 GLU 51 HB1 GLU 51 -16.596 -0.466 -7.676 390 HG2 GLU 51 HG2 GLU 51 -16.246 -2.702 -8.881 391 HG3 GLU 51 HG1 GLU 51 -15.744 -3.306 -7.307 392 H ALA 52 HN ALA 52 -13.023 -0.107 -6.357 393 HA ALA 52 HA ALA 52 -13.671 2.676 -6.273 394 HB1 ALA 52 HB1 ALA 52 -11.388 1.226 -4.956 395 HB2 ALA 52 HB2 ALA 52 -13.022 1.333 -4.303 396 HB3 ALA 52 HB3 ALA 52 -12.056 2.796 -4.504 397 H GLY 53 HN GLY 53 -11.391 0.762 -7.990 398 HA2 GLY 53 HA2 GLY 53 -10.364 1.728 -9.942 399 HA3 GLY 53 HA1 GLY 53 -10.202 3.217 -9.034 400 H LEU 54 HN LEU 54 -9.426 0.629 -7.056 401 HA LEU 54 HA LEU 54 -6.679 1.381 -6.984 402 HB2 LEU 54 HB2 LEU 54 -8.382 0.011 -5.316 403 HB3 LEU 54 HB1 LEU 54 -7.304 -1.246 -5.870 404 HG LEU 54 HG LEU 54 -6.747 1.110 -4.132 405 HD11 LEU 54 HD11 LEU 54 -7.065 -1.175 -3.245 406 HD12 LEU 54 HD12 LEU 54 -5.481 -0.486 -2.877 407 HD13 LEU 54 HD13 LEU 54 -5.644 -1.688 -4.159 408 HD21 LEU 54 HD21 LEU 54 -5.192 1.604 -5.833 409 HD22 LEU 54 HD22 LEU 54 -4.780 -0.094 -6.056 410 HD23 LEU 54 HD23 LEU 54 -4.290 0.749 -4.585 411 H ARG 55 HN ARG 55 -5.029 0.589 -8.036 412 HA ARG 55 HA ARG 55 -5.419 -1.775 -9.745 413 HB2 ARG 55 HB2 ARG 55 -3.609 0.568 -10.336 414 HB3 ARG 55 HB1 ARG 55 -4.031 -0.755 -11.414 415 HG2 ARG 55 HG2 ARG 55 -6.128 1.082 -10.330 416 HG3 ARG 55 HG1 ARG 55 -5.177 1.507 -11.748 417 HD2 ARG 55 HD2 ARG 55 -6.031 -0.277 -12.999 418 HD3 ARG 55 HD1 ARG 55 -6.578 -1.131 -11.557 419 HE ARG 55 HE ARG 55 -7.838 1.395 -12.383 420 HH11 ARG 55 HH11 ARG 55 -8.052 -2.022 -11.639 421 HH12 ARG 55 HH12 ARG 55 -9.787 -2.048 -11.657 422 HH21 ARG 55 HH21 ARG 55 -10.132 1.366 -12.398 423 HH22 ARG 55 HH22 ARG 55 -10.973 -0.118 -12.077 424 H GLN 56 HN GLN 56 -3.902 -3.339 -9.630 425 HA GLN 56 HA GLN 56 -2.054 -3.231 -7.476 426 HB2 GLN 56 HB2 GLN 56 -1.247 -5.412 -8.925 427 HB3 GLN 56 HB1 GLN 56 -2.463 -5.418 -7.666 428 HG2 GLN 56 HG2 GLN 56 -4.198 -5.535 -9.129 429 HG3 GLN 56 HG1 GLN 56 -3.268 -4.825 -10.418 430 HE21 GLN 56 HE21 GLN 56 -1.566 -6.123 -11.382 431 HE22 GLN 56 HE22 GLN 56 -1.776 -7.838 -11.459 432 H GLY 57 HN GLY 57 0.097 -2.892 -7.464 433 HA2 GLY 57 HA2 GLY 57 2.239 -2.731 -8.467 434 HA3 GLY 57 HA1 GLY 57 1.475 -2.479 -10.022 435 H ASP 58 HN ASP 58 -0.048 -0.610 -7.675 436 HA ASP 58 HA ASP 58 1.297 1.802 -8.625 437 HB2 ASP 58 HB2 ASP 58 -1.062 1.486 -6.744 438 HB3 ASP 58 HB1 ASP 58 -0.419 3.021 -7.299 439 H LEU 59 HN LEU 59 0.923 3.398 -6.328 440 HA LEU 59 HA LEU 59 2.487 2.088 -4.277 441 HB2 LEU 59 HB2 LEU 59 3.274 4.446 -5.883 442 HB3 LEU 59 HB1 LEU 59 3.532 4.582 -4.156 443 HG LEU 59 HG LEU 59 4.678 2.475 -5.972 444 HD11 LEU 59 HD11 LEU 59 5.713 4.696 -6.175 445 HD12 LEU 59 HD12 LEU 59 6.812 3.520 -5.459 446 HD13 LEU 59 HD13 LEU 59 6.006 4.708 -4.437 447 HD21 LEU 59 HD21 LEU 59 4.296 1.416 -3.885 448 HD22 LEU 59 HD22 LEU 59 4.850 2.829 -2.989 449 HD23 LEU 59 HD23 LEU 59 6.002 1.863 -3.910 450 H ILE 60 HN ILE 60 1.296 2.217 -2.513 451 HA ILE 60 HA ILE 60 -0.693 4.275 -2.243 452 HB ILE 60 HB ILE 60 0.149 2.063 -0.353 453 HG12 ILE 60 HG12 ILE 60 -2.455 2.267 -1.855 454 HG13 ILE 60 HG11 ILE 60 -1.028 1.570 -2.613 455 HG21 ILE 60 HG21 ILE 60 -1.985 2.588 0.834 456 HG22 ILE 60 HG22 ILE 60 -2.101 4.058 -0.133 457 HG23 ILE 60 HG23 ILE 60 -0.749 3.837 0.977 458 HD11 ILE 60 HD11 ILE 60 -0.912 -0.098 -0.825 459 HD12 ILE 60 HD12 ILE 60 -2.442 -0.155 -1.702 460 HD13 ILE 60 HD13 ILE 60 -2.367 0.592 -0.106 461 H THR 61 HN THR 61 -0.170 6.241 -1.553 462 HA THR 61 HA THR 61 2.240 6.578 0.062 463 HB THR 61 HB THR 61 2.289 7.975 -1.837 464 HG1 THR 61 HG1 THR 61 1.635 9.312 0.561 465 HG21 THR 61 HG21 THR 61 0.530 9.467 -2.526 466 HG22 THR 61 HG22 THR 61 -0.426 9.063 -1.102 467 HG23 THR 61 HG23 THR 61 -0.144 7.847 -2.347 468 H HIS 62 HN HIS 62 -1.244 7.035 0.257 469 HA HIS 62 HA HIS 62 -0.904 7.553 3.114 470 HB2 HIS 62 HB2 HIS 62 -2.744 9.269 1.434 471 HB3 HIS 62 HB1 HIS 62 -2.541 9.351 3.171 472 HD2 HIS 62 HD2 HIS 62 -0.281 10.666 4.080 473 HE1 HIS 62 HE1 HIS 62 0.812 12.140 0.271 474 HE2 HIS 62 HE2 HIS 62 1.159 12.381 2.767 475 H VAL 63 HN VAL 63 -2.614 6.934 4.383 476 HA VAL 63 HA VAL 63 -4.796 5.492 3.021 477 HB VAL 63 HB VAL 63 -3.288 4.686 5.518 478 HG11 VAL 63 HG11 VAL 63 -5.746 3.387 4.351 479 HG12 VAL 63 HG12 VAL 63 -5.739 4.412 5.785 480 HG13 VAL 63 HG13 VAL 63 -4.864 2.881 5.792 481 HG21 VAL 63 HG21 VAL 63 -2.266 4.059 3.361 482 HG22 VAL 63 HG22 VAL 63 -3.753 3.217 2.924 483 HG23 VAL 63 HG23 VAL 63 -2.790 2.655 4.290 484 H ASN 64 HN ASN 64 -6.587 6.647 3.341 485 HA ASN 64 HA ASN 64 -8.258 7.809 4.353 486 HB2 ASN 64 HB2 ASN 64 -6.935 6.806 6.886 487 HB3 ASN 64 HB1 ASN 64 -8.459 7.685 6.860 488 HD21 ASN 64 HD21 ASN 64 -7.639 4.900 7.620 489 HD22 ASN 64 HD22 ASN 64 -8.735 3.881 6.763 490 H GLY 65 HN GLY 65 -5.476 8.894 3.842 491 HA2 GLY 65 HA2 GLY 65 -4.839 11.152 3.759 492 HA3 GLY 65 HA1 GLY 65 -5.959 11.491 5.071 493 H GLU 66 HN GLU 66 -4.014 8.768 5.629 494 HA GLU 66 HA GLU 66 -2.417 10.322 7.541 495 HB2 GLU 66 HB2 GLU 66 -2.705 7.327 7.437 496 HB3 GLU 66 HB1 GLU 66 -2.135 8.303 8.781 497 HG2 GLU 66 HG2 GLU 66 -4.931 8.565 7.754 498 HG3 GLU 66 HG1 GLU 66 -4.487 7.286 8.876 499 HA PRO 67 HA PRO 67 1.099 9.574 4.874 500 HB2 PRO 67 HB2 PRO 67 2.762 10.356 7.147 501 HB3 PRO 67 HB1 PRO 67 2.555 11.160 5.592 502 HG2 PRO 67 HG2 PRO 67 1.588 12.179 7.914 503 HG3 PRO 67 HG1 PRO 67 0.821 12.457 6.345 504 HD2 PRO 67 HD2 PRO 67 0.039 10.590 8.524 505 HD3 PRO 67 HD1 PRO 67 -0.982 11.547 7.437 506 H VAL 68 HN VAL 68 1.373 7.425 4.639 507 HA VAL 68 HA VAL 68 2.119 5.819 6.959 508 HB VAL 68 HB VAL 68 1.672 3.870 5.601 509 HG11 VAL 68 HG11 VAL 68 -0.731 4.181 5.260 510 HG12 VAL 68 HG12 VAL 68 -0.520 5.929 5.370 511 HG13 VAL 68 HG13 VAL 68 -0.194 4.910 6.772 512 HG21 VAL 68 HG21 VAL 68 0.797 4.066 3.315 513 HG22 VAL 68 HG22 VAL 68 2.442 4.691 3.439 514 HG23 VAL 68 HG23 VAL 68 1.078 5.807 3.362 515 H HIS 69 HN HIS 69 3.728 7.578 4.774 516 HA HIS 69 HA HIS 69 5.718 5.807 3.815 517 HB2 HIS 69 HB2 HIS 69 5.171 8.106 2.909 518 HB3 HIS 69 HB1 HIS 69 6.014 8.776 4.299 519 HD2 HIS 69 HD2 HIS 69 8.835 8.198 4.340 520 HE1 HIS 69 HE1 HIS 69 8.917 7.396 0.186 521 HE2 HIS 69 HE2 HIS 69 10.290 8.103 2.193 522 H GLY 70 HN GLY 70 6.474 4.557 5.490 523 HA2 GLY 70 HA2 GLY 70 8.711 4.813 6.750 524 HA3 GLY 70 HA1 GLY 70 7.781 5.937 7.731 525 H LEU 71 HN LEU 71 5.326 4.217 7.410 526 HA LEU 71 HA LEU 71 5.654 2.690 9.761 527 HB2 LEU 71 HB2 LEU 71 3.534 2.746 7.647 528 HB3 LEU 71 HB1 LEU 71 3.442 1.705 9.042 529 HG LEU 71 HG LEU 71 3.527 4.686 9.098 530 HD11 LEU 71 HD11 LEU 71 1.480 4.030 8.222 531 HD12 LEU 71 HD12 LEU 71 1.183 4.362 9.931 532 HD13 LEU 71 HD13 LEU 71 1.336 2.691 9.365 533 HD21 LEU 71 HD21 LEU 71 2.871 4.344 11.496 534 HD22 LEU 71 HD22 LEU 71 4.533 3.909 11.104 535 HD23 LEU 71 HD23 LEU 71 3.313 2.651 11.291 536 H VAL 72 HN VAL 72 4.914 0.434 9.878 537 HA VAL 72 HA VAL 72 6.470 -1.237 8.094 538 HB VAL 72 HB VAL 72 5.874 -3.068 9.629 539 HG11 VAL 72 HG11 VAL 72 6.828 -0.601 11.072 540 HG12 VAL 72 HG12 VAL 72 7.830 -1.711 10.140 541 HG13 VAL 72 HG13 VAL 72 7.042 -2.262 11.618 542 HG21 VAL 72 HG21 VAL 72 3.963 -1.033 10.648 543 HG22 VAL 72 HG22 VAL 72 4.729 -2.093 11.840 544 HG23 VAL 72 HG23 VAL 72 3.802 -2.790 10.513 545 H HIS 73 HN HIS 73 5.301 -3.387 7.522 546 HA HIS 73 HA HIS 73 3.273 -2.823 5.701 547 HB2 HIS 73 HB2 HIS 73 4.764 -4.769 5.564 548 HB3 HIS 73 HB1 HIS 73 3.975 -5.473 6.965 549 HD1 HIS 73 HD1 HIS 73 2.705 -4.141 3.600 550 HD2 HIS 73 HD2 HIS 73 2.262 -7.356 6.197 551 HE1 HIS 73 HE1 HIS 73 1.030 -5.701 2.525 552 H THR 74 HN THR 74 3.037 -4.218 8.956 553 HA THR 74 HA THR 74 0.222 -4.616 8.803 554 HB THR 74 HB THR 74 0.471 -4.872 11.328 555 HG1 THR 74 HG1 THR 74 2.368 -4.357 12.123 556 HG21 THR 74 HG21 THR 74 2.091 -6.600 9.460 557 HG22 THR 74 HG22 THR 74 0.366 -6.754 9.785 558 HG23 THR 74 HG23 THR 74 1.537 -7.073 11.065 559 H GLU 75 HN GLU 75 2.187 -1.884 9.979 560 HA GLU 75 HA GLU 75 0.199 -0.651 11.498 561 HB2 GLU 75 HB2 GLU 75 2.556 0.512 10.012 562 HB3 GLU 75 HB1 GLU 75 1.435 1.476 10.897 563 HG2 GLU 75 HG2 GLU 75 2.627 -0.821 12.300 564 HG3 GLU 75 HG1 GLU 75 3.606 0.624 12.046 565 H VAL 76 HN VAL 76 1.004 -0.398 8.085 566 HA VAL 76 HA VAL 76 -1.071 1.498 7.559 567 HB VAL 76 HB VAL 76 -0.510 1.331 5.256 568 HG11 VAL 76 HG11 VAL 76 1.112 2.415 6.781 569 HG12 VAL 76 HG12 VAL 76 1.849 1.793 5.303 570 HG13 VAL 76 HG13 VAL 76 2.029 0.911 6.821 571 HG21 VAL 76 HG21 VAL 76 0.971 -0.377 4.331 572 HG22 VAL 76 HG22 VAL 76 -0.478 -1.107 5.024 573 HG23 VAL 76 HG23 VAL 76 1.047 -1.173 5.904 574 H VAL 77 HN VAL 77 -0.760 -2.015 7.338 575 HA VAL 77 HA VAL 77 -3.119 -2.632 5.984 576 HB VAL 77 HB VAL 77 -1.478 -4.099 8.030 577 HG11 VAL 77 HG11 VAL 77 -3.868 -4.688 8.427 578 HG12 VAL 77 HG12 VAL 77 -2.861 -6.040 7.912 579 HG13 VAL 77 HG13 VAL 77 -3.950 -5.264 6.762 580 HG21 VAL 77 HG21 VAL 77 -1.114 -5.638 6.152 581 HG22 VAL 77 HG22 VAL 77 -0.648 -3.985 5.753 582 HG23 VAL 77 HG23 VAL 77 -2.167 -4.644 5.145 583 H GLU 78 HN GLU 78 -2.552 -2.348 9.471 584 HA GLU 78 HA GLU 78 -5.214 -2.678 10.245 585 HB2 GLU 78 HB2 GLU 78 -2.986 -1.244 11.570 586 HB3 GLU 78 HB1 GLU 78 -4.513 -1.606 12.342 587 HG2 GLU 78 HG2 GLU 78 -4.016 -3.977 11.560 588 HG3 GLU 78 HG1 GLU 78 -2.357 -3.436 11.481 589 H LEU 79 HN LEU 79 -3.303 0.158 9.701 590 HA LEU 79 HA LEU 79 -5.037 2.208 10.220 591 HB2 LEU 79 HB2 LEU 79 -2.646 1.936 8.826 592 HB3 LEU 79 HB1 LEU 79 -3.744 2.641 7.657 593 HG LEU 79 HG LEU 79 -4.274 4.348 9.541 594 HD11 LEU 79 HD11 LEU 79 -2.483 4.743 11.095 595 HD12 LEU 79 HD12 LEU 79 -1.553 3.404 10.421 596 HD13 LEU 79 HD13 LEU 79 -3.057 3.086 11.285 597 HD21 LEU 79 HD21 LEU 79 -1.929 4.168 7.730 598 HD22 LEU 79 HD22 LEU 79 -2.010 5.515 8.869 599 HD23 LEU 79 HD23 LEU 79 -3.307 5.274 7.695 600 H ILE 80 HN ILE 80 -4.739 0.586 7.030 601 HA ILE 80 HA ILE 80 -6.901 1.694 5.751 602 HB ILE 80 HB ILE 80 -5.866 -1.136 5.626 603 HG12 ILE 80 HG12 ILE 80 -5.235 1.004 3.657 604 HG13 ILE 80 HG11 ILE 80 -4.396 0.996 5.192 605 HG21 ILE 80 HG21 ILE 80 -8.081 -0.943 4.654 606 HG22 ILE 80 HG22 ILE 80 -6.859 -1.248 3.418 607 HG23 ILE 80 HG23 ILE 80 -7.524 0.373 3.618 608 HD11 ILE 80 HD11 ILE 80 -3.479 -1.113 4.797 609 HD12 ILE 80 HD12 ILE 80 -3.222 -0.167 3.328 610 HD13 ILE 80 HD13 ILE 80 -4.499 -1.385 3.383 611 H LEU 81 HN LEU 81 -6.835 -1.356 7.546 612 HA LEU 81 HA LEU 81 -9.496 -2.043 7.468 613 HB2 LEU 81 HB2 LEU 81 -7.456 -2.442 9.645 614 HB3 LEU 81 HB1 LEU 81 -9.043 -3.178 9.695 615 HG LEU 81 HG LEU 81 -7.064 -3.630 7.465 616 HD11 LEU 81 HD11 LEU 81 -6.567 -5.757 8.492 617 HD12 LEU 81 HD12 LEU 81 -7.665 -5.403 9.826 618 HD13 LEU 81 HD13 LEU 81 -6.196 -4.450 9.617 619 HD21 LEU 81 HD21 LEU 81 -9.589 -5.083 8.246 620 HD22 LEU 81 HD22 LEU 81 -8.500 -5.529 6.932 621 HD23 LEU 81 HD23 LEU 81 -9.397 -4.015 6.857 622 H LYS 82 HN LYS 82 -7.948 0.178 9.780 623 HA LYS 82 HA LYS 82 -10.134 0.525 11.477 624 HB2 LYS 82 HB2 LYS 82 -7.831 2.361 10.902 625 HB3 LYS 82 HB1 LYS 82 -8.957 2.545 12.248 626 HG2 LYS 82 HG2 LYS 82 -8.331 0.202 12.900 627 HG3 LYS 82 HG1 LYS 82 -7.041 0.322 11.733 628 HD2 LYS 82 HD2 LYS 82 -7.255 2.539 13.677 629 HD3 LYS 82 HD1 LYS 82 -6.731 0.982 14.313 630 HE2 LYS 82 HE2 LYS 82 -5.055 0.977 12.373 631 HE3 LYS 82 HE1 LYS 82 -5.428 2.694 12.224 632 HZ1 LYS 82 HZ1 LYS 82 -4.483 1.410 14.729 633 HZ2 LYS 82 HZ2 LYS 82 -4.673 3.065 14.441 634 HZ3 LYS 82 HZ3 LYS 82 -3.468 2.202 13.631 635 H SER 83 HN SER 83 -9.799 1.700 8.298 636 HA SER 83 HA SER 83 -10.870 4.216 8.307 637 HB2 SER 83 HB2 SER 83 -11.732 3.713 6.053 638 HB3 SER 83 HB1 SER 83 -10.094 3.105 6.281 639 HG SER 83 HG SER 83 -12.238 1.755 5.543 640 H GLY 84 HN GLY 84 -12.866 1.278 7.857 641 HA2 GLY 84 HA2 GLY 84 -14.900 0.856 9.011 642 HA3 GLY 84 HA1 GLY 84 -15.002 2.566 9.398 643 H ASN 85 HN ASN 85 -15.952 0.098 7.307 644 HA ASN 85 HA ASN 85 -17.548 -0.014 5.707 645 HB2 ASN 85 HB2 ASN 85 -19.013 1.549 6.599 646 HB3 ASN 85 HB1 ASN 85 -17.858 2.869 6.459 647 HD21 ASN 85 HD21 ASN 85 -19.749 0.638 4.444 648 HD22 ASN 85 HD22 ASN 85 -20.068 1.788 3.194 649 H LYS 86 HN LYS 86 -15.359 2.751 5.242 650 HA LYS 86 HA LYS 86 -14.511 1.610 2.751 651 HB2 LYS 86 HB2 LYS 86 -14.786 3.720 1.524 652 HB3 LYS 86 HB1 LYS 86 -16.301 2.969 1.958 653 HG2 LYS 86 HG2 LYS 86 -16.176 4.514 4.031 654 HG3 LYS 86 HG1 LYS 86 -15.041 5.411 3.027 655 HD2 LYS 86 HD2 LYS 86 -16.829 5.355 1.229 656 HD3 LYS 86 HD1 LYS 86 -17.920 4.800 2.499 657 HE2 LYS 86 HE2 LYS 86 -17.519 6.819 3.771 658 HE3 LYS 86 HE1 LYS 86 -16.339 7.365 2.579 659 HZ1 LYS 86 HZ1 LYS 86 -19.224 6.915 2.051 660 HZ2 LYS 86 HZ2 LYS 86 -18.087 7.488 0.937 661 HZ3 LYS 86 HZ3 LYS 86 -18.497 8.424 2.281 662 H VAL 87 HN VAL 87 -12.655 2.623 1.934 663 HA VAL 87 HA VAL 87 -11.215 4.273 3.897 664 HB VAL 87 HB VAL 87 -10.526 2.031 4.365 665 HG11 VAL 87 HG11 VAL 87 -11.227 1.052 2.215 666 HG12 VAL 87 HG12 VAL 87 -9.618 0.524 2.718 667 HG13 VAL 87 HG13 VAL 87 -9.787 1.746 1.457 668 HG21 VAL 87 HG21 VAL 87 -8.774 3.758 4.391 669 HG22 VAL 87 HG22 VAL 87 -8.380 3.372 2.716 670 HG23 VAL 87 HG23 VAL 87 -8.129 2.170 3.980 671 H ALA 88 HN ALA 88 -10.059 5.877 3.045 672 HA ALA 88 HA ALA 88 -10.009 6.103 0.133 673 HB1 ALA 88 HB1 ALA 88 -10.859 8.016 1.355 674 HB2 ALA 88 HB2 ALA 88 -9.369 8.420 0.502 675 HB3 ALA 88 HB3 ALA 88 -9.341 8.140 2.245 676 H ILE 89 HN ILE 89 -8.374 5.087 -0.704 677 HA ILE 89 HA ILE 89 -5.759 5.179 0.620 678 HB ILE 89 HB ILE 89 -6.631 3.416 -1.672 679 HG12 ILE 89 HG12 ILE 89 -6.844 3.106 1.287 680 HG13 ILE 89 HG11 ILE 89 -7.913 2.557 0.014 681 HG21 ILE 89 HG21 ILE 89 -4.651 2.099 -1.008 682 HG22 ILE 89 HG22 ILE 89 -4.209 3.398 0.100 683 HG23 ILE 89 HG23 ILE 89 -4.265 3.701 -1.636 684 HD11 ILE 89 HD11 ILE 89 -6.934 0.667 1.104 685 HD12 ILE 89 HD12 ILE 89 -5.312 1.301 0.819 686 HD13 ILE 89 HD13 ILE 89 -6.307 0.780 -0.540 687 H SER 90 HN SER 90 -4.478 6.755 -0.044 688 HA SER 90 HA SER 90 -4.812 8.015 -2.607 689 HB2 SER 90 HB2 SER 90 -2.540 8.450 -0.669 690 HB3 SER 90 HB1 SER 90 -3.201 9.582 -1.846 691 HG SER 90 HG SER 90 -4.284 10.258 -0.158 692 H THR 91 HN THR 91 -4.057 7.090 -4.393 693 HA THR 91 HA THR 91 -1.679 5.394 -4.223 694 HB THR 91 HB THR 91 -2.450 4.696 -6.579 695 HG1 THR 91 HG1 THR 91 -4.588 5.148 -7.074 696 HG21 THR 91 HG21 THR 91 -2.677 3.178 -4.744 697 HG22 THR 91 HG22 THR 91 -4.211 3.178 -5.622 698 HG23 THR 91 HG23 THR 91 -4.057 4.071 -4.106 699 H THR 92 HN THR 92 -0.382 5.376 -6.290 700 HA THR 92 HA THR 92 -0.196 7.603 -7.994 701 HB THR 92 HB THR 92 0.547 8.813 -6.002 702 HG1 THR 92 HG1 THR 92 2.950 8.997 -6.770 703 HG21 THR 92 HG21 THR 92 1.282 6.860 -4.694 704 HG22 THR 92 HG22 THR 92 2.481 8.154 -4.707 705 HG23 THR 92 HG23 THR 92 2.711 6.728 -5.722 706 HA PRO 93 HA PRO 93 2.117 4.647 -10.383 707 HB2 PRO 93 HB2 PRO 93 4.181 6.790 -10.600 708 HB3 PRO 93 HB1 PRO 93 3.515 5.762 -11.865 709 HG2 PRO 93 HG2 PRO 93 2.670 8.263 -11.621 710 HG3 PRO 93 HG1 PRO 93 1.510 6.963 -11.963 711 HD2 PRO 93 HD2 PRO 93 2.004 8.445 -9.422 712 HD3 PRO 93 HD1 PRO 93 0.495 7.760 -10.056 713 H LEU 94 HN LEU 94 3.806 3.257 -10.261 714 HA LEU 94 HA LEU 94 5.499 3.485 -7.872 715 HB2 LEU 94 HB2 LEU 94 4.268 1.504 -7.631 716 HB3 LEU 94 HB1 LEU 94 4.367 1.122 -9.339 717 HG LEU 94 HG LEU 94 6.832 0.674 -8.994 718 HD11 LEU 94 HD11 LEU 94 6.038 0.775 -6.090 719 HD12 LEU 94 HD12 LEU 94 7.141 1.882 -6.910 720 HD13 LEU 94 HD13 LEU 94 7.574 0.184 -6.724 721 HD21 LEU 94 HD21 LEU 94 6.427 -1.539 -7.944 722 HD22 LEU 94 HD22 LEU 94 5.301 -1.145 -9.243 723 HD23 LEU 94 HD23 LEU 94 4.788 -1.008 -7.560 724 H GLU 95 HN GLU 95 6.914 4.877 -8.976 725 HA GLU 95 HA GLU 95 8.454 3.658 -11.154 726 HB2 GLU 95 HB2 GLU 95 8.648 6.498 -10.220 727 HB3 GLU 95 HB1 GLU 95 9.173 5.835 -11.752 728 HG2 GLU 95 HG2 GLU 95 6.279 5.622 -11.148 729 HG3 GLU 95 HG1 GLU 95 6.914 7.235 -11.474 730 H ASN 96 HN ASN 96 10.319 2.826 -10.685 731 HA ASN 96 HA ASN 96 12.171 3.929 -8.823 732 HB2 ASN 96 HB2 ASN 96 10.679 2.817 -7.219 733 HB3 ASN 96 HB1 ASN 96 10.826 1.308 -8.112 734 HD21 ASN 96 HD21 ASN 96 12.612 0.052 -7.854 735 HD22 ASN 96 HD22 ASN 96 13.842 0.362 -6.673 736 H2 PRO 97 HT1 PRO 97 11.975 -9.785 -7.613 737 H3 PRO 97 HT2 PRO 97 10.480 -10.351 -7.964 738 HA PRO 97 HA PRO 97 9.451 -8.724 -7.057 739 HB2 PRO 97 HB2 PRO 97 11.059 -7.737 -4.939 740 HB3 PRO 97 HB1 PRO 97 9.547 -8.647 -4.811 741 HG2 PRO 97 HG2 PRO 97 12.348 -9.614 -4.687 742 HG3 PRO 97 HG1 PRO 97 10.896 -10.260 -3.901 743 HD2 PRO 97 HD2 PRO 97 11.990 -11.526 -5.979 744 HD3 PRO 97 HD1 PRO 97 10.229 -11.420 -5.816 745 H PHE 98 HN PHE 98 10.196 -6.255 -6.311 746 HA PHE 98 HA PHE 98 11.990 -5.482 -8.489 747 HB2 PHE 98 HB2 PHE 98 10.126 -3.723 -6.880 748 HB3 PHE 98 HB1 PHE 98 10.994 -3.275 -8.342 749 HD1 PHE 98 HD1 PHE 98 10.526 -5.416 -10.188 750 HD2 PHE 98 HD2 PHE 98 7.877 -3.740 -7.308 751 HE1 PHE 98 HE1 PHE 98 8.603 -6.137 -11.542 752 HE2 PHE 98 HE2 PHE 98 5.952 -4.462 -8.655 753 HZ PHE 98 HZ PHE 98 6.312 -5.661 -10.776 754 H ASP 99 HN ASP 99 13.602 -3.923 -8.170 755 HA ASP 99 HA ASP 99 15.386 -2.978 -7.163 756 HB2 ASP 99 HB2 ASP 99 13.336 -1.927 -5.851 757 HB3 ASP 99 HB1 ASP 99 14.027 -2.839 -4.512 758 H GLU 100 HN GLU 100 15.902 -3.268 -4.198 759 HA GLU 100 HA GLU 100 17.234 -5.872 -4.418 760 HB2 GLU 100 HB2 GLU 100 17.742 -3.914 -2.208 761 HB3 GLU 100 HB1 GLU 100 18.843 -5.067 -2.944 762 HG2 GLU 100 HG2 GLU 100 17.811 -2.593 -4.304 763 HG3 GLU 100 HG1 GLU 100 19.361 -2.709 -3.474 764 H ASP 101 HN ASP 101 14.548 -6.118 -3.934 765 HA ASP 101 HA ASP 101 13.882 -6.186 -1.187 766 HB2 ASP 101 HB2 ASP 101 12.156 -6.102 -2.928 767 HB3 ASP 101 HB1 ASP 101 12.626 -7.709 -3.477 768 H GLN 102 HN GLN 102 13.998 -7.727 0.308 769 HA GLN 102 HA GLN 102 14.966 -10.393 -0.422 770 HB2 GLN 102 HB2 GLN 102 16.441 -10.276 1.668 771 HB3 GLN 102 HB1 GLN 102 16.993 -9.382 0.262 772 HG2 GLN 102 HG2 GLN 102 16.486 -7.329 1.201 773 HG3 GLN 102 HG1 GLN 102 15.372 -8.031 2.372 774 HE21 GLN 102 HE21 GLN 102 18.750 -7.621 1.534 775 HE22 GLN 102 HE22 GLN 102 19.370 -7.906 3.124 776 H HIS 103 HN HIS 103 12.505 -8.842 0.657 777 HA HIS 103 HA HIS 103 11.419 -10.904 2.224 778 HB2 HIS 103 HB2 HIS 103 13.086 -9.545 3.802 779 HB3 HIS 103 HB1 HIS 103 11.708 -8.459 3.921 780 HD2 HIS 103 HD2 HIS 103 10.678 -12.135 3.740 781 HE1 HIS 103 HE1 HIS 103 10.677 -11.000 7.816 782 HE2 HIS 103 HE2 HIS 103 10.205 -12.877 6.178 783 H THR 104 HN THR 104 9.928 -10.466 0.498 784 HA THR 104 HA THR 104 8.505 -7.946 0.491 785 HB THR 104 HB THR 104 7.322 -10.156 -1.026 786 HG1 THR 104 HG1 THR 104 10.055 -9.416 -1.389 787 HG21 THR 104 HG21 THR 104 6.780 -7.770 -1.343 788 HG22 THR 104 HG22 THR 104 7.376 -8.528 -2.820 789 HG23 THR 104 HG23 THR 104 8.438 -7.485 -1.874 790 H GLN 105 HN GLN 105 7.135 -7.633 2.146 791 HA GLN 105 HA GLN 105 5.800 -9.789 3.467 792 HB2 GLN 105 HB2 GLN 105 5.151 -6.845 3.664 793 HB3 GLN 105 HB1 GLN 105 4.751 -8.101 4.826 794 HG2 GLN 105 HG2 GLN 105 7.514 -7.127 4.139 795 HG3 GLN 105 HG1 GLN 105 6.611 -6.774 5.613 796 HE21 GLN 105 HE21 GLN 105 6.365 -8.376 7.158 797 HE22 GLN 105 HE22 GLN 105 7.341 -9.801 7.168 798 H ILE 106 HN ILE 106 3.487 -10.108 3.580 799 HA ILE 106 HA ILE 106 1.851 -8.903 1.514 800 HB ILE 106 HB ILE 106 2.729 -10.602 0.153 801 HG12 ILE 106 HG12 ILE 106 0.155 -11.685 1.327 802 HG13 ILE 106 HG11 ILE 106 0.277 -10.464 0.064 803 HG21 ILE 106 HG21 ILE 106 2.851 -12.980 0.833 804 HG22 ILE 106 HG22 ILE 106 2.359 -12.508 2.459 805 HG23 ILE 106 HG23 ILE 106 3.884 -11.921 1.794 806 HD11 ILE 106 HD11 ILE 106 1.258 -13.299 -0.175 807 HD12 ILE 106 HD12 ILE 106 1.237 -12.076 -1.446 808 HD13 ILE 106 HD13 ILE 106 -0.279 -12.695 -0.795 809 H THR 107 HN THR 107 -0.189 -8.710 2.166 810 HA THR 107 HA THR 107 -1.438 -10.620 3.914 811 HB THR 107 HB THR 107 -0.672 -7.882 4.925 812 HG1 THR 107 HG1 THR 107 0.507 -10.020 5.299 813 HG21 THR 107 HG21 THR 107 -3.090 -8.140 5.307 814 HG22 THR 107 HG22 THR 107 -2.184 -8.189 6.819 815 HG23 THR 107 HG23 THR 107 -2.794 -9.683 6.106 816 H LYS 108 HN LYS 108 -3.557 -10.664 3.655 817 HA LYS 108 HA LYS 108 -4.772 -9.012 1.650 818 HB2 LYS 108 HB2 LYS 108 -6.003 -11.021 3.557 819 HB3 LYS 108 HB1 LYS 108 -6.793 -10.338 2.148 820 HG2 LYS 108 HG2 LYS 108 -5.223 -11.434 0.679 821 HG3 LYS 108 HG1 LYS 108 -4.313 -12.036 2.063 822 HD2 LYS 108 HD2 LYS 108 -7.196 -12.711 1.495 823 HD3 LYS 108 HD1 LYS 108 -5.828 -13.727 1.043 824 HE2 LYS 108 HE2 LYS 108 -5.187 -13.862 3.423 825 HE3 LYS 108 HE1 LYS 108 -6.618 -12.922 3.841 826 HZ1 LYS 108 HZ1 LYS 108 -7.958 -14.703 2.793 827 HZ2 LYS 108 HZ2 LYS 108 -7.102 -15.213 4.157 828 HZ3 LYS 108 HZ3 LYS 108 -6.549 -15.619 2.613 829 H VAL 109 HN VAL 109 -5.820 -7.091 2.022 830 HA VAL 109 HA VAL 109 -6.571 -6.568 4.813 831 HB VAL 109 HB VAL 109 -4.569 -5.327 4.483 832 HG11 VAL 109 HG11 VAL 109 -4.527 -5.383 2.033 833 HG12 VAL 109 HG12 VAL 109 -4.211 -3.767 2.666 834 HG13 VAL 109 HG13 VAL 109 -5.793 -4.157 1.992 835 HG21 VAL 109 HG21 VAL 109 -6.250 -4.133 5.708 836 HG22 VAL 109 HG22 VAL 109 -6.971 -3.533 4.216 837 HG23 VAL 109 HG23 VAL 109 -5.363 -2.992 4.697 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 5.806 20.181 -2.342 2 H2 GLY 1 HT2 GLY 1 6.347 20.404 -3.928 3 H3 GLY 1 HT3 GLY 1 6.381 18.863 -3.232 4 HA2 GLY 1 HA1 GLY 1 3.886 20.384 -3.659 5 HA3 GLY 1 HA2 GLY 1 4.534 19.261 -4.845 6 H GLY 2 HN GLY 2 2.702 19.611 -1.989 7 HA2 GLY 2 HA2 GLY 2 2.938 16.899 -1.068 8 HA3 GLY 2 HA1 GLY 2 1.749 18.082 -0.536 9 H SER 3 HN SER 3 -0.124 18.427 -1.873 10 HA SER 3 HA SER 3 -1.254 15.997 -2.807 11 HB2 SER 3 HB2 SER 3 -2.371 18.736 -3.393 12 HB3 SER 3 HB1 SER 3 -3.243 17.229 -3.111 13 HG SER 3 HG SER 3 -2.592 17.318 -0.936 14 H MET 4 HN MET 4 -0.660 15.075 -4.654 15 HA MET 4 HA MET 4 -0.710 16.598 -7.118 16 HB2 MET 4 HB2 MET 4 1.580 16.960 -6.405 17 HB3 MET 4 HB1 MET 4 1.801 15.239 -6.132 18 HG2 MET 4 HG2 MET 4 2.885 15.777 -8.159 19 HG3 MET 4 HG1 MET 4 1.421 14.885 -8.572 20 HE1 MET 4 HE1 MET 4 1.745 15.742 -11.100 21 HE2 MET 4 HE2 MET 4 3.178 16.637 -10.597 22 HE3 MET 4 HE3 MET 4 1.915 17.443 -11.529 23 H ARG 5 HN ARG 5 -0.148 13.529 -5.481 24 HA ARG 5 HA ARG 5 -0.904 12.079 -7.898 25 HB2 ARG 5 HB2 ARG 5 0.460 11.303 -5.354 26 HB3 ARG 5 HB1 ARG 5 -0.310 10.071 -6.340 27 HG2 ARG 5 HG2 ARG 5 1.930 10.066 -7.003 28 HG3 ARG 5 HG1 ARG 5 1.088 10.957 -8.269 29 HD2 ARG 5 HD2 ARG 5 1.742 13.070 -7.077 30 HD3 ARG 5 HD1 ARG 5 2.761 12.081 -6.030 31 HE ARG 5 HE ARG 5 3.294 11.625 -8.801 32 HH11 ARG 5 HH11 ARG 5 3.982 13.782 -6.125 33 HH12 ARG 5 HH12 ARG 5 5.476 14.344 -6.809 34 HH21 ARG 5 HH21 ARG 5 5.250 12.354 -9.685 35 HH22 ARG 5 HH22 ARG 5 6.198 13.527 -8.825 36 HA PRO 6 HA PRO 6 -5.064 11.916 -6.201 37 HB2 PRO 6 HB2 PRO 6 -6.072 10.377 -8.227 38 HB3 PRO 6 HB1 PRO 6 -5.852 12.121 -8.336 39 HG2 PRO 6 HG2 PRO 6 -4.094 9.918 -9.321 40 HG3 PRO 6 HG1 PRO 6 -4.613 11.402 -10.132 41 HD2 PRO 6 HD2 PRO 6 -2.192 11.215 -9.014 42 HD3 PRO 6 HD1 PRO 6 -3.110 12.731 -8.949 43 HA PRO 7 HA PRO 7 -4.510 8.022 -4.073 44 HB2 PRO 7 HB2 PRO 7 -7.166 8.566 -2.955 45 HB3 PRO 7 HB1 PRO 7 -5.619 8.379 -2.128 46 HG2 PRO 7 HG2 PRO 7 -6.849 10.759 -2.341 47 HG3 PRO 7 HG1 PRO 7 -5.083 10.603 -2.342 48 HD2 PRO 7 HD2 PRO 7 -6.945 11.042 -4.645 49 HD3 PRO 7 HD1 PRO 7 -5.336 11.732 -4.346 50 H ILE 8 HN ILE 8 -5.346 5.997 -4.105 51 HA ILE 8 HA ILE 8 -7.235 5.401 -6.239 52 HB ILE 8 HB ILE 8 -5.539 3.554 -4.564 53 HG12 ILE 8 HG12 ILE 8 -4.318 5.250 -6.036 54 HG13 ILE 8 HG11 ILE 8 -3.910 3.557 -6.256 55 HG21 ILE 8 HG21 ILE 8 -7.343 2.326 -5.468 56 HG22 ILE 8 HG22 ILE 8 -5.936 1.976 -6.471 57 HG23 ILE 8 HG23 ILE 8 -7.169 3.099 -7.042 58 HD11 ILE 8 HD11 ILE 8 -5.461 3.508 -8.205 59 HD12 ILE 8 HD12 ILE 8 -4.058 4.558 -8.400 60 HD13 ILE 8 HD13 ILE 8 -5.635 5.257 -8.030 61 H ILE 9 HN ILE 9 -9.217 5.966 -5.204 62 HA ILE 9 HA ILE 9 -9.937 5.047 -2.635 63 HB ILE 9 HB ILE 9 -11.560 6.094 -4.943 64 HG12 ILE 9 HG12 ILE 9 -11.824 8.049 -3.654 65 HG13 ILE 9 HG11 ILE 9 -11.151 7.305 -2.226 66 HG21 ILE 9 HG21 ILE 9 -13.407 6.284 -3.194 67 HG22 ILE 9 HG22 ILE 9 -12.496 5.071 -2.292 68 HG23 ILE 9 HG23 ILE 9 -13.110 4.696 -3.903 69 HD11 ILE 9 HD11 ILE 9 -8.954 7.301 -3.293 70 HD12 ILE 9 HD12 ILE 9 -9.632 8.927 -3.197 71 HD13 ILE 9 HD13 ILE 9 -9.658 8.049 -4.728 72 H ILE 10 HN ILE 10 -9.720 2.907 -2.364 73 HA ILE 10 HA ILE 10 -11.009 1.037 -4.183 74 HB ILE 10 HB ILE 10 -9.346 0.483 -1.726 75 HG12 ILE 10 HG12 ILE 10 -8.461 0.315 -4.594 76 HG13 ILE 10 HG11 ILE 10 -8.253 1.779 -3.644 77 HG21 ILE 10 HG21 ILE 10 -10.689 -1.411 -2.294 78 HG22 ILE 10 HG22 ILE 10 -9.050 -1.732 -2.865 79 HG23 ILE 10 HG23 ILE 10 -10.299 -1.239 -4.005 80 HD11 ILE 10 HD11 ILE 10 -6.888 0.520 -2.050 81 HD12 ILE 10 HD12 ILE 10 -6.223 0.476 -3.685 82 HD13 ILE 10 HD13 ILE 10 -7.086 -0.923 -3.043 83 H HIS 11 HN HIS 11 -12.831 0.045 -3.758 84 HA HIS 11 HA HIS 11 -14.344 0.747 -1.402 