NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505770 | 2ytt | 10178 | 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 -1.174 -27.285 -16.299 2 HA2 GLY 1 1HA GLY 1 -3.372 -26.584 -17.372 3 HA3 GLY 1 2HA GLY 1 -3.491 -27.056 -15.683 4 H SER 2 H SER 2 -3.256 -25.282 -14.074 5 HA SER 2 HA SER 2 -4.282 -22.732 -15.133 6 HB2 SER 2 1HB SER 2 -5.891 -22.571 -13.411 7 HB3 SER 2 2HB SER 2 -6.006 -24.240 -13.969 8 HG SER 2 HG SER 2 -5.540 -24.822 -12.017 9 H SER 3 H SER 3 -1.587 -23.190 -14.669 10 HA SER 3 HA SER 3 -1.105 -21.338 -12.450 11 HB2 SER 3 1HB SER 3 0.068 -24.069 -12.792 12 HB3 SER 3 2HB SER 3 1.067 -22.797 -12.090 13 HG SER 3 HG SER 3 -0.882 -22.470 -10.673 14 H GLY 4 H GLY 4 0.512 -19.870 -12.798 15 HA2 GLY 4 1HA GLY 4 2.713 -19.604 -14.077 16 HA3 GLY 4 2HA GLY 4 1.718 -19.936 -15.488 17 H SER 5 H SER 5 2.789 -17.764 -15.991 18 HA SER 5 HA SER 5 2.413 -15.364 -14.897 19 HB2 SER 5 1HB SER 5 2.365 -14.374 -17.082 20 HB3 SER 5 2HB SER 5 3.351 -15.832 -17.194 21 HG SER 5 HG SER 5 0.729 -15.387 -18.131 22 H SER 6 H SER 6 -0.124 -17.138 -16.624 23 HA SER 6 HA SER 6 -2.090 -15.167 -15.684 24 HB2 SER 6 1HB SER 6 -2.180 -17.207 -17.910 25 HB3 SER 6 2HB SER 6 -3.610 -16.335 -17.358 26 HG SER 6 HG SER 6 -1.984 -14.438 -17.715 27 H GLY 7 H GLY 7 -2.299 -15.913 -13.559 28 HA2 GLY 7 1HA GLY 7 -3.371 -18.645 -13.259 29 HA3 GLY 7 2HA GLY 7 -2.593 -17.724 -11.980 30 H GLU 8 H GLU 8 -4.463 -18.230 -10.684 31 HA GLU 8 HA GLU 8 -6.852 -16.668 -11.402 32 HB2 GLU 8 1HB GLU 8 -6.459 -19.170 -9.806 33 HB3 GLU 8 2HB GLU 8 -7.844 -18.141 -9.471 34 HG2 GLU 8 1HG GLU 8 -8.617 -18.373 -11.745 35 HG3 GLU 8 2HG GLU 8 -7.184 -19.309 -12.165 36 H GLY 9 H GLY 9 -6.200 -14.671 -10.617 37 HA2 GLY 9 1HA GLY 9 -6.870 -13.849 -8.140 38 HA3 GLY 9 2HA GLY 9 -5.225 -14.420 -7.901 39 H GLU 10 H GLU 10 -6.579 -12.769 -10.725 40 HA GLU 10 HA GLU 10 -4.590 -10.641 -10.309 41 HB2 GLU 10 1HB GLU 10 -4.701 -10.240 -12.710 42 HB3 GLU 10 2HB GLU 10 -4.314 -11.924 -12.386 43 HG2 GLU 10 1HG GLU 10 -5.863 -12.119 -14.062 44 HG3 GLU 10 2HG GLU 10 -6.874 -12.285 -12.628 45 H LYS 11 H LYS 11 -5.203 -8.548 -10.181 46 HA LYS 11 HA LYS 11 -8.087 -7.983 -10.398 47 HB2 LYS 11 1HB LYS 11 -6.026 -6.767 -8.552 48 HB3 LYS 11 2HB LYS 11 -7.676 -6.178 -8.717 49 HG2 LYS 11 1HG LYS 11 -7.174 -9.036 -8.009 50 HG3 LYS 11 2HG LYS 11 -7.067 -7.779 -6.774 51 HD2 