NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27402 | 2rm0 | 11008 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -19.539 -14.972 -1.762 2 H2 GLY 1 2HT GLY 1 -20.657 -15.431 -0.568 3 H3 GLY 1 3HT GLY 1 -20.703 -16.158 -2.101 4 HA2 GLY 1 1HA GLY 1 -19.707 -17.585 -0.377 5 HA3 GLY 1 2HA GLY 1 -18.642 -17.261 -1.739 6 H ALA 2 H ALA 2 -16.685 -17.400 -0.736 7 HA ALA 2 HA ALA 2 -16.094 -16.158 1.741 8 HB1 ALA 2 1HB ALA 2 -14.750 -17.994 0.878 9 HB2 ALA 2 2HB ALA 2 -13.749 -16.567 1.159 10 HB3 ALA 2 3HB ALA 2 -14.236 -16.993 -0.482 11 H THR 3 H THR 3 -15.075 -14.201 2.181 12 HA THR 3 HA THR 3 -15.383 -12.178 0.125 13 HB THR 3 HB THR 3 -14.545 -10.653 2.038 14 HG1 THR 3 1HG THR 3 -14.121 -12.956 3.196 15 HG21 THR 3 3HG2 THR 3 -17.152 -12.155 2.313 16 HG22 THR 3 1HG2 THR 3 -16.872 -10.729 1.311 17 HG23 THR 3 2HG2 THR 3 -16.774 -10.606 3.067 18 H ALA 4 H ALA 4 -13.812 -12.174 -1.334 19 HA ALA 4 HA ALA 4 -11.214 -13.190 -0.867 20 HB1 ALA 4 1HB ALA 4 -10.734 -12.538 -3.145 21 HB2 ALA 4 2HB ALA 4 -12.171 -11.521 -3.183 22 HB3 ALA 4 3HB ALA 4 -12.335 -13.270 -3.055 23 H VAL 5 H VAL 5 -9.244 -12.191 -0.667 24 HA VAL 5 HA VAL 5 -9.277 -9.476 0.322 25 HB VAL 5 HB VAL 5 -6.751 -9.857 0.535 26 HG11 VAL 5 1HG1 VAL 5 -8.311 -10.012 2.417 27 HG12 VAL 5 2HG1 VAL 5 -7.034 -11.220 2.553 28 HG13 VAL 5 3HG1 VAL 5 -8.642 -11.694 2.007 29 HG21 VAL 5 3HG2 VAL 5 -6.514 -11.687 -1.050 30 HG22 VAL 5 1HG2 VAL 5 -7.615 -12.680 -0.095 31 HG23 VAL 5 2HG2 VAL 5 -6.047 -12.220 0.565 32 H SER 6 H SER 6 -9.133 -7.789 -0.902 33 HA SER 6 HA SER 6 -7.370 -7.457 -3.086 34 HG SER 6 HG SER 6 -8.347 -7.857 -5.749 35 HB2 SER 6 2HB SER 6 -9.092 -8.964 -4.119 36 HB3 SER 6 1HB SER 6 -10.300 -7.725 -3.797 37 H GLU 7 H GLU 7 -9.298 -5.693 -4.398 38 HA GLU 7 HA GLU 7 -10.060 -3.545 -4.340 39 HB2 GLU 7 2HB GLU 7 -9.973 -3.822 -1.328 40 HB3 GLU 7 1HB GLU 7 -10.720 -2.498 -2.211 41 HG2 GLU 7 2HG GLU 7 -12.380 -3.952 -3.121 42 HG3 GLU 7 1HG GLU 7 -11.571 -5.371 -2.460 43 H TRP 8 H TRP 8 -8.008 -3.165 -5.273 44 HA TRP 8 HA TRP 8 -6.048 -1.902 -3.446 45 HD1 TRP 8 HD TRP 8 -5.431 -6.009 -5.800 46 HE1 TRP 8 1HE TRP 8 -5.352 -7.683 -3.841 47 HE3 TRP 8 3HE TRP 8 -4.988 -2.689 -2.032 48 HZ2 TRP 8 2HZ TRP 8 -5.171 -7.566 -0.998 49 HZ3 TRP 8 3HZ TRP 8 -4.939 -3.499 0.311 50 HH2 TRP 8 HH TRP 8 -4.989 -5.887 0.810 51 HB2 TRP 8 2HB TRP 8 -5.457 -3.433 -6.015 52 HB3 TRP 8 1HB TRP 8 -4.272 -2.784 -4.889 53 H THR 9 H THR 9 -6.134 0.238 -3.866 54 HA THR 9 HA THR 9 -6.541 1.115 -6.623 55 HB THR 9 HB THR 9 -8.005 2.263 -5.211 56 HG1 THR 9 1HG THR 9 -6.424 4.408 -5.080 57 HG21 THR 9 3HG2 THR 9 -5.720 2.892 -3.389 58 HG22 THR 9 1HG2 THR 9 -7.035 1.765 -3.054 59 HG23 THR 9 2HG2 THR 9 -7.368 3.494 -3.187 60 H GLU 10 H GLU 10 -5.507 3.408 -6.631 61 HA GLU 10 HA GLU 10 -2.577 2.883 -6.575 62 HB2 GLU 10 2HB GLU 10 -4.069 4.789 -8.398 63 HB3 GLU 10 1HB GLU 10 -2.390 4.290 -8.533 64 HG2 GLU 10 2HG GLU 10 -2.961 2.170 -9.320 65 HG3 GLU 10 1HG GLU 10 -4.628 2.313 -8.759 66 H TYR 11 H TYR 11 -1.506 4.087 -5.168 67 HA TYR 11 HA TYR 11 -2.394 6.856 -4.791 68 HD1 TYR 11 2HD TYR 11 -4.531 5.017 -3.318 69 HD2 TYR 11 1HD TYR 11 -2.255 8.106 -1.494 70 HE1 TYR 11 2HE TYR 11 -6.605 6.086 -2.546 71 HE2 TYR 11 1HE TYR 11 -4.313 9.190 -0.737 72 HH TYR 11 HH TYR 11 -6.688 9.259 -1.328 73 HB2 TYR 11 2HB TYR 11 -2.043 4.785 -2.756 74 HB3 TYR 11 1HB TYR 11 -1.152 6.263 -2.405 75 H LYS 12 H LYS 12 -0.961 8.183 -5.510 76 HA LYS 12 HA LYS 12 1.789 7.272 -5.903 77 HB2 LYS 12 2HB LYS 12 0.524 9.810 -6.942 78 HB3 LYS 12 1HB LYS 12 1.995 9.032 -7.510 79 HG2 LYS 12 2HG LYS 12 0.695 7.172 -8.382 80 HG3 LYS 12 1HG LYS 12 -0.789 7.915 -7.779 81 HD2 LYS 12 2HD LYS 12 -0.221 9.920 -9.178 82 HD3 LYS 12 1HD LYS 12 1.060 8.956 -9.908 83 HE2 LYS 12 2HE LYS 12 -0.595 7.329 -10.678 84 HE3 LYS 12 1HE LYS 12 -1.879 8.275 -9.924 85 HZ1 LYS 12 3HZ LYS 12 -1.235 10.136 -11.389 86 HZ2 LYS 12 1HZ LYS 12 -1.806 8.787 -12.240 87 HZ3 LYS 12 2HZ LYS 12 -0.143 9.111 -12.177 88 H THR 13 H THR 13 3.261 7.863 -4.458 89 HA THR 13 HA THR 13 2.791 10.178 -2.766 90 HB THR 13 HB THR 13 4.981 9.402 -1.703 91 HG1 THR 13 1HG THR 13 5.989 7.866 -2.761 92 HG21 THR 13 3HG2 THR 13 2.750 8.961 -0.749 93 HG22 THR 13 1HG2 THR 13 3.870 7.625 -0.456 94 HG23 THR 13 2HG2 THR 13 2.644 7.492 -1.717 95 H ALA 14 H ALA 14 4.769 11.607 -2.362 96 HA ALA 14 HA ALA 14 5.094 13.064 -4.727 97 HB1 ALA 14 1HB ALA 14 6.610 13.376 -2.141 98 HB2 ALA 14 2HB ALA 14 5.038 14.084 -2.514 99 HB3 ALA 14 3HB ALA 14 6.465 14.577 -3.424 100 H ASP 15 H ASP 15 6.999 10.479 -3.522 101 HA ASP 15 HA ASP 15 9.426 11.305 -4.873 102 HB2 ASP 15 2HB ASP 15 10.417 9.299 -3.997 103 HB3 ASP 15 1HB ASP 15 9.458 10.030 -2.714 104 H GLY 16 H GLY 16 6.554 10.026 -5.879 105 HA2 GLY 16 2HA GLY 16 6.037 9.372 -8.067 106 HA3 GLY 16 1HA GLY 16 7.748 9.134 -8.381 107 H LYS 17 H LYS 17 6.039 7.768 -5.653 108 HA LYS 17 HA LYS 17 6.781 5.102 -6.596 109 HB2 LYS 17 2HB LYS 17 7.424 5.968 -4.300 110 HB3 LYS 17 1HB LYS 17 5.715 5.916 -3.892 111 HG2 LYS 17 2HG LYS 17 6.772 3.963 -3.018 112 HG3 LYS 17 1HG LYS 17 5.731 3.478 -4.366 113 HD2 LYS 17 2HD LYS 17 7.892 2.315 -4.448 114 HD3 LYS 17 1HD LYS 17 7.682 3.374 -5.844 115 HE2 LYS 17 2HE LYS 17 9.079 5.067 -4.781 116 HE3 LYS 17 1HE LYS 17 9.271 4.041 -3.363 117 HZ1 LYS 17 3HZ LYS 17 10.532 2.488 -4.603 118 HZ2 LYS 17 1HZ LYS 17 11.162 4.012 -4.970 119 HZ3 LYS 17 2HZ LYS 17 10.153 3.221 -6.081 120 H THR 18 H THR 18 5.276 3.715 -7.335 121 HA THR 18 HA THR 18 2.466 4.391 -7.110 122 HB THR 18 HB THR 18 3.832 2.033 -8.444 123 HG1 THR 18 1HG THR 18 3.066 4.587 -9.285 124 HG21 THR 18 3HG2 THR 18 1.642 1.642 -9.525 125 HG22 THR 18 1HG2 THR 18 0.931 2.879 -8.487 126 HG23 THR 18 2HG2 THR 18 1.589 1.401 -7.780 127 H TYR 19 H TYR 19 1.933 4.130 -4.980 128 HA TYR 19 HA TYR 19 2.368 1.456 -3.851 129 HD1 TYR 19 1HD TYR 19 0.684 1.847 -0.788 130 HD2 TYR 19 2HD TYR 19 1.727 5.742 -2.125 131 HE1 TYR 19 1HE TYR 19 -0.887 2.785 0.838 132 HE2 TYR 19 2HE TYR 19 0.152 6.717 -0.509 133 HH TYR 19 HH TYR 19 -1.190 4.968 2.026 134 HB2 TYR 19 2HB TYR 19 2.919 2.400 -1.915 135 HB3 TYR 19 1HB TYR 19 3.028 3.908 -2.795 136 H TYR 20 H TYR 20 0.585 0.616 -2.514 137 HA TYR 20 HA TYR 20 -1.942 1.159 -3.938 138 HD1 TYR 20 2HD TYR 20 1.109 -1.402 -3.882 139 HD2 TYR 20 1HD TYR 20 -2.783 -1.411 -5.607 140 HE1 TYR 20 2HE TYR 20 2.066 -2.165 -5.987 141 HE2 TYR 20 1HE TYR 20 -1.821 -2.166 -7.751 142 HH TYR 20 HH TYR 20 1.396 -3.290 -8.033 143 HB2 TYR 20 2HB TYR 20 -0.986 -1.344 -2.509 144 HB3 TYR 20 1HB TYR 20 -2.550 -1.163 -3.297 145 H TYR 21 H TYR 21 -3.828 1.306 -2.782 146 HA TYR 21 HA TYR 21 -3.497 1.589 0.119 147 HD1 TYR 21 1HD TYR 21 -3.328 4.280 1.165 148 HD2 TYR 21 2HD TYR 21 -7.286 3.145 0.026 149 HE1 TYR 21 1HE TYR 21 -4.199 5.246 3.244 150 HE2 TYR 21 2HE TYR 21 -8.160 4.121 2.109 151 HH TYR 21 HH TYR 21 -6.287 6.147 4.121 152 HB2 TYR 21 2HB TYR 21 -3.919 3.721 -1.197 153 HB3 TYR 21 1HB TYR 21 -5.508 3.075 -1.574 154 H ASN 22 H ASN 22 -4.184 -0.201 0.851 155 HA ASN 22 HA ASN 22 -6.044 -1.975 -0.215 156 HB2 ASN 22 2HB ASN 22 -4.486 -2.720 1.450 157 HB3 ASN 22 1HB ASN 22 -4.972 -1.473 2.583 158 HD21 ASN 22 1HD2 ASN 22 -5.254 -4.665 1.741 159 HD22 ASN 22 2HD2 ASN 22 -6.618 -5.080 2.713 160 H ASN 23 H ASN 23 -8.109 -1.495 -0.600 161 HA ASN 23 HA ASN 23 -9.617 0.132 1.303 162 HB2 ASN 23 2HB ASN 23 -9.893 0.377 -1.222 163 HB3 ASN 23 1HB ASN 23 -10.641 -1.215 -1.223 164 HD21 ASN 23 1HD2 ASN 23 -12.689 -1.483 -0.313 165 HD22 ASN 23 2HD2 ASN 23 -13.717 -0.129 0.016 166 H ARG 24 H ARG 24 -8.624 -2.976 0.905 167 HA ARG 24 HA ARG 24 -10.817 -4.584 1.256 168 HE ARG 24 HE ARG 24 -10.485 -9.114 1.994 169 HB2 ARG 24 2HB ARG 24 -8.261 -5.170 0.936 170 HB3 ARG 24 1HB ARG 24 -8.325 -5.335 2.684 171 HG2 ARG 24 2HG ARG 24 -10.009 -6.845 0.695 172 HG3 ARG 24 1HG ARG 24 -8.639 -7.481 1.601 173 HD2 ARG 24 2HD ARG 24 -9.843 -7.101 3.690 174 HD3 ARG 24 1HD ARG 24 -11.214 -6.460 2.790 175 HH11 ARG 24 1HH1 ARG 24 -12.339 -7.221 4.272 176 HH12 ARG 24 2HH1 ARG 24 -13.425 -8.521 4.669 177 HH21 ARG 24 1HH2 ARG 24 -11.924 -10.845 2.537 178 HH22 ARG 24 2HH2 ARG 24 -13.160 -10.569 3.725 179 H THR 25 H THR 25 -8.589 -3.512 3.787 180 HA THR 25 HA THR 25 -10.816 -3.408 5.699 181 HB THR 25 HB THR 25 -9.070 -4.177 7.434 182 HG1 THR 25 1HG THR 25 -7.227 -4.090 6.137 183 HG21 THR 25 3HG2 THR 25 -9.562 -6.530 7.050 184 HG22 THR 25 1HG2 THR 25 -10.027 -6.182 5.384 185 HG23 THR 25 2HG2 THR 25 -10.987 -5.548 6.719 186 H LEU 26 H LEU 26 -9.235 -1.449 4.064 187 HA LEU 26 HA LEU 26 -8.297 0.594 4.192 188 HG LEU 26 HG LEU 26 -9.644 2.932 6.673 189 HB2 LEU 26 2HB LEU 26 -10.106 0.651 6.126 190 HB3 LEU 26 1HB LEU 26 -8.687 0.703 7.152 191 HD11 LEU 26 1HD1 LEU 26 -7.293 2.749 7.270 192 HD12 LEU 26 2HD1 LEU 26 -7.536 4.046 6.101 193 HD13 LEU 26 3HD1 LEU 26 -6.866 2.501 5.575 194 HD21 LEU 26 3HD2 LEU 26 -9.369 3.915 4.450 195 HD22 LEU 26 1HD2 LEU 26 -10.447 2.521 4.417 196 HD23 LEU 26 2HD2 LEU 26 -8.787 2.365 3.838 197 H GLU 27 H GLU 27 -6.297 -0.375 3.696 198 HA GLU 27 HA GLU 27 -4.314 -0.102 5.828 199 HB2 GLU 27 2HB GLU 27 -4.819 -2.509 5.771 200 HB3 GLU 27 1HB GLU 27 -4.537 -2.547 4.041 201 HG2 GLU 27 2HG GLU 27 -2.643 -3.466 5.221 202 HG3 GLU 27 1HG GLU 27 -2.193 -1.958 4.400 203 H SER 28 H SER 28 -2.060 -0.009 4.891 204 HA SER 28 HA SER 28 -2.111 1.006 2.146 205 HG SER 28 HG SER 28 -1.875 2.987 2.386 206 HB2 SER 28 2HB SER 28 -1.153 2.019 4.626 207 HB3 SER 28 1HB SER 28 0.238 1.694 3.622 208 H THR 29 H THR 29 -0.479 0.272 0.677 209 HA THR 29 HA THR 29 1.579 -1.553 1.716 210 HB THR 29 HB THR 29 1.285 -3.229 0.053 211 HG1 THR 29 1HG THR 29 0.748 -2.374 -1.820 212 HG21 THR 29 3HG2 THR 29 -0.380 -3.410 1.869 213 HG22 THR 29 1HG2 THR 29 -0.951 -4.082 0.342 214 HG23 THR 29 2HG2 THR 29 -1.521 -2.503 0.876 215 H TRP 30 H TRP 30 3.559 -1.278 0.685 216 HA TRP 30 HA TRP 30 3.831 0.991 -1.025 217 HD1 TRP 30 HD TRP 30 5.753 -0.467 2.408 218 HE1 TRP 30 1HE TRP 30 6.421 1.630 3.697 219 HE3 TRP 30 3HE TRP 30 6.101 2.792 -1.507 220 HZ2 TRP 30 2HZ TRP 30 6.984 4.312 3.157 221 HZ3 TRP 30 3HZ TRP 30 6.682 5.134 -1.013 222 HH2 TRP 30 HH TRP 30 7.093 5.855 1.280 223 HB2 TRP 30 2HB TRP 30 5.781 -1.134 -0.134 224 HB3 TRP 30 1HB TRP 30 6.231 0.114 -1.289 225 H GLU 31 H GLU 31 4.857 -2.360 -1.721 226 HA GLU 31 HA GLU 31 4.173 -1.789 -4.520 227 HB2 GLU 31 2HB GLU 31 5.752 -3.536 -5.109 228 HB3 GLU 31 1HB GLU 31 6.514 -2.350 -4.075 229 HG2 GLU 31 2HG GLU 31 5.355 -4.835 -2.904 230 HG3 GLU 31 1HG GLU 31 6.954 -4.857 -3.651 231 H LYS 32 H LYS 32 4.185 -4.553 -5.325 232 HA LYS 32 HA LYS 32 1.468 -5.051 -5.252 233 HB2 LYS 32 2HB LYS 32 3.788 -6.827 -5.954 234 HB3 LYS 32 1HB LYS 32 2.113 -7.332 -6.128 235 HG2 LYS 32 2HG LYS 32 1.745 -5.412 -7.655 236 HG3 LYS 32 1HG LYS 32 3.472 -5.053 -7.548 237 HD2 LYS 32 2HD LYS 32 4.013 -7.219 -8.460 238 HD3 LYS 32 1HD LYS 32 2.313 -7.674 -8.476 239 HE2 LYS 32 2HE LYS 32 1.872 -5.864 -10.086 240 HE3 LYS 32 1HE LYS 32 3.597 -5.482 -10.102 241 HZ1 LYS 32 3HZ LYS 32 4.052 -7.703 -10.920 242 HZ2 LYS 32 1HZ LYS 32 2.972 -6.908 -11.959 243 HZ3 LYS 32 2HZ LYS 32 2.398 -8.087 -10.883 244 HA PRO 33 HA PRO 33 0.728 -7.239 -1.386 245 HB2 PRO 33 2HB PRO 33 -1.726 -7.747 -3.019 246 HB3 PRO 33 1HB PRO 33 -1.595 -7.206 -1.341 247 HG2 PRO 33 2HG PRO 33 -2.249 -5.462 -3.170 248 HG3 PRO 33 1HG PRO 33 -0.993 -5.020 -1.992 249 HD2 PRO 33 2HD PRO 33 -0.664 -6.001 -4.814 250 HD3 PRO 33 1HD PRO 33 0.114 -4.618 -4.014 251 H GLN 34 H GLN 34 -0.464 -9.462 -1.026 252 HA GLN 34 HA GLN 34 1.168 -11.436 -2.288 253 HB2 GLN 34 2HB GLN 34 -1.201 -11.804 -0.447 254 HB3 GLN 34 1HB GLN 34 -0.007 -13.029 -0.848 255 HG2 GLN 34 2HG GLN 34 1.727 -11.712 0.243 256 HG3 GLN 34 1HG GLN 34 0.544 -10.462 0.627 257 HE21 GLN 34 1HE2 GLN 34 -1.520 -12.559 1.132 258 HE22 GLN 34 2HE2 GLN 34 -1.153 -13.159 2.710 259 H GLU 35 H GLU 35 -2.353 -10.873 -2.286 260 HA GLU 35 HA GLU 35 -2.743 -12.914 -4.271 261 HB2 GLU 35 2HB GLU 35 -4.595 -11.000 -2.888 262 HB3 GLU 35 1HB GLU 35 -5.137 -12.000 -4.233 263 HG2 GLU 35 2HG GLU 35 -4.067 -12.909 -1.579 264 HG3 GLU 35 1HG GLU 35 -5.696 -13.130 -2.222 265 H LEU 36 H LEU 36 -2.233 -9.536 -4.250 266 HA LEU 36 HA LEU 36 -3.125 -9.187 -6.972 267 HG LEU 36 HG LEU 36 -1.048 -6.456 -6.983 268 HB2 LEU 36 2HB LEU 36 -3.477 -7.362 -5.486 269 HB3 LEU 36 1HB LEU 36 -1.810 -7.385 -4.954 270 HD11 LEU 36 1HD1 LEU 36 -2.472 -7.684 -8.549 271 HD12 LEU 36 2HD1 LEU 36 -2.536 -5.951 -8.878 272 HD13 LEU 36 3HD1 LEU 36 -3.866 -6.738 -8.029 273 HD21 LEU 36 3HD2 LEU 36 -1.932 -4.835 -5.439 274 HD22 LEU 36 1HD2 LEU 36 -3.565 -5.067 -6.073 275 HD23 LEU 36 2HD2 LEU 36 -2.318 -4.336 -7.085 276 H LYS 37 H LYS 37 -1.909 -10.131 -8.486 277 HA LYS 37 HA LYS 37 0.990 -10.342 -8.008 278 HB2 LYS 37 2HB LYS 37 -0.717 -12.276 -9.578 279 HB3 LYS 37 1HB LYS 37 0.947 -12.503 -9.050 280 HG2 LYS 37 2HG LYS 37 0.239 -12.577 -6.737 281 HG3 LYS 37 1HG LYS 37 -1.431 -12.265 -7.213 282 HD2 LYS 37 2HD LYS 37 -1.314 -14.385 -8.570 283 HD3 LYS 37 1HD LYS 37 0.242 -14.700 -7.799 284 HE2 LYS 37 2HE LYS 37 -1.453 -15.894 -6.599 285 HE3 LYS 37 1HE LYS 37 -0.881 -14.569 -5.593 286 HZ1 LYS 37 3HZ LYS 37 -3.273 -14.719 -5.484 287 HZ2 LYS 37 1HZ LYS 37 -3.396 -14.619 -7.173 288 HZ3 LYS 37 2HZ LYS 37 -2.843 -13.290 -6.291 289 HA PRO 101 HA PRO 101 -2.510 14.786 -0.743 290 H2 PRO 101 1HT PRO 101 -5.043 13.737 -0.203 291 H3 PRO 101 2HT PRO 101 -4.520 14.654 -1.451 292 HB2 PRO 101 2HB PRO 101 -2.582 14.677 2.095 293 HB3 PRO 101 1HB PRO 101 -2.233 16.091 1.084 294 HG2 PRO 101 2HG PRO 101 -4.779 15.240 2.345 295 HG3 PRO 101 1HG PRO 101 -4.203 16.870 1.958 296 HD2 PRO 101 2HD PRO 101 -6.134 15.731 0.509 297 HD3 PRO 101 1HD PRO 101 -4.885 16.724 -0.268 298 HA PRO 102 HA PRO 102 -2.347 10.404 -0.117 299 HB2 PRO 102 2HB PRO 102 0.293 9.979 -0.433 300 HB3 PRO 102 1HB PRO 102 -0.751 10.444 -1.781 301 HG2 PRO 102 2HG PRO 102 1.132 12.116 -0.169 302 HG3 PRO 102 1HG PRO 102 0.813 12.147 -1.911 303 HD2 PRO 102 2HD PRO 102 -0.272 13.917 -0.096 304 HD3 PRO 102 1HD PRO 102 -0.982 13.539 -1.677 305 HA PRO 103 HA PRO 103 -0.976 9.661 4.101 306 HB2 PRO 103 2HB PRO 103 -1.362 6.836 3.554 307 HB3 PRO 103 1HB PRO 103 -2.340 7.906 4.564 308 HG2 PRO 103 2HG PRO 103 -3.213 6.840 2.205 309 HG3 PRO 103 1HG PRO 103 -3.802 8.381 2.860 310 HD2 PRO 103 2HD PRO 103 -1.751 7.870 0.743 311 HD3 PRO 103 1HD PRO 103 -3.044 9.087 0.794 312 H LEU 104 H LEU 104 0.996 8.997 5.029 313 HA LEU 104 HA LEU 104 2.980 7.834 3.288 314 HG LEU 104 HG LEU 104 4.970 9.780 5.716 315 HB2 LEU 104 2HB LEU 104 2.921 8.518 6.215 316 HB3 LEU 104 1HB LEU 104 4.209 7.519 5.566 317 HD11 LEU 104 1HD1 LEU 104 5.782 8.501 3.831 318 HD12 LEU 104 2HD1 LEU 104 5.627 10.203 3.398 319 HD13 LEU 104 3HD1 LEU 104 4.418 9.041 2.856 320 HD21 LEU 104 3HD2 LEU 104 2.619 10.535 3.993 321 HD22 LEU 104 1HD2 LEU 104 3.924 11.617 4.482 322 HD23 LEU 104 2HD2 LEU 104 2.837 10.941 5.693 323 H ILE 105 H ILE 105 3.760 5.670 3.405 324 HA ILE 105 HA ILE 105 1.782 3.763 4.258 325 HB ILE 105 HB ILE 105 4.597 3.296 3.155 326 HG12 ILE 105 2HG1 ILE 105 3.386 2.536 1.127 327 HG13 ILE 105 1HG1 ILE 105 1.877 3.146 1.822 328 HG21 ILE 105 1HG2 ILE 105 2.301 1.341 3.515 329 HG22 ILE 105 2HG2 ILE 105 3.762 1.391 4.498 330 HG23 ILE 105 3HG2 ILE 105 3.864 0.987 2.785 331 HD11 ILE 105 3HD1 ILE 105 4.017 4.569 0.449 332 HD12 ILE 105 1HD1 ILE 105 3.540 5.329 1.974 333 HD13 ILE 105 2HD1 ILE 105 2.330 5.032 0.722 334 HA PRO 106 HA PRO 106 3.971 2.735 8.138 335 HB2 PRO 106 2HB PRO 106 2.704 0.407 8.691 336 HB3 PRO 106 1HB PRO 106 1.934 1.973 8.960 337 HG2 PRO 106 2HG PRO 106 1.587 0.060 6.690 338 HG3 PRO 106 1HG PRO 106 0.359 0.989 7.565 339 HD2 PRO 106 2HD PRO 106 1.361 1.729 5.141 340 HD3 PRO 106 1HD PRO 106 0.729 2.880 6.335 341 HA PRO 107 HA PRO 107 6.841 -0.131 6.263 342 HB2 PRO 107 2HB PRO 107 8.132 -0.619 8.800 343 HB3 PRO 107 1HB PRO 107 8.691 0.389 7.466 344 HG2 PRO 107 2HG PRO 107 7.900 1.347 9.917 345 HG3 PRO 107 1HG PRO 107 7.899 2.298 8.422 346 HD2 PRO 107 2HD PRO 107 5.625 0.961 9.826 347 HD3 PRO 107 1HD PRO 107 5.658 2.505 8.946 348 HA PRO 108 HA PRO 108 5.403 -4.202 7.529 349 HB2 PRO 108 2HB PRO 108 7.511 -5.342 5.891 350 HB3 PRO 108 1HB PRO 108 5.770 -5.344 5.602 351 HG2 PRO 108 2HG PRO 108 7.531 -3.933 4.078 352 HG3 PRO 108 1HG PRO 108 5.850 -3.434 4.334 353 HD2 PRO 108 2HD PRO 108 8.342 -2.451 5.675 354 HD3 PRO 108 1HD PRO 108 6.945 -1.525 5.084 355 HA PRO 109 HA PRO 109 8.517 -5.319 10.544 356 HB2 PRO 109 2HB PRO 109 7.160 -7.844 10.976 357 HB3 PRO 109 1HB PRO 109 7.193 -6.423 12.018 358 HG2 PRO 109 2HG PRO 109 4.949 -7.280 10.711 359 HG3 PRO 109 1HG PRO 109 5.235 -5.590 11.169 360 HD2 PRO 109 2HD