85 HB2 HIS 11 HB2 HIS 11 -14.913 -0.931 -3.845 86 HB3 HIS 11 HB1 HIS 11 -16.086 -0.695 -2.551 87 HD2 HIS 11 HD2 HIS 11 -14.826 2.647 -2.617 88 HE1 HIS 11 HE1 HIS 11 -17.346 2.544 -6.007 89 HE2 HIS 11 HE2 HIS 11 -16.256 4.035 -4.274 90 H ARG 12 HN ARG 12 -15.257 -0.790 0.058 91 HA ARG 12 HA ARG 12 -13.480 -2.903 0.782 92 HB2 ARG 12 HB2 ARG 12 -15.095 -3.247 2.624 93 HB3 ARG 12 HB1 ARG 12 -14.636 -1.564 2.464 94 HG2 ARG 12 HG2 ARG 12 -16.707 -0.997 1.490 95 HG3 ARG 12 HG1 ARG 12 -17.142 -2.694 1.259 96 HD2 ARG 12 HD2 ARG 12 -17.183 -3.007 3.660 97 HD3 ARG 12 HD1 ARG 12 -16.746 -1.326 3.912 98 HE ARG 12 HE ARG 12 -19.132 -1.662 2.351 99 HH11 ARG 12 HH11 ARG 12 -17.866 -1.475 5.620 100 HH12 ARG 12 HH12 ARG 12 -19.384 -0.996 6.312 101 HH21 ARG 12 HH21 ARG 12 -21.113 -1.014 3.258 102 HH22 ARG 12 HH22 ARG 12 -21.228 -0.731 4.968 103 H ALA 13 HN ALA 13 -13.836 -5.116 0.665 104 HA ALA 13 HA ALA 13 -16.100 -5.963 -1.016 105 HB1 ALA 13 HB1 ALA 13 -14.594 -7.748 -1.897 106 HB2 ALA 13 HB2 ALA 13 -13.256 -6.959 -1.058 107 HB3 ALA 13 HB3 ALA 13 -14.118 -6.110 -2.341 108 H GLY 14 HN GLY 14 -14.614 -8.724 -0.463 109 HA2 GLY 14 HA2 GLY 14 -16.268 -9.281 1.895 110 HA3 GLY 14 HA1 GLY 14 -15.661 -10.475 0.758 111 H LYS 15 HN LYS 15 -13.179 -10.583 0.703 112 HA LYS 15 HA LYS 15 -12.311 -10.840 3.485 113 HB2 LYS 15 HB2 LYS 15 -11.994 -12.456 1.188 114 HB3 LYS 15 HB1 LYS 15 -10.403 -11.878 1.646 115 HG2 LYS 15 HG2 LYS 15 -12.193 -13.024 3.724 116 HG3 LYS 15 HG1 LYS 15 -11.316 -14.096 2.635 117 HD2 LYS 15 HD2 LYS 15 -9.646 -13.934 4.124 118 HD3 LYS 15 HD1 LYS 15 -9.365 -12.344 3.418 119 HE2 LYS 15 HE2 LYS 15 -10.751 -11.310 5.118 120 HE3 LYS 15 HE1 LYS 15 -11.143 -12.890 5.791 121 HZ1 LYS 15 HZ1 LYS 15 -8.810 -13.195 6.344 122 HZ2 LYS 15 HZ2 LYS 15 -9.417 -11.794 7.069 123 HZ3 LYS 15 HZ3 LYS 15 -8.434 -11.676 5.699 124 H LYS 16 HN LYS 16 -11.105 -9.592 0.385 125 HA LYS 16 HA LYS 16 -9.425 -7.727 1.921 126 HB2 LYS 16 HB2 LYS 16 -7.917 -7.902 -0.255 127 HB3 LYS 16 HB1 LYS 16 -7.701 -8.993 1.096 128 HG2 LYS 16 HG2 LYS 16 -8.588 -10.789 -0.032 129 HG3 LYS 16 HG1 LYS 16 -9.536 -9.771 -1.116 130 HD2 LYS 16 HD2 LYS 16 -7.748 -10.748 -2.379 131 HD3 LYS 16 HD1 LYS 16 -7.412 -9.028 -2.185 132 HE2 LYS 16 HE2 LYS 16 -5.704 -9.431 -0.613 133 HE3 LYS 16 HE1 LYS 16 -6.242 -11.084 -0.321 134 HZ1 LYS 16 HZ1 LYS 16 -5.312 -10.292 -3.000 135 HZ2 LYS 16 HZ2 LYS 16 -5.318 -11.826 -2.286 136 HZ3 LYS 16 HZ3 LYS 16 -4.182 -10.667 -1.799 137 H TYR 17 HN TYR 17 -8.734 -5.835 0.568 138 HA TYR 17 HA TYR 17 -11.010 -4.669 -0.724 139 HB2 TYR 17 HB2 TYR 17 -8.149 -3.761 -0.386 140 HB3 TYR 17 HB1 TYR 17 -9.354 -2.807 -1.237 141 HD1 TYR 17 HD1 TYR 17 -11.159 -1.709 -0.010 142 HD2 TYR 17 HD2 TYR 17 -8.218 -4.021 2.002 143 HE1 TYR 17 HE1 TYR 17 -11.837 -0.698 2.126 144 HE2 TYR 17 HE2 TYR 17 -8.879 -3.037 4.138 145 HH TYR 17 HH TYR 17 -10.007 -0.854 4.896 146 H GLY 18 HN GLY 18 -9.010 -6.972 -1.755 147 HA2 GLY 18 HA2 GLY 18 -9.281 -7.787 -4.008 148 HA3 GLY 18 HA1 GLY 18 -9.314 -6.117 -4.549 149 H PHE 19 HN PHE 19 -6.949 -6.211 -2.281 150 HA PHE 19 HA PHE 19 -4.961 -7.206 -4.161 151 HB2 PHE 19 HB2 PHE 19 -3.593 -5.290 -4.112 152 HB3 PHE 19 HB1 PHE 19 -5.205 -4.749 -4.487 153 HD1 PHE 19 HD1 PHE 19 -6.536 -3.530 -2.742 154 HD2 PHE 19 HD2 PHE 19 -2.436 -4.542 -2.204 155 HE1 PHE 19 HE1 PHE 19 -6.352 -1.843 -0.954 156 HE2 PHE 19 HE2 PHE 19 -2.251 -2.874 -0.411 157 HZ PHE 19 HZ PHE 19 -4.209 -1.520 0.214 158 H THR 20 HN THR 20 -2.817 -7.164 -3.335 159 HA THR 20 HA THR 20 -2.729 -8.108 -0.538 160 HB THR 20 HB THR 20 -1.057 -8.908 -2.924 161 HG1 THR 20 HG1 THR 20 -2.026 -10.942 -2.567 162 HG21 THR 20 HG21 THR 20 0.111 -10.469 -1.440 163 HG22 THR 20 HG22 THR 20 -0.793 -9.852 -0.060 164 HG23 THR 20 HG23 THR 20 0.359 -8.807 -0.895 165 H LEU 21 HN LEU 21 -1.619 -6.838 0.791 166 HA LEU 21 HA LEU 21 0.215 -4.871 -0.342 167 HB2 LEU 21 HB2 LEU 21 -1.500 -4.099 1.248 168 HB3 LEU 21 HB1 LEU 21 -0.855 -5.174 2.471 169 HG LEU 21 HG LEU 21 1.278 -3.904 2.413 170 HD11 LEU 21 HD11 LEU 21 -0.264 -2.075 0.584 171 HD12 LEU 21 HD12 LEU 21 1.172 -3.010 0.173 172 HD13 LEU 21 HD13 LEU 21 1.283 -1.691 1.339 173 HD21 LEU 21 HD21 LEU 21 -1.219 -2.331 3.001 174 HD22 LEU 21 HD22 LEU 21 0.398 -1.919 3.569 175 HD23 LEU 21 HD23 LEU 21 -0.367 -3.415 4.103 176 H ARG 22 HN ARG 22 2.386 -4.974 -0.033 177 HA ARG 22 HA ARG 22 3.378 -7.042 1.792 178 HB2 ARG 22 HB2 ARG 22 4.101 -6.675 -1.101 179 HB3 ARG 22 HB1 ARG 22 5.158 -7.511 0.017 180 HG2 ARG 22 HG2 ARG 22 2.826 -8.816 0.463 181 HG3 ARG 22 HG1 ARG 22 2.652 -8.372 -1.230 182 HD2 ARG 22 HD2 ARG 22 3.787 -10.588 -0.739 183 HD3 ARG 22 HD1 ARG 22 4.593 -9.508 -1.869 184 HE ARG 22 HE ARG 22 5.380 -9.723 0.970 185 HH11 ARG 22 HH11 ARG 22 6.199 -9.620 -2.431 186 HH12 ARG 22 HH12 ARG 22 7.916 -9.585 -2.156 187 HH21 ARG 22 HH21 ARG 22 7.624 -9.687 1.344 188 HH22 ARG 22 HH22 ARG 22 8.725 -9.615 0.001 189 H ALA 23 HN ALA 23 5.194 -6.531 2.875 190 HA ALA 23 HA ALA 23 6.180 -3.795 2.521 191 HB1 ALA 23 HB1 ALA 23 5.291 -4.832 4.776 192 HB2 ALA 23 HB2 ALA 23 6.671 -3.733 4.765 193 HB3 ALA 23 HB3 ALA 23 6.933 -5.473 4.869 194 H ILE 24 HN ILE 24 8.014 -3.548 1.460 195 HA ILE 24 HA ILE 24 9.830 -5.834 1.234 196 HB ILE 24 HB ILE 24 10.937 -4.378 -0.563 197 HG12 ILE 24 HG12 ILE 24 8.252 -3.001 -0.582 198 HG13 ILE 24 HG11 ILE 24 9.669 -2.297 0.191 199 HG21 ILE 24 HG21 ILE 24 8.134 -5.403 -0.994 200 HG22 ILE 24 HG22 ILE 24 9.614 -6.360 -1.060 201 HG23 ILE 24 HG23 ILE 24 9.323 -5.098 -2.259 202 HD11 ILE 24 HD11 ILE 24 10.838 -2.388 -1.985 203 HD12 ILE 24 HD12 ILE 24 9.404 -1.362 -2.000 204 HD13 ILE 24 HD13 ILE 24 9.346 -2.969 -2.723 205 H ARG 25 HN ARG 25 11.982 -5.687 1.713 206 HA ARG 25 HA ARG 25 12.703 -3.489 3.526 207 HB2 ARG 25 HB2 ARG 25 12.570 -5.823 4.419 208 HB3 ARG 25 HB1 ARG 25 13.893 -6.257 3.355 209 HG2 ARG 25 HG2 ARG 25 15.438 -5.008 4.559 210 HG3 ARG 25 HG1 ARG 25 14.185 -4.041 5.343 211 HD2 ARG 25 HD2 ARG 25 13.589 -5.766 6.791 212 HD3 ARG 25 HD1 ARG 25 14.321 -7.001 5.776 213 HE ARG 25 HE ARG 25 16.510 -6.054 6.487 214 HH11 ARG 25 HH11 ARG 25 13.670 -5.548 8.477 215 HH12 ARG 25 HH12 ARG 25 14.574 -5.430 9.952 216 HH21 ARG 25 HH21 ARG 25 17.697 -5.913 8.407 217 HH22 ARG 25 HH22 ARG 25 16.872 -5.639 9.913 218 H VAL 26 HN VAL 26 13.566 -2.047 2.095 219 HA VAL 26 HA VAL 26 15.758 -2.968 0.362 220 HB VAL 26 HB VAL 26 14.181 -0.386 0.263 221 HG11 VAL 26 HG11 VAL 26 15.382 0.033 -1.847 222 HG12 VAL 26 HG12 VAL 26 16.371 -1.397 -1.551 223 HG13 VAL 26 HG13 VAL 26 16.471 -0.016 -0.460 224 HG21 VAL 26 HG21 VAL 26 14.200 -2.766 -1.582 225 HG22 VAL 26 HG22 VAL 26 13.298 -1.273 -1.840 226 HG23 VAL 26 HG23 VAL 26 12.901 -2.320 -0.477 227 H TYR 27 HN TYR 27 17.729 -2.666 1.168 228 HA TYR 27 HA TYR 27 18.109 -0.953 3.428 229 HB2 TYR 27 HB2 TYR 27 19.952 -2.691 1.838 230 HB3 TYR 27 HB1 TYR 27 20.536 -1.649 3.113 231 HD1 TYR 27 HD2 TYR 27 18.134 -4.405 2.460 232 HD2 TYR 27 HD1 TYR 27 20.512 -2.363 5.338 233 HE1 TYR 27 HE2 TYR 27 17.592 -6.132 4.122 234 HE2 TYR 27 HE1 TYR 27 19.982 -4.091 7.003 235 HH TYR 27 HH TYR 27 18.628 -7.055 6.210 236 H MET 28 HN MET 28 19.164 0.905 3.570 237 HA MET 28 HA MET 28 19.326 2.575 1.267 238 HB2 MET 28 HB2 MET 28 20.000 2.906 4.183 239 HB3 MET 28 HB1 MET 28 20.352 4.155 3.016 240 HG2 MET 28 HG2 MET 28 17.627 3.029 3.555 241 HG3 MET 28 HG1 MET 28 18.262 4.521 4.236 242 HE1 MET 28 HE1 MET 28 15.547 4.821 2.870 243 HE2 MET 28 HE2 MET 28 15.843 6.215 1.832 244 HE3 MET 28 HE3 MET 28 16.539 6.157 3.451 245 H GLY 29 HN GLY 29 21.027 2.774 -0.052 246 HA2 GLY 29 HA2 GLY 29 23.432 1.310 0.387 247 HA3 GLY 29 HA1 GLY 29 23.119 2.419 -0.939 248 H ASP 30 HN ASP 30 23.914 2.335 2.500 249 HA ASP 30 HA ASP 30 26.076 4.157 2.214 250 HB2 ASP 30 HB2 ASP 30 24.269 5.812 2.068 251 HB3 ASP 30 HB1 ASP 30 23.578 5.205 3.569 252 H SER 31 HN SER 31 23.606 3.098 4.529 253 HA SER 31 HA SER 31 25.785 2.316 6.336 254 HB2 SER 31 HB2 SER 31 23.060 3.310 7.187 255 HB3 SER 31 HB1 SER 31 24.442 2.968 8.222 256 HG SER 31 HG SER 31 24.869 4.802 6.175 257 H ASP 32 HN ASP 32 23.754 1.235 8.218 258 HA ASP 32 HA ASP 32 23.351 -1.338 6.864 259 HB2 ASP 32 HB2 ASP 32 24.644 -1.321 8.949 260 HB3 ASP 32 HB1 ASP 32 23.290 -0.594 9.795 261 H VAL 33 HN VAL 33 21.760 1.380 8.008 262 HA VAL 33 HA VAL 33 19.284 0.506 8.837 263 HB VAL 33 HB VAL 33 19.974 2.817 9.025 264 HG11 VAL 33 HG11 VAL 33 21.076 2.852 6.745 265 HG12 VAL 33 HG12 VAL 33 20.197 4.305 7.217 266 HG13 VAL 33 HG13 VAL 33 19.469 3.161 6.090 267 HG21 VAL 33 HG21 VAL 33 17.511 2.663 7.312 268 HG22 VAL 33 HG22 VAL 33 17.907 3.903 8.503 269 HG23 VAL 33 HG23 VAL 33 17.567 2.255 9.028 270 H TYR 34 HN TYR 34 17.332 0.230 7.879 271 HA TYR 34 HA TYR 34 17.371 -0.409 5.007 272 HB2 TYR 34 HB2 TYR 34 15.635 -2.103 5.461 273 HB3 TYR 34 HB1 TYR 34 17.142 -2.454 6.287 274 HD1 TYR 34 HD1 TYR 34 17.302 -2.144 8.755 275 HD2 TYR 34 HD2 TYR 34 13.631 -1.638 6.662 276 HE1 TYR 34 HE1 TYR 34 16.076 -2.283 10.881 277 HE2 TYR 34 HE2 TYR 34 12.397 -1.777 8.781 278 HH TYR 34 HH TYR 34 13.913 -1.573 11.811 279 H THR 35 HN THR 35 15.285 -0.324 4.002 280 HA THR 35 HA THR 35 13.588 1.806 5.115 281 HB THR 35 HB THR 35 13.790 1.563 2.166 282 HG1 THR 35 HG1 THR 35 15.966 1.448 2.655 283 HG21 THR 35 HG21 THR 35 13.872 3.965 3.996 284 HG22 THR 35 HG22 THR 35 12.383 3.245 3.378 285 HG23 THR 35 HG23 THR 35 13.547 3.958 2.262 286 H VAL 36 HN VAL 36 11.848 0.689 5.743 287 HA VAL 36 HA VAL 36 10.856 -1.527 4.188 288 HB VAL 36 HB VAL 36 10.686 -1.857 6.530 289 HG11 VAL 36 HG11 VAL 36 9.428 -0.336 8.019 290 HG12 VAL 36 HG12 VAL 36 9.272 0.799 6.679 291 HG13 VAL 36 HG13 VAL 36 10.867 0.408 7.322 292 HG21 VAL 36 HG21 VAL 36 8.738 -2.591 5.186 293 HG22 VAL 36 HG22 VAL 36 7.917 -1.093 5.627 294 HG23 VAL 36 HG23 VAL 36 8.344 -2.264 6.873 295 H HIS 37 HN HIS 37 9.855 -1.048 2.367 296 HA HIS 37 HA HIS 37 8.113 1.305 2.281 297 HB2 HIS 37 HB2 HIS 37 9.249 -0.404 0.077 298 HB3 HIS 37 HB1 HIS 37 8.084 0.874 -0.195 299 HD2 HIS 37 HD2 HIS 37 11.840 0.373 0.156 300 HE1 HIS 37 HE1 HIS 37 11.089 4.533 0.210 301 HE2 HIS 37 HE2 HIS 37 12.851 2.744 -0.128 302 H HIS 38 HN HIS 38 6.012 1.182 1.625 303 HA HIS 38 HA HIS 38 4.769 -1.455 1.941 304 HB2 HIS 38 HB2 HIS 38 3.538 1.303 2.168 305 HB3 HIS 38 HB1 HIS 38 2.703 -0.220 2.465 306 HD2 HIS 38 HD2 HIS 38 4.831 2.353 4.303 307 HE1 HIS 38 HE1 HIS 38 4.608 -1.072 6.775 308 HE2 HIS 38 HE2 HIS 38 5.506 1.285 6.570 309 H MET 39 HN MET 39 4.732 -2.346 -0.019 310 HA MET 39 HA MET 39 3.591 -0.737 -2.204 311 HB2 MET 39 HB2 MET 39 5.859 -1.130 -2.771 312 HB3 MET 39 HB1 MET 39 5.784 -2.805 -2.239 313 HG2 MET 39 HG2 MET 39 3.871 -2.265 -4.339 314 HG3 MET 39 HG1 MET 39 5.513 -1.859 -4.832 315 HE1 MET 39 HE1 MET 39 7.378 -5.134 -4.958 316 HE2 MET 39 HE2 MET 39 7.538 -3.601 -4.096 317 HE3 MET 39 HE3 MET 39 7.107 -3.613 -5.811 318 H VAL 40 HN VAL 40 1.932 -1.541 -3.315 319 HA VAL 40 HA VAL 40 0.582 -3.871 -2.380 320 HB VAL 40 HB VAL 40 -0.936 -2.339 -3.229 321 HG11 VAL 40 HG11 VAL 40 -0.600 -1.197 -5.457 322 HG12 VAL 40 HG12 VAL 40 1.048 -1.824 -5.424 323 HG13 VAL 40 HG13 VAL 40 0.495 -0.724 -4.160 324 HG21 VAL 40 HG21 VAL 40 -1.624 -3.156 -5.586 325 HG22 VAL 40 HG22 VAL 40 -1.688 -4.290 -4.232 326 HG23 VAL 40 HG23 VAL 40 -0.339 -4.350 -5.365 327 H TRP 41 HN TRP 41 1.082 -5.893 -2.928 328 HA TRP 41 HA TRP 41 3.138 -6.339 -4.902 329 HB2 TRP 41 HB2 TRP 41 3.231 -7.461 -2.745 330 HB3 TRP 41 HB1 TRP 41 1.708 -8.282 -3.089 331 HD1 TRP 41 HD1 TRP 41 1.943 -10.612 -4.186 332 HE1 TRP 41 HE1 TRP 41 3.837 -11.898 -5.369 333 HE3 TRP 41 HE3 TRP 41 5.478 -6.925 -4.286 334 HZ2 TRP 41 HZ2 TRP 41 6.482 -11.403 -6.231 335 HZ3 TRP 41 HZ3 TRP 41 7.662 -7.406 -5.310 336 HH2 TRP 41 HH2 TRP 41 8.151 -9.601 -6.260 337 H HIS 42 HN HIS 42 -0.282 -7.145 -4.546 338 HA HIS 42 HA HIS 42 -0.386 -7.702 -7.397 339 HB2 HIS 42 HB2 HIS 42 0.235 -9.866 -6.174 340 HB3 HIS 42 HB1 HIS 42 -1.363 -9.804 -5.444 341 HD2 HIS 42 HD2 HIS 42 0.324 -10.607 -8.843 342 HE1 HIS 42 HE1 HIS 42 -3.806 -11.478 -9.113 343 HE2 HIS 42 HE2 HIS 42 -1.525 -11.864 -10.155 344 H VAL 43 HN VAL 43 -2.431 -7.568 -8.255 345 HA VAL 43 HA VAL 43 -4.592 -6.747 -6.429 346 HB VAL 43 HB VAL 43 -4.025 -5.545 -9.151 347 HG11 VAL 43 HG11 VAL 43 -5.803 -3.955 -8.548 348 HG12 VAL 43 HG12 VAL 43 -6.097 -4.868 -7.069 349 HG13 VAL 43 HG13 VAL 43 -6.393 -5.614 -8.638 350 HG21 VAL 43 HG21 VAL 43 -3.770 -4.204 -6.465 351 HG22 VAL 43 HG22 VAL 43 -3.335 -3.545 -8.044 352 HG23 VAL 43 HG23 VAL 43 -2.408 -4.878 -7.355 353 H GLU 44 HN GLU 44 -6.349 -8.006 -6.650 354 HA GLU 44 HA GLU 44 -6.542 -10.091 -8.477 355 HB2 GLU 44 HB2 GLU 44 -8.607 -8.685 -6.786 356 HB3 GLU 44 HB1 GLU 44 -8.898 -10.164 -7.659 357 HG2 GLU 44 HG2 GLU 44 -6.975 -9.758 -5.404 358 HG3 GLU 44 HG1 GLU 44 -8.464 -10.698 -5.377 359 H ASP 45 HN ASP 45 -7.295 -10.196 -10.519 360 HA ASP 45 HA ASP 45 -7.903 -7.836 -11.958 361 HB2 ASP 45 HB2 ASP 45 -7.768 -10.724 -12.585 362 HB3 ASP 45 HB1 ASP 45 -8.789 -9.753 -13.638 363 H GLY 46 HN GLY 46 -9.684 -6.717 -11.669 364 HA2 GLY 46 HA2 GLY 46 -12.004 -6.420 -12.079 365 HA3 GLY 46 HA1 GLY 46 -12.250 -8.134 -11.771 366 H GLY 47 HN GLY 47 -10.172 -7.013 -9.472 367 HA2 GLY 47 HA2 GLY 47 -12.203 -7.092 -7.432 368 HA3 GLY 47 HA1 GLY 47 -10.477 -6.863 -7.183 369 HA PRO 48 HA PRO 48 -13.099 -2.869 -6.521 370 HB2 PRO 48 HB2 PRO 48 -11.562 -3.170 -3.976 371 HB3 PRO 48 HB1 PRO 48 -13.204 -2.555 -4.213 372 HG2 PRO 48 HG2 PRO 48 -12.891 -4.946 -3.249 373 HG3 PRO 48 HG1 PRO 48 -14.012 -4.715 -4.597 374 HD2 PRO 48 HD2 PRO 48 -11.208 -5.738 -4.680 375 HD3 PRO 48 HD1 PRO 48 -12.660 -6.408 -5.418 376 H ALA 49 HN ALA 49 -9.898 -3.697 -5.350 377 HA ALA 49 HA ALA 49 -8.769 -1.141 -5.656 378 HB1 ALA 49 HB1 ALA 49 -7.387 -3.824 -5.689 379 HB2 ALA 49 HB2 ALA 49 -7.706 -2.825 -4.273 380 HB3 ALA 49 HB3 ALA 49 -6.579 -2.266 -5.509 381 H SER 50 HN SER 50 -9.065 -3.818 -7.888 382 HA SER 50 HA SER 50 -7.385 -2.809 -9.929 383 HB2 SER 50 HB2 SER 50 -8.457 -5.168 -9.638 384 HB3 SER 50 HB1 SER 50 -9.838 -4.463 -10.461 385 HG SER 50 HG SER 50 -7.302 -5.076 -11.442 386 H GLU 51 HN GLU 51 -10.723 -2.426 -9.071 387 HA GLU 51 HA GLU 51 -11.473 -0.941 -11.394 388 HB2 GLU 51 HB2 GLU 51 -12.852 -1.133 -8.709 389 HB3 GLU 51 HB1 GLU 51 -13.573 -0.522 -10.195 390 HG2 GLU 51 HG2 GLU 51 -13.052 -2.836 -11.164 391 HG3 GLU 51 HG1 GLU 51 -12.815 -3.330 -9.489 392 H ALA 52 HN ALA 52 -10.327 -0.208 -8.217 393 HA ALA 52 HA ALA 52 -10.815 2.584 -8.273 394 HB1 ALA 52 HB1 ALA 52 -8.808 1.072 -6.624 395 HB2 ALA 52 HB2 ALA 52 -10.515 1.241 -6.218 396 HB3 ALA 52 HB3 ALA 52 -9.477 2.667 -6.287 397 H GLY 53 HN GLY 53 -8.298 0.546 -9.510 398 HA2 GLY 53 HA2 GLY 53 -6.940 1.384 -11.308 399 HA3 GLY 53 HA1 GLY 53 -6.960 2.942 -10.516 400 H LEU 54 HN LEU 54 -6.478 0.447 -8.293 401 HA LEU 54 HA LEU 54 -3.854 1.330 -7.663 402 HB2 LEU 54 HB2 LEU 54 -5.774 -0.222 -6.433 403 HB3 LEU 54 HB1 LEU 54 -4.505 -1.371 -6.772 404 HG LEU 54 HG LEU 54 -4.474 1.004 -4.951 405 HD11 LEU 54 HD11 LEU 54 -4.989 -1.238 -4.086 406 HD12 LEU 54 HD12 LEU 54 -3.499 -0.570 -3.404 407 HD13 LEU 54 HD13 LEU 54 -3.419 -1.802 -4.666 408 HD21 LEU 54 HD21 LEU 54 -2.558 1.448 -6.284 409 HD22 LEU 54 HD22 LEU 54 -2.076 -0.243 -6.269 410 HD23 LEU 54 HD23 LEU 54 -1.990 0.709 -4.787 411 H ARG 55 HN ARG 55 -1.905 0.516 -8.189 412 HA ARG 55 HA ARG 55 -1.824 -1.730 -10.087 413 HB2 ARG 55 HB2 ARG 55 0.075 0.618 -10.061 414 HB3 ARG 55 HB1 ARG 55 -0.075 -0.626 -11.296 415 HG2 ARG 55 HG2 ARG 55 -2.368 1.174 -10.637 416 HG3 ARG 55 HG1 ARG 55 -1.094 1.682 -11.741 417 HD2 ARG 55 HD2 ARG 55 -1.562 -0.118 -13.231 418 HD3 ARG 55 HD1 ARG 55 -2.631 -0.885 -12.057 419 HE ARG 55 HE ARG 55 -3.250 1.694 -13.352 420 HH11 ARG 55 HH11 ARG 55 -4.212 -1.478 -12.216 421 HH12 ARG 55 HH12 ARG 55 -5.860 -1.299 -12.721 422 HH21 ARG 55 HH21 ARG 55 -5.434 1.944 -13.982 423 HH22 ARG 55 HH22 ARG 55 -6.565 0.661 -13.692 424 H GLN 56 HN GLN 56 -0.516 -3.363 -9.539 425 HA GLN 56 HA GLN 56 0.826 -3.282 -7.022 426 HB2 GLN 56 HB2 GLN 56 1.752 -5.573 -8.287 427 HB3 GLN 56 HB1 GLN 56 0.427 -5.458 -7.154 428 HG2 GLN 56 HG2 GLN 56 -1.174 -5.534 -8.784 429 HG3 GLN 56 HG1 GLN 56 -0.060 -4.988 -10.008 430 HE21 GLN 56 HE21 GLN 56 2.053 -6.757 -9.490 431 HE22 GLN 56 HE22 GLN 56 1.546 -8.343 -9.956 432 H GLY 57 HN GLY 57 2.912 -3.063 -6.553 433 HA2 GLY 57 HA2 GLY 57 5.233 -3.108 -7.061 434 HA3 GLY 57 HA1 GLY 57 4.845 -2.878 -8.755 435 H ASP 58 HN ASP 58 2.950 -0.835 -6.905 436 HA ASP 58 HA ASP 58 4.622 1.449 -7.585 437 HB2 ASP 58 HB2 ASP 58 1.871 1.314 -6.339 438 HB3 ASP 58 HB1 ASP 58 2.699 2.800 -6.759 439 H LEU 59 HN LEU 59 3.666 3.139 -5.492 440 HA LEU 59 HA LEU 59 4.780 1.943 -3.105 441 HB2 LEU 59 HB2 LEU 59 5.803 4.298 -4.588 442 HB3 LEU 59 HB1 LEU 59 5.715 4.459 -2.845 443 HG LEU 59 HG LEU 59 7.281 2.391 -4.375 444 HD11 LEU 59 HD11 LEU 59 8.124 4.738 -2.681 445 HD12 LEU 59 HD12 LEU 59 8.288 4.593 -4.431 446 HD13 LEU 59 HD13 LEU 59 9.214 3.534 -3.368 447 HD21 LEU 59 HD21 LEU 59 6.524 1.321 -2.403 448 HD22 LEU 59 HD22 LEU 59 6.815 2.760 -1.425 449 HD23 LEU 59 HD23 LEU 59 8.175 1.846 -2.079 450 H ILE 60 HN ILE 60 3.206 2.074 -1.663 451 HA ILE 60 HA ILE 60 1.220 4.154 -1.874 452 HB ILE 60 HB ILE 60 1.563 1.948 0.175 453 HG12 ILE 60 HG12 ILE 60 -0.629 2.154 -1.885 454 HG13 ILE 60 HG11 ILE 60 0.923 1.426 -2.290 455 HG21 ILE 60 HG21 ILE 60 0.405 3.635 1.309 456 HG22 ILE 60 HG22 ILE 60 -0.857 2.553 0.717 457 HG23 ILE 60 HG23 ILE 60 -0.533 4.077 -0.117 458 HD11 ILE 60 HD11 ILE 60 0.608 -0.214 -0.513 459 HD12 ILE 60 HD12 ILE 60 -0.713 -0.250 -1.681 460 HD13 ILE 60 HD13 ILE 60 -0.945 0.519 -0.110 461 H THR 61 HN THR 61 1.747 6.112 -1.178 462 HA THR 61 HA THR 61 3.659 6.406 0.999 463 HB THR 61 HB THR 61 4.225 7.779 -0.819 464 HG1 THR 61 HG1 THR 61 2.830 9.426 1.049 465 HG21 THR 61 HG21 THR 61 2.697 9.357 -1.900 466 HG22 THR 61 HG22 THR 61 1.386 8.808 -0.858 467 HG23 THR 61 HG23 THR 61 2.100 7.700 -2.031 468 H HIS 62 HN HIS 62 0.249 7.030 0.315 469 HA HIS 62 HA HIS 62 -0.068 7.656 3.164 470 HB2 HIS 62 HB2 HIS 62 -1.602 9.217 1.083 471 HB3 HIS 62 HB1 HIS 62 -1.553 9.485 2.812 472 HD2 HIS 62 HD2 HIS 62 0.820 10.701 3.770 473 HE1 HIS 62 HE1 HIS 62 1.948 12.059 -0.072 474 HE2 HIS 62 HE2 HIS 62 2.238 12.402 2.422 475 H VAL 63 HN VAL 63 -1.945 6.991 4.083 476 HA VAL 63 HA VAL 63 -3.834 5.523 2.365 477 HB VAL 63 HB VAL 63 -2.832 4.731 5.112 478 HG11 VAL 63 HG11 VAL 63 -4.912 3.320 3.446 479 HG12 VAL 63 HG12 VAL 63 -5.295 4.409 4.778 480 HG13 VAL 63 HG13 VAL 63 -4.394 2.925 5.085 481 HG21 VAL 63 HG21 VAL 63 -2.648 3.332 2.443 482 HG22 VAL 63 HG22 VAL 63 -2.091 2.683 3.985 483 HG23 VAL 63 HG23 VAL 63 -1.320 4.114 3.302 484 H ASN 64 HN ASN 64 -5.682 6.622 2.384 485 HA ASN 64 HA ASN 64 -7.516 7.765 3.084 486 HB2 ASN 64 HB2 ASN 64 -6.626 6.826 5.827 487 HB3 ASN 64 HB1 ASN 64 -8.143 7.659 5.516 488 HD21 ASN 64 HD21 ASN 64 -7.436 4.942 6.502 489 HD22 ASN 64 HD22 ASN 64 -8.329 3.864 5.492 490 H GLY 65 HN GLY 65 -4.800 8.937 2.901 491 HA2 GLY 65 HA2 GLY 65 -4.177 11.185 2.923 492 HA3 GLY 65 HA1 GLY 65 -5.464 11.509 4.076 493 H GLU 66 HN GLU 66 -3.624 8.827 4.983 494 HA GLU 66 HA GLU 66 -2.207 10.472 6.966 495 HB2 GLU 66 HB2 GLU 66 -2.622 7.498 7.076 496 HB3 GLU 66 HB1 GLU 66 -2.239 8.584 8.400 497 HG2 GLU 66 HG2 GLU 66 -4.829 8.689 6.894 498 HG3 GLU 66 HG1 GLU 66 -4.586 7.688 8.318 499 HA PRO 67 HA PRO 67 1.565 9.258 4.878 500 HB2 PRO 67 HB2 PRO 67 3.302 10.301 6.708 501 HB3 PRO 67 HB1 PRO 67 2.478 11.277 5.488 502 HG2 PRO 67 HG2 PRO 67 1.903 10.983 8.386 503 HG3 PRO 67 HG1 PRO 67 1.694 12.391 7.335 504 HD2 PRO 67 HD2 PRO 67 -0.336 10.710 8.175 505 HD3 PRO 67 HD1 PRO 67 -0.418 11.772 6.759 506 H VAL 68 HN VAL 68 1.885 7.129 4.981 507 HA VAL 68 HA VAL 68 2.152 5.808 7.565 508 HB VAL 68 HB VAL 68 2.010 3.713 6.344 509 HG11 VAL 68 HG11 VAL 68 -0.279 3.902 5.595 510 HG12 VAL 68 HG12 VAL 68 -0.112 5.650 5.432 511 HG13 VAL 68 HG13 VAL 68 -0.040 4.901 7.027 512 HG21 VAL 68 HG21 VAL 68 1.685 3.612 3.960 513 HG22 VAL 68 HG22 VAL 68 3.183 4.482 4.291 514 HG23 VAL 68 HG23 VAL 68 1.728 5.370 3.839 515 H HIS 69 HN HIS 69 4.231 7.301 5.546 516 HA HIS 69 HA HIS 69 6.333 5.446 5.271 517 HB2 HIS 69 HB2 HIS 69 6.187 7.568 3.993 518 HB3 HIS 69 HB1 HIS 69 6.513 8.463 5.470 519 HD2 HIS 69 HD2 HIS 69 9.171 8.171 6.467 520 HE1 HIS 69 HE1 HIS 69 10.638 6.592 2.829 521 HE2 HIS 69 HE2 HIS 69 11.250 7.316 5.176 522 H GLY 70 HN GLY 70 6.920 4.359 7.061 523 HA2 GLY 70 HA2 GLY 70 8.762 4.765 8.773 524 HA3 GLY 70 HA1 GLY 70 7.635 5.931 9.446 525 H LEU 71 HN LEU 71 5.350 4.058 8.712 526 HA LEU 71 HA LEU 71 5.290 2.692 11.230 527 HB2 LEU 71 HB2 LEU 71 3.462 2.562 8.849 528 HB3 LEU 71 HB1 LEU 71 3.155 1.783 10.379 529 HG LEU 71 HG LEU 71 3.398 4.728 10.002 530 HD11 LEU 71 HD11 LEU 71 1.507 4.101 8.828 531 HD12 LEU 71 HD12 LEU 71 0.909 4.618 10.408 532 HD13 LEU 71 HD13 LEU 71 1.058 2.893 10.035 533 HD21 LEU 71 HD21 LEU 71 2.383 4.842 12.239 534 HD22 LEU 71 HD22 LEU 71 3.958 4.049 12.259 535 HD23 LEU 71 HD23 LEU 71 2.484 3.084 12.347 536 H VAL 72 HN VAL 72 4.399 0.433 11.249 537 HA VAL 72 HA VAL 72 6.189 -1.327 9.804 538 HB VAL 72 HB VAL 72 5.080 -3.115 11.161 539 HG11 VAL 72 HG11 VAL 72 7.107 -2.180 12.008 540 HG12 VAL 72 HG12 VAL 72 5.988 -2.354 13.360 541 HG13 VAL 72 HG13 VAL 72 6.256 -0.771 12.635 542 HG21 VAL 72 HG21 VAL 72 3.224 -0.943 11.679 543 HG22 VAL 72 HG22 VAL 72 3.832 -1.659 13.178 544 HG23 VAL 72 HG23 VAL 72 3.051 -2.680 11.974 545 H HIS 73 HN HIS 73 4.997 -3.457 9.067 546 HA HIS 73 HA HIS 73 3.420 -2.786 6.852 547 HB2 HIS 73 HB2 HIS 73 4.812 -4.812 6.996 548 HB3 HIS 73 HB1 HIS 73 3.727 -5.467 8.216 549 HD1 HIS 73 HD1 HIS 73 3.280 -4.133 4.650 550 HD2 HIS 73 HD2 HIS 73 2.010 -7.198 7.153 551 HE1 HIS 73 HE1 HIS 73 1.763 -5.602 3.265 552 H THR 74 HN THR 74 2.517 -4.109 10.010 553 HA THR 74 HA THR 74 -0.231 -4.452 9.362 554 HB THR 74 HB THR 74 -0.397 -4.532 11.951 555 HG1 THR 74 HG1 THR 74 1.606 -4.877 12.948 556 HG21 THR 74 HG21 THR 74 0.535 -6.843 11.904 557 HG22 THR 74 HG22 THR 74 1.189 -6.494 10.303 558 HG23 THR 74 HG23 THR 74 -0.556 -6.496 10.564 559 H GLU 75 HN GLU 75 1.519 -1.740 10.874 560 HA GLU 75 HA GLU 75 -0.693 -0.429 11.924 561 HB2 GLU 75 HB2 GLU 75 1.926 0.659 10.892 562 HB3 GLU 75 HB1 GLU 75 0.687 1.654 11.562 563 HG2 GLU 75 HG2 GLU 75 1.570 -0.673 13.131 564 HG3 GLU 75 HG1 GLU 75 2.578 0.772 13.089 565 H VAL 76 HN VAL 76 0.763 -0.269 8.734 566 HA VAL 76 HA VAL 76 -1.125 1.649 7.760 567 HB VAL 76 HB VAL 76 -0.057 1.524 5.688 568 HG11 VAL 76 HG11 VAL 76 1.373 2.279 7.590 569 HG12 VAL 76 HG12 VAL 76 2.270 1.702 6.182 570 HG13 VAL 76 HG13 VAL 76 2.100 0.673 7.605 571 HG21 VAL 76 HG21 VAL 76 1.346 -0.321 4.928 572 HG22 VAL 76 HG22 VAL 76 -0.288 -0.878 5.292 573 HG23 VAL 76 HG23 VAL 76 1.024 -1.194 6.426 574 H VAL 77 HN VAL 77 -0.868 -1.863 7.769 575 HA VAL 77 HA VAL 77 -2.931 -2.505 5.988 576 HB VAL 77 HB VAL 77 -1.753 -3.924 8.359 577 HG11 VAL 77 HG11 VAL 77 -4.161 -4.482 8.334 578 HG12 VAL 77 HG12 VAL 77 -3.123 -5.863 7.985 579 HG13 VAL 77 HG13 VAL 77 -3.981 -5.053 6.673 580 HG21 VAL 77 HG21 VAL 77 -1.041 -5.527 6.648 581 HG22 VAL 77 HG22 VAL 77 -0.488 -3.892 6.282 582 HG23 VAL 77 HG23 VAL 77 -1.867 -4.572 5.417 583 H GLU 78 HN GLU 78 -3.004 -2.061 9.499 584 HA GLU 78 HA GLU 78 -5.749 -2.341 9.851 585 HB2 GLU 78 HB2 GLU 78 -3.806 -0.687 11.356 586 HB3 GLU 78 HB1 GLU 78 -5.428 -1.041 11.904 587 HG2 GLU 78 HG2 GLU 78 -4.721 -3.457 11.526 588 HG3 GLU 78 HG1 GLU 78 -3.093 -2.830 11.644 589 H LEU 79 HN LEU 79 -3.783 0.479 9.407 590 HA LEU 79 HA LEU 79 -5.591 2.527 9.458 591 HB2 LEU 79 HB2 LEU 79 -2.988 2.186 8.521 592 HB3 LEU 79 HB1 LEU 79 -3.872 2.818 7.146 593 HG LEU 79 HG LEU 79 -4.691 4.651 8.744 594 HD11 LEU 79 HD11 LEU 79 -3.957 3.492 10.808 595 HD12 LEU 79 HD12 LEU 79 -3.290 5.117 10.652 596 HD13 LEU 79 HD13 LEU 79 -2.284 3.712 10.299 597 HD21 LEU 79 HD21 LEU 79 -3.277 5.417 7.124 598 HD22 LEU 79 HD22 LEU 79 -1.992 4.287 7.563 599 HD23 LEU 79 HD23 LEU 79 -2.289 5.717 8.557 600 H ILE 80 HN ILE 80 -4.702 0.707 6.507 601 HA ILE 80 HA ILE 80 -6.600 1.640 4.763 602 HB ILE 80 HB ILE 80 -5.496 -1.148 5.094 603 HG12 ILE 80 HG12 ILE 80 -4.596 0.825 3.059 604 HG13 ILE 80 HG11 ILE 80 -4.048 1.000 4.710 605 HG21 ILE 80 HG21 ILE 80 -7.466 -1.268 3.747 606 HG22 ILE 80 HG22 ILE 80 -6.048 -1.450 2.710 607 HG23 ILE 80 HG23 ILE 80 -6.921 0.082 2.749 608 HD11 ILE 80 HD11 ILE 80 -2.972 -1.045 4.696 609 HD12 ILE 80 HD12 ILE 80 -2.549 -0.286 3.159 610 HD13 ILE 80 HD13 ILE 80 -3.766 -1.565 3.209 611 H LEU 81 HN LEU 81 -6.839 -1.241 6.811 612 HA LEU 81 HA LEU 81 -9.439 -1.995 6.286 613 HB2 LEU 81 HB2 LEU 81 -7.867 -2.178 8.851 614 HB3 LEU 81 HB1 LEU 81 -9.384 -3.006 8.587 615 HG LEU 81 HG LEU 81 -6.920 -3.440 6.902 616 HD11 LEU 81 HD11 LEU 81 -6.511 -4.145 9.195 617 HD12 LEU 81 