LYS 11 1HD LYS 11 -9.459 -8.060 -8.574 52 HD3 LYS 11 2HD LYS 11 -9.317 -8.943 -7.052 53 HE2 LYS 11 1HE LYS 11 -8.895 -5.985 -7.099 54 HE3 LYS 11 2HE LYS 11 -10.535 -6.633 -7.130 55 HZ1 LYS 11 3HZ LYS 11 -10.425 -6.998 -4.963 56 HZ2 LYS 11 1HZ LYS 11 -8.894 -6.278 -4.919 57 HZ3 LYS 11 2HZ LYS 11 -9.036 -7.949 -5.138 58 HA PRO 12 HA PRO 12 -7.194 -4.981 -13.482 59 HB2 PRO 12 1HB PRO 12 -9.273 -3.278 -13.102 60 HB3 PRO 12 2HB PRO 12 -9.461 -4.874 -13.838 61 HG2 PRO 12 1HG PRO 12 -9.995 -4.013 -11.022 62 HG3 PRO 12 2HG PRO 12 -10.963 -5.062 -12.073 63 HD2 PRO 12 1HD PRO 12 -9.329 -6.038 -10.147 64 HD3 PRO 12 2HD PRO 12 -9.638 -6.904 -11.665 65 H TYR 13 H TYR 13 -7.193 -4.241 -10.152 66 HA TYR 13 HA TYR 13 -5.825 -1.692 -10.704 67 HB2 TYR 13 1HB TYR 13 -7.620 -2.288 -8.343 68 HB3 TYR 13 2HB TYR 13 -6.753 -0.783 -8.626 69 HD1 TYR 13 HD2 TYR 13 -7.304 0.445 -10.861 70 HD2 TYR 13 HD1 TYR 13 -9.809 -2.501 -9.086 71 HE1 TYR 13 HE2 TYR 13 -9.220 1.315 -12.134 72 HE2 TYR 13 HE1 TYR 13 -11.732 -1.640 -10.355 73 HH TYR 13 HH TYR 13 -12.330 0.706 -11.424 74 H GLN 14 H GLN 14 -4.464 -4.091 -10.556 75 HA GLN 14 HA GLN 14 -3.344 -4.236 -7.860 76 HB2 GLN 14 1HB GLN 14 -3.940 -6.339 -9.006 77 HB3 GLN 14 2HB GLN 14 -2.795 -5.957 -10.285 78 HG2 GLN 14 1HG GLN 14 -1.020 -5.903 -8.471 79 HG3 GLN 14 2HG GLN 14 -2.226 -6.650 -7.424 80 HE21 GLN 14 1HE2 GLN 14 0.223 -7.829 -8.095 81 HE22 GLN 14 2HE2 GLN 14 -0.094 -9.250 -9.025 82 H CYS 15 H CYS 15 -1.521 -3.237 -7.332 83 HA CYS 15 HA CYS 15 -0.157 -1.464 -8.938 84 HB2 CYS 15 1HB CYS 15 -0.013 -1.667 -6.428 85 HB3 CYS 15 2HB CYS 15 1.105 -3.006 -6.666 86 H SER 16 H SER 16 1.934 -1.514 -9.916 87 HA SER 16 HA SER 16 2.677 -4.192 -10.898 88 HB2 SER 16 1HB SER 16 1.763 -2.574 -12.601 89 HB3 SER 16 2HB SER 16 3.174 -1.559 -12.302 90 HG SER 16 HG SER 16 4.395 -3.576 -12.814 91 H GLU 17 H GLU 17 3.863 -1.109 -9.698 92 HA GLU 17 HA GLU 17 6.597 -1.463 -10.029 93 HB2 GLU 17 1HB GLU 17 5.994 0.662 -9.312 94 HB3 GLU 17 2HB GLU 17 4.933 0.048 -8.052 95 HG2 GLU 17 1HG GLU 17 6.638 -0.258 -6.565 96 HG3 GLU 17 2HG GLU 17 7.847 -0.484 -7.828 97 H CYS 18 H CYS 18 4.603 -2.316 -7.202 98 HA CYS 18 HA CYS 18 6.748 -4.153 -6.360 99 HB2 CYS 18 1HB CYS 18 6.079 -3.835 -4.085 100 HB3 CYS 18 2HB CYS 18 6.239 -2.238 -4.808 101 H GLY 19 H GLY 19 3.242 -3.718 -6.605 102 HA2 GLY 19 1HA GLY 19 1.865 -5.493 -7.467 