NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504669 | 2eml | 10303 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -5.739 -29.424 6.036 2 HA2 GLY 1 1HA GLY 1 -4.346 -29.156 7.900 3 HA3 GLY 1 2HA GLY 1 -3.548 -27.820 7.084 4 H SER 2 H SER 2 -3.745 -26.847 9.261 5 HA SER 2 HA SER 2 -6.262 -25.356 9.438 6 HB2 SER 2 1HB SER 2 -6.590 -27.029 11.102 7 HB3 SER 2 2HB SER 2 -4.935 -26.870 11.689 8 HG SER 2 HG SER 2 -5.474 -25.130 12.790 9 H SER 3 H SER 3 -5.960 -23.236 9.695 10 HA SER 3 HA SER 3 -3.275 -22.315 10.489 11 HB2 SER 3 1HB SER 3 -3.598 -21.675 8.227 12 HB3 SER 3 2HB SER 3 -5.261 -21.168 8.527 13 HG SER 3 HG SER 3 -3.951 -19.352 8.421 14 H GLY 4 H GLY 4 -6.693 -21.286 10.474 15 HA2 GLY 4 1HA GLY 4 -7.866 -20.611 12.426 16 HA3 GLY 4 2HA GLY 4 -6.325 -20.282 13.205 17 H SER 5 H SER 5 -7.639 -19.203 10.082 18 HA SER 5 HA SER 5 -8.240 -16.577 10.913 19 HB2 SER 5 1HB SER 5 -5.460 -17.102 9.986 20 HB3 SER 5 2HB SER 5 -6.246 -15.636 9.400 21 HG SER 5 HG SER 5 -6.787 -15.459 11.823 22 H SER 6 H SER 6 -9.744 -15.952 9.526 23 HA SER 6 HA SER 6 -9.603 -16.944 6.756 24 HB2 SER 6 1HB SER 6 -11.863 -16.513 8.645 25 HB3 SER 6 2HB SER 6 -12.164 -16.193 6.937 26 HG SER 6 HG SER 6 -11.459 -18.316 6.490 27 H GLY 7 H GLY 7 -8.126 -14.681 7.488 28 HA2 GLY 7 1HA GLY 7 -7.792 -12.466 6.959 29 HA3 GLY 7 2HA GLY 7 -8.687 -12.873 5.503 30 H THR 8 H THR 8 -8.903 -11.540 8.732 31 HA THR 8 HA THR 8 -11.640 -10.627 8.176 32 HB THR 8 HB THR 8 -10.181 -10.519 10.820 33 HG1 THR 8 HG1 THR 8 -11.561 -12.380 11.282 34 HG21 THR 8 3HG2 THR 8 -11.919 -9.207 11.345 35 HG22 THR 8 1HG2 THR 8 -12.899 -10.671 11.270 36 HG23 THR 8 2HG2 THR 8 -12.781 -9.615 9.862 37 H GLY 9 H GLY 9 -9.540 -9.353 6.814 38 HA2 GLY 9 1HA GLY 9 -9.906 -6.641 7.822 39 HA3 GLY 9 2HA GLY 9 -8.247 -7.207 7.692 40 H GLU 10 H GLU 10 -8.721 -8.794 5.309 41 HA GLU 10 HA GLU 10 -7.890 -7.257 3.297 42 HB2 GLU 10 1HB GLU 10 -8.815 -8.799 1.726 43 HB3 GLU 10 2HB GLU 10 -8.409 -9.711 3.172 44 HG2 GLU 10 1HG GLU 10 -10.747 -9.674 3.861 45 HG3 GLU 10 2HG GLU 10 -11.159 -8.747 2.420 46 H LYS 11 H LYS 11 -8.599 -5.697 1.947 47 HA LYS 11 HA LYS 11 -11.448 -5.009 1.948 48 HB2 LYS 11 1HB LYS 11 -9.176 -3.279 2.813 49 HB3 LYS 11 2HB LYS 11 -10.498 -2.531 1.927 50 HG2 LYS 11 1HG LYS 11 -10.994 -4.231 4.344 51 HG3 LYS 11 2HG LYS 11 -10.607 -2.514 4.475 52 HD2 LYS 11 1HD LYS 11 -12.529 -1.968 3.068 53 HD3 LYS 11 2HD LYS 11 -12.909 -3.685 2.911 54 HE2 LYS 11 1HE LYS 11 -14.341 -2.730 4.584 55 HE3 LYS 11 2HE LYS 11 -13.180 -3.793 5.377 56 HZ1 LYS 11 3HZ LYS 11 -12.181 -1.141 5.215 57 HZ2 LYS 11 1HZ LYS 11 -12.428 -2.109 6.581 58 HZ3 LYS 11 2HZ LYS 11 -13.690 -1.157 5.980 59 HA PRO 12 HA PRO 12 -10.987 -4.381 -2.370 60 HB2 PRO 12 1HB PRO 12 -12.628 -2.269 -2.833 61 HB3 PRO 12 2HB PRO 12 -13.229 -3.885 -2.442 62 HG2 PRO 12 1HG PRO 12 -12.894 -1.505 -0.657 63 HG3 PRO 12 2HG PRO 12 -14.241 -2.654 -0.748 64 HD2 PRO 12 1HD PRO 12 -12.329 -2.798 1.164 65 HD3 PRO 12 2HD PRO 12 -13.139 -4.237 0.515 66 H TYR 13 H TYR 13 -9.761 -2.197 -0.176 67 HA TYR 13 HA TYR 13 -8.320 -0.776 -2.301 68 HB2 TYR 13 1HB TYR 13 -9.330 0.606 0.186 69 HB3 TYR 13 2HB TYR 13 -8.559 1.344 -1.213 70 HD1 TYR 13 HD2 TYR 13 -9.797 1.402 -3.398 71 HD2 TYR 13 HD1 TYR 13 -11.666 0.234 0.242 72 HE1 TYR 13 HE2 TYR 13 -12.004 1.792 -4.412 73 HE2 TYR 13 HE1 TYR 13 -13.878 0.620 -0.763 74 HH TYR 13 HH TYR 13 -14.631 0.629 -3.602 75 H GLU 14 H GLU 14 -6.302 -1.495 -2.057 76 HA GLU 14 HA GLU 14 -5.045 -1.201 0.572 77 HB2 GLU 14 1HB GLU 14 -5.674 -3.571 0.350 78 HB3 GLU 14 2HB GLU 14 -4.780 -3.664 -1.161 79 HG2 GLU 14 1HG GLU 14 -2.776 -2.867 0.294 80 HG3 GLU 14 2HG GLU 14 -3.761 -3.456 1.632 81 H CYS 15 H CYS 15 -3.208 -0.100 0.433 82 HA CYS 15 HA CYS 15 -2.181 0.798 -2.044 83 HB2 CYS 15 1HB CYS 15 -2.009 1.792 0.400 84 HB3 CYS 15 2HB CYS 15 -0.507 0.873 0.430 85 H SER 16 H SER 16 -0.133 0.391 -2.997 86 HA SER 16 HA SER 16 0.914 -2.299 -2.402 87 HB2 SER 16 1HB SER 16 -0.222 -1.662 -4.708 88 HB3 SER 16 2HB SER 16 1.375 -0.996 -5.053 89 HG SER 16 HG SER 16 2.192 -3.118 -4.411 90 H VAL 17 H VAL 17 1.841 0.937 -3.536 91 HA VAL 17 HA VAL 17 4.550 0.737 -3.704 92 HB VAL 17 HB VAL 17 4.562 3.129 -2.670 93 HG11 VAL 17 1HG1 VAL 17 4.546 3.758 -4.804 94 HG12 VAL 17 2HG1 VAL 17 4.080 2.106 -5.211 95 HG13 VAL 17 3HG1 VAL 17 2.842 3.342 -4.982 96 HG21 VAL 17 3HG2 VAL 17 1.602 2.785 -3.126 97 HG22 VAL 17 1HG2 VAL 17 2.365 2.807 -1.536 98 HG23 VAL 17 2HG2 VAL 17 2.437 4.235 -2.569 99 H CYS 18 H CYS 18 2.647 1.101 -0.742 100 HA CYS 18 HA CYS 18 5.087 0.527 0.810 101 HB2 CYS 18 1HB CYS 18 4.220 1.806 2.620 102 HB3 CYS 18 2HB CYS 18 3.995 2.784 1.173 103 H GLY 19 H GLY 19 1.722 -0.259 0.268 104 HA2 GLY 19 1HA GLY 19 0.803 -2.403 0.603 105 HA3 GLY 19 2HA GLY 19 2.123 -2.772 1.703 106 H LYS 20 H LYS 20 -0.772 -0.738 1.402 107 HA LYS 20 HA LYS 20 -1.273 -1.200 4.263 108 HB2 LYS 20 1HB LYS 20 -0.384 1.149 3.633 109 HB3 LYS 20 2HB LYS 20 -1.980 1.405 2.940 110 HG2 LYS 20 1HG LYS 20 -3.033 1.299 5.007 111 HG3 LYS 20 2HG LYS 20 -1.672 0.470 5.766 112 HD2 LYS 20 1HD LYS 20 -1.453 3.275 4.703 113 HD3 LYS 20 2HD LYS 20 -2.002 2.931 6.345 114 HE2 LYS 20 1HE LYS 20 0.609 1.954 5.201 115 HE3 LYS 20 2HE LYS 20 0.441 3.439 6.136 116 HZ1 LYS 20 3HZ LYS 20 -0.776 1.345 7.549 117 HZ2 LYS 20 1HZ LYS 20 0.581 2.257 7.985 118 HZ3 LYS 20 2HZ LYS 20 0.770 0.836 7.087 119 H ALA 21 H ALA 21 -3.593 -0.692 4.844 120 HA ALA 21 HA ALA 21 -5.393 -1.382 2.615 121 HB1 ALA 21 3HB ALA 21 -4.793 -2.986 4.824 122 HB2 ALA 21 1HB ALA 21 -6.399 -2.328 5.138 123 HB3 ALA 21 2HB ALA 21 -6.087 -3.221 3.649 124 H PHE 22 H PHE 22 -7.564 -0.626 2.796 125 HA PHE 22 HA PHE 22 -8.191 1.273 4.898 126 HB2 PHE 22 1HB PHE 22 -8.232 2.169 2.013 127 HB3 PHE 22 2HB PHE 22 -8.589 3.143 3.435 128 HD1 PHE 22 HD1 PHE 22 -5.899 1.384 1.618 129 HD2 PHE 22 HD2 PHE 22 -6.874 4.215 4.644 130 HE1 PHE 22 HE1 PHE 22 -3.539 2.068 1.734 131 HE2 PHE 22 HE2 PHE 22 -4.515 4.904 4.764 132 HZ PHE 22 HZ PHE 22 -2.844 3.831 3.308 133 H SER 23 H SER 23 -10.444 2.242 4.469 134 HA SER 23 HA SER 23 -12.182 0.023 3.706 135 HB2 SER 23 1HB SER 23 -13.910 1.820 4.693 136 HB3 SER 23 2HB SER 23 -12.979 0.739 5.729 137 HG SER 23 HG SER 23 -12.661 3.475 5.257 138 H HIS 24 H HIS 24 -11.897 3.522 3.114 139 HA HIS 24 HA HIS 24 -13.518 3.168 0.683 140 HB2 HIS 24 1HB HIS 24 -13.988 4.909 2.681 141 HB3 HIS 24 2HB HIS 24 -12.926 5.898 1.684 142 HD1 HIS 24 HD1 HIS 24 -13.939 6.974 -0.341 143 HD2 HIS 24 HD2 HIS 24 -16.396 4.061 1.312 144 HE1 HIS 24 HE1 HIS 24 -16.124 7.161 -1.571 145 H ARG 25 H ARG 25 -12.869 4.242 -1.251 146 HA ARG 25 HA ARG 25 -10.129 3.992 -1.838 147 HB2 ARG 25 1HB ARG 25 -12.221 3.959 -3.401 148 HB3 ARG 25 2HB ARG 25 -11.961 5.696 -3.490 149 HG2 ARG 25 1HG ARG 25 -9.860 5.439 -4.509 150 HG3 ARG 25 2HG ARG 25 -9.783 3.725 -4.095 151 HD2 ARG 25 1HD ARG 25 -11.813 3.413 -5.571 152 HD3 ARG 25 2HD ARG 25 -11.552 5.066 -6.126 153 HE ARG 25 HE ARG 25 -10.107 2.750 -6.926 154 HH11 ARG 25 1HH1 ARG 25 -9.786 6.165 -6.330 155 HH12 ARG 25 2HH1 ARG 25 -8.456 6.364 -7.422 156 HH21 ARG 25 1HH2 ARG 25 -8.356 2.999 -8.368 157 HH22 ARG 25 2HH2 ARG 25 -7.644 4.562 -8.582 158 H GLN 26 H GLN 26 -12.156 6.870 -1.347 159 HA GLN 26 HA GLN 26 -10.317 8.851 -1.862 160 HB2 GLN 26 1HB GLN 26 -11.694 10.318 -0.649 161 HB3 GLN 26 2HB GLN 26 -12.787 9.067 -1.224 162 HG2 GLN 26 1HG GLN 26 -12.419 7.958 1.048 163 HG3 GLN 26 2HG GLN 26 -11.733 9.504 1.544 164 HE21 GLN 26 1HE2 GLN 26 -13.275 10.128 2.958 165 HE22 GLN 26 2HE2 GLN 26 -14.916 10.452 2.525 166 H SER 27 H SER 27 -10.646 6.857 1.010 167 HA SER 27 HA SER 27 -8.819 8.335 2.616 168 HB2 SER 27 1HB SER 27 -10.110 5.640 2.799 169 HB3 SER 27 2HB SER 27 -8.752 6.012 3.860 170 HG SER 27 HG SER 27 -9.967 7.923 4.477 171 H LEU 28 H LEU 28 -8.493 5.822 0.234 172 HA LEU 28 HA LEU 28 -5.814 5.092 0.953 173 HB2 LEU 28 1HB LEU 28 -7.041 3.418 -0.132 174 HB3 LEU 28 2HB LEU 28 -7.592 4.519 -1.393 175 HG LEU 28 HG LEU 28 -5.298 4.569 -2.307 176 HD11 LEU 28 1HD1 LEU 28 -4.774 3.020 0.130 177 HD12 LEU 28 2HD1 LEU 28 -3.700 4.045 -0.821 178 HD13 LEU 28 3HD1 LEU 28 -4.020 2.388 -1.334 179 HD21 LEU 28 3HD2 LEU 28 -5.860 2.863 -3.622 180 HD22 LEU 28 1HD2 LEU 28 -7.212 2.576 -2.527 181 HD23 LEU 28 2HD2 LEU 28 -5.697 1.700 -2.305 182 H SER 29 H SER 29 -7.314 7.287 -1.349 183 HA SER 29 HA SER 29 -5.023 7.900 -2.861 184 HB2 SER 29 1HB SER 29 -6.414 10.178 -3.097 185 HB3 SER 29 2HB SER 29 -6.887 8.696 -3.927 186 HG SER 29 HG SER 29 -8.063 9.983 -1.763 187 H VAL 30 H VAL 30 -6.562 9.867 -0.310 188 HA VAL 30 HA VAL 30 -4.639 11.809 -0.042 189 HB VAL 30 HB VAL 30 -6.350 10.562 2.109 190 HG11 VAL 30 1HG1 VAL 30 -4.364 11.670 3.067 191 HG12 VAL 30 2HG1 VAL 30 -4.816 13.156 2.231 192 HG13 VAL 30 3HG1 VAL 30 -5.867 12.493 3.482 193 HG21 VAL 30 3HG2 VAL 30 -7.138 13.190 1.513 194 HG22 VAL 30 1HG2 VAL 30 -6.859 12.397 -0.038 195 HG23 VAL 30 2HG2 VAL 30 -7.988 11.695 1.121 196 H HIS 31 H HIS 31 -4.556 8.511 1.083 197 HA HIS 31 HA HIS 31 -2.364 8.838 2.881 198 HB2 HIS 31 1HB HIS 31 -3.518 6.924 3.404 199 HB3 HIS 31 2HB HIS 31 -3.859 6.540 1.719 200 HD1 HIS 31 HD1 HIS 31 -1.188 6.187 4.337 201 HD2 HIS 31 HD2 HIS 31 -2.015 4.881 0.480 202 HE1 HIS 31 HE1 HIS 31 0.512 4.398 3.854 203 H GLN 32 H GLN 32 -2.633 7.485 -0.403 204 HA GLN 32 HA GLN 32 -0.032 6.787 -0.876 205 HB2 GLN 32 1HB GLN 32 -2.077 8.004 -2.723 206 HB3 GLN 32 2HB GLN 32 -0.506 7.457 -3.294 207 HG2 GLN 32 1HG GLN 32 -1.079 5.210 -2.275 208 HG3 GLN 32 2HG GLN 32 -2.723 5.823 -2.106 209 HE21 GLN 32 1HE2 GLN 32 -2.216 3.599 -3.605 210 HE22 GLN 32 2HE2 GLN 32 -2.466 3.950 -5.278 211 H ARG 33 H ARG 33 -1.309 9.955 -0.455 212 HA ARG 33 HA ARG 33 0.522 11.524 -1.836 213 HB2 ARG 33 1HB ARG 33 -0.813 12.088 0.818 214 HB3 ARG 33 2HB ARG 33 -0.011 13.290 -0.184 215 HG2 ARG 33 1HG ARG 33 -1.631 12.929 -1.955 216 HG3 ARG 33 2HG ARG 33 -2.417 11.672 -0.996 217 HD2 ARG 33 1HD ARG 33 -3.748 13.519 -0.581 218 HD3 ARG 33 2HD ARG 33 -2.645 13.529 0.795 219 HE ARG 33 HE ARG 33 -1.738 15.119 -1.419 220 HH11 ARG 33 1HH1 ARG 33 -3.715 15.069 1.446 221 HH12 ARG 33 2HH1 ARG 33 -3.647 16.784 1.681 222 HH21 ARG 33 1HH2 ARG 33 -1.641 17.378 -1.120 223 HH22 ARG 33 2HH2 ARG 33 -2.468 18.097 0.220 224 H ILE 34 H ILE 34 0.755 10.086 1.386 225 HA ILE 34 HA ILE 34 3.035 11.284 2.345 226 HB ILE 34 HB ILE 34 3.341 9.442 3.786 227 HG12 ILE 34 1HG1 ILE 34 1.741 7.768 1.838 228 HG13 ILE 34 2HG1 ILE 34 3.490 7.709 2.029 229 HG21 ILE 34 1HG2 ILE 34 0.593 8.761 3.729 230 HG22 ILE 34 2HG2 ILE 34 1.418 9.902 4.789 231 HG23 ILE 34 3HG2 ILE 34 0.738 10.455 3.259 232 HD11 ILE 34 3HD1 ILE 34 2.430 7.327 4.588 233 HD12 ILE 34 1HD1 ILE 34 1.453 6.342 3.500 234 HD13 ILE 34 2HD1 ILE 34 3.203 6.131 3.547 235 H HIS 35 H HIS 35 2.731 9.139 -0.321 236 HA HIS 35 HA HIS 35 5.567 8.477 -0.357 237 HB2 HIS 35 1HB HIS 35 3.553 7.780 -2.487 238 HB3 HIS 35 2HB HIS 35 5.067 6.964 -2.108 239 HD1 HIS 35 HD1 HIS 35 4.842 6.323 0.788 240 HD2 HIS 35 HD2 HIS 35 1.594 6.063 -1.789 241 HE1 HIS 35 HE1 HIS 35 3.233 4.737 1.893 242 H SER 36 H SER 36 4.632 11.253 -0.688 243 HA SER 36 HA SER 36 5.157 11.866 -3.476 244 HB2 SER 36 1HB SER 36 3.430 13.135 -2.271 245 HB3 SER 36 2HB SER 36 4.642 13.705 -1.125 246 HG SER 36 HG SER 36 5.707 14.702 -2.920 247 H GLY 37 H GLY 37 7.123 12.213 -4.259 248 HA2 GLY 37 1HA GLY 37 9.448 12.306 -4.215 249 HA3 GLY 37 2HA GLY 37 9.078 13.867 -3.497 250 H LYS 38 H LYS 38 8.791 10.555 -2.230 251 HA LYS 38 HA LYS 38 10.728 11.273 -0.136 252 HB2 LYS 38 1HB LYS 38 7.957 10.187 0.165 253 HB3 LYS 38 2HB LYS 38 9.190 9.711 1.326 254 HG2 LYS 38 1HG LYS 38 8.583 12.583 0.689 255 HG3 LYS 38 2HG LYS 38 7.751 11.683 1.959 256 HD2 LYS 38 1HD LYS 38 9.747 11.385 3.189 257 HD3 LYS 38 2HD LYS 38 10.749 11.894 1.828 258 HE2 LYS 38 1HE LYS 38 9.364 14.119 2.077 259 HE3 LYS 38 2HE LYS 38 9.129 13.529 3.721 260 HZ1 LYS 38 3HZ LYS 38 11.496 13.442 4.028 261 HZ2 LYS 38 1HZ LYS 38 11.072 14.991 3.494 262 HZ3 LYS 38 2HZ LYS 38 11.774 13.888 2.420 263 H LYS 39 H LYS 39 11.349 9.858 -2.454 264 HA LYS 39 HA LYS 39 11.919 7.198 -1.334 265 HB2 LYS 39 1HB LYS 39 11.321 7.731 -4.247 266 HB3 LYS 39 2HB LYS 39 11.599 6.167 -3.491 267 HG2 LYS 39 1HG LYS 39 9.366 7.818 -2.453 268 HG3 LYS 39 2HG LYS 39 9.170 7.061 -4.035 269 HD2 LYS 39 1HD LYS 39 8.382 5.370 -2.726 270 HD3 LYS 39 2HD LYS 39 10.097 4.951 -2.717 271 HE2 LYS 39 1HE LYS 39 9.266 4.835 -0.468 272 HE3 LYS 39 2HE LYS 39 10.339 6.228 -0.600 273 HZ1 LYS 39 3HZ LYS 39 7.371 6.321 -0.682 274 HZ2 LYS 39 1HZ LYS 39 8.402 7.656 -0.805 275 HZ3 LYS 39 2HZ LYS 39 8.336 6.769 0.633 276 HA PRO 40 HA PRO 40 15.836 9.354 -2.535 277 HB2 PRO 40 1HB PRO 40 17.200 8.592 -0.315 278 HB3 PRO 40 2HB PRO 40 16.185 10.038 -0.369 279 HG2 PRO 40 1HG PRO 40 15.558 7.323 0.726 280 HG3 PRO 40 2HG PRO 40 15.200 8.918 1.415 281 HD2 PRO 40 1HD PRO 40 13.343 7.448 0.101 282 HD3 PRO 40 2HD PRO 40 13.353 9.223 0.070 283 H SER 41 H SER 41 17.437 8.390 -3.652 284 HA SER 41 HA SER 41 17.375 5.746 -4.405 285 HB2 SER 41 1HB SER 41 18.676 7.563 -5.534 286 HB3 SER 41 2HB SER 41 19.882 7.436 -4.254 287 HG SER 41 HG SER 41 20.367 5.382 -4.922 288 H GLY 42 H GLY 42 19.522 7.201 -1.957 289 HA2 GLY 42 1HA GLY 42 19.712 4.538 -0.703 290 HA3 GLY 42 2HA GLY 42 21.157 5.499 -0.978 291 HA PRO 43 HA PRO 43 18.744 6.621 3.043 292 HB2 PRO 43 1HB PRO 43 19.783 4.845 4.813 293 HB3 PRO 43 2HB PRO 43 18.294 4.542 3.911 294 HG2 PRO 43 1HG PRO 43 21.072 3.569 3.364 295 HG3 PRO 43 2HG PRO 43 19.538 2.683 3.276 296 HD2 PRO 43 1HD PRO 43 20.784 3.659 1.079 297 HD3 PRO 43 2HD PRO 43 19.017 3.539 1.201 298 H SER 44 H SER 44 22.029 5.235 2.924 299 HA SER 44 HA SER 44 23.013 7.702 4.201 300 HB2 SER 44 1HB SER 44 24.854 6.266 5.154 301 HB3 SER 44 2HB SER 44 23.249 5.929 5.803 302 HG SER 44 HG SER 44 24.917 4.255 4.593 303 H SER 45 H SER 45 23.628 8.757 2.353 304 HA SER 45 HA SER 45 25.893 7.566 0.911 305 HB2 SER 45 1HB SER 45 23.599 9.049 -0.395 306 HB3 SER 45 2HB SER 45 25.038 8.447 -1.217 307 HG SER 45 HG SER 45 22.827 7.153 -0.875 308 H GLY 46 H GLY 46 27.206 9.190 -0.251 309 HA2 GLY 46 1HA GLY 46 28.407 11.146 -0.301 310 HA3 GLY 46 2HA GLY 46 26.923 11.961 0.170 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -20.745 -23.497 3.966 2 HA2 GLY 1 1HA GLY 1 -18.785 -23.295 5.213 3 HA3 GLY 1 2HA GLY 1 -17.892 -23.034 3.722 4 H SER 2 H SER 2 -17.637 -20.958 2.921 5 HA SER 2 HA SER 2 -18.422 -18.817 4.787 6 HB2 SER 2 1HB SER 2 -16.024 -19.048 4.744 7 HB3 SER 2 2HB SER 2 -16.005 -19.047 2.981 8 HG SER 2 HG SER 2 -15.470 -17.002 4.059 9 H SER 3 H SER 3 -19.436 -17.026 4.027 10 HA SER 3 HA SER 3 -20.371 -17.144 1.259 11 HB2 SER 3 1HB SER 3 -21.966 -16.888 3.228 12 HB3 SER 3 2HB SER 3 -21.327 -15.254 3.413 13 HG SER 3 HG SER 3 -23.290 -15.848 1.932 14 H GLY 4 H GLY 4 -20.486 -15.158 -0.011 15 HA2 GLY 4 1HA GLY 4 -18.103 -13.925 -0.464 16 HA3 GLY 4 2HA GLY 4 -19.647 -13.173 -0.836 17 H SER 5 H SER 5 -20.673 -11.900 0.871 18 HA SER 5 HA SER 5 -18.754 -10.848 2.837 19 HB2 SER 5 1HB SER 5 -19.345 -8.588 2.339 20 HB3 SER 5 2HB SER 5 -18.991 -9.361 0.795 21 HG SER 5 HG SER 5 -20.884 -8.294 0.499 22 H SER 6 H SER 6 -19.617 -10.139 4.781 23 HA SER 6 HA SER 6 -22.389 -10.988 5.268 24 HB2 SER 6 1HB SER 6 -20.724 -12.161 6.619 25 HB3 SER 6 2HB SER 6 -20.092 -10.624 7.208 26 HG SER 6 HG SER 6 -22.086 -12.058 8.201 27 H GLY 7 H GLY 7 -20.075 -8.486 6.332 28 HA2 GLY 7 1HA GLY 7 -22.102 -6.443 6.048 29 HA3 GLY 7 2HA GLY 7 -21.655 -6.782 7.713 30 H THR 8 H THR 8 -21.280 -4.275 6.741 31 HA THR 8 HA THR 8 -19.073 -3.466 5.446 32 HB THR 8 HB THR 8 -20.552 -1.863 6.506 33 HG1 THR 8 HG1 THR 8 -18.828 -0.653 6.300 34 HG21 THR 8 3HG2 THR 8 -20.216 -3.423 8.783 35 HG22 THR 8 1HG2 THR 8 -21.099 -1.901 8.672 36 HG23 THR 8 2HG2 THR 8 -19.406 -1.905 9.167 37 H GLY 9 H GLY 9 -16.978 -3.935 5.505 38 HA2 GLY 9 1HA GLY 9 -15.311 -3.838 7.703 39 HA3 GLY 9 2HA GLY 9 -15.845 -5.508 7.596 40 H GLU 10 H GLU 10 -15.937 -5.876 4.861 41 HA GLU 10 HA GLU 10 -13.375 -6.624 4.217 42 HB2 GLU 10 1HB GLU 10 -15.550 -7.235 3.039 43 HB3 GLU 10 2HB GLU 10 -15.374 -5.731 2.145 44 HG2 GLU 10 1HG GLU 10 -13.624 -6.500 0.913 45 HG3 GLU 10 2HG GLU 10 -13.071 -7.597 2.177 46 H LYS 11 H LYS 11 -11.837 -5.801 2.676 47 HA LYS 11 HA LYS 11 -11.940 -2.895 2.259 48 HB2 LYS 11 1HB LYS 11 -9.688 -4.476 3.492 49 HB3 LYS 11 2HB LYS 11 -9.436 -2.892 2.771 50 HG2 LYS 11 1HG LYS 11 -10.830 -1.841 4.370 51 HG3 LYS 11 2HG LYS 11 -11.431 -3.391 4.963 52 HD2 LYS 11 1HD LYS 11 -8.517 -2.685 5.100 53 HD3 LYS 11 2HD LYS 11 -9.648 -2.174 6.355 54 HE2 LYS 11 1HE LYS 11 -10.216 -4.445 6.855 55 HE3 LYS 11 2HE LYS 11 -9.301 -5.033 5.468 56 HZ1 LYS 11 3HZ LYS 11 -7.353 -4.836 6.555 57 HZ2 LYS 11 1HZ LYS 11 -8.329 -4.981 7.930 58 HZ3 LYS 11 2HZ LYS 11 -7.822 -3.453 7.410 59 HA PRO 12 HA PRO 12 -10.946 -4.977 -1.703 60 HB2 PRO 12 1HB PRO 12 -12.246 -3.145 -3.227 61 HB3 PRO 12 2HB PRO 12 -13.065 -4.511 -2.460 62 HG2 PRO 12 1HG PRO 12 -12.897 -1.658 -1.567 63 HG3 PRO 12 2HG PRO 12 -14.295 -2.749 -1.571 64 HD2 PRO 12 1HD PRO 12 -12.857 -2.231 0.664 65 HD3 PRO 12 2HD PRO 12 -13.640 -3.797 0.375 66 H TYR 13 H TYR 13 -10.148 -2.044 -0.234 67 HA TYR 13 HA TYR 13 -8.356 -1.297 -2.446 68 HB2 TYR 13 1HB TYR 13 -9.065 0.477 -0.118 69 HB3 TYR 13 2HB TYR 13 -8.401 0.939 -1.681 70 HD1 TYR 13 HD2 TYR 13 -10.062 -0.104 -3.679 71 HD2 TYR 13 HD1 TYR 13 -11.209 1.248 0.189 72 HE1 TYR 13 HE2 TYR 13 -12.332 0.343 -4.514 73 HE2 TYR 13 HE1 TYR 13 -13.482 1.698 -0.636 74 HH TYR 13 HH TYR 13 -14.414 2.237 -3.261 75 H GLU 14 H GLU 14 -6.224 -1.475 -2.182 76 HA GLU 14 HA GLU 14 -5.040 -1.404 0.468 77 HB2 GLU 14 1HB GLU 14 -5.641 -3.774 0.174 78 HB3 GLU 14 2HB GLU 14 -4.729 -3.817 -1.328 79 HG2 GLU 14 1HG GLU 14 -2.710 -3.144 0.056 80 HG3 GLU 14 2HG GLU 14 -3.692 -3.524 1.470 81 H CYS 15 H CYS 15 -3.435 -0.005 0.255 82 HA CYS 15 HA CYS 15 -2.328 0.886 -2.128 83 HB2 CYS 15 1HB CYS 15 -2.170 1.774 0.364 84 HB3 CYS 15 2HB CYS 15 -0.641 0.900 0.336 85 H SER 16 H SER 16 -0.255 0.570 -3.079 86 HA SER 16 HA SER 16 0.855 -2.115 -2.582 87 HB2 SER 16 1HB SER 16 1.526 -2.115 -4.973 88 HB3 SER 16 2HB SER 16 -0.221 -1.995 -4.764 89 HG SER 16 HG SER 16 -0.143 -0.184 -5.804 90 H VAL 17 H VAL 17 1.672 1.173 -3.647 91 HA VAL 17 HA VAL 17 4.381 1.058 -3.864 92 HB VAL 17 HB VAL 17 4.413 3.413 -2.894 93 HG11 VAL 17 1HG1 VAL 17 4.039 2.713 -5.324 94 HG12 VAL 17 2HG1 VAL 17 2.335 3.068 -5.033 95 HG13 VAL 17 3HG1 VAL 17 3.544 4.341 -4.861 96 HG21 VAL 17 3HG2 VAL 17 2.514 3.196 -1.392 97 HG22 VAL 17 1HG2 VAL 17 2.221 4.475 -2.570 98 HG23 VAL 17 2HG2 VAL 17 1.441 2.905 -2.761 99 H CYS 18 H CYS 18 2.518 1.253 -0.864 100 HA CYS 18 HA CYS 18 5.002 0.721 0.630 101 HB2 CYS 18 1HB CYS 18 4.093 1.889 2.510 102 HB3 CYS 18 2HB CYS 18 3.878 2.924 1.102 103 H GLY 19 H GLY 19 1.601 -0.086 0.235 104 HA2 GLY 19 1HA GLY 19 0.784 -2.303 0.474 105 HA3 GLY 19 2HA GLY 19 2.128 -2.653 1.550 106 H LYS 20 H LYS 20 -0.835 -0.708 1.328 107 HA LYS 20 HA LYS 20 -1.302 -1.270 4.176 108 HB2 LYS 20 1HB LYS 20 -0.475 1.142 3.528 109 HB3 LYS 20 2HB LYS 20 -2.145 1.358 3.020 110 HG2 LYS 20 1HG LYS 20 -2.966 1.142 5.175 111 HG3 LYS 20 2HG LYS 20 -1.518 0.312 5.749 112 HD2 LYS 20 1HD LYS 20 -0.246 2.337 5.673 113 HD3 LYS 20 2HD LYS 20 -1.558 3.192 4.858 114 HE2 LYS 20 1HE LYS 20 -1.861 3.906 7.016 115 HE3 LYS 20 2HE LYS 20 -2.915 2.493 6.991 116 HZ1 LYS 20 3HZ LYS 20 -1.684 2.269 8.935 117 HZ2 LYS 20 1HZ LYS 20 -0.239 2.768 8.211 118 HZ3 LYS 20 2HZ LYS 20 -0.883 1.247 7.851 119 H ALA 21 H ALA 21 -3.655 -0.675 4.755 120 HA ALA 21 HA ALA 21 -5.449 -1.343 2.521 121 HB1 ALA 21 3HB ALA 21 -6.541 -2.469 4.868 122 HB2 ALA 21 1HB ALA 21 -5.944 -3.302 3.432 123 HB3 ALA 21 2HB ALA 21 -4.855 -2.978 4.781 124 H PHE 22 H PHE 22 -7.494 -0.435 2.587 125 HA PHE 22 HA PHE 22 -8.183 1.271 4.857 126 HB2 PHE 22 1HB PHE 22 -8.175 2.307 2.016 127 HB3 PHE 22 2HB PHE 22 -8.611 3.207 3.464 128 HD1 PHE 22 HD1 PHE 22 -5.819 1.628 1.648 129 HD2 PHE 22 HD2 PHE 22 -6.964 4.224 4.821 130 HE1 PHE 22 HE1 PHE 22 -3.482 2.358 1.890 131 HE2 PHE 22 HE2 PHE 22 -4.629 4.959 5.067 132 HZ PHE 22 HZ PHE 22 -2.884 4.027 3.600 133 H SER 23 H SER 23 -10.437 2.241 4.503 134 HA SER 23 HA SER 23 -12.172 0.069 3.629 135 HB2 SER 23 1HB SER 23 -13.903 1.833 4.667 136 HB3 SER 23 2HB SER 23 -12.979 0.716 5.671 137 HG SER 23 HG SER 23 -12.022 2.367 6.528 138 H HIS 24 H HIS 24 -11.860 3.580 3.147 139 HA HIS 24 HA HIS 24 -13.476 3.314 0.702 140 HB2 HIS 24 1HB HIS 24 -13.953 4.989 2.754 141 HB3 HIS 24 2HB HIS 24 -12.882 6.008 1.795 142 HD1 HIS 24 HD1 HIS 24 -13.884 7.158 -0.193 143 HD2 HIS 24 HD2 HIS 24 -16.353 4.189 1.339 144 HE1 HIS 24 HE1 HIS 24 -16.061 7.390 -1.429 145 H ARG 25 H ARG 25 -12.819 4.481 -1.186 146 HA ARG 25 HA ARG 25 -10.087 4.220 -1.789 147 HB2 ARG 25 1HB ARG 25 -12.467 5.366 -3.159 148 HB3 ARG 25 2HB ARG 25 -10.883 5.830 -3.765 149 HG2 ARG 25 1HG ARG 25 -10.311 3.483 -4.095 150 HG3 ARG 25 2HG ARG 25 -11.890 3.008 -3.466 151 HD2 ARG 25 1HD ARG 25 -12.991 4.159 -5.298 152 HD3 ARG 25 2HD ARG 25 -11.435 4.723 -5.904 153 HE ARG 25 HE ARG 25 -11.574 1.873 -5.701 154 HH11 ARG 25 1HH1 ARG 25 -12.400 4.611 -7.686 155 HH12 ARG 25 2HH1 ARG 25 -12.422 3.700 -9.160 156 HH21 ARG 25 1HH2 ARG 25 -11.600 0.664 -7.635 157 HH22 ARG 25 2HH2 ARG 25 -11.967 1.455 -9.130 158 H GLN 26 H GLN 26 -12.060 7.112 -1.163 159 HA GLN 26 HA GLN 26 -10.303 9.128 -1.595 160 HB2 GLN 26 1HB GLN 26 -12.428 8.719 0.455 161 HB3 GLN 26 2HB GLN 26 -11.371 10.114 0.625 162 HG2 GLN 26 1HG GLN 26 -12.195 11.145 -1.230 163 HG3 GLN 26 2HG GLN 26 -12.618 9.628 -2.022 164 HE21 GLN 26 1HE2 GLN 26 -14.691 9.167 -2.119 165 HE22 GLN 26 2HE2 GLN 26 -15.924 9.792 -1.084 166 H SER 27 H SER 27 -10.431 7.100 1.313 167 HA SER 27 HA SER 27 -8.399 8.393 2.745 168 HB2 SER 27 1HB SER 27 -9.642 5.677 2.839 169 HB3 SER 27 2HB SER 27 -8.157 5.952 3.748 170 HG SER 27 HG SER 27 -9.317 6.939 5.178 171 H LEU 28 H LEU 28 -8.243 5.546 0.617 172 HA LEU 28 HA LEU 28 -5.494 5.080 0.848 173 HB2 LEU 28 1HB LEU 28 -6.834 3.391 -0.108 174 HB3 LEU 28 2HB LEU 28 -7.479 4.487 -1.328 175 HG LEU 28 HG LEU 28 -5.273 4.533 -2.422 176 HD11 LEU 28 1HD1 LEU 28 -3.430 3.417 -1.670 177 HD12 LEU 28 2HD1 LEU 28 -4.375 2.221 -0.784 178 HD13 LEU 28 3HD1 LEU 28 -4.172 3.845 -0.128 179 HD21 LEU 28 3HD2 LEU 28 -5.296 2.106 -3.146 180 HD22 LEU 28 1HD2 LEU 28 -6.811 2.992 -3.327 181 HD23 LEU 28 2HD2 LEU 28 -6.600 1.871 -1.981 182 H SER 29 H SER 29 -7.296 6.991 -1.547 183 HA SER 29 HA SER 29 -5.156 7.765 -3.145 184 HB2 SER 29 1HB SER 29 -7.627 8.141 -3.586 185 HB3 SER 29 2HB SER 29 -7.524 9.529 -2.503 186 HG SER 29 HG SER 29 -6.799 10.596 -4.147 187 H VAL 30 H VAL 30 -6.637 9.621 -0.482 188 HA VAL 30 HA VAL 30 -4.764 11.696 -0.450 189 HB VAL 30 HB VAL 30 -6.381 10.619 1.865 190 HG11 VAL 30 1HG1 VAL 30 -6.090 12.867 2.823 191 HG12 VAL 30 2HG1 VAL 30 -4.556 12.014 2.642 192 HG13 VAL 30 3HG1 VAL 30 -5.005 13.278 1.496 193 HG21 VAL 30 3HG2 VAL 30 -7.316 11.698 -0.476 194 HG22 VAL 30 1HG2 VAL 30 -8.176 11.689 1.064 195 HG23 VAL 30 2HG2 VAL 30 -7.235 13.102 0.588 196 H HIS 31 H HIS 31 -4.739 8.538 1.086 197 HA HIS 31 HA HIS 31 -2.582 8.978 2.846 198 HB2 HIS 31 1HB HIS 31 -3.702 7.047 3.391 199 HB3 HIS 31 2HB HIS 31 -3.946 6.585 1.709 200 HD1 HIS 31 HD1 HIS 31 -1.242 6.606 4.356 201 HD2 HIS 31 HD2 HIS 31 -2.141 4.774 0.737 202 HE1 HIS 31 HE1 HIS 31 0.501 4.818 4.056 203 H GLN 32 H GLN 32 -2.673 7.509 -0.397 204 HA GLN 32 HA GLN 32 -0.065 6.838 -0.770 205 HB2 GLN 32 1HB GLN 32 -2.045 8.052 -2.683 206 HB3 GLN 32 2HB GLN 32 -0.436 7.573 -3.207 207 HG2 GLN 32 1HG GLN 32 -0.867 5.287 -2.551 208 HG3 GLN 32 2HG GLN 32 -2.448 5.742 -1.920 209 HE21 GLN 32 1HE2 GLN 32 -1.897 3.782 -3.922 210 HE22 GLN 32 2HE2 GLN 32 -2.687 4.293 -5.371 211 H ARG 33 H ARG 33 -1.350 10.019 -0.415 212 HA ARG 33 HA ARG 33 0.564 11.576 -1.688 213 HB2 ARG 33 1HB ARG 33 -0.963 12.115 0.863 214 HB3 ARG 33 2HB ARG 33 -0.027 13.327 -0.001 215 HG2 ARG 33 1HG ARG 33 -1.477 12.895 -1.996 216 HG3 ARG 33 2HG ARG 33 -2.486 11.886 -0.957 217 HD2 ARG 33 1HD ARG 33 -2.604 13.941 0.579 218 HD3 ARG 33 2HD ARG 33 -1.997 14.843 -0.809 219 HE ARG 33 HE ARG 33 -4.639 13.746 -0.467 220 HH11 ARG 33 1HH1 ARG 33 -2.260 14.879 -2.742 221 HH12 ARG 33 2HH1 ARG 33 -3.422 15.246 -3.973 222 HH21 ARG 33 1HH2 ARG 33 -6.179 14.226 -2.080 223 HH22 ARG 33 2HH2 ARG 33 -5.651 14.875 -3.595 224 H ILE 34 H ILE 34 0.600 10.181 1.567 225 HA ILE 34 HA ILE 34 2.812 11.341 2.667 226 HB ILE 34 HB ILE 34 3.098 9.422 4.042 227 HG12 ILE 34 1HG1 ILE 34 1.497 7.867 1.997 228 HG13 ILE 34 2HG1 ILE 34 3.240 7.755 2.220 229 HG21 ILE 34 1HG2 ILE 34 0.490 10.462 3.444 230 HG22 ILE 34 2HG2 ILE 34 0.370 8.788 3.983 231 HG23 ILE 34 3HG2 ILE 34 1.174 9.985 4.998 232 HD11 ILE 34 3HD1 ILE 34 2.285 5.895 3.308 233 HD12 ILE 34 1HD1 ILE 34 2.776 7.018 4.576 234 HD13 ILE 34 2HD1 ILE 34 1.078 6.896 4.115 235 H HIS 35 H HIS 35 2.702 9.207 -0.040 236 HA HIS 35 HA HIS 35 5.523 8.554 0.068 237 HB2 HIS 35 1HB HIS 35 3.673 8.060 -2.258 238 HB3 HIS 35 2HB HIS 35 5.140 7.186 -1.828 239 HD1 HIS 35 HD1 HIS 35 4.723 6.272 0.941 240 HD2 HIS 35 HD2 HIS 35 1.598 6.407 -1.793 241 HE1 HIS 35 HE1 HIS 35 2.998 4.663 1.812 242 H SER 36 H SER 36 4.731 11.364 -0.105 243 HA SER 36 HA SER 36 5.679 12.096 -2.783 244 HB2 SER 36 1HB SER 36 3.573 13.138 -1.916 245 HB3 SER 36 2HB SER 36 4.528 13.903 -0.646 246 HG SER 36 HG SER 36 5.172 14.222 -3.376 247 H GLY 37 H GLY 37 7.689 12.800 -3.095 248 HA2 GLY 37 1HA GLY 37 9.206 14.551 -1.728 249 HA3 GLY 37 2HA GLY 37 9.460 13.070 -0.815 250 H LYS 38 H LYS 38 11.194 11.955 -1.375 251 HA LYS 38 HA LYS 38 12.828 12.605 -3.555 252 HB2 LYS 38 1HB LYS 38 13.439 11.358 -1.401 253 HB3 LYS 38 2HB LYS 38 12.825 9.915 -2.198 254 HG2 LYS 38 1HG LYS 38 14.456 10.488 -4.083 255 HG3 LYS 38 2HG LYS 38 15.202 11.589 -2.922 256 HD2 LYS 38 1HD LYS 38 14.714 8.681 -2.321 257 HD3 LYS 38 2HD LYS 38 16.200 9.260 -3.078 258 HE2 LYS 38 1HE LYS 38 16.743 10.586 -1.179 259 HE3 LYS 38 2HE LYS 38 15.150 10.332 -0.467 260 HZ1 LYS 38 3HZ LYS 38 15.741 8.341 0.346 261 HZ2 LYS 38 1HZ LYS 38 17.323 8.919 0.178 262 HZ3 LYS 38 2HZ LYS 38 16.657 7.920 -1.013 263 H LYS 39 H LYS 39 13.322 11.436 -5.465 264 HA LYS 39 HA LYS 39 11.418 9.396 -6.321 265 HB2 LYS 39 1HB LYS 39 11.753 12.094 -7.583 266 HB3 LYS 39 2HB LYS 39 11.328 10.709 -8.580 267 HG2 LYS 39 1HG LYS 39 9.335 10.332 -7.246 268 HG3 LYS 39 2HG LYS 39 9.771 11.678 -6.190 269 HD2 LYS 39 1HD LYS 39 9.559 12.186 -9.115 270 HD3 LYS 39 2HD LYS 39 8.070 11.982 -8.191 271 HE2 LYS 39 1HE LYS 39 8.544 14.305 -8.217 272 HE3 LYS 39 2HE LYS 39 8.947 13.724 -6.602 273 HZ1 LYS 39 3HZ LYS 39 10.596 15.263 -7.732 274 HZ2 LYS 39 1HZ LYS 39 10.993 13.951 -8.723 275 HZ3 LYS 39 2HZ LYS 39 11.219 13.846 -7.050 276 HA PRO 40 HA PRO 40 15.023 7.612 -8.102 277 HB2 PRO 40 1HB PRO 40 13.864 6.025 -9.975 278 HB3 PRO 40 2HB PRO 40 13.813 5.664 -8.245 279 HG2 PRO 40 1HG PRO 40 11.727 6.933 -9.977 280 HG3 PRO 40 2HG PRO 40 11.537 5.698 -8.718 281 HD2 PRO 40 1HD PRO 40 10.990 8.315 -8.287 282 HD3 PRO 40 2HD PRO 40 11.610 7.246 -7.012 283 H SER 41 H SER 41 16.167 7.358 -10.172 284 HA SER 41 HA SER 41 16.127 9.746 -11.682 285 HB2 SER 41 1HB SER 41 17.589 7.137 -11.912 286 HB3 SER 41 2HB SER 41 17.685 8.311 -13.223 287 HG SER 41 HG SER 41 19.344 8.489 -11.561 288 H GLY 42 H GLY 42 14.370 10.204 -12.881 289 HA2 GLY 42 1HA GLY 42 13.459 8.134 -14.785 290 HA3 GLY 42 2HA GLY 42 12.384 9.316 -14.054 291 HA PRO 43 HA PRO 43 13.764 10.825 -18.251 292 HB2 PRO 43 1HB PRO 43 11.261 11.260 -19.207 293 HB3 PRO 43 2HB PRO 43 12.087 9.704 -19.349 294 HG2 PRO 43 1HG PRO 43 10.023 10.580 -17.365 295 HG3 PRO 43 2HG PRO 43 10.157 9.040 -18.234 296 HD2 PRO 43 1HD PRO 43 10.955 9.338 -15.663 297 HD3 PRO 43 2HD PRO 43 11.754 8.220 -16.788 298 H SER 44 H SER 44 13.027 12.935 -19.308 299 HA SER 44 HA SER 44 11.873 14.864 -17.460 300 HB2 SER 44 1HB SER 44 14.745 14.828 -18.279 301 HB3 SER 44 2HB SER 44 13.939 16.389 -18.129 302 HG SER 44 HG SER 44 14.248 14.397 -16.137 303 H SER 45 H SER 45 11.921 17.128 -18.584 304 HA SER 45 HA SER 45 11.163 16.710 -21.402 305 HB2 SER 45 1HB SER 45 9.385 17.400 -19.633 306 HB3 SER 45 2HB SER 45 10.138 18.991 -19.733 307 HG SER 45 HG SER 45 8.605 17.623 -21.601 308 H GLY 46 H GLY 46 11.738 18.273 -22.934 309 HA2 GLY 46 1HA GLY 46 13.388 20.522 -22.112 310 HA3 GLY 46 2HA GLY 46 14.215 19.274 -23.032 Start of MODEL 3 1 H1 GLY 1 H GLY 1 4.093 -13.031 16.189 2 HA2 GLY 1 1HA GLY 1 2.191 -13.425 18.321 3 HA3 GLY 1 2HA GLY 1 3.840 -12.840 18.486 4 H SER 2 H SER 2 1.085 -11.583 16.622 5 HA SER 2 HA SER 2 1.449 -9.018 18.021 6 HB2 SER 2 1HB SER 2 0.482 -7.949 16.040 7 HB3 SER 2 2HB SER 2 1.871 -8.937 15.589 8 HG SER 2 HG SER 2 -0.622 -10.168 15.537 9 H SER 3 H SER 3 -0.040 -10.989 19.277 10 HA SER 3 HA SER 3 -2.741 -11.141 18.818 11 HB2 SER 3 1HB SER 3 -1.406 -10.904 21.526 12 HB3 SER 3 2HB SER 3 -3.008 -11.573 21.218 13 HG SER 3 HG SER 3 -0.485 -12.615 20.497 14 H GLY 4 H GLY 4 -4.570 -10.014 19.644 15 HA2 GLY 4 1HA GLY 4 -5.648 -8.163 20.641 16 HA3 GLY 4 2HA GLY 4 -4.107 -7.320 20.687 17 H SER 5 H SER 5 -6.845 -8.200 18.695 18 HA SER 5 HA SER 5 -6.687 -5.813 17.183 19 HB2 SER 5 1HB SER 5 -5.984 -6.570 15.061 20 HB3 SER 5 2HB SER 5 -4.819 -7.273 16.183 21 HG SER 5 HG SER 5 -6.358 -9.151 16.135 22 H SER 6 H SER 6 -8.244 -5.977 15.212 23 HA SER 6 HA SER 6 -10.673 -7.246 16.211 24 HB2 SER 6 1HB SER 6 -10.370 -5.350 13.873 25 HB3 SER 6 2HB SER 6 -11.867 -5.800 14.689 26 HG SER 6 HG SER 6 -10.510 -4.907 16.618 27 H GLY 7 H GLY 7 -12.163 -8.254 14.607 28 HA2 GLY 7 1HA GLY 7 -10.708 -10.240 13.095 29 HA3 GLY 7 2HA GLY 7 -12.447 -10.176 13.334 30 H THR 8 H THR 8 -10.858 -7.330 12.208 31 HA THR 8 HA THR 8 -11.696 -7.915 9.448 32 HB THR 8 HB THR 8 -12.495 -5.603 9.197 33 HG1 THR 8 HG1 THR 8 -11.854 -4.238 10.676 34 HG21 THR 8 3HG2 THR 8 -13.818 -7.684 10.387 35 HG22 THR 8 1HG2 THR 8 -14.565 -6.176 9.861 36 HG23 THR 8 2HG2 THR 8 -14.070 -6.376 11.542 37 H GLY 9 H GLY 9 -10.314 -7.276 7.873 38 HA2 GLY 9 1HA GLY 9 -8.312 -5.256 8.325 39 HA3 GLY 9 2HA GLY 9 -7.653 -6.885 8.285 40 H GLU 10 H GLU 10 -9.345 -7.987 6.322 41 HA GLU 10 HA GLU 10 -8.013 -7.090 3.974 42 HB2 GLU 10 1HB GLU 10 -8.978 -9.448 4.600 43 HB3 GLU 10 2HB GLU 10 -10.451 -8.825 3.871 44 HG2 GLU 10 1HG GLU 10 -7.888 -8.618 2.371 45 HG3 GLU 10 2HG GLU 10 -8.722 -10.169 2.454 46 H LYS 11 H LYS 11 -8.492 -5.218 3.033 47 HA LYS 11 HA LYS 11 -11.330 -4.471 2.766 48 HB2 LYS 11 1HB LYS 11 -8.891 -2.689 2.891 49 HB3 LYS 11 2HB LYS 11 -10.529 -2.125 2.588 50 HG2 LYS 11 1HG LYS 11 -9.706 -3.595 5.080 51 HG3 LYS 11 2HG LYS 11 -9.726 -1.836 4.934 52 HD2 LYS 11 1HD LYS 11 -12.021 -1.734 4.858 53 HD3 LYS 11 2HD LYS 11 -12.178 -3.365 4.199 54 HE2 LYS 11 1HE LYS 11 -12.960 -3.533 6.402 55 HE3 LYS 11 2HE LYS 11 -11.319 -4.176 6.460 56 HZ1 LYS 11 3HZ LYS 11 -12.182 -2.408 8.191 57 HZ2 LYS 11 1HZ LYS 11 -11.674 -1.325 6.995 58 HZ3 LYS 11 2HZ LYS 11 -10.574 -2.421 7.665 59 HA PRO 12 HA PRO 12 -10.973 -4.645 -1.606 60 HB2 PRO 12 1HB PRO 12 -12.677 -2.667 -2.348 61 HB3 PRO 12 2HB PRO 12 -13.227 -4.211 -1.687 62 HG2 PRO 12 1HG PRO 12 -12.901 -1.571 -0.314 63 HG3 PRO 12 2HG PRO 12 -14.222 -2.747 -0.179 64 HD2 PRO 12 1HD PRO 12 -12.255 -2.545 1.672 65 HD3 PRO 12 2HD PRO 12 -13.047 -4.086 1.284 66 H TYR 13 H TYR 13 -9.622 -2.226 0.165 67 HA TYR 13 HA TYR 13 -8.439 -0.998 -2.231 68 HB2 TYR 13 1HB TYR 13 -9.245 0.466 0.291 69 HB3 TYR 13 2HB TYR 13 -8.392 1.177 -1.074 70 HD1 TYR 13 HD2 TYR 13 -9.553 1.566 -3.200 71 HD2 TYR 13 HD1 TYR 13 -11.612 0.024 0.189 72 HE1 TYR 13 HE2 TYR 13 -11.702 2.112 -4.264 73 HE2 TYR 13 HE1 TYR 13 -13.766 0.564 -0.866 74 HH TYR 13 HH TYR 13 -13.990 1.572 -4.174 75 H GLU 14 H GLU 14 -6.383 -1.612 -2.259 76 HA GLU 14 HA GLU 14 -4.879 -1.572 0.275 77 HB2 GLU 14 1HB GLU 14 -5.333 -3.865 -0.777 78 HB3 GLU 14 2HB GLU 14 -4.216 -3.376 -2.043 79 HG2 GLU 14 1HG GLU 14 -2.440 -3.116 -0.419 80 HG3 GLU 14 2HG GLU 14 -3.552 -3.517 0.889 81 H CYS 15 H CYS 15 -3.167 -0.269 0.325 82 HA CYS 15 HA CYS 15 -2.546 1.479 -1.777 83 HB2 CYS 15 1HB CYS 15 -2.035 1.557 0.823 84 HB3 CYS 15 2HB CYS 15 -0.495 0.876 0.307 85 H SER 16 H SER 16 -1.386 1.207 -3.559 86 HA SER 16 HA SER 16 0.090 -1.249 -3.961 87 HB2 SER 16 1HB SER 16 -0.317 1.096 -5.834 88 HB3 SER 16 2HB SER 16 0.331 -0.484 -6.275 89 HG SER 16 HG SER 16 -1.915 -1.022 -5.117 90 H VAL 17 H VAL 17 1.130 0.613 -2.001 91 HA VAL 17 HA VAL 17 3.778 1.061 -3.199 92 HB VAL 17 HB VAL 17 2.362 2.962 -1.326 93 HG11 VAL 17 1HG1 VAL 17 4.603 3.054 -0.680 94 HG12 VAL 17 2HG1 VAL 17 5.185 2.848 -2.334 95 HG13 VAL 17 3HG1 VAL 17 4.445 4.372 -1.841 96 HG21 VAL 17 3HG2 VAL 17 2.552 4.550 -3.204 97 HG22 VAL 17 1HG2 VAL 17 3.203 3.254 -4.208 98 HG23 VAL 17 2HG2 VAL 17 1.550 3.154 -3.600 99 H CYS 18 H CYS 18 2.372 1.550 0.035 100 HA CYS 18 HA CYS 18 4.616 0.147 1.223 101 HB2 CYS 18 1HB CYS 18 3.529 0.820 3.381 102 HB3 CYS 18 2HB CYS 18 3.934 2.169 2.324 103 H GLY 19 H GLY 19 1.229 -0.375 0.569 104 HA2 GLY 19 1HA GLY 19 0.340 -2.580 0.361 105 HA3 GLY 19 2HA GLY 19 1.536 -3.137 1.522 106 H LYS 20 H LYS 20 -0.579 -0.327 1.837 107 HA LYS 20 HA LYS 20 -1.555 -1.395 4.365 108 HB2 LYS 20 1HB LYS 20 -0.759 1.067 3.803 109 HB3 LYS 20 2HB LYS 20 -2.431 1.249 3.289 110 HG2 LYS 20 1HG LYS 20 -3.257 1.011 5.414 111 HG3 LYS 20 2HG LYS 20 -1.865 0.078 5.967 112 HD2 LYS 20 1HD LYS 20 -0.558 1.966 6.274 113 HD3 LYS 20 2HD LYS 20 -1.522 2.937 5.159 114 HE2 LYS 20 1HE LYS 20 -3.376 2.914 6.777 115 HE3 LYS 20 2HE LYS 20 -2.374 1.989 7.894 116 HZ1 LYS 20 3HZ LYS 20 -1.848 4.744 6.921 117 HZ2 LYS 20 1HZ LYS 20 -0.790 3.852 7.895 118 HZ3 LYS 20 2HZ LYS 20 -2.311 4.298 8.485 119 H ALA 21 H ALA 21 -3.979 -0.673 4.788 120 HA ALA 21 HA ALA 21 -5.633 -1.341 2.459 121 HB1 ALA 21 3HB ALA 21 -6.105 -3.364 3.238 122 HB2 ALA 21 1HB ALA 21 -5.138 -3.072 4.684 123 HB3 ALA 21 2HB ALA 21 -6.841 -2.614 4.655 124 H PHE 22 H PHE 22 -7.449 -0.163 2.306 125 HA PHE 22 HA PHE 22 -8.335 1.340 4.676 126 HB2 PHE 22 1HB PHE 22 -8.170 2.411 1.851 127 HB3 PHE 22 2HB PHE 22 -8.799 3.281 3.247 128 HD1 PHE 22 HD1 PHE 22 -5.779 1.960 1.637 129 HD2 PHE 22 HD2 PHE 22 -7.333 4.260 4.863 130 HE1 PHE 22 HE1 PHE 22 -3.518 2.801 2.121 131 HE2 PHE 22 HE2 PHE 22 -5.075 5.107 5.351 132 HZ PHE 22 HZ PHE 22 -3.164 4.378 3.979 133 H SER 23 H SER 23 -10.561 1.830 4.777 134 HA SER 23 HA SER 23 -12.238 -0.178 3.621 135 HB2 SER 23 1HB SER 23 -12.583 2.050 5.562 136 HB3 SER 23 2HB SER 23 -14.030 1.470 4.738 137 HG SER 23 HG SER 23 -13.881 -0.399 5.753 138 H HIS 24 H HIS 24 -11.783 3.290 3.129 139 HA HIS 24 HA HIS 24 -13.647 3.183 0.858 140 HB2 HIS 24 1HB HIS 24 -13.673 4.952 2.873 141 HB3 HIS 24 2HB HIS 24 -12.553 5.782 1.797 142 HD1 HIS 24 HD1 HIS 24 -13.569 7.128 -0.035 143 HD2 HIS 24 HD2 HIS 24 -16.260 4.418 1.602 144 HE1 HIS 24 HE1 HIS 24 -15.784 7.648 -1.107 145 H ARG 25 H ARG 25 -12.986 4.826 -0.927 146 HA ARG 25 HA ARG 25 -10.379 3.987 -1.864 147 HB2 ARG 25 1HB ARG 25 -12.620 4.229 -3.213 148 HB3 ARG 25 2HB ARG 25 -12.123 5.910 -3.352 149 HG2 ARG 25 1HG ARG 25 -10.161 3.790 -4.052 150 HG3 ARG 25 2HG ARG 25 -11.478 4.135 -5.175 151 HD2 ARG 25 1HD ARG 25 -9.916 5.612 -5.944 152 HD3 ARG 25 2HD ARG 25 -10.722 6.626 -4.749 153 HE ARG 25 HE ARG 25 -8.797 6.635 -3.511 154 HH11 ARG 25 1HH1 ARG 25 -8.627 4.078 -5.867 155 HH12 ARG 25 2HH1 ARG 25 -6.967 3.708 -5.538 156 HH21 ARG 25 1HH2 ARG 25 -6.612 6.157 -3.068 157 HH22 ARG 25 2HH2 ARG 25 -5.822 4.891 -3.945 158 H GLN 26 H GLN 26 -12.032 7.100 -1.340 159 HA GLN 26 HA GLN 26 -10.017 8.843 -1.962 160 HB2 GLN 26 1HB GLN 26 -12.408 9.323 -1.142 161 HB3 GLN 26 2HB GLN 26 -11.726 9.259 0.478 162 HG2 GLN 26 1HG GLN 26 -10.403 11.149 0.125 163 HG3 GLN 26 2HG GLN 26 -10.580 11.054 -1.626 164 HE21 GLN 26 1HE2 GLN 26 -11.860 12.265 1.296 165 HE22 GLN 26 2HE2 GLN 26 -13.217 13.097 0.626 166 H SER 27 H SER 27 -10.541 7.249 1.171 167 HA SER 27 HA SER 27 -8.544 8.390 2.663 168 HB2 SER 27 1HB SER 27 -9.467 5.509 2.649 169 HB3 SER 27 2HB SER 27 -8.440 6.209 3.900 170 HG SER 27 HG SER 27 -10.091 7.349 4.648 171 H LEU 28 H LEU 28 -8.237 5.568 0.519 172 HA LEU 28 HA LEU 28 -5.484 5.160 0.944 173 HB2 LEU 28 1HB LEU 28 -6.732 3.389 0.010 174 HB3 LEU 28 2HB LEU 28 -7.344 4.408 -1.291 175 HG LEU 28 HG LEU 28 -5.020 4.494 -2.210 176 HD11 LEU 28 1HD1 LEU 28 -3.271 3.460 -1.253 177 HD12 LEU 28 2HD1 LEU 28 -4.240 2.089 -0.714 178 HD13 LEU 28 3HD1 LEU 28 -4.238 3.587 0.216 179 HD21 LEU 28 3HD2 LEU 28 -5.379 2.635 -3.464 180 HD22 LEU 28 1HD2 LEU 28 -6.954 2.727 -2.676 181 HD23 LEU 28 2HD2 LEU 28 -5.725 1.619 -2.063 182 H SER 29 H SER 29 -7.255 7.055 -1.459 183 HA SER 29 HA SER 29 -5.077 7.771 -3.071 184 HB2 SER 29 1HB SER 29 -7.466 8.105 -3.688 185 HB3 SER 29 2HB SER 29 -7.558 9.415 -2.511 186 HG SER 29 HG SER 29 -5.502 10.022 -3.934 187 H VAL 30 H VAL 30 -6.536 9.450 -0.298 188 HA VAL 30 HA VAL 30 -4.769 11.653 -0.321 189 HB VAL 30 HB VAL 30 -6.355 10.496 1.975 190 HG11 VAL 30 1HG1 VAL 30 -5.020 13.187 1.698 191 HG12 VAL 30 2HG1 VAL 30 -6.081 12.698 3.021 192 HG13 VAL 30 3HG1 VAL 30 -4.531 11.888 2.786 193 HG21 VAL 30 3HG2 VAL 30 -7.757 12.609 1.391 194 HG22 VAL 30 1HG2 VAL 30 -6.969 12.473 -0.180 195 HG23 VAL 30 2HG2 VAL 30 -7.951 11.143 0.432 196 H HIS 31 H HIS 31 -4.689 8.541 1.349 197 HA HIS 31 HA HIS 31 -2.478 9.057 3.004 198 HB2 HIS 31 1HB HIS 31 -3.580 7.143 3.651 199 HB3 HIS 31 2HB HIS 31 -3.842 6.605 1.994 200 HD1 HIS 31 HD1 HIS 31 -1.019 6.867 4.518 201 HD2 HIS 31 HD2 HIS 31 -2.112 4.682 1.158 202 HE1 HIS 31 HE1 HIS 31 0.721 5.065 4.292 203 H GLN 32 H GLN 32 -2.649 7.478 -0.182 204 HA GLN 32 HA GLN 32 -0.074 6.774 -0.623 205 HB2 GLN 32 1HB GLN 32 -2.153 7.927 -2.439 206 HB3 GLN 32 2HB GLN 32 -0.532 7.644 -3.060 207 HG2 GLN 32 1HG GLN 32 -0.757 5.273 -2.253 208 HG3 GLN 32 2HG GLN 32 -2.457 5.626 -1.948 209 HE21 GLN 32 1HE2 GLN 32 -2.851 3.907 -3.479 210 HE22 GLN 32 2HE2 GLN 32 -2.819 4.252 -5.171 211 H ARG 33 H ARG 33 -1.338 10.022 -0.478 212 HA ARG 33 HA ARG 33 0.560 11.530 -1.731 213 HB2 ARG 33 1HB ARG 33 -0.870 12.038 0.876 214 HB3 ARG 33 2HB ARG 33 0.142 13.245 0.096 215 HG2 ARG 33 1HG ARG 33 -1.404 12.700 -1.971 216 HG3 ARG 33 2HG ARG 33 -2.516 12.195 -0.697 217 HD2 ARG 33 1HD ARG 33 -2.693 14.321 0.174 218 HD3 ARG 33 2HD ARG 33 -1.130 14.826 -0.467 219 HE ARG 33 HE ARG 33 -3.055 14.272 -2.515 220 HH11 ARG 33 1HH1 ARG 33 -1.910 16.673 -0.269 221 HH12 ARG 33 2HH1 ARG 33 -2.489 18.012 -1.203 222 HH21 ARG 33 1HH2 ARG 33 -3.823 16.027 -3.754 223 HH22 ARG 33 2HH2 ARG 33 -3.578 17.643 -3.184 224 H ILE 34 H ILE 34 0.771 10.145 1.527 225 HA ILE 34 HA ILE 34 3.103 11.250 2.440 226 HB ILE 34 HB ILE 34 3.398 9.360 3.856 227 HG12 ILE 34 1HG1 ILE 34 1.531 7.818 2.042 228 HG13 ILE 34 2HG1 ILE 34 3.284 7.654 2.035 229 HG21 ILE 34 1HG2 ILE 34 1.590 10.101 4.915 230 HG22 ILE 34 2HG2 ILE 34 0.787 10.492 3.395 231 HG23 ILE 34 3HG2 ILE 34 0.665 8.865 4.063 232 HD11 ILE 34 3HD1 ILE 34 3.192 6.916 4.380 233 HD12 ILE 34 1HD1 ILE 34 1.432 7.006 4.315 234 HD13 ILE 34 2HD1 ILE 34 2.295 5.859 3.290 235 H HIS 35 H HIS 35 2.707 8.776 -0.003 236 HA HIS 35 HA HIS 35 5.495 8.095 -0.118 237 HB2 HIS 35 1HB HIS 35 3.401 7.545 -2.223 238 HB3 HIS 35 2HB HIS 35 4.909 6.676 -1.954 239 HD1 HIS 35 HD1 HIS 35 4.775 6.020 0.981 240 HD2 HIS 35 HD2 HIS 35 1.478 5.774 -1.535 241 HE1 HIS 35 HE1 HIS 35 3.193 4.419 2.101 242 H SER 36 H SER 36 3.379 10.372 -1.694 243 HA SER 36 HA SER 36 4.933 10.969 -3.951 244 HB2 SER 36 1HB SER 36 2.945 12.600 -2.373 245 HB3 SER 36 2HB SER 36 3.729 13.222 -3.824 246 HG SER 36 HG SER 36 1.639 11.552 -3.623 247 H GLY 37 H GLY 37 4.794 12.627 -0.795 248 HA2 GLY 37 1HA GLY 37 7.315 13.983 -1.473 249 HA3 GLY 37 2HA GLY 37 6.191 14.484 -0.218 250 H LYS 38 H LYS 38 8.693 14.447 0.564 251 HA LYS 38 HA LYS 38 10.165 13.614 2.086 252 HB2 LYS 38 1HB LYS 38 7.672 12.112 2.885 253 HB3 LYS 38 2HB LYS 38 9.177 12.012 3.790 254 HG2 LYS 38 1HG LYS 38 9.098 14.455 4.129 255 HG3 LYS 38 2HG LYS 38 7.538 14.490 3.303 256 HD2 LYS 38 1HD LYS 38 6.920 14.409 5.535 257 HD3 LYS 38 2HD LYS 38 6.850 12.710 5.061 258 HE2 LYS 38 1HE LYS 38 7.977 12.742 7.128 259 HE3 LYS 38 2HE LYS 38 9.234 12.527 5.911 260 HZ1 LYS 38 3HZ LYS 38 8.511 15.127 7.151 261 HZ2 LYS 38 1HZ LYS 38 9.781 14.847 6.069 262 HZ3 LYS 38 2HZ LYS 38 9.825 14.169 7.617 263 H LYS 39 H LYS 39 10.485 12.523 -0.376 264 HA LYS 39 HA LYS 39 11.245 9.754 0.263 265 HB2 LYS 39 1HB LYS 39 9.272 9.705 -1.190 266 HB3 LYS 39 2HB LYS 39 10.094 10.731 -2.358 267 HG2 LYS 39 1HG LYS 39 11.849 8.888 -2.492 268 HG3 LYS 39 2HG LYS 39 10.676 7.878 -1.643 269 HD2 LYS 39 1HD LYS 39 10.307 7.436 -3.918 270 HD3 LYS 39 2HD LYS 39 9.026 8.565 -3.470 271 HE2 LYS 39 1HE LYS 39 9.820 9.394 -5.500 272 HE3 LYS 39 2HE LYS 39 10.623 10.395 -4.292 273 HZ1 LYS 39 3HZ LYS 39 12.587 9.731 -5.034 274 HZ2 LYS 39 1HZ LYS 39 11.813 8.912 -6.296 275 HZ3 LYS 39 2HZ LYS 39 12.177 8.099 -4.858 276 HA PRO 40 HA PRO 40 15.042 11.940 -1.002 277 HB2 PRO 40 1HB PRO 40 16.689 10.332 0.438 278 HB3 PRO 40 2HB PRO 40 15.830 11.706 1.144 279 HG2 PRO 40 1HG PRO 40 15.135 8.795 1.221 280 HG3 PRO 40 2HG PRO 40 15.065 9.997 2.523 281 HD2 PRO 40 1HD PRO 40 12.870 9.209 1.148 282 HD3 PRO 40 2HD PRO 40 13.052 10.852 1.796 283 H SER 41 H SER 41 16.176 11.475 -2.782 284 HA SER 41 HA SER 41 17.012 8.787 -3.400 285 HB2 SER 41 1HB SER 41 14.679 8.819 -4.252 286 HB3 SER 41 2HB SER 41 15.097 10.188 -5.282 287 HG SER 41 HG SER 41 16.620 7.833 -5.419 288 H GLY 42 H GLY 42 18.453 8.696 -5.247 289 HA2 GLY 42 1HA GLY 42 20.319 10.756 -5.316 290 HA3 GLY 42 2HA GLY 42 20.182 9.493 -6.530 291 HA PRO 43 HA PRO 43 19.356 13.538 -8.612 292 HB2 PRO 43 1HB PRO 43 20.864 12.979 -10.798 293 HB3 PRO 43 2HB PRO 43 21.536 13.680 -9.321 294 HG2 PRO 43 1HG PRO 43 21.558 10.833 -10.246 295 HG3 PRO 43 2HG PRO 43 22.863 11.779 -9.508 296 HD2 PRO 43 1HD PRO 43 21.373 10.007 -8.103 297 HD3 PRO 43 2HD PRO 43 22.041 11.482 -7.375 298 H SER 44 H SER 44 19.377 10.221 -9.829 299 HA SER 44 HA SER 44 17.755 10.717 -12.103 300 HB2 SER 44 1HB SER 44 17.622 8.336 -12.332 301 HB3 SER 44 2HB SER 44 19.244 8.704 -11.747 302 HG SER 44 HG SER 44 17.798 6.971 -10.688 303 H SER 45 H SER 45 15.700 11.305 -12.101 304 HA SER 45 HA SER 45 13.818 10.010 -10.300 305 HB2 SER 45 1HB SER 45 14.281 12.996 -10.343 306 HB3 SER 45 2HB SER 45 12.816 12.258 -9.695 307 HG SER 45 HG SER 45 13.898 11.959 -7.932 308 H GLY 46 H GLY 46 11.587 10.319 -10.930 309 HA2 GLY 46 1HA GLY 46 11.313 10.433 -13.798 310 HA3 GLY 46 2HA GLY 46 10.041 10.078 -12.639 Start of MODEL 4 1 H1 GLY 1 H GLY 1 5.065 -16.013 -0.465 2 HA2 GLY 1 1HA GLY 1 4.858 -14.364 -2.386 3 HA3 GLY 1 2HA GLY 1 4.224 -15.737 -3.281 4 H SER 2 H SER 2 2.986 -13.145 -2.591 5 HA SER 2 HA SER 2 0.478 -14.226 -1.595 6 HB2 SER 2 1HB SER 2 0.187 -12.635 0.164 7 HB3 SER 2 2HB SER 2 1.780 -13.355 0.400 8 HG SER 2 HG SER 2 1.435 -10.901 0.429 9 H SER 3 H SER 3 -1.310 -12.617 -1.812 10 HA SER 3 HA SER 3 -0.816 -10.446 -3.684 11 HB2 SER 3 1HB SER 3 -2.379 -12.922 -4.353 12 HB3 SER 3 2HB SER 3 -2.809 -11.377 -5.086 13 HG SER 3 HG SER 3 -1.200 -11.648 -6.392 14 H GLY 4 H GLY 4 -2.934 -9.267 -4.167 15 HA2 GLY 4 1HA GLY 4 -4.198 -8.708 -1.641 16 HA3 GLY 4 2HA GLY 4 -4.504 -7.890 -3.166 17 H SER 5 H SER 5 -5.011 -11.085 -1.668 18 HA SER 5 HA SER 5 -7.619 -11.199 -3.030 19 HB2 SER 5 1HB SER 5 -6.304 -13.066 -3.703 20 HB3 SER 5 2HB SER 5 -5.774 -13.380 -2.050 21 HG SER 5 HG SER 5 -7.860 -14.038 -1.542 22 H SER 6 H SER 6 -6.016 -12.035 0.034 23 HA SER 6 HA SER 6 -8.433 -12.540 1.437 24 HB2 SER 6 1HB SER 6 -5.662 -11.886 2.469 25 HB3 SER 6 2HB SER 6 -6.998 -12.460 3.467 26 HG SER 6 HG SER 6 -5.280 -13.895 2.043 27 H GLY 7 H GLY 7 -9.881 -10.882 1.363 28 HA2 GLY 7 1HA GLY 7 -10.412 -9.028 3.015 29 HA3 GLY 7 2HA GLY 7 -8.968 -8.262 2.370 30 H THR 8 H THR 8 -12.155 -9.499 1.427 31 HA THR 8 HA THR 8 -12.183 -7.523 -0.759 32 HB THR 8 HB THR 8 -13.853 -10.033 -0.517 33 HG1 THR 8 HG1 THR 8 -11.953 -9.714 -2.536 34 HG21 THR 8 3HG2 THR 8 -13.944 -9.330 -3.120 35 HG22 THR 8 1HG2 THR 8 -13.844 -7.736 -2.373 36 HG23 THR 8 2HG2 THR 8 -15.151 -8.835 -1.935 37 H GLY 9 H GLY 9 -14.367 -9.143 1.555 38 HA2 GLY 9 1HA GLY 9 -16.554 -7.446 1.262 39 HA3 GLY 9 2HA GLY 9 -16.180 -8.354 2.720 40 H GLU 10 H GLU 10 -13.794 -7.155 3.475 41 HA GLU 10 HA GLU 10 -14.595 -4.358 3.937 42 HB2 GLU 10 1HB GLU 10 -14.894 -5.979 5.905 43 HB3 GLU 10 2HB GLU 10 -13.139 -6.024 5.978 44 HG2 GLU 10 1HG GLU 10 -13.086 -3.610 6.329 45 HG3 GLU 10 2HG GLU 10 -14.846 -3.560 6.251 46 H LYS 11 H LYS 11 -13.103 -2.878 3.467 47 HA LYS 11 HA LYS 11 -11.130 -1.905 2.888 48 HB2 LYS 11 1HB LYS 11 -9.915 -4.256 4.352 49 HB3 LYS 11 2HB LYS 11 -9.050 -2.806 3.858 50 HG2 LYS 11 1HG LYS 11 -10.704 -1.514 5.285 51 HG3 LYS 11 2HG LYS 11 -11.186 -3.078 5.947 52 HD2 LYS 11 1HD LYS 11 -8.577 -3.343 6.275 53 HD3 LYS 11 2HD LYS 11 -8.633 -1.579 6.261 54 HE2 LYS 11 1HE LYS 11 -10.345 -3.308 8.039 55 HE3 LYS 11 2HE LYS 11 -8.800 -2.617 8.532 56 HZ1 LYS 11 3HZ LYS 11 -11.232 -1.117 7.726 57 HZ2 LYS 11 1HZ LYS 11 -9.733 -0.403 8.054 58 HZ3 LYS 11 2HZ LYS 11 -10.571 -1.212 9.280 59 HA PRO 12 HA PRO 12 -10.788 -5.182 -0.497 60 HB2 PRO 12 1HB PRO 12 -12.145 -3.810 -2.406 61 HB3 PRO 12 2HB PRO 12 -12.933 -4.918 -1.276 62 HG2 PRO 12 1HG PRO 12 -12.741 -1.932 -1.178 63 HG3 PRO 12 2HG PRO 12 -14.136 -2.976 -0.844 64 HD2 PRO 12 1HD PRO 12 -12.621 -1.894 1.123 65 HD3 PRO 12 2HD PRO 12 -13.410 -3.476 1.286 66 H TYR 13 H TYR 13 -9.983 -1.942 0.085 67 HA TYR 13 HA TYR 13 -8.374 -1.720 -2.353 68 HB2 TYR 13 1HB TYR 13 -8.907 0.352 -0.216 69 HB3 TYR 13 2HB TYR 13 -8.087 0.627 -1.748 70 HD1 TYR 13 HD1 TYR 13 -11.322 0.063 -0.125 71 HD2 TYR 13 HD2 TYR 13 -9.339 0.756 -3.825 72 HE1 TYR 13 HE1 TYR 13 -13.482 0.589 -1.177 73 HE2 TYR 13 HE2 TYR 13 -11.493 1.285 -4.887 74 HH TYR 13 HH TYR 13 -14.112 0.516 -4.217 75 H GLU 14 H GLU 14 -6.154 -1.438 -2.313 76 HA GLU 14 HA GLU 14 -4.773 -1.563 0.254 77 HB2 GLU 14 1HB GLU 14 -5.186 -3.919 -0.651 78 HB3 GLU 14 2HB GLU 14 -4.056 -3.507 -1.934 79 HG2 GLU 14 1HG GLU 14 -2.384 -2.966 -0.131 80 HG3 GLU 14 2HG GLU 14 -3.511 -3.691 1.014 81 H CYS 15 H CYS 15 -3.128 -0.187 0.265 82 HA CYS 15 HA CYS 15 -2.441 1.428 -1.897 83 HB2 CYS 15 1HB CYS 15 -1.958 1.624 0.696 84 HB3 CYS 15 2HB CYS 15 -0.420 0.898 0.239 85 H SER 16 H SER 16 -1.249 1.098 -3.648 86 HA SER 16 HA SER 16 0.210 -1.382 -3.948 87 HB2 SER 16 1HB SER 16 0.339 -0.861 -6.261 88 HB3 SER 16 2HB SER 16 -1.254 -0.305 -5.745 89 HG SER 16 HG SER 16 0.420 1.695 -5.366 90 H VAL 17 H VAL 17 1.203 0.634 -2.061 91 HA VAL 17 HA VAL 17 3.883 0.995 -3.228 92 HB VAL 17 HB VAL 17 2.440 2.951 -1.433 93 HG11 VAL 17 1HG1 VAL 17 5.258 2.975 -2.505 94 HG12 VAL 17 2HG1 VAL 17 4.470 4.348 -1.726 95 HG13 VAL 17 3HG1 VAL 17 4.765 2.866 -0.816 96 HG21 VAL 17 3HG2 VAL 17 1.610 3.322 -3.576 97 HG22 VAL 17 1HG2 VAL 17 2.952 4.461 -3.461 98 HG23 VAL 17 2HG2 VAL 17 3.153 2.948 -4.344 99 H CYS 18 H CYS 18 2.418 1.550 -0.029 100 HA CYS 18 HA CYS 18 4.653 0.186 1.226 101 HB2 CYS 18 1HB CYS 18 3.549 0.922 3.350 102 HB3 CYS 18 2HB CYS 18 3.953 2.242 2.258 103 H GLY 19 H GLY 19 1.238 -0.310 0.622 104 HA2 GLY 19 1HA GLY 19 0.374 -2.544 0.430 105 HA3 GLY 19 2HA GLY 19 1.537 -3.054 1.645 106 H LYS 20 H LYS 20 -0.512 -0.199 1.851 107 HA LYS 20 HA LYS 20 -1.550 -1.135 4.388 108 HB2 LYS 20 1HB LYS 20 -0.832 1.303 3.643 109 HB3 LYS 20 2HB LYS 20 -2.503 1.384 3.100 110 HG2 LYS 20 1HG LYS 20 -3.348 1.272 5.231 111 HG3 LYS 20 2HG LYS 20 -1.921 0.451 5.869 112 HD2 LYS 20 1HD LYS 20 -0.663 2.613 5.416 113 HD3 LYS 20 2HD LYS 20 -2.243 3.360 5.168 114 HE2 LYS 20 1HE LYS 20 -2.734 2.189 7.499 115 HE3 LYS 20 2HE LYS 20 -0.985 2.338 7.658 116 HZ1 LYS 20 3HZ LYS 20 -1.840 4.289 8.569 117 HZ2 LYS 20 1HZ LYS 20 -2.986 4.489 7.341 118 HZ3 LYS 20 2HZ LYS 20 -1.347 4.755 7.020 119 H ALA 21 H ALA 21 -4.009 -0.440 4.711 120 HA ALA 21 HA ALA 21 -5.614 -1.310 2.423 121 HB1 ALA 21 3HB ALA 21 -5.025 -2.967 4.656 122 HB2 ALA 21 1HB ALA 21 -6.737 -2.544 4.712 123 HB3 ALA 21 2HB ALA 21 -6.063 -3.308 3.272 124 H PHE 22 H PHE 22 -7.461 -0.196 2.215 125 HA PHE 22 HA PHE 22 -8.496 1.267 4.543 126 HB2 PHE 22 1HB PHE 22 -8.372 2.492 1.790 127 HB3 PHE 22 2HB PHE 22 -8.754 3.287 3.314 128 HD1 PHE 22 HD1 PHE 22 -6.017 1.614 1.457 129 HD2 PHE 22 HD2 PHE 22 -7.081 4.300 4.582 130 HE1 PHE 22 HE1 PHE 22 -3.653 2.250 1.711 131 HE2 PHE 22 HE2 PHE 22 -4.720 4.940 4.841 132 HZ PHE 22 HZ PHE 22 -3.003 3.916 3.403 133 H SER 23 H SER 23 -10.733 1.717 4.501 134 HA SER 23 HA SER 23 -12.271 -0.262 3.086 135 HB2 SER 23 1HB SER 23 -12.593 0.790 5.511 136 HB3 SER 23 2HB SER 23 -13.601 1.926 4.616 137 HG SER 23 HG SER 23 -14.720 0.067 3.776 138 H HIS 24 H HIS 24 -11.852 3.233 2.962 139 HA HIS 24 HA HIS 24 -13.678 3.361 0.664 140 HB2 HIS 24 1HB HIS 24 -13.636 4.957 2.842 141 HB3 HIS 24 2HB HIS 24 -12.550 5.859 1.789 142 HD1 HIS 24 HD1 HIS 24 -13.598 7.227 -0.039 143 HD2 HIS 24 HD2 HIS 24 -16.295 4.632 1.765 144 HE1 HIS 24 HE1 HIS 24 -15.853 7.856 -0.957 145 H ARG 25 H ARG 25 -12.963 5.153 -0.957 146 HA ARG 25 HA ARG 25 -10.343 4.357 -1.919 147 HB2 ARG 25 1HB ARG 25 -12.728 5.702 -3.082 148 HB3 ARG 25 2HB ARG 25 -11.165 6.054 -3.808 149 HG2 ARG 25 1HG ARG 25 -10.806 3.653 -4.168 150 HG3 ARG 25 2HG ARG 25 -12.398 3.327 -3.480 151 HD2 ARG 25 1HD ARG 25 -12.535 3.317 -5.892 152 HD3 ARG 25 2HD ARG 25 -13.415 4.704 -5.252 153 HE ARG 25 HE ARG 25 -11.980 6.065 -6.385 154 HH11 ARG 25 1HH1 ARG 25 -10.489 2.941 -6.014 155 HH12 ARG 25 2HH1 ARG 25 -9.113 3.337 -6.989 156 HH21 ARG 25 1HH2 ARG 25 -10.173 6.599 -7.671 157 HH22 ARG 25 2HH2 ARG 25 -8.934 5.418 -7.930 158 H GLN 26 H GLN 26 -12.035 7.384 -1.125 159 HA GLN 26 HA GLN 26 -10.032 9.198 -1.647 160 HB2 GLN 26 1HB GLN 26 -12.455 9.561 -0.799 161 HB3 GLN 26 2HB GLN 26 -11.743 9.466 0.807 162 HG2 GLN 26 1HG GLN 26 -10.560 11.329 -1.191 163 HG3 GLN 26 2HG GLN 26 -12.068 11.766 -0.390 164 HE21 GLN 26 1HE2 GLN 26 -10.433 13.519 0.239 165 HE22 GLN 26 2HE2 GLN 26 -9.613 13.274 1.740 166 H SER 27 H SER 27 -10.549 7.324 1.320 167 HA SER 27 HA SER 27 -8.537 8.424 2.885 168 HB2 SER 27 1HB SER 27 -9.749 5.667 2.800 169 HB3 SER 27 2HB SER 27 -8.489 6.082 3.962 170 HG SER 27 HG SER 27 -11.094 6.599 4.098 171 H LEU 28 H LEU 28 -8.364 5.837 0.483 172 HA LEU 28 HA LEU 28 -5.626 5.217 0.958 173 HB2 LEU 28 1HB LEU 28 -6.889 3.519 -0.039 174 HB3 LEU 28 2HB LEU 28 -7.560 4.610 -1.250 175 HG LEU 28 HG LEU 28 -5.334 4.715 -2.329 176 HD11 LEU 28 1HD1 LEU 28 -4.079 2.434 -1.345 177 HD12 LEU 28 2HD1 LEU 28 -4.565 3.341 0.087 178 HD13 LEU 28 3HD1 LEU 28 -3.559 4.108 -1.142 179 HD21 LEU 28 3HD2 LEU 28 -5.386 2.070 -2.810 180 HD22 LEU 28 1HD2 LEU 28 -6.537 3.211 -3.505 181 HD23 LEU 28 2HD2 LEU 28 -6.975 2.277 -2.074 182 H SER 29 H SER 29 -7.300 7.135 -1.520 183 HA SER 29 HA SER 29 -5.095 7.862 -3.046 184 HB2 SER 29 1HB SER 29 -7.504 9.601 -2.468 185 HB3 SER 29 2HB SER 29 -6.440 9.704 -3.870 186 HG SER 29 HG SER 29 -7.628 7.241 -3.388 187 H VAL 30 H VAL 30 -6.582 9.671 -0.358 188 HA VAL 30 HA VAL 30 -4.707 11.753 -0.290 189 HB VAL 30 HB VAL 30 -6.363 10.636 1.978 190 HG11 VAL 30 1HG1 VAL 30 -4.655 11.931 2.966 191 HG12 VAL 30 2HG1 VAL 30 -4.766 13.171 1.716 192 HG13 VAL 30 3HG1 VAL 30 -6.068 12.982 2.890 193 HG21 VAL 30 3HG2 VAL 30 -8.052 11.420 0.730 194 HG22 VAL 30 1HG2 VAL 30 -7.480 13.015 1.218 195 HG23 VAL 30 2HG2 VAL 30 -6.972 12.331 -0.326 196 H HIS 31 H HIS 31 -4.719 8.578 1.224 197 HA HIS 31 HA HIS 31 -2.553 8.987 2.981 198 HB2 HIS 31 1HB HIS 31 -3.719 7.074 3.515 199 HB3 HIS 31 2HB HIS 31 -3.934 6.606 1.831 200 HD1 HIS 31 HD1 HIS 31 -1.306 6.595 4.549 201 HD2 HIS 31 HD2 HIS 31 -2.099 4.803 0.885 202 HE1 HIS 31 HE1 HIS 31 0.436 4.801 4.287 203 H GLN 32 H GLN 32 -2.614 7.297 -0.163 204 HA GLN 32 HA GLN 32 -0.026 6.684 -0.548 205 HB2 GLN 32 1HB GLN 32 -2.100 7.726 -2.431 206 HB3 GLN 32 2HB GLN 32 -0.456 7.506 -3.018 207 HG2 GLN 32 1HG GLN 32 -0.517 5.168 -2.459 208 HG3 GLN 32 2HG GLN 32 -2.103 5.354 -1.710 209 HE21 GLN 32 1HE2 GLN 32 -3.846 6.125 -3.150 210 HE22 GLN 32 2HE2 GLN 32 -3.855 5.567 -4.784 211 H ARG 33 H ARG 33 -1.361 9.905 -0.505 212 HA ARG 33 HA ARG 33 0.493 11.446 -1.758 213 HB2 ARG 33 1HB ARG 33 -0.847 11.962 0.900 214 HB3 ARG 33 2HB ARG 33 0.043 13.182 -0.001 215 HG2 ARG 33 1HG ARG 33 -1.539 12.751 -1.916 216 HG3 ARG 33 2HG ARG 33 -2.502 11.796 -0.787 217 HD2 ARG 33 1HD ARG 33 -3.326 14.099 -0.983 218 HD3 ARG 33 2HD ARG 33 -2.779 13.728 0.652 219 HE ARG 33 HE ARG 33 -0.651 14.878 -0.754 220 HH11 ARG 33 1HH1 ARG 33 -3.780 15.745 0.502 221 HH12 ARG 33 2HH1 ARG 33 -3.366 17.410 0.744 222 HH21 ARG 33 1HH2 ARG 33 -0.094 17.067 -0.441 223 HH22 ARG 33 2HH2 ARG 33 -1.269 18.161 0.206 224 H ILE 34 H ILE 34 0.784 10.057 1.490 225 HA ILE 34 HA ILE 34 3.086 11.214 2.397 226 HB ILE 34 HB ILE 34 3.524 9.210 3.691 227 HG12 ILE 34 1HG1 ILE 34 1.460 7.879 1.921 228 HG13 ILE 34 2HG1 ILE 34 3.192 7.561 1.892 229 HG21 ILE 34 1HG2 ILE 34 1.830 10.417 4.693 230 HG22 ILE 34 2HG2 ILE 34 0.692 10.109 3.382 231 HG23 ILE 34 3HG2 ILE 34 1.090 8.825 4.523 232 HD11 ILE 34 3HD1 ILE 34 2.933 6.904 4.340 233 HD12 ILE 34 1HD1 ILE 34 1.199 6.875 4.018 234 HD13 ILE 34 2HD1 ILE 34 2.281 5.807 3.124 235 H HIS 35 H HIS 35 2.778 8.668 -0.013 236 HA HIS 35 HA HIS 35 5.596 8.180 -0.203 237 HB2 HIS 35 1HB HIS 35 3.556 7.480 -2.307 238 HB3 HIS 35 2HB HIS 35 5.069 6.658 -1.936 239 HD1 HIS 35 HD1 HIS 35 4.914 5.942 0.907 240 HD2 HIS 35 HD2 HIS 35 1.543 5.876 -1.521 241 HE1 HIS 35 HE1 HIS 35 3.292 4.398 2.051 242 H SER 36 H SER 36 3.304 10.298 -1.756 243 HA SER 36 HA SER 36 4.818 10.966 -4.037 244 HB2 SER 36 1HB SER 36 2.593 12.322 -2.540 245 HB3 SER 36 2HB SER 36 3.402 13.146 -3.873 246 HG SER 36 HG SER 36 1.465 11.808 -4.362 247 H GLY 37 H GLY 37 6.740 11.909 -4.110 248 HA2 GLY 37 1HA GLY 37 7.308 14.357 -2.798 249 HA3 GLY 37 2HA GLY 37 8.088 13.030 -1.950 250 H LYS 38 H LYS 38 9.963 14.471 -2.649 251 HA LYS 38 HA LYS 38 10.798 13.869 -5.400 252 HB2 LYS 38 1HB LYS 38 10.892 16.214 -4.905 253 HB3 LYS 38 2HB LYS 38 11.763 15.920 -3.406 254 HG2 LYS 38 1HG LYS 38 13.755 15.543 -4.474 255 HG3 LYS 38 2HG LYS 38 12.979 15.034 -5.975 256 HD2 LYS 38 1HD LYS 38 12.239 17.393 -6.308 257 HD3 LYS 38 2HD LYS 38 13.199 17.842 -4.897 258 HE2 LYS 38 1HE LYS 38 14.633 18.293 -6.663 259 HE3 LYS 38 2HE LYS 38 15.144 16.688 -6.144 260 HZ1 LYS 38 3HZ LYS 38 14.622 15.847 -8.115 261 HZ2 LYS 38 1HZ LYS 38 14.410 17.428 -8.678 262 HZ3 LYS 38 2HZ LYS 38 13.083 16.550 -8.105 263 H LYS 39 H LYS 39 11.229 11.636 -4.714 264 HA LYS 39 HA LYS 39 13.994 11.374 -3.863 265 HB2 LYS 39 1HB LYS 39 11.662 10.291 -2.322 266 HB3 LYS 39 2HB LYS 39 13.184 9.411 -2.334 267 HG2 LYS 39 1HG LYS 39 13.000 12.309 -1.569 268 HG3 LYS 39 2HG LYS 39 12.807 10.996 -0.405 269 HD2 LYS 39 1HD LYS 39 15.211 11.221 -2.198 270 HD3 LYS 39 2HD LYS 39 15.131 12.010 -0.621 271 HE2 LYS 39 1HE LYS 39 14.733 9.834 0.436 272 HE3 LYS 39 2HE LYS 39 14.826 9.053 -1.142 273 HZ1 LYS 39 3HZ LYS 39 17.064 10.695 -0.144 274 HZ2 LYS 39 1HZ LYS 39 17.084 9.460 -1.301 275 HZ3 LYS 39 2HZ LYS 39 16.901 9.081 0.337 276 HA PRO 40 HA PRO 40 14.043 8.188 -6.884 277 HB2 PRO 40 1HB PRO 40 16.013 6.591 -5.917 278 HB3 PRO 40 2HB PRO 40 16.328 8.169 -6.648 279 HG2 PRO 40 1HG PRO 40 16.154 7.424 -3.754 280 HG3 PRO 40 2HG PRO 40 17.322 8.481 -4.569 281 HD2 PRO 40 1HD PRO 40 15.217 9.445 -3.164 282 HD3 PRO 40 2HD PRO 40 15.874 10.274 -4.590 283 H SER 41 H SER 41 13.091 7.616 -3.693 284 HA SER 41 HA SER 41 12.689 4.768 -3.954 285 HB2 SER 41 1HB SER 41 12.232 6.808 -1.827 286 HB3 SER 41 2HB SER 41 11.289 5.320 -1.757 287 HG SER 41 HG SER 41 14.115 5.568 -1.789 288 H GLY 42 H GLY 42 11.290 4.434 -5.657 289 HA2 GLY 42 1HA GLY 42 8.680 4.082 -5.397 290 HA3 GLY 42 2HA GLY 42 8.719 5.818 -5.665 291 HA PRO 43 HA PRO 43 10.243 3.561 -9.700 292 HB2 PRO 43 1HB PRO 43 9.385 0.996 -9.933 293 HB3 PRO 43 2HB PRO 43 10.942 1.426 -9.216 294 HG2 PRO 43 1HG PRO 43 8.358 0.746 -7.866 295 HG3 PRO 43 2HG PRO 43 10.004 0.226 -7.458 296 HD2 PRO 43 1HD PRO 43 8.735 2.218 -6.133 297 HD3 PRO 43 2HD PRO 43 10.494 2.201 -6.374 298 H SER 44 H SER 44 9.060 3.286 -11.654 299 HA SER 44 HA SER 44 6.405 4.285 -11.548 300 HB2 SER 44 1HB SER 44 8.271 3.409 -13.706 301 HB3 SER 44 2HB SER 44 6.557 3.545 -14.098 302 HG SER 44 HG SER 44 6.693 5.647 -13.970 303 H SER 45 H SER 45 7.760 1.112 -12.390 304 HA SER 45 HA SER 45 5.584 -0.277 -13.209 305 HB2 SER 45 1HB SER 45 8.004 -1.091 -12.724 306 HB3 SER 45 2HB SER 45 7.376 -1.507 -11.130 307 HG SER 45 HG SER 45 7.096 -3.296 -12.378 308 H GLY 46 H GLY 46 3.857 -1.374 -12.293 309 HA2 GLY 46 1HA GLY 46 3.084 -2.088 -9.898 310 HA3 GLY 46 2HA GLY 46 3.037 -0.346 -9.672 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -2.283 -21.127 12.241 2 HA2 GLY 1 1HA GLY 1 -3.383 -19.648 13.814 3 HA3 GLY 1 2HA GLY 1 -1.794 -19.104 14.331 4 H SER 2 H SER 2 -0.457 -18.174 12.405 5 HA SER 2 HA SER 2 -0.193 -16.562 10.816 6 HB2 SER 2 1HB SER 2 -1.849 -17.975 9.533 7 HB3 SER 2 2HB SER 2 -3.121 -16.922 10.152 8 HG SER 2 HG SER 2 -1.167 -16.426 8.242 9 H SER 3 H SER 3 -0.686 -15.814 13.439 10 HA SER 3 HA SER 3 -1.504 -14.145 14.792 11 HB2 SER 3 1HB SER 3 -0.856 -11.980 14.050 12 HB3 SER 3 2HB SER 3 0.276 -13.102 13.295 13 HG SER 3 HG SER 3 -1.475 -11.395 12.140 14 H GLY 4 H GLY 4 -3.626 -15.530 13.655 15 HA2 GLY 4 1HA GLY 4 -5.514 -13.949 12.305 16 HA3 GLY 4 2HA GLY 4 -5.884 -15.361 13.285 17 H SER 5 H SER 5 -7.251 -12.729 12.978 18 HA SER 5 HA SER 5 -7.756 -12.301 15.788 19 HB2 SER 5 1HB SER 5 -7.270 -9.926 15.808 20 HB3 SER 5 2HB SER 5 -5.819 -10.798 15.313 21 HG SER 5 HG SER 5 -6.705 -8.833 14.054 22 H SER 6 H SER 6 -9.750 -11.359 16.190 23 HA SER 6 HA SER 6 -11.562 -11.350 13.916 24 HB2 SER 6 1HB SER 6 -13.345 -11.284 15.591 25 HB3 SER 6 2HB SER 6 -12.188 -12.557 15.981 26 HG SER 6 HG SER 6 -12.666 -10.118 17.268 27 H GLY 7 H GLY 7 -12.489 -9.590 13.041 28 HA2 GLY 7 1HA GLY 7 -13.449 -7.335 13.542 29 HA3 GLY 7 2HA GLY 7 -11.915 -6.992 14.328 30 H THR 8 H THR 8 -13.012 -8.269 11.182 31 HA THR 8 HA THR 8 -11.114 -6.412 9.898 32 HB THR 8 HB THR 8 -11.015 -8.066 8.011 33 HG1 THR 8 HG1 THR 8 -12.192 -9.833 9.913 34 HG21 THR 8 3HG2 THR 8 -9.187 -9.045 8.921 35 HG22 THR 8 1HG2 THR 8 -10.062 -9.600 10.347 36 HG23 THR 8 2HG2 THR 8 -9.509 -7.929 10.247 37 H GLY 9 H GLY 9 -11.732 -5.544 7.845 38 HA2 GLY 9 1HA GLY 9 -14.653 -5.598 7.393 39 HA3 GLY 9 2HA GLY 9 -13.697 -4.129 7.260 40 H GLU 10 H GLU 10 -15.239 -4.756 5.162 41 HA GLU 10 HA GLU 10 -14.523 -6.436 3.187 42 HB2 GLU 10 1HB GLU 10 -15.223 -3.510 2.948 43 HB3 GLU 10 2HB GLU 10 -15.084 -4.577 1.557 44 HG2 GLU 10 1HG GLU 10 -17.339 -4.625 1.963 45 HG3 GLU 10 2HG GLU 10 -16.789 -6.050 2.842 46 H LYS 11 H LYS 11 -13.037 -3.211 3.542 47 HA LYS 11 HA LYS 11 -11.052 -2.369 2.802 48 HB2 LYS 11 1HB LYS 11 -10.106 -5.177 3.404 49 HB3 LYS 11 2HB LYS 11 -9.080 -3.758 3.243 50 HG2 LYS 11 1HG LYS 11 -11.251 -3.964 5.308 51 HG3 LYS 11 2HG LYS 11 -9.597 -4.509 5.594 52 HD2 LYS 11 1HD LYS 11 -8.741 -2.298 5.245 53 HD3 LYS 11 2HD LYS 11 -10.320 -1.718 4.710 54 HE2 LYS 11 1HE LYS 11 -9.764 -2.808 7.465 55 HE3 LYS 11 2HE LYS 11 -9.718 -1.094 7.055 56 HZ1 LYS 11 3HZ LYS 11 -12.088 -2.856 6.743 57 HZ2 LYS 11 1HZ LYS 11 -12.031 -1.193 6.432 58 HZ3 LYS 11 2HZ LYS 11 -11.849 -1.765 8.013 59 HA PRO 12 HA PRO 12 -11.585 -4.597 -1.329 60 HB2 PRO 12 1HB PRO 12 -12.855 -2.574 -2.620 61 HB3 PRO 12 2HB PRO 12 -13.715 -3.829 -1.720 62 HG2 PRO 12 1HG PRO 12 -13.006 -1.044 -0.880 63 HG3 PRO 12 2HG PRO 12 -14.522 -1.932 -0.643 64 HD2 PRO 12 1HD PRO 12 -12.673 -1.661 1.316 65 HD3 PRO 12 2HD PRO 12 -13.703 -3.099 1.169 66 H TYR 13 H TYR 13 -9.990 -2.033 0.032 67 HA TYR 13 HA TYR 13 -8.453 -1.564 -2.435 68 HB2 TYR 13 1HB TYR 13 -9.074 0.486 -0.298 69 HB3 TYR 13 2HB TYR 13 -8.080 0.755 -1.725 70 HD1 TYR 13 HD2 TYR 13 -9.219 0.431 -4.018 71 HD2 TYR 13 HD1 TYR 13 -11.368 0.899 -0.376 72 HE1 TYR 13 HE2 TYR 13 -11.215 1.101 -5.289 73 HE2 TYR 13 HE1 TYR 13 -13.370 1.569 -1.636 74 HH TYR 13 HH TYR 13 -14.204 1.068 -4.168 75 H GLU 14 H GLU 14 -6.213 -1.200 -2.172 76 HA GLU 14 HA GLU 14 -4.980 -1.332 0.413 77 HB2 GLU 14 1HB GLU 14 -5.449 -3.673 0.239 78 HB3 GLU 14 2HB GLU 14 -4.874 -3.724 -1.422 79 HG2 GLU 14 1HG GLU 14 -2.602 -3.156 -0.583 80 HG3 GLU 14 2HG GLU 14 -3.225 -3.311 1.059 81 H CYS 15 H CYS 15 -3.260 -0.068 0.270 82 HA CYS 15 HA CYS 15 -2.277 1.032 -2.082 83 HB2 CYS 15 1HB CYS 15 -1.918 1.646 0.471 84 HB3 CYS 15 2HB CYS 15 -0.434 0.727 0.246 85 H SER 16 H SER 16 0.226 0.881 -2.572 86 HA SER 16 HA SER 16 0.979 -1.957 -2.750 87 HB2 SER 16 1HB SER 16 -0.017 -0.885 -4.901 88 HB3 SER 16 2HB SER 16 1.536 -0.057 -5.011 89 HG SER 16 HG SER 16 0.945 -2.785 -5.242 90 H VAL 17 H VAL 17 2.093 1.398 -3.067 91 HA VAL 17 HA VAL 17 4.824 0.993 -3.104 92 HB VAL 17 HB VAL 17 4.992 3.241 -1.961 93 HG11 VAL 17 1HG1 VAL 17 3.067 3.224 -4.274 94 HG12 VAL 17 2HG1 VAL 17 4.286 4.438 -3.879 95 HG13 VAL 17 3HG1 VAL 17 4.780 2.841 -4.445 96 HG21 VAL 17 3HG2 VAL 17 2.126 2.674 -1.586 97 HG22 VAL 17 1HG2 VAL 17 3.221 3.679 -0.636 98 HG23 VAL 17 2HG2 VAL 17 2.515 4.307 -2.125 99 H CYS 18 H CYS 18 2.766 1.498 -0.238 100 HA CYS 18 HA CYS 18 4.968 0.577 1.462 101 HB2 CYS 18 1HB CYS 18 3.703 1.490 3.326 102 HB3 CYS 18 2HB CYS 18 3.846 2.702 2.057 103 H GLY 19 H GLY 19 1.554 -0.083 0.762 104 HA2 GLY 19 1HA GLY 19 0.784 -2.360 0.590 105 HA3 GLY 19 2HA GLY 19 1.973 -2.806 1.805 106 H LYS 20 H LYS 20 -0.196 -0.037 1.972 107 HA LYS 20 HA LYS 20 -1.233 -1.054 4.498 108 HB2 LYS 20 1HB LYS 20 -0.420 1.388 3.950 109 HB3 LYS 20 2HB LYS 20 -2.051 1.572 3.318 110 HG2 LYS 20 1HG LYS 20 -3.019 1.427 5.380 111 HG3 LYS 20 2HG LYS 20 -1.718 0.435 6.043 112 HD2 LYS 20 1HD LYS 20 -0.289 2.597 5.682 113 HD3 LYS 20 2HD LYS 20 -1.861 3.399 5.694 114 HE2 LYS 20 1HE LYS 20 -1.039 1.487 7.858 115 HE3 LYS 20 2HE LYS 20 -0.608 3.195 7.917 116 HZ1 LYS 20 3HZ LYS 20 -2.932 2.098 8.819 117 HZ2 LYS 20 1HZ LYS 20 -3.379 2.784 7.338 118 HZ3 LYS 20 2HZ LYS 20 -2.659 3.742 8.531 119 H ALA 21 H ALA 21 -3.678 -0.263 4.815 120 HA ALA 21 HA ALA 21 -5.251 -1.059 2.468 121 HB1 ALA 21 3HB ALA 21 -4.776 -2.782 4.572 122 HB2 ALA 21 1HB ALA 21 -6.368 -2.112 4.932 123 HB3 ALA 21 2HB ALA 21 -6.076 -2.914 3.388 124 H PHE 22 H PHE 22 -7.464 -0.378 2.523 125 HA PHE 22 HA PHE 22 -8.329 1.399 4.633 126 HB2 PHE 22 1HB PHE 22 -8.058 2.498 1.831 127 HB3 PHE 22 2HB PHE 22 -8.585 3.366 3.270 128 HD1 PHE 22 HD1 PHE 22 -5.721 1.998 1.460 129 HD2 PHE 22 HD2 PHE 22 -6.996 4.120 4.923 130 HE1 PHE 22 HE1 PHE 22 -3.399 2.688 1.888 131 HE2 PHE 22 HE2 PHE 22 -4.676 4.814 5.356 132 HZ PHE 22 HZ PHE 22 -2.873 4.099 3.838 133 H SER 23 H SER 23 -10.491 1.379 4.838 134 HA SER 23 HA SER 23 -12.040 -0.434 3.330 135 HB2 SER 23 1HB SER 23 -12.356 0.607 5.760 136 HB3 SER 23 2HB SER 23 -13.388 1.732 4.877 137 HG SER 23 HG SER 23 -14.191 -0.481 5.758 138 H HIS 24 H HIS 24 -11.784 3.094 3.283 139 HA HIS 24 HA HIS 24 -13.651 3.229 1.039 140 HB2 HIS 24 1HB HIS 24 -13.387 4.863 3.174 141 HB3 HIS 24 2HB HIS 24 -12.346 5.698 2.025 142 HD1 HIS 24 HD1 HIS 24 -13.465 6.893 0.067 143 HD2 HIS 24 HD2 HIS 24 -16.130 4.807 2.477 144 HE1 HIS 24 HE1 HIS 24 -15.754 7.642 -0.656 145 H ARG 25 H ARG 25 -12.990 4.905 -0.695 146 HA ARG 25 HA ARG 25 -10.445 4.012 -1.773 147 HB2 ARG 25 1HB ARG 25 -12.451 4.031 -3.205 148 HB3 ARG 25 2HB ARG 25 -12.577 5.773 -2.996 149 HG2 ARG 25 1HG ARG 25 -10.632 6.172 -4.250 150 HG3 ARG 25 2HG ARG 25 -10.137 4.480 -4.169 151 HD2 ARG 25 1HD ARG 25 -11.668 3.818 -5.760 152 HD3 ARG 25 2HD ARG 25 -12.739 5.183 -5.447 153 HE ARG 25 HE ARG 25 -10.535 6.364 -6.467 154 HH11 ARG 25 1HH1 ARG 25 -12.529 3.718 -7.537 155 HH12 ARG 25 2HH1 ARG 25 -12.243 4.012 -9.220 156 HH21 ARG 25 1HH2 ARG 25 -10.150 6.761 -8.679 157 HH22 ARG 25 2HH2 ARG 25 -10.889 5.743 -9.869 158 H GLN 26 H GLN 26 -12.061 7.156 -1.284 159 HA GLN 26 HA GLN 26 -10.044 8.867 -1.935 160 HB2 GLN 26 1HB GLN 26 -11.109 10.513 -0.636 161 HB3 GLN 26 2HB GLN 26 -12.397 9.408 -1.098 162 HG2 GLN 26 1HG GLN 26 -12.105 8.293 1.129 163 HG3 GLN 26 2HG GLN 26 -11.022 9.614 1.566 164 HE21 GLN 26 1HE2 GLN 26 -13.297 9.082 3.012 165 HE22 GLN 26 2HE2 GLN 26 -14.430 10.368 2.795 166 H SER 27 H SER 27 -10.477 7.214 1.171 167 HA SER 27 HA SER 27 -8.457 8.377 2.639 168 HB2 SER 27 1HB SER 27 -9.643 5.622 2.632 169 HB3 SER 27 2HB SER 27 -8.269 5.978 3.678 170 HG SER 27 HG SER 27 -9.512 7.152 4.917 171 H LEU 28 H LEU 28 -8.219 5.697 0.335 172 HA LEU 28 HA LEU 28 -5.470 5.183 0.738 173 HB2 LEU 28 1HB LEU 28 -6.867 3.534 -0.296 174 HB3 LEU 28 2HB LEU 28 -7.287 4.641 -1.601 175 HG LEU 28 HG LEU 28 -4.946 4.548 -2.388 176 HD11 LEU 28 1HD1 LEU 28 -3.361 3.814 -1.025 177 HD12 LEU 28 2HD1 LEU 28 -4.043 2.194 -1.155 178 HD13 LEU 28 3HD1 LEU 28 -4.563 3.267 0.144 179 HD21 LEU 28 3HD2 LEU 28 -5.088 1.962 -2.909 180 HD22 LEU 28 1HD2 LEU 28 -6.211 3.114 -3.633 181 HD23 LEU 28 2HD2 LEU 28 -6.707 2.159 -2.236 182 H SER 29 H SER 29 -7.209 7.225 -1.572 183 HA SER 29 HA SER 29 -5.021 7.998 -3.136 184 HB2 SER 29 1HB SER 29 -7.266 8.451 -3.893 185 HB3 SER 29 2HB SER 29 -7.587 9.466 -2.488 186 HG SER 29 HG SER 29 -5.959 9.987 -4.725 187 H VAL 30 H VAL 30 -6.538 9.727 -0.410 188 HA VAL 30 HA VAL 30 -4.650 11.806 -0.288 189 HB VAL 30 HB VAL 30 -6.373 10.694 1.933 190 HG11 VAL 30 1HG1 VAL 30 -5.960 13.395 2.376 191 HG12 VAL 30 2HG1 VAL 30 -5.207 12.062 3.252 192 HG13 VAL 30 3HG1 VAL 30 -4.377 12.797 1.881 193 HG21 VAL 30 3HG2 VAL 30 -8.111 11.826 1.092 194 HG22 VAL 30 1HG2 VAL 30 -7.123 13.236 0.713 195 HG23 VAL 30 2HG2 VAL 30 -7.186 11.877 -0.408 196 H HIS 31 H HIS 31 -4.655 8.573 1.025 197 HA HIS 31 HA HIS 31 -2.552 8.961 2.902 198 HB2 HIS 31 1HB HIS 31 -3.716 7.057 3.426 199 HB3 HIS 31 2HB HIS 31 -3.983 6.626 1.739 200 HD1 HIS 31 HD1 HIS 31 -1.188 6.604 4.307 201 HD2 HIS 31 HD2 HIS 31 -2.328 4.680 0.805 202 HE1 HIS 31 HE1 HIS 31 0.470 4.739 3.993 203 H GLN 32 H GLN 32 -2.598 7.336 -0.275 204 HA GLN 32 HA GLN 32 -0.004 6.676 -0.611 205 HB2 GLN 32 1HB GLN 32 -2.059 7.711 -2.509 206 HB3 GLN 32 2HB GLN 32 -0.407 7.536 -3.087 207 HG2 GLN 32 1HG GLN 32 -0.478 5.161 -2.318 208 HG3 GLN 32 2HG GLN 32 -2.194 5.385 -1.984 209 HE21 GLN 32 1HE2 GLN 32 -2.398 3.610 -3.530 210 HE22 GLN 32 2HE2 GLN 32 -2.452 3.980 -5.216 211 H ARG 33 H ARG 33 -1.310 9.907 -0.572 212 HA ARG 33 HA ARG 33 0.712 11.357 -1.780 213 HB2 ARG 33 1HB ARG 33 -0.902 12.129 0.659 214 HB3 ARG 33 2HB ARG 33 0.002 13.242 -0.360 215 HG2 ARG 33 1HG ARG 33 -1.499 12.206 -2.255 216 HG3 ARG 33 2HG ARG 33 -2.557 11.831 -0.893 217 HD2 ARG 33 1HD ARG 33 -1.451 14.572 -1.479 218 HD3 ARG 33 2HD ARG 33 -3.040 14.013 -2.001 219 HE ARG 33 HE ARG 33 -3.163 13.582 0.631 220 HH11 ARG 33 1HH1 ARG 33 -2.087 16.345 -1.193 221 HH12 ARG 33 2HH1 ARG 33 -2.545 17.490 0.024 222 HH21 ARG 33 1HH2 ARG 33 -3.769 15.080 2.241 223 HH22 ARG 33 2HH2 ARG 33 -3.500 16.769 1.977 224 H ILE 34 H ILE 34 0.493 10.248 1.583 225 HA ILE 34 HA ILE 34 2.633 11.449 2.748 226 HB ILE 34 HB ILE 34 2.781 9.662 4.283 227 HG12 ILE 34 1HG1 ILE 34 1.437 7.886 2.235 228 HG13 ILE 34 2HG1 ILE 34 3.160 7.880 2.590 229 HG21 ILE 34 1HG2 ILE 34 0.726 10.009 5.047 230 HG22 ILE 34 2HG2 ILE 34 0.303 10.691 3.478 231 HG23 ILE 34 3HG2 ILE 34 0.038 8.977 3.794 232 HD11 ILE 34 3HD1 ILE 34 0.882 6.917 4.253 233 HD12 ILE 34 1HD1 ILE 34 2.387 6.102 3.826 234 HD13 ILE 34 2HD1 ILE 34 2.395 7.403 5.018 235 H HIS 35 H HIS 35 2.709 9.146 0.182 236 HA HIS 35 HA HIS 35 5.518 8.518 0.534 237 HB2 HIS 35 1HB HIS 35 3.827 7.827 -1.863 238 HB3 HIS 35 2HB HIS 35 5.268 7.004 -1.273 239 HD1 HIS 35 HD1 HIS 35 4.657 6.335 1.544 240 HD2 HIS 35 HD2 HIS 35 1.755 6.161 -1.424 241 HE1 HIS 35 HE1 HIS 35 2.892 4.771 2.419 242 H SER 36 H SER 36 4.636 11.301 0.039 243 HA SER 36 HA SER 36 6.349 11.812 -2.292 244 HB2 SER 36 1HB SER 36 4.080 12.092 -3.098 245 HB3 SER 36 2HB SER 36 3.681 13.127 -1.727 246 HG SER 36 HG SER 36 5.266 14.607 -2.530 247 H GLY 37 H GLY 37 8.084 12.758 -1.429 248 HA2 GLY 37 1HA GLY 37 7.783 14.551 0.858 249 HA3 GLY 37 2HA GLY 37 9.297 13.933 0.212 250 H LYS 38 H LYS 38 10.272 15.956 0.153 251 HA LYS 38 HA LYS 38 9.189 17.790 -1.885 252 HB2 LYS 38 1HB LYS 38 10.714 18.443 0.641 253 HB3 LYS 38 2HB LYS 38 10.374 19.611 -0.629 254 HG2 LYS 38 1HG LYS 38 8.225 18.090 0.822 255 HG3 LYS 38 2HG LYS 38 8.829 19.662 1.349 256 HD2 LYS 38 1HD LYS 38 8.107 20.695 -0.686 257 HD3 LYS 38 2HD LYS 38 7.705 19.131 -1.398 258 HE2 LYS 38 1HE LYS 38 6.387 20.178 1.096 259 HE3 LYS 38 2HE LYS 38 5.766 20.509 -0.520 260 HZ1 LYS 38 3HZ LYS 38 6.320 17.723 0.118 261 HZ2 LYS 38 1HZ LYS 38 5.054 18.398 -0.779 262 HZ3 LYS 38 2HZ LYS 38 5.002 18.426 0.911 263 H LYS 39 H LYS 39 12.130 16.535 -0.359 264 HA LYS 39 HA LYS 39 14.109 17.692 -1.819 265 HB2 LYS 39 1HB LYS 39 13.848 14.824 -0.920 266 HB3 LYS 39 2HB LYS 39 15.324 15.467 -1.629 267 HG2 LYS 39 1HG LYS 39 15.796 16.774 0.195 268 HG3 LYS 39 2HG LYS 39 14.107 16.872 0.699 269 HD2 LYS 39 1HD LYS 39 14.148 14.631 1.521 270 HD3 LYS 39 2HD LYS 39 15.735 14.338 0.808 271 HE2 LYS 39 1HE LYS 39 15.383 16.538 2.799 272 HE3 LYS 39 2HE LYS 39 15.514 14.870 3.355 273 HZ1 LYS 39 3HZ LYS 39 17.611 14.738 2.030 274 HZ2 LYS 39 1HZ LYS 39 17.679 15.787 3.356 275 HZ3 LYS 39 2HZ LYS 39 17.508 16.410 1.793 276 HA PRO 40 HA PRO 40 13.459 16.647 -6.049 277 HB2 PRO 40 1HB PRO 40 15.986 17.031 -6.966 278 HB3 PRO 40 2HB PRO 40 14.907 18.364 -6.536 279 HG2 PRO 40 1HG PRO 40 17.118 17.126 -4.942 280 HG3 PRO 40 2HG PRO 40 16.713 18.840 -5.150 281 HD2 PRO 40 1HD PRO 40 16.015 17.435 -2.943 282 HD3 PRO 40 2HD PRO 40 15.022 18.759 -3.586 283 H SER 41 H SER 41 16.200 15.188 -4.342 284 HA SER 41 HA SER 41 17.084 13.264 -6.006 285 HB2 SER 41 1HB SER 41 17.516 13.704 -3.427 286 HB3 SER 41 2HB SER 41 16.399 12.351 -3.244 287 HG SER 41 HG SER 41 18.974 12.412 -4.307 288 H GLY 42 H GLY 42 16.563 11.065 -6.453 289 HA2 GLY 42 1HA GLY 42 14.167 9.813 -5.651 290 HA3 GLY 42 2HA GLY 42 13.902 10.618 -7.191 291 HA PRO 43 HA PRO 43 15.311 6.859 -9.029 292 HB2 PRO 43 1HB PRO 43 15.532 7.774 -11.575 293 HB3 PRO 43 2HB PRO 43 13.977 7.420 -10.813 294 HG2 PRO 43 1HG PRO 43 15.350 10.054 -11.180 295 HG3 PRO 43 2HG PRO 43 13.640 9.643 -11.407 296 HD2 PRO 43 1HD PRO 43 14.557 10.885 -9.183 297 HD3 PRO 43 2HD PRO 43 13.183 9.762 -9.151 298 H SER 44 H SER 44 17.148 9.531 -8.414 299 HA SER 44 HA SER 44 19.371 10.009 -8.488 300 HB2 SER 44 1HB SER 44 20.875 8.222 -8.182 301 HB3 SER 44 2HB SER 44 19.354 7.616 -7.528 302 HG SER 44 HG SER 44 20.815 6.503 -9.380 303 H SER 45 H SER 45 18.016 10.525 -10.830 304 HA SER 45 HA SER 45 20.026 9.850 -12.878 305 HB2 SER 45 1HB SER 45 17.041 10.216 -13.193 306 HB3 SER 45 2HB SER 45 18.164 10.141 -14.551 307 HG SER 45 HG SER 45 17.438 8.127 -12.726 308 H GLY 46 H GLY 46 20.230 11.483 -14.616 309 HA2 GLY 46 1HA GLY 46 20.751 14.034 -13.560 