NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20630 | 2g9l | 7065 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 65.064 53.832 14.587 2 2H GLY 1 2H GLY 1 63.756 54.688 15.112 3 3H GLY 1 3H GLY 1 65.200 54.822 15.900 4 1HA GLY 1 2HA GLY 1 64.817 56.754 14.575 5 2HA GLY 1 1HA GLY 1 66.222 55.829 14.009 6 H ILE 2 H ILE 2 65.542 57.330 12.092 7 HA ILE 2 HA ILE 2 63.331 56.781 10.482 8 HB ILE 2 HB ILE 2 64.834 58.708 10.407 9 1HG1 ILE 2 1HG1 ILE 2 63.304 57.967 8.478 10 2HG1 ILE 2 2HG1 ILE 2 64.501 59.247 8.255 11 1HG2 ILE 2 1HG2 ILE 2 66.949 58.655 9.179 12 2HG2 ILE 2 2HG2 ILE 2 67.011 57.604 10.604 13 3HG2 ILE 2 3HG2 ILE 2 66.825 56.895 8.988 14 1HD1 ILE 2 1HD1 ILE 2 64.925 56.372 7.338 15 2HD1 ILE 2 2HD1 ILE 2 64.396 57.720 6.319 16 3HD1 ILE 2 3HD1 ILE 2 66.003 57.757 7.057 17 H LEU 3 H LEU 3 66.463 55.114 10.751 18 HA LEU 3 HA LEU 3 66.099 53.492 8.402 19 1HB LEU 3 1HB LEU 3 67.867 53.082 10.847 20 2HB LEU 3 2HB LEU 3 68.029 52.243 9.298 21 HG LEU 3 HG LEU 3 68.394 55.241 9.761 22 1HD1 LEU 3 1HD2 LEU 3 70.761 54.763 9.296 23 2HD1 LEU 3 2HD2 LEU 3 70.392 53.031 9.137 24 3HD1 LEU 3 3HD2 LEU 3 70.193 53.844 10.706 25 1HD2 LEU 3 1HD1 LEU 3 67.551 54.844 7.485 26 2HD2 LEU 3 2HD1 LEU 3 69.277 55.228 7.424 27 3HD2 LEU 3 3HD1 LEU 3 68.742 53.543 7.248 28 H ASP 4 H ASP 4 64.682 53.335 11.540 29 HA ASP 4 HA ASP 4 64.127 50.434 11.343 30 1HB ASP 4 2HB ASP 4 64.822 51.451 13.519 31 2HB ASP 4 1HB ASP 4 63.383 52.479 13.474 32 HD2 ASP 4 HD2 ASP 4 61.371 51.488 13.575 33 H THR 5 H THR 5 62.920 53.679 10.799 34 HA THR 5 HA THR 5 60.185 53.089 11.080 35 HB THR 5 HB THR 5 61.503 55.355 9.532 36 HG1 THR 5 HG1 THR 5 61.144 56.446 11.506 37 1HG2 THR 5 1HG2 THR 5 59.121 55.120 8.939 38 2HG2 THR 5 2HG2 THR 5 58.689 55.061 10.665 39 3HG2 THR 5 3HG2 THR 5 59.372 56.545 9.965 40 H LEU 6 H LEU 6 62.162 53.634 8.103 41 HA LEU 6 HA LEU 6 60.175 52.881 6.229 42 1HB LEU 6 2HB LEU 6 63.207 52.686 6.087 43 2HB LEU 6 1HB LEU 6 62.103 52.627 4.706 44 HG LEU 6 HG LEU 6 62.475 55.010 6.579 45 1HD1 LEU 6 1HD1 LEU 6 63.551 56.047 4.618 46 2HD1 LEU 6 2HD1 LEU 6 63.350 54.538 3.701 47 3HD1 LEU 6 3HD1 LEU 6 64.417 54.581 5.123 48 1HD2 LEU 6 1HD2 LEU 6 60.189 54.987 5.680 49 2HD2 LEU 6 2HD2 LEU 6 60.812 54.674 4.042 50 3HD2 LEU 6 3HD2 LEU 6 61.143 56.224 4.847 51 H LYS 7 H LYS 7 62.547 50.993 8.094 52 HA LYS 7 HA LYS 7 62.253 48.514 6.718 53 1HB LYS 7 1HB LYS 7 63.144 49.306 9.499 54 2HB LYS 7 2HB LYS 7 62.978 47.613 9.025 55 1HG LYS 7 2HG LYS 7 65.252 48.285 8.796 56 2HG LYS 7 1HG LYS 7 64.592 47.885 7.210 57 1HD LYS 7 2HD LYS 7 64.565 50.772 8.106 58 2HD LYS 7 1HD LYS 7 66.119 50.046 7.688 59 1HE LYS 7 2HE LYS 7 63.742 50.047 5.788 60 2HE LYS 7 1HE LYS 7 65.064 51.224 5.777 61 1HZ LYS 7 1HZ LYS 7 65.437 49.486 4.227 62 2HZ LYS 7 2HZ LYS 7 65.356 48.334 5.402 63 3HZ LYS 7 3HZ LYS 7 66.584 49.435 5.410 64 H GLN 8 H GLN 8 60.488 49.970 9.490 65 HA GLN 8 HA GLN 8 58.947 47.762 10.221 66 1HB GLN 8 2HB GLN 8 59.215 49.915 11.434 67 2HB GLN 8 1HB GLN 8 58.141 50.705 10.275 68 1HG GLN 8 2HG GLN 8 57.377 48.306 11.985 69 2HG GLN 8 1HG GLN 8 57.088 49.992 12.445 70 1HE2 GLN 8 2HE2 GLN 8 55.971 51.342 10.585 71 2HE2 GLN 8 1HE2 GLN 8 54.567 50.569 9.881 72 H PHE 9 H PHE 9 58.005 50.463 8.026 73 HA PHE 9 HA PHE 9 55.575 49.239 7.166 74 1HB PHE 9 2HB PHE 9 57.301 51.387 5.887 75 2HB PHE 9 1HB PHE 9 55.671 50.954 5.363 76 HD1 PHE 9 HD1 PHE 9 53.763 51.096 7.113 77 HD2 PHE 9 HD2 PHE 9 57.569 53.058 7.549 78 HE1 PHE 9 HE1 PHE 9 52.782 52.629 8.797 79 HE2 PHE 9 HE2 PHE 9 56.589 54.575 9.249 80 HZ PHE 9 HZ PHE 9 54.198 54.361 9.876 81 H ALA 10 H ALA 10 58.909 49.168 5.841 82 HA ALA 10 HA ALA 10 58.275 47.809 3.424 83 1HB ALA 10 1HB ALA 10 60.801 47.670 5.118 84 2HB ALA 10 2HB ALA 10 60.648 47.171 3.421 85 3HB ALA 10 3HB ALA 10 60.454 48.881 3.862 86 H LYS 11 H LYS 11 59.065 46.632 6.724 87 HA LYS 11 HA LYS 11 58.445 43.846 6.006 88 1HB LYS 11 2HB LYS 11 59.070 45.198 8.661 89 2HB LYS 11 1HB LYS 11 58.808 43.455 8.433 90 1HG LYS 11 2HG LYS 11 60.697 43.353 6.856 91 2HG LYS 11 1HG LYS 11 61.001 45.088 7.083 92 1HD LYS 11 1HD LYS 11 61.352 44.700 9.513 93 2HD LYS 11 2HD LYS 11 61.110 42.958 9.265 94 1HE LYS 11 2HE LYS 11 63.290 44.649 7.962 95 2HE LYS 11 1HE LYS 11 63.513 43.582 9.362 96 1HZ LYS 11 1HZ LYS 11 62.675 42.731 6.684 97 2HZ LYS 11 2HZ LYS 11 64.166 42.516 7.353 98 3HZ LYS 11 3HZ LYS 11 62.856 41.744 7.993 99 H GLY 12 H GLY 12 56.409 45.461 5.233 100 1HA GLY 12 1HA GLY 12 54.184 44.288 6.573 101 2HA GLY 12 2HA GLY 12 54.270 46.046 6.913 102 H VAL 13 H VAL 13 55.464 46.707 4.323 103 HA VAL 13 HA VAL 13 53.450 45.752 2.365 104 HB VAL 13 HB VAL 13 55.777 47.664 1.927 105 1HG1 VAL 13 1HG1 VAL 13 54.824 46.664 -0.157 106 2HG1 VAL 13 2HG1 VAL 13 53.202 47.175 0.351 107 3HG1 VAL 13 3HG1 VAL 13 54.436 48.387 -0.051 108 1HG2 VAL 13 1HG2 VAL 13 54.096 49.508 2.026 109 2HG2 VAL 13 2HG2 VAL 13 54.288 48.703 3.589 110 3HG2 VAL 13 3HG2 VAL 13 52.874 48.338 2.574 111 H GLY 14 H GLY 14 54.777 43.927 3.646 112 1HA GLY 14 1HA GLY 14 56.242 42.501 1.550 113 2HA GLY 14 2HA GLY 14 57.109 42.757 3.084 114 H LYS 15 H LYS 15 54.636 42.819 4.682 115 HA LYS 15 HA LYS 15 54.117 39.993 5.066 116 1HB LYS 15 2HB LYS 15 54.274 41.726 6.872 117 2HB LYS 15 1HB LYS 15 52.766 42.437 6.259 118 1HG LYS 15 2HG LYS 15 52.385 40.918 8.179 119 2HG LYS 15 1HG LYS 15 51.576 40.305 6.721 120 1HD LYS 15 1HD LYS 15 53.320 38.675 6.345 121 2HD LYS 15 2HD LYS 15 54.373 39.450 7.548 122 1HE LYS 15 1HE LYS 15 52.767 38.821 9.338 123 2HE LYS 15 2HE LYS 15 51.702 38.080 8.125 124 1HZ LYS 15 1HZ LYS 15 54.443 37.235 8.744 125 2HZ LYS 15 2HZ LYS 15 53.063 36.467 9.218 126 3HZ LYS 15 3HZ LYS 15 53.455 36.546 7.618 127 H ASP 16 H ASP 16 52.541 42.899 3.742 128 HA ASP 16 HA ASP 16 50.014 41.770 3.064 129 1HB ASP 16 1HB ASP 16 50.556 44.197 3.229 130 2HB ASP 16 2HB ASP 16 51.572 44.057 1.788 131 HD2 ASP 16 HD2 ASP 16 48.895 44.054 -0.443 132 H LEU 17 H LEU 17 53.224 41.437 1.679 133 HA LEU 17 HA LEU 17 52.274 40.596 -0.981 134 1HB LEU 17 1HB LEU 17 54.967 40.970 0.373 135 2HB LEU 17 2HB LEU 17 54.794 40.287 -1.230 136 HG LEU 17 HG LEU 17 55.405 42.726 -1.121 137 1HD1 LEU 17 1HD1 LEU 17 54.565 41.625 -3.166 138 2HD1 LEU 17 2HD1 LEU 17 54.019 43.311 -3.068 139 3HD1 LEU 17 3HD1 LEU 17 52.893 41.993 -2.685 140 1HD2 LEU 17 1HD2 LEU 17 52.461 43.194 -0.544 141 2HD2 LEU 17 2HD2 LEU 17 53.719 44.407 -0.826 142 3HD2 LEU 17 3HD2 LEU 17 53.772 43.416 0.643 143 H VAL 18 H VAL 18 53.887 39.475 2.025 144 HA VAL 18 HA VAL 18 54.037 36.717 1.236 145 HB VAL 18 HB VAL 18 54.108 38.210 3.869 146 1HG1 VAL 18 1HG1 VAL 18 53.055 36.090 4.407 147 2HG1 VAL 18 2HG1 VAL 18 54.272 35.209 3.446 148 3HG1 VAL 18 3HG1 VAL 18 54.746 36.063 4.936 149 1HG2 VAL 18 1HG2 VAL 18 56.443 37.443 3.870 150 2HG2 VAL 18 2HG2 VAL 18 56.161 36.508 2.385 151 3HG2 VAL 18 3HG2 VAL 18 56.102 38.281 2.342 152 H LYS 19 H LYS 19 51.573 38.890 2.524 153 HA LYS 19 HA LYS 19 49.637 36.833 3.218 154 1HB LYS 19 2HB LYS 19 49.662 39.087 4.210 155 2HB LYS 19 1HB LYS 19 49.246 39.783 2.629 156 1HG LYS 19 2HG LYS 19 47.131 38.540 2.598 157 2HG LYS 19 1HG LYS 19 47.577 37.690 4.097 158 1HD LYS 19 1HD LYS 19 47.624 39.825 5.315 159 2HD LYS 19 2HD LYS 19 47.215 40.699 3.820 160 1HE LYS 19 1HE LYS 19 45.074 39.454 3.681 161 2HE LYS 19 2HE LYS 19 45.484 38.580 5.172 162 1HZ LYS 19 1HZ LYS 19 45.501 40.671 6.316 163 2HZ LYS 19 2HZ LYS 19 44.041 40.421 5.590 164 3HZ LYS 19 3HZ LYS 19 45.120 41.482 4.932 165 H GLY 20 H GLY 20 50.499 38.778 0.401 166 1HA GLY 20 1HA GLY 20 48.225 38.097 -1.249 167 2HA GLY 20 2HA GLY 20 49.743 38.867 -1.756 168 H ALA 21 H ALA 21 51.612 36.941 -0.863 169 HA ALA 21 HA ALA 21 51.435 34.836 -2.808 170 1HB ALA 21 1HB ALA 21 53.158 35.102 -0.311 171 2HB ALA 21 2HB ALA 21 53.415 33.954 -1.643 172 3HB ALA 21 3HB ALA 21 53.579 35.701 -1.932 173 H ALA 22 H ALA 22 50.582 35.206 0.612 174 HA ALA 22 HA ALA 22 49.874 32.364 0.839 175 1HB ALA 22 1HB ALA 22 49.746 34.579 2.902 176 2HB ALA 22 2HB ALA 22 51.101 33.451 2.664 177 3HB ALA 22 3HB ALA 22 49.524 32.841 3.200 178 H GLN 23 H GLN 23 48.311 33.905 -1.065 179 HA GLN 23 HA GLN 23 45.806 34.608 0.267 180 1HB GLN 23 1HB GLN 23 46.742 36.020 -1.485 181 2HB GLN 23 2HB GLN 23 46.723 34.673 -2.632 182 1HG GLN 23 1HG GLN 23 44.839 36.171 -3.010 183 2HG GLN 23 2HG GLN 23 44.259 34.577 -2.509 184 1HE2 GLN 23 1HE2 GLN 23 45.189 37.780 -1.110 185 2HE2 GLN 23 2HE2 GLN 23 43.930 37.806 0.106 186 H GLY 24 H GLY 24 46.833 32.361 -2.358 187 1HA GLY 24 2HA GLY 24 44.181 31.193 -2.528 188 2HA GLY 24 1HA GLY 24 45.606 30.785 -3.495 189 H VAL 25 H VAL 25 46.847 28.373 -1.060 190 HA VAL 25 HA VAL 25 47.863 30.680 -2.508 191 HB VAL 25 HB VAL 25 49.138 28.061 -1.634 192 1HG1 VAL 25 1HG1 VAL 25 51.234 29.369 -1.848 193 2HG1 VAL 25 2HG1 VAL 25 50.402 29.197 -3.407 194 3HG1 VAL 25 3HG1 VAL 25 50.305 30.734 -2.511 195 1HG2 VAL 25 1HG2 VAL 25 48.945 30.793 -0.316 196 2HG2 VAL 25 2HG2 VAL 25 48.298 29.265 0.317 197 3HG2 VAL 25 3HG2 VAL 25 50.051 29.505 0.216 198 H LEU 26 H LEU 26 47.552 27.139 -3.094 199 HA LEU 26 HA LEU 26 48.657 27.091 -5.656 200 1HB LEU 26 2HB LEU 26 46.474 25.332 -4.482 201 2HB LEU 26 1HB LEU 26 47.499 24.928 -5.867 202 HG LEU 26 HG LEU 26 48.475 25.371 -3.007 203 1HD1 LEU 26 1HD2 LEU 26 47.170 23.300 -3.313 204 2HD1 LEU 26 2HD2 LEU 26 48.891 22.948 -3.048 205 3HD1 LEU 26 3HD2 LEU 26 48.206 22.846 -4.686 206 1HD2 LEU 26 1HD1 LEU 26 50.229 26.008 -4.604 207 2HD2 LEU 26 2HD1 LEU 26 49.954 24.516 -5.536 208 3HD2 LEU 26 3HD1 LEU 26 50.618 24.436 -3.889 209 H SER 27 H SER 27 45.341 27.902 -4.656 210 HA SER 27 HA SER 27 44.179 27.757 -7.270 211 1HB SER 27 2HB SER 27 42.350 29.057 -6.229 212 2HB SER 27 1HB SER 27 42.838 27.665 -5.238 213 HG SER 27 HG SER 27 42.608 29.583 -4.013 214 H THR 28 H THR 28 45.763 30.366 -5.403 215 HA THR 28 HA THR 28 45.217 32.400 -7.397 216 HB THR 28 HB THR 28 47.074 32.359 -4.989 217 HG1 THR 28 HG1 THR 28 45.340 33.546 -4.093 218 1HG2 THR 28 1HG2 THR 28 46.071 34.663 -6.722 219 2HG2 THR 28 2HG2 THR 28 47.754 34.099 -6.602 220 3HG2 THR 28 3HG2 THR 28 46.965 34.836 -5.196 221 H VAL 29 H VAL 29 48.154 30.611 -6.292 222 HA VAL 29 HA VAL 29 49.926 31.754 -8.178 223 HB VAL 29 HB VAL 29 49.986 29.148 -6.613 224 1HG1 VAL 29 1HG1 VAL 29 51.488 28.945 -8.542 225 2HG1 VAL 29 2HG1 VAL 29 52.184 30.547 -8.192 226 3HG1 VAL 29 3HG1 VAL 29 52.432 29.195 -7.061 227 1HG2 VAL 29 1HG2 VAL 29 51.331 31.859 -6.197 228 2HG2 VAL 29 2HG2 VAL 29 49.976 31.225 -5.240 229 3HG2 VAL 29 3HG2 VAL 29 51.557 30.423 -5.178 230 H SER 30 H SER 30 48.106 28.641 -8.223 231 HA SER 30 HA SER 30 48.978 27.909 -10.856 232 1HB SER 30 1HB SER 30 48.073 26.299 -9.189 233 2HB SER 30 2HB SER 30 46.483 27.085 -9.300 234 HG SER 30 HG SER 30 46.666 25.256 -10.669 235 H CYS 31 H CYS 31 46.063 29.510 -9.568 236 HA CYS 31 HA CYS 31 44.737 30.000 -12.033 237 1HB CYS 31 2HB CYS 31 43.693 30.186 -9.821 238 2HB CYS 31 1HB CYS 31 44.768 31.529 -9.414 239 H LYS 32 H LYS 32 47.730 31.291 -10.825 240 HA LYS 32 HA LYS 32 47.372 33.963 -11.840 241 1HB LYS 32 2HB LYS 32 48.733 33.176 -9.803 242 2HB LYS 32 1HB LYS 32 49.997 32.781 -10.996 243 1HG LYS 32 2HG LYS 32 49.377 35.162 -11.956 244 2HG LYS 32 1HG LYS 32 48.669 35.427 -10.352 245 1HD LYS 32 1HD LYS 32 51.513 34.625 -11.012 246 2HD LYS 32 2HD LYS 32 51.018 36.246 -10.476 247 1HE LYS 32 1HE LYS 32 50.904 33.673 -8.837 248 2HE LYS 32 2HE LYS 32 52.017 35.029 -8.603 249 1HZ LYS 32 1HZ LYS 32 49.102 35.145 -8.302 250 2HZ LYS 32 2HZ LYS 32 50.141 36.410 -8.098 251 3HZ LYS 32 3HZ LYS 32 50.206 35.115 -7.078 252 H LEU 33 H LEU 33 46.762 32.592 -13.944 253 HA LEU 33 HA LEU 33 48.937 32.067 -15.804 254 1HB LEU 33 2HB LEU 33 45.962 32.629 -16.120 255 2HB LEU 33 1HB LEU 33 47.059 32.499 -17.502 256 HG LEU 33 HG LEU 33 47.725 30.223 -16.799 257 1HD1 LEU 33 1HD2 LEU 33 47.250 30.257 -14.400 258 2HD1 LEU 33 2HD2 LEU 33 45.525 30.579 -14.714 259 3HD1 LEU 33 3HD2 LEU 33 46.248 29.022 -15.171 260 1HD2 LEU 33 1HD1 LEU 33 45.613 29.155 -17.494 261 2HD2 LEU 33 2HD1 LEU 33 45.940 30.610 -18.459 262 3HD2 LEU 33 3HD1 LEU 33 44.731 30.662 -17.155 263 H ALA 34 H ALA 34 46.588 34.752 -15.425 264 HA ALA 34 HA ALA 34 48.756 36.705 -15.921 265 1HB ALA 34 1HB ALA 34 47.272 38.039 -17.368 266 2HB ALA 34 2HB ALA 34 47.573 36.440 -18.080 267 3HB ALA 34 3HB ALA 34 46.024 36.773 -17.273 268 H LYS 35 H LYS 35 47.844 35.793 -13.488 269 HA LYS 35 HA LYS 35 46.800 36.237 -11.572 270 1HB LYS 35 2HB LYS 35 48.469 38.091 -11.844 271 2HB LYS 35 1HB LYS 35 47.152 39.133 -12.409 272 1HG LYS 35 2HG LYS 35 47.517 39.534 -10.063 273 2HG LYS 35 1HG LYS 35 45.975 38.665 -10.206 274 1HD LYS 35 2HD LYS 35 47.181 36.528 -9.677 275 2HD LYS 35 1HD LYS 35 48.677 37.459 -9.461 276 1HE LYS 35 1HE LYS 35 46.105 37.845 -7.864 277 2HE LYS 35 2HE LYS 35 47.526 36.939 -7.313 278 1HZ LYS 35 1HZ LYS 35 47.475 39.796 -7.970 279 2HZ LYS 35 2HZ LYS 35 47.521 39.144 -6.456 280 3HZ LYS 35 3HZ LYS 35 48.800 38.945 -7.478 281 H THR 36 H THR 36 44.914 35.298 -12.942 282 HA THR 36 HA THR 36 42.636 37.183 -13.048 283 HB THR 36 HB THR 36 41.405 35.299 -13.994 284 HG1 THR 36 HG1 THR 36 42.392 33.595 -12.976 285 1HG2 THR 36 1HG2 THR 36 42.639 35.097 -16.095 286 2HG2 THR 36 2HG2 THR 36 42.756 36.761 -15.482 287 3HG2 THR 36 3HG2 THR 36 44.135 35.649 -15.313 288 H CYS 37 H CYS 37 44.275 35.873 -10.611 289 HA CYS 37 HA CYS 37 41.834 35.805 -8.930 290 1HB CYS 37 1HB CYS 37 44.176 33.881 -8.758 291 2HB CYS 37 2HB CYS 37 42.999 34.145 -7.467 292 HXT CYS 37 HO OH 38 43.717 37.418 -6.432 Start of MODEL 2 1 1H GLY 1 1H GLY 1 67.390 55.327 10.316 2 2H GLY 1 2H GLY 1 67.962 54.415 11.566 3 3H GLY 1 3H GLY 1 67.119 53.700 10.341 4 1HA GLY 1 1HA GLY 1 65.764 53.893 12.290 5 2HA GLY 1 2HA GLY 1 66.051 55.643 12.265 6 H ILE 2 H ILE 2 65.504 56.714 10.061 7 HA ILE 2 HA ILE 2 62.770 56.381 9.518 8 HB ILE 2 HB ILE 2 64.015 58.472 9.238 9 1HG1 ILE 2 1HG1 ILE 2 63.179 59.175 7.024 10 2HG1 ILE 2 2HG1 ILE 2 62.872 57.483 6.603 11 1HG2 ILE 2 1HG2 ILE 2 65.530 58.846 7.366 12 2HG2 ILE 2 2HG2 ILE 2 66.152 57.521 8.362 13 3HG2 ILE 2 3HG2 ILE 2 65.337 57.171 6.820 14 1HD1 ILE 2 1HD1 ILE 2 60.830 58.729 7.356 15 2HD1 ILE 2 2HD1 ILE 2 61.174 57.329 8.384 16 3HD1 ILE 2 3HD1 ILE 2 61.589 58.967 8.944 17 H LEU 3 H LEU 3 65.651 54.919 8.089 18 HA LEU 3 HA LEU 3 64.326 53.908 5.730 19 1HB LEU 3 1HB LEU 3 66.906 53.046 7.097 20 2HB LEU 3 2HB LEU 3 66.407 52.620 5.453 21 HG LEU 3 HG LEU 3 67.029 55.435 6.467 22 1HD1 LEU 3 1HD2 LEU 3 69.007 53.977 6.247 23 2HD1 LEU 3 2HD2 LEU 3 68.537 53.583 4.578 24 3HD1 LEU 3 3HD2 LEU 3 68.999 55.246 5.004 25 1HD2 LEU 3 1HD1 LEU 3 65.338 55.545 4.687 26 2HD2 LEU 3 2HD1 LEU 3 66.910 56.046 4.045 27 3HD2 LEU 3 3HD1 LEU 3 66.286 54.421 3.685 28 H ASP 4 H ASP 4 64.361 52.902 9.048 29 HA ASP 4 HA ASP 4 63.670 50.103 8.387 30 1HB ASP 4 2HB ASP 4 65.301 50.577 10.219 31 2HB ASP 4 1HB ASP 4 64.061 51.521 11.057 32 HD2 ASP 4 HD2 ASP 4 63.631 47.469 10.802 33 H THR 5 H THR 5 62.466 53.282 9.196 34 HA THR 5 HA THR 5 60.062 52.428 10.415 35 HB THR 5 HB THR 5 60.711 55.084 9.073 36 HG1 THR 5 HG1 THR 5 62.067 54.500 10.820 37 1HG2 THR 5 1HG2 THR 5 58.281 54.811 9.366 38 2HG2 THR 5 2HG2 THR 5 58.529 54.322 11.059 39 3HG2 THR 5 3HG2 THR 5 58.919 55.977 10.540 40 H LEU 6 H LEU 6 60.742 53.774 7.139 41 HA LEU 6 HA LEU 6 58.196 53.111 6.021 42 1HB LEU 6 2HB LEU 6 59.250 53.595 3.886 43 2HB LEU 6 1HB LEU 6 59.650 54.805 5.108 44 HG LEU 6 HG LEU 6 61.825 53.238 5.420 45 1HD1 LEU 6 1HD2 LEU 6 61.110 51.596 3.642 46 2HD1 LEU 6 2HD2 LEU 6 61.076 52.928 2.473 47 3HD1 LEU 6 3HD2 LEU 6 62.609 52.442 3.225 48 1HD2 LEU 6 1HD1 LEU 6 62.977 54.775 3.858 49 2HD2 LEU 6 2HD1 LEU 6 61.404 55.284 3.206 50 3HD2 LEU 6 3HD1 LEU 6 61.824 55.636 4.898 51 H LYS 7 H LYS 7 61.233 51.322 6.448 52 HA LYS 7 HA LYS 7 60.788 49.152 4.773 53 1HB LYS 7 2HB LYS 7 62.813 49.903 6.303 54 2HB LYS 7 1HB LYS 7 62.025 48.883 7.517 55 1HG LYS 7 1HG LYS 7 63.577 47.454 6.438 56 2HG LYS 7 2HG LYS 7 61.997 47.041 5.749 57 1HD LYS 7 1HD LYS 7 63.416 47.188 3.870 58 2HD LYS 7 2HD LYS 7 62.553 48.736 3.879 59 1HE LYS 7 1HE LYS 7 64.892 49.116 3.388 60 2HE LYS 7 2HE LYS 7 64.547 49.790 4.988 61 1HZ LYS 7 1HZ LYS 7 65.499 47.817 5.943 62 2HZ LYS 7 2HZ LYS 7 66.579 48.547 4.935 63 3HZ LYS 7 3HZ LYS 7 65.790 47.184 4.448 64 H GLN 8 H GLN 8 59.826 49.654 8.187 65 HA GLN 8 HA GLN 8 58.745 47.213 8.844 66 1HB GLN 8 1HB GLN 8 59.112 49.168 10.311 67 2HB GLN 8 2HB GLN 8 57.715 49.986 9.602 68 1HG GLN 8 2HG GLN 8 57.592 47.292 11.006 69 2HG GLN 8 1HG GLN 8 57.341 48.848 11.816 70 1HE2 GLN 8 2HE2 GLN 8 55.632 46.311 10.699 71 2HE2 GLN 8 1HE2 GLN 8 54.160 47.114 10.197 72 H PHE 9 H PHE 9 56.986 49.995 7.386 73 HA PHE 9 HA PHE 9 54.516 48.598 7.077 74 1HB PHE 9 2HB PHE 9 55.609 51.055 5.666 75 2HB PHE 9 1HB PHE 9 53.929 50.509 5.617 76 HD1 PHE 9 HD1 PHE 9 56.375 52.421 7.458 77 HD2 PHE 9 HD2 PHE 9 52.622 50.347 7.815 78 HE1 PHE 9 HE1 PHE 9 55.927 53.598 9.595 79 HE2 PHE 9 HE2 PHE 9 52.167 51.541 9.942 80 HZ PHE 9 HZ PHE 9 53.823 53.159 10.838 81 H ALA 10 H ALA 10 57.267 49.191 4.841 82 HA ALA 10 HA ALA 10 56.074 48.026 2.535 83 1HB ALA 10 1HB ALA 10 58.065 49.481 2.481 84 2HB ALA 10 2HB ALA 10 59.009 48.232 3.324 85 3HB ALA 10 3HB ALA 10 58.379 47.920 1.692 86 H LYS 11 H LYS 11 57.971 46.624 5.234 87 HA LYS 11 HA LYS 11 57.978 43.927 4.160 88 1HB LYS 11 1HB LYS 11 58.426 45.083 6.937 89 2HB LYS 11 2HB LYS 11 58.529 43.351 6.555 90 1HG LYS 11 2HG LYS 11 60.322 43.730 4.959 91 2HG LYS 11 1HG LYS 11 60.164 45.484 5.125 92 1HD LYS 11 1HD LYS 11 62.077 44.730 6.399 93 2HD LYS 11 2HD LYS 11 60.831 45.323 7.514 94 1HE LYS 11 1HE LYS 11 60.156 43.007 8.020 95 2HE LYS 11 2HE LYS 11 61.310 42.391 6.817 96 1HZ LYS 11 1HZ LYS 11 63.066 43.320 8.129 97 2HZ LYS 11 2HZ LYS 11 61.992 43.896 9.240 98 3HZ LYS 11 3HZ LYS 11 62.166 42.270 9.029 99 H GLY 12 H GLY 12 55.705 45.911 6.016 100 1HA GLY 12 1HA GLY 12 53.957 43.660 6.620 101 2HA GLY 12 2HA GLY 12 53.579 45.397 6.821 102 H VAL 13 H VAL 13 54.413 45.934 3.949 103 HA VAL 13 HA VAL 13 52.236 44.565 2.504 104 HB VAL 13 HB VAL 13 54.228 46.686 1.591 105 1HG1 VAL 13 1HG2 VAL 13 52.525 47.124 -0.194 106 2HG1 VAL 13 2HG2 VAL 13 53.230 45.513 -0.341 107 3HG1 VAL 13 3HG2 VAL 13 51.611 45.706 0.371 108 1HG2 VAL 13 1HG1 VAL 13 52.325 48.288 1.811 109 2HG2 VAL 13 2HG1 VAL 13 52.777 47.604 3.377 110 3HG2 VAL 13 3HG1 VAL 13 51.339 46.996 2.529 111 H GLY 14 H GLY 14 54.101 43.036 3.676 112 1HA GLY 14 1HA GLY 14 55.156 41.555 1.345 113 2HA GLY 14 2HA GLY 14 56.240 41.871 2.722 114 H LYS 15 H LYS 15 54.083 41.884 4.695 115 HA LYS 15 HA LYS 15 53.697 39.017 5.159 116 1HB LYS 15 2HB LYS 15 52.701 41.489 6.604 117 2HB LYS 15 1HB LYS 15 52.537 39.813 7.172 118 1HG LYS 15 1HG LYS 15 54.999 39.592 7.314 119 2HG LYS 15 2HG LYS 15 55.193 41.185 6.569 120 1HD LYS 15 2HD LYS 15 55.507 41.772 8.710 121 2HD LYS 15 1HD LYS 15 53.765 42.049 8.603 122 1HE LYS 15 2HE LYS 15 55.135 39.559 9.737 123 2HE LYS 15 1HE LYS 15 54.418 40.873 10.686 124 1HZ LYS 15 1HZ LYS 15 52.930 39.067 10.537 125 2HZ LYS 15 2HZ LYS 15 52.303 40.335 9.689 126 3HZ LYS 15 3HZ LYS 15 52.982 39.058 8.892 127 H ASP 16 H ASP 16 51.862 41.896 4.141 128 HA ASP 16 HA ASP 16 49.276 40.653 3.985 129 1HB ASP 16 1HB ASP 16 49.685 43.110 4.085 130 2HB ASP 16 2HB ASP 16 50.451 43.029 2.489 131 HD2 ASP 16 HD2 ASP 16 46.418 42.460 2.779 132 H LEU 17 H LEU 17 52.175 40.531 2.058 133 HA LEU 17 HA LEU 17 50.796 39.608 -0.394 134 1HB LEU 17 2HB LEU 17 53.724 40.122 0.269 135 2HB LEU 17 1HB LEU 17 53.114 39.556 -1.282 136 HG LEU 17 HG LEU 17 52.510 42.242 0.053 137 1HD1 LEU 17 1HD2 LEU 17 53.787 43.169 -1.835 138 2HD1 LEU 17 2HD2 LEU 17 54.782 42.007 -0.933 139 3HD1 LEU 17 3HD2 LEU 17 54.051 41.534 -2.481 140 1HD2 LEU 17 1HD1 LEU 17 51.411 42.809 -2.132 141 2HD2 LEU 17 2HD1 LEU 17 51.535 41.100 -2.603 142 3HD2 LEU 17 3HD1 LEU 17 50.528 41.581 -1.215 143 H VAL 18 H VAL 18 53.128 38.568 2.139 144 HA VAL 18 HA VAL 18 53.234 35.857 1.127 145 HB VAL 18 HB VAL 18 53.994 37.149 3.771 146 1HG1 VAL 18 1HG2 VAL 18 54.272 34.227 2.946 147 2HG1 VAL 18 2HG2 VAL 18 53.332 34.856 4.320 148 3HG1 VAL 18 3HG2 VAL 18 55.098 34.980 4.328 149 1HG2 VAL 18 1HG1 VAL 18 55.631 35.819 1.561 150 2HG2 VAL 18 2HG1 VAL 18 56.272 36.646 2.997 151 3HG2 VAL 18 3HG1 VAL 18 55.427 37.571 1.740 152 H LYS 19 H LYS 19 51.089 37.773 3.120 153 HA LYS 19 HA LYS 19 49.571 35.549 4.235 154 1HB LYS 19 2HB LYS 19 49.705 37.731 5.332 155 2HB LYS 19 1HB LYS 19 48.905 38.494 3.940 156 1HG LYS 19 2HG LYS 19 46.894 37.141 4.308 157 2HG LYS 19 1HG LYS 19 47.699 36.250 5.621 158 1HD LYS 19 1HD LYS 19 47.947 38.337 6.901 159 2HD LYS 19 2HD LYS 19 47.153 39.246 5.596 160 1HE LYS 19 2HE LYS 19 45.885 36.982 7.205 161 2HE LYS 19 1HE LYS 19 45.599 38.713 7.468 162 1HZ LYS 19 1HZ LYS 19 44.967 37.228 5.019 163 2HZ LYS 19 2HZ LYS 19 43.888 37.750 6.150 164 3HZ LYS 19 3HZ LYS 19 44.730 38.844 5.249 165 H GLY 20 H GLY 20 49.441 37.686 1.401 166 1HA GLY 20 1HA GLY 20 46.780 36.978 0.547 167 2HA GLY 20 2HA GLY 20 48.013 37.864 -0.373 168 H ALA 21 H ALA 21 50.119 36.107 -0.457 169 HA ALA 21 HA ALA 21 49.433 34.142 -2.398 170 1HB ALA 21 1HB ALA 21 51.697 35.096 -2.147 171 2HB ALA 21 2HB ALA 21 51.844 34.339 -0.544 172 3HB ALA 21 3HB ALA 21 51.732 33.325 -2.001 173 H ALA 22 H ALA 22 49.643 34.127 1.133 174 HA ALA 22 HA ALA 22 49.292 31.228 1.308 175 1HB ALA 22 1HB ALA 22 49.334 31.604 3.723 176 2HB ALA 22 2HB ALA 22 49.290 33.361 3.466 177 3HB ALA 22 3HB ALA 22 50.695 32.416 2.921 178 H GLN 23 H GLN 23 47.160 33.983 1.016 179 HA GLN 23 HA GLN 23 45.013 32.936 2.621 180 1HB GLN 23 2HB GLN 23 45.417 35.339 2.222 181 2HB GLN 23 1HB GLN 23 45.040 35.118 0.500 182 1HG GLN 23 1HG GLN 23 42.769 34.375 1.078 183 2HG GLN 23 2HG GLN 23 43.146 34.508 2.808 184 1HE2 GLN 23 1HE2 GLN 23 43.989 36.757 3.504 185 2HE2 GLN 23 2HE2 GLN 23 43.160 38.137 2.816 186 H GLY 24 H GLY 24 45.826 32.958 -0.865 187 1HA GLY 24 2HA GLY 24 43.669 30.956 -1.379 188 2HA GLY 24 1HA GLY 24 43.935 32.351 -2.450 189 H VAL 25 H VAL 25 45.644 29.626 -0.876 190 HA VAL 25 HA VAL 25 48.074 30.026 -2.105 191 HB VAL 25 HB VAL 25 46.941 27.338 -1.188 192 1HG1 VAL 25 1HG1 VAL 25 49.311 26.896 -0.626 193 2HG1 VAL 25 2HG1 VAL 25 49.115 27.223 -2.363 194 3HG1 VAL 25 3HG1 VAL 25 49.762 28.485 -1.286 195 1HG2 VAL 25 1HG2 VAL 25 48.250 29.565 0.415 196 2HG2 VAL 25 2HG2 VAL 25 47.948 27.924 1.020 197 3HG2 VAL 25 3HG2 VAL 25 46.584 28.974 0.614 198 H LEU 26 H LEU 26 45.507 27.689 -3.034 199 HA LEU 26 HA LEU 26 46.859 26.654 -5.317 200 1HB LEU 26 1HB LEU 26 43.900 26.715 -4.643 201 2HB LEU 26 2HB LEU 26 44.672 25.659 -5.836 202 HG LEU 26 HG LEU 26 45.208 25.632 -2.828 203 1HD1 LEU 26 1HD1 LEU 26 42.973 24.793 -3.452 204 2HD1 LEU 26 2HD1 LEU 26 43.713 23.686 -4.631 205 3HD1 LEU 26 3HD1 LEU 26 44.026 23.475 -2.893 206 1HD2 LEU 26 1HD2 LEU 26 46.414 23.505 -3.343 207 2HD2 LEU 26 2HD2 LEU 26 47.213 24.916 -4.052 208 3HD2 LEU 26 3HD2 LEU 26 46.232 23.842 -5.078 209 H SER 27 H SER 27 44.469 29.308 -4.924 210 HA SER 27 HA SER 27 44.013 29.642 -7.716 211 1HB SER 27 2HB SER 27 42.947 31.743 -7.074 212 2HB SER 27 1HB SER 27 42.455 30.422 -5.994 213 HG SER 27 HG SER 27 43.007 32.334 -4.865 214 H THR 28 H THR 28 46.304 31.203 -5.444 215 HA THR 28 HA THR 28 47.265 33.247 -7.092 216 HB THR 28 HB THR 28 48.676 31.611 -4.951 217 HG1 THR 28 HG1 THR 28 46.798 32.796 -4.346 218 1HG2 THR 28 1HG2 THR 28 50.377 32.770 -6.282 219 2HG2 THR 28 2HG2 THR 28 49.426 34.273 -6.236 220 3HG2 THR 28 3HG2 THR 28 50.151 33.626 -4.749 221 H VAL 29 H VAL 29 47.957 29.770 -7.205 222 HA VAL 29 HA VAL 29 50.290 29.903 -8.814 223 HB VAL 29 HB VAL 29 48.126 27.765 -8.655 224 1HG1 VAL 29 1HG1 VAL 29 49.570 27.475 -10.614 225 2HG1 VAL 29 2HG1 VAL 29 49.950 26.256 -9.381 226 3HG1 VAL 29 3HG1 VAL 29 51.018 27.665 -9.592 227 1HG2 VAL 29 1HG2 VAL 29 49.674 26.687 -7.033 228 2HG2 VAL 29 2HG2 VAL 29 49.089 28.245 -6.427 229 3HG2 VAL 29 3HG2 VAL 29 50.730 28.115 -7.101 230 H SER 30 H SER 30 46.788 29.863 -9.585 231 HA SER 30 HA SER 30 47.258 29.893 -12.451 232 1HB SER 30 1HB SER 30 45.229 28.883 -11.462 233 2HB SER 30 2HB SER 30 44.746 30.464 -10.814 234 HG SER 30 HG SER 30 44.695 31.225 -12.976 235 H CYS 31 H CYS 31 45.803 32.306 -10.202 236 HA CYS 31 HA CYS 31 46.252 34.439 -12.136 237 1HB CYS 31 1HB CYS 31 45.335 35.885 -10.320 238 2HB CYS 31 2HB CYS 31 44.289 34.589 -10.888 239 H LYS 32 H LYS 32 48.681 32.963 -11.197 240 HA LYS 32 HA LYS 32 50.130 35.052 -9.699 241 1HB LYS 32 1HB LYS 32 51.701 33.617 -9.253 242 2HB LYS 32 2HB LYS 32 50.334 32.490 -9.414 243 1HG LYS 32 2HG LYS 32 51.065 32.127 -11.822 244 2HG LYS 32 1HG LYS 32 52.465 33.165 -11.490 245 1HD LYS 32 2HD LYS 32 51.893 30.431 -10.322 246 2HD LYS 32 1HD LYS 32 53.206 31.044 -11.338 247 1HE LYS 32 1HE LYS 32 54.209 30.851 -9.245 248 2HE LYS 32 2HE LYS 32 53.836 32.578 -9.366 249 1HZ LYS 32 1HZ LYS 32 53.242 31.640 -7.248 250 2HZ LYS 32 2HZ LYS 32 51.873 32.123 -8.025 251 3HZ LYS 32 3HZ LYS 32 52.261 30.524 -7.960 252 H LEU 33 H LEU 33 49.619 33.983 -13.000 253 HA LEU 33 HA LEU 33 52.017 34.940 -14.135 254 1HB LEU 33 2HB LEU 33 50.782 34.768 -16.291 255 2HB LEU 33 1HB LEU 33 50.756 33.330 -15.270 256 HG LEU 33 HG LEU 33 48.448 33.825 -14.550 257 1HD1 LEU 33 1HD2 LEU 33 47.144 35.518 -15.882 258 2HD1 LEU 33 2HD2 LEU 33 48.283 36.240 -14.743 259 3HD1 LEU 33 3HD2 LEU 33 48.683 36.175 -16.480 260 1HD2 LEU 33 1HD1 LEU 33 47.398 33.293 -16.702 261 2HD2 LEU 33 2HD1 LEU 33 48.917 32.397 -16.503 262 3HD2 LEU 33 3HD1 LEU 33 48.861 33.824 -17.563 263 H ALA 34 H ALA 34 49.862 36.862 -12.583 264 HA ALA 34 HA ALA 34 50.892 39.237 -14.003 265 1HB ALA 34 1HB ALA 34 47.944 38.771 -13.397 266 2HB ALA 34 2HB ALA 34 48.685 38.817 -15.012 267 3HB ALA 34 3HB ALA 34 48.655 40.283 -14.011 268 H LYS 35 H LYS 35 50.619 37.524 -11.209 269 HA LYS 35 HA LYS 35 50.595 37.929 -9.010 270 1HB LYS 35 1HB LYS 35 52.134 40.393 -9.901 271 2HB LYS 35 2HB LYS 35 52.168 39.655 -8.294 272 1HG LYS 35 2HG LYS 35 53.106 38.365 -10.891 273 2HG LYS 35 1HG LYS 35 54.138 39.015 -9.618 274 1HD LYS 35 2HD LYS 35 52.276 36.606 -9.384 275 2HD LYS 35 1HD LYS 35 54.039 36.586 -9.480 276 1HE LYS 35 2HE LYS 35 52.386 37.752 -7.199 277 2HE LYS 35 1HE LYS 35 53.314 36.246 -7.182 278 1HZ LYS 35 1HZ LYS 35 54.512 38.009 -6.157 279 2HZ LYS 35 2HZ LYS 35 55.297 37.521 -7.523 280 3HZ LYS 35 3HZ LYS 35 54.440 38.931 -7.521 281 H THR 36 H THR 36 48.229 38.891 -10.356 282 HA THR 36 HA THR 36 47.284 41.214 -8.874 283 HB THR 36 HB THR 36 45.052 40.321 -9.562 284 HG1 THR 36 HG1 THR 36 45.085 38.512 -10.965 285 1HG2 THR 36 1HG2 THR 36 47.116 40.441 -11.806 286 2HG2 THR 36 2HG2 THR 36 46.312 41.837 -11.054 287 3HG2 THR 36 3HG2 THR 36 45.362 40.656 -11.981 288 H CYS 37 H CYS 37 47.782 37.782 -8.373 289 HA CYS 37 HA CYS 37 46.365 37.810 -5.754 290 1HB CYS 37 1HB CYS 37 47.331 35.608 -7.597 291 2HB CYS 37 2HB CYS 37 46.655 35.328 -5.989 292 HXT CYS 37 HO OH 38 50.345 36.925 -5.934 Start of MODEL 3 1 1H GLY 1 1H GLY 1 67.664 57.733 16.040 2 2H GLY 1 2H GLY 1 67.476 58.669 14.696 3 3H GLY 1 3H GLY 1 68.962 58.523 15.397 4 1HA GLY 1 2HA GLY 1 68.868 57.217 13.415 5 2HA GLY 1 1HA GLY 1 69.071 56.214 14.863 6 H ILE 2 H ILE 2 66.452 57.674 12.874 7 HA ILE 2 HA ILE 2 64.623 55.483 13.522 8 HB ILE 2 HB ILE 2 63.109 56.837 11.979 9 1HG1 ILE 2 1HG1 ILE 2 63.608 59.191 11.678 10 2HG1 ILE 2 2HG1 ILE 2 65.216 59.009 12.375 11 1HG2 ILE 2 1HG2 ILE 2 62.989 56.854 14.430 12 2HG2 ILE 2 2HG2 ILE 2 64.228 58.128 14.492 13 3HG2 ILE 2 3HG2 ILE 2 62.642 58.461 13.763 14 1HD1 ILE 2 1HD1 ILE 2 65.888 57.588 10.460 15 2HD1 ILE 2 2HD1 ILE 2 64.233 57.701 9.800 16 3HD1 ILE 2 3HD1 ILE 2 65.255 59.146 9.907 17 H LEU 3 H LEU 3 66.984 54.647 12.238 18 HA LEU 3 HA LEU 3 66.502 54.351 9.395 19 1HB LEU 3 2HB LEU 3 68.588 53.155 11.264 20 2HB LEU 3 1HB LEU 3 68.645 53.122 9.498 21 HG LEU 3 HG LEU 3 68.717 55.637 11.234 22 1HD1 LEU 3 1HD2 LEU 3 71.065 55.774 10.512 23 2HD1 LEU 3 2HD2 LEU 3 70.759 54.264 11.396 24 3HD1 LEU 3 3HD2 LEU 3 70.892 54.243 9.623 25 1HD2 LEU 3 1HD1 LEU 3 69.353 56.765 9.097 26 2HD2 LEU 3 2HD1 LEU 3 69.004 55.260 8.219 27 3HD2 LEU 3 3HD1 LEU 3 67.699 56.138 9.054 28 H ASP 4 H ASP 4 66.066 52.374 12.298 29 HA ASP 4 HA ASP 4 65.385 49.979 10.693 30 1HB ASP 4 1HB ASP 4 66.838 49.745 12.700 31 2HB ASP 4 2HB ASP 4 65.556 50.451 13.698 32 HD2 ASP 4 HD2 ASP 4 65.023 46.716 12.129 33 H THR 5 H THR 5 64.117 52.823 12.197 34 HA THR 5 HA THR 5 61.648 51.769 13.062 35 HB THR 5 HB THR 5 62.424 54.627 12.373 36 HG1 THR 5 HG1 THR 5 62.763 54.691 14.641 37 1HG2 THR 5 1HG2 THR 5 60.139 53.526 14.066 38 2HG2 THR 5 2HG2 THR 5 59.970 54.376 12.511 39 3HG2 THR 5 3HG2 THR 5 60.591 55.239 13.931 40 H LEU 6 H LEU 6 62.533 53.755 10.177 41 HA LEU 6 HA LEU 6 60.016 53.598 8.891 42 1HB LEU 6 2HB LEU 6 61.189 54.367 6.919 43 2HB LEU 6 1HB LEU 6 61.739 55.223 8.362 44 HG LEU 6 HG LEU 6 63.641 53.308 8.318 45 1HD1 LEU 6 1HD2 LEU 6 64.345 52.878 5.995 46 2HD1 LEU 6 2HD2 LEU 6 62.721 52.211 6.232 47 3HD1 LEU 6 3HD2 LEU 6 62.927 53.750 5.378 48 1HD2 LEU 6 1HD1 LEU 6 65.060 54.932 7.121 49 2HD2 LEU 6 2HD1 LEU 6 63.608 55.804 6.576 50 3HD2 LEU 6 3HD1 LEU 6 64.013 55.738 8.306 51 H LYS 7 H LYS 7 62.799 51.369 8.948 52 HA LYS 7 HA LYS 7 62.006 49.657 6.849 53 1HB LYS 7 2HB LYS 7 64.234 49.783 7.837 54 2HB LYS 7 1HB LYS 7 63.614 49.116 9.361 55 1HG LYS 7 2HG LYS 7 62.991 47.032 8.242 56 2HG LYS 7 1HG LYS 7 63.463 47.709 6.661 57 1HD LYS 7 1HD LYS 7 65.769 47.988 7.451 58 2HD LYS 7 2HD LYS 7 65.310 47.367 9.054 59 1HE LYS 7 2HE LYS 7 64.675 45.194 8.027 60 2HE LYS 7 1HE LYS 7 65.138 45.814 6.428 61 1HZ LYS 7 1HZ LYS 7 66.932 45.485 8.726 62 2HZ LYS 7 2HZ LYS 7 67.364 46.060 7.242 63 3HZ LYS 7 3HZ LYS 7 66.858 44.499 7.406 64 H GLN 8 H GLN 8 61.292 49.660 10.373 65 HA GLN 8 HA GLN 8 60.010 47.188 10.563 66 1HB GLN 8 1HB GLN 8 60.772 48.639 12.415 67 2HB GLN 8 2HB GLN 8 59.432 49.752 12.116 68 1HG GLN 8 2HG GLN 8 59.091 46.800 12.773 69 2HG GLN 8 1HG GLN 8 59.117 48.090 13.989 70 1HE2 GLN 8 1HE2 GLN 8 57.016 46.154 12.374 71 2HE2 GLN 8 2HE2 GLN 8 55.616 47.203 12.317 72 H PHE 9 H PHE 9 58.500 50.434 10.105 73 HA PHE 9 HA PHE 9 55.873 49.360 9.646 74 1HB PHE 9 2HB PHE 9 57.095 52.073 9.021 75 2HB PHE 9 1HB PHE 9 55.375 51.687 8.901 76 HD1 PHE 9 HD1 PHE 9 57.945 52.889 11.077 77 HD2 PHE 9 HD2 PHE 9 54.196 50.776 11.029 78 HE1 PHE 9 HE1 PHE 9 57.637 53.376 13.488 79 HE2 PHE 9 HE2 PHE 9 53.883 51.281 13.436 80 HZ PHE 9 HZ PHE 9 55.608 52.572 14.670 81 H ALA 10 H ALA 10 58.610 50.123 7.495 82 HA ALA 10 HA ALA 10 57.091 49.918 5.068 83 1HB ALA 10 1HB ALA 10 59.318 50.972 5.153 84 2HB ALA 10 2HB ALA 10 59.293 49.624 3.996 85 3HB ALA 10 3HB ALA 10 60.051 49.410 5.588 86 H LYS 11 H LYS 11 58.966 47.597 7.063 87 HA LYS 11 HA LYS 11 57.938 45.284 5.535 88 1HB LYS 11 1HB LYS 11 59.638 45.487 8.054 89 2HB LYS 11 2HB LYS 11 59.189 43.983 7.221 90 1HG LYS 11 1HG LYS 11 60.366 44.723 5.187 91 2HG LYS 11 2HG LYS 11 60.755 46.273 5.952 92 1HD LYS 11 2HD LYS 11 62.700 44.881 6.061 93 2HD LYS 11 1HD LYS 11 62.058 45.067 7.704 94 1HE LYS 11 1HE LYS 11 61.037 42.825 7.575 95 2HE LYS 11 2HE LYS 11 61.568 42.667 5.886 96 1HZ LYS 11 1HZ LYS 11 63.028 41.554 7.393 97 2HZ LYS 11 2HZ LYS 11 63.322 42.951 8.219 98 3HZ LYS 11 3HZ LYS 11 63.818 42.799 6.654 99 H GLY 12 H GLY 12 55.865 46.734 6.203 100 1HA GLY 12 2HA GLY 12 54.397 45.344 8.377 101 2HA GLY 12 1HA GLY 12 54.825 47.066 8.488 102 H VAL 13 H VAL 13 54.430 48.421 6.466 103 HA VAL 13 HA VAL 13 51.798 47.959 5.299 104 HB VAL 13 HB VAL 13 53.243 50.175 5.627 105 1HG1 VAL 13 1HG2 VAL 13 54.540 50.858 3.754 106 2HG1 VAL 13 2HG2 VAL 13 55.166 49.290 4.301 107 3HG1 VAL 13 3HG2 VAL 13 54.156 49.389 2.842 108 1HG2 VAL 13 1HG1 VAL 13 52.019 51.203 3.733 109 2HG2 VAL 13 2HG1 VAL 13 50.977 50.082 4.634 110 3HG2 VAL 13 3HG1 VAL 13 51.673 49.589 3.073 111 H GLY 14 H GLY 14 54.558 46.275 5.433 112 1HA GLY 14 2HA GLY 14 54.713 45.455 2.577 113 2HA GLY 14 1HA GLY 14 56.029 45.347 3.759 114 H LYS 15 H LYS 15 53.867 44.713 5.877 115 HA LYS 15 HA LYS 15 53.518 41.817 5.373 116 1HB LYS 15 2HB LYS 15 52.951 43.540 7.795 117 2HB LYS 15 1HB LYS 15 52.723 41.784 7.688 118 1HG LYS 15 1HG LYS 15 55.389 43.227 7.359 119 2HG LYS 15 2HG LYS 15 54.842 42.378 8.817 120 1HD LYS 15 1HD LYS 15 54.700 40.258 7.514 121 2HD LYS 15 2HD LYS 15 55.256 41.127 6.068 122 1HE LYS 15 2HE LYS 15 57.131 39.955 7.064 123 2HE LYS 15 1HE LYS 15 57.373 41.703 7.236 124 1HZ LYS 15 1HZ LYS 15 56.608 41.517 9.489 125 2HZ LYS 15 2HZ LYS 15 57.886 40.508 9.235 126 3HZ LYS 15 3HZ LYS 15 56.357 39.896 9.317 127 H ASP 16 H ASP 16 51.873 44.892 5.232 128 HA ASP 16 HA ASP 16 49.180 43.781 5.070 129 1HB ASP 16 1HB ASP 16 49.642 46.114 5.762 130 2HB ASP 16 2HB ASP 16 50.347 46.445 4.169 131 HD2 ASP 16 HD2 ASP 16 49.001 46.423 2.391 132 H LEU 17 H LEU 17 51.990 44.280 2.996 133 HA LEU 17 HA LEU 17 50.477 43.806 0.501 134 1HB LEU 17 1HB LEU 17 53.368 44.505 1.113 135 2HB LEU 17 2HB LEU 17 52.751 44.171 -0.500 136 HG LEU 17 HG LEU 17 51.662 46.418 1.242 137 1HD1 LEU 17 1HD1 LEU 17 53.670 46.513 -1.052 138 2HD1 LEU 17 2HD1 LEU 17 52.977 47.919 -0.213 139 3HD1 LEU 17 3HD1 LEU 17 54.043 46.801 0.662 140 1HD2 LEU 17 1HD2 LEU 17 50.760 47.238 -0.932 141 2HD2 LEU 17 2HD2 LEU 17 51.332 45.750 -1.715 142 3HD2 LEU 17 3HD2 LEU 17 50.063 45.679 -0.470 143 H VAL 18 H VAL 18 53.083 42.499 2.660 144 HA VAL 18 HA VAL 18 53.292 40.119 0.988 145 HB VAL 18 HB VAL 18 54.300 40.795 3.748 146 1HG1 VAL 18 1HG1 VAL 18 54.425 38.109 2.360 147 2HG1 VAL 18 2HG1 VAL 18 55.419 38.598 3.756 148 3HG1 VAL 18 3HG1 VAL 18 53.659 38.476 3.930 149 1HG2 VAL 18 1HG2 VAL 18 56.463 40.502 2.643 150 2HG2 VAL 18 2HG2 VAL 18 55.667 39.926 1.163 151 3HG2 VAL 18 3HG2 VAL 18 55.486 41.617 1.664 152 H LYS 19 H LYS 19 51.199 41.281 3.535 153 HA LYS 19 HA LYS 19 49.905 38.766 4.153 154 1HB LYS 19 2HB LYS 19 49.849 40.707 5.636 155 2HB LYS 19 1HB LYS 19 48.975 41.655 4.422 156 1HG LYS 19 2HG LYS 19 47.900 39.042 5.565 157 2HG LYS 19 1HG LYS 19 47.607 40.622 6.314 158 1HD LYS 19 1HD LYS 19 46.569 41.448 4.224 159 2HD LYS 19 2HD LYS 19 46.775 39.842 3.492 160 1HE LYS 19 2HE LYS 19 45.376 38.843 5.265 161 2HE LYS 19 1HE LYS 19 45.196 40.435 6.030 162 1HZ LYS 19 1HZ LYS 19 44.102 41.196 4.057 163 2HZ LYS 19 2HZ LYS 19 44.266 39.718 3.343 164 3HZ LYS 19 3HZ LYS 19 43.320 39.885 4.684 165 H GLY 20 H GLY 20 49.467 41.401 1.817 166 1HA GLY 20 2HA GLY 20 46.964 40.480 0.705 167 2HA GLY 20 1HA GLY 20 48.062 41.707 0.038 168 H ALA 21 H ALA 21 50.447 40.199 -0.141 169 HA ALA 21 HA ALA 21 50.066 38.593 -2.491 170 1HB ALA 21 1HB ALA 21 52.179 39.781 -1.954 171 2HB ALA 21 2HB ALA 21 52.410 38.707 -0.553 172 3HB ALA 21 3HB ALA 21 52.433 38.038 -2.198 173 H ALA 22 H ALA 22 50.107 37.983 0.992 174 HA ALA 22 HA ALA 22 50.099 35.069 0.591 175 1HB ALA 22 1HB ALA 22 50.207 34.950 3.025 176 2HB ALA 22 2HB ALA 22 51.459 36.038 2.396 177 3HB ALA 22 3HB ALA 22 49.990 36.710 3.141 178 H GLN 23 H GLN 23 47.881 36.515 -0.562 179 HA GLN 23 HA GLN 23 45.591 35.994 1.216 180 1HB GLN 23 2HB GLN 23 45.621 38.047 -0.084 181 2HB GLN 23 1HB GLN 23 45.807 37.135 -1.597 182 1HG GLN 23 1HG GLN 23 43.610 36.070 -1.233 183 2HG GLN 23 2HG GLN 23 43.466 36.889 0.336 184 1HE2 GLN 23 1HE2 GLN 23 44.054 37.641 -3.153 185 2HE2 GLN 23 2HE2 GLN 23 43.081 39.096 -3.177 186 H GLY 24 H GLY 24 46.599 35.074 -2.149 187 1HA GLY 24 1HA GLY 24 46.153 32.280 -1.730 188 2HA GLY 24 2HA GLY 24 44.769 33.019 -2.573 189 H VAL 25 H VAL 25 48.345 33.415 -2.605 190 HA VAL 25 HA VAL 25 48.289 33.922 -5.463 191 HB VAL 25 HB VAL 25 49.619 35.245 -3.892 192 1HG1 VAL 25 1HG1 VAL 25 50.380 33.412 -2.373 193 2HG1 VAL 25 2HG1 VAL 25 51.474 32.847 -3.661 194 3HG1 VAL 25 3HG1 VAL 25 51.694 34.454 -2.952 195 1HG2 VAL 25 1HG2 VAL 25 50.191 35.135 -6.296 196 2HG2 VAL 25 2HG2 VAL 25 51.636 35.365 -5.290 197 3HG2 VAL 25 3HG2 VAL 25 51.280 33.766 -5.976 198 H LEU 26 H LEU 26 49.576 31.467 -3.233 199 HA LEU 26 HA LEU 26 50.999 29.857 -5.032 200 1HB LEU 26 2HB LEU 26 49.383 29.034 -2.590 201 2HB LEU 26 1HB LEU 26 50.659 28.078 -3.356 202 HG LEU 26 HG LEU 26 51.046 30.797 -2.021 203 1HD1 LEU 26 1HD2 LEU 26 51.829 27.988 -1.146 204 2HD1 LEU 26 2HD2 LEU 26 52.223 29.499 -0.295 205 3HD1 LEU 26 3HD2 LEU 26 50.531 28.977 -0.438 206 1HD2 LEU 26 1HD1 LEU 26 52.697 30.478 -3.816 207 2HD2 LEU 26 2HD1 LEU 26 53.046 28.834 -3.231 208 3HD2 LEU 26 3HD1 LEU 26 53.472 30.248 -2.242 209 H SER 27 H SER 27 47.508 29.898 -4.267 210 HA SER 27 HA SER 27 46.854 27.570 -5.819 211 1HB SER 27 1HB SER 27 44.538 28.394 -5.548 212 2HB SER 27 2HB SER 27 45.427 28.372 -4.010 213 HG SER 27 HG SER 27 44.272 30.319 -4.332 214 H THR 28 H THR 28 46.798 31.109 -6.470 215 HA THR 28 HA THR 28 45.594 31.058 -8.983 216 HB THR 28 HB THR 28 47.758 32.935 -7.967 217 HG1 THR 28 HG1 THR 28 45.882 32.798 -6.674 218 1HG2 THR 28 1HG2 THR 28 45.724 33.214 -10.224 219 2HG2 THR 28 2HG2 THR 28 46.731 34.531 -9.587 220 3HG2 THR 28 3HG2 THR 28 47.491 33.155 -10.401 221 H VAL 29 H VAL 29 49.052 30.621 -8.145 222 HA VAL 29 HA VAL 29 50.184 30.633 -10.690 223 HB VAL 29 HB VAL 29 50.890 28.956 -8.254 224 1HG1 VAL 29 1HG2 VAL 29 52.507 29.573 -10.764 225 2HG1 VAL 29 2HG2 VAL 29 51.949 27.968 -10.236 226 3HG1 VAL 29 3HG2 VAL 29 53.158 28.840 -9.282 227 1HG2 VAL 29 1HG1 VAL 29 52.586 30.721 -7.896 228 2HG2 VAL 29 2HG1 VAL 29 51.985 31.598 -9.320 229 3HG2 VAL 29 3HG1 VAL 29 50.955 31.414 -7.885 230 H SER 30 H SER 30 48.435 27.987 -9.027 231 HA SER 30 HA SER 30 48.967 26.052 -11.103 232 1HB SER 30 1HB SER 30 48.482 25.401 -8.774 233 2HB SER 30 2HB SER 30 46.863 26.119 -8.891 234 HG SER 30 HG SER 30 46.433 24.630 -10.581 235 H CYS 31 H CYS 31 45.949 27.735 -10.122 236 HA CYS 31 HA CYS 31 44.683 27.094 -12.672 237 1HB CYS 31 1HB CYS 31 42.807 28.458 -11.713 238 2HB CYS 31 2HB CYS 31 43.287 27.026 -10.811 239 H LYS 32 H LYS 32 47.187 28.743 -12.719 240 HA LYS 32 HA LYS 32 46.313 31.366 -13.676 241 1HB LYS 32 2HB LYS 32 48.385 30.740 -12.282 242 2HB LYS 32 1HB LYS 32 49.050 30.055 -13.778 243 1HG LYS 32 1HG LYS 32 48.257 32.921 -13.195 244 2HG LYS 32 2HG LYS 32 49.887 32.237 -13.424 245 1HD LYS 32 1HD LYS 32 49.268 31.667 -15.780 246 2HD LYS 32 2HD LYS 32 47.726 32.511 -15.544 247 1HE LYS 32 2HE LYS 32 48.884 34.607 -15.034 248 2HE LYS 32 1HE LYS 32 50.456 33.799 -15.164 249 1HZ LYS 32 1HZ LYS 32 48.510 34.123 -17.338 250 2HZ LYS 32 2HZ LYS 32 49.973 33.372 -17.463 251 3HZ LYS 32 3HZ LYS 32 49.901 34.989 -17.148 252 H LEU 33 H LEU 33 48.088 28.518 -14.932 253 HA LEU 33 HA LEU 33 48.300 29.172 -17.598 254 1HB LEU 33 1HB LEU 33 49.346 27.218 -16.563 255 2HB LEU 33 2HB LEU 33 47.763 26.456 -16.337 256 HG LEU 33 HG LEU 33 47.460 26.348 -18.803 257 1HD1 LEU 33 1HD1 LEU 33 50.295 27.477 -18.871 258 2HD1 LEU 33 2HD1 LEU 33 48.834 28.257 -19.524 259 3HD1 LEU 33 3HD1 LEU 33 49.444 26.767 -20.260 260 1HD2 LEU 33 1HD2 LEU 33 50.080 25.166 -17.798 261 2HD2 LEU 33 2HD2 LEU 33 48.463 24.465 -17.564 262 3HD2 LEU 33 3HD2 LEU 33 49.144 24.597 -19.199 263 H ALA 34 H ALA 34 45.612 27.173 -16.211 264 HA ALA 34 HA ALA 34 43.983 27.458 -18.567 265 1HB ALA 34 1HB ALA 34 42.238 26.394 -17.169 266 2HB ALA 34 2HB ALA 34 43.255 26.624 -15.728 267 3HB ALA 34 3HB ALA 34 43.783 25.527 -17.026 268 H LYS 35 H LYS 35 44.684 29.411 -15.946 269 HA LYS 35 HA LYS 35 44.028 31.395 -15.161 270 1HB LYS 35 1HB LYS 35 44.683 31.696 -17.664 271 2HB LYS 35 2HB LYS 35 42.954 31.969 -17.917 272 1HG LYS 35 2HG LYS 35 43.924 34.116 -17.546 273 2HG LYS 35 1HG LYS 35 43.122 33.709 -16.012 274 1HD LYS 35 2HD LYS 35 45.367 32.875 -15.150 275 2HD LYS 35 1HD LYS 35 46.084 33.438 -16.675 276 1HE LYS 35 2HE LYS 35 44.592 35.207 -14.692 277 2HE LYS 35 1HE LYS 35 46.356 35.057 -14.800 278 1HZ LYS 35 1HZ LYS 35 45.577 36.951 -15.984 279 2HZ LYS 35 2HZ LYS 35 44.597 36.027 -16.935 280 3HZ LYS 35 3HZ LYS 35 46.235 35.865 -17.037 281 H THR 36 H THR 36 42.274 29.750 -14.187 282 HA THR 36 HA THR 36 39.665 31.183 -14.430 283 HB THR 36 HB THR 36 38.781 29.414 -12.979 284 HG1 THR 36 HG1 THR 36 40.128 27.616 -12.565 285 1HG2 THR 36 1HG2 THR 36 40.278 28.283 -15.385 286 2HG2 THR 36 2HG2 THR 36 38.856 27.575 -14.593 287 3HG2 THR 36 3HG2 THR 36 38.713 29.127 -15.444 288 H CYS 37 H CYS 37 42.524 31.892 -13.235 289 HA CYS 37 HA CYS 37 41.455 33.079 -10.737 290 1HB CYS 37 2HB CYS 37 44.009 31.473 -11.035 291 2HB CYS 37 1HB CYS 37 43.579 32.429 -9.613 292 HXT CYS 37 HO OH 38 43.017 34.643 -9.943 Start of MODEL 4 1 1H GLY 1 1H GLY 1 66.424 55.356 13.310 2 2H GLY 1 2H GLY 1 65.663 56.390 12.274 3 3H GLY 1 3H GLY 1 64.782 55.312 13.159 4 1HA GLY 1 2HA GLY 1 66.725 54.627 11.069 5 2HA GLY 1 1HA GLY 1 65.779 53.470 12.024 6 H ILE 2 H ILE 2 65.264 56.422 10.019 7 HA ILE 2 HA ILE 2 62.595 55.897 9.321 8 HB ILE 2 HB ILE 2 64.141 57.983 9.134 9 1HG1 ILE 2 2HG1 ILE 2 61.812 58.130 8.763 10 2HG1 ILE 2 1HG1 ILE 2 62.681 59.060 7.536 11 1HG2 ILE 2 1HG2 ILE 2 64.497 56.896 6.314 12 2HG2 ILE 2 2HG2 ILE 2 64.962 58.500 6.907 13 3HG2 ILE 2 3HG2 ILE 2 65.760 57.057 7.555 14 1HD1 ILE 2 1HD1 ILE 2 62.323 57.121 5.930 15 2HD1 ILE 2 2HD1 ILE 2 61.261 56.399 7.171 16 3HD1 ILE 2 3HD1 ILE 2 60.853 57.962 6.456 17 H LEU 3 H LEU 3 65.672 54.776 7.938 18 HA LEU 3 HA LEU 3 64.560 53.618 5.557 19 1HB LEU 3 1HB LEU 3 67.118 52.987 7.078 20 2HB LEU 3 2HB LEU 3 66.748 52.479 5.424 21 HG LEU 3 HG LEU 3 67.059 55.366 6.373 22 1HD1 LEU 3 1HD1 LEU 3 68.847 53.597 4.657 23 2HD1 LEU 3 2HD1 LEU 3 69.131 55.309 5.047 24 3HD1 LEU 3 3HD1 LEU 3 69.169 54.088 6.336 25 1HD2 LEU 3 1HD2 LEU 3 67.053 55.882 3.926 26 2HD2 LEU 3 2HD2 LEU 3 66.596 54.197 3.591 27 3HD2 LEU 3 3HD2 LEU 3 65.490 55.268 4.485 28 H ASP 4 H ASP 4 64.521 52.599 8.890 29 HA ASP 4 HA ASP 4 64.082 49.759 8.192 30 1HB ASP 4 2HB ASP 4 64.306 51.198 10.871 31 2HB ASP 4 1HB ASP 4 64.129 49.456 10.626 32 HD2 ASP 4 HD2 ASP 4 67.456 49.084 9.365 33 H THR 5 H THR 5 62.560 52.824 8.905 34 HA THR 5 HA THR 5 60.223 51.732 10.067 35 HB THR 5 HB THR 5 60.641 54.448 8.755 36 HG1 THR 5 HG1 THR 5 61.997 54.000 10.538 37 1HG2 THR 5 1HG2 THR 5 58.491 53.456 10.675 38 2HG2 THR 5 2HG2 THR 5 58.242 53.922 8.976 39 3HG2 THR 5 3HG2 THR 5 58.726 55.144 10.168 40 H LEU 6 H LEU 6 60.944 53.086 6.812 41 HA LEU 6 HA LEU 6 58.492 52.282 5.593 42 1HB LEU 6 2HB LEU 6 59.607 52.797 3.500 43 2HB LEU 6 1HB LEU 6 59.903 54.036 4.724 44 HG LEU 6 HG LEU 6 62.135 52.589 5.137 45 1HD1 LEU 6 1HD1 LEU 6 63.041 51.792 2.987 46 2HD1 LEU 6 2HD1 LEU 6 61.577 50.874 3.373 47 3HD1 LEU 6 3HD1 LEU 6 61.510 52.177 2.173 48 1HD2 LEU 6 1HD2 LEU 6 62.040 54.970 4.561 49 2HD2 LEU 6 2HD2 LEU 6 63.265 54.146 3.574 50 3HD2 LEU 6 3HD2 LEU 6 61.691 54.565 2.864 51 H LYS 7 H LYS 7 61.576 50.635 6.203 52 HA LYS 7 HA LYS 7 61.218 48.393 4.537 53 1HB LYS 7 2HB LYS 7 63.310 49.152 5.752 54 2HB LYS 7 1HB LYS 7 62.589 48.533 7.248 55 1HG LYS 7 1HG LYS 7 64.081 46.868 6.365 56 2HG LYS 7 2HG LYS 7 62.420 46.268 6.166 57 1HD LYS 7 1HD LYS 7 62.445 47.027 3.801 58 2HD LYS 7 2HD LYS 7 64.089 47.665 4.026 59 1HE LYS 7 2HE LYS 7 64.898 45.377 4.555 60 2HE LYS 7 1HE LYS 7 63.256 44.744 4.316 61 1HZ LYS 7 1HZ LYS 7 64.610 44.454 2.385 62 2HZ LYS 7 2HZ LYS 7 63.368 45.487 2.054 63 3HZ LYS 7 3HZ LYS 7 64.893 46.075 2.277 64 H GLN 8 H GLN 8 60.303 49.020 7.952 65 HA GLN 8 HA GLN 8 59.136 46.516 8.525 66 1HB GLN 8 1HB GLN 8 59.828 48.302 10.129 67 2HB GLN 8 2HB GLN 8 58.425 49.265 9.651 68 1HG GLN 8 2HG GLN 8 58.317 46.450 10.810 69 2HG GLN 8 1HG GLN 8 58.151 47.939 11.758 70 1HE2 GLN 8 2HE2 GLN 8 56.313 45.518 10.706 71 2HE2 GLN 8 1HE2 GLN 8 54.825 46.359 10.328 72 H PHE 9 H PHE 9 57.685 49.611 7.401 73 HA PHE 9 HA PHE 9 55.020 48.697 7.174 74 1HB PHE 9 1HB PHE 9 55.661 51.056 7.166 75 2HB PHE 9 2HB PHE 9 56.512 50.847 5.633 76 HD1 PHE 9 HD1 PHE 9 55.338 50.893 3.541 77 HD2 PHE 9 HD2 PHE 9 53.147 50.768 7.244 78 HE1 PHE 9 HE1 PHE 9 53.232 51.337 2.311 79 HE2 PHE 9 HE2 PHE 9 51.041 51.211 6.010 80 HZ PHE 9 HZ PHE 9 51.082 51.497 3.543 81 H ALA 10 H ALA 10 57.645 48.879 4.711 82 HA ALA 10 HA ALA 10 56.186 47.740 2.564 83 1HB ALA 10 1HB ALA 10 58.318 48.939 2.293 84 2HB ALA 10 2HB ALA 10 59.169 47.648 3.172 85 3HB ALA 10 3HB ALA 10 58.413 47.305 1.600 86 H LYS 11 H LYS 11 58.160 46.273 5.175 87 HA LYS 11 HA LYS 11 57.859 43.557 4.293 88 1HB LYS 11 2HB LYS 11 59.642 44.353 5.804 89 2HB LYS 11 1HB LYS 11 58.432 44.726 7.048 90 1HG LYS 11 1HG LYS 11 57.804 42.347 7.183 91 2HG LYS 11 2HG LYS 11 58.936 41.959 5.865 92 1HD LYS 11 1HD LYS 11 60.820 42.768 7.247 93 2HD LYS 11 2HD LYS 11 59.690 43.174 8.558 94 1HE LYS 11 2HE LYS 11 59.018 40.795 8.721 95 2HE LYS 11 1HE LYS 11 60.136 40.385 7.403 96 1HZ LYS 11 1HZ LYS 11 60.891 41.522 10.000 97 2HZ LYS 11 2HZ LYS 11 61.930 41.141 8.777 98 3HZ LYS 11 3HZ LYS 11 61.081 39.950 9.539 99 H GLY 12 H GLY 12 55.910 45.775 6.293 100 1HA GLY 12 1HA GLY 12 54.088 43.663 7.126 101 2HA GLY 12 2HA GLY 12 53.894 45.418 7.409 102 H VAL 13 H VAL 13 54.262 45.994 4.471 103 HA VAL 13 HA VAL 13 51.806 44.743 3.368 104 HB VAL 13 HB VAL 13 53.627 46.822 2.106 105 1HG1 VAL 13 1HG1 VAL 13 51.606 47.312 0.710 106 2HG1 VAL 13 2HG1 VAL 13 50.745 45.983 1.512 107 3HG1 VAL 13 3HG1 VAL 13 52.142 45.646 0.472 108 1HG2 VAL 13 1HG2 VAL 13 51.042 47.226 3.680 109 2HG2 VAL 13 2HG2 VAL 13 52.656 47.790 4.163 110 3HG2 VAL 13 3HG2 VAL 13 51.870 48.485 2.739 111 H GLY 14 H GLY 14 53.827 43.145 4.166 112 1HA GLY 14 2HA GLY 14 54.608 41.804 1.644 113 2HA GLY 14 1HA GLY 14 55.847 42.119 2.876 114 H LYS 15 H LYS 15 53.887 41.916 5.091 115 HA LYS 15 HA LYS 15 53.606 38.978 5.327 116 1HB LYS 15 1HB LYS 15 52.999 41.240 7.261 117 2HB LYS 15 2HB LYS 15 52.870 39.505 7.610 118 1HG LYS 15 1HG LYS 15 55.435 40.994 6.893 119 2HG LYS 15 2HG LYS 15 54.959 40.439 8.506 120 1HD LYS 15 1HD LYS 15 54.964 38.089 7.698 121 2HD LYS 15 2HD LYS 15 55.483 38.651 6.092 122 1HE LYS 15 2HE LYS 15 57.523 39.634 7.088 123 2HE LYS 15 1HE LYS 15 57.010 39.077 8.695 124 1HZ LYS 15 1HZ LYS 15 57.596 37.357 6.393 125 2HZ LYS 15 2HZ LYS 15 58.575 37.594 7.699 126 3HZ LYS 15 3HZ LYS 15 57.120 36.839 7.884 127 H ASP 16 H ASP 16 51.730 42.019 5.197 128 HA ASP 16 HA ASP 16 49.118 40.853 5.277 129 1HB ASP 16 1HB ASP 16 49.722 43.259 5.702 130 2HB ASP 16 2HB ASP 16 50.043 43.441 3.972 131 HD2 ASP 16 HD2 ASP 16 48.350 43.391 2.569 132 H LEU 17 H LEU 17 51.626 40.836 2.905 133 HA LEU 17 HA LEU 17 49.871 40.525 0.574 134 1HB LEU 17 2HB LEU 17 51.953 41.866 0.383 135 2HB LEU 17 1HB LEU 17 52.874 40.486 1.029 136 HG LEU 17 HG LEU 17 52.303 39.125 -0.879 137 1HD1 LEU 17 1HD2 LEU 17 50.934 41.640 -1.947 138 2HD1 LEU 17 2HD2 LEU 17 51.288 40.192 -2.915 139 3HD1 LEU 17 3HD2 LEU 17 50.142 40.092 -1.569 140 1HD2 LEU 17 1HD1 LEU 17 54.358 40.485 -0.895 141 2HD2 LEU 17 2HD1 LEU 17 53.701 40.318 -2.537 142 3HD2 LEU 17 3HD1 LEU 17 53.470 41.835 -1.638 143 H VAL 18 H VAL 18 52.229 38.835 2.689 144 HA VAL 18 HA VAL 18 51.848 36.251 1.467 145 HB VAL 18 HB VAL 18 52.917 37.136 4.167 146 1HG1 VAL 18 1HG2 VAL 18 53.716 34.786 4.418 147 2HG1 VAL 18 2HG2 VAL 18 52.732 34.321 3.014 148 3HG1 VAL 18 3HG2 VAL 18 51.952 34.910 4.502 149 1HG2 VAL 18 1HG1 VAL 18 54.236 35.861 1.724 150 2HG2 VAL 18 2HG1 VAL 18 54.296 37.591 2.112 151 3HG2 VAL 18 3HG1 VAL 18 55.059 36.413 3.199 152 H LYS 19 H LYS 19 50.194 38.216 3.896 153 HA LYS 19 HA LYS 19 48.416 36.140 4.865 154 1HB LYS 19 2HB LYS 19 48.973 38.211 6.101 155 2HB LYS 19 1HB LYS 19 48.083 39.156 4.887 156 1HG LYS 19 2HG LYS 19 46.009 37.974 5.434 157 2HG LYS 19 1HG LYS 19 46.883 36.889 6.542 158 1HD LYS 19 2HD LYS 19 47.533 38.817 7.932 159 2HD LYS 19 1HD LYS 19 46.649 39.910 6.844 160 1HE LYS 19 2HE LYS 19 45.417 37.618 8.442 161 2HE LYS 19 1HE LYS 19 45.349 39.334 8.889 162 1HZ LYS 19 1HZ LYS 19 43.372 38.652 7.783 163 2HZ LYS 19 2HZ LYS 19 44.174 39.756 6.858 164 3HZ LYS 19 3HZ LYS 19 44.213 38.157 6.455 165 H GLY 20 H GLY 20 48.503 38.417 2.173 166 1HA GLY 20 1HA GLY 20 45.748 38.091 1.332 167 2HA GLY 20 2HA GLY 20 47.085 38.822 0.417 168 H ALA 21 H ALA 21 48.964 36.827 0.307 169 HA ALA 21 HA ALA 21 47.964 35.012 -1.655 170 1HB ALA 21 1HB ALA 21 50.539 34.942 -0.035 171 2HB ALA 21 2HB ALA 21 50.303 35.805 -1.573 172 3HB ALA 21 3HB ALA 21 50.212 34.030 -1.525 173 H ALA 22 H ALA 22 48.319 34.863 1.859 174 HA ALA 22 HA ALA 22 48.310 32.051 2.188 175 1HB ALA 22 1HB ALA 22 47.575 32.490 4.471 176 2HB ALA 22 2HB ALA 22 48.842 33.638 3.997 177 3HB ALA 22 3HB ALA 22 47.139 34.154 4.042 178 H GLN 23 H GLN 23 45.690 34.307 1.466 179 HA GLN 23 HA GLN 23 43.451 32.791 2.179 180 1HB GLN 23 2HB GLN 23 43.474 35.161 1.460 181 2HB GLN 23 1HB GLN 23 43.831 34.653 -0.203 182 1HG GLN 23 2HG GLN 23 41.708 33.397 -0.281 183 2HG GLN 23 1HG GLN 23 41.368 33.847 1.402 184 1HE2 GLN 23 2HE2 GLN 23 41.395 36.308 1.833 185 2HE2 GLN 23 1HE2 GLN 23 40.635 37.313 0.619 186 H GLY 24 H GLY 24 45.570 32.576 -0.711 187 1HA GLY 24 2HA GLY 24 44.685 29.884 -1.274 188 2HA GLY 24 1HA GLY 24 44.061 31.067 -2.447 189 H VAL 25 H VAL 25 47.030 29.797 -0.912 190 HA VAL 25 HA VAL 25 48.876 31.324 -2.343 191 HB VAL 25 HB VAL 25 50.501 29.606 -1.669 192 1HG1 VAL 25 1HG1 VAL 25 49.754 31.347 -0.088 193 2HG1 VAL 25 2HG1 VAL 25 48.475 30.257 0.504 194 3HG1 VAL 25 3HG1 VAL 25 50.184 29.839 0.745 195 1HG2 VAL 25 1HG2 VAL 25 49.755 27.708 -0.224 196 2HG2 VAL 25 2HG2 VAL 25 48.085 28.001 -0.747 197 3HG2 VAL 25 3HG2 VAL 25 49.330 27.513 -1.925 198 H LEU 26 H LEU 26 47.583 28.073 -3.022 199 HA LEU 26 HA LEU 26 48.940 27.570 -5.457 200 1HB LEU 26 1HB LEU 26 46.148 26.717 -4.613 201 2HB LEU 26 2HB LEU 26 47.129 25.968 -5.881 202 HG LEU 26 HG LEU 26 47.788 26.023 -2.901 203 1HD1 LEU 26 1HD1 LEU 26 46.925 23.764 -4.750 204 2HD1 LEU 26 2HD1 LEU 26 47.352 23.607 -3.031 205 3HD1 LEU 26 3HD1 LEU 26 45.916 24.537 -3.507 206 1HD2 LEU 26 1HD2 LEU 26 49.243 24.730 -5.253 207 2HD2 LEU 26 2HD2 LEU 26 49.591 24.414 -3.539 208 3HD2 LEU 26 3HD2 LEU 26 49.870 26.028 -4.209 209 H SER 27 H SER 27 45.917 29.344 -4.753 210 HA SER 27 HA SER 27 45.204 29.789 -7.496 211 1HB SER 27 1HB SER 27 43.595 29.929 -5.632 212 2HB SER 27 2HB SER 27 44.460 31.338 -4.980 213 HG SER 27 HG SER 27 42.682 31.921 -6.298 214 H THR 28 H THR 28 47.173 31.603 -5.102 215 HA THR 28 HA THR 28 47.485 33.942 -6.699 216 HB THR 28 HB THR 28 49.325 32.853 -4.539 217 HG1 THR 28 HG1 THR 28 47.089 34.599 -4.432 218 1HG2 THR 28 1HG2 THR 28 48.880 35.660 -5.660 219 2HG2 THR 28 2HG2 THR 28 49.888 35.265 -4.251 220 3HG2 THR 28 3HG2 THR 28 50.349 34.679 -5.860 221 H VAL 29 H VAL 29 49.317 30.865 -6.501 222 HA VAL 29 HA VAL 29 51.466 31.623 -8.215 223 HB VAL 29 HB VAL 29 50.199 28.947 -7.523 224 1HG1 VAL 29 1HG1 VAL 29 52.768 29.559 -9.033 225 2HG1 VAL 29 2HG1 VAL 29 51.343 28.693 -9.664 226 3HG1 VAL 29 3HG1 VAL 29 52.321 27.966 -8.378 227 1HG2 VAL 29 1HG2 VAL 29 52.771 30.314 -6.614 228 2HG2 VAL 29 2HG2 VAL 29 51.291 30.173 -5.644 229 3HG2 VAL 29 3HG2 VAL 29 52.195 28.716 -6.093 230 H SER 30 H SER 30 48.117 30.601 -8.809 231 HA SER 30 HA SER 30 48.551 30.290 -11.685 232 1HB SER 30 2HB SER 30 46.855 28.963 -10.369 233 2HB SER 30 1HB SER 30 45.961 30.461 -10.073 234 HG SER 30 HG SER 30 45.187 29.323 -11.902 235 H CYS 31 H CYS 31 46.688 32.455 -9.573 236 HA CYS 31 HA CYS 31 46.029 34.471 -11.432 237 1HB CYS 31 1HB CYS 31 45.075 34.128 -9.157 238 2HB CYS 31 2HB CYS 31 46.609 34.651 -8.461 239 H LYS 32 H LYS 32 49.149 33.566 -10.282 240 HA LYS 32 HA LYS 32 50.331 36.172 -10.007 241 1HB LYS 32 1HB LYS 32 51.067 34.124 -8.818 242 2HB LYS 32 2HB LYS 32 51.415 33.362 -10.380 243 1HG LYS 32 2HG LYS 32 53.498 33.996 -9.738 244 2HG LYS 32 1HG LYS 32 53.030 35.329 -10.791 245 1HD LYS 32 2HD LYS 32 53.965 36.409 -8.906 246 2HD LYS 32 1HD LYS 32 52.213 36.513 -8.627 247 1HE LYS 32 1HE LYS 32 52.376 34.503 -7.133 248 2HE LYS 32 2HE LYS 32 54.122 34.444 -7.440 249 1HZ LYS 32 1HZ LYS 32 52.672 36.651 -6.167 250 2HZ LYS 32 2HZ LYS 32 54.295 36.610 -6.457 251 3HZ LYS 32 3HZ LYS 32 53.617 35.539 -5.401 252 H LEU 33 H LEU 33 50.265 33.586 -12.465 253 HA LEU 33 HA LEU 33 51.991 34.470 -14.406 254 1HB LEU 33 1HB LEU 33 49.191 33.351 -14.827 255 2HB LEU 33 2HB LEU 33 50.482 33.370 -16.040 256 HG LEU 33 HG LEU 33 50.602 31.879 -13.373 257 1HD1 LEU 33 1HD1 LEU 33 48.930 30.945 -14.923 258 2HD1 LEU 33 2HD1 LEU 33 50.331 29.866 -14.757 259 3HD1 LEU 33 3HD1 LEU 33 50.155 30.876 -16.211 260 1HD2 LEU 33 1HD2 LEU 33 52.854 32.486 -14.156 261 2HD2 LEU 33 2HD2 LEU 33 52.467 31.891 -15.789 262 3HD2 LEU 33 3HD2 LEU 33 52.569 30.759 -14.423 263 H ALA 34 H ALA 34 48.524 35.464 -14.194 264 HA ALA 34 HA ALA 34 48.991 37.659 -16.056 265 1HB ALA 34 1HB ALA 34 46.543 36.901 -14.413 266 2HB ALA 34 2HB ALA 34 46.854 36.406 -16.093 267 3HB ALA 34 3HB ALA 34 46.586 38.120 -15.707 268 H LYS 35 H LYS 35 48.911 37.096 -12.734 269 HA LYS 35 HA LYS 35 49.401 38.268 -10.880 270 1HB LYS 35 2HB LYS 35 51.378 38.838 -12.301 271 2HB LYS 35 1HB LYS 35 50.564 40.344 -12.756 272 1HG LYS 35 2HG LYS 35 52.012 40.860 -10.931 273 2HG LYS 35 1HG LYS 35 50.379 40.816 -10.234 274 1HD LYS 35 2HD LYS 35 50.855 38.429 -9.470 275 2HD LYS 35 1HD LYS 35 52.501 38.629 -10.107 276 1HE LYS 35 1HE LYS 35 52.844 40.585 -8.616 277 2HE LYS 35 2HE LYS 35 51.207 40.370 -7.963 278 1HZ LYS 35 1HZ LYS 35 53.395 38.424 -7.788 279 2HZ LYS 35 2HZ LYS 35 52.857 39.392 -6.566 280 3HZ LYS 35 3HZ LYS 35 51.874 38.220 -7.182 281 H THR 36 H THR 36 47.115 38.473 -10.579 282 HA THR 36 HA THR 36 46.632 41.332 -10.039 283 HB THR 36 HB THR 36 45.153 40.751 -11.916 284 HG1 THR 36 HG1 THR 36 43.271 41.482 -10.871 285 1HG2 THR 36 1HG2 THR 36 43.268 39.230 -11.604 286 2HG2 THR 36 2HG2 THR 36 44.795 38.344 -11.436 287 3HG2 THR 36 3HG2 THR 36 43.849 38.787 -9.989 288 H CYS 37 H CYS 37 47.657 38.639 -8.755 289 HA CYS 37 HA CYS 37 46.276 39.234 -6.176 290 1HB CYS 37 2HB CYS 37 47.232 36.502 -7.065 291 2HB CYS 37 1HB CYS 37 46.435 36.924 -5.545 292 HXT CYS 37 HO OH 38 50.223 38.281 -6.509 Start of MODEL 5 1 1H GLY 1 1H GLY 1 64.392 52.790 14.469 2 2H GLY 1 2H GLY 1 62.773 53.106 14.409 3 3H GLY 1 3H GLY 1 63.735 53.921 15.473 4 1HA GLY 1 1HA GLY 1 63.855 54.096 12.552 5 2HA GLY 1 2HA GLY 1 63.162 55.315 13.648 6 H ILE 2 H ILE 2 66.595 56.523 12.887 7 HA ILE 2 HA ILE 2 63.882 56.538 11.860 8 HB ILE 2 HB ILE 2 65.775 58.374 12.062 9 1HG1 ILE 2 2HG1 ILE 2 63.554 58.899 11.465 10 2HG1 ILE 2 1HG1 ILE 2 64.678 59.731 10.382 11 1HG2 ILE 2 1HG2 ILE 2 66.915 58.844 9.974 12 2HG2 ILE 2 2HG2 ILE 2 66.270 57.370 9.231 13 3HG2 ILE 2 3HG2 ILE 2 67.396 57.259 10.603 14 1HD1 ILE 2 1HD1 ILE 2 62.813 58.955 9.083 15 2HD1 ILE 2 2HD1 ILE 2 62.948 57.318 9.732 16 3HD1 ILE 2 3HD1 ILE 2 64.207 57.953 8.638 17 H LEU 3 H LEU 3 66.911 54.861 11.223 18 HA LEU 3 HA LEU 3 66.530 54.196 8.501 19 1HB LEU 3 2HB LEU 3 68.026 52.767 10.732 20 2HB LEU 3 1HB LEU 3 68.232 52.467 9.004 21 HG LEU 3 HG LEU 3 68.826 55.103 10.432 22 1HD1 LEU 3 1HD1 LEU 3 70.671 52.978 9.270 23 2HD1 LEU 3 2HD1 LEU 3 71.176 54.522 9.993 24 3HD1 LEU 3 3HD1 LEU 3 70.393 53.285 11.000 25 1HD2 LEU 3 1HD2 LEU 3 69.938 55.703 8.273 26 2HD2 LEU 3 2HD2 LEU 3 69.260 54.234 7.538 27 3HD2 LEU 3 3HD2 LEU 3 68.185 55.537 8.101 28 H ASP 4 H ASP 4 65.065 52.848 11.408 29 HA ASP 4 HA ASP 4 64.410 50.291 10.089 30 1HB ASP 4 2HB ASP 4 63.955 51.338 12.911 31 2HB ASP 4 1HB ASP 4 63.557 49.718 12.325 32 HD2 ASP 4 HD2 ASP 4 67.410 50.734 13.105 33 H THR 5 H THR 5 63.189 53.470 10.521 34 HA THR 5 HA THR 5 60.545 52.957 11.130 35 HB THR 5 HB THR 5 61.749 55.239 9.517 36 HG1 THR 5 HG1 THR 5 61.652 56.242 11.565 37 1HG2 THR 5 1HG2 THR 5 59.740 56.517 10.244 38 2HG2 THR 5 2HG2 THR 5 59.049 55.026 10.923 39 3HG2 THR 5 3HG2 THR 5 59.304 55.177 9.168 40 H LEU 6 H LEU 6 62.047 53.480 7.889 41 HA LEU 6 HA LEU 6 59.703 52.932 6.358 42 1HB LEU 6 2HB LEU 6 62.651 52.662 5.658 43 2HB LEU 6 1HB LEU 6 61.312 52.730 4.504 44 HG LEU 6 HG LEU 6 62.118 54.970 6.417 45 1HD1 LEU 6 1HD2 LEU 6 63.744 54.576 4.604 46 2HD1 LEU 6 2HD2 LEU 6 62.436 54.678 3.403 47 3HD1 LEU 6 3HD2 LEU 6 62.873 56.105 4.369 48 1HD2 LEU 6 1HD1 LEU 6 60.012 54.857 4.211 49 2HD2 LEU 6 2HD1 LEU 6 59.708 55.075 5.952 50 3HD2 LEU 6 3HD1 LEU 6 60.547 56.337 5.037 51 H LYS 7 H LYS 7 62.317 50.888 7.662 52 HA LYS 7 HA LYS 7 61.748 48.523 6.216 53 1HB LYS 7 1HB LYS 7 62.837 48.781 9.039 54 2HB LYS 7 2HB LYS 7 62.987 47.381 7.972 55 1HG LYS 7 1HG LYS 7 64.196 50.140 7.479 56 2HG LYS 7 2HG LYS 7 65.058 48.681 7.995 57 1HD LYS 7 2HD LYS 7 64.382 47.543 5.892 58 2HD LYS 7 1HD LYS 7 63.572 49.036 5.359 59 1HE LYS 7 1HE LYS 7 65.727 50.248 5.479 60 2HE LYS 7 2HE LYS 7 66.537 48.761 6.014 61 1HZ LYS 7 1HZ LYS 7 65.924 47.755 3.944 62 2HZ LYS 7 2HZ LYS 7 65.171 49.136 3.445 63 3HZ LYS 7 3HZ LYS 7 66.803 49.126 3.682 64 H GLN 8 H GLN 8 60.396 49.852 9.245 65 HA GLN 8 HA GLN 8 58.920 47.641 10.109 66 1HB GLN 8 1HB GLN 8 59.423 49.764 11.328 67 2HB GLN 8 2HB GLN 8 58.195 50.594 10.364 68 1HG GLN 8 2HG GLN 8 57.682 48.166 12.128 69 2HG GLN 8 1HG GLN 8 57.460 49.848 12.642 70 1HE2 GLN 8 1HE2 GLN 8 56.085 51.208 10.966 71 2HE2 GLN 8 2HE2 GLN 8 54.594 50.437 10.470 72 H PHE 9 H PHE 9 57.810 50.432 8.107 73 HA PHE 9 HA PHE 9 55.245 49.273 7.542 74 1HB PHE 9 1HB PHE 9 56.803 51.480 6.146 75 2HB PHE 9 2HB PHE 9 55.100 51.099 5.868 76 HD1 PHE 9 HD1 PHE 9 57.387 53.029 7.839 77 HD2 PHE 9 HD2 PHE 9 53.489 51.206 7.890 78 HE1 PHE 9 HE1 PHE 9 56.736 54.471 9.749 79 HE2 PHE 9 HE2 PHE 9 52.831 52.669 9.781 80 HZ PHE 9 HZ PHE 9 54.458 54.292 10.721 81 H ALA 10 H ALA 10 58.401 49.157 5.871 82 HA ALA 10 HA ALA 10 57.428 47.949 3.468 83 1HB ALA 10 1HB ALA 10 60.127 47.635 4.844 84 2HB ALA 10 2HB ALA 10 59.692 48.925 3.698 85 3HB ALA 10 3HB ALA 10 59.753 47.234 3.156 86 H LYS 11 H LYS 11 58.497 46.657 6.632 87 HA LYS 11 HA LYS 11 57.648 43.915 5.938 88 1HB LYS 11 2HB LYS 11 58.685 45.168 8.511 89 2HB LYS 11 1HB LYS 11 58.317 43.448 8.288 90 1HG LYS 11 1HG LYS 11 60.405 45.006 6.701 91 2HG LYS 11 2HG LYS 11 60.725 43.913 8.060 92 1HD LYS 11 2HD LYS 11 59.695 42.039 6.788 93 2HD LYS 11 1HD LYS 11 59.440 43.132 5.408 94 1HE LYS 11 2HE LYS 11 61.877 43.539 5.275 95 2HE LYS 11 1HE LYS 11 62.136 42.454 6.658 96 1HZ LYS 11 1HZ LYS 11 60.976 41.687 4.075 97 2HZ LYS 11 2HZ LYS 11 61.217 40.681 5.360 98 3HZ LYS 11 3HZ LYS 11 62.508 41.354 4.586 99 H GLY 12 H GLY 12 55.617 45.519 5.411 100 1HA GLY 12 2HA GLY 12 53.488 44.906 7.372 101 2HA GLY 12 1HA GLY 12 54.006 46.580 7.114 102 H VAL 13 H VAL 13 54.458 47.150 4.744 103 HA VAL 13 HA VAL 13 52.351 46.071 2.985 104 HB VAL 13 HB VAL 13 54.725 47.833 2.261 105 1HG1 VAL 13 1HG1 VAL 13 51.994 47.402 0.952 106 2HG1 VAL 13 2HG1 VAL 13 53.539 46.783 0.335 107 3HG1 VAL 13 3HG1 VAL 13 53.241 48.524 0.372 108 1HG2 VAL 13 1HG2 VAL 13 53.168 49.782 2.369 109 2HG2 VAL 13 2HG2 VAL 13 51.949 48.737 3.131 110 3HG2 VAL 13 3HG2 VAL 13 53.484 49.083 3.962 111 H GLY 14 H GLY 14 54.348 44.601 4.642 112 1HA GLY 14 1HA GLY 14 55.409 42.901 2.432 113 2HA GLY 14 2HA GLY 14 56.263 43.136 3.967 114 H LYS 15 H LYS 15 53.690 43.384 5.486 115 HA LYS 15 HA LYS 15 53.114 40.547 5.929 116 1HB LYS 15 1HB LYS 15 52.008 43.067 7.199 117 2HB LYS 15 2HB LYS 15 51.720 41.398 7.731 118 1HG LYS 15 2HG LYS 15 54.405 42.847 7.710 119 2HG LYS 15 1HG LYS 15 53.437 42.395 9.128 120 1HD LYS 15 2HD LYS 15 53.632 39.982 8.284 121 2HD LYS 15 1HD LYS 15 54.886 40.564 7.174 122 1HE LYS 15 2HE LYS 15 54.937 40.842 10.211 123 2HE LYS 15 1HE LYS 15 55.859 39.659 9.264 124 1HZ LYS 15 1HZ LYS 15 56.124 42.575 9.067 125 2HZ LYS 15 2HZ LYS 15 56.974 41.466 8.191 126 3HZ LYS 15 3HZ LYS 15 57.174 41.554 9.826 127 H ASP 16 H ASP 16 51.703 43.407 4.384 128 HA ASP 16 HA ASP 16 49.105 42.216 3.909 129 1HB ASP 16 1HB ASP 16 49.592 44.668 3.951 130 2HB ASP 16 2HB ASP 16 50.521 44.484 2.454 131 HD2 ASP 16 HD2 ASP 16 49.395 43.826 0.606 132 H LEU 17 H LEU 17 52.328 42.019 2.472 133 HA LEU 17 HA LEU 17 51.372 40.865 -0.066 134 1HB LEU 17 1HB LEU 17 54.035 41.722 1.107 135 2HB LEU 17 2HB LEU 17 53.920 40.740 -0.347 136 HG LEU 17 HG LEU 17 52.636 42.385 -1.523 137 1HD1 LEU 17 1HD1 LEU 17 51.280 43.466 0.068 138 2HD1 LEU 17 2HD1 LEU 17 52.670 43.979 1.046 139 3HD1 LEU 17 3HD1 LEU 17 52.368 44.716 -0.545 140 1HD2 LEU 17 1HD2 LEU 17 55.093 42.532 -1.594 141 2HD2 LEU 17 2HD2 LEU 17 55.082 43.614 -0.185 142 3HD2 LEU 17 3HD2 LEU 17 54.366 44.147 -1.723 143 H VAL 18 H VAL 18 53.206 40.160 2.964 144 HA VAL 18 HA VAL 18 53.554 37.372 2.235 145 HB VAL 18 HB VAL 18 53.849 38.942 4.792 146 1HG1 VAL 18 1HG1 VAL 18 54.656 36.867 5.870 147 2HG1 VAL 18 2HG1 VAL 18 54.030 35.932 4.489 148 3HG1 VAL 18 3HG1 VAL 18 52.914 36.841 5.544 149 1HG2 VAL 18 1HG2 VAL 18 56.182 38.239 4.548 150 2HG2 VAL 18 2HG2 VAL 18 55.646 38.960 3.016 151 3HG2 VAL 18 3HG2 VAL 18 55.757 37.197 3.173 152 H LYS 19 H LYS 19 51.022 39.372 3.583 153 HA LYS 19 HA LYS 19 49.345 37.201 4.550 154 1HB LYS 19 1HB LYS 19 49.190 39.521 5.396 155 2HB LYS 19 2HB LYS 19 48.692 40.071 3.786 156 1HG LYS 19 2HG LYS 19 46.760 39.809 5.270 157 2HG LYS 19 1HG LYS 19 46.659 38.672 3.916 158 1HD LYS 19 1HD LYS 19 47.507 36.854 5.364 159 2HD LYS 19 2HD LYS 19 47.683 38.001 6.713 160 1HE LYS 19 2HE LYS 19 45.243 38.437 6.651 161 2HE LYS 19 1HE LYS 19 45.072 37.287 5.308 162 1HZ LYS 19 1HZ LYS 19 45.881 35.575 6.756 163 2HZ LYS 19 2HZ LYS 19 46.039 36.644 8.002 164 3HZ LYS 19 3HZ LYS 19 44.544 36.294 7.401 165 H GLY 20 H GLY 20 49.831 39.024 1.563 166 1HA GLY 20 2HA GLY 20 47.537 38.024 0.121 167 2HA GLY 20 1HA GLY 20 48.942 38.888 -0.537 168 H ALA 21 H ALA 21 51.040 37.228 0.324 169 HA ALA 21 HA ALA 21 50.968 34.996 -1.474 170 1HB ALA 21 1HB ALA 21 52.791 35.576 0.895 171 2HB ALA 21 2HB ALA 21 53.056 36.127 -0.776 172 3HB ALA 21 3HB ALA 21 53.093 34.392 -0.395 173 H ALA 22 H ALA 22 50.223 35.492 1.951 174 HA ALA 22 HA ALA 22 49.827 32.610 2.385 175 1HB ALA 22 1HB ALA 22 49.524 34.943 4.299 176 2HB ALA 22 2HB ALA 22 49.497 33.218 4.722 177 3HB ALA 22 3HB ALA 22 50.985 33.950 4.094 178 H GLN 23 H GLN 23 48.056 34.143 0.494 179 HA GLN 23 HA GLN 23 45.473 34.235 1.886 180 1HB GLN 23 1HB GLN 23 46.128 35.942 0.222 181 2HB GLN 23 2HB GLN 23 46.206 34.692 -1.036 182 1HG GLN 23 2HG GLN 23 43.814 34.175 -0.672 183 2HG GLN 23 1HG GLN 23 43.748 35.394 0.617 184 1HE2 GLN 23 1HE2 GLN 23 44.508 37.673 -0.086 185 2HE2 GLN 23 2HE2 GLN 23 43.963 38.217 -1.658 186 H GLY 24 H GLY 24 46.815 32.603 -1.034 187 1HA GLY 24 1HA GLY 24 45.862 29.990 -0.354 188 2HA GLY 24 2HA GLY 24 44.734 30.796 -1.470 189 H VAL 25 H VAL 25 48.116 29.809 -0.989 190 HA VAL 25 HA VAL 25 49.228 30.676 -3.392 191 HB VAL 25 HB VAL 25 49.904 28.182 -1.769 192 1HG1 VAL 25 1HG2 VAL 25 52.174 28.483 -2.736 193 2HG1 VAL 25 2HG2 VAL 25 50.974 28.132 -3.992 194 3HG1 VAL 25 3HG2 VAL 25 51.557 29.797 -3.761 195 1HG2 VAL 25 1HG1 VAL 25 51.594 29.651 -0.710 196 2HG2 VAL 25 2HG1 VAL 25 50.946 31.039 -1.614 197 3HG2 VAL 25 3HG1 VAL 25 49.948 30.221 -0.388 198 H LEU 26 H LEU 26 47.829 27.472 -2.611 199 HA LEU 26 HA LEU 26 48.084 26.234 -5.114 200 1HB LEU 26 2HB LEU 26 45.872 25.952 -3.047 201 2HB LEU 26 1HB LEU 26 46.249 24.788 -4.325 202 HG LEU 26 HG LEU 26 48.109 25.562 -2.030 203 1HD1 LEU 26 1HD1 LEU 26 46.148 24.243 -1.323 204 2HD1 LEU 26 2HD1 LEU 26 46.512 23.027 -2.569 205 3HD1 LEU 26 3HD1 LEU 26 47.641 23.287 -1.221 206 1HD2 LEU 26 1HD2 LEU 26 49.420 24.918 -4.005 207 2HD2 LEU 26 2HD2 LEU 26 49.443 23.603 -2.821 208 3HD2 LEU 26 3HD2 LEU 26 48.391 23.486 -4.249 209 H SER 27 H SER 27 45.730 28.629 -3.986 210 HA SER 27 HA SER 27 44.007 28.322 -6.333 211 1HB SER 27 1HB SER 27 43.060 28.917 -4.144 212 2HB SER 27 2HB SER 27 44.053 30.391 -4.099 213 HG SER 27 HG SER 27 42.113 29.736 -6.067 214 H THR 28 H THR 28 46.394 30.687 -5.047 215 HA THR 28 HA THR 28 46.078 32.608 -7.096 216 HB THR 28 HB THR 28 48.474 32.036 -5.314 217 HG1 THR 28 HG1 THR 28 46.519 32.455 -4.210 218 1HG2 THR 28 1HG2 THR 28 49.092 33.510 -7.177 219 2HG2 THR 28 2HG2 THR 28 48.953 34.463 -5.692 220 3HG2 THR 28 3HG2 THR 28 47.650 34.512 -6.898 221 H VAL 29 H VAL 29 48.669 30.140 -6.637 222 HA VAL 29 HA VAL 29 50.191 30.657 -8.851 223 HB VAL 29 HB VAL 29 50.556 29.083 -6.911 224 1HG1 VAL 29 1HG2 VAL 29 49.978 26.750 -7.125 225 2HG1 VAL 29 2HG2 VAL 29 49.195 27.024 -8.691 226 3HG1 VAL 29 3HG2 VAL 29 48.490 27.712 -7.210 227 1HG2 VAL 29 1HG1 VAL 29 52.083 27.639 -8.178 228 2HG2 VAL 29 2HG1 VAL 29 52.132 29.307 -8.789 229 3HG2 VAL 29 3HG1 VAL 29 51.244 28.055 -9.691 230 H SER 30 H SER 30 47.183 28.818 -8.696 231 HA SER 30 HA SER 30 47.347 27.705 -11.323 232 1HB SER 30 1HB SER 30 45.927 26.763 -9.532 233 2HB SER 30 2HB SER 30 44.916 28.223 -9.549 234 HG SER 30 HG SER 30 45.344 26.451 -11.728 235 H CYS 31 H CYS 31 45.231 30.364 -10.122 236 HA CYS 31 HA CYS 31 44.497 31.203 -12.762 237 1HB CYS 31 2HB CYS 31 43.656 33.236 -11.598 238 2HB CYS 31 1HB CYS 31 43.051 31.716 -10.944 239 H LYS 32 H LYS 32 47.567 31.309 -11.485 240 HA LYS 32 HA LYS 32 48.169 33.995 -12.591 241 1HB LYS 32 2HB LYS 32 49.782 31.983 -11.021 242 2HB LYS 32 1HB LYS 32 50.545 33.373 -11.820 243 1HG LYS 32 2HG LYS 32 48.100 33.861 -10.166 244 2HG LYS 32 1HG LYS 32 49.648 33.550 -9.329 245 1HD LYS 32 2HD LYS 32 50.718 35.373 -10.598 246 2HD LYS 32 1HD LYS 32 49.185 35.719 -11.418 247 1HE LYS 32 1HE LYS 32 49.671 35.880 -8.412 248 2HE LYS 32 2HE LYS 32 49.609 37.261 -9.524 249 1HZ LYS 32 1HZ LYS 32 47.354 36.681 -10.028 250 2HZ LYS 32 2HZ LYS 32 47.402 35.406 -8.982 251 3HZ LYS 32 3HZ LYS 32 47.542 36.946 -8.412 252 H LEU 33 H LEU 33 47.089 32.560 -14.460 253 HA LEU 33 HA LEU 33 49.047 31.140 -16.110 254 1HB LEU 33 1HB LEU 33 46.679 30.545 -16.238 255 2HB LEU 33 2HB LEU 33 46.248 32.209 -16.659 256 HG LEU 33 HG LEU 33 47.527 32.009 -18.782 257 1HD1 LEU 33 1HD2 LEU 33 49.207 30.326 -18.151 258 2HD1 LEU 33 2HD2 LEU 33 47.927 29.119 -17.886 259 3HD1 LEU 33 3HD2 LEU 33 48.252 29.737 -19.520 260 1HD2 LEU 33 1HD1 LEU 33 45.957 30.471 -19.891 261 2HD2 LEU 33 2HD1 LEU 33 45.118 31.484 -18.697 262 3HD2 LEU 33 3HD1 LEU 33 45.496 29.788 -18.315 263 H ALA 34 H ALA 34 47.138 34.147 -16.480 264 HA ALA 34 HA ALA 34 49.597 35.619 -17.237 265 1HB ALA 34 1HB ALA 34 46.892 35.873 -18.625 266 2HB ALA 34 2HB ALA 34 48.365 35.180 -19.341 267 3HB ALA 34 3HB ALA 34 48.316 36.903 -18.911 268 H LYS 35 H LYS 35 48.633 35.283 -14.712 269 HA LYS 35 HA LYS 35 47.629 36.136 -12.899 270 1HB LYS 35 1HB LYS 35 48.290 38.800 -14.198 271 2HB LYS 35 2HB LYS 35 47.991 38.480 -12.478 272 1HG LYS 35 2HG LYS 35 50.314 37.453 -14.150 273 2HG LYS 35 1HG LYS 35 50.371 38.647 -12.843 274 1HD LYS 35 2HD LYS 35 49.554 36.846 -11.250 275 2HD LYS 35 1HD LYS 35 49.713 35.682 -12.581 276 1HE LYS 35 2HE LYS 35 51.976 37.398 -11.485 277 2HE LYS 35 1HE LYS 35 51.684 35.697 -11.075 278 1HZ LYS 35 1HZ LYS 35 52.270 36.727 -13.757 279 2HZ LYS 35 2HZ LYS 35 53.314 35.909 -12.778 280 3HZ LYS 35 3HZ LYS 35 51.978 35.149 -13.375 281 H THR 36 H THR 36 45.740 35.109 -14.149 282 HA THR 36 HA THR 36 43.566 36.765 -14.980 283 HB THR 36 HB THR 36 43.494 34.031 -13.633 284 HG1 THR 36 HG1 THR 36 43.737 34.755 -16.366 285 1HG2 THR 36 1HG2 THR 36 41.409 33.767 -14.941 286 2HG2 THR 36 2HG2 THR 36 41.285 35.124 -13.804 287 3HG2 THR 36 3HG2 THR 36 41.566 35.435 -15.534 288 H CYS 37 H CYS 37 44.690 35.472 -11.833 289 HA CYS 37 HA CYS 37 42.644 36.861 -10.269 290 1HB CYS 37 2HB CYS 37 45.260 35.483 -9.646 291 2HB CYS 37 1HB CYS 37 44.381 36.418 -8.430 292 HXT CYS 37 HO OH 38 46.044 37.302 -10.993 Start of MODEL 6 1 1H GLY 1 1H GLY 1 66.196 53.375 10.958 2 2H GLY 1 2H GLY 1 65.216 54.104 12.066 3 3H GLY 1 3H GLY 1 66.851 54.309 12.149 4 1HA GLY 1 1HA GLY 1 65.836 56.269 11.278 5 2HA GLY 1 2HA GLY 1 66.882 55.477 10.083 6 H ILE 2 H ILE 2 65.400 56.978 8.748 7 HA ILE 2 HA ILE 2 62.707 56.349 8.253 8 HB ILE 2 HB ILE 2 64.254 58.346 7.610 9 1HG1 ILE 2 2HG1 ILE 2 61.920 58.456 7.301 10 2HG1 ILE 2 1HG1 ILE 2 62.738 59.093 5.869 11 1HG2 ILE 2 1HG2 ILE 2 65.809 57.111 6.186 12 2HG2 ILE 2 2HG2 ILE 2 64.992 58.409 5.298 13 3HG2 ILE 2 3HG2 ILE 2 64.499 56.725 5.047 14 1HD1 ILE 2 1HD1 ILE 2 62.299 56.855 4.734 15 2HD1 ILE 2 2HD1 ILE 2 61.283 56.442 6.142 16 3HD1 ILE 2 3HD1 ILE 2 60.861 57.818 5.120 17 H LEU 3 H LEU 3 65.741 54.944 7.027 18 HA LEU 3 HA LEU 3 64.560 53.366 4.945 19 1HB LEU 3 2HB LEU 3 67.155 53.088 6.516 20 2HB LEU 3 1HB LEU 3 66.759 52.208 5.037 21 HG LEU 3 HG LEU 3 67.042 55.241 5.276 22 1HD1 LEU 3 1HD2 LEU 3 68.851 53.146 4.008 23 2HD1 LEU 3 2HD2 LEU 3 69.106 54.905 3.979 24 3HD1 LEU 3 3HD2 LEU 3 69.174 54.025 5.519 25 1HD2 LEU 3 1HD1 LEU 3 65.464 54.679 3.479 26 2HD2 LEU 3 2HD1 LEU 3 66.581 53.442 2.853 27 3HD2 LEU 3 3HD1 LEU 3 67.013 55.164 2.776 28 H ASP 4 H ASP 4 64.635 52.996 8.407 29 HA ASP 4 HA ASP 4 64.166 50.076 8.265 30 1HB ASP 4 1HB ASP 4 65.785 50.960 9.953 31 2HB ASP 4 2HB ASP 4 64.490 51.952 10.644 32 HD2 ASP 4 HD2 ASP 4 64.333 47.896 11.084 33 H THR 5 H THR 5 62.724 53.252 8.473 34 HA THR 5 HA THR 5 60.330 52.390 9.736 35 HB THR 5 HB THR 5 60.801 54.859 8.019 36 HG1 THR 5 HG1 THR 5 60.927 54.430 10.822 37 1HG2 THR 5 1HG2 THR 5 58.402 54.380 8.312 38 2HG2 THR 5 2HG2 THR 5 58.643 54.202 10.066 39 3HG2 THR 5 3HG2 THR 5 58.885 55.781 9.287 40 H LEU 6 H LEU 6 61.380 52.965 6.365 41 HA LEU 6 HA LEU 6 58.997 52.105 5.038 42 1HB LEU 6 2HB LEU 6 61.926 52.065 4.213 43 2HB LEU 6 1HB LEU 6 60.557 51.828 3.119 44 HG LEU 6 HG LEU 6 61.074 54.365 4.734 45 1HD1 LEU 6 1HD2 LEU 6 62.790 53.978 3.008 46 2HD1 LEU 6 2HD2 LEU 6 61.519 53.755 1.785 47 3HD1 LEU 6 3HD2 LEU 6 61.734 55.336 2.569 48 1HD2 LEU 6 1HD1 LEU 6 59.382 55.346 3.185 49 2HD2 LEU 6 2HD1 LEU 6 58.683 54.095 4.223 50 3HD2 LEU 6 3HD1 LEU 6 59.068 53.726 2.525 51 H LYS 7 H LYS 7 61.938 50.434 6.243 52 HA LYS 7 HA LYS 7 61.463 47.906 5.147 53 1HB LYS 7 2HB LYS 7 63.559 48.752 6.243 54 2HB LYS 7 1HB LYS 7 62.748 48.612 7.812 55 1HG LYS 7 2HG LYS 7 64.132 46.664 7.436 56 2HG LYS 7 1HG LYS 7 62.426 46.168 7.397 57 1HD LYS 7 1HD LYS 7 62.471 46.224 4.920 58 2HD LYS 7 2HD LYS 7 64.160 46.780 4.960 59 1HE LYS 7 1HE LYS 7 64.819 44.679 6.105 60 2HE LYS 7 2HE LYS 7 63.131 44.127 6.066 61 1HZ LYS 7 1HZ LYS 7 64.800 44.702 3.722 62 2HZ LYS 7 2HZ LYS 7 64.410 43.203 4.289 63 3HZ LYS 7 3HZ LYS 7 63.234 44.189 3.686 64 H GLN 8 H GLN 8 60.441 49.324 8.291 65 HA GLN 8 HA GLN 8 59.115 47.053 9.314 66 1HB GLN 8 2HB GLN 8 59.799 49.037 10.627 67 2HB GLN 8 1HB GLN 8 58.627 50.030 9.754 68 1HG GLN 8 1HG GLN 8 57.752 49.412 11.929 69 2HG GLN 8 2HG GLN 8 56.770 48.676 10.654 70 1HE2 GLN 8 2HE2 GLN 8 56.825 46.382 10.365 71 2HE2 GLN 8 1HE2 GLN 8 57.512 45.319 11.575 72 H PHE 9 H PHE 9 57.946 49.871 7.438 73 HA PHE 9 HA PHE 9 55.222 49.072 7.251 74 1HB PHE 9 1HB PHE 9 56.037 51.348 6.820 75 2HB PHE 9 2HB PHE 9 56.925 50.781 5.403 76 HD1 PHE 9 HD1 PHE 9 55.842 50.531 3.285 77 HD2 PHE 9 HD2 PHE 9 53.504 51.215 6.834 78 HE1 PHE 9 HE1 PHE 9 53.835 50.932 1.887 79 HE2 PHE 9 HE2 PHE 9 51.496 51.609 5.432 80 HZ PHE 9 HZ PHE 9 51.661 51.476 2.958 81 H ALA 10 H ALA 10 58.067 48.457 5.146 82 HA ALA 10 HA ALA 10 56.645 47.006 3.133 83 1HB ALA 10 1HB ALA 10 58.892 47.960 2.788 84 2HB ALA 10 2HB ALA 10 59.564 46.836 3.991 85 3HB ALA 10 3HB ALA 10 58.879 46.210 2.476 86 H LYS 11 H LYS 11 58.322 46.042 6.160 87 HA LYS 11 HA LYS 11 57.412 43.249 5.904 88 1HB LYS 11 1HB LYS 11 58.837 44.755 8.135 89 2HB LYS 11 2HB LYS 11 58.441 43.023 8.148 90 1HG LYS 11 1HG LYS 11 59.835 42.643 6.166 91 2HG LYS 11 2HG LYS 11 60.184 44.376 6.046 92 1HD LYS 11 2HD LYS 11 62.067 43.277 7.067 93 2HD LYS 11 1HD LYS 11 61.282 44.305 8.280 94 1HE LYS 11 1HE LYS 11 60.186 42.330 9.270 95 2HE LYS 11 2HE LYS 11 60.857 41.297 7.989 96 1HZ LYS 11 1HZ LYS 11 63.033 41.844 8.789 97 2HZ LYS 11 2HZ LYS 11 62.404 42.805 9.972 98 3HZ LYS 11 3HZ LYS 11 62.123 41.180 9.994 99 H GLY 12 H GLY 12 55.350 45.065 5.640 100 1HA GLY 12 1HA GLY 12 53.583 44.140 7.724 101 2HA GLY 12 2HA GLY 12 53.777 45.921 7.700 102 H VAL 13 H VAL 13 54.163 46.124 4.849 103 HA VAL 13 HA VAL 13 51.743 44.877 3.657 104 HB VAL 13 HB VAL 13 53.765 46.695 2.307 105 1HG1 VAL 13 1HG1 VAL 13 51.882 47.123 0.736 106 2HG1 VAL 13 2HG1 VAL 13 50.844 46.038 1.683 107 3HG1 VAL 13 3HG1 VAL 13 52.241 45.391 0.801 108 1HG2 VAL 13 1HG2 VAL 13 52.115 48.551 2.630 109 2HG2 VAL 13 2HG2 VAL 13 52.848 48.015 4.149 110 3HG2 VAL 13 3HG2 VAL 13 51.195 47.503 3.731 111 H GLY 14 H GLY 14 53.640 43.312 4.832 112 1HA GLY 14 1HA GLY 14 54.943 41.914 2.542 113 2HA GLY 14 2HA GLY 14 55.759 42.162 4.101 114 H LYS 15 H LYS 15 53.327 41.943 5.695 115 HA LYS 15 HA LYS 15 52.955 39.005 5.669 116 1HB LYS 15 2HB LYS 15 52.022 39.269 7.853 117 2HB LYS 15 1HB LYS 15 53.586 40.105 7.758 118 1HG LYS 15 2HG LYS 15 52.337 42.267 7.395 119 2HG LYS 15 1HG LYS 15 50.815 41.385 7.649 120 1HD LYS 15 1HD LYS 15 51.574 40.739 9.917 121 2HD LYS 15 2HD LYS 15 53.121 41.566 9.631 122 1HE LYS 15 2HE LYS 15 51.635 42.983 10.966 123 2HE LYS 15 1HE LYS 15 51.936 43.723 9.383 124 1HZ LYS 15 1HZ LYS 15 49.551 42.182 10.126 125 2HZ LYS 15 2HZ LYS 15 49.640 43.824 10.013 126 3HZ LYS 15 3HZ LYS 15 49.821 42.895 8.663 127 H ASP 16 H ASP 16 51.331 42.033 4.931 128 HA ASP 16 HA ASP 16 48.688 40.886 4.536 129 1HB ASP 16 1HB ASP 16 49.126 43.308 4.920 130 2HB ASP 16 2HB ASP 16 50.000 43.378 3.380 131 HD2 ASP 16 HD2 ASP 16 48.850 43.094 1.495 132 H LEU 17 H LEU 17 51.773 41.016 2.853 133 HA LEU 17 HA LEU 17 50.675 40.441 0.216 134 1HB LEU 17 2HB LEU 17 52.577 42.054 0.851 135 2HB LEU 17 1HB LEU 17 53.545 40.618 1.211 136 HG LEU 17 HG LEU 17 54.044 41.597 -0.900 137 1HD1 LEU 17 1HD2 LEU 17 54.278 39.120 -0.600 138 2HD1 LEU 17 2HD2 LEU 17 54.084 39.628 -2.291 139 3HD1 LEU 17 3HD2 LEU 17 52.714 38.914 -1.428 140 1HD2 LEU 17 1HD1 LEU 17 51.801 42.513 -1.461 141 2HD2 LEU 17 2HD1 LEU 17 51.244 40.869 -1.856 142 3HD2 LEU 17 3HD1 LEU 17 52.534 41.622 -2.811 143 H VAL 18 H VAL 18 52.905 39.040 2.693 144 HA VAL 18 HA VAL 18 53.046 36.463 1.389 145 HB VAL 18 HB VAL 18 53.726 37.427 4.184 146 1HG1 VAL 18 1HG2 VAL 18 54.832 35.212 4.489 147 2HG1 VAL 18 2HG2 VAL 18 53.068 35.081 4.420 148 3HG1 VAL 18 3HG2 VAL 18 54.048 34.637 3.002 149 1HG2 VAL 18 1HG1 VAL 18 55.426 36.393 1.866 150 2HG2 VAL 18 2HG1 VAL 18 55.201 38.109 2.250 151 3HG2 VAL 18 3HG1 VAL 18 56.025 37.044 3.407 152 H LYS 19 H LYS 19 50.847 38.099 3.602 153 HA LYS 19 HA LYS 19 49.328 35.780 4.410 154 1HB LYS 19 1HB LYS 19 49.269 37.891 5.624 155 2HB LYS 19 2HB LYS 19 48.582 38.725 4.220 156 1HG LYS 19 2HG LYS 19 47.215 36.353 5.557 157 2HG LYS 19 1HG LYS 19 46.973 38.029 6.081 158 1HD LYS 19 2HD LYS 19 46.180 38.653 3.827 159 2HD LYS 19 1HD LYS 19 46.354 36.968 3.295 160 1HE LYS 19 1HE LYS 19 44.740 36.248 5.023 161 2HE LYS 19 2HE LYS 19 44.572 37.928 5.571 162 1HZ LYS 19 1HZ LYS 19 43.724 38.482 3.414 163 2HZ LYS 19 2HZ LYS 19 42.813 37.294 4.107 164 3HZ LYS 19 3HZ LYS 19 43.879 36.921 2.904 165 H GLY 20 H GLY 20 49.272 38.065 1.704 166 1HA GLY 20 2HA GLY 20 46.757 37.233 0.562 167 2HA GLY 20 1HA GLY 20 48.013 38.235 -0.194 168 H ALA 21 H ALA 21 50.233 36.574 -0.068 169 HA ALA 21 HA ALA 21 49.830 34.659 -2.159 170 1HB ALA 21 1HB ALA 21 51.998 35.764 -1.708 171 2HB ALA 21 2HB ALA 21 52.143 33.994 -1.648 172 3HB ALA 21 3HB ALA 21 52.093 34.931 -0.139 173 H ALA 22 H ALA 22 49.783 34.539 1.378 174 HA ALA 22 HA ALA 22 49.692 31.618 1.461 175 1HB ALA 22 1HB ALA 22 50.799 32.886 3.239 176 2HB ALA 22 2HB ALA 22 49.252 33.663 3.655 177 3HB ALA 22 3HB ALA 22 49.456 31.913 3.870 178 H GLN 23 H GLN 23 47.338 34.169 1.065 179 HA GLN 23 HA GLN 23 45.132 33.097 2.408 180 1HB GLN 23 2HB GLN 23 45.398 35.375 1.453 181 2HB GLN 23 1HB GLN 23 45.167 34.718 -0.174 182 1HG GLN 23 2HG GLN 23 43.155 34.447 2.103 183 2HG GLN 23 1HG GLN 23 43.145 35.764 0.919 184 1HE2 GLN 23 2HE2 GLN 23 41.279 33.355 1.561 185 2HE2 GLN 23 1HE2 GLN 23 40.950 32.682 -0.021 186 H GLY 24 H GLY 24 46.379 32.459 -0.902 187 