103 HA3 GLY 19 2HA GLY 19 2.990 -6.648 -6.767 104 H LYS 20 H LYS 20 0.229 -4.645 -6.223 105 HA LYS 20 HA LYS 20 -0.419 -6.138 -3.839 106 HB2 LYS 20 1HB LYS 20 1.044 -3.998 -3.289 107 HB3 LYS 20 2HB LYS 20 -0.500 -3.177 -3.477 108 HG2 LYS 20 1HG LYS 20 -0.579 -3.599 -1.251 109 HG3 LYS 20 2HG LYS 20 -1.306 -5.095 -1.842 110 HD2 LYS 20 1HD LYS 20 1.652 -4.993 -1.550 111 HD3 LYS 20 2HD LYS 20 0.676 -5.104 -0.084 112 HE2 LYS 20 1HE LYS 20 -0.508 -7.053 -1.207 113 HE3 LYS 20 2HE LYS 20 0.788 -7.018 -2.402 114 HZ1 LYS 20 3HZ LYS 20 2.082 -8.139 -1.021 115 HZ2 LYS 20 1HZ LYS 20 0.801 -8.264 0.078 116 HZ3 LYS 20 2HZ LYS 20 1.890 -6.975 0.191 117 H SER 21 H SER 21 -2.465 -6.688 -4.144 118 HA SER 21 HA SER 21 -4.181 -5.169 -5.892 119 HB2 SER 21 1HB SER 21 -4.525 -7.727 -4.336 120 HB3 SER 21 2HB SER 21 -5.869 -6.977 -5.196 121 HG SER 21 HG SER 21 -4.255 -7.001 -7.040 122 H PHE 22 H PHE 22 -6.376 -4.526 -5.250 123 HA PHE 22 HA PHE 22 -6.886 -4.067 -2.446 124 HB2 PHE 22 1HB PHE 22 -6.394 -1.745 -4.321 125 HB3 PHE 22 2HB PHE 22 -7.106 -1.598 -2.717 126 HD1 PHE 22 HD2 PHE 22 -5.712 -2.412 -0.734 127 HD2 PHE 22 HD1 PHE 22 -4.092 -1.682 -4.601 128 HE1 PHE 22 HE2 PHE 22 -3.463 -2.226 0.247 129 HE2 PHE 22 HE1 PHE 22 -1.840 -1.496 -3.627 130 HZ PHE 22 HZ PHE 22 -1.524 -1.767 -1.200 131 H SER 23 H SER 23 -9.034 -3.608 -2.006 132 HA SER 23 HA SER 23 -10.883 -4.298 -4.100 133 HB2 SER 23 1HB SER 23 -11.158 -5.101 -1.762 134 HB3 SER 23 2HB SER 23 -11.457 -3.440 -1.253 135 HG SER 23 HG SER 23 -13.419 -4.471 -1.610 136 H GLY 24 H GLY 24 -10.446 -2.456 -5.493 137 HA2 GLY 24 1HA GLY 24 -12.019 -0.673 -6.214 138 HA3 GLY 24 2HA GLY 24 -11.868 -0.028 -4.586 139 H SER 25 H SER 25 -11.272 1.134 -7.273 140 HA SER 25 HA SER 25 -8.508 1.354 -7.675 141 HB2 SER 25 1HB SER 25 -10.440 2.095 -9.213 142 HB3 SER 25 2HB SER 25 -10.440 3.587 -8.274 143 HG SER 25 HG SER 25 -8.938 3.082 -10.308 144 H TYR 26 H TYR 26 -10.712 3.655 -6.069 145 HA TYR 26 HA TYR 26 -9.031 5.585 -5.230 146 HB2 TYR 26 1HB TYR 26 -11.551 5.145 -4.671 147 HB3 TYR 26 2HB TYR 26 -10.908 4.435 -3.195 148 HD1 TYR 26 HD2 TYR 26 -8.833 6.096 -2.282 149 HD2 TYR 26 HD1 TYR 26 -12.384 7.259 -4.317 150 HE1 TYR 26 HE2 TYR 26 -8.671 8.334 -1.273 151 HE2 TYR 26 HE1 TYR 26 -12.232 9.500 -3.315 152 HH TYR 26 HH TYR 26 -10.668 10.271 -0.764 153 H ARG 27 H ARG 27 -9.504 2.485 -3.551 154 HA ARG 