310 HA3 GLY 46 2HA GLY 46 20.712 13.629 -15.270 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -8.212 -21.734 18.652 2 HA2 GLY 1 1HA GLY 1 -6.675 -19.741 19.551 3 HA3 GLY 1 2HA GLY 1 -5.624 -20.447 18.332 4 H SER 2 H SER 2 -8.276 -18.385 18.934 5 HA SER 2 HA SER 2 -8.373 -17.684 16.104 6 HB2 SER 2 1HB SER 2 -10.744 -18.602 17.722 7 HB3 SER 2 2HB SER 2 -10.934 -17.560 16.311 8 HG SER 2 HG SER 2 -10.982 -20.009 16.094 9 H SER 3 H SER 3 -8.955 -15.555 15.703 10 HA SER 3 HA SER 3 -8.368 -13.685 17.716 11 HB2 SER 3 1HB SER 3 -9.181 -11.992 16.067 12 HB3 SER 3 2HB SER 3 -8.017 -13.128 15.387 13 HG SER 3 HG SER 3 -10.117 -14.323 14.825 14 H GLY 4 H GLY 4 -11.477 -14.568 16.219 15 HA2 GLY 4 1HA GLY 4 -13.585 -14.602 17.183 16 HA3 GLY 4 2HA GLY 4 -12.866 -14.059 18.693 17 H SER 5 H SER 5 -12.800 -12.554 15.480 18 HA SER 5 HA SER 5 -14.738 -10.571 16.096 19 HB2 SER 5 1HB SER 5 -12.651 -9.942 17.507 20 HB3 SER 5 2HB SER 5 -11.949 -9.451 15.965 21 HG SER 5 HG SER 5 -13.367 -7.943 17.416 22 H SER 6 H SER 6 -15.620 -10.412 14.148 23 HA SER 6 HA SER 6 -13.949 -10.573 11.763 24 HB2 SER 6 1HB SER 6 -16.075 -11.898 11.964 25 HB3 SER 6 2HB SER 6 -16.963 -10.375 11.926 26 HG SER 6 HG SER 6 -15.107 -10.797 9.901 27 H GLY 7 H GLY 7 -16.501 -8.432 13.044 28 HA2 GLY 7 1HA GLY 7 -16.689 -6.135 12.930 29 HA3 GLY 7 2HA GLY 7 -15.070 -6.082 12.249 30 H THR 8 H THR 8 -18.421 -5.928 11.609 31 HA THR 8 HA THR 8 -18.612 -6.579 8.928 32 HB THR 8 HB THR 8 -20.599 -6.047 10.178 33 HG1 THR 8 HG1 THR 8 -20.021 -4.959 7.799 34 HG21 THR 8 3HG2 THR 8 -19.602 -4.326 11.644 35 HG22 THR 8 1HG2 THR 8 -21.128 -3.801 10.933 36 HG23 THR 8 2HG2 THR 8 -19.601 -3.199 10.288 37 H GLY 9 H GLY 9 -17.987 -5.675 7.052 38 HA2 GLY 9 1HA GLY 9 -17.710 -3.290 6.060 39 HA3 GLY 9 2HA GLY 9 -16.399 -3.210 7.227 40 H GLU 10 H GLU 10 -16.359 -3.062 4.280 41 HA GLU 10 HA GLU 10 -14.541 -5.328 3.784 42 HB2 GLU 10 1HB GLU 10 -16.520 -4.008 1.937 43 HB3 GLU 10 2HB GLU 10 -15.170 -4.953 1.326 44 HG2 GLU 10 1HG GLU 10 -16.950 -6.447 1.361 45 HG3 GLU 10 2HG GLU 10 -16.031 -6.833 2.815 46 H LYS 11 H LYS 11 -12.658 -4.912 2.609 47 HA LYS 11 HA LYS 11 -12.043 -2.089 2.076 48 HB2 LYS 11 1HB LYS 11 -10.353 -4.049 3.630 49 HB3 LYS 11 2HB LYS 11 -9.723 -2.544 2.972 50 HG2 LYS 11 1HG LYS 11 -11.009 -1.236 4.414 51 HG3 LYS 11 2HG LYS 11 -12.095 -2.572 4.802 52 HD2 LYS 11 1HD LYS 11 -10.774 -2.444 6.699 53 HD3 LYS 11 2HD LYS 11 -9.958 -3.695 5.759 54 HE2 LYS 11 1HE LYS 11 -8.173 -2.385 6.351 55 HE3 LYS 11 2HE LYS 11 -8.611 -1.651 4.809 56 HZ1 LYS 11 3HZ LYS 11 -8.281 0.079 6.385 57 HZ2 LYS 11 1HZ LYS 11 -9.292 -0.662 7.522 58 HZ3 LYS 11 2HZ LYS 11 -9.946 -0.020 6.100 59 HA PRO 12 HA PRO 12 -10.996 -4.773 -1.548 60 HB2 PRO 12 1HB PRO 12 -12.008 -3.059 -3.394 61 HB3 PRO 12 2HB PRO 12 -12.994 -4.269 -2.563 62 HG2 PRO 12 1HG PRO 12 -12.699 -1.346 -1.988 63 HG3 PRO 12 2HG PRO 12 -14.168 -2.339 -2.009 64 HD2 PRO 12 1HD PRO 12 -12.911 -1.648 0.287 65 HD3 PRO 12 2HD PRO 12 -13.778 -3.186 0.099 66 H TYR 13 H TYR 13 -10.127 -1.736 -0.350 67 HA TYR 13 HA TYR 13 -8.160 -1.283 -2.481 68 HB2 TYR 13 1HB TYR 13 -8.801 0.591 -0.206 69 HB3 TYR 13 2HB TYR 13 -7.984 0.965 -1.719 70 HD1 TYR 13 HD1 TYR 13 -11.238 0.243 -0.160 71 HD2 TYR 13 HD2 TYR 13 -9.228 1.404 -3.726 72 HE1 TYR 13 HE1 TYR 13 -13.390 0.905 -1.150 73 HE2 TYR 13 HE2 TYR 13 -11.375 2.071 -4.725 74 HH TYR 13 HH TYR 13 -13.633 2.777 -3.935 75 H GLU 14 H GLU 14 -5.985 -1.265 -2.092 76 HA GLU 14 HA GLU 14 -4.925 -1.422 0.580 77 HB2 GLU 14 1HB GLU 14 -5.632 -3.757 0.177 78 HB3 GLU 14 2HB GLU 14 -4.621 -3.801 -1.261 79 HG2 GLU 14 1HG GLU 14 -2.695 -3.201 0.330 80 HG3 GLU 14 2HG GLU 14 -3.797 -3.698 1.612 81 H CYS 15 H CYS 15 -3.287 -0.048 0.438 82 HA CYS 15 HA CYS 15 -2.025 0.774 -1.904 83 HB2 CYS 15 1HB CYS 15 -2.017 1.730 0.571 84 HB3 CYS 15 2HB CYS 15 -0.502 0.839 0.661 85 H SER 16 H SER 16 0.042 0.357 -2.768 86 HA SER 16 HA SER 16 1.071 -2.326 -2.120 87 HB2 SER 16 1HB SER 16 1.898 -2.414 -4.437 88 HB3 SER 16 2HB SER 16 0.156 -2.141 -4.393 89 HG SER 16 HG SER 16 1.336 -0.763 -5.871 90 H VAL 17 H VAL 17 2.121 0.874 -3.276 91 HA VAL 17 HA VAL 17 4.801 0.722 -3.250 92 HB VAL 17 HB VAL 17 4.846 3.057 -2.253 93 HG11 VAL 17 1HG1 VAL 17 2.942 2.576 -4.544 94 HG12 VAL 17 2HG1 VAL 17 3.824 4.068 -4.211 95 HG13 VAL 17 3HG1 VAL 17 4.701 2.606 -4.666 96 HG21 VAL 17 3HG2 VAL 17 2.035 2.311 -1.765 97 HG22 VAL 17 1HG2 VAL 17 3.079 3.437 -0.899 98 HG23 VAL 17 2HG2 VAL 17 2.303 3.933 -2.403 99 H CYS 18 H CYS 18 2.784 0.999 -0.348 100 HA CYS 18 HA CYS 18 5.152 0.325 1.271 101 HB2 CYS 18 1HB CYS 18 4.140 1.488 3.129 102 HB3 CYS 18 2HB CYS 18 4.164 2.564 1.736 103 H GLY 19 H GLY 19 1.687 -0.234 0.825 104 HA2 GLY 19 1HA GLY 19 0.803 -2.467 0.943 105 HA3 GLY 19 2HA GLY 19 2.040 -2.850 2.131 106 H LYS 20 H LYS 20 -0.791 -0.753 1.652 107 HA LYS 20 HA LYS 20 -1.468 -1.201 4.484 108 HB2 LYS 20 1HB LYS 20 -0.633 1.167 3.757 109 HB3 LYS 20 2HB LYS 20 -2.243 1.326 3.068 110 HG2 LYS 20 1HG LYS 20 -3.262 1.399 5.103 111 HG3 LYS 20 2HG LYS 20 -2.020 0.418 5.885 112 HD2 LYS 20 1HD LYS 20 -0.464 2.390 5.597 113 HD3 LYS 20 2HD LYS 20 -1.883 3.331 5.132 114 HE2 LYS 20 1HE LYS 20 -2.897 2.490 7.344 115 HE3 LYS 20 2HE LYS 20 -1.241 2.067 7.775 116 HZ1 LYS 20 3HZ LYS 20 -1.391 4.179 8.598 117 HZ2 LYS 20 1HZ LYS 20 -2.438 4.717 7.383 118 HZ3 LYS 20 2HZ LYS 20 -0.792 4.514 7.051 119 H ALA 21 H ALA 21 -3.887 -0.453 4.813 120 HA ALA 21 HA ALA 21 -5.527 -1.326 2.544 121 HB1 ALA 21 3HB ALA 21 -5.437 -2.572 5.263 122 HB2 ALA 21 1HB ALA 21 -6.920 -2.608 4.309 123 HB3 ALA 21 2HB ALA 21 -5.447 -3.345 3.678 124 H PHE 22 H PHE 22 -7.611 -0.483 2.490 125 HA PHE 22 HA PHE 22 -8.444 1.294 4.650 126 HB2 PHE 22 1HB PHE 22 -8.267 2.227 1.778 127 HB3 PHE 22 2HB PHE 22 -8.851 3.167 3.148 128 HD1 PHE 22 HD1 PHE 22 -5.888 1.727 1.534 129 HD2 PHE 22 HD2 PHE 22 -7.336 4.189 4.689 130 HE1 PHE 22 HE1 PHE 22 -3.604 2.550 1.934 131 HE2 PHE 22 HE2 PHE 22 -5.055 5.018 5.094 132 HZ PHE 22 HZ PHE 22 -3.186 4.199 3.715 133 H SER 23 H SER 23 -10.694 2.172 4.199 134 HA SER 23 HA SER 23 -12.303 -0.004 3.059 135 HB2 SER 23 1HB SER 23 -12.501 0.958 5.526 136 HB3 SER 23 2HB SER 23 -13.522 2.153 4.727 137 HG SER 23 HG SER 23 -14.909 0.564 5.210 138 H HIS 24 H HIS 24 -11.698 3.433 2.882 139 HA HIS 24 HA HIS 24 -13.578 3.602 0.618 140 HB2 HIS 24 1HB HIS 24 -13.468 6.150 1.235 141 HB3 HIS 24 2HB HIS 24 -14.532 5.070 2.130 142 HD1 HIS 24 HD1 HIS 24 -12.531 7.769 2.842 143 HD2 HIS 24 HD2 HIS 24 -12.678 3.932 4.428 144 HE1 HIS 24 HE1 HIS 24 -11.471 7.940 5.117 145 H ARG 25 H ARG 25 -12.776 4.215 -1.297 146 HA ARG 25 HA ARG 25 -10.127 4.177 -1.943 147 HB2 ARG 25 1HB ARG 25 -11.753 4.106 -3.686 148 HB3 ARG 25 2HB ARG 25 -12.392 5.684 -3.245 149 HG2 ARG 25 1HG ARG 25 -11.110 5.946 -5.228 150 HG3 ARG 25 2HG ARG 25 -10.197 6.672 -3.903 151 HD2 ARG 25 1HD ARG 25 -8.538 5.472 -4.920 152 HD3 ARG 25 2HD ARG 25 -9.127 4.270 -3.772 153 HE ARG 25 HE ARG 25 -9.941 3.026 -5.528 154 HH11 ARG 25 1HH1 ARG 25 -9.008 6.184 -6.655 155 HH12 ARG 25 2HH1 ARG 25 -9.160 5.774 -8.331 156 HH21 ARG 25 1HH2 ARG 25 -10.144 2.473 -7.731 157 HH22 ARG 25 2HH2 ARG 25 -9.806 3.663 -8.942 158 H GLN 26 H GLN 26 -12.041 7.027 -1.056 159 HA GLN 26 HA GLN 26 -10.207 9.028 -1.506 160 HB2 GLN 26 1HB GLN 26 -12.562 9.338 -0.735 161 HB3 GLN 26 2HB GLN 26 -12.053 8.868 0.881 162 HG2 GLN 26 1HG GLN 26 -10.382 10.789 0.723 163 HG3 GLN 26 2HG GLN 26 -11.323 11.325 -0.668 164 HE21 GLN 26 1HE2 GLN 26 -12.403 13.048 0.002 165 HE22 GLN 26 2HE2 GLN 26 -13.391 13.129 1.417 166 H SER 27 H SER 27 -10.473 6.908 1.316 167 HA SER 27 HA SER 27 -8.528 8.116 2.916 168 HB2 SER 27 1HB SER 27 -10.208 6.086 3.328 169 HB3 SER 27 2HB SER 27 -8.765 5.144 2.959 170 HG SER 27 HG SER 27 -9.360 6.167 5.252 171 H LEU 28 H LEU 28 -8.205 5.453 0.580 172 HA LEU 28 HA LEU 28 -5.471 4.995 0.911 173 HB2 LEU 28 1HB LEU 28 -6.817 3.430 -0.287 174 HB3 LEU 28 2HB LEU 28 -7.264 4.646 -1.482 175 HG LEU 28 HG LEU 28 -5.001 4.648 -2.363 176 HD11 LEU 28 1HD1 LEU 28 -4.311 2.381 -0.527 177 HD12 LEU 28 2HD1 LEU 28 -4.002 4.058 -0.077 178 HD13 LEU 28 3HD1 LEU 28 -3.241 3.377 -1.515 179 HD21 LEU 28 3HD2 LEU 28 -6.860 2.645 -2.652 180 HD22 LEU 28 1HD2 LEU 28 -5.374 1.759 -2.308 181 HD23 LEU 28 2HD2 LEU 28 -5.435 2.885 -3.664 182 H SER 29 H SER 29 -7.173 7.197 -1.285 183 HA SER 29 HA SER 29 -4.949 8.120 -2.707 184 HB2 SER 29 1HB SER 29 -7.534 9.538 -2.025 185 HB3 SER 29 2HB SER 29 -6.360 10.120 -3.205 186 HG SER 29 HG SER 29 -8.243 8.162 -3.441 187 H VAL 30 H VAL 30 -6.615 9.722 0.013 188 HA VAL 30 HA VAL 30 -4.797 11.789 0.386 189 HB VAL 30 HB VAL 30 -6.441 10.401 2.508 190 HG11 VAL 30 1HG1 VAL 30 -6.304 12.682 3.600 191 HG12 VAL 30 2HG1 VAL 30 -4.825 11.720 3.617 192 HG13 VAL 30 3HG1 VAL 30 -5.004 13.043 2.464 193 HG21 VAL 30 3HG2 VAL 30 -7.467 12.935 1.644 194 HG22 VAL 30 1HG2 VAL 30 -7.261 11.866 0.256 195 HG23 VAL 30 2HG2 VAL 30 -8.246 11.352 1.626 196 H HIS 31 H HIS 31 -4.373 8.471 0.933 197 HA HIS 31 HA HIS 31 -2.292 8.832 2.941 198 HB2 HIS 31 1HB HIS 31 -3.518 6.923 3.446 199 HB3 HIS 31 2HB HIS 31 -3.694 6.465 1.754 200 HD1 HIS 31 HD1 HIS 31 -1.049 6.548 4.468 201 HD2 HIS 31 HD2 HIS 31 -1.884 4.621 0.883 202 HE1 HIS 31 HE1 HIS 31 0.707 4.762 4.240 203 H GLN 32 H GLN 32 -2.493 7.094 -0.172 204 HA GLN 32 HA GLN 32 0.110 6.600 -0.677 205 HB2 GLN 32 1HB GLN 32 -2.168 7.339 -2.447 206 HB3 GLN 32 2HB GLN 32 -0.560 7.294 -3.159 207 HG2 GLN 32 1HG GLN 32 -0.389 4.956 -2.107 208 HG3 GLN 32 2HG GLN 32 -2.141 5.066 -1.943 209 HE21 GLN 32 1HE2 GLN 32 -2.928 3.751 -3.440 210 HE22 GLN 32 2HE2 GLN 32 -2.520 3.779 -5.119 211 H ARG 33 H ARG 33 -1.499 9.719 -1.071 212 HA ARG 33 HA ARG 33 0.353 11.202 -2.402 213 HB2 ARG 33 1HB ARG 33 -0.513 13.144 -1.314 214 HB3 ARG 33 2HB ARG 33 -1.843 12.006 -1.483 215 HG2 ARG 33 1HG ARG 33 -1.462 11.311 0.876 216 HG3 ARG 33 2HG ARG 33 -0.268 12.604 1.010 217 HD2 ARG 33 1HD ARG 33 -3.087 13.126 0.114 218 HD3 ARG 33 2HD ARG 33 -2.643 13.094 1.820 219 HE ARG 33 HE ARG 33 -0.997 14.831 0.228 220 HH11 ARG 33 1HH1 ARG 33 -3.950 14.559 2.052 221 HH12 ARG 33 2HH1 ARG 33 -4.066 16.259 2.366 222 HH21 ARG 33 1HH2 ARG 33 -1.139 17.071 0.634 223 HH22 ARG 33 2HH2 ARG 33 -2.467 17.687 1.558 224 H ILE 34 H ILE 34 0.439 10.310 1.022 225 HA ILE 34 HA ILE 34 2.550 11.801 1.932 226 HB ILE 34 HB ILE 34 2.866 10.234 3.650 227 HG12 ILE 34 1HG1 ILE 34 1.691 8.141 1.807 228 HG13 ILE 34 2HG1 ILE 34 3.388 8.292 2.249 229 HG21 ILE 34 1HG2 ILE 34 0.257 10.893 2.797 230 HG22 ILE 34 2HG2 ILE 34 0.205 9.242 3.414 231 HG23 ILE 34 3HG2 ILE 34 0.815 10.545 4.433 232 HD11 ILE 34 3HD1 ILE 34 1.102 7.589 4.070 233 HD12 ILE 34 1HD1 ILE 34 2.394 6.524 3.517 234 HD13 ILE 34 2HD1 ILE 34 2.760 7.866 4.602 235 H HIS 35 H HIS 35 2.648 8.923 -0.083 236 HA HIS 35 HA HIS 35 5.477 8.572 0.068 237 HB2 HIS 35 1HB HIS 35 3.695 7.583 -2.156 238 HB3 HIS 35 2HB HIS 35 5.205 6.882 -1.581 239 HD1 HIS 35 HD1 HIS 35 4.748 6.539 1.352 240 HD2 HIS 35 HD2 HIS 35 1.777 5.816 -1.461 241 HE1 HIS 35 HE1 HIS 35 3.125 4.981 2.475 242 H SER 36 H SER 36 3.354 10.526 -1.846 243 HA SER 36 HA SER 36 5.267 11.048 -3.932 244 HB2 SER 36 1HB SER 36 2.608 12.301 -3.227 245 HB3 SER 36 2HB SER 36 3.591 12.830 -4.592 246 HG SER 36 HG SER 36 2.485 10.250 -4.177 247 H GLY 37 H GLY 37 7.002 11.648 -2.389 248 HA2 GLY 37 1HA GLY 37 8.423 13.429 -1.881 249 HA3 GLY 37 2HA GLY 37 7.082 14.539 -2.125 250 H LYS 38 H LYS 38 8.854 12.648 0.148 251 HA LYS 38 HA LYS 38 7.243 13.813 2.320 252 HB2 LYS 38 1HB LYS 38 7.671 11.794 3.658 253 HB3 LYS 38 2HB LYS 38 6.772 11.425 2.192 254 HG2 LYS 38 1HG LYS 38 8.285 9.739 2.124 255 HG3 LYS 38 2HG LYS 38 9.205 10.968 1.253 256 HD2 LYS 38 1HD LYS 38 10.541 11.449 3.121 257 HD3 LYS 38 2HD LYS 38 9.426 10.650 4.232 258 HE2 LYS 38 1HE LYS 38 9.996 8.537 2.791 259 HE3 LYS 38 2HE LYS 38 11.433 9.465 2.366 260 HZ1 LYS 38 3HZ LYS 38 10.578 8.814 5.135 261 HZ2 LYS 38 1HZ LYS 38 11.981 9.651 4.697 262 HZ3 LYS 38 2HZ LYS 38 11.804 8.022 4.281 263 H LYS 39 H LYS 39 10.371 12.954 1.066 264 HA LYS 39 HA LYS 39 11.710 14.928 2.558 265 HB2 LYS 39 1HB LYS 39 11.268 13.159 4.339 266 HB3 LYS 39 2HB LYS 39 12.399 12.135 3.464 267 HG2 LYS 39 1HG LYS 39 14.103 13.957 3.731 268 HG3 LYS 39 2HG LYS 39 12.964 14.762 4.813 269 HD2 LYS 39 1HD LYS 39 13.633 11.903 5.315 270 HD3 LYS 39 2HD LYS 39 14.822 13.136 5.741 271 HE2 LYS 39 1HE LYS 39 11.952 13.299 6.621 272 HE3 LYS 39 2HE LYS 39 13.171 12.428 7.551 273 HZ1 LYS 39 3HZ LYS 39 12.989 14.629 8.410 274 HZ2 LYS 39 1HZ LYS 39 13.171 15.318 6.876 275 HZ3 LYS 39 2HZ LYS 39 14.472 14.519 7.604 276 HA PRO 40 HA PRO 40 14.423 14.195 -0.846 277 HB2 PRO 40 1HB PRO 40 16.460 15.808 -0.059 278 HB3 PRO 40 2HB PRO 40 14.939 16.430 -0.709 279 HG2 PRO 40 1HG PRO 40 15.822 16.186 2.141 280 HG3 PRO 40 2HG PRO 40 14.983 17.527 1.341 281 HD2 PRO 40 1HD PRO 40 13.693 15.718 2.889 282 HD3 PRO 40 2HD PRO 40 12.927 16.495 1.488 283 H SER 41 H SER 41 14.854 13.045 2.235 284 HA SER 41 HA SER 41 17.407 12.374 2.707 285 HB2 SER 41 1HB SER 41 15.669 11.535 4.141 286 HB3 SER 41 2HB SER 41 15.005 10.541 2.845 287 HG SER 41 HG SER 41 17.672 10.122 3.504 288 H GLY 42 H GLY 42 15.346 10.246 0.708 289 HA2 GLY 42 1HA GLY 42 17.762 9.580 -0.857 290 HA3 GLY 42 2HA GLY 42 16.624 8.344 -0.342 291 HA PRO 43 HA PRO 43 15.503 9.764 -4.633 292 HB2 PRO 43 1HB PRO 43 15.369 7.269 -5.695 293 HB3 PRO 43 2HB PRO 43 16.868 8.203 -5.623 294 HG2 PRO 43 1HG PRO 43 15.907 6.022 -3.812 295 HG3 PRO 43 2HG PRO 43 17.528 6.289 -4.479 296 HD2 PRO 43 1HD PRO 43 16.863 6.982 -1.948 297 HD3 PRO 43 2HD PRO 43 18.049 7.891 -2.906 298 H SER 44 H SER 44 13.498 10.376 -3.606 299 HA SER 44 HA SER 44 11.443 8.267 -3.747 300 HB2 SER 44 1HB SER 44 11.869 9.119 -1.436 301 HB3 SER 44 2HB SER 44 11.382 10.724 -1.980 302 HG SER 44 HG SER 44 9.432 10.095 -1.557 303 H SER 45 H SER 45 10.748 8.616 -5.817 304 HA SER 45 HA SER 45 10.008 11.321 -6.630 305 HB2 SER 45 1HB SER 45 11.260 9.529 -8.086 306 HB3 SER 45 2HB SER 45 9.634 8.910 -8.373 307 HG SER 45 HG SER 45 10.555 11.546 -8.888 308 H GLY 46 H GLY 46 7.903 11.598 -7.787 309 HA2 GLY 46 1HA GLY 46 5.759 9.786 -7.277 310 HA3 GLY 46 2HA GLY 46 5.745 11.123 -6.137 Start of MODEL 7 1 H1 GLY 1 H GLY 1 5.398 -22.298 0.072 2 HA2 GLY 1 1HA GLY 1 6.463 -22.083 2.604 3 HA3 GLY 1 2HA GLY 1 6.173 -20.429 2.087 4 H SER 2 H SER 2 4.716 -23.455 2.999 5 HA SER 2 HA SER 2 2.031 -22.850 2.448 6 HB2 SER 2 1HB SER 2 3.218 -24.623 4.595 7 HB3 SER 2 2HB SER 2 1.511 -24.593 4.152 8 HG SER 2 HG SER 2 3.667 -25.235 2.418 9 H SER 3 H SER 3 0.797 -21.299 3.248 10 HA SER 3 HA SER 3 1.049 -20.574 6.074 11 HB2 SER 3 1HB SER 3 1.274 -18.688 3.736 12 HB3 SER 3 2HB SER 3 0.736 -18.126 5.319 13 HG SER 3 HG SER 3 2.727 -19.070 6.142 14 H GLY 4 H GLY 4 -0.876 -20.609 7.022 15 HA2 GLY 4 1HA GLY 4 -3.273 -20.736 5.378 16 HA3 GLY 4 2HA GLY 4 -3.174 -21.042 7.105 17 H SER 5 H SER 5 -2.450 -18.273 4.975 18 HA SER 5 HA SER 5 -3.694 -16.504 6.938 19 HB2 SER 5 1HB SER 5 -2.207 -15.760 4.410 20 HB3 SER 5 2HB SER 5 -2.639 -14.687 5.740 21 HG SER 5 HG SER 5 -1.065 -15.503 6.939 22 H SER 6 H SER 6 -5.864 -17.210 6.496 23 HA SER 6 HA SER 6 -7.127 -17.165 4.023 24 HB2 SER 6 1HB SER 6 -8.118 -16.779 6.834 25 HB3 SER 6 2HB SER 6 -9.223 -16.621 5.469 26 HG SER 6 HG SER 6 -7.590 -18.866 5.489 27 H GLY 7 H GLY 7 -7.081 -15.521 2.630 28 HA2 GLY 7 1HA GLY 7 -8.119 -12.938 3.497 29 HA3 GLY 7 2HA GLY 7 -6.485 -12.942 2.851 30 H THR 8 H THR 8 -9.819 -13.866 2.072 31 HA THR 8 HA THR 8 -9.204 -13.840 -0.774 32 HB THR 8 HB THR 8 -11.669 -14.430 -0.993 33 HG1 THR 8 HG1 THR 8 -12.768 -14.950 0.853 34 HG21 THR 8 3HG2 THR 8 -10.726 -16.438 -1.218 35 HG22 THR 8 1HG2 THR 8 -10.967 -16.683 0.511 36 HG23 THR 8 2HG2 THR 8 -9.443 -16.021 -0.082 37 H GLY 9 H GLY 9 -11.355 -12.145 1.501 38 HA2 GLY 9 1HA GLY 9 -11.402 -9.889 -0.400 39 HA3 GLY 9 2HA GLY 9 -12.883 -10.453 0.359 40 H GLU 10 H GLU 10 -9.580 -9.597 1.411 41 HA GLU 10 HA GLU 10 -10.327 -8.754 3.978 42 HB2 GLU 10 1HB GLU 10 -8.124 -7.548 3.967 43 HB3 GLU 10 2HB GLU 10 -8.032 -9.253 3.549 44 HG2 GLU 10 1HG GLU 10 -8.246 -8.286 1.097 45 HG3 GLU 10 2HG GLU 10 -7.566 -6.856 1.871 46 H LYS 11 H LYS 11 -9.460 -6.734 1.167 47 HA LYS 11 HA LYS 11 -11.553 -4.853 1.789 48 HB2 LYS 11 1HB LYS 11 -8.718 -4.323 2.478 49 HB3 LYS 11 2HB LYS 11 -9.589 -3.013 1.691 50 HG2 LYS 11 1HG LYS 11 -11.276 -3.053 3.432 51 HG3 LYS 11 2HG LYS 11 -10.469 -4.420 4.205 52 HD2 LYS 11 1HD LYS 11 -8.430 -2.947 4.406 53 HD3 LYS 11 2HD LYS 11 -9.453 -1.600 3.900 54 HE2 LYS 11 1HE LYS 11 -9.666 -1.402 6.161 55 HE3 LYS 11 2HE LYS 11 -10.994 -2.518 5.846 56 HZ1 LYS 11 3HZ LYS 11 -8.385 -3.039 7.084 57 HZ2 LYS 11 1HZ LYS 11 -9.146 -4.290 6.237 58 HZ3 LYS 11 2HZ LYS 11 -9.922 -3.566 7.554 59 HA PRO 12 HA PRO 12 -11.355 -4.341 -2.576 60 HB2 PRO 12 1HB PRO 12 -12.659 -1.970 -2.806 61 HB3 PRO 12 2HB PRO 12 -13.483 -3.487 -2.425 62 HG2 PRO 12 1HG PRO 12 -12.613 -1.291 -0.586 63 HG3 PRO 12 2HG PRO 12 -14.134 -2.203 -0.599 64 HD2 PRO 12 1HD PRO 12 -12.119 -2.754 1.124 65 HD3 PRO 12 2HD PRO 12 -13.207 -4.007 0.495 66 H TYR 13 H TYR 13 -9.705 -2.376 -0.394 67 HA TYR 13 HA TYR 13 -8.066 -1.285 -2.553 68 HB2 TYR 13 1HB TYR 13 -8.894 0.481 -0.258 69 HB3 TYR 13 2HB TYR 13 -8.121 0.944 -1.769 70 HD1 TYR 13 HD2 TYR 13 -9.457 0.842 -3.900 71 HD2 TYR 13 HD1 TYR 13 -11.248 0.401 -0.066 72 HE1 TYR 13 HE2 TYR 13 -11.658 1.343 -4.877 73 HE2 TYR 13 HE1 TYR 13 -13.454 0.900 -1.032 74 HH TYR 13 HH TYR 13 -14.579 0.841 -3.180 75 H GLU 14 H GLU 14 -5.975 -1.585 -2.158 76 HA GLU 14 HA GLU 14 -4.954 -1.522 0.562 77 HB2 GLU 14 1HB GLU 14 -5.491 -3.837 0.440 78 HB3 GLU 14 2HB GLU 14 -4.847 -3.972 -1.190 79 HG2 GLU 14 1HG GLU 14 -2.598 -3.319 -0.112 80 HG3 GLU 14 2HG GLU 14 -3.378 -3.767 1.403 81 H CYS 15 H CYS 15 -3.313 -0.152 0.429 82 HA CYS 15 HA CYS 15 -2.027 0.683 -1.876 83 HB2 CYS 15 1HB CYS 15 -1.990 1.573 0.621 84 HB3 CYS 15 2HB CYS 15 -0.492 0.650 0.685 85 H SER 16 H SER 16 0.053 0.275 -2.738 86 HA SER 16 HA SER 16 1.071 -2.425 -2.140 87 HB2 SER 16 1HB SER 16 0.037 -2.188 -4.392 88 HB3 SER 16 2HB SER 16 1.226 -0.944 -4.776 89 HG SER 16 HG SER 16 2.695 -2.433 -5.059 90 H VAL 17 H VAL 17 2.021 0.813 -3.247 91 HA VAL 17 HA VAL 17 4.735 0.617 -3.336 92 HB VAL 17 HB VAL 17 4.762 3.005 -2.390 93 HG11 VAL 17 1HG1 VAL 17 3.792 3.918 -4.450 94 HG12 VAL 17 2HG1 VAL 17 4.805 2.509 -4.771 95 HG13 VAL 17 3HG1 VAL 17 3.048 2.355 -4.786 96 HG21 VAL 17 3HG2 VAL 17 2.057 2.229 -1.790 97 HG22 VAL 17 1HG2 VAL 17 2.937 3.682 -1.316 98 HG23 VAL 17 2HG2 VAL 17 2.074 3.635 -2.853 99 H CYS 18 H CYS 18 2.721 0.823 -0.454 100 HA CYS 18 HA CYS 18 5.117 0.280 1.174 101 HB2 CYS 18 1HB CYS 18 4.154 1.544 2.993 102 HB3 CYS 18 2HB CYS 18 4.181 2.557 1.554 103 H GLY 19 H GLY 19 1.702 -0.344 0.632 104 HA2 GLY 19 1HA GLY 19 0.736 -2.491 0.922 105 HA3 GLY 19 2HA GLY 19 2.002 -2.875 2.079 106 H LYS 20 H LYS 20 -0.924 -0.951 1.604 107 HA LYS 20 HA LYS 20 -1.495 -1.266 4.466 108 HB2 LYS 20 1HB LYS 20 -0.593 1.074 3.730 109 HB3 LYS 20 2HB LYS 20 -2.208 1.290 3.069 110 HG2 LYS 20 1HG LYS 20 -3.185 1.410 5.119 111 HG3 LYS 20 2HG LYS 20 -1.984 0.362 5.876 112 HD2 LYS 20 1HD LYS 20 -0.362 2.146 5.880 113 HD3 LYS 20 2HD LYS 20 -1.457 3.192 4.972 114 HE2 LYS 20 1HE LYS 20 -3.054 2.671 7.020 115 HE3 LYS 20 2HE LYS 20 -1.516 2.394 7.836 116 HZ1 LYS 20 3HZ LYS 20 -2.677 4.872 6.858 117 HZ2 LYS 20 1HZ LYS 20 -1.010 4.699 6.624 118 HZ3 LYS 20 2HZ LYS 20 -1.659 4.600 8.182 119 H ALA 21 H ALA 21 -3.893 -0.318 4.787 120 HA ALA 21 HA ALA 21 -5.595 -1.180 2.567 121 HB1 ALA 21 3HB ALA 21 -6.574 -2.132 5.146 122 HB2 ALA 21 1HB ALA 21 -6.484 -2.957 3.589 123 HB3 ALA 21 2HB ALA 21 -5.066 -2.892 4.637 124 H PHE 22 H PHE 22 -7.668 -0.280 2.561 125 HA PHE 22 HA PHE 22 -8.439 1.509 4.715 126 HB2 PHE 22 1HB PHE 22 -8.150 2.559 1.895 127 HB3 PHE 22 2HB PHE 22 -8.653 3.468 3.316 128 HD1 PHE 22 HD1 PHE 22 -5.822 1.911 1.587 129 HD2 PHE 22 HD2 PHE 22 -7.052 4.258 4.918 130 HE1 PHE 22 HE1 PHE 22 -3.479 2.530 2.012 131 HE2 PHE 22 HE2 PHE 22 -4.711 4.881 5.348 132 HZ PHE 22 HZ PHE 22 -2.921 4.017 3.894 133 H SER 23 H SER 23 -10.619 1.778 4.879 134 HA SER 23 HA SER 23 -12.249 0.123 3.121 135 HB2 SER 23 1HB SER 23 -12.553 1.260 5.853 136 HB3 SER 23 2HB SER 23 -14.027 1.000 4.922 137 HG SER 23 HG SER 23 -12.102 -1.039 5.083 138 H HIS 24 H HIS 24 -11.181 2.592 2.083 139 HA HIS 24 HA HIS 24 -13.500 3.624 0.852 140 HB2 HIS 24 1HB HIS 24 -13.284 4.694 3.311 141 HB3 HIS 24 2HB HIS 24 -12.255 5.813 2.422 142 HD1 HIS 24 HD1 HIS 24 -13.396 7.334 0.665 143 HD2 HIS 24 HD2 HIS 24 -16.014 4.860 2.735 144 HE1 HIS 24 HE1 HIS 24 -15.695 8.218 0.162 145 H ARG 25 H ARG 25 -12.712 3.867 -1.128 146 HA ARG 25 HA ARG 25 -10.170 3.995 -2.004 147 HB2 ARG 25 1HB ARG 25 -12.483 4.117 -3.278 148 HB3 ARG 25 2HB ARG 25 -12.105 5.833 -3.345 149 HG2 ARG 25 1HG ARG 25 -9.847 5.104 -4.308 150 HG3 ARG 25 2HG ARG 25 -10.618 3.537 -4.562 151 HD2 ARG 25 1HD ARG 25 -12.222 4.454 -6.030 152 HD3 ARG 25 2HD ARG 25 -11.826 6.104 -5.553 153 HE ARG 25 HE ARG 25 -9.558 4.855 -6.674 154 HH11 ARG 25 1HH1 ARG 25 -12.654 6.175 -7.563 155 HH12 ARG 25 2HH1 ARG 25 -12.160 6.595 -9.170 156 HH21 ARG 25 1HH2 ARG 25 -8.895 5.404 -8.787 157 HH22 ARG 25 2HH2 ARG 25 -10.022 6.155 -9.865 158 H GLN 26 H GLN 26 -12.126 6.885 -1.271 159 HA GLN 26 HA GLN 26 -10.333 8.869 -1.800 160 HB2 GLN 26 1HB GLN 26 -12.669 9.187 -0.984 161 HB3 GLN 26 2HB GLN 26 -12.117 8.792 0.638 162 HG2 GLN 26 1HG GLN 26 -10.892 10.755 0.836 163 HG3 GLN 26 2HG GLN 26 -10.857 11.021 -0.906 164 HE21 GLN 26 1HE2 GLN 26 -11.774 12.670 1.427 165 HE22 GLN 26 2HE2 GLN 26 -13.374 13.166 1.005 166 H SER 27 H SER 27 -10.631 7.162 1.315 167 HA SER 27 HA SER 27 -8.625 8.391 2.724 168 HB2 SER 27 1HB SER 27 -10.256 6.377 3.311 169 HB3 SER 27 2HB SER 27 -8.820 5.420 2.947 170 HG SER 27 HG SER 27 -8.567 5.875 5.041 171 H LEU 28 H LEU 28 -8.259 5.494 0.680 172 HA LEU 28 HA LEU 28 -5.558 5.075 0.947 173 HB2 LEU 28 1HB LEU 28 -6.852 3.503 -0.255 174 HB3 LEU 28 2HB LEU 28 -7.372 4.717 -1.422 175 HG LEU 28 HG LEU 28 -5.152 4.782 -2.392 176 HD11 LEU 28 1HD1 LEU 28 -4.446 2.768 -0.264 177 HD12 LEU 28 2HD1 LEU 28 -3.803 4.401 -0.436 178 HD13 LEU 28 3HD1 LEU 28 -3.428 3.174 -1.646 179 HD21 LEU 28 3HD2 LEU 28 -6.668 2.257 -2.166 180 HD22 LEU 28 1HD2 LEU 28 -5.046 2.143 -2.848 181 HD23 LEU 28 2HD2 LEU 28 -6.241 3.205 -3.591 182 H SER 29 H SER 29 -7.200 7.326 -1.235 183 HA SER 29 HA SER 29 -4.962 8.192 -2.671 184 HB2 SER 29 1HB SER 29 -7.529 9.626 -1.967 185 HB3 SER 29 2HB SER 29 -6.328 10.271 -3.086 186 HG SER 29 HG SER 29 -7.692 7.795 -3.356 187 H VAL 30 H VAL 30 -6.559 9.842 0.062 188 HA VAL 30 HA VAL 30 -4.653 11.832 0.434 189 HB VAL 30 HB VAL 30 -6.363 10.531 2.558 190 HG11 VAL 30 1HG1 VAL 30 -4.824 11.785 3.751 191 HG12 VAL 30 2HG1 VAL 30 -4.707 13.022 2.499 192 HG13 VAL 30 3HG1 VAL 30 -6.145 12.930 3.517 193 HG21 VAL 30 3HG2 VAL 30 -7.461 12.982 1.861 194 HG22 VAL 30 1HG2 VAL 30 -7.004 12.253 0.321 195 HG23 VAL 30 2HG2 VAL 30 -8.078 11.389 1.421 196 H HIS 31 H HIS 31 -4.385 8.500 0.991 197 HA HIS 31 HA HIS 31 -2.326 8.754 3.032 198 HB2 HIS 31 1HB HIS 31 -3.592 6.870 3.484 199 HB3 HIS 31 2HB HIS 31 -3.803 6.474 1.781 200 HD1 HIS 31 HD1 HIS 31 -1.130 6.360 4.466 201 HD2 HIS 31 HD2 HIS 31 -2.082 4.584 0.833 202 HE1 HIS 31 HE1 HIS 31 0.546 4.510 4.162 203 H GLN 32 H GLN 32 -2.535 7.167 -0.160 204 HA GLN 32 HA GLN 32 0.113 6.625 -0.574 205 HB2 GLN 32 1HB GLN 32 -2.097 7.375 -2.456 206 HB3 GLN 32 2HB GLN 32 -0.468 7.123 -3.071 207 HG2 GLN 32 1HG GLN 32 -0.553 4.869 -1.885 208 HG3 GLN 32 2HG GLN 32 -2.287 5.151 -1.736 209 HE21 GLN 32 1HE2 GLN 32 -3.090 6.147 -4.017 210 HE22 GLN 32 2HE2 GLN 32 -2.726 5.111 -5.350 211 H ARG 33 H ARG 33 -1.528 9.712 -0.929 212 HA ARG 33 HA ARG 33 0.275 11.210 -2.332 213 HB2 ARG 33 1HB ARG 33 -0.653 13.129 -1.332 214 HB3 ARG 33 2HB ARG 33 -1.942 11.933 -1.289 215 HG2 ARG 33 1HG ARG 33 -1.262 11.430 1.073 216 HG3 ARG 33 2HG ARG 33 -0.189 12.828 0.983 217 HD2 ARG 33 1HD ARG 33 -3.077 13.105 0.263 218 HD3 ARG 33 2HD ARG 33 -2.589 13.092 1.957 219 HE ARG 33 HE ARG 33 -1.622 15.168 1.676 220 HH11 ARG 33 1HH1 ARG 33 -2.571 13.857 -1.407 221 HH12 ARG 33 2HH1 ARG 33 -2.331 15.345 -2.260 222 HH21 ARG 33 1HH2 ARG 33 -1.303 17.133 0.563 223 HH22 ARG 33 2HH2 ARG 33 -1.609 17.208 -1.139 224 H ILE 34 H ILE 34 0.556 10.052 0.958 225 HA ILE 34 HA ILE 34 2.611 11.662 1.906 226 HB ILE 34 HB ILE 34 3.038 10.028 3.549 227 HG12 ILE 34 1HG1 ILE 34 1.758 7.989 1.714 228 HG13 ILE 34 2HG1 ILE 34 3.485 8.151 2.012 229 HG21 ILE 34 1HG2 ILE 34 0.338 10.592 2.759 230 HG22 ILE 34 2HG2 ILE 34 0.426 9.011 3.532 231 HG23 ILE 34 3HG2 ILE 34 1.019 10.440 4.378 232 HD11 ILE 34 3HD1 ILE 34 2.706 6.345 3.324 233 HD12 ILE 34 1HD1 ILE 34 3.009 7.687 4.427 234 HD13 ILE 34 2HD1 ILE 34 1.357 7.294 3.949 235 H HIS 35 H HIS 35 2.732 8.845 -0.195 236 HA HIS 35 HA HIS 35 5.574 8.583 -0.140 237 HB2 HIS 35 1HB HIS 35 3.835 7.592 -2.383 238 HB3 HIS 35 2HB HIS 35 5.309 6.880 -1.734 239 HD1 HIS 35 HD1 HIS 35 4.852 6.287 1.054 240 HD2 HIS 35 HD2 HIS 35 1.722 6.090 -1.671 241 HE1 HIS 35 HE1 HIS 35 3.124 4.804 2.121 242 H SER 36 H SER 36 3.299 10.420 -2.034 243 HA SER 36 HA SER 36 4.849 11.014 -4.271 244 HB2 SER 36 1HB SER 36 2.802 12.743 -2.862 245 HB3 SER 36 2HB SER 36 3.433 13.047 -4.480 246 HG SER 36 HG SER 36 2.228 10.586 -3.799 247 H GLY 37 H GLY 37 6.863 11.770 -4.244 248 HA2 GLY 37 1HA GLY 37 7.419 14.145 -2.595 249 HA3 GLY 37 2HA GLY 37 8.518 12.775 -2.545 250 H LYS 38 H LYS 38 9.959 12.450 -4.197 251 HA LYS 38 HA LYS 38 10.482 14.736 -5.872 252 HB2 LYS 38 1HB LYS 38 12.415 13.276 -6.666 253 HB3 LYS 38 2HB LYS 38 12.413 13.727 -4.966 254 HG2 LYS 38 1HG LYS 38 11.678 11.569 -4.306 255 HG3 LYS 38 2HG LYS 38 11.343 11.105 -5.976 256 HD2 LYS 38 1HD LYS 38 14.099 11.876 -5.057 257 HD3 LYS 38 2HD LYS 38 13.496 10.222 -4.920 258 HE2 LYS 38 1HE LYS 38 13.194 10.069 -7.289 259 HE3 LYS 38 2HE LYS 38 13.544 11.785 -7.497 260 HZ1 LYS 38 3HZ LYS 38 15.410 10.247 -8.052 261 HZ2 LYS 38 1HZ LYS 38 15.506 9.846 -6.411 262 HZ3 LYS 38 2HZ LYS 38 15.797 11.435 -6.912 263 H LYS 39 H LYS 39 9.614 15.036 -7.804 264 HA LYS 39 HA LYS 39 7.837 13.623 -9.179 265 HB2 LYS 39 1HB LYS 39 9.125 15.816 -9.813 266 HB3 LYS 39 2HB LYS 39 10.111 14.732 -10.786 267 HG2 LYS 39 1HG LYS 39 7.159 14.560 -11.059 268 HG3 LYS 39 2HG LYS 39 7.990 15.946 -11.771 269 HD2 LYS 39 1HD LYS 39 9.584 14.107 -12.740 270 HD3 LYS 39 2HD LYS 39 8.205 13.044 -12.448 271 HE2 LYS 39 1HE LYS 39 6.839 14.219 -13.939 272 HE3 LYS 39 2HE LYS 39 7.893 15.632 -13.932 273 HZ1 LYS 39 3HZ LYS 39 9.597 14.032 -14.963 274 HZ2 LYS 39 1HZ LYS 39 8.357 14.631 -15.946 275 HZ3 LYS 39 2HZ LYS 39 8.260 13.061 -15.325 276 HA PRO 40 HA PRO 40 10.195 9.774 -9.731 277 HB2 PRO 40 1HB PRO 40 7.985 8.220 -9.998 278 HB3 PRO 40 2HB PRO 40 8.631 8.710 -8.427 279 HG2 PRO 40 1HG PRO 40 6.352 9.870 -9.984 280 HG3 PRO 40 2HG PRO 40 6.462 9.529 -8.247 281 HD2 PRO 40 1HD PRO 40 6.794 12.015 -9.267 282 HD3 PRO 40 2HD PRO 40 7.650 11.456 -7.816 283 H SER 41 H SER 41 7.218 10.530 -11.554 284 HA SER 41 HA SER 41 7.762 9.037 -13.826 285 HB2 SER 41 1HB SER 41 6.238 10.645 -15.006 286 HB3 SER 41 2HB SER 41 5.578 10.008 -13.500 287 HG SER 41 HG SER 41 6.445 11.997 -12.526 288 H GLY 42 H GLY 42 8.611 9.572 -15.881 289 HA2 GLY 42 1HA GLY 42 9.878 12.040 -16.457 290 HA3 GLY 42 2HA GLY 42 11.066 10.881 -15.879 291 HA PRO 43 HA PRO 43 11.477 9.457 -20.015 292 HB2 PRO 43 1HB PRO 43 12.535 7.004 -19.528 293 HB3 PRO 43 2HB PRO 43 13.453 8.503 -19.333 294 HG2 PRO 43 1HG PRO 43 12.084 6.836 -17.257 295 HG3 PRO 43 2HG PRO 43 13.679 7.608 -17.199 296 HD2 PRO 43 1HD PRO 43 11.501 8.672 -15.992 297 HD3 PRO 43 2HD PRO 43 12.800 9.673 -16.672 298 H SER 44 H SER 44 9.219 9.322 -20.505 299 HA SER 44 HA SER 44 7.366 7.478 -19.793 300 HB2 SER 44 1HB SER 44 7.903 8.859 -22.395 301 HB3 SER 44 2HB SER 44 6.637 7.634 -22.320 302 HG SER 44 HG SER 44 6.758 10.151 -21.140 303 H SER 45 H SER 45 9.683 7.049 -22.467 304 HA SER 45 HA SER 45 9.253 4.142 -22.243 305 HB2 SER 45 1HB SER 45 8.619 5.464 -24.428 306 HB3 SER 45 2HB SER 45 10.354 5.389 -24.735 307 HG SER 45 HG SER 45 9.049 3.038 -23.979 308 H GLY 46 H GLY 46 10.898 3.293 -21.138 309 HA2 GLY 46 1HA GLY 46 13.560 3.450 -22.154 310 HA3 GLY 46 2HA GLY 46 13.388 4.385 -20.676 Start of MODEL 8 1 H1 GLY 1 H GLY 1 9.844 -25.672 13.770 2 HA2 GLY 1 1HA GLY 1 8.872 -23.584 13.267 3 HA3 GLY 1 2HA GLY 1 8.804 -24.419 11.722 4 H SER 2 H SER 2 7.036 -22.577 13.701 5 HA SER 2 HA SER 2 4.515 -23.786 12.783 6 HB2 SER 2 1HB SER 2 4.900 -24.141 15.246 7 HB3 SER 2 2HB SER 2 4.863 -22.389 15.444 8 HG SER 2 HG SER 2 2.756 -22.363 15.026 9 H SER 3 H SER 3 3.156 -22.436 11.772 10 HA SER 3 HA SER 3 3.094 -19.618 12.267 11 HB2 SER 3 1HB SER 3 4.570 -20.691 9.901 12 HB3 SER 3 2HB SER 3 3.613 -19.223 9.697 13 HG SER 3 HG SER 3 5.765 -18.761 10.318 14 H GLY 4 H GLY 4 1.221 -18.693 11.540 15 HA2 GLY 4 1HA GLY 4 -0.370 -19.383 9.418 16 HA3 GLY 4 2HA GLY 4 -0.856 -20.481 10.701 17 H SER 5 H SER 5 -1.517 -17.582 9.277 18 HA SER 5 HA SER 5 -3.299 -16.823 11.418 19 HB2 SER 5 1HB SER 5 -0.949 -15.107 10.631 20 HB3 SER 5 2HB SER 5 -2.404 -14.415 11.349 21 HG SER 5 HG SER 5 -2.063 -15.945 13.101 22 H SER 6 H SER 6 -4.917 -15.345 10.761 23 HA SER 6 HA SER 6 -4.937 -14.270 8.098 24 HB2 SER 6 1HB SER 6 -6.754 -15.556 7.198 25 HB3 SER 6 2HB SER 6 -5.533 -16.697 7.761 26 HG SER 6 HG SER 6 -6.840 -17.362 9.301 27 H GLY 7 H GLY 7 -5.742 -12.317 8.480 28 HA2 GLY 7 1HA GLY 7 -7.670 -11.916 10.625 29 HA3 GLY 7 2HA GLY 7 -6.864 -10.659 9.697 30 H THR 8 H THR 8 -9.365 -13.161 9.478 31 HA THR 8 HA THR 8 -10.534 -12.692 7.092 32 HB THR 8 HB THR 8 -12.152 -12.919 9.634 33 HG1 THR 8 HG1 THR 8 -11.962 -15.251 9.042 34 HG21 THR 8 3HG2 THR 8 -13.929 -13.254 8.322 35 HG22 THR 8 1HG2 THR 8 -13.053 -14.407 7.316 36 HG23 THR 8 2HG2 THR 8 -12.943 -12.680 6.977 37 H GLY 9 H GLY 9 -11.484 -11.055 6.051 38 HA2 GLY 9 1HA GLY 9 -13.187 -9.238 6.281 39 HA3 GLY 9 2HA GLY 9 -12.225 -8.674 7.640 40 H GLU 10 H GLU 10 -11.542 -9.655 4.276 41 HA GLU 10 HA GLU 10 -9.456 -7.742 3.988 42 HB2 GLU 10 1HB GLU 10 -9.527 -9.839 2.698 43 HB3 GLU 10 2HB GLU 10 -10.969 -9.275 1.866 44 HG2 GLU 10 1HG GLU 10 -9.768 -7.554 0.765 45 HG3 GLU 10 2HG GLU 10 -8.345 -7.816 1.772 46 H LYS 11 H LYS 11 -9.436 -6.031 2.331 47 HA LYS 11 HA LYS 11 -12.058 -4.701 2.120 48 HB2 LYS 11 1HB LYS 11 -9.332 -3.450 2.503 49 HB3 LYS 11 2HB LYS 11 -10.811 -2.548 2.198 50 HG2 LYS 11 1HG LYS 11 -10.539 -4.404 4.538 51 HG3 LYS 11 2HG LYS 11 -10.018 -2.718 4.606 52 HD2 LYS 11 1HD LYS 11 -12.369 -2.145 3.781 53 HD3 LYS 11 2HD LYS 11 -12.788 -3.810 4.191 54 HE2 LYS 11 1HE LYS 11 -11.701 -3.222 6.486 55 HE3 LYS 11 2HE LYS 11 -11.984 -1.556 5.983 56 HZ1 LYS 11 3HZ LYS 11 -13.791 -2.658 7.335 57 HZ2 LYS 11 1HZ LYS 11 -14.134 -3.590 5.965 58 HZ3 LYS 11 2HZ LYS 11 -14.285 -1.906 5.902 59 HA PRO 12 HA PRO 12 -11.538 -4.522 -2.236 60 HB2 PRO 12 1HB PRO 12 -12.799 -2.189 -2.816 61 HB3 PRO 12 2HB PRO 12 -13.663 -3.653 -2.332 62 HG2 PRO 12 1HG PRO 12 -12.904 -1.269 -0.687 63 HG3 PRO 12 2HG PRO 12 -14.429 -2.174 -0.709 64 HD2 PRO 12 1HD PRO 12 -12.547 -2.536 1.205 65 HD3 PRO 12 2HD PRO 12 -13.600 -3.849 0.640 66 H TYR 13 H TYR 13 -10.012 -2.353 -0.169 67 HA TYR 13 HA TYR 13 -8.338 -1.366 -2.373 68 HB2 TYR 13 1HB TYR 13 -9.111 0.320 0.011 69 HB3 TYR 13 2HB TYR 13 -8.218 0.832 -1.417 70 HD1 TYR 13 HD2 TYR 13 -9.401 1.030 -3.601 71 HD2 TYR 13 HD1 TYR 13 -11.489 0.270 0.028 72 HE1 TYR 13 HE2 TYR 13 -11.505 1.716 -4.674 73 HE2 TYR 13 HE1 TYR 13 -13.599 0.953 -1.036 74 HH TYR 13 HH TYR 13 -13.887 1.415 -4.415 75 H GLU 14 H GLU 14 -6.179 -1.407 -2.011 76 HA GLU 14 HA GLU 14 -5.080 -1.600 0.642 77 HB2 GLU 14 1HB GLU 14 -5.868 -3.952 -0.007 78 HB3 GLU 14 2HB GLU 14 -4.567 -3.934 -1.189 79 HG2 GLU 14 1HG GLU 14 -2.913 -3.895 0.448 80 HG3 GLU 14 2HG GLU 14 -4.036 -3.367 1.700 81 H CYS 15 H CYS 15 -3.495 -0.163 0.452 82 HA CYS 15 HA CYS 15 -2.240 0.608 -1.919 83 HB2 CYS 15 1HB CYS 15 -2.289 1.669 0.511 84 HB3 CYS 15 2HB CYS 15 -0.752 0.823 0.660 85 H SER 16 H SER 16 -0.364 0.033 -2.932 86 HA SER 16 HA SER 16 0.820 -2.513 -2.069 87 HB2 SER 16 1HB SER 16 1.531 -2.815 -4.368 88 HB3 SER 16 2HB SER 16 -0.185 -2.409 -4.352 89 HG SER 16 HG SER 16 1.730 -1.179 -5.658 90 H VAL 17 H VAL 17 1.716 0.676 -3.356 91 HA VAL 17 HA VAL 17 4.414 0.591 -3.424 92 HB VAL 17 HB VAL 17 4.379 2.980 -2.494 93 HG11 VAL 17 1HG1 VAL 17 3.944 3.739 -4.583 94 HG12 VAL 17 2HG1 VAL 17 3.965 2.015 -4.956 95 HG13 VAL 17 3HG1 VAL 17 2.429 2.847 -4.711 96 HG21 VAL 17 3HG2 VAL 17 1.803 2.140 -1.687 97 HG22 VAL 17 1HG2 VAL 17 2.549 3.725 -1.483 98 HG23 VAL 17 2HG2 VAL 17 1.588 3.381 -2.921 99 H CYS 18 H CYS 18 2.438 0.811 -0.508 100 HA CYS 18 HA CYS 18 4.873 0.358 1.091 101 HB2 CYS 18 1HB CYS 18 3.703 1.478 2.963 102 HB3 CYS 18 2HB CYS 18 3.933 2.546 1.582 103 H GLY 19 H GLY 19 1.450 -0.404 0.688 104 HA2 GLY 19 1HA GLY 19 0.793 -2.741 0.910 105 HA3 GLY 19 2HA GLY 19 1.917 -2.862 2.256 106 H LYS 20 H LYS 20 0.126 0.037 2.146 107 HA LYS 20 HA LYS 20 -1.194 -0.577 4.606 108 HB2 LYS 20 1HB LYS 20 -0.353 1.723 3.580 109 HB3 LYS 20 2HB LYS 20 -1.998 1.778 2.961 110 HG2 LYS 20 1HG LYS 20 -2.313 2.856 4.930 111 HG3 LYS 20 2HG LYS 20 -2.574 1.198 5.478 112 HD2 LYS 20 1HD LYS 20 0.189 2.319 5.528 113 HD3 LYS 20 2HD LYS 20 -0.956 2.812 6.778 114 HE2 LYS 20 1HE LYS 20 -1.389 0.255 7.004 115 HE3 LYS 20 2HE LYS 20 0.171 0.103 6.196 116 HZ1 LYS 20 3HZ LYS 20 -0.115 1.843 8.557 117 HZ2 LYS 20 1HZ LYS 20 1.272 1.087 7.951 118 HZ3 LYS 20 2HZ LYS 20 0.093 0.176 8.751 119 H ALA 21 H ALA 21 -3.534 -0.340 4.938 120 HA ALA 21 HA ALA 21 -5.117 -1.158 2.596 121 HB1 ALA 21 3HB ALA 21 -6.189 -2.338 4.970 122 HB2 ALA 21 1HB ALA 21 -5.621 -3.121 3.495 123 HB3 ALA 21 2HB ALA 21 -4.490 -2.782 4.806 124 H PHE 22 H PHE 22 -7.197 -0.375 2.485 125 HA PHE 22 HA PHE 22 -8.199 1.244 4.703 126 HB2 PHE 22 1HB PHE 22 -8.041 2.298 1.873 127 HB3 PHE 22 2HB PHE 22 -8.670 3.150 3.279 128 HD1 PHE 22 HD1 PHE 22 -5.654 1.977 1.573 129 HD2 PHE 22 HD2 PHE 22 -7.194 4.127 4.908 130 HE1 PHE 22 HE1 PHE 22 -3.413 2.893 2.013 131 HE2 PHE 22 HE2 PHE 22 -4.955 5.046 5.353 132 HZ PHE 22 HZ PHE 22 -3.062 4.431 3.904 133 H SER 23 H SER 23 -10.485 2.048 4.163 134 HA SER 23 HA SER 23 -11.948 -0.216 3.008 135 HB2 SER 23 1HB SER 23 -12.457 0.423 5.355 136 HB3 SER 23 2HB SER 23 -12.977 2.009 4.786 137 HG SER 23 HG SER 23 -14.419 -0.182 4.952 138 H HIS 24 H HIS 24 -11.658 3.293 2.854 139 HA HIS 24 HA HIS 24 -13.321 3.262 0.421 140 HB2 HIS 24 1HB HIS 24 -13.299 5.883 1.138 141 HB3 HIS 24 2HB HIS 24 -14.556 4.742 1.606 142 HD1 HIS 24 HD1 HIS 24 -12.093 7.021 2.992 143 HD2 HIS 24 HD2 HIS 24 -14.099 3.619 4.280 144 HE1 HIS 24 HE1 HIS 24 -11.854 7.007 5.495 145 H ARG 25 H ARG 25 -12.479 4.043 -1.431 146 HA ARG 25 HA ARG 25 -9.739 4.262 -1.798 147 HB2 ARG 25 1HB ARG 25 -11.614 3.943 -3.536 148 HB3 ARG 25 2HB ARG 25 -11.714 5.698 -3.554 149 HG2 ARG 25 1HG ARG 25 -9.664 5.944 -4.555 150 HG3 ARG 25 2HG ARG 25 -9.068 4.395 -3.957 151 HD2 ARG 25 1HD ARG 25 -10.171 3.190 -5.599 152 HD3 ARG 25 2HD ARG 25 -11.341 4.475 -5.896 153 HE ARG 25 HE ARG 25 -8.853 4.117 -7.205 154 HH11 ARG 25 1HH1 ARG 25 -10.996 6.577 -5.987 155 HH12 ARG 25 2HH1 ARG 25 -10.464 7.781 -7.113 156 HH21 ARG 25 1HH2 ARG 25 -8.144 5.695 -8.692 157 HH22 ARG 25 2HH2 ARG 25 -8.843 7.278 -8.652 