1HA GLY 24 1HA GLY 24 44.980 29.898 -0.997 188 2HA GLY 24 2HA GLY 24 44.400 31.115 -2.159 189 H VAL 25 H VAL 25 47.297 29.409 -0.970 190 HA VAL 25 HA VAL 25 49.158 30.463 -2.768 191 HB VAL 25 HB VAL 25 49.078 27.678 -1.508 192 1HG1 VAL 25 1HG2 VAL 25 51.403 29.313 -2.614 193 2HG1 VAL 25 2HG2 VAL 25 50.756 27.810 -3.311 194 3HG1 VAL 25 3HG2 VAL 25 51.551 27.781 -1.727 195 1HG2 VAL 25 1HG1 VAL 25 48.902 29.462 0.187 196 2HG2 VAL 25 2HG1 VAL 25 50.316 30.277 -0.523 197 3HG2 VAL 25 3HG1 VAL 25 50.493 28.684 0.246 198 H LEU 26 H LEU 26 47.259 27.435 -2.964 199 HA LEU 26 HA LEU 26 48.104 26.545 -5.502 200 1HB LEU 26 1HB LEU 26 45.399 26.239 -4.153 201 2HB LEU 26 2HB LEU 26 46.008 25.247 -5.486 202 HG LEU 26 HG LEU 26 47.237 25.410 -2.694 203 1HD1 LEU 26 1HD2 LEU 26 45.627 23.220 -4.065 204 2HD1 LEU 26 2HD2 LEU 26 46.370 23.121 -2.452 205 3HD1 LEU 26 3HD2 LEU 26 45.050 24.271 -2.751 206 1HD2 LEU 26 1HD1 LEU 26 47.922 23.672 -5.107 207 2HD2 LEU 26 2HD1 LEU 26 48.557 23.433 -3.465 208 3HD2 LEU 26 3HD1 LEU 26 48.969 24.902 -4.361 209 H SER 27 H SER 27 45.426 28.753 -4.578 210 HA SER 27 HA SER 27 44.471 29.177 -7.251 211 1HB SER 27 1HB SER 27 44.280 30.965 -4.790 212 2HB SER 27 2HB SER 27 43.303 31.090 -6.266 213 HG SER 27 HG SER 27 42.256 29.914 -4.602 214 H THR 28 H THR 28 46.786 30.988 -5.142 215 HA THR 28 HA THR 28 47.435 32.766 -7.375 216 HB THR 28 HB THR 28 48.924 32.666 -4.748 217 HG1 THR 28 HG1 THR 28 46.461 33.962 -5.276 218 1HG2 THR 28 1HG2 THR 28 49.034 35.134 -5.216 219 2HG2 THR 28 2HG2 THR 28 49.764 34.202 -6.536 220 3HG2 THR 28 3HG2 THR 28 48.138 34.868 -6.723 221 H VAL 29 H VAL 29 47.852 29.962 -7.814 222 HA VAL 29 HA VAL 29 50.634 30.282 -8.807 223 HB VAL 29 HB VAL 29 48.687 27.940 -9.085 224 1HG1 VAL 29 1HG2 VAL 29 50.619 26.782 -10.138 225 2HG1 VAL 29 2HG2 VAL 29 50.097 28.183 -11.089 226 3HG1 VAL 29 3HG2 VAL 29 51.551 28.294 -10.070 227 1HG2 VAL 29 1HG1 VAL 29 49.682 28.075 -6.821 228 2HG2 VAL 29 2HG1 VAL 29 51.305 28.193 -7.537 229 3HG2 VAL 29 3HG1 VAL 29 50.351 26.704 -7.724 230 H SER 30 H SER 30 47.187 30.005 -9.618 231 HA SER 30 HA SER 30 47.579 30.691 -12.395 232 1HB SER 30 2HB SER 30 45.123 30.609 -10.571 233 2HB SER 30 1HB SER 30 45.073 30.832 -12.337 234 HG SER 30 HG SER 30 44.794 28.648 -11.703 235 H CYS 31 H CYS 31 46.066 32.447 -9.619 236 HA CYS 31 HA CYS 31 46.204 34.933 -11.141 237 1HB CYS 31 1HB CYS 31 45.195 35.959 -9.209 238 2HB CYS 31 2HB CYS 31 44.297 34.561 -9.780 239 H LYS 32 H LYS 32 48.849 33.623 -10.699 240 HA LYS 32 HA LYS 32 50.244 35.579 -9.025 241 1HB LYS 32 2HB LYS 32 51.123 33.699 -11.255 242 2HB LYS 32 1HB LYS 32 52.245 34.676 -10.301 243 1HG LYS 32 2HG LYS 32 50.339 32.605 -9.207 244 2HG LYS 32 1HG LYS 32 52.042 32.287 -9.554 245 1HD LYS 32 1HD LYS 32 50.979 34.255 -7.478 246 2HD LYS 32 2HD LYS 32 51.692 32.671 -7.154 247 1HE LYS 32 2HE LYS 32 53.130 35.075 -8.356 248 2HE LYS 32 1HE LYS 32 53.327 34.414 -6.729 249 1HZ LYS 32 1HZ LYS 32 55.054 33.683 -8.167 250 2HZ LYS 32 2HZ LYS 32 53.978 33.016 -9.222 251 3HZ LYS 32 3HZ LYS 32 54.137 32.394 -7.703 252 H LEU 33 H LEU 33 50.291 34.894 -12.473 253 HA LEU 33 HA LEU 33 51.997 36.384 -13.542 254 1HB LEU 33 1HB LEU 33 50.366 34.975 -14.748 255 2HB LEU 33 2HB LEU 33 49.203 36.304 -14.724 256 HG LEU 33 HG LEU 33 50.814 37.684 -16.082 257 1HD1 LEU 33 1HD1 LEU 33 52.690 36.478 -17.203 258 2HD1 LEU 33 2HD1 LEU 33 52.415 35.087 -16.131 259 3HD1 LEU 33 3HD1 LEU 33 52.952 36.647 -15.461 260 1HD2 LEU 33 1HD2 LEU 33 50.467 36.432 -18.169 261 2HD2 LEU 33 2HD2 LEU 33 50.110 34.958 -17.240 262 3HD2 LEU 33 3HD2 LEU 33 49.021 36.361 -17.140 263 H ALA 34 H ALA 34 52.183 38.028 -11.931 264 HA ALA 34 HA ALA 34 52.544 40.237 -11.465 265 1HB ALA 34 1HB ALA 34 52.231 41.942 -13.164 266 2HB ALA 34 2HB ALA 34 51.238 40.852 -14.149 267 3HB ALA 34 3HB ALA 34 52.959 40.494 -13.887 268 H LYS 35 H LYS 35 50.721 39.232 -10.022 269 HA LYS 35 HA LYS 35 48.400 41.035 -9.871 270 1HB LYS 35 2HB LYS 35 48.424 38.026 -9.764 271 2HB LYS 35 1HB LYS 35 47.003 39.041 -9.480 272 1HG LYS 35 1HG LYS 35 46.847 39.660 -11.769 273 2HG LYS 35 2HG LYS 35 48.484 39.072 -12.129 274 1HD LYS 35 2HD LYS 35 47.844 36.772 -11.604 275 2HD LYS 35 1HD LYS 35 46.179 37.305 -11.252 276 1HE LYS 35 1HE LYS 35 45.875 38.071 -13.549 277 2HE LYS 35 2HE LYS 35 47.568 37.709 -13.935 278 1HZ LYS 35 1HZ LYS 35 47.115 35.410 -13.511 279 2HZ LYS 35 2HZ LYS 35 45.537 35.741 -13.161 280 3HZ LYS 35 3HZ LYS 35 46.114 35.993 -14.686 281 H THR 36 H THR 36 50.036 38.248 -8.437 282 HA THR 36 HA THR 36 50.122 37.387 -6.391 283 HB THR 36 HB THR 36 50.476 38.643 -4.421 284 HG1 THR 36 HG1 THR 36 49.713 40.977 -5.816 285 1HG2 THR 36 1HG2 THR 36 51.775 40.177 -6.710 286 2HG2 THR 36 2HG2 THR 36 52.350 40.073 -5.034 287 3HG2 THR 36 3HG2 THR 36 52.341 38.621 -6.058 288 H CYS 37 H CYS 37 47.665 38.247 -7.956 289 HA CYS 37 HA CYS 37 45.524 37.588 -7.883 290 1HB CYS 37 1HB CYS 37 46.527 36.073 -5.892 291 2HB CYS 37 2HB CYS 37 45.421 37.070 -4.955 292 HXT CYS 37 HO OH 38 45.033 40.469 -5.053 Start of MODEL 7 1 1H GLY 1 1H GLY 1 65.446 53.443 13.500 2 2H GLY 1 2H GLY 1 64.889 54.553 14.584 3 3H GLY 1 3H GLY 1 63.845 53.479 13.894 4 1HA GLY 1 1HA GLY 1 64.172 54.421 11.749 5 2HA GLY 1 2HA GLY 1 63.579 55.621 12.922 6 H ILE 2 H ILE 2 66.391 57.273 11.117 7 HA ILE 2 HA ILE 2 63.553 56.670 10.905 8 HB ILE 2 HB ILE 2 64.367 58.932 10.544 9 1HG1 ILE 2 1HG1 ILE 2 63.395 59.415 8.348 10 2HG1 ILE 2 2HG1 ILE 2 63.480 57.703 7.910 11 1HG2 ILE 2 1HG2 ILE 2 66.648 58.460 9.693 12 2HG2 ILE 2 2HG2 ILE 2 65.753 59.522 8.600 13 3HG2 ILE 2 3HG2 ILE 2 65.951 57.809 8.192 14 1HD1 ILE 2 1HD1 ILE 2 61.201 58.437 8.627 15 2HD1 ILE 2 2HD1 ILE 2 61.853 58.848 10.229 16 3HD1 ILE 2 3HD1 ILE 2 61.836 57.158 9.671 17 H LEU 3 H LEU 3 66.599 55.600 9.504 18 HA LEU 3 HA LEU 3 65.587 54.603 7.039 19 1HB LEU 3 1HB LEU 3 68.009 53.754 8.669 20 2HB LEU 3 2HB LEU 3 67.732 53.380 6.962 21 HG LEU 3 HG LEU 3 68.075 56.183 8.132 22 1HD1 LEU 3 1HD2 LEU 3 69.937 54.461 6.447 23 2HD1 LEU 3 2HD2 LEU 3 70.243 56.133 6.969 24 3HD1 LEU 3 3HD2 LEU 3 70.139 54.833 8.175 25 1HD2 LEU 3 1HD1 LEU 3 68.279 56.857 5.734 26 2HD2 LEU 3 2HD1 LEU 3 67.804 55.214 5.250 27 3HD2 LEU 3 3HD1 LEU 3 66.659 56.260 6.123 28 H ASP 4 H ASP 4 65.207 53.341 10.257 29 HA ASP 4 HA ASP 4 64.886 50.553 9.322 30 1HB ASP 4 1HB ASP 4 66.205 51.032 11.383 31 2HB ASP 4 2HB ASP 4 64.774 51.791 12.101 32 HD2 ASP 4 HD2 ASP 4 65.746 48.827 10.507 33 H THR 5 H THR 5 63.170 53.500 9.993 34 HA THR 5 HA THR 5 60.841 52.426 11.067 35 HB THR 5 HB THR 5 61.204 54.952 9.408 36 HG1 THR 5 HG1 THR 5 61.251 54.460 12.204 37 1HG2 THR 5 1HG2 THR 5 58.827 54.413 9.588 38 2HG2 THR 5 2HG2 THR 5 58.993 54.139 11.340 39 3HG2 THR 5 3HG2 THR 5 59.213 55.769 10.663 40 H LEU 6 H LEU 6 61.672 53.228 7.661 41 HA LEU 6 HA LEU 6 59.249 52.342 6.462 42 1HB LEU 6 2HB LEU 6 62.094 52.405 5.384 43 2HB LEU 6 1HB LEU 6 60.621 52.276 4.413 44 HG LEU 6 HG LEU 6 61.377 54.654 6.173 45 1HD1 LEU 6 1HD2 LEU 6 62.805 54.403 4.178 46 2HD1 LEU 6 2HD2 LEU 6 61.358 54.309 3.148 47 3HD1 LEU 6 3HD2 LEU 6 61.730 55.808 4.029 48 1HD2 LEU 6 1HD1 LEU 6 59.047 54.221 4.249 49 2HD2 LEU 6 2HD1 LEU 6 59.491 55.779 4.980 50 3HD2 LEU 6 3HD1 LEU 6 58.933 54.452 6.010 51 H LYS 7 H LYS 7 62.277 50.670 7.346 52 HA LYS 7 HA LYS 7 61.746 48.211 6.025 53 1HB LYS 7 1HB LYS 7 63.346 48.641 8.571 54 2HB LYS 7 2HB LYS 7 63.502 47.306 7.427 55 1HG LYS 7 2HG LYS 7 64.153 50.235 6.894 56 2HG LYS 7 1HG LYS 7 65.309 48.915 7.125 57 1HD LYS 7 1HD LYS 7 64.402 47.782 5.105 58 2HD LYS 7 2HD LYS 7 63.312 49.161 4.833 59 1HE LYS 7 2HE LYS 7 66.354 49.316 4.923 60 2HE LYS 7 1HE LYS 7 65.368 49.289 3.449 61 1HZ LYS 7 1HZ LYS 7 65.963 51.499 4.047 62 2HZ LYS 7 2HZ LYS 7 64.330 51.309 4.175 63 3HZ LYS 7 3HZ LYS 7 65.265 51.350 5.533 64 H GLN 8 H GLN 8 61.056 49.370 9.331 65 HA GLN 8 HA GLN 8 59.962 47.038 10.448 66 1HB GLN 8 1HB GLN 8 60.624 49.073 11.675 67 2HB GLN 8 2HB GLN 8 59.293 49.973 10.930 68 1HG GLN 8 2HG GLN 8 57.653 48.495 11.996 69 2HG GLN 8 1HG GLN 8 58.969 47.513 12.680 70 1HE2 GLN 8 1HE2 GLN 8 57.936 50.979 12.510 71 2HE2 GLN 8 2HE2 GLN 8 58.299 51.342 14.183 72 H PHE 9 H PHE 9 58.450 49.710 8.606 73 HA PHE 9 HA PHE 9 55.795 48.516 8.678 74 1HB PHE 9 2HB PHE 9 56.916 50.742 6.947 75 2HB PHE 9 1HB PHE 9 55.209 50.369 7.199 76 HD1 PHE 9 HD1 PHE 9 56.461 53.070 7.566 77 HD2 PHE 9 HD2 PHE 9 55.771 49.867 10.370 78 HE1 PHE 9 HE1 PHE 9 56.303 54.709 9.417 79 HE2 PHE 9 HE2 PHE 9 55.656 51.504 12.207 80 HZ PHE 9 HZ PHE 9 55.921 53.928 11.743 81 H ALA 10 H ALA 10 58.579 48.388 6.484 82 HA ALA 10 HA ALA 10 57.160 47.436 4.205 83 1HB ALA 10 1HB ALA 10 59.354 46.702 3.411 84 2HB ALA 10 2HB ALA 10 60.041 46.901 5.035 85 3HB ALA 10 3HB ALA 10 59.472 48.323 4.128 86 H LYS 11 H LYS 11 58.609 45.760 7.025 87 HA LYS 11 HA LYS 11 57.637 43.147 6.067 88 1HB LYS 11 2HB LYS 11 58.619 42.277 8.130 89 2HB LYS 11 1HB LYS 11 59.773 43.220 7.175 90 1HG LYS 11 2HG LYS 11 59.488 45.152 8.693 91 2HG LYS 11 1HG LYS 11 58.268 44.266 9.615 92 1HD LYS 11 2HD LYS 11 60.348 44.162 10.806 93 2HD LYS 11 1HD LYS 11 59.942 42.546 10.207 94 1HE LYS 11 1HE LYS 11 62.333 43.035 9.931 95 2HE LYS 11 2HE LYS 11 61.567 42.821 8.352 96 1HZ LYS 11 1HZ LYS 11 62.175 45.391 9.640 97 2HZ LYS 11 2HZ LYS 11 61.473 45.207 8.160 98 3HZ LYS 11 3HZ LYS 11 63.024 44.704 8.404 99 H GLY 12 H GLY 12 55.638 45.002 6.157 100 1HA GLY 12 2HA GLY 12 53.759 43.993 8.231 101 2HA GLY 12 1HA GLY 12 54.259 45.697 8.148 102 H VAL 13 H VAL 13 54.343 46.650 5.865 103 HA VAL 13 HA VAL 13 51.921 46.141 4.317 104 HB VAL 13 HB VAL 13 54.538 47.650 3.835 105 1HG1 VAL 13 1HG2 VAL 13 53.674 47.102 1.655 106 2HG1 VAL 13 2HG2 VAL 13 53.245 48.780 1.990 107 3HG1 VAL 13 3HG2 VAL 13 52.009 47.510 2.154 108 1HG2 VAL 13 1HG1 VAL 13 53.135 48.671 5.597 109 2HG2 VAL 13 2HG1 VAL 13 51.734 48.642 4.503 110 3HG2 VAL 13 3HG1 VAL 13 53.135 49.671 4.137 111 H GLY 14 H GLY 14 54.386 44.282 5.315 112 1HA GLY 14 2HA GLY 14 54.817 42.857 2.729 113 2HA GLY 14 1HA GLY 14 55.964 42.886 4.074 114 H LYS 15 H LYS 15 53.425 42.925 5.917 115 HA LYS 15 HA LYS 15 52.964 40.001 6.012 116 1HB LYS 15 2HB LYS 15 52.185 42.283 7.844 117 2HB LYS 15 1HB LYS 15 51.775 40.573 8.104 118 1HG LYS 15 1HG LYS 15 54.127 39.958 8.241 119 2HG LYS 15 2HG LYS 15 54.629 41.610 7.827 120 1HD LYS 15 2HD LYS 15 53.550 42.468 9.871 121 2HD LYS 15 1HD LYS 15 53.047 40.818 10.309 122 1HE LYS 15 2HE LYS 15 55.423 40.118 10.392 123 2HE LYS 15 1HE LYS 15 55.925 41.764 9.952 124 1HZ LYS 15 1HZ LYS 15 56.044 41.398 12.296 125 2HZ LYS 15 2HZ LYS 15 54.907 42.545 11.959 126 3HZ LYS 15 3HZ LYS 15 54.441 41.017 12.369 127 H ASP 16 H ASP 16 51.450 43.106 5.230 128 HA ASP 16 HA ASP 16 48.804 42.039 4.686 129 1HB ASP 16 1HB ASP 16 49.270 44.431 5.166 130 2HB ASP 16 2HB ASP 16 50.231 44.535 3.681 131 HD2 ASP 16 HD2 ASP 16 49.180 44.349 1.726 132 H LEU 17 H LEU 17 51.938 42.167 3.119 133 HA LEU 17 HA LEU 17 50.914 41.549 0.450 134 1HB LEU 17 2HB LEU 17 53.018 43.028 1.342 135 2HB LEU 17 1HB LEU 17 53.840 41.476 1.090 136 HG LEU 17 HG LEU 17 52.124 43.008 -0.896 137 1HD1 LEU 17 1HD2 LEU 17 54.265 44.133 -0.397 138 2HD1 LEU 17 2HD2 LEU 17 54.267 43.490 -2.053 139 3HD1 LEU 17 3HD2 LEU 17 55.149 42.635 -0.767 140 1HD2 LEU 17 1HD1 LEU 17 53.815 40.489 -1.263 141 2HD2 LEU 17 2HD1 LEU 17 52.047 40.614 -1.424 142 3HD2 LEU 17 3HD1 LEU 17 53.099 41.421 -2.596 143 H VAL 18 H VAL 18 52.944 40.166 3.103 144 HA VAL 18 HA VAL 18 53.091 37.559 1.791 145 HB VAL 18 HB VAL 18 53.655 38.480 4.614 146 1HG1 VAL 18 1HG2 VAL 18 52.739 36.233 4.877 147 2HG1 VAL 18 2HG2 VAL 18 53.742 35.636 3.531 148 3HG1 VAL 18 3HG2 VAL 18 54.500 36.178 5.044 149 1HG2 VAL 18 1HG1 VAL 18 55.375 37.170 2.456 150 2HG2 VAL 18 2HG1 VAL 18 55.940 37.851 3.996 151 3HG2 VAL 18 3HG1 VAL 18 55.305 38.920 2.728 152 H LYS 19 H LYS 19 50.750 39.309 3.714 153 HA LYS 19 HA LYS 19 49.066 37.029 4.372 154 1HB LYS 19 2HB LYS 19 49.115 39.202 5.584 155 2HB LYS 19 1HB LYS 19 48.325 39.956 4.180 156 1HG LYS 19 1HG LYS 19 46.458 38.313 4.381 157 2HG LYS 19 2HG LYS 19 47.239 37.603 5.807 158 1HD LYS 19 1HD LYS 19 46.320 40.495 5.551 159 2HD LYS 19 2HD LYS 19 45.406 39.189 6.338 160 1HE LYS 19 2HE LYS 19 47.289 38.863 7.943 161 2HE LYS 19 1HE LYS 19 48.121 40.257 7.220 162 1HZ LYS 19 1HZ LYS 19 46.902 40.868 9.154 163 2HZ LYS 19 2HZ LYS 19 46.263 41.608 7.825 164 3HZ LYS 19 3HZ LYS 19 45.489 40.318 8.503 165 H GLY 20 H GLY 20 49.369 39.399 1.755 166 1HA GLY 20 1HA GLY 20 46.962 38.683 0.326 167 2HA GLY 20 2HA GLY 20 48.315 39.677 -0.254 168 H ALA 21 H ALA 21 50.464 37.893 0.093 169 HA ALA 21 HA ALA 21 50.240 36.081 -2.115 170 1HB ALA 21 1HB ALA 21 52.430 35.278 -1.353 171 2HB ALA 21 2HB ALA 21 52.383 37.055 -1.340 172 3HB ALA 21 3HB ALA 21 52.234 36.148 0.184 173 H ALA 22 H ALA 22 49.688 35.859 1.373 174 HA ALA 22 HA ALA 22 49.355 32.941 1.245 175 1HB ALA 22 1HB ALA 22 49.111 34.852 3.588 176 2HB ALA 22 2HB ALA 22 50.571 33.943 3.130 177 3HB ALA 22 3HB ALA 22 49.121 33.077 3.670 178 H GLN 23 H GLN 23 47.451 34.854 -0.181 179 HA GLN 23 HA GLN 23 44.948 34.615 1.276 180 1HB GLN 23 2HB GLN 23 45.498 36.495 -0.208 181 2HB GLN 23 1HB GLN 23 45.559 35.408 -1.606 182 1HG GLN 23 2HG GLN 23 43.124 35.810 0.188 183 2HG GLN 23 1HG GLN 23 43.432 36.724 -1.298 184 1HE2 GLN 23 1HE2 GLN 23 41.499 34.371 -0.233 185 2HE2 GLN 23 2HE2 GLN 23 41.382 33.363 -1.659 186 H GLY 24 H GLY 24 46.385 33.177 -1.709 187 1HA GLY 24 2HA GLY 24 45.215 30.577 -1.209 188 2HA GLY 24 1HA GLY 24 44.383 31.474 -2.501 189 H VAL 25 H VAL 25 47.572 30.335 -1.377 190 HA VAL 25 HA VAL 25 49.097 31.125 -3.591 191 HB VAL 25 HB VAL 25 49.487 28.736 -1.729 192 1HG1 VAL 25 1HG2 VAL 25 50.921 28.565 -3.731 193 2HG1 VAL 25 2HG2 VAL 25 51.460 30.245 -3.500 194 3HG1 VAL 25 3HG2 VAL 25 51.887 28.997 -2.309 195 1HG2 VAL 25 1HG1 VAL 25 50.498 31.604 -1.570 196 2HG2 VAL 25 2HG1 VAL 25 50.963 30.277 -0.480 197 3HG2 VAL 25 3HG1 VAL 25 49.290 30.861 -0.494 198 H LEU 26 H LEU 26 47.762 27.872 -2.851 199 HA LEU 26 HA LEU 26 48.369 26.655 -5.331 200 1HB LEU 26 2HB LEU 26 46.098 26.092 -3.388 201 2HB LEU 26 1HB LEU 26 46.697 24.987 -4.632 202 HG LEU 26 HG LEU 26 48.298 25.996 -2.235 203 1HD1 LEU 26 1HD1 LEU 26 48.089 23.677 -1.443 204 2HD1 LEU 26 2HD1 LEU 26 46.491 24.425 -1.642 205 3HD1 LEU 26 3HD1 LEU 26 47.089 23.272 -2.857 206 1HD2 LEU 26 1HD2 LEU 26 49.927 24.234 -2.933 207 2HD2 LEU 26 2HD2 LEU 26 49.802 25.539 -4.122 208 3HD2 LEU 26 3HD2 LEU 26 48.990 23.983 -4.421 209 H SER 27 H SER 27 45.646 28.700 -4.311 210 HA SER 27 HA SER 27 44.022 28.187 -6.641 211 1HB SER 27 1HB SER 27 43.100 29.020 -4.508 212 2HB SER 27 2HB SER 27 44.023 30.528 -4.693 213 HG SER 27 HG SER 27 41.877 30.703 -5.465 214 H THR 28 H THR 28 46.537 30.619 -5.790 215 HA THR 28 HA THR 28 46.042 32.257 -8.049 216 HB THR 28 HB THR 28 48.592 31.972 -6.428 217 HG1 THR 28 HG1 THR 28 47.704 33.831 -5.429 218 1HG2 THR 28 1HG2 THR 28 47.607 34.067 -8.423 219 2HG2 THR 28 2HG2 THR 28 49.057 33.058 -8.581 220 3HG2 THR 28 3HG2 THR 28 48.985 34.307 -7.329 221 H VAL 29 H VAL 29 48.076 29.355 -7.597 222 HA VAL 29 HA VAL 29 49.639 29.444 -9.906 223 HB VAL 29 HB VAL 29 48.307 27.087 -8.522 224 1HG1 VAL 29 1HG1 VAL 29 49.029 26.406 -10.751 225 2HG1 VAL 29 2HG1 VAL 29 50.611 27.190 -10.505 226 3HG1 VAL 29 3HG1 VAL 29 50.153 25.766 -9.540 227 1HG2 VAL 29 1HG2 VAL 29 51.092 28.308 -8.265 228 2HG2 VAL 29 2HG2 VAL 29 50.524 26.840 -7.441 229 3HG2 VAL 29 3HG2 VAL 29 49.803 28.409 -7.046 230 H SER 30 H SER 30 46.171 28.826 -9.525 231 HA SER 30 HA SER 30 45.867 27.615 -12.096 232 1HB SER 30 1HB SER 30 44.353 27.112 -10.215 233 2HB SER 30 2HB SER 30 43.822 28.802 -10.154 234 HG SER 30 HG SER 30 42.389 27.461 -11.339 235 H CYS 31 H CYS 31 44.624 30.800 -10.947 236 HA CYS 31 HA CYS 31 44.093 31.860 -13.535 237 1HB CYS 31 2HB CYS 31 44.443 34.071 -12.456 238 2HB CYS 31 1HB CYS 31 43.337 33.024 -11.575 239 H LYS 32 H LYS 32 47.133 31.035 -12.017 240 HA LYS 32 HA LYS 32 48.506 33.362 -12.979 241 1HB LYS 32 1HB LYS 32 48.838 32.407 -10.824 242 2HB LYS 32 2HB LYS 32 49.531 30.936 -11.558 243 1HG LYS 32 2HG LYS 32 51.287 32.312 -12.619 244 2HG LYS 32 1HG LYS 32 50.541 33.792 -11.986 245 1HD LYS 32 2HD LYS 32 50.974 33.134 -9.693 246 2HD LYS 32 1HD LYS 32 51.399 31.500 -10.228 247 1HE LYS 32 1HE LYS 32 53.424 32.805 -9.635 248 2HE LYS 32 2HE LYS 32 53.408 32.345 -11.348 249 1HZ LYS 32 1HZ LYS 32 54.054 34.612 -11.044 250 2HZ LYS 32 2HZ LYS 32 52.627 34.538 -11.867 251 3HZ LYS 32 3HZ LYS 32 52.640 34.965 -10.274 252 H LEU 33 H LEU 33 47.682 32.682 -15.113 253 HA LEU 33 HA LEU 33 49.662 31.171 -16.745 254 1HB LEU 33 1HB LEU 33 47.256 32.843 -17.580 255 2HB LEU 33 2HB LEU 33 48.251 31.837 -18.646 256 HG LEU 33 HG LEU 33 46.539 30.825 -16.325 257 1HD1 LEU 33 1HD2 LEU 33 46.162 30.635 -19.342 258 2HD1 LEU 33 2HD2 LEU 33 45.116 29.897 -18.107 259 3HD1 LEU 33 3HD2 LEU 33 45.224 31.665 -18.237 260 1HD2 LEU 33 1HD1 LEU 33 48.467 29.341 -16.674 261 2HD2 LEU 33 2HD1 LEU 33 47.005 28.581 -17.321 262 3HD2 LEU 33 3HD1 LEU 33 48.172 29.334 -18.430 263 H ALA 34 H ALA 34 48.339 34.501 -16.428 264 HA ALA 34 HA ALA 34 51.033 35.619 -16.645 265 1HB ALA 34 1HB ALA 34 50.349 35.391 -19.014 266 2HB ALA 34 2HB ALA 34 50.462 37.097 -18.535 267 3HB ALA 34 3HB ALA 34 48.870 36.317 -18.673 268 H LYS 35 H LYS 35 48.059 35.566 -15.220 269 HA LYS 35 HA LYS 35 47.785 38.420 -14.645 270 1HB LYS 35 2HB LYS 35 45.834 37.626 -13.332 271 2HB LYS 35 1HB LYS 35 45.748 37.428 -15.087 272 1HG LYS 35 1HG LYS 35 46.105 35.126 -15.021 273 2HG LYS 35 2HG LYS 35 46.799 35.168 -13.393 274 1HD LYS 35 2HD LYS 35 44.878 34.402 -12.708 275 2HD LYS 35 1HD LYS 35 44.326 36.085 -12.805 276 1HE LYS 35 2HE LYS 35 43.976 33.987 -14.994 277 2HE LYS 35 1HE LYS 35 42.704 34.625 -13.937 278 1HZ LYS 35 1HZ LYS 35 43.077 36.780 -14.903 279 2HZ LYS 35 2HZ LYS 35 44.243 36.173 -15.899 280 3HZ LYS 35 3HZ LYS 35 42.681 35.675 -16.061 281 H THR 36 H THR 36 48.579 35.409 -12.883 282 HA THR 36 HA THR 36 49.189 35.069 -10.746 283 HB THR 36 HB THR 36 49.987 37.993 -10.453 284 HG1 THR 36 HG1 THR 36 50.966 37.122 -12.306 285 1HG2 THR 36 1HG2 THR 36 51.704 36.975 -8.956 286 2HG2 THR 36 2HG2 THR 36 50.927 35.394 -9.177 287 3HG2 THR 36 3HG2 THR 36 50.056 36.711 -8.366 288 H CYS 37 H CYS 37 46.646 36.554 -11.906 289 HA CYS 37 HA CYS 37 44.513 36.769 -11.053 290 1HB CYS 37 2HB CYS 37 45.892 35.942 -8.525 291 2HB CYS 37 1HB CYS 37 44.361 36.795 -8.402 292 HXT CYS 37 HO OH 38 44.030 39.946 -9.618 Start of MODEL 8 1 1H GLY 1 1H GLY 1 65.070 53.362 12.869 2 2H GLY 1 2H GLY 1 66.687 53.297 13.189 3 3H GLY 1 3H GLY 1 66.038 52.329 12.022 4 1HA GLY 1 2HA GLY 1 66.190 55.256 11.952 5 2HA GLY 1 1HA GLY 1 67.220 54.142 11.033 6 H ILE 2 H ILE 2 66.004 55.935 9.517 7 HA ILE 2 HA ILE 2 63.385 55.292 8.638 8 HB ILE 2 HB ILE 2 64.912 57.389 8.374 9 1HG1 ILE 2 2HG1 ILE 2 62.614 57.409 7.797 10 2HG1 ILE 2 1HG1 ILE 2 63.568 58.251 6.571 11 1HG2 ILE 2 1HG2 ILE 2 65.519 56.002 5.740 12 2HG2 ILE 2 2HG2 ILE 2 66.673 56.348 7.052 13 3HG2 ILE 2 3HG2 ILE 2 65.900 57.679 6.173 14 1HD1 ILE 2 1HD1 ILE 2 63.407 56.171 5.122 15 2HD1 ILE 2 2HD1 ILE 2 61.871 56.995 5.445 16 3HD1 ILE 2 3HD1 ILE 2 62.265 55.518 6.328 17 H LEU 3 H LEU 3 66.598 54.002 7.873 18 HA LEU 3 HA LEU 3 65.878 52.483 5.562 19 1HB LEU 3 1HB LEU 3 68.029 52.274 7.700 20 2HB LEU 3 2HB LEU 3 67.877 51.047 6.443 21 HG LEU 3 HG LEU 3 69.605 52.714 5.969 22 1HD1 LEU 3 1HD1 LEU 3 68.495 51.442 4.154 23 2HD1 LEU 3 2HD1 LEU 3 67.326 52.766 3.948 24 3HD1 LEU 3 3HD1 LEU 3 69.047 53.044 3.624 25 1HD2 LEU 3 1HD2 LEU 3 69.094 54.964 5.281 26 2HD2 LEU 3 2HD2 LEU 3 68.455 54.714 6.919 27 3HD2 LEU 3 3HD2 LEU 3 67.358 54.695 5.510 28 H ASP 4 H ASP 4 65.121 52.036 8.967 29 HA ASP 4 HA ASP 4 64.602 49.146 8.617 30 1HB ASP 4 2HB ASP 4 64.463 50.979 11.050 31 2HB ASP 4 1HB ASP 4 64.188 49.234 11.030 32 HD2 ASP 4 HD2 ASP 4 66.548 51.710 10.414 33 H THR 5 H THR 5 63.201 52.324 8.511 34 HA THR 5 HA THR 5 60.635 51.548 9.456 35 HB THR 5 HB THR 5 61.474 54.025 7.906 36 HG1 THR 5 HG1 THR 5 61.144 53.504 10.678 37 1HG2 THR 5 1HG2 THR 5 59.446 55.033 8.919 38 2HG2 THR 5 2HG2 THR 5 59.033 53.706 7.817 39 3HG2 THR 5 3HG2 THR 5 58.992 53.446 9.577 40 H LEU 6 H LEU 6 62.086 52.161 6.246 41 HA LEU 6 HA LEU 6 59.812 51.630 4.624 42 1HB LEU 6 1HB LEU 6 62.767 51.148 4.076 43 2HB LEU 6 2HB LEU 6 61.487 51.238 2.855 44 HG LEU 6 HG LEU 6 62.335 53.519 4.702 45 1HD1 LEU 6 1HD2 LEU 6 64.037 52.936 3.016 46 2HD1 LEU 6 2HD2 LEU 6 63.278 54.501 2.653 47 3HD1 LEU 6 3HD2 LEU 6 62.812 53.053 1.732 48 1HD2 LEU 6 1HD1 LEU 6 60.361 53.425 2.377 49 2HD2 LEU 6 2HD1 LEU 6 60.936 54.908 3.170 50 3HD2 LEU 6 3HD1 LEU 6 59.966 53.742 4.083 51 H LYS 7 H LYS 7 62.311 49.525 6.062 52 HA LYS 7 HA LYS 7 61.477 47.081 4.826 53 1HB LYS 7 1HB LYS 7 63.046 47.766 7.334 54 2HB LYS 7 2HB LYS 7 62.685 46.100 6.865 55 1HG LYS 7 2HG LYS 7 64.890 46.694 6.093 56 2HG LYS 7 1HG LYS 7 63.820 46.408 4.710 57 1HD LYS 7 1HD LYS 7 63.619 48.810 4.310 58 2HD LYS 7 2HD LYS 7 64.478 49.168 5.826 59 1HE LYS 7 2HE LYS 7 65.977 49.440 3.919 60 2HE LYS 7 1HE LYS 7 66.512 48.080 4.925 61 1HZ LYS 7 1HZ LYS 7 64.957 47.872 2.442 62 2HZ LYS 7 2HZ LYS 7 65.470 46.605 3.365 63 3HZ LYS 7 3HZ LYS 7 66.570 47.565 2.600 64 H GLN 8 H GLN 8 60.711 48.627 7.983 65 HA GLN 8 HA GLN 8 58.956 46.619 8.944 66 1HB GLN 8 1HB GLN 8 60.008 48.385 10.311 67 2HB GLN 8 2HB GLN 8 59.017 49.615 9.503 68 1HG GLN 8 1HG GLN 8 56.967 48.526 10.333 69 2HG GLN 8 2HG GLN 8 57.944 47.261 11.109 70 1HE2 GLN 8 1HE2 GLN 8 59.687 48.130 12.677 71 2HE2 GLN 8 2HE2 GLN 8 59.196 49.445 13.723 72 H PHE 9 H PHE 9 58.394 49.643 7.098 73 HA PHE 9 HA PHE 9 55.569 49.422 6.887 74 1HB PHE 9 2HB PHE 9 56.819 51.473 6.418 75 2HB PHE 9 1HB PHE 9 57.609 50.706 5.038 76 HD1 PHE 9 HD1 PHE 9 54.351 51.938 6.351 77 HD2 PHE 9 HD2 PHE 9 56.502 50.508 2.907 78 HE1 PHE 9 HE1 PHE 9 52.483 52.653 4.884 79 HE2 PHE 9 HE2 PHE 9 54.631 51.222 1.445 80 HZ PHE 9 HZ PHE 9 52.624 52.301 2.431 81 H ALA 10 H ALA 10 58.200 48.392 4.650 82 HA ALA 10 HA ALA 10 56.485 47.167 2.728 83 1HB ALA 10 1HB ALA 10 59.413 46.645 3.382 84 2HB ALA 10 2HB ALA 10 58.795 47.873 2.252 85 3HB ALA 10 3HB ALA 10 58.567 46.146 1.900 86 H LYS 11 H LYS 11 57.852 46.033 5.809 87 HA LYS 11 HA LYS 11 57.313 43.254 5.349 88 1HB LYS 11 2HB LYS 11 59.000 44.122 6.969 89 2HB LYS 11 1HB LYS 11 57.703 44.860 7.912 90 1HG LYS 11 2HG LYS 11 58.425 42.746 8.918 91 2HG LYS 11 1HG LYS 11 56.736 42.676 8.410 92 1HD LYS 11 2HD LYS 11 57.894 40.605 7.855 93 2HD LYS 11 1HD LYS 11 57.357 41.422 6.385 94 1HE LYS 11 2HE LYS 11 59.620 40.491 6.134 95 2HE LYS 11 1HE LYS 11 59.656 42.254 5.993 96 1HZ LYS 11 1HZ LYS 11 60.389 42.349 8.266 97 2HZ LYS 11 2HZ LYS 11 61.410 41.415 7.371 98 3HZ LYS 11 3HZ LYS 11 60.331 40.706 8.397 99 H GLY 12 H GLY 12 55.552 45.978 6.884 100 1HA GLY 12 1HA GLY 12 53.315 44.236 7.565 101 2HA GLY 12 2HA GLY 12 53.418 45.997 7.858 102 H VAL 13 H VAL 13 54.156 46.493 4.982 103 HA VAL 13 HA VAL 13 51.686 45.620 3.593 104 HB VAL 13 HB VAL 13 53.953 47.456 2.696 105 1HG1 VAL 13 1HG2 VAL 13 52.680 46.557 0.775 106 2HG1 VAL 13 2HG2 VAL 13 52.274 48.259 1.021 107 3HG1 VAL 13 3HG2 VAL 13 51.153 46.994 1.577 108 1HG2 VAL 13 1HG1 VAL 13 52.337 49.327 3.098 109 2HG2 VAL 13 2HG1 VAL 13 52.777 48.502 4.600 110 3HG2 VAL 13 3HG1 VAL 13 51.210 48.167 3.831 111 H GLY 14 H GLY 14 53.274 43.703 4.584 112 1HA GLY 14 1HA GLY 14 54.308 42.396 2.126 113 2HA GLY 14 2HA GLY 14 55.310 42.447 3.589 114 H LYS 15 H LYS 15 52.953 42.374 5.392 115 HA LYS 15 HA LYS 15 52.399 39.465 5.271 116 1HB LYS 15 1HB LYS 15 51.618 39.668 7.504 117 2HB LYS 15 2HB LYS 15 53.193 40.479 7.365 118 1HG LYS 15 1HG LYS 15 51.881 42.654 7.028 119 2HG LYS 15 2HG LYS 15 50.431 41.773 7.531 120 1HD LYS 15 1HD LYS 15 52.991 42.032 9.176 121 2HD LYS 15 2HD LYS 15 51.560 43.063 9.345 122 1HE LYS 15 1HE LYS 15 50.186 41.054 9.883 123 2HE LYS 15 2HE LYS 15 51.641 40.041 9.769 124 1HZ LYS 15 1HZ LYS 15 52.587 41.308 11.547 125 2HZ LYS 15 2HZ LYS 15 51.236 42.247 11.656 126 3HZ LYS 15 3HZ LYS 15 51.153 40.639 12.011 127 H ASP 16 H ASP 16 50.978 42.564 4.563 128 HA ASP 16 HA ASP 16 48.231 41.617 4.363 129 1HB ASP 16 1HB ASP 16 48.919 44.008 4.706 130 2HB ASP 16 2HB ASP 16 49.602 44.011 3.076 131 HD2 ASP 16 HD2 ASP 16 48.166 43.664 1.345 132 H LEU 17 H LEU 17 51.211 41.551 2.475 133 HA LEU 17 HA LEU 17 49.897 40.935 -0.082 134 1HB LEU 17 1HB LEU 17 52.740 41.320 0.909 135 2HB LEU 17 2HB LEU 17 52.378 40.769 -0.713 136 HG LEU 17 HG LEU 17 52.878 43.231 -0.441 137 1HD1 LEU 17 1HD1 LEU 17 51.861 42.257 -2.469 138 2HD1 LEU 17 2HD1 LEU 17 51.228 43.883 -2.148 139 3HD1 LEU 17 3HD1 LEU 17 50.242 42.457 -1.763 140 1HD2 LEU 17 1HD2 LEU 17 50.007 43.419 0.529 141 2HD2 LEU 17 2HD2 LEU 17 51.121 44.752 0.193 142 3HD2 LEU 17 3HD2 LEU 17 51.444 43.662 1.555 143 H VAL 18 H VAL 18 52.153 39.545 2.375 144 HA VAL 18 HA VAL 18 52.136 36.942 1.110 145 HB VAL 18 HB VAL 18 53.013 37.910 3.845 146 1HG1 VAL 18 1HG2 VAL 18 53.138 35.093 2.693 147 2HG1 VAL 18 2HG2 VAL 18 52.261 35.603 4.156 148 3HG1 VAL 18 3HG2 VAL 18 54.030 35.651 4.125 149 1HG2 VAL 18 1HG1 VAL 18 54.529 36.769 1.453 150 2HG2 VAL 18 2HG1 VAL 18 55.243 37.408 2.948 151 3HG2 VAL 18 