PRO 109 5.599 -6.933 8.517 361 HD3 PRO 109 1HD PRO 109 4.932 -5.327 8.889 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -18.129 -19.654 0.615 2 H2 GLY 1 2HT GLY 1 -19.028 -20.617 1.686 3 H3 GLY 1 3HT GLY 1 -17.430 -21.031 1.316 4 HA2 GLY 1 1HA GLY 1 -18.323 -18.630 2.818 5 HA3 GLY 1 2HA GLY 1 -17.524 -20.041 3.495 6 H ALA 2 H ALA 2 -17.125 -17.123 1.644 7 HA ALA 2 HA ALA 2 -14.223 -17.335 2.063 8 HB1 ALA 2 1HB ALA 2 -13.787 -16.371 -0.126 9 HB2 ALA 2 2HB ALA 2 -15.517 -16.346 -0.474 10 HB3 ALA 2 3HB ALA 2 -14.680 -17.887 -0.280 11 H THR 3 H THR 3 -13.241 -15.048 1.449 12 HA THR 3 HA THR 3 -14.966 -12.992 2.664 13 HB THR 3 HB THR 3 -12.725 -12.019 3.503 14 HG1 THR 3 1HG THR 3 -11.714 -14.562 3.752 15 HG21 THR 3 3HG2 THR 3 -14.449 -12.973 4.980 16 HG22 THR 3 1HG2 THR 3 -12.822 -13.349 5.553 17 HG23 THR 3 2HG2 THR 3 -13.774 -14.583 4.724 18 H ALA 4 H ALA 4 -14.372 -10.769 2.090 19 HA ALA 4 HA ALA 4 -13.778 -10.599 -0.730 20 HB1 ALA 4 1HB ALA 4 -14.490 -8.431 1.244 21 HB2 ALA 4 2HB ALA 4 -15.622 -9.292 0.202 22 HB3 ALA 4 3HB ALA 4 -14.392 -8.245 -0.506 23 H VAL 5 H VAL 5 -11.618 -10.973 -1.029 24 HA VAL 5 HA VAL 5 -9.756 -9.179 0.368 25 HB VAL 5 HB VAL 5 -7.957 -10.771 -0.427 26 HG11 VAL 5 1HG1 VAL 5 -10.101 -11.862 1.393 27 HG12 VAL 5 2HG1 VAL 5 -8.783 -10.786 1.859 28 HG13 VAL 5 3HG1 VAL 5 -8.432 -12.427 1.319 29 HG21 VAL 5 3HG2 VAL 5 -9.199 -11.870 -2.219 30 HG22 VAL 5 1HG2 VAL 5 -10.333 -12.532 -1.040 31 HG23 VAL 5 2HG2 VAL 5 -8.644 -13.045 -1.025 32 H SER 6 H SER 6 -9.952 -7.383 -0.866 33 HA SER 6 HA SER 6 -8.308 -7.033 -3.070 34 HG SER 6 HG SER 6 -9.027 -7.075 -5.656 35 HB2 SER 6 2HB SER 6 -10.071 -8.355 -4.278 36 HB3 SER 6 1HB SER 6 -11.231 -7.092 -3.899 37 H GLU 7 H GLU 7 -10.099 -5.125 -4.347 38 HA GLU 7 HA GLU 7 -10.671 -2.964 -4.276 39 HB2 GLU 7 2HB GLU 7 -10.890 -3.437 -1.301 40 HB3 GLU 7 1HB GLU 7 -11.256 -1.892 -2.066 41 HG2 GLU 7 2HG GLU 7 -12.975 -2.971 -3.426 42 HG3 GLU 7 1HG GLU 7 -12.599 -4.518 -2.672 43 H TRP 8 H TRP 8 -8.776 -2.535 -5.168 44 HA TRP 8 HA TRP 8 -6.674 -1.439 -3.394 45 HD1 TRP 8 HD TRP 8 -6.477 -5.302 -6.085 46 HE1 TRP 8 1HE TRP 8 -6.256 -7.141 -4.305 47 HE3 TRP 8 3HE TRP 8 -5.258 -2.375 -2.133 48 HZ2 TRP 8 2HZ TRP 8 -5.695 -7.318 -1.537 49 HZ3 TRP 8 3HZ TRP 8 -5.034 -3.437 0.111 50 HH2 TRP 8 HH TRP 8 -5.156 -5.850 0.368 51 HB2 TRP 8 2HB TRP 8 -6.255 -2.732 -6.112 52 HB3 TRP 8 1HB TRP 8 -5.008 -2.197 -4.992 53 H THR 9 H THR 9 -6.043 0.593 -3.821 54 HA THR 9 HA THR 9 -6.780 1.722 -6.422 55 HB THR 9 HB THR 9 -8.109 2.918 -4.973 56 HG1 THR 9 1HG THR 9 -7.571 4.885 -5.394 57 HG21 THR 9 3HG2 THR 9 -5.804 3.141 -3.069 58 HG22 THR 9 1HG2 THR 9 -7.261 2.174 -2.844 59 HG23 THR 9 2HG2 THR 9 -7.367 3.934 -2.841 60 H GLU 10 H GLU 10 -5.597 3.886 -6.485 61 HA GLU 10 HA GLU 10 -2.698 3.200 -6.416 62 HB2 GLU 10 2HB GLU 10 -4.076 5.080 -8.336 63 HB3 GLU 10 1HB GLU 10 -2.395 4.590 -8.372 64 HG2 GLU 10 2HG GLU 10 -3.003 2.350 -8.972 65 HG3 GLU 10 1HG GLU 10 -4.717 2.734 -8.803 66 H TYR 11 H TYR 11 -1.647 4.387 -4.972 67 HA TYR 11 HA TYR 11 -2.452 7.197 -4.710 68 HD1 TYR 11 1HD TYR 11 -4.423 5.002 -2.957 69 HD2 TYR 11 2HD TYR 11 -2.579 8.617 -1.687 70 HE1 TYR 11 1HE TYR 11 -6.608 5.853 -2.225 71 HE2 TYR 11 2HE TYR 11 -4.758 9.474 -0.936 72 HH TYR 11 HH TYR 11 -7.185 9.067 -1.525 73 HB2 TYR 11 2HB TYR 11 -1.937 5.191 -2.591 74 HB3 TYR 11 1HB TYR 11 -1.234 6.787 -2.328 75 H LYS 12 H LYS 12 -1.032 7.808 -6.251 76 HA LYS 12 HA LYS 12 1.778 7.230 -6.021 77 HB2 LYS 12 2HB LYS 12 0.394 9.270 -7.782 78 HB3 LYS 12 1HB LYS 12 2.022 8.638 -7.988 79 HG2 LYS 12 2HG LYS 12 1.058 6.389 -8.369 80 HG3 LYS 12 1HG LYS 12 -0.551 7.102 -8.276 81 HD2 LYS 12 2HD LYS 12 -0.006 8.548 -10.191 82 HD3 LYS 12 1HD LYS 12 1.582 7.786 -10.301 83 HE2 LYS 12 2HE LYS 12 0.227 6.722 -11.925 84 HE3 LYS 12 1HE LYS 12 0.360 5.584 -10.586 85 HZ1 LYS 12 3HZ LYS 12 -1.888 5.534 -11.067 86 HZ2 LYS 12 1HZ LYS 12 -1.956 7.197 -11.425 87 HZ3 LYS 12 2HZ LYS 12 -1.830 6.684 -9.821 88 H THR 13 H THR 13 2.882 8.142 -4.408 89 HA THR 13 HA THR 13 1.829 10.405 -3.020 90 HB THR 13 HB THR 13 3.845 10.206 -1.598 91 HG1 THR 13 1HG THR 13 5.472 8.927 -2.139 92 HG21 THR 13 3HG2 THR 13 3.331 8.005 -0.674 93 HG22 THR 13 1HG2 THR 13 2.464 7.579 -2.149 94 HG23 THR 13 2HG2 THR 13 1.855 8.866 -1.107 95 H ALA 14 H ALA 14 3.442 12.179 -2.326 96 HA ALA 14 HA ALA 14 4.146 13.687 -4.626 97 HB1 ALA 14 1HB ALA 14 5.034 15.326 -3.023 98 HB2 ALA 14 2HB ALA 14 4.848 14.144 -1.726 99 HB3 ALA 14 3HB ALA 14 3.425 14.765 -2.563 100 H ASP 15 H ASP 15 5.746 11.336 -2.742 101 HA ASP 15 HA ASP 15 8.457 12.034 -3.269 102 HB2 ASP 15 2HB ASP 15 7.426 9.224 -2.827 103 HB3 ASP 15 1HB ASP 15 9.007 9.876 -2.412 104 H GLY 16 H GLY 16 5.939 10.619 -5.099 105 HA2 GLY 16 2HA GLY 16 5.987 10.150 -7.399 106 HA3 GLY 16 1HA GLY 16 7.746 10.114 -7.333 107 H LYS 17 H LYS 17 5.691 8.381 -5.093 108 HA LYS 17 HA LYS 17 6.871 5.885 -6.104 109 HB2 LYS 17 2HB LYS 17 7.217 6.786 -3.665 110 HB3 LYS 17 1HB LYS 17 5.599 6.159 -3.402 111 HG2 LYS 17 2HG LYS 17 7.110 4.487 -2.693 112 HG3 LYS 17 1HG LYS 17 6.439 3.938 -4.231 113 HD2 LYS 17 2HD LYS 17 8.420 4.653 -5.404 114 HD3 LYS 17 1HD LYS 17 9.081 5.359 -3.930 115 HE2 LYS 17 2HE LYS 17 9.110 3.094 -2.913 116 HE3 LYS 17 1HE LYS 17 8.565 2.436 -4.457 117 HZ1 LYS 17 3HZ LYS 17 10.581 3.281 -5.494 118 HZ2 LYS 17 1HZ LYS 17 10.963 2.244 -4.206 119 HZ3 LYS 17 2HZ LYS 17 11.103 3.928 -4.026 120 H THR 18 H THR 18 5.537 4.355 -6.935 121 HA THR 18 HA THR 18 2.662 4.737 -6.826 122 HB THR 18 HB THR 18 4.315 2.584 -8.156 123 HG1 THR 18 1HG THR 18 4.596 4.591 -9.145 124 HG21 THR 18 3HG2 THR 18 2.242 2.075 -9.415 125 HG22 THR 18 1HG2 THR 18 1.357 3.177 -8.364 126 HG23 THR 18 2HG2 THR 18 2.097 1.718 -7.694 127 H TYR 19 H TYR 19 1.973 4.288 -4.764 128 HA TYR 19 HA TYR 19 2.421 1.521 -3.866 129 HD1 TYR 19 1HD TYR 19 0.554 1.909 -0.704 130 HD2 TYR 19 2HD TYR 19 1.990 5.678 -2.036 131 HE1 TYR 19 1HE TYR 19 -1.016 3.008 0.813 132 HE2 TYR 19 2HE TYR 19 0.423 6.806 -0.515 133 HH TYR 19 HH TYR 19 -1.182 5.235 1.973 134 HB2 TYR 19 2HB TYR 19 2.804 2.191 -1.759 135 HB3 TYR 19 1HB TYR 19 3.217 3.714 -2.519 136 H TYR 20 H TYR 20 0.582 0.651 -2.565 137 HA TYR 20 HA TYR 20 -1.945 1.389 -3.888 138 HD1 TYR 20 1HD TYR 20 1.002 -1.145 -4.059 139 HD2 TYR 20 2HD TYR 20 -2.946 -1.207 -5.660 140 HE1 TYR 20 1HE TYR 20 1.902 -1.875 -6.194 141 HE2 TYR 20 2HE TYR 20 -2.049 -1.933 -7.836 142 HH TYR 20 HH TYR 20 1.200 -2.991 -8.221 143 HB2 TYR 20 2HB TYR 20 -1.135 -1.239 -2.622 144 HB3 TYR 20 1HB TYR 20 -2.673 -0.903 -3.411 145 H TYR 21 H TYR 21 -3.777 1.672 -2.660 146 HA TYR 21 HA TYR 21 -3.352 1.576 0.245 147 HD1 TYR 21 1HD TYR 21 -7.058 2.953 0.588 148 HD2 TYR 21 2HD TYR 21 -3.133 4.301 1.588 149 HE1 TYR 21 1HE TYR 21 -7.845 3.574 2.832 150 HE2 TYR 21 2HE TYR 21 -3.919 4.920 3.834 151 HH TYR 21 HH TYR 21 -6.001 5.485 4.968 152 HB2 TYR 21 2HB TYR 21 -3.719 3.897 -0.711 153 HB3 TYR 21 1HB TYR 21 -5.336 3.369 -1.166 154 H ASN 22 H ASN 22 -4.621 0.368 1.341 155 HA ASN 22 HA ASN 22 -6.337 -1.398 -0.190 156 HB2 ASN 22 2HB ASN 22 -4.595 -2.381 1.192 157 HB3 ASN 22 1HB ASN 22 -5.224 -1.558 2.619 158 HD21 ASN 22 1HD2 ASN 22 -7.117 -2.965 0.071 159 HD22 ASN 22 2HD2 ASN 22 -7.790 -4.250 1.008 160 H ASN 23 H ASN 23 -8.454 -1.030 -0.217 161 HA ASN 23 HA ASN 23 -9.702 0.288 2.050 162 HB2 ASN 23 2HB ASN 23 -10.843 -0.698 -0.579 163 HB3 ASN 23 1HB ASN 23 -11.802 0.077 0.675 164 HD21 ASN 23 1HD2 ASN 23 -11.534 2.280 1.063 165 HD22 ASN 23 2HD2 ASN 23 -10.753 3.322 -0.070 166 H ARG 24 H ARG 24 -8.643 -2.724 1.512 167 HA ARG 24 HA ARG 24 -10.767 -4.410 1.935 168 HE ARG 24 HE ARG 24 -8.654 -8.483 4.536 169 HB2 ARG 24 2HB ARG 24 -8.798 -5.439 1.225 170 HB3 ARG 24 1HB ARG 24 -7.899 -4.814 2.598 171 HG2 ARG 24 2HG ARG 24 -9.176 -6.273 4.090 172 HG3 ARG 24 1HG ARG 24 -10.065 -6.902 2.701 173 HD2 ARG 24 2HD ARG 24 -8.143 -7.920 1.800 174 HD3 ARG 24 1HD ARG 24 -7.069 -7.010 2.861 175 HH11 ARG 24 1HH1 ARG 24 -6.533 -9.276 1.845 176 HH12 ARG 24 2HH1 ARG 24 -6.010 -10.765 2.565 177 HH21 ARG 24 1HH2 ARG 24 -7.929 -10.428 5.469 178 HH22 ARG 24 2HH2 ARG 24 -6.782 -11.419 4.609 179 H THR 25 H THR 25 -8.292 -3.691 4.334 180 HA THR 25 HA THR 25 -10.362 -3.503 6.429 181 HB THR 25 HB THR 25 -8.544 -4.390 7.975 182 HG1 THR 25 1HG THR 25 -6.654 -4.592 7.052 183 HG21 THR 25 3HG2 THR 25 -8.888 -6.752 7.348 184 HG22 THR 25 1HG2 THR 25 -9.534 -6.229 5.791 185 HG23 THR 25 2HG2 THR 25 -10.389 -5.828 7.281 186 H LEU 26 H LEU 26 -8.960 -1.538 4.687 187 HA LEU 26 HA LEU 26 -7.928 0.452 4.720 188 HG LEU 26 HG LEU 26 -10.074 2.234 7.126 189 HB2 LEU 26 2HB LEU 26 -8.792 0.233 7.576 190 HB3 LEU 26 1HB LEU 26 -7.717 1.535 7.106 191 HD11 LEU 26 1HD1 LEU 26 -8.473 3.328 5.631 192 HD12 LEU 26 2HD1 LEU 26 -10.101 3.305 4.953 193 HD13 LEU 26 3HD1 LEU 26 -8.886 2.174 4.357 194 HD21 LEU 26 3HD2 LEU 26 -10.405 0.203 4.923 195 HD22 LEU 26 1HD2 LEU 26 -11.607 1.404 5.403 196 HD23 LEU 26 2HD2 LEU 26 -11.131 0.132 6.529 197 H GLU 27 H GLU 27 -6.136 -0.721 4.036 198 HA GLU 27 HA GLU 27 -3.885 -0.710 5.934 199 HB2 GLU 27 2HB GLU 27 -4.365 -3.030 5.610 200 HB3 GLU 27 1HB GLU 27 -4.627 -2.805 3.886 201 HG2 GLU 27 2HG GLU 27 -2.558 -3.888 4.082 202 HG3 GLU 27 1HG GLU 27 -2.185 -2.197 3.702 203 H SER 28 H SER 28 -1.801 -0.297 4.914 204 HA SER 28 HA SER 28 -2.058 0.867 2.218 205 HG SER 28 HG SER 28 -1.893 3.005 2.697 206 HB2 SER 28 2HB SER 28 -1.078 1.928 4.641 207 HB3 SER 28 1HB SER 28 0.353 1.587 3.682 208 H THR 29 H THR 29 -0.359 0.322 0.684 209 HA THR 29 HA THR 29 1.592 -1.685 1.561 210 HB THR 29 HB THR 29 1.147 -3.259 -0.154 211 HG1 THR 29 1HG THR 29 0.628 -2.346 -2.001 212 HG21 THR 29 3HG2 THR 29 -1.240 -3.873 0.044 213 HG22 THR 29 1HG2 THR 29 -1.541 -2.338 0.857 214 HG23 THR 29 2HG2 THR 29 -0.482 -3.535 1.601 215 H TRP 30 H TRP 30 3.575 -1.267 0.669 216 HA TRP 30 HA TRP 30 3.899 0.997 -1.049 217 HD1 TRP 30 HD TRP 30 5.527 -0.638 2.449 218 HE1 TRP 30 1HE TRP 30 6.162 1.350 3.906 219 HE3 TRP 30 3HE TRP 30 6.430 2.785 -1.229 220 HZ2 TRP 30 2HZ TRP 30 6.919 4.020 3.573 221 HZ3 TRP 30 3HZ TRP 30 7.098 5.058 -0.557 222 HH2 TRP 30 HH TRP 30 7.317 5.645 1.811 223 HB2 TRP 30 2HB TRP 30 5.829 -1.160 -0.140 224 HB3 TRP 30 1HB TRP 30 6.311 0.168 -1.185 225 H GLU 31 H GLU 31 4.336 -2.501 -1.559 226 HA GLU 31 HA GLU 31 4.276 -1.982 -4.445 227 HB2 GLU 31 2HB GLU 31 5.283 -4.133 -4.741 228 HB3 GLU 31 1HB GLU 31 6.220 -3.229 -3.561 229 HG2 GLU 31 2HG GLU 31 5.153 -4.457 -1.759 230 HG3 GLU 31 1HG GLU 31 4.170 -5.336 -2.935 231 H LYS 32 H LYS 32 3.528 -4.524 -5.323 232 HA LYS 32 HA LYS 32 0.685 -4.185 -5.143 233 HB2 LYS 32 2HB LYS 32 1.939 -4.717 -7.263 234 HB3 LYS 32 1HB LYS 32 2.215 -6.329 -6.620 235 HG2 LYS 32 2HG LYS 32 -0.272 -6.584 -6.449 236 HG3 LYS 32 1HG LYS 32 -0.418 -5.061 -7.326 237 HD2 LYS 32 2HD LYS 32 -0.641 -6.845 -8.901 238 HD3 LYS 32 1HD LYS 32 0.930 -6.085 -9.163 239 HE2 LYS 32 2HE LYS 32 2.051 -7.852 -7.997 240 HE3 LYS 32 1HE LYS 32 0.512 -8.563 -7.506 241 HZ1 LYS 32 3HZ LYS 32 1.507 -9.744 -9.367 242 HZ2 LYS 32 1HZ LYS 32 1.482 -8.335 -10.304 243 HZ3 LYS 32 2HZ LYS 32 0.024 -9.057 -9.816 244 HA PRO 33 HA PRO 33 -0.221 -7.428 -2.143 245 HB2 PRO 33 2HB PRO 33 -2.734 -7.428 -3.766 246 HB3 PRO 33 1HB PRO 33 -2.541 -7.321 -2.010 247 HG2 PRO 33 2HG PRO 33 -3.185 -5.161 -3.342 248 HG3 PRO 33 1HG PRO 33 -1.915 -5.064 -2.105 249 HD2 PRO 33 2HD PRO 33 -1.621 -5.252 -5.088 250 HD3 PRO 33 1HD PRO 33 -0.794 -4.170 -3.945 251 H GLN 34 H GLN 34 -0.762 -9.716 -2.208 252 HA GLN 34 HA GLN 34 -0.081 -10.954 -4.776 253 HB2 GLN 34 2HB GLN 34 -0.056 -11.936 -1.938 254 HB3 GLN 34 1HB GLN 34 0.001 -13.067 -3.284 255 HG2 GLN 34 2HG GLN 34 2.040 -12.065 -4.090 256 HG3 GLN 34 1HG GLN 34 1.954 -10.819 -2.847 257 HE21 GLN 34 1HE2 GLN 34 2.531 -11.301 -0.768 258 HE22 GLN 34 2HE2 GLN 34 3.331 -12.769 -0.322 259 H GLU 35 H GLU 35 -2.737 -10.443 -2.663 260 HA GLU 35 HA GLU 35 -4.459 -12.349 -3.971 261 HB2 GLU 35 2HB GLU 35 -6.261 -11.102 -2.746 262 HB3 GLU 35 1HB GLU 35 -4.995 -11.743 -1.711 263 HG2 GLU 35 2HG GLU 35 -3.971 -9.333 -2.083 264 HG3 GLU 35 1HG GLU 35 -5.660 -8.931 -2.369 265 H LEU 36 H LEU 36 -3.082 -9.434 -4.726 266 HA LEU 36 HA LEU 36 -5.105 -8.737 -6.720 267 HG LEU 36 HG LEU 36 -2.787 -6.569 -7.888 268 HB2 LEU 36 2HB LEU 36 -4.429 -6.874 -5.386 269 HB3 LEU 36 1HB LEU 36 -2.735 -7.263 -5.578 270 HD11 LEU 36 1HD1 LEU 36 -5.715 -5.981 -7.449 271 HD12 LEU 36 2HD1 LEU 36 -5.056 -7.260 -8.466 272 HD13 LEU 36 3HD1 LEU 36 -4.787 -5.571 -8.892 273 HD21 LEU 36 3HD2 LEU 36 -4.058 -4.576 -6.009 274 HD22 LEU 36 1HD2 LEU 36 -3.322 -4.173 -7.565 275 HD23 LEU 36 2HD2 LEU 36 -2.335 -4.856 -6.275 276 H LYS 37 H LYS 37 -4.813 -9.630 -8.649 277 HA LYS 37 HA LYS 37 -2.308 -10.945 -9.255 278 HB2 LYS 37 2HB LYS 37 -4.786 -10.816 -10.977 279 HB3 LYS 37 1HB LYS 37 -3.491 -12.008 -11.049 280 HG2 LYS 37 2HG LYS 37 -5.436 -11.647 -8.776 281 HG3 LYS 37 1HG LYS 37 -5.487 -12.921 -9.994 282 HD2 LYS 37 2HD LYS 37 -3.527 -13.930 -9.179 283 HD3 LYS 37 1HD LYS 37 -3.083 -12.503 -8.241 284 HE2 LYS 37 2HE LYS 37 -3.933 -14.335 -6.830 285 HE3 LYS 37 1HE LYS 37 -4.920 -12.880 -6.720 286 HZ1 LYS 37 3HZ LYS 37 -6.509 -13.886 -8.239 287 HZ2 LYS 37 1HZ LYS 37 -6.281 -14.864 -6.871 288 HZ3 LYS 37 2HZ LYS 37 -5.557 -15.281 -8.346 289 HA PRO 101 HA PRO 101 -0.969 15.756 -0.232 290 H2 PRO 101 1HT PRO 101 -3.563 15.473 0.731 291 H3 PRO 101 2HT PRO 101 -2.975 16.412 -0.470 292 HB2 PRO 101 2HB PRO 101 -0.530 15.161 2.496 293 HB3 PRO 101 1HB PRO 101 0.047 16.577 1.607 294 HG2 PRO 101 2HG PRO 101 -2.355 16.275 3.319 295 HG3 PRO 101 1HG PRO 101 -1.343 17.702 3.039 296 HD2 PRO 101 2HD PRO 101 -3.764 17.515 1.936 297 HD3 PRO 101 1HD PRO 101 -2.411 18.216 1.026 298 HA PRO 102 HA PRO 102 -1.923 11.404 -0.026 299 HB2 PRO 102 2HB PRO 102 0.483 10.365 -0.614 300 HB3 PRO 102 1HB PRO 102 -0.473 11.228 -1.825 301 HG2 PRO 102 2HG PRO 102 1.840 12.197 -0.191 302 HG3 PRO 102 1HG PRO 102 1.500 12.466 -1.910 303 HD2 PRO 102 2HD PRO 102 0.973 14.296 0.055 304 HD3 PRO 102 1HD PRO 102 0.079 14.212 -1.476 305 HA PRO 103 HA PRO 103 -0.615 10.140 4.053 306 HB2 PRO 103 2HB PRO 103 -1.531 7.452 3.475 307 HB3 PRO 103 1HB PRO 103 -2.275 8.671 4.512 308 HG2 PRO 103 2HG PRO 103 -3.367 7.824 2.161 309 HG3 PRO 103 1HG PRO 103 -3.636 9.439 2.837 310 HD2 PRO 103 2HD PRO 103 -1.749 8.588 0.669 311 HD3 PRO 103 1HD PRO 103 -2.786 10.030 0.762 312 H LEU 104 H LEU 104 1.106 9.061 4.998 313 HA LEU 104 HA LEU 104 3.019 7.796 3.264 314 HG LEU 104 HG LEU 104 2.568 6.934 6.845 315 HB2 LEU 104 2HB LEU 104 4.429 7.578 5.188 316 HB3 LEU 104 1HB LEU 104 3.719 9.179 5.203 317 HD11 LEU 104 1HD1 LEU 104 3.890 7.756 8.728 318 HD12 LEU 104 2HD1 LEU 104 4.728 8.875 7.654 319 HD13 LEU 104 3HD1 LEU 104 4.918 7.135 7.441 320 HD21 LEU 104 3HD2 LEU 104 1.687 8.753 8.198 321 HD22 LEU 104 1HD2 LEU 104 1.183 8.935 6.517 322 HD23 LEU 104 2HD2 LEU 104 2.485 9.934 7.160 323 H ILE 105 H ILE 105 3.594 5.610 3.247 324 HA ILE 105 HA ILE 105 1.641 3.705 4.184 325 HB ILE 105 HB ILE 105 4.458 3.153 3.175 326 HG12 ILE 105 2HG1 ILE 105 3.353 2.469 1.050 327 HG13 ILE 105 1HG1 ILE 105 1.868 3.242 1.617 328 HG21 ILE 105 1HG2 ILE 105 2.013 1.378 3.385 329 HG22 ILE 105 2HG2 ILE 105 3.459 1.293 4.389 330 HG23 ILE 105 3HG2 ILE 105 3.557 0.908 2.672 331 HD11 ILE 105 3HD1 ILE 105 4.066 5.076 1.813 332 HD12 ILE 105 1HD1 ILE 105 2.562 5.221 0.902 333 HD13 ILE 105 2HD1 ILE 105 3.962 4.413 0.184 334 HA PRO 106 HA PRO 106 4.012 2.859 8.002 335 HB2 PRO 106 2HB PRO 106 2.866 0.525 8.709 336 HB3 PRO 106 1HB PRO 106 2.036 2.070 8.939 337 HG2 PRO 106 2HG PRO 106 1.714 0.056 6.736 338 HG3 PRO 106 1HG PRO 106 0.459 0.920 7.639 339 HD2 PRO 106 2HD PRO 106 1.283 1.688 5.176 340 HD3 PRO 106 1HD PRO 106 0.694 2.833 6.395 341 HA PRO 107 HA PRO 107 6.851 -0.158 6.228 342 HB2 PRO 107 2HB PRO 107 8.529 -0.421 8.343 343 HB3 PRO 107 1HB PRO 107 8.518 1.032 7.335 344 HG2 PRO 107 2HG PRO 107 7.288 0.576 10.023 345 HG3 PRO 107 1HG PRO 107 8.128 2.009 9.402 346 HD2 PRO 107 2HD PRO 107 5.392 1.749 9.536 347 HD3 PRO 107 1HD PRO 107 6.240 2.831 8.416 348 HA PRO 108 HA PRO 108 5.283 -3.953 7.975 349 HB2 PRO 108 2HB PRO 108 6.890 -5.722 6.729 350 HB3 PRO 108 1HB PRO 108 5.640 -4.828 5.859 351 HG2 PRO 108 2HG PRO 108 8.583 -4.325 5.992 352 HG3 PRO 108 1HG PRO 108 7.495 -4.224 4.596 353 HD2 PRO 108 2HD PRO 108 8.349 -2.049 6.043 354 HD3 PRO 108 1HD PRO 108 6.835 -2.093 5.121 355 HA PRO 109 HA PRO 109 7.923 -4.622 11.411 356 HB2 PRO 109 2HB PRO 109 6.593 -7.095 12.082 357 HB3 PRO 109 1HB PRO 109 6.374 -5.500 12.805 358 HG2 PRO 109 2HG PRO 109 4.476 -6.788 11.302 359 HG3 PRO 109 1HG PRO 109 4.557 -5.030 11.510 360 HD2 PRO 109 2HD PRO 