158 H GLN 26 H GLN 26 -12.080 6.694 -0.904 159 HA GLN 26 HA GLN 26 -10.680 9.019 -1.492 160 HB2 GLN 26 1HB GLN 26 -13.073 8.615 -0.476 161 HB3 GLN 26 2HB GLN 26 -12.235 8.825 1.055 162 HG2 GLN 26 1HG GLN 26 -13.327 10.872 0.017 163 HG3 GLN 26 2HG GLN 26 -11.664 11.032 0.581 164 HE21 GLN 26 1HE2 GLN 26 -13.758 10.892 -2.181 165 HE22 GLN 26 2HE2 GLN 26 -12.601 11.433 -3.344 166 H SER 27 H SER 27 -10.573 7.037 1.454 167 HA SER 27 HA SER 27 -8.651 8.665 2.770 168 HB2 SER 27 1HB SER 27 -9.906 6.015 3.246 169 HB3 SER 27 2HB SER 27 -8.359 6.312 4.039 170 HG SER 27 HG SER 27 -10.385 8.252 4.172 171 H LEU 28 H LEU 28 -8.455 5.845 0.682 172 HA LEU 28 HA LEU 28 -5.727 5.259 1.104 173 HB2 LEU 28 1HB LEU 28 -6.960 3.560 0.103 174 HB3 LEU 28 2HB LEU 28 -7.689 4.652 -1.072 175 HG LEU 28 HG LEU 28 -5.516 4.798 -2.237 176 HD11 LEU 28 1HD1 LEU 28 -3.903 4.387 -0.601 177 HD12 LEU 28 2HD1 LEU 28 -3.864 2.947 -1.617 178 HD13 LEU 28 3HD1 LEU 28 -4.693 2.906 -0.061 179 HD21 LEU 28 3HD2 LEU 28 -5.577 2.051 -2.546 180 HD22 LEU 28 1HD2 LEU 28 -6.538 3.228 -3.442 181 HD23 LEU 28 2HD2 LEU 28 -7.208 2.452 -2.007 182 H SER 29 H SER 29 -7.386 7.306 -1.260 183 HA SER 29 HA SER 29 -5.200 7.966 -2.858 184 HB2 SER 29 1HB SER 29 -7.623 8.505 -3.318 185 HB3 SER 29 2HB SER 29 -7.477 9.834 -2.168 186 HG SER 29 HG SER 29 -5.947 9.488 -4.536 187 H VAL 30 H VAL 30 -6.614 10.032 -0.314 188 HA VAL 30 HA VAL 30 -4.644 11.943 -0.187 189 HB VAL 30 HB VAL 30 -6.253 10.837 2.118 190 HG11 VAL 30 1HG1 VAL 30 -5.839 13.214 3.007 191 HG12 VAL 30 2HG1 VAL 30 -4.533 12.034 3.142 192 HG13 VAL 30 3HG1 VAL 30 -4.495 13.252 1.866 193 HG21 VAL 30 3HG2 VAL 30 -6.954 12.433 -0.162 194 HG22 VAL 30 1HG2 VAL 30 -7.987 11.806 1.122 195 HG23 VAL 30 2HG2 VAL 30 -7.181 13.362 1.319 196 H HIS 31 H HIS 31 -4.624 8.708 1.137 197 HA HIS 31 HA HIS 31 -2.378 9.057 2.848 198 HB2 HIS 31 1HB HIS 31 -3.531 7.179 3.473 199 HB3 HIS 31 2HB HIS 31 -3.952 6.755 1.816 200 HD1 HIS 31 HD1 HIS 31 -1.019 6.587 4.203 201 HD2 HIS 31 HD2 HIS 31 -2.365 4.839 0.682 202 HE1 HIS 31 HE1 HIS 31 0.575 4.698 3.738 203 H GLN 32 H GLN 32 -2.698 7.426 -0.311 204 HA GLN 32 HA GLN 32 -0.147 6.707 -0.830 205 HB2 GLN 32 1HB GLN 32 -2.176 7.937 -2.686 206 HB3 GLN 32 2HB GLN 32 -0.633 7.320 -3.262 207 HG2 GLN 32 1HG GLN 32 -1.242 5.118 -2.224 208 HG3 GLN 32 2HG GLN 32 -2.851 5.781 -1.944 209 HE21 GLN 32 1HE2 GLN 32 -4.227 6.098 -3.666 210 HE22 GLN 32 2HE2 GLN 32 -3.923 5.452 -5.239 211 H ARG 33 H ARG 33 -1.336 9.941 -0.564 212 HA ARG 33 HA ARG 33 0.581 11.368 -1.989 213 HB2 ARG 33 1HB ARG 33 -0.694 12.204 0.621 214 HB3 ARG 33 2HB ARG 33 0.004 13.266 -0.594 215 HG2 ARG 33 1HG ARG 33 -1.728 12.575 -2.183 216 HG3 ARG 33 2HG ARG 33 -2.436 11.537 -0.944 217 HD2 ARG 33 1HD ARG 33 -3.619 13.676 -1.126 218 HD3 ARG 33 2HD ARG 33 -2.873 13.471 0.458 219 HE ARG 33 HE ARG 33 -1.012 14.849 -0.960 220 HH11 ARG 33 1HH1 ARG 33 -4.391 15.335 -0.277 221 HH12 ARG 33 2HH1 ARG 33 -4.287 17.064 -0.334 222 HH21 ARG 33 1HH2 ARG 33 -0.863 17.123 -1.037 223 HH22 ARG 33 2HH2 ARG 33 -2.280 18.080 -0.767 224 H ILE 34 H ILE 34 0.649 10.221 1.367 225 HA ILE 34 HA ILE 34 2.917 11.367 2.336 226 HB ILE 34 HB ILE 34 3.181 9.539 3.826 227 HG12 ILE 34 1HG1 ILE 34 1.495 7.867 1.952 228 HG13 ILE 34 2HG1 ILE 34 3.250 7.775 2.063 229 HG21 ILE 34 1HG2 ILE 34 0.425 8.955 3.802 230 HG22 ILE 34 2HG2 ILE 34 1.275 10.145 4.786 231 HG23 ILE 34 3HG2 ILE 34 0.603 10.612 3.224 232 HD11 ILE 34 3HD1 ILE 34 2.747 7.332 4.595 233 HD12 ILE 34 1HD1 ILE 34 1.174 6.838 3.969 234 HD13 ILE 34 2HD1 ILE 34 2.640 6.036 3.404 235 H HIS 35 H HIS 35 2.695 9.082 -0.236 236 HA HIS 35 HA HIS 35 5.504 8.372 -0.147 237 HB2 HIS 35 1HB HIS 35 3.590 7.757 -2.391 238 HB3 HIS 35 2HB HIS 35 5.047 6.883 -1.930 239 HD1 HIS 35 HD1 HIS 35 4.648 6.217 0.930 240 HD2 HIS 35 HD2 HIS 35 1.513 6.147 -1.795 241 HE1 HIS 35 HE1 HIS 35 2.914 4.702 1.940 242 H SER 36 H SER 36 4.629 11.186 -0.554 243 HA SER 36 HA SER 36 5.684 11.681 -3.251 244 HB2 SER 36 1HB SER 36 3.556 12.748 -2.898 245 HB3 SER 36 2HB SER 36 4.099 13.441 -1.370 246 HG SER 36 HG SER 36 4.553 14.282 -3.956 247 H GLY 37 H GLY 37 7.442 13.017 -3.593 248 HA2 GLY 37 1HA GLY 37 8.716 14.473 -1.491 249 HA3 GLY 37 2HA GLY 37 9.546 12.959 -1.816 250 H LYS 38 H LYS 38 10.121 15.945 -2.271 251 HA LYS 38 HA LYS 38 10.240 16.479 -5.009 252 HB2 LYS 38 1HB LYS 38 10.651 18.104 -3.123 253 HB3 LYS 38 2HB LYS 38 12.254 17.398 -2.953 254 HG2 LYS 38 1HG LYS 38 12.607 19.288 -4.256 255 HG3 LYS 38 2HG LYS 38 12.560 17.972 -5.431 256 HD2 LYS 38 1HD LYS 38 10.284 18.506 -6.012 257 HD3 LYS 38 2HD LYS 38 10.203 19.720 -4.733 258 HE2 LYS 38 1HE LYS 38 12.225 19.883 -6.946 259 HE3 LYS 38 2HE LYS 38 10.596 20.531 -7.131 260 HZ1 LYS 38 3HZ LYS 38 12.525 21.318 -5.013 261 HZ2 LYS 38 1HZ LYS 38 10.974 21.959 -5.231 262 HZ3 LYS 38 2HZ LYS 38 12.169 22.222 -6.399 263 H LYS 39 H LYS 39 12.843 15.256 -2.896 264 HA LYS 39 HA LYS 39 14.773 14.826 -4.822 265 HB2 LYS 39 1HB LYS 39 15.825 13.322 -3.282 266 HB3 LYS 39 2HB LYS 39 15.072 14.608 -2.346 267 HG2 LYS 39 1HG LYS 39 13.283 13.187 -1.683 268 HG3 LYS 39 2HG LYS 39 13.790 11.927 -2.811 269 HD2 LYS 39 1HD LYS 39 15.518 12.905 -0.546 270 HD3 LYS 39 2HD LYS 39 14.401 11.547 -0.391 271 HE2 LYS 39 1HE LYS 39 15.614 10.616 -2.474 272 HE3 LYS 39 2HE LYS 39 16.874 11.781 -2.069 273 HZ1 LYS 39 3HZ LYS 39 17.586 9.970 -0.910 274 HZ2 LYS 39 1HZ LYS 39 16.027 9.379 -0.621 275 HZ3 LYS 39 2HZ LYS 39 16.617 10.685 0.278 276 HA PRO 40 HA PRO 40 13.398 11.502 -7.344 277 HB2 PRO 40 1HB PRO 40 15.772 10.359 -7.998 278 HB3 PRO 40 2HB PRO 40 15.238 11.909 -8.658 279 HG2 PRO 40 1HG PRO 40 17.132 11.362 -6.405 280 HG3 PRO 40 2HG PRO 40 17.267 12.547 -7.717 281 HD2 PRO 40 1HD PRO 40 16.456 13.221 -5.223 282 HD3 PRO 40 2HD PRO 40 15.859 14.046 -6.677 283 H SER 41 H SER 41 12.350 9.810 -6.511 284 HA SER 41 HA SER 41 13.479 8.228 -4.378 285 HB2 SER 41 1HB SER 41 11.100 8.735 -4.324 286 HB3 SER 41 2HB SER 41 10.872 7.968 -5.895 287 HG SER 41 HG SER 41 10.894 6.069 -4.973 288 H GLY 42 H GLY 42 14.502 6.332 -4.551 289 HA2 GLY 42 1HA GLY 42 15.211 4.319 -5.441 290 HA3 GLY 42 2HA GLY 42 14.066 4.542 -6.756 291 HA PRO 43 HA PRO 43 18.301 4.976 -8.539 292 HB2 PRO 43 1HB PRO 43 17.742 3.553 -10.783 293 HB3 PRO 43 2HB PRO 43 18.259 2.798 -9.271 294 HG2 PRO 43 1HG PRO 43 15.500 3.090 -10.395 295 HG3 PRO 43 2HG PRO 43 16.246 1.685 -9.611 296 HD2 PRO 43 1HD PRO 43 14.547 3.346 -8.313 297 HD3 PRO 43 2HD PRO 43 15.886 2.517 -7.492 298 H SER 44 H SER 44 18.911 5.861 -10.696 299 HA SER 44 HA SER 44 16.903 7.822 -11.559 300 HB2 SER 44 1HB SER 44 18.745 9.169 -12.357 301 HB3 SER 44 2HB SER 44 19.103 8.658 -10.707 302 HG SER 44 HG SER 44 20.003 6.923 -12.635 303 H SER 45 H SER 45 16.039 7.739 -13.530 304 HA SER 45 HA SER 45 15.440 6.804 -15.536 305 HB2 SER 45 1HB SER 45 17.253 6.943 -17.245 306 HB3 SER 45 2HB SER 45 17.103 8.408 -16.274 307 HG SER 45 HG SER 45 18.979 6.326 -15.820 308 H GLY 46 H GLY 46 15.779 4.823 -13.622 309 HA2 GLY 46 1HA GLY 46 16.265 2.584 -13.331 310 HA3 GLY 46 2HA GLY 46 15.762 2.489 -15.012 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.612 -4.061 18.541 2 HA2 GLY 1 1HA GLY 1 4.629 -4.821 17.084 3 HA3 GLY 1 2HA GLY 1 5.383 -5.026 18.658 4 H SER 2 H SER 2 3.500 -6.154 20.191 5 HA SER 2 HA SER 2 3.593 -8.830 19.620 6 HB2 SER 2 1HB SER 2 1.784 -7.172 21.328 7 HB3 SER 2 2HB SER 2 1.393 -8.875 21.090 8 HG SER 2 HG SER 2 3.016 -7.973 22.847 9 H SER 3 H SER 3 2.115 -10.362 18.808 10 HA SER 3 HA SER 3 0.756 -9.548 16.454 11 HB2 SER 3 1HB SER 3 1.839 -11.819 16.928 12 HB3 SER 3 2HB SER 3 0.378 -12.202 17.839 13 HG SER 3 HG SER 3 0.367 -12.855 15.582 14 H GLY 4 H GLY 4 -1.570 -10.366 16.055 15 HA2 GLY 4 1HA GLY 4 -3.544 -10.745 17.852 16 HA3 GLY 4 2HA GLY 4 -3.252 -9.017 17.986 17 H SER 5 H SER 5 -3.142 -11.071 15.100 18 HA SER 5 HA SER 5 -5.653 -10.045 14.118 19 HB2 SER 5 1HB SER 5 -3.870 -8.257 13.647 20 HB3 SER 5 2HB SER 5 -3.203 -9.401 12.483 21 HG SER 5 HG SER 5 -5.875 -9.155 12.173 22 H SER 6 H SER 6 -6.573 -11.763 13.238 23 HA SER 6 HA SER 6 -5.372 -13.247 11.139 24 HB2 SER 6 1HB SER 6 -4.375 -14.138 13.432 25 HB3 SER 6 2HB SER 6 -5.901 -15.021 13.483 26 HG SER 6 HG SER 6 -5.060 -15.379 11.074 27 H GLY 7 H GLY 7 -6.835 -14.655 10.109 28 HA2 GLY 7 1HA GLY 7 -9.092 -15.832 10.663 29 HA3 GLY 7 2HA GLY 7 -9.625 -14.172 10.886 30 H THR 8 H THR 8 -10.775 -13.507 9.211 31 HA THR 8 HA THR 8 -9.729 -13.928 6.515 32 HB THR 8 HB THR 8 -11.331 -15.764 6.868 33 HG1 THR 8 HG1 THR 8 -12.091 -15.484 4.889 34 HG21 THR 8 3HG2 THR 8 -13.197 -13.500 7.528 35 HG22 THR 8 1HG2 THR 8 -12.848 -14.946 8.473 36 HG23 THR 8 2HG2 THR 8 -13.788 -15.070 6.986 37 H GLY 9 H GLY 9 -10.394 -12.381 4.997 38 HA2 GLY 9 1HA GLY 9 -12.237 -10.567 4.758 39 HA3 GLY 9 2HA GLY 9 -11.489 -9.945 6.222 40 H GLU 10 H GLU 10 -11.745 -8.807 3.480 41 HA GLU 10 HA GLU 10 -9.081 -7.763 3.302 42 HB2 GLU 10 1HB GLU 10 -9.084 -9.990 2.008 43 HB3 GLU 10 2HB GLU 10 -10.081 -9.151 0.827 44 HG2 GLU 10 1HG GLU 10 -8.305 -7.476 0.546 45 HG3 GLU 10 2HG GLU 10 -7.303 -8.374 1.684 46 H LYS 11 H LYS 11 -9.359 -5.674 2.942 47 HA LYS 11 HA LYS 11 -11.829 -4.589 2.042 48 HB2 LYS 11 1HB LYS 11 -9.129 -3.276 2.401 49 HB3 LYS 11 2HB LYS 11 -10.637 -2.416 2.124 50 HG2 LYS 11 1HG LYS 11 -10.106 -4.208 4.484 51 HG3 LYS 11 2HG LYS 11 -9.932 -2.451 4.493 52 HD2 LYS 11 1HD LYS 11 -12.269 -2.153 4.060 53 HD3 LYS 11 2HD LYS 11 -12.491 -3.884 3.792 54 HE2 LYS 11 1HE LYS 11 -11.591 -2.671 6.401 55 HE3 LYS 11 2HE LYS 11 -13.265 -3.075 6.024 56 HZ1 LYS 11 3HZ LYS 11 -11.703 -5.316 5.461 57 HZ2 LYS 11 1HZ LYS 11 -12.860 -5.133 6.682 58 HZ3 LYS 11 2HZ LYS 11 -11.240 -4.760 6.990 59 HA PRO 12 HA PRO 12 -11.284 -4.499 -2.317 60 HB2 PRO 12 1HB PRO 12 -12.710 -2.276 -2.944 61 HB3 PRO 12 2HB PRO 12 -13.466 -3.792 -2.442 62 HG2 PRO 12 1HG PRO 12 -12.900 -1.334 -0.831 63 HG3 PRO 12 2HG PRO 12 -14.353 -2.350 -0.848 64 HD2 PRO 12 1HD PRO 12 -12.466 -2.541 1.084 65 HD3 PRO 12 2HD PRO 12 -13.413 -3.938 0.533 66 H TYR 13 H TYR 13 -9.895 -2.241 -0.274 67 HA TYR 13 HA TYR 13 -8.296 -1.151 -2.482 68 HB2 TYR 13 1HB TYR 13 -9.229 0.506 -0.134 69 HB3 TYR 13 2HB TYR 13 -8.331 1.064 -1.540 70 HD1 TYR 13 HD2 TYR 13 -9.467 1.083 -3.782 71 HD2 TYR 13 HD1 TYR 13 -11.591 0.376 -0.163 72 HE1 TYR 13 HE2 TYR 13 -11.579 1.616 -4.924 73 HE2 TYR 13 HE1 TYR 13 -13.709 0.906 -1.296 74 HH TYR 13 HH TYR 13 -14.392 0.775 -4.073 75 H GLU 14 H GLU 14 -6.155 -1.177 -2.137 76 HA GLU 14 HA GLU 14 -5.034 -1.148 0.516 77 HB2 GLU 14 1HB GLU 14 -5.766 -3.588 -0.127 78 HB3 GLU 14 2HB GLU 14 -4.304 -3.557 -1.103 79 HG2 GLU 14 1HG GLU 14 -3.033 -2.941 0.951 80 HG3 GLU 14 2HG GLU 14 -4.512 -3.197 1.875 81 H CYS 15 H CYS 15 -3.318 0.119 0.354 82 HA CYS 15 HA CYS 15 -2.206 1.138 -1.924 83 HB2 CYS 15 1HB CYS 15 -1.785 1.625 0.650 84 HB3 CYS 15 2HB CYS 15 -0.367 0.619 0.370 85 H SER 16 H SER 16 -0.175 0.777 -3.005 86 HA SER 16 HA SER 16 0.765 -2.010 -2.883 87 HB2 SER 16 1HB SER 16 0.287 -0.398 -5.402 88 HB3 SER 16 2HB SER 16 0.961 -2.026 -5.335 89 HG SER 16 HG SER 16 -1.312 -1.975 -5.781 90 H VAL 17 H VAL 17 1.746 0.688 -1.895 91 HA VAL 17 HA VAL 17 4.405 0.578 -3.166 92 HB VAL 17 HB VAL 17 4.582 3.012 -2.306 93 HG11 VAL 17 1HG1 VAL 17 2.715 2.505 -4.614 94 HG12 VAL 17 2HG1 VAL 17 3.831 3.855 -4.401 95 HG13 VAL 17 3HG1 VAL 17 4.455 2.230 -4.689 96 HG21 VAL 17 3HG2 VAL 17 1.597 2.947 -2.623 97 HG22 VAL 17 1HG2 VAL 17 2.369 2.747 -1.050 98 HG23 VAL 17 2HG2 VAL 17 2.610 4.233 -1.969 99 H CYS 18 H CYS 18 2.577 1.016 -0.189 100 HA CYS 18 HA CYS 18 5.054 0.526 1.332 101 HB2 CYS 18 1HB CYS 18 4.073 1.770 3.186 102 HB3 CYS 18 2HB CYS 18 4.108 2.769 1.737 103 H GLY 19 H GLY 19 1.668 -0.269 0.912 104 HA2 GLY 19 1HA GLY 19 0.871 -2.490 1.287 105 HA3 GLY 19 2HA GLY 19 2.114 -2.694 2.512 106 H LYS 20 H LYS 20 -0.745 -0.679 1.835 107 HA LYS 20 HA LYS 20 -1.563 -1.070 4.630 108 HB2 LYS 20 1HB LYS 20 -0.490 1.247 4.009 109 HB3 LYS 20 2HB LYS 20 -2.064 1.561 3.291 110 HG2 LYS 20 1HG LYS 20 -3.161 1.421 5.352 111 HG3 LYS 20 2HG LYS 20 -1.788 0.627 6.127 112 HD2 LYS 20 1HD LYS 20 -1.318 3.319 4.981 113 HD3 LYS 20 2HD LYS 20 -2.320 3.229 6.431 114 HE2 LYS 20 1HE LYS 20 -0.299 3.367 7.448 115 HE3 LYS 20 2HE LYS 20 -0.328 1.623 7.196 116 HZ1 LYS 20 3HZ LYS 20 1.731 2.235 6.389 117 HZ2 LYS 20 1HZ LYS 20 1.170 3.680 5.712 118 HZ3 LYS 20 2HZ LYS 20 0.803 2.203 4.976 119 H ALA 21 H ALA 21 -3.888 -0.567 4.977 120 HA ALA 21 HA ALA 21 -5.478 -1.071 2.548 121 HB1 ALA 21 3HB ALA 21 -5.170 -2.774 4.770 122 HB2 ALA 21 1HB ALA 21 -6.802 -2.111 4.857 123 HB3 ALA 21 2HB ALA 21 -6.270 -2.958 3.404 124 H PHE 22 H PHE 22 -7.536 -0.133 2.454 125 HA PHE 22 HA PHE 22 -8.354 1.636 4.619 126 HB2 PHE 22 1HB PHE 22 -8.019 2.684 1.803 127 HB3 PHE 22 2HB PHE 22 -8.516 3.597 3.224 128 HD1 PHE 22 HD2 PHE 22 -6.899 4.243 4.918 129 HD2 PHE 22 HD1 PHE 22 -5.714 2.117 1.426 130 HE1 PHE 22 HE2 PHE 22 -4.551 4.828 5.362 131 HE2 PHE 22 HE1 PHE 22 -3.364 2.698 1.865 132 HZ PHE 22 HZ PHE 22 -2.780 4.056 3.835 133 H SER 23 H SER 23 -10.443 1.320 4.956 134 HA SER 23 HA SER 23 -12.093 -0.265 3.380 135 HB2 SER 23 1HB SER 23 -13.121 1.917 5.196 136 HB3 SER 23 2HB SER 23 -13.881 0.372 4.815 137 HG SER 23 HG SER 23 -11.432 -0.037 5.840 138 H HIS 24 H HIS 24 -11.660 3.234 3.396 139 HA HIS 24 HA HIS 24 -13.561 3.477 1.173 140 HB2 HIS 24 1HB HIS 24 -13.411 4.987 3.397 141 HB3 HIS 24 2HB HIS 24 -12.325 5.902 2.355 142 HD1 HIS 24 HD1 HIS 24 -13.390 7.466 0.732 143 HD2 HIS 24 HD2 HIS 24 -16.089 4.699 2.256 144 HE1 HIS 24 HE1 HIS 24 -15.643 8.178 -0.130 145 H ARG 25 H ARG 25 -12.985 4.519 -0.756 146 HA ARG 25 HA ARG 25 -10.372 3.980 -1.684 147 HB2 ARG 25 1HB ARG 25 -12.628 4.211 -2.982 148 HB3 ARG 25 2HB ARG 25 -12.197 5.913 -3.068 149 HG2 ARG 25 1HG ARG 25 -10.314 5.496 -4.376 150 HG3 ARG 25 2HG ARG 25 -10.283 3.785 -3.946 151 HD2 ARG 25 1HD ARG 25 -11.078 4.029 -6.210 152 HD3 ARG 25 2HD ARG 25 -12.397 3.471 -5.182 153 HE ARG 25 HE ARG 25 -12.794 6.109 -5.160 154 HH11 ARG 25 1HH1 ARG 25 -12.136 3.916 -7.783 155 HH12 ARG 25 2HH1 ARG 25 -13.016 4.845 -8.952 156 HH21 ARG 25 1HH2 ARG 25 -13.955 7.340 -6.690 157 HH22 ARG 25 2HH2 ARG 25 -14.049 6.792 -8.329 158 H GLN 26 H GLN 26 -12.031 7.111 -1.251 159 HA GLN 26 HA GLN 26 -10.025 8.848 -1.815 160 HB2 GLN 26 1HB GLN 26 -12.260 8.917 0.155 161 HB3 GLN 26 2HB GLN 26 -11.042 10.182 0.247 162 HG2 GLN 26 1HG GLN 26 -12.650 11.112 -1.119 163 HG3 GLN 26 2HG GLN 26 -11.478 10.478 -2.273 164 HE21 GLN 26 1HE2 GLN 26 -12.032 8.776 -3.582 165 HE22 GLN 26 2HE2 GLN 26 -13.647 8.177 -3.718 166 H SER 27 H SER 27 -10.468 7.100 1.231 167 HA SER 27 HA SER 27 -8.480 8.289 2.749 168 HB2 SER 27 1HB SER 27 -9.614 5.503 2.717 169 HB3 SER 27 2HB SER 27 -8.318 5.937 3.832 170 HG SER 27 HG SER 27 -10.398 6.235 4.752 171 H LEU 28 H LEU 28 -8.205 5.493 0.569 172 HA LEU 28 HA LEU 28 -5.457 5.049 0.971 173 HB2 LEU 28 1HB LEU 28 -6.671 3.300 -0.003 174 HB3 LEU 28 2HB LEU 28 -7.365 4.353 -1.234 175 HG LEU 28 HG LEU 28 -5.150 4.498 -2.315 176 HD11 LEU 28 1HD1 LEU 28 -4.385 2.622 -0.096 177 HD12 LEU 28 2HD1 LEU 28 -3.631 4.150 -0.549 178 HD13 LEU 28 3HD1 LEU 28 -3.471 2.743 -1.599 179 HD21 LEU 28 3HD2 LEU 28 -5.068 1.990 -2.939 180 HD22 LEU 28 1HD2 LEU 28 -6.520 2.918 -3.315 181 HD23 LEU 28 2HD2 LEU 28 -6.494 1.854 -1.908 182 H SER 29 H SER 29 -7.151 6.761 -1.654 183 HA SER 29 HA SER 29 -4.960 7.571 -3.127 184 HB2 SER 29 1HB SER 29 -7.527 9.102 -2.640 185 HB3 SER 29 2HB SER 29 -6.382 9.424 -3.942 186 HG SER 29 HG SER 29 -7.700 8.077 -4.935 187 H VAL 30 H VAL 30 -6.588 9.412 -0.543 188 HA VAL 30 HA VAL 30 -4.790 11.563 -0.504 189 HB VAL 30 HB VAL 30 -6.486 10.478 1.749 190 HG11 VAL 30 1HG1 VAL 30 -4.611 12.721 1.591 191 HG12 VAL 30 2HG1 VAL 30 -6.210 13.153 2.198 192 HG13 VAL 30 3HG1 VAL 30 -5.273 11.891 2.999 193 HG21 VAL 30 3HG2 VAL 30 -7.058 12.086 -0.628 194 HG22 VAL 30 1HG2 VAL 30 -8.146 11.161 0.406 195 HG23 VAL 30 2HG2 VAL 30 -7.654 12.788 0.876 196 H HIS 31 H HIS 31 -4.733 8.446 1.117 197 HA HIS 31 HA HIS 31 -2.646 9.000 2.932 198 HB2 HIS 31 1HB HIS 31 -3.710 7.061 3.525 199 HB3 HIS 31 2HB HIS 31 -3.944 6.551 1.856 200 HD1 HIS 31 HD1 HIS 31 -1.110 6.831 4.374 201 HD2 HIS 31 HD2 HIS 31 -2.252 4.585 1.071 202 HE1 HIS 31 HE1 HIS 31 0.623 5.021 4.160 203 H GLN 32 H GLN 32 -2.556 7.243 -0.174 204 HA GLN 32 HA GLN 32 0.068 6.695 -0.449 205 HB2 GLN 32 1HB GLN 32 -1.880 7.729 -2.496 206 HB3 GLN 32 2HB GLN 32 -0.242 7.265 -2.936 207 HG2 GLN 32 1HG GLN 32 -0.885 5.051 -1.673 208 HG3 GLN 32 2HG GLN 32 -2.522 5.578 -2.059 209 HE21 GLN 32 1HE2 GLN 32 -3.172 5.684 -4.208 210 HE22 GLN 32 2HE2 GLN 32 -2.298 4.894 -5.472 211 H ARG 33 H ARG 33 -1.398 9.871 -0.680 212 HA ARG 33 HA ARG 33 0.494 11.405 -1.876 213 HB2 ARG 33 1HB ARG 33 -1.056 12.035 0.640 214 HB3 ARG 33 2HB ARG 33 -0.155 13.229 -0.284 215 HG2 ARG 33 1HG ARG 33 -1.621 12.371 -2.268 216 HG3 ARG 33 2HG ARG 33 -2.680 11.809 -0.973 217 HD2 ARG 33 1HD ARG 33 -3.519 13.916 -1.342 218 HD3 ARG 33 2HD ARG 33 -2.352 14.239 -0.060 219 HE ARG 33 HE ARG 33 -1.380 14.542 -2.777 220 HH11 ARG 33 1HH1 ARG 33 -2.700 16.067 0.059 221 HH12 ARG 33 2HH1 ARG 33 -2.140 17.649 -0.371 222 HH21 ARG 33 1HH2 ARG 33 -0.636 16.619 -3.355 223 HH22 ARG 33 2HH2 ARG 33 -0.967 17.962 -2.314 224 H ILE 34 H ILE 34 0.579 10.232 1.468 225 HA ILE 34 HA ILE 34 2.723 11.518 2.518 226 HB ILE 34 HB ILE 34 3.167 9.608 3.907 227 HG12 ILE 34 1HG1 ILE 34 1.469 7.998 1.989 228 HG13 ILE 34 2HG1 ILE 34 3.226 7.928 2.075 229 HG21 ILE 34 1HG2 ILE 34 1.284 10.142 4.953 230 HG22 ILE 34 2HG2 ILE 34 0.537 10.631 3.433 231 HG23 ILE 34 3HG2 ILE 34 0.435 8.953 3.965 232 HD11 ILE 34 3HD1 ILE 34 2.084 6.069 3.236 233 HD12 ILE 34 1HD1 ILE 34 3.136 7.017 4.286 234 HD13 ILE 34 2HD1 ILE 34 1.388 7.242 4.354 235 H HIS 35 H HIS 35 2.806 8.907 0.155 236 HA HIS 35 HA HIS 35 5.663 8.658 0.192 237 HB2 HIS 35 1HB HIS 35 3.917 7.731 -2.071 238 HB3 HIS 35 2HB HIS 35 5.404 7.014 -1.459 239 HD1 HIS 35 HD1 HIS 35 5.017 6.219 1.253 240 HD2 HIS 35 HD2 HIS 35 1.782 6.259 -1.354 241 HE1 HIS 35 HE1 HIS 35 3.305 4.693 2.283 242 H SER 36 H SER 36 3.327 10.529 -1.592 243 HA SER 36 HA SER 36 5.445 11.540 -3.360 244 HB2 SER 36 1HB SER 36 3.627 12.419 -4.759 245 HB3 SER 36 2HB SER 36 3.429 10.688 -4.487 246 HG SER 36 HG SER 36 2.194 12.311 -2.630 247 H GLY 37 H GLY 37 5.443 12.360 -0.667 248 HA2 GLY 37 1HA GLY 37 6.009 14.946 -0.621 249 HA3 GLY 37 2HA GLY 37 4.254 15.026 -0.631 250 H LYS 38 H LYS 38 5.165 16.213 1.443 251 HA LYS 38 HA LYS 38 4.925 16.294 3.713 252 HB2 LYS 38 1HB LYS 38 3.193 14.384 3.128 253 HB3 LYS 38 2HB LYS 38 4.393 13.360 3.905 254 HG2 LYS 38 1HG LYS 38 2.889 13.915 5.601 255 HG3 LYS 38 2HG LYS 38 4.270 14.982 5.864 256 HD2 LYS 38 1HD LYS 38 3.122 16.831 4.888 257 HD3 LYS 38 2HD LYS 38 1.813 15.793 4.320 258 HE2 LYS 38 1HE LYS 38 1.002 15.450 6.504 259 HE3 LYS 38 2HE LYS 38 2.477 16.079 7.237 260 HZ1 LYS 38 3HZ LYS 38 1.879 18.240 6.796 261 HZ2 LYS 38 1HZ LYS 38 0.372 17.551 7.133 262 HZ3 LYS 38 2HZ LYS 38 0.836 17.826 5.530 263 H LYS 39 H LYS 39 7.427 15.987 2.582 264 HA LYS 39 HA LYS 39 9.587 15.533 3.131 265 HB2 LYS 39 1HB LYS 39 8.218 15.060 5.766 266 HB3 LYS 39 2HB LYS 39 9.947 14.794 5.585 267 HG2 LYS 39 1HG LYS 39 8.689 17.395 4.798 268 HG3 LYS 39 2HG LYS 39 9.147 17.060 6.469 269 HD2 LYS 39 1HD LYS 39 11.109 16.649 4.244 270 HD3 LYS 39 2HD LYS 39 10.835 18.261 4.909 271 HE2 LYS 39 1HE LYS 39 11.445 17.493 7.118 272 HE3 LYS 39 2HE LYS 39 11.601 15.837 6.533 273 HZ1 LYS 39 3HZ LYS 39 13.760 16.836 6.708 274 HZ2 LYS 39 1HZ LYS 39 13.291 18.150 5.751 275 HZ3 LYS 39 2HZ LYS 39 13.404 16.605 5.071 276 HA PRO 40 HA PRO 40 8.570 10.949 2.598 277 HB2 PRO 40 1HB PRO 40 9.132 10.805 -0.054 278 HB3 PRO 40 2HB PRO 40 7.523 11.190 0.568 279 HG2 PRO 40 1HG PRO 40 9.648 13.032 -0.458 280 HG3 PRO 40 2HG PRO 40 7.901 13.059 -0.763 281 HD2 PRO 40 1HD PRO 40 9.093 14.700 1.031 282 HD3 PRO 40 2HD PRO 40 7.440 14.090 1.246 283 H SER 41 H SER 41 10.106 9.278 1.748 284 HA SER 41 HA SER 41 12.728 9.809 2.688 285 HB2 SER 41 1HB SER 41 13.229 7.505 1.898 286 HB3 SER 41 2HB SER 41 11.766 7.581 2.881 287 HG SER 41 HG SER 41 11.383 6.341 1.040 288 H GLY 42 H GLY 42 13.872 11.299 1.561 289 HA2 GLY 42 1HA GLY 42 15.422 10.756 -0.563 290 HA3 GLY 42 2HA GLY 42 13.924 11.248 -1.340 291 HA PRO 43 HA PRO 43 16.656 14.960 -0.373 292 HB2 PRO 43 1HB PRO 43 17.035 15.743 -2.945 293 HB3 PRO 43 2HB PRO 43 18.108 14.607 -2.118 294 HG2 PRO 43 1HG PRO 43 15.876 14.052 -4.035 295 HG3 PRO 43 2HG PRO 43 17.489 13.318 -3.952 296 HD2 PRO 43 1HD PRO 43 15.281 12.099 -2.966 297 HD3 PRO 43 2HD PRO 43 16.889 11.891 -2.244 298 H SER 44 H SER 44 15.164 16.345 0.401 299 HA SER 44 HA SER 44 13.327 17.579 -1.535 300 HB2 SER 44 1HB SER 44 11.497 17.497 -0.040 301 HB3 SER 44 2HB SER 44 12.215 15.889 0.047 302 HG SER 44 HG SER 44 12.231 17.959 1.932 303 H SER 45 H SER 45 12.505 19.708 -0.797 304 HA SER 45 HA SER 45 14.698 21.258 0.282 305 HB2 SER 45 1HB SER 45 13.135 21.867 -1.720 306 HB3 SER 45 2HB SER 45 12.030 22.421 -0.462 307 HG SER 45 HG SER 45 13.684 23.949 -1.410 308 H GLY 46 H GLY 46 14.760 22.306 2.210 309 HA2 GLY 46 1HA GLY 46 13.598 23.332 4.086 310 HA3 GLY 46 2HA GLY 46 12.391 22.061 3.954 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -2.208 -23.744 24.150 2 HA2 GLY 1 1HA GLY 1 -4.820 -23.674 23.858 3 HA3 GLY 1 2HA GLY 1 -4.475 -21.966 23.631 4 H SER 2 H SER 2 -5.205 -24.605 21.968 5 HA SER 2 HA SER 2 -3.552 -23.816 19.659 6 HB2 SER 2 1HB SER 2 -3.068 -26.118 20.681 7 HB3 SER 2 2HB SER 2 -4.647 -26.599 20.059 8 HG SER 2 HG SER 2 -3.921 -26.083 17.975 9 H SER 3 H SER 3 -4.921 -22.564 18.521 10 HA SER 3 HA SER 3 -7.051 -23.752 17.091 11 HB2 SER 3 1HB SER 3 -8.243 -23.522 19.224 12 HB3 SER 3 2HB SER 3 -7.860 -21.801 19.263 13 HG SER 3 HG SER 3 -9.659 -21.592 18.205 14 H GLY 4 H GLY 4 -7.087 -22.740 15.197 15 HA2 GLY 4 1HA GLY 4 -5.651 -20.304 14.795 16 HA3 GLY 4 2HA GLY 4 -6.580 -21.175 13.584 17 H SER 5 H SER 5 -7.253 -19.069 12.832 18 HA SER 5 HA SER 5 -9.418 -17.939 14.483 19 HB2 SER 5 1HB SER 5 -7.293 -16.505 14.061 20 HB3 SER 5 2HB SER 5 -7.932 -16.323 12.428 21 HG SER 5 HG SER 5 -8.821 -15.248 14.811 22 H SER 6 H SER 6 -11.308 -17.288 13.429 23 HA SER 6 HA SER 6 -11.559 -18.074 10.607 24 HB2 SER 6 1HB SER 6 -12.459 -19.831 12.222 25 HB3 SER 6 2HB SER 6 -13.700 -18.655 12.655 26 HG SER 6 HG SER 6 -13.422 -20.175 10.375 27 H GLY 7 H GLY 7 -11.853 -16.147 9.654 28 HA2 GLY 7 1HA GLY 7 -13.940 -14.730 9.200 29 HA3 GLY 7 2HA GLY 7 -13.754 -14.261 10.884 30 H THR 8 H THR 8 -12.643 -13.818 7.651 31 HA THR 8 HA THR 8 -10.965 -11.587 8.574 32 HB THR 8 HB THR 8 -10.224 -13.463 6.321 33 HG1 THR 8 HG1 THR 8 -9.917 -14.356 8.442 34 HG21 THR 8 3HG2 THR 8 -8.135 -11.744 7.346 35 HG22 THR 8 1HG2 THR 8 -9.499 -10.804 6.742 36 HG23 THR 8 2HG2 THR 8 -8.692 -11.966 5.688 37 H GLY 9 H GLY 9 -11.784 -9.758 7.805 38 HA2 GLY 9 1HA GLY 9 -13.248 -9.834 5.249 39 HA3 GLY 9 2HA GLY 9 -13.477 -8.633 6.511 40 H GLU 10 H GLU 10 -11.490 -9.651 3.834 41 HA GLU 10 HA GLU 10 -9.483 -7.671 4.077 42 HB2 GLU 10 1HB GLU 10 -8.828 -8.276 1.852 43 HB3 GLU 10 2HB GLU 10 -9.302 -9.745 2.694 44 HG2 GLU 10 1HG GLU 10 -11.256 -8.271 0.978 45 HG3 GLU 10 2HG GLU 10 -10.085 -9.382 0.270 46 H LYS 11 H LYS 11 -9.141 -5.877 2.548 47 HA LYS 11 HA LYS 11 -11.682 -4.496 1.996 48 HB2 LYS 11 1HB LYS 11 -8.950 -3.481 2.741 49 HB3 LYS 11 2HB LYS 11 -10.143 -2.427 1.994 50 HG2 LYS 11 1HG LYS 11 -11.469 -2.381 3.844 51 HG3 LYS 11 2HG LYS 11 -10.972 -3.989 4.377 52 HD2 LYS 11 1HD LYS 11 -8.679 -2.916 4.812 53 HD3 LYS 11 2HD LYS 11 -9.528 -1.374 4.683 54 HE2 LYS 11 1HE LYS 11 -10.867 -1.831 6.555 55 HE3 LYS 11 2HE LYS 11 -10.483 -3.551 6.516 56 HZ1 LYS 11 3HZ LYS 11 -9.135 -2.869 8.199 57 HZ2 LYS 11 1HZ LYS 11 -8.907 -1.318 7.563 58 HZ3 LYS 11 2HZ LYS 11 -8.073 -2.633 6.904 59 HA PRO 12 HA PRO 12 -10.799 -4.701 -2.318 60 HB2 PRO 12 1HB PRO 12 -12.409 -2.681 -3.154 61 HB3 PRO 12 2HB PRO 12 -13.029 -4.253 -2.637 62 HG2 PRO 12 1HG PRO 12 -12.867 -1.684 -1.108 63 HG3 PRO 12 2HG PRO 12 -14.193 -2.860 -1.183 64 HD2 PRO 12 1HD PRO 12 -12.453 -2.757 0.889 65 HD3 PRO 12 2HD PRO 12 -13.194 -4.274 0.338 66 H TYR 13 H TYR 13 -9.674 -2.368 -0.286 67 HA TYR 13 HA TYR 13 -8.242 -1.013 -2.471 68 HB2 TYR 13 1HB TYR 13 -9.137 0.337 0.080 69 HB3 TYR 13 2HB TYR 13 -8.361 1.093 -1.306 70 HD1 TYR 13 HD2 TYR 13 -9.638 1.067 -3.532 71 HD2 TYR 13 HD1 TYR 13 -11.468 0.226 0.216 72 HE1 TYR 13 HE2 TYR 13 -11.844 1.556 -4.505 73 HE2 TYR 13 HE1 TYR 13 -13.679 0.711 -0.747 74 HH TYR 13 HH TYR 13 -14.198 1.021 -4.090 75 H GLU 14 H GLU 14 -6.124 -1.290 -2.332 76 HA GLU 14 HA GLU 14 -4.855 -1.424 0.302 77 HB2 GLU 14 1HB GLU 14 -5.269 -3.753 -0.467 78 HB3 GLU 14 2HB GLU 14 -4.303 -3.421 -1.898 79 HG2 GLU 14 1HG GLU 14 -2.383 -2.911 -0.391 80 HG3 GLU 14 2HG GLU 14 -3.370 -3.466 0.959 81 H CYS 15 H CYS 15 -3.202 -0.065 0.387 82 HA CYS 15 HA CYS 15 -2.335 1.499 -1.741 83 HB2 CYS 15 1HB CYS 15 -1.985 1.685 0.880 84 HB3 CYS 15 2HB CYS 15 -0.443 0.927 0.497 85 H SER 16 H SER 16 -1.091 1.089 -3.436 86 HA SER 16 HA SER 16 0.322 -1.429 -3.621 87 HB2 SER 16 1HB SER 16 0.613 -0.917 -5.940 88 HB3 SER 16 2HB SER 16 -1.022 -0.413 -5.512 89 HG SER 16 HG SER 16 -0.497 1.600 -5.869 90 H VAL 17 H VAL 17 1.232 0.757 -1.789 91 HA VAL 17 HA VAL 17 3.979 1.008 -2.832 92 HB VAL 17 HB VAL 17 2.513 2.971 -1.064 93 HG11 VAL 17 1HG1 VAL 17 4.580 4.358 -1.416 94 HG12 VAL 17 2HG1 VAL 17 4.793 2.939 -0.389 95 HG13 VAL 17 3HG1 VAL 17 5.353 2.911 -2.062 96 HG21 VAL 17 3HG2 VAL 17 2.987 4.496 -3.054 97 HG22 VAL 17 1HG2 VAL 17 3.309 3.017 -3.960 98 HG23 VAL 17 2HG2 VAL 17 1.717 3.289 -3.252 99 H CYS 18 H CYS 18 2.456 1.617 0.326 100 HA CYS 18 HA CYS 18 4.622 0.219 1.649 101 HB2 CYS 18 1HB CYS 18 3.464 0.958 3.735 102 HB3 CYS 18 2HB CYS 18 3.881 2.282 2.652 103 H GLY 19 H GLY 19 1.262 -0.300 0.857 104 HA2 GLY 19 1HA GLY 19 0.359 -2.497 0.663 105 HA3 GLY 19 2HA GLY 19 1.514 -3.045 1.870 106 H LYS 20 H LYS 20 -0.600 -0.221 2.066 107 HA LYS 20 HA LYS 20 -1.695 -1.286 4.556 108 HB2 LYS 20 1HB LYS 20 -0.761 1.151 4.088 109 HB3 LYS 20 2HB LYS 20 -2.403 1.423 3.522 110 HG2 LYS 20 1HG LYS 20 -3.321 0.961 5.638 111 HG3 LYS 20 2HG LYS 20 -1.810 0.262 6.226 112 HD2 LYS 20 1HD LYS 20 -0.768 2.532 5.930 113 HD3 LYS 20 2HD LYS 20 -2.389 3.157 5.618 114 HE2 LYS 20 1HE LYS 20 -2.899 1.887 7.891 115 HE3 LYS 20 2HE LYS 20 -1.178 2.169 8.145 116 HZ1 LYS 20 3HZ LYS 20 -1.463 4.448 8.130 117 HZ2 LYS 20 1HZ LYS 20 -2.855 3.926 8.939 118 HZ3 LYS 20 2HZ LYS 20 -2.943 4.378 7.312 119 H ALA 21 H ALA 21 -4.075 -0.677 4.950 120 HA ALA 21 HA ALA 21 -5.670 -1.115 2.518 121 HB1 ALA 21 3HB ALA 21 -6.609 -3.011 3.254 122 HB2 ALA 21 1HB ALA 21 -5.212 -3.104 4.326 123 HB3 ALA 21 2HB ALA 21 -6.730 -2.423 4.912 124 H PHE 22 H PHE 22 -7.425 0.145 2.345 125 HA PHE 22 HA PHE 22 -8.386 1.544 4.746 126 HB2 PHE 22 1HB PHE 22 -8.164 2.856 2.036 127 HB3 PHE 22 2HB PHE 22 -8.548 3.621 3.574 128 HD1 PHE 22 HD1 PHE 22 -5.850 1.916 1.699 129 HD2 PHE 22 HD2 PHE 22 -6.858 4.468 4.953 130 HE1 PHE 22 HE1 PHE 22 -3.466 2.427 2.032 131 HE2 PHE 22 HE2 PHE 22 -4.476 4.984 5.291 132 HZ PHE 22 HZ PHE 22 -2.777 3.964 3.829 133 H SER 23 H SER 23 -10.483 1.247 5.070 134 HA SER 23 HA SER 23 -12.136 -0.268 3.439 135 HB2 SER 23 1HB SER 23 -12.375 0.599 5.944 136 HB3 SER 23 2HB SER 23 -13.395 1.811 5.169 137 HG SER 23 HG SER 23 -14.708 0.111 5.678 138 H HIS 24 H HIS 24 -11.653 3.215 3.540 139 HA HIS 24 HA HIS 24 -13.618 3.576 1.397 140 HB2 HIS 24 1HB HIS 24 -13.242 5.060 3.619 141 HB3 HIS 24 2HB HIS 24 -12.184 5.921 2.505 142 HD1 HIS 24 HD1 HIS 24 -13.274 7.515 0.920 143 HD2 HIS 24 HD2 HIS 24 -16.005 4.942 2.705 144 HE1 HIS 24 HE1 HIS 24 -15.541 8.353 0.224 145 H ARG 25 H ARG 25 -13.089 4.554 -0.568 146 HA ARG 25 HA ARG 25 -10.517 3.918 -1.587 147 HB2 ARG 25 1HB ARG 25 -12.362 3.808 -3.090 148 HB3 ARG 25 2HB ARG 25 -12.846 5.459 -2.724 149 HG2 ARG 25 1HG ARG 25 -11.838 5.472 -4.868 150 HG3 ARG 25 2HG ARG 25 -10.697 6.224 -3.751 151 HD2 ARG 25 1HD ARG 25 -9.640 3.910 -3.547 152 HD3 ARG 25 2HD ARG 25 -10.598 3.476 -4.963 153 HE ARG 25 HE ARG 25 -8.970 5.851 -5.251 154 HH11 ARG 25 1HH1 ARG 25 -9.201 2.404 -5.683 155 HH12 ARG 25 2HH1 ARG 25 -7.962 2.341 -6.892 156 HH21 ARG 25 1HH2 ARG 25 -7.337 5.781 -6.842 157 HH22 ARG 25 2HH2 ARG 25 -6.902 4.262 -7.550 158 H GLN 26 H GLN 26 -12.148 7.080 -1.283 159 HA GLN 26 HA GLN 26 -10.149 8.769 -1.982 160 HB2 GLN 26 1HB GLN 26 -12.288 8.976 0.100 161 HB3 GLN 26 2HB GLN 26 -11.094 10.260 -0.035 162 HG2 GLN 26 1HG GLN 26 -11.722 10.676 -2.317 163 HG3 GLN 26 2HG GLN 26 -12.818 9.295 -2.304 164 HE21 GLN 26 1HE2 GLN 26 -14.133 11.269 -3.082 165 HE22 GLN 26 2HE2 GLN 26 -15.042 12.077 -1.856 166 H SER 27 H SER 27 -10.646 7.555 1.334 167 HA SER 27 HA SER 27 -8.577 8.700 2.656 168 HB2 SER 27 1HB SER 27 -9.872 6.022 2.869 169 HB3 SER 27 2HB SER 27 -8.396 6.297 3.794 170 HG SER 27 HG SER 27 -10.139 8.374 3.998 171 H LEU 28 H LEU 28 -8.348 5.729 0.712 172 HA LEU 28 HA LEU 28 -5.625 5.245 1.094 173 HB2 LEU 28 1HB LEU 28 -6.899 3.522 0.142 174 HB3 LEU 28 2HB LEU 28 -7.529 4.573 -1.124 175 HG LEU 28 HG LEU 28 -5.272 4.616 -2.149 176 HD11 LEU 28 1HD1 LEU 28 -3.543 3.165 -1.414 177 HD12 LEU 28 2HD1 LEU 28 -4.593 2.416 -0.212 178 HD13 LEU 28 3HD1 LEU 28 -4.073 4.089 -0.008 179 HD21 LEU 28 3HD2 LEU 28 -7.177 2.872 -2.573 180 HD22 LEU 28 1HD2 LEU 28 -6.027 1.746 -1.850 181 HD23 LEU 28 2HD2 LEU 28 -5.584 2.650 -3.298 182 H SER 29 H SER 29 -7.170 6.782 -1.734 183 HA SER 29 HA SER 29 -4.964 7.539 -3.144 184 HB2 SER 29 1HB SER 29 -7.196 7.938 -3.997 185 HB3 SER 29 2HB SER 29 -7.513 9.117 -2.725 186 HG SER 29 HG SER 29 -5.353 9.457 -4.503 187 H VAL 30 H VAL 30 -6.529 9.491 -0.605 188 HA VAL 30 HA VAL 30 -4.651 11.580 -0.619 189 HB VAL 30 HB VAL 30 -6.414 10.628 1.643 190 HG11 VAL 30 1HG1 VAL 30 -4.940 11.971 2.769 191 HG12 VAL 30 2HG1 VAL 30 -4.588 12.961 1.351 192 HG13 VAL 30 3HG1 VAL 30 -6.105 13.177 2.225 193 HG21 VAL 30 3HG2 VAL 30 -6.814 12.751 -0.463 194 HG22 VAL 30 1HG2 VAL 30 -7.714 11.244 -0.291 195 HG23 VAL 30 2HG2 VAL 30 -7.867 12.506 0.930 196 H HIS 31 H HIS 31 -4.731 8.506 1.078 197 HA HIS 31 HA HIS 31 -2.632 9.036 2.894 198 HB2 HIS 31 1HB HIS 31 -3.824 7.180 3.542 199 HB3 HIS 31 2HB HIS 31 -4.016 6.595 1.892 200 HD1 HIS 31 HD1 HIS 31 -1.626 6.551 4.777 201 HD2 HIS 31 HD2 HIS 31 -2.009 4.887 0.990 202 HE1 HIS 31 HE1 HIS 31 0.136 4.762 4.648 203 H GLN 32 H GLN 32 -2.620 7.158 -0.141 204 HA GLN 32 HA GLN 32 -0.019 6.480 -0.376 205 HB2 GLN 32 1HB GLN 32 -1.985 7.427 -2.432 206 HB3 GLN 32 2HB GLN 32 -0.337 7.038 -2.906 207 HG2 GLN 32 1HG GLN 32 -0.577 4.792 -2.367 208 HG3 GLN 32 2HG GLN 32 -1.982 5.090 -1.345 209 HE21 GLN 32 1HE2 GLN 32 -1.980 3.124 -3.272 210 HE22 GLN 32 2HE2 GLN 32 -3.079 3.557 -4.533 211 H ARG 33 H ARG 33 -1.336 9.700 -0.653 212 HA ARG 33 HA ARG 33 0.632 11.091 -1.949 213 HB2 ARG 33 1HB ARG 33 -0.926 11.919 0.505 214 HB3 ARG 33 2HB ARG 33 0.027 13.022 -0.479 215 HG2 ARG 33 1HG ARG 33 -1.390 12.549 -2.403 216 HG3 ARG 33 2HG ARG 33 -2.338 11.420 -1.432 217 HD2 ARG 33 1HD ARG 33 -3.254 13.119 -0.130 218 HD3 ARG 33 2HD ARG 33 -1.985 14.264 -0.565 219 HE ARG 33 HE ARG 33 -4.379 13.654 -2.071 220 HH11 ARG 33 1HH1 ARG 33 -1.204 15.082 -2.091 221 HH12 ARG 33 2HH1 ARG 33 -1.526 16.095 -3.460 222 HH21 ARG 33 1HH2 ARG 33 -4.815 14.982 -3.874 223 HH22 ARG 33 2HH2 ARG 33 -3.580 16.037 -4.473 224 H ILE 34 H ILE 34 0.579 10.211 1.494 225 HA ILE 34 HA ILE 34 2.777 11.428 2.482 226 HB ILE 34 HB ILE 34 3.063 9.649 4.045 227 HG12 ILE 34 1HG1 ILE 34 1.416 7.890 2.216 228 HG13 ILE 34 2HG1 ILE 34 3.172 7.830 2.328 229 HG21 ILE 34 1HG2 ILE 34 0.327 9.030 4.020 230 HG22 ILE 34 2HG2 ILE 34 1.138 10.301 4.934 231 HG23 ILE 34 3HG2 ILE 34 0.472 10.650 3.339 232 HD11 ILE 34 3HD1 ILE 34 2.929 6.325 3.927 233 HD12 ILE 34 1HD1 ILE 34 2.272 7.602 4.951 234 HD13 ILE 34 2HD1 ILE 34 1.187 6.593 3.993 235 H HIS 35 H HIS 35 2.739 8.862 0.128 236 HA HIS 35 HA HIS 35 5.590 8.391 0.307 237 HB2 HIS 35 1HB HIS 35 3.787 7.402 -1.891 238 HB3 HIS 35 2HB HIS 35 5.274 6.678 -1.285 239 HD1 HIS 35 HD1 HIS 35 4.866 6.209 1.567 240 HD2 HIS 35 HD2 HIS 35 1.724 5.852 -1.127 241 HE1 HIS 35 HE1 HIS 35 3.170 4.740 2.703 242 H SER 36 H SER 36 4.614 11.081 -0.365 243 HA SER 36 HA SER 36 5.659 11.359 -3.101 244 HB2 SER 36 1HB SER 36 3.327 12.255 -2.452 245 HB3 SER 36 2HB SER 36 4.203 13.520 -1.591 246 HG SER 36 HG SER 36 5.348 13.557 -3.847 247 H GLY 37 H GLY 37 7.769 11.788 -3.107 248 HA2 GLY 37 1HA GLY 37 9.831 12.547 -2.373 249 HA3 GLY 37 2HA GLY 37 8.979 14.084 -2.382 250 H LYS 38 H LYS 38 8.945 11.209 -0.272 251 HA LYS 38 HA LYS 38 8.314 12.384 2.098 252 HB2 LYS 38 1HB LYS 38 10.379 10.207 1.721 253 HB3 LYS 38 2HB LYS 38 9.532 10.569 3.219 254 HG2 LYS 38 1HG LYS 38 7.536 9.699 2.459 255 HG3 LYS 38 2HG LYS 38 7.978 9.894 0.761 256 HD2 LYS 38 1HD LYS 38 9.454 7.998 2.562 257 HD3 LYS 38 2HD LYS 38 7.968 7.520 1.738 258 HE2 LYS 38 1HE LYS 38 8.940 7.851 -0.396 259 HE3 LYS 38 2HE LYS 38 10.330 8.692 0.288 260 HZ1 LYS 38 3HZ LYS 38 10.432 6.301 1.523 261 HZ2 LYS 38 1HZ LYS 38 11.314 6.709 0.138 262 HZ3 LYS 38 2HZ LYS 38 9.855 5.866 -0.006 263 H LYS 39 H LYS 39 9.243 13.703 3.549 264 HA LYS 39 HA LYS 39 11.732 14.980 2.851 265 HB2 LYS 39 1HB LYS 39 9.537 15.965 3.970 266 HB3 LYS 39 2HB LYS 39 10.366 15.501 5.451 267 HG2 LYS 39 1HG LYS 39 11.649 17.215 3.344 268 HG3 LYS 39 2HG LYS 39 10.693 17.879 4.672 269 HD2 LYS 39 1HD LYS 39 12.247 17.294 6.261 270 HD3 LYS 39 2HD LYS 39 12.888 15.960 5.298 271 HE2 LYS 39 1HE LYS 39 14.555 17.644 5.316 272 HE3 LYS 39 2HE LYS 39 13.809 17.693 3.720 273 HZ1 LYS 39 3HZ LYS 39 12.894 19.710 4.108 274 HZ2 LYS 39 1HZ LYS 39 14.205 19.856 5.168 275 HZ3 LYS 39 2HZ LYS 39 12.678 19.439 5.764 276 HA PRO 40 HA PRO 40 14.247 12.256 5.287 277 HB2 PRO 40 1HB PRO 40 16.542 13.694 5.099 278 HB3 PRO 40 2HB PRO 40 15.916 12.707 3.774 279 HG2 PRO 40 1HG PRO 40 15.690 15.660 4.206 280 HG3 PRO 40 2HG PRO 40 16.048 14.772 2.713 281 HD2 PRO 40 1HD PRO 40 13.588 15.761 3.266 282 HD3 PRO 40 2HD PRO 40 13.831 14.271 2.331 283 H SER 41 H SER 41 14.699 15.761 5.809 284 HA SER 41 HA SER 41 14.462 15.288 8.698 285 HB2 SER 41 1HB SER 41 16.882 15.504 7.990 286 HB3 SER 41 2HB SER 41 16.515 17.160 7.506 287 HG SER 41 HG SER 41 16.323 17.739 9.556 288 H GLY 42 H GLY 42 12.420 16.169 8.801 289 HA2 GLY 42 1HA GLY 42 12.056 18.902 7.790 290 HA3 GLY 42 2HA GLY 42 10.770 17.805 8.272 291 HA PRO 43 HA PRO 43 10.526 19.697 12.212 292 HB2 PRO 43 1HB PRO 43 10.017 17.590 13.847 293 HB3 PRO 43 2HB PRO 43 8.827 18.233 12.708 294 HG2 PRO 43 1HG PRO 43 10.621 15.852 12.431 295 HG3 PRO 43 2HG PRO 43 8.908 16.018 12.003 296 HD2 PRO 43 1HD PRO 43 10.890 16.166 10.164 297 HD3 PRO 43 2HD PRO 43 9.378 17.085 10.015 298 H SER 44 H SER 44 12.760 17.027 11.844 299 HA SER 44 HA SER 44 14.744 16.514 12.835 300 HB2 SER 44 1HB SER 44 14.616 19.497 13.056 301 HB3 SER 44 2HB SER 44 15.928 18.634 13.858 302 HG SER 44 HG SER 44 15.272 18.593 11.099 303 H SER 45 H SER 45 12.490 15.994 14.385 304 HA SER 45 HA SER 45 13.099 16.885 17.091 305 HB2 SER 45 1HB SER 45 11.020 15.747 17.719 306 HB3 SER 45 2HB SER 45 10.745 16.828 16.353 307 HG SER 45 HG SER 45 11.185 14.788 15.077 308 H GLY 46 H GLY 46 12.854 13.843 15.266 309 HA2 GLY 46 1HA GLY 46 14.719 12.252 15.667 310 HA3 GLY 46 2HA GLY 46 14.491 12.577 17.378 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -16.247 -17.127 24.503 2 HA2 GLY 1 1HA GLY 1 -16.526 -17.579 22.152 3 HA3 GLY 1 2HA GLY 1 -17.050 -15.922 22.413 4 H SER 2 H SER 2 -16.531 -15.735 20.096 5 HA SER 2 HA SER 2 -13.799 -15.879 19.255 6 HB2 SER 2 1HB SER 2 -16.350 -14.907 18.006 7 HB3 SER 2 2HB SER 2 -14.801 -14.546 17.245 8 HG SER 2 HG SER 2 -14.480 -16.646 16.852 9 H SER 3 H SER 3 -12.654 -14.550 20.685 10 HA SER 3 HA SER 3 -13.308 -11.701 20.711 11 HB2 SER 3 1HB SER 3 -11.166 -13.178 22.258 12 HB3 SER 3 2HB SER 3 -11.695 -11.517 22.521 13 HG SER 3 HG SER 3 -12.613 -13.256 23.913 14 H GLY 4 H GLY 4 -12.446 -12.640 18.243 15 HA2 GLY 4 1HA GLY 4 -9.702 -11.557 18.070 16 HA3 GLY 4 2HA GLY 4 -10.349 -12.767 16.972 17 H SER 5 H SER 5 -10.117 -9.409 17.716 18 HA SER 5 HA SER 5 -11.752 -8.761 15.353 19 HB2 SER 5 1HB SER 5 -11.068 -7.061 17.762 20 HB3 SER 5 2HB SER 5 -11.948 -6.480 16.348 21 HG SER 5 HG SER 5 -12.777 -8.664 17.959 22 H SER 6 H SER 6 -9.160 -9.649 14.958 23 HA SER 6 HA SER 6 -7.374 -7.403 14.705 24 HB2 SER 6 1HB SER 6 -7.219 -10.311 13.944 25 HB3 SER 6 2HB SER 6 -5.996 -9.164 13.399 26 HG SER 6 HG SER 6 -6.217 -10.352 15.776 27 H GLY 7 H GLY 7 -9.157 -9.503 12.453 28 HA2 GLY 7 1HA GLY 7 -9.452 -7.314 10.594 29 HA3 GLY 7 2HA GLY 7 -8.379 -8.584 10.025 30 H THR 8 H THR 8 -11.351 -7.499 9.617 31 HA THR 8 HA THR 8 -12.378 -10.148 8.932 32 HB THR 8 HB THR 8 -14.637 -9.543 9.831 33 HG1 THR 8 HG1 THR 8 -14.372 -7.896 11.639 34 HG21 THR 8 3HG2 THR 8 -14.070 -10.028 12.199 35 HG22 THR 8 1HG2 THR 8 -12.370 -9.765 11.814 36 HG23 THR 8 2HG2 THR 8 -13.249 -11.095 11.060 37 H GLY 9 H GLY 9 -13.272 -10.166 6.965 38 HA2 GLY 9 1HA GLY 9 -14.380 -9.429 5.075 39 HA3 GLY 9 2HA GLY 9 -14.745 -7.933 5.921 40 H GLU 10 H GLU 10 -12.702 -9.496 3.656 41 HA GLU 10 HA GLU 10 -10.477 -7.832 3.603 42 HB2 GLU 10 1HB GLU 10 -11.888 -9.303 1.377 43 HB3 GLU 10 2HB GLU 10 -10.364 -8.456 1.149 44 HG2 GLU 10 1HG GLU 10 -10.781 -10.664 3.148 45 HG3 GLU 10 2HG GLU 10 -10.144 -10.903 1.522 46 H LYS 11 H LYS 11 -9.992 -5.898 2.657 47 HA LYS 11 HA LYS 11 -12.276 -4.241 1.902 48 HB2 LYS 11 1HB LYS 11 -9.419 -3.576 2.613 49 HB3 LYS 11 2HB LYS 11 -10.573 -2.376 2.049 50 HG2 LYS 11 1HG LYS 11 -11.920 -2.620 3.965 51 HG3 LYS 11 2HG LYS 11 -11.091 -4.101 4.451 52 HD2 LYS 11 1HD LYS 11 -9.486 -1.609 4.181 53 HD3 LYS 11 2HD LYS 11 -10.550 -1.769 5.580 54 HE2 LYS 11 1HE LYS 11 -8.673 -3.977 4.824 55 HE3 LYS 11 2HE LYS 11 -8.100 -2.592 5.752 56 HZ1 LYS 11 3HZ LYS 11 -10.462 -3.469 6.936 57 HZ2 LYS 11 1HZ LYS 11 -8.893 -3.556 7.563 58 HZ3 LYS 11 2HZ LYS 11 -9.515 -4.844 6.661 59 HA PRO 12 HA PRO 12 -11.349 -4.411 -2.401 60 HB2 PRO 12 1HB PRO 12 -12.580 -2.121 -3.183 61 HB3 PRO 12 2HB PRO 12 -13.466 -3.583 -2.733 62 HG2 PRO 12 1HG PRO 12 -12.905 -1.133 -1.108 63 HG3 PRO 12 2HG PRO 12 -14.407 -2.064 -1.245 64 HD2 PRO 12 1HD PRO 12 -12.716 -2.328 0.853 65 HD3 PRO 12 2HD PRO 12 -13.690 -3.678 0.236 66 H TYR 13 H TYR 13 -10.075 -2.131 -0.276 67 HA TYR 13 HA TYR 13 -8.300 -1.079 -2.379 68 HB2 TYR 13 1HB TYR 13 -8.947 0.438 0.139 69 HB3 TYR 13 2HB TYR 13 -8.245 1.044 -1.357 70 HD1 TYR 13 HD2 TYR 13 -9.886 0.528 -3.484 71 HD2 TYR 13 HD1 TYR 13 -11.106 1.108 0.551 72 HE1 TYR 13 HE2 TYR 13 -12.119 1.203 -4.262 73 HE2 TYR 13 HE1 TYR 13 -13.343 1.784 -0.217 74 HH TYR 13 HH TYR 13 -14.208 2.864 -2.641 75 H GLU 14 H GLU 14 -6.159 -1.257 -2.045 76 HA GLU 14 HA GLU 14 -5.052 -1.620 0.591 77 HB2 GLU 14 1HB GLU 14 -5.918 -3.913 -0.397 78 HB3 GLU 14 2HB GLU 14 -4.414 -3.838 -1.304 79 HG2 GLU 14 1HG GLU 14 -3.287 -3.455 0.960 80 HG3 GLU 14 2HG GLU 14 -4.807 -4.009 1.659 81 H CYS 15 H CYS 15 -3.529 -0.097 0.406 82 HA CYS 15 HA CYS 15 -2.233 0.717 -1.913 83 HB2 CYS 15 1HB CYS 15 -2.298 1.704 0.548 84 HB3 CYS 15 2HB CYS 15 -0.763 0.850 0.682 85 H SER 16 H SER 16 -0.612 -0.068 -3.098 86 HA SER 16 HA SER 16 0.676 -2.537 -2.203 87 HB2 SER 16 1HB SER 16 -0.379 -2.564 -4.420 88 HB3 SER 16 2HB SER 16 0.642 -1.220 -4.931 89 HG SER 16 HG SER 16 1.338 -3.895 -4.420 90 H VAL 17 H VAL 17 1.431 0.740 -3.246 91 HA VAL 17 HA VAL 17 4.164 0.627 -3.532 92 HB VAL 17 HB VAL 17 4.149 3.012 -2.591 93 HG11 VAL 17 1HG1 VAL 17 3.909 2.267 -5.015 94 HG12 VAL 17 2HG1 VAL 17 2.180 2.560 -4.816 95 HG13 VAL 17 3HG1 VAL 17 3.330 3.883 -4.613 96 HG21 VAL 17 3HG2 VAL 17 2.023 4.064 -2.247 97 HG22 VAL 17 1HG2 VAL 17 1.167 2.586 -2.687 98 HG23 VAL 17 2HG2 VAL 17 2.111 2.648 -1.199 99 H CYS 18 H CYS 18 2.291 0.878 -0.544 100 HA CYS 18 HA CYS 18 4.781 0.442 0.972 101 HB2 CYS 18 1HB CYS 18 3.653 1.516 2.884 102 HB3 CYS 18 2HB CYS 18 3.767 2.597 1.500 103 H GLY 19 H GLY 19 1.388 -0.449 0.624 104 HA2 GLY 19 1HA GLY 19 0.810 -2.799 0.852 105 HA3 GLY 19 2HA GLY 19 1.974 -2.897 2.165 106 H LYS 20 H LYS 20 0.068 -0.065 2.120 107 HA LYS 20 HA LYS 20 -1.209 -0.822 4.588 108 HB2 LYS 20 1HB LYS 20 -0.312 1.530 3.753 109 HB3 LYS 20 2HB LYS 20 -1.948 1.672 3.125 110 HG2 LYS 20 1HG LYS 20 -2.246 2.608 5.171 111 HG3 LYS 20 2HG LYS 20 -2.577 0.922 5.577 112 HD2 LYS 20 1HD LYS 20 0.219 1.958 5.762 113 HD3 LYS 20 2HD LYS 20 -0.935 2.342 7.042 114 HE2 LYS 20 1HE LYS 20 -1.418 -0.159 7.126 115 HE3 LYS 20 2HE LYS 20 0.031 -0.359 6.142 116 HZ1 LYS 20 3HZ LYS 20 0.605 -0.615 8.434 117 HZ2 LYS 20 1HZ LYS 20 -0.125 0.855 8.847 118 HZ3 LYS 20 2HZ LYS 20 1.270 0.843 7.890 119 H ALA 21 H ALA 21 -3.538 -0.579 4.942 120 HA ALA 21 HA ALA 21 -5.132 -1.190 2.542 121 HB1 ALA 21 3HB ALA 21 -5.853 -3.138 3.355 122 HB2 ALA 21 1HB ALA 21 -4.523 -3.023 4.507 123 HB3 ALA 21 2HB ALA 21 -6.133 -2.460 4.959 124 H PHE 22 H PHE 22 -7.212 -0.378 2.486 125 HA PHE 22 HA PHE 22 -8.165 1.159 4.782 126 HB2 PHE 22 1HB PHE 22 -8.016 2.343 2.003 127 HB3 PHE 22 2HB PHE 22 -8.596 3.142 3.461 128 HD1 PHE 22 HD1 PHE 22 -5.645 1.972 1.640 129 HD2 PHE 22 HD2 PHE 22 -7.062 3.999 5.104 130 HE1 PHE 22 HE1 PHE 22 -3.372 2.804 2.079 131 HE2 PHE 22 HE2 PHE 22 -4.792 4.836 5.548 132 HZ PHE 22 HZ PHE 22 -2.943 4.239 4.034 133 H SER 23 H SER 23 -10.429 1.664 4.695 134 HA SER 23 HA SER 23 -11.925 -0.360 3.230 135 HB2 SER 23 1HB SER 23 -12.165 0.382 5.774 136 HB3 SER 23 2HB SER 23 -13.270 1.564 5.073 137 HG SER 23 HG SER 23 -14.395 -0.194 4.114 138 H HIS 24 H HIS 24 -11.354 3.051 3.210 139 HA HIS 24 HA HIS 24 -13.487 3.422 1.215 140 HB2 HIS 24 1HB HIS 24 -13.132 4.862 3.467 141 HB3 HIS 24 2HB HIS 24 -12.126 5.793 2.361 142 HD1 HIS 24 HD1 HIS 24 -13.299 7.334 0.766 143 HD2 HIS 24 HD2 HIS 24 -15.905 4.712 2.661 144 HE1 HIS 24 HE1 HIS 24 -15.608 8.114 0.144 145 H ARG 25 H ARG 25 -13.024 4.719 -0.653 146 HA ARG 25 HA ARG 25 -10.439 4.143 -1.759 147 HB2 ARG 25 1HB ARG 25 -12.787 4.246 -2.927 148 HB3 ARG 25 2HB ARG 25 -12.416 5.958 -3.087 149 HG2 ARG 25 1HG ARG 25 -10.288 5.312 -4.220 150 HG3 ARG 25 2HG ARG 25 -10.854 3.640 -4.199 151 HD2 ARG 25 1HD ARG 25 -12.765 4.220 -5.545 152 HD3 ARG 25 2HD ARG 25 -12.353 5.932 -5.458 153 HE ARG 25 HE ARG 25 -11.302 4.029 -7.277 154 HH11 ARG 25 1HH1 ARG 25 -10.429 6.832 -5.407 155 HH12 ARG 25 2HH1 ARG 25 -9.167 7.322 -6.488 156 HH21 ARG 25 1HH2 ARG 25 -9.644 4.663 -8.709 157 HH22 ARG 25 2HH2 ARG 25 -8.722 6.088 -8.366 158 H GLN 26 H GLN 26 -12.243 7.189 -1.293 159 HA GLN 26 HA GLN 26 -10.324 9.000 -1.979 160 HB2 GLN 26 1HB GLN 26 -12.661 9.522 -1.257 161 HB3 GLN 26 2HB GLN 26 -12.149 9.298 0.410 162 HG2 GLN 26 1HG GLN 26 -12.104 11.605 0.070 163 HG3 GLN 26 2HG GLN 26 -10.419 11.100 -0.041 164 HE21 GLN 26 1HE2 GLN 26 -9.585 12.577 -1.379 165 HE22 GLN 26 2HE2 GLN 26 -10.143 12.886 -2.985 166 H SER 27 H SER 27 -10.673 7.376 1.149 167 HA SER 27 HA SER 27 -8.680 8.715 2.554 168 HB2 SER 27 1HB SER 27 -9.881 5.977 2.764 169 HB3 SER 27 2HB SER 27 -8.488 6.390 3.763 170 HG SER 27 HG SER 27 -9.900 7.284 5.027 171 H LEU 28 H LEU 28 -8.433 5.765 0.587 172 HA LEU 28 HA LEU 28 -5.708 5.285 0.987 173 HB2 LEU 28 1HB LEU 28 -6.951 3.551 0.030 174 HB3 LEU 28 2HB LEU 28 -7.614 4.599 -1.222 175 HG LEU 28 HG LEU 28 -5.372 4.684 -2.276 176 HD11 LEU 28 1HD1 LEU 28 -3.546 3.880 -1.300 177 HD12 LEU 28 2HD1 LEU 28 -4.326 2.337 -0.954 178 HD13 LEU 28 3HD1 LEU 28 -4.507 3.687 0.166 179 HD21 LEU 28 3HD2 LEU 28 -7.106 3.074 -2.987 180 HD22 LEU 28 1HD2 LEU 28 -6.425 1.886 -1.875 181 HD23 LEU 28 2HD2 LEU 28 -5.467 2.471 -3.236 182 H SER 29 H SER 29 -7.306 6.951 -1.730 183 HA SER 29 HA SER 29 -5.132 7.673 -3.219 184 HB2 SER 29 1HB SER 29 -7.610 9.311 -2.640 185 HB3 SER 29 2HB SER 29 -6.455 9.679 -3.920 186 HG SER 29 HG SER 29 -7.860 7.225 -3.679 187 H VAL 30 H VAL 30 -6.528 9.585 -0.554 188 HA VAL 30 HA VAL 30 -4.619 11.631 -0.570 189 HB VAL 30 HB VAL 30 -6.254 10.575 1.740 190 HG11 VAL 30 1HG1 VAL 30 -5.490 13.361 1.889 191 HG12 VAL 30 2HG1 VAL 30 -5.319 12.079 3.090 192 HG13 VAL 30 3HG1 VAL 30 -4.080 12.302 1.855 193 HG21 VAL 30 3HG2 VAL 30 -6.801 12.378 -0.519 194 HG22 VAL 30 1HG2 VAL 30 -7.905 11.403 0.452 195 HG23 VAL 30 2HG2 VAL 30 -7.338 12.960 1.056 196 H HIS 31 H HIS 31 -4.781 8.704 1.454 197 HA HIS 31 HA HIS 31 -2.531 9.052 2.988 198 HB2 HIS 31 1HB HIS 31 -3.681 7.162 3.604 199 HB3 HIS 31 2HB HIS 31 -3.967 6.663 1.940 200 HD1 HIS 31 HD1 HIS 31 -1.262 6.635 4.575 201 HD2 HIS 31 HD2 HIS 31 -2.181 4.829 0.948 202 HE1 HIS 31 HE1 HIS 31 0.441 4.808 4.284 203 H GLN 32 H GLN 32 -2.712 7.641 -0.266 204 HA GLN 32 HA GLN 32 -0.119 6.842 -0.637 205 HB2 GLN 32 1HB GLN 32 -2.136 8.028 -2.514 206 HB3 GLN 32 2HB GLN 32 -0.521 7.629 -3.086 207 HG2 GLN 32 1HG GLN 32 -0.913 5.305 -2.188 208 HG3 GLN 32 2HG GLN 32 -2.599 5.772 -1.970 209 HE21 GLN 32 1HE2 GLN 32 -3.916 5.989 -3.737 210 HE22 GLN 32 2HE2 GLN 32 -3.453 5.501 -5.328 211 H ARG 33 H ARG 33 -1.346 10.080 -0.424 212 HA ARG 33 HA ARG 33 0.569 11.576 -1.707 213 HB2 ARG 33 1HB ARG 33 -0.867 12.130 0.890 214 HB3 ARG 33 2HB ARG 33 0.115 13.324 0.053 215 HG2 ARG 33 1HG ARG 33 -1.351 13.305 -1.835 216 HG3 ARG 33 2HG ARG 33 -2.260 11.944 -1.174 217 HD2 ARG 33 1HD ARG 33 -3.548 13.880 -0.739 218 HD3 ARG 33 2HD ARG 33 -2.809 13.421 0.794 219 HE ARG 33 HE ARG 33 -1.052 15.206 -0.142 220 HH11 ARG 33 1HH1 ARG 33 -4.523 15.297 0.102 221 HH12 ARG 33 2HH1 ARG 33 -4.595 17.016 0.304 222 HH21 ARG 33 1HH2 ARG 33 -1.133 17.470 0.123 223 HH22 ARG 33 2HH2 ARG 33 -2.666 18.252 0.315 224 H ILE 34 H ILE 34 0.721 10.177 1.542 225 HA ILE 34 HA ILE 34 3.018 11.284 2.528 226 HB ILE 34 HB ILE 34 3.296 9.385 3.921 227 HG12 ILE 34 1HG1 ILE 34 1.579 7.824 1.979 228 HG13 ILE 34 2HG1 ILE 34 3.331 7.699 2.098 229 HG21 ILE 34 1HG2 ILE 34 0.719 10.507 3.433 230 HG22 ILE 34 2HG2 ILE 34 0.531 8.822 3.913 231 HG23 ILE 34 3HG2 ILE 34 1.412 9.941 4.952 232 HD11 ILE 34 3HD1 ILE 34 1.280 6.888 4.133 233 HD12 ILE 34 1HD1 ILE 34 2.428 5.864 3.270 234 HD13 ILE 34 2HD1 ILE 34 3.003 7.002 4.489 235 H HIS 35 H HIS 35 2.716 8.836 0.039 236 HA HIS 35 HA HIS 35 5.528 8.237 -0.036 237 HB2 HIS 35 1HB HIS 35 3.509 7.617 -2.190 238 HB3 HIS 35 2HB HIS 35 5.015 6.774 -1.841 239 HD1 HIS 35 HD1 HIS 35 4.845 6.009 0.998 240 HD2 HIS 35 HD2 HIS 35 1.495 5.986 -1.459 241 HE1 HIS 35 HE1 HIS 35 3.214 4.443 2.099 242 H SER 36 H SER 36 3.388 10.505 -1.554 243 HA SER 36 HA SER 36 3.728 12.220 -3.009 244 HB2 SER 36 1HB SER 36 5.722 12.462 -1.298 245 HB3 SER 36 2HB SER 36 6.696 11.998 -2.693 246 HG SER 36 HG SER 36 4.783 14.075 -2.825 247 H GLY 37 H GLY 37 3.644 9.528 -4.025 248 HA2 GLY 37 1HA GLY 37 4.172 8.281 -5.897 249 HA3 GLY 37 2HA GLY 37 4.066 9.847 -6.689 250 H LYS 38 H LYS 38 6.258 7.575 -5.126 251 HA LYS 38 HA LYS 38 8.651 8.967 -5.654 252 HB2 LYS 38 1HB LYS 38 8.482 7.118 -4.034 253 HB3 LYS 38 2HB LYS 38 8.213 5.989 -5.356 254 HG2 LYS 38 1HG LYS 38 10.434 5.664 -5.057 255 HG3 LYS 38 2HG LYS 38 10.510 7.010 -6.196 256 HD2 LYS 38 1HD LYS 38 10.349 7.673 -3.309 257 HD3 LYS 38 2HD LYS 38 11.867 6.995 -3.902 258 HE2 LYS 38 1HE LYS 38 10.618 9.195 -5.460 259 HE3 LYS 38 2HE LYS 38 11.382 9.603 -3.924 260 HZ1 LYS 38 3HZ LYS 38 13.051 9.830 -5.524 261 HZ2 LYS 38 1HZ LYS 38 12.626 8.400 -6.322 262 HZ3 LYS 38 2HZ LYS 38 13.370 8.332 -4.805 263 H LYS 39 H LYS 39 9.523 9.438 -7.551 264 HA LYS 39 HA LYS 39 8.746 7.935 -9.923 265 HB2 LYS 39 1HB LYS 39 10.117 9.752 -11.083 266 HB3 LYS 39 2HB LYS 39 8.639 10.260 -10.277 267 HG2 LYS 39 1HG LYS 39 9.895 11.096 -8.400 268 HG3 LYS 39 2HG LYS 39 11.397 10.477 -9.089 269 HD2 LYS 39 1HD LYS 39 11.500 12.682 -9.733 270 HD3 LYS 39 2HD LYS 39 10.706 11.964 -11.137 271 HE2 LYS 39 1HE LYS 39 9.437 13.871 -10.664 272 HE3 LYS 39 2HE LYS 39 8.510 12.546 -9.961 273 HZ1 LYS 39 3HZ LYS 39 9.054 13.177 -7.832 274 HZ2 LYS 39 1HZ LYS 39 8.915 14.682 -8.594 275 HZ3 LYS 39 2HZ LYS 39 10.443 14.019 -8.303 276 HA PRO 40 HA PRO 40 12.467 5.509 -9.675 277 HB2 PRO 40 1HB PRO 40 12.100 4.182 -12.015 278 HB3 PRO 40 2HB PRO 40 11.213 3.787 -10.538 279 HG2 PRO 40 1HG PRO 40 10.343 5.424 -12.888 280 HG3 PRO 40 2HG PRO 40 9.436 4.202 -11.978 281 HD2 PRO 40 1HD PRO 40 9.100 6.860 -11.583 282 HD3 PRO 40 2HD PRO 40 8.920 5.670 -10.278 283 H SER 41 H SER 41 11.531 7.072 -12.737 284 HA SER 41 HA SER 41 14.091 8.340 -12.978 285 HB2 SER 41 1HB SER 41 14.617 7.282 -15.206 286 HB3 SER 41 2HB SER 41 14.793 6.203 -13.822 287 HG SER 41 HG SER 41 12.316 6.273 -15.102 288 H GLY 42 H GLY 42 13.434 10.309 -13.536 289 HA2 GLY 42 1HA GLY 42 11.093 10.643 -15.244 290 HA3 GLY 42 2HA GLY 42 11.934 11.914 -14.369 291 HA PRO 43 HA PRO 43 13.037 12.459 -18.795 292 HB2 PRO 43 1HB PRO 43 13.021 15.171 -18.684 293 HB3 PRO 43 2HB PRO 43 11.561 14.212 -18.956 294 HG2 PRO 43 1HG PRO 43 12.565 15.460 -16.427 295 HG3 PRO 43 2HG PRO 43 10.914 15.412 -17.072 296 HD2 PRO 43 1HD PRO 43 11.763 13.742 -15.117 297 HD3 PRO 43 2HD PRO 43 10.548 13.264 -16.320 298 H SER 44 H SER 44 14.733 14.262 -19.602 299 HA SER 44 HA SER 44 17.111 13.818 -17.949 300 HB2 SER 44 1HB SER 44 16.865 14.672 -20.844 301 HB3 SER 44 2HB SER 44 18.382 14.378 -19.995 302 HG SER 44 HG SER 44 16.348 12.518 -20.640 303 H SER 45 H SER 45 16.797 15.465 -16.427 304 HA SER 45 HA SER 45 16.877 18.215 -17.466 305 HB2 SER 45 1HB SER 45 15.016 17.635 -15.906 306 HB3 SER 45 2HB SER 45 16.215 17.293 -14.659 307 HG SER 45 HG SER 45 15.230 19.483 -14.723 308 H GLY 46 H GLY 46 18.247 16.239 -14.828 309 HA2 GLY 46 1HA GLY 46 20.844 16.402 -15.052 310 HA3 GLY 46 2HA GLY 46 20.518 18.090 -14.685 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -4.074 -32.342 3.700 2 HA2 GLY 1 1HA GLY 1 -6.465 -32.038 5.022 3 HA3 GLY 1 2HA GLY 1 -5.258 -32.138 6.296 4 H SER 2 H SER 2 -6.847 -30.107 4.141 5 HA SER 2 HA SER 2 -5.308 -27.835 5.051 6 HB2 SER 2 1HB SER 2 -5.284 -28.744 2.186 7 HB3 SER 2 2HB SER 2 -5.125 -27.033 2.581 8 HG SER 2 HG SER 2 -3.417 -29.172 3.284 9 H SER 3 H SER 3 -6.378 -25.841 4.745 10 HA SER 3 HA SER 3 -9.180 -26.083 3.861 11 HB2 SER 3 1HB SER 3 -9.899 -24.685 5.652 12 HB3 SER 3 2HB SER 3 -8.836 -25.893 6.374 13 HG SER 3 HG SER 3 -7.668 -24.300 7.054 14 H GLY 4 H GLY 4 -10.088 -24.324 2.787 15 HA2 GLY 4 1HA GLY 4 -8.228 -22.143 2.085 16 HA3 GLY 4 2HA GLY 4 -9.121 -22.998 0.835 17 H SER 5 H SER 5 -11.614 -23.172 1.625 18 HA SER 5 HA SER 5 -12.631 -20.565 1.328 19 HB2 SER 5 1HB SER 5 -14.086 -23.038 2.294 20 HB3 SER 5 2HB SER 5 -14.835 -21.578 1.648 21 HG SER 5 HG SER 5 -13.198 -23.447 0.288 22 H SER 6 H SER 6 -12.110 -19.120 2.889 23 HA SER 6 HA SER 6 -13.124 -19.687 5.595 24 HB2 SER 6 1HB SER 6 -10.448 -18.672 4.752 25 HB3 SER 6 2HB SER 6 -11.155 -18.008 6.225 26 HG SER 6 HG SER 6 -11.508 -20.380 6.721 27 H GLY 7 H GLY 7 -14.500 -18.215 6.365 28 HA2 GLY 7 1HA GLY 7 -15.307 -16.007 4.752 29 HA3 GLY 7 2HA GLY 7 -15.890 -16.379 6.367 30 H THR 8 H THR 8 -13.377 -14.757 4.527 31 HA THR 8 HA THR 8 -12.861 -13.062 6.878 32 HB THR 8 HB THR 8 -10.741 -13.871 4.883 33 HG1 THR 8 HG1 THR 8 -10.717 -15.666 6.009 34 HG21 THR 8 3HG2 THR 8 -10.887 -11.818 6.839 35 HG22 THR 8 1HG2 THR 8 -9.516 -12.269 5.827 36 HG23 THR 8 2HG2 THR 8 -9.731 -13.023 7.406 37 H GLY 9 H GLY 9 -14.239 -11.448 6.101 38 HA2 GLY 9 1HA GLY 9 -14.200 -10.424 3.475 39 HA3 GLY 9 2HA GLY 9 -14.826 -9.589 4.889 40 H GLU 10 H GLU 10 -12.337 -9.737 2.585 41 HA GLU 10 HA GLU 10 -10.596 -7.971 4.147 42 HB2 GLU 10 1HB GLU 10 -8.919 -8.377 2.416 43 HB3 GLU 10 2HB GLU 10 -9.525 -9.892 3.070 44 HG2 GLU 10 1HG GLU 10 -11.181 -9.693 1.019 45 HG3 GLU 10 2HG GLU 10 -9.865 -8.717 0.371 46 H LYS 11 H LYS 11 -10.178 -5.890 3.575 47 HA LYS 11 HA LYS 11 -12.086 -4.438 2.150 48 HB2 LYS 11 1HB LYS 11 -9.236 -3.716 2.852 49 HB3 LYS 11 2HB LYS 11 -10.420 -2.575 2.228 50 HG2 LYS 11 1HG LYS 11 -11.795 -2.848 4.175 51 HG3 LYS 11 2HG LYS 11 -10.754 -4.140 4.778 52 HD2 LYS 11 1HD LYS 11 -9.515 -1.500 4.196 53 HD3 LYS 11 2HD LYS 11 -10.526 -1.643 5.636 54 HE2 LYS 11 1HE LYS 11 -8.388 -3.661 5.074 55 HE3 LYS 11 2HE LYS 11 -7.979 -2.112 5.809 56 HZ1 LYS 11 3HZ LYS 11 -9.636 -2.608 7.552 57 HZ2 LYS 11 1HZ LYS 11 -8.355 -3.713 7.524 58 HZ3 LYS 11 2HZ LYS 11 -9.858 -4.145 6.881 59 HA PRO 12 HA PRO 12 -10.973 -5.076 -2.068 60 HB2 PRO 12 1HB PRO 12 -12.198 -2.903 -3.139 61 HB3 PRO 12 2HB PRO 12 -13.084 -4.325 -2.575 62 HG2 PRO 12 1HG PRO 12 -12.627 -1.708 -1.195 63 HG3 PRO 12 2HG PRO 12 -14.110 -2.675 -1.297 64 HD2 PRO 12 1HD PRO 12 -12.510 -2.687 0.887 65 HD3 PRO 12 2HD PRO 12 -13.438 -4.112 0.375 66 H TYR 13 H TYR 13 -10.235 -2.110 -0.378 67 HA TYR 13 HA TYR 13 -8.264 -1.389 -2.433 68 HB2 TYR 13 1HB TYR 13 -9.131 0.305 -0.090 69 HB3 TYR 13 2HB TYR 13 -8.274 0.824 -1.537 70 HD1 TYR 13 HD2 TYR 13 -9.472 0.998 -3.691 71 HD2 TYR 13 HD1 TYR 13 -11.514 0.066 -0.076 72 HE1 TYR 13 HE2 TYR 13 -11.613 1.562 -4.761 73 HE2 TYR 13 HE1 TYR 13 -13.661 0.626 -1.137 74 HH TYR 13 HH TYR 13 -14.204 2.346 -3.395 75 H GLU 14 H GLU 14 -6.133 -1.496 -2.048 76 HA GLU 14 HA GLU 14 -5.078 -1.536 0.639 77 HB2 GLU 14 1HB GLU 14 -5.742 -3.891 0.292 78 HB3 GLU 14 2HB GLU 14 -4.731 -3.952 -1.145 79 HG2 GLU 14 1HG GLU 14 -3.296 -4.870 0.345 80 HG3 GLU 14 2HG GLU 14 -2.875 -3.173 0.566 81 H CYS 15 H CYS 15 -3.424 -0.185 0.502 82 HA CYS 15 HA CYS 15 -2.171 0.599 -1.876 83 HB2 CYS 15 1HB CYS 15 -2.227 1.661 0.553 84 HB3 CYS 15 2HB CYS 15 -0.694 0.810 0.709 85 H SER 16 H SER 16 -0.192 0.100 -2.797 86 HA SER 16 HA SER 16 0.899 -2.511 -2.010 87 HB2 SER 16 1HB SER 16 0.175 -2.561 -4.276 88 HB3 SER 16 2HB SER 16 0.928 -1.006 -4.627 89 HG SER 16 HG SER 16 2.154 -2.797 -5.402 90 H VAL 17 H VAL 17 1.976 0.674 -3.185 91 HA VAL 17 HA VAL 17 4.653 0.538 -3.052 92 HB VAL 17 HB VAL 17 4.648 2.892 -2.102 93 HG11 VAL 17 1HG1 VAL 17 4.459 2.204 -4.549 94 HG12 VAL 17 2HG1 VAL 17 2.738 2.568 -4.399 95 HG13 VAL 17 3HG1 VAL 17 3.936 3.835 -4.131 96 HG21 VAL 17 3HG2 VAL 17 1.885 2.113 -1.585 97 HG22 VAL 17 1HG2 VAL 17 2.847 3.415 -0.884 98 HG23 VAL 17 2HG2 VAL 17 2.031 3.654 -2.429 99 H CYS 18 H CYS 18 2.534 0.915 -0.229 100 HA CYS 18 HA CYS 18 4.844 0.332 1.501 101 HB2 CYS 18 1HB CYS 18 3.607 1.403 3.311 102 HB3 CYS 18 2HB CYS 18 3.746 2.497 1.938 103 H GLY 19 H GLY 19 1.454 -0.461 0.880 104 HA2 GLY 19 1HA GLY 19 0.759 -2.775 0.969 105 HA3 GLY 19 2HA GLY 19 1.900 -3.015 2.283 106 H LYS 20 H LYS 20 -0.063 -0.163 2.239 107 HA LYS 20 HA LYS 20 -1.307 -0.959 4.723 108 HB2 LYS 20 1HB LYS 20 -0.418 1.399 4.016 109 HB3 LYS 20 2HB LYS 20 -1.992 1.558 3.247 110 HG2 LYS 20 1HG LYS 20 -3.117 1.609 5.240 111 HG3 LYS 20 2HG LYS 20 -1.871 0.694 6.092 112 HD2 LYS 20 1HD LYS 20 -0.420 2.830 5.564 113 HD3 LYS 20 2HD LYS 20 -2.003 3.604 5.462 114 HE2 LYS 20 1HE LYS 20 -2.370 2.306 7.741 115 HE3 LYS 20 2HE LYS 20 -0.611 2.406 7.800 116 HZ1 LYS 20 3HZ LYS 20 -1.709 4.906 7.065 117 HZ2 LYS 20 1HZ LYS 20 -0.744 4.519 8.400 118 HZ3 LYS 20 2HZ LYS 20 -2.426 4.370 8.501 119 H ALA 21 H ALA 21 -3.716 -0.348 4.970 120 HA ALA 21 HA ALA 21 -5.235 -1.196 2.599 121 HB1 ALA 21 3HB ALA 21 -6.428 -2.824 3.732 122 HB2 ALA 21 1HB ALA 21 -4.801 -3.023 4.385 123 HB3 ALA 21 2HB ALA 21 -6.027 -2.162 5.317 124 H PHE 22 H PHE 22 -7.472 -0.557 2.603 125 HA PHE 22 HA PHE 22 -8.363 1.333 4.607 126 HB2 PHE 22 1HB PHE 22 -8.111 2.232 1.731 127 HB3 PHE 22 2HB PHE 22 -8.685 3.188 3.093 128 HD1 PHE 22 HD2 PHE 22 -7.136 4.080 4.730 129 HD2 PHE 22 HD1 PHE 22 -5.763 1.813 1.400 130 HE1 PHE 22 HE2 PHE 22 -4.844 4.877 5.137 131 HE2 PHE 22 HE1 PHE 22 -3.468 2.606 1.802 132 HZ PHE 22 HZ PHE 22 -3.007 4.141 3.671 133 H SER 23 H SER 23 -10.608 2.033 4.234 134 HA SER 23 HA SER 23 -12.145 -0.161 3.092 135 HB2 SER 23 1HB SER 23 -14.046 1.410 4.140 136 HB3 SER 23 2HB SER 23 -13.104 0.289 5.123 137 HG SER 23 HG SER 23 -12.958 2.210 6.156 138 H HIS 24 H HIS 24 -11.830 3.351 2.763 139 HA HIS 24 HA HIS 24 -13.345 3.174 0.242 140 HB2 HIS 24 1HB HIS 24 -14.066 4.674 2.358 141 HB3 HIS 24 2HB HIS 24 -13.001 5.817 1.545 142 HD1 HIS 24 HD1 HIS 24 -13.895 6.976 -0.507 143 HD2 HIS 24 HD2 HIS 24 -16.352 3.892 0.802 144 HE1 HIS 24 HE1 HIS 24 -16.005 7.177 -1.860 145 H ARG 25 H ARG 25 -12.707 4.825 -1.398 146 HA ARG 25 HA ARG 25 -9.909 4.656 -1.888 147 HB2 ARG 25 1HB ARG 25 -12.194 6.026 -3.283 148 HB3 ARG 25 2HB ARG 25 -10.534 6.255 -3.816 149 HG2 ARG 25 1HG ARG 25 -11.871 3.571 -3.571 150 HG3 ARG 25 2HG ARG 25 -11.780 4.508 -5.064 151 HD2 ARG 25 1HD ARG 25 -9.216 4.536 -4.524 152 HD3 ARG 25 2HD ARG 25 -9.615 3.120 -3.552 153 HE ARG 25 HE ARG 25 -9.838 1.922 -5.482 154 HH11 ARG 25 1HH1 ARG 25 -10.045 5.313 -6.240 155 HH12 ARG 25 2HH1 ARG 25 -10.071 5.062 -7.954 156 HH21 ARG 25 1HH2 ARG 25 -9.872 1.578 -7.736 157 HH22 ARG 25 2HH2 ARG 25 -9.974 2.937 -8.804 158 H GLN 26 H GLN 26 -12.057 7.447 -1.321 159 HA GLN 26 HA GLN 26 -10.397 9.545 -1.374 160 HB2 GLN 26 1HB GLN 26 -12.869 9.279 -0.469 161 HB3 GLN 26 2HB GLN 26 -12.062 9.318 1.093 162 HG2 GLN 26 1HG GLN 26 -11.553 11.428 -0.968 163 HG3 GLN 26 2HG GLN 26 -12.944 11.513 0.112 164 HE21 GLN 26 1HE2 GLN 26 -10.559 13.228 -0.133 165 HE22 GLN 26 2HE2 GLN 26 -9.853 13.266 1.444 166 H SER 27 H SER 27 -10.491 7.135 1.200 167 HA SER 27 HA SER 27 -8.604 8.453 2.878 168 HB2 SER 27 1HB SER 27 -9.670 5.633 2.779 169 HB3 SER 27 2HB SER 27 -8.443 6.127 3.945 170 HG SER 27 HG SER 27 -10.788 7.646 3.684 171 H LEU 28 H LEU 28 -8.318 5.537 0.842 172 HA LEU 28 HA LEU 28 -5.608 5.099 1.130 173 HB2 LEU 28 1HB LEU 28 -6.831 3.439 0.036 174 HB3 LEU 28 2HB LEU 28 -7.512 4.578 -1.123 175 HG LEU 28 HG LEU 28 -5.287 4.765 -2.190 176 HD11 LEU 28 1HD1 LEU 28 -4.571 2.720 -0.109 177 HD12 LEU 28 2HD1 LEU 28 -3.776 4.254 -0.462 178 HD13 LEU 28 3HD1 LEU 28 -3.655 2.916 -1.603 179 HD21 LEU 28 3HD2 LEU 28 -6.136 3.225 -3.542 180 HD22 LEU 28 1HD2 LEU 28 -7.077 2.535 -2.220 181 HD23 LEU 28 2HD2 LEU 28 -5.432 1.972 -2.518 182 H SER 29 H SER 29 -7.276 7.312 -1.050 183 HA SER 29 HA SER 29 -5.036 8.062 -2.588 184 HB2 SER 29 1HB SER 29 -7.616 9.512 -1.971 185 HB3 SER 29 2HB SER 29 -6.415 10.113 -3.113 186 HG SER 29 HG SER 29 -7.064 8.694 -4.524 187 H VAL 30 H VAL 30 -6.655 9.895 0.013 188 HA VAL 30 HA VAL 30 -4.790 11.917 0.285 189 HB VAL 30 HB VAL 30 -6.437 10.657 2.483 190 HG11 VAL 30 1HG1 VAL 30 -6.222 12.965 3.495 191 HG12 VAL 30 2HG1 VAL 30 -4.766 11.968 3.523 192 HG13 VAL 30 3HG1 VAL 30 -4.931 13.257 2.330 193 HG21 VAL 30 3HG2 VAL 30 -7.424 13.174 1.573 194 HG22 VAL 30 1HG2 VAL 30 -7.216 12.105 0.186 195 HG23 VAL 30 2HG2 VAL 30 -8.217 11.600 1.547 196 H HIS 31 H HIS 31 -4.429 8.619 1.014 197 HA HIS 31 HA HIS 31 -2.291 9.054 2.949 198 HB2 HIS 31 1HB HIS 31 -3.452 7.202 3.654 199 HB3 HIS 31 2HB HIS 31 -3.863 6.702 2.016 200 HD1 HIS 31 HD1 HIS 31 -0.960 6.644 4.439 201 HD2 HIS 31 HD2 HIS 31 -2.227 4.784 0.946 202 HE1 HIS 31 HE1 HIS 31 0.662 4.761 4.053 203 H GLN 32 H GLN 32 -2.642 7.192 -0.078 204 HA GLN 32 HA GLN 32 -0.097 6.522 -0.630 205 HB2 GLN 32 1HB GLN 32 -2.282 7.496 -2.436 206 HB3 GLN 32 2HB GLN 32 -0.702 7.108 -3.102 207 HG2 GLN 32 1HG GLN 32 -0.878 4.853 -2.510 208 HG3 GLN 32 2HG GLN 32 -2.208 5.161 -1.395 209 HE21 GLN 32 1HE2 GLN 32 -1.825 3.426 -3.850 210 HE22 GLN 32 2HE2 GLN 32 -3.209 3.771 -4.825 211 H ARG 33 H ARG 33 -1.491 9.738 -1.107 212 HA ARG 33 HA ARG 33 0.451 11.058 -2.469 213 HB2 ARG 33 1HB ARG 33 -0.121 13.064 -1.004 214 HB3 ARG 33 2HB ARG 33 -1.459 12.290 -1.844 215 HG2 ARG 33 1HG ARG 33 -2.219 11.244 0.138 216 HG3 ARG 33 2HG ARG 33 -0.744 11.671 1.007 217 HD2 ARG 33 1HD ARG 33 -2.336 13.211 1.762 218 HD3 ARG 33 2HD ARG 33 -1.396 14.099 0.563 219 HE ARG 33 HE ARG 33 -3.564 12.978 -0.761 220 HH11 ARG 33 1HH1 ARG 33 -2.984 15.307 1.761 221 HH12 ARG 33 2HH1 ARG 33 -4.407 16.232 1.414 222 HH21 ARG 33 1HH2 ARG 33 -5.441 14.187 -1.228 223 HH22 ARG 33 2HH2 ARG 33 -5.804 15.593 -0.286 224 H ILE 34 H ILE 34 0.498 10.260 0.980 225 HA ILE 34 HA ILE 34 2.703 11.610 1.856 226 HB ILE 34 HB ILE 34 2.955 10.027 3.576 227 HG12 ILE 34 1HG1 ILE 34 1.605 8.011 1.766 228 HG13 ILE 34 2HG1 ILE 34 3.319 8.051 2.165 229 HG21 ILE 34 1HG2 ILE 34 0.943 10.488 4.387 230 HG22 ILE 34 2HG2 ILE 34 0.380 10.853 2.757 231 HG23 ILE 34 3HG2 ILE 34 0.231 9.216 3.396 232 HD11 ILE 34 3HD1 ILE 34 1.711 6.423 3.399 233 HD12 ILE 34 1HD1 ILE 34 2.978 7.265 4.291 234 HD13 ILE 34 2HD1 ILE 34 1.315 7.849 4.357 235 H HIS 35 H HIS 35 2.632 8.683 -0.101 236 HA HIS 35 HA HIS 35 5.447 8.219 0.012 237 HB2 HIS 35 1HB HIS 35 3.607 7.231 -2.160 238 HB3 HIS 35 2HB HIS 35 5.075 6.476 -1.546 239 HD1 HIS 35 HD1 HIS 35 4.623 6.213 1.369 240 HD2 HIS 35 HD2 HIS 35 1.558 5.663 -1.382 241 HE1 HIS 35 HE1 HIS 35 2.904 4.807 2.549 242 H SER 36 H SER 36 3.330 10.099 -2.021 243 HA SER 36 HA SER 36 5.343 10.549 -4.047 244 HB2 SER 36 1HB SER 36 3.014 10.466 -4.738 245 HB3 SER 36 2HB SER 36 2.607 11.777 -3.631 246 HG SER 36 HG SER 36 2.921 12.452 -5.834 247 H GLY 37 H GLY 37 7.008 11.444 -2.709 248 HA2 GLY 37 1HA GLY 37 7.128 14.242 -2.742 249 HA3 GLY 37 2HA GLY 37 6.686 13.745 -1.116 250 H LYS 38 H LYS 38 8.216 11.291 -1.171 251 HA LYS 38 HA LYS 38 10.825 12.447 -0.602 252 HB2 LYS 38 1HB LYS 38 11.319 10.278 0.442 253 HB3 LYS 38 2HB LYS 38 9.829 10.973 1.068 254 HG2 LYS 38 1HG LYS 38 8.509 9.381 0.085 255 HG3 LYS 38 2HG LYS 38 9.673 9.053 -1.201 256 HD2 LYS 38 1HD LYS 38 10.204 8.358 1.678 257 HD3 LYS 38 2HD LYS 38 9.386 7.252 0.571 258 HE2 LYS 38 1HE LYS 38 11.361 7.467 -0.955 259 HE3 LYS 38 2HE LYS 38 12.173 8.372 0.321 260 HZ1 LYS 38 3HZ LYS 38 11.570 5.524 0.158 261 HZ2 LYS 38 1HZ LYS 38 11.458 6.238 1.688 262 HZ3 LYS 38 2HZ LYS 38 12.911 6.310 0.825 263 H LYS 39 H LYS 39 10.336 12.483 -3.292 264 HA LYS 39 HA LYS 39 12.252 10.477 -4.268 265 HB2 LYS 39 1HB LYS 39 10.930 10.513 -6.447 266 HB3 LYS 39 2HB LYS 39 10.206 9.646 -5.098 267 HG2 LYS 39 1HG LYS 39 8.387 10.801 -5.795 268 HG3 LYS 39 2HG LYS 39 9.060 12.000 -4.687 269 HD2 LYS 39 1HD LYS 39 8.586 13.217 -6.628 270 HD3 LYS 39 2HD LYS 39 10.319 12.899 -6.733 271 HE2 LYS 39 1HE LYS 39 9.964 11.119 -8.291 272 HE3 LYS 39 2HE LYS 39 8.218 11.193 -8.058 273 HZ1 LYS 39 3HZ LYS 39 8.387 12.405 -9.947 274 HZ2 LYS 39 1HZ LYS 39 9.961 12.934 -9.623 275 HZ3 LYS 39 2HZ LYS 39 8.648 13.664 -8.847 276 HA PRO 40 HA PRO 40 14.413 13.907 -5.969 277 HB2 PRO 40 1HB PRO 40 15.712 12.678 -8.010 278 HB3 PRO 40 2HB PRO 40 16.160 12.457 -6.315 279 HG2 PRO 40 1HG PRO 40 14.515 10.690 -8.085 280 HG3 PRO 40 2HG PRO 40 15.781 10.245 -6.926 281 HD2 PRO 40 1HD PRO 40 13.142 10.030 -6.356 282 HD3 PRO 40 2HD PRO 40 14.358 10.408 -5.119 283 H SER 41 H SER 41 13.059 15.371 -6.888 284 HA SER 41 HA SER 41 12.360 14.935 -9.710 285 HB2 SER 41 1HB SER 41 10.293 14.575 -8.581 286 HB3 SER 41 2HB SER 41 10.557 15.951 -7.511 287 HG SER 41 HG SER 41 10.606 16.629 -10.157 288 H GLY 42 H GLY 42 13.958 16.264 -10.491 289 HA2 GLY 42 1HA GLY 42 13.751 19.105 -9.701 290 HA3 GLY 42 2HA GLY 42 15.283 18.337 -10.089 291 HA PRO 43 HA PRO 43 14.890 19.422 -14.312 292 HB2 PRO 43 1HB PRO 43 15.783 17.213 -15.612 293 HB3 PRO 43 2HB PRO 43 16.851 18.293 -14.708 294 HG2 PRO 43 1HG PRO 43 15.664 15.674 -13.877 295 HG3 PRO 43 2HG PRO 43 17.313 16.280 -13.640 296 HD2 PRO 43 1HD PRO 43 15.446 16.331 -11.679 297 HD3 PRO 43 2HD PRO 43 16.714 17.565 -11.823 298 H SER 44 H SER 44 12.867 17.180 -12.956 299 HA SER 44 HA SER 44 11.213 17.087 -15.383 300 HB2 SER 44 1HB SER 44 10.553 14.776 -14.869 301 HB3 SER 44 2HB SER 44 12.294 14.890 -15.127 302 HG SER 44 HG SER 44 12.476 15.010 -12.795 303 H SER 45 H SER 45 9.292 17.957 -15.027 304 HA SER 45 HA SER 45 8.122 17.760 -12.332 305 HB2 SER 45 1HB SER 45 8.860 20.010 -12.442 306 HB3 SER 45 2HB SER 45 8.323 20.187 -14.113 307 HG SER 45 HG SER 45 6.798 21.167 -12.855 308 H GLY 46 H GLY 46 6.100 17.005 -12.280 309 HA2 GLY 46 1HA GLY 46 4.820 16.178 -14.700 310 HA3 GLY 46 2HA GLY 46 4.174 16.017 -13.074 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -13.884 -22.344 11.724 2 HA2 GLY 1 1HA GLY 1 -11.695 -22.014 12.862 3 HA3 GLY 1 2HA GLY 1 -11.107 -23.348 11.880 4 H SER 2 H SER 2 -12.181 -20.005 11.835 5 HA SER 2 HA SER 2 -10.656 -19.630 9.350 6 HB2 SER 2 1HB SER 2 -13.312 -18.305 9.940 7 HB3 SER 2 2HB SER 2 -12.347 -18.121 8.476 8 HG SER 2 HG SER 2 -12.820 -20.184 7.896 9 H SER 3 H SER 3 -9.910 -17.429 9.010 10 HA SER 3 HA SER 3 -9.378 -16.089 11.569 11 HB2 SER 3 1HB SER 3 -7.483 -16.922 10.035 12 HB3 SER 3 2HB SER 3 -7.907 -15.565 8.992 13 HG SER 3 HG SER 3 -6.403 -15.547 11.178 14 H GLY 4 H GLY 4 -9.319 -13.737 11.602 15 HA2 GLY 4 1HA GLY 4 -10.345 -12.132 9.526 16 HA3 GLY 4 2HA GLY 4 -11.662 -12.577 10.601 17 H SER 5 H SER 5 -10.751 -9.931 10.152 18 HA SER 5 HA SER 5 -9.768 -9.273 12.849 19 HB2 SER 5 1HB SER 5 -7.994 -8.873 11.184 20 HB3 SER 5 2HB SER 5 -9.082 -7.817 10.283 21 HG SER 5 HG SER 5 -7.768 -7.382 12.706 22 H SER 6 H SER 6 -10.498 -7.252 13.713 23 HA SER 6 HA SER 6 -12.942 -6.225 12.426 24 HB2 SER 6 1HB SER 6 -12.472 -7.116 15.237 25 HB3 SER 6 2HB SER 6 -13.561 -5.756 14.966 26 HG SER 6 HG SER 6 -14.934 -7.353 14.691 27 H GLY 7 H GLY 7 -12.834 -4.136 11.957 28 HA2 GLY 7 1HA GLY 7 -11.435 -2.316 13.768 29 HA3 GLY 7 2HA GLY 7 -10.857 -2.396 12.110 30 H THR 8 H THR 8 -12.623 -2.093 10.420 31 HA THR 8 HA THR 8 -14.653 -0.176 11.337 32 HB THR 8 HB THR 8 -12.906 0.252 8.906 33 HG1 THR 8 HG1 THR 8 -11.936 0.599 11.075 34 HG21 THR 8 3HG2 THR 8 -15.354 1.530 9.940 35 HG22 THR 8 1HG2 THR 8 -14.723 1.453 8.295 36 HG23 THR 8 2HG2 THR 8 -14.075 2.633 9.434 37 H GLY 9 H GLY 9 -13.480 -2.059 8.548 38 HA2 GLY 9 1HA GLY 9 -15.780 -3.527 8.125 39 HA3 GLY 9 2HA GLY 9 -15.998 -2.043 7.210 40 H GLU 10 H GLU 10 -16.088 -3.966 5.578 41 HA GLU 10 HA GLU 10 -13.838 -5.337 4.743 42 HB2 GLU 10 1HB GLU 10 -16.074 -4.212 3.048 43 HB3 GLU 10 2HB GLU 10 -14.917 -5.421 2.509 44 HG2 GLU 10 1HG GLU 10 -16.471 -5.980 4.974 45 HG3 GLU 10 2HG GLU 10 -17.302 -6.077 3.422 46 H LYS 11 H LYS 11 -12.007 -4.828 3.713 47 HA LYS 11 HA LYS 11 -11.739 -2.086 2.664 48 HB2 LYS 11 1HB LYS 11 -9.627 -3.840 3.932 49 HB3 LYS 11 2HB LYS 11 -9.334 -2.254 3.231 50 HG2 LYS 11 1HG LYS 11 -10.345 -1.147 4.960 51 HG3 LYS 11 2HG LYS 11 -11.389 -2.511 5.367 52 HD2 LYS 11 1HD LYS 11 -9.923 -2.650 7.106 53 HD3 LYS 11 2HD LYS 11 -9.050 -3.637 5.932 54 HE2 LYS 11 1HE LYS 11 -7.904 -1.453 5.238 55 HE3 LYS 11 2HE LYS 11 -8.544 -0.790 6.741 56 HZ1 LYS 11 3HZ LYS 11 -6.652 -1.577 7.605 57 HZ2 LYS 11 1HZ LYS 11 -6.372 -2.645 6.322 58 HZ3 LYS 11 2HZ LYS 11 -7.423 -3.083 7.573 59 HA PRO 12 HA PRO 12 -11.164 -5.003 -0.885 60 HB2 PRO 12 1HB PRO 12 -12.559 -3.483 -2.650 61 HB3 PRO 12 2HB PRO 12 -13.327 -4.662 -1.581 62 HG2 PRO 12 1HG PRO 12 -13.098 -1.693 -1.273 63 HG3 PRO 12 2HG PRO 12 -14.494 -2.744 -0.975 64 HD2 PRO 12 1HD PRO 12 -12.913 -1.823 1.021 65 HD3 PRO 12 2HD PRO 12 -13.716 -3.405 1.092 66 H TYR 13 H TYR 13 -9.943 -2.154 0.111 67 HA TYR 13 HA TYR 13 -8.440 -1.739 -2.391 68 HB2 TYR 13 1HB TYR 13 -9.093 0.337 -0.289 69 HB3 TYR 13 2HB TYR 13 -8.200 0.614 -1.780 70 HD1 TYR 13 HD2 TYR 13 -9.366 0.566 -3.952 71 HD2 TYR 13 HD1 TYR 13 -11.488 0.186 -0.283 72 HE1 TYR 13 HE2 TYR 13 -11.469 1.072 -5.123 73 HE2 TYR 13 HE1 TYR 13 -13.597 0.690 -1.444 74 HH TYR 13 HH TYR 13 -14.568 0.772 -3.546 75 H GLU 14 H GLU 14 -6.220 -1.142 -2.178 76 HA GLU 14 HA GLU 14 -4.949 -1.278 0.406 77 HB2 GLU 14 1HB GLU 14 -5.309 -3.680 -0.277 78 HB3 GLU 14 2HB GLU 14 -4.235 -3.382 -1.637 79 HG2 GLU 14 1HG GLU 14 -2.508 -2.661 0.073 80 HG3 GLU 14 2HG GLU 14 -3.578 -3.355 1.290 81 H CYS 15 H CYS 15 -3.002 -0.261 0.426 82 HA CYS 15 HA CYS 15 -2.309 1.358 -1.796 83 HB2 CYS 15 1HB CYS 15 -1.878 1.639 0.805 84 HB3 CYS 15 2HB CYS 15 -0.351 0.860 0.402 85 H SER 16 H SER 16 -1.075 0.917 -3.494 86 HA SER 16 HA SER 16 0.289 -1.630 -3.652 87 HB2 SER 16 1HB SER 16 -1.085 -0.403 -5.516 88 HB3 SER 16 2HB SER 16 0.428 0.458 -5.802 89 HG SER 16 HG SER 16 0.574 -1.293 -7.080 90 H VAL 17 H VAL 17 1.280 0.529 -1.859 91 HA VAL 17 HA VAL 17 4.012 0.710 -2.949 92 HB VAL 17 HB VAL 17 2.571 2.774 -1.280 93 HG11 VAL 17 1HG1 VAL 17 5.436 2.700 -2.222 94 HG12 VAL 17 2HG1 VAL 17 4.649 4.087 -1.465 95 HG13 VAL 17 3HG1 VAL 17 4.875 2.594 -0.553 96 HG21 VAL 17 3HG2 VAL 17 2.962 4.233 -3.227 97 HG22 VAL 17 1HG2 VAL 17 3.642 2.859 -4.099 98 HG23 VAL 17 2HG2 VAL 17 1.945 2.848 -3.622 99 H CYS 18 H CYS 18 2.502 1.436 0.193 100 HA CYS 18 HA CYS 18 4.661 0.067 1.557 101 HB2 CYS 18 1HB CYS 18 3.496 0.869 3.621 102 HB3 CYS 18 2HB CYS 18 3.940 2.157 2.506 103 H GLY 19 H GLY 19 1.251 -0.406 0.882 104 HA2 GLY 19 1HA GLY 19 0.553 -2.762 0.686 105 HA3 GLY 19 2HA GLY 19 1.450 -3.060 2.168 106 H LYS 20 H LYS 20 0.364 -0.336 3.104 107 HA LYS 20 HA LYS 20 -1.524 -1.130 4.875 108 HB2 LYS 20 1HB LYS 20 -0.436 1.233 4.364 109 HB3 LYS 20 2HB LYS 20 -1.976 1.513 3.562 110 HG2 LYS 20 1HG LYS 20 -3.181 1.162 5.586 111 HG3 LYS 20 2HG LYS 20 -1.730 0.597 6.417 112 HD2 LYS 20 1HD LYS 20 -1.852 3.345 5.223 113 HD3 LYS 20 2HD LYS 20 -2.529 3.019 6.821 114 HE2 LYS 20 1HE LYS 20 0.247 2.123 6.190 115 HE3 LYS 20 2HE LYS 20 -0.048 3.821 6.557 116 HZ1 LYS 20 3HZ LYS 20 0.246 3.124 8.657 117 HZ2 LYS 20 1HZ LYS 20 -0.121 1.510 8.304 118 HZ3 LYS 20 2HZ LYS 20 -1.368 2.628 8.544 119 H ALA 21 H ALA 21 -3.890 -0.622 4.951 120 HA ALA 21 HA ALA 21 -5.217 -0.930 2.353 121 HB1 ALA 21 3HB ALA 21 -6.730 -2.521 4.031 122 HB2 ALA 21 1HB ALA 21 -5.622 -3.078 2.777 123 HB3 ALA 21 2HB ALA 21 -5.066 -2.933 4.445 124 H PHE 22 H PHE 22 -7.350 -0.165 2.268 125 HA PHE 22 HA PHE 22 -8.389 1.169 4.657 126 HB2 PHE 22 1HB PHE 22 -8.290 2.574 1.988 127 HB3 PHE 22 2HB PHE 22 -8.743 3.252 3.548 128 HD1 PHE 22 HD1 PHE 22 -5.875 1.761 1.718 129 HD2 PHE 22 HD2 PHE 22 -7.161 4.331 4.858 130 HE1 PHE 22 HE1 PHE 22 -3.551 2.490 2.069 131 HE2 PHE 22 HE2 PHE 22 -4.840 5.065 5.213 132 HZ PHE 22 HZ PHE 22 -3.031 4.145 3.817 133 H SER 23 H SER 23 -10.664 1.968 4.283 134 HA SER 23 HA SER 23 -12.163 -0.157 3.002 135 HB2 SER 23 1HB SER 23 -14.109 1.364 3.982 136 HB3 SER 23 2HB SER 23 -13.166 0.299 5.023 137 HG SER 23 HG SER 23 -13.219 2.322 5.960 138 H HIS 24 H HIS 24 -12.104 3.402 2.857 139 HA HIS 24 HA HIS 24 -13.417 3.248 0.231 140 HB2 HIS 24 1HB HIS 24 -14.185 4.725 2.352 141 HB3 HIS 24 2HB HIS 24 -13.101 5.873 1.572 142 HD1 HIS 24 HD1 HIS 24 -14.007 7.130 -0.392 143 HD2 HIS 24 HD2 HIS 24 -16.380 3.881 0.644 144 HE1 HIS 24 HE1 HIS 24 -16.073 7.326 -1.813 145 H ARG 25 H ARG 25 -12.594 4.402 -1.532 146 HA ARG 25 HA ARG 25 -9.842 4.385 -1.876 147 HB2 ARG 25 1HB ARG 25 -12.128 5.602 -3.347 148 HB3 ARG 25 2HB ARG 25 -10.508 6.144 -3.764 149 HG2 ARG 25 1HG ARG 25 -9.846 3.880 -4.292 150 HG3 ARG 25 2HG ARG 25 -11.423 3.276 -3.779 151 HD2 ARG 25 1HD ARG 25 -12.482 4.632 -5.548 152 HD3 ARG 25 2HD ARG 25 -10.882 5.146 -6.082 153 HE ARG 25 HE ARG 25 -10.652 2.495 -6.228 154 HH11 ARG 25 1HH1 ARG 25 -13.180 4.629 -7.311 155 HH12 ARG 25 2HH1 ARG 25 -13.649 3.615 -8.635 156 HH21 ARG 25 1HH2 ARG 