3HG1 VAL 18 54.406 38.498 1.825 152 H LYS 19 H LYS 19 50.113 38.728 3.359 153 HA LYS 19 HA LYS 19 48.519 36.474 4.248 154 1HB LYS 19 1HB LYS 19 48.653 38.597 5.500 155 2HB LYS 19 2HB LYS 19 47.934 39.456 4.125 156 1HG LYS 19 2HG LYS 19 46.271 39.034 5.863 157 2HG LYS 19 1HG LYS 19 45.846 38.170 4.378 158 1HD LYS 19 2HD LYS 19 46.712 36.063 5.333 159 2HD LYS 19 1HD LYS 19 47.294 36.937 6.767 160 1HE LYS 19 1HE LYS 19 45.195 35.805 7.273 161 2HE LYS 19 2HE LYS 19 44.957 37.563 7.323 162 1HZ LYS 19 1HZ LYS 19 43.202 36.440 6.164 163 2HZ LYS 19 2HZ LYS 19 44.265 35.799 5.078 164 3HZ LYS 19 3HZ LYS 19 44.022 37.430 5.132 165 H GLY 20 H GLY 20 48.565 38.717 1.527 166 1HA GLY 20 2HA GLY 20 45.967 38.046 0.442 167 2HA GLY 20 1HA GLY 20 47.288 38.922 -0.363 168 H ALA 21 H ALA 21 49.389 37.121 -0.204 169 HA ALA 21 HA ALA 21 48.786 35.183 -2.223 170 1HB ALA 21 1HB ALA 21 51.176 35.404 -0.352 171 2HB ALA 21 2HB ALA 21 51.015 36.215 -1.928 172 3HB ALA 21 3HB ALA 21 51.095 34.441 -1.844 173 H ALA 22 H ALA 22 48.772 35.156 1.310 174 HA ALA 22 HA ALA 22 48.911 32.311 1.640 175 1HB ALA 22 1HB ALA 22 49.380 33.902 3.462 176 2HB ALA 22 2HB ALA 22 48.127 32.727 3.907 177 3HB ALA 22 3HB ALA 22 47.666 34.384 3.477 178 H GLN 23 H GLN 23 46.373 34.377 0.485 179 HA GLN 23 HA GLN 23 44.058 33.040 1.301 180 1HB GLN 23 2HB GLN 23 44.153 35.215 0.139 181 2HB GLN 23 1HB GLN 23 44.671 34.403 -1.354 182 1HG GLN 23 2HG GLN 23 42.552 33.152 -1.424 183 2HG GLN 23 1HG GLN 23 42.067 33.861 0.129 184 1HE2 GLN 23 1HE2 GLN 23 43.243 34.930 -3.127 185 2HE2 GLN 23 2HE2 GLN 23 42.130 36.272 -3.269 186 H GLY 24 H GLY 24 46.321 32.314 -1.403 187 1HA GLY 24 1HA GLY 24 45.596 29.533 -1.425 188 2HA GLY 24 2HA GLY 24 44.873 30.403 -2.798 189 H VAL 25 H VAL 25 47.961 29.788 -1.087 190 HA VAL 25 HA VAL 25 49.712 31.037 -2.821 191 HB VAL 25 HB VAL 25 51.398 29.484 -1.920 192 1HG1 VAL 25 1HG1 VAL 25 51.134 30.115 0.427 193 2HG1 VAL 25 2HG1 VAL 25 50.634 31.453 -0.631 194 3HG1 VAL 25 3HG1 VAL 25 49.407 30.442 0.173 195 1HG2 VAL 25 1HG2 VAL 25 50.739 27.823 -0.186 196 2HG2 VAL 25 2HG2 VAL 25 50.229 27.361 -1.811 197 3HG2 VAL 25 3HG2 VAL 25 49.042 28.022 -0.660 198 H LEU 26 H LEU 26 48.382 27.769 -2.965 199 HA LEU 26 HA LEU 26 49.812 26.700 -5.121 200 1HB LEU 26 1HB LEU 26 46.904 26.246 -4.373 201 2HB LEU 26 2HB LEU 26 47.899 25.173 -5.369 202 HG LEU 26 HG LEU 26 48.385 25.827 -2.426 203 1HD1 LEU 26 1HD2 LEU 26 47.392 23.300 -3.802 204 2HD1 LEU 26 2HD2 LEU 26 46.405 24.415 -2.829 205 3HD1 LEU 26 3HD2 LEU 26 47.714 23.490 -2.063 206 1HD2 LEU 26 1HD1 LEU 26 49.818 23.920 -4.331 207 2HD2 LEU 26 2HD1 LEU 26 50.045 23.966 -2.569 208 3HD2 LEU 26 3HD1 LEU 26 50.521 25.358 -3.553 209 H SER 27 H SER 27 46.959 28.855 -5.158 210 HA SER 27 HA SER 27 46.819 28.708 -8.099 211 1HB SER 27 2HB SER 27 44.809 30.069 -7.835 212 2HB SER 27 1HB SER 27 44.739 28.623 -6.810 213 HG SER 27 HG SER 27 44.100 30.526 -5.712 214 H THR 28 H THR 28 47.538 31.103 -5.511 215 HA THR 28 HA THR 28 47.810 33.405 -7.010 216 HB THR 28 HB THR 28 49.536 32.457 -4.688 217 HG1 THR 28 HG1 THR 28 48.023 33.665 -3.501 218 1HG2 THR 28 1HG2 THR 28 49.068 35.252 -5.818 219 2HG2 THR 28 2HG2 THR 28 50.606 34.362 -5.820 220 3HG2 THR 28 3HG2 THR 28 49.898 34.892 -4.289 221 H VAL 29 H VAL 29 50.411 31.030 -6.301 222 HA VAL 29 HA VAL 29 52.502 32.194 -7.685 223 HB VAL 29 HB VAL 29 52.543 30.202 -6.202 224 1HG1 VAL 29 1HG1 VAL 29 52.150 27.977 -7.074 225 2HG1 VAL 29 2HG1 VAL 29 50.678 28.954 -7.239 226 3HG1 VAL 29 3HG1 VAL 29 51.697 28.625 -8.661 227 1HG2 VAL 29 1HG2 VAL 29 54.503 30.837 -7.586 228 2HG2 VAL 29 2HG2 VAL 29 54.404 29.080 -7.348 229 3HG2 VAL 29 3HG2 VAL 29 53.911 29.793 -8.898 230 H SER 30 H SER 30 49.773 30.397 -8.938 231 HA SER 30 HA SER 30 50.825 30.401 -11.673 232 1HB SER 30 2HB SER 30 49.452 28.492 -10.630 233 2HB SER 30 1HB SER 30 48.059 29.575 -10.655 234 HG SER 30 HG SER 30 49.605 28.802 -12.908 235 H CYS 31 H CYS 31 47.866 31.650 -10.117 236 HA CYS 31 HA CYS 31 46.977 33.129 -12.330 237 1HB CYS 31 2HB CYS 31 46.610 33.874 -9.424 238 2HB CYS 31 1HB CYS 31 45.558 34.307 -10.774 239 H LYS 32 H LYS 32 49.873 33.745 -10.573 240 HA LYS 32 HA LYS 32 49.297 36.527 -10.102 241 1HB LYS 32 2HB LYS 32 51.375 36.770 -9.118 242 2HB LYS 32 1HB LYS 32 50.601 35.274 -8.584 243 1HG LYS 32 2HG LYS 32 51.980 34.140 -10.477 244 2HG LYS 32 1HG LYS 32 52.970 35.613 -10.479 245 1HD LYS 32 1HD LYS 32 52.280 34.122 -7.937 246 2HD LYS 32 2HD LYS 32 53.657 33.611 -8.943 247 1HE LYS 32 1HE LYS 32 54.551 34.959 -7.209 248 2HE LYS 32 2HE LYS 32 54.628 35.921 -8.695 249 1HZ LYS 32 1HZ LYS 32 52.537 36.151 -6.646 250 2HZ LYS 32 2HZ LYS 32 52.745 37.133 -7.957 251 3HZ LYS 32 3HZ LYS 32 53.862 37.126 -6.753 252 H LEU 33 H LEU 33 49.235 35.689 -12.952 253 HA LEU 33 HA LEU 33 51.252 37.137 -14.398 254 1HB LEU 33 2HB LEU 33 48.296 36.722 -15.008 255 2HB LEU 33 1HB LEU 33 49.530 37.248 -16.164 256 HG LEU 33 HG LEU 33 49.472 34.546 -14.738 257 1HD1 LEU 33 1HD1 LEU 33 47.673 34.823 -16.404 258 2HD1 LEU 33 2HD1 LEU 33 48.871 35.315 -17.622 259 3HD1 LEU 33 3HD1 LEU 33 48.898 33.664 -16.963 260 1HD2 LEU 33 1HD2 LEU 33 51.246 33.950 -16.392 261 2HD2 LEU 33 2HD2 LEU 33 51.308 35.648 -16.914 262 3HD2 LEU 33 3HD2 LEU 33 51.785 35.198 -15.259 263 H ALA 34 H ALA 34 48.178 38.013 -12.810 264 HA ALA 34 HA ALA 34 49.176 40.766 -12.484 265 1HB ALA 34 1HB ALA 34 47.780 40.850 -14.525 266 2HB ALA 34 2HB ALA 34 46.429 40.113 -13.634 267 3HB ALA 34 3HB ALA 34 47.020 41.731 -13.183 268 H LYS 35 H LYS 35 49.247 38.738 -10.643 269 HA LYS 35 HA LYS 35 48.576 38.006 -8.625 270 1HB LYS 35 1HB LYS 35 49.045 40.650 -8.538 271 2HB LYS 35 2HB LYS 35 47.364 40.658 -7.994 272 1HG LYS 35 2HG LYS 35 49.726 39.131 -6.809 273 2HG LYS 35 1HG LYS 35 48.884 40.514 -6.084 274 1HD LYS 35 1HD LYS 35 46.806 39.128 -5.933 275 2HD LYS 35 2HD LYS 35 47.719 37.748 -6.601 276 1HE LYS 35 1HE LYS 35 49.278 37.844 -4.689 277 2HE LYS 35 2HE LYS 35 48.404 39.244 -4.032 278 1HZ LYS 35 1HZ LYS 35 46.477 37.865 -3.813 279 2HZ LYS 35 2HZ LYS 35 47.747 37.218 -2.984 280 3HZ LYS 35 3HZ LYS 35 47.284 36.562 -4.424 281 H THR 36 H THR 36 46.797 37.148 -10.492 282 HA THR 36 HA THR 36 44.142 38.108 -10.117 283 HB THR 36 HB THR 36 45.160 35.599 -11.492 284 HG1 THR 36 HG1 THR 36 45.079 36.992 -13.300 285 1HG2 THR 36 1HG2 THR 36 42.735 35.459 -11.184 286 2HG2 THR 36 2HG2 THR 36 43.095 35.868 -12.868 287 3HG2 THR 36 3HG2 THR 36 42.540 37.136 -11.753 288 H CYS 37 H CYS 37 45.990 35.808 -8.293 289 HA CYS 37 HA CYS 37 43.542 35.154 -6.746 290 1HB CYS 37 2HB CYS 37 45.604 33.058 -7.449 291 2HB CYS 37 1HB CYS 37 44.114 32.840 -6.530 292 HXT CYS 37 HO OH 38 44.052 34.437 -4.658 Start of MODEL 9 1 1H GLY 1 1H GLY 1 68.267 58.156 8.220 2 2H GLY 1 2H GLY 1 68.958 57.194 9.367 3 3H GLY 1 3H GLY 1 69.385 58.783 9.258 4 1HA GLY 1 1HA GLY 1 67.950 58.453 11.121 5 2HA GLY 1 2HA GLY 1 67.213 59.495 9.889 6 H ILE 2 H ILE 2 66.171 57.933 8.029 7 HA ILE 2 HA ILE 2 63.972 56.601 9.388 8 HB ILE 2 HB ILE 2 63.128 56.374 7.049 9 1HG1 ILE 2 1HG1 ILE 2 65.472 58.132 6.228 10 2HG1 ILE 2 2HG1 ILE 2 65.437 56.382 5.959 11 1HG2 ILE 2 1HG2 ILE 2 62.595 58.282 8.545 12 2HG2 ILE 2 2HG2 ILE 2 63.971 59.181 7.871 13 3HG2 ILE 2 3HG2 ILE 2 62.589 58.753 6.840 14 1HD1 ILE 2 1HD1 ILE 2 64.677 57.484 3.954 15 2HD1 ILE 2 2HD1 ILE 2 63.300 56.642 4.695 16 3HD1 ILE 2 3HD1 ILE 2 63.456 58.407 4.851 17 H LEU 3 H LEU 3 66.033 55.179 10.160 18 HA LEU 3 HA LEU 3 66.753 53.083 8.291 19 1HB LEU 3 2HB LEU 3 67.354 53.416 11.256 20 2HB LEU 3 1HB LEU 3 68.168 52.315 10.136 21 HG LEU 3 HG LEU 3 68.216 55.364 10.021 22 1HD1 LEU 3 1HD2 LEU 3 69.519 54.395 11.875 23 2HD1 LEU 3 2HD2 LEU 3 70.581 55.096 10.635 24 3HD1 LEU 3 3HD2 LEU 3 70.369 53.333 10.728 25 1HD2 LEU 3 1HD1 LEU 3 68.382 54.458 7.745 26 2HD2 LEU 3 2HD1 LEU 3 69.972 55.023 8.279 27 3HD2 LEU 3 3HD1 LEU 3 69.609 53.283 8.279 28 H ASP 4 H ASP 4 64.791 53.335 11.249 29 HA ASP 4 HA ASP 4 63.988 50.489 11.059 30 1HB ASP 4 2HB ASP 4 63.479 52.674 13.121 31 2HB ASP 4 1HB ASP 4 62.854 51.021 13.204 32 HD2 ASP 4 HD2 ASP 4 66.780 51.759 13.951 33 H THR 5 H THR 5 63.165 53.605 9.945 34 HA THR 5 HA THR 5 60.362 53.484 10.358 35 HB THR 5 HB THR 5 62.046 55.191 8.497 36 HG1 THR 5 HG1 THR 5 61.807 56.677 10.221 37 1HG2 THR 5 1HG2 THR 5 59.178 55.555 9.467 38 2HG2 THR 5 2HG2 THR 5 60.125 56.775 8.586 39 3HG2 THR 5 3HG2 THR 5 59.693 55.250 7.790 40 H LEU 6 H LEU 6 62.328 53.319 7.324 41 HA LEU 6 HA LEU 6 60.279 52.346 5.621 42 1HB LEU 6 1HB LEU 6 63.280 51.829 5.559 43 2HB LEU 6 2HB LEU 6 62.160 51.571 4.212 44 HG LEU 6 HG LEU 6 62.774 54.266 5.510 45 1HD1 LEU 6 1HD1 LEU 6 63.946 54.719 3.382 46 2HD1 LEU 6 2HD1 LEU 6 64.663 53.334 4.231 47 3HD1 LEU 6 3HD1 LEU 6 63.596 53.065 2.834 48 1HD2 LEU 6 1HD2 LEU 6 61.562 55.175 3.518 49 2HD2 LEU 6 2HD2 LEU 6 60.495 54.257 4.592 50 3HD2 LEU 6 3HD2 LEU 6 61.082 53.521 3.081 51 H LYS 7 H LYS 7 62.576 50.666 7.800 52 HA LYS 7 HA LYS 7 62.089 48.020 7.062 53 1HB LYS 7 2HB LYS 7 63.905 48.835 8.466 54 2HB LYS 7 1HB LYS 7 62.759 49.223 9.764 55 1HG LYS 7 2HG LYS 7 62.172 46.877 10.021 56 2HG LYS 7 1HG LYS 7 63.149 46.436 8.593 57 1HD LYS 7 1HD LYS 7 65.174 47.270 9.679 58 2HD LYS 7 2HD LYS 7 64.240 47.771 11.103 59 1HE LYS 7 1HE LYS 7 64.487 44.896 10.097 60 2HE LYS 7 2HE LYS 7 65.445 45.591 11.419 61 1HZ LYS 7 1HZ LYS 7 62.525 45.339 11.390 62 2HZ LYS 7 2HZ LYS 7 63.574 44.392 12.238 63 3HZ LYS 7 3HZ LYS 7 63.425 45.992 12.607 64 H GLN 8 H GLN 8 60.391 50.105 9.474 65 HA GLN 8 HA GLN 8 58.653 48.149 10.494 66 1HB GLN 8 1HB GLN 8 59.060 50.361 11.515 67 2HB GLN 8 2HB GLN 8 58.269 51.153 10.146 68 1HG GLN 8 2HG GLN 8 56.765 51.035 12.036 69 2HG GLN 8 1HG GLN 8 56.138 50.056 10.702 70 1HE2 GLN 8 2HE2 GLN 8 56.101 47.748 10.911 71 2HE2 GLN 8 1HE2 GLN 8 56.318 46.964 12.461 72 H PHE 9 H PHE 9 58.150 50.548 7.860 73 HA PHE 9 HA PHE 9 55.561 49.577 7.117 74 1HB PHE 9 1HB PHE 9 57.626 51.157 5.540 75 2HB PHE 9 2HB PHE 9 55.940 50.920 5.067 76 HD1 PHE 9 HD1 PHE 9 58.034 53.317 6.340 77 HD2 PHE 9 HD2 PHE 9 54.239 51.469 7.195 78 HE1 PHE 9 HE1 PHE 9 57.322 55.339 7.585 79 HE2 PHE 9 HE2 PHE 9 53.548 53.480 8.464 80 HZ PHE 9 HZ PHE 9 55.090 55.416 8.664 81 H ALA 10 H ALA 10 58.870 48.800 5.975 82 HA ALA 10 HA ALA 10 58.071 47.096 3.830 83 1HB ALA 10 1HB ALA 10 60.348 46.191 4.012 84 2HB ALA 10 2HB ALA 10 60.364 47.965 4.110 85 3HB ALA 10 3HB ALA 10 60.558 46.989 5.585 86 H LYS 11 H LYS 11 58.519 46.566 7.343 87 HA LYS 11 HA LYS 11 57.715 43.740 7.141 88 1HB LYS 11 1HB LYS 11 58.271 45.574 9.503 89 2HB LYS 11 2HB LYS 11 57.810 43.861 9.629 90 1HG LYS 11 1HG LYS 11 59.791 43.172 8.380 91 2HG LYS 11 2HG LYS 11 60.247 44.859 8.098 92 1HD LYS 11 1HD LYS 11 61.599 43.978 9.883 93 2HD LYS 11 2HD LYS 11 60.497 45.199 10.550 94 1HE LYS 11 1HE LYS 11 59.025 43.422 11.416 95 2HE LYS 11 2HE LYS 11 60.041 42.183 10.647 96 1HZ LYS 11 1HZ LYS 11 60.888 44.036 12.756 97 2HZ LYS 11 2HZ LYS 11 61.833 42.884 12.050 98 3HZ LYS 11 3HZ LYS 11 60.529 42.439 12.956 99 H GLY 12 H GLY 12 55.933 45.445 5.890 100 1HA GLY 12 1HA GLY 12 53.502 44.574 7.091 101 2HA GLY 12 2HA GLY 12 53.657 46.358 7.200 102 H VAL 13 H VAL 13 55.159 46.664 4.747 103 HA VAL 13 HA VAL 13 53.433 45.527 2.636 104 HB VAL 13 HB VAL 13 55.894 47.323 2.464 105 1HG1 VAL 13 1HG2 VAL 13 55.394 46.153 0.332 106 2HG1 VAL 13 2HG2 VAL 13 55.012 47.874 0.200 107 3HG1 VAL 13 3HG2 VAL 13 53.703 46.692 0.438 108 1HG2 VAL 13 1HG1 VAL 13 54.118 48.547 3.660 109 2HG2 VAL 13 2HG1 VAL 13 52.943 48.097 2.404 110 3HG2 VAL 13 3HG1 VAL 13 54.290 49.190 2.021 111 H GLY 14 H GLY 14 54.490 43.823 4.348 112 1HA GLY 14 2HA GLY 14 56.196 42.133 2.654 113 2HA GLY 14 1HA GLY 14 56.812 42.525 4.273 114 H LYS 15 H LYS 15 54.059 42.793 5.372 115 HA LYS 15 HA LYS 15 53.443 39.972 5.923 116 1HB LYS 15 2HB LYS 15 52.166 42.575 6.818 117 2HB LYS 15 1HB LYS 15 51.735 40.946 7.388 118 1HG LYS 15 1HG LYS 15 53.977 40.633 8.333 119 2HG LYS 15 2HG LYS 15 54.517 42.178 7.651 120 1HD LYS 15 1HD LYS 15 54.061 42.479 9.998 121 2HD LYS 15 2HD LYS 15 52.872 43.388 9.044 122 1HE LYS 15 2HE LYS 15 51.192 41.622 9.423 123 2HE LYS 15 1HE LYS 15 52.401 40.633 10.271 124 1HZ LYS 15 1HZ LYS 15 51.434 43.269 11.119 125 2HZ LYS 15 2HZ LYS 15 50.996 41.819 11.773 126 3HZ LYS 15 3HZ LYS 15 52.551 42.351 11.913 127 H ASP 16 H ASP 16 52.111 42.860 4.306 128 HA ASP 16 HA ASP 16 49.690 41.720 3.319 129 1HB ASP 16 2HB ASP 16 50.211 44.146 3.492 130 2HB ASP 16 1HB ASP 16 51.426 43.968 2.218 131 HD2 ASP 16 HD2 ASP 16 50.750 43.594 0.154 132 H LEU 17 H LEU 17 53.038 41.276 2.452 133 HA LEU 17 HA LEU 17 52.462 40.382 -0.304 134 1HB LEU 17 1HB LEU 17 55.063 40.569 1.265 135 2HB LEU 17 2HB LEU 17 54.878 40.211 -0.454 136 HG LEU 17 HG LEU 17 54.259 42.855 0.924 137 1HD1 LEU 17 1HD1 LEU 17 56.656 42.368 0.441 138 2HD1 LEU 17 2HD1 LEU 17 56.241 42.080 -1.261 139 3HD1 LEU 17 3HD1 LEU 17 56.037 43.699 -0.559 140 1HD2 LEU 17 1HD2 LEU 17 53.801 42.019 -1.972 141 2HD2 LEU 17 2HD2 LEU 17 53.756 43.693 -1.378 142 3HD2 LEU 17 3HD2 LEU 17 52.557 42.526 -0.803 143 H VAL 18 H VAL 18 53.587 39.313 2.922 144 HA VAL 18 HA VAL 18 53.795 36.532 2.208 145 HB VAL 18 HB VAL 18 53.554 38.087 4.795 146 1HG1 VAL 18 1HG1 VAL 18 52.350 36.021 5.226 147 2HG1 VAL 18 2HG1 VAL 18 53.651 35.070 4.462 148 3HG1 VAL 18 3HG1 VAL 18 53.950 35.944 5.984 149 1HG2 VAL 18 1HG2 VAL 18 55.739 38.032 3.547 150 2HG2 VAL 18 2HG2 VAL 18 55.718 36.261 3.653 151 3HG2 VAL 18 3HG2 VAL 18 55.833 37.238 5.132 152 H LYS 19 H LYS 19 51.235 38.787 3.129 153 HA LYS 19 HA LYS 19 49.177 36.791 3.561 154 1HB LYS 19 1HB LYS 19 49.077 39.074 4.501 155 2HB LYS 19 2HB LYS 19 49.003 39.745 2.862 156 1HG LYS 19 2HG LYS 19 46.783 39.656 3.879 157 2HG LYS 19 1HG LYS 19 46.856 38.592 2.464 158 1HD LYS 19 1HD LYS 19 47.208 36.637 3.950 159 2HD LYS 19 2HD LYS 19 47.144 37.698 5.372 160 1HE LYS 19 1HE LYS 19 44.891 37.309 3.351 161 2HE LYS 19 2HE LYS 19 44.996 36.515 4.933 162 1HZ LYS 19 1HZ LYS 19 43.606 38.425 5.022 163 2HZ LYS 19 2HZ LYS 19 44.943 38.666 5.956 164 3HZ LYS 19 3HZ LYS 19 44.817 39.407 4.487 165 H GLY 20 H GLY 20 50.473 38.652 0.854 166 1HA GLY 20 1HA GLY 20 48.442 37.955 -1.085 167 2HA GLY 20 2HA GLY 20 50.025 38.701 -1.390 168 H ALA 21 H ALA 21 51.735 36.788 -0.216 169 HA ALA 21 HA ALA 21 51.826 34.656 -2.131 170 1HB ALA 21 1HB ALA 21 53.821 35.520 -0.948 171 2HB ALA 21 2HB ALA 21 53.156 34.932 0.594 172 3HB ALA 21 3HB ALA 21 53.605 33.776 -0.679 173 H ALA 22 H ALA 22 50.442 35.084 1.099 174 HA ALA 22 HA ALA 22 49.647 32.256 1.250 175 1HB ALA 22 1HB ALA 22 50.568 33.357 3.245 176 2HB ALA 22 2HB ALA 22 49.227 34.525 3.218 177 3HB ALA 22 3HB ALA 22 48.904 32.802 3.507 178 H GLN 23 H GLN 23 48.496 33.625 -0.942 179 HA GLN 23 HA GLN 23 45.764 34.383 -0.162 180 1HB GLN 23 2HB GLN 23 46.899 35.744 -1.788 181 2HB GLN 23 1HB GLN 23 47.257 34.338 -2.807 182 1HG GLN 23 1HG GLN 23 44.811 33.985 -3.141 183 2HG GLN 23 2HG GLN 23 44.486 35.406 -2.129 184 1HE2 GLN 23 1HE2 GLN 23 45.684 37.483 -2.895 185 2HE2 GLN 23 2HE2 GLN 23 45.694 37.767 -4.623 186 H GLY 24 H GLY 24 47.305 32.013 -2.433 187 1HA GLY 24 2HA GLY 24 44.777 30.547 -2.655 188 2HA GLY 24 1HA GLY 24 46.270 30.255 -3.553 189 H VAL 25 H VAL 25 47.676 28.117 -0.976 190 HA VAL 25 HA VAL 25 48.464 30.287 -2.771 191 HB VAL 25 HB VAL 25 49.959 27.816 -1.811 192 1HG1 VAL 25 1HG2 VAL 25 50.909 30.457 -3.008 193 2HG1 VAL 25 2HG2 VAL 25 50.965 28.869 -3.806 194 3HG1 VAL 25 3HG2 VAL 25 51.959 29.173 -2.371 195 1HG2 VAL 25 1HG1 VAL 25 50.987 29.378 -0.171 196 2HG2 VAL 25 2HG1 VAL 25 49.835 30.637 -0.676 197 3HG2 VAL 25 3HG1 VAL 25 49.252 29.153 0.115 198 H LEU 26 H LEU 26 47.969 26.761 -2.839 199 HA LEU 26 HA LEU 26 48.879 26.134 -5.384 200 1HB LEU 26 2HB LEU 26 46.529 24.959 -3.856 201 2HB LEU 26 1HB LEU 26 47.384 24.176 -5.191 202 HG LEU 26 HG LEU 26 48.615 24.917 -2.496 203 1HD1 LEU 26 1HD2 LEU 26 47.826 22.228 -3.685 204 2HD1 LEU 26 2HD2 LEU 26 46.979 23.075 -2.370 205 3HD1 LEU 26 3HD2 LEU 26 48.636 22.486 -2.123 206 1HD2 LEU 26 1HD1 LEU 26 49.752 23.409 -4.893 207 2HD2 LEU 26 2HD1 LEU 26 50.328 24.968 -4.256 208 3HD2 LEU 26 3HD1 LEU 26 50.512 23.496 -3.290 209 H SER 27 H SER 27 46.035 27.976 -4.585 210 HA SER 27 HA SER 27 44.711 27.436 -7.152 211 1HB SER 27 2HB SER 27 44.061 29.360 -4.878 212 2HB SER 27 1HB SER 27 43.015 28.985 -6.265 213 HG SER 27 HG SER 27 43.036 26.801 -5.562 214 H THR 28 H THR 28 46.290 30.213 -5.478 215 HA THR 28 HA THR 28 45.871 32.206 -7.324 216 HB THR 28 HB THR 28 48.389 31.665 -5.703 217 HG1 THR 28 HG1 THR 28 47.324 33.018 -4.234 218 1HG2 THR 28 1HG2 THR 28 47.328 34.231 -6.973 219 2HG2 THR 28 2HG2 THR 28 48.822 33.379 -7.423 220 3HG2 THR 28 3HG2 THR 28 48.685 34.139 -5.829 221 H VAL 29 H VAL 29 48.639 29.905 -7.310 222 HA VAL 29 HA VAL 29 50.052 30.813 -9.486 223 HB VAL 29 HB VAL 29 50.779 28.429 -9.705 224 1HG1 VAL 29 1HG2 VAL 29 51.894 30.052 -8.210 225 2HG1 VAL 29 2HG2 VAL 29 51.926 28.416 -7.523 226 3HG1 VAL 29 3HG2 VAL 29 50.776 29.617 -6.898 227 1HG2 VAL 29 1HG1 VAL 29 48.919 27.954 -7.350 228 2HG2 VAL 29 2HG1 VAL 29 48.718 27.275 -8.984 229 3HG2 VAL 29 3HG1 VAL 29 50.113 26.816 -7.996 230 H SER 30 H SER 30 47.175 28.669 -9.547 231 HA SER 30 HA SER 30 47.379 28.210 -12.363 232 1HB SER 30 1HB SER 30 45.420 26.949 -12.134 233 2HB SER 30 2HB SER 30 46.181 26.803 -10.534 234 HG SER 30 HG SER 30 44.777 28.427 -9.809 235 H CYS 31 H CYS 31 45.109 30.185 -10.454 236 HA CYS 31 HA CYS 31 44.202 31.638 -12.831 237 1HB CYS 31 1HB CYS 31 42.837 32.895 -11.146 238 2HB CYS 31 2HB CYS 31 42.561 31.157 -11.218 239 H LYS 32 H LYS 32 47.127 31.795 -12.010 240 HA LYS 32 HA LYS 32 47.428 34.513 -11.034 241 1HB LYS 32 1HB LYS 32 48.824 32.560 -10.387 242 2HB LYS 32 2HB LYS 32 49.497 32.504 -12.035 243 1HG LYS 32 2HG LYS 32 49.510 34.996 -10.344 244 2HG LYS 32 1HG LYS 32 50.760 33.746 -10.161 245 1HD LYS 32 2HD LYS 32 51.411 34.018 -12.520 246 2HD LYS 32 1HD LYS 32 50.149 35.254 -12.741 247 1HE LYS 32 1HE LYS 32 51.216 36.702 -11.084 248 2HE LYS 32 2HE LYS 32 52.407 35.445 -10.703 249 1HZ LYS 32 1HZ LYS 32 52.115 36.805 -13.291 250 2HZ LYS 32 2HZ LYS 32 53.227 35.638 -12.938 251 3HZ LYS 32 3HZ LYS 32 53.291 37.097 -12.172 252 H LEU 33 H LEU 33 47.985 32.734 -14.051 253 HA LEU 33 HA LEU 33 49.391 34.524 -15.556 254 1HB LEU 33 1HB LEU 33 48.825 32.264 -16.280 255 2HB LEU 33 2HB LEU 33 47.121 32.709 -16.448 256 HG LEU 33 HG LEU 33 47.709 34.306 -18.260 257 1HD1 LEU 33 1HD2 LEU 33 50.528 33.203 -17.870 258 2HD1 LEU 33 2HD2 LEU 33 50.014 34.891 -17.633 259 3HD1 LEU 33 3HD2 LEU 33 49.996 34.181 -19.255 260 1HD2 LEU 33 1HD1 LEU 33 48.800 31.491 -18.659 261 2HD2 LEU 33 2HD1 LEU 33 47.092 31.973 -18.777 262 3HD2 LEU 33 3HD1 LEU 33 48.275 32.602 -19.943 263 H ALA 34 H ALA 34 45.779 34.317 -15.823 264 HA ALA 34 HA ALA 34 45.624 36.964 -16.989 265 1HB ALA 34 1HB ALA 34 43.461 35.133 -15.872 266 2HB ALA 34 2HB ALA 34 43.187 36.579 -16.871 267 3HB ALA 34 3HB ALA 34 44.021 35.169 -17.560 268 H LYS 35 H LYS 35 46.079 35.849 -13.895 269 HA LYS 35 HA LYS 35 45.867 36.593 -11.820 270 1HB LYS 35 1HB LYS 35 47.590 38.028 -13.088 271 2HB LYS 35 2HB LYS 35 46.390 39.321 -12.999 272 1HG LYS 35 1HG LYS 35 48.033 39.430 -11.173 273 2HG LYS 35 2HG LYS 35 46.406 39.145 -10.521 274 1HD LYS 35 1HD LYS 35 46.878 36.784 -10.200 275 2HD LYS 35 2HD LYS 35 48.448 36.922 -11.012 276 1HE LYS 35 1HE LYS 35 47.663 38.366 -8.440 277 2HE LYS 35 2HE LYS 35 48.592 36.856 -8.517 278 1HZ LYS 35 1HZ LYS 35 49.423 39.424 -9.662 279 2HZ LYS 35 2HZ LYS 35 50.268 38.010 -9.752 280 3HZ LYS 35 3HZ LYS 35 50.015 38.729 -8.290 281 H THR 36 H THR 36 43.376 36.179 -12.563 282 HA THR 36 HA THR 36 41.717 38.389 -11.563 283 HB THR 36 HB THR 36 40.742 36.702 -13.058 284 HG1 THR 36 HG1 THR 36 39.483 37.727 -11.453 285 1HG2 THR 36 1HG2 THR 36 42.057 34.712 -12.378 286 2HG2 THR 36 2HG2 THR 36 41.253 34.728 -10.789 287 3HG2 THR 36 3HG2 THR 36 40.313 34.416 -12.261 288 H CYS 37 H CYS 37 43.977 36.077 -10.388 289 HA CYS 37 HA CYS 37 43.004 36.301 -7.579 290 1HB CYS 37 1HB CYS 37 44.865 34.365 -8.987 291 2HB CYS 37 2HB CYS 37 44.588 34.387 -7.243 292 HXT CYS 37 HO OH 38 45.522 38.810 -7.591 Start of MODEL 10 1 1H GLY 1 1H GLY 1 64.058 55.134 11.424 2 2H GLY 1 2H GLY 1 65.599 55.134 10.834 3 3H GLY 1 3H GLY 1 64.785 56.557 11.011 4 1HA GLY 1 2HA GLY 1 64.067 54.390 9.177 5 2HA GLY 1 1HA GLY 1 63.194 55.927 9.360 6 H ILE 2 H ILE 2 65.340 56.433 6.401 7 HA ILE 2 HA ILE 2 62.841 55.185 7.312 8 HB ILE 2 HB ILE 2 62.360 55.220 4.850 9 1HG1 ILE 2 2HG1 ILE 2 63.571 56.764 3.431 10 2HG1 ILE 2 1HG1 ILE 2 64.768 57.087 4.687 11 1HG2 ILE 2 1HG2 ILE 2 62.955 57.857 6.239 12 2HG2 ILE 2 2HG2 ILE 2 61.831 57.617 4.884 13 3HG2 ILE 2 3HG2 ILE 2 61.496 56.864 6.455 14 1HD1 ILE 2 1HD1 ILE 2 65.606 54.791 4.524 15 2HD1 ILE 2 2HD1 ILE 2 65.545 55.509 2.908 16 3HD1 ILE 2 3HD1 ILE 2 64.286 54.360 3.404 17 H LEU 3 H LEU 3 65.721 53.938 7.387 18 HA LEU 3 HA LEU 3 65.488 51.677 5.585 19 1HB LEU 3 1HB LEU 3 67.342 52.224 7.937 20 2HB LEU 3 2HB LEU 3 67.541 50.916 6.762 21 HG LEU 3 HG LEU 3 67.605 53.899 6.100 22 1HD1 LEU 3 1HD2 LEU 3 69.531 53.166 7.456 23 2HD1 LEU 3 2HD2 LEU 3 70.021 53.535 5.789 24 3HD1 LEU 3 3HD2 LEU 3 69.842 51.843 6.309 25 1HD2 LEU 3 1HD1 LEU 3 68.188 51.427 4.406 26 2HD2 LEU 3 2HD1 LEU 3 66.854 52.578 4.161 27 3HD2 LEU 3 3HD1 LEU 3 68.527 53.102 3.919 28 H ASP 4 H ASP 4 64.198 52.405 8.690 29 HA ASP 4 HA ASP 4 63.661 49.550 9.295 30 1HB ASP 4 2HB ASP 4 64.350 51.066 11.149 31 2HB ASP 4 1HB ASP 4 62.988 52.132 10.775 32 HD2 ASP 4 HD2 ASP 4 63.685 48.768 11.451 33 H THR 5 H THR 5 62.406 52.535 7.962 34 HA THR 5 HA THR 5 59.701 52.030 8.591 35 HB THR 5 HB THR 5 60.929 53.985 6.610 36 HG1 THR 5 HG1 THR 5 60.175 54.221 9.338 37 1HG2 THR 5 1HG2 THR 5 58.522 53.757 6.215 38 2HG2 THR 5 2HG2 THR 5 58.195 53.946 7.955 39 3HG2 THR 5 3HG2 THR 5 58.860 55.302 7.017 40 H LEU 6 H LEU 6 61.377 52.019 5.377 41 HA LEU 6 HA LEU 6 59.152 51.008 3.909 42 1HB LEU 6 2HB LEU 6 62.141 50.769 3.396 43 2HB LEU 6 1HB LEU 6 60.860 50.516 2.203 44 HG LEU 6 HG LEU 6 61.467 53.148 3.629 45 1HD1 LEU 6 1HD1 LEU 6 62.267 53.872 1.420 46 2HD1 LEU 6 2HD1 LEU 6 63.191 52.467 1.996 47 3HD1 LEU 6 3HD1 LEU 6 61.934 52.256 0.755 48 1HD2 LEU 6 1HD2 LEU 6 59.898 54.108 1.936 49 2HD2 LEU 6 2HD2 LEU 6 59.471 52.461 1.425 50 3HD2 LEU 6 3HD2 LEU 6 59.080 53.022 3.069 51 H LYS 7 H LYS 7 61.762 49.491 5.763 52 HA LYS 7 HA LYS 7 61.359 46.793 4.928 53 1HB LYS 7 2HB LYS 7 62.673 48.204 7.265 54 2HB LYS 7 1HB LYS 7 62.627 46.444 7.162 55 1HG LYS 7 2HG LYS 7 64.721 47.416 6.240 56 2HG LYS 7 1HG LYS 7 63.828 46.446 5.057 57 1HD LYS 7 2HD LYS 7 62.988 48.412 3.940 58 2HD LYS 7 1HD LYS 7 63.605 49.480 5.218 59 1HE LYS 7 2HE LYS 7 65.927 48.785 4.654 60 2HE LYS 7 1HE LYS 7 65.290 47.764 3.348 61 1HZ LYS 7 1HZ LYS 7 64.989 50.677 3.556 62 2HZ LYS 7 2HZ LYS 7 64.398 49.734 2.339 63 3HZ LYS 7 3HZ LYS 7 66.027 49.881 2.552 64 H GLN 8 H GLN 8 60.037 48.799 7.591 65 HA GLN 8 HA GLN 8 58.567 46.736 8.906 66 1HB GLN 8 2HB GLN 8 59.107 48.893 9.933 67 2HB GLN 8 1HB GLN 8 58.128 49.750 8.731 68 1HG GLN 8 1HG GLN 8 56.109 48.590 9.522 69 2HG GLN 8 2HG GLN 8 57.083 47.703 10.717 70 1HE2 GLN 8 2HE2 GLN 8 58.428 49.166 12.229 71 2HE2 GLN 8 1HE2 GLN 8 57.634 50.609 12.821 72 H PHE 9 H PHE 9 57.733 49.145 6.389 73 HA PHE 9 HA PHE 9 55.015 48.299 6.063 74 1HB PHE 9 2HB PHE 9 56.868 49.713 4.113 75 2HB PHE 9 1HB PHE 9 55.109 49.623 3.995 76 HD1 PHE 9 HD1 PHE 9 56.377 52.180 3.776 77 HD2 PHE 9 HD2 PHE 9 55.198 50.068 7.348 78 HE1 PHE 9 HE1 PHE 9 56.101 54.332 4.973 79 HE2 PHE 9 HE2 PHE 9 54.977 52.209 8.538 80 HZ PHE 9 HZ PHE 9 55.408 54.350 7.357 81 H ALA 10 H ALA 10 58.030 47.485 4.281 82 HA ALA 10 HA ALA 10 56.815 45.653 2.455 83 1HB ALA 10 1HB ALA 10 59.085 46.576 2.160 84 2HB ALA 10 2HB ALA 10 59.634 45.713 3.615 85 3HB ALA 10 3HB ALA 10 59.113 44.799 2.181 86 H LYS 11 H LYS 11 58.127 45.323 5.788 87 HA LYS 11 HA LYS 11 57.424 42.496 5.955 88 1HB LYS 11 1HB LYS 11 59.385 43.682 7.046 89 2HB LYS 11 2HB LYS 11 58.225 44.460 8.136 90 1HG LYS 11 2HG LYS 11 57.491 42.178 8.893 91 2HG LYS 11 1HG LYS 11 58.705 41.452 7.825 92 1HD LYS 11 2HD LYS 11 59.342 43.486 10.004 93 2HD LYS 11 1HD LYS 11 59.365 41.728 10.257 94 1HE LYS 11 1HE LYS 11 61.070 41.505 8.453 95 2HE LYS 11 2HE LYS 11 61.117 43.274 8.300 96 1HZ LYS 11 1HZ LYS 11 61.765 41.752 10.716 97 2HZ LYS 11 2HZ LYS 11 62.847 42.467 9.698 98 3HZ LYS 11 3HZ LYS 11 61.801 43.394 10.573 99 H GLY 12 H GLY 12 55.299 44.095 5.082 100 1HA GLY 12 1HA GLY 12 53.262 43.300 6.926 101 2HA GLY 12 2HA GLY 12 53.403 45.086 6.829 102 H VAL 13 H VAL 13 54.209 45.210 4.071 103 HA VAL 13 HA VAL 13 52.044 43.889 2.551 104 HB VAL 13 HB VAL 13 54.360 45.656 1.641 105 1HG1 VAL 13 1HG2 VAL 13 53.380 44.330 -0.213 106 2HG1 VAL 13 2HG2 VAL 13 51.755 44.866 0.268 107 3HG1 VAL 13 3HG2 VAL 13 52.936 46.034 -0.370 108 1HG2 VAL 13 1HG1 VAL 13 52.904 46.973 3.137 109 2HG2 VAL 13 2HG1 VAL 13 52.664 47.484 1.461 110 3HG2 VAL 13 3HG1 VAL 13 51.469 46.427 2.242 111 H GLY 14 H GLY 14 53.558 42.335 4.092 112 1HA GLY 14 1HA GLY 14 54.835 40.518 2.151 113 2HA GLY 14 2HA GLY 14 55.749 40.980 3.606 114 H LYS 15 H LYS 15 53.347 41.351 5.238 115 HA LYS 15 HA LYS 15 52.710 38.581 5.987 