HD12 LEU 81 -6.675 -5.542 8.132 618 HD13 LEU 81 HD13 LEU 81 -8.008 -5.073 9.188 619 HD21 LEU 81 HD21 LEU 81 -8.073 -5.308 5.992 620 HD22 LEU 81 HD22 LEU 81 -9.177 -3.936 5.895 621 HD23 LEU 81 HD23 LEU 81 -9.385 -5.147 7.156 622 H LYS 82 HN LYS 82 -8.351 0.366 8.709 623 HA LYS 82 HA LYS 82 -10.912 0.798 9.815 624 HB2 LYS 82 HB2 LYS 82 -8.454 2.509 9.976 625 HB3 LYS 82 HB1 LYS 82 -9.857 2.600 11.042 626 HG2 LYS 82 HG2 LYS 82 -9.455 0.230 11.645 627 HG3 LYS 82 HG1 LYS 82 -7.978 0.295 10.718 628 HD2 LYS 82 HD2 LYS 82 -8.544 2.191 12.981 629 HD3 LYS 82 HD1 LYS 82 -7.754 0.635 13.226 630 HE2 LYS 82 HE2 LYS 82 -6.113 1.414 11.409 631 HE3 LYS 82 HE1 LYS 82 -6.771 3.024 11.700 632 HZ1 LYS 82 HZ1 LYS 82 -6.234 2.535 14.134 633 HZ2 LYS 82 HZ2 LYS 82 -4.946 2.900 13.108 634 HZ3 LYS 82 HZ3 LYS 82 -5.245 1.295 13.551 635 H SER 83 HN SER 83 -9.851 1.749 6.830 636 HA SER 83 HA SER 83 -10.547 4.375 6.472 637 HB2 SER 83 HB2 SER 83 -11.190 3.699 4.134 638 HB3 SER 83 HB1 SER 83 -9.607 3.129 4.656 639 HG SER 83 HG SER 83 -10.292 1.126 4.616 640 H GLY 84 HN GLY 84 -12.781 1.700 5.735 641 HA2 GLY 84 HA2 GLY 84 -15.012 1.590 6.631 642 HA3 GLY 84 HA1 GLY 84 -15.002 3.342 6.760 643 H ASN 85 HN ASN 85 -15.704 0.643 4.811 644 HA ASN 85 HA ASN 85 -16.898 0.361 2.918 645 HB2 ASN 85 HB2 ASN 85 -18.568 1.870 3.216 646 HB3 ASN 85 HB1 ASN 85 -17.463 3.195 3.548 647 HD21 ASN 85 HD21 ASN 85 -18.891 1.263 0.962 648 HD22 ASN 85 HD22 ASN 85 -18.744 2.479 -0.259 649 H LYS 86 HN LYS 86 -14.552 3.006 2.717 650 HA LYS 86 HA LYS 86 -13.327 1.721 0.478 651 HB2 LYS 86 HB2 LYS 86 -13.292 3.738 -0.907 652 HB3 LYS 86 HB1 LYS 86 -14.892 3.072 -0.711 653 HG2 LYS 86 HG2 LYS 86 -15.051 4.771 1.248 654 HG3 LYS 86 HG1 LYS 86 -13.738 5.550 0.374 655 HD2 LYS 86 HD2 LYS 86 -15.215 5.395 -1.681 656 HD3 LYS 86 HD1 LYS 86 -16.516 4.967 -0.569 657 HE2 LYS 86 HE2 LYS 86 -16.161 7.074 0.634 658 HE3 LYS 86 HE1 LYS 86 -14.896 7.507 -0.511 659 HZ1 LYS 86 HZ1 LYS 86 -16.511 7.505 -2.278 660 HZ2 LYS 86 HZ2 LYS 86 -17.019 8.545 -1.044 661 HZ3 LYS 86 HZ3 LYS 86 -17.735 7.024 -1.214 662 H VAL 87 HN VAL 87 -11.322 2.629 -0.025 663 HA VAL 87 HA VAL 87 -10.210 4.309 2.119 664 HB VAL 87 HB VAL 87 -9.677 2.073 2.754 665 HG11 VAL 87 HG11 VAL 87 -10.053 1.000 0.595 666 HG12 VAL 87 HG12 VAL 87 -8.507 0.510 1.298 667 HG13 VAL 87 HG13 VAL 87 -8.544 1.691 -0.011 668 HG21 VAL 87 HG21 VAL 87 -7.192 2.088 2.628 669 HG22 VAL 87 HG22 VAL 87 -7.878 3.637 3.117 670 HG23 VAL 87 HG23 VAL 87 -7.295 3.412 1.469 671 H ALA 88 HN ALA 88 -8.952 5.892 1.438 672 HA ALA 88 HA ALA 88 -8.351 6.064 -1.406 673 HB1 ALA 88 HB1 ALA 88 -9.326 8.023 -0.318 674 HB2 ALA 88 HB2 ALA 88 -7.712 8.366 -0.946 675 HB3 ALA 88 HB3 ALA 88 -7.948 8.097 0.784 676 H ILE 89 HN ILE 89 -6.534 5.230 -2.080 677 HA ILE 89 HA ILE 89 -4.247 5.151 -0.234 678 HB ILE 89 HB ILE 89 -4.684 3.420 -2.663 679 HG12 ILE 89 HG12 ILE 89 -5.740 3.231 0.066 680 HG13 ILE 89 HG11 ILE 89 -6.247 2.421 -1.402 681 HG21 ILE 89 HG21 ILE 89 -2.960 2.024 -1.412 682 HG22 ILE 89 HG22 ILE 89 -2.640 3.494 -0.487 683 HG23 ILE 89 HG23 ILE 89 -2.407 3.481 -2.235 684 HD11 ILE 89 HD11 ILE 89 -5.583 0.815 0.263 685 HD12 ILE 89 HD12 ILE 89 -3.994 1.573 0.389 686 HD13 ILE 89 HD13 ILE 89 -4.472 0.768 -1.106 687 H SER 90 HN SER 90 -2.866 6.754 -0.632 688 HA SER 90 HA SER 90 -2.636 7.968 -3.230 689 HB2 SER 90 HB2 SER 90 -0.973 8.368 -0.729 690 HB3 SER 90 HB1 SER 90 -0.969 9.408 -2.151 691 HG SER 90 HG SER 90 -2.533 10.421 -1.207 692 H THR 91 HN THR 91 -1.610 6.914 -4.792 693 HA THR 91 HA THR 91 0.691 5.248 -4.098 694 HB THR 91 HB THR 91 0.336 4.448 -6.546 695 HG1 THR 91 HG1 THR 91 -1.929 4.660 -7.137 696 HG21 THR 91 HG21 THR 91 -1.557 2.932 -5.787 697 HG22 THR 91 HG22 THR 91 -1.525 3.826 -4.265 698 HG23 THR 91 HG23 THR 91 -0.099 2.930 -4.786 699 H THR 92 HN THR 92 2.371 5.113 -5.796 700 HA THR 92 HA THR 92 2.859 7.237 -7.595 701 HB THR 92 HB THR 92 3.334 8.559 -5.623 702 HG1 THR 92 HG1 THR 92 5.967 7.964 -6.185 703 HG21 THR 92 HG21 THR 92 3.657 6.646 -4.068 704 HG22 THR 92 HG22 THR 92 4.879 7.911 -3.895 705 HG23 THR 92 HG23 THR 92 5.270 6.418 -4.748 706 HA PRO 93 HA PRO 93 5.364 4.035 -9.379 707 HB2 PRO 93 HB2 PRO 93 7.444 6.112 -9.766 708 HB3 PRO 93 HB1 PRO 93 6.761 4.989 -10.938 709 HG2 PRO 93 HG2 PRO 93 6.034 7.555 -10.930 710 HG3 PRO 93 HG1 PRO 93 4.850 6.276 -11.256 711 HD2 PRO 93 HD2 PRO 93 5.239 7.925 -8.806 712 HD3 PRO 93 HD1 PRO 93 3.747 7.254 -9.493 713 H LEU 94 HN LEU 94 6.970 2.670 -8.889 714 HA LEU 94 HA LEU 94 8.569 3.291 -6.504 715 HB2 LEU 94 HB2 LEU 94 7.211 1.402 -6.041 716 HB3 LEU 94 HB1 LEU 94 7.535 0.688 -7.609 717 HG LEU 94 HG LEU 94 9.873 0.249 -6.916 718 HD11 LEU 94 HD11 LEU 94 8.986 1.160 -4.183 719 HD12 LEU 94 HD12 LEU 94 10.048 2.074 -5.256 720 HD13 LEU 94 HD13 LEU 94 10.564 0.510 -4.626 721 HD21 LEU 94 HD21 LEU 94 9.365 -1.578 -5.398 722 HD22 LEU 94 HD22 LEU 94 8.133 -1.454 -6.654 723 HD23 LEU 94 HD23 LEU 94 7.799 -0.856 -5.029 724 H GLU 95 HN GLU 95 10.031 4.442 -7.821 725 HA GLU 95 HA GLU 95 11.699 2.769 -9.565 726 HB2 GLU 95 HB2 GLU 95 11.789 5.758 -9.389 727 HB3 GLU 95 HB1 GLU 95 12.401 4.735 -10.669 728 HG2 GLU 95 HG2 GLU 95 9.481 4.645 -10.139 729 HG3 GLU 95 HG1 GLU 95 10.137 6.090 -10.909 730 H ASN 96 HN ASN 96 13.504 2.112 -8.736 731 HA ASN 96 HA ASN 96 14.867 3.732 -6.698 732 HB2 ASN 96 HB2 ASN 96 13.672 1.750 -5.709 733 HB3 ASN 96 HB1 ASN 96 14.711 0.712 -6.681 734 HD21 ASN 96 HD21 ASN 96 16.007 -0.244 -5.287 735 HD22 ASN 96 HD22 ASN 96 16.983 0.570 -4.101 736 H2 PRO 97 HT1 PRO 97 5.567 -1.149 -11.506 737 H3 PRO 97 HT2 PRO 97 5.147 -2.260 -12.620 738 HA PRO 97 HA PRO 97 7.073 -3.058 -12.628 739 HB2 PRO 97 HB2 PRO 97 8.640 -0.619 -13.109 740 HB3 PRO 97 HB1 PRO 97 8.522 -2.097 -14.076 741 HG2 PRO 97 HG2 PRO 97 7.349 0.197 -14.848 742 HG3 PRO 97 HG1 PRO 97 6.628 -1.390 -15.176 743 HD2 PRO 97 HD2 PRO 97 5.935 0.600 -13.038 744 HD3 PRO 97 HD1 PRO 97 4.857 -0.365 -14.060 745 H PHE 98 HN PHE 98 8.614 -3.575 -11.118 746 HA PHE 98 HA PHE 98 8.941 -1.674 -8.897 747 HB2 PHE 98 HB2 PHE 98 8.876 -3.456 -7.313 748 HB3 PHE 98 HB1 PHE 98 7.490 -3.681 -8.371 749 HD1 PHE 98 HD1 PHE 98 7.787 -5.344 -10.321 750 HD2 PHE 98 HD2 PHE 98 10.333 -5.213 -6.916 751 HE1 PHE 98 HE1 PHE 98 8.512 -7.649 -10.784 752 HE2 PHE 98 HE2 PHE 98 11.062 -7.520 -7.368 753 HZ PHE 98 HZ PHE 98 10.129 -8.756 -9.257 754 H ASP 99 HN ASP 99 10.938 -2.337 -7.519 755 HA ASP 99 HA ASP 99 13.166 -2.580 -9.388 756 HB2 ASP 99 HB2 ASP 99 13.269 -0.699 -7.864 757 HB3 ASP 99 HB1 ASP 99 13.072 -1.763 -6.476 758 H GLU 100 HN GLU 100 12.962 -3.679 -6.013 759 HA GLU 100 HA GLU 100 13.619 -6.385 -6.925 760 HB2 GLU 100 HB2 GLU 100 15.161 -6.554 -4.921 761 HB3 GLU 100 HB1 GLU 100 15.730 -5.553 -6.249 762 HG2 GLU 100 HG2 GLU 100 15.173 -3.553 -5.068 763 HG3 GLU 100 HG1 GLU 100 14.379 -4.473 -3.789 764 H ASP 101 HN ASP 101 13.184 -8.047 -5.334 765 HA ASP 101 HA ASP 101 11.101 -7.283 -3.400 766 HB2 ASP 101 HB2 ASP 101 9.777 -8.278 -5.009 767 HB3 ASP 101 HB1 ASP 101 11.059 -9.349 -5.555 768 H GLN 102 HN GLN 102 11.519 -7.923 -1.404 769 HA GLN 102 HA GLN 102 13.361 -10.189 -0.994 770 HB2 GLN 102 HB2 GLN 102 13.093 -8.017 1.051 771 HB3 GLN 102 HB1 GLN 102 14.434 -9.112 0.768 772 HG2 GLN 102 HG2 GLN 102 15.276 -7.090 0.063 773 HG3 GLN 102 HG1 GLN 102 14.722 -7.811 -1.447 774 HE21 GLN 102 HE21 GLN 102 14.934 -5.385 -1.894 775 HE22 GLN 102 HE22 GLN 102 13.471 -4.473 -1.703 776 H HIS 103 HN HIS 103 13.074 -11.103 1.309 777 HA HIS 103 HA HIS 103 10.208 -11.526 1.674 778 HB2 HIS 103 HB2 HIS 103 12.019 -13.397 1.520 779 HB3 HIS 103 HB1 HIS 103 12.336 -12.993 3.205 780 HD2 HIS 103 HD2 HIS 103 9.748 -14.832 1.025 781 HE1 HIS 103 HE1 HIS 103 8.486 -15.053 5.056 782 HE2 HIS 103 HE2 HIS 103 8.230 -16.047 2.739 783 H THR 104 HN THR 104 9.279 -10.098 2.951 784 HA THR 104 HA THR 104 10.462 -9.622 5.583 785 HB THR 104 HB THR 104 8.999 -7.334 4.401 786 HG1 THR 104 HG1 THR 104 10.282 -7.225 2.728 787 HG21 THR 104 HG21 THR 104 9.923 -7.239 6.658 788 HG22 THR 104 HG22 THR 104 10.707 -6.061 5.607 789 HG23 THR 104 HG23 THR 104 11.537 -7.560 6.020 790 H GLN 105 HN GLN 105 7.565 -8.225 4.061 791 HA GLN 105 HA GLN 105 5.914 -9.967 5.746 792 HB2 GLN 105 HB2 GLN 105 5.978 -6.981 5.789 793 HB3 GLN 105 HB1 GLN 105 4.451 -7.804 6.062 794 HG2 GLN 105 HG2 GLN 105 5.081 -7.769 8.201 795 HG3 GLN 105 HG1 GLN 105 6.058 -9.163 7.752 796 HE21 GLN 105 HE21 GLN 105 7.586 -8.755 9.323 797 HE22 GLN 105 HE22 GLN 105 8.705 -7.438 9.208 798 H ILE 106 HN ILE 106 3.763 -10.213 5.077 799 HA ILE 106 HA ILE 106 2.832 -9.062 2.601 800 HB ILE 106 HB ILE 106 3.991 -10.765 1.490 801 HG12 ILE 106 HG12 ILE 106 1.258 -11.897 2.122 802 HG13 ILE 106 HG11 ILE 106 1.640 -10.757 0.836 803 HG21 ILE 106 HG21 ILE 106 4.772 -11.971 3.453 804 HG22 ILE 106 HG22 ILE 106 4.143 -13.083 2.237 805 HG23 ILE 106 HG23 ILE 106 3.175 -12.692 3.658 806 HD11 ILE 106 HD11 ILE 106 3.034 -12.474 -0.230 807 HD12 ILE 106 HD12 ILE 106 1.353 -12.972 -0.058 808 HD13 ILE 106 HD13 ILE 106 2.577 -13.610 1.039 809 H THR 107 HN THR 107 0.715 -8.707 2.908 810 HA THR 107 HA THR 107 -0.927 -10.682 4.243 811 HB THR 107 HB THR 107 -0.472 -7.942 5.455 812 HG1 THR 107 HG1 THR 107 0.706 -10.215 5.906 813 HG21 THR 107 HG21 THR 107 -2.523 -10.029 6.228 814 HG22 THR 107 HG22 THR 107 -2.868 -8.458 5.504 815 HG23 THR 107 HG23 THR 107 -2.175 -8.550 7.123 816 H LYS 108 HN LYS 108 -2.976 -10.640 3.635 817 HA LYS 108 HA LYS 108 -3.747 -8.993 1.432 818 HB2 LYS 108 HB2 LYS 108 -5.471 -10.790 3.153 819 HB3 LYS 108 HB1 LYS 108 -5.848 -10.212 1.536 820 HG2 LYS 108 HG2 LYS 108 -4.123 -11.546 0.576 821 HG3 LYS 108 HG1 LYS 108 -3.499 -11.980 2.169 822 HD2 LYS 108 HD2 LYS 108 -5.561 -13.181 2.663 823 HD3 LYS 108 HD1 LYS 108 -6.220 -12.718 1.092 824 HE2 LYS 108 HE2 LYS 108 -4.162 -13.861 0.099 825 HE3 LYS 108 HE1 LYS 108 -3.931 -14.570 1.694 826 HZ1 LYS 108 HZ1 LYS 108 -6.064 -15.619 1.540 827 HZ2 LYS 108 HZ2 LYS 108 -5.187 -15.998 0.144 828 HZ3 LYS 108 HZ3 LYS 108 -6.410 -14.838 0.083 829 H VAL 109 HN VAL 109 -5.180 -7.241 1.437 830 HA VAL 109 HA VAL 109 -5.421 -5.966 4.030 831 HB VAL 109 HB VAL 109 -6.325 -4.034 2.662 832 HG11 VAL 109 HG11 VAL 109 -3.968 -4.261 3.383 833 HG12 VAL 109 HG12 VAL 109 -4.131 -3.411 1.846 834 HG13 VAL 109 HG13 VAL 109 -3.611 -5.099 1.870 835 HG21 VAL 109 HG21 VAL 109 -6.032 -4.086 0.266 836 HG22 VAL 109 HG22 VAL 109 -7.082 -5.420 0.741 837 HG23 VAL 109 HG23 VAL 109 -5.393 -5.727 0.344 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 3.627 20.170 -1.216 2 H2 GLY 1 HT2 GLY 1 3.215 21.113 -2.560 3 H3 GLY 1 HT3 GLY 1 3.154 19.428 -2.660 4 HA2 GLY 1 HA1 GLY 1 1.442 21.093 -0.903 5 HA3 GLY 1 HA2 GLY 1 0.942 20.411 -2.443 6 H GLY 2 HN GLY 2 -0.170 19.947 0.215 7 HA2 GLY 2 HA2 GLY 2 0.617 17.212 0.847 8 HA3 GLY 2 HA1 GLY 2 -0.536 18.197 1.733 9 H SER 3 HN SER 3 -2.670 18.415 0.923 10 HA SER 3 HA SER 3 -3.675 16.012 -0.234 11 HB2 SER 3 HB2 SER 3 -5.244 18.565 0.086 12 HB3 SER 3 HB1 SER 3 -5.822 16.900 0.185 13 HG SER 3 HG SER 3 -4.137 16.907 2.050 14 H MET 4 HN MET 4 -3.167 15.657 -2.328 15 HA MET 4 HA MET 4 -3.970 17.730 -4.256 16 HB2 MET 4 HB2 MET 4 -1.475 17.575 -4.007 17 HB3 MET 4 HB1 MET 4 -1.575 15.919 -4.589 18 HG2 MET 4 HG2 MET 4 -0.915 17.434 -6.362 19 HG3 MET 4 HG1 MET 4 -2.479 16.700 -6.704 20 HE1 MET 4 HE1 MET 4 -2.416 18.569 -8.590 21 HE2 MET 4 HE2 MET 4 -1.139 19.629 -7.988 22 HE3 MET 4 HE3 MET 4 -2.751 20.275 -8.294 23 H ARG 5 HN ARG 5 -3.112 14.285 -3.944 24 HA ARG 5 HA ARG 5 -4.838 13.638 -6.191 25 HB2 ARG 5 HB2 ARG 5 -2.866 12.104 -4.550 26 HB3 ARG 5 HB1 ARG 5 -4.046 11.243 -5.522 27 HG2 ARG 5 HG2 ARG 5 -2.088 11.385 -6.820 28 HG3 ARG 5 HG1 ARG 5 -3.206 12.570 -7.495 29 HD2 ARG 5 HD2 ARG 5 -2.043 14.374 -6.528 30 HD3 ARG 5 HD1 ARG 5 -1.142 13.312 -5.445 31 HE ARG 5 HE ARG 5 -0.667 12.852 -8.256 32 HH11 ARG 5 HH11 ARG 5 0.323 14.580 -5.383 33 HH12 ARG 5 HH12 ARG 5 1.927 14.887 -5.960 34 HH21 ARG 5 HH21 ARG 5 1.445 13.234 -9.024 35 HH22 ARG 5 HH22 ARG 5 2.565 14.130 -8.046 36 HA PRO 6 HA PRO 6 -8.302 12.818 -3.525 37 HB2 PRO 6 HB2 PRO 6 -9.833 11.508 -5.358 38 HB3 PRO 6 HB1 PRO 6 -9.641 13.259 -5.337 39 HG2 PRO 6 HG2 PRO 6 -8.231 11.218 -6.994 40 HG3 PRO 6 HG1 PRO 6 -8.956 12.756 -7.470 41 HD2 PRO 6 HD2 PRO 6 -6.313 12.511 -7.081 42 HD3 PRO 6 HD1 PRO 6 -7.176 14.001 -6.650 43 HA PRO 7 HA PRO 7 -7.183 8.725 -2.157 44 HB2 PRO 7 HB2 PRO 7 -9.636 8.812 -0.550 45 HB3 PRO 7 HB1 PRO 7 -7.956 8.686 -0.023 46 HG2 PRO 7 HG2 PRO 7 -9.408 10.917 0.335 47 HG3 PRO 7 HG1 PRO 7 -7.663 10.969 0.016 48 HD2 PRO 7 HD2 PRO 7 -9.950 11.485 -1.847 49 HD3 PRO 7 HD1 PRO 7 -8.389 12.321 -1.714 50 H ILE 8 HN ILE 8 -7.861 6.627 -2.296 51 HA ILE 8 HA ILE 8 -10.014 6.093 -4.178 52 HB ILE 8 HB ILE 8 -7.951 4.216 -3.029 53 HG12 ILE 8 HG12 ILE 8 -7.137 6.203 -4.474 54 HG13 ILE 8 HG11 ILE 8 -6.578 4.588 -4.874 55 HG21 ILE 8 HG21 ILE 8 -9.389 3.750 -5.593 56 HG22 ILE 8 HG22 ILE 8 -10.205 3.407 -4.068 57 HG23 ILE 8 HG23 ILE 8 -8.692 2.589 -4.458 58 HD11 ILE 8 HD11 ILE 8 -8.169 4.439 -6.674 59 HD12 ILE 8 HD12 ILE 8 -7.184 5.893 -6.850 60 HD13 ILE 8 HD13 ILE 8 -8.836 6.014 -6.242 61 H ILE 9 HN ILE 9 -11.854 6.307 -2.844 62 HA ILE 9 HA ILE 9 -12.049 5.075 -0.297 63 HB ILE 9 HB ILE 9 -14.126 6.206 -2.160 64 HG12 ILE 9 HG12 ILE 9 -14.277 8.005 -0.698 65 HG13 ILE 9 HG11 ILE 9 -13.450 7.169 0.593 66 HG21 ILE 9 HG21 ILE 9 -14.485 4.720 0.392 67 HG22 ILE 9 HG22 ILE 9 -15.443 4.660 -1.088 68 HG23 ILE 9 HG23 ILE 9 -15.577 6.049 -0.006 69 HD11 ILE 9 HD11 ILE 9 -11.355 7.402 -0.608 70 HD12 ILE 9 HD12 ILE 9 -12.119 8.972 -0.364 71 HD13 ILE 9 HD13 ILE 9 -12.199 8.187 -1.942 72 H ILE 10 HN ILE 10 -11.598 2.930 -0.380 73 HA ILE 10 HA ILE 10 -13.058 1.198 -2.202 74 HB ILE 10 HB ILE 10 -11.006 0.462 -0.116 75 HG12 ILE 10 HG12 ILE 10 -10.521 0.719 -3.068 76 HG13 ILE 10 HG11 ILE 10 -10.297 2.082 -1.984 77 HG21 ILE 10 HG21 ILE 10 -12.326 -1.422 -0.758 78 HG22 ILE 10 HG22 ILE 10 -10.762 -1.555 -1.568 79 HG23 ILE 10 HG23 ILE 10 -12.180 -1.008 -2.467 80 HD11 ILE 10 HD11 ILE 10 -8.646 0.788 -0.728 81 HD12 ILE 10 HD12 ILE 10 -8.201 0.969 -2.427 82 HD13 ILE 10 HD13 ILE 10 -8.865 -0.558 -1.848 83 H HIS 11 HN HIS 11 -14.731 0.015 -1.622 84 HA HIS 11 HA HIS 11 -15.737 0.236 1.090 85 HB2 HIS 11 HB2 HIS 11 -16.853 -0.821 -1.503 86 HB3 HIS 11 HB1 HIS 11 -17.683 -1.055 0.033 87 HD2 HIS 11 HD2 HIS 11 -16.301 2.319 0.332 88 HE1 HIS 11 HE1 HIS 11 -19.990 2.840 -1.670 89 HE2 HIS 11 HE2 HIS 11 -18.196 3.982 -0.286 90 H ARG 12 HN ARG 12 -16.328 -1.630 2.340 91 HA ARG 12 HA ARG 12 -14.405 -3.710 2.257 92 HB2 ARG 12 HB2 ARG 12 -15.694 -4.615 4.159 93 HB3 ARG 12 HB1 ARG 12 -15.338 -2.907 4.347 94 HG2 ARG 12 HG2 ARG 12 -17.555 -2.282 3.846 95 HG3 ARG 12 HG1 ARG 12 -17.949 -3.895 3.248 96 HD2 ARG 12 HD2 ARG 12 -17.520 -4.759 5.526 97 HD3 ARG 12 HD1 ARG 12 -17.339 -3.106 6.084 98 HE ARG 12 HE ARG 12 -19.812 -3.402 4.750 99 HH11 ARG 12 HH11 ARG 12 -18.190 -4.250 7.738 100 HH12 ARG 12 HH12 ARG 12 -19.659 -4.362 8.656 101 HH21 ARG 12 HH21 ARG 12 -21.755 -3.549 5.955 102 HH22 ARG 12 HH22 ARG 12 -21.694 -3.965 7.639 103 H ALA 13 HN ALA 13 -14.758 -5.935 1.907 104 HA ALA 13 HA ALA 13 -17.150 -6.583 0.312 105 HB1 ALA 13 HB1 ALA 13 -15.549 -8.293 -0.795 106 HB2 ALA 13 HB2 ALA 13 -14.268 -7.261 -0.158 107 HB3 ALA 13 HB3 ALA 13 -15.458 -6.602 -1.281 108 H GLY 14 HN GLY 14 -14.621 -7.816 2.452 109 HA2 GLY 14 HA2 GLY 14 -16.021 -9.152 4.283 110 HA3 GLY 14 HA1 GLY 14 -16.105 -10.271 2.928 111 H LYS 15 HN LYS 15 -13.970 -10.844 1.932 112 HA LYS 15 HA LYS 15 -12.139 -11.551 4.066 113 HB2 LYS 15 HB2 LYS 15 -12.419 -12.348 1.183 114 HB3 LYS 15 HB1 LYS 15 -10.940 -12.697 2.061 115 HG2 LYS 15 HG2 LYS 15 -13.543 -13.506 3.243 116 HG3 LYS 15 HG1 LYS 15 -12.852 -14.456 1.930 117 HD2 LYS 15 HD2 LYS 15 -10.843 -14.832 3.182 118 HD3 LYS 15 HD1 LYS 15 -11.392 -13.759 4.469 119 HE2 LYS 15 HE2 LYS 15 -13.118 -15.263 5.096 120 HE3 LYS 15 HE1 LYS 15 -12.886 -16.235 3.645 121 HZ1 LYS 15 HZ1 LYS 15 -10.876 -15.935 5.812 122 HZ2 LYS 15 HZ2 LYS 15 -10.762 -16.952 4.467 123 HZ3 LYS 15 HZ3 LYS 15 -11.933 -17.247 5.653 124 H LYS 16 HN LYS 16 -12.177 -9.586 1.154 125 HA LYS 16 HA LYS 16 -9.824 -8.146 2.121 126 HB2 LYS 16 HB2 LYS 16 -10.118 -9.384 -0.622 127 HB3 LYS 16 HB1 LYS 16 -8.981 -8.087 -0.287 128 HG2 LYS 16 HG2 LYS 16 -7.731 -9.465 1.200 129 HG3 LYS 16 HG1 LYS 16 -8.967 -10.723 1.160 130 HD2 LYS 16 HD2 LYS 16 -7.385 -11.562 -0.305 131 HD3 LYS 16 HD1 LYS 16 -8.499 -10.745 -1.397 132 HE2 LYS 16 HE2 LYS 16 -7.007 -8.778 -1.404 133 HE3 LYS 16 HE1 LYS 16 -5.877 -9.647 -0.359 134 HZ1 LYS 16 HZ1 LYS 16 -5.068 -9.919 -2.524 135 HZ2 LYS 16 HZ2 LYS 16 -6.597 -10.247 -3.178 136 HZ3 LYS 16 HZ3 LYS 16 -5.840 -11.385 -2.182 137 H TYR 17 HN TYR 17 -9.540 -6.076 0.975 138 HA TYR 17 HA TYR 17 -12.104 -4.813 0.430 139 HB2 TYR 17 HB2 TYR 17 -9.265 -3.768 0.553 140 HB3 TYR 17 HB1 TYR 17 -10.614 -2.765 0.042 141 HD1 TYR 17 HD1 TYR 17 -12.285 -2.006 1.662 142 HD2 TYR 17 HD2 TYR 17 -8.990 -4.411 2.841 143 HE1 TYR 17 HE1 TYR 17 -12.701 -1.411 4.014 144 HE2 TYR 17 HE2 TYR 17 -9.385 -3.852 5.181 145 HH TYR 17 HH TYR 17 -10.510 -1.847 6.434 146 H GLY 18 HN GLY 18 -10.006 -6.646 -1.220 147 HA2 GLY 18 HA2 GLY 18 -10.505 -7.128 -3.534 148 HA3 GLY 18 HA1 GLY 18 -10.757 -5.409 -3.768 149 H PHE 19 HN PHE 19 -8.101 -5.948 -1.782 150 HA PHE 19 HA PHE 19 -6.289 -6.258 -4.018 151 HB2 PHE 19 HB2 PHE 19 -5.112 -4.240 -3.786 152 HB3 PHE 19 HB1 PHE 19 -6.801 -3.826 -3.863 153 HD1 PHE 19 HD1 PHE 19 -7.996 -3.153 -1.748 154 HD2 PHE 19 HD2 PHE 19 -3.773 -3.652 -1.953 155 HE1 PHE 19 HE1 PHE 19 -7.737 -1.812 0.303 156 HE2 PHE 19 HE2 PHE 19 -3.509 -2.321 0.099 157 HZ PHE 19 HZ PHE 19 -5.493 -1.400 1.227 158 H THR 20 HN THR 20 -4.087 -6.185 -3.477 159 HA THR 20 HA THR 20 -3.523 -7.480 -0.882 160 HB THR 20 HB THR 20 -2.245 -7.887 -3.591 161 HG1 THR 20 HG1 THR 20 -3.014 -10.034 -3.280 162 HG21 THR 20 HG21 THR 20 -1.436 -9.189 -0.980 163 HG22 THR 20 HG22 THR 20 -0.532 -7.896 -1.771 164 HG23 THR 20 HG23 THR 20 -0.714 -9.459 -2.568 165 H LEU 21 HN LEU 21 -2.209 -6.375 0.411 166 HA LEU 21 HA LEU 21 -0.701 -4.151 -0.737 167 HB2 LEU 21 HB2 LEU 21 -2.233 -3.735 1.177 168 HB3 LEU 21 HB1 LEU 21 -1.260 -4.813 2.155 169 HG LEU 21 HG LEU 21 0.624 -3.304 2.053 170 HD11 LEU 21 HD11 LEU 21 0.440 -2.449 -0.180 171 HD12 LEU 21 HD12 LEU 21 0.376 -1.089 0.941 172 HD13 LEU 21 HD13 LEU 21 -1.106 -1.683 0.193 173 HD21 LEU 21 HD21 LEU 21 -1.965 -1.902 2.687 174 HD22 LEU 21 HD22 LEU 21 -0.367 -1.340 3.174 175 HD23 LEU 21 HD23 LEU 21 -0.988 -2.871 3.791 176 H ARG 22 HN ARG 22 1.415 -4.351 -1.059 177 HA ARG 22 HA ARG 22 2.837 -6.409 0.485 178 HB2 ARG 22 HB2 ARG 22 3.122 -5.749 -2.441 179 HB3 ARG 22 HB1 ARG 22 4.299 -6.694 -1.556 180 HG2 ARG 22 HG2 ARG 22 2.175 -8.141 -0.942 181 HG3 ARG 22 HG1 ARG 22 1.551 -7.399 -2.407 182 HD2 ARG 22 HD2 ARG 22 2.623 -9.558 -2.865 183 HD3 ARG 22 HD1 ARG 22 3.417 -8.227 -3.696 184 HE ARG 22 HE ARG 22 4.483 -9.428 -1.222 185 HH11 ARG 22 HH11 ARG 22 4.951 -8.149 -4.450 186 HH12 ARG 22 HH12 ARG 22 6.661 -8.466 -4.474 187 HH21 ARG 22 HH21 ARG 22 6.709 -9.902 -1.268 188 HH22 ARG 22 HH22 ARG 22 7.655 -9.506 -2.672 189 H ALA 23 HN ALA 23 4.385 -5.625 1.671 190 HA ALA 23 HA ALA 23 5.256 -2.887 1.373 191 HB1 ALA 23 HB1 ALA 23 4.814 -3.910 3.593 192 HB2 ALA 23 HB2 ALA 23 6.445 -3.250 3.448 193 HB3 ALA 23 HB3 ALA 23 6.183 -4.991 3.331 194 H ILE 24 HN ILE 24 6.604 -2.576 -0.299 195 HA ILE 24 HA ILE 24 8.624 -4.556 -0.934 196 HB ILE 24 HB ILE 24 9.220 -2.997 -2.813 197 HG12 ILE 24 HG12 ILE 24 6.628 -1.582 -2.223 198 HG13 ILE 24 HG11 ILE 24 8.156 -0.974 -1.584 199 HG21 ILE 24 HG21 ILE 24 7.619 -4.936 -2.940 200 HG22 ILE 24 HG22 ILE 24 7.406 -3.691 -4.170 201 HG23 ILE 24 HG23 ILE 24 6.310 -3.761 -2.790 202 HD11 ILE 24 HD11 ILE 24 7.511 -1.405 -4.493 203 HD12 ILE 24 HD12 ILE 24 9.015 -0.746 -3.846 204 HD13 ILE 24 HD13 ILE 24 7.505 0.146 -3.654 205 H ARG 25 HN ARG 25 10.656 -4.480 -0.341 206 HA ARG 25 HA ARG 25 11.576 -2.147 1.173 207 HB2 ARG 25 HB2 ARG 25 11.581 -4.266 2.367 208 HB3 ARG 25 HB1 ARG 25 12.562 -5.001 1.112 209 HG2 ARG 25 HG2 ARG 25 14.409 -3.490 1.688 210 HG3 ARG 25 HG1 ARG 25 13.418 -2.796 2.977 211 HD2 ARG 25 HD2 ARG 25 13.252 -5.002 4.029 212 HD3 ARG 25 HD1 ARG 25 14.244 -5.692 2.748 213 HE ARG 25 HE ARG 25 16.109 -4.417 3.588 214 HH11 ARG 25 HH11 ARG 25 13.287 -4.509 5.680 215 HH12 ARG 25 HH12 ARG 25 14.184 -4.120 7.112 216 HH21 ARG 25 HH21 ARG 25 17.284 -3.902 5.479 217 HH22 ARG 25 HH22 ARG 25 16.451 -3.771 6.998 218 H VAL 26 HN VAL 26 12.676 -0.762 -0.011 219 HA VAL 26 HA VAL 26 14.537 -1.757 -2.072 220 HB VAL 26 HB VAL 26 13.466 1.066 -1.796 221 HG11 VAL 26 HG11 VAL 26 14.717 -0.363 -4.134 222 HG12 VAL 26 HG12 VAL 26 15.501 0.848 -3.120 223 HG13 VAL 26 HG13 VAL 26 14.127 1.298 -4.130 224 HG21 VAL 26 HG21 VAL 26 11.867 0.539 -3.581 225 HG22 VAL 26 HG22 VAL 26 11.564 -0.408 -2.122 226 HG23 VAL 26 HG23 VAL 26 12.360 -1.153 -3.510 227 H TYR 27 HN TYR 27 16.597 -0.314 -2.178 228 HA TYR 27 HA TYR 27 17.250 0.569 0.535 229 HB2 TYR 27 HB2 TYR 27 18.827 -1.022 -1.427 230 HB3 TYR 27 HB1 TYR 27 19.653 -0.022 -0.255 231 HD1 TYR 27 HD1 TYR 27 19.285 -0.428 2.191 232 HD2 TYR 27 HD2 TYR 27 17.840 -3.088 -0.798 233 HE1 TYR 27 HE1 TYR 27 18.982 -2.171 3.899 234 HE2 TYR 27 HE2 TYR 27 17.536 -4.840 0.899 235 HH TYR 27 HH TYR 27 18.818 -5.199 3.434 236 H MET 28 HN MET 28 18.477 2.363 0.800 237 HA MET 28 HA MET 28 18.210 4.342 -1.248 238 HB2 MET 28 HB2 MET 28 19.337 4.361 1.547 239 HB3 MET 28 HB1 MET 28 19.327 5.770 0.515 240 HG2 MET 28 HG2 MET 28 16.887 4.248 1.367 241 HG3 MET 28 HG1 MET 28 17.483 5.722 2.123 242 HE1 MET 28 HE1 MET 28 18.197 7.783 0.329 243 HE2 MET 28 HE2 MET 28 16.795 8.102 1.348 244 HE3 MET 28 HE3 MET 28 16.744 8.496 -0.370 245 H GLY 29 HN GLY 29 19.632 4.520 -2.840 246 HA2 GLY 29 HA2 GLY 29 22.204 3.297 -2.783 247 HA3 GLY 29 HA1 GLY 29 21.582 4.346 -4.046 248 H ASP 30 HN ASP 30 22.898 4.410 -0.774 249 HA ASP 30 HA ASP 30 24.925 6.252 -1.304 250 HB2 ASP 30 HB2 ASP 30 24.166 8.327 -0.605 251 HB3 ASP 30 HB1 ASP 30 22.737 7.715 -1.428 252 H SER 31 HN SER 31 22.663 4.867 0.961 253 HA SER 31 HA SER 31 24.849 4.529 2.885 254 HB2 SER 31 HB2 SER 31 21.994 5.303 3.546 255 HB3 SER 31 HB1 SER 31 23.250 4.939 4.723 256 HG SER 31 HG SER 31 23.175 7.104 2.877 257 H ASP 32 HN ASP 32 23.466 3.022 4.760 258 HA ASP 32 HA ASP 32 23.022 0.550 3.248 259 HB2 ASP 32 HB2 ASP 32 23.267 -0.562 5.426 260 HB3 ASP 32 HB1 ASP 32 24.656 0.460 5.078 261 H VAL 33 HN VAL 33 21.365 2.987 4.739 262 HA VAL 33 HA VAL 33 19.196 1.739 5.957 263 HB VAL 33 HB VAL 33 19.709 4.086 6.291 264 HG11 VAL 33 HG11 VAL 33 20.251 4.391 3.775 265 HG12 VAL 33 HG12 VAL 33 19.585 5.742 4.690 266 HG13 VAL 33 HG13 VAL 33 18.540 4.787 3.639 267 HG21 VAL 33 HG21 VAL 33 17.414 3.257 6.677 268 HG22 VAL 33 HG22 VAL 33 16.982 3.825 5.066 269 HG23 VAL 33 HG23 VAL 33 17.494 4.976 6.300 270 H TYR 34 HN TYR 34 17.104 1.412 5.294 271 HA TYR 34 HA TYR 34 16.817 0.798 2.432 272 HB2 TYR 34 HB2 TYR 34 15.063 -0.792 3.119 273 HB3 TYR 34 HB1 TYR 34 16.619 -1.165 3.841 274 HD1 TYR 34 HD1 TYR 34 17.012 -0.563 6.269 275 HD2 TYR 34 HD2 TYR 34 13.166 -0.343 4.459 276 HE1 TYR 34 HE1 TYR 34 15.967 -0.546 8.495 277 HE2 TYR 34 HE2 TYR 34 12.117 -0.320 6.681 278 HH TYR 34 HH TYR 34 13.696 0.359 9.453 279 H THR 35 HN THR 35 14.631 0.875 1.634 280 HA THR 35 HA THR 35 13.035 3.062 2.777 281 HB THR 35 HB THR 35 13.068 2.766 -0.180 282 HG1 THR 35 HG1 THR 35 15.042 4.465 0.608 283 HG21 THR 35 HG21 THR 35 11.708 4.442 1.112 284 HG22 THR 35 HG22 THR 35 12.750 5.136 -0.130 285 HG23 THR 35 HG23 THR 35 13.224 5.221 1.567 286 H VAL 36 HN VAL 36 11.382 1.853 3.555 287 HA VAL 36 HA VAL 36 10.289 -0.303 1.939 288 HB VAL 36 HB VAL 36 10.537 -0.837 4.266 289 HG11 VAL 36 HG11 VAL 36 9.146 0.432 5.980 290 HG12 VAL 36 HG12 VAL 36 9.024 1.706 4.766 291 HG13 VAL 36 HG13 VAL 36 10.605 1.221 5.380 292 HG21 VAL 36 HG21 VAL 36 8.211 -1.393 4.895 293 HG22 VAL 36 HG22 VAL 36 8.599 -1.813 3.227 294 HG23 VAL 36 HG23 VAL 36 7.640 -0.372 3.575 295 H HIS 37 HN HIS 37 8.712 0.031 0.554 296 HA HIS 37 HA HIS 37 6.987 2.385 0.929 297 HB2 HIS 37 HB2 HIS 37 7.634 0.870 -1.603 298 HB3 HIS 37 HB1 HIS 37 6.552 2.239 -1.494 299 HD2 HIS 37 HD2 HIS 37 10.377 1.469 -1.327 300 HE1 HIS 37 HE1 HIS 37 9.789 5.614 -1.918 301 HE2 HIS 37 HE2 HIS 37 11.467 3.724 -2.009 302 H HIS 38 HN HIS 38 4.793 2.162 0.739 303 HA HIS 38 HA HIS 38 3.782 -0.583 0.982 304 HB2 HIS 38 HB2 HIS 38 2.478 2.030 1.796 305 HB3 HIS 38 HB1 HIS 38 1.790 0.427 2.036 306 HD2 HIS 38 HD2 HIS 38 3.858 2.940 3.891 307 HE1 HIS 38 HE1 HIS 38 4.638 -0.796 5.709 308 HE2 HIS 38 HE2 HIS 38 5.059 1.696 5.822 309 H MET 39 HN MET 39 3.453 -1.218 -1.061 310 HA MET 39 HA MET 39 1.760 0.509 -2.738 311 HB2 MET 39 HB2 MET 39 3.809 0.465 -3.856 