25 -11.260 1.150 -7.968 157 HH22 ARG 25 2HH2 ARG 25 -12.556 1.636 -9.007 158 H GLN 26 H GLN 26 -11.957 7.187 -1.272 159 HA GLN 26 HA GLN 26 -10.330 9.296 -1.334 160 HB2 GLN 26 1HB GLN 26 -12.670 9.341 -0.512 161 HB3 GLN 26 2HB GLN 26 -12.117 8.704 1.030 162 HG2 GLN 26 1HG GLN 26 -12.235 10.937 1.494 163 HG3 GLN 26 2HG GLN 26 -10.548 10.786 1.003 164 HE21 GLN 26 1HE2 GLN 26 -13.132 12.697 0.729 165 HE22 GLN 26 2HE2 GLN 26 -12.842 13.405 -0.820 166 H SER 27 H SER 27 -10.509 7.172 1.525 167 HA SER 27 HA SER 27 -8.473 8.372 2.994 168 HB2 SER 27 1HB SER 27 -10.172 6.428 3.574 169 HB3 SER 27 2HB SER 27 -8.809 5.403 3.124 170 HG SER 27 HG SER 27 -7.651 7.003 4.643 171 H LEU 28 H LEU 28 -8.271 5.561 0.815 172 HA LEU 28 HA LEU 28 -5.534 5.104 1.045 173 HB2 LEU 28 1HB LEU 28 -6.851 3.457 -0.004 174 HB3 LEU 28 2HB LEU 28 -7.486 4.605 -1.181 175 HG LEU 28 HG LEU 28 -5.299 4.695 -2.275 176 HD11 LEU 28 1HD1 LEU 28 -4.534 2.941 0.013 177 HD12 LEU 28 2HD1 LEU 28 -3.674 4.307 -0.695 178 HD13 LEU 28 3HD1 LEU 28 -3.716 2.759 -1.538 179 HD21 LEU 28 3HD2 LEU 28 -5.306 1.979 -2.616 180 HD22 LEU 28 1HD2 LEU 28 -6.344 3.120 -3.471 181 HD23 LEU 28 2HD2 LEU 28 -6.942 2.292 -2.033 182 H SER 29 H SER 29 -7.180 6.809 -1.626 183 HA SER 29 HA SER 29 -5.016 7.734 -3.003 184 HB2 SER 29 1HB SER 29 -7.536 8.078 -3.464 185 HB3 SER 29 2HB SER 29 -7.368 9.547 -2.503 186 HG SER 29 HG SER 29 -6.971 10.163 -4.565 187 H VAL 30 H VAL 30 -6.643 9.507 -0.370 188 HA VAL 30 HA VAL 30 -4.862 11.650 -0.240 189 HB VAL 30 HB VAL 30 -6.516 10.422 1.969 190 HG11 VAL 30 1HG1 VAL 30 -4.684 11.763 2.879 191 HG12 VAL 30 2HG1 VAL 30 -5.173 13.122 1.865 192 HG13 VAL 30 3HG1 VAL 30 -6.243 12.543 3.142 193 HG21 VAL 30 3HG2 VAL 30 -7.177 12.006 -0.327 194 HG22 VAL 30 1HG2 VAL 30 -8.243 11.320 0.900 195 HG23 VAL 30 2HG2 VAL 30 -7.527 12.913 1.144 196 H HIS 31 H HIS 31 -4.712 8.453 1.204 197 HA HIS 31 HA HIS 31 -2.556 8.981 2.970 198 HB2 HIS 31 1HB HIS 31 -3.676 7.055 3.566 199 HB3 HIS 31 2HB HIS 31 -3.881 6.529 1.898 200 HD1 HIS 31 HD1 HIS 31 -1.207 6.724 4.572 201 HD2 HIS 31 HD2 HIS 31 -2.036 4.709 1.035 202 HE1 HIS 31 HE1 HIS 31 0.577 4.964 4.367 203 H GLN 32 H GLN 32 -2.593 7.130 -0.084 204 HA GLN 32 HA GLN 32 -0.001 6.606 -0.498 205 HB2 GLN 32 1HB GLN 32 -2.113 7.538 -2.403 206 HB3 GLN 32 2HB GLN 32 -0.474 7.287 -2.987 207 HG2 GLN 32 1HG GLN 32 -0.527 4.993 -2.456 208 HG3 GLN 32 2HG GLN 32 -1.990 5.175 -1.489 209 HE21 GLN 32 1HE2 GLN 32 -3.833 6.232 -2.842 210 HE22 GLN 32 2HE2 GLN 32 -4.110 5.497 -4.381 211 H ARG 33 H ARG 33 -1.453 9.787 -0.646 212 HA ARG 33 HA ARG 33 0.368 11.315 -1.953 213 HB2 ARG 33 1HB ARG 33 -0.979 11.963 0.675 214 HB3 ARG 33 2HB ARG 33 -0.179 13.144 -0.354 215 HG2 ARG 33 1HG ARG 33 -1.829 12.186 -2.167 216 HG3 ARG 33 2HG ARG 33 -2.761 11.729 -0.739 217 HD2 ARG 33 1HD ARG 33 -1.732 14.510 -1.279 218 HD3 ARG 33 2HD ARG 33 -3.356 13.958 -1.686 219 HE ARG 33 HE ARG 33 -3.249 13.394 0.918 220 HH11 ARG 33 1HH1 ARG 33 -2.336 16.256 -0.841 221 HH12 ARG 33 2HH1 ARG 33 -2.687 17.333 0.470 222 HH21 ARG 33 1HH2 ARG 33 -3.715 14.801 2.652 223 HH22 ARG 33 2HH2 ARG 33 -3.470 16.504 2.457 224 H ILE 34 H ILE 34 0.643 10.201 1.407 225 HA ILE 34 HA ILE 34 2.899 11.460 2.254 226 HB ILE 34 HB ILE 34 3.342 9.628 3.726 227 HG12 ILE 34 1HG1 ILE 34 1.557 7.959 1.941 228 HG13 ILE 34 2HG1 ILE 34 3.311 7.834 2.032 229 HG21 ILE 34 1HG2 ILE 34 0.658 9.009 4.038 230 HG22 ILE 34 2HG2 ILE 34 1.522 10.353 4.781 231 HG23 ILE 34 3HG2 ILE 34 0.654 10.594 3.265 232 HD11 ILE 34 3HD1 ILE 34 2.956 7.335 4.513 233 HD12 ILE 34 1HD1 ILE 34 1.268 7.070 4.079 234 HD13 ILE 34 2HD1 ILE 34 2.532 6.082 3.346 235 H HIS 35 H HIS 35 2.719 8.722 0.042 236 HA HIS 35 HA HIS 35 5.542 8.309 -0.089 237 HB2 HIS 35 1HB HIS 35 3.535 7.469 -2.177 238 HB3 HIS 35 2HB HIS 35 5.079 6.715 -1.791 239 HD1 HIS 35 HD1 HIS 35 4.951 6.141 1.103 240 HD2 HIS 35 HD2 HIS 35 1.611 5.778 -1.341 241 HE1 HIS 35 HE1 HIS 35 3.401 4.571 2.311 242 H SER 36 H SER 36 3.254 10.314 -1.786 243 HA SER 36 HA SER 36 3.463 11.825 -3.481 244 HB2 SER 36 1HB SER 36 6.153 12.049 -2.126 245 HB3 SER 36 2HB SER 36 5.651 13.128 -3.428 246 HG SER 36 HG SER 36 3.757 13.561 -2.065 247 H GLY 37 H GLY 37 3.841 9.197 -4.322 248 HA2 GLY 37 1HA GLY 37 6.027 8.404 -5.686 249 HA3 GLY 37 2HA GLY 37 4.407 8.210 -6.340 250 H LYS 38 H LYS 38 3.587 10.561 -7.143 251 HA LYS 38 HA LYS 38 5.051 11.074 -9.485 252 HB2 LYS 38 1HB LYS 38 3.503 12.932 -9.837 253 HB3 LYS 38 2HB LYS 38 2.642 11.496 -9.298 254 HG2 LYS 38 1HG LYS 38 1.643 13.057 -7.985 255 HG3 LYS 38 2HG LYS 38 2.983 12.605 -6.929 256 HD2 LYS 38 1HD LYS 38 4.273 14.516 -7.742 257 HD3 LYS 38 2HD LYS 38 2.946 14.961 -8.818 258 HE2 LYS 38 1HE LYS 38 1.514 15.440 -6.969 259 HE3 LYS 38 2HE LYS 38 2.669 14.758 -5.825 260 HZ1 LYS 38 3HZ LYS 38 3.370 16.845 -5.587 261 HZ2 LYS 38 1HZ LYS 38 2.575 17.384 -6.979 262 HZ3 LYS 38 2HZ LYS 38 4.104 16.672 -7.101 263 H LYS 39 H LYS 39 5.763 13.352 -10.108 264 HA LYS 39 HA LYS 39 6.740 15.093 -8.080 265 HB2 LYS 39 1HB LYS 39 8.335 13.078 -8.035 266 HB3 LYS 39 2HB LYS 39 8.904 13.651 -9.597 267 HG2 LYS 39 1HG LYS 39 10.413 14.671 -8.239 268 HG3 LYS 39 2HG LYS 39 9.167 15.921 -8.282 269 HD2 LYS 39 1HD LYS 39 8.421 15.431 -6.141 270 HD3 LYS 39 2HD LYS 39 9.098 13.801 -6.171 271 HE2 LYS 39 1HE LYS 39 10.404 15.189 -4.691 272 HE3 LYS 39 2HE LYS 39 11.364 14.778 -6.111 273 HZ1 LYS 39 3HZ LYS 39 9.949 17.186 -6.552 274 HZ2 LYS 39 1HZ LYS 39 11.619 16.916 -6.566 275 HZ3 LYS 39 2HZ LYS 39 10.838 17.303 -5.117 276 HA PRO 40 HA PRO 40 6.365 17.632 -11.699 277 HB2 PRO 40 1HB PRO 40 7.143 19.957 -10.532 278 HB3 PRO 40 2HB PRO 40 5.544 19.245 -10.284 279 HG2 PRO 40 1HG PRO 40 7.965 19.123 -8.527 280 HG3 PRO 40 2HG PRO 40 6.270 19.390 -8.080 281 HD2 PRO 40 1HD PRO 40 7.487 16.986 -7.810 282 HD3 PRO 40 2HD PRO 40 5.759 17.145 -8.182 283 H SER 41 H SER 41 9.233 18.006 -9.614 284 HA SER 41 HA SER 41 10.849 18.965 -11.796 285 HB2 SER 41 1HB SER 41 11.341 19.825 -9.606 286 HB3 SER 41 2HB SER 41 11.516 18.198 -8.947 287 HG SER 41 HG SER 41 13.175 19.346 -10.946 288 H GLY 42 H GLY 42 11.294 17.532 -13.364 289 HA2 GLY 42 1HA GLY 42 12.300 14.879 -12.539 290 HA3 GLY 42 2HA GLY 42 11.417 15.166 -14.031 291 HA PRO 43 HA PRO 43 15.323 15.435 -16.041 292 HB2 PRO 43 1HB PRO 43 14.508 16.633 -18.338 293 HB3 PRO 43 2HB PRO 43 14.187 14.933 -17.974 294 HG2 PRO 43 1HG PRO 43 12.384 17.305 -17.687 295 HG3 PRO 43 2HG PRO 43 12.016 15.691 -18.322 296 HD2 PRO 43 1HD PRO 43 11.359 16.452 -15.808 297 HD3 PRO 43 2HD PRO 43 11.786 14.778 -16.218 298 H SER 44 H SER 44 16.949 16.839 -15.847 299 HA SER 44 HA SER 44 16.319 19.664 -15.402 300 HB2 SER 44 1HB SER 44 17.691 18.499 -13.704 301 HB3 SER 44 2HB SER 44 18.911 18.169 -14.934 302 HG SER 44 HG SER 44 18.038 20.778 -14.250 303 H SER 45 H SER 45 17.414 21.329 -16.494 304 HA SER 45 HA SER 45 18.220 20.598 -19.199 305 HB2 SER 45 1HB SER 45 18.063 23.046 -19.639 306 HB3 SER 45 2HB SER 45 16.564 22.364 -19.008 307 HG SER 45 HG SER 45 18.508 23.595 -17.359 308 H GLY 46 H GLY 46 20.077 19.861 -17.271 309 HA2 GLY 46 1HA GLY 46 22.425 19.885 -17.358 310 HA3 GLY 46 2HA GLY 46 22.358 21.457 -18.141 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -2.012 -15.283 24.172 2 HA2 GLY 1 1HA GLY 1 -3.586 -16.325 22.821 3 HA3 GLY 1 2HA GLY 1 -4.086 -17.291 24.202 4 H SER 2 H SER 2 -5.162 -15.093 22.068 5 HA SER 2 HA SER 2 -7.484 -14.479 23.628 6 HB2 SER 2 1HB SER 2 -5.950 -12.745 24.474 7 HB3 SER 2 2HB SER 2 -5.672 -12.187 22.824 8 HG SER 2 HG SER 2 -7.624 -11.495 24.486 9 H SER 3 H SER 3 -9.211 -13.786 22.373 10 HA SER 3 HA SER 3 -8.722 -13.853 19.470 11 HB2 SER 3 1HB SER 3 -11.059 -14.737 21.148 12 HB3 SER 3 2HB SER 3 -11.252 -14.404 19.428 13 HG SER 3 HG SER 3 -9.285 -16.169 20.446 14 H GLY 4 H GLY 4 -10.866 -12.365 21.901 15 HA2 GLY 4 1HA GLY 4 -11.659 -10.206 22.047 16 HA3 GLY 4 2HA GLY 4 -10.558 -9.769 20.749 17 H SER 5 H SER 5 -12.322 -8.406 20.006 18 HA SER 5 HA SER 5 -14.182 -9.930 18.317 19 HB2 SER 5 1HB SER 5 -14.839 -7.678 20.204 20 HB3 SER 5 2HB SER 5 -15.846 -8.006 18.794 21 HG SER 5 HG SER 5 -15.695 -10.303 19.752 22 H SER 6 H SER 6 -13.831 -9.432 16.268 23 HA SER 6 HA SER 6 -13.428 -6.653 15.494 24 HB2 SER 6 1HB SER 6 -11.444 -8.858 14.925 25 HB3 SER 6 2HB SER 6 -11.499 -7.360 13.996 26 HG SER 6 HG SER 6 -11.425 -7.144 16.772 27 H GLY 7 H GLY 7 -13.938 -6.217 13.317 28 HA2 GLY 7 1HA GLY 7 -15.585 -8.318 12.082 29 HA3 GLY 7 2HA GLY 7 -15.744 -6.592 11.791 30 H THR 8 H THR 8 -15.137 -9.171 10.146 31 HA THR 8 HA THR 8 -12.661 -9.140 8.994 32 HB THR 8 HB THR 8 -13.914 -9.748 6.806 33 HG1 THR 8 HG1 THR 8 -15.920 -8.736 7.893 34 HG21 THR 8 3HG2 THR 8 -14.235 -11.332 9.355 35 HG22 THR 8 1HG2 THR 8 -12.911 -11.437 8.195 36 HG23 THR 8 2HG2 THR 8 -14.527 -11.979 7.741 37 H GLY 9 H GLY 9 -15.209 -6.794 8.613 38 HA2 GLY 9 1HA GLY 9 -15.396 -4.949 7.212 39 HA3 GLY 9 2HA GLY 9 -13.796 -4.642 7.871 40 H GLU 10 H GLU 10 -15.527 -6.189 5.206 41 HA GLU 10 HA GLU 10 -13.398 -6.937 3.612 42 HB2 GLU 10 1HB GLU 10 -15.614 -7.579 2.990 43 HB3 GLU 10 2HB GLU 10 -16.131 -5.903 2.863 44 HG2 GLU 10 1HG GLU 10 -15.873 -6.714 0.662 45 HG3 GLU 10 2HG GLU 10 -14.509 -5.641 0.974 46 H LYS 11 H LYS 11 -11.745 -5.801 2.870 47 HA LYS 11 HA LYS 11 -12.160 -2.955 2.230 48 HB2 LYS 11 1HB LYS 11 -9.788 -4.428 3.341 49 HB3 LYS 11 2HB LYS 11 -9.586 -2.887 2.518 50 HG2 LYS 11 1HG LYS 11 -11.236 -1.916 4.138 51 HG3 LYS 11 2HG LYS 11 -11.150 -3.439 5.026 52 HD2 LYS 11 1HD LYS 11 -8.621 -2.010 4.345 53 HD3 LYS 11 2HD LYS 11 -9.611 -1.413 5.678 54 HE2 LYS 11 1HE LYS 11 -8.843 -4.306 5.484 55 HE3 LYS 11 2HE LYS 11 -7.749 -3.118 6.191 56 HZ1 LYS 11 3HZ LYS 11 -9.967 -4.379 7.373 57 HZ2 LYS 11 1HZ LYS 11 -10.257 -2.713 7.324 58 HZ3 LYS 11 2HZ LYS 11 -8.864 -3.308 8.077 59 HA PRO 12 HA PRO 12 -11.402 -4.782 -1.868 60 HB2 PRO 12 1HB PRO 12 -12.622 -2.766 -3.216 61 HB3 PRO 12 2HB PRO 12 -13.510 -4.109 -2.486 62 HG2 PRO 12 1HG PRO 12 -13.074 -1.337 -1.444 63 HG3 PRO 12 2HG PRO 12 -14.553 -2.315 -1.436 64 HD2 PRO 12 1HD PRO 12 -12.974 -2.045 0.747 65 HD3 PRO 12 2HD PRO 12 -13.893 -3.526 0.410 66 H TYR 13 H TYR 13 -10.208 -2.125 -0.233 67 HA TYR 13 HA TYR 13 -8.440 -1.418 -2.484 68 HB2 TYR 13 1HB TYR 13 -9.124 0.403 -0.177 69 HB3 TYR 13 2HB TYR 13 -8.304 0.824 -1.677 70 HD1 TYR 13 HD2 TYR 13 -9.602 0.870 -3.811 71 HD2 TYR 13 HD1 TYR 13 -11.494 0.391 -0.031 72 HE1 TYR 13 HE2 TYR 13 -11.757 1.499 -4.816 73 HE2 TYR 13 HE1 TYR 13 -13.654 1.017 -1.026 74 HH TYR 13 HH TYR 13 -14.682 0.946 -3.388 75 H GLU 14 H GLU 14 -6.248 -1.178 -2.073 76 HA GLU 14 HA GLU 14 -5.144 -1.367 0.554 77 HB2 GLU 14 1HB GLU 14 -5.712 -3.698 0.351 78 HB3 GLU 14 2HB GLU 14 -5.003 -3.781 -1.255 79 HG2 GLU 14 1HG GLU 14 -2.805 -3.141 -0.106 80 HG3 GLU 14 2HG GLU 14 -3.626 -3.572 1.393 81 H CYS 15 H CYS 15 -3.345 -0.208 0.494 82 HA CYS 15 HA CYS 15 -2.212 0.771 -1.880 83 HB2 CYS 15 1HB CYS 15 -2.065 1.582 0.642 84 HB3 CYS 15 2HB CYS 15 -0.570 0.653 0.609 85 H SER 16 H SER 16 -0.194 0.359 -2.859 86 HA SER 16 HA SER 16 0.765 -2.394 -2.448 87 HB2 SER 16 1HB SER 16 -0.236 -1.690 -4.704 88 HB3 SER 16 2HB SER 16 1.232 -0.738 -4.925 89 HG SER 16 HG SER 16 0.906 -3.290 -5.426 90 H VAL 17 H VAL 17 1.854 0.908 -3.157 91 HA VAL 17 HA VAL 17 4.575 0.576 -3.204 92 HB VAL 17 HB VAL 17 4.691 2.887 -2.125 93 HG11 VAL 17 1HG1 VAL 17 4.458 3.763 -4.179 94 HG12 VAL 17 2HG1 VAL 17 4.164 2.094 -4.670 95 HG13 VAL 17 3HG1 VAL 17 2.805 3.174 -4.354 96 HG21 VAL 17 3HG2 VAL 17 2.901 3.723 -1.109 97 HG22 VAL 17 1HG2 VAL 17 1.947 3.533 -2.580 98 HG23 VAL 17 2HG2 VAL 17 2.044 2.212 -1.416 99 H CYS 18 H CYS 18 2.455 0.670 -0.394 100 HA CYS 18 HA CYS 18 4.763 -0.058 1.288 101 HB2 CYS 18 1HB CYS 18 3.530 0.982 3.187 102 HB3 CYS 18 2HB CYS 18 3.984 2.135 1.936 103 H GLY 19 H GLY 19 1.357 -0.577 0.575 104 HA2 GLY 19 1HA GLY 19 0.555 -2.878 0.596 105 HA3 GLY 19 2HA GLY 19 1.541 -3.141 2.027 106 H LYS 20 H LYS 20 0.482 -0.251 2.722 107 HA LYS 20 HA LYS 20 -1.219 -0.872 4.747 108 HB2 LYS 20 1HB LYS 20 -0.239 1.426 3.923 109 HB3 LYS 20 2HB LYS 20 -1.810 1.589 3.150 110 HG2 LYS 20 1HG LYS 20 -2.918 1.809 5.126 111 HG3 LYS 20 2HG LYS 20 -1.748 0.836 6.019 112 HD2 LYS 20 1HD LYS 20 -0.134 2.824 5.511 113 HD3 LYS 20 2HD LYS 20 -1.631 3.725 5.259 114 HE2 LYS 20 1HE LYS 20 -1.241 2.080 7.730 115 HE3 LYS 20 2HE LYS 20 -0.542 3.694 7.613 116 HZ1 LYS 20 3HZ LYS 20 -2.505 4.544 8.122 117 HZ2 LYS 20 1HZ LYS 20 -3.172 2.994 8.245 118 HZ3 LYS 20 2HZ LYS 20 -3.210 3.816 6.767 119 H ALA 21 H ALA 21 -3.601 -0.296 4.929 120 HA ALA 21 HA ALA 21 -5.102 -1.042 2.520 121 HB1 ALA 21 3HB ALA 21 -6.022 -2.897 3.389 122 HB2 ALA 21 1HB ALA 21 -4.618 -2.880 4.457 123 HB3 ALA 21 2HB ALA 21 -6.152 -2.201 5.004 124 H PHE 22 H PHE 22 -7.372 -0.473 2.606 125 HA PHE 22 HA PHE 22 -8.252 1.288 4.731 126 HB2 PHE 22 1HB PHE 22 -8.120 2.342 1.901 127 HB3 PHE 22 2HB PHE 22 -8.640 3.215 3.339 128 HD1 PHE 22 HD1 PHE 22 -5.739 1.771 1.592 129 HD2 PHE 22 HD2 PHE 22 -7.071 4.234 4.798 130 HE1 PHE 22 HE1 PHE 22 -3.436 2.568 1.932 131 HE2 PHE 22 HE2 PHE 22 -4.771 5.037 5.142 132 HZ PHE 22 HZ PHE 22 -2.950 4.204 3.708 133 H SER 23 H SER 23 -10.519 2.127 4.228 134 HA SER 23 HA SER 23 -12.035 -0.079 3.024 135 HB2 SER 23 1HB SER 23 -12.755 0.203 5.243 136 HB3 SER 23 2HB SER 23 -12.693 1.962 5.136 137 HG SER 23 HG SER 23 -14.780 1.658 4.853 138 H HIS 24 H HIS 24 -11.739 3.439 3.036 139 HA HIS 24 HA HIS 24 -13.503 3.553 0.683 140 HB2 HIS 24 1HB HIS 24 -13.311 6.131 1.338 141 HB3 HIS 24 2HB HIS 24 -14.490 5.061 2.092 142 HD1 HIS 24 HD1 HIS 24 -12.192 7.557 3.000 143 HD2 HIS 24 HD2 HIS 24 -13.143 3.831 4.572 144 HE1 HIS 24 HE1 HIS 24 -11.389 7.608 5.383 145 H ARG 25 H ARG 25 -12.744 4.266 -1.229 146 HA ARG 25 HA ARG 25 -10.076 4.216 -1.877 147 HB2 ARG 25 1HB ARG 25 -12.106 4.251 -3.431 148 HB3 ARG 25 2HB ARG 25 -12.041 6.004 -3.299 149 HG2 ARG 25 1HG ARG 25 -9.787 6.003 -4.221 150 HG3 ARG 25 2HG ARG 25 -9.827 4.242 -4.329 151 HD2 ARG 25 1HD ARG 25 -11.780 6.063 -5.724 152 HD3 ARG 25 2HD ARG 25 -10.314 5.433 -6.474 153 HE ARG 25 HE ARG 25 -11.520 3.189 -5.644 154 HH11 ARG 25 1HH1 ARG 25 -12.705 5.945 -7.410 155 HH12 ARG 25 2HH1 ARG 25 -13.893 5.037 -8.286 156 HH21 ARG 25 1HH2 ARG 25 -13.079 1.983 -6.791 157 HH22 ARG 25 2HH2 ARG 25 -14.105 2.784 -7.933 158 H GLN 26 H GLN 26 -12.013 6.980 -0.847 159 HA GLN 26 HA GLN 26 -10.249 9.047 -1.363 160 HB2 GLN 26 1HB GLN 26 -12.389 9.666 -0.626 161 HB3 GLN 26 2HB GLN 26 -12.301 8.629 0.792 162 HG2 GLN 26 1HG GLN 26 -10.352 10.854 0.571 163 HG3 GLN 26 2HG GLN 26 -12.028 11.248 0.949 164 HE21 GLN 26 1HE2 GLN 26 -9.341 11.152 2.449 165 HE22 GLN 26 2HE2 GLN 26 -9.748 10.367 3.933 166 H SER 27 H SER 27 -10.422 6.956 1.499 167 HA SER 27 HA SER 27 -8.431 8.176 3.017 168 HB2 SER 27 1HB SER 27 -10.075 6.152 3.514 169 HB3 SER 27 2HB SER 27 -8.660 5.198 3.069 170 HG SER 27 HG SER 27 -9.041 6.002 5.391 171 H LEU 28 H LEU 28 -8.152 5.502 0.688 172 HA LEU 28 HA LEU 28 -5.375 5.145 0.942 173 HB2 LEU 28 1HB LEU 28 -6.718 3.447 -0.073 174 HB3 LEU 28 2HB LEU 28 -7.265 4.558 -1.327 175 HG LEU 28 HG LEU 28 -4.960 4.617 -2.226 176 HD11 LEU 28 1HD1 LEU 28 -3.692 2.425 -1.289 177 HD12 LEU 28 2HD1 LEU 28 -4.467 3.008 0.184 178 HD13 LEU 28 3HD1 LEU 28 -3.385 4.066 -0.721 179 HD21 LEU 28 3HD2 LEU 28 -6.400 3.148 -3.344 180 HD22 LEU 28 1HD2 LEU 28 -6.421 2.004 -2.002 181 HD23 LEU 28 2HD2 LEU 28 -4.970 2.178 -2.990 182 H SER 29 H SER 29 -7.117 6.668 -1.777 183 HA SER 29 HA SER 29 -5.079 7.706 -3.206 184 HB2 SER 29 1HB SER 29 -7.538 7.986 -3.681 185 HB3 SER 29 2HB SER 29 -7.545 9.325 -2.534 186 HG SER 29 HG SER 29 -5.552 9.815 -4.131 187 H VAL 30 H VAL 30 -6.585 9.378 -0.441 188 HA VAL 30 HA VAL 30 -4.841 11.574 -0.407 189 HB VAL 30 HB VAL 30 -6.420 10.328 1.845 190 HG11 VAL 30 1HG1 VAL 30 -4.822 12.870 1.723 191 HG12 VAL 30 2HG1 VAL 30 -6.144 12.642 2.870 192 HG13 VAL 30 3HG1 VAL 30 -4.739 11.576 2.917 193 HG21 VAL 30 3HG2 VAL 30 -7.174 11.869 -0.415 194 HG22 VAL 30 1HG2 VAL 30 -8.183 11.306 0.918 195 HG23 VAL 30 2HG2 VAL 30 -7.380 12.873 1.020 196 H HIS 31 H HIS 31 -4.702 8.462 1.277 197 HA HIS 31 HA HIS 31 -2.487 8.973 2.900 198 HB2 HIS 31 1HB HIS 31 -3.482 6.999 3.500 199 HB3 HIS 31 2HB HIS 31 -3.811 6.533 1.834 200 HD1 HIS 31 HD1 HIS 31 -0.931 6.665 4.291 201 HD2 HIS 31 HD2 HIS 31 -2.042 4.742 0.780 202 HE1 HIS 31 HE1 HIS 31 0.837 4.921 3.891 203 H GLN 32 H GLN 32 -2.587 7.407 -0.302 204 HA GLN 32 HA GLN 32 0.012 6.846 -0.760 205 HB2 GLN 32 1HB GLN 32 -2.133 7.903 -2.551 206 HB3 GLN 32 2HB GLN 32 -0.500 7.751 -3.186 207 HG2 GLN 32 1HG GLN 32 -0.540 5.355 -2.463 208 HG3 GLN 32 2HG GLN 32 -2.249 5.568 -2.089 209 HE21 GLN 32 1HE2 GLN 32 -1.425 3.687 -3.899 210 HE22 GLN 32 2HE2 GLN 32 -1.925 4.149 -5.486 211 H ARG 33 H ARG 33 -1.419 10.042 -0.678 212 HA ARG 33 HA ARG 33 0.502 11.595 -1.870 213 HB2 ARG 33 1HB ARG 33 -1.052 12.200 0.652 214 HB3 ARG 33 2HB ARG 33 -0.180 13.394 -0.299 215 HG2 ARG 33 1HG ARG 33 -1.634 12.782 -2.241 216 HG3 ARG 33 2HG ARG 33 -2.586 11.796 -1.129 217 HD2 ARG 33 1HD ARG 33 -3.687 13.890 -1.301 218 HD3 ARG 33 2HD ARG 33 -2.891 13.862 0.271 219 HE ARG 33 HE ARG 33 -1.067 15.074 -1.304 220 HH11 ARG 33 1HH1 ARG 33 -4.461 15.617 -0.748 221 HH12 ARG 33 2HH1 ARG 33 -4.369 17.322 -1.043 222 HH21 ARG 33 1HH2 ARG 33 -0.934 17.317 -1.695 223 HH22 ARG 33 2HH2 ARG 33 -2.363 18.288 -1.583 224 H ILE 34 H ILE 34 0.498 10.341 1.446 225 HA ILE 34 HA ILE 34 2.679 11.590 2.520 226 HB ILE 34 HB ILE 34 2.906 9.813 4.044 227 HG12 ILE 34 1HG1 ILE 34 1.536 8.006 2.041 228 HG13 ILE 34 2HG1 ILE 34 3.269 8.039 2.346 229 HG21 ILE 34 1HG2 ILE 34 0.881 10.174 4.872 230 HG22 ILE 34 2HG2 ILE 34 0.346 10.737 3.289 231 HG23 ILE 34 3HG2 ILE 34 0.185 9.034 3.721 232 HD11 ILE 34 3HD1 ILE 34 2.666 7.500 4.766 233 HD12 ILE 34 1HD1 ILE 34 1.069 7.093 4.139 234 HD13 ILE 34 2HD1 ILE 34 2.490 6.219 3.566 235 H HIS 35 H HIS 35 2.637 9.059 0.108 236 HA HIS 35 HA HIS 35 5.452 8.519 0.256 237 HB2 HIS 35 1HB HIS 35 3.610 7.851 -2.040 238 HB3 HIS 35 2HB HIS 35 5.109 7.045 -1.589 239 HD1 HIS 35 HD1 HIS 35 4.684 6.415 1.317 240 HD2 HIS 35 HD2 HIS 35 1.676 6.037 -1.523 241 HE1 HIS 35 HE1 HIS 35 3.043 4.778 2.291 242 H SER 36 H SER 36 3.392 10.691 -1.520 243 HA SER 36 HA SER 36 3.830 12.411 -2.943 244 HB2 SER 36 1HB SER 36 6.695 12.095 -2.017 245 HB3 SER 36 2HB SER 36 5.996 13.515 -2.795 246 HG SER 36 HG SER 36 4.544 13.607 -0.953 247 H GLY 37 H GLY 37 3.855 9.732 -3.946 248 HA2 GLY 37 1HA GLY 37 4.065 9.251 -6.302 249 HA3 GLY 37 2HA GLY 37 5.571 10.157 -6.304 250 H LYS 38 H LYS 38 7.232 8.855 -6.653 251 HA LYS 38 HA LYS 38 7.521 6.452 -5.030 252 HB2 LYS 38 1HB LYS 38 6.431 6.024 -7.393 253 HB3 LYS 38 2HB LYS 38 8.091 6.182 -7.953 254 HG2 LYS 38 1HG LYS 38 7.693 3.878 -7.624 255 HG3 LYS 38 2HG LYS 38 8.714 4.410 -6.286 256 HD2 LYS 38 1HD LYS 38 6.689 4.615 -4.877 257 HD3 LYS 38 2HD LYS 38 5.729 3.973 -6.211 258 HE2 LYS 38 1HE LYS 38 8.057 2.513 -4.979 259 HE3 LYS 38 2HE LYS 38 6.388 2.301 -4.453 260 HZ1 LYS 38 3HZ LYS 38 6.987 1.998 -7.303 261 HZ2 LYS 38 1HZ LYS 38 5.828 1.211 -6.354 262 HZ3 LYS 38 2HZ LYS 38 7.452 0.752 -6.258 263 H LYS 39 H LYS 39 9.703 5.607 -5.025 264 HA LYS 39 HA LYS 39 11.672 7.714 -5.583 265 HB2 LYS 39 1HB LYS 39 11.890 5.327 -3.739 266 HB3 LYS 39 2HB LYS 39 13.090 6.598 -3.925 267 HG2 LYS 39 1HG LYS 39 10.280 7.100 -2.980 268 HG3 LYS 39 2HG LYS 39 11.636 6.780 -1.897 269 HD2 LYS 39 1HD LYS 39 12.630 8.799 -2.324 270 HD3 LYS 39 2HD LYS 39 11.945 8.915 -3.947 271 HE2 LYS 39 1HE LYS 39 10.406 9.246 -1.373 272 HE3 LYS 39 2HE LYS 39 10.981 10.565 -2.390 273 HZ1 LYS 39 3HZ LYS 39 9.617 9.637 -4.207 274 HZ2 LYS 39 1HZ LYS 39 8.694 10.140 -2.880 275 HZ3 LYS 39 2HZ LYS 39 8.989 8.493 -3.131 276 HA PRO 40 HA PRO 40 13.062 5.084 -8.912 277 HB2 PRO 40 1HB PRO 40 15.037 6.747 -9.751 278 HB3 PRO 40 2HB PRO 40 13.331 7.015 -10.127 279 HG2 PRO 40 1HG PRO 40 15.023 8.272 -8.001 280 HG3 PRO 40 2HG PRO 40 13.838 9.029 -9.081 281 HD2 PRO 40 1HD PRO 40 13.271 8.397 -6.510 282 HD3 PRO 40 2HD PRO 40 12.047 8.354 -7.796 283 H SER 41 H SER 41 13.869 3.453 -7.459 284 HA SER 41 HA SER 41 16.257 3.624 -6.016 285 HB2 SER 41 1HB SER 41 14.679 1.331 -7.144 286 HB3 SER 41 2HB SER 41 16.239 1.039 -6.375 287 HG SER 41 HG SER 41 15.443 1.924 -4.482 288 H GLY 42 H GLY 42 17.910 4.570 -7.176 289 HA2 GLY 42 1HA GLY 42 18.696 3.494 -9.750 290 HA3 GLY 42 2HA GLY 42 19.468 4.818 -8.890 291 HA PRO 43 HA PRO 43 22.072 0.915 -8.652 292 HB2 PRO 43 1HB PRO 43 24.264 1.947 -9.879 293 HB3 PRO 43 2HB PRO 43 22.954 1.152 -10.760 294 HG2 PRO 43 1HG PRO 43 23.467 4.074 -10.360 295 HG3 PRO 43 2HG PRO 43 22.968 3.216 -11.830 296 HD2 PRO 43 1HD PRO 43 21.221 4.581 -10.275 297 HD3 PRO 43 2HD PRO 43 20.760 3.123 -11.176 298 H SER 44 H SER 44 22.405 4.269 -7.864 299 HA SER 44 HA SER 44 24.310 3.558 -5.730 300 HB2 SER 44 1HB SER 44 25.343 4.962 -7.523 301 HB3 SER 44 2HB SER 44 24.166 6.224 -7.158 302 HG SER 44 HG SER 44 25.700 5.176 -5.066 303 H SER 45 H SER 45 24.129 4.776 -3.766 304 HA SER 45 HA SER 45 21.389 5.743 -3.310 305 HB2 SER 45 1HB SER 45 21.737 5.181 -0.954 306 HB3 SER 45 2HB SER 45 22.073 3.780 -1.971 307 HG SER 45 HG SER 45 23.670 4.168 -0.327 308 H GLY 46 H GLY 46 21.173 7.872 -3.206 309 HA2 GLY 46 1HA GLY 46 23.449 9.458 -2.188 310 HA3 GLY 46 2HA GLY 46 22.305 10.036 -3.391 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -5.037 -13.566 16.794 2 HA2 GLY 1 1HA GLY 1 -6.593 -11.908 18.152 3 HA3 GLY 1 2HA GLY 1 -7.452 -11.935 16.619 4 H SER 2 H SER 2 -9.274 -12.823 17.703 5 HA SER 2 HA SER 2 -8.946 -15.633 18.522 6 HB2 SER 2 1HB SER 2 -10.864 -13.486 19.381 7 HB3 SER 2 2HB SER 2 -11.294 -15.186 19.565 8 HG SER 2 HG SER 2 -9.326 -15.430 20.765 9 H SER 3 H SER 3 -11.062 -13.417 16.735 10 HA SER 3 HA SER 3 -12.521 -15.630 15.556 11 HB2 SER 3 1HB SER 3 -12.773 -12.642 15.469 12 HB3 SER 3 2HB SER 3 -13.594 -13.626 14.257 13 HG SER 3 HG SER 3 -14.020 -14.682 16.673 14 H GLY 4 H GLY 4 -12.901 -15.521 13.119 15 HA2 GLY 4 1HA GLY 4 -10.308 -15.028 11.787 16 HA3 GLY 4 2HA GLY 4 -11.356 -16.383 11.396 17 H SER 5 H SER 5 -13.822 -15.009 11.369 18 HA SER 5 HA SER 5 -13.907 -14.113 8.726 19 HB2 SER 5 1HB SER 5 -16.189 -13.580 9.114 20 HB3 SER 5 2HB SER 5 -15.840 -14.947 10.172 21 HG SER 5 HG SER 5 -15.292 -13.006 11.686 22 H SER 6 H SER 6 -14.731 -11.923 8.042 23 HA SER 6 HA SER 6 -12.848 -9.955 8.606 24 HB2 SER 6 1HB SER 6 -15.509 -9.970 7.246 25 HB3 SER 6 2HB SER 6 -14.762 -8.415 7.616 26 HG SER 6 HG SER 6 -14.157 -10.180 5.666 27 H GLY 7 H GLY 7 -13.284 -7.760 9.497 28 HA2 GLY 7 1HA GLY 7 -14.604 -8.045 12.092 29 HA3 GLY 7 2HA GLY 7 -13.475 -6.778 11.635 30 H THR 8 H THR 8 -14.244 -5.094 10.192 31 HA THR 8 HA THR 8 -17.169 -4.773 10.224 32 HB THR 8 HB THR 8 -16.917 -2.391 10.738 33 HG1 THR 8 HG1 THR 8 -14.153 -3.053 10.949 34 HG21 THR 8 3HG2 THR 8 -15.369 -3.874 12.840 35 HG22 THR 8 1HG2 THR 8 -17.069 -4.231 12.537 36 HG23 THR 8 2HG2 THR 8 -16.584 -2.613 13.042 37 H GLY 9 H GLY 9 -17.438 -5.207 8.057 38 HA2 GLY 9 1HA GLY 9 -17.625 -4.625 5.838 39 HA3 GLY 9 2HA GLY 9 -16.929 -3.065 6.251 40 H GLU 10 H GLU 10 -16.486 -5.135 4.042 41 HA GLU 10 HA GLU 10 -13.782 -6.016 4.390 42 HB2 GLU 10 1HB GLU 10 -13.940 -6.889 2.183 43 HB3 GLU 10 2HB GLU 10 -15.508 -7.143 2.936 44 HG2 GLU 10 1HG GLU 10 -16.156 -4.917 1.806 45 HG3 GLU 10 2HG GLU 10 -14.737 -5.202 0.800 46 H LYS 11 H LYS 11 -12.093 -5.434 2.719 47 HA LYS 11 HA LYS 11 -12.202 -2.563 2.075 48 HB2 LYS 11 1HB LYS 11 -9.704 -3.987 2.986 49 HB3 LYS 11 2HB LYS 11 -9.944 -2.257 2.779 50 HG2 LYS 11 1HG LYS 11 -11.475 -2.218 4.660 51 HG3 LYS 11 2HG LYS 11 -11.310 -3.966 4.849 52 HD2 LYS 11 1HD LYS 11 -9.796 -3.253 6.410 53 HD3 LYS 11 2HD LYS 11 -8.746 -3.360 4.995 54 HE2 LYS 11 1HE LYS 11 -8.192 -1.270 5.726 55 HE3 LYS 11 2HE LYS 11 -9.536 -0.862 4.660 56 HZ1 LYS 11 3HZ LYS 11 -10.341 -1.480 7.353 57 HZ2 LYS 11 1HZ LYS 11 -10.769 -0.172 6.369 58 HZ3 LYS 11 2HZ LYS 11 -9.326 -0.130 7.250 59 HA PRO 12 HA PRO 12 -11.317 -4.752 -1.831 60 HB2 PRO 12 1HB PRO 12 -12.438 -2.836 -3.394 61 HB3 PRO 12 2HB PRO 12 -13.381 -4.107 -2.607 62 HG2 PRO 12 1HG PRO 12 -12.956 -1.266 -1.764 63 HG3 PRO 12 2HG PRO 12 -14.448 -2.224 -1.756 64 HD2 PRO 12 1HD PRO 12 -12.977 -1.800 0.477 65 HD3 PRO 12 2HD PRO 12 -13.900 -3.293 0.211 66 H TYR 13 H TYR 13 -10.076 -2.101 -0.304 67 HA TYR 13 HA TYR 13 -8.247 -1.521 -2.541 68 HB2 TYR 13 1HB TYR 13 -8.987 0.398 -0.327 69 HB3 TYR 13 2HB TYR 13 -8.034 0.748 -1.765 70 HD1 TYR 13 HD2 TYR 13 -9.143 0.835 -3.986 71 HD2 TYR 13 HD1 TYR 13 -11.371 0.423 -0.385 72 HE1 TYR 13 HE2 TYR 13 -11.184 1.514 -5.178 73 HE2 TYR 13 HE1 TYR 13 -13.418 1.099 -1.568 74 HH TYR 13 HH TYR 13 -14.183 2.123 -3.488 75 H GLU 14 H GLU 14 -6.079 -1.522 -2.135 76 HA GLU 14 HA GLU 14 -5.056 -1.623 0.561 77 HB2 GLU 14 1HB GLU 14 -5.795 -3.989 -0.028 78 HB3 GLU 14 2HB GLU 14 -4.507 -3.989 -1.224 79 HG2 GLU 14 1HG GLU 14 -2.838 -3.761 0.454 80 HG3 GLU 14 2HG GLU 14 -4.050 -3.464 1.700 81 H CYS 15 H CYS 15 -3.565 -0.079 0.315 82 HA CYS 15 HA CYS 15 -2.225 0.633 -2.000 83 HB2 CYS 15 1HB CYS 15 -2.344 1.719 0.421 84 HB3 CYS 15 2HB CYS 15 -0.794 0.905 0.604 85 H SER 16 H SER 16 -0.298 0.087 -2.945 86 HA SER 16 HA SER 16 0.859 -2.462 -2.066 87 HB2 SER 16 1HB SER 16 0.027 -2.379 -4.381 88 HB3 SER 16 2HB SER 16 1.110 -1.032 -4.725 89 HG SER 16 HG SER 16 1.870 -3.663 -3.974 90 H VAL 17 H VAL 17 1.871 0.722 -3.299 91 HA VAL 17 HA VAL 17 4.550 0.644 -3.172 92 HB VAL 17 HB VAL 17 4.507 3.009 -2.271 93 HG11 VAL 17 1HG1 VAL 17 3.838 3.882 -4.310 94 HG12 VAL 17 2HG1 VAL 17 4.202 2.203 -4.716 95 HG13 VAL 17 3HG1 VAL 17 2.528 2.716 -4.495 96 HG21 VAL 17 3HG2 VAL 17 1.913 3.773 -2.521 97 HG22 VAL 17 1HG2 VAL 17 1.735 2.197 -1.751 98 HG23 VAL 17 2HG2 VAL 17 2.715 3.447 -0.985 99 H CYS 18 H CYS 18 2.475 1.185 -0.330 100 HA CYS 18 HA CYS 18 4.789 0.653 1.398 101 HB2 CYS 18 1HB CYS 18 3.550 1.718 3.177 102 HB3 CYS 18 2HB CYS 18 3.520 2.766 1.762 103 H GLY 19 H GLY 19 1.403 -0.276 0.887 104 HA2 GLY 19 1HA GLY 19 0.773 -2.601 0.992 105 HA3 GLY 19 2HA GLY 19 2.014 -2.835 2.213 106 H LYS 20 H LYS 20 -0.635 -0.478 1.886 107 HA LYS 20 HA LYS 20 -1.548 -1.301 4.565 108 HB2 LYS 20 1HB LYS 20 -0.612 1.096 4.118 109 HB3 LYS 20 2HB LYS 20 -2.180 1.377 3.372 110 HG2 LYS 20 1HG LYS 20 -3.297 1.293 5.354 111 HG3 LYS 20 2HG LYS 20 -2.133 0.190 6.091 112 HD2 LYS 20 1HD LYS 20 -1.411 3.027 5.423 113 HD3 LYS 20 2HD LYS 20 -2.200 2.607 6.945 114 HE2 LYS 20 1HE LYS 20 -0.369 1.497 7.745 115 HE3 LYS 20 2HE LYS 20 0.196 1.046 6.137 116 HZ1 LYS 20 3HZ LYS 20 0.549 3.598 7.570 117 HZ2 LYS 20 1HZ LYS 20 0.641 3.546 5.881 118 HZ3 LYS 20 2HZ LYS 20 1.714 2.632 6.815 119 H ALA 21 H ALA 21 -3.965 -0.411 4.829 120 HA ALA 21 HA ALA 21 -5.517 -1.050 2.428 121 HB1 ALA 21 3HB ALA 21 -6.705 -2.236 4.795 122 HB2 ALA 21 1HB ALA 21 -6.401 -2.941 3.207 123 HB3 ALA 21 2HB ALA 21 -5.123 -2.920 4.423 124 H PHE 22 H PHE 22 -7.497 -0.042 2.298 125 HA PHE 22 HA PHE 22 -8.436 1.519 4.577 126 HB2 PHE 22 1HB PHE 22 -8.066 2.814 1.875 127 HB3 PHE 22 2HB PHE 22 -8.525 3.590 3.387 128 HD1 PHE 22 HD1 PHE 22 -5.758 2.058 1.516 129 HD2 PHE 22 HD2 PHE 22 -6.889 4.234 4.995 130 HE1 PHE 22 HE1 PHE 22 -3.392 2.556 1.970 131 HE2 PHE 22 HE2 PHE 22 -4.525 4.737 5.453 132 HZ PHE 22 HZ PHE 22 -2.773 3.898 3.940 133 H SER 23 H SER 23 -10.519 1.095 4.814 134 HA SER 23 HA SER 23 -12.092 -0.349 3.051 135 HB2 SER 23 1HB SER 23 -12.433 0.408 5.585 136 HB3 SER 23 2HB SER 23 -13.453 1.627 4.821 137 HG SER 23 HG SER 23 -14.850 0.130 4.266 138 H HIS 24 H HIS 24 -11.585 3.113 3.276 139 HA HIS 24 HA HIS 24 -13.435 3.519 1.025 140 HB2 HIS 24 1HB HIS 24 -13.418 4.847 3.375 141 HB3 HIS 24 2HB HIS 24 -12.323 5.868 2.447 142 HD1 HIS 24 HD1 HIS 24 -13.382 7.532 0.926 143 HD2 HIS 24 HD2 HIS 24 -16.038 4.559 2.096 144 HE1 HIS 24 HE1 HIS 24 -15.621 8.241 0.029 145 H ARG 25 H ARG 25 -12.691 4.170 -0.903 146 HA ARG 25 HA ARG 25 -9.962 4.031 -1.528 147 HB2 ARG 25 1HB ARG 25 -10.639 5.014 -3.721 148 HB3 ARG 25 2HB ARG 25 -11.604 3.627 -3.234 149 HG2 ARG 25 1HG ARG 25 -13.415 5.063 -2.559 150 HG3 ARG 25 2HG ARG 25 -12.439 6.498 -2.883 151 HD2 ARG 25 1HD ARG 25 -12.345 5.909 -5.248 152 HD3 ARG 25 2HD ARG 25 -13.287 4.453 -4.932 153 HE ARG 25 HE ARG 25 -14.682 6.740 -4.030 154 HH11 ARG 25 1HH1 ARG 25 -13.767 5.065 -6.941 155 HH12 ARG 25 2HH1 ARG 25 -15.125 5.638 -7.853 156 HH21 ARG 25 1HH2 ARG 25 -16.473 7.501 -5.219 157 HH22 ARG 25 2HH2 ARG 25 -16.663 7.025 -6.873 158 H GLN 26 H GLN 26 -12.020 6.732 -0.663 159 HA GLN 26 HA GLN 26 -10.465 8.871 -1.487 160 HB2 GLN 26 1HB GLN 26 -12.783 8.895 -0.413 161 HB3 GLN 26 2HB GLN 26 -11.950 8.829 1.134 162 HG2 GLN 26 1HG GLN 26 -12.432 11.095 0.746 163 HG3 GLN 26 2HG GLN 26 -10.709 10.900 0.425 164 HE21 GLN 26 1HE2 GLN 26 -13.827 10.768 -1.261 165 HE22 GLN 26 2HE2 GLN 26 -13.277 11.554 -2.698 166 H SER 27 H SER 27 -10.295 7.052 1.557 167 HA SER 27 HA SER 27 -8.247 8.562 2.744 168 HB2 SER 27 1HB SER 27 -9.810 6.637 3.683 169 HB3 SER 27 2HB SER 27 -8.425 5.626 3.273 170 HG SER 27 HG SER 27 -7.851 7.963 4.642 171 H LEU 28 H LEU 28 -8.134 5.682 0.688 172 HA LEU 28 HA LEU 28 -5.375 5.217 0.836 173 HB2 LEU 28 1HB LEU 28 -6.758 3.522 -0.058 174 HB3 LEU 28 2HB LEU 28 -7.424 4.608 -1.276 175 HG LEU 28 HG LEU 28 -5.125 4.660 -2.317 176 HD11 LEU 28 1HD1 LEU 28 -4.076 2.247 -1.529 177 HD12 LEU 28 2HD1 LEU 28 -4.598 2.969 -0.007 178 HD13 LEU 28 3HD1 LEU 28 -3.479 3.838 -1.057 179 HD21 LEU 28 3HD2 LEU 28 -7.018 2.399 -2.252 180 HD22 LEU 28 1HD2 LEU 28 -5.442 2.071 -2.973 181 HD23 LEU 28 2HD2 LEU 28 -6.450 3.370 -3.611 182 H SER 29 H SER 29 -7.268 7.102 -1.509 183 HA SER 29 HA SER 29 -5.177 7.875 -3.178 184 HB2 SER 29 1HB SER 29 -7.690 9.406 -2.465 185 HB3 SER 29 2HB SER 29 -6.638 9.767 -3.834 186 HG SER 29 HG SER 29 -8.435 8.463 -4.423 187 H VAL 30 H VAL 30 -6.588 9.685 -0.448 188 HA VAL 30 HA VAL 30 -4.678 11.769 -0.512 189 HB VAL 30 HB VAL 30 -6.408 10.848 1.788 190 HG11 VAL 30 1HG1 VAL 30 -4.573 12.198 2.593 191 HG12 VAL 30 2HG1 VAL 30 -4.897 13.424 1.366 192 HG13 VAL 30 3HG1 VAL 30 -6.065 13.134 2.655 193 HG21 VAL 30 3HG2 VAL 30 -8.091 11.629 0.554 194 HG22 VAL 30 1HG2 VAL 30 -7.390 13.235 0.756 195 HG23 VAL 30 2HG2 VAL 30 -6.989 12.269 -0.664 196 H HIS 31 H HIS 31 -4.688 8.607 0.918 197 HA HIS 31 HA HIS 31 -2.603 9.072 2.808 198 HB2 HIS 31 1HB HIS 31 -3.769 7.195 3.413 199 HB3 HIS 31 2HB HIS 31 -4.048 6.700 1.746 200 HD1 HIS 31 HD1 HIS 31 -1.269 6.726 4.324 201 HD2 HIS 31 HD2 HIS 31 -2.385 4.735 0.853 202 HE1 HIS 31 HE1 HIS 31 0.380 4.844 4.069 203 H GLN 32 H GLN 32 -2.698 7.621 -0.433 204 HA GLN 32 HA GLN 32 -0.072 6.837 -0.690 205 HB2 GLN 32 1HB GLN 32 -2.097 7.844 -2.654 206 HB3 GLN 32 2HB GLN 32 -0.452 7.527 -3.189 207 HG2 GLN 32 1HG GLN 32 -0.718 5.216 -2.199 208 HG3 GLN 32 2HG GLN 32 -2.435 5.587 -2.045 209 HE21 GLN 32 1HE2 GLN 32 -2.049 3.503 -3.495 210 HE22 GLN 32 2HE2 GLN 32 -2.154 3.816 -5.191 211 H ARG 33 H ARG 33 -1.326 10.020 -0.459 212 HA ARG 33 HA ARG 33 0.601 11.499 -1.835 213 HB2 ARG 33 1HB ARG 33 -0.902 12.236 0.683 214 HB3 ARG 33 2HB ARG 33 -0.035 13.366 -0.347 215 HG2 ARG 33 1HG ARG 33 -1.546 12.894 -2.184 216 HG3 ARG 33 2HG ARG 33 -2.389 11.695 -1.202 217 HD2 ARG 33 1HD ARG 33 -3.019 13.454 0.387 218 HD3 ARG 33 2HD ARG 33 -2.191 14.646 -0.614 219 HE ARG 33 HE ARG 33 -4.802 13.613 -1.018 220 HH11 ARG 33 1HH1 ARG 33 -1.960 14.680 -2.722 221 HH12 ARG 33 2HH1 ARG 33 -2.830 15.153 -4.143 222 HH21 ARG 33 1HH2 ARG 33 -5.959 14.232 -2.884 223 HH22 ARG 33 2HH2 ARG 33 -5.105 14.898 -4.234 224 H ILE 34 H ILE 34 0.588 10.264 1.479 225 HA ILE 34 HA ILE 34 2.811 11.506 2.518 226 HB ILE 34 HB ILE 34 2.959 9.799 4.117 227 HG12 ILE 34 1HG1 ILE 34 1.626 7.945 2.131 228 HG13 ILE 34 2HG1 ILE 34 3.334 7.936 2.553 229 HG21 ILE 34 1HG2 ILE 34 0.187 9.108 3.641 230 HG22 ILE 34 2HG2 ILE 34 0.905 10.067 4.934 231 HG23 ILE 34 3HG2 ILE 34 0.489 10.828 3.399 232 HD11 ILE 34 3HD1 ILE 34 0.991 6.964 4.083 233 HD12 ILE 34 1HD1 ILE 34 2.592 6.253 3.882 234 HD13 ILE 34 2HD1 ILE 34 2.363 7.611 4.984 235 H HIS 35 H HIS 35 2.656 8.924 0.173 236 HA HIS 35 HA HIS 35 5.440 8.247 0.339 237 HB2 HIS 35 1HB HIS 35 3.624 7.636 -1.986 238 HB3 HIS 35 2HB HIS 35 5.027 6.729 -1.429 239 HD1 HIS 35 HD1 HIS 35 4.392 6.269 1.480 240 HD2 HIS 35 HD2 HIS 35 1.538 5.977 -1.525 241 HE1 HIS 35 HE1 HIS 35 2.579 4.799 2.415 242 H SER 36 H SER 36 3.493 10.479 -1.497 243 HA SER 36 HA SER 36 4.951 11.044 -3.712 244 HB2 SER 36 1HB SER 36 2.852 12.214 -2.961 245 HB3 SER 36 2HB SER 36 3.853 13.198 -1.894 246 HG SER 36 HG SER 36 4.049 14.422 -3.592 247 H GLY 37 H GLY 37 6.847 12.004 -4.241 248 HA2 GLY 37 1HA GLY 37 8.399 13.843 -3.157 249 HA3 GLY 37 2HA GLY 37 8.700 12.520 -2.040 250 H LYS 38 H LYS 38 10.829 13.514 -3.314 251 HA LYS 38 HA LYS 38 11.416 11.497 -5.382 252 HB2 LYS 38 1HB LYS 38 12.133 14.398 -5.218 253 HB3 LYS 38 2HB LYS 38 13.219 13.290 -6.046 254 HG2 LYS 38 1HG LYS 38 10.309 13.367 -6.732 255 HG3 LYS 38 2HG LYS 38 11.432 14.550 -7.407 256 HD2 LYS 38 1HD LYS 38 12.052 11.626 -7.555 257 HD3 LYS 38 2HD LYS 38 10.942 12.359 -8.715 258 HE2 LYS 38 1HE LYS 38 13.741 13.341 -8.175 259 HE3 LYS 38 2HE LYS 38 13.305 12.255 -9.494 260 HZ1 LYS 38 3HZ LYS 38 12.212 14.989 -9.103 261 HZ2 LYS 38 1HZ LYS 38 11.865 13.952 -10.393 262 HZ3 LYS 38 2HZ LYS 38 13.426 14.575 -10.205 263 H LYS 39 H LYS 39 12.706 9.991 -4.564 264 HA LYS 39 HA LYS 39 14.733 10.784 -2.583 265 HB2 LYS 39 1HB LYS 39 13.168 8.274 -3.016 266 HB3 LYS 39 2HB LYS 39 14.759 8.165 -2.274 267 HG2 LYS 39 1HG LYS 39 13.813 10.050 -0.715 268 HG3 LYS 39 2HG LYS 39 12.258 9.395 -1.233 269 HD2 LYS 39 1HD LYS 39 14.467 7.670 -0.135 270 HD3 LYS 39 2HD LYS 39 13.241 8.420 0.892 271 HE2 LYS 39 1HE LYS 39 12.578 6.657 -1.457 272 HE3 LYS 39 2HE LYS 39 12.782 6.042 0.183 273 HZ1 LYS 39 3HZ LYS 39 10.728 6.661 0.673 274 HZ2 LYS 39 1HZ LYS 39 10.490 7.116 -0.939 275 HZ3 LYS 39 2HZ LYS 39 11.026 8.255 0.191 276 HA PRO 40 HA PRO 40 17.979 9.870 -5.400 277 HB2 PRO 40 1HB PRO 40 19.925 9.109 -3.666 278 HB3 PRO 40 2HB PRO 40 19.403 10.788 -3.848 279 HG2 PRO 40 1HG PRO 40 18.635 8.781 -1.764 280 HG3 PRO 40 2HG PRO 40 19.043 10.496 -1.569 281 HD2 PRO 40 1HD PRO 40 16.488 9.599 -1.592 282 HD3 PRO 40 2HD PRO 40 16.945 11.197 -2.216 283 H SER 41 H SER 41 16.528 7.490 -3.457 284 HA SER 41 HA SER 41 17.956 5.214 -3.632 285 HB2 SER 41 1HB SER 41 15.677 5.311 -2.710 286 HB3 SER 41 2HB SER 41 15.020 5.454 -4.340 287 HG SER 41 HG SER 41 15.846 3.388 -4.790 288 H GLY 42 H GLY 42 19.320 4.868 -5.316 289 HA2 GLY 42 1HA GLY 42 19.837 3.858 -7.347 290 HA3 GLY 42 2HA GLY 42 18.135 3.926 -7.782 291 HA PRO 43 HA PRO 43 20.105 6.964 -10.545 292 HB2 PRO 43 1HB PRO 43 18.266 6.667 -12.519 293 HB3 PRO 43 2HB PRO 43 19.644 5.578 -12.319 294 HG2 PRO 43 1HG PRO 43 16.800 5.210 -11.461 295 HG3 PRO 43 2HG PRO 43 17.899 4.044 -12.221 296 HD2 PRO 43 1HD PRO 43 17.395 4.051 -9.561 297 HD3 PRO 43 2HD PRO 43 18.963 3.562 -10.235 298 H SER 44 H SER 44 19.674 9.089 -10.589 299 HA SER 44 HA SER 44 16.938 9.956 -9.914 300 HB2 SER 44 1HB SER 44 17.897 11.886 -8.790 301 HB3 SER 44 2HB SER 44 18.617 10.416 -8.134 302 HG SER 44 HG SER 44 20.227 10.972 -10.002 303 H SER 45 H SER 45 16.490 12.252 -10.651 304 HA SER 45 HA SER 45 16.752 12.378 -13.460 305 HB2 SER 45 1HB SER 45 14.927 13.400 -11.928 306 HB3 SER 45 2HB SER 45 16.037 14.761 -11.767 307 HG SER 45 HG SER 45 15.176 13.725 -14.262 308 H