109 5.469 -6.714 9.211 361 HD3 PRO 109 1HD PRO 109 4.696 -5.114 9.201 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -15.497 -13.218 8.220 2 H2 GLY 1 2HT GLY 1 -14.083 -12.724 9.009 3 H3 GLY 1 3HT GLY 1 -14.805 -14.204 9.406 4 HA2 GLY 1 1HA GLY 1 -12.901 -14.640 8.058 5 HA3 GLY 1 2HA GLY 1 -14.362 -15.033 7.165 6 H ALA 2 H ALA 2 -15.245 -13.174 5.836 7 HA ALA 2 HA ALA 2 -15.044 -11.712 4.116 8 HB1 ALA 2 1HB ALA 2 -13.207 -10.102 4.027 9 HB2 ALA 2 2HB ALA 2 -12.362 -10.987 5.298 10 HB3 ALA 2 3HB ALA 2 -13.899 -10.196 5.646 11 H THR 3 H THR 3 -15.075 -13.169 2.513 12 HA THR 3 HA THR 3 -12.715 -14.708 1.835 13 HB THR 3 HB THR 3 -14.243 -15.701 0.089 14 HG1 THR 3 1HG THR 3 -15.959 -14.524 -0.299 15 HG21 THR 3 3HG2 THR 3 -13.939 -16.763 2.268 16 HG22 THR 3 1HG2 THR 3 -15.600 -16.943 1.708 17 HG23 THR 3 2HG2 THR 3 -15.213 -15.753 2.947 18 H ALA 4 H ALA 4 -12.846 -11.746 1.343 19 HA ALA 4 HA ALA 4 -12.150 -11.843 -1.508 20 HB1 ALA 4 1HB ALA 4 -13.221 -9.702 -1.906 21 HB2 ALA 4 2HB ALA 4 -13.759 -9.639 -0.229 22 HB3 ALA 4 3HB ALA 4 -14.395 -10.876 -1.313 23 H VAL 5 H VAL 5 -9.992 -11.630 -1.350 24 HA VAL 5 HA VAL 5 -8.910 -9.379 0.191 25 HB VAL 5 HB VAL 5 -7.428 -11.588 -1.258 26 HG11 VAL 5 1HG1 VAL 5 -6.093 -9.556 -1.105 27 HG12 VAL 5 2HG1 VAL 5 -5.465 -10.785 -0.006 28 HG13 VAL 5 3HG1 VAL 5 -6.423 -9.449 0.628 29 HG21 VAL 5 3HG2 VAL 5 -6.941 -12.452 0.996 30 HG22 VAL 5 1HG2 VAL 5 -8.665 -12.475 0.619 31 HG23 VAL 5 2HG2 VAL 5 -8.009 -11.225 1.673 32 H SER 6 H SER 6 -9.535 -7.674 -1.123 33 HA SER 6 HA SER 6 -7.999 -7.067 -3.395 34 HG SER 6 HG SER 6 -11.723 -6.974 -4.058 35 HB2 SER 6 2HB SER 6 -9.812 -7.164 -5.023 36 HB3 SER 6 1HB SER 6 -9.571 -8.726 -4.333 37 H GLU 7 H GLU 7 -10.034 -5.293 -4.500 38 HA GLU 7 HA GLU 7 -10.739 -3.185 -4.317 39 HB2 GLU 7 2HB GLU 7 -10.625 -3.570 -1.315 40 HB3 GLU 7 1HB GLU 7 -11.369 -2.215 -2.152 41 HG2 GLU 7 2HG GLU 7 -12.255 -5.086 -2.148 42 HG3 GLU 7 1HG GLU 7 -13.107 -3.687 -1.492 43 H TRP 8 H TRP 8 -8.756 -2.838 -5.299 44 HA TRP 8 HA TRP 8 -6.662 -1.674 -3.552 45 HD1 TRP 8 HD TRP 8 -6.383 -5.661 -6.078 46 HE1 TRP 8 1HE TRP 8 -6.111 -7.415 -4.200 47 HE3 TRP 8 3HE TRP 8 -5.279 -2.499 -2.295 48 HZ2 TRP 8 2HZ TRP 8 -5.545 -7.396 -1.407 49 HZ3 TRP 8 3HZ TRP 8 -4.984 -3.405 -0.027 50 HH2 TRP 8 HH TRP 8 -5.065 -5.783 0.425 51 HB2 TRP 8 2HB TRP 8 -6.293 -3.095 -6.219 52 HB3 TRP 8 1HB TRP 8 -5.013 -2.480 -5.179 53 H THR 9 H THR 9 -6.313 0.443 -3.976 54 HA THR 9 HA THR 9 -6.842 1.385 -6.713 55 HB THR 9 HB THR 9 -8.265 2.537 -5.169 56 HG1 THR 9 1HG THR 9 -8.012 4.170 -6.394 57 HG21 THR 9 3HG2 THR 9 -7.398 3.973 -3.358 58 HG22 THR 9 1HG2 THR 9 -5.784 3.325 -3.692 59 HG23 THR 9 2HG2 THR 9 -7.060 2.260 -3.097 60 H GLU 10 H GLU 10 -5.742 3.664 -6.592 61 HA GLU 10 HA GLU 10 -2.830 3.050 -6.454 62 HB2 GLU 10 2HB GLU 10 -4.242 4.885 -8.377 63 HB3 GLU 10 1HB GLU 10 -2.509 4.633 -8.308 64 HG2 GLU 10 2HG GLU 10 -2.913 2.238 -8.872 65 HG3 GLU 10 1HG GLU 10 -4.611 2.634 -9.098 66 H TYR 11 H TYR 11 -1.773 4.214 -5.023 67 HA TYR 11 HA TYR 11 -2.649 6.975 -4.568 68 HD1 TYR 11 1HD TYR 11 -4.844 5.142 -3.245 69 HD2 TYR 11 2HD TYR 11 -2.562 8.086 -1.194 70 HE1 TYR 11 1HE TYR 11 -6.924 6.207 -2.468 71 HE2 TYR 11 2HE TYR 11 -4.632 9.152 -0.414 72 HH TYR 11 HH TYR 11 -6.907 9.300 -0.877 73 HB2 TYR 11 2HB TYR 11 -2.345 4.835 -2.599 74 HB3 TYR 11 1HB TYR 11 -1.456 6.300 -2.181 75 H LYS 12 H LYS 12 -1.219 8.172 -5.484 76 HA LYS 12 HA LYS 12 1.608 7.415 -5.419 77 HB2 LYS 12 2HB LYS 12 0.025 9.277 -7.198 78 HB3 LYS 12 1HB LYS 12 1.780 9.294 -7.167 79 HG2 LYS 12 2HG LYS 12 0.941 7.984 -9.039 80 HG3 LYS 12 1HG LYS 12 1.828 6.964 -7.908 81 HD2 LYS 12 2HD LYS 12 -0.305 6.215 -6.940 82 HD3 LYS 12 1HD LYS 12 -1.172 7.213 -8.103 83 HE2 LYS 12 2HE LYS 12 0.786 5.179 -9.069 84 HE3 LYS 12 1HE LYS 12 -0.811 4.664 -8.542 85 HZ1 LYS 12 3HZ LYS 12 -0.979 5.013 -10.839 86 HZ2 LYS 12 1HZ LYS 12 -0.142 6.494 -10.787 87 HZ3 LYS 12 2HZ LYS 12 -1.705 6.378 -10.149 88 H THR 13 H THR 13 2.845 8.345 -3.988 89 HA THR 13 HA THR 13 1.851 10.423 -2.311 90 HB THR 13 HB THR 13 4.170 10.251 -1.287 91 HG1 THR 13 1HG THR 13 5.610 9.127 -2.344 92 HG21 THR 13 3HG2 THR 13 3.713 8.055 -0.267 93 HG22 THR 13 1HG2 THR 13 2.516 7.733 -1.521 94 HG23 THR 13 2HG2 THR 13 2.257 9.046 -0.374 95 H ALA 14 H ALA 14 3.375 12.293 -1.734 96 HA ALA 14 HA ALA 14 3.389 13.998 -3.982 97 HB1 ALA 14 1HB ALA 14 4.588 14.450 -1.259 98 HB2 ALA 14 2HB ALA 14 2.923 14.789 -1.722 99 HB3 ALA 14 3HB ALA 14 4.244 15.692 -2.460 100 H ASP 15 H ASP 15 5.871 12.012 -2.553 101 HA ASP 15 HA ASP 15 8.004 13.430 -3.914 102 HB2 ASP 15 2HB ASP 15 9.504 11.879 -2.893 103 HB3 ASP 15 1HB ASP 15 8.303 12.295 -1.676 104 H GLY 16 H GLY 16 5.714 11.109 -4.713 105 HA2 GLY 16 2HA GLY 16 5.348 10.453 -6.938 106 HA3 GLY 16 1HA GLY 16 7.055 10.692 -7.268 107 H LYS 17 H LYS 17 5.141 8.690 -5.009 108 HA LYS 17 HA LYS 17 6.625 6.359 -6.032 109 HB2 LYS 17 2HB LYS 17 5.548 6.857 -3.250 110 HB3 LYS 17 1HB LYS 17 6.141 5.297 -3.800 111 HG2 LYS 17 2HG LYS 17 7.763 7.831 -3.647 112 HG3 LYS 17 1HG LYS 17 7.792 6.512 -2.476 113 HD2 LYS 17 2HD LYS 17 8.473 4.989 -4.364 114 HD3 LYS 17 1HD LYS 17 8.661 6.436 -5.357 115 HE2 LYS 17 2HE LYS 17 10.111 5.896 -2.771 116 HE3 LYS 17 1HE LYS 17 10.788 5.676 -4.384 117 HZ1 LYS 17 3HZ LYS 17 11.391 7.801 -3.282 118 HZ2 LYS 17 1HZ LYS 17 9.765 8.273 -3.367 119 HZ3 LYS 17 2HZ LYS 17 10.651 7.993 -4.791 120 H THR 18 H THR 18 5.471 4.520 -6.522 121 HA THR 18 HA THR 18 2.559 4.846 -6.696 122 HB THR 18 HB THR 18 4.380 2.842 -8.055 123 HG1 THR 18 1HG THR 18 4.490 5.019 -8.850 124 HG21 THR 18 3HG2 THR 18 2.203 1.840 -7.686 125 HG22 THR 18 1HG2 THR 18 2.372 2.267 -9.391 126 HG23 THR 18 2HG2 THR 18 1.403 3.280 -8.320 127 H TYR 19 H TYR 19 1.903 4.308 -4.621 128 HA TYR 19 HA TYR 19 2.375 1.493 -3.942 129 HD1 TYR 19 1HD TYR 19 0.313 1.717 -0.834 130 HD2 TYR 19 2HD TYR 19 2.231 5.429 -1.577 131 HE1 TYR 19 1HE TYR 19 -1.096 2.755 0.872 132 HE2 TYR 19 2HE TYR 19 0.856 6.467 0.160 133 HH TYR 19 HH TYR 19 -1.068 4.676 2.335 134 HB2 TYR 19 2HB TYR 19 2.737 1.962 -1.776 135 HB3 TYR 19 1HB TYR 19 3.193 3.523 -2.406 136 H TYR 20 H TYR 20 0.531 0.559 -2.599 137 HA TYR 20 HA TYR 20 -1.952 1.261 -4.010 138 HD1 TYR 20 1HD TYR 20 1.063 -1.133 -4.189 139 HD2 TYR 20 2HD TYR 20 -2.884 -1.421 -5.793 140 HE1 TYR 20 1HE TYR 20 1.999 -1.788 -6.343 141 HE2 TYR 20 2HE TYR 20 -1.938 -2.080 -7.970 142 HH TYR 20 HH TYR 20 0.136 -1.869 -9.213 143 HB2 TYR 20 2HB TYR 20 -1.141 -1.373 -2.753 144 HB3 TYR 20 1HB TYR 20 -2.654 -1.053 -3.576 145 H TYR 21 H TYR 21 -3.861 1.388 -2.883 146 HA TYR 21 HA TYR 21 -3.504 1.624 0.025 147 HD1 TYR 21 1HD TYR 21 -3.204 4.311 1.124 148 HD2 TYR 21 2HD TYR 21 -7.197 3.326 -0.037 149 HE1 TYR 21 1HE TYR 21 -4.056 5.285 3.211 150 HE2 TYR 21 2HE TYR 21 -8.042 4.297 2.053 151 HH TYR 21 HH TYR 21 -7.252 4.817 4.295 152 HB2 TYR 21 2HB TYR 21 -3.821 3.798 -1.251 153 HB3 TYR 21 1HB TYR 21 -5.442 3.237 -1.639 154 H ASN 22 H ASN 22 -4.212 -0.144 0.700 155 HA ASN 22 HA ASN 22 -6.107 -1.872 -0.372 156 HB2 ASN 22 2HB ASN 22 -4.454 -2.631 1.190 157 HB3 ASN 22 1HB ASN 22 -4.946 -1.462 2.403 158 HD21 ASN 22 1HD2 ASN 22 -6.752 -1.922 3.696 159 HD22 ASN 22 2HD2 ASN 22 -7.361 -3.539 3.829 160 H ASN 23 H ASN 23 -8.069 -1.027 -0.832 161 HA ASN 23 HA ASN 23 -9.603 0.351 1.197 162 HB2 ASN 23 2HB ASN 23 -10.320 -0.607 -1.584 163 HB3 ASN 23 1HB ASN 23 -11.457 0.207 -0.518 164 HD21 ASN 23 1HD2 ASN 23 -10.505 1.034 -3.103 165 HD22 ASN 23 2HD2 ASN 23 -9.758 2.575 -2.881 166 H ARG 24 H ARG 24 -8.676 -2.721 0.658 167 HA ARG 24 HA ARG 24 -10.865 -4.322 1.029 168 HE ARG 24 HE ARG 24 -6.739 -5.855 2.274 169 HB2 ARG 24 2HB ARG 24 -8.785 -5.314 0.505 170 HB3 ARG 24 1HB ARG 24 -8.046 -4.665 1.958 171 HG2 ARG 24 2HG ARG 24 -9.398 -6.139 3.335 172 HG3 ARG 24 1HG ARG 24 -10.197 -6.773 1.895 173 HD2 ARG 24 2HD ARG 24 -8.350 -8.215 2.799 174 HD3 ARG 24 1HD ARG 24 -8.167 -7.754 1.107 175 HH11 ARG 24 1HH1 ARG 24 -6.752 -9.307 2.931 176 HH12 ARG 24 2HH1 ARG 24 -5.069 -9.354 3.356 177 HH21 ARG 24 1HH2 ARG 24 -4.562 -5.917 2.890 178 HH22 ARG 24 2HH2 ARG 24 -3.835 -7.410 3.397 179 H THR 25 H THR 25 -8.647 -3.232 3.532 180 HA THR 25 HA THR 25 -10.835 -3.162 5.486 181 HB THR 25 HB THR 25 -9.025 -3.938 7.166 182 HG1 THR 25 1HG THR 25 -7.271 -4.899 6.342 183 HG21 THR 25 3HG2 THR 25 -10.183 -5.876 5.160 184 HG22 THR 25 1HG2 THR 25 -10.988 -5.278 6.613 185 HG23 THR 25 2HG2 THR 25 -9.558 -6.304 6.752 186 H LEU 26 H LEU 26 -9.274 -1.161 3.861 187 HA LEU 26 HA LEU 26 -8.236 0.832 4.022 188 HG LEU 26 HG LEU 26 -9.539 3.217 6.466 189 HB2 LEU 26 2HB LEU 26 -10.080 0.956 5.909 190 HB3 LEU 26 1HB LEU 26 -8.687 0.952 6.972 191 HD11 LEU 26 1HD1 LEU 26 -7.381 4.235 5.914 192 HD12 LEU 26 2HD1 LEU 26 -6.766 2.656 5.429 193 HD13 LEU 26 3HD1 LEU 26 -7.212 2.951 7.108 194 HD21 LEU 26 3HD2 LEU 26 -8.665 2.569 3.660 195 HD22 LEU 26 1HD2 LEU 26 -9.119 4.168 4.246 196 HD23 LEU 26 2HD2 LEU 26 -10.314 2.874 4.207 197 H GLU 27 H GLU 27 -6.274 -0.158 3.516 198 HA GLU 27 HA GLU 27 -4.290 -0.082 5.659 199 HB2 GLU 27 2HB GLU 27 -4.998 -2.479 5.462 200 HB3 GLU 27 1HB GLU 27 -4.561 -2.439 3.768 201 HG2 GLU 27 2HG GLU 27 -2.867 -3.518 5.180 202 HG3 GLU 27 1HG GLU 27 -2.261 -2.123 4.282 203 H SER 28 H SER 28 -2.062 -0.093 4.724 204 HA SER 28 HA SER 28 -2.068 0.966 1.970 205 HG SER 28 HG SER 28 -2.456 2.770 3.290 206 HB2 SER 28 2HB SER 28 -0.458 1.663 4.412 207 HB3 SER 28 1HB SER 28 0.171 2.027 2.824 208 H THR 29 H THR 29 -0.395 0.278 0.522 209 HA THR 29 HA THR 29 1.583 -1.656 1.509 210 HB THR 29 HB THR 29 1.247 -3.275 -0.194 211 HG1 THR 29 1HG THR 29 0.758 -2.463 -2.076 212 HG21 THR 29 3HG2 THR 29 -1.530 -2.430 0.626 213 HG22 THR 29 1HG2 THR 29 -0.475 -3.541 1.500 214 HG23 THR 29 2HG2 THR 29 -1.098 -3.980 -0.093 215 H TRP 30 H TRP 30 3.590 -1.266 0.532 216 HA TRP 30 HA TRP 30 3.903 1.024 -1.155 217 HD1 TRP 30 HD TRP 30 5.351 -0.456 2.243 218 HE1 TRP 30 1HE TRP 30 6.263 1.461 3.626 219 HE3 TRP 30 3HE TRP 30 6.582 2.582 -1.566 220 HZ2 TRP 30 2HZ TRP 30 7.320 3.993 3.161 221 HZ3 TRP 30 3HZ TRP 30 7.505 4.809 -1.023 222 HH2 TRP 30 HH TRP 30 7.827 5.483 1.324 223 HB2 TRP 30 2HB TRP 30 5.731 -1.197 -0.286 224 HB3 TRP 30 1HB TRP 30 6.259 0.054 -1.407 225 H GLU 31 H GLU 31 4.449 -2.449 -1.792 226 HA GLU 31 HA GLU 31 4.273 -1.840 -4.646 227 HB2 GLU 31 2HB GLU 31 5.592 -4.099 -3.162 228 HB3 GLU 31 1HB GLU 31 5.348 -4.109 -4.893 229 HG2 GLU 31 2HG GLU 31 7.545 -3.373 -4.571 230 HG3 GLU 31 1HG GLU 31 6.597 -1.945 -4.990 231 H LYS 32 H LYS 32 3.711 -4.161 -5.800 232 HA LYS 32 HA LYS 32 0.990 -4.373 -5.839 233 HB2 LYS 32 2HB LYS 32 3.078 -6.408 -6.602 234 HB3 LYS 32 1HB LYS 32 1.377 -6.555 -7.012 235 HG2 LYS 32 2HG LYS 32 1.484 -4.574 -8.370 236 HG3 LYS 32 1HG LYS 32 3.158 -4.288 -7.881 237 HD2 LYS 32 2HD LYS 32 3.881 -6.301 -8.971 238 HD3 LYS 32 1HD LYS 32 2.215 -6.769 -9.310 239 HE2 LYS 32 2HE LYS 32 3.316 -5.863 -11.297 240 HE3 LYS 32 1HE LYS 32 1.962 -4.852 -10.789 241 HZ1 LYS 32 3HZ LYS 32 3.496 -3.321 -9.791 242 HZ2 LYS 32 1HZ LYS 32 3.938 -3.568 -11.402 243 HZ3 LYS 32 2HZ LYS 32 4.814 -4.312 -10.151 244 HA PRO 33 HA PRO 33 -0.275 -6.998 -2.454 245 HB2 PRO 33 2HB PRO 33 -2.454 -7.584 -4.398 246 HB3 PRO 33 1HB PRO 33 -2.566 -7.033 -2.717 247 HG2 PRO 33 2HG PRO 33 -3.056 -5.347 -4.675 248 HG3 PRO 33 1HG PRO 33 -2.049 -4.818 -3.308 249 HD2 PRO 33 2HD PRO 33 -1.188 -5.784 -6.023 250 HD3 PRO 33 1HD PRO 33 -0.655 -4.337 -5.136 251 H GLN 34 H GLN 34 -1.747 -9.288 -2.794 252 HA GLN 34 HA GLN 34 0.418 -11.064 -3.622 253 HB2 GLN 34 2HB GLN 34 -2.062 -11.587 -1.988 254 HB3 GLN 34 1HB GLN 34 -0.788 -12.758 -2.296 255 HG2 GLN 34 2HG GLN 34 0.787 -11.493 -1.044 256 HG3 GLN 34 1HG GLN 34 -0.322 -10.131 -0.914 257 HE21 GLN 34 1HE2 GLN 34 0.418 -13.344 0.206 258 HE22 GLN 34 2HE2 GLN 34 -0.615 -13.306 1.602 259 H GLU 35 H GLU 35 -3.035 -10.570 -4.149 260 HA GLU 35 HA GLU 35 -3.028 -12.613 -6.245 261 HB2 GLU 35 2HB GLU 35 -5.584 -11.704 -6.202 262 HB3 GLU 35 1HB GLU 35 -4.983 -13.022 -5.207 263 HG2 GLU 35 2HG GLU 35 -6.353 -11.369 -3.967 264 HG3 GLU 35 1HG GLU 35 -4.735 -11.586 -3.316 265 H LEU 36 H LEU 36 -3.174 -9.190 -5.772 266 HA LEU 36 HA LEU 36 -4.102 -8.592 -8.412 267 HG LEU 36 HG LEU 36 -2.326 -5.753 -8.196 268 HB2 LEU 36 2HB LEU 36 -4.659 -7.009 -6.762 269 HB3 LEU 36 1HB LEU 36 -3.016 -6.926 -6.159 270 HD11 LEU 36 1HD1 LEU 36 -3.913 -6.683 -9.772 271 HD12 LEU 36 2HD1 LEU 36 -4.029 -4.922 -9.770 272 HD13 LEU 36 3HD1 LEU 36 -5.244 -5.890 -8.932 273 HD21 LEU 36 3HD2 LEU 36 -4.701 -4.517 -6.812 274 HD22 LEU 36 1HD2 LEU 36 -3.519 -3.639 -7.788 275 HD23 LEU 36 2HD2 LEU 36 -3.017 -4.429 -6.291 276 H LYS 37 H LYS 37 -2.655 -9.785 -9.653 277 HA LYS 37 HA LYS 37 -0.969 -10.014 -11.124 278 HB2 LYS 37 2HB LYS 37 -0.798 -7.031 -10.671 279 HB3 LYS 37 1HB LYS 37 0.062 -7.877 -11.951 280 HG2 LYS 37 2HG LYS 37 -1.982 -8.539 -12.986 281 HG3 LYS 37 1HG LYS 37 -2.925 -7.951 -11.617 282 HD2 LYS 37 2HD LYS 37 -2.273 -5.672 -12.116 283 HD3 LYS 37 1HD LYS 37 -1.255 -6.231 -13.446 284 HE2 LYS 37 2HE LYS 37 -3.425 -5.368 -14.221 285 HE3 LYS 37 1HE LYS 37 -3.201 -7.068 -14.624 286 HZ1 LYS 37 3HZ LYS 37 -4.887 -5.929 -12.458 287 HZ2 LYS 37 1HZ LYS 37 -4.532 -7.585 -12.580 288 HZ3 LYS 37 2HZ LYS 37 -5.400 -6.809 -13.811 289 HA PRO 101 HA PRO 101 -2.552 15.231 -0.145 290 H2 PRO 101 1HT PRO 101 -5.091 14.467 0.639 291 H3 PRO 101 2HT PRO 101 -4.610 15.565 -0.473 292 HB2 PRO 101 2HB PRO 101 -2.045 14.813 2.570 293 HB3 PRO 101 1HB PRO 101 -1.872 16.346 1.699 294 HG2 PRO 101 2HG PRO 101 -4.166 15.335 3.317 295 HG3 PRO 101 1HG PRO 101 -3.517 16.982 3.195 296 HD2 PRO 101 2HD PRO 101 -5.762 16.347 1.930 297 HD3 PRO 101 1HD PRO 101 -4.550 17.366 1.129 298 HA PRO 102 HA PRO 102 -2.690 10.796 0.164 299 HB2 PRO 102 2HB PRO 102 -0.138 10.241 -0.489 300 HB3 PRO 102 1HB PRO 102 -1.298 10.837 -1.678 301 HG2 PRO 102 2HG PRO 102 0.849 12.320 -0.223 302 HG3 PRO 102 1HG PRO 102 0.339 12.460 -1.914 303 HD2 PRO 102 2HD PRO 102 -0.424 14.194 0.083 304 HD3 PRO 102 1HD PRO 102 -1.351 13.910 -1.404 305 HA PRO 103 HA PRO 103 -0.979 9.844 4.198 306 HB2 PRO 103 2HB PRO 103 -1.466 7.034 3.503 307 HB3 PRO 103 1HB PRO 103 -2.264 8.033 4.729 308 HG2 PRO 103 2HG PRO 103 -3.535 7.207 2.501 309 HG3 PRO 103 1HG PRO 103 -3.868 8.788 3.237 310 HD2 PRO 103 2HD PRO 103 -2.095 8.124 0.904 311 HD3 PRO 103 1HD PRO 103 -3.309 9.415 1.057 312 H LEU 104 H LEU 104 0.968 9.107 4.991 313 HA LEU 104 HA LEU 104 2.939 8.120 3.138 314 HG LEU 104 HG LEU 104 3.044 10.627 4.990 315 HB2 LEU 104 2HB LEU 104 3.001 8.461 6.146 316 HB3 LEU 104 1HB LEU 104 4.372 7.919 5.199 317 HD11 LEU 104 1HD1 LEU 104 4.349 10.340 7.032 318 HD12 LEU 104 2HD1 LEU 104 5.137 11.462 5.922 319 HD13 LEU 104 3HD1 LEU 104 5.736 9.810 6.078 320 HD21 LEU 104 3HD2 LEU 104 3.878 9.890 2.827 321 HD22 LEU 104 1HD2 LEU 104 5.441 9.503 3.544 322 HD23 LEU 104 2HD2 LEU 104 4.894 11.177 3.474 323 H ILE 105 H ILE 105 3.868 6.000 3.208 324 HA ILE 105 HA ILE 105 1.898 3.995 3.811 325 HB ILE 105 HB ILE 105 4.786 3.424 3.029 326 HG12 ILE 105 2HG1 ILE 105 3.897 3.059 0.736 327 HG13 ILE 105 1HG1 ILE 105 2.471 4.088 1.173 328 HG21 ILE 105 1HG2 ILE 105 3.781 1.380 2.078 329 HG22 ILE 105 2HG2 ILE 105 2.190 1.897 2.622 330 HG23 ILE 105 3HG2 ILE 105 3.441 1.514 3.801 331 HD11 ILE 105 3HD1 ILE 105 5.100 5.253 1.812 332 HD12 ILE 105 1HD1 ILE 105 3.665 5.994 1.116 333 HD13 ILE 105 2HD1 ILE 105 4.766 5.061 0.096 334 HA PRO 106 HA PRO 106 3.898 2.711 7.695 335 HB2 PRO 106 2HB PRO 106 2.717 0.300 7.961 336 HB3 PRO 106 1HB PRO 106 1.822 1.792 8.273 337 HG2 PRO 106 2HG PRO 106 1.816 0.058 5.822 338 HG3 PRO 106 1HG PRO 106 0.442 0.809 6.645 339 HD2 PRO 106 2HD PRO 106 1.583 1.847 4.425 340 HD3 PRO 106 1HD PRO 106 0.786 2.836 5.657 341 HA PRO 107 HA PRO 107 7.004 -0.023 5.884 342 HB2 PRO 107 2HB PRO 107 8.458 -0.531 8.099 343 HB3 PRO 107 1HB PRO 107 8.499 1.045 7.298 344 HG2 PRO 107 2HG PRO 107 6.996 0.201 9.740 345 HG3 PRO 107 1HG PRO 107 7.870 1.714 9.437 346 HD2 PRO 107 2HD PRO 107 5.141 1.439 9.218 347 HD3 PRO 107 1HD PRO 107 6.089 2.651 8.335 348 HA PRO 108 HA PRO 108 5.727 -4.157 7.217 349 HB2 PRO 108 2HB PRO 108 7.513 -5.569 5.762 350 HB3 PRO 108 1HB PRO 108 6.093 -4.824 5.015 351 HG2 PRO 108 2HG PRO 108 8.930 -3.872 5.061 352 HG3 PRO 108 1HG PRO 108 7.765 -3.853 3.723 353 HD2 PRO 108 2HD PRO 108 8.338 -1.665 5.279 354 HD3 PRO 108 1HD PRO 108 6.794 -1.901 4.439 355 HA PRO 109 HA PRO 109 8.831 -4.599 10.361 356 HB2 PRO 109 2HB PRO 109 7.913 -7.250 11.025 357 HB3 PRO 109 1HB PRO 109 7.606 -5.736 11.875 358 HG2 PRO 109 2HG PRO 109 5.671 -7.155 10.549 359 HG3 PRO 109 1HG PRO 109 5.601 -5.409 10.837 360 HD2 PRO 109 2HD PRO 109 6.401 -6.890 8.361 361 HD3 PRO 109 1HD PRO 109 5.430 -5.411 8.527 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -6.937 -16.364 -1.900 2 H2 GLY 1 2HT GLY 1 -7.884 -15.732 -3.144 3 H3 GLY 1 3HT GLY 1 -7.700 -17.409 -2.991 4 HA2 GLY 1 1HA GLY 1 -8.932 -17.447 -0.965 5 HA3 GLY 1 2HA GLY 1 -8.975 -15.689 -0.936 6 H ALA 2 H ALA 2 -11.337 -16.792 -0.686 7 HA ALA 2 HA ALA 2 -12.573 -16.590 -3.353 8 HB1 ALA 2 1HB ALA 2 -14.538 -17.633 -2.350 9 HB2 ALA 2 2HB ALA 2 -13.727 -17.668 -0.784 10 HB3 ALA 2 3HB ALA 2 -13.106 -18.636 -2.120 11 H THR 3 H THR 3 -12.122 -15.054 -0.346 12 HA THR 3 HA THR 3 -13.505 -12.715 -1.289 13 HB THR 3 HB THR 3 -15.320 -13.989 -0.100 14 HG1 THR 3 1HG THR 3 -15.794 -11.886 0.011 15 HG21 THR 3 3HG2 THR 3 -13.923 -15.089 1.590 16 HG22 THR 3 1HG2 THR 3 -15.230 -14.174 2.338 17 HG23 THR 3 2HG2 THR 3 -13.590 -13.526 2.340 18 H ALA 4 H ALA 4 -13.147 -10.891 0.318 19 HA ALA 4 HA ALA 4 -11.714 -9.537 1.433 20 HB1 ALA 4 1HB ALA 4 -10.567 -12.064 2.605 21 HB2 ALA 4 2HB ALA 4 -11.921 -11.148 3.265 22 HB3 ALA 4 3HB ALA 4 -10.313 -10.426 3.205 23 H VAL 5 H VAL 5 -9.261 -9.200 1.848 24 HA VAL 5 HA VAL 5 -7.312 -8.606 0.859 25 HB VAL 5 HB VAL 5 -7.361 -11.336 -0.429 26 HG11 VAL 5 1HG1 VAL 5 -4.925 -11.176 -0.285 27 HG12 VAL 5 2HG1 VAL 5 -5.071 -9.569 0.428 28 HG13 VAL 5 3HG1 VAL 5 -5.596 -9.849 -1.234 29 HG21 VAL 5 3HG2 VAL 5 -6.241 -12.173 1.573 30 HG22 VAL 5 1HG2 VAL 5 -7.846 -11.554 1.954 31 HG23 VAL 5 2HG2 VAL 5 -6.417 -10.591 2.335 32 H SER 6 H SER 6 -8.924 -7.207 -0.391 33 HA SER 6 HA SER 6 -8.179 -7.047 -3.094 34 HG SER 6 HG SER 6 -9.140 -9.427 -2.865 35 HB2 SER 6 2HB SER 6 -11.062 -7.760 -2.449 36 HB3 SER 6 1HB SER 6 -10.461 -7.311 -4.011 37 H GLU 7 H GLU 7 -10.216 -5.353 -3.976 38 HA GLU 7 HA GLU 7 -10.744 -3.173 -3.947 39 HB2 GLU 7 2HB GLU 7 -10.565 -3.365 -0.927 40 HB3 GLU 7 1HB GLU 7 -11.273 -2.040 -1.837 41 HG2 GLU 7 2HG GLU 7 -12.285 -4.870 -1.701 42 HG3 GLU 7 1HG GLU 7 -13.005 -3.448 -0.948 43 H TRP 8 H TRP 8 -8.793 -2.802 -4.979 44 HA TRP 8 HA TRP 8 -6.574 -1.864 -3.263 45 HD1 TRP 8 HD TRP 8 -6.444 -5.956 -5.648 46 HE1 TRP 8 1HE TRP 8 -6.234 -7.629 -3.692 47 HE3 TRP 8 3HE TRP 8 -5.379 -2.661 -1.945 48 HZ2 TRP 8 2HZ TRP 8 -5.713 -7.525 -0.908 49 HZ3 TRP 8 3HZ TRP 8 -5.102 -3.507 0.349 50 HH2 TRP 8 HH TRP 8 -5.222 -5.871 0.861 51 HB2 TRP 8 2HB TRP 8 -6.385 -3.392 -5.884 52 HB3 TRP 8 1HB TRP 8 -5.021 -2.808 -4.938 53 H THR 9 H THR 9 -6.477 0.314 -3.575 54 HA THR 9 HA THR 9 -6.859 1.312 -6.295 55 HB THR 9 HB THR 9 -8.117 2.656 -4.979 56 HG1 THR 9 1HG THR 9 -5.793 4.203 -4.836 57 HG21 THR 9 3HG2 THR 9 -7.470 3.610 -2.791 58 HG22 THR 9 1HG2 THR 9 -5.930 2.752 -2.917 59 HG23 THR 9 2HG2 THR 9 -7.446 1.849 -2.788 60 H GLU 10 H GLU 10 -5.620 3.231 -6.700 61 HA GLU 10 HA GLU 10 -2.757 2.566 -6.422 62 HB2 GLU 10 2HB GLU 10 -2.491 3.748 -8.605 63 HB3 GLU 10 1HB GLU 10 -3.508 2.319 -8.665 64 HG2 GLU 10 2HG GLU 10 -5.489 3.889 -8.445 65 HG3 GLU 10 1HG GLU 10 -4.349 5.185 -8.805 66 H TYR 11 H TYR 11 -1.613 3.887 -5.254 67 HA TYR 11 HA TYR 11 -2.458 6.697 -5.028 68 HD1 TYR 11 2HD TYR 11 -4.477 4.779 -3.530 69 HD2 TYR 11 1HD TYR 11 -2.357 7.948 -1.633 70 HE1 TYR 11 2HE TYR 11 -6.592 5.657 -2.642 71 HE2 TYR 11 1HE TYR 11 -4.468 8.831 -0.740 72 HH TYR 11 HH TYR 11 -7.389 7.070 -0.831 73 HB2 TYR 11 2HB TYR 11 -1.909 4.707 -2.926 74 HB3 TYR 11 1HB TYR 11 -1.149 6.277 -2.681 75 H LYS 12 H LYS 12 -1.033 7.740 -6.224 76 HA LYS 12 HA LYS 12 1.760 6.959 -6.259 77 HB2 LYS 12 2HB LYS 12 0.598 7.635 -8.354 78 HB3 LYS 12 1HB LYS 12 0.341 9.237 -7.670 79 HG2 LYS 12 2HG LYS 12 2.795 9.525 -7.529 80 HG3 LYS 12 1HG LYS 12 2.989 7.966 -8.333 81 HD2 LYS 12 2HD LYS 12 1.561 10.364 -9.476 82 HD3 LYS 12 1HD LYS 12 3.181 9.820 -9.909 83 HE2 LYS 12 2HE LYS 12 2.327 8.448 -11.419 84 HE3 LYS 12 1HE LYS 12 1.445 7.598 -10.151 85 HZ1 LYS 12 3HZ LYS 12 -0.402 9.061 -10.434 86 HZ2 LYS 12 1HZ LYS 12 0.017 8.450 -11.958 87 HZ3 LYS 12 2HZ LYS 12 0.445 10.037 -11.531 88 H THR 13 H THR 13 3.040 7.659 -4.713 89 HA THR 13 HA THR 13 2.388 9.958 -3.119 90 HB THR 13 HB THR 13 4.643 9.434 -2.052 91 HG1 THR 13 1HG THR 13 4.463 6.933 -3.329 92 HG21 THR 13 3HG2 THR 13 3.766 7.438 -0.898 93 HG22 THR 13 1HG2 THR 13 2.514 7.295 -2.133 94 HG23 THR 13 2HG2 THR 13 2.541 8.697 -1.066 95 H ALA 14 H ALA 14 4.276 11.530 -2.642 96 HA ALA 14 HA ALA 14 4.602 13.062 -4.978 97 HB1 ALA 14 1HB ALA 14 6.042 13.368 -2.348 98 HB2 ALA 14 2HB ALA 14 4.446 14.019 -2.715 99 HB3 ALA 14 3HB ALA 14 5.859 14.598 -3.597 100 H ASP 15 H ASP 15 6.467 10.506 -3.718 101 HA ASP 15 HA ASP 15 8.948 11.322 -4.955 102 HB2 ASP 15 2HB ASP 15 8.091 8.799 -3.539 103 HB3 ASP 15 1HB ASP 15 9.708 9.044 -4.193 104 H GLY 16 H GLY 16 6.146 10.215 -6.198 105 HA2 GLY 16 2HA GLY 16 5.657 9.424 -8.306 106 HA3 GLY 16 1HA GLY 16 7.383 9.277 -8.617 107 H LYS 17 H LYS 17 5.949 7.842 -5.823 108 HA LYS 17 HA LYS 17 6.520 5.184 -6.935 109 HB2 LYS 17 2HB LYS 17 7.780 5.789 -4.918 110 HB3 LYS 17 1HB LYS 17 6.285 6.135 -4.067 111 HG2 LYS 17 2HG LYS 17 7.160 4.019 -3.347 112 HG3 LYS 17 1HG LYS 17 5.666 3.755 -4.245 113 HD2 LYS 17 2HD LYS 17 6.937 3.112 -6.213 114 HD3 LYS 17 1HD LYS 17 8.447 3.463 -5.378 115 HE2 LYS 17 2HE LYS 17 6.463 1.399 -4.443 116 HE3 LYS 17 1HE LYS 17 7.837 1.035 -5.487 117 HZ1 LYS 17 3HZ LYS 17 8.245 0.614 -3.096 118 HZ2 LYS 17 1HZ LYS 17 8.077 2.274 -2.792 119 HZ3 LYS 17 2HZ LYS 17 9.337 1.722 -3.775 120 H THR 18 H THR 18 4.849 3.892 -7.397 121 HA THR 18 HA THR 18 2.158 4.668 -6.647 122 HB THR 18 HB THR 18 3.177 2.385 -8.357 123 HG1 THR 18 1HG THR 18 2.880 3.701 -10.032 124 HG21 THR 18 3HG2 THR 18 0.799 2.194 -9.099 125 HG22 THR 18 1HG2 THR 18 0.357 3.310 -7.803 126 HG23 THR 18 2HG2 THR 18 1.067 1.731 -7.417 127 H TYR 19 H TYR 19 1.653 4.144 -4.593 128 HA TYR 19 HA TYR 19 2.201 1.381 -3.758 129 HD1 TYR 19 1HD TYR 19 0.492 1.780 -0.327 130 HD2 TYR 19 2HD TYR 19 1.509 5.500 -2.122 131 HE1 TYR 19 1HE TYR 19 -1.036 2.904 1.209 132 HE2 TYR 19 2HE TYR 19 -0.029 6.645 -0.587 133 HH TYR 19 HH TYR 19 -1.380 5.137 2.144 134 HB2 TYR 19 2HB TYR 19 2.543 2.041 -1.635 135 HB3 TYR 19 1HB TYR 19 2.947 3.563 -2.400 136 H TYR 20 H TYR 20 0.449 0.462 -2.342 137 HA TYR 20 HA TYR 20 -2.107 1.095 -3.656 138 HD1 TYR 20 1HD TYR 20 0.922 -1.263 -3.808 139 HD2 TYR 20 2HD TYR 20 -2.990 -1.585 -5.453 140 HE1 TYR 20 1HE TYR 20 1.909 -1.884 -5.955 141 HE2 TYR 20 2HE TYR 20 -2.008 -2.217 -7.627 142 HH TYR 20 HH TYR 20 0.104 -1.971 -8.848 143 HB2 TYR 20 2HB TYR 20 -1.244 -1.517 -2.383 144 HB3 TYR 20 1HB TYR 20 -2.770 -1.216 -3.199 145 H TYR 21 H TYR 21 -3.917 1.335 -2.456 146 HA TYR 21 HA TYR 21 -3.463 1.547 0.430 147 HD1 TYR 21 2HD TYR 21 -3.158 4.117 1.606 148 HD2 TYR 21 1HD TYR 21 -7.174 3.330 0.418 149 HE1 TYR 21 2HE TYR 21 -3.966 5.012 3.745 150 HE2 TYR 21 1HE TYR 21 -7.985 4.223 2.558 151 HH TYR 21 HH TYR 21 -7.137 4.583 4.847 152 HB2 TYR 21 2HB TYR 21 -3.796 3.755 -0.791 153 HB3 TYR 21 1HB TYR 21 -5.424 3.205 -1.177 154 H ASN 22 H ASN 22 -4.155 -0.324 0.960 155 HA ASN 22 HA ASN 22 -6.164 -1.892 -0.070 156 HB2 ASN 22 2HB ASN 22 -4.589 -2.856 1.407 157 HB3 ASN 22 1HB ASN 22 -4.865 -1.645 2.642 158 HD21 ASN 22 1HD2 ASN 22 -4.925 -4.680 2.484 159 HD22 ASN 22 2HD2 ASN 22 -6.407 -5.091 3.283 160 H ASN 23 H ASN 23 -8.128 -1.212 -0.445 161 HA ASN 23 HA ASN 23 -9.585 0.322 1.562 162 HB2 ASN 23 2HB ASN 23 -9.725 0.819 -0.920 163 HB3 ASN 23 1HB ASN 23 -10.567 -0.713 -1.112 164 HD21 ASN 23 1HD2 ASN 23 -12.378 0.332 -1.924 165 HD22 ASN 23 2HD2 ASN 23 -13.465 1.211 -0.896 166 H ARG 24 H ARG 24 -8.685 -2.717 1.254 167 HA ARG 24 HA ARG 24 -10.971 -4.283 1.565 168 HE ARG 24 HE ARG 24 -11.732 -6.057 3.574 169 HB2 ARG 24 2HB ARG 24 -8.537 -5.011 1.158 170 HB3 ARG 24 1HB ARG 24 -8.356 -4.904 2.900 171 HG2 ARG 24 2HG ARG 24 -10.530 -6.582 1.705 172 HG3 ARG 24 1HG ARG 24 -8.878 -7.187 1.784 173 HD2 ARG 24 2HD ARG 24 -9.780 -8.013 3.744 174 HD3 ARG 24 1HD ARG 24 -9.040 -6.514 4.298 175 HH11 ARG 24 1HH1 ARG 24 -9.827 -7.605 6.092 176 HH12 ARG 24 2HH1 ARG 24 -11.034 -7.354 7.317 177 HH21 ARG 24 1HH2 ARG 24 -13.318 -5.742 5.210 178 HH22 ARG 24 2HH2 ARG 24 -12.991 -6.297 6.829 179 H THR 25 H THR 25 -8.643 -3.269 4.011 180 HA THR 25 HA THR 25 -10.769 -3.000 6.002 181 HB THR 25 HB THR 25 -9.646 -5.169 6.323 182 HG1 THR 25 1HG THR 25 -9.336 -3.114 8.256 183 HG21 THR 25 3HG2 THR 25 -7.527 -4.578 5.366 184 HG22 THR 25 1HG2 THR 25 -7.291 -5.172 7.011 185 HG23 THR 25 2HG2 THR 25 -7.225 -3.441 6.673 186 H LEU 26 H LEU 26 -9.010 -1.258 4.245 187 HA LEU 26 HA LEU 26 -7.974 0.726 4.303 188 HG LEU 26 HG LEU 26 -10.364 2.676 6.305 189 HB2 LEU 26 2HB LEU 26 -9.089 0.721 7.087 190 HB3 LEU 26 1HB LEU 26 -8.033 2.013 6.546 191 HD11 LEU 26 1HD1 LEU 26 -10.349 3.232 3.893 192 HD12 LEU 26 2HD1 LEU 26 -8.984 2.134 3.674 193 HD13 LEU 26 3HD1 LEU 26 -8.810 3.568 4.687 194 HD21 LEU 26 3HD2 LEU 26 -11.419 0.516 6.066 195 HD22 LEU 26 1HD2 LEU 26 -10.588 0.242 4.531 196 HD23 LEU 26 2HD2 LEU 26 -11.813 1.510 4.664 197 H GLU 27 H GLU 27 -6.320 -0.976 4.066 198 HA GLU 27 HA GLU 27 -4.165 -0.637 6.050 199 HB2 GLU 27 2HB GLU 27 -4.320 -2.912 5.998 200 HB3 GLU 27 1HB GLU 27 -5.098 -2.927 4.430 201 HG2 GLU 27 2HG GLU 27 -2.826 -2.451 3.423 202 HG3 GLU 27 1HG GLU 27 -2.164 -2.763 5.021 203 H SER 28 H SER 28 -1.978 -0.400 5.120 204 HA SER 28 HA SER 28 -2.057 0.745 2.411 205 HG SER 28 HG SER 28 -2.575 2.415 3.948 206 HB2 SER 28 2HB SER 28 -0.420 1.422 4.841 207 HB3 SER 28 1HB SER 28 0.077 1.959 3.252 208 H THR 29 H THR 29 -0.425 0.167 0.908 209 HA THR 29 HA THR 29 1.617 -1.758 1.764 210 HB THR 29 HB THR 29 1.146 -3.417 0.167 211 HG1 THR 29 1HG THR 29 0.692 -2.648 -1.749 212 HG21 THR 29 3HG2 THR 29 -1.213 -4.050 0.324 213 HG22 THR 29 1HG2 THR 29 -1.614 -2.440 0.917 214 HG23 THR 29 2HG2 THR 29 -0.602 -3.508 1.889 215 H TRP 30 H TRP 30 3.576 -1.421 0.649 216 HA TRP 30 HA TRP 30 3.721 0.942 -0.959 217 HD1 TRP 30 HD TRP 30 5.634 -0.213 2.432 218 HE1 TRP 30 1HE TRP 30 6.299 1.949 3.577 219 HE3 TRP 30 3HE TRP 30 6.130 2.752 -1.701 220 HZ2 TRP 30 2HZ TRP 30 6.885 4.571 2.875 221 HZ3 TRP 30 3HZ TRP 30 6.707 5.120 -1.342 222 HH2 TRP 30 HH TRP 30 7.057 5.988 0.916 223 HB2 TRP 30 2HB TRP 30 5.750 -1.092 -0.065 224 HB3 TRP 30 1HB TRP 30 6.169 0.080 -1.310 225 H GLU 31 H GLU 31 4.660 -2.447 -1.859 226 HA GLU 31 HA GLU 31 3.665 -1.713 -4.516 227 HB2 GLU 31 2HB GLU 31 4.914 -3.547 -5.466 228 HB3 GLU 31 1HB GLU 31 5.955 -2.513 -4.529 229 HG2 GLU 31 2HG GLU 31 6.379 -4.113 -2.961 230 HG3 GLU 31 1HG GLU 31 4.813 -4.893 -3.195 231 H LYS 32 H LYS 32 3.391 -4.485 -5.362 232 HA LYS 32 HA LYS 32 0.610 -4.465 -5.103 233 HB2 LYS 32 2HB LYS 32 0.665 -6.505 -6.447 234 HB3 LYS 32 1HB LYS 32 1.762 -5.284 -7.090 235 HG2 LYS 32 2HG LYS 32 3.599 -6.455 -5.860 236 HG3 LYS 32 1HG LYS 32 2.459 -7.766 -5.541 237 HD2 LYS 32 2HD LYS 32 3.637 -8.423 -7.482 238 HD3 LYS 32 1HD LYS 32 2.077 -7.834 -8.060 239 HE2 LYS 32 2HE LYS 32 3.815 -6.963 -9.479 240 HE3 LYS 32 1HE LYS 32 3.135 -5.637 -8.531 241 HZ1 LYS 32 3HZ LYS 32 5.431 -5.336 -8.400 242 HZ2 LYS 32 1HZ LYS 32 5.744 -6.991 -8.189 243 HZ3 LYS 32 2HZ LYS 32 5.051 -6.090 -6.931 244 HA PRO 33 HA PRO 33 -0.342 -6.918 -1.523 245 HB2 PRO 33 2HB PRO 33 -2.736 -7.340 -3.278 246 HB3 PRO 33 1HB PRO 33 -2.670 -6.867 -1.561 247 HG2 PRO 33 2HG PRO 33 -3.214 -5.029 -3.336 248 HG3 PRO 33 1HG PRO 33 -1.967 -4.666 -2.119 249 HD2 PRO 33 2HD PRO 33 -1.612 -5.596 -4.955 250 HD3 PRO 33 1HD PRO 33 -0.820 -4.239 -4.116 251 H GLN 34 H GLN 34 -1.596 -9.058 -1.242 252 HA GLN 34 HA GLN 34 0.033 -11.148 -1.949 253 HB2 GLN 34 2HB GLN 34 -2.898 -11.264 -1.226 254 HB3 GLN 34 1HB GLN 34 -1.802 -12.633 -1.199 255 HG2 GLN 34 2HG GLN 34 -1.397 -10.169 0.472 256 HG3 GLN 34 1HG GLN 34 -2.289 -11.588 1.020 257 HE21 GLN 34 1HE2 GLN 34 -1.176 -13.516 1.385 258 HE22 GLN 34 2HE2 GLN 34 0.544 -13.562 1.568 259 H GLU 35 H GLU 35 -3.319 -10.940 -3.126 260 HA GLU 35 HA GLU 35 -2.590 -12.753 -5.290 261 HB2 GLU 35 2HB GLU 35 -5.306 -11.853 -4.319 262 HB3 GLU 35 1HB GLU 35 -5.005 -13.104 -5.524 263 HG2 GLU 35 2HG GLU 35 -3.801 -14.408 -3.823 264 HG3 GLU 35 1HG GLU 35 -4.176 -13.167 -2.634 265 H LEU 36 H LEU 36 -2.604 -9.554 -4.953 266 HA LEU 36 HA LEU 36 -3.859 -8.939 -7.487 267 HG LEU 36 HG LEU 36 -1.872 -6.060 -7.208 268 HB2 LEU 36 2HB LEU 36 -4.276 -7.277 -5.893 269 HB3 LEU 36 1HB LEU 36 -2.620 -7.273 -5.324 270 HD11 LEU 36 1HD1 LEU 36 -3.200 -7.171 -8.947 271 HD12 LEU 36 2HD1 LEU 36 -3.328 -5.419 -9.078 272 HD13 LEU 36 3HD1 LEU 36 -4.651 -6.350 -8.370 273 HD21 LEU 36 3HD2 LEU 36 -2.930 -4.721 -5.496 274 HD22 LEU 36 1HD2 LEU 36 -4.494 -4.912 -6.280 275 HD23 LEU 36 2HD2 LEU 36 -3.210 -4.011 -7.085 276 H LYS 37 H LYS 37 -2.726 -9.879 -9.020 277 HA LYS 37 HA LYS 37 -0.046 -8.850 -9.530 278 HB2 LYS 37 2HB LYS 37 0.548 -11.193 -10.384 279 HB3 LYS 37 1HB LYS 37 0.516 -10.957 -8.643 280 HG2 LYS 37 2HG LYS 37 -1.668 -12.013 -8.515 281 HG3 LYS 37 1HG LYS 37 -1.693 -12.203 -10.269 282 HD2 LYS 37 2HD LYS 37 0.232 -13.669 -10.174 283 HD3 LYS 37 1HD LYS 37 0.367 -13.422 -8.435 284 HE2 LYS 37 2HE LYS 37 -1.979 -14.694 -9.837 285 HE3 LYS 37 1HE LYS 37 -0.699 -15.569 -9.004 286 HZ1 LYS 37 3HZ LYS 37 -2.581 -15.389 -7.569 287 HZ2 LYS 37 1HZ LYS 37 -2.672 -13.714 -7.782 288 HZ3 LYS 37 2HZ LYS 37 -1.362 -14.393 -6.946 289 HA PRO 101 HA PRO 101 -2.574 15.770 -0.013 290 H2 PRO 101 1HT PRO 101 -4.909 15.085 0.999 291 H3 PRO 101 2HT PRO 101 -4.521 16.498 0.277 292 HB2 PRO 101 2HB PRO 101 -1.725 15.315 2.733 293 HB3 PRO 101 1HB PRO 101 -1.197 16.559 1.590 294 HG2 PRO 101 2HG PRO 101 -2.742 17.114 3.748 295 HG3 PRO 101 1HG PRO 101 -2.815 18.037 2.236 296 HD2 PRO 101 2HD PRO 101 -4.640 15.861 3.215 297 HD3 PRO 101 1HD PRO 101 -5.053 17.405 2.450 298 HA PRO 102 HA PRO 102 -2.716 11.378 0.172 299 HB2 PRO 102 2HB PRO 102 0.094 11.115 -0.434 300 HB3 PRO 102 1HB PRO 102 -1.287 10.922 -1.520 301 HG2 PRO 102 2HG PRO 102 0.532 12.967 -1.700 302 HG3 PRO 102 1HG PRO 102 -1.131 13.066 -2.291 303 HD2 PRO 102 2HD PRO 102 0.049 14.132 0.240 304 HD3 PRO 102 1HD PRO 102 -1.163 14.859 -0.837 305 HA PRO 103 HA PRO 103 -1.056 10.101 4.084 306 HB2 PRO 103 2HB PRO 103 -1.611 7.341 3.410 307 HB3 PRO 103 1HB PRO 103 -2.495 8.407 4.504 308 HG2 PRO 103 2HG PRO 103 -3.488 7.497 2.120 309 HG3 PRO 103 1HG PRO 103 -4.003 9.007 2.896 310 HD2 PRO 103 2HD PRO 103 -2.078 8.588 0.641 311 HD3 PRO 103 1HD PRO 103 -3.304 9.856 0.860 312 H LEU 104 H LEU 104 0.821 9.268 4.920 313 HA LEU 104 HA LEU 104 2.832 8.208 3.151 314 HG LEU 104 HG LEU 104 2.868 10.648 5.053 315 HB2 LEU 104 2HB LEU 104 2.753 8.436 6.168 316 HB3 LEU 104 1HB LEU 104 4.149 7.921 5.244 317 HD11 LEU 104 1HD1 LEU 104 5.441 9.824 6.389 318 HD12 LEU 104 2HD1 LEU 104 3.951 10.258 7.224 319 HD13 LEU 104 3HD1 LEU 104 4.798 11.463 6.256 320 HD21 LEU 104 3HD2 LEU 104 4.844 11.246 3.770 321 HD22 LEU 104 1HD2 LEU 104 3.969 9.934 2.986 322 HD23 LEU 104 2HD2 LEU 104 5.443 9.591 3.890 323 H ILE 105 H ILE 105 3.603 6.028 3.160 324 HA ILE 105 HA ILE 105 1.690 4.039 4.001 325 HB ILE 105 HB ILE 105 4.536 3.603 2.975 326 HG12 ILE 105 2HG1 ILE 105 3.449 2.834 0.899 327 HG13 ILE 105 1HG1 ILE 105 1.905 3.486 1.480 328 HG21 ILE 105 1HG2 ILE 105 3.737 1.320 2.499 329 HG22 ILE 105 2HG2 ILE 105 2.202 1.700 3.284 330 HG23 ILE 105 3HG2 ILE 105 3.698 1.697 4.219 331 HD11 ILE 105 3HD1 ILE 105 2.422 5.548 0.799 332 HD12 ILE 105 1HD1 ILE 105 3.788 4.812 -0.050 333 HD13 ILE 105 2HD1 ILE 105 4.018 5.474 1.569 334 HA PRO 106 HA PRO 106 3.879 3.173 7.897 335 HB2 PRO 106 2HB PRO 106 2.788 0.762 8.444 336 HB3 PRO 106 1HB PRO 106 1.859 2.256 8.645 337 HG2 PRO 106 2HG PRO 106 1.828 0.302 6.367 338 HG3 PRO 106 1HG PRO 106 0.453 1.080 7.168 339 HD2 PRO 106 2HD PRO 106 1.473 1.938 4.818 340 HD3 PRO 106 1HD PRO 106 0.707 3.020 5.990 341 HA PRO 107 HA PRO 107 7.043 0.584 6.120 342 HB2 PRO 107 2HB PRO 107 8.619 0.187 8.280 343 HB3 PRO 107 1HB PRO 107 8.503 1.756 7.481 344 HG2 PRO 107 2HG PRO 107 7.201 0.814 9.995 345 HG3 PRO 107 1HG PRO 107 7.909 2.398 9.628 346 HD2 PRO 107 2HD PRO 107 5.212 1.837 9.557 347 HD3 PRO 107 1HD PRO 107 5.989 3.149 8.651 348 HA PRO 108 HA PRO 108 6.054 -3.658 7.226 349 HB2 PRO 108 2HB PRO 108 8.347 -4.500 5.657 350 HB3 PRO 108 1HB PRO 108 6.632 -4.647 5.264 351 HG2 PRO 108 2HG PRO 108 8.352 -2.996 3.926 352 HG3 PRO 108 1HG PRO 108 6.611 -2.707 4.057 353 HD2 PRO 108 2HD PRO 108 8.856 -1.479 5.606 354 HD3 PRO 108 1HD PRO 108 7.386 -0.721 4.956 355 HA PRO 109 HA PRO 109 9.137 -4.572 10.339 356 HB2 PRO 109 2HB PRO 109 8.040 -7.233 10.600 357 HB3 PRO 109 1HB PRO 109 7.877 -5.864 11.701 358 HG2 PRO 109 2HG PRO 109 5.804 -6.905 10.246 359 HG3 PRO 109 1HG PRO 109 5.871 -5.223 10.798 360 HD2 PRO 109 2HD PRO 109 6.491 -6.363 8.101 361 