312 HB3 MET 39 HB1 MET 39 4.119 -1.212 -3.432 313 HG2 MET 39 HG2 MET 39 1.741 -0.876 -5.074 314 HG3 MET 39 HG1 MET 39 3.206 -0.286 -5.855 315 HE1 MET 39 HE1 MET 39 5.257 -3.318 -6.627 316 HE2 MET 39 HE2 MET 39 5.496 -1.828 -5.710 317 HE3 MET 39 HE3 MET 39 4.641 -1.789 -7.258 318 H VAL 40 HN VAL 40 -0.001 -0.333 -3.650 319 HA VAL 40 HA VAL 40 -0.994 -2.858 -2.786 320 HB VAL 40 HB VAL 40 -2.741 -1.388 -3.210 321 HG11 VAL 40 HG11 VAL 40 -2.882 0.022 -5.272 322 HG12 VAL 40 HG12 VAL 40 -1.245 -0.505 -5.664 323 HG13 VAL 40 HG13 VAL 40 -1.547 0.415 -4.190 324 HG21 VAL 40 HG21 VAL 40 -3.494 -3.298 -4.290 325 HG22 VAL 40 HG22 VAL 40 -2.362 -3.109 -5.627 326 HG23 VAL 40 HG23 VAL 40 -3.757 -2.029 -5.494 327 H TRP 41 HN TRP 41 -0.363 -4.742 -3.600 328 HA TRP 41 HA TRP 41 1.352 -4.815 -5.909 329 HB2 TRP 41 HB2 TRP 41 1.826 -6.146 -3.899 330 HB3 TRP 41 HB1 TRP 41 0.341 -7.061 -4.164 331 HD1 TRP 41 HD1 TRP 41 0.551 -9.171 -5.628 332 HE1 TRP 41 HE1 TRP 41 2.395 -10.184 -7.121 333 HE3 TRP 41 HE3 TRP 41 3.883 -5.302 -5.533 334 HZ2 TRP 41 HZ2 TRP 41 4.925 -9.429 -8.121 335 HZ3 TRP 41 HZ3 TRP 41 5.986 -5.525 -6.781 336 HH2 TRP 41 HH2 TRP 41 6.497 -7.545 -8.050 337 H HIS 42 HN HIS 42 -1.886 -5.977 -5.123 338 HA HIS 42 HA HIS 42 -2.410 -6.270 -7.976 339 HB2 HIS 42 HB2 HIS 42 -1.517 -8.482 -7.083 340 HB3 HIS 42 HB1 HIS 42 -2.937 -8.560 -6.053 341 HD2 HIS 42 HD2 HIS 42 -1.924 -9.044 -9.759 342 HE1 HIS 42 HE1 HIS 42 -5.974 -10.163 -9.282 343 HE2 HIS 42 HE2 HIS 42 -3.935 -10.323 -10.774 344 H VAL 43 HN VAL 43 -4.550 -6.123 -8.498 345 HA VAL 43 HA VAL 43 -6.421 -5.541 -6.300 346 HB VAL 43 HB VAL 43 -6.598 -4.359 -9.077 347 HG11 VAL 43 HG11 VAL 43 -8.689 -4.472 -7.817 348 HG12 VAL 43 HG12 VAL 43 -8.160 -2.803 -8.026 349 HG13 VAL 43 HG13 VAL 43 -7.935 -3.611 -6.475 350 HG21 VAL 43 HG21 VAL 43 -5.293 -3.229 -6.610 351 HG22 VAL 43 HG22 VAL 43 -5.847 -2.223 -7.950 352 HG23 VAL 43 HG23 VAL 43 -4.596 -3.438 -8.218 353 H GLU 44 HN GLU 44 -7.967 -7.018 -6.175 354 HA GLU 44 HA GLU 44 -8.332 -9.136 -7.899 355 HB2 GLU 44 HB2 GLU 44 -10.324 -7.899 -5.999 356 HB3 GLU 44 HB1 GLU 44 -10.331 -9.531 -6.598 357 HG2 GLU 44 HG2 GLU 44 -8.216 -8.359 -4.833 358 HG3 GLU 44 HG1 GLU 44 -9.532 -9.399 -4.297 359 H ASP 45 HN ASP 45 -9.261 -9.247 -9.843 360 HA ASP 45 HA ASP 45 -10.468 -7.041 -11.098 361 HB2 ASP 45 HB2 ASP 45 -10.031 -9.887 -11.768 362 HB3 ASP 45 HB1 ASP 45 -11.392 -9.122 -12.582 363 H GLY 46 HN GLY 46 -12.400 -6.206 -10.796 364 HA2 GLY 46 HA2 GLY 46 -14.718 -6.171 -10.565 365 HA3 GLY 46 HA1 GLY 46 -14.694 -7.915 -10.336 366 H GLY 47 HN GLY 47 -12.428 -6.246 -8.440 367 HA2 GLY 47 HA2 GLY 47 -13.994 -6.827 -6.052 368 HA3 GLY 47 HA1 GLY 47 -12.287 -6.409 -6.107 369 HA PRO 48 HA PRO 48 -15.157 -2.767 -4.794 370 HB2 PRO 48 HB2 PRO 48 -13.319 -3.071 -2.472 371 HB3 PRO 48 HB1 PRO 48 -15.032 -2.637 -2.481 372 HG2 PRO 48 HG2 PRO 48 -14.355 -5.028 -1.738 373 HG3 PRO 48 HG1 PRO 48 -15.642 -4.846 -2.937 374 HD2 PRO 48 HD2 PRO 48 -12.769 -5.513 -3.402 375 HD3 PRO 48 HD1 PRO 48 -14.214 -6.321 -4.011 376 H ALA 49 HN ALA 49 -11.769 -3.349 -4.080 377 HA ALA 49 HA ALA 49 -10.905 -0.695 -4.204 378 HB1 ALA 49 HB1 ALA 49 -9.331 -3.196 -4.841 379 HB2 ALA 49 HB2 ALA 49 -9.502 -2.443 -3.256 380 HB3 ALA 49 HB3 ALA 49 -8.633 -1.604 -4.540 381 H SER 50 HN SER 50 -11.289 -3.065 -6.768 382 HA SER 50 HA SER 50 -10.047 -1.566 -8.820 383 HB2 SER 50 HB2 SER 50 -10.979 -4.082 -8.678 384 HB3 SER 50 HB1 SER 50 -12.358 -3.323 -9.472 385 HG SER 50 HG SER 50 -11.027 -3.929 -11.108 386 H GLU 51 HN GLU 51 -13.264 -1.729 -7.484 387 HA GLU 51 HA GLU 51 -14.487 -0.039 -9.443 388 HB2 GLU 51 HB2 GLU 51 -15.460 -0.712 -6.663 389 HB3 GLU 51 HB1 GLU 51 -16.435 -0.092 -7.992 390 HG2 GLU 51 HG2 GLU 51 -15.849 -2.187 -9.248 391 HG3 GLU 51 HG1 GLU 51 -15.142 -2.793 -7.753 392 H ALA 52 HN ALA 52 -12.821 0.409 -6.471 393 HA ALA 52 HA ALA 52 -13.660 3.114 -6.038 394 HB1 ALA 52 HB1 ALA 52 -11.248 1.789 -4.845 395 HB2 ALA 52 HB2 ALA 52 -12.886 1.450 -4.289 396 HB3 ALA 52 HB3 ALA 52 -12.237 3.086 -4.171 397 H GLY 53 HN GLY 53 -11.184 1.525 -7.853 398 HA2 GLY 53 HA2 GLY 53 -10.181 2.764 -9.668 399 HA3 GLY 53 HA1 GLY 53 -10.146 4.155 -8.609 400 H LEU 54 HN LEU 54 -9.226 1.441 -6.881 401 HA LEU 54 HA LEU 54 -6.544 2.368 -6.623 402 HB2 LEU 54 HB2 LEU 54 -8.204 0.651 -5.225 403 HB3 LEU 54 HB1 LEU 54 -6.969 -0.408 -5.848 404 HG LEU 54 HG LEU 54 -6.768 1.761 -3.817 405 HD11 LEU 54 HD11 LEU 54 -6.919 -0.642 -3.226 406 HD12 LEU 54 HD12 LEU 54 -5.435 0.134 -2.658 407 HD13 LEU 54 HD13 LEU 54 -5.398 -0.909 -4.081 408 HD21 LEU 54 HD21 LEU 54 -5.141 2.632 -5.237 409 HD22 LEU 54 HD22 LEU 54 -4.625 1.037 -5.782 410 HD23 LEU 54 HD23 LEU 54 -4.229 1.586 -4.153 411 H ARG 55 HN ARG 55 -4.787 1.800 -7.683 412 HA ARG 55 HA ARG 55 -4.987 -0.349 -9.672 413 HB2 ARG 55 HB2 ARG 55 -3.214 2.082 -9.872 414 HB3 ARG 55 HB1 ARG 55 -3.584 0.911 -11.136 415 HG2 ARG 55 HG2 ARG 55 -5.650 2.676 -9.854 416 HG3 ARG 55 HG1 ARG 55 -4.771 3.108 -11.315 417 HD2 ARG 55 HD2 ARG 55 -5.699 1.260 -12.508 418 HD3 ARG 55 HD1 ARG 55 -6.361 0.567 -11.031 419 HE ARG 55 HE ARG 55 -7.332 3.189 -11.888 420 HH11 ARG 55 HH11 ARG 55 -7.914 -0.245 -11.513 421 HH12 ARG 55 HH12 ARG 55 -9.634 -0.103 -11.700 422 HH21 ARG 55 HH21 ARG 55 -9.607 3.378 -12.116 423 HH22 ARG 55 HH22 ARG 55 -10.590 1.948 -12.070 424 H GLN 56 HN GLN 56 -3.558 -1.928 -9.563 425 HA GLN 56 HA GLN 56 -1.770 -2.048 -7.358 426 HB2 GLN 56 HB2 GLN 56 -1.060 -4.240 -8.553 427 HB3 GLN 56 HB1 GLN 56 -2.657 -4.117 -7.842 428 HG2 GLN 56 HG2 GLN 56 -3.659 -3.722 -9.934 429 HG3 GLN 56 HG1 GLN 56 -2.093 -3.540 -10.666 430 HE21 GLN 56 HE21 GLN 56 -0.823 -5.362 -11.088 431 HE22 GLN 56 HE22 GLN 56 -1.517 -6.945 -11.129 432 H GLY 57 HN GLY 57 0.261 -1.456 -7.228 433 HA2 GLY 57 HA2 GLY 57 2.493 -1.456 -8.134 434 HA3 GLY 57 HA1 GLY 57 1.813 -1.133 -9.712 435 H ASP 58 HN ASP 58 0.236 0.709 -7.380 436 HA ASP 58 HA ASP 58 1.696 3.100 -8.199 437 HB2 ASP 58 HB2 ASP 58 -0.794 2.788 -6.505 438 HB3 ASP 58 HB1 ASP 58 -0.082 4.326 -6.956 439 H LEU 59 HN LEU 59 0.931 4.507 -5.743 440 HA LEU 59 HA LEU 59 2.548 3.213 -3.738 441 HB2 LEU 59 HB2 LEU 59 3.174 5.746 -5.126 442 HB3 LEU 59 HB1 LEU 59 3.355 5.760 -3.382 443 HG LEU 59 HG LEU 59 4.752 3.917 -5.308 444 HD11 LEU 59 HD11 LEU 59 5.609 6.197 -5.339 445 HD12 LEU 59 HD12 LEU 59 6.765 5.106 -4.576 446 HD13 LEU 59 HD13 LEU 59 5.771 6.170 -3.584 447 HD21 LEU 59 HD21 LEU 59 4.759 4.045 -2.301 448 HD22 LEU 59 HD22 LEU 59 6.055 3.291 -3.228 449 HD23 LEU 59 HD23 LEU 59 4.414 2.656 -3.334 450 H ILE 60 HN ILE 60 1.281 3.119 -2.025 451 HA ILE 60 HA ILE 60 -0.879 4.982 -1.676 452 HB ILE 60 HB ILE 60 0.135 2.755 0.107 453 HG12 ILE 60 HG12 ILE 60 -2.450 2.835 -1.450 454 HG13 ILE 60 HG11 ILE 60 -0.955 2.237 -2.162 455 HG21 ILE 60 HG21 ILE 60 -0.903 4.315 1.546 456 HG22 ILE 60 HG22 ILE 60 -2.098 3.050 1.253 457 HG23 ILE 60 HG23 ILE 60 -2.221 4.596 0.412 458 HD11 ILE 60 HD11 ILE 60 -0.814 0.515 -0.471 459 HD12 ILE 60 HD12 ILE 60 -2.366 0.440 -1.307 460 HD13 ILE 60 HD13 ILE 60 -2.266 1.138 0.311 461 H THR 61 HN THR 61 -0.421 6.983 -0.973 462 HA THR 61 HA THR 61 1.923 7.413 0.684 463 HB THR 61 HB THR 61 1.715 8.965 -1.105 464 HG1 THR 61 HG1 THR 61 0.816 10.469 1.122 465 HG21 THR 61 HG21 THR 61 -0.183 10.422 -1.453 466 HG22 THR 61 HG22 THR 61 -1.000 9.748 -0.045 467 HG23 THR 61 HG23 THR 61 -0.725 8.744 -1.469 468 H HIS 62 HN HIS 62 -1.597 7.587 0.998 469 HA HIS 62 HA HIS 62 -1.222 7.753 3.890 470 HB2 HIS 62 HB2 HIS 62 -3.100 9.632 2.437 471 HB3 HIS 62 HB1 HIS 62 -2.950 9.474 4.174 472 HD2 HIS 62 HD2 HIS 62 -0.758 10.715 5.328 473 HE1 HIS 62 HE1 HIS 62 0.427 12.699 1.787 474 HE2 HIS 62 HE2 HIS 62 0.641 12.648 4.307 475 H VAL 63 HN VAL 63 -2.871 6.859 5.079 476 HA VAL 63 HA VAL 63 -5.000 5.524 3.536 477 HB VAL 63 HB VAL 63 -3.498 4.452 5.934 478 HG11 VAL 63 HG11 VAL 63 -5.977 4.002 5.936 479 HG12 VAL 63 HG12 VAL 63 -4.949 2.568 5.929 480 HG13 VAL 63 HG13 VAL 63 -5.736 3.097 4.442 481 HG21 VAL 63 HG21 VAL 63 -2.326 4.223 3.778 482 HG22 VAL 63 HG22 VAL 63 -3.728 3.373 3.126 483 HG23 VAL 63 HG23 VAL 63 -2.803 2.662 4.449 484 H ASN 64 HN ASN 64 -6.889 6.381 4.052 485 HA ASN 64 HA ASN 64 -8.598 7.325 5.204 486 HB2 ASN 64 HB2 ASN 64 -7.186 5.978 7.509 487 HB3 ASN 64 HB1 ASN 64 -8.713 6.833 7.696 488 HD21 ASN 64 HD21 ASN 64 -7.780 3.943 7.837 489 HD22 ASN 64 HD22 ASN 64 -8.949 3.097 6.895 490 H GLY 65 HN GLY 65 -6.111 8.757 4.696 491 HA2 GLY 65 HA2 GLY 65 -5.498 10.968 4.960 492 HA3 GLY 65 HA1 GLY 65 -6.700 11.109 6.234 493 H GLU 66 HN GLU 66 -4.412 8.527 6.500 494 HA GLU 66 HA GLU 66 -3.042 10.047 8.618 495 HB2 GLU 66 HB2 GLU 66 -3.232 7.055 8.382 496 HB3 GLU 66 HB1 GLU 66 -2.713 7.986 9.780 497 HG2 GLU 66 HG2 GLU 66 -5.476 8.259 8.688 498 HG3 GLU 66 HG1 GLU 66 -5.057 6.936 9.760 499 HA PRO 67 HA PRO 67 0.659 9.593 6.197 500 HB2 PRO 67 HB2 PRO 67 2.187 9.933 8.666 501 HB3 PRO 67 HB1 PRO 67 2.080 11.004 7.269 502 HG2 PRO 67 HG2 PRO 67 0.982 11.616 9.666 503 HG3 PRO 67 HG1 PRO 67 0.297 12.160 8.129 504 HD2 PRO 67 HD2 PRO 67 -0.573 9.933 9.900 505 HD3 PRO 67 HD1 PRO 67 -1.553 11.089 8.982 506 H VAL 68 HN VAL 68 1.207 7.614 5.556 507 HA VAL 68 HA VAL 68 1.741 5.557 7.569 508 HB VAL 68 HB VAL 68 1.568 3.930 5.785 509 HG11 VAL 68 HG11 VAL 68 -0.783 4.142 5.307 510 HG12 VAL 68 HG12 VAL 68 -0.729 5.876 5.629 511 HG13 VAL 68 HG13 VAL 68 -0.472 4.726 6.942 512 HG21 VAL 68 HG21 VAL 68 0.951 4.569 3.506 513 HG22 VAL 68 HG22 VAL 68 2.514 5.247 3.961 514 HG23 VAL 68 HG23 VAL 68 1.079 6.273 3.948 515 H HIS 69 HN HIS 69 3.373 7.768 5.747 516 HA HIS 69 HA HIS 69 5.634 6.244 4.931 517 HB2 HIS 69 HB2 HIS 69 4.830 8.540 4.068 518 HB3 HIS 69 HB1 HIS 69 5.649 9.206 5.473 519 HD2 HIS 69 HD2 HIS 69 7.323 6.322 3.460 520 HE1 HIS 69 HE1 HIS 69 9.406 9.931 2.728 521 HE2 HIS 69 HE2 HIS 69 9.275 7.459 2.186 522 H GLY 70 HN GLY 70 6.265 5.057 6.747 523 HA2 GLY 70 HA2 GLY 70 8.364 5.603 8.187 524 HA3 GLY 70 HA1 GLY 70 7.201 6.575 9.072 525 H LEU 71 HN LEU 71 5.069 4.466 8.489 526 HA LEU 71 HA LEU 71 5.558 2.948 10.875 527 HB2 LEU 71 HB2 LEU 71 3.405 2.291 8.907 528 HB3 LEU 71 HB1 LEU 71 3.415 2.073 10.642 529 HG LEU 71 HG LEU 71 3.296 4.743 9.318 530 HD11 LEU 71 HD11 LEU 71 1.304 3.995 8.624 531 HD12 LEU 71 HD12 LEU 71 0.838 4.423 10.271 532 HD13 LEU 71 HD13 LEU 71 1.221 2.747 9.865 533 HD21 LEU 71 HD21 LEU 71 2.345 5.370 11.576 534 HD22 LEU 71 HD22 LEU 71 4.062 4.962 11.558 535 HD23 LEU 71 HD23 LEU 71 2.882 3.785 12.136 536 H VAL 72 HN VAL 72 4.502 0.571 10.432 537 HA VAL 72 HA VAL 72 6.474 -0.811 8.765 538 HB VAL 72 HB VAL 72 5.937 -2.794 10.090 539 HG11 VAL 72 HG11 VAL 72 6.723 -2.015 12.312 540 HG12 VAL 72 HG12 VAL 72 6.504 -0.354 11.763 541 HG13 VAL 72 HG13 VAL 72 7.684 -1.397 10.968 542 HG21 VAL 72 HG21 VAL 72 3.685 -1.093 10.959 543 HG22 VAL 72 HG22 VAL 72 4.449 -2.062 12.233 544 HG23 VAL 72 HG23 VAL 72 3.794 -2.853 10.798 545 H HIS 73 HN HIS 73 5.330 -3.111 8.135 546 HA HIS 73 HA HIS 73 3.445 -2.435 6.148 547 HB2 HIS 73 HB2 HIS 73 5.016 -4.323 5.955 548 HB3 HIS 73 HB1 HIS 73 4.152 -5.161 7.238 549 HD1 HIS 73 HD1 HIS 73 3.010 -3.533 3.957 550 HD2 HIS 73 HD2 HIS 73 2.602 -7.029 6.164 551 HE1 HIS 73 HE1 HIS 73 1.484 -5.041 2.623 552 H THR 74 HN THR 74 3.082 -4.105 9.273 553 HA THR 74 HA THR 74 0.308 -4.626 8.948 554 HB THR 74 HB THR 74 0.465 -4.841 11.538 555 HG1 THR 74 HG1 THR 74 2.371 -4.390 12.342 556 HG21 THR 74 HG21 THR 74 0.316 -6.741 10.050 557 HG22 THR 74 HG22 THR 74 1.547 -7.056 11.273 558 HG23 THR 74 HG23 THR 74 2.024 -6.592 9.639 559 H GLU 75 HN GLU 75 2.060 -1.857 10.295 560 HA GLU 75 HA GLU 75 -0.005 -0.715 11.739 561 HB2 GLU 75 HB2 GLU 75 2.328 0.560 10.309 562 HB3 GLU 75 HB1 GLU 75 1.160 1.453 11.219 563 HG2 GLU 75 HG2 GLU 75 2.547 -0.843 12.455 564 HG3 GLU 75 HG1 GLU 75 3.265 0.771 12.442 565 H VAL 76 HN VAL 76 0.811 -0.424 8.338 566 HA VAL 76 HA VAL 76 -1.341 1.403 7.816 567 HB VAL 76 HB VAL 76 -0.730 1.281 5.500 568 HG11 VAL 76 HG11 VAL 76 0.721 2.599 6.909 569 HG12 VAL 76 HG12 VAL 76 1.676 1.820 5.646 570 HG13 VAL 76 HG13 VAL 76 1.694 1.180 7.290 571 HG21 VAL 76 HG21 VAL 76 0.928 -0.276 4.630 572 HG22 VAL 76 HG22 VAL 76 -0.447 -1.153 5.306 573 HG23 VAL 76 HG23 VAL 76 1.062 -1.041 6.213 574 H VAL 77 HN VAL 77 -0.836 -2.064 7.616 575 HA VAL 77 HA VAL 77 -3.132 -2.791 6.174 576 HB VAL 77 HB VAL 77 -1.450 -4.215 8.226 577 HG11 VAL 77 HG11 VAL 77 -3.830 -4.984 8.414 578 