GLY 46 H GLY 46 17.698 14.159 -14.701 309 HA2 GLY 46 1HA GLY 46 19.463 15.490 -15.322 310 HA3 GLY 46 2HA GLY 46 19.622 15.921 -13.626 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -0.049 -12.963 5.022 2 HA2 GLY 1 1HA GLY 1 -1.156 -13.345 7.003 3 HA3 GLY 1 2HA GLY 1 -2.353 -12.166 6.488 4 H SER 2 H SER 2 -1.620 -15.482 6.876 5 HA SER 2 HA SER 2 -3.201 -16.882 5.199 6 HB2 SER 2 1HB SER 2 -1.964 -18.010 6.935 7 HB3 SER 2 2HB SER 2 -2.947 -17.257 8.190 8 HG SER 2 HG SER 2 -3.676 -19.255 6.335 9 H SER 3 H SER 3 -5.352 -17.411 4.959 10 HA SER 3 HA SER 3 -7.230 -15.531 6.192 11 HB2 SER 3 1HB SER 3 -7.232 -17.135 3.663 12 HB3 SER 3 2HB SER 3 -8.772 -16.634 4.361 13 HG SER 3 HG SER 3 -7.448 -15.197 2.789 14 H GLY 4 H GLY 4 -8.081 -16.266 8.033 15 HA2 GLY 4 1HA GLY 4 -9.750 -18.562 8.052 16 HA3 GLY 4 2HA GLY 4 -8.238 -18.906 8.880 17 H SER 5 H SER 5 -10.283 -15.995 8.775 18 HA SER 5 HA SER 5 -10.721 -16.275 11.665 19 HB2 SER 5 1HB SER 5 -8.940 -14.711 11.606 20 HB3 SER 5 2HB SER 5 -9.628 -13.862 10.222 21 HG SER 5 HG SER 5 -11.131 -12.950 11.511 22 H SER 6 H SER 6 -12.848 -16.477 11.869 23 HA SER 6 HA SER 6 -14.753 -15.637 9.988 24 HB2 SER 6 1HB SER 6 -15.100 -16.275 12.927 25 HB3 SER 6 2HB SER 6 -16.420 -16.112 11.768 26 HG SER 6 HG SER 6 -14.869 -18.241 12.261 27 H GLY 7 H GLY 7 -15.707 -13.739 9.614 28 HA2 GLY 7 1HA GLY 7 -16.511 -11.839 11.443 29 HA3 GLY 7 2HA GLY 7 -14.864 -11.400 11.017 30 H THR 8 H THR 8 -16.315 -9.460 10.371 31 HA THR 8 HA THR 8 -16.713 -9.667 7.481 32 HB THR 8 HB THR 8 -18.953 -9.969 8.388 33 HG1 THR 8 HG1 THR 8 -18.623 -7.323 7.376 34 HG21 THR 8 3HG2 THR 8 -18.082 -7.902 10.224 35 HG22 THR 8 1HG2 THR 8 -19.430 -9.030 10.360 36 HG23 THR 8 2HG2 THR 8 -19.637 -7.510 9.490 37 H GLY 9 H GLY 9 -16.209 -7.827 6.353 38 HA2 GLY 9 1HA GLY 9 -16.085 -5.337 6.440 39 HA3 GLY 9 2HA GLY 9 -15.264 -5.546 7.979 40 H GLU 10 H GLU 10 -14.904 -7.035 4.758 41 HA GLU 10 HA GLU 10 -12.022 -6.879 5.006 42 HB2 GLU 10 1HB GLU 10 -13.526 -8.767 3.919 43 HB3 GLU 10 2HB GLU 10 -13.368 -7.756 2.490 44 HG2 GLU 10 1HG GLU 10 -11.640 -9.294 2.294 45 HG3 GLU 10 2HG GLU 10 -10.855 -7.845 2.920 46 H LYS 11 H LYS 11 -10.777 -5.329 4.191 47 HA LYS 11 HA LYS 11 -11.921 -3.065 2.888 48 HB2 LYS 11 1HB LYS 11 -9.087 -3.865 3.529 49 HB3 LYS 11 2HB LYS 11 -9.469 -2.379 2.669 50 HG2 LYS 11 1HG LYS 11 -9.397 -1.553 4.775 51 HG3 LYS 11 2HG LYS 11 -11.091 -2.048 4.744 52 HD2 LYS 11 1HD LYS 11 -10.214 -2.868 6.779 53 HD3 LYS 11 2HD LYS 11 -10.318 -4.264 5.703 54 HE2 LYS 11 1HE LYS 11 -8.207 -4.555 6.533 55 HE3 LYS 11 2HE LYS 11 -7.846 -3.571 5.116 56 HZ1 LYS 11 3HZ LYS 11 -7.864 -1.606 6.566 57 HZ2 LYS 11 1HZ LYS 11 -6.676 -2.723 7.018 58 HZ3 LYS 11 2HZ LYS 11 -8.107 -2.603 7.911 59 HA PRO 12 HA PRO 12 -11.642 -4.914 -1.189 60 HB2 PRO 12 1HB PRO 12 -12.926 -2.884 -2.457 61 HB3 PRO 12 2HB PRO 12 -13.775 -4.135 -1.541 62 HG2 PRO 12 1HG PRO 12 -13.038 -1.354 -0.714 63 HG3 PRO 12 2HG PRO 12 -14.554 -2.235 -0.450 64 HD2 PRO 12 1HD PRO 12 -12.668 -1.972 1.475 65 HD3 PRO 12 2HD PRO 12 -13.708 -3.405 1.346 66 H TYR 13 H TYR 13 -10.313 -1.999 0.018 67 HA TYR 13 HA TYR 13 -8.656 -1.723 -2.404 68 HB2 TYR 13 1HB TYR 13 -9.362 0.463 -0.438 69 HB3 TYR 13 2HB TYR 13 -8.447 0.647 -1.930 70 HD1 TYR 13 HD2 TYR 13 -9.684 0.001 -4.123 71 HD2 TYR 13 HD1 TYR 13 -11.659 0.817 -0.444 72 HE1 TYR 13 HE2 TYR 13 -11.767 0.454 -5.349 73 HE2 TYR 13 HE1 TYR 13 -13.748 1.272 -1.659 74 HH TYR 13 HH TYR 13 -13.920 0.965 -5.195 75 H GLU 14 H GLU 14 -6.461 -0.902 -2.020 76 HA GLU 14 HA GLU 14 -5.285 -0.848 0.542 77 HB2 GLU 14 1HB GLU 14 -4.302 -2.924 0.797 78 HB3 GLU 14 2HB GLU 14 -5.861 -3.360 0.112 79 HG2 GLU 14 1HG GLU 14 -3.362 -3.020 -1.523 80 HG3 GLU 14 2HG GLU 14 -3.898 -4.561 -0.856 81 H CYS 15 H CYS 15 -3.186 -0.121 0.472 82 HA CYS 15 HA CYS 15 -2.301 0.936 -2.046 83 HB2 CYS 15 1HB CYS 15 -2.055 1.882 0.419 84 HB3 CYS 15 2HB CYS 15 -0.551 0.968 0.372 85 H SER 16 H SER 16 -0.312 0.506 -3.083 86 HA SER 16 HA SER 16 0.639 -2.240 -2.654 87 HB2 SER 16 1HB SER 16 -0.303 -1.411 -4.922 88 HB3 SER 16 2HB SER 16 1.244 -0.581 -5.092 89 HG SER 16 HG SER 16 0.899 -2.918 -5.871 90 H VAL 17 H VAL 17 1.916 0.962 -3.569 91 HA VAL 17 HA VAL 17 4.580 0.609 -3.486 92 HB VAL 17 HB VAL 17 4.777 2.890 -2.417 93 HG11 VAL 17 1HG1 VAL 17 4.769 2.954 -4.726 94 HG12 VAL 17 2HG1 VAL 17 3.128 2.314 -4.843 95 HG13 VAL 17 3HG1 VAL 17 3.392 3.982 -4.330 96 HG21 VAL 17 3HG2 VAL 17 1.907 2.346 -1.974 97 HG22 VAL 17 1HG2 VAL 17 3.036 3.328 -1.040 98 HG23 VAL 17 2HG2 VAL 17 2.320 3.972 -2.518 99 H CYS 18 H CYS 18 2.600 1.190 -0.580 100 HA CYS 18 HA CYS 18 4.852 0.314 1.081 101 HB2 CYS 18 1HB CYS 18 3.626 1.282 2.958 102 HB3 CYS 18 2HB CYS 18 3.791 2.462 1.662 103 H GLY 19 H GLY 19 1.416 -0.341 0.497 104 HA2 GLY 19 1HA GLY 19 0.638 -2.625 0.420 105 HA3 GLY 19 2HA GLY 19 1.841 -3.025 1.637 106 H LYS 20 H LYS 20 -0.177 -0.176 1.833 107 HA LYS 20 HA LYS 20 -1.197 -1.062 4.387 108 HB2 LYS 20 1HB LYS 20 -0.461 1.335 3.699 109 HB3 LYS 20 2HB LYS 20 -2.065 1.448 2.986 110 HG2 LYS 20 1HG LYS 20 -3.115 1.482 5.005 111 HG3 LYS 20 2HG LYS 20 -1.864 0.521 5.797 112 HD2 LYS 20 1HD LYS 20 -0.457 2.362 6.075 113 HD3 LYS 20 2HD LYS 20 -1.299 3.308 4.844 114 HE2 LYS 20 1HE LYS 20 -3.069 3.807 6.259 115 HE3 LYS 20 2HE LYS 20 -2.731 2.443 7.325 116 HZ1 LYS 20 3HZ LYS 20 -1.459 3.725 8.584 117 HZ2 LYS 20 1HZ LYS 20 -1.943 5.064 7.671 118 HZ3 LYS 20 2HZ LYS 20 -0.531 4.228 7.262 119 H ALA 21 H ALA 21 -3.653 -0.322 4.724 120 HA ALA 21 HA ALA 21 -5.288 -1.280 2.490 121 HB1 ALA 21 3HB ALA 21 -6.024 -2.310 5.167 122 HB2 ALA 21 1HB ALA 21 -6.214 -3.045 3.575 123 HB3 ALA 21 2HB ALA 21 -4.638 -3.051 4.368 124 H PHE 22 H PHE 22 -7.336 -0.420 2.394 125 HA PHE 22 HA PHE 22 -8.253 1.276 4.587 126 HB2 PHE 22 1HB PHE 22 -8.088 2.308 1.750 127 HB3 PHE 22 2HB PHE 22 -8.617 3.198 3.174 128 HD1 PHE 22 HD1 PHE 22 -5.732 1.824 1.384 129 HD2 PHE 22 HD2 PHE 22 -7.033 4.101 4.737 130 HE1 PHE 22 HE1 PHE 22 -3.426 2.601 1.747 131 HE2 PHE 22 HE2 PHE 22 -4.729 4.882 5.105 132 HZ PHE 22 HZ PHE 22 -2.922 4.133 3.608 133 H SER 23 H SER 23 -10.504 1.825 4.461 134 HA SER 23 HA SER 23 -12.065 -0.289 3.280 135 HB2 SER 23 1HB SER 23 -13.975 1.176 4.329 136 HB3 SER 23 2HB SER 23 -12.887 0.268 5.379 137 HG SER 23 HG SER 23 -12.262 2.088 6.196 138 H HIS 24 H HIS 24 -11.820 3.231 2.903 139 HA HIS 24 HA HIS 24 -13.393 3.008 0.424 140 HB2 HIS 24 1HB HIS 24 -13.925 4.625 2.521 141 HB3 HIS 24 2HB HIS 24 -12.879 5.686 1.580 142 HD1 HIS 24 HD1 HIS 24 -13.934 6.885 -0.338 143 HD2 HIS 24 HD2 HIS 24 -16.273 3.737 1.033 144 HE1 HIS 24 HE1 HIS 24 -16.108 7.067 -1.590 145 H ARG 25 H ARG 25 -12.773 4.630 -1.281 146 HA ARG 25 HA ARG 25 -10.018 4.290 -1.923 147 HB2 ARG 25 1HB ARG 25 -12.385 5.539 -3.222 148 HB3 ARG 25 2HB ARG 25 -10.797 6.053 -3.774 149 HG2 ARG 25 1HG ARG 25 -10.217 3.728 -4.265 150 HG3 ARG 25 2HG ARG 25 -11.816 3.220 -3.720 151 HD2 ARG 25 1HD ARG 25 -12.850 4.553 -5.480 152 HD3 ARG 25 2HD ARG 25 -11.261 5.103 -6.010 153 HE ARG 25 HE ARG 25 -11.426 2.267 -6.021 154 HH11 ARG 25 1HH1 ARG 25 -12.388 5.108 -7.788 155 HH12 ARG 25 2HH1 ARG 25 -12.470 4.291 -9.314 156 HH21 ARG 25 1HH2 ARG 25 -11.530 1.180 -8.024 157 HH22 ARG 25 2HH2 ARG 25 -11.982 2.057 -9.446 158 H GLN 26 H GLN 26 -11.966 7.239 -1.414 159 HA GLN 26 HA GLN 26 -10.188 9.218 -1.568 160 HB2 GLN 26 1HB GLN 26 -11.387 10.432 0.142 161 HB3 GLN 26 2HB GLN 26 -12.530 9.483 -0.799 162 HG2 GLN 26 1HG GLN 26 -12.587 7.797 0.965 163 HG3 GLN 26 2HG GLN 26 -11.440 8.747 1.908 164 HE21 GLN 26 1HE2 GLN 26 -14.567 7.975 1.696 165 HE22 GLN 26 2HE2 GLN 26 -15.291 9.396 2.361 166 H SER 27 H SER 27 -10.331 6.895 1.080 167 HA SER 27 HA SER 27 -8.384 8.126 2.718 168 HB2 SER 27 1HB SER 27 -10.095 6.156 3.183 169 HB3 SER 27 2HB SER 27 -8.715 5.155 2.729 170 HG SER 27 HG SER 27 -8.892 5.684 5.017 171 H LEU 28 H LEU 28 -8.108 5.278 0.585 172 HA LEU 28 HA LEU 28 -5.366 4.912 0.809 173 HB2 LEU 28 1HB LEU 28 -6.577 3.198 -0.217 174 HB3 LEU 28 2HB LEU 28 -7.332 4.299 -1.368 175 HG LEU 28 HG LEU 28 -5.214 4.511 -2.565 176 HD11 LEU 28 1HD1 LEU 28 -3.703 4.208 -0.669 177 HD12 LEU 28 2HD1 LEU 28 -3.309 3.109 -1.990 178 HD13 LEU 28 3HD1 LEU 28 -4.164 2.508 -0.570 179 HD21 LEU 28 3HD2 LEU 28 -6.124 1.680 -2.071 180 HD22 LEU 28 1HD2 LEU 28 -5.064 2.174 -3.392 181 HD23 LEU 28 2HD2 LEU 28 -6.715 2.791 -3.308 182 H SER 29 H SER 29 -7.191 7.061 -1.300 183 HA SER 29 HA SER 29 -5.032 7.862 -2.937 184 HB2 SER 29 1HB SER 29 -7.492 8.201 -3.422 185 HB3 SER 29 2HB SER 29 -7.462 9.528 -2.261 186 HG SER 29 HG SER 29 -6.546 10.735 -3.710 187 H VAL 30 H VAL 30 -6.652 9.702 -0.342 188 HA VAL 30 HA VAL 30 -4.807 11.763 -0.157 189 HB VAL 30 HB VAL 30 -6.476 10.577 2.065 190 HG11 VAL 30 1HG1 VAL 30 -5.290 11.937 3.382 191 HG12 VAL 30 2HG1 VAL 30 -4.561 12.773 2.010 192 HG13 VAL 30 3HG1 VAL 30 -6.156 13.254 2.593 193 HG21 VAL 30 3HG2 VAL 30 -8.209 11.421 0.957 194 HG22 VAL 30 1HG2 VAL 30 -7.521 13.027 1.197 195 HG23 VAL 30 2HG2 VAL 30 -7.147 12.117 -0.267 196 H HIS 31 H HIS 31 -4.555 8.497 0.908 197 HA HIS 31 HA HIS 31 -2.481 8.957 2.844 198 HB2 HIS 31 1HB HIS 31 -3.566 7.003 3.363 199 HB3 HIS 31 2HB HIS 31 -3.838 6.578 1.676 200 HD1 HIS 31 HD1 HIS 31 -1.142 6.493 4.317 201 HD2 HIS 31 HD2 HIS 31 -1.985 4.865 0.588 202 HE1 HIS 31 HE1 HIS 31 0.621 4.741 3.934 203 H GLN 32 H GLN 32 -2.604 7.677 -0.469 204 HA GLN 32 HA GLN 32 0.004 6.982 -0.878 205 HB2 GLN 32 1HB GLN 32 -2.041 8.219 -2.687 206 HB3 GLN 32 2HB GLN 32 -0.412 7.921 -3.278 207 HG2 GLN 32 1HG GLN 32 -0.718 5.528 -2.526 208 HG3 GLN 32 2HG GLN 32 -2.423 5.919 -2.302 209 HE21 GLN 32 1HE2 GLN 32 -3.742 6.001 -4.032 210 HE22 GLN 32 2HE2 GLN 32 -3.238 5.708 -5.659 211 H ARG 33 H ARG 33 -1.313 10.187 -0.549 212 HA ARG 33 HA ARG 33 0.625 11.765 -1.705 213 HB2 ARG 33 1HB ARG 33 -0.851 12.259 0.888 214 HB3 ARG 33 2HB ARG 33 0.014 13.484 -0.031 215 HG2 ARG 33 1HG ARG 33 -1.562 12.731 -1.970 216 HG3 ARG 33 2HG ARG 33 -2.557 12.114 -0.650 217 HD2 ARG 33 1HD ARG 33 -1.597 14.952 -1.003 218 HD3 ARG 33 2HD ARG 33 -3.242 14.365 -1.248 219 HE ARG 33 HE ARG 33 -2.342 13.786 1.378 220 HH11 ARG 33 1HH1 ARG 33 -3.485 16.385 -0.637 221 HH12 ARG 33 2HH1 ARG 33 -4.129 17.301 0.685 222 HH21 ARG 33 1HH2 ARG 33 -3.187 14.983 3.127 223 HH22 ARG 33 2HH2 ARG 33 -3.959 16.503 2.825 224 H ILE 34 H ILE 34 0.673 10.196 1.459 225 HA ILE 34 HA ILE 34 2.889 11.343 2.607 226 HB ILE 34 HB ILE 34 3.121 9.428 3.966 227 HG12 ILE 34 1HG1 ILE 34 1.620 7.847 1.868 228 HG13 ILE 34 2HG1 ILE 34 3.364 7.800 2.105 229 HG21 ILE 34 1HG2 ILE 34 0.597 10.528 3.420 230 HG22 ILE 34 2HG2 ILE 34 0.348 8.795 3.623 231 HG23 ILE 34 3HG2 ILE 34 1.129 9.729 4.899 232 HD11 ILE 34 3HD1 ILE 34 1.433 7.097 4.288 233 HD12 ILE 34 1HD1 ILE 34 2.014 5.916 3.115 234 HD13 ILE 34 2HD1 ILE 34 3.155 6.733 4.183 235 H HIS 35 H HIS 35 2.753 8.996 0.014 236 HA HIS 35 HA HIS 35 5.583 8.459 0.054 237 HB2 HIS 35 1HB HIS 35 3.666 7.847 -2.195 238 HB3 HIS 35 2HB HIS 35 5.186 7.041 -1.820 239 HD1 HIS 35 HD1 HIS 35 4.845 6.341 1.094 240 HD2 HIS 35 HD2 HIS 35 1.785 5.969 -1.693 241 HE1 HIS 35 HE1 HIS 35 3.256 4.648 2.062 242 H SER 36 H SER 36 3.434 10.682 -1.535 243 HA SER 36 HA SER 36 5.698 11.715 -3.113 244 HB2 SER 36 1HB SER 36 2.764 11.539 -3.708 245 HB3 SER 36 2HB SER 36 3.728 12.814 -4.453 246 HG SER 36 HG SER 36 3.510 10.691 -5.588 247 H GLY 37 H GLY 37 6.358 12.934 -1.231 248 HA2 GLY 37 1HA GLY 37 5.301 15.587 -1.257 249 HA3 GLY 37 2HA GLY 37 4.855 14.735 0.214 250 H LYS 38 H LYS 38 7.563 15.885 -1.718 251 HA LYS 38 HA LYS 38 9.180 15.948 0.742 252 HB2 LYS 38 1HB LYS 38 10.040 14.136 -0.595 253 HB3 LYS 38 2HB LYS 38 10.074 15.150 -2.032 254 HG2 LYS 38 1HG LYS 38 12.275 15.195 -1.439 255 HG3 LYS 38 2HG LYS 38 11.687 16.617 -0.573 256 HD2 LYS 38 1HD LYS 38 11.825 15.591 1.479 257 HD3 LYS 38 2HD LYS 38 11.627 13.973 0.802 258 HE2 LYS 38 1HE LYS 38 13.844 13.769 0.286 259 HE3 LYS 38 2HE LYS 38 14.063 15.504 0.061 260 HZ1 LYS 38 3HZ LYS 38 14.336 15.850 2.302 261 HZ2 LYS 38 1HZ LYS 38 15.072 14.337 2.121 262 HZ3 LYS 38 2HZ LYS 38 13.505 14.446 2.748 263 H LYS 39 H LYS 39 8.733 17.269 -2.519 264 HA LYS 39 HA LYS 39 10.311 19.615 -1.903 265 HB2 LYS 39 1HB LYS 39 8.659 18.898 -4.332 266 HB3 LYS 39 2HB LYS 39 9.671 20.331 -4.198 267 HG2 LYS 39 1HG LYS 39 11.598 18.722 -3.757 268 HG3 LYS 39 2HG LYS 39 10.511 17.456 -4.334 269 HD2 LYS 39 1HD LYS 39 10.459 18.301 -6.486 270 HD3 LYS 39 2HD LYS 39 10.913 19.927 -5.969 271 HE2 LYS 39 1HE LYS 39 12.763 17.555 -5.820 272 HE3 LYS 39 2HE LYS 39 12.691 18.643 -7.205 273 HZ1 LYS 39 3HZ LYS 39 13.358 19.427 -4.419 274 HZ2 LYS 39 1HZ LYS 39 13.274 20.479 -5.741 275 HZ3 LYS 39 2HZ LYS 39 14.458 19.272 -5.694 276 HA PRO 40 HA PRO 40 7.047 22.148 -0.397 277 HB2 PRO 40 1HB PRO 40 7.999 24.592 -1.096 278 HB3 PRO 40 2HB PRO 40 8.681 23.638 0.226 279 HG2 PRO 40 1HG PRO 40 9.656 23.947 -2.587 280 HG3 PRO 40 2HG PRO 40 10.583 23.946 -1.075 281 HD2 PRO 40 1HD PRO 40 10.425 21.777 -2.688 282 HD3 PRO 40 2HD PRO 40 10.574 21.646 -0.924 283 H SER 41 H SER 41 7.678 21.707 -3.658 284 HA SER 41 HA SER 41 5.410 23.410 -4.452 285 HB2 SER 41 1HB SER 41 7.489 24.011 -5.591 286 HB3 SER 41 2HB SER 41 7.691 22.346 -6.137 287 HG SER 41 HG SER 41 6.436 24.247 -7.391 288 H GLY 42 H GLY 42 6.968 20.291 -5.201 289 HA2 GLY 42 1HA GLY 42 5.208 18.423 -4.886 290 HA3 GLY 42 2HA GLY 42 4.368 19.299 -6.157 291 HA PRO 43 HA PRO 43 6.910 16.062 -8.224 292 HB2 PRO 43 1HB PRO 43 5.013 15.440 -10.064 293 HB3 PRO 43 2HB PRO 43 5.061 14.718 -8.451 294 HG2 PRO 43 1HG PRO 43 3.380 16.977 -9.465 295 HG3 PRO 43 2HG PRO 43 2.916 15.615 -8.430 296 HD2 PRO 43 1HD PRO 43 3.431 18.083 -7.444 297 HD3 PRO 43 2HD PRO 43 3.777 16.600 -6.532 298 H SER 44 H SER 44 7.104 15.814 -10.766 299 HA SER 44 HA SER 44 8.031 18.348 -11.719 300 HB2 SER 44 1HB SER 44 8.718 17.085 -13.728 301 HB3 SER 44 2HB SER 44 9.249 16.291 -12.245 302 HG SER 44 HG SER 44 7.548 15.404 -14.179 303 H SER 45 H SER 45 6.055 19.553 -11.748 304 HA SER 45 HA SER 45 4.004 18.762 -13.647 305 HB2 SER 45 1HB SER 45 2.719 20.591 -12.797 306 HB3 SER 45 2HB SER 45 3.492 19.828 -11.407 307 HG SER 45 HG SER 45 4.635 21.574 -11.081 308 H GLY 46 H GLY 46 4.177 19.234 -15.730 309 HA2 GLY 46 1HA GLY 46 6.149 20.820 -16.884 310 HA3 GLY 46 2HA GLY 46 4.651 20.354 -17.676 Start of MODEL 17 1 H1 GLY 1 H GLY 1 13.278 -14.539 7.642 2 HA2 GLY 1 1HA GLY 1 11.434 -15.735 5.848 3 HA3 GLY 1 2HA GLY 1 12.664 -16.900 6.312 4 H SER 2 H SER 2 9.761 -15.378 7.191 5 HA SER 2 HA SER 2 9.890 -16.633 9.855 6 HB2 SER 2 1HB SER 2 8.586 -14.872 10.783 7 HB3 SER 2 2HB SER 2 9.839 -14.085 9.823 8 HG SER 2 HG SER 2 7.156 -14.564 9.024 9 H SER 3 H SER 3 7.847 -17.410 10.700 10 HA SER 3 HA SER 3 5.999 -18.218 8.551 11 HB2 SER 3 1HB SER 3 7.020 -19.692 10.963 12 HB3 SER 3 2HB SER 3 5.481 -20.141 10.229 13 HG SER 3 HG SER 3 6.528 -20.639 8.347 14 H GLY 4 H GLY 4 3.756 -18.405 9.082 15 HA2 GLY 4 1HA GLY 4 2.454 -17.912 11.415 16 HA3 GLY 4 2HA GLY 4 2.877 -16.303 10.849 17 H SER 5 H SER 5 0.434 -18.428 10.942 18 HA SER 5 HA SER 5 -0.583 -18.451 8.315 19 HB2 SER 5 1HB SER 5 -2.749 -19.019 9.387 20 HB3 SER 5 2HB SER 5 -1.416 -19.992 10.010 21 HG SER 5 HG SER 5 -1.571 -19.026 11.903 22 H SER 6 H SER 6 -2.811 -17.414 7.842 23 HA SER 6 HA SER 6 -3.111 -14.736 8.925 24 HB2 SER 6 1HB SER 6 -2.522 -15.213 5.994 25 HB3 SER 6 2HB SER 6 -3.035 -13.674 6.686 26 HG SER 6 HG SER 6 -0.657 -15.100 7.297 27 H GLY 7 H GLY 7 -5.207 -14.506 9.307 28 HA2 GLY 7 1HA GLY 7 -7.196 -16.237 8.347 29 HA3 GLY 7 2HA GLY 7 -7.487 -14.688 9.126 30 H THR 8 H THR 8 -8.239 -16.346 6.481 31 HA THR 8 HA THR 8 -7.710 -14.732 4.283 32 HB THR 8 HB THR 8 -8.710 -16.968 4.087 33 HG1 THR 8 HG1 THR 8 -10.228 -16.376 2.437 34 HG21 THR 8 3HG2 THR 8 -10.891 -15.663 5.600 35 HG22 THR 8 1HG2 THR 8 -10.342 -17.338 5.622 36 HG23 THR 8 2HG2 THR 8 -11.380 -16.768 4.316 37 H GLY 9 H GLY 9 -8.917 -13.124 3.206 38 HA2 GLY 9 1HA GLY 9 -10.891 -11.698 3.121 39 HA3 GLY 9 2HA GLY 9 -10.932 -11.759 4.876 40 H GLU 10 H GLU 10 -10.636 -9.568 2.734 41 HA GLU 10 HA GLU 10 -8.836 -7.945 4.284 42 HB2 GLU 10 1HB GLU 10 -7.356 -7.354 2.405 43 HB3 GLU 10 2HB GLU 10 -7.218 -9.050 2.847 44 HG2 GLU 10 1HG GLU 10 -8.541 -9.711 0.961 45 HG3 GLU 10 2HG GLU 10 -8.888 -8.029 0.563 46 H LYS 11 H LYS 11 -8.711 -5.689 3.365 47 HA LYS 11 HA LYS 11 -11.347 -4.789 2.768 48 HB2 LYS 11 1HB LYS 11 -8.679 -3.409 2.980 49 HB3 LYS 11 2HB LYS 11 -10.132 -2.540 2.505 50 HG2 LYS 11 1HG LYS 11 -10.080 -4.155 5.021 51 HG3 LYS 11 2HG LYS 11 -9.410 -2.522 4.977 52 HD2 LYS 11 1HD LYS 11 -11.460 -1.544 4.646 53 HD3 LYS 11 2HD LYS 11 -12.137 -2.975 3.865 54 HE2 LYS 11 1HE LYS 11 -12.345 -4.100 5.968 55 HE3 LYS 11 2HE LYS 11 -11.457 -2.823 6.797 56 HZ1 LYS 11 3HZ LYS 11 -13.956 -2.201 5.367 57 HZ2 LYS 11 1HZ LYS 11 -13.232 -1.379 6.656 58 HZ3 LYS 11 2HZ LYS 11 -14.012 -2.855 6.926 59 HA PRO 12 HA PRO 12 -11.363 -4.663 -1.619 60 HB2 PRO 12 1HB PRO 12 -12.779 -2.396 -2.095 61 HB3 PRO 12 2HB PRO 12 -13.518 -3.878 -1.478 62 HG2 PRO 12 1HG PRO 12 -12.666 -1.424 0.011 63 HG3 PRO 12 2HG PRO 12 -14.144 -2.387 0.193 64 HD2 PRO 12 1HD PRO 12 -12.034 -2.625 1.873 65 HD3 PRO 12 2HD PRO 12 -13.092 -3.992 1.469 66 H TYR 13 H TYR 13 -9.750 -2.313 0.204 67 HA TYR 13 HA TYR 13 -8.447 -1.265 -2.222 68 HB2 TYR 13 1HB TYR 13 -9.000 0.218 0.356 69 HB3 TYR 13 2HB TYR 13 -8.071 0.853 -0.998 70 HD1 TYR 13 HD2 TYR 13 -9.188 1.459 -3.096 71 HD2 TYR 13 HD1 TYR 13 -11.405 0.097 0.270 72 HE1 TYR 13 HE2 TYR 13 -11.254 2.318 -4.116 73 HE2 TYR 13 HE1 TYR 13 -13.477 0.951 -0.741 74 HH TYR 13 HH TYR 13 -14.157 2.641 -2.398 75 H GLU 14 H GLU 14 -6.230 -1.072 -2.196 76 HA GLU 14 HA GLU 14 -4.742 -1.637 0.225 77 HB2 GLU 14 1HB GLU 14 -5.230 -3.886 -0.592 78 HB3 GLU 14 2HB GLU 14 -4.586 -3.470 -2.174 79 HG2 GLU 14 1HG GLU 14 -2.438 -2.895 -0.742 80 HG3 GLU 14 2HG GLU 14 -3.168 -4.063 0.358 81 H CYS 15 H CYS 15 -3.144 -0.215 0.250 82 HA CYS 15 HA CYS 15 -2.407 1.401 -1.902 83 HB2 CYS 15 1HB CYS 15 -1.973 1.586 0.705 84 HB3 CYS 15 2HB CYS 15 -0.430 0.859 0.269 85 H SER 16 H SER 16 -1.212 1.026 -3.640 86 HA SER 16 HA SER 16 0.247 -1.461 -3.884 87 HB2 SER 16 1HB SER 16 -0.387 0.779 -5.802 88 HB3 SER 16 2HB SER 16 0.698 -0.542 -6.235 89 HG SER 16 HG SER 16 -1.955 -0.515 -6.281 90 H VAL 17 H VAL 17 1.190 0.687 -2.056 91 HA VAL 17 HA VAL 17 3.886 1.020 -3.202 92 HB VAL 17 HB VAL 17 2.424 2.948 -1.393 93 HG11 VAL 17 1HG1 VAL 17 4.709 2.955 -0.740 94 HG12 VAL 17 2HG1 VAL 17 5.256 2.937 -2.418 95 HG13 VAL 17 3HG1 VAL 17 4.464 4.371 -1.761 96 HG21 VAL 17 3HG2 VAL 17 3.357 3.229 -4.249 97 HG22 VAL 17 1HG2 VAL 17 1.686 3.050 -3.716 98 HG23 VAL 17 2HG2 VAL 17 2.600 4.495 -3.283 99 H CYS 18 H CYS 18 2.458 1.582 0.008 100 HA CYS 18 HA CYS 18 4.697 0.219 1.248 101 HB2 CYS 18 1HB CYS 18 3.585 0.929 3.379 102 HB3 CYS 18 2HB CYS 18 3.979 2.259 2.295 103 H GLY 19 H GLY 19 1.275 -0.303 0.680 104 HA2 GLY 19 1HA GLY 19 0.435 -2.547 0.471 105 HA3 GLY 19 2HA GLY 19 1.615 -3.055 1.671 106 H LYS 20 H LYS 20 -0.476 -0.230 1.907 107 HA LYS 20 HA LYS 20 -1.513 -1.248 4.427 108 HB2 LYS 20 1HB LYS 20 -0.698 1.191 3.856 109 HB3 LYS 20 2HB LYS 20 -2.340 1.377 3.254 110 HG2 LYS 20 1HG LYS 20 -3.275 0.998 5.378 111 HG3 LYS 20 2HG LYS 20 -1.755 0.372 6.022 112 HD2 LYS 20 1HD LYS 20 -0.876 2.766 5.377 113 HD3 LYS 20 2HD LYS 20 -2.586 3.188 5.494 114 HE2 LYS 20 1HE LYS 20 -1.045 1.772 7.663 115 HE3 LYS 20 2HE LYS 20 -1.275 3.519 7.601 116 HZ1 LYS 20 3HZ LYS 20 -3.758 2.897 7.454 117 HZ2 LYS 20 1HZ LYS 20 -2.985 2.828 8.957 118 HZ3 LYS 20 2HZ LYS 20 -3.267 1.406 8.085 119 H ALA 21 H ALA 21 -3.888 -0.838 4.879 120 HA ALA 21 HA ALA 21 -5.542 -1.385 2.509 121 HB1 ALA 21 3HB ALA 21 -5.401 -3.527 3.366 122 HB2 ALA 21 1HB ALA 21 -5.366 -2.967 5.039 123 HB3 ALA 21 2HB ALA 21 -6.873 -2.920 4.123 124 H PHE 22 H PHE 22 -7.339 -0.191 2.383 125 HA PHE 22 HA PHE 22 -8.298 1.152 4.821 126 HB2 PHE 22 1HB PHE 22 -8.277 2.415 2.077 127 HB3 PHE 22 2HB PHE 22 -8.680 3.186 3.607 128 HD1 PHE 22 HD1 PHE 22 -5.912 1.679 1.673 129 HD2 PHE 22 HD2 PHE 22 -7.021 4.168 4.943 130 HE1 PHE 22 HE1 PHE 22 -3.568 2.382 1.929 131 HE2 PHE 22 HE2 PHE 22 -4.680 4.876 5.203 132 HZ PHE 22 HZ PHE 22 -2.949 3.984 3.695 133 H SER 23 H SER 23 -10.565 2.029 4.517 134 HA SER 23 HA SER 23 -12.210 -0.113 3.468 135 HB2 SER 23 1HB SER 23 -14.052 1.521 4.426 136 HB3 SER 23 2HB SER 23 -13.056 0.553 5.514 137 HG SER 23 HG SER 23 -13.302 3.163 5.487 138 H HIS 24 H HIS 24 -11.977 3.413 3.026 139 HA HIS 24 HA HIS 24 -13.471 3.131 0.510 140 HB2 HIS 24 1HB HIS 24 -13.984 4.834 2.539 141 HB3 HIS 24 2HB HIS 24 -12.893 5.832 1.583 142 HD1 HIS 24 HD1 HIS 24 -13.852 6.948 -0.446 143 HD2 HIS 24 HD2 HIS 24 -16.364 4.021 1.100 144 HE1 HIS 24 HE1 HIS 24 -16.007 7.168 -1.724 145 H ARG 25 H ARG 25 -12.783 4.576 -1.282 146 HA ARG 25 HA ARG 25 -9.992 4.220 -1.790 147 HB2 ARG 25 1HB ARG 25 -12.000 4.179 -3.451 148 HB3 ARG 25 2HB ARG 25 -11.786 5.924 -3.486 149 HG2 ARG 25 1HG ARG 25 -9.395 4.223 -3.927 150 HG3 ARG 25 2HG ARG 25 -10.593 4.332 -5.219 151 HD2 ARG 25 1HD ARG 25 -10.423 6.886 -4.825 152 HD3 ARG 25 2HD ARG 25 -8.910 6.493 -4.009 153 HE ARG 25 HE ARG 25 -9.451 6.350 -6.848 154 HH11 ARG 25 1HH1 ARG 25 -7.358 5.420 -4.226 155 HH12 ARG 25 2HH1 ARG 25 -5.995 5.115 -5.250 156 HH21 ARG 25 1HH2 ARG 25 -7.663 5.952 -8.207 157 HH22 ARG 25 2HH2 ARG 25 -6.169 5.418 -7.514 158 H GLN 26 H GLN 26 -12.081 7.076 -1.407 159 HA GLN 26 HA GLN 26 -10.365 9.126 -1.809 160 HB2 GLN 26 1HB GLN 26 -12.821 9.091 -0.911 161 HB3 GLN 26 2HB GLN 26 -12.051 9.189 0.667 162 HG2 GLN 26 1HG GLN 26 -11.377 11.131 -1.508 163 HG3 GLN 26 2HG GLN 26 -12.787 11.359 -0.475 164 HE21 GLN 26 1HE2 GLN 26 -11.512 13.360 -0.015 165 HE22 GLN 26 2HE2 GLN 26 -10.378 13.294 1.287 166 H SER 27 H SER 27 -10.654 7.306 1.234 167 HA SER 27 HA SER 27 -8.703 8.690 2.675 168 HB2 SER 27 1HB SER 27 -9.890 5.948 2.870 169 HB3 SER 27 2HB SER 27 -8.495 6.351 3.869 170 HG SER 27 HG SER 27 -10.973 6.893 4.402 171 H LEU 28 H LEU 28 -8.405 5.739 0.714 172 HA LEU 28 HA LEU 28 -5.682 5.286 1.134 173 HB2 LEU 28 1HB LEU 28 -6.846 3.533 0.151 174 HB3 LEU 28 2HB LEU 28 -7.588 4.578 -1.059 175 HG LEU 28 HG LEU 28 -5.344 4.781 -2.145 176 HD11 LEU 28 1HD1 LEU 28 -3.793 2.819 -1.509 177 HD12 LEU 28 2HD1 LEU 28 -4.652 2.845 0.031 178 HD13 LEU 28 3HD1 LEU 28 -3.775 4.275 -0.514 179 HD21 LEU 28 3HD2 LEU 28 -6.587 3.317 -3.347 180 HD22 LEU 28 1HD2 LEU 28 -6.955 2.308 -1.948 181 HD23 LEU 28 2HD2 LEU 28 -5.386 2.175 -2.742 182 H SER 29 H SER 29 -7.264 6.955 -1.591 183 HA SER 29 HA SER 29 -5.060 7.708 -3.035 184 HB2 SER 29 1HB SER 29 -7.629 8.169 -3.393 185 HB3 SER 29 2HB SER 29 -7.246 9.717 -2.640 186 HG SER 29 HG SER 29 -7.062 9.617 -4.997 187 H VAL 30 H VAL 30 -6.567 9.579 -0.403 188 HA VAL 30 HA VAL 30 -4.683 11.662 -0.381 189 HB VAL 30 HB VAL 30 -6.404 10.633 1.879 190 HG11 VAL 30 1HG1 VAL 30 -5.149 11.981 3.148 191 HG12 VAL 30 2HG1 VAL 30 -4.406 12.758 1.749 192 HG13 VAL 30 3HG1 VAL 30 -5.980 13.302 2.329 193 HG21 VAL 30 3HG2 VAL 30 -7.286 13.119 0.853 194 HG22 VAL 30 1HG2 VAL 30 -7.031 12.039 -0.517 195 HG23 VAL 30 2HG2 VAL 30 -8.107 11.559 0.795 196 H HIS 31 H HIS 31 -4.705 8.507 1.138 197 HA HIS 31 HA HIS 31 -2.602 8.949 2.973 198 HB2 HIS 31 1HB HIS 31 -3.757 7.031 3.497 199 HB3 HIS 31 2HB HIS 31 -3.948 6.557 1.812 200 HD1 HIS 31 HD1 HIS 31 -1.369 6.549 4.573 201 HD2 HIS 31 HD2 HIS 31 -2.087 4.765 0.890 202 HE1 HIS 31 HE1 HIS 31 0.382 4.759 4.340 203 H GLN 32 H GLN 32 -2.581 7.301 -0.192 204 HA GLN 32 HA GLN 32 0.049 6.705 -0.469 205 HB2 GLN 32 1HB GLN 32 -1.981 7.660 -2.454 206 HB3 GLN 32 2HB GLN 32 -0.323 7.379 -2.968 207 HG2 GLN 32 1HG GLN 32 -0.459 5.072 -2.245 208 HG3 GLN 32 2HG GLN 32 -2.093 5.339 -1.640 209 HE21 GLN 32 1HE2 GLN 32 -3.622 4.633 -2.926 210 HE22 GLN 32 2HE2 GLN 32 -3.545 4.527 -4.649 211 H ARG 33 H ARG 33 -1.355 9.869 -0.416 212 HA ARG 33 HA ARG 33 0.413 11.467 -1.729 213 HB2 ARG 33 1HB ARG 33 -0.857 11.937 0.972 214 HB3 ARG 33 2HB ARG 33 -0.031 13.185 0.048 215 HG2 ARG 33 1HG ARG 33 -1.645 12.909 -1.767 216 HG3 ARG 33 2HG ARG 33 -2.474 11.662 -0.834 217 HD2 ARG 33 1HD ARG 33 -3.727 13.580 -0.418 218 HD3 ARG 33 2HD ARG 33 -2.679 13.455 0.994 219 HE ARG 33 HE ARG 33 -1.619 15.100 -1.118 220 HH11 ARG 33 1HH1 ARG 33 -3.620 15.008 1.729 221 HH12 ARG 33 2HH1 ARG 33 -3.440 16.697 2.069 222 HH21 ARG 33 1HH2 ARG 33 -1.374 17.325 -0.681 223 HH22 ARG 33 2HH2 ARG 33 -2.163 18.015 0.697 224 H ILE 34 H ILE 34 0.830 10.143 1.539 225 HA ILE 34 HA ILE 34 3.151 11.352 2.327 226 HB ILE 34 HB ILE 34 3.649 9.398 3.675 227 HG12 ILE 34 1HG1 ILE 34 1.531 7.991 2.034 228 HG13 ILE 34 2HG1 ILE 34 3.262 7.687 1.942 229 HG21 ILE 34 1HG2 ILE 34 1.934 10.735 4.580 230 HG22 ILE 34 2HG2 ILE 34 0.742 10.119 3.436 231 HG23 ILE 34 3HG2 ILE 34 1.359 9.074 4.717 232 HD11 ILE 34 3HD1 ILE 34 2.619 7.400 4.634 233 HD12 ILE 34 1HD1 ILE 34 1.306 6.619 3.754 234 HD13 ILE 34 2HD1 ILE 34 2.975 6.120 3.474 235 H HIS 35 H HIS 35 2.767 8.783 -0.031 236 HA HIS 35 HA HIS 35 5.578 8.262 -0.282 237 HB2 HIS 35 1HB HIS 35 3.490 7.546 -2.330 238 HB3 HIS 35 2HB HIS 35 4.996 6.710 -1.962 239 HD1 HIS 35 HD1 HIS 35 4.818 6.162 0.961 240 HD2 HIS 35 HD2 HIS 35 1.520 5.878 -1.549 241 HE1 HIS 35 HE1 HIS 35 3.204 4.638 2.142 242 H SER 36 H SER 36 3.267 10.388 -1.786 243 HA SER 36 HA SER 36 4.251 11.046 -4.195 244 HB2 SER 36 1HB SER 36 3.439 13.007 -2.037 245 HB3 SER 36 2HB SER 36 3.599 13.409 -3.746 246 HG SER 36 HG SER 36 2.034 11.210 -3.276 247 H GLY 37 H GLY 37 6.024 11.942 -5.091 248 HA2 GLY 37 1HA GLY 37 8.088 12.952 -5.268 249 HA3 GLY 37 2HA GLY 37 7.867 13.572 -3.639 250 H LYS 38 H LYS 38 10.152 13.125 -3.375 251 HA LYS 38 HA LYS 38 11.984 11.796 -2.928 252 HB2 LYS 38 1HB LYS 38 11.587 10.361 -0.955 253 HB3 LYS 38 2HB LYS 38 10.876 11.960 -0.777 254 HG2 LYS 38 1HG LYS 38 8.683 11.019 -1.404 255 HG3 LYS 38 2HG LYS 38 9.420 9.417 -1.473 256 HD2 LYS 38 1HD LYS 38 8.491 9.482 0.659 257 HD3 LYS 38 2HD LYS 38 10.180 9.909 0.945 258 HE2 LYS 38 1HE LYS 38 9.371 12.345 0.695 259 HE3 LYS 38 2HE LYS 38 7.758 11.678 0.942 260 HZ1 LYS 38 3HZ LYS 38 9.715 10.784 2.862 261 HZ2 LYS 38 1HZ LYS 38 8.142 11.358 3.105 262 HZ3 LYS 38 2HZ LYS 38 9.420 12.449 2.911 263 H LYS 39 H LYS 39 10.919 10.937 -5.307 264 HA LYS 39 HA LYS 39 10.149 8.285 -5.523 265 HB2 LYS 39 1HB LYS 39 11.588 10.183 -7.326 266 HB3 LYS 39 2HB LYS 39 11.506 8.487 -7.785 267 HG2 LYS 39 1HG LYS 39 9.657 9.321 -8.842 268 HG3 LYS 39 2HG LYS 39 8.954 8.785 -7.314 269 HD2 LYS 39 1HD LYS 39 8.081 10.946 -7.713 270 HD3 LYS 39 2HD LYS 39 9.319 11.144 -6.471 271 HE2 LYS 39 1HE LYS 39 10.865 12.036 -8.024 272 HE3 LYS 39 2HE LYS 39 9.880 11.541 -9.399 273 HZ1 LYS 39 3HZ LYS 39 9.572 13.854 -9.110 274 HZ2 LYS 39 1HZ LYS 39 9.299 13.696 -7.448 275 HZ3 LYS 39 2HZ LYS 39 8.156 13.117 -8.551 276 HA PRO 40 HA PRO 40 13.846 6.337 -3.916 277 HB2 PRO 40 1HB PRO 40 12.854 3.812 -4.012 278 HB3 PRO 40 2HB PRO 40 12.438 4.959 -2.734 279 HG2 PRO 40 1HG PRO 40 10.893 4.215 -5.188 280 HG3 PRO 40 2HG PRO 40 10.313 4.450 -3.529 281 HD2 PRO 40 1HD PRO 40 10.045 6.342 -5.448 282 HD3 PRO 40 2HD PRO 40 10.273 6.745 -3.734 283 H SER 41 H SER 41 15.394 4.785 -4.702 284 HA SER 41 HA SER 41 16.066 5.021 -7.361 285 HB2 SER 41 1HB SER 41 16.807 3.017 -5.253 286 HB3 SER 41 2HB SER 41 17.395 2.819 -6.903 287 HG SER 41 HG SER 41 18.654 4.519 -6.677 288 H GLY 42 H GLY 42 14.770 4.506 -9.013 289 HA2 GLY 42 1HA GLY 42 14.102 2.772 -10.535 290 HA3 GLY 42 2HA GLY 42 13.799 1.730 -9.153 291 HA PRO 43 HA PRO 43 10.139 4.913 -9.509 292 HB2 PRO 43 1HB PRO 43 9.864 6.057 -11.956 293 HB3 PRO 43 2HB PRO 43 10.805 6.792 -10.652 294 HG2 PRO 43 1HG PRO 43 11.748 5.190 -12.999 295 HG3 PRO 43 2HG PRO 43 12.432 6.674 -12.309 296 HD2 PRO 43 1HD PRO 43 13.464 4.223 -11.803 297 HD3 PRO 43 2HD PRO 43 13.508 5.542 -10.615 298 H SER 44 H SER 44 11.125 2.343 -11.316 299 HA SER 44 HA SER 44 9.021 1.914 -13.125 300 HB2 SER 44 1HB SER 44 10.724 -0.125 -11.671 301 HB3 SER 44 2HB SER 44 9.727 -0.452 -13.088 302 HG SER 44 HG SER 44 11.593 -0.009 -14.024 303 H SER 45 H SER 45 6.954 2.017 -12.497 304 HA SER 45 HA SER 45 5.835 -0.020 -10.881 305 HB2 SER 45 1HB SER 45 6.715 1.282 -9.025 306 HB3 SER 45 2HB SER 45 5.962 2.747 -9.657 307 HG SER 45 HG SER 45 4.371 2.159 -8.408 308 H GLY 46 H GLY 46 3.606 -0.131 -11.081 309 HA2 GLY 46 1HA GLY 46 2.495 1.624 -13.140 310 HA3 GLY 46 2HA GLY 46 1.812 0.098 -12.597 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -1.310 -4.769 19.726 2 HA2 GLY 1 1HA GLY 1 -0.542 -3.039 21.487 3 HA3 GLY 1 2HA GLY 1 0.771 -2.786 20.347 4 H SER 2 H SER 2 -0.572 -2.908 17.938 5 HA SER 2 HA SER 2 -2.271 -0.511 18.119 6 HB2 SER 2 1HB SER 2 -1.572 0.007 15.839 7 HB3 SER 2 2HB SER 2 -0.155 -0.225 16.863 8 HG SER 2 HG SER 2 -0.202 -1.314 14.723 9 H SER 3 H SER 3 -1.893 -3.604 16.430 10 HA SER 3 HA SER 3 -4.454 -3.402 15.139 11 HB2 SER 3 1HB SER 3 -2.413 -4.670 14.262 12 HB3 SER 3 2HB SER 3 -2.813 -5.917 15.442 13 HG SER 3 HG SER 3 -4.669 -4.946 13.537 14 H GLY 4 H GLY 4 -6.357 -4.382 15.682 15 HA2 GLY 4 1HA GLY 4 -6.463 -5.521 18.398 16 HA3 GLY 4 2HA GLY 4 -7.802 -4.730 17.580 17 H SER 5 H SER 5 -7.083 -7.556 18.744 18 HA SER 5 HA SER 5 -7.546 -9.279 16.483 19 HB2 SER 5 1HB SER 5 -6.185 -9.905 18.529 20 HB3 SER 5 2HB SER 5 -7.709 -10.027 19.407 21 HG SER 5 HG SER 5 -7.928 -11.391 17.129 22 H SER 6 H SER 6 -9.568 -7.450 16.551 23 HA SER 6 HA SER 6 -11.874 -9.090 17.368 24 HB2 SER 6 1HB SER 6 -11.532 -6.095 17.575 25 HB3 SER 6 2HB SER 6 -13.100 -6.894 17.695 26 HG SER 6 HG SER 6 -11.344 -8.116 19.307 27 H GLY 7 H GLY 7 -11.092 -9.653 14.969 28 HA2 GLY 7 1HA GLY 7 -12.401 -9.865 12.978 29 HA3 GLY 7 2HA GLY 7 -12.991 -8.229 13.233 30 H THR 8 H THR 8 -11.485 -9.749 11.009 31 HA THR 8 HA THR 8 -9.017 -8.289 10.752 32 HB THR 8 HB THR 8 -10.425 -9.900 8.619 33 HG1 THR 8 HG1 THR 8 -9.743 -11.648 9.607 34 HG21 THR 8 3HG2 THR 8 -7.993 -8.388 8.685 35 HG22 THR 8 1HG2 THR 8 -8.700 -9.293 7.347 36 HG23 THR 8 2HG2 THR 8 -7.614 -10.098 8.480 37 H GLY 9 H GLY 9 -12.127 -8.304 9.005 38 HA2 GLY 9 1HA GLY 9 -13.228 -6.584 7.936 39 HA3 GLY 9 2HA GLY 9 -12.054 -5.473 8.627 40 H GLU 10 H GLU 10 -12.400 -7.925 6.077 41 HA GLU 10 HA GLU 10 -10.134 -7.238 4.600 42 HB2 GLU 10 1HB GLU 10 -11.131 -8.430 2.764 43 HB3 GLU 10 2HB GLU 10 -11.515 -9.280 4.254 44 HG2 GLU 10 1HG GLU 10 -13.342 -7.483 2.680 45 HG3 GLU 10 2HG GLU 10 -13.447 -9.236 2.833 46 H LYS 11 H LYS 11 -9.622 -5.478 3.492 47 HA LYS 11 HA LYS 11 -11.755 -3.587 2.785 48 HB2 LYS 11 1HB LYS 11 -8.830 -3.278 3.371 49 HB3 LYS 11 2HB LYS 11 -9.669 -2.057 2.423 50 HG2 LYS 11 1HG LYS 11 -10.936 -1.351 4.195 51 HG3 LYS 11 2HG LYS 11 -10.840 -2.906 5.024 52 HD2 LYS 11 1HD LYS 11 -8.663 -2.483 5.796 53 HD3 LYS 11 2HD LYS 11 -8.420 -1.166 4.646 54 HE2 LYS 11 1HE LYS 11 -9.668 0.322 5.884 55 HE3 LYS 11 2HE LYS 11 -10.601 -0.951 6.669 56 HZ1 LYS 11 3HZ LYS 11 -7.776 -0.229 7.226 57 HZ2 LYS 11 1HZ LYS 11 -8.578 -1.552 7.911 58 HZ3 LYS 11 2HZ LYS 11 -9.103 0.020 8.245 59 HA PRO 12 HA PRO 12 -11.214 -4.719 -1.465 60 HB2 PRO 12 1HB PRO 12 -12.703 -2.714 -2.528 61 HB3 PRO 12 2HB PRO 12 -13.417 -4.123 -1.734 62 HG2 PRO 12 1HG PRO 12 -12.942 -1.374 -0.647 63 HG3 PRO 12 2HG PRO 12 -14.362 -2.420 -0.464 64 HD2 PRO 12 1HD PRO 12 -12.487 -2.158 1.471 65 HD3 PRO 12 2HD PRO 12 -13.385 -3.667 1.209 66 H TYR 13 H TYR 13 -9.853 -2.120 0.097 67 HA TYR 13 HA TYR 13 -8.457 -1.264 -2.352 68 HB2 TYR 13 1HB TYR 13 -9.142 0.448 0.046 69 HB3 TYR 13 2HB TYR 13 -8.228 0.975 -1.362 70 HD1 TYR 13 HD2 TYR 13 -9.395 0.999 -3.613 71 HD2 TYR 13 HD1 TYR 13 -11.493 0.520 0.057 72 HE1 TYR 13 HE2 TYR 13 -11.486 1.652 -4.730 73 HE2 TYR 13 HE1 TYR 13 -13.591 1.171 -1.050 74 HH TYR 13 HH TYR 13 -13.837 2.763 -3.733 75 H GLU 14 H GLU 14 -6.251 -1.001 -2.240 76 HA GLU 14 HA GLU 14 -4.872 -1.274 0.293 77 HB2 GLU 14 1HB GLU 14 -5.252 -3.608 -0.311 78 HB3 GLU 14 2HB GLU 14 -4.549 -3.330 -1.899 79 HG2 GLU 14 1HG GLU 14 -2.436 -2.638 -0.629 80 HG3 GLU 14 2HG GLU 14 -3.188 -3.411 0.765 81 H CYS 15 H CYS 15 -3.055 -0.106 0.294 82 HA CYS 15 HA CYS 15 -2.347 1.508 -1.895 83 HB2 CYS 15 1HB CYS 15 -1.849 1.702 0.702 84 HB3 CYS 15 2HB CYS 15 -0.342 0.920 0.238 85 H SER 16 H SER 16 -1.210 1.068 -3.656 86 HA SER 16 HA SER 16 0.160 -1.469 -3.899 87 HB2 SER 16 1HB SER 16 -1.288 -0.415 -5.712 88 HB3 SER 16 2HB SER 16 0.035 0.721 -5.975 89 HG SER 16 HG SER 16 0.186 -1.075 -7.370 90 H VAL 17 H VAL 17 1.249 0.565 -2.087 91 HA VAL 17 HA VAL 17 3.918 0.815 -3.307 92 HB VAL 17 HB VAL 17 2.573 2.840 -1.512 93 HG11 VAL 17 1HG1 VAL 17 5.374 2.716 -2.615 94 HG12 VAL 17 2HG1 VAL 17 4.652 4.171 -1.927 95 HG13 VAL 17 3HG1 VAL 17 4.884 2.740 -0.922 96 HG21 VAL 17 3HG2 VAL 17 1.704 3.305 -3.587 97 HG22 VAL 17 1HG2 VAL 17 3.179 4.271 -3.627 98 HG23 VAL 17 2HG2 VAL 17 3.127 2.706 -4.439 99 H CYS 18 H CYS 18 2.555 1.483 -0.086 100 HA CYS 18 HA CYS 18 4.768 0.073 1.147 101 HB2 CYS 18 1HB CYS 18 3.712 0.855 3.280 102 HB3 CYS 18 2HB CYS 18 4.128 2.154 2.166 103 H GLY 19 H GLY 19 1.349 -0.380 0.566 104 HA2 GLY 19 1HA GLY 19 0.450 -2.603 0.424 105 HA3 GLY 19 2HA GLY 19 1.604 -3.106 1.650 106 H LYS 20 H LYS 20 -0.353 -0.196 1.837 107 HA LYS 20 HA LYS 20 -1.484 -1.153 4.340 108 HB2 LYS 20 1HB LYS 20 -0.524 1.237 3.782 109 HB3 LYS 20 2HB LYS 20 -2.144 1.514 3.158 110 HG2 LYS 20 1HG LYS 20 -3.126 1.172 5.273 111 HG3 LYS 20 2HG LYS 20 -1.640 0.488 5.935 112 HD2 LYS 20 1HD LYS 20 -1.547 3.259 4.861 113 HD3 LYS 20 2HD LYS 20 -2.360 2.996 6.405 114 HE2 LYS 20 1HE LYS 20 -0.183 1.635 6.953 115 HE3 LYS 20 2HE LYS 20 0.510 2.633 5.676 116 HZ1 LYS 20 3HZ LYS 20 -0.020 3.323 8.353 117 HZ2 LYS 20 1HZ LYS 20 -0.942 4.319 7.343 118 HZ3 LYS 20 2HZ LYS 20 0.737 4.246 7.154 119 H ALA 21 H ALA 21 -3.851 -0.513 4.737 120 HA ALA 21 HA ALA 21 -5.478 -1.070 2.349 121 HB1 ALA 21 3HB ALA 21 -6.711 -2.198 4.673 122 HB2 ALA 21 1HB ALA 21 -6.225 -2.988 3.173 123 HB3 ALA 21 2HB ALA 21 -5.074 -2.833 4.501 124 H PHE 22 H PHE 22 -7.656 -0.304 2.442 125 HA PHE 22 HA PHE 22 -8.388 1.461 4.631 126 HB2 PHE 22 1HB PHE 22 -8.265 2.520 1.803 127 HB3 PHE 22 2HB PHE 22 -8.713 3.413 3.252 128 HD1 PHE 22 HD1 PHE 22 -5.888 1.612 1.657 129 HD2 PHE 22 HD2 PHE 22 -7.102 4.558 4.478 130 HE1 PHE 22 HE1 PHE 22 -3.541 2.286 1.958 131 HE2 PHE 22 HE2 PHE 22 -4.758 5.237 4.783 132 HZ PHE 22 HZ PHE 22 -2.973 4.102 3.522 133 H SER 23 H SER 23 -10.611 2.033 4.644 134 HA SER 23 HA SER 23 -12.303 0.016 3.529 135 HB2 SER 23 1HB SER 23 -12.988 0.753 5.648 136 HB3 SER 23 2HB SER 23 -12.773 2.453 5.229 137 HG SER 23 HG SER 23 -14.944 2.062 5.174 138 H HIS 24 H HIS 24 -11.991 3.524 3.036 139 HA HIS 24 HA HIS 24 -13.528 3.231 0.541 140 HB2 HIS 24 1HB HIS 24 -13.722 5.812 0.816 141 HB3 HIS 24 2HB HIS 24 -14.733 4.766 1.811 142 HD1 HIS 24 HD1 HIS 24 -12.846 7.690 2.139 143 HD2 HIS 24 HD2 HIS 24 -13.139 4.225 4.411 144 HE1 HIS 24 HE1 HIS 24 -12.012 8.315 4.427 145 H ARG 25 H ARG 25 -12.553 3.640 -1.343 146 HA ARG 25 HA ARG 25 -9.875 3.754 -1.741 147 HB2 ARG 25 1HB ARG 25 -11.934 3.695 -3.414 148 HB3 ARG 25 2HB ARG 25 -11.546 5.402 -3.581 149 HG2 ARG 25 1HG ARG 25 -9.391 3.356 -3.863 150 HG3 ARG 25 2HG ARG 25 -10.499 3.669 -5.201 151 HD2 ARG 25 1HD ARG 25 -9.044 5.891 -3.803 152 HD3 ARG 25 2HD ARG 25 -8.301 4.987 -5.122 153 HE ARG 25 HE ARG 25 -10.914 6.092 -5.692 154 HH11 ARG 25 1HH1 ARG 25 -7.464 6.533 -5.837 155 HH12 ARG 25 2HH1 ARG 25 -7.537 7.709 -7.107 156 HH21 