116 1HB LYS 15 1HB LYS 15 51.780 41.270 7.047 117 2HB LYS 15 2HB LYS 15 51.413 39.683 7.761 118 1HG LYS 15 1HG LYS 15 53.810 39.284 8.169 119 2HG LYS 15 2HG LYS 15 54.221 40.839 7.410 120 1HD LYS 15 2HD LYS 15 52.903 42.039 9.108 121 2HD LYS 15 1HD LYS 15 52.481 40.496 9.888 122 1HE LYS 15 2HE LYS 15 54.884 40.053 10.308 123 2HE LYS 15 1HE LYS 15 55.304 41.593 9.527 124 1HZ LYS 15 1HZ LYS 15 53.661 41.289 11.938 125 2HZ LYS 15 2HZ LYS 15 55.232 41.788 11.894 126 3HZ LYS 15 3HZ LYS 15 54.052 42.718 11.213 127 H ASP 16 H ASP 16 51.228 41.516 4.600 128 HA ASP 16 HA ASP 16 48.605 40.437 4.132 129 1HB ASP 16 2HB ASP 16 50.210 42.756 3.009 130 2HB ASP 16 1HB ASP 16 48.571 42.404 2.468 131 HD2 ASP 16 HD2 ASP 16 47.161 43.120 5.713 132 H LEU 17 H LEU 17 51.674 39.820 2.678 133 HA LEU 17 HA LEU 17 50.497 38.949 0.090 134 1HB LEU 17 2HB LEU 17 53.355 39.092 1.131 135 2HB LEU 17 1HB LEU 17 52.881 38.400 -0.417 136 HG LEU 17 HG LEU 17 52.532 41.308 0.462 137 1HD1 LEU 17 1HD1 LEU 17 54.280 40.034 -1.688 138 2HD1 LEU 17 2HD1 LEU 17 54.858 40.624 -0.116 139 3HD1 LEU 17 3HD1 LEU 17 54.190 41.766 -1.300 140 1HD2 LEU 17 1HD2 LEU 17 50.672 40.763 -1.020 141 2HD2 LEU 17 2HD2 LEU 17 51.770 39.933 -2.152 142 3HD2 LEU 17 3HD2 LEU 17 51.867 41.693 -1.931 143 H VAL 18 H VAL 18 52.153 37.844 3.064 144 HA VAL 18 HA VAL 18 51.990 35.056 2.366 145 HB VAL 18 HB VAL 18 52.412 36.613 4.938 146 1HG1 VAL 18 1HG1 VAL 18 52.275 33.597 4.591 147 2HG1 VAL 18 2HG1 VAL 18 51.219 34.605 5.616 148 3HG1 VAL 18 3HG1 VAL 18 52.938 34.437 6.015 149 1HG2 VAL 18 1HG2 VAL 18 54.662 35.634 4.780 150 2HG2 VAL 18 2HG2 VAL 18 54.275 36.464 3.259 151 3HG2 VAL 18 3HG2 VAL 18 54.179 34.694 3.351 152 H LYS 19 H LYS 19 49.869 37.495 3.782 153 HA LYS 19 HA LYS 19 47.802 35.685 4.701 154 1HB LYS 19 2HB LYS 19 48.129 37.971 5.548 155 2HB LYS 19 1HB LYS 19 47.710 38.641 3.964 156 1HG LYS 19 1HG LYS 19 45.808 36.834 5.507 157 2HG LYS 19 2HG LYS 19 45.906 38.579 5.805 158 1HD LYS 19 1HD LYS 19 45.374 39.056 3.445 159 2HD LYS 19 2HD LYS 19 45.270 37.319 3.111 160 1HE LYS 19 2HE LYS 19 43.036 38.167 3.407 161 2HE LYS 19 1HE LYS 19 43.427 37.133 4.793 162 1HZ LYS 19 1HZ LYS 19 42.354 39.162 5.441 163 2HZ LYS 19 2HZ LYS 19 43.541 40.069 4.744 164 3HZ LYS 19 3HZ LYS 19 43.887 39.117 6.045 165 H GLY 20 H GLY 20 48.659 37.320 1.688 166 1HA GLY 20 1HA GLY 20 46.204 36.792 0.257 167 2HA GLY 20 2HA GLY 20 47.776 37.270 -0.423 168 H ALA 21 H ALA 21 49.478 35.319 0.420 169 HA ALA 21 HA ALA 21 48.885 33.066 -1.243 170 1HB ALA 21 1HB ALA 21 50.993 32.180 -0.352 171 2HB ALA 21 2HB ALA 21 51.171 33.891 -0.792 172 3HB ALA 21 3HB ALA 21 50.999 33.425 0.916 173 H ALA 22 H ALA 22 48.367 33.792 2.180 174 HA ALA 22 HA ALA 22 48.114 31.107 3.106 175 1HB ALA 22 1HB ALA 22 46.729 33.597 4.165 176 2HB ALA 22 2HB ALA 22 46.939 32.058 5.018 177 3HB ALA 22 3HB ALA 22 48.359 33.043 4.617 178 H GLN 23 H GLN 23 45.849 33.286 1.453 179 HA GLN 23 HA GLN 23 43.448 31.876 1.884 180 1HB GLN 23 1HB GLN 23 43.743 34.176 0.925 181 2HB GLN 23 2HB GLN 23 44.306 33.441 -0.586 182 1HG GLN 23 2HG GLN 23 42.158 32.230 -0.803 183 2HG GLN 23 1HG GLN 23 41.596 32.950 0.718 184 1HE2 GLN 23 1HE2 GLN 23 41.726 35.456 0.768 185 2HE2 GLN 23 2HE2 GLN 23 41.197 36.278 -0.684 186 H GLY 24 H GLY 24 45.940 31.597 -0.703 187 1HA GLY 24 1HA GLY 24 45.521 28.799 -1.114 188 2HA GLY 24 2HA GLY 24 44.672 29.744 -2.361 189 H VAL 25 H VAL 25 47.746 28.660 -1.163 190 HA VAL 25 HA VAL 25 49.439 30.634 -2.134 191 HB VAL 25 HB VAL 25 49.975 27.633 -1.896 192 1HG1 VAL 25 1HG2 VAL 25 52.341 28.327 -1.604 193 2HG1 VAL 25 2HG2 VAL 25 51.732 28.761 -3.210 194 3HG1 VAL 25 3HG2 VAL 25 51.885 30.009 -1.953 195 1HG2 VAL 25 1HG1 VAL 25 50.401 29.886 0.105 196 2HG2 VAL 25 2HG1 VAL 25 49.164 28.612 0.225 197 3HG2 VAL 25 3HG1 VAL 25 50.881 28.190 0.319 198 H LEU 26 H LEU 26 48.732 27.469 -3.683 199 HA LEU 26 HA LEU 26 49.976 27.938 -6.158 200 1HB LEU 26 1HB LEU 26 47.497 26.296 -5.544 201 2HB LEU 26 2HB LEU 26 48.514 26.135 -6.983 202 HG LEU 26 HG LEU 26 49.411 25.607 -4.110 203 1HD1 LEU 26 1HD2 LEU 26 47.811 23.941 -4.977 204 2HD1 LEU 26 2HD2 LEU 26 49.440 23.252 -4.821 205 3HD1 LEU 26 3HD2 LEU 26 48.821 23.716 -6.423 206 1HD2 LEU 26 1HD1 LEU 26 51.417 24.610 -5.216 207 2HD2 LEU 26 2HD1 LEU 26 50.849 25.241 -6.777 208 3HD2 LEU 26 3HD1 LEU 26 51.313 26.358 -5.472 209 H SER 27 H SER 27 46.686 28.767 -5.030 210 HA SER 27 HA SER 27 45.692 29.675 -7.540 211 1HB SER 27 1HB SER 27 44.247 29.121 -5.632 212 2HB SER 27 2HB SER 27 44.915 30.486 -4.710 213 HG SER 27 HG SER 27 42.961 31.011 -5.776 214 H THR 28 H THR 28 47.151 31.463 -4.755 215 HA THR 28 HA THR 28 47.073 34.018 -5.968 216 HB THR 28 HB THR 28 49.025 32.961 -3.893 217 HG1 THR 28 HG1 THR 28 46.824 32.741 -3.321 218 1HG2 THR 28 1HG2 THR 28 49.735 35.119 -4.886 219 2HG2 THR 28 2HG2 THR 28 49.142 35.362 -3.233 220 3HG2 THR 28 3HG2 THR 28 48.112 35.787 -4.617 221 H VAL 29 H VAL 29 49.699 31.564 -5.824 222 HA VAL 29 HA VAL 29 51.598 32.935 -7.425 223 HB VAL 29 HB VAL 29 51.092 29.989 -6.907 224 1HG1 VAL 29 1HG2 VAL 29 53.450 31.339 -8.291 225 2HG1 VAL 29 2HG2 VAL 29 53.429 29.656 -7.720 226 3HG1 VAL 29 3HG2 VAL 29 52.332 30.158 -9.016 227 1HG2 VAL 29 1HG1 VAL 29 51.766 31.407 -4.947 228 2HG2 VAL 29 2HG1 VAL 29 53.188 31.947 -5.859 229 3HG2 VAL 29 3HG1 VAL 29 53.023 30.239 -5.398 230 H SER 30 H SER 30 48.746 30.971 -8.290 231 HA SER 30 HA SER 30 49.421 30.859 -11.095 232 1HB SER 30 2HB SER 30 47.921 29.225 -9.935 233 2HB SER 30 1HB SER 30 46.718 30.504 -9.717 234 HG SER 30 HG SER 30 47.760 29.592 -12.195 235 H CYS 31 H CYS 31 46.828 32.611 -9.343 236 HA CYS 31 HA CYS 31 46.403 34.451 -11.558 237 1HB CYS 31 1HB CYS 31 44.725 35.394 -10.205 238 2HB CYS 31 2HB CYS 31 44.632 33.649 -9.973 239 H LYS 32 H LYS 32 49.166 34.320 -10.098 240 HA LYS 32 HA LYS 32 49.384 37.030 -8.979 241 1HB LYS 32 1HB LYS 32 50.428 35.079 -7.931 242 2HB LYS 32 2HB LYS 32 51.441 34.834 -9.384 243 1HG LYS 32 2HG LYS 32 52.365 37.069 -9.156 244 2HG LYS 32 1HG LYS 32 51.274 37.396 -7.789 245 1HD LYS 32 2HD LYS 32 53.503 35.320 -7.806 246 2HD LYS 32 1HD LYS 32 53.559 36.962 -7.122 247 1HE LYS 32 2HE LYS 32 51.726 36.403 -5.563 248 2HE LYS 32 1HE LYS 32 51.700 34.742 -6.187 249 1HZ LYS 32 1HZ LYS 32 53.976 36.035 -4.878 250 2HZ LYS 32 2HZ LYS 32 53.948 34.494 -5.465 251 3HZ LYS 32 3HZ LYS 32 52.973 34.914 -4.203 252 H LEU 33 H LEU 33 50.272 35.212 -11.920 253 HA LEU 33 HA LEU 33 52.055 37.087 -13.073 254 1HB LEU 33 1HB LEU 33 51.764 34.804 -13.925 255 2HB LEU 33 2HB LEU 33 50.074 35.144 -14.332 256 HG LEU 33 HG LEU 33 50.810 36.839 -15.996 257 1HD1 LEU 33 1HD1 LEU 33 52.963 37.531 -15.026 258 2HD1 LEU 33 2HD1 LEU 33 53.610 35.887 -15.238 259 3HD1 LEU 33 3HD1 LEU 33 53.218 36.885 -16.655 260 1HD2 LEU 33 1HD2 LEU 33 50.420 34.495 -16.659 261 2HD2 LEU 33 2HD2 LEU 33 52.120 34.107 -16.309 262 3HD2 LEU 33 3HD2 LEU 33 51.715 35.231 -17.626 263 H ALA 34 H ALA 34 48.530 36.590 -13.509 264 HA ALA 34 HA ALA 34 48.097 39.431 -14.220 265 1HB ALA 34 1HB ALA 34 46.669 37.730 -15.273 266 2HB ALA 34 2HB ALA 34 45.715 38.763 -14.187 267 3HB ALA 34 3HB ALA 34 46.179 37.122 -13.676 268 H LYS 35 H LYS 35 49.254 40.109 -12.311 269 HA LYS 35 HA LYS 35 48.788 39.310 -9.682 270 1HB LYS 35 2HB LYS 35 50.760 40.491 -10.701 271 2HB LYS 35 1HB LYS 35 49.827 41.989 -10.673 272 1HG LYS 35 2HG LYS 35 51.386 41.888 -8.822 273 2HG LYS 35 1HG LYS 35 49.751 41.856 -8.174 274 1HD LYS 35 2HD LYS 35 49.965 39.322 -7.968 275 2HD LYS 35 1HD LYS 35 51.647 39.505 -8.523 276 1HE LYS 35 2HE LYS 35 52.120 41.011 -6.619 277 2HE LYS 35 1HE LYS 35 50.438 40.859 -6.071 278 1HZ LYS 35 1HZ LYS 35 51.889 39.414 -4.877 279 2HZ LYS 35 2HZ LYS 35 50.816 38.528 -5.762 280 3HZ LYS 35 3HZ LYS 35 52.380 38.672 -6.264 281 H THR 36 H THR 36 46.299 40.193 -11.222 282 HA THR 36 HA THR 36 45.232 42.258 -9.396 283 HB THR 36 HB THR 36 44.520 42.173 -11.755 284 HG1 THR 36 HG1 THR 36 42.308 42.331 -11.260 285 1HG2 THR 36 1HG2 THR 36 43.172 39.541 -10.993 286 2HG2 THR 36 2HG2 THR 36 42.945 40.440 -12.505 287 3HG2 THR 36 3HG2 THR 36 44.524 39.729 -12.132 288 H CYS 37 H CYS 37 46.367 39.420 -8.557 289 HA CYS 37 HA CYS 37 44.335 38.839 -6.575 290 1HB CYS 37 2HB CYS 37 43.085 37.982 -8.359 291 2HB CYS 37 1HB CYS 37 44.502 37.328 -9.170 292 HXT CYS 37 HO OH 38 48.006 37.254 -6.997 Start of MODEL 11 1 1H GLY 1 1H GLY 1 65.967 56.066 10.727 2 2H GLY 1 2H GLY 1 66.566 57.022 9.524 3 3H GLY 1 3H GLY 1 67.596 56.169 10.490 4 1HA GLY 1 2HA GLY 1 67.427 55.126 8.361 5 2HA GLY 1 1HA GLY 1 66.785 54.101 9.658 6 H ILE 2 H ILE 2 65.695 56.688 7.404 7 HA ILE 2 HA ILE 2 62.964 56.064 7.429 8 HB ILE 2 HB ILE 2 64.367 58.071 6.533 9 1HG1 ILE 2 2HG1 ILE 2 62.013 58.184 6.716 10 2HG1 ILE 2 1HG1 ILE 2 62.534 58.878 5.177 11 1HG2 ILE 2 1HG2 ILE 2 64.066 56.511 3.937 12 2HG2 ILE 2 2HG2 ILE 2 64.613 58.187 4.119 13 3HG2 ILE 2 3HG2 ILE 2 65.585 56.867 4.791 14 1HD1 ILE 2 1HD1 ILE 2 61.149 56.211 5.620 15 2HD1 ILE 2 2HD1 ILE 2 60.532 57.634 4.777 16 3HD1 ILE 2 3HD1 ILE 2 61.856 56.702 4.055 17 H LEU 3 H LEU 3 65.682 54.674 5.611 18 HA LEU 3 HA LEU 3 64.132 53.169 3.738 19 1HB LEU 3 2HB LEU 3 66.947 52.789 4.837 20 2HB LEU 3 1HB LEU 3 66.287 51.972 3.418 21 HG LEU 3 HG LEU 3 66.686 54.986 3.706 22 1HD1 LEU 3 1HD2 LEU 3 68.794 53.716 3.539 23 2HD1 LEU 3 2HD2 LEU 3 68.489 54.656 2.063 24 3HD1 LEU 3 3HD2 LEU 3 68.193 52.902 2.076 25 1HD2 LEU 3 1HD1 LEU 3 65.767 53.291 1.340 26 2HD2 LEU 3 2HD1 LEU 3 66.229 55.005 1.246 27 3HD2 LEU 3 3HD1 LEU 3 64.810 54.529 2.189 28 H ASP 4 H ASP 4 64.856 52.672 7.120 29 HA ASP 4 HA ASP 4 64.254 49.781 6.974 30 1HB ASP 4 1HB ASP 4 66.201 50.566 8.333 31 2HB ASP 4 2HB ASP 4 65.100 51.565 9.295 32 HD2 ASP 4 HD2 ASP 4 65.433 50.535 11.152 33 H THR 5 H THR 5 62.959 52.968 7.538 34 HA THR 5 HA THR 5 60.945 52.148 9.368 35 HB THR 5 HB THR 5 61.106 54.650 7.638 36 HG1 THR 5 HG1 THR 5 61.907 55.522 9.591 37 1HG2 THR 5 1HG2 THR 5 59.579 55.620 9.338 38 2HG2 THR 5 2HG2 THR 5 58.814 54.299 8.437 39 3HG2 THR 5 3HG2 THR 5 59.414 54.018 10.090 40 H LEU 6 H LEU 6 60.935 52.954 5.853 41 HA LEU 6 HA LEU 6 58.235 52.107 5.396 42 1HB LEU 6 2HB LEU 6 58.814 52.227 3.046 43 2HB LEU 6 1HB LEU 6 59.421 53.627 3.935 44 HG LEU 6 HG LEU 6 61.661 52.133 4.040 45 1HD1 LEU 6 1HD2 LEU 6 60.324 51.310 1.417 46 2HD1 LEU 6 2HD2 LEU 6 60.646 50.203 2.764 47 3HD1 LEU 6 3HD2 LEU 6 61.996 50.958 1.900 48 1HD2 LEU 6 1HD1 LEU 6 60.714 53.757 1.646 49 2HD2 LEU 6 2HD1 LEU 6 61.474 54.398 3.121 50 3HD2 LEU 6 3HD1 LEU 6 62.405 53.361 2.021 51 H LYS 7 H LYS 7 61.374 50.447 5.493 52 HA LYS 7 HA LYS 7 60.627 47.993 4.360 53 1HB LYS 7 2HB LYS 7 62.946 48.848 4.899 54 2HB LYS 7 1HB LYS 7 62.611 48.507 6.605 55 1HG LYS 7 2HG LYS 7 63.856 46.674 5.685 56 2HG LYS 7 1HG LYS 7 62.201 46.104 5.992 57 1HD LYS 7 1HD LYS 7 61.646 46.506 3.596 58 2HD LYS 7 2HD LYS 7 63.312 47.045 3.307 59 1HE LYS 7 2HE LYS 7 62.492 44.272 4.292 60 2HE LYS 7 1HE LYS 7 62.920 44.679 2.619 61 1HZ LYS 7 1HZ LYS 7 64.758 43.741 3.776 62 2HZ LYS 7 2HZ LYS 7 65.086 45.309 3.386 63 3HZ LYS 7 3HZ LYS 7 64.699 44.909 4.938 64 H GLN 8 H GLN 8 60.507 49.186 7.737 65 HA GLN 8 HA GLN 8 59.733 46.913 9.111 66 1HB GLN 8 2HB GLN 8 60.335 49.145 10.058 67 2HB GLN 8 1HB GLN 8 58.757 49.768 9.542 68 1HG GLN 8 1HG GLN 8 57.633 48.072 10.947 69 2HG GLN 8 2HG GLN 8 59.224 47.494 11.494 70 1HE2 GLN 8 2HE2 GLN 8 60.693 49.308 12.417 71 2HE2 GLN 8 1HE2 GLN 8 59.912 50.465 13.472 72 H PHE 9 H PHE 9 57.631 49.369 7.561 73 HA PHE 9 HA PHE 9 55.208 47.892 8.146 74 1HB PHE 9 2HB PHE 9 55.682 50.314 6.383 75 2HB PHE 9 1HB PHE 9 54.118 49.740 6.976 76 HD1 PHE 9 HD1 PHE 9 54.197 49.308 9.712 77 HD2 PHE 9 HD2 PHE 9 56.504 52.194 7.498 78 HE1 PHE 9 HE1 PHE 9 54.543 50.624 11.782 79 HE2 PHE 9 HE2 PHE 9 56.830 53.514 9.571 80 HZ PHE 9 HZ PHE 9 55.866 52.724 11.716 81 H ALA 10 H ALA 10 57.382 48.191 5.349 82 HA ALA 10 HA ALA 10 55.631 47.198 3.354 83 1HB ALA 10 1HB ALA 10 58.647 46.889 3.612 84 2HB ALA 10 2HB ALA 10 57.796 48.265 2.872 85 3HB ALA 10 3HB ALA 10 57.693 46.654 2.133 86 H LYS 11 H LYS 11 57.757 45.532 5.706 87 HA LYS 11 HA LYS 11 57.228 42.856 4.804 88 1HB LYS 11 1HB LYS 11 58.065 43.996 7.494 89 2HB LYS 11 2HB LYS 11 58.052 42.265 7.096 90 1HG LYS 11 2HG LYS 11 59.636 42.639 5.254 91 2HG LYS 11 1HG LYS 11 59.690 44.372 5.612 92 1HD LYS 11 1HD LYS 11 60.535 42.155 7.529 93 2HD LYS 11 2HD LYS 11 61.627 43.133 6.528 94 1HE LYS 11 2HE LYS 11 60.755 45.195 7.665 95 2HE LYS 11 1HE LYS 11 59.829 44.153 8.766 96 1HZ LYS 11 1HZ LYS 11 61.907 44.792 9.699 97 2HZ LYS 11 2HZ LYS 11 61.876 43.162 9.454 98 3HZ LYS 11 3HZ LYS 11 62.738 44.132 8.437 99 H GLY 12 H GLY 12 55.478 45.148 6.872 100 1HA GLY 12 1HA GLY 12 53.596 43.135 7.812 101 2HA GLY 12 2HA GLY 12 53.475 44.904 8.035 102 H VAL 13 H VAL 13 53.835 45.376 5.089 103 HA VAL 13 HA VAL 13 51.286 44.272 4.060 104 HB VAL 13 HB VAL 13 53.232 46.144 2.667 105 1HG1 VAL 13 1HG1 VAL 13 51.529 45.091 1.166 106 2HG1 VAL 13 2HG1 VAL 13 51.190 46.811 1.382 107 3HG1 VAL 13 3HG1 VAL 13 50.245 45.604 2.277 108 1HG2 VAL 13 1HG2 VAL 13 52.520 47.265 4.738 109 2HG2 VAL 13 2HG2 VAL 13 51.696 47.997 3.355 110 3HG2 VAL 13 3HG2 VAL 13 50.823 46.855 4.398 111 H GLY 14 H GLY 14 53.390 42.608 4.852 112 1HA GLY 14 2HA GLY 14 53.869 41.137 2.306 113 2HA GLY 14 1HA GLY 14 55.088 41.202 3.592 114 H LYS 15 H LYS 15 53.195 41.323 5.783 115 HA LYS 15 HA LYS 15 52.470 38.524 6.111 116 1HB LYS 15 2HB LYS 15 51.805 40.949 7.814 117 2HB LYS 15 1HB LYS 15 51.662 39.239 8.270 118 1HG LYS 15 2HG LYS 15 54.223 40.801 7.717 119 2HG LYS 15 1HG LYS 15 53.684 40.098 9.253 120 1HD LYS 15 2HD LYS 15 53.777 37.827 8.148 121 2HD LYS 15 1HD LYS 15 54.516 38.599 6.730 122 1HE LYS 15 2HE LYS 15 56.365 39.444 8.145 123 2HE LYS 15 1HE LYS 15 55.637 38.665 9.565 124 1HZ LYS 15 1HZ LYS 15 55.914 36.564 8.477 125 2HZ LYS 15 2HZ LYS 15 56.592 37.286 7.158 126 3HZ LYS 15 3HZ LYS 15 57.363 37.339 8.615 127 H ASP 16 H ASP 16 50.809 41.675 5.696 128 HA ASP 16 HA ASP 16 48.142 40.633 5.536 129 1HB ASP 16 1HB ASP 16 48.784 43.016 6.013 130 2HB ASP 16 2HB ASP 16 49.329 43.163 4.335 131 HD2 ASP 16 HD2 ASP 16 46.547 42.123 6.188 132 H LEU 17 H LEU 17 50.866 40.528 3.423 133 HA LEU 17 HA LEU 17 49.334 40.277 0.938 134 1HB LEU 17 2HB LEU 17 51.736 41.404 1.540 135 2HB LEU 17 1HB LEU 17 52.290 39.775 1.102 136 HG LEU 17 HG LEU 17 50.530 41.638 -0.531 137 1HD1 LEU 17 1HD1 LEU 17 53.455 40.851 -0.893 138 2HD1 LEU 17 2HD1 LEU 17 52.860 42.430 -0.332 139 3HD1 LEU 17 3HD1 LEU 17 52.523 41.894 -1.991 140 1HD2 LEU 17 1HD2 LEU 17 51.004 40.040 -2.423 141 2HD2 LEU 17 2HD2 LEU 17 50.030 39.316 -1.136 142 3HD2 LEU 17 3HD2 LEU 17 51.766 38.939 -1.255 143 H VAL 18 H VAL 18 51.457 38.497 3.215 144 HA VAL 18 HA VAL 18 51.147 35.919 1.954 145 HB VAL 18 HB VAL 18 52.007 36.914 4.678 146 1HG1 VAL 18 1HG1 VAL 18 50.816 34.857 5.176 147 2HG1 VAL 18 2HG1 VAL 18 52.562 34.565 5.255 148 3HG1 VAL 18 3HG1 VAL 18 51.639 34.021 3.832 149 1HG2 VAL 18 1HG2 VAL 18 53.580 37.014 2.713 150 2HG2 VAL 18 2HG2 VAL 18 53.399 35.259 2.524 151 3HG2 VAL 18 3HG2 VAL 18 54.145 35.922 3.994 152 H LYS 19 H LYS 19 49.293 37.924 4.216 153 HA LYS 19 HA LYS 19 47.380 35.867 4.925 154 1HB LYS 19 1HB LYS 19 47.834 37.901 6.315 155 2HB LYS 19 2HB LYS 19 47.193 38.899 5.010 156 1HG LYS 19 1HG LYS 19 45.537 38.582 6.780 157 2HG LYS 19 2HG LYS 19 44.984 37.931 5.237 158 1HD LYS 19 2HD LYS 19 44.351 36.489 7.062 159 2HD LYS 19 1HD LYS 19 45.473 35.623 6.014 160 1HE LYS 19 1HE LYS 19 46.420 37.086 8.514 161 2HE LYS 19 2HE LYS 19 45.728 35.456 8.596 162 1HZ LYS 19 1HZ LYS 19 48.083 36.182 7.018 163 2HZ LYS 19 2HZ LYS 19 48.071 35.360 8.444 164 3HZ LYS 19 3HZ LYS 19 47.388 34.691 7.102 165 H GLY 20 H GLY 20 47.793 38.239 2.357 166 1HA GLY 20 1HA GLY 20 45.140 38.030 1.222 167 2HA GLY 20 2HA GLY 20 46.591 38.729 0.471 168 H ALA 21 H ALA 21 48.389 36.636 0.541 169 HA ALA 21 HA ALA 21 47.521 34.899 -1.569 170 1HB ALA 21 1HB ALA 21 49.865 35.614 -1.260 171 2HB ALA 21 2HB ALA 21 49.714 33.843 -1.248 172 3HB ALA 21 3HB ALA 21 49.932 34.725 0.280 173 H ALA 22 H ALA 22 47.503 34.703 1.962 174 HA ALA 22 HA ALA 22 47.343 31.870 2.206 175 1HB ALA 22 1HB ALA 22 46.449 32.289 4.434 176 2HB ALA 22 2HB ALA 22 47.812 33.376 4.103 177 3HB ALA 22 3HB ALA 22 46.141 33.987 4.025 178 H GLN 23 H GLN 23 44.884 34.350 1.520 179 HA GLN 23 HA GLN 23 42.567 32.797 1.906 180 1HB GLN 23 2HB GLN 23 42.669 35.261 1.674 181 2HB GLN 23 1HB GLN 23 43.117 35.078 -0.031 182 1HG GLN 23 2HG GLN 23 40.736 35.583 0.221 183 2HG GLN 23 1HG GLN 23 40.976 33.995 -0.518 184 1HE2 GLN 23 1HE2 GLN 23 40.585 35.509 2.746 185 2HE2 GLN 23 2HE2 GLN 23 39.552 34.254 3.395 186 H GLY 24 H GLY 24 44.928 32.883 -0.758 187 1HA GLY 24 2HA GLY 24 43.727 30.543 -1.995 188 2HA GLY 24 1HA GLY 24 43.565 32.034 -2.953 189 H VAL 25 H VAL 25 45.841 29.773 -1.437 190 HA VAL 25 HA VAL 25 48.183 31.233 -2.139 191 HB VAL 25 HB VAL 25 47.821 28.295 -1.393 192 1HG1 VAL 25 1HG2 VAL 25 50.210 28.429 -0.723 193 2HG1 VAL 25 2HG2 VAL 25 50.301 30.072 -1.394 194 3HG1 VAL 25 3HG2 VAL 25 50.011 28.682 -2.465 195 1HG2 VAL 25 1HG1 VAL 25 46.980 29.840 0.341 196 2HG2 VAL 25 2HG1 VAL 25 48.523 30.729 0.295 197 3HG2 VAL 25 3HG1 VAL 25 48.477 29.044 0.860 198 H LEU 26 H LEU 26 46.932 28.097 -3.369 199 HA LEU 26 HA LEU 26 48.734 27.733 -5.459 200 1HB LEU 26 2HB LEU 26 45.812 26.902 -5.311 201 2HB LEU 26 1HB LEU 26 47.042 26.189 -6.365 202 HG LEU 26 HG LEU 26 47.061 26.114 -3.312 203 1HD1 LEU 26 1HD1 LEU 26 45.312 24.712 -4.342 204 2HD1 LEU 26 2HD1 LEU 26 46.532 23.951 -5.388 205 3HD1 LEU 26 3HD1 LEU 26 46.598 23.720 -3.626 206 1HD2 LEU 26 1HD2 LEU 26 49.363 26.094 -4.167 207 2HD2 LEU 26 2HD2 LEU 26 48.928 24.859 -5.373 208 3HD2 LEU 26 3HD2 LEU 26 48.910 24.467 -3.640 209 H SER 27 H SER 27 45.700 29.629 -5.431 210 HA SER 27 HA SER 27 45.641 30.076 -8.257 211 1HB SER 27 1HB SER 27 44.006 31.825 -7.697 212 2HB SER 27 2HB SER 27 43.660 30.297 -6.865 213 HG SER 27 HG SER 27 44.950 32.571 -5.764 214 H THR 28 H THR 28 46.885 32.049 -5.498 215 HA THR 28 HA THR 28 47.793 34.248 -7.014 216 HB THR 28 HB THR 28 48.828 33.065 -4.409 217 HG1 THR 28 HG1 THR 28 47.036 35.171 -5.047 218 1HG2 THR 28 1HG2 THR 28 49.337 35.787 -5.687 219 2HG2 THR 28 2HG2 THR 28 50.553 34.528 -5.372 220 3HG2 THR 28 3HG2 THR 28 49.753 35.343 -4.017 221 H VAL 29 H VAL 29 49.491 31.223 -6.059 222 HA VAL 29 HA VAL 29 51.995 31.749 -7.201 223 HB VAL 29 HB VAL 29 50.424 29.184 -6.779 224 1HG1 VAL 29 1HG1 VAL 29 52.090 28.728 -8.501 225 2HG1 VAL 29 2HG1 VAL 29 53.343 29.561 -7.545 226 3HG1 VAL 29 3HG1 VAL 29 52.627 28.040 -6.959 227 1HG2 VAL 29 1HG2 VAL 29 52.742 30.462 -5.261 228 2HG2 VAL 29 2HG2 VAL 29 51.919 28.946 -4.837 229 3HG2 VAL 29 3HG2 VAL 29 51.048 30.487 -4.735 230 H SER 30 H SER 30 48.919 30.795 -8.725 231 HA SER 30 HA SER 30 50.246 30.325 -11.298 232 1HB SER 30 2HB SER 30 47.310 30.219 -10.472 233 2HB SER 30 1HB SER 30 47.983 29.680 -12.024 234 HG SER 30 HG SER 30 47.724 27.968 -10.519 235 H CYS 31 H CYS 31 47.832 32.599 -9.911 236 HA CYS 31 HA CYS 31 47.463 34.207 -12.201 237 1HB CYS 31 1HB CYS 31 47.537 34.994 -9.265 238 2HB CYS 31 2HB CYS 31 46.895 35.968 -10.588 239 H LYS 32 H LYS 32 50.331 33.792 -10.258 240 HA LYS 32 HA LYS 32 50.901 36.573 -10.047 241 1HB LYS 32 1HB LYS 32 52.747 36.000 -8.762 242 2HB LYS 32 2HB LYS 32 51.466 34.840 -8.400 243 1HG LYS 32 1HG LYS 32 53.043 33.277 -8.714 244 2HG LYS 32 2HG LYS 32 52.775 33.542 -10.445 245 1HD LYS 32 2HD LYS 32 55.127 33.687 -10.132 246 2HD LYS 32 1HD LYS 32 54.571 35.373 -10.276 247 1HE LYS 32 1HE LYS 32 54.716 35.671 -7.855 248 2HE LYS 32 2HE LYS 32 54.994 33.938 -7.614 249 1HZ LYS 32 1HZ LYS 32 57.006 35.189 -7.474 250 2HZ LYS 32 2HZ LYS 32 57.064 34.171 -8.770 251 3HZ LYS 32 3HZ LYS 32 56.805 35.784 -8.999 252 H LEU 33 H LEU 33 50.773 35.475 -12.877 253 HA LEU 33 HA LEU 33 53.336 35.776 -14.084 254 1HB LEU 33 1HB LEU 33 51.398 34.817 -15.246 255 2HB LEU 33 2HB LEU 33 50.523 36.350 -15.102 256 HG LEU 33 HG LEU 33 52.218 37.459 -16.543 257 1HD1 LEU 33 1HD2 LEU 33 53.815 36.021 -17.815 258 2HD1 LEU 33 2HD2 LEU 33 53.378 34.645 -16.779 259 3HD1 LEU 33 3HD2 LEU 33 54.195 36.066 -16.086 260 1HD2 LEU 33 1HD1 LEU 33 50.176 36.472 -17.513 261 2HD2 LEU 33 2HD1 LEU 33 51.546 36.352 -18.637 262 3HD2 LEU 33 3HD1 LEU 33 51.019 34.920 -17.723 263 H ALA 34 H ALA 34 50.654 38.065 -13.433 264 HA ALA 34 HA ALA 34 52.621 40.233 -13.046 265 1HB ALA 34 1HB ALA 34 51.254 41.804 -14.365 266 2HB ALA 34 2HB ALA 34 50.161 40.479 -14.830 267 3HB ALA 34 3HB ALA 34 51.850 40.478 -15.385 268 H LYS 35 H LYS 35 51.485 38.699 -11.102 269 HA LYS 35 HA LYS 35 50.092 38.541 -9.367 270 1HB LYS 35 1HB LYS 35 51.623 40.536 -8.935 271 2HB LYS 35 2HB LYS 35 50.232 41.556 -9.341 272 1HG LYS 35 2HG LYS 35 50.357 41.306 -6.950 273 2HG LYS 35 1HG LYS 35 48.937 40.397 -7.510 274 1HD LYS 35 1HD LYS 35 50.181 38.283 -7.311 275 2HD LYS 35 2HD LYS 35 51.675 39.171 -6.950 276 1HE LYS 35 1HE LYS 35 50.725 38.287 -4.893 277 2HE LYS 35 2HE LYS 35 50.630 40.058 -4.878 278 1HZ LYS 35 1HZ LYS 35 48.612 39.034 -4.131 279 2HZ LYS 35 2HZ LYS 35 48.440 38.225 -5.559 280 3HZ LYS 35 3HZ LYS 35 48.341 39.871 -5.525 281 H THR 36 H THR 36 48.539 37.990 -11.324 282 HA THR 36 HA THR 36 46.294 39.754 -11.704 283 HB THR 36 HB THR 36 46.582 36.765 -12.200 284 HG1 THR 36 HG1 THR 36 46.967 39.028 -13.866 285 1HG2 THR 36 1HG2 THR 36 44.792 37.164 -13.884 286 2HG2 THR 36 2HG2 THR 36 44.607 38.823 -13.275 287 3HG2 THR 36 3HG2 THR 36 44.220 37.435 -12.229 288 H CYS 37 H CYS 37 47.279 37.556 -9.174 289 HA CYS 37 HA CYS 37 45.148 38.450 -7.528 290 1HB CYS 37 2HB CYS 37 43.832 36.599 -7.210 291 2HB CYS 37 1HB CYS 37 43.954 36.689 -8.964 292 HXT CYS 37 HO OH 38 46.788 36.779 -4.867 Start of MODEL 12 1 1H GLY 1 1H GLY 1 65.322 55.248 15.584 2 2H GLY 1 2H GLY 1 65.560 56.443 16.696 3 3H GLY 1 3H GLY 1 64.092 56.280 15.960 4 1HA GLY 1 1HA GLY 1 65.285 58.132 15.049 5 2HA GLY 1 2HA GLY 1 66.606 57.018 14.645 6 H ILE 2 H ILE 2 66.006 58.181 12.491 7 HA ILE 2 HA ILE 2 63.715 57.491 11.036 8 HB ILE 2 HB ILE 2 65.233 59.308 10.444 9 1HG1 ILE 2 1HG1 ILE 2 65.493 58.904 8.025 10 2HG1 ILE 2 2HG1 ILE 2 65.177 57.180 8.276 11 1HG2 ILE 2 1HG2 ILE 2 67.423 58.918 9.446 12 2HG2 ILE 2 2HG2 ILE 2 67.392 58.220 11.073 13 3HG2 ILE 2 3HG2 ILE 2 67.249 57.166 9.647 14 1HD1 ILE 2 1HD1 ILE 2 62.883 57.692 9.023 15 2HD1 ILE 2 2HD1 ILE 2 63.230 59.437 8.945 16 3HD1 ILE 2 3HD1 ILE 2 63.187 58.464 7.458 17 H LEU 3 H LEU 3 66.703 55.708 11.693 18 HA LEU 3 HA LEU 3 66.359 53.728 9.649 19 1HB LEU 3 2HB LEU 3 67.926 53.721 12.264 20 2HB LEU 3 1HB LEU 3 68.120 52.557 10.951 21 HG LEU 3 HG LEU 3 68.677 55.556 10.776 22 1HD1 LEU 3 1HD2 LEU 3 71.033 54.857 10.642 23 2HD1 LEU 3 2HD2 LEU 3 70.551 53.157 10.840 24 3HD1 LEU 3 3HD2 LEU 3 70.295 54.316 12.164 25 1HD2 LEU 3 1HD1 LEU 3 69.735 54.961 8.589 26 2HD2 LEU 3 2HD1 LEU 3 69.086 53.314 8.744 27 3HD2 LEU 3 3HD1 LEU 3 67.984 54.702 8.578 28 H ASP 4 H ASP 4 64.826 54.195 12.722 29 HA ASP 4 HA ASP 4 64.048 51.346 12.959 30 1HB ASP 4 1HB ASP 4 64.792 52.573 14.987 31 2HB ASP 4 2HB ASP 4 63.503 53.762 14.736 32 HD2 ASP 4 HD2 ASP 4 60.966 51.690 15.944 33 H THR 5 H THR 5 63.135 54.539 11.851 34 HA THR 5 HA THR 5 60.333 54.143 12.109 35 HB THR 5 HB THR 5 61.892 56.200 10.499 36 HG1 THR 5 HG1 THR 5 61.456 57.466 12.349 37 1HG2 THR 5 1HG2 THR 5 58.980 56.153 11.393 38 2HG2 THR 5 2HG2 THR 5 59.572 56.083 9.715 39 3HG2 THR 5 3HG2 THR 5 59.813 57.552 10.679 40 H LEU 6 H LEU 6 62.615 54.112 9.327 41 HA LEU 6 HA LEU 6 60.683 53.350 7.347 42 1HB LEU 6 1HB LEU 6 63.688 52.877 7.496 43 2HB LEU 6 2HB LEU 6 62.693 52.712 6.040 44 HG LEU 6 HG LEU 6 63.098 55.305 7.607 45 1HD1 LEU 6 1HD1 LEU 6 64.485 55.973 5.688 46 2HD1 LEU 6 2HD1 LEU 6 64.257 54.370 4.951 47 3HD1 LEU 6 3HD1 LEU 6 65.150 54.529 6.481 48 1HD2 LEU 6 1HD2 LEU 6 61.721 54.732 4.944 49 2HD2 LEU 6 2HD2 LEU 6 62.086 56.351 5.580 50 3HD2 LEU 6 3HD2 LEU 6 60.938 55.310 6.434 51 H LYS 7 H LYS 7 62.760 51.544 9.622 52 HA LYS 7 HA LYS 7 62.296 48.929 8.609 53 1HB LYS 7 2HB LYS 7 63.155 50.123 11.253 54 2HB LYS 7 1HB LYS 7 62.825 48.401 11.102 55 1HG LYS 7 2HG LYS 7 65.164 48.776 10.861 56 2HG LYS 7 1HG LYS 7 64.518 48.163 9.339 57 1HD LYS 7 1HD LYS 7 64.779 51.153 9.723 58 2HD LYS 7 2HD LYS 7 66.252 50.206 9.495 59 1HE LYS 7 1HE LYS 7 63.929 50.144 7.529 60 2HE LYS 7 2HE LYS 7 65.381 51.144 7.374 61 1HZ LYS 7 1HZ LYS 7 65.577 49.137 6.152 62 2HZ LYS 7 2HZ LYS 7 66.685 49.158 7.373 63 3HZ LYS 7 3HZ LYS 7 65.335 48.218 7.498 64 H GLN 8 H GLN 8 60.551 50.950 11.005 65 HA GLN 8 HA GLN 8 58.755 49.096 12.031 66 1HB GLN 8 1HB GLN 8 59.089 51.470 12.755 67 2HB GLN 8 2HB GLN 8 58.197 52.005 11.318 68 1HG GLN 8 2HG GLN 8 56.220 50.731 12.068 69 2HG GLN 8 1HG GLN 8 57.110 50.227 13.523 70 1HE2 GLN 8 1HE2 GLN 8 58.085 52.136 14.825 71 2HE2 GLN 8 2HE2 GLN 8 57.056 53.538 15.021 72 H PHE 9 H PHE 9 58.567 51.010 9.026 73 HA PHE 9 HA PHE 9 55.963 49.861 8.316 74 1HB PHE 9 1HB PHE 9 57.750 51.831 6.861 75 2HB PHE 9 2HB PHE 9 56.069 51.452 6.467 76 HD1 PHE 9 HD1 PHE 9 54.531 51.566 8.831 77 HD2 PHE 9 HD2 PHE 9 57.978 53.944 7.823 78 HE1 PHE 9 HE1 PHE 9 53.813 53.297 10.448 79 HE2 PHE 9 HE2 PHE 9 57.233 55.688 9.419 80 HZ PHE 9 HZ PHE 9 55.166 55.357 10.750 81 H ALA 10 H ALA 10 59.361 49.698 7.198 82 HA ALA 10 HA ALA 10 58.933 48.405 4.751 83 1HB ALA 10 1HB ALA 10 61.277 48.130 6.671 84 2HB ALA 10 2HB ALA 10 61.284 47.703 4.946 85 3HB ALA 10 3HB ALA 10 61.074 49.397 5.437 86 H LYS 11 H LYS 11 59.221 46.991 8.042 87 HA LYS 11 HA LYS 11 59.132 44.259 7.111 88 1HB LYS 11 2HB LYS 11 58.758 43.679 9.420 89 2HB LYS 11 1HB LYS 11 60.049 44.889 9.304 90 1HG LYS 11 1HG LYS 11 58.359 46.665 9.865 91 2HG LYS 11 2HG LYS 11 57.156 45.390 10.143 92 1HD LYS 11 1HD LYS 11 59.810 45.677 11.621 93 2HD LYS 11 2HD LYS 11 58.227 46.201 12.228 94 1HE LYS 11 1HE LYS 11 57.409 43.848 12.073 95 2HE LYS 11 2HE LYS 11 59.039 43.335 11.585 96 1HZ LYS 11 1HZ LYS 11 59.860 44.178 13.650 97 2HZ LYS 11 2HZ LYS 11 58.686 43.049 13.908 98 3HZ LYS 11 3HZ LYS 11 58.348 44.650 14.109 99 H GLY 12 H GLY 12 56.659 46.678 7.957 100 1HA GLY 12 1HA GLY 12 54.464 44.796 7.667 101 2HA GLY 12 2HA GLY 12 54.347 46.579 7.740 102 H VAL 13 H VAL 13 56.420 46.731 5.469 103 HA VAL 13 HA VAL 13 54.783 45.708 3.237 104 HB VAL 13 HB VAL 13 57.420 47.233 3.224 105 1HG1 VAL 13 1HG2 VAL 13 55.332 46.770 1.052 106 2HG1 VAL 13 2HG2 VAL 13 56.764 47.812 0.892 107 3HG1 VAL 13 3HG2 VAL 13 56.964 46.065 1.083 108 1HG2 VAL 13 1HG1 VAL 13 56.050 49.237 2.629 109 2HG2 VAL 13 2HG1 VAL 13 55.677 48.651 4.256 110 3HG2 VAL 13 3HG1 VAL 13 54.574 48.289 2.910 111 H GLY 14 H GLY 14 55.422 43.891 4.957 112 1HA GLY 14 1HA GLY 14 57.058 42.027 3.367 113 2HA GLY 14 2HA GLY 14 57.476 42.228 5.084 114 H LYS 15 H LYS 15 54.771 42.853 5.932 115 HA LYS 15 HA LYS 15 53.520 40.194 6.069 116 1HB LYS 15 2HB LYS 15 52.784 42.959 7.059 117 2HB LYS 15 1HB LYS 15 51.627 41.621 7.047 118 1HG LYS 15 2HG LYS 15 52.562 41.776 9.222 119 2HG LYS 15 1HG LYS 15 53.099 40.260 8.489 120 1HD LYS 15 1HD LYS 15 54.866 42.678 8.226 121 2HD LYS 15 2HD LYS 15 54.728 41.940 9.823 122 1HE LYS 15 2HE LYS 15 55.448 39.779 9.010 123 2HE LYS 15 1HE LYS 15 55.529 40.370 7.344 124 1HZ LYS 15 1HZ LYS 15 57.211 41.911 8.037 125 2HZ LYS 15 2HZ LYS 15 57.662 40.359 8.369 126 3HZ LYS 15 3HZ LYS 15 57.144 41.347 9.585 127 H ASP 16 H ASP 16 52.984 43.363 4.488 128 HA ASP 16 HA ASP 16 50.606 42.674 3.084 129 1HB ASP 16 2HB ASP 16 51.397 44.980 3.496 130 2HB ASP 16 1HB ASP 16 52.786 44.692 2.432 131 HD2 ASP 16 HD2 ASP 16 49.058 44.986 0.793 132 H LEU 17 H LEU 17 53.962 41.804 2.584 133 HA LEU 17 HA LEU 17 53.600 41.153 -0.272 134 1HB LEU 17 1HB LEU 17 55.959 40.752 1.600 135 2HB LEU 17 2HB LEU 17 55.946 40.566 -0.153 136 HG LEU 17 HG LEU 17 55.598 43.176 1.378 137 1HD1 LEU 17 1HD1 LEU 17 57.743 42.181 -0.550 138 2HD1 LEU 17 2HD1 LEU 17 57.710 43.771 0.240 139 3HD1 LEU 17 3HD1 LEU 17 57.920 42.299 1.213 140 1HD2 LEU 17 1HD2 LEU 17 55.609 44.242 -0.883 141 2HD2 LEU 17 2HD2 LEU 17 54.159 43.267 -0.601 142 3HD2 LEU 17 3HD2 LEU 17 55.474 42.630 -1.619 143 H VAL 18 H VAL 18 53.990 39.733 2.983 144 HA VAL 18 HA VAL 18 53.787 36.997 2.061 145 HB VAL 18 HB VAL 18 53.474 38.432 4.716 146 1HG1 VAL 18 1HG1 VAL 18 53.269 36.215 5.787 147 2HG1 VAL 18 2HG1 VAL 18 53.065 35.472 4.183 148 3HG1 VAL 18 3HG1 VAL 18 51.851 36.621 4.805 149 1HG2 VAL 18 1HG2 VAL 18 55.474 37.126 5.292 150 2HG2 VAL 18 2HG2 VAL 18 55.408 36.290 3.725 151 3HG2 VAL 18 3HG2 VAL 18 55.768 38.027 3.791 152 H LYS 19 H LYS 19 51.635 39.703 2.754 153 HA LYS 19 HA LYS 19 49.194 38.090 2.619 154 1HB LYS 19 1HB LYS 19 49.867 40.544 3.704 155 2HB LYS 19 2HB LYS 19 48.989 41.025 2.252 156 1HG LYS 19 2HG LYS 19 48.039 39.104 4.429 157 2HG LYS 19 1HG LYS 19 47.541 40.794 4.276 158 1HD LYS 19 1HD LYS 19 46.989 38.643 2.186 159 2HD LYS 19 2HD LYS 19 45.859 39.147 3.449 160 1HE LYS 19 1HE LYS 19 45.855 41.452 2.593 161 2HE LYS 19 2HE LYS 19 46.974 40.992 1.296 162 1HZ LYS 19 1HZ LYS 19 45.332 39.462 0.503 163 2HZ LYS 19 2HZ LYS 19 44.288 39.895 1.704 164 3HZ LYS 19 3HZ LYS 19 44.725 40.995 0.555 165 H GLY 20 H GLY 20 51.468 38.876 0.383 166 1HA GLY 20 1HA GLY 20 49.524 39.243 -1.861 167 2HA GLY 20 2HA GLY 20 51.175 39.886 -1.826 168 H ALA 21 H ALA 21 52.948 38.175 -1.484 169 HA ALA 21 HA ALA 21 52.910 36.222 -3.489 170 1HB ALA 21 1HB ALA 21 54.953 37.180 -2.531 171 2HB ALA 21 2HB ALA 21 54.606 36.413 -0.967 172 3HB ALA 21 3HB ALA 21 54.972 35.408 -2.387 173 H ALA 22 H ALA 22 52.898 35.647 0.022 174 HA ALA 22 HA ALA 22 51.889 32.921 -0.381 175 1HB ALA 22 1HB ALA 22 52.401 32.647 2.004 176 2HB ALA 22 2HB ALA 22 52.768 34.383 2.133 177 3HB ALA 22 3HB ALA 22 53.785 33.330 1.126 178 H GLN 23 H GLN 23 50.013 34.934 -1.122 179 HA GLN 23 HA GLN 23 48.106 35.283 1.045 180 1HB GLN 23 1HB GLN 23 48.542 36.902 -0.798 181 2HB GLN 23 2HB GLN 23 47.835 35.775 -1.957 182 1HG GLN 23 2HG GLN 23 46.413 36.923 0.487 183 2HG GLN 23 1HG GLN 23 46.302 37.583 -1.153 184 1HE2 GLN 23 1HE2 GLN 23 45.738 35.786 -2.888 185 2HE2 GLN 23 2HE2 GLN 23 44.383 34.766 -2.454 186 H GLY 24 H GLY 24 48.066 33.622 -2.150 187 1HA GLY 24 2HA GLY 24 46.851 31.208 -1.106 188 2HA GLY 24 1HA GLY 24 45.703 32.232 -2.002 189 H VAL 25 H VAL 25 48.953 30.744 -2.203 190 HA VAL 25 HA VAL 25 49.414 31.277 -4.936 191 HB VAL 25 HB VAL 25 50.493 29.020 -3.192 192 1HG1 VAL 25 1HG2 VAL 25 50.937 28.631 -5.588 193 2HG1 VAL 25 2HG2 VAL 25 52.426 29.099 -4.750 194 3HG1 VAL 25 3HG2 VAL 25 51.564 30.287 -5.752 195 1HG2 VAL 25 1HG1 VAL 25 52.401 30.562 -2.830 196 2HG2 VAL 25 2HG1 VAL 25 50.896 31.219 -2.167 197 3HG2 VAL 25 3HG1 VAL 25 51.528 31.837 -3.711 198 H LEU 26 H LEU 26 48.200 28.354 -3.287 199 HA LEU 26 HA LEU 26 47.955 26.601 -5.410 200 1HB LEU 26 1HB LEU 26 46.074 26.935 -3.052 201 2HB LEU 26 2HB LEU 26 46.224 25.486 -4.057 202 HG LEU 26 HG LEU 26 48.428 26.657 -2.295 203 1HD1 LEU 26 1HD1 LEU 26 48.033 24.659 -0.917 204 2HD1 LEU 26 2HD1 LEU 26 46.564 25.651 -1.031 205 3HD1 LEU 26 3HD1 LEU 26 46.708 24.163 -1.994 206 1HD2 LEU 26 1HD2 LEU 26 49.579 24.493 -2.783 207 2HD2 LEU 26 2HD2 LEU 26 48.324 24.116 -3.982 208 3HD2 LEU 26 3HD2 LEU 26 49.413 25.502 -4.227 209 H SER 27 H SER 27 45.657 29.181 -4.460 210 HA SER 27 HA SER 27 43.717 28.373 -6.481 211 1HB SER 27 2HB SER 27 42.498 30.373 -5.720 212 2HB SER 27 1HB SER 27 42.955 29.307 -4.376 213 HG SER 27 HG SER 27 44.316 31.660 -5.191 214 H THR 28 H THR 28 46.176 30.955 -6.066 215 HA THR 28 HA THR 28 45.496 32.460 -8.366 216 HB THR 28 HB THR 28 48.159 32.152 -6.930 217 HG1 THR 28 HG1 THR 28 47.409 34.047 -5.899 218 1HG2 THR 28 1HG2 THR 28 47.122 34.313 -8.820 219 2HG2 THR 28 2HG2 THR 28 48.458 33.186 -9.154 220 3HG2 THR 28 3HG2 THR 28 48.625 34.405 -7.877 221 H VAL 29 H VAL 29 48.040 29.939 -7.879 222 HA VAL 29 HA VAL 29 48.926 29.948 -10.563 223 HB VAL 29 HB VAL 29 50.051 29.089 -8.450 224 1HG1 VAL 29 1HG2 VAL 29 49.808 26.760 -7.854 225 2HG1 VAL 29 2HG2 VAL 29 48.231 27.555 -7.704 226 3HG1 VAL 29 3HG2 VAL 29 48.574 26.508 -9.101 227 1HG2 VAL 29 1HG1 VAL 29 51.354 27.420 -9.703 228 2HG2 VAL 29 2HG1 VAL 29 50.071 27.332 -10.934 229 3HG2 VAL 29 3HG1 VAL 29 50.990 28.841 -10.708 230 H SER 30 H SER 30 46.421 28.148 -8.851 231 HA SER 30 HA SER 30 45.851 26.250 -10.898 232 1HB SER 30 1HB SER 30 45.204 25.975 -8.524 233 2HB SER 30 2HB SER 30 44.064 27.328 -8.673 234 HG SER 30 HG SER 30 43.063 25.291 -8.967 235 H CYS 31 H CYS 31 44.102 29.260 -9.966 236 HA CYS 31 HA CYS 31 42.298 29.115 -12.190 237 1HB CYS 31 1HB CYS 31 41.518 31.242 -11.431 238 2HB CYS 31 2HB CYS 31 41.911 30.285 -9.996 239 H LYS 32 H LYS 32 45.553 29.459 -12.506 240 HA LYS 32 HA LYS 32 45.671 31.989 -13.880 241 1HB LYS 32 2HB LYS 32 47.463 31.173 -12.465 242 2HB LYS 32 1HB LYS 32 47.755 29.797 -13.557 243 1HG LYS 32 1HG LYS 32 48.613 31.152 -15.239 244 2HG LYS 32 2HG LYS 32 47.626 32.539 -14.746 245 1HD LYS 32 2HD LYS 32 49.984 32.995 -14.256 246 2HD LYS 32 1HD LYS 32 49.022 32.881 -12.769 247 1HE LYS 32 2HE LYS 32 51.179 31.714 -12.519 248 2HE LYS 32 1HE LYS 32 49.840 30.557 -12.426 249 1HZ LYS 32 1HZ LYS 32 51.484 31.081 -14.798 250 2HZ LYS 32 2HZ LYS 32 51.616 29.774 -13.801 251 3HZ LYS 32 3HZ LYS 32 50.252 29.988 -14.701 252 H LEU 33 H LEU 33 43.783 30.913 -15.171 253 HA LEU 33 HA LEU 33 44.790 29.712 -17.714 254 1HB LEU 33 1HB LEU 33 41.995 30.416 -16.725 255 2HB LEU 33 2HB LEU 33 42.364 29.859 -18.359 256 HG LEU 33 HG LEU 33 41.486 28.058 -17.063 257 1HD1 LEU 33 1HD2 LEU 33 43.246 27.567 -18.754 258 2HD1 LEU 33 2HD2 LEU 33 44.464 27.570 -17.456 259 3HD1 LEU 33 3HD2 LEU 33 43.164 26.366 -17.449 260 1HD2 LEU 33 1HD1 LEU 33 43.844 28.240 -15.156 261 2HD2 LEU 33 2HD1 LEU 33 42.470 27.128 -15.096 262 3HD2 LEU 33 3HD1 LEU 33 42.209 28.859 -14.803 263 H ALA 34 H ALA 34 46.204 31.612 -17.815 264 HA ALA 34 HA ALA 34 46.841 33.631 -18.570 265 1HB ALA 34 1HB ALA 34 45.526 34.840 -20.208 266 2HB ALA 34 2HB ALA 34 44.078 33.887 -19.832 267 3HB ALA 34 3HB ALA 34 45.490 33.104 -20.577 268 H LYS 35 H LYS 35 46.244 33.477 -15.997 269 HA LYS 35 HA LYS 35 45.724 34.606 -14.124 270 1HB LYS 35 1HB LYS 35 46.010 36.984 -15.998 271 2HB LYS 35 2HB LYS 35 46.063 37.029 -14.226 272 1HG LYS 35 2HG LYS 35 48.012 35.478 -15.983 273 2HG LYS 35 1HG LYS 35 48.312 37.066 -15.254 274 1HD LYS 35 1HD LYS 35 48.003 36.101 -12.990 275 2HD LYS 35 2HD LYS 35 47.693 34.510 -13.711 276 1HE LYS 35 2HE LYS 35 49.994 34.606 -12.954 277 2HE LYS 35 1HE LYS 35 49.967 34.539 -14.726 278 1HZ LYS 35 1HZ LYS 35 51.514 36.153 -13.897 279 2HZ LYS 35 2HZ LYS 35 50.317 36.962 -13.103 280 3HZ LYS 35 3HZ LYS 35 50.319 36.900 -14.751 281 H THR 36 H THR 36 43.531 33.526 -14.462 282 HA THR 36 HA THR 36 41.314 35.297 -15.103 283 HB THR 36 HB THR 36 41.354 32.575 -13.749 284 HG1 THR 36 HG1 THR 36 40.814 31.914 -15.883 285 1HG2 THR 36 1HG2 THR 36 39.115 34.155 -15.086 286 2HG2 THR 36 2HG2 THR 36 39.000 32.470 -14.533 287 3HG2 THR 36 3HG2 THR 36 39.238 33.772 -13.352 288 H CYS 37 H CYS 37 43.006 34.162 -12.163 289 HA CYS 37 HA CYS 37 41.553 36.254 -10.640 290 1HB CYS 37 1HB CYS 37 40.859 34.911 -8.963 291 2HB CYS 37 2HB CYS 37 40.623 33.833 -10.336 292 HXT CYS 37 HO OH 38 45.420 35.351 -10.215 Start of MODEL 13 1 1H GLY 1 1H GLY 1 69.182 56.152 15.642 2 2H GLY 1 2H GLY 1 69.656 57.576 16.328 3 3H GLY 1 3H GLY 1 68.314 56.796 16.888 4 1HA GLY 1 1HA GLY 1 67.699 58.682 15.564 5 2HA GLY 1 2HA GLY 1 68.633 57.983 14.227 6 H ILE 2 H ILE 2 66.445 58.286 13.180 7 HA ILE 2 HA ILE 2 64.388 56.327 13.864 8 HB ILE 2 HB ILE 2 63.322 57.339 11.771 9 1HG1 ILE 2 1HG1 ILE 2 64.029 59.551 11.096 10 2HG1 ILE 2 2HG1 ILE 2 65.423 59.514 12.175 11 1HG2 ILE 2 1HG2 ILE 2 62.596 59.316 13.037 12 2HG2 ILE 2 2HG2 ILE 2 63.966 59.114 14.152 13 3HG2 ILE 2 3HG2 ILE 2 62.686 57.882 14.077 14 1HD1 ILE 2 1HD1 ILE 2 66.032 59.102 9.814 15 2HD1 ILE 2 2HD1 ILE 2 66.428 57.700 10.821 16 3HD1 ILE 2 3HD1 ILE 2 64.979 57.676 9.781 17 H LEU 3 H LEU 3 66.861 55.133 13.340 18 HA LEU 3 HA LEU 3 66.982 54.254 10.585 19 1HB LEU 3 2HB LEU 3 68.476 53.362 13.086 20 2HB LEU 3 1HB LEU 3 68.922 52.972 11.420 21 HG LEU 3 HG LEU 3 68.850 55.776 12.635 22 1HD1 LEU 3 1HD2 LEU 3 70.660 54.359 13.526 23 2HD1 LEU 3 2HD2 LEU 3 71.301 55.642 12.479 24 3HD1 LEU 3 3HD2 LEU 3 71.183 53.976 11.870 25 1HD2 LEU 3 1HD1 LEU 3 69.765 54.790 9.896 26 2HD2 LEU 3 2HD1 LEU 3 68.396 55.880 10.222 27 3HD2 LEU 3 3HD1 LEU 3 70.050 56.421 10.542 28 H ASP 4 H ASP 4 65.802 52.939 13.657 29 HA ASP 4 HA ASP 4 65.199 50.311 12.438 30 1HB ASP 4 1HB ASP 4 64.577 49.735 14.744 31 2HB ASP 4 2HB ASP 4 66.228 50.383 14.672 32 HD2 ASP 4 HD2 ASP 4 63.315 52.396 16.640 33 H THR 5 H THR 5 63.956 53.455 13.055 34 HA THR 5 HA THR 5 61.282 52.717 13.635 35 HB THR 5 HB THR 5 62.411 55.362 12.647 36 HG1 THR 5 HG1 THR 5 61.874 54.347 15.245 37 1HG2 THR 5 1HG2 THR 5 59.957 55.286 12.389 38 2HG2 THR 5 2HG2 THR 5 59.791 54.706 14.063 39 3HG2 THR 5 3HG2 THR 5 60.408 56.342 13.742 40 H LEU 6 H LEU 6 62.862 54.048 10.674 41 HA LEU 6 HA LEU 6 60.594 53.683 8.947 42 1HB LEU 6 2HB LEU 6 63.577 53.852 8.372 43 2HB LEU 6 1HB LEU 6 62.286 53.997 7.172 44 HG LEU 6 HG LEU 6 62.745 55.901 9.513 45 1HD1 LEU 6 1HD1 LEU 6 63.225 56.220 6.522 46 2HD1 LEU 6 2HD1 LEU 6 64.483 56.038 7.765 47 3HD1 LEU 6 3HD1 LEU 6 63.446 57.481 7.755 48 1HD2 LEU 6 1HD2 LEU 6 60.763 55.988 7.194 49 2HD2 LEU 6 2HD2 LEU 6 60.363 55.842 8.923 50 3HD2 LEU 6 3HD2 LEU 6 61.089 57.334 8.307 51 H LYS 7 H LYS 7 63.369 51.668 9.951 52 HA LYS 7 HA LYS 7 63.136 49.581 8.116 53 1HB LYS 7 2HB LYS 7 64.970 50.022 9.799 54 2HB LYS 7 1HB LYS 7 63.883 49.414 11.059 55 1HG LYS 7 2HG LYS 7 65.367 47.641 10.389 56 2HG LYS 7 1HG LYS 7 63.736 47.236 9.811 57 1HD LYS 7 2HD LYS 7 64.334 48.101 7.561 58 2HD LYS 7 1HD LYS 7 65.948 48.542 8.163 59 1HE LYS 7 2HE LYS 7 66.399 46.157 8.685 60 2HE LYS 7 1HE LYS 7 64.790 45.720 8.072 61 1HZ LYS 7 1HZ LYS 7 65.449 46.553 5.938 62 2HZ LYS 7 2HZ LYS 7 66.486 45.375 6.444 63 3HZ LYS 7 3HZ LYS 7 66.942 46.959 6.509 64 H GLN 8 H GLN 8 61.543 50.064 11.300 65 HA GLN 8 HA GLN 8 60.103 47.658 11.442 66 1HB GLN 8 1HB GLN 8 60.436 49.222 13.316 67 2HB GLN 8 2HB GLN 8 59.460 50.444 12.495 68 1HG GLN 8 1HG GLN 8 58.181 49.282 14.238 69 2HG GLN 8 2HG GLN 8 57.473 49.053 12.631 70 1HE2 GLN 8 1HE2 GLN 8 59.938 47.481 14.773 71 2HE2 GLN 8 2HE2 GLN 8 59.409 45.843 14.459 72 H PHE 9 H PHE 9 59.174 50.864 10.146 73 HA PHE 9 HA PHE 9 56.572 50.091 9.270 74 1HB PHE 9 1HB PHE 9 57.258 52.409 9.699 75 2HB PHE 9 2HB PHE 9 58.419 52.333 8.372 76 HD1 PHE 9 HD1 PHE 9 54.762 52.093 9.153 77 HD2 PHE 9 HD2 PHE 9 57.756 52.879 6.161 78 HE1 PHE 9 HE1 PHE 9 53.002 52.891 7.598 79 HE2 PHE 9 HE2 PHE 9 55.995 53.688 4.615 80 HZ PHE 9 HZ PHE 9 53.618 53.698 5.332 81 H ALA 10 H ALA 10 59.756 50.222 7.625 82 HA ALA 10 HA ALA 10 58.819 49.719 5.010 83 1HB ALA 10 1HB ALA 10 61.503 49.031 6.276 84 2HB ALA 10 2HB ALA 10 61.161 49.128 4.534 85 3HB ALA 10 3HB ALA 10 61.061 50.589 5.540 86 H LYS 11 H LYS 11 59.772 47.427 7.624 87 HA LYS 11 HA LYS 11 59.271 45.145 5.840 88 1HB LYS 11 2HB LYS 11 59.914 43.749 7.642 89 2HB LYS 11 1HB LYS 11 61.095 45.058 7.491 90 1HG LYS 11 2HG LYS 11 60.079 46.209 9.426 91 2HG LYS 11 1HG LYS 11 58.838 44.938 9.542 92 1HD LYS 11 1HD LYS 11 60.617 43.240 9.894 93 2HD LYS 11 2HD LYS 11 61.849 44.512 9.782 94 1HE LYS 11 2HE LYS 11 61.411 43.948 12.117 95 2HE LYS 11 1HE LYS 11 60.900 45.612 11.787 96 1HZ LYS 11 1HZ LYS 11 59.136 43.264 11.877 97 2HZ LYS 11 2HZ LYS 11 59.300 44.388 13.072 98 3HZ LYS 11 3HZ LYS 11 58.658 44.822 11.619 99 H GLY 12 H GLY 12 57.445 47.173 7.989 100 1HA GLY 12 1HA GLY 12 55.247 45.256 8.183 101 2HA GLY 12 2HA GLY 12 55.239 46.950 8.758 102 H VAL 13 H VAL 13 56.328 47.893 6.111 103 HA VAL 13 HA VAL 13 54.090 47.250 4.278 104 HB VAL 13 HB VAL 13 56.431 49.194 4.059 105 1HG1 VAL 13 1HG2 VAL 13 55.061 50.228 2.224 106 2HG1 VAL 13 2HG2 VAL 13 55.633 48.614 1.804 107 3HG1 VAL 13 3HG2 VAL 13 53.948 48.844 2.326 108 1HG2 VAL 13 1HG1 VAL 13 54.831 49.919 5.811 109 2HG2 VAL 13 2HG1 VAL 13 53.483 49.701 4.676 110 3HG2 VAL 13 3HG1 VAL 13 54.697 50.963 4.389 111 H GLY 14 H GLY 14 55.500 45.180 5.172 112 1HA GLY 14 2HA GLY 14 56.781 44.193 2.696 113 2HA GLY 14 1HA GLY 14 57.686 44.064 4.215 114 H LYS 15 H LYS 15 55.128 43.783 5.777 115 HA LYS 15 HA LYS 15 54.642 40.906 5.261 116 1HB LYS 15 2HB LYS 15 53.710 40.781 7.427 117 2HB LYS 15 1HB LYS 15 55.258 41.634 7.507 118 1HG LYS 15 1HG LYS 15 53.974 42.943 8.898 119 2HG LYS 15 2HG LYS 15 53.766 43.805 7.364 120 1HD LYS 15 2HD LYS 15 51.573 42.648 7.047 121 2HD LYS 15 1HD LYS 15 51.851 41.743 8.546 122 1HE LYS 15 1HE LYS 15 50.359 43.594 9.001 123 2HE LYS 15 2HE LYS 15 51.912 43.897 9.804 124 1HZ LYS 15 1HZ LYS 15 51.079 45.831 8.693 125 2HZ LYS 15 2HZ LYS 15 52.482 45.340 7.978 126 3HZ LYS 15 3HZ LYS 15 51.035 45.044 7.245 127 H ASP 16 H ASP 16 53.241 44.076 4.895 128 HA ASP 16 HA ASP 16 50.550 43.183 4.252 129 1HB ASP 16 2HB ASP 16 51.074 45.494 4.973 130 2HB ASP 16 1HB ASP 16 52.111 45.702 3.551 131 HD2 ASP 16 HD2 ASP 16 48.064 45.508 3.044 132 H LEU 17 H LEU 17 53.709 43.271 2.711 133 HA LEU 17 HA LEU 17 52.636 43.103 -0.030 134 1HB LEU 17 1HB LEU 17 55.489 43.136 1.031 135 2HB LEU 17 2HB LEU 17 54.974 43.261 -0.653 136 HG LEU 17 HG LEU 17 54.500 45.315 1.546 137 1HD1 LEU 17 1HD1 LEU 17 56.067 45.409 -1.070 138 2HD1 LEU 17 2HD1 LEU 17 56.779 45.241 0.548 139 3HD1 LEU 17 3HD1 LEU 17 55.917 46.731 0.107 140 1HD2 LEU 17 1HD2 LEU 17 52.517 45.306 0.108 141 2HD2 LEU 17 2HD2 LEU 17 53.514 46.716 -0.277 142 3HD2 LEU 17 3HD2 LEU 17 53.540 45.299 -1.349 143 H VAL 18 H VAL 18 54.656 41.334 2.373 144 HA VAL 18 HA VAL 18 54.797 38.941 0.771 145 HB VAL 18 HB VAL 18 55.326 39.604 3.677 146 1HG1 VAL 18 1HG1 VAL 18 54.487 37.328 3.709 147 2HG1 VAL 18 2HG1 VAL 18 56.250 37.314 3.895 148 3HG1 VAL 18 3HG1 VAL 18 55.523 36.895 2.323 149 1HG2 VAL 18 1HG2 VAL 18 56.966 40.322 1.908 150 2HG2 VAL 18 2HG2 VAL 18 57.108 38.628 1.400 151 3HG2 VAL 18 3HG2 VAL 18 57.641 39.115 3.022 152 H LYS 19 H LYS 19 52.542 40.375 3.075 153 HA LYS 19 HA LYS 19 50.853 38.060 3.442 154 1HB LYS 19 1HB LYS 19 50.909 39.972 4.969 155 2HB LYS 19 2HB LYS 19 50.288 41.043 3.703 156 1HG LYS 19 2HG LYS 19 48.772 38.575 4.645 157 2HG LYS 19 1HG LYS 19 48.638 40.147 5.453 158 1HD LYS 19 1HD LYS 19 47.879 41.204 3.356 159 2HD LYS 19 2HD LYS 19 48.000 39.645 2.522 160 1HE LYS 19 1HE LYS 19 45.695 40.009 3.113 161 2HE LYS 19 2HE LYS 19 46.327 38.690 4.117 162 1HZ LYS 19 1HZ LYS 19 46.017 41.492 4.946 163 2HZ LYS 19 2HZ LYS 19 45.023 40.246 5.367 164 3HZ LYS 19 3HZ LYS 19 46.585 40.268 5.894 165 H GLY 20 H GLY 20 51.063 40.756 1.152 166 1HA GLY 20 2HA GLY 20 48.592 40.235 -0.250 167 2HA GLY 20 1HA GLY 20 49.925 41.294 -0.756 168 H ALA 21 H ALA 21 52.072 39.477 -0.741 169 HA ALA 21 HA ALA 21 51.723 37.958 -3.151 170 1HB ALA 21 1HB ALA 21 53.911 38.833 -2.387 171 2HB ALA 21 2HB ALA 21 53.844 37.749 -0.977 172 3HB ALA 21 3HB ALA 21 53.949 37.071 -2.615 173 H ALA 22 H ALA 22 51.407 37.297 0.312 174 HA ALA 22 HA ALA 22 50.989 34.426 -0.176 175 1HB ALA 22 1HB ALA 22 50.976 35.997 2.419 176 2HB ALA 22 2HB ALA 22 50.947 34.228 2.253 177 3HB ALA 22 3HB ALA 22 52.375 35.141 1.727 178 H GLN 23 H GLN 23 49.047 36.514 -1.208 179 HA GLN 23 HA GLN 23 46.659 36.191 0.422 180 1HB GLN 23 1HB GLN 23 47.092 38.211 -0.907 181 2HB GLN 23 2HB GLN 23 47.057 37.261 -2.405 182 1HG GLN 23 2HG GLN 23 44.714 36.610 -1.936 183 2HG GLN 23 1HG GLN 23 44.769 37.516 -0.411 184 1HE2 GLN 23 1HE2 GLN 23 45.425 39.915 -0.663 185 2HE2 GLN 23 2HE2 GLN 23 44.722 40.770 -2.019 186 H GLY 24 H GLY 24 47.543 35.220 -2.939 187 1HA GLY 24 2HA GLY 24 46.804 32.483 -2.608 188 2HA GLY 24 1HA GLY 24 45.481 33.380 -3.390 189 H VAL 25 H VAL 25 49.076 33.568 -3.540 190 HA VAL 25 HA VAL 25 49.022 34.104 -6.359 191 HB VAL 25 HB VAL 25 50.665 35.038 -4.808 192 1HG1 VAL 25 1HG1 VAL 25 51.075 33.005 -3.404 193 2HG1 VAL 25 2HG1 VAL 25 52.550 33.802 -3.980 194 3HG1 VAL 25 3HG1 VAL 25 52.001 32.312 -4.760 195 1HG2 VAL 25 1HG2 VAL 25 52.610 34.800 -6.291 196 2HG2 VAL 25 2HG2 VAL 25 51.113 34.930 -7.236 197 3HG2 VAL 25 3HG2 VAL 25 51.897 33.348 -7.024 198 H LEU 26 H LEU 26 49.963 31.322 -4.335 199 HA LEU 26 HA LEU 26 50.614 29.513 -6.450 200 1HB LEU 26 1HB LEU 26 49.517 28.952 -3.673 201 2HB LEU 26 2HB LEU 26 50.331 27.787 -4.727 202 HG LEU 26 HG LEU 26 51.595 30.286 -3.511 203 1HD1 LEU 26 1HD1 LEU 26 51.986 27.325 -2.924 204 2HD1 LEU 26 2HD1 LEU 26 52.876 28.669 -2.173 205 3HD1 LEU 26 3HD1 LEU 26 51.132 28.490 -1.886 206 1HD2 LEU 26 1HD2 LEU 26 52.645 29.788 -5.678 207 2HD2 LEU 26 2HD2 LEU 26 52.787 28.069 -5.238 208 3HD2 LEU 26 3HD2 LEU 26 53.726 29.299 -4.365 209 H SER 27 H SER 27 47.563 30.421 -4.853 210 HA SER 27 HA SER 27 45.946 28.351 -5.953 211 1HB SER 27 1HB SER 27 45.183 31.163 -5.071 212 2HB SER 27 2HB SER 27 44.077 29.792 -5.296 213 HG SER 27 HG SER 27 44.734 30.062 -3.116 214 H THR 28 H THR 28 46.651 31.716 -7.026 215 HA THR 28 HA THR 28 45.002 31.752 -9.311 216 HB THR 28 HB THR 28 47.660 33.144 -8.794 217 HG1 THR 28 HG1 THR 28 46.245 34.831 -8.190 218 1HG2 THR 28 1HG2 THR 28 46.824 34.788 -10.475 219 2HG2 THR 28 2HG2 THR 28 45.456 33.711 -10.829 220 3HG2 THR 28 3HG2 THR 28 47.117 33.197 -11.195 221 H VAL 29 H VAL 29 48.470 30.832 -8.970 222 HA VAL 29 HA VAL 29 49.013 30.230 -11.645 223 HB VAL 29 HB VAL 29 50.105 29.124 -9.035 224 1HG1 VAL 29 1HG1 VAL 29 51.157 28.794 -11.870 225 2HG1 VAL 29 2HG1 VAL 29 50.615 27.494 -10.778 226 3HG1 VAL 29 3HG1 VAL 29 52.072 28.424 -10.389 227 1HG2 VAL 29 1HG2 VAL 29 51.175 31.176 -11.025 228 2HG2 VAL 29 2HG2 VAL 29 50.434 31.567 -9.461 229 3HG2 VAL 29 3HG2 VAL 29 51.963 30.671 -9.515 230 H SER 30 H SER 30 47.314 28.305 -9.170 231 HA SER 30 HA SER 30 47.366 25.877 -10.732 232 1HB SER 30 1HB SER 30 47.143 25.870 -8.268 233 2HB SER 30 2HB SER 30 45.586 26.715 -8.398 234 HG SER 30 HG SER 30 45.352 24.444 -8.216 235 H CYS 31 H CYS 31 44.640 28.065 -9.863 236 HA CYS 31 HA CYS 31 43.005 27.001 -12.017 237 1HB CYS 31 1HB CYS 31 41.419 28.761 -11.300 238 2HB CYS 31 2HB CYS 31 41.937 27.686 -10.002 239 H LYS 32 H LYS 32 45.721 28.541 -12.538 240 HA LYS 32 HA LYS 32 44.755 30.791 -14.149 241 1HB LYS 32 2HB LYS 32 46.668 31.089 -12.751 242 2HB LYS 32 1HB LYS 32 47.528 29.735 -13.527 243 1HG LYS 32 2HG LYS 32 47.788 30.876 -15.544 244 2HG LYS 32 1HG LYS 32 46.437 31.987 -15.195 245 1HD LYS 32 1HD LYS 32 47.688 33.028 -13.384 246 2HD LYS 32 2HD LYS 32 49.098 31.989 -13.716 247 1HE LYS 32 2HE LYS 32 49.252 32.950 -15.993 248 2HE LYS 32 1HE LYS 32 47.845 33.982 -15.662 249 1HZ LYS 32 1HZ LYS 32 50.403 34.060 -14.228 250 2HZ LYS 32 2HZ LYS 32 49.892 35.149 -15.356 251 3HZ LYS 32 3HZ LYS 32 49.096 35.017 -13.918 252 H LEU 33 H LEU 33 46.018 27.490 -14.546 253 HA LEU 33 HA LEU 33 46.847 27.503 -17.170 254 1HB LEU 33 1HB LEU 33 47.108 25.610 -15.650 255 2HB LEU 33 2HB LEU 33 45.360 25.337 -15.638 256 HG LEU 33 HG LEU 33 45.423 24.793 -18.064 257 1HD1 LEU 33 1HD2 LEU 33 47.378 26.103 -18.780 258 2HD1 LEU 33 2HD2 LEU 33 48.438 25.137 -17.726 259 3HD1 LEU 33 3HD2 LEU 33 47.645 24.389 -19.129 260 1HD2 LEU 33 1HD1 LEU 33 47.410 23.230 -16.367 261 2HD2 LEU 33 2HD1 LEU 33 45.644 23.022 -16.361 262 3HD2 LEU 33 3HD1 LEU 33 46.578 22.634 -17.821 263 H ALA 34 H ALA 34 43.537 26.438 -16.156 264 HA ALA 34 HA ALA 34 42.500 26.942 -18.846 265 1HB ALA 34 1HB ALA 34 41.112 26.111 -16.267 266 2HB ALA 34 2HB ALA 34 41.722 25.007 -17.521 267 3HB ALA 34 3HB ALA 34 40.383 26.116 -17.889 268 H LYS 35 H LYS 35 43.227 28.838 -16.227 269 HA LYS 35 HA LYS 35 42.583 30.773 -15.345 270 1HB LYS 35 2HB LYS 35 43.667 31.262 -17.530 271 2HB LYS 35 1HB LYS 35 42.067 31.474 -18.254 272 1HG LYS 35 1HG LYS 35 43.177 33.590 -17.590 273 2HG LYS 35 2HG LYS 35 41.632 33.368 -16.749 274 1HD LYS 35 1HD LYS 35 42.779 32.628 -14.726 275 2HD LYS 35 2HD LYS 35 44.358 32.697 -15.533 276 1HE LYS 35 1HE LYS 35 42.498 35.077 -15.092 277 2HE LYS 35 2HE LYS 35 43.888 34.664 -14.070 278 1HZ LYS 35 1HZ LYS 35 45.299 34.936 -15.969 279 2HZ LYS 35 2HZ LYS 35 44.454 36.318 -15.661 280 3HZ LYS 35 3HZ LYS 35 44.014 35.348 -16.918 281 H THR 36 H THR 36 40.638 29.298 -14.636 282 HA THR 36 HA THR 36 38.074 30.627 -15.215 283 HB THR 36 HB THR 36 38.085 28.267 -14.541 284 HG1 THR 36 HG1 THR 36 36.551 28.544 -12.878 285 1HG2 THR 36 1HG2 THR 36 38.621 27.629 -12.225 286 2HG2 THR 36 2HG2 THR 36 39.195 29.273 -11.882 287 3HG2 THR 36 3HG2 THR 36 40.063 28.246 -13.051 288 H CYS 37 H CYS 37 40.994 31.122 -13.423 289 HA CYS 37 HA CYS 37 39.761 33.100 -11.581 290 1HB CYS 37 1HB CYS 37 42.481 31.793 -11.816 291 2HB CYS 37 2HB CYS 37 42.168 33.157 -10.742 292 HXT CYS 37 HO OH 38 41.055 35.063 -11.394 Start of MODEL 14 1 1H GLY 1 1H GLY 1 67.967 57.632 12.090 2 2H GLY 1 2H GLY 1 67.182 58.138 13.450 3 3H GLY 1 3H GLY 1 68.167 59.178 12.631 4 1HA GLY 1 2HA GLY 1 65.893 59.705 12.196 5 2HA GLY 1 1HA GLY 1 66.739 59.154 10.737 6 H ILE 2 H ILE 2 64.425 58.810 10.068 7 HA ILE 2 HA ILE 2 63.062 56.481 11.191 8 HB ILE 2 HB ILE 2 61.450 57.012 9.294 9 1HG1 ILE 2 2HG1 ILE 2 61.463 59.263 8.383 10 2HG1 ILE 2 1HG1 ILE 2 63.014 59.628 9.134 11 1HG2 ILE 2 1HG2 ILE 2 60.487 58.892 10.545 12 2HG2 ILE 2 2HG2 ILE 2 61.108 57.644 11.642 13 3HG2 ILE 2 3HG2 ILE 2 62.034 59.139 11.384 14 1HD1 ILE 2 1HD1 ILE 2 62.527 57.512 6.990 15 2HD1 ILE 2 2HD1 ILE 2 63.212 59.125 6.721 16 3HD1 ILE 2 3HD1 ILE 2 64.113 57.946 7.686 17 H LEU 3 H LEU 3 65.623 55.849 10.341 18 HA LEU 3 HA LEU 3 65.567 54.839 7.620 19 1HB LEU 3 1HB LEU 3 67.616 54.466 9.834 20 2HB LEU 3 2HB LEU 3 67.866 54.151 8.109 21 HG LEU 3 HG LEU 3 67.291 56.878 9.365 22 1HD1 LEU 3 1HD1 LEU 3 69.624 57.363 8.762 23 2HD1 LEU 3 2HD1 LEU 3 69.823 55.705 8.150 24 3HD1 LEU 3 3HD1 LEU 3 69.531 55.987 9.881 25 1HD2 LEU 3 1HD2 LEU 3 67.913 56.081 6.486 26 2HD2 LEU 3 2HD2 LEU 3 67.886 57.748 7.102 27 3HD2 LEU 3 3HD2 LEU 3 66.394 56.795 7.078 28 H ASP 4 H ASP 4 65.141 53.479 10.865 29 HA ASP 4 HA ASP 4 65.104 50.709 9.810 30 1HB ASP 4 2HB ASP 4 66.352 51.252 11.913 31 2HB ASP 4 1HB ASP 4 64.839 51.811 12.641 32 HD2 ASP 4 HD2 ASP 4 66.158 49.050 10.933 33 H THR 5 H THR 5 63.174 53.479 10.494 34 HA THR 5 HA THR 5 60.839 52.170 11.383 35 HB THR 5 HB THR 5 61.161 54.858 10.000 36 HG1 THR 5 HG1 THR 5 61.162 55.570 12.182 37 1HG2 THR 5 1HG2 THR 5 59.047 55.435 11.171 38 2HG2 THR 5 2HG2 THR 5 58.904 53.754 11.731 39 3HG2 THR 5 3HG2 THR 5 58.801 54.130 9.995 40 H LEU 6 H LEU 6 