HD3 PRO 109 1HD PRO 109 5.648 -4.855 8.523 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -7.171 -18.851 7.663 2 H2 GLY 1 2HT GLY 1 -8.637 -19.604 7.255 3 H3 GLY 1 3HT GLY 1 -8.610 -17.953 7.634 4 HA2 GLY 1 1HA GLY 1 -7.394 -17.428 5.668 5 HA3 GLY 1 2HA GLY 1 -7.204 -19.138 5.310 6 H ALA 2 H ALA 2 -10.061 -17.373 6.455 7 HA ALA 2 HA ALA 2 -11.510 -18.462 4.136 8 HB1 ALA 2 1HB ALA 2 -12.351 -19.220 6.296 9 HB2 ALA 2 2HB ALA 2 -13.542 -18.208 5.479 10 HB3 ALA 2 3HB ALA 2 -12.585 -17.547 6.804 11 H THR 3 H THR 3 -10.622 -15.535 5.790 12 HA THR 3 HA THR 3 -12.498 -13.920 4.304 13 HB THR 3 HB THR 3 -11.963 -13.225 6.571 14 HG1 THR 3 1HG THR 3 -12.248 -11.653 4.736 15 HG21 THR 3 3HG2 THR 3 -9.745 -12.376 7.190 16 HG22 THR 3 1HG2 THR 3 -9.130 -12.835 5.601 17 HG23 THR 3 2HG2 THR 3 -9.670 -14.076 6.727 18 H ALA 4 H ALA 4 -12.150 -13.073 2.370 19 HA ALA 4 HA ALA 4 -9.515 -13.347 1.146 20 HB1 ALA 4 1HB ALA 4 -10.667 -12.893 -0.953 21 HB2 ALA 4 2HB ALA 4 -12.167 -12.594 -0.077 22 HB3 ALA 4 3HB ALA 4 -11.446 -14.205 -0.071 23 H VAL 5 H VAL 5 -8.800 -11.523 -0.286 24 HA VAL 5 HA VAL 5 -9.465 -8.926 0.910 25 HB VAL 5 HB VAL 5 -7.100 -8.238 0.649 26 HG11 VAL 5 1HG1 VAL 5 -7.928 -9.003 2.817 27 HG12 VAL 5 2HG1 VAL 5 -6.231 -9.432 2.589 28 HG13 VAL 5 3HG1 VAL 5 -7.484 -10.660 2.405 29 HG21 VAL 5 3HG2 VAL 5 -6.444 -9.826 -1.082 30 HG22 VAL 5 1HG2 VAL 5 -6.616 -11.159 0.062 31 HG23 VAL 5 2HG2 VAL 5 -5.372 -9.936 0.315 32 H SER 6 H SER 6 -8.962 -7.102 -0.446 33 HA SER 6 HA SER 6 -8.060 -7.022 -3.015 34 HG SER 6 HG SER 6 -9.482 -7.336 -5.309 35 HB2 SER 6 2HB SER 6 -9.919 -8.543 -3.612 36 HB3 SER 6 1HB SER 6 -11.081 -7.375 -3.007 37 H GLU 7 H GLU 7 -10.167 -5.293 -4.029 38 HA GLU 7 HA GLU 7 -10.650 -3.092 -4.049 39 HB2 GLU 7 2HB GLU 7 -10.606 -3.388 -1.031 40 HB3 GLU 7 1HB GLU 7 -11.302 -2.033 -1.921 41 HG2 GLU 7 2HG GLU 7 -13.020 -3.346 -2.806 42 HG3 GLU 7 1HG GLU 7 -12.203 -4.852 -2.401 43 H TRP 8 H TRP 8 -8.686 -2.810 -5.022 44 HA TRP 8 HA TRP 8 -6.520 -1.677 -3.326 45 HD1 TRP 8 HD TRP 8 -6.410 -5.756 -5.738 46 HE1 TRP 8 1HE TRP 8 -6.223 -7.444 -3.789 47 HE3 TRP 8 3HE TRP 8 -5.264 -2.482 -2.094 48 HZ2 TRP 8 2HZ TRP 8 -5.667 -7.324 -0.993 49 HZ3 TRP 8 3HZ TRP 8 -5.012 -3.287 0.224 50 HH2 TRP 8 HH TRP 8 -5.149 -5.643 0.757 51 HB2 TRP 8 2HB TRP 8 -6.271 -3.187 -5.965 52 HB3 TRP 8 1HB TRP 8 -4.941 -2.607 -4.969 53 H THR 9 H THR 9 -6.095 0.406 -3.786 54 HA THR 9 HA THR 9 -6.627 1.369 -6.512 55 HB THR 9 HB THR 9 -7.917 2.744 -5.259 56 HG1 THR 9 1HG THR 9 -6.267 4.675 -4.752 57 HG21 THR 9 3HG2 THR 9 -7.335 3.731 -3.069 58 HG22 THR 9 1HG2 THR 9 -5.796 2.864 -3.131 59 HG23 THR 9 2HG2 THR 9 -7.317 1.968 -3.034 60 H GLU 10 H GLU 10 -5.344 3.405 -6.824 61 HA GLU 10 HA GLU 10 -2.490 2.687 -6.475 62 HB2 GLU 10 2HB GLU 10 -3.752 4.181 -8.767 63 HB3 GLU 10 1HB GLU 10 -2.038 3.853 -8.589 64 HG2 GLU 10 2HG GLU 10 -2.519 1.444 -8.675 65 HG3 GLU 10 1HG GLU 10 -4.222 1.825 -8.955 66 H TYR 11 H TYR 11 -1.452 3.987 -5.241 67 HA TYR 11 HA TYR 11 -2.254 6.809 -5.092 68 HD1 TYR 11 2HD TYR 11 -4.350 5.164 -4.041 69 HD2 TYR 11 1HD TYR 11 -2.336 7.692 -1.282 70 HE1 TYR 11 2HE TYR 11 -6.520 6.007 -3.232 71 HE2 TYR 11 1HE TYR 11 -4.485 8.544 -0.465 72 HH TYR 11 HH TYR 11 -6.837 8.762 -1.354 73 HB2 TYR 11 2HB TYR 11 -1.787 4.823 -2.948 74 HB3 TYR 11 1HB TYR 11 -1.083 6.411 -2.679 75 H LYS 12 H LYS 12 -0.688 8.071 -5.864 76 HA LYS 12 HA LYS 12 2.066 7.102 -5.642 77 HB2 LYS 12 2HB LYS 12 2.673 8.667 -7.402 78 HB3 LYS 12 1HB LYS 12 1.385 7.607 -7.936 79 HG2 LYS 12 2HG LYS 12 0.777 10.338 -6.877 80 HG3 LYS 12 1HG LYS 12 1.305 10.107 -8.540 81 HD2 LYS 12 2HD LYS 12 -1.113 8.834 -7.259 82 HD3 LYS 12 1HD LYS 12 -1.129 10.199 -8.377 83 HE2 LYS 12 2HE LYS 12 0.069 8.650 -10.017 84 HE3 LYS 12 1HE LYS 12 -0.391 7.339 -8.934 85 HZ1 LYS 12 3HZ LYS 12 -2.743 8.197 -9.185 86 HZ2 LYS 12 1HZ LYS 12 -2.067 7.464 -10.564 87 HZ3 LYS 12 2HZ LYS 12 -2.164 9.150 -10.469 88 H THR 13 H THR 13 3.377 7.991 -4.237 89 HA THR 13 HA THR 13 2.421 10.190 -2.628 90 HB THR 13 HB THR 13 4.658 9.800 -1.424 91 HG1 THR 13 1HG THR 13 4.718 7.239 -2.489 92 HG21 THR 13 3HG2 THR 13 2.505 8.997 -0.568 93 HG22 THR 13 1HG2 THR 13 3.783 7.822 -0.259 94 HG23 THR 13 2HG2 THR 13 2.636 7.555 -1.574 95 H ALA 14 H ALA 14 4.343 11.757 -1.919 96 HA ALA 14 HA ALA 14 4.568 13.585 -4.017 97 HB1 ALA 14 1HB ALA 14 4.606 14.215 -1.666 98 HB2 ALA 14 2HB ALA 14 6.005 14.870 -2.517 99 HB3 ALA 14 3HB ALA 14 6.181 13.456 -1.474 100 H ASP 15 H ASP 15 6.688 10.996 -3.109 101 HA ASP 15 HA ASP 15 8.993 12.011 -4.478 102 HB2 ASP 15 2HB ASP 15 9.392 10.530 -2.641 103 HB3 ASP 15 1HB ASP 15 8.331 9.301 -3.324 104 H GLY 16 H GLY 16 6.224 10.153 -5.367 105 HA2 GLY 16 2HA GLY 16 5.678 9.708 -7.663 106 HA3 GLY 16 1HA GLY 16 7.400 9.649 -8.021 107 H LYS 17 H LYS 17 6.063 8.120 -5.215 108 HA LYS 17 HA LYS 17 6.815 5.502 -6.273 109 HB2 LYS 17 2HB LYS 17 6.198 6.498 -3.490 110 HB3 LYS 17 1HB LYS 17 6.403 4.794 -3.856 111 HG2 LYS 17 2HG LYS 17 8.513 6.827 -4.484 112 HG3 LYS 17 1HG LYS 17 8.412 6.004 -2.928 113 HD2 LYS 17 2HD LYS 17 8.621 3.852 -4.033 114 HD3 LYS 17 1HD LYS 17 8.665 4.643 -5.609 115 HE2 LYS 17 2HE LYS 17 10.658 5.168 -3.414 116 HE3 LYS 17 1HE LYS 17 10.894 3.946 -4.663 117 HZ1 LYS 17 3HZ LYS 17 10.552 6.874 -5.118 118 HZ2 LYS 17 1HZ LYS 17 10.763 5.702 -6.333 119 HZ3 LYS 17 2HZ LYS 17 12.007 6.007 -5.227 120 H THR 18 H THR 18 5.335 4.179 -7.042 121 HA THR 18 HA THR 18 2.519 4.697 -6.608 122 HB THR 18 HB THR 18 3.943 2.622 -8.289 123 HG1 THR 18 1HG THR 18 2.283 4.654 -9.315 124 HG21 THR 18 3HG2 THR 18 0.980 3.175 -8.039 125 HG22 THR 18 1HG2 THR 18 1.818 1.692 -7.578 126 HG23 THR 18 2HG2 THR 18 1.717 2.160 -9.277 127 H TYR 19 H TYR 19 1.791 4.044 -4.665 128 HA TYR 19 HA TYR 19 2.361 1.247 -3.979 129 HD1 TYR 19 2HD TYR 19 1.791 5.255 -2.314 130 HD2 TYR 19 1HD TYR 19 0.523 1.661 -0.426 131 HE1 TYR 19 2HE TYR 19 0.290 6.537 -0.858 132 HE2 TYR 19 1HE TYR 19 -0.967 2.930 1.028 133 HH TYR 19 HH TYR 19 -1.238 5.184 1.883 134 HB2 TYR 19 2HB TYR 19 2.507 1.687 -1.753 135 HB3 TYR 19 1HB TYR 19 3.167 3.175 -2.399 136 H TYR 20 H TYR 20 0.585 0.340 -2.532 137 HA TYR 20 HA TYR 20 -1.953 0.951 -3.875 138 HD1 TYR 20 1HD TYR 20 1.091 -1.319 -4.039 139 HD2 TYR 20 2HD TYR 20 -2.833 -1.752 -5.645 140 HE1 TYR 20 1HE TYR 20 2.060 -1.948 -6.209 141 HE2 TYR 20 2HE TYR 20 -1.866 -2.375 -7.826 142 HH TYR 20 HH TYR 20 0.311 -2.010 -9.056 143 HB2 TYR 20 2HB TYR 20 -1.058 -1.642 -2.585 144 HB3 TYR 20 1HB TYR 20 -2.598 -1.370 -3.386 145 H TYR 21 H TYR 21 -3.754 1.247 -2.721 146 HA TYR 21 HA TYR 21 -3.341 1.561 0.173 147 HD1 TYR 21 2HD TYR 21 -3.159 4.394 1.248 148 HD2 TYR 21 1HD TYR 21 -7.040 3.267 -0.119 149 HE1 TYR 21 2HE TYR 21 -4.170 5.439 3.230 150 HE2 TYR 21 1HE TYR 21 -8.046 4.315 1.853 151 HH TYR 21 HH TYR 21 -7.376 4.927 4.159 152 HB2 TYR 21 2HB TYR 21 -3.557 3.713 -1.101 153 HB3 TYR 21 1HB TYR 21 -5.152 3.198 -1.623 154 H ASN 22 H ASN 22 -4.151 -0.151 0.917 155 HA ASN 22 HA ASN 22 -6.149 -1.780 -0.114 156 HB2 ASN 22 2HB ASN 22 -4.577 -2.622 1.504 157 HB3 ASN 22 1HB ASN 22 -4.990 -1.378 2.670 158 HD21 ASN 22 1HD2 ASN 22 -5.387 -4.548 1.833 159 HD22 ASN 22 2HD2 ASN 22 -6.762 -4.918 2.810 160 H ASN 23 H ASN 23 -8.113 -1.002 -0.533 161 HA ASN 23 HA ASN 23 -9.545 0.548 1.471 162 HB2 ASN 23 2HB ASN 23 -10.288 -0.434 -1.295 163 HB3 ASN 23 1HB ASN 23 -11.451 0.337 -0.223 164 HD21 ASN 23 1HD2 ASN 23 -10.444 1.174 -2.825 165 HD22 ASN 23 2HD2 ASN 23 -9.774 2.745 -2.589 166 H ARG 24 H ARG 24 -8.614 -2.475 1.262 167 HA ARG 24 HA ARG 24 -10.910 -4.018 1.356 168 HE ARG 24 HE ARG 24 -10.991 -8.562 2.074 169 HB2 ARG 24 2HB ARG 24 -8.661 -4.941 0.941 170 HB3 ARG 24 1HB ARG 24 -8.295 -4.704 2.645 171 HG2 ARG 24 2HG ARG 24 -8.916 -7.018 2.166 172 HG3 ARG 24 1HG ARG 24 -10.068 -6.252 3.263 173 HD2 ARG 24 2HD ARG 24 -11.535 -5.803 1.307 174 HD3 ARG 24 1HD ARG 24 -10.415 -6.716 0.305 175 HH11 ARG 24 1HH1 ARG 24 -13.104 -6.142 0.706 176 HH12 ARG 24 2HH1 ARG 24 -14.517 -7.157 0.754 177 HH21 ARG 24 1HH2 ARG 24 -12.840 -9.937 2.119 178 HH22 ARG 24 2HH2 ARG 24 -14.366 -9.327 1.570 179 H THR 25 H THR 25 -8.729 -3.241 4.028 180 HA THR 25 HA THR 25 -11.035 -2.960 5.826 181 HB THR 25 HB THR 25 -9.499 -3.913 7.643 182 HG1 THR 25 1HG THR 25 -7.683 -4.933 7.056 183 HG21 THR 25 3HG2 THR 25 -11.412 -5.159 6.828 184 HG22 THR 25 1HG2 THR 25 -10.050 -6.258 7.058 185 HG23 THR 25 2HG2 THR 25 -10.487 -5.722 5.435 186 H LEU 26 H LEU 26 -9.245 -1.177 4.258 187 HA LEU 26 HA LEU 26 -8.209 0.800 4.372 188 HG LEU 26 HG LEU 26 -9.449 3.292 6.727 189 HB2 LEU 26 2HB LEU 26 -10.019 1.003 6.314 190 HB3 LEU 26 1HB LEU 26 -8.582 1.062 7.314 191 HD11 LEU 26 1HD1 LEU 26 -7.324 4.278 6.000 192 HD12 LEU 26 2HD1 LEU 26 -6.740 2.673 5.564 193 HD13 LEU 26 3HD1 LEU 26 -7.092 3.054 7.249 194 HD21 LEU 26 3HD2 LEU 26 -10.358 2.762 4.533 195 HD22 LEU 26 1HD2 LEU 26 -8.723 2.534 3.905 196 HD23 LEU 26 2HD2 LEU 26 -9.246 4.127 4.450 197 H GLU 27 H GLU 27 -6.284 -0.176 3.879 198 HA GLU 27 HA GLU 27 -4.270 -0.064 5.998 199 HB2 GLU 27 2HB GLU 27 -4.844 -2.448 5.840 200 HB3 GLU 27 1HB GLU 27 -4.614 -2.408 4.101 201 HG2 GLU 27 2HG GLU 27 -2.707 -3.446 5.145 202 HG3 GLU 27 1HG GLU 27 -2.234 -1.902 4.438 203 H SER 28 H SER 28 -2.099 0.189 5.106 204 HA SER 28 HA SER 28 -2.112 1.065 2.287 205 HG SER 28 HG SER 28 -2.623 2.939 3.351 206 HB2 SER 28 2HB SER 28 -0.641 2.039 4.706 207 HB3 SER 28 1HB SER 28 0.049 2.303 3.124 208 H THR 29 H THR 29 -0.593 0.166 0.884 209 HA THR 29 HA THR 29 1.557 -1.423 2.030 210 HB THR 29 HB THR 29 0.027 -3.191 1.801 211 HG1 THR 29 1HG THR 29 1.308 -3.389 -0.721 212 HG21 THR 29 3HG2 THR 29 -0.673 -2.314 -0.999 213 HG22 THR 29 1HG2 THR 29 -1.644 -1.940 0.425 214 HG23 THR 29 2HG2 THR 29 -1.418 -3.620 -0.069 215 H TRP 30 H TRP 30 3.424 -1.430 0.793 216 HA TRP 30 HA TRP 30 3.616 0.722 -1.073 217 HD1 TRP 30 HD TRP 30 5.428 -0.570 2.351 218 HE1 TRP 30 1HE TRP 30 6.265 1.512 3.566 219 HE3 TRP 30 3HE TRP 30 6.161 2.409 -1.687 220 HZ2 TRP 30 2HZ TRP 30 7.096 4.085 2.914 221 HZ3 TRP 30 3HZ TRP 30 6.969 4.717 -1.301 222 HH2 TRP 30 HH TRP 30 7.399 5.521 0.973 223 HB2 TRP 30 2HB TRP 30 5.573 -1.375 -0.155 224 HB3 TRP 30 1HB TRP 30 5.992 -0.179 -1.370 225 H GLU 31 H GLU 31 4.671 -2.649 -1.574 226 HA GLU 31 HA GLU 31 4.186 -2.303 -4.396 227 HB2 GLU 31 2HB GLU 31 5.271 -4.711 -2.928 228 HB3 GLU 31 1HB GLU 31 5.205 -4.504 -4.673 229 HG2 GLU 31 2HG GLU 31 7.398 -4.003 -4.157 230 HG3 GLU 31 1HG GLU 31 6.624 -2.428 -4.311 231 H LYS 32 H LYS 32 3.443 -4.644 -5.345 232 HA LYS 32 HA LYS 32 0.652 -4.499 -4.962 233 HB2 LYS 32 2HB LYS 32 0.502 -6.164 -6.705 234 HB3 LYS 32 1HB LYS 32 1.702 -4.962 -7.149 235 HG2 LYS 32 2HG LYS 32 3.475 -6.521 -6.412 236 HG3 LYS 32 1HG LYS 32 2.235 -7.727 -6.079 237 HD2 LYS 32 2HD LYS 32 1.527 -7.537 -8.470 238 HD3 LYS 32 1HD LYS 32 2.935 -6.510 -8.744 239 HE2 LYS 32 2HE LYS 32 2.931 -9.382 -7.823 240 HE3 LYS 32 1HE LYS 32 3.430 -8.780 -9.401 241 HZ1 LYS 32 3HZ LYS 32 5.382 -9.156 -8.168 242 HZ2 LYS 32 1HZ LYS 32 4.771 -8.376 -6.792 243 HZ3 LYS 32 2HZ LYS 32 5.170 -7.474 -8.172 244 HA PRO 33 HA PRO 33 -0.169 -7.612 -1.914 245 HB2 PRO 33 2HB PRO 33 -2.548 -8.071 -3.669 246 HB3 PRO 33 1HB PRO 33 -2.486 -7.748 -1.917 247 HG2 PRO 33 2HG PRO 33 -3.250 -5.841 -3.542 248 HG3 PRO 33 1HG PRO 33 -2.081 -5.463 -2.262 249 HD2 PRO 33 2HD PRO 33 -1.574 -5.995 -5.176 250 HD3 PRO 33 1HD PRO 33 -0.946 -4.683 -4.151 251 H GLN 34 H GLN 34 -0.667 -9.899 -1.726 252 HA GLN 34 HA GLN 34 0.982 -11.405 -3.511 253 HB2 GLN 34 2HB GLN 34 -0.821 -12.354 -1.268 254 HB3 GLN 34 1HB GLN 34 0.429 -13.306 -2.055 255 HG2 GLN 34 2HG GLN 34 0.967 -10.752 -0.560 256 HG3 GLN 34 1HG GLN 34 1.065 -12.359 0.161 257 HE21 GLN 34 1HE2 GLN 34 3.122 -10.278 -0.289 258 HE22 GLN 34 2HE2 GLN 34 4.378 -11.066 -1.176 259 H GLU 35 H GLU 35 -2.423 -10.873 -3.202 260 HA GLU 35 HA GLU 35 -3.099 -13.070 -4.990 261 HB2 GLU 35 2HB GLU 35 -5.423 -12.418 -4.551 262 HB3 GLU 35 1HB GLU 35 -4.533 -12.639 -3.052 263 HG2 GLU 35 2HG GLU 35 -5.231 -10.639 -2.417 264 HG3 GLU 35 1HG GLU 35 -4.233 -9.938 -3.691 265 H LEU 36 H LEU 36 -2.347 -9.763 -5.128 266 HA LEU 36 HA LEU 36 -3.878 -9.332 -7.569 267 HG LEU 36 HG LEU 36 -2.014 -6.375 -7.496 268 HB2 LEU 36 2HB LEU 36 -4.329 -7.630 -6.060 269 HB3 LEU 36 1HB LEU 36 -2.679 -7.534 -5.492 270 HD11 LEU 36 1HD1 LEU 36 -4.887 -6.677 -8.383 271 HD12 LEU 36 2HD1 LEU 36 -3.479 -7.436 -9.128 272 HD13 LEU 36 3HD1 LEU 36 -3.672 -5.684 -9.188 273 HD21 LEU 36 3HD2 LEU 36 -4.529 -5.182 -6.331 274 HD22 LEU 36 1HD2 LEU 36 -3.262 -4.303 -7.190 275 HD23 LEU 36 2HD2 LEU 36 -2.917 -5.060 -5.634 276 H LYS 37 H LYS 37 -2.850 -10.142 -9.201 277 HA LYS 37 HA LYS 37 -1.462 -10.253 -10.976 278 HB2 LYS 37 2HB LYS 37 0.148 -8.150 -9.532 279 HB3 LYS 37 1HB LYS 37 0.563 -8.788 -11.119 280 HG2 LYS 37 2HG LYS 37 -1.745 -8.048 -11.866 281 HG3 LYS 37 1HG LYS 37 -1.835 -7.160 -10.340 282 HD2 LYS 37 2HD LYS 37 -1.066 -5.673 -12.078 283 HD3 LYS 37 1HD LYS 37 0.257 -5.987 -10.955 284 HE2 LYS 37 2HE LYS 37 1.047 -6.067 -13.249 285 HE3 LYS 37 1HE LYS 37 1.163 -7.657 -12.495 286 HZ1 LYS 37 3HZ LYS 37 0.270 -7.666 -14.801 287 HZ2 LYS 37 1HZ LYS 37 -1.089 -6.820 -14.244 288 HZ3 LYS 37 2HZ LYS 37 -0.763 -8.385 -13.668 289 HA PRO 101 HA PRO 101 -1.038 15.884 0.164 290 H2 PRO 101 1HT PRO 101 -3.775 15.667 0.435 291 H3 PRO 101 2HT PRO 101 -2.871 16.704 -0.452 292 HB2 PRO 101 2HB PRO 101 -1.151 15.171 2.863 293 HB3 PRO 101 1HB PRO 101 -0.451 16.652 2.201 294 HG2 PRO 101 2HG PRO 101 -3.152 16.185 3.358 295 HG3 PRO 101 1HG PRO 101 -2.130 17.632 3.432 296 HD2 PRO 101 2HD PRO 101 -4.260 17.539 1.819 297 HD3 PRO 101 1HD PRO 101 -2.760 18.338 1.305 298 HA PRO 102 HA PRO 102 -2.308 11.575 -0.039 299 HB2 PRO 102 2HB PRO 102 0.412 10.953 -0.808 300 HB3 PRO 102 1HB PRO 102 -1.039 10.942 -1.811 301 HG2 PRO 102 2HG PRO 102 1.010 12.736 -2.101 302 HG3 PRO 102 1HG PRO 102 -0.665 13.063 -2.584 303 HD2 PRO 102 2HD PRO 102 0.810 13.919 -0.125 304 HD3 PRO 102 1HD PRO 102 -0.351 14.828 -1.115 305 HA PRO 103 HA PRO 103 -0.639 10.176 3.838 306 HB2 PRO 103 2HB PRO 103 -1.490 7.458 3.231 307 HB3 PRO 103 1HB PRO 103 -2.203 8.614 4.360 308 HG2 PRO 103 2HG PRO 103 -3.429 7.814 2.073 309 HG3 PRO 103 1HG PRO 103 -3.691 9.407 2.804 310 HD2 PRO 103 2HD PRO 103 -1.928 8.639 0.502 311 HD3 PRO 103 1HD PRO 103 -2.997 10.050 0.679 312 H LEU 104 H LEU 104 1.134 9.187 4.665 313 HA LEU 104 HA LEU 104 3.055 7.977 2.907 314 HG LEU 104 HG LEU 104 3.258 10.495 4.786 315 HB2 LEU 104 2HB LEU 104 3.064 8.321 5.910 316 HB3 LEU 104 1HB LEU 104 4.410 7.704 4.967 317 HD11 LEU 104 1HD1 LEU 104 4.537 10.097 6.830 318 HD12 LEU 104 2HD1 LEU 104 5.409 11.174 5.739 319 HD13 LEU 104 3HD1 LEU 104 5.883 9.480 5.877 320 HD21 LEU 104 3HD2 LEU 104 4.073 9.682 2.625 321 HD22 LEU 104 1HD2 LEU 104 5.611 9.247 3.366 322 HD23 LEU 104 2HD2 LEU 104 5.127 10.941 3.271 323 H ILE 105 H ILE 105 3.751 5.800 2.949 324 HA ILE 105 HA ILE 105 1.768 3.915 3.832 325 HB ILE 105 HB ILE 105 4.592 3.314 2.849 326 HG12 ILE 105 2HG1 ILE 105 3.515 2.622 0.750 327 HG13 ILE 105 1HG1 ILE 105 1.998 3.367 1.287 328 HG21 ILE 105 1HG2 ILE 105 3.711 1.086 2.397 329 HG22 ILE 105 2HG2 ILE 105 2.119 1.565 2.991 330 HG23 ILE 105 3HG2 ILE 105 3.492 1.496 4.097 331 HD11 ILE 105 3HD1 ILE 105 2.665 5.378 0.598 332 HD12 ILE 105 1HD1 ILE 105 4.043 4.574 -0.158 333 HD13 ILE 105 2HD1 ILE 105 4.199 5.231 1.472 334 HA PRO 106 HA PRO 106 3.892 2.902 7.729 335 HB2 PRO 106 2HB PRO 106 2.615 0.586 8.238 336 HB3 PRO 106 1HB PRO 106 1.811 2.151 8.458 337 HG2 PRO 106 2HG PRO 106 1.653 0.260 6.123 338 HG3 PRO 106 1HG PRO 106 0.328 1.083 6.958 339 HD2 PRO 106 2HD PRO 106 1.331 2.004 4.661 340 HD3 PRO 106 1HD PRO 106 0.733 3.088 5.930 341 HA PRO 107 HA PRO 107 6.774 -0.194 6.113 342 HB2 PRO 107 2HB PRO 107 7.907 -0.447 8.770 343 HB3 PRO 107 1HB PRO 107 8.610 0.322 7.345 344 HG2 PRO 107 2HG PRO 107 7.805 1.693 9.576 345 HG3 PRO 107 1HG PRO 107 7.871 2.398 7.949 346 HD2 PRO 107 2HD PRO 107 5.516 1.350 9.477 347 HD3 PRO 107 1HD PRO 107 5.638 2.786 8.435 348 HA PRO 108 HA PRO 108 4.850 -3.910 7.676 349 HB2 PRO 108 2HB PRO 108 6.950 -5.509 6.469 350 HB3 PRO 108 1HB PRO 108 5.273 -5.322 5.952 351 HG2 PRO 108 2HG PRO 108 7.402 -4.361 4.541 352 HG3 PRO 108 1HG PRO 108 5.784 -3.640 4.486 353 HD2 PRO 108 2HD PRO 108 8.201 -2.757 6.018 354 HD3 PRO 108 1HD PRO 108 6.993 -1.780 5.154 355 HA PRO 109 HA PRO 109 7.355 -4.975 11.202 356 HB2 PRO 109 2HB PRO 109 5.616 -7.216 11.739 357 HB3 PRO 109 1HB PRO 109 5.699 -5.663 12.571 358 HG2 PRO 109 2HG PRO 109 3.573 -6.462 11.037 359 HG3 PRO 109 1HG PRO 109 4.007 -4.766 11.317 360 HD2 PRO 109 2HD PRO 109 4.577 -6.509 8.950 361 HD3 PRO 109 1HD PRO 109 