HG12 VAL 77 HG12 VAL 77 -2.665 -6.232 7.972 579 HG13 VAL 77 HG13 VAL 77 -3.714 -5.527 6.739 580 HG21 VAL 77 HG21 VAL 77 -0.846 -5.612 6.293 581 HG22 VAL 77 HG22 VAL 77 -0.489 -3.906 6.018 582 HG23 VAL 77 HG23 VAL 77 -1.909 -4.639 5.275 583 H GLU 78 HN GLU 78 -2.581 -2.527 9.658 584 HA GLU 78 HA GLU 78 -5.177 -3.042 10.527 585 HB2 GLU 78 HB2 GLU 78 -3.194 -1.175 11.723 586 HB3 GLU 78 HB1 GLU 78 -4.563 -1.865 12.557 587 HG2 GLU 78 HG2 GLU 78 -3.612 -4.069 12.186 588 HG3 GLU 78 HG1 GLU 78 -2.196 -3.339 11.466 589 H LEU 79 HN LEU 79 -3.548 -0.042 9.923 590 HA LEU 79 HA LEU 79 -5.465 1.837 10.360 591 HB2 LEU 79 HB2 LEU 79 -3.045 1.760 9.000 592 HB3 LEU 79 HB1 LEU 79 -4.185 2.336 7.801 593 HG LEU 79 HG LEU 79 -4.892 4.082 9.509 594 HD11 LEU 79 HD11 LEU 79 -3.899 2.951 11.464 595 HD12 LEU 79 HD12 LEU 79 -3.321 4.606 11.271 596 HD13 LEU 79 HD13 LEU 79 -2.295 3.251 10.797 597 HD21 LEU 79 HD21 LEU 79 -2.475 3.907 7.880 598 HD22 LEU 79 HD22 LEU 79 -2.416 5.155 9.129 599 HD23 LEU 79 HD23 LEU 79 -3.720 5.159 7.939 600 H ILE 80 HN ILE 80 -5.012 0.215 7.187 601 HA ILE 80 HA ILE 80 -7.268 1.105 5.902 602 HB ILE 80 HB ILE 80 -5.949 -1.602 5.802 603 HG12 ILE 80 HG12 ILE 80 -5.587 0.552 3.787 604 HG13 ILE 80 HG11 ILE 80 -4.749 0.682 5.317 605 HG21 ILE 80 HG21 ILE 80 -7.888 -0.326 3.891 606 HG22 ILE 80 HG22 ILE 80 -8.123 -1.791 4.849 607 HG23 ILE 80 HG23 ILE 80 -6.936 -1.771 3.542 608 HD11 ILE 80 HD11 ILE 80 -3.563 -1.276 4.970 609 HD12 ILE 80 HD12 ILE 80 -3.483 -0.395 3.441 610 HD13 ILE 80 HD13 ILE 80 -4.584 -1.766 3.617 611 H LEU 81 HN LEU 81 -6.922 -1.896 7.764 612 HA LEU 81 HA LEU 81 -9.540 -2.789 7.647 613 HB2 LEU 81 HB2 LEU 81 -7.378 -3.104 9.696 614 HB3 LEU 81 HB1 LEU 81 -8.949 -3.836 9.946 615 HG LEU 81 HG LEU 81 -7.231 -4.360 7.524 616 HD11 LEU 81 HD11 LEU 81 -6.069 -5.129 9.510 617 HD12 LEU 81 HD12 LEU 81 -6.684 -6.499 8.587 618 HD13 LEU 81 HD13 LEU 81 -7.518 -5.978 10.050 619 HD21 LEU 81 HD21 LEU 81 -9.598 -4.776 7.171 620 HD22 LEU 81 HD22 LEU 81 -9.662 -5.761 8.633 621 HD23 LEU 81 HD23 LEU 81 -8.711 -6.298 7.248 622 H LYS 82 HN LYS 82 -8.133 -0.519 10.001 623 HA LYS 82 HA LYS 82 -10.400 -0.303 11.638 624 HB2 LYS 82 HB2 LYS 82 -8.130 1.626 11.248 625 HB3 LYS 82 HB1 LYS 82 -9.287 1.665 12.578 626 HG2 LYS 82 HG2 LYS 82 -8.570 -0.666 13.117 627 HG3 LYS 82 HG1 LYS 82 -7.296 -0.465 11.940 628 HD2 LYS 82 HD2 LYS 82 -7.566 1.618 14.042 629 HD3 LYS 82 HD1 LYS 82 -6.912 0.051 14.519 630 HE2 LYS 82 HE2 LYS 82 -5.262 0.260 12.652 631 HE3 LYS 82 HE1 LYS 82 -5.842 1.905 12.403 632 HZ1 LYS 82 HZ1 LYS 82 -3.801 1.612 13.841 633 HZ2 LYS 82 HZ2 LYS 82 -4.830 0.982 15.024 634 HZ3 LYS 82 HZ3 LYS 82 -5.039 2.568 14.479 635 H SER 83 HN SER 83 -10.113 0.808 8.507 636 HA SER 83 HA SER 83 -11.138 3.363 8.483 637 HB2 SER 83 HB2 SER 83 -12.063 2.754 6.235 638 HB3 SER 83 HB1 SER 83 -10.364 2.343 6.464 639 HG SER 83 HG SER 83 -10.828 0.285 6.356 640 H GLY 84 HN GLY 84 -13.139 0.432 8.007 641 HA2 GLY 84 HA2 GLY 84 -15.158 0.061 9.255 642 HA3 GLY 84 HA1 GLY 84 -15.303 1.800 9.465 643 H ASN 85 HN ASN 85 -15.711 -0.876 7.284 644 HA ASN 85 HA ASN 85 -17.169 -1.259 5.603 645 HB2 ASN 85 HB2 ASN 85 -19.079 -0.268 6.296 646 HB3 ASN 85 HB1 ASN 85 -18.269 1.235 6.718 647 HD21 ASN 85 HD21 ASN 85 -19.680 -0.606 4.082 648 HD22 ASN 85 HD22 ASN 85 -19.941 0.744 3.039 649 H LYS 86 HN LYS 86 -15.468 1.828 5.470 650 HA LYS 86 HA LYS 86 -14.598 1.162 2.809 651 HB2 LYS 86 HB2 LYS 86 -15.047 3.430 1.977 652 HB3 LYS 86 HB1 LYS 86 -16.488 2.503 2.303 653 HG2 LYS 86 HG2 LYS 86 -16.458 3.662 4.595 654 HG3 LYS 86 HG1 LYS 86 -15.349 4.779 3.807 655 HD2 LYS 86 HD2 LYS 86 -17.233 4.790 1.965 656 HD3 LYS 86 HD1 LYS 86 -18.231 4.312 3.339 657 HE2 LYS 86 HE2 LYS 86 -17.511 6.279 4.571 658 HE3 LYS 86 HE1 LYS 86 -16.459 6.748 3.235 659 HZ1 LYS 86 HZ1 LYS 86 -18.429 6.957 1.835 660 HZ2 LYS 86 HZ2 LYS 86 -18.506 7.989 3.168 661 HZ3 LYS 86 HZ3 LYS 86 -19.418 6.564 3.148 662 H VAL 87 HN VAL 87 -12.770 2.168 2.204 663 HA VAL 87 HA VAL 87 -11.379 3.676 4.312 664 HB VAL 87 HB VAL 87 -10.624 1.416 4.522 665 HG11 VAL 87 HG11 VAL 87 -11.297 0.633 2.301 666 HG12 VAL 87 HG12 VAL 87 -9.640 0.161 2.694 667 HG13 VAL 87 HG13 VAL 87 -9.934 1.504 1.589 668 HG21 VAL 87 HG21 VAL 87 -8.631 3.204 3.144 669 HG22 VAL 87 HG22 VAL 87 -8.188 1.673 3.896 670 HG23 VAL 87 HG23 VAL 87 -8.866 2.973 4.877 671 H ALA 88 HN ALA 88 -10.309 5.404 3.642 672 HA ALA 88 HA ALA 88 -10.275 5.976 0.780 673 HB1 ALA 88 HB1 ALA 88 -11.191 7.696 2.239 674 HB2 ALA 88 HB2 ALA 88 -9.723 8.261 1.439 675 HB3 ALA 88 HB3 ALA 88 -9.667 7.760 3.130 676 H ILE 89 HN ILE 89 -8.537 5.392 -0.285 677 HA ILE 89 HA ILE 89 -5.952 5.393 1.121 678 HB ILE 89 HB ILE 89 -6.587 3.864 -1.391 679 HG12 ILE 89 HG12 ILE 89 -7.293 3.289 1.407 680 HG13 ILE 89 HG11 ILE 89 -7.927 2.615 -0.081 681 HG21 ILE 89 HG21 ILE 89 -4.628 2.521 -0.524 682 HG22 ILE 89 HG22 ILE 89 -4.342 3.861 0.589 683 HG23 ILE 89 HG23 ILE 89 -4.278 4.130 -1.153 684 HD11 ILE 89 HD11 ILE 89 -6.950 0.869 1.235 685 HD12 ILE 89 HD12 ILE 89 -5.429 1.758 1.344 686 HD13 ILE 89 HD13 ILE 89 -5.972 1.128 -0.210 687 H SER 90 HN SER 90 -4.803 7.136 0.662 688 HA SER 90 HA SER 90 -5.166 8.619 -1.768 689 HB2 SER 90 HB2 SER 90 -2.929 8.996 0.220 690 HB3 SER 90 HB1 SER 90 -3.693 10.203 -0.814 691 HG SER 90 HG SER 90 -4.868 10.590 0.891 692 H THR 91 HN THR 91 -4.224 8.138 -3.638 693 HA THR 91 HA THR 91 -1.860 6.403 -3.609 694 HB THR 91 HB THR 91 -2.662 6.228 -6.156 695 HG1 THR 91 HG1 THR 91 -5.180 6.309 -4.921 696 HG21 THR 91 HG21 THR 91 -2.395 4.302 -4.750 697 HG22 THR 91 HG22 THR 91 -4.010 4.228 -5.468 698 HG23 THR 91 HG23 THR 91 -3.809 4.746 -3.792 699 H THR 92 HN THR 92 -0.292 6.698 -5.281 700 HA THR 92 HA THR 92 -0.133 9.122 -6.789 701 HB THR 92 HB THR 92 0.600 10.092 -4.702 702 HG1 THR 92 HG1 THR 92 2.952 9.443 -6.183 703 HG21 THR 92 HG21 THR 92 1.102 8.021 -3.501 704 HG22 THR 92 HG22 THR 92 2.428 9.182 -3.369 705 HG23 THR 92 HG23 THR 92 2.561 7.811 -4.472 706 HA PRO 93 HA PRO 93 2.168 6.440 -9.470 707 HB2 PRO 93 HB2 PRO 93 4.168 8.641 -9.620 708 HB3 PRO 93 HB1 PRO 93 3.411 7.731 -10.927 709 HG2 PRO 93 HG2 PRO 93 2.595 10.197 -10.370 710 HG3 PRO 93 HG1 PRO 93 1.419 8.934 -10.785 711 HD2 PRO 93 HD2 PRO 93 2.060 10.130 -8.130 712 HD3 PRO 93 HD1 PRO 93 0.510 9.535 -8.755 713 H LEU 94 HN LEU 94 3.928 5.113 -9.548 714 HA LEU 94 HA LEU 94 5.763 5.250 -7.256 715 HB2 LEU 94 HB2 LEU 94 4.491 3.244 -7.074 716 HB3 LEU 94 HB1 LEU 94 4.655 2.902 -8.787 717 HG LEU 94 HG LEU 94 7.093 2.486 -8.426 718 HD11 LEU 94 HD11 LEU 94 6.392 2.612 -5.502 719 HD12 LEU 94 HD12 LEU 94 7.337 3.817 -6.376 720 HD13 LEU 94 HD13 LEU 94 7.949 2.174 -6.203 721 HD21 LEU 94 HD21 LEU 94 6.812 0.294 -7.496 722 HD22 LEU 94 HD22 LEU 94 5.396 0.682 -8.475 723 HD23 LEU 94 HD23 LEU 94 5.304 0.771 -6.716 724 H GLU 95 HN GLU 95 6.990 6.765 -8.550 725 HA GLU 95 HA GLU 95 8.502 5.484 -10.714 726 HB2 GLU 95 HB2 GLU 95 8.463 8.409 -10.029 727 HB3 GLU 95 HB1 GLU 95 9.085 7.671 -11.490 728 HG2 GLU 95 HG2 GLU 95 6.175 7.511 -10.750 729 HG3 GLU 95 HG1 GLU 95 6.850 8.864 -11.661 730 H ASN 96 HN ASN 96 10.463 4.848 -10.261 731 HA ASN 96 HA ASN 96 12.064 6.276 -8.276 732 HB2 ASN 96 HB2 ASN 96 10.949 4.343 -7.126 733 HB3 ASN 96 HB1 ASN 96 11.778 3.265 -8.242 734 HD21 ASN 96 HD21 ASN 96 13.946 2.864 -7.985 735 HD22 ASN 96 HD22 ASN 96 14.846 3.382 -6.599 736 H2 PRO 97 HT1 PRO 97 10.143 -8.099 -8.327 737 H3 PRO 97 HT2 PRO 97 11.314 -8.849 -9.194 738 HA PRO 97 HA PRO 97 11.408 -7.369 -10.743 739 HB2 PRO 97 HB2 PRO 97 8.865 -6.049 -10.731 740 HB3 PRO 97 HB1 PRO 97 9.581 -7.039 -12.013 741 HG2 PRO 97 HG2 PRO 97 7.683 -7.805 -9.879 742 HG3 PRO 97 HG1 PRO 97 7.934 -8.527 -11.477 743 HD2 PRO 97 HD2 PRO 97 8.746 -9.796 -9.276 744 HD3 PRO 97 HD1 PRO 97 9.734 -9.825 -10.747 745 H PHE 98 HN PHE 98 12.768 -6.272 -9.418 746 HA PHE 98 HA PHE 98 13.569 -4.820 -7.885 747 HB2 PHE 98 HB2 PHE 98 12.928 -2.483 -8.266 748 HB3 PHE 98 HB1 PHE 98 13.219 -3.344 -9.765 749 HD1 PHE 98 HD2 PHE 98 10.710 -1.694 -7.672 750 HD2 PHE 98 HD1 PHE 98 11.427 -3.740 -11.337 751 HE1 PHE 98 HE2 PHE 98 8.552 -0.890 -8.538 752 HE2 PHE 98 HE1 PHE 98 9.275 -2.931 -12.210 753 HZ PHE 98 HZ PHE 98 7.836 -1.507 -10.811 754 H ASP 99 HN ASP 99 11.534 -6.470 -6.792 755 HA ASP 99 HA ASP 99 10.614 -4.698 -4.634 756 HB2 ASP 99 HB2 ASP 99 8.535 -5.930 -4.451 757 HB3 ASP 99 HB1 ASP 99 8.708 -5.334 -6.094 758 H GLU 100 HN GLU 100 11.443 -7.994 -5.595 759 HA GLU 100 HA GLU 100 11.718 -8.847 -2.843 760 HB2 GLU 100 HB2 GLU 100 12.519 -10.368 -5.325 761 HB3 GLU 100 HB1 GLU 100 12.163 -11.024 -3.736 762 HG2 GLU 100 HG2 GLU 100 10.025 -9.522 -5.142 763 HG3 GLU 100 HG1 GLU 100 10.427 -11.141 -5.710 764 H ASP 101 HN ASP 101 13.383 -6.936 -2.715 765 HA ASP 101 HA ASP 101 15.991 -7.460 -3.788 766 HB2 ASP 101 HB2 ASP 101 15.102 -5.172 -3.133 767 HB3 ASP 101 HB1 ASP 101 15.355 -5.647 -1.456 768 H GLN 102 HN GLN 102 15.177 -7.085 -0.356 769 HA GLN 102 HA GLN 102 16.821 -9.466 0.202 770 HB2 GLN 102 HB2 GLN 102 16.534 -6.901 1.760 771 HB3 GLN 102 HB1 GLN 102 17.205 -8.363 2.468 772 HG2 GLN 102 HG2 GLN 102 18.294 -6.802 0.138 773 HG3 GLN 102 HG1 GLN 102 18.994 -6.945 1.749 774 HE21 GLN 102 HE21 GLN 102 20.104 -7.606 -0.885 775 HE22 GLN 102 HE22 GLN 102 20.560 -9.273 -0.798 776 H HIS 103 HN HIS 103 14.109 -7.514 1.371 777 HA HIS 103 HA HIS 103 12.761 -9.953 2.192 778 HB2 HIS 103 HB2 HIS 103 14.086 -8.862 4.147 779 HB3 HIS 103 HB1 HIS 103 12.827 -7.634 4.109 780 HD2 HIS 103 HD2 HIS 103 10.437 -8.338 5.243 781 HE1 HIS 103 HE1 HIS 103 11.552 -12.313 6.178 782 HE2 HIS 103 HE2 HIS 103 9.858 -10.475 6.599 783 H THR 104 HN THR 104 10.542 -9.789 2.154 784 HA THR 104 HA THR 104 9.318 -7.211 1.581 785 HB THR 104 HB THR 104 8.182 -9.105 -0.243 786 HG1 THR 104 HG1 THR 104 9.961 -9.555 -1.547 787 HG21 THR 104 HG21 THR 104 8.090 -6.646 -0.416 788 HG22 THR 104 HG22 THR 104 8.697 -7.400 -1.891 789 HG23 THR 104 HG23 THR 104 9.819 -6.622 -0.773 790 H GLN 105 HN GLN 105 7.149 -7.140 2.194 791 HA GLN 105 HA GLN 105 6.149 -9.619 3.438 792 HB2 GLN 105 HB2 GLN 105 6.806 -7.593 4.934 793 HB3 GLN 105 HB1 GLN 105 5.291 -6.900 4.368 794 HG2 GLN 105 HG2 GLN 105 5.106 -8.066 6.537 795 HG3 GLN 105 HG1 GLN 105 4.042 -8.719 5.292 796 HE21 GLN 105 HE21 GLN 105 6.783 -9.302 7.307 797 HE22 GLN 105 HE22 GLN 105 6.953 -10.985 6.950 798 H ILE 106 HN ILE 106 3.984 -10.146 3.180 799 HA ILE 106 HA ILE 106 2.413 -8.425 1.399 800 HB ILE 106 HB ILE 106 3.219 -9.968 -0.158 801 HG12 ILE 106 HG12 ILE 106 0.570 -11.040 0.840 802 HG13 ILE 106 HG11 ILE 106 0.798 -9.726 -0.307 803 HG21 ILE 106 HG21 ILE 106 2.684 -12.183 1.811 804 HG22 ILE 106 HG22 ILE 106 4.263 -11.519 1.396 805 HG23 ILE 106 HG23 ILE 106 3.322 -12.380 0.179 806 HD11 ILE 106 HD11 ILE 106 0.144 -11.746 -1.443 807 HD12 ILE 106 HD12 ILE 106 1.508 -12.614 -0.741 808 HD13 ILE 106 HD13 ILE 106 1.791 -11.308 -1.891 809 H THR 107 HN THR 107 0.399 -8.141 2.061 810 HA THR 107 HA THR 107 -0.901 -10.191 3.686 811 HB THR 107 HB THR 107 -0.845 -7.281 4.521 812 HG1 THR 107 HG1 THR 107 1.117 -7.985 5.102 813 HG21 THR 107 HG21 THR 107 -2.885 -8.494 5.165 814 HG22 THR 107 HG22 THR 107 -1.902 -8.093 6.572 815 HG23 THR 107 HG23 THR 107 -1.901 -9.738 5.935 816 H LYS 108 HN LYS 108 -2.919 -10.505 3.180 817 HA LYS 108 HA LYS 108 -4.129 -8.884 1.107 818 HB2 LYS 108 HB2 LYS 108 -4.921 -11.448 2.498 819 HB3 LYS 108 HB1 LYS 108 -5.961 -10.647 1.329 820 HG2 LYS 108 HG2 LYS 108 -4.934 -11.919 -0.187 821 HG3 LYS 108 HG1 LYS 108 -3.588 -10.793 -0.021 822 HD2 LYS 108 HD2 LYS 108 -2.675 -12.965 0.207 823 HD3 LYS 108 HD1 LYS 108 -2.736 -12.282 1.833 824 HE2 LYS 108 HE2 LYS 108 -4.723 -13.536 2.344 825 HE3 LYS 108 HE1 LYS 108 -4.842 -14.099 0.678 826 HZ1 LYS 108 HZ1 LYS 108 -3.886 -15.725 2.281 827 HZ2 LYS 108 HZ2 LYS 108 -2.544 -14.714 2.443 828 HZ3 LYS 108 HZ3 LYS 108 -2.904 -15.406 0.941 829 H VAL 109 HN VAL 109 -5.694 -7.337 1.489 830 HA VAL 109 HA VAL 109 -6.887 -7.362 4.164 831 HB VAL 109 HB VAL 109 -5.030 -5.771 4.188 832 HG11 VAL 109 HG11 VAL 109 -4.966 -5.234 1.803 833 HG12 VAL 109 HG12 VAL 109 -5.029 -3.778 2.797 834 HG13 VAL 109 HG13 VAL 109 -6.478 -4.341 1.967 835 HG21 VAL 109 HG21 VAL 109 -7.528 -5.338 5.125 836 HG22 VAL 109 HG22 VAL 109 -7.276 -3.884 4.158 837 HG23 VAL 109 HG23 VAL 109 -6.146 -4.290 5.449
Contact the webmaster for help, if required. Saturday, May 4, 2024 9:21:44 AM GMT (wattos1)