61.924 53.334 8.162 41 HA LEU 6 HA LEU 6 59.714 52.462 6.619 42 1HB LEU 6 2HB LEU 6 62.666 52.719 5.935 43 2HB LEU 6 1HB LEU 6 61.355 52.565 4.758 44 HG LEU 6 HG LEU 6 61.660 54.867 6.739 45 1HD1 LEU 6 1HD1 LEU 6 62.302 56.175 4.751 46 2HD1 LEU 6 2HD1 LEU 6 62.206 54.711 3.747 47 3HD1 LEU 6 3HD1 LEU 6 63.434 54.835 5.027 48 1HD2 LEU 6 1HD2 LEU 6 59.303 54.535 6.124 49 2HD2 LEU 6 2HD2 LEU 6 59.746 54.428 4.403 50 3HD2 LEU 6 3HD2 LEU 6 59.944 55.956 5.288 51 H LYS 7 H LYS 7 62.660 50.795 7.768 52 HA LYS 7 HA LYS 7 62.328 48.406 6.244 53 1HB LYS 7 1HB LYS 7 63.645 48.789 8.959 54 2HB LYS 7 2HB LYS 7 63.889 47.429 7.859 55 1HG LYS 7 1HG LYS 7 64.629 50.336 7.296 56 2HG LYS 7 2HG LYS 7 65.742 49.021 7.713 57 1HD LYS 7 2HD LYS 7 65.048 47.793 5.666 58 2HD LYS 7 1HD LYS 7 63.981 49.150 5.230 59 1HE LYS 7 1HE LYS 7 65.935 50.668 5.165 60 2HE LYS 7 2HE LYS 7 67.002 49.317 5.605 61 1HZ LYS 7 1HZ LYS 7 65.363 49.483 3.178 62 2HZ LYS 7 2HZ LYS 7 66.993 49.715 3.263 63 3HZ LYS 7 3HZ LYS 7 66.353 48.230 3.587 64 H GLN 8 H GLN 8 61.420 49.261 9.614 65 HA GLN 8 HA GLN 8 60.100 46.878 10.306 66 1HB GLN 8 2HB GLN 8 60.845 48.737 11.798 67 2HB GLN 8 1HB GLN 8 59.504 49.731 11.221 68 1HG GLN 8 1HG GLN 8 59.207 47.004 12.550 69 2HG GLN 8 2HG GLN 8 59.127 48.548 13.415 70 1HE2 GLN 8 1HE2 GLN 8 57.133 46.219 12.550 71 2HE2 GLN 8 2HE2 GLN 8 55.715 47.126 12.069 72 H PHE 9 H PHE 9 58.858 49.936 8.905 73 HA PHE 9 HA PHE 9 56.144 49.165 8.676 74 1HB PHE 9 2HB PHE 9 56.965 51.475 8.531 75 2HB PHE 9 1HB PHE 9 57.803 51.100 7.023 76 HD1 PHE 9 HD1 PHE 9 56.659 51.163 4.926 77 HD2 PHE 9 HD2 PHE 9 54.430 51.359 8.604 78 HE1 PHE 9 HE1 PHE 9 54.623 51.795 3.661 79 HE2 PHE 9 HE2 PHE 9 52.394 51.986 7.334 80 HZ PHE 9 HZ PHE 9 52.491 52.215 4.863 81 H ALA 10 H ALA 10 58.888 48.879 6.369 82 HA ALA 10 HA ALA 10 57.366 47.702 4.254 83 1HB ALA 10 1HB ALA 10 59.570 47.039 3.372 84 2HB ALA 10 2HB ALA 10 60.332 47.470 4.918 85 3HB ALA 10 3HB ALA 10 59.577 48.730 3.915 86 H LYS 11 H LYS 11 59.201 46.348 7.026 87 HA LYS 11 HA LYS 11 58.320 43.601 6.395 88 1HB LYS 11 1HB LYS 11 59.851 44.773 8.752 89 2HB LYS 11 2HB LYS 11 59.524 43.049 8.498 90 1HG LYS 11 1HG LYS 11 61.139 44.817 6.608 91 2HG LYS 11 2HG LYS 11 61.798 43.674 7.792 92 1HD LYS 11 1HD LYS 11 60.627 41.807 6.639 93 2HD LYS 11 2HD LYS 11 59.972 42.959 5.457 94 1HE LYS 11 1HE LYS 11 61.903 41.850 4.500 95 2HE LYS 11 2HE LYS 11 62.286 43.561 4.772 96 1HZ LYS 11 1HZ LYS 11 63.432 42.915 6.764 97 2HZ LYS 11 2HZ LYS 11 63.051 41.329 6.522 98 3HZ LYS 11 3HZ LYS 11 64.047 42.109 5.464 99 H GLY 12 H GLY 12 56.236 45.407 6.545 100 1HA GLY 12 1HA GLY 12 54.592 44.121 8.530 101 2HA GLY 12 2HA GLY 12 54.792 45.880 8.823 102 H VAL 13 H VAL 13 54.992 46.633 6.056 103 HA VAL 13 HA VAL 13 52.530 45.570 4.767 104 HB VAL 13 HB VAL 13 54.511 47.599 3.676 105 1HG1 VAL 13 1HG1 VAL 13 52.979 46.526 2.006 106 2HG1 VAL 13 2HG1 VAL 13 52.594 48.240 2.222 107 3HG1 VAL 13 3HG1 VAL 13 51.588 47.001 3.000 108 1HG2 VAL 13 1HG2 VAL 13 52.842 49.351 4.322 109 2HG2 VAL 13 2HG2 VAL 13 53.608 48.587 5.723 110 3HG2 VAL 13 3HG2 VAL 13 51.955 48.123 5.252 111 H GLY 14 H GLY 14 54.292 43.789 5.554 112 1HA GLY 14 1HA GLY 14 55.364 42.655 3.035 113 2HA GLY 14 2HA GLY 14 56.352 42.644 4.519 114 H LYS 15 H LYS 15 54.215 42.433 6.387 115 HA LYS 15 HA LYS 15 53.486 39.647 6.357 116 1HB LYS 15 2HB LYS 15 52.318 41.960 7.918 117 2HB LYS 15 1HB LYS 15 52.188 40.246 8.348 118 1HG LYS 15 1HG LYS 15 54.897 41.646 8.155 119 2HG LYS 15 2HG LYS 15 53.881 41.790 9.585 120 1HD LYS 15 2HD LYS 15 55.594 40.100 9.819 121 2HD LYS 15 1HD LYS 15 53.963 39.432 10.026 122 1HE LYS 15 1HE LYS 15 54.057 38.365 7.866 123 2HE LYS 15 2HE LYS 15 55.557 39.232 7.438 124 1HZ LYS 15 1HZ LYS 15 55.250 37.251 9.579 125 2HZ LYS 15 2HZ LYS 15 56.644 38.042 9.189 126 3HZ LYS 15 3HZ LYS 15 55.963 36.993 8.114 127 H ASP 16 H ASP 16 51.946 42.748 5.552 128 HA ASP 16 HA ASP 16 49.342 41.770 4.888 129 1HB ASP 16 2HB ASP 16 50.946 44.217 4.058 130 2HB ASP 16 1HB ASP 16 49.256 43.971 3.631 131 HD2 ASP 16 HD2 ASP 16 50.233 44.822 7.482 132 H LEU 17 H LEU 17 52.441 41.660 3.241 133 HA LEU 17 HA LEU 17 51.233 41.188 0.584 134 1HB LEU 17 1HB LEU 17 54.136 41.286 1.476 135 2HB LEU 17 2HB LEU 17 53.532 41.215 -0.178 136 HG LEU 17 HG LEU 17 53.146 43.536 1.758 137 1HD1 LEU 17 1HD2 LEU 17 54.587 44.747 0.163 138 2HD1 LEU 17 2HD2 LEU 17 54.733 43.283 -0.834 139 3HD1 LEU 17 3HD2 LEU 17 55.430 43.318 0.799 140 1HD2 LEU 17 1HD1 LEU 17 52.188 44.714 -0.228 141 2HD2 LEU 17 2HD1 LEU 17 52.203 43.176 -1.119 142 3HD2 LEU 17 3HD1 LEU 17 51.171 43.372 0.319 143 H VAL 18 H VAL 18 53.107 39.705 3.249 144 HA VAL 18 HA VAL 18 53.245 37.097 2.016 145 HB VAL 18 HB VAL 18 53.543 38.167 4.830 146 1HG1 VAL 18 1HG1 VAL 18 54.276 35.892 5.496 147 2HG1 VAL 18 2HG1 VAL 18 53.673 35.268 3.940 148 3HG1 VAL 18 3HG1 VAL 18 52.545 35.974 5.127 149 1HG2 VAL 18 1HG2 VAL 18 55.459 36.739 2.933 150 2HG2 VAL 18 2HG2 VAL 18 55.395 38.497 3.162 151 3HG2 VAL 18 3HG2 VAL 18 55.869 37.445 4.511 152 H LYS 19 H LYS 19 50.877 38.989 3.814 153 HA LYS 19 HA LYS 19 49.022 36.813 4.338 154 1HB LYS 19 1HB LYS 19 49.102 38.893 5.651 155 2HB LYS 19 2HB LYS 19 48.567 39.811 4.227 156 1HG LYS 19 1HG LYS 19 46.463 38.555 4.162 157 2HG LYS 19 2HG LYS 19 47.027 37.491 5.473 158 1HD LYS 19 1HD LYS 19 47.134 39.404 7.011 159 2HD LYS 19 2HD LYS 19 46.661 40.504 5.697 160 1HE LYS 19 2HE LYS 19 44.722 40.007 7.101 161 2HE LYS 19 1HE LYS 19 44.491 39.313 5.484 162 1HZ LYS 19 1HZ LYS 19 45.397 37.852 7.866 163 2HZ LYS 19 2HZ LYS 19 43.880 37.799 7.221 164 3HZ LYS 19 3HZ LYS 19 45.158 37.201 6.369 165 H GLY 20 H GLY 20 49.629 39.186 1.788 166 1HA GLY 20 2HA GLY 20 47.238 38.700 0.239 167 2HA GLY 20 1HA GLY 20 48.701 39.573 -0.265 168 H ALA 21 H ALA 21 50.663 37.604 0.159 169 HA ALA 21 HA ALA 21 50.376 35.821 -2.068 170 1HB ALA 21 1HB ALA 21 52.281 35.742 0.307 171 2HB ALA 21 2HB ALA 21 52.563 36.608 -1.221 172 3HB ALA 21 3HB ALA 21 52.460 34.834 -1.210 173 H ALA 22 H ALA 22 49.732 35.633 1.409 174 HA ALA 22 HA ALA 22 49.114 32.763 1.242 175 1HB ALA 22 1HB ALA 22 48.875 32.884 3.664 176 2HB ALA 22 2HB ALA 22 49.031 34.654 3.612 177 3HB ALA 22 3HB ALA 22 50.405 33.622 3.152 178 H GLN 23 H GLN 23 47.427 34.784 -0.228 179 HA GLN 23 HA GLN 23 44.907 34.884 1.210 180 1HB GLN 23 2HB GLN 23 45.651 36.625 -0.342 181 2HB GLN 23 1HB GLN 23 45.632 35.479 -1.693 182 1HG GLN 23 2HG GLN 23 43.212 36.186 0.023 183 2HG GLN 23 1HG GLN 23 43.641 37.012 -1.484 184 1HE2 GLN 23 2HE2 GLN 23 41.491 34.857 -0.365 185 2HE2 GLN 23 1HE2 GLN 23 41.297 33.831 -1.770 186 H GLY 24 H GLY 24 46.142 33.185 -1.731 187 1HA GLY 24 2HA GLY 24 44.781 30.723 -1.102 188 2HA GLY 24 1HA GLY 24 43.932 31.651 -2.361 189 H VAL 25 H VAL 25 47.143 30.359 -1.427 190 HA VAL 25 HA VAL 25 48.523 30.897 -3.778 191 HB VAL 25 HB VAL 25 50.051 29.122 -3.040 192 1HG1 VAL 25 1HG1 VAL 25 49.009 30.826 -0.742 193 2HG1 VAL 25 2HG1 VAL 25 50.635 30.129 -0.894 194 3HG1 VAL 25 3HG1 VAL 25 50.100 31.384 -2.033 195 1HG2 VAL 25 1HG2 VAL 25 49.627 27.943 -0.884 196 2HG2 VAL 25 2HG2 VAL 25 47.936 28.477 -0.946 197 3HG2 VAL 25 3HG2 VAL 25 48.586 27.387 -2.197 198 H LEU 26 H LEU 26 46.624 28.039 -2.880 199 HA LEU 26 HA LEU 26 46.999 26.456 -5.181 200 1HB LEU 26 1HB LEU 26 44.516 26.747 -3.455 201 2HB LEU 26 2HB LEU 26 44.883 25.389 -4.530 202 HG LEU 26 HG LEU 26 46.476 26.185 -2.050 203 1HD1 LEU 26 1HD2 LEU 26 45.576 24.094 -1.122 204 2HD1 LEU 26 2HD2 LEU 26 44.265 25.208 -1.564 205 3HD1 LEU 26 3HD2 LEU 26 44.643 23.820 -2.611 206 1HD2 LEU 26 1HD1 LEU 26 47.631 24.000 -2.421 207 2HD2 LEU 26 2HD1 LEU 26 46.803 23.848 -3.986 208 3HD2 LEU 26 3HD1 LEU 26 47.972 25.162 -3.711 209 H SER 27 H SER 27 44.772 29.180 -4.576 210 HA SER 27 HA SER 27 43.399 28.856 -7.124 211 1HB SER 27 1HB SER 27 43.363 31.134 -5.105 212 2HB SER 27 2HB SER 27 42.239 30.902 -6.459 213 HG SER 27 HG SER 27 41.649 28.904 -5.497 214 H THR 28 H THR 28 45.928 30.989 -5.736 215 HA THR 28 HA THR 28 46.071 32.787 -7.926 216 HB THR 28 HB THR 28 48.175 32.048 -5.857 217 HG1 THR 28 HG1 THR 28 47.291 33.872 -4.806 218 1HG2 THR 28 1HG2 THR 28 47.859 34.510 -7.633 219 2HG2 THR 28 2HG2 THR 28 49.036 34.337 -6.313 220 3HG2 THR 28 3HG2 THR 28 49.158 33.299 -7.746 221 H VAL 29 H VAL 29 48.098 29.917 -7.092 222 HA VAL 29 HA VAL 29 49.878 30.173 -9.254 223 HB VAL 29 HB VAL 29 50.126 28.795 -7.181 224 1HG1 VAL 29 1HG1 VAL 29 47.949 27.585 -7.298 225 2HG1 VAL 29 2HG1 VAL 29 48.565 26.667 -8.694 226 3HG1 VAL 29 3HG1 VAL 29 49.351 26.515 -7.113 227 1HG2 VAL 29 1HG2 VAL 29 50.675 27.386 -9.829 228 2HG2 VAL 29 2HG2 VAL 29 51.691 28.646 -9.091 229 3HG2 VAL 29 3HG2 VAL 29 51.501 27.074 -8.287 230 H SER 30 H SER 30 46.799 28.421 -8.965 231 HA SER 30 HA SER 30 46.850 27.336 -11.631 232 1HB SER 30 2HB SER 30 44.537 27.834 -9.701 233 2HB SER 30 1HB SER 30 44.480 26.808 -11.150 234 HG SER 30 HG SER 30 46.142 25.543 -10.199 235 H CYS 31 H CYS 31 45.268 30.160 -10.104 236 HA CYS 31 HA CYS 31 44.089 31.191 -12.500 237 1HB CYS 31 2HB CYS 31 43.420 31.757 -10.170 238 2HB CYS 31 1HB CYS 31 44.957 32.606 -9.958 239 H LYS 32 H LYS 32 47.404 30.900 -11.592 240 HA LYS 32 HA LYS 32 48.213 33.493 -12.647 241 1HB LYS 32 1HB LYS 32 49.189 32.664 -10.619 242 2HB LYS 32 2HB LYS 32 49.807 31.209 -11.435 243 1HG LYS 32 1HG LYS 32 51.431 32.372 -12.576 244 2HG LYS 32 2HG LYS 32 50.433 33.831 -12.701 245 1HD LYS 32 2HD LYS 32 52.364 34.231 -11.225 246 2HD LYS 32 1HD LYS 32 50.816 34.378 -10.369 247 1HE LYS 32 1HE LYS 32 52.516 33.161 -9.032 248 2HE LYS 32 2HE LYS 32 51.114 32.140 -9.387 249 1HZ LYS 32 1HZ LYS 32 53.173 30.995 -9.720 250 2HZ LYS 32 2HZ LYS 32 53.666 32.105 -10.836 251 3HZ LYS 32 3HZ LYS 32 52.366 31.139 -11.150 252 H LEU 33 H LEU 33 47.039 32.617 -14.639 253 HA LEU 33 HA LEU 33 48.609 31.051 -16.530 254 1HB LEU 33 2HB LEU 33 46.135 31.431 -16.617 255 2HB LEU 33 1HB LEU 33 46.420 33.119 -17.052 256 HG LEU 33 HG LEU 33 47.443 30.721 -18.650 257 1HD1 LEU 33 1HD2 LEU 33 44.958 32.432 -19.068 258 2HD1 LEU 33 2HD2 LEU 33 44.979 30.735 -18.536 259 3HD1 LEU 33 3HD2 LEU 33 45.545 31.159 -20.164 260 1HD2 LEU 33 1HD1 LEU 33 47.203 33.693 -19.308 261 2HD2 LEU 33 2HD1 LEU 33 48.700 32.733 -19.229 262 3HD2 LEU 33 3HD1 LEU 33 47.526 32.427 -20.510 263 H ALA 34 H ALA 34 47.823 34.535 -16.138 264 HA ALA 34 HA ALA 34 50.649 35.243 -16.581 265 1HB ALA 34 1HB ALA 34 49.604 35.451 -18.813 266 2HB ALA 34 2HB ALA 34 48.341 36.498 -18.128 267 3HB ALA 34 3HB ALA 34 50.036 37.042 -18.154 268 H LYS 35 H LYS 35 49.438 35.008 -14.183 269 HA LYS 35 HA LYS 35 48.685 35.995 -12.308 270 1HB LYS 35 1HB LYS 35 50.297 38.308 -13.447 271 2HB LYS 35 2HB LYS 35 49.741 38.169 -11.776 272 1HG LYS 35 2HG LYS 35 51.554 36.149 -13.149 273 2HG LYS 35 1HG LYS 35 52.166 37.503 -12.199 274 1HD LYS 35 1HD LYS 35 50.239 35.520 -10.937 275 2HD LYS 35 2HD LYS 35 51.953 35.151 -11.122 276 1HE LYS 35 1HE LYS 35 51.604 36.025 -8.927 277 2HE LYS 35 2HE LYS 35 52.572 37.178 -9.860 278 1HZ LYS 35 1HZ LYS 35 50.637 38.502 -10.145 279 2HZ LYS 35 2HZ LYS 35 50.836 38.192 -8.542 280 3HZ LYS 35 3HZ LYS 35 49.679 37.385 -9.396 281 H THR 36 H THR 36 46.604 35.850 -13.832 282 HA THR 36 HA THR 36 45.314 38.407 -14.311 283 HB THR 36 HB THR 36 43.290 37.020 -14.619 284 HG1 THR 36 HG1 THR 36 43.566 34.756 -14.491 285 1HG2 THR 36 1HG2 THR 36 44.879 37.369 -16.494 286 2HG2 THR 36 2HG2 THR 36 44.084 35.783 -16.586 287 3HG2 THR 36 3HG2 THR 36 45.762 35.899 -16.017 288 H CYS 37 H CYS 37 45.519 36.040 -11.654 289 HA CYS 37 HA CYS 37 43.787 37.694 -9.913 290 1HB CYS 37 2HB CYS 37 45.358 35.142 -9.437 291 2HB CYS 37 1HB CYS 37 44.470 36.028 -8.193 292 HXT CYS 37 HO OH 38 47.794 37.868 -9.153 Start of MODEL 15 1 1H GLY 1 1H GLY 1 66.665 54.542 14.909 2 2H GLY 1 2H GLY 1 67.013 55.204 16.379 3 3H GLY 1 3H GLY 1 66.787 56.179 15.068 4 1HA GLY 1 2HA GLY 1 64.754 54.483 16.328 5 2HA GLY 1 1HA GLY 1 64.879 56.243 16.499 6 H ILE 2 H ILE 2 64.864 57.502 14.374 7 HA ILE 2 HA ILE 2 62.530 56.911 12.899 8 HB ILE 2 HB ILE 2 63.817 59.107 13.397 9 1HG1 ILE 2 2HG1 ILE 2 61.714 59.141 12.333 10 2HG1 ILE 2 1HG1 ILE 2 62.807 60.271 11.526 11 1HG2 ILE 2 1HG2 ILE 2 65.213 59.972 11.609 12 2HG2 ILE 2 2HG2 ILE 2 65.931 58.517 12.322 13 3HG2 ILE 2 3HG2 ILE 2 65.129 58.431 10.736 14 1HD1 ILE 2 1HD1 ILE 2 63.154 58.502 9.721 15 2HD1 ILE 2 2HD1 ILE 2 61.833 57.586 10.497 16 3HD1 ILE 2 3HD1 ILE 2 61.524 59.191 9.830 17 H LEU 3 H LEU 3 65.986 56.235 12.334 18 HA LEU 3 HA LEU 3 65.619 55.260 9.640 19 1HB LEU 3 1HB LEU 3 67.863 54.833 11.651 20 2HB LEU 3 2HB LEU 3 67.941 54.451 9.925 21 HG LEU 3 HG LEU 3 67.570 57.240 11.113 22 1HD1 LEU 3 1HD1 LEU 3 69.951 55.929 9.742 23 2HD1 LEU 3 2HD1 LEU 3 69.816 56.288 11.479 24 3HD1 LEU 3 3HD1 LEU 3 69.862 57.615 10.299 25 1HD2 LEU 3 1HD2 LEU 3 68.012 57.997 8.771 26 2HD2 LEU 3 2HD2 LEU 3 66.487 57.110 8.910 27 3HD2 LEU 3 3HD2 LEU 3 67.921 56.307 8.228 28 H ASP 4 H ASP 4 64.817 53.900 12.683 29 HA ASP 4 HA ASP 4 65.067 51.112 11.713 30 1HB ASP 4 1HB ASP 4 65.809 51.644 14.024 31 2HB ASP 4 2HB ASP 4 64.185 52.235 14.405 32 HD2 ASP 4 HD2 ASP 4 62.493 50.765 14.390 33 H THR 5 H THR 5 62.953 53.870 12.251 34 HA THR 5 HA THR 5 60.541 52.423 12.376 35 HB THR 5 HB THR 5 60.989 55.324 11.575 36 HG1 THR 5 HG1 THR 5 60.538 55.647 13.788 37 1HG2 THR 5 1HG2 THR 5 58.729 54.555 10.966 38 2HG2 THR 5 2HG2 THR 5 58.663 55.629 12.376 39 3HG2 THR 5 3HG2 THR 5 58.512 53.872 12.595 40 H LEU 6 H LEU 6 62.298 54.047 9.715 41 HA LEU 6 HA LEU 6 60.461 53.627 7.613 42 1HB LEU 6 2HB LEU 6 63.503 53.702 7.606 43 2HB LEU 6 1HB LEU 6 62.468 53.897 6.186 44 HG LEU 6 HG LEU 6 62.508 55.769 8.597 45 1HD1 LEU 6 1HD1 LEU 6 64.587 55.848 7.271 46 2HD1 LEU 6 2HD1 LEU 6 63.636 56.097 5.789 47 3HD1 LEU 6 3HD1 LEU 6 63.633 57.332 7.069 48 1HD2 LEU 6 1HD2 LEU 6 61.200 57.271 7.094 49 2HD2 LEU 6 2HD2 LEU 6 61.083 55.956 5.905 50 3HD2 LEU 6 3HD2 LEU 6 60.308 55.797 7.500 51 H LYS 7 H LYS 7 63.151 51.575 8.864 52 HA LYS 7 HA LYS 7 62.929 49.481 6.992 53 1HB LYS 7 2HB LYS 7 64.824 49.931 8.483 54 2HB LYS 7 1HB LYS 7 63.841 49.470 9.888 55 1HG LYS 7 1HG LYS 7 63.602 47.191 9.009 56 2HG LYS 7 2HG LYS 7 64.460 47.654 7.515 57 1HD LYS 7 2HD LYS 7 66.455 48.236 8.821 58 2HD LYS 7 1HD LYS 7 65.607 47.818 10.328 59 1HE LYS 7 2HE LYS 7 65.365 45.474 9.538 60 2HE LYS 7 1HE LYS 7 66.211 45.894 8.033 61 1HZ LYS 7 1HZ LYS 7 67.340 46.056 10.737 62 2HZ LYS 7 2HZ LYS 7 67.666 44.887 9.620 63 3HZ LYS 7 3HZ LYS 7 68.126 46.445 9.340 64 H GLN 8 H GLN 8 61.476 49.929 10.258 65 HA GLN 8 HA GLN 8 60.049 47.497 10.374 66 1HB GLN 8 2HB GLN 8 60.588 49.061 12.241 67 2HB GLN 8 1HB GLN 8 59.363 50.186 11.648 68 1HG GLN 8 2HG GLN 8 58.847 47.294 12.475 69 2HG GLN 8 1HG GLN 8 58.632 48.696 13.536 70 1HE2 GLN 8 2HE2 GLN 8 57.277 50.563 12.325 71 2HE2 GLN 8 1HE2 GLN 8 55.764 49.991 11.656 72 H PHE 9 H PHE 9 59.024 50.797 9.382 73 HA PHE 9 HA PHE 9 56.385 50.168 8.614 74 1HB PHE 9 2HB PHE 9 57.199 52.445 8.929 75 2HB PHE 9 1HB PHE 9 58.306 52.274 7.563 76 HD1 PHE 9 HD1 PHE 9 57.564 52.622 5.313 77 HD2 PHE 9 HD2 PHE 9 54.695 52.372 8.513 78 HE1 PHE 9 HE1 PHE 9 55.772 53.357 3.766 79 HE2 PHE 9 HE2 PHE 9 52.905 53.108 6.961 80 HZ PHE 9 HZ PHE 9 53.442 53.600 4.587 81 H ALA 10 H ALA 10 59.389 50.318 6.624 82 HA ALA 10 HA ALA 10 58.203 49.447 4.189 83 1HB ALA 10 1HB ALA 10 61.061 49.156 5.201 84 2HB ALA 10 2HB ALA 10 60.527 48.983 3.514 85 3HB ALA 10 3HB ALA 10 60.396 50.557 4.328 86 H LYS 11 H LYS 11 59.479 47.696 7.016 87 HA LYS 11 HA LYS 11 59.281 45.083 5.777 88 1HB LYS 11 2HB LYS 11 60.825 45.703 7.679 89 2HB LYS 11 1HB LYS 11 59.402 45.841 8.723 90 1HG LYS 11 1HG LYS 11 60.456 43.681 9.034 91 2HG LYS 11 2HG LYS 11 58.873 43.437 8.275 92 1HD LYS 11 1HD LYS 11 59.938 43.113 6.084 93 2HD LYS 11 2HD LYS 11 61.515 43.585 6.752 94 1HE LYS 11 1HE LYS 11 61.398 41.164 6.528 95 2HE LYS 11 2HE LYS 11 61.470 41.605 8.245 96 1HZ LYS 11 1HZ LYS 11 59.038 40.907 6.754 97 2HZ LYS 11 2HZ LYS 11 59.840 39.922 7.805 98 3HZ LYS 11 3HZ LYS 11 59.111 41.294 8.355 99 H GLY 12 H GLY 12 57.158 47.255 7.603 100 1HA GLY 12 1HA GLY 12 55.041 45.269 7.873 101 2HA GLY 12 2HA GLY 12 54.929 47.015 8.240 102 H VAL 13 H VAL 13 55.994 47.763 5.534 103 HA VAL 13 HA VAL 13 53.806 46.827 3.784 104 HB VAL 13 HB VAL 13 56.093 48.771 3.256 105 1HG1 VAL 13 1HG2 VAL 13 54.603 49.590 1.419 106 2HG1 VAL 13 2HG2 VAL 13 55.098 47.915 1.154 107 3HG1 VAL 13 3HG2 VAL 13 53.471 48.266 1.780 108 1HG2 VAL 13 1HG1 VAL 13 54.377 50.568 3.529 109 2HG2 VAL 13 2HG1 VAL 13 53.198 49.343 4.044 110 3HG2 VAL 13 3HG1 VAL 13 54.630 49.682 5.038 111 H GLY 14 H GLY 14 55.348 44.945 4.889 112 1HA GLY 14 2HA GLY 14 56.501 43.652 2.496 113 2HA GLY 14 1HA GLY 14 57.437 43.647 4.007 114 H LYS 15 H LYS 15 55.082 43.676 5.737 115 HA LYS 15 HA LYS 15 54.295 40.884 5.811 116 1HB LYS 15 2HB LYS 15 53.186 43.334 7.227 117 2HB LYS 15 1HB LYS 15 52.820 41.639 7.605 118 1HG LYS 15 1HG LYS 15 55.532 43.019 7.874 119 2HG LYS 15 2HG LYS 15 54.468 42.454 9.177 120 1HD LYS 15 2HD LYS 15 54.685 40.122 8.163 121 2HD LYS 15 1HD LYS 15 55.977 40.774 7.136 122 1HE LYS 15 1HE LYS 15 57.211 41.503 9.171 123 2HE LYS 15 2HE LYS 15 55.929 40.813 10.187 124 1HZ LYS 15 1HZ LYS 15 57.768 39.328 9.955 125 2HZ LYS 15 2HZ LYS 15 57.611 39.310 8.313 126 3HZ LYS 15 3HZ LYS 15 56.420 38.677 9.262 127 H ASP 16 H ASP 16 52.893 44.004 4.781 128 HA ASP 16 HA ASP 16 50.322 43.039 3.997 129 1HB ASP 16 1HB ASP 16 50.906 45.411 4.422 130 2HB ASP 16 2HB ASP 16 51.956 45.406 2.995 131 HD2 ASP 16 HD2 ASP 16 49.337 45.709 0.716 132 H LEU 17 H LEU 17 53.514 42.827 2.566 133 HA LEU 17 HA LEU 17 52.512 42.245 -0.146 134 1HB LEU 17 1HB LEU 17 55.338 42.323 0.971 135 2HB LEU 17 2HB LEU 17 54.858 42.228 -0.723 136 HG LEU 17 HG LEU 17 54.414 44.596 1.143 137 1HD1 LEU 17 1HD1 LEU 17 55.939 45.741 -0.420 138 2HD1 LEU 17 2HD1 LEU 17 56.086 44.256 -1.386 139 3HD1 LEU 17 3HD1 LEU 17 56.726 44.305 0.271 140 1HD2 LEU 17 1HD2 LEU 17 52.489 44.446 -0.367 141 2HD2 LEU 17 2HD2 LEU 17 53.569 44.199 -1.761 142 3HD2 LEU 17 3HD2 LEU 17 53.556 45.754 -0.900 143 H VAL 18 H VAL 18 54.187 40.807 2.682 144 HA VAL 18 HA VAL 18 54.321 38.163 1.507 145 HB VAL 18 HB VAL 18 54.517 39.218 4.342 146 1HG1 VAL 18 1HG2 VAL 18 54.693 36.328 3.393 147 2HG1 VAL 18 2HG2 VAL 18 55.226 36.913 4.984 148 3HG1 VAL 18 3HG2 VAL 18 53.513 36.997 4.547 149 1HG2 VAL 18 1HG1 VAL 18 56.506 37.810 2.501 150 2HG2 VAL 18 2HG1 VAL 18 56.852 38.495 4.104 151 3HG2 VAL 18 3HG1 VAL 18 56.443 39.565 2.748 152 H LYS 19 H LYS 19 51.912 40.162 3.099 153 HA LYS 19 HA LYS 19 50.011 38.024 3.624 154 1HB LYS 19 1HB LYS 19 50.029 40.156 4.876 155 2HB LYS 19 2HB LYS 19 49.647 41.033 3.384 156 1HG LYS 19 2HG LYS 19 47.646 40.703 4.747 157 2HG LYS 19 1HG LYS 19 47.492 39.838 3.209 158 1HD LYS 19 1HD LYS 19 48.150 37.725 4.328 159 2HD LYS 19 2HD LYS 19 48.317 38.586 5.872 160 1HE LYS 19 1HE LYS 19 45.747 38.360 4.241 161 2HE LYS 19 2HE LYS 19 46.153 37.370 5.656 162 1HZ LYS 19 1HZ LYS 19 45.829 40.284 5.651 163 2HZ LYS 19 2HZ LYS 19 46.235 39.363 6.959 164 3HZ LYS 19 3HZ LYS 19 44.758 39.184 6.249 165 H GLY 20 H GLY 20 50.759 40.298 1.023 166 1HA GLY 20 1HA GLY 20 48.438 39.766 -0.616 167 2HA GLY 20 2HA GLY 20 49.928 40.613 -1.085 168 H ALA 21 H ALA 21 51.863 38.667 -0.508 169 HA ALA 21 HA ALA 21 51.675 36.798 -2.670 170 1HB ALA 21 1HB ALA 21 53.451 36.790 -0.197 171 2HB ALA 21 2HB ALA 21 53.820 37.605 -1.735 172 3HB ALA 21 3HB ALA 21 53.704 35.832 -1.672 173 H ALA 22 H ALA 22 50.858 36.734 0.775 174 HA ALA 22 HA ALA 22 50.198 33.870 0.659 175 1HB ALA 22 1HB ALA 22 51.409 34.755 2.610 176 2HB ALA 22 2HB ALA 22 49.841 34.062 3.063 177 3HB ALA 22 3HB ALA 22 50.035 35.826 2.972 178 H GLN 23 H GLN 23 48.627 35.920 -0.926 179 HA GLN 23 HA GLN 23 46.032 36.053 0.385 180 1HB GLN 23 1HB GLN 23 46.821 37.792 -1.161 181 2HB GLN 23 2HB GLN 23 46.887 36.616 -2.488 182 1HG GLN 23 2HG GLN 23 44.453 36.224 -2.261 183 2HG GLN 23 1HG GLN 23 44.398 37.361 -0.899 184 1HE2 GLN 23 1HE2 GLN 23 45.305 39.632 -1.416 185 2HE2 GLN 23 2HE2 GLN 23 44.866 40.304 -2.971 186 H GLY 24 H GLY 24 47.222 34.497 -2.642 187 1HA GLY 24 2HA GLY 24 46.221 31.904 -1.989 188 2HA GLY 24 1HA GLY 24 45.085 32.738 -3.075 189 H VAL 25 H VAL 25 48.673 32.852 -2.841 190 HA VAL 25 HA VAL 25 49.041 32.842 -5.650 191 HB VAL 25 HB VAL 25 50.594 33.783 -4.009 192 1HG1 VAL 25 1HG1 VAL 25 50.507 31.962 -2.301 193 2HG1 VAL 25 2HG1 VAL 25 51.469 30.937 -3.395 194 3HG1 VAL 25 3HG1 VAL 25 52.154 32.440 -2.754 195 1HG2 VAL 25 1HG2 VAL 25 52.663 33.086 -5.133 196 2HG2 VAL 25 2HG2 VAL 25 51.341 33.249 -6.307 197 3HG2 VAL 25 3HG2 VAL 25 51.856 31.635 -5.766 198 H LEU 26 H LEU 26 49.196 30.303 -3.177 199 HA LEU 26 HA LEU 26 49.976 28.115 -4.802 200 1HB LEU 26 2HB LEU 26 48.163 28.186 -2.359 201 2HB LEU 26 1HB LEU 26 48.983 26.757 -3.004 202 HG LEU 26 HG LEU 26 50.358 29.229 -1.855 203 1HD1 LEU 26 1HD2 LEU 26 50.042 26.403 -0.770 204 2HD1 LEU 26 2HD2 LEU 26 49.201 27.850 -0.170 205 3HD1 LEU 26 3HD2 LEU 26 50.965 27.720 -0.011 206 1HD2 LEU 26 1HD1 LEU 26 51.779 28.195 -3.574 207 2HD2 LEU 26 2HD1 LEU 26 52.408 27.806 -1.967 208 3HD2 LEU 26 3HD1 LEU 26 51.491 26.584 -2.873 209 H SER 27 H SER 27 46.768 29.551 -4.097 210 HA SER 27 HA SER 27 45.274 27.569 -5.562 211 1HB SER 27 2HB SER 27 44.546 30.420 -4.774 212 2HB SER 27 1HB SER 27 43.426 29.150 -5.307 213 HG SER 27 HG SER 27 43.558 29.321 -3.027 214 H THR 28 H THR 28 46.678 30.785 -6.366 215 HA THR 28 HA THR 28 45.476 30.849 -8.969 216 HB THR 28 HB THR 28 47.852 32.447 -7.980 217 HG1 THR 28 HG1 THR 28 45.995 32.628 -6.653 218 1HG2 THR 28 1HG2 THR 28 47.576 32.689 -10.401 219 2HG2 THR 28 2HG2 THR 28 45.813 32.788 -10.234 220 3HG2 THR 28 3HG2 THR 28 46.842 34.106 -9.643 221 H VAL 29 H VAL 29 47.976 28.848 -7.828 222 HA VAL 29 HA VAL 29 49.381 28.577 -10.353 223 HB VAL 29 HB VAL 29 48.899 26.570 -8.109 224 1HG1 VAL 29 1HG2 VAL 29 50.880 25.415 -9.070 225 2HG1 VAL 29 2HG2 VAL 29 49.520 25.444 -10.206 226 3HG1 VAL 29 3HG2 VAL 29 50.884 26.567 -10.423 227 1HG2 VAL 29 1HG1 VAL 29 51.210 27.161 -7.425 228 2HG2 VAL 29 2HG1 VAL 29 50.140 28.572 -7.337 229 3HG2 VAL 29 3HG1 VAL 29 51.270 28.400 -8.699 230 H SER 30 H SER 30 46.415 27.265 -8.882 231 HA SER 30 HA SER 30 45.761 25.655 -11.215 232 1HB SER 30 1HB SER 30 45.016 24.983 -8.966 233 2HB SER 30 2HB SER 30 44.142 26.514 -8.766 234 HG SER 30 HG SER 30 43.652 24.542 -10.756 235 H CYS 31 H CYS 31 44.132 28.509 -9.714 236 HA CYS 31 HA CYS 31 42.864 29.125 -12.270 237 1HB CYS 31 2HB CYS 31 42.012 31.117 -11.091 238 2HB CYS 31 1HB CYS 31 41.529 29.566 -10.457 239 H LYS 32 H LYS 32 45.806 29.030 -12.526 240 HA LYS 32 HA LYS 32 46.676 31.788 -12.651 241 1HB LYS 32 2HB LYS 32 48.137 30.003 -11.941 242 2HB LYS 32 1HB LYS 32 47.778 29.079 -13.405 243 1HG LYS 32 1HG LYS 32 49.956 30.016 -13.636 244 2HG LYS 32 2HG LYS 32 48.880 30.768 -14.806 245 1HD LYS 32 2HD LYS 32 49.932 32.650 -14.079 246 2HD LYS 32 1HD LYS 32 48.666 32.626 -12.848 247 1HE LYS 32 2HE LYS 32 51.510 31.537 -12.591 248 2HE LYS 32 1HE LYS 32 50.892 33.038 -11.879 249 1HZ LYS 32 1HZ LYS 32 49.376 31.712 -10.583 250 2HZ LYS 32 2HZ LYS 32 50.946 31.301 -10.286 251 3HZ LYS 32 3HZ LYS 32 50.002 30.327 -11.221 252 H LEU 33 H LEU 33 46.088 29.194 -15.046 253 HA LEU 33 HA LEU 33 47.705 29.674 -16.881 254 1HB LEU 33 2HB LEU 33 45.779 28.082 -16.924 255 2HB LEU 33 1HB LEU 33 44.821 29.295 -17.773 256 HG LEU 33 HG LEU 33 47.494 28.158 -18.738 257 1HD1 LEU 33 1HD2 LEU 33 45.746 26.426 -18.590 258 2HD1 LEU 33 2HD2 LEU 33 44.644 27.447 -19.542 259 3HD1 LEU 33 3HD2 LEU 33 46.128 26.806 -20.281 260 1HD2 LEU 33 1HD1 LEU 33 45.377 29.855 -20.137 261 2HD2 LEU 33 2HD1 LEU 33 47.075 30.300 -19.831 262 3HD2 LEU 33 3HD1 LEU 33 46.695 29.009 -20.972 263 H ALA 34 H ALA 34 44.625 31.269 -17.699 264 HA ALA 34 HA ALA 34 46.108 33.744 -18.490 265 1HB ALA 34 1HB ALA 34 43.817 32.403 -19.990 266 2HB ALA 34 2HB ALA 34 45.507 32.504 -20.533 267 3HB ALA 34 3HB ALA 34 44.537 33.984 -20.381 268 H LYS 35 H LYS 35 45.392 33.733 -16.043 269 HA LYS 35 HA LYS 35 42.649 34.755 -15.737 270 1HB LYS 35 2HB LYS 35 44.037 32.654 -14.069 271 2HB LYS 35 1HB LYS 35 42.381 33.255 -13.855 272 1HG LYS 35 2HG LYS 35 41.787 32.285 -16.090 273 2HG LYS 35 1HG LYS 35 43.450 31.685 -16.241 274 1HD LYS 35 1HD LYS 35 42.157 29.861 -15.490 275 2HD LYS 35 2HD LYS 35 43.175 30.399 -14.129 276 1HE LYS 35 1HE LYS 35 41.252 31.460 -13.069 277 2HE LYS 35 2HE LYS 35 40.300 31.363 -14.563 278 1HZ LYS 35 1HZ LYS 35 41.120 29.068 -12.943 279 2HZ LYS 35 2HZ LYS 35 40.254 29.010 -14.344 280 3HZ LYS 35 3HZ LYS 35 39.616 29.735 -13.008 281 H THR 36 H THR 36 45.556 33.937 -13.834 282 HA THR 36 HA THR 36 46.456 34.838 -12.000 283 HB THR 36 HB THR 36 45.177 37.534 -12.561 284 HG1 THR 36 HG1 THR 36 46.186 36.813 -14.460 285 1HG2 THR 36 1HG2 THR 36 46.423 37.305 -10.429 286 2HG2 THR 36 2HG2 THR 36 47.310 38.328 -11.572 287 3HG2 THR 36 3HG2 THR 36 47.816 36.645 -11.316 288 H CYS 37 H CYS 37 43.491 33.941 -12.500 289 HA CYS 37 HA CYS 37 41.851 33.252 -11.179 290 1HB CYS 37 2HB CYS 37 43.857 33.264 -9.469 291 2HB CYS 37 1HB CYS 37 42.952 34.583 -8.721 292 HXT CYS 37 HO OH 38 41.106 37.105 -10.106
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