4.087 -4.801 9.003 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -14.211 -9.875 8.422 2 H2 GLY 1 2HT GLY 1 -15.460 -9.227 7.482 3 H3 GLY 1 3HT GLY 1 -13.864 -9.157 6.931 4 HA2 GLY 1 1HA GLY 1 -13.783 -11.576 6.798 5 HA3 GLY 1 2HA GLY 1 -15.464 -11.616 7.305 6 H ALA 2 H ALA 2 -16.445 -12.421 5.554 7 HA ALA 2 HA ALA 2 -17.564 -12.353 3.585 8 HB1 ALA 2 1HB ALA 2 -16.266 -9.681 3.076 9 HB2 ALA 2 2HB ALA 2 -17.790 -9.926 3.934 10 HB3 ALA 2 3HB ALA 2 -17.658 -10.363 2.231 11 H THR 3 H THR 3 -14.388 -12.716 3.951 12 HA THR 3 HA THR 3 -12.659 -13.539 2.756 13 HB THR 3 HB THR 3 -13.181 -15.203 1.019 14 HG1 THR 3 1HG THR 3 -15.499 -13.764 0.859 15 HG21 THR 3 3HG2 THR 3 -14.536 -16.687 2.396 16 HG22 THR 3 1HG2 THR 3 -15.068 -15.316 3.371 17 HG23 THR 3 2HG2 THR 3 -13.373 -15.803 3.384 18 H ALA 4 H ALA 4 -11.924 -13.891 0.225 19 HA ALA 4 HA ALA 4 -11.268 -12.981 -1.725 20 HB1 ALA 4 1HB ALA 4 -12.669 -11.352 -2.878 21 HB2 ALA 4 2HB ALA 4 -13.629 -11.122 -1.415 22 HB3 ALA 4 3HB ALA 4 -13.639 -12.680 -2.242 23 H VAL 5 H VAL 5 -9.393 -12.338 -0.582 24 HA VAL 5 HA VAL 5 -9.128 -9.725 0.526 25 HB VAL 5 HB VAL 5 -6.627 -10.209 0.341 26 HG11 VAL 5 1HG1 VAL 5 -7.953 -10.631 2.369 27 HG12 VAL 5 2HG1 VAL 5 -6.678 -11.835 2.157 28 HG13 VAL 5 3HG1 VAL 5 -8.352 -12.242 1.768 29 HG21 VAL 5 3HG2 VAL 5 -7.666 -12.890 -0.593 30 HG22 VAL 5 1HG2 VAL 5 -6.006 -12.556 -0.092 31 HG23 VAL 5 2HG2 VAL 5 -6.669 -11.768 -1.526 32 H SER 6 H SER 6 -9.339 -7.952 -0.650 33 HA SER 6 HA SER 6 -7.659 -7.344 -2.842 34 HG SER 6 HG SER 6 -9.520 -7.698 -5.727 35 HB2 SER 6 2HB SER 6 -9.314 -8.919 -3.935 36 HB3 SER 6 1HB SER 6 -10.586 -7.773 -3.528 37 H GLU 7 H GLU 7 -9.649 -5.603 -4.051 38 HA GLU 7 HA GLU 7 -10.328 -3.446 -3.901 39 HB2 GLU 7 2HB GLU 7 -10.616 -4.296 -1.084 40 HB3 GLU 7 1HB GLU 7 -10.377 -2.572 -1.326 41 HG2 GLU 7 2HG GLU 7 -12.422 -3.967 -2.973 42 HG3 GLU 7 1HG GLU 7 -12.790 -3.614 -1.283 43 H TRP 8 H TRP 8 -8.378 -3.068 -4.908 44 HA TRP 8 HA TRP 8 -6.207 -2.044 -3.179 45 HD1 TRP 8 HD TRP 8 -5.811 -6.156 -5.538 46 HE1 TRP 8 1HE TRP 8 -5.523 -7.765 -3.537 47 HE3 TRP 8 3HE TRP 8 -5.049 -2.704 -1.932 48 HZ2 TRP 8 2HZ TRP 8 -5.059 -7.545 -0.721 49 HZ3 TRP 8 3HZ TRP 8 -4.789 -3.442 0.392 50 HH2 TRP 8 HH TRP 8 -4.731 -5.787 1.000 51 HB2 TRP 8 2HB TRP 8 -5.946 -3.574 -5.810 52 HB3 TRP 8 1HB TRP 8 -4.609 -2.909 -4.875 53 H THR 9 H THR 9 -6.188 0.150 -3.531 54 HA THR 9 HA THR 9 -6.676 1.064 -6.261 55 HB THR 9 HB THR 9 -7.984 2.435 -5.078 56 HG1 THR 9 1HG THR 9 -7.217 4.380 -5.318 57 HG21 THR 9 3HG2 THR 9 -7.514 3.351 -2.826 58 HG22 THR 9 1HG2 THR 9 -5.978 2.485 -2.836 59 HG23 THR 9 2HG2 THR 9 -7.500 1.584 -2.855 60 H GLU 10 H GLU 10 -5.520 2.981 -6.835 61 HA GLU 10 HA GLU 10 -2.653 2.346 -6.681 62 HB2 GLU 10 2HB GLU 10 -2.581 3.594 -8.885 63 HB3 GLU 10 1HB GLU 10 -3.478 2.085 -8.866 64 HG2 GLU 10 2HG GLU 10 -5.567 3.376 -8.588 65 HG3 GLU 10 1HG GLU 10 -4.626 4.851 -8.788 66 H TYR 11 H TYR 11 -1.542 3.608 -5.440 67 HA TYR 11 HA TYR 11 -2.306 6.443 -5.186 68 HD1 TYR 11 2HD TYR 11 -4.429 4.780 -4.158 69 HD2 TYR 11 1HD TYR 11 -2.364 7.257 -1.387 70 HE1 TYR 11 2HE TYR 11 -6.580 5.653 -3.344 71 HE2 TYR 11 1HE TYR 11 -4.507 8.131 -0.571 72 HH TYR 11 HH TYR 11 -7.511 6.733 -1.384 73 HB2 TYR 11 2HB TYR 11 -1.883 4.378 -3.116 74 HB3 TYR 11 1HB TYR 11 -1.132 5.933 -2.789 75 H LYS 12 H LYS 12 -0.796 7.554 -6.196 76 HA LYS 12 HA LYS 12 2.003 6.775 -5.867 77 HB2 LYS 12 2HB LYS 12 2.449 8.467 -7.636 78 HB3 LYS 12 1HB LYS 12 1.374 7.179 -8.157 79 HG2 LYS 12 2HG LYS 12 -0.544 8.638 -7.902 80 HG3 LYS 12 1HG LYS 12 0.493 9.923 -7.280 81 HD2 LYS 12 2HD LYS 12 1.665 10.033 -9.397 82 HD3 LYS 12 1HD LYS 12 0.698 8.693 -10.021 83 HE2 LYS 12 2HE LYS 12 -1.334 10.077 -9.696 84 HE3 LYS 12 1HE LYS 12 -0.300 11.419 -9.206 85 HZ1 LYS 12 3HZ LYS 12 0.614 11.582 -11.335 86 HZ2 LYS 12 1HZ LYS 12 -1.049 11.365 -11.601 87 HZ3 LYS 12 2HZ LYS 12 0.020 10.066 -11.816 88 H THR 13 H THR 13 3.222 7.785 -4.406 89 HA THR 13 HA THR 13 2.122 10.027 -2.957 90 HB THR 13 HB THR 13 4.071 9.846 -1.512 91 HG1 THR 13 1HG THR 13 5.834 8.801 -2.083 92 HG21 THR 13 3HG2 THR 13 2.930 7.138 -2.198 93 HG22 THR 13 1HG2 THR 13 2.229 8.309 -1.086 94 HG23 THR 13 2HG2 THR 13 3.770 7.545 -0.705 95 H ALA 14 H ALA 14 3.698 11.866 -2.421 96 HA ALA 14 HA ALA 14 4.309 13.237 -4.829 97 HB1 ALA 14 1HB ALA 14 5.074 13.915 -1.987 98 HB2 ALA 14 2HB ALA 14 3.590 14.410 -2.806 99 HB3 ALA 14 3HB ALA 14 5.152 15.007 -3.368 100 H ASP 15 H ASP 15 5.991 10.951 -3.030 101 HA ASP 15 HA ASP 15 8.663 11.873 -3.586 102 HB2 ASP 15 2HB ASP 15 7.911 9.069 -2.785 103 HB3 ASP 15 1HB ASP 15 9.399 9.943 -2.447 104 H GLY 16 H GLY 16 6.256 10.190 -5.295 105 HA2 GLY 16 2HA GLY 16 6.422 9.552 -7.562 106 HA3 GLY 16 1HA GLY 16 8.169 9.452 -7.386 107 H LYS 17 H LYS 17 6.067 8.027 -5.021 108 HA LYS 17 HA LYS 17 6.997 5.377 -5.887 109 HB2 LYS 17 2HB LYS 17 6.043 6.388 -3.203 110 HB3 LYS 17 1HB LYS 17 6.321 4.689 -3.552 111 HG2 LYS 17 2HG LYS 17 8.454 6.785 -3.858 112 HG3 LYS 17 1HG LYS 17 8.182 5.890 -2.362 113 HD2 LYS 17 2HD LYS 17 8.827 4.667 -5.048 114 HD3 LYS 17 1HD LYS 17 9.974 4.885 -3.723 115 HE2 LYS 17 2HE LYS 17 8.543 3.449 -2.305 116 HE3 LYS 17 1HE LYS 17 7.488 3.168 -3.691 117 HZ1 LYS 17 3HZ LYS 17 9.484 2.245 -4.851 118 HZ2 LYS 17 1HZ LYS 17 8.972 1.345 -3.507 119 HZ3 LYS 17 2HZ LYS 17 10.326 2.345 -3.383 120 H THR 18 H THR 18 5.592 4.065 -6.820 121 HA THR 18 HA THR 18 2.740 4.577 -6.687 122 HB THR 18 HB THR 18 4.272 2.382 -8.099 123 HG1 THR 18 1HG THR 18 3.015 4.427 -9.520 124 HG21 THR 18 3HG2 THR 18 1.383 3.231 -8.312 125 HG22 THR 18 1HG2 THR 18 1.989 1.690 -7.703 126 HG23 THR 18 2HG2 THR 18 2.177 2.102 -9.410 127 H TYR 19 H TYR 19 1.873 3.985 -4.760 128 HA TYR 19 HA TYR 19 2.447 1.237 -3.887 129 HD1 TYR 19 2HD TYR 19 0.461 1.644 -0.622 130 HD2 TYR 19 1HD TYR 19 1.767 5.347 -2.248 131 HE1 TYR 19 2HE TYR 19 -1.146 2.806 0.816 132 HE2 TYR 19 1HE TYR 19 0.172 6.536 -0.808 133 HH TYR 19 HH TYR 19 -1.348 5.162 1.807 134 HB2 TYR 19 2HB TYR 19 2.616 1.841 -1.724 135 HB3 TYR 19 1HB TYR 19 3.134 3.350 -2.445 136 H TYR 20 H TYR 20 0.668 0.306 -2.559 137 HA TYR 20 HA TYR 20 -1.862 0.873 -3.943 138 HD1 TYR 20 1HD TYR 20 1.182 -1.336 -4.214 139 HD2 TYR 20 2HD TYR 20 -2.806 -1.897 -5.600 140 HE1 TYR 20 1HE TYR 20 2.053 -1.954 -6.428 141 HE2 TYR 20 2HE TYR 20 -1.940 -2.519 -7.827 142 HH TYR 20 HH TYR 20 0.336 -1.954 -9.145 143 HB2 TYR 20 2HB TYR 20 -0.915 -1.699 -2.641 144 HB3 TYR 20 1HB TYR 20 -2.481 -1.453 -3.393 145 H TYR 21 H TYR 21 -3.749 0.981 -2.778 146 HA TYR 21 HA TYR 21 -3.353 1.368 0.111 147 HD1 TYR 21 1HD TYR 21 -3.292 4.213 1.065 148 HD2 TYR 21 2HD TYR 21 -7.156 2.837 -0.078 149 HE1 TYR 21 1HE TYR 21 -4.260 5.267 3.063 150 HE2 TYR 21 2HE TYR 21 -8.131 3.890 1.923 151 HH TYR 21 HH TYR 21 -7.442 4.657 4.120 152 HB2 TYR 21 2HB TYR 21 -3.768 3.463 -1.243 153 HB3 TYR 21 1HB TYR 21 -5.345 2.806 -1.658 154 H ASN 22 H ASN 22 -4.305 -0.040 1.229 155 HA ASN 22 HA ASN 22 -5.950 -2.047 0.038 156 HB2 ASN 22 2HB ASN 22 -4.271 -2.698 1.611 157 HB3 ASN 22 1HB ASN 22 -4.808 -1.524 2.795 158 HD21 ASN 22 1HD2 ASN 22 -6.524 -2.041 4.142 159 HD22 ASN 22 2HD2 ASN 22 -7.067 -3.675 4.336 160 H ASN 23 H ASN 23 -7.984 -1.318 -0.430 161 HA ASN 23 HA ASN 23 -9.555 0.080 1.562 162 HB2 ASN 23 2HB ASN 23 -10.420 -1.241 -1.028 163 HB3 ASN 23 1HB ASN 23 -11.440 -0.225 -0.020 164 HD21 ASN 23 1HD2 ASN 23 -10.754 0.117 -2.789 165 HD22 ASN 23 2HD2 ASN 23 -9.956 1.647 -2.918 166 H ARG 24 H ARG 24 -8.535 -3.032 1.001 167 HA ARG 24 HA ARG 24 -10.593 -4.714 1.522 168 HE ARG 24 HE ARG 24 -6.281 -6.182 2.713 169 HB2 ARG 24 2HB ARG 24 -8.463 -5.609 0.979 170 HB3 ARG 24 1HB ARG 24 -7.743 -4.908 2.421 171 HG2 ARG 24 2HG ARG 24 -8.998 -6.431 3.828 172 HG3 ARG 24 1HG ARG 24 -9.823 -7.092 2.414 173 HD2 ARG 24 2HD ARG 24 -7.980 -8.526 3.209 174 HD3 ARG 24 1HD ARG 24 -7.756 -7.972 1.553 175 HH11 ARG 24 1HH1 ARG 24 -6.645 -9.497 3.784 176 HH12 ARG 24 2HH1 ARG 24 -5.023 -9.624 4.381 177 HH21 ARG 24 1HH2 ARG 24 -4.117 -6.350 3.518 178 HH22 ARG 24 2HH2 ARG 24 -3.584 -7.844 4.223 179 H THR 25 H THR 25 -8.411 -3.412 3.964 180 HA THR 25 HA THR 25 -10.565 -3.502 5.962 181 HB THR 25 HB THR 25 -8.672 -4.071 7.622 182 HG1 THR 25 1HG THR 25 -6.777 -4.602 6.811 183 HG21 THR 25 3HG2 THR 25 -10.442 -5.655 7.089 184 HG22 THR 25 1HG2 THR 25 -8.892 -6.496 7.199 185 HG23 THR 25 2HG2 THR 25 -9.595 -6.138 5.620 186 H LEU 26 H LEU 26 -9.182 -1.430 4.237 187 HA LEU 26 HA LEU 26 -8.279 0.639 4.304 188 HG LEU 26 HG LEU 26 -9.777 3.035 6.642 189 HB2 LEU 26 2HB LEU 26 -10.131 0.686 6.229 190 HB3 LEU 26 1HB LEU 26 -8.714 0.906 7.238 191 HD11 LEU 26 1HD1 LEU 26 -7.774 4.203 5.824 192 HD12 LEU 26 2HD1 LEU 26 -7.044 2.641 5.439 193 HD13 LEU 26 3HD1 LEU 26 -7.414 3.056 7.112 194 HD21 LEU 26 3HD2 LEU 26 -9.696 3.858 4.337 195 HD22 LEU 26 1HD2 LEU 26 -10.680 2.403 4.466 196 HD23 LEU 26 2HD2 LEU 26 -9.047 2.306 3.803 197 H GLU 27 H GLU 27 -6.251 -0.234 3.865 198 HA GLU 27 HA GLU 27 -4.291 0.081 6.022 199 HB2 GLU 27 2HB GLU 27 -4.791 -2.351 5.936 200 HB3 GLU 27 1HB GLU 27 -4.416 -2.356 4.221 201 HG2 GLU 27 2HG GLU 27 -2.594 -3.244 5.569 202 HG3 GLU 27 1HG GLU 27 -2.128 -1.789 4.665 203 H SER 28 H SER 28 -2.038 0.208 5.090 204 HA SER 28 HA SER 28 -2.059 1.094 2.297 205 HG SER 28 HG SER 28 -2.023 3.324 2.957 206 HB2 SER 28 2HB SER 28 -1.103 2.183 4.762 207 HB3 SER 28 1HB SER 28 0.271 1.853 3.740 208 H THR 29 H THR 29 -0.567 0.155 0.876 209 HA THR 29 HA THR 29 1.551 -1.501 2.005 210 HB THR 29 HB THR 29 0.016 -3.248 1.623 211 HG1 THR 29 1HG THR 29 1.378 -3.270 -0.852 212 HG21 THR 29 3HG2 THR 29 -1.630 -1.977 0.296 213 HG22 THR 29 1HG2 THR 29 -1.291 -3.566 -0.392 214 HG23 THR 29 2HG2 THR 29 -0.575 -2.120 -1.110 215 H TRP 30 H TRP 30 3.425 -1.462 0.789 216 HA TRP 30 HA TRP 30 3.635 0.793 -0.942 217 HD1 TRP 30 HD TRP 30 5.378 -0.678 2.454 218 HE1 TRP 30 1HE TRP 30 6.112 1.361 3.797 219 HE3 TRP 30 3HE TRP 30 6.149 2.553 -1.410 220 HZ2 TRP 30 2HZ TRP 30 6.876 4.000 3.308 221 HZ3 TRP 30 3HZ TRP 30 6.864 4.859 -0.867 222 HH2 TRP 30 HH TRP 30 7.200 5.551 1.457 223 HB2 TRP 30 2HB TRP 30 5.603 -1.330 -0.117 224 HB3 TRP 30 1HB TRP 30 6.019 -0.043 -1.242 225 H GLU 31 H GLU 31 4.916 -2.435 -1.752 226 HA GLU 31 HA GLU 31 4.123 -1.781 -4.496 227 HB2 GLU 31 2HB GLU 31 6.368 -3.579 -3.557 228 HB3 GLU 31 1HB GLU 31 6.001 -3.147 -5.221 229 HG2 GLU 31 2HG GLU 31 6.500 -0.844 -4.808 230 HG3 GLU 31 1HG GLU 31 6.748 -1.174 -3.094 231 H LYS 32 H LYS 32 4.785 -4.581 -5.344 232 HA LYS 32 HA LYS 32 2.165 -5.300 -5.726 233 HB2 LYS 32 2HB LYS 32 4.715 -6.854 -5.997 234 HB3 LYS 32 1HB LYS 32 3.157 -7.574 -6.374 235 HG2 LYS 32 2HG LYS 32 2.761 -5.841 -8.044 236 HG3 LYS 32 1HG LYS 32 4.325 -5.120 -7.659 237 HD2 LYS 32 2HD LYS 32 5.495 -7.032 -8.470 238 HD3 LYS 32 1HD LYS 32 4.004 -7.969 -8.590 239 HE2 LYS 32 2HE LYS 32 4.674 -5.516 -10.212 240 HE3 LYS 32 1HE LYS 32 4.786 -7.181 -10.782 241 HZ1 LYS 32 3HZ LYS 32 2.297 -5.825 -9.901 242 HZ2 LYS 32 1HZ LYS 32 2.404 -7.425 -10.451 243 HZ3 LYS 32 2HZ LYS 32 2.727 -6.135 -11.507 244 HA PRO 33 HA PRO 33 1.015 -7.426 -1.918 245 HB2 PRO 33 2HB PRO 33 -1.444 -7.620 -3.586 246 HB3 PRO 33 1HB PRO 33 -1.268 -7.077 -1.905 247 HG2 PRO 33 2HG PRO 33 -1.730 -5.310 -3.813 248 HG3 PRO 33 1HG PRO 33 -0.532 -4.956 -2.553 249 HD2 PRO 33 2HD PRO 33 -0.081 -5.935 -5.360 250 HD3 PRO 33 1HD PRO 33 0.742 -4.624 -4.484 251 H GLN 34 H GLN 34 0.748 -9.628 -1.535 252 HA GLN 34 HA GLN 34 1.759 -11.433 -3.385 253 HB2 GLN 34 2HB GLN 34 -0.056 -12.030 -1.045 254 HB3 GLN 34 1HB GLN 34 0.880 -13.228 -1.929 255 HG2 GLN 34 2HG GLN 34 2.918 -11.814 -1.297 256 HG3 GLN 34 1HG GLN 34 1.850 -11.050 -0.120 257 HE21 GLN 34 1HE2 GLN 34 1.077 -12.265 1.620 258 HE22 GLN 34 2HE2 GLN 34 1.789 -13.779 2.064 259 H GLU 35 H GLU 35 -1.585 -10.567 -2.742 260 HA GLU 35 HA GLU 35 -2.513 -12.471 -4.749 261 HB2 GLU 35 2HB GLU 35 -4.008 -10.674 -2.837 262 HB3 GLU 35 1HB GLU 35 -4.779 -11.733 -4.008 263 HG2 GLU 35 2HG GLU 35 -3.003 -12.583 -1.736 264 HG3 GLU 35 1HG GLU 35 -4.759 -12.747 -1.814 265 H LEU 36 H LEU 36 -0.951 -10.033 -5.370 266 HA LEU 36 HA LEU 36 -2.552 -9.100 -7.576 267 HG LEU 36 HG LEU 36 -1.437 -6.039 -7.492 268 HB2 LEU 36 2HB LEU 36 -3.301 -7.633 -5.754 269 HB3 LEU 36 1HB LEU 36 -1.641 -7.203 -5.398 270 HD11 LEU 36 1HD1 LEU 36 -2.856 -7.462 -8.882 271 HD12 LEU 36 2HD1 LEU 36 -3.332 -5.770 -9.017 272 HD13 LEU 36 3HD1 LEU 36 -4.286 -6.879 -8.031 273 HD21 LEU 36 3HD2 LEU 36 -3.004 -4.225 -7.084 274 HD22 LEU 36 1HD2 LEU 36 -2.338 -4.839 -5.570 275 HD23 LEU 36 2HD2 LEU 36 -3.974 -5.283 -6.059 276 H LYS 37 H LYS 37 -0.315 -10.654 -7.500 277 HA LYS 37 HA LYS 37 2.038 -9.013 -7.921 278 HB2 LYS 37 2HB LYS 37 1.628 -12.004 -8.102 279 HB3 LYS 37 1HB LYS 37 3.177 -11.192 -8.277 280 HG2 LYS 37 2HG LYS 37 3.081 -10.414 -6.001 281 HG3 LYS 37 1HG LYS 37 1.455 -11.060 -5.812 282 HD2 LYS 37 2HD LYS 37 2.831 -12.647 -4.777 283 HD3 LYS 37 1HD LYS 37 2.472 -13.338 -6.358 284 HE2 LYS 37 2HE LYS 37 4.990 -11.818 -5.694 285 HE3 LYS 37 1HE LYS 37 4.842 -13.573 -5.664 286 HZ1 LYS 37 3HZ LYS 37 4.637 -11.772 -8.005 287 HZ2 LYS 37 1HZ LYS 37 4.156 -13.397 -8.050 288 HZ3 LYS 37 2HZ LYS 37 5.774 -13.000 -7.733 289 HA PRO 101 HA PRO 101 -2.266 14.961 -0.981 290 H2 PRO 101 1HT PRO 101 -4.801 14.626 0.172 291 H3 PRO 101 2HT PRO 101 -4.357 15.343 -1.231 292 HB2 PRO 101 2HB PRO 101 -1.797 14.759 1.829 293 HB3 PRO 101 1HB PRO 101 -1.229 16.015 0.717 294 HG2 PRO 101 2HG PRO 101 -3.606 15.997 2.489 295 HG3 PRO 101 1HG PRO 101 -2.655 17.367 1.890 296 HD2 PRO 101 2HD PRO 101 -5.103 16.872 0.929 297 HD3 PRO 101 1HD PRO 101 -3.806 17.434 -0.142 298 HA PRO 102 HA PRO 102 -2.849 10.612 -0.260 299 HB2 PRO 102 2HB PRO 102 -0.035 10.145 -0.785 300 HB3 PRO 102 1HB PRO 102 -1.417 9.829 -1.837 301 HG2 PRO 102 2HG PRO 102 0.467 11.745 -2.344 302 HG3 PRO 102 1HG PRO 102 -1.207 11.815 -2.929 303 HD2 PRO 102 2HD PRO 102 0.040 13.208 -0.586 304 HD3 PRO 102 1HD PRO 102 -1.132 13.825 -1.770 305 HA PRO 103 HA PRO 103 -1.183 9.860 3.820 306 HB2 PRO 103 2HB PRO 103 -1.889 7.059 3.512 307 HB3 PRO 103 1HB PRO 103 -2.662 8.285 4.520 308 HG2 PRO 103 2HG PRO 103 -3.849 7.169 2.332 309 HG3 PRO 103 1HG PRO 103 -4.207 8.807 2.910 310 HD2 PRO 103 2HD PRO 103 -2.431 7.940 0.657 311 HD3 PRO 103 1HD PRO 103 -3.565 9.308 0.739 312 H LEU 104 H LEU 104 0.707 9.021 4.699 313 HA LEU 104 HA LEU 104 2.567 7.754 2.912 314 HG LEU 104 HG LEU 104 1.710 9.002 6.268 315 HB2 LEU 104 2HB LEU 104 4.047 7.661 4.937 316 HB3 LEU 104 1HB LEU 104 3.536 9.260 4.442 317 HD11 LEU 104 1HD1 LEU 104 3.705 6.960 7.232 318 HD12 LEU 104 2HD1 LEU 104 2.056 6.629 6.705 319 HD13 LEU 104 3HD1 LEU 104 2.340 7.600 8.151 320 HD21 LEU 104 3HD2 LEU 104 3.246 9.881 7.961 321 HD22 LEU 104 1HD2 LEU 104 3.530 10.602 6.377 322 HD23 LEU 104 2HD2 LEU 104 4.618 9.349 6.983 323 H ILE 105 H ILE 105 3.385 5.647 3.047 324 HA ILE 105 HA ILE 105 1.593 3.688 4.150 325 HB ILE 105 HB ILE 105 4.385 3.160 3.053 326 HG12 ILE 105 2HG1 ILE 105 3.229 2.414 0.986 327 HG13 ILE 105 1HG1 ILE 105 1.739 3.176 1.578 328 HG21 ILE 105 1HG2 ILE 105 3.518 0.906 2.662 329 HG22 ILE 105 2HG2 ILE 105 1.960 1.374 3.340 330 HG23 ILE 105 3HG2 ILE 105 3.390 1.343 4.367 331 HD11 ILE 105 3HD1 ILE 105 3.845 4.345 0.093 332 HD12 ILE 105 1HD1 ILE 105 3.843 5.101 1.687 333 HD13 ILE 105 2HD1 ILE 105 2.373 5.115 0.698 334 HA PRO 106 HA PRO 106 4.099 2.996 7.899 335 HB2 PRO 106 2HB PRO 106 3.018 0.617 8.619 336 HB3 PRO 106 1HB PRO 106 2.186 2.149 8.913 337 HG2 PRO 106 2HG PRO 106 1.752 0.155 6.718 338 HG3 PRO 106 1HG PRO 106 0.556 1.052 7.661 339 HD2 PRO 106 2HD PRO 106 1.313 1.762 5.159 340 HD3 PRO 106 1HD PRO 106 0.752 2.929 6.372 341 HA PRO 107 HA PRO 107 7.041 0.227 5.999 342 HB2 PRO 107 2HB PRO 107 8.772 -0.109 8.036 343 HB3 PRO 107 1HB PRO 107 8.635 1.426 7.174 344 HG2 PRO 107 2HG PRO 107 7.509 0.637 9.828 345 HG3 PRO 107 1HG PRO 107 8.237 2.174 9.331 346 HD2 PRO 107 2HD PRO 107 5.523 1.722 9.493 347 HD3 PRO 107 1HD PRO 107 6.267 2.957 8.457 348 HA PRO 108 HA PRO 108 5.710 -3.787 7.248 349 HB2 PRO 108 2HB PRO 108 7.883 -5.013 5.784 350 HB3 PRO 108 1HB PRO 108 6.185 -4.886 5.325 351 HG2 PRO 108 2HG PRO 108 8.222 -3.568 4.049 352 HG3 PRO 108 1HG PRO 108 6.538 -3.016 4.072 353 HD2 PRO 108 2HD PRO 108 8.863 -2.079 5.700 354 HD3 PRO 108 1HD PRO 108 7.537 -1.146 4.975 355 HA PRO 109 HA PRO 109 8.471 -5.156 10.490 356 HB2 PRO 109 2HB PRO 109 6.873 -7.569 10.701 357 HB3 PRO 109 1HB PRO 109 6.948 -6.194 11.805 358 HG2 PRO 109 2HG PRO 109 4.756 -6.787 10.308 359 HG3 PRO 109 1HG PRO 109 5.171 -5.143 10.829 360 HD2 PRO 109 2HD PRO 109 5.633 -6.467 8.173 361 HD3 PRO 109 1HD PRO 109 5.069 -4.817 8.526 