ARG 25 1HH2 ARG 25 -11.023 7.639 -7.365 157 HH22 ARG 25 2HH2 ARG 25 -9.562 8.339 -7.975 158 H GLN 26 H GLN 26 -12.021 6.570 -1.437 159 HA GLN 26 HA GLN 26 -10.286 8.626 -1.898 160 HB2 GLN 26 1HB GLN 26 -12.651 8.972 -1.404 161 HB3 GLN 26 2HB GLN 26 -12.393 8.480 0.264 162 HG2 GLN 26 1HG GLN 26 -12.503 10.823 0.291 163 HG3 GLN 26 2HG GLN 26 -10.796 10.420 0.462 164 HE21 GLN 26 1HE2 GLN 26 -13.132 10.954 -2.160 165 HE22 GLN 26 2HE2 GLN 26 -12.097 11.964 -3.105 166 H SER 27 H SER 27 -10.696 6.854 1.149 167 HA SER 27 HA SER 27 -8.944 8.327 2.728 168 HB2 SER 27 1HB SER 27 -10.533 6.237 3.228 169 HB3 SER 27 2HB SER 27 -9.002 5.372 3.099 170 HG SER 27 HG SER 27 -8.291 6.327 4.871 171 H LEU 28 H LEU 28 -8.291 5.529 0.647 172 HA LEU 28 HA LEU 28 -5.566 5.258 1.260 173 HB2 LEU 28 1HB LEU 28 -6.567 3.459 0.154 174 HB3 LEU 28 2HB LEU 28 -7.240 4.492 -1.105 175 HG LEU 28 HG LEU 28 -4.969 4.815 -2.014 176 HD11 LEU 28 1HD1 LEU 28 -3.185 3.270 -1.223 177 HD12 LEU 28 2HD1 LEU 28 -4.210 2.866 0.153 178 HD13 LEU 28 3HD1 LEU 28 -3.627 4.517 -0.057 179 HD21 LEU 28 3HD2 LEU 28 -6.501 2.368 -1.988 180 HD22 LEU 28 1HD2 LEU 28 -4.787 2.049 -2.260 181 HD23 LEU 28 2HD2 LEU 28 -5.658 3.156 -3.323 182 H SER 29 H SER 29 -7.092 6.851 -1.544 183 HA SER 29 HA SER 29 -4.944 7.821 -2.872 184 HB2 SER 29 1HB SER 29 -7.547 9.241 -2.281 185 HB3 SER 29 2HB SER 29 -6.363 9.829 -3.448 186 HG SER 29 HG SER 29 -7.167 7.174 -3.679 187 H VAL 30 H VAL 30 -6.548 9.584 -0.217 188 HA VAL 30 HA VAL 30 -4.785 11.710 -0.026 189 HB VAL 30 HB VAL 30 -6.276 10.358 2.228 190 HG11 VAL 30 1HG1 VAL 30 -4.312 12.005 2.718 191 HG12 VAL 30 2HG1 VAL 30 -5.479 13.235 2.228 192 HG13 VAL 30 3HG1 VAL 30 -5.838 12.168 3.586 193 HG21 VAL 30 3HG2 VAL 30 -8.141 11.408 1.566 194 HG22 VAL 30 1HG2 VAL 30 -7.276 12.894 1.176 195 HG23 VAL 30 2HG2 VAL 30 -7.326 11.571 0.011 196 H HIS 31 H HIS 31 -4.582 8.505 1.452 197 HA HIS 31 HA HIS 31 -2.306 9.025 3.046 198 HB2 HIS 31 1HB HIS 31 -3.360 7.109 3.747 199 HB3 HIS 31 2HB HIS 31 -3.744 6.591 2.109 200 HD1 HIS 31 HD1 HIS 31 -0.911 6.606 4.594 201 HD2 HIS 31 HD2 HIS 31 -1.934 4.851 0.970 202 HE1 HIS 31 HE1 HIS 31 0.830 4.837 4.188 203 H GLN 32 H GLN 32 -2.579 7.233 -0.030 204 HA GLN 32 HA GLN 32 -0.039 6.620 -0.611 205 HB2 GLN 32 1HB GLN 32 -2.251 7.645 -2.330 206 HB3 GLN 32 2HB GLN 32 -0.656 7.463 -3.047 207 HG2 GLN 32 1HG GLN 32 -0.626 5.134 -2.600 208 HG3 GLN 32 2HG GLN 32 -2.065 5.248 -1.588 209 HE21 GLN 32 1HE2 GLN 32 -1.056 4.153 -4.428 210 HE22 GLN 32 2HE2 GLN 32 -2.486 4.339 -5.379 211 H ARG 33 H ARG 33 -1.353 9.856 -0.537 212 HA ARG 33 HA ARG 33 0.485 11.335 -1.914 213 HB2 ARG 33 1HB ARG 33 -0.794 11.985 0.746 214 HB3 ARG 33 2HB ARG 33 0.054 13.155 -0.256 215 HG2 ARG 33 1HG ARG 33 -1.639 12.366 -2.086 216 HG3 ARG 33 2HG ARG 33 -2.583 11.844 -0.689 217 HD2 ARG 33 1HD ARG 33 -1.517 14.628 -1.145 218 HD3 ARG 33 2HD ARG 33 -3.180 14.113 -1.423 219 HE ARG 33 HE ARG 33 -2.852 13.463 1.142 220 HH11 ARG 33 1HH1 ARG 33 -2.047 16.367 -0.600 221 HH12 ARG 33 2HH1 ARG 33 -2.261 17.405 0.770 222 HH21 ARG 33 1HH2 ARG 33 -3.137 14.819 2.954 223 HH22 ARG 33 2HH2 ARG 33 -2.880 16.523 2.792 224 H ILE 34 H ILE 34 0.788 10.182 1.433 225 HA ILE 34 HA ILE 34 3.106 11.332 2.249 226 HB ILE 34 HB ILE 34 3.529 9.434 3.659 227 HG12 ILE 34 1HG1 ILE 34 1.590 7.913 1.903 228 HG13 ILE 34 2HG1 ILE 34 3.335 7.685 1.932 229 HG21 ILE 34 1HG2 ILE 34 1.795 10.303 4.767 230 HG22 ILE 34 2HG2 ILE 34 0.844 10.502 3.296 231 HG23 ILE 34 3HG2 ILE 34 0.868 8.947 4.126 232 HD11 ILE 34 3HD1 ILE 34 2.513 5.951 3.234 233 HD12 ILE 34 1HD1 ILE 34 3.023 7.154 4.418 234 HD13 ILE 34 2HD1 ILE 34 1.313 6.979 4.018 235 H HIS 35 H HIS 35 2.745 8.887 -0.206 236 HA HIS 35 HA HIS 35 5.583 8.338 -0.357 237 HB2 HIS 35 1HB HIS 35 3.489 7.513 -2.365 238 HB3 HIS 35 2HB HIS 35 5.042 6.748 -2.037 239 HD1 HIS 35 HD1 HIS 35 5.017 6.170 0.859 240 HD2 HIS 35 HD2 HIS 35 1.586 5.835 -1.459 241 HE1 HIS 35 HE1 HIS 35 3.502 4.610 2.122 242 H SER 36 H SER 36 4.653 11.084 -0.775 243 HA SER 36 HA SER 36 5.363 11.488 -3.600 244 HB2 SER 36 1HB SER 36 3.831 13.163 -1.623 245 HB3 SER 36 2HB SER 36 4.515 13.876 -3.083 246 HG SER 36 HG SER 36 2.267 12.451 -2.811 247 H GLY 37 H GLY 37 5.962 12.894 -0.377 248 HA2 GLY 37 1HA GLY 37 8.746 13.351 -1.165 249 HA3 GLY 37 2HA GLY 37 7.805 14.742 -0.649 250 H LYS 38 H LYS 38 9.660 12.060 0.339 251 HA LYS 38 HA LYS 38 8.790 12.283 3.123 252 HB2 LYS 38 1HB LYS 38 10.296 10.267 1.537 253 HB3 LYS 38 2HB LYS 38 10.683 10.400 3.248 254 HG2 LYS 38 1HG LYS 38 7.876 10.034 2.242 255 HG3 LYS 38 2HG LYS 38 8.947 8.683 2.622 256 HD2 LYS 38 1HD LYS 38 8.417 10.870 4.609 257 HD3 LYS 38 2HD LYS 38 7.325 9.493 4.444 258 HE2 LYS 38 1HE LYS 38 9.365 8.021 4.754 259 HE3 LYS 38 2HE LYS 38 10.231 9.481 5.228 260 HZ1 LYS 38 3HZ LYS 38 9.145 9.598 7.188 261 HZ2 LYS 38 1HZ LYS 38 8.976 7.930 6.959 262 HZ3 LYS 38 2HZ LYS 38 7.699 8.971 6.574 263 H LYS 39 H LYS 39 11.750 12.514 1.172 264 HA LYS 39 HA LYS 39 13.676 13.688 1.473 265 HB2 LYS 39 1HB LYS 39 12.075 15.551 1.973 266 HB3 LYS 39 2HB LYS 39 12.203 15.138 3.678 267 HG2 LYS 39 1HG LYS 39 14.499 15.743 3.739 268 HG3 LYS 39 2HG LYS 39 14.568 15.893 1.981 269 HD2 LYS 39 1HD LYS 39 13.144 17.818 2.025 270 HD3 LYS 39 2HD LYS 39 12.819 17.601 3.747 271 HE2 LYS 39 1HE LYS 39 15.631 17.958 2.805 272 HE3 LYS 39 2HE LYS 39 14.575 19.363 2.944 273 HZ1 LYS 39 3HZ LYS 39 14.706 17.526 5.215 274 HZ2 LYS 39 1HZ LYS 39 14.504 19.205 5.195 275 HZ3 LYS 39 2HZ LYS 39 16.037 18.535 4.947 276 HA PRO 40 HA PRO 40 14.372 11.008 5.304 277 HB2 PRO 40 1HB PRO 40 15.633 8.962 4.041 278 HB3 PRO 40 2HB PRO 40 13.882 9.013 4.276 279 HG2 PRO 40 1HG PRO 40 15.489 9.717 1.851 280 HG3 PRO 40 2HG PRO 40 13.975 8.801 1.962 281 HD2 PRO 40 1HD PRO 40 14.050 11.409 1.238 282 HD3 PRO 40 2HD PRO 40 12.689 10.706 2.134 283 H SER 41 H SER 41 16.305 10.942 6.395 284 HA SER 41 HA SER 41 18.636 12.038 4.964 285 HB2 SER 41 1HB SER 41 19.364 12.888 7.209 286 HB3 SER 41 2HB SER 41 17.865 13.609 6.625 287 HG SER 41 HG SER 41 16.843 12.762 8.254 288 H GLY 42 H GLY 42 20.764 11.390 5.867 289 HA2 GLY 42 1HA GLY 42 21.379 9.415 7.605 290 HA3 GLY 42 2HA GLY 42 20.819 8.518 6.201 291 HA PRO 43 HA PRO 43 25.389 9.825 5.891 292 HB2 PRO 43 1HB PRO 43 26.527 7.420 6.431 293 HB3 PRO 43 2HB PRO 43 26.185 8.623 7.680 294 HG2 PRO 43 1HG PRO 43 24.617 6.191 6.912 295 HG3 PRO 43 2HG PRO 43 25.003 6.810 8.529 296 HD2 PRO 43 1HD PRO 43 22.596 7.206 7.353 297 HD3 PRO 43 2HD PRO 43 23.321 8.385 8.464 298 H SER 44 H SER 44 26.972 8.885 4.339 299 HA SER 44 HA SER 44 25.550 7.823 2.036 300 HB2 SER 44 1HB SER 44 28.414 8.771 2.303 301 HB3 SER 44 2HB SER 44 27.608 8.348 0.792 302 HG SER 44 HG SER 44 26.007 10.051 1.750 303 H SER 45 H SER 45 26.761 6.180 0.669 304 HA SER 45 HA SER 45 27.226 3.854 2.292 305 HB2 SER 45 1HB SER 45 27.111 4.371 -0.668 306 HB3 SER 45 2HB SER 45 27.687 2.824 -0.047 307 HG SER 45 HG SER 45 25.369 3.641 1.137 308 H GLY 46 H GLY 46 29.123 4.046 3.413 309 HA2 GLY 46 1HA GLY 46 31.488 3.168 2.418 310 HA3 GLY 46 2HA GLY 46 31.556 4.897 2.115 Start of MODEL 19 1 H1 GLY 1 H GLY 1 8.142 -10.162 19.866 2 HA2 GLY 1 1HA GLY 1 7.539 -12.900 19.536 3 HA3 GLY 1 2HA GLY 1 6.339 -12.171 20.593 4 H SER 2 H SER 2 5.236 -13.134 18.472 5 HA SER 2 HA SER 2 5.001 -10.929 16.533 6 HB2 SER 2 1HB SER 2 4.248 -13.832 16.123 7 HB3 SER 2 2HB SER 2 4.254 -12.561 14.901 8 HG SER 2 HG SER 2 6.465 -12.484 15.000 9 H SER 3 H SER 3 3.501 -9.781 17.817 10 HA SER 3 HA SER 3 0.940 -11.080 18.364 11 HB2 SER 3 1HB SER 3 0.419 -8.995 19.614 12 HB3 SER 3 2HB SER 3 1.889 -9.781 20.189 13 HG SER 3 HG SER 3 3.100 -8.266 19.053 14 H GLY 4 H GLY 4 -0.869 -10.701 17.230 15 HA2 GLY 4 1HA GLY 4 -0.789 -8.530 15.225 16 HA3 GLY 4 2HA GLY 4 -1.452 -10.118 14.867 17 H SER 5 H SER 5 -2.949 -7.853 14.448 18 HA SER 5 HA SER 5 -4.683 -7.412 16.719 19 HB2 SER 5 1HB SER 5 -5.856 -5.846 15.286 20 HB3 SER 5 2HB SER 5 -4.121 -5.595 15.103 21 HG SER 5 HG SER 5 -4.271 -6.938 13.201 22 H SER 6 H SER 6 -6.943 -7.854 16.736 23 HA SER 6 HA SER 6 -7.586 -10.367 15.407 24 HB2 SER 6 1HB SER 6 -8.077 -10.436 17.719 25 HB3 SER 6 2HB SER 6 -8.833 -8.843 17.690 26 HG SER 6 HG SER 6 -9.825 -11.263 16.601 27 H GLY 7 H GLY 7 -8.638 -10.360 13.541 28 HA2 GLY 7 1HA GLY 7 -11.075 -9.104 13.072 29 HA3 GLY 7 2HA GLY 7 -9.830 -8.042 12.431 30 H THR 8 H THR 8 -11.482 -11.078 12.073 31 HA THR 8 HA THR 8 -9.891 -12.052 9.909 32 HB THR 8 HB THR 8 -11.150 -13.641 11.216 33 HG1 THR 8 HG1 THR 8 -10.982 -14.401 9.172 34 HG21 THR 8 3HG2 THR 8 -13.210 -11.700 11.039 35 HG22 THR 8 1HG2 THR 8 -13.201 -13.200 11.965 36 HG23 THR 8 2HG2 THR 8 -13.816 -13.188 10.312 37 H GLY 9 H GLY 9 -9.839 -11.212 7.935 38 HA2 GLY 9 1HA GLY 9 -11.478 -10.990 5.968 39 HA3 GLY 9 2HA GLY 9 -12.200 -9.740 6.969 40 H GLU 10 H GLU 10 -11.526 -8.853 4.620 41 HA GLU 10 HA GLU 10 -9.349 -7.041 5.164 42 HB2 GLU 10 1HB GLU 10 -8.024 -7.568 3.221 43 HB3 GLU 10 2HB GLU 10 -8.203 -9.021 4.194 44 HG2 GLU 10 1HG GLU 10 -9.776 -9.947 2.689 45 HG3 GLU 10 2HG GLU 10 -9.946 -8.420 1.824 46 H LYS 11 H LYS 11 -9.188 -5.326 3.545 47 HA LYS 11 HA LYS 11 -11.805 -4.818 2.319 48 HB2 LYS 11 1HB LYS 11 -9.567 -2.991 3.179 49 HB3 LYS 11 2HB LYS 11 -10.909 -2.433 2.189 50 HG2 LYS 11 1HG LYS 11 -11.273 -3.744 4.869 51 HG3 LYS 11 2HG LYS 11 -11.122 -2.000 4.648 52 HD2 LYS 11 1HD LYS 11 -13.104 -1.935 3.303 53 HD3 LYS 11 2HD LYS 11 -13.199 -3.697 3.270 54 HE2 LYS 11 1HE LYS 11 -13.307 -2.137 5.836 55 HE3 LYS 11 2HE LYS 11 -14.751 -2.463 4.879 56 HZ1 LYS 11 3HZ LYS 11 -12.921 -4.563 5.904 57 HZ2 LYS 11 1HZ LYS 11 -14.405 -4.801 5.128 58 HZ3 LYS 11 2HZ LYS 11 -14.358 -4.098 6.665 59 HA PRO 12 HA PRO 12 -10.270 -5.119 -1.784 60 HB2 PRO 12 1HB PRO 12 -11.778 -3.246 -3.043 61 HB3 PRO 12 2HB PRO 12 -12.433 -4.791 -2.487 62 HG2 PRO 12 1HG PRO 12 -12.582 -2.095 -1.194 63 HG3 PRO 12 2HG PRO 12 -13.849 -3.324 -1.368 64 HD2 PRO 12 1HD PRO 12 -12.465 -2.973 0.933 65 HD3 PRO 12 2HD PRO 12 -13.069 -4.560 0.414 66 H TYR 13 H TYR 13 -10.244 -2.013 -0.183 67 HA TYR 13 HA TYR 13 -8.477 -0.834 -2.165 68 HB2 TYR 13 1HB TYR 13 -9.176 0.420 0.475 69 HB3 TYR 13 2HB TYR 13 -8.780 1.206 -1.050 70 HD1 TYR 13 HD1 TYR 13 -11.407 -0.637 0.777 71 HD2 TYR 13 HD2 TYR 13 -10.466 1.679 -2.666 72 HE1 TYR 13 HE1 TYR 13 -13.805 -0.420 0.275 73 HE2 TYR 13 HE2 TYR 13 -12.861 1.903 -3.177 74 HH TYR 13 HH TYR 13 -15.188 0.011 -1.948 75 H GLU 14 H GLU 14 -6.483 -1.711 -2.104 76 HA GLU 14 HA GLU 14 -5.025 -1.521 0.442 77 HB2 GLU 14 1HB GLU 14 -5.580 -3.874 0.067 78 HB3 GLU 14 2HB GLU 14 -4.862 -3.802 -1.536 79 HG2 GLU 14 1HG GLU 14 -2.677 -3.342 -0.527 80 HG3 GLU 14 2HG GLU 14 -3.405 -3.452 1.075 81 H CYS 15 H CYS 15 -3.306 -0.258 0.267 82 HA CYS 15 HA CYS 15 -2.459 0.875 -2.165 83 HB2 CYS 15 1HB CYS 15 -2.140 1.623 0.358 84 HB3 CYS 15 2HB CYS 15 -0.604 0.784 0.172 85 H SER 16 H SER 16 -0.187 0.782 -2.988 86 HA SER 16 HA SER 16 0.845 -1.978 -2.888 87 HB2 SER 16 1HB SER 16 0.786 -0.114 -5.274 88 HB3 SER 16 2HB SER 16 1.505 -1.724 -5.251 89 HG SER 16 HG SER 16 -1.198 -1.320 -4.552 90 H VAL 17 H VAL 17 1.755 1.364 -3.726 91 HA VAL 17 HA VAL 17 4.455 1.217 -3.849 92 HB VAL 17 HB VAL 17 4.530 3.498 -2.769 93 HG11 VAL 17 1HG1 VAL 17 2.481 4.060 -4.646 94 HG12 VAL 17 2HG1 VAL 17 4.229 4.154 -4.868 95 HG13 VAL 17 3HG1 VAL 17 3.373 2.653 -5.225 96 HG21 VAL 17 3HG2 VAL 17 2.822 3.632 -1.238 97 HG22 VAL 17 1HG2 VAL 17 2.093 4.460 -2.614 98 HG23 VAL 17 2HG2 VAL 17 1.679 2.779 -2.274 99 H CYS 18 H CYS 18 2.615 1.618 -0.822 100 HA CYS 18 HA CYS 18 5.019 0.821 0.669 101 HB2 CYS 18 1HB CYS 18 4.032 1.867 2.604 102 HB3 CYS 18 2HB CYS 18 3.949 2.999 1.258 103 H GLY 19 H GLY 19 1.524 0.218 0.452 104 HA2 GLY 19 1HA GLY 19 0.696 -2.048 0.465 105 HA3 GLY 19 2HA GLY 19 2.031 -2.481 1.522 106 H LYS 20 H LYS 20 -0.976 -0.625 1.367 107 HA LYS 20 HA LYS 20 -1.395 -1.233 4.209 108 HB2 LYS 20 1HB LYS 20 -0.634 1.213 3.607 109 HB3 LYS 20 2HB LYS 20 -2.313 1.398 3.117 110 HG2 LYS 20 1HG LYS 20 -3.110 1.108 5.275 111 HG3 LYS 20 2HG LYS 20 -1.631 0.311 5.819 112 HD2 LYS 20 1HD LYS 20 -0.420 2.386 5.743 113 HD3 LYS 20 2HD LYS 20 -1.794 3.211 5.004 114 HE2 LYS 20 1HE LYS 20 -3.111 2.681 7.063 115 HE3 LYS 20 2HE LYS 20 -1.624 2.074 7.790 116 HZ1 LYS 20 3HZ LYS 20 -0.639 4.263 7.517 117 HZ2 LYS 20 1HZ LYS 20 -2.056 4.358 8.437 118 HZ3 LYS 20 2HZ LYS 20 -2.064 4.845 6.817 119 H ALA 21 H ALA 21 -3.777 -0.618 4.792 120 HA ALA 21 HA ALA 21 -5.536 -1.425 2.572 121 HB1 ALA 21 3HB ALA 21 -5.153 -2.680 5.202 122 HB2 ALA 21 1HB ALA 21 -6.832 -2.453 4.712 123 HB3 ALA 21 2HB ALA 21 -5.730 -3.370 3.685 124 H PHE 22 H PHE 22 -7.668 -0.625 2.627 125 HA PHE 22 HA PHE 22 -8.369 1.302 4.692 126 HB2 PHE 22 1HB PHE 22 -8.299 2.094 1.773 127 HB3 PHE 22 2HB PHE 22 -8.802 3.107 3.122 128 HD1 PHE 22 HD1 PHE 22 -5.962 1.611 1.375 129 HD2 PHE 22 HD2 PHE 22 -7.179 4.092 4.613 130 HE1 PHE 22 HE1 PHE 22 -3.648 2.407 1.632 131 HE2 PHE 22 HE2 PHE 22 -4.867 4.892 4.873 132 HZ PHE 22 HZ PHE 22 -3.098 4.050 3.381 133 H SER 23 H SER 23 -10.622 2.090 4.438 134 HA SER 23 HA SER 23 -12.299 -0.084 3.421 135 HB2 SER 23 1HB SER 23 -12.684 2.059 5.487 136 HB3 SER 23 2HB SER 23 -14.086 1.269 4.765 137 HG SER 23 HG SER 23 -12.070 0.189 6.393 138 H HIS 24 H HIS 24 -11.423 3.162 2.768 139 HA HIS 24 HA HIS 24 -13.428 3.260 0.626 140 HB2 HIS 24 1HB HIS 24 -13.776 4.765 2.825 141 HB3 HIS 24 2HB HIS 24 -12.717 5.838 1.915 142 HD1 HIS 24 HD1 HIS 24 -13.721 7.084 -0.044 143 HD2 HIS 24 HD2 HIS 24 -16.293 4.248 1.569 144 HE1 HIS 24 HE1 HIS 24 -15.950 7.500 -1.133 145 H ARG 25 H ARG 25 -12.867 4.898 -1.059 146 HA ARG 25 HA ARG 25 -10.143 4.544 -1.851 147 HB2 ARG 25 1HB ARG 25 -12.584 5.761 -3.033 148 HB3 ARG 25 2HB ARG 25 -11.033 6.306 -3.657 149 HG2 ARG 25 1HG ARG 25 -11.536 3.383 -3.430 150 HG3 ARG 25 2HG ARG 25 -12.298 4.285 -4.741 151 HD2 ARG 25 1HD ARG 25 -9.344 4.237 -4.134 152 HD3 ARG 25 2HD ARG 25 -10.139 3.308 -5.404 153 HE ARG 25 HE ARG 25 -10.590 6.148 -5.563 154 HH11 ARG 25 1HH1 ARG 25 -8.507 3.508 -6.467 155 HH12 ARG 25 2HH1 ARG 25 -7.847 4.329 -7.842 156 HH21 ARG 25 1HH2 ARG 25 -9.728 7.238 -7.371 157 HH22 ARG 25 2HH2 ARG 25 -8.541 6.451 -8.355 158 H GLN 26 H GLN 26 -12.097 7.446 -1.149 159 HA GLN 26 HA GLN 26 -10.334 9.451 -1.421 160 HB2 GLN 26 1HB GLN 26 -12.587 9.826 -0.599 161 HB3 GLN 26 2HB GLN 26 -12.192 9.047 0.928 162 HG2 GLN 26 1HG GLN 26 -10.473 10.853 1.272 163 HG3 GLN 26 2HG GLN 26 -11.181 11.674 -0.118 164 HE21 GLN 26 1HE2 GLN 26 -11.613 13.402 1.379 165 HE22 GLN 26 2HE2 GLN 26 -13.014 13.332 2.388 166 H SER 27 H SER 27 -10.387 7.169 1.277 167 HA SER 27 HA SER 27 -8.337 8.407 2.782 168 HB2 SER 27 1HB SER 27 -9.415 5.586 2.750 169 HB3 SER 27 2HB SER 27 -8.159 6.114 3.870 170 HG SER 27 HG SER 27 -10.342 7.777 3.767 171 H LEU 28 H LEU 28 -8.221 5.441 0.799 172 HA LEU 28 HA LEU 28 -5.504 4.992 0.889 173 HB2 LEU 28 1HB LEU 28 -6.871 3.336 -0.071 174 HB3 LEU 28 2HB LEU 28 -7.539 4.460 -1.252 175 HG LEU 28 HG LEU 28 -5.355 4.509 -2.399 176 HD11 LEU 28 1HD1 LEU 28 -3.666 2.826 -1.810 177 HD12 LEU 28 2HD1 LEU 28 -4.609 2.394 -0.384 178 HD13 LEU 28 3HD1 LEU 28 -3.908 4.006 -0.522 179 HD21 LEU 28 3HD2 LEU 28 -6.459 2.985 -3.598 180 HD22 LEU 28 1HD2 LEU 28 -7.125 2.212 -2.159 181 HD23 LEU 28 2HD2 LEU 28 -5.511 1.779 -2.726 182 H SER 29 H SER 29 -7.285 6.898 -1.534 183 HA SER 29 HA SER 29 -5.148 7.670 -3.117 184 HB2 SER 29 1HB SER 29 -7.599 8.085 -3.566 185 HB3 SER 29 2HB SER 29 -7.503 9.445 -2.446 186 HG SER 29 HG SER 29 -6.390 9.143 -4.992 187 H VAL 30 H VAL 30 -6.660 9.768 -0.658 188 HA VAL 30 HA VAL 30 -4.742 11.733 -0.566 189 HB VAL 30 HB VAL 30 -6.349 10.678 1.765 190 HG11 VAL 30 1HG1 VAL 30 -4.755 12.005 2.783 191 HG12 VAL 30 2HG1 VAL 30 -4.642 13.106 1.408 192 HG13 VAL 30 3HG1 VAL 30 -6.050 13.161 2.471 193 HG21 VAL 30 3HG2 VAL 30 -8.136 11.680 0.892 194 HG22 VAL 30 1HG2 VAL 30 -7.235 13.170 0.613 195 HG23 VAL 30 2HG2 VAL 30 -7.212 11.887 -0.596 196 H HIS 31 H HIS 31 -4.765 8.632 1.118 197 HA HIS 31 HA HIS 31 -2.563 9.069 2.797 198 HB2 HIS 31 1HB HIS 31 -3.663 7.158 3.413 199 HB3 HIS 31 2HB HIS 31 -3.995 6.684 1.750 200 HD1 HIS 31 HD1 HIS 31 -1.118 6.731 4.220 201 HD2 HIS 31 HD2 HIS 31 -2.331 4.763 0.767 202 HE1 HIS 31 HE1 HIS 31 0.556 4.886 3.873 203 H GLN 32 H GLN 32 -2.708 7.516 -0.405 204 HA GLN 32 HA GLN 32 -0.131 6.796 -0.813 205 HB2 GLN 32 1HB GLN 32 -2.109 8.050 -2.699 206 HB3 GLN 32 2HB GLN 32 -0.511 7.564 -3.249 207 HG2 GLN 32 1HG GLN 32 -1.010 5.268 -2.390 208 HG3 GLN 32 2HG GLN 32 -2.664 5.808 -2.103 209 HE21 GLN 32 1HE2 GLN 32 -4.049 5.434 -3.670 210 HE22 GLN 32 2HE2 GLN 32 -3.665 5.200 -5.338 211 H ARG 33 H ARG 33 -1.318 10.014 -0.453 212 HA ARG 33 HA ARG 33 0.656 11.496 -1.742 213 HB2 ARG 33 1HB ARG 33 -0.890 12.125 0.778 214 HB3 ARG 33 2HB ARG 33 0.090 13.293 -0.098 215 HG2 ARG 33 1HG ARG 33 -1.342 12.907 -2.094 216 HG3 ARG 33 2HG ARG 33 -2.376 11.886 -1.092 217 HD2 ARG 33 1HD ARG 33 -3.278 14.144 -1.263 218 HD3 ARG 33 2HD ARG 33 -2.805 13.777 0.395 219 HE ARG 33 HE ARG 33 -0.618 15.004 -0.524 220 HH11 ARG 33 1HH1 ARG 33 -3.990 15.839 -0.753 221 HH12 ARG 33 2HH1 ARG 33 -3.698 17.547 -0.786 222 HH21 ARG 33 1HH2 ARG 33 -0.221 17.249 -0.566 223 HH22 ARG 33 2HH2 ARG 33 -1.555 18.348 -0.680 224 H ILE 34 H ILE 34 0.584 10.211 1.564 225 HA ILE 34 HA ILE 34 2.829 11.308 2.654 226 HB ILE 34 HB ILE 34 3.001 9.446 4.110 227 HG12 ILE 34 1HG1 ILE 34 1.344 7.820 2.174 228 HG13 ILE 34 2HG1 ILE 34 3.101 7.743 2.257 229 HG21 ILE 34 1HG2 ILE 34 0.227 8.909 3.909 230 HG22 ILE 34 2HG2 ILE 34 1.056 10.004 5.015 231 HG23 ILE 34 3HG2 ILE 34 0.486 10.593 3.453 232 HD11 ILE 34 3HD1 ILE 34 2.774 7.149 4.717 233 HD12 ILE 34 1HD1 ILE 34 1.089 6.859 4.288 234 HD13 ILE 34 2HD1 ILE 34 2.370 5.926 3.512 235 H HIS 35 H HIS 35 2.670 9.124 0.000 236 HA HIS 35 HA HIS 35 5.454 8.334 0.183 237 HB2 HIS 35 1HB HIS 35 3.582 7.860 -2.136 238 HB3 HIS 35 2HB HIS 35 5.039 6.962 -1.722 239 HD1 HIS 35 HD1 HIS 35 4.593 6.204 1.140 240 HD2 HIS 35 HD2 HIS 35 1.548 6.143 -1.686 241 HE1 HIS 35 HE1 HIS 35 2.868 4.613 2.044 242 H SER 36 H SER 36 4.654 11.186 -0.155 243 HA SER 36 HA SER 36 5.933 11.741 -2.747 244 HB2 SER 36 1HB SER 36 4.018 13.346 -1.060 245 HB3 SER 36 2HB SER 36 4.969 14.089 -2.346 246 HG SER 36 HG SER 36 3.307 11.829 -2.743 247 H GLY 37 H GLY 37 7.801 12.875 -2.849 248 HA2 GLY 37 1HA GLY 37 8.771 14.575 -0.802 249 HA3 GLY 37 2HA GLY 37 9.519 12.991 -0.661 250 H LYS 38 H LYS 38 9.849 12.269 -3.284 251 HA LYS 38 HA LYS 38 11.960 14.115 -4.090 252 HB2 LYS 38 1HB LYS 38 11.297 11.358 -5.141 253 HB3 LYS 38 2HB LYS 38 12.730 12.299 -5.535 254 HG2 LYS 38 1HG LYS 38 13.713 11.912 -3.506 255 HG3 LYS 38 2HG LYS 38 12.171 11.681 -2.679 256 HD2 LYS 38 1HD LYS 38 11.954 9.562 -4.122 257 HD3 LYS 38 2HD LYS 38 13.682 9.760 -4.422 258 HE2 LYS 38 1HE LYS 38 14.223 9.457 -2.164 259 HE3 LYS 38 2HE LYS 38 12.567 9.751 -1.637 260 HZ1 LYS 38 3HZ LYS 38 12.050 7.617 -1.897 261 HZ2 LYS 38 1HZ LYS 38 13.709 7.313 -2.026 262 HZ3 LYS 38 2HZ LYS 38 12.777 7.522 -3.421 263 H LYS 39 H LYS 39 12.250 14.623 -6.386 264 HA LYS 39 HA LYS 39 9.679 15.266 -7.613 265 HB2 LYS 39 1HB LYS 39 11.421 17.033 -7.280 266 HB3 LYS 39 2HB LYS 39 12.444 16.176 -8.426 267 HG2 LYS 39 1HG LYS 39 11.444 17.875 -9.674 268 HG3 LYS 39 2HG LYS 39 10.520 16.425 -10.078 269 HD2 LYS 39 1HD LYS 39 8.692 17.089 -8.777 270 HD3 LYS 39 2HD LYS 39 9.646 18.271 -7.878 271 HE2 LYS 39 1HE LYS 39 9.243 18.553 -10.833 272 HE3 LYS 39 2HE LYS 39 8.006 19.098 -9.701 273 HZ1 LYS 39 3HZ LYS 39 10.314 20.140 -8.703 274 HZ2 LYS 39 1HZ LYS 39 9.160 20.980 -9.612 275 HZ3 LYS 39 2HZ LYS 39 10.511 20.306 -10.375 276 HA PRO 40 HA PRO 40 10.317 11.759 -10.328 277 HB2 PRO 40 1HB PRO 40 7.923 11.989 -11.587 278 HB3 PRO 40 2HB PRO 40 8.100 11.266 -9.983 279 HG2 PRO 40 1HG PRO 40 7.233 14.033 -10.728 280 HG3 PRO 40 2HG PRO 40 6.558 12.940 -9.505 281 HD2 PRO 40 1HD PRO 40 8.230 14.975 -8.877 282 HD3 PRO 40 2HD PRO 40 8.193 13.453 -7.963 283 H SER 41 H SER 41 8.823 14.763 -11.550 284 HA SER 41 HA SER 41 10.847 15.152 -13.514 285 HB2 SER 41 1HB SER 41 8.255 13.884 -14.336 286 HB3 SER 41 2HB SER 41 9.083 14.980 -15.442 287 HG SER 41 HG SER 41 10.992 13.526 -14.831 288 H GLY 42 H GLY 42 10.110 16.934 -15.117 289 HA2 GLY 42 1HA GLY 42 8.001 18.622 -14.827 290 HA3 GLY 42 2HA GLY 42 9.065 19.086 -13.507 291 HA PRO 43 HA PRO 43 10.213 21.252 -17.546 292 HB2 PRO 43 1HB PRO 43 9.581 23.773 -16.761 293 HB3 PRO 43 2HB PRO 43 8.426 22.697 -17.555 294 HG2 PRO 43 1HG PRO 43 8.744 23.317 -14.644 295 HG3 PRO 43 2HG PRO 43 7.258 23.173 -15.602 296 HD2 PRO 43 1HD PRO 43 8.158 21.183 -14.001 297 HD3 PRO 43 2HD PRO 43 7.270 20.870 -15.506 298 H SER 44 H SER 44 11.171 20.983 -14.412 299 HA SER 44 HA SER 44 12.792 22.926 -13.600 300 HB2 SER 44 1HB SER 44 14.261 21.310 -12.625 301 HB3 SER 44 2HB SER 44 12.657 20.578 -12.659 302 HG SER 44 HG SER 44 14.846 20.076 -14.383 303 H SER 45 H SER 45 14.786 23.822 -14.051 304 HA SER 45 HA SER 45 15.516 24.033 -16.758 305 HB2 SER 45 1HB SER 45 17.407 25.354 -15.971 306 HB3 SER 45 2HB SER 45 15.962 25.782 -15.054 307 HG SER 45 HG SER 45 17.713 23.801 -14.094 308 H GLY 46 H GLY 46 16.572 22.637 -17.993 309 HA2 GLY 46 1HA GLY 46 17.814 20.792 -18.603 310 HA3 GLY 46 2HA GLY 46 19.031 21.529 -17.571 Start of MODEL 20 1 H1 GLY 1 H GLY 1 10.490 -5.845 14.272 2 HA2 GLY 1 1HA GLY 1 8.681 -6.756 16.410 3 HA3 GLY 1 2HA GLY 1 8.813 -5.103 15.828 4 H SER 2 H SER 2 6.426 -6.735 16.123 5 HA SER 2 HA SER 2 5.306 -6.256 13.509 6 HB2 SER 2 1HB SER 2 6.250 -8.555 13.302 7 HB3 SER 2 2HB SER 2 5.219 -9.064 14.639 8 HG SER 2 HG SER 2 4.590 -9.002 12.104 9 H SER 3 H SER 3 2.958 -6.497 13.485 10 HA SER 3 HA SER 3 1.662 -6.745 16.084 11 HB2 SER 3 1HB SER 3 2.379 -4.282 15.541 12 HB3 SER 3 2HB SER 3 0.996 -4.320 14.449 13 HG SER 3 HG SER 3 0.166 -5.339 16.718 14 H GLY 4 H GLY 4 -0.688 -6.863 15.923 15 HA2 GLY 4 1HA GLY 4 -1.537 -7.808 13.254 16 HA3 GLY 4 2HA GLY 4 -2.081 -8.535 14.759 17 H SER 5 H SER 5 -3.967 -7.802 12.990 18 HA SER 5 HA SER 5 -5.438 -5.820 14.469 19 HB2 SER 5 1HB SER 5 -4.411 -5.248 11.702 20 HB3 SER 5 2HB SER 5 -5.921 -4.532 12.263 21 HG SER 5 HG SER 5 -4.748 -3.639 14.016 22 H SER 6 H SER 6 -7.632 -5.427 13.302 23 HA SER 6 HA SER 6 -8.563 -7.500 11.563 24 HB2 SER 6 1HB SER 6 -10.196 -8.471 13.183 25 HB3 SER 6 2HB SER 6 -8.518 -8.823 13.594 26 HG SER 6 HG SER 6 -10.189 -6.843 14.753 27 H GLY 7 H GLY 7 -10.305 -6.808 10.467 28 HA2 GLY 7 1HA GLY 7 -11.925 -4.647 11.644 29 HA3 GLY 7 2HA GLY 7 -11.260 -4.468 10.027 30 H THR 8 H THR 8 -14.017 -5.084 11.574 31 HA THR 8 HA THR 8 -15.055 -7.366 10.264 32 HB THR 8 HB THR 8 -16.092 -6.472 12.294 33 HG1 THR 8 HG1 THR 8 -17.513 -6.864 9.931 34 HG21 THR 8 3HG2 THR 8 -15.916 -4.014 10.956 35 HG22 THR 8 1HG2 THR 8 -16.619 -4.319 12.543 36 HG23 THR 8 2HG2 THR 8 -17.640 -4.354 11.106 37 H GLY 9 H GLY 9 -15.349 -7.575 8.146 38 HA2 GLY 9 1HA GLY 9 -16.945 -6.702 6.379 39 HA3 GLY 9 2HA GLY 9 -16.100 -5.176 6.596 40 H GLU 10 H GLU 10 -15.614 -5.258 4.328 41 HA GLU 10 HA GLU 10 -13.281 -6.958 3.771 42 HB2 GLU 10 1HB GLU 10 -15.745 -6.570 2.121 43 HB3 GLU 10 2HB GLU 10 -14.207 -6.827 1.311 44 HG2 GLU 10 1HG GLU 10 -13.960 -8.895 2.760 45 HG3 GLU 10 2HG GLU 10 -15.660 -8.676 3.171 46 H LYS 11 H LYS 11 -11.590 -5.967 2.799 47 HA LYS 11 HA LYS 11 -11.937 -3.123 2.110 48 HB2 LYS 11 1HB LYS 11 -9.521 -4.566 3.212 49 HB3 LYS 11 2HB LYS 11 -9.507 -2.896 2.661 50 HG2 LYS 11 1HG LYS 11 -11.382 -2.519 4.364 51 HG3 LYS 11 2HG LYS 11 -10.893 -4.075 5.040 52 HD2 LYS 11 1HD LYS 11 -8.495 -2.967 4.921 53 HD3 LYS 11 2HD LYS 11 -9.440 -1.478 4.986 54 HE2 LYS 11 1HE LYS 11 -9.635 -3.750 6.961 55 HE3 LYS 11 2HE LYS 11 -8.727 -2.261 7.216 56 HZ1 LYS 11 3HZ LYS 11 -11.165 -1.340 6.546 57 HZ2 LYS 11 1HZ LYS 11 -10.617 -1.543 8.134 58 HZ3 LYS 11 2HZ LYS 11 -11.563 -2.741 7.406 59 HA PRO 12 HA PRO 12 -10.894 -5.078 -1.886 60 HB2 PRO 12 1HB PRO 12 -12.171 -3.196 -3.370 61 HB3 PRO 12 2HB PRO 12 -13.005 -4.572 -2.640 62 HG2 PRO 12 1HG PRO 12 -12.814 -1.744 -1.677 63 HG3 PRO 12 2HG PRO 12 -14.223 -2.821 -1.713 64 HD2 PRO 12 1HD PRO 12 -12.789 -2.372 0.540 65 HD3 PRO 12 2HD PRO 12 -13.587 -3.924 0.209 66 H TYR 13 H TYR 13 -10.029 -2.236 -0.316 67 HA TYR 13 HA TYR 13 -8.193 -1.480 -2.494 68 HB2 TYR 13 1HB TYR 13 -9.044 0.325 -0.233 69 HB3 TYR 13 2HB TYR 13 -8.248 0.773 -1.737 70 HD1 TYR 13 HD2 TYR 13 -9.526 0.742 -3.867 71 HD2 TYR 13 HD1 TYR 13 -11.415 0.097 -0.109 72 HE1 TYR 13 HE2 TYR 13 -11.713 1.201 -4.894 73 HE2 TYR 13 HE1 TYR 13 -13.608 0.553 -1.126 74 HH TYR 13 HH TYR 13 -14.379 0.345 -4.002 75 H GLU 14 H GLU 14 -6.056 -1.512 -2.116 76 HA GLU 14 HA GLU 14 -4.984 -1.405 0.560 77 HB2 GLU 14 1HB GLU 14 -5.365 -3.700 0.680 78 HB3 GLU 14 2HB GLU 14 -5.033 -3.945 -1.029 79 HG2 GLU 14 1HG GLU 14 -2.829 -3.008 0.731 80 HG3 GLU 14 2HG GLU 14 -3.329 -4.696 0.816 81 H CYS 15 H CYS 15 -3.330 -0.063 0.354 82 HA CYS 15 HA CYS 15 -2.120 0.655 -2.059 83 HB2 CYS 15 1HB CYS 15 -2.113 1.766 0.349 84 HB3 CYS 15 2HB CYS 15 -0.582 0.907 0.488 85 H SER 16 H SER 16 -0.070 0.210 -2.932 86 HA SER 16 HA SER 16 1.037 -2.392 -2.105 87 HB2 SER 16 1HB SER 16 0.988 -1.060 -4.821 88 HB3 SER 16 2HB SER 16 1.889 -2.533 -4.465 89 HG SER 16 HG SER 16 -0.900 -2.258 -4.038 90 H VAL 17 H VAL 17 1.910 0.810 -3.361 91 HA VAL 17 HA VAL 17 4.624 0.701 -3.439 92 HB VAL 17 HB VAL 17 4.588 3.112 -2.578 93 HG11 VAL 17 1HG1 VAL 17 2.647 2.834 -4.813 94 HG12 VAL 17 2HG1 VAL 17 4.079 3.857 -4.678 95 HG13 VAL 17 3HG1 VAL 17 4.254 2.133 -5.008 96 HG21 VAL 17 3HG2 VAL 17 2.365 4.164 -2.496 97 HG22 VAL 17 1HG2 VAL 17 1.621 2.572 -2.650 98 HG23 VAL 17 2HG2 VAL 17 2.579 2.964 -1.222 99 H CYS 18 H CYS 18 2.613 0.965 -0.555 100 HA CYS 18 HA CYS 18 5.029 0.545 1.082 101 HB2 CYS 18 1HB CYS 18 4.033 1.823 2.858 102 HB3 CYS 18 2HB CYS 18 3.956 2.788 1.387 103 H GLY 19 H GLY 19 1.625 -0.218 0.606 104 HA2 GLY 19 1HA GLY 19 0.775 -2.418 0.932 105 HA3 GLY 19 2HA GLY 19 2.051 -2.705 2.106 106 H LYS 20 H LYS 20 -0.784 -0.608 1.606 107 HA LYS 20 HA LYS 20 -1.439 -0.999 4.451 108 HB2 LYS 20 1HB LYS 20 -0.557 1.343 3.664 109 HB3 LYS 20 2HB LYS 20 -2.186 1.528 3.026 110 HG2 LYS 20 1HG LYS 20 -3.136 1.635 5.096 111 HG3 LYS 20 2HG LYS 20 -1.878 0.650 5.847 112 HD2 LYS 20 1HD LYS 20 -0.306 2.559 5.572 113 HD3 LYS 20 2HD LYS 20 -1.655 3.532 4.980 114 HE2 LYS 20 1HE LYS 20 -2.815 2.888 7.181 115 HE3 LYS 20 2HE LYS 20 -1.211 2.395 7.723 116 HZ1 LYS 20 3HZ LYS 20 -0.439 4.666 7.179 117 HZ2 LYS 20 1HZ LYS 20 -1.601 4.633 8.407 118 HZ3 LYS 20 2HZ LYS 20 -2.037 5.107 6.843 119 H ALA 21 H ALA 21 -3.786 -0.500 4.908 120 HA ALA 21 HA ALA 21 -5.489 -1.267 2.631 121 HB1 ALA 21 3HB ALA 21 -4.960 -2.797 4.954 122 HB2 ALA 21 1HB ALA 21 -6.634 -2.250 5.041 123 HB3 ALA 21 2HB ALA 21 -6.073 -3.156 3.635 124 H PHE 22 H PHE 22 -7.594 -0.440 2.621 125 HA PHE 22 HA PHE 22 -8.378 1.397 4.740 126 HB2 PHE 22 1HB PHE 22 -8.293 2.328 1.868 127 HB3 PHE 22 2HB PHE 22 -8.698 3.283 3.290 128 HD1 PHE 22 HD1 PHE 22 -5.955 1.571 1.518 129 HD2 PHE 22 HD2 PHE 22 -7.020 4.305 4.602 130 HE1 PHE 22 HE1 PHE 22 -3.599 2.248 1.727 131 HE2 PHE 22 HE2 PHE 22 -4.666 4.986 4.815 132 HZ PHE 22 HZ PHE 22 -2.951 3.958 3.377 133 H SER 23 H SER 23 -10.622 2.161 4.478 134 HA SER 23 HA SER 23 -12.279 0.001 3.476 135 HB2 SER 23 1HB SER 23 -14.081 1.712 4.481 136 HB3 SER 23 2HB SER 23 -13.155 0.611 5.501 137 HG SER 23 HG SER 23 -13.070 3.340 5.342 138 H HIS 24 H HIS 24 -11.921 3.495 2.967 139 HA HIS 24 HA HIS 24 -13.478 3.212 0.481 140 HB2 HIS 24 1HB HIS 24 -14.123 4.834 2.532 141 HB3 HIS 24 2HB HIS 24 -13.058 5.913 1.634 142 HD1 HIS 24 HD1 HIS 24 -14.032 7.060 -0.364 143 HD2 HIS 24 HD2 HIS 24 -16.407 3.929 0.981 144 HE1 HIS 24 HE1 HIS 24 -16.157 7.207 -1.700 145 H ARG 25 H ARG 25 -12.847 4.762 -1.256 146 HA ARG 25 HA ARG 25 -10.097 4.481 -1.854 147 HB2 ARG 25 1HB ARG 25 -12.444 5.773 -3.145 148 HB3 ARG 25 2HB ARG 25 -10.849 6.292 -3.671 149 HG2 ARG 25 1HG ARG 25 -10.397 3.738 -3.904 150 HG3 ARG 25 2HG ARG 25 -12.158 3.628 -3.941 151 HD2 ARG 25 1HD ARG 25 -12.023 5.461 -5.740 152 HD3 ARG 25 2HD ARG 25 -10.316 5.030 -5.848 153 HE ARG 25 HE ARG 25 -11.518 2.646 -6.113 154 HH11 ARG 25 1HH1 ARG 25 -12.063 5.717 -7.658 155 HH12 ARG 25 2HH1 ARG 25 -12.625 5.019 -9.141 156 HH21 ARG 25 1HH2 ARG 25 -12.256 1.714 -8.060 157 HH22 ARG 25 2HH2 ARG 25 -12.736 2.742 -9.368 158 H GLN 26 H GLN 26 -12.048 7.382 -1.149 159 HA GLN 26 HA GLN 26 -10.309 9.400 -1.300 160 HB2 GLN 26 1HB GLN 26 -12.644 9.497 -0.362 161 HB3 GLN 26 2HB GLN 26 -11.978 8.982 1.182 162 HG2 GLN 26 1HG GLN 26 -12.169 11.306 1.337 163 HG3 GLN 26 2HG GLN 26 -10.458 11.003 1.039 164 HE21 GLN 26 1HE2 GLN 26 -12.433 13.267 0.467 165 HE22 GLN 26 2HE2 GLN 26 -12.123 13.664 -1.185 166 H SER 27 H SER 27 -10.395 7.104 1.407 167 HA SER 27 HA SER 27 -8.332 8.248 2.917 168 HB2 SER 27 1HB SER 27 -10.025 6.266 3.418 169 HB3 SER 27 2HB SER 27 -8.661 5.279 2.894 170 HG SER 27 HG SER 27 -7.517 6.855 4.483 171 H LEU 28 H LEU 28 -8.151 5.398 0.775 172 HA LEU 28 HA LEU 28 -5.413 5.030 0.842 173 HB2 LEU 28 1HB LEU 28 -6.785 3.377 -0.158 174 HB3 LEU 28 2HB LEU 28 -7.418 4.521 -1.339 175 HG LEU 28 HG LEU 28 -5.218 4.593 -2.431 176 HD11 LEU 28 1HD1 LEU 28 -3.581 4.138 -0.901 177 HD12 LEU 28 2HD1 LEU 28 -3.714 2.566 -1.689 178 HD13 LEU 28 3HD1 LEU 28 -4.499 2.843 -0.134 179 HD21 LEU 28 3HD2 LEU 28 -6.096 2.999 -3.699 180 HD22 LEU 28 1HD2 LEU 28 -7.027 2.379 -2.336 181 HD23 LEU 28 2HD2 LEU 28 -5.390 1.790 -2.626 182 H SER 29 H SER 29 -7.310 7.091 -1.332 183 HA SER 29 HA SER 29 -5.198 7.957 -2.957 184 HB2 SER 29 1HB SER 29 -7.672 8.279 -3.383 185 HB3 SER 29 2HB SER 29 -7.624 9.604 -2.221 186 HG SER 29 HG SER 29 -5.732 9.620 -4.267 187 H VAL 30 H VAL 30 -6.737 9.699 -0.248 188 HA VAL 30 HA VAL 30 -4.875 11.786 -0.130 189 HB VAL 30 HB VAL 30 -6.559 10.657 2.110 190 HG11 VAL 30 1HG1 VAL 30 -4.871 11.992 3.098 191 HG12 VAL 30 2HG1 VAL 30 -5.021 13.231 1.850 192 HG13 VAL 30 3HG1 VAL 30 -6.317 12.998 3.024 193 HG21 VAL 30 3HG2 VAL 30 -7.190 12.242 -0.237 194 HG22 VAL 30 1HG2 VAL 30 -8.266 11.437 0.906 195 HG23 VAL 30 2HG2 VAL 30 -7.653 13.053 1.259 196 H HIS 31 H HIS 31 -4.600 8.522 0.820 197 HA HIS 31 HA HIS 31 -2.551 8.959 2.810 198 HB2 HIS 31 1HB HIS 31 -3.648 7.021 3.348 199 HB3 HIS 31 2HB HIS 31 -3.962 6.604 1.666 200 HD1 HIS 31 HD1 HIS 31 -1.009 6.693 4.062 201 HD2 HIS 31 HD2 HIS 31 -2.376 4.619 0.731 202 HE1 HIS 31 HE1 HIS 31 0.655 4.845 3.691 203 H GLN 32 H GLN 32 -2.630 7.349 -0.375 204 HA GLN 32 HA GLN 32 -0.018 6.772 -0.764 205 HB2 GLN 32 1HB GLN 32 -2.078 7.824 -2.680 206 HB3 GLN 32 2HB GLN 32 -0.449 7.451 -3.228 207 HG2 GLN 32 1HG GLN 32 -0.685 5.168 -2.703 208 HG3 GLN 32 2HG GLN 32 -2.150 5.458 -1.767 209 HE21 GLN 32 1HE2 GLN 32 -1.699 3.653 -4.008 210 HE22 GLN 32 2HE2 GLN 32 -2.841 4.101 -5.224 211 H ARG 33 H ARG 33 -1.402 9.932 -0.558 212 HA ARG 33 HA ARG 33 0.402 11.519 -1.899 213 HB2 ARG 33 1HB ARG 33 -0.996 12.024 0.731 214 HB3 ARG 33 2HB ARG 33 -0.116 13.260 -0.158 215 HG2 ARG 33 1HG ARG 33 -1.645 12.801 -2.100 216 HG3 ARG 33 2HG ARG 33 -2.603 11.802 -1.005 217 HD2 ARG 33 1HD ARG 33 -3.677 13.849 -0.883 218 HD3 ARG 33 2HD ARG 33 -2.602 13.900 0.513 219 HE ARG 33 HE ARG 33 -2.375 15.465 -1.929 220 HH11 ARG 33 1HH1 ARG 33 -0.966 14.482 1.099 221 HH12 ARG 33 2HH1 ARG 33 0.142 15.812 1.164 222 HH21 ARG 33 1HH2 ARG 33 -0.921 17.221 -1.854 223 HH22 ARG 33 2HH2 ARG 33 0.166 17.370 -0.515 224 H ILE 34 H ILE 34 0.702 10.127 1.340 225 HA ILE 34 HA ILE 34 2.973 11.381 2.250 226 HB ILE 34 HB ILE 34 3.395 9.473 3.648 227 HG12 ILE 34 1HG1 ILE 34 1.485 7.948 1.863 228 HG13 ILE 34 2HG1 ILE 34 3.234 7.745 1.887 229 HG21 ILE 34 1HG2 ILE 34 0.435 9.831 3.198 230 HG22 ILE 34 2HG2 ILE 34 1.174 9.135 4.639 231 HG23 ILE 34 3HG2 ILE 34 1.463 10.825 4.229 232 HD11 ILE 34 3HD1 ILE 34 2.528 5.997 3.194 233 HD12 ILE 34 1HD1 ILE 34 2.865 7.232 4.407 234 HD13 ILE 34 2HD1 ILE 34 1.203 6.921 3.904 235 H HIS 35 H HIS 35 2.673 9.193 -0.380 236 HA HIS 35 HA HIS 35 5.506 8.544 -0.436 237 HB2 HIS 35 1HB HIS 35 3.477 7.875 -2.563 238 HB3 HIS 35 2HB HIS 35 4.998 7.059 -2.215 239 HD1 HIS 35 HD1 HIS 35 4.813 6.373 0.673 240 HD2 HIS 35 HD2 HIS 35 1.530 6.145 -1.864 241 HE1 HIS 35 HE1 HIS 35 3.222 4.767 1.775 242 H SER 36 H SER 36 4.611 11.327 -0.729 243 HA SER 36 HA SER 36 5.233 11.930 -3.518 244 HB2 SER 36 1HB SER 36 3.340 13.106 -2.461 245 HB3 SER 36 2HB SER 36 4.436 13.781 -1.256 246 HG SER 36 HG SER 36 5.258 14.209 -3.830 247 H GLY 37 H GLY 37 6.499 12.452 -0.261 248 HA2 GLY 37 1HA GLY 37 8.837 13.838 -1.329 249 HA3 GLY 37 2HA GLY 37 8.443 13.619 0.369 250 H LYS 38 H LYS 38 8.439 11.194 1.029 251 HA LYS 38 HA LYS 38 11.079 10.204 0.435 252 HB2 LYS 38 1HB LYS 38 10.539 8.469 2.123 253 HB3 LYS 38 2HB LYS 38 10.297 10.105 2.721 254 HG2 LYS 38 1HG LYS 38 7.886 9.881 2.317 255 HG3 LYS 38 2HG LYS 38 8.147 8.223 1.770 256 HD2 LYS 38 1HD LYS 38 7.493 8.000 4.007 257 HD3 LYS 38 2HD LYS 38 9.251 7.844 4.050 258 HE2 LYS 38 1HE LYS 38 9.493 10.108 4.798 259 HE3 LYS 38 2HE LYS 38 7.775 10.421 4.564 260 HZ1 LYS 38 3HZ LYS 38 7.497 8.503 6.250 261 HZ2 LYS 38 1HZ LYS 38 7.912 10.043 6.815 262 HZ3 LYS 38 2HZ LYS 38 9.100 8.848 6.668 263 H LYS 39 H LYS 39 11.590 8.728 -1.038 264 HA LYS 39 HA LYS 39 9.425 7.081 -2.172 265 HB2 LYS 39 1HB LYS 39 10.301 8.633 -3.815 266 HB3 LYS 39 2HB LYS 39 11.948 8.119 -3.475 267 HG2 LYS 39 1HG LYS 39 11.268 5.822 -4.256 268 HG3 LYS 39 2HG LYS 39 9.767 6.555 -4.826 269 HD2 LYS 39 1HD LYS 39 12.498 7.526 -5.646 270 HD3 LYS 39 2HD LYS 39 11.586 6.318 -6.554 271 HE2 LYS 39 1HE LYS 39 9.749 7.924 -6.819 272 HE3 LYS 39 2HE LYS 39 10.682 9.129 -5.933 273 HZ1 LYS 39 3HZ LYS 39 10.695 8.969 -8.565 274 HZ2 LYS 39 1HZ LYS 39 11.971 7.905 -8.243 275 HZ3 LYS 39 2HZ LYS 39 12.039 9.500 -7.684 276 HA PRO 40 HA PRO 40 12.089 4.015 -0.101 277 HB2 PRO 40 1HB PRO 40 10.099 2.195 0.209 278 HB3 PRO 40 2HB PRO 40 10.350 3.543 1.324 279 HG2 PRO 40 1HG PRO 40 8.399 3.289 -0.932 280 HG3 PRO 40 2HG PRO 40 8.145 3.939 0.698 281 HD2 PRO 40 1HD PRO 40 8.531 5.528 -1.460 282 HD3 PRO 40 2HD PRO 40 9.081 5.977 0.167 283 H SER 41 H SER 41 9.787 3.584 -2.746 284 HA SER 41 HA SER 41 11.654 1.668 -3.966 285 HB2 SER 41 1HB SER 41 9.649 0.514 -2.955 286 HB3 SER 41 2HB SER 41 8.645 1.393 -4.108 287 HG SER 41 HG SER 41 10.406 -0.718 -4.521 288 H GLY 42 H GLY 42 8.637 3.426 -4.728 289 HA2 GLY 42 1HA GLY 42 9.131 5.360 -6.346 290 HA3 GLY 42 2HA GLY 42 9.802 4.085 -7.353 291 HA PRO 43 HA PRO 43 5.171 4.727 -8.108 292 HB2 PRO 43 1HB PRO 43 5.367 5.767 -10.608 293 HB3 PRO 43 2HB PRO 43 5.359 6.766 -9.150 294 HG2 PRO 43 1HG PRO 43 7.678 5.852 -10.808 295 HG3 PRO 43 2HG PRO 43 7.370 7.448 -10.098 296 HD2 PRO 43 1HD PRO 43 9.066 5.659 -8.979 297 HD3 PRO 43 2HD PRO 43 8.112 6.803 -8.013 298 H SER 44 H SER 44 5.033 2.467 -8.205 299 HA SER 44 HA SER 44 5.413 1.347 -10.899 300 HB2 SER 44 1HB SER 44 6.304 -0.682 -10.044 301 HB3 SER 44 2HB SER 44 7.181 0.602 -9.213 302 HG SER 44 HG SER 44 6.547 -0.388 -7.474 303 H SER 45 H SER 45 4.075 -0.577 -11.315 304 HA SER 45 HA SER 45 1.922 -1.327 -11.592 305 HB2 SER 45 1HB SER 45 2.771 -2.784 -9.814 306 HB3 SER 45 2HB SER 45 2.249 -1.620 -8.595 307 HG SER 45 HG SER 45 0.442 -2.750 -10.451 308 H GLY 46 H GLY 46 1.942 1.450 -11.530 309 HA2 GLY 46 1HA GLY 46 -0.145 2.327 -9.707 310 HA3 GLY 46 2HA GLY 46 0.717 3.327 -10.866
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