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -23.118 -10.476 2.237 2 H2 GLY 1 2HT GLY 1 -22.372 -9.432 1.122 3 H3 GLY 1 3HT GLY 1 -21.819 -9.493 2.719 4 HA2 GLY 1 1HA GLY 1 -21.012 -11.710 2.442 5 HA3 GLY 1 2HA GLY 1 -21.719 -11.783 0.833 6 H ALA 2 H ALA 2 -18.937 -11.126 2.600 7 HA ALA 2 HA ALA 2 -17.629 -10.042 0.196 8 HB1 ALA 2 1HB ALA 2 -18.046 -8.136 1.675 9 HB2 ALA 2 2HB ALA 2 -16.319 -8.473 1.548 10 HB3 ALA 2 3HB ALA 2 -17.211 -8.965 2.989 11 H THR 3 H THR 3 -15.363 -10.561 0.045 12 HA THR 3 HA THR 3 -14.078 -12.156 2.023 13 HB THR 3 HB THR 3 -15.738 -13.796 1.101 14 HG1 THR 3 1HG THR 3 -13.873 -15.340 0.421 15 HG21 THR 3 3HG2 THR 3 -15.312 -14.741 -1.148 16 HG22 THR 3 1HG2 THR 3 -14.145 -13.453 -1.445 17 HG23 THR 3 2HG2 THR 3 -15.849 -13.062 -1.206 18 H ALA 4 H ALA 4 -12.108 -13.311 0.864 19 HA ALA 4 HA ALA 4 -10.166 -13.154 -0.282 20 HB1 ALA 4 1HB ALA 4 -11.752 -11.614 -2.332 21 HB2 ALA 4 2HB ALA 4 -11.617 -13.369 -2.257 22 HB3 ALA 4 3HB ALA 4 -10.189 -12.390 -2.576 23 H VAL 5 H VAL 5 -8.607 -11.512 -1.357 24 HA VAL 5 HA VAL 5 -8.877 -8.947 0.058 25 HB VAL 5 HB VAL 5 -6.382 -8.729 -0.180 26 HG11 VAL 5 1HG1 VAL 5 -7.428 -11.006 1.492 27 HG12 VAL 5 2HG1 VAL 5 -7.423 -9.298 1.934 28 HG13 VAL 5 3HG1 VAL 5 -5.900 -10.169 1.742 29 HG21 VAL 5 3HG2 VAL 5 -5.081 -10.786 -0.463 30 HG22 VAL 5 1HG2 VAL 5 -5.993 -10.383 -1.914 31 HG23 VAL 5 2HG2 VAL 5 -6.561 -11.664 -0.844 32 H SER 6 H SER 6 -9.238 -7.266 -1.108 33 HA SER 6 HA SER 6 -8.025 -6.673 -3.575 34 HG SER 6 HG SER 6 -9.461 -7.247 -6.052 35 HB2 SER 6 2HB SER 6 -9.646 -8.438 -4.333 36 HB3 SER 6 1HB SER 6 -10.963 -7.423 -3.760 37 H GLU 7 H GLU 7 -10.304 -5.121 -4.507 38 HA GLU 7 HA GLU 7 -10.832 -2.917 -4.378 39 HB2 GLU 7 2HB GLU 7 -10.858 -3.379 -1.383 40 HB3 GLU 7 1HB GLU 7 -11.567 -2.005 -2.218 41 HG2 GLU 7 2HG GLU 7 -12.430 -4.868 -2.564 42 HG3 GLU 7 1HG GLU 7 -13.226 -3.688 -1.521 43 H TRP 8 H TRP 8 -8.758 -2.557 -5.218 44 HA TRP 8 HA TRP 8 -6.724 -1.603 -3.287 45 HD1 TRP 8 HD TRP 8 -6.455 -5.577 -5.830 46 HE1 TRP 8 1HE TRP 8 -6.259 -7.349 -3.967 47 HE3 TRP 8 3HE TRP 8 -5.387 -2.500 -1.944 48 HZ2 TRP 8 2HZ TRP 8 -5.740 -7.409 -1.170 49 HZ3 TRP 8 3HZ TRP 8 -5.124 -3.464 0.301 50 HH2 TRP 8 HH TRP 8 -5.248 -5.850 0.692 51 HB2 TRP 8 2HB TRP 8 -6.287 -3.017 -5.948 52 HB3 TRP 8 1HB TRP 8 -5.020 -2.446 -4.874 53 H THR 9 H THR 9 -6.249 0.503 -3.598 54 HA THR 9 HA THR 9 -6.691 1.589 -6.275 55 HB THR 9 HB THR 9 -7.962 2.956 -5.018 56 HG1 THR 9 1HG THR 9 -6.700 4.411 -6.018 57 HG21 THR 9 3HG2 THR 9 -5.916 2.944 -2.810 58 HG22 THR 9 1HG2 THR 9 -7.414 2.003 -2.818 59 HG23 THR 9 2HG2 THR 9 -7.480 3.765 -2.756 60 H GLU 10 H GLU 10 -5.438 3.422 -6.722 61 HA GLU 10 HA GLU 10 -2.590 2.745 -6.424 62 HB2 GLU 10 2HB GLU 10 -2.326 3.911 -8.616 63 HB3 GLU 10 1HB GLU 10 -3.323 2.477 -8.656 64 HG2 GLU 10 2HG GLU 10 -4.460 5.246 -8.505 65 HG3 GLU 10 1HG GLU 10 -4.146 4.411 -10.024 66 H TYR 11 H TYR 11 -1.514 4.017 -5.178 67 HA TYR 11 HA TYR 11 -2.199 6.878 -5.097 68 HD1 TYR 11 2HD TYR 11 -4.280 4.796 -3.500 69 HD2 TYR 11 1HD TYR 11 -2.435 8.287 -1.903 70 HE1 TYR 11 2HE TYR 11 -6.481 5.643 -2.796 71 HE2 TYR 11 1HE TYR 11 -4.627 9.135 -1.210 72 HH TYR 11 HH TYR 11 -7.425 7.194 -1.196 73 HB2 TYR 11 2HB TYR 11 -1.756 4.949 -2.884 74 HB3 TYR 11 1HB TYR 11 -1.090 6.567 -2.679 75 H LYS 12 H LYS 12 -0.674 8.016 -5.961 76 HA LYS 12 HA LYS 12 2.105 7.084 -5.848 77 HB2 LYS 12 2HB LYS 12 0.804 9.168 -7.615 78 HB3 LYS 12 1HB LYS 12 2.495 8.704 -7.678 79 HG2 LYS 12 2HG LYS 12 1.937 6.501 -8.422 80 HG3 LYS 12 1HG LYS 12 0.214 6.813 -8.190 81 HD2 LYS 12 2HD LYS 12 1.996 8.318 -10.104 82 HD3 LYS 12 1HD LYS 12 0.923 6.992 -10.557 83 HE2 LYS 12 2HE LYS 12 -1.008 8.280 -9.807 84 HE3 LYS 12 1HE LYS 12 0.051 9.596 -9.294 85 HZ1 LYS 12 3HZ LYS 12 -0.112 8.628 -12.093 86 HZ2 LYS 12 1HZ LYS 12 0.647 10.034 -11.532 87 HZ3 LYS 12 2HZ LYS 12 -1.040 9.918 -11.495 88 H THR 13 H THR 13 3.241 7.919 -4.239 89 HA THR 13 HA THR 13 2.472 10.401 -2.982 90 HB THR 13 HB THR 13 4.386 9.988 -1.485 91 HG1 THR 13 1HG THR 13 5.886 8.531 -1.930 92 HG21 THR 13 3HG2 THR 13 3.588 7.847 -0.524 93 HG22 THR 13 1HG2 THR 13 2.646 7.569 -1.987 94 HG23 THR 13 2HG2 THR 13 2.269 8.938 -0.942 95 H ALA 14 H ALA 14 4.447 11.928 -2.447 96 HA ALA 14 HA ALA 14 5.147 13.085 -4.964 97 HB1 ALA 14 1HB ALA 14 6.080 13.857 -2.199 98 HB2 ALA 14 2HB ALA 14 4.602 14.425 -2.975 99 HB3 ALA 14 3HB ALA 14 6.170 14.844 -3.657 100 H ASP 15 H ASP 15 6.486 10.617 -3.223 101 HA ASP 15 HA ASP 15 9.262 11.139 -3.858 102 HB2 ASP 15 2HB ASP 15 8.201 8.469 -2.981 103 HB3 ASP 15 1HB ASP 15 9.764 9.204 -2.640 104 H GLY 16 H GLY 16 6.615 10.200 -5.571 105 HA2 GLY 16 2HA GLY 16 6.476 9.445 -7.760 106 HA3 GLY 16 1HA GLY 16 8.214 9.171 -7.743 107 H LYS 17 H LYS 17 6.074 7.889 -5.307 108 HA LYS 17 HA LYS 17 6.868 5.195 -6.160 109 HB2 LYS 17 2HB LYS 17 6.070 6.259 -3.445 110 HB3 LYS 17 1HB LYS 17 6.392 4.563 -3.782 111 HG2 LYS 17 2HG LYS 17 8.393 6.771 -4.197 112 HG3 LYS 17 1HG LYS 17 8.283 5.792 -2.734 113 HD2 LYS 17 2HD LYS 17 8.718 3.780 -4.032 114 HD3 LYS 17 1HD LYS 17 8.776 4.730 -5.517 115 HE2 LYS 17 2HE LYS 17 10.633 5.063 -3.163 116 HE3 LYS 17 1HE LYS 17 11.017 4.169 -4.632 117 HZ1 LYS 17 3HZ LYS 17 10.576 7.090 -4.341 118 HZ2 LYS 17 1HZ LYS 17 10.590 6.315 -5.853 119 HZ3 LYS 17 2HZ LYS 17 11.969 6.287 -4.874 120 H THR 18 H THR 18 5.382 3.879 -6.911 121 HA THR 18 HA THR 18 2.570 4.556 -6.695 122 HB THR 18 HB THR 18 3.982 2.283 -8.119 123 HG1 THR 18 1HG THR 18 3.681 4.867 -8.722 124 HG21 THR 18 3HG2 THR 18 1.080 3.122 -8.149 125 HG22 THR 18 1HG2 THR 18 1.741 1.566 -7.634 126 HG23 THR 18 2HG2 THR 18 1.802 2.038 -9.336 127 H TYR 19 H TYR 19 1.801 4.072 -4.652 128 HA TYR 19 HA TYR 19 2.264 1.307 -3.766 129 HD1 TYR 19 1HD TYR 19 1.603 5.427 -2.179 130 HD2 TYR 19 2HD TYR 19 0.515 1.754 -0.330 131 HE1 TYR 19 1HE TYR 19 0.099 6.627 -0.656 132 HE2 TYR 19 2HE TYR 19 -1.008 2.922 1.168 133 HH TYR 19 HH TYR 19 -1.257 5.245 2.099 134 HB2 TYR 19 2HB TYR 19 2.555 1.931 -1.629 135 HB3 TYR 19 1HB TYR 19 3.039 3.442 -2.369 136 H TYR 20 H TYR 20 0.480 0.426 -2.413 137 HA TYR 20 HA TYR 20 -2.050 1.111 -3.736 138 HD1 TYR 20 1HD TYR 20 0.947 -1.262 -3.914 139 HD2 TYR 20 2HD TYR 20 -2.994 -1.646 -5.492 140 HE1 TYR 20 1HE TYR 20 1.881 -1.971 -6.052 141 HE2 TYR 20 2HE TYR 20 -2.049 -2.372 -7.651 142 HH TYR 20 HH TYR 20 0.254 -2.011 -8.889 143 HB2 TYR 20 2HB TYR 20 -1.229 -1.505 -2.456 144 HB3 TYR 20 1HB TYR 20 -2.750 -1.191 -3.269 145 H TYR 21 H TYR 21 -3.860 1.377 -2.544 146 HA TYR 21 HA TYR 21 -3.452 1.473 0.366 147 HD1 TYR 21 2HD TYR 21 -3.280 4.115 1.665 148 HD2 TYR 21 1HD TYR 21 -7.188 3.143 0.265 149 HE1 TYR 21 2HE TYR 21 -4.233 4.912 3.781 150 HE2 TYR 21 1HE TYR 21 -8.148 3.954 2.377 151 HH TYR 21 HH TYR 21 -6.395 5.790 4.609 152 HB2 TYR 21 2HB TYR 21 -3.730 3.714 -0.725 153 HB3 TYR 21 1HB TYR 21 -5.326 3.210 -1.266 154 H ASN 22 H ASN 22 -4.252 -0.297 1.024 155 HA ASN 22 HA ASN 22 -6.201 -1.879 -0.128 156 HB2 ASN 22 2HB ASN 22 -4.688 -2.831 1.435 157 HB3 ASN 22 1HB ASN 22 -5.076 -1.639 2.662 158 HD21 ASN 22 1HD2 ASN 22 -5.066 -4.638 2.545 159 HD22 ASN 22 2HD2 ASN 22 -6.623 -5.086 3.165 160 H ASN 23 H ASN 23 -8.179 -1.248 -0.544 161 HA ASN 23 HA ASN 23 -9.664 0.224 1.491 162 HB2 ASN 23 2HB ASN 23 -9.671 0.846 -1.020 163 HB3 ASN 23 1HB ASN 23 -10.674 -0.580 -1.244 164 HD21 ASN 23 1HD2 ASN 23 -10.678 1.920 1.295 165 HD22 ASN 23 2HD2 ASN 23 -12.319 2.393 1.048 166 H ARG 24 H ARG 24 -8.781 -2.774 0.937 167 HA ARG 24 HA ARG 24 -11.062 -4.357 0.997 168 HE ARG 24 HE ARG 24 -10.588 -8.971 1.959 169 HB2 ARG 24 2HB ARG 24 -8.587 -5.037 0.679 170 HB3 ARG 24 1HB ARG 24 -8.545 -5.127 2.430 171 HG2 ARG 24 2HG ARG 24 -10.459 -6.687 0.702 172 HG3 ARG 24 1HG ARG 24 -8.919 -7.303 1.297 173 HD2 ARG 24 2HD ARG 24 -9.713 -6.926 3.616 174 HD3 ARG 24 1HD ARG 24 -11.277 -6.426 2.968 175 HH11 ARG 24 1HH1 ARG 24 -11.733 -7.415 4.908 176 HH12 ARG 24 2HH1 ARG 24 -12.420 -8.882 5.534 177 HH21 ARG 24 1HH2 ARG 24 -11.513 -10.855 2.796 178 HH22 ARG 24 2HH2 ARG 24 -12.307 -10.828 4.342 179 H THR 25 H THR 25 -8.880 -3.631 3.685 180 HA THR 25 HA THR 25 -11.164 -3.331 5.485 181 HB THR 25 HB THR 25 -10.262 -5.565 5.871 182 HG1 THR 25 1HG THR 25 -9.707 -3.666 7.926 183 HG21 THR 25 3HG2 THR 25 -8.022 -5.206 5.105 184 HG22 THR 25 1HG2 THR 25 -7.978 -5.782 6.768 185 HG23 THR 25 2HG2 THR 25 -7.726 -4.072 6.417 186 H LEU 26 H LEU 26 -9.168 -1.608 4.016 187 HA LEU 26 HA LEU 26 -8.130 0.369 4.301 188 HG LEU 26 HG LEU 26 -10.520 2.158 6.479 189 HB2 LEU 26 2HB LEU 26 -9.354 0.109 7.015 190 HB3 LEU 26 1HB LEU 26 -8.184 1.379 6.706 191 HD11 LEU 26 1HD1 LEU 26 -8.728 3.248 5.216 192 HD12 LEU 26 2HD1 LEU 26 -10.257 3.282 4.336 193 HD13 LEU 26 3HD1 LEU 26 -8.997 2.133 3.879 194 HD21 LEU 26 3HD2 LEU 26 -11.579 0.136 5.682 195 HD22 LEU 26 1HD2 LEU 26 -10.607 0.173 4.208 196 HD23 LEU 26 2HD2 LEU 26 -11.823 1.427 4.507 197 H GLU 27 H GLU 27 -6.238 -0.575 3.803 198 HA GLU 27 HA GLU 27 -4.249 -0.665 5.939 199 HB2 GLU 27 2HB GLU 27 -4.345 -2.944 5.861 200 HB3 GLU 27 1HB GLU 27 -5.142 -2.955 4.297 201 HG2 GLU 27 2HG GLU 27 -2.898 -2.434 3.268 202 HG3 GLU 27 1HG GLU 27 -2.205 -2.733 4.854 203 H SER 28 H SER 28 -2.029 -0.442 5.044 204 HA SER 28 HA SER 28 -2.062 0.770 2.363 205 HG SER 28 HG SER 28 -2.581 2.427 3.797 206 HB2 SER 28 2HB SER 28 -0.466 1.374 4.832 207 HB3 SER 28 1HB SER 28 0.067 1.931 3.265 208 H THR 29 H THR 29 -0.433 0.162 0.869 209 HA THR 29 HA THR 29 1.576 -1.792 1.746 210 HB THR 29 HB THR 29 1.116 -3.422 0.111 211 HG1 THR 29 1HG THR 29 0.647 -2.656 -1.795 212 HG21 THR 29 3HG2 THR 29 -1.240 -4.048 0.258 213 HG22 THR 29 1HG2 THR 29 -1.635 -2.446 0.882 214 HG23 THR 29 2HG2 THR 29 -0.619 -3.535 1.828 215 H TRP 30 H TRP 30 3.548 -1.377 0.753 216 HA TRP 30 HA TRP 30 3.757 0.894 -0.952 217 HD1 TRP 30 HD TRP 30 5.553 -0.370 2.490 218 HE1 TRP 30 1HE TRP 30 6.284 1.750 3.691 219 HE3 TRP 30 3HE TRP 30 6.248 2.638 -1.580 220 HZ2 TRP 30 2HZ TRP 30 7.010 4.352 3.040 221 HZ3 TRP 30 3HZ TRP 30 6.931 4.969 -1.174 222 HH2 TRP 30 HH TRP 30 7.281 5.789 1.103 223 HB2 TRP 30 2HB TRP 30 5.729 -1.197 -0.051 224 HB3 TRP 30 1HB TRP 30 6.171 0.011 -1.250 225 H GLU 31 H GLU 31 4.639 -2.514 -1.677 226 HA GLU 31 HA GLU 31 3.996 -1.883 -4.461 227 HB2 GLU 31 2HB GLU 31 5.755 -4.087 -3.373 228 HB3 GLU 31 1HB GLU 31 5.428 -3.771 -5.070 229 HG2 GLU 31 2HG GLU 31 6.378 -1.489 -4.763 230 HG3 GLU 31 1HG GLU 31 6.874 -1.986 -3.151 231 H LYS 32 H LYS 32 3.776 -4.618 -5.339 232 HA LYS 32 HA LYS 32 1.036 -4.737 -5.385 233 HB2 LYS 32 2HB LYS 32 3.120 -6.802 -6.014 234 HB3 LYS 32 1HB LYS 32 1.403 -7.111 -6.241 235 HG2 LYS 32 2HG LYS 32 1.308 -5.114 -7.724 236 HG3 LYS 32 1HG LYS 32 3.066 -5.001 -7.599 237 HD2 LYS 32 2HD LYS 32 3.361 -7.104 -8.671 238 HD3 LYS 32 1HD LYS 32 1.643 -7.486 -8.538 239 HE2 LYS 32 2HE LYS 32 2.013 -6.866 -10.789 240 HE3 LYS 32 1HE LYS 32 1.203 -5.501 -10.027 241 HZ1 LYS 32 3HZ LYS 32 2.893 -4.508 -11.206 242 HZ2 LYS 32 1HZ LYS 32 4.005 -5.751 -10.889 243 HZ3 LYS 32 2HZ LYS 32 3.597 -4.653 -9.667 244 HA PRO 33 HA PRO 33 -0.295 -6.601 -1.581 245 HB2 PRO 33 2HB PRO 33 -2.684 -7.146 -3.273 246 HB3 PRO 33 1HB PRO 33 -2.573 -6.294 -1.724 247 HG2 PRO 33 2HG PRO 33 -2.962 -4.932 -3.952 248 HG3 PRO 33 1HG PRO 33 -1.818 -4.324 -2.736 249 HD2 PRO 33 2HD PRO 33 -1.250 -5.818 -5.284 250 HD3 PRO 33 1HD PRO 33 -0.464 -4.357 -4.641 251 H GLN 34 H GLN 34 -2.226 -8.612 -1.572 252 HA GLN 34 HA GLN 34 -0.474 -10.875 -1.840 253 HB2 GLN 34 2HB GLN 34 -3.306 -10.635 -0.819 254 HB3 GLN 34 1HB GLN 34 -2.353 -12.113 -0.776 255 HG2 GLN 34 2HG GLN 34 -0.750 -11.087 0.693 256 HG3 GLN 34 1HG GLN 34 -1.579 -9.536 0.575 257 HE21 GLN 34 1HE2 GLN 34 -3.460 -9.209 1.722 258 HE22 GLN 34 2HE2 GLN 34 -4.022 -10.300 2.940 259 H GLU 35 H GLU 35 -3.904 -10.539 -2.863 260 HA GLU 35 HA GLU 35 -3.454 -12.563 -4.885 261 HB2 GLU 35 2HB GLU 35 -5.936 -11.019 -4.112 262 HB3 GLU 35 1HB GLU 35 -5.893 -12.244 -5.379 263 HG2 GLU 35 2HG GLU 35 -5.078 -13.860 -3.649 264 HG3 GLU 35 1HG GLU 35 -5.389 -12.615 -2.436 265 H LEU 36 H LEU 36 -3.107 -9.277 -4.700 266 HA LEU 36 HA LEU 36 -3.626 -8.858 -7.542 267 HG LEU 36 HG LEU 36 -2.039 -5.976 -7.265 268 HB2 LEU 36 2HB LEU 36 -4.575 -7.155 -6.147 269 HB3 LEU 36 1HB LEU 36 -3.062 -6.938 -5.286 270 HD11 LEU 36 1HD1 LEU 36 -3.343 -5.505 -9.279 271 HD12 LEU 36 2HD1 LEU 36 -4.732 -6.344 -8.583 272 HD13 LEU 36 3HD1 LEU 36 -3.263 -7.242 -8.968 273 HD21 LEU 36 3HD2 LEU 36 -4.708 -4.699 -6.682 274 HD22 LEU 36 1HD2 LEU 36 -3.281 -3.897 -7.338 275 HD23 LEU 36 2HD2 LEU 36 -3.260 -4.532 -5.691 276 H LYS 37 H LYS 37 -1.970 -9.740 -8.609 277 HA LYS 37 HA LYS 37 0.621 -8.483 -8.364 278 HB2 LYS 37 2HB LYS 37 1.848 -10.617 -8.248 279 HB3 LYS 37 1HB LYS 37 0.857 -10.369 -6.819 280 HG2 LYS 37 2HG LYS 37 -0.807 -11.904 -7.668 281 HG3 LYS 37 1HG LYS 37 0.114 -12.110 -9.158 282 HD2 LYS 37 2HD LYS 37 1.984 -13.032 -7.841 283 HD3 LYS 37 1HD LYS 37 1.010 -12.867 -6.379 284 HE2 LYS 37 2HE LYS 37 -0.620 -14.421 -7.240 285 HE3 LYS 37 1HE LYS 37 0.244 -14.532 -8.770 286 HZ1 LYS 37 3HZ LYS 37 1.219 -15.442 -6.118 287 HZ2 LYS 37 1HZ LYS 37 2.150 -15.452 -7.536 288 HZ3 LYS 37 2HZ LYS 37 0.768 -16.425 -7.425 289 HA PRO 101 HA PRO 101 -1.835 15.104 -1.812 290 H2 PRO 101 1HT PRO 101 -4.229 14.961 -0.339 291 H3 PRO 101 2HT PRO 101 -3.946 15.488 -1.863 292 HB2 PRO 101 2HB PRO 101 -1.081 15.172 0.952 293 HB3 PRO 101 1HB PRO 101 -0.595 16.264 -0.351 294 HG2 PRO 101 2HG PRO 101 -2.761 16.564 1.638 295 HG3 PRO 101 1HG PRO 101 -1.852 17.814 0.772 296 HD2 PRO 101 2HD PRO 101 -4.397 17.300 0.150 297 HD3 PRO 101 1HD PRO 101 -3.210 17.675 -1.115 298 HA PRO 102 HA PRO 102 -2.311 10.871 -0.718 299 HB2 PRO 102 2HB PRO 102 0.516 10.328 -0.957 300 HB3 PRO 102 1HB PRO 102 -0.767 9.982 -2.117 301 HG2 PRO 102 2HG PRO 102 1.211 11.835 -2.523 302 HG3 PRO 102 1HG PRO 102 -0.379 11.891 -3.300 303 HD2 PRO 102 2HD PRO 102 0.635 13.421 -0.940 304 HD3 PRO 102 1HD PRO 102 -0.418 13.958 -2.265 305 HA PRO 103 HA PRO 103 -0.983 10.237 3.510 306 HB2 PRO 103 2HB PRO 103 -1.788 7.472 3.270 307 HB3 PRO 103 1HB PRO 103 -2.608 8.779 4.127 308 HG2 PRO 103 2HG PRO 103 -3.588 7.563 1.876 309 HG3 PRO 103 1HG PRO 103 -4.004 9.211 2.381 310 HD2 PRO 103 2HD PRO 103 -2.066 8.294 0.295 311 HD3 PRO 103 1HD PRO 103 -3.171 9.685 0.282 312 H LEU 104 H LEU 104 0.772 9.279 4.560 313 HA LEU 104 HA LEU 104 2.776 8.092 2.867 314 HG LEU 104 HG LEU 104 2.654 10.637 4.770 315 HB2 LEU 104 2HB LEU 104 2.726 8.438 5.868 316 HB3 LEU 104 1HB LEU 104 4.126 8.002 4.905 317 HD11 LEU 104 1HD1 LEU 104 4.665 11.573 5.785 318 HD12 LEU 104 2HD1 LEU 104 5.361 9.956 5.917 319 HD13 LEU 104 3HD1 LEU 104 3.918 10.376 6.840 320 HD21 LEU 104 3HD2 LEU 104 5.173 9.727 3.383 321 HD22 LEU 104 1HD2 LEU 104 4.498 11.359 3.340 322 HD23 LEU 104 2HD2 LEU 104 3.608 10.017 2.620 323 H ILE 105 H ILE 105 3.559 5.955 2.987 324 HA ILE 105 HA ILE 105 1.694 3.972 3.927 325 HB ILE 105 HB ILE 105 4.548 3.483 2.965 326 HG12 ILE 105 2HG1 ILE 105 3.517 2.726 0.863 327 HG13 ILE 105 1HG1 ILE 105 1.959 3.395 1.388 328 HG21 ILE 105 1HG2 ILE 105 3.557 1.629 4.227 329 HG22 ILE 105 2HG2 ILE 105 3.714 1.206 2.521 330 HG23 ILE 105 3HG2 ILE 105 2.138 1.649 3.180 331 HD11 ILE 105 3HD1 ILE 105 2.518 5.450 0.720 332 HD12 ILE 105 1HD1 ILE 105 3.898 4.701 -0.093 333 HD13 ILE 105 2HD1 ILE 105 4.093 5.365 1.528 334 HA PRO 106 HA PRO 106 3.917 3.239 7.822 335 HB2 PRO 106 2HB PRO 106 2.832 0.848 8.437 336 HB3 PRO 106 1HB PRO 106 1.909 2.345 8.618 337 HG2 PRO 106 2HG PRO 106 1.847 0.340 6.385 338 HG3 PRO 106 1HG PRO 106 0.488 1.136 7.193 339 HD2 PRO 106 2HD PRO 106 1.461 1.953 4.813 340 HD3 PRO 106 1HD PRO 106 0.721 3.058 5.980 341 HA PRO 107 HA PRO 107 7.051 0.564 6.098 342 HB2 PRO 107 2HB PRO 107 8.638 0.234 8.256 343 HB3 PRO 107 1HB PRO 107 8.542 1.769 7.387 344 HG2 PRO 107 2HG PRO 107 7.278 0.968 9.965 345 HG3 PRO 107 1HG PRO 107 7.974 2.526 9.488 346 HD2 PRO 107 2HD PRO 107 5.266 1.937 9.501 347 HD3 PRO 107 1HD PRO 107 6.019 3.233 8.549 348 HA PRO 108 HA PRO 108 5.898 -3.568 7.321 349 HB2 PRO 108 2HB PRO 108 8.188 -4.595 5.889 350 HB3 PRO 108 1HB PRO 108 6.490 -4.645 5.418 351 HG2 PRO 108 2HG PRO 108 8.388 -3.161 4.124 352 HG3 PRO 108 1HG PRO 108 6.663 -2.760 4.142 353 HD2 PRO 108 2HD PRO 108 8.895 -1.602 5.769 354 HD3 PRO 108 1HD PRO 108 7.501 -0.788 5.021 355 HA PRO 109 HA PRO 109 8.704 -4.422 10.644 356 HB2 PRO 109 2HB PRO 109 7.572 -7.074 10.940 357 HB3 PRO 109 1HB PRO 109 7.326 -5.653 11.954 358 HG2 PRO 109 2HG PRO 109 5.376 -6.738 10.390 359 HG3 PRO 109 1HG PRO 109 5.430 -5.022 10.840 360 HD2 PRO 109 2HD PRO 109 6.277 -6.345 8.282 361 HD3 PRO 109 1HD PRO 109 5.411 -4.810 8.525 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -17.969 -11.779 -3.487 2 H2 GLY 1 2HT GLY 1 -19.624 -11.386 -3.467 3 H3 GLY 1 3HT GLY 1 -19.106 -12.839 -4.163 4 HA2 GLY 1 1HA GLY 1 -20.075 -13.240 -1.999 5 HA3 GLY 1 2HA GLY 1 -18.367 -13.657 -2.029 6 H ALA 2 H ALA 2 -18.854 -13.412 0.373 7 HA ALA 2 HA ALA 2 -18.920 -10.672 1.334 8 HB1 ALA 2 1HB ALA 2 -18.663 -13.279 2.841 9 HB2 ALA 2 2HB ALA 2 -20.170 -12.423 2.502 10 HB3 ALA 2 3HB ALA 2 -18.956 -11.689 3.549 11 H THR 3 H THR 3 -16.634 -13.363 1.160 12 HA THR 3 HA THR 3 -14.532 -11.722 2.309 13 HB THR 3 HB THR 3 -14.561 -14.046 3.005 14 HG1 THR 3 1HG THR 3 -12.495 -13.125 2.797 15 HG21 THR 3 3HG2 THR 3 -14.149 -15.880 1.437 16 HG22 THR 3 1HG2 THR 3 -14.207 -14.751 0.086 17 HG23 THR 3 2HG2 THR 3 -15.652 -15.041 1.057 18 H ALA 4 H ALA 4 -13.232 -10.504 1.126 19 HA ALA 4 HA ALA 4 -12.741 -11.201 -1.663 20 HB1 ALA 4 1HB ALA 4 -14.638 -9.668 -1.725 21 HB2 ALA 4 2HB ALA 4 -13.197 -8.906 -2.406 22 HB3 ALA 4 3HB ALA 4 -13.730 -8.493 -0.775 23 H VAL 5 H VAL 5 -10.602 -11.600 -1.359 24 HA VAL 5 HA VAL 5 -8.926 -9.723 0.075 25 HB VAL 5 HB VAL 5 -7.041 -11.203 -0.756 26 HG11 VAL 5 1HG1 VAL 5 -9.262 -12.527 0.809 27 HG12 VAL 5 2HG1 VAL 5 -8.053 -11.421 1.468 28 HG13 VAL 5 3HG1 VAL 5 -7.558 -12.989 0.827 29 HG21 VAL 5 3HG2 VAL 5 -7.652 -13.407 -1.639 30 HG22 VAL 5 1HG2 VAL 5 -8.157 -12.120 -2.734 31 HG23 VAL 5 2HG2 VAL 5 -9.345 -12.917 -1.703 32 H SER 6 H SER 6 -9.579 -7.907 -1.245 33 HA SER 6 HA SER 6 -7.688 -7.250 -3.231 34 HG SER 6 HG SER 6 -8.015 -7.310 -5.676 35 HB2 SER 6 2HB SER 6 -9.204 -8.824 -4.519 36 HB3 SER 6 1HB SER 6 -10.484 -7.633 -4.321 37 H GLU 7 H GLU 7 -9.580 -5.555 -4.662 38 HA GLU 7 HA GLU 7 -10.100 -3.380 -4.690 39 HB2 GLU 7 2HB GLU 7 -10.759 -3.865 -1.794 40 HB3 GLU 7 1HB GLU 7 -10.898 -2.274 -2.532 41 HG2 GLU 7 2HG GLU 7 -12.304 -3.598 -4.320 42 HG3 GLU 7 1HG GLU 7 -12.510 -4.728 -2.982 43 H TRP 8 H TRP 8 -8.096 -2.971 -5.314 44 HA TRP 8 HA TRP 8 -6.228 -1.891 -3.278 45 HD1 TRP 8 HD TRP 8 -5.757 -5.872 -5.786 46 HE1 TRP 8 1HE TRP 8 -5.656 -7.641 -3.908 47 HE3 TRP 8 3HE TRP 8 -4.968 -2.764 -1.912 48 HZ2 TRP 8 2HZ TRP 8 -5.303 -7.669 -1.081 49 HZ3 TRP 8 3HZ TRP 8 -4.830 -3.702 0.373 50 HH2 TRP 8 HH TRP 8 -4.940 -6.072 0.780 51 HB2 TRP 8 2HB TRP 8 -5.576 -3.295 -5.904 52 HB3 TRP 8 1HB TRP 8 -4.411 -2.709 -4.724 53 H THR 9 H THR 9 -6.144 0.313 -3.617 54 HA THR 9 HA THR 9 -6.617 1.285 -6.331 55 HB THR 9 HB THR 9 -8.044 2.530 -5.110 56 HG1 THR 9 1HG THR 9 -7.386 4.560 -5.128 57 HG21 THR 9 3HG2 THR 9 -6.076 2.623 -2.839 58 HG22 THR 9 1HG2 THR 9 -7.517 1.609 -2.927 59 HG23 THR 9 2HG2 THR 9 -7.681 3.362 -2.820 60 H GLU 10 H GLU 10 -5.556 3.458 -6.650 61 HA GLU 10 HA GLU 10 -2.650 2.905 -6.497 62 HB2 GLU 10 2HB GLU 10 -4.103 4.539 -8.572 63 HB3 GLU 10 1HB GLU 10 -2.386 4.184 -8.550 64 HG2 GLU 10 2HG GLU 10 -2.873 1.805 -8.834 65 HG3 GLU 10 1HG GLU 10 -4.597 2.167 -8.886 66 H TYR 11 H TYR 11 -1.594 4.158 -5.205 67 HA TYR 11 HA TYR 11 -2.457 6.943 -4.887 68 HD1 TYR 11 1HD TYR 11 -4.515 4.766 -3.412 69 HD2 TYR 11 2HD TYR 11 -2.700 8.219 -1.711 70 HE1 TYR 11 1HE TYR 11 -6.729 5.590 -2.729 71 HE2 TYR 11 2HE TYR 11 -4.900 9.047 -1.026 72 HH TYR 11 HH TYR 11 -7.717 7.102 -1.114 73 HB2 TYR 11 2HB TYR 11 -2.021 4.886 -2.798 74 HB3 TYR 11 1HB TYR 11 -1.346 6.478 -2.466 75 H LYS 12 H LYS 12 -0.962 8.039 -5.944 76 HA LYS 12 HA LYS 12 1.852 7.361 -5.701 77 HB2 LYS 12 2HB LYS 12 0.424 9.530 -7.241 78 HB3 LYS 12 1HB LYS 12 2.165 9.322 -7.231 79 HG2 LYS 12 2HG LYS 12 1.927 7.135 -8.266 80 HG3 LYS 12 1HG LYS 12 0.169 7.310 -8.239 81 HD2 LYS 12 2HD LYS 12 0.321 9.248 -9.700 82 HD3 LYS 12 1HD LYS 12 2.082 9.143 -9.684 83 HE2 LYS 12 2HE LYS 12 1.984 6.983 -10.788 84 HE3 LYS 12 1HE LYS 12 0.223 7.017 -10.744 85 HZ1 LYS 12 3HZ LYS 12 0.268 8.991 -12.147 86 HZ2 LYS 12 1HZ LYS 12 1.033 7.681 -12.907 87 HZ3 LYS 12 2HZ LYS 12 1.962 8.924 -12.214 88 H THR 13 H THR 13 2.880 8.046 -3.923 89 HA THR 13 HA THR 13 1.966 10.302 -2.408 90 HB THR 13 HB THR 13 4.139 9.955 -1.149 91 HG1 THR 13 1HG THR 13 5.068 7.797 -1.646 92 HG21 THR 13 3HG2 THR 13 2.276 7.596 -1.428 93 HG22 THR 13 1HG2 THR 13 2.035 8.998 -0.381 94 HG23 THR 13 2HG2 THR 13 3.368 7.885 -0.073 95 H ALA 14 H ALA 14 3.377 12.179 -1.928 96 HA ALA 14 HA ALA 14 4.194 13.486 -4.286 97 HB1 ALA 14 1HB ALA 14 5.012 15.248 -2.809 98 HB2 ALA 14 2HB ALA 14 4.850 14.169 -1.425 99 HB3 ALA 14 3HB ALA 14 3.417 14.684 -2.313 100 H ASP 15 H ASP 15 5.833 11.326 -2.191 101 HA ASP 15 HA ASP 15 8.511 12.059 -2.717 102 HB2 ASP 15 2HB ASP 15 8.049 10.594 -0.872 103 HB3 ASP 15 1HB ASP 15 7.288 9.411 -1.929 104 H GLY 16 H GLY 16 6.231 9.962 -4.383 105 HA2 GLY 16 2HA GLY 16 6.404 9.858 -6.812 106 HA3 GLY 16 1HA GLY 16 8.151 9.808 -6.620 107 H LYS 17 H LYS 17 5.800 7.982 -4.742 108 HA LYS 17 HA LYS 17 6.805 5.519 -6.012 109 HB2 LYS 17 2HB LYS 17 5.991 5.975 -3.129 110 HB3 LYS 17 1HB LYS 17 6.344 4.400 -3.824 111 HG2 LYS 17 2HG LYS 17 8.340 6.633 -3.872 112 HG3 LYS 17 1HG LYS 17 8.189 5.543 -2.499 113 HD2 LYS 17 2HD LYS 17 8.674 4.627 -5.332 114 HD3 LYS 17 1HD LYS 17 9.958 4.906 -4.154 115 HE2 LYS 17 2HE LYS 17 8.900 3.243 -2.660 116 HE3 LYS 17 1HE LYS 17 7.693 2.923 -3.905 117 HZ1 LYS 17 3HZ LYS 17 9.446 1.277 -3.981 118 HZ2 LYS 17 1HZ LYS 17 10.623 2.490 -4.168 119 HZ3 LYS 17 2HZ LYS 17 9.483 2.228 -5.388 120 H THR 18 H THR 18 5.316 4.151 -6.829 121 HA THR 18 HA THR 18 2.504 4.829 -6.600 122 HB THR 18 HB THR 18 3.969 2.686 -8.150 123 HG1 THR 18 1HG THR 18 3.794 5.122 -8.714 124 HG21 THR 18 3HG2 THR 18 1.759 2.281 -9.273 125 HG22 THR 18 1HG2 THR 18 1.002 3.250 -8.010 126 HG23 THR 18 2HG2 THR 18 1.830 1.743 -7.592 127 H TYR 19 H TYR 19 1.723 4.290 -4.615 128 HA TYR 19 HA TYR 19 2.112 1.481 -3.868 129 HD1 TYR 19 1HD TYR 19 0.250 1.743 -0.636 130 HD2 TYR 19 2HD TYR 19 2.018 5.473 -1.626 131 HE1 TYR 19 1HE TYR 19 -1.106 2.812 1.089 132 HE2 TYR 19 2HE TYR 19 0.687 6.544 0.123 133 HH TYR 19 HH TYR 19 -1.101 4.815 2.452 134 HB2 TYR 19 2HB TYR 19 2.568 1.969 -1.739 135 HB3 TYR 19 1HB TYR 19 3.032 3.524 -2.391 136 H TYR 20 H TYR 20 0.329 0.605 -2.527 137 HA TYR 20 HA TYR 20 -2.215 1.351 -3.792 138 HD1 TYR 20 2HD TYR 20 0.776 -1.196 -3.965 139 HD2 TYR 20 1HD TYR 20 -3.157 -1.216 -5.615 140 HE1 TYR 20 2HE TYR 20 1.689 -1.876 -6.111 141 HE2 TYR 20 1HE TYR 20 -2.230 -1.918 -7.791 142 HH TYR 20 HH TYR 20 -0.070 -1.784 -9.008 143 HB2 TYR 20 2HB TYR 20 -1.366 -1.281 -2.563 144 HB3 TYR 20 1HB TYR 20 -2.902 -0.962 -3.353 145 H TYR 21 H TYR 21 -4.096 1.329 -2.548 146 HA TYR 21 HA TYR 21 -3.596 1.527 0.345 147 HD1 TYR 21 2HD TYR 21 -3.560 4.211 1.519 148 HD2 TYR 21 1HD TYR 21 -7.464 2.808 0.500 149 HE1 TYR 21 2HE TYR 21 -4.420 5.039 3.666 150 HE2 TYR 21 1HE TYR 21 -8.320 3.641 2.647 151 HH TYR 21 HH TYR 21 -7.463 4.188 4.891 152 HB2 TYR 21 2HB TYR 21 -4.182 3.694 -0.818 153 HB3 TYR 21 1HB TYR 21 -5.751 2.989 -1.191 154 H ASN 22 H ASN 22 -4.081 -0.373 0.928 155 HA ASN 22 HA ASN 22 -5.934 -2.168 -0.066 156 HB2 ASN 22 2HB ASN 22 -4.212 -2.935 1.384 157 HB3 ASN 22 1HB ASN 22 -4.613 -1.763 2.630 158 HD21 ASN 22 1HD2 ASN 22 -6.495 -2.154 3.929 159 HD22 ASN 22 2HD2 ASN 22 -7.117 -3.749 4.095 160 H ASN 23 H ASN 23 -8.087 -2.019 -0.107 161 HA ASN 23 HA ASN 23 -9.461 -0.405 1.881 162 HB2 ASN 23 2HB ASN 23 -10.180 -0.284 -0.482 163 HB3 ASN 23 1HB ASN 23 -10.586 -2.000 -0.439 164 HD21 ASN 23 1HD2 ASN 23 -11.447 1.177 0.734 165 HD22 ASN 23 2HD2 ASN 23 -13.052 0.774 1.228 166 H ARG 24 H ARG 24 -8.389 -3.571 1.526 167 HA ARG 24 HA ARG 24 -10.361 -5.236 2.282 168 HE ARG 24 HE ARG 24 -7.655 -8.181 3.551 169 HB2 ARG 24 2HB ARG 24 -7.458 -5.329 2.767 170 HB3 ARG 24 1HB ARG 24 -8.463 -6.466 3.653 171 HG2 ARG 24 2HG ARG 24 -9.356 -7.333 1.571 172 HG3 ARG 24 1HG ARG 24 -8.409 -6.156 0.661 173 HD2 ARG 24 2HD ARG 24 -7.396 -8.423 0.716 174 HD3 ARG 24 1HD ARG 24 -6.350 -7.167 1.375 175 HH11 ARG 24 1HH1 ARG 24 -5.739 -9.580 0.974 176 HH12 ARG 24 2HH1 ARG 24 -5.053 -10.808 1.990 177 HH21 ARG 24 1HH2 ARG 24 -6.765 -9.820 4.886 178 HH22 ARG 24 2HH2 ARG 24 -5.628 -10.949 4.209 179 H THR 25 H THR 25 -8.022 -4.561 4.816 180 HA THR 25 HA THR 25 -10.204 -4.124 6.708 181 HB THR 25 HB THR 25 -8.703 -6.055 7.160 182 HG1 THR 25 1HG THR 25 -8.826 -3.879 9.000 183 HG21 THR 25 3HG2 THR 25 -6.434 -5.564 7.947 184 HG22 THR 25 1HG2 THR 25 -6.686 -3.868 7.533 185 HG23 THR 25 2HG2 THR 25 -6.680 -5.086 6.268 186 H LEU 26 H LEU 26 -9.057 -2.140 4.881 187 HA LEU 26 HA LEU 26 -8.262 -0.032 4.770 188 HG LEU 26 HG LEU 26 -9.577 2.387 7.188 189 HB2 LEU 26 2HB LEU 26 -9.892 0.050 6.833 190 HB3 LEU 26 1HB LEU 26 -8.412 0.269 7.740 191 HD11 LEU 26 1HD1 LEU 26 -7.599 3.592 6.343 192 HD12 LEU 26 2HD1 LEU 26 -6.844 2.043 5.971 193 HD13 LEU 26 3HD1 LEU 26 -7.211 2.464 7.644 194 HD21 LEU 26 3HD2 LEU 26 -10.479 1.766 5.017 195 HD22 LEU 26 1HD2 LEU 26 -8.849 1.685 4.350 196 HD23 LEU 26 2HD2 LEU 26 -9.504 3.232 4.894 197 H GLU 27 H GLU 27 -6.217 -0.594 4.093 198 HA GLU 27 HA GLU 27 -4.070 -0.423 6.067 199 HB2 GLU 27 2HB GLU 27 -4.568 -2.848 5.844 200 HB3 GLU 27 1HB GLU 27 -4.369 -2.722 4.111 201 HG2 GLU 27 2HG GLU 27 -2.434 -3.728 5.181 202 HG3 GLU 27 1HG GLU 27 -2.030 -2.212 4.364 203 H SER 28 H SER 28 -1.948 -0.132 4.991 204 HA SER 28 HA SER 28 -2.202 0.901 2.232 205 HG SER 28 HG SER 28 -2.071 3.193 4.374 206 HB2 SER 28 2HB SER 28 -0.574 1.729 4.599 207 HB3 SER 28 1HB SER 28 0.051 2.073 3.011 208 H THR 29 H THR 29 -0.523 0.349 0.731 209 HA THR 29 HA THR 29 1.480 -1.662 1.549 210 HB THR 29 HB THR 29 1.018 -2.965 -0.533 211 HG1 THR 29 1HG THR 29 -0.454 -0.916 -1.149 212 HG21 THR 29 3HG2 THR 29 0.054 -3.852 1.483 213 HG22 THR 29 1HG2 THR 29 -1.086 -4.042 0.149 214 HG23 THR 29 2HG2 THR 29 -1.323 -2.758 1.339 215 H TRP 30 H TRP 30 3.440 -1.277 0.504 216 HA TRP 30 HA TRP 30 3.725 1.055 -1.131 217 HD1 TRP 30 HD TRP 30 5.059 -0.484 2.148 218 HE1 TRP 30 1HE TRP 30 5.952 1.394 3.609 219 HE3 TRP 30 3HE TRP 30 6.427 2.588 -1.556 220 HZ2 TRP 30 2HZ TRP 30 7.033 3.952 3.205 221 HZ3 TRP 30 3HZ TRP 30 7.337 4.809 -0.970 222 HH2 TRP 30 HH TRP 30 7.598 5.461 1.391 223 HB2 TRP 30 2HB TRP 30 5.583 -1.180 -0.377 224 HB3 TRP 30 1HB TRP 30 6.063 0.127 -1.457 225 H GLU 31 H GLU 31 4.475 -2.360 -1.938 226 HA GLU 31 HA GLU 31 3.914 -1.639 -4.720 227 HB2 GLU 31 2HB GLU 31 5.270 -3.547 -5.352 228 HB3 GLU 31 1HB GLU 31 6.173 -2.424 -4.355 229 HG2 GLU 31 2HG GLU 31 5.837 -3.877 -2.422 230 HG3 GLU 31 1HG GLU 31 4.930 -5.004 -3.437 231 H LYS 32 H LYS 32 3.515 -3.974 -5.919 232 HA LYS 32 HA LYS 32 0.773 -4.357 -5.513 233 HB2 LYS 32 2HB LYS 32 1.742 -4.603 -7.695 234 HB3 LYS 32 1HB LYS 32 2.805 -5.887 -7.139 235 HG2 LYS 32 2HG LYS 32 0.844 -7.314 -6.749 236 HG3 LYS 32 1HG LYS 32 -0.193 -6.030 -7.374 237 HD2 LYS 32 2HD LYS 32 2.055 -7.267 -8.958 238 HD3 LYS 32 1HD LYS 32 0.394 -7.860 -9.000 239 HE2 LYS 32 2HE LYS 32 -0.388 -5.724 -9.824 240 HE3 LYS 32 1HE LYS 32 1.235 -5.047 -9.681 241 HZ1 LYS 32 3HZ LYS 32 2.009 -6.375 -11.432 242 HZ2 LYS 32 1HZ LYS 32 0.505 -5.798 -11.966 243 HZ3 LYS 32 2HZ LYS 32 0.650 -7.390 -11.391 244 HA PRO 33 HA PRO 33 0.653 -7.636 -2.410 245 HB2 PRO 33 2HB PRO 33 -2.123 -7.730 -3.513 246 HB3 PRO 33 1HB PRO 33 -1.589 -7.610 -1.830 247 HG2 PRO 33 2HG PRO 33 -2.592 -5.490 -3.033 248 HG3 PRO 33 1HG PRO 33 -1.149 -5.316 -2.015 249 HD2 PRO 33 2HD PRO 33 -1.341 -5.491 -5.004 250 HD3 PRO 33 1HD PRO 33 -0.391 -4.368 -4.007 251 H GLN 34 H GLN 34 0.423 -9.893 -2.457 252 HA GLN 34 HA GLN 34 1.118 -11.192 -4.863 253 HB2 GLN 34 2HB GLN 34 0.104 -12.297 -2.244 254 HB3 GLN 34 1HB GLN 34 0.727 -13.296 -3.546 255 HG2 GLN 34 2HG GLN 34 2.903 -12.377 -3.321 256 HG3 GLN 34 1HG GLN 34 2.335 -11.135 -2.204 257 HE21 GLN 34 1HE2 GLN 34 3.044 -14.516 -2.618 258 HE22 GLN 34 2HE2 GLN 34 3.136 -14.903 -0.934 259 H GLU 35 H GLU 35 -1.932 -10.621 -3.305 260 HA GLU 35 HA GLU 35 -3.373 -12.491 -4.977 261 HB2 GLU 35 2HB GLU 35 -5.363 -11.515 -3.741 262 HB3 GLU 35 1HB GLU 35 -4.159 -12.332 -2.752 263 HG2 GLU 35 2HG GLU 35 -3.155 -9.963 -2.454 264 HG3 GLU 35 1HG GLU 35 -4.742 -9.415 -2.996 265 H LEU 36 H LEU 36 -2.027 -9.711 -5.722 266 HA LEU 36 HA LEU 36 -4.319 -8.630 -7.205 267 HG LEU 36 HG LEU 36 -4.513 -6.214 -6.632 268 HB2 LEU 36 2HB LEU 36 -2.542 -7.298 -5.655 269 HB3 LEU 36 1HB LEU 36 -1.723 -7.207 -7.202 270 HD11 LEU 36 1HD1 LEU 36 -1.889 -4.783 -6.977 271 HD12 LEU 36 2HD1 LEU 36 -2.945 -4.782 -5.557 272 HD13 LEU 36 3HD1 LEU 36 -3.462 -3.986 -7.045 273 HD21 LEU 36 3HD2 LEU 36 -4.224 -6.998 -8.947 274 HD22 LEU 36 1HD2 LEU 36 -2.829 -5.935 -9.119 275 HD23 LEU 36 2HD2 LEU 36 -4.435 -5.248 -8.865 276 H LYS 37 H LYS 37 -4.470 -9.471 -9.179 277 HA LYS 37 HA LYS 37 -2.083 -10.413 -10.533 278 HB2 LYS 37 2HB LYS 37 -3.967 -11.124 -12.259 279 HB3 LYS 37 1HB LYS 37 -3.630 -12.058 -10.815 280 HG2 LYS 37 2HG LYS 37 -5.888 -11.981 -10.650 281 HG3 LYS 37 1HG LYS 37 -5.518 -10.479 -9.805 282 HD2 LYS 37 2HD LYS 37 -5.907 -10.380 -12.754 283 HD3 LYS 37 1HD LYS 37 -7.325 -10.595 -11.732 284 HE2 LYS 37 2HE LYS 37 -7.308 -8.459 -11.095 285 HE3 LYS 37 1HE LYS 37 -5.575 -8.492 -10.754 286 HZ1 LYS 37 3HZ LYS 37 -5.109 -8.124 -13.054 287 HZ2 LYS 37 1HZ LYS 37 -6.188 -6.921 -12.532 288 HZ3 LYS 37 2HZ LYS 37 -6.752 -8.222 -13.470 289 HA PRO 101 HA PRO 101 -1.656 15.613 -0.150 290 H2 PRO 101 1HT PRO 101 -4.411 15.329 0.219 291 H3 PRO 101 2HT PRO 101 -3.572 16.258 -0.829 292 HB2 PRO 101 2HB PRO 101 -1.850 14.977 2.598 293 HB3 PRO 101 1HB PRO 101 -1.086 16.405 1.884 294 HG2 PRO 101 2HG PRO 101 -3.838 16.068 2.964 295 HG3 PRO 101 1HG PRO 101 -2.782 17.497 2.995 296 HD2 PRO 101 2HD PRO 101 -4.833 17.411 1.320 297 HD3 PRO 101 1HD PRO 101 -3.275 18.046 0.767 298 HA PRO 102 HA PRO 102 -2.711 11.238 -0.154 299 HB2 PRO 102 2HB PRO 102 0.057 10.691 -0.761 300 HB3 PRO 102 1HB PRO 102 -1.342 10.572 -1.829 301 HG2 PRO 102 2HG PRO 102 0.658 12.428 -2.120 302 HG3 PRO 102 1HG PRO 102 -0.996 12.650 -2.715 303 HD2 PRO 102 2HD PRO 102 0.293 13.727 -0.237 304 HD3 PRO 102 1HD PRO 102 -0.847 14.515 -1.348 305 HA PRO 103 HA PRO 103 -1.151 10.133 3.853 306 HB2 PRO 103 2HB PRO 103 -1.857 7.346 3.345 307 HB3 PRO 103 1HB PRO 103 -2.665 8.519 4.392 308 HG2 PRO 103 2HG PRO 103 -3.757 7.554 2.094 309 HG3 PRO 103 1HG PRO 103 -4.131 9.160 2.749 310 HD2 PRO 103 2HD PRO 103 -2.257 8.392 0.538 311 HD3 PRO 103 1HD PRO 103 -3.387 9.761 0.633 312 H LEU 104 H LEU 104 0.667 9.209 4.788 313 HA LEU 104 HA LEU 104 2.691 8.172 3.020 314 HG LEU 104 HG LEU 104 4.430 6.871 5.232 315 HB2 LEU 104 2HB LEU 104 3.232 9.626 4.945 316 HB3 LEU 104 1HB LEU 104 2.638 8.394 6.036 317 HD11 LEU 104 1HD1 LEU 104 6.318 7.865 3.996 318 HD12 LEU 104 2HD1 LEU 104 5.356 9.324 3.755 319 HD13 LEU 104 3HD1 LEU 104 4.829 7.797 3.050 320 HD21 LEU 104 3HD2 LEU 104 5.400 9.504 6.338 321 HD22 LEU 104 1HD2 LEU 104 6.228 7.954 6.458 322 HD23 LEU 104 2HD2 LEU 104 4.688 8.195 7.281 323 H ILE 105 H ILE 105 3.528 6.024 3.040 324 HA ILE 105 HA ILE 105 1.674 3.978 3.834 325 HB ILE 105 HB ILE 105 4.526 3.391 3.019 326 HG12 ILE 105 2HG1 ILE 105 3.623 3.061 0.713 327 HG13 ILE 105 1HG1 ILE 105 2.236 4.129 1.166 328 HG21 ILE 105 1HG2 ILE 105 3.146 1.539 3.798 329 HG22 ILE 105 2HG2 ILE 105 3.435 1.379 2.065 330 HG23 ILE 105 3HG2 ILE 105 1.878 1.967 2.649 331 HD11 ILE 105 3HD1 ILE 105 3.480 6.003 1.096 332 HD12 ILE 105 1HD1 ILE 105 4.526 5.044 0.047 333 HD13 ILE 105 2HD1 ILE 105 4.915 5.221 1.754 334 HA PRO 106 HA PRO 106 3.923 2.791 7.632 335 HB2 PRO 106 2HB PRO 106 2.694 0.411 8.006 336 HB3 PRO 106 1HB PRO 106 1.875 1.936 8.375 337 HG2 PRO 106 2HG PRO 106 1.617 0.188 5.955 338 HG3 PRO 106 1HG PRO 106 0.344 1.002 6.875 339 HD2 PRO 106 2HD PRO 106 1.358 1.964 4.552 340 HD3 PRO 106 1HD PRO 106 0.667 2.993 5.813 341 HA PRO 107 HA PRO 107 6.817 0.138 5.472 342 HB2 PRO 107 2HB PRO 107 8.103 -0.568 7.971 343 HB3 PRO 107 1HB PRO 107 8.691 0.499 6.695 344 HG2 PRO 107 2HG PRO 107 7.957 1.377 9.175 345 HG3 PRO 107 1HG PRO 107 7.869 2.383 7.715 346 HD2 PRO 107 2HD PRO 107 5.689 0.893 9.135 347 HD3 PRO 107 1HD PRO 107 5.655 2.510 8.393 348 HA PRO 108 HA PRO 108 5.189 -3.943 6.163 349 HB2 PRO 108 2HB PRO 108 6.835 -5.363 4.578 350 HB3 PRO 108 1HB PRO 108 5.608 -4.272 3.932 351 HG2 PRO 108 2HG PRO 108 8.543 -3.860 4.219 352 HG3 PRO 108 1HG PRO 108 7.463 -3.362 2.907 353 HD2 PRO 108 2HD PRO 108 8.358 -1.691 4.913 354 HD3 PRO 108 1HD PRO 108 6.881 -1.429 3.966 355 HA PRO 109 HA PRO 109 7.832 -5.817 9.213 356 HB2 PRO 109 2HB PRO 109 6.460 -8.103 9.608 357 HB3 PRO 109 1HB PRO 109 5.893 -6.540 10.201 358 HG2 PRO 109 2HG PRO 109 4.992 -8.103 7.833 359 HG3 PRO 109 1HG PRO 109 4.051 -7.099 8.950 360 HD2 PRO 109 2HD PRO 109 4.897 -6.307 6.432 361 HD3 PRO 109 1HD PRO 109 4.433 -5.209 7.744
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