27 HA ARG 27 -7.787 2.881 -1.415 155 HB2 ARG 27 1HB ARG 27 -8.723 0.465 -2.902 156 HB3 ARG 27 2HB ARG 27 -7.434 0.280 -1.720 157 HG2 ARG 27 1HG ARG 27 -9.038 1.544 -0.132 158 HG3 ARG 27 2HG ARG 27 -10.278 1.087 -1.301 159 HD2 ARG 27 1HD ARG 27 -9.281 -1.292 -1.053 160 HD3 ARG 27 2HD ARG 27 -8.573 -0.659 0.433 161 HE ARG 27 HE ARG 27 -11.334 -1.303 -0.036 162 HH11 ARG 27 1HH1 ARG 27 -9.123 0.608 1.856 163 HH12 ARG 27 2HH1 ARG 27 -10.211 0.781 3.193 164 HH21 ARG 27 1HH2 ARG 27 -12.776 -1.082 1.717 165 HH22 ARG 27 2HH2 ARG 27 -12.289 -0.182 3.113 166 H LEU 28 H LEU 28 -7.025 1.440 -4.582 167 HA LEU 28 HA LEU 28 -4.412 0.790 -4.309 168 HB2 LEU 28 1HB LEU 28 -5.745 0.561 -6.379 169 HB3 LEU 28 2HB LEU 28 -5.554 2.290 -6.662 170 HG LEU 28 HG LEU 28 -3.081 1.906 -6.796 171 HD11 LEU 28 1HD1 LEU 28 -2.461 -0.496 -7.347 172 HD12 LEU 28 2HD1 LEU 28 -3.989 -0.950 -6.594 173 HD13 LEU 28 3HD1 LEU 28 -2.754 -0.118 -5.649 174 HD21 LEU 28 3HD2 LEU 28 -5.132 1.047 -8.703 175 HD22 LEU 28 1HD2 LEU 28 -3.528 0.379 -9.008 176 HD23 LEU 28 2HD2 LEU 28 -3.754 2.127 -8.923 177 H THR 29 H THR 29 -5.528 4.035 -5.285 178 HA THR 29 HA THR 29 -3.242 5.427 -5.504 179 HB THR 29 HB THR 29 -5.606 6.418 -3.898 180 HG1 THR 29 HG1 THR 29 -6.417 7.084 -5.894 181 HG21 THR 29 3HG2 THR 29 -3.593 7.968 -5.527 182 HG22 THR 29 1HG2 THR 29 -3.542 7.808 -3.772 183 HG23 THR 29 2HG2 THR 29 -4.899 8.628 -4.543 184 H GLN 30 H GLN 30 -4.906 5.234 -2.350 185 HA GLN 30 HA GLN 30 -3.111 6.341 -0.694 186 HB2 GLN 30 1HB GLN 30 -4.787 3.877 -0.322 187 HB3 GLN 30 2HB GLN 30 -3.746 4.455 0.972 188 HG2 GLN 30 1HG GLN 30 -4.922 6.702 0.670 189 HG3 GLN 30 2HG GLN 30 -6.116 5.804 -0.266 190 HE21 GLN 30 1HE2 GLN 30 -7.452 6.730 1.536 191 HE22 GLN 30 2HE2 GLN 30 -7.631 5.763 2.956 192 H HIS 31 H HIS 31 -2.907 2.999 -1.881 193 HA HIS 31 HA HIS 31 -0.503 2.367 -0.529 194 HB2 HIS 31 1HB HIS 31 -1.655 0.478 -1.215 195 HB3 HIS 31 2HB HIS 31 -2.039 1.157 -2.794 196 HD1 HIS 31 HD1 HIS 31 1.080 -0.006 -0.941 197 HD2 HIS 31 HD2 HIS 31 -0.534 0.097 -4.768 198 HE1 HIS 31 HE1 HIS 31 2.734 -1.214 -2.402 199 H TRP 32 H TRP 32 -1.114 3.229 -3.933 200 HA TRP 32 HA TRP 32 1.414 3.182 -4.945 201 HB2 TRP 32 1HB TRP 32 -0.976 4.867 -5.501 202 HB3 TRP 32 2HB TRP 32 0.553 5.364 -6.221 203 HD1 TRP 32 HD1 TRP 32 -0.935 1.794 -5.850 204 HE1 TRP 32 HE1 TRP 32 -0.985 0.715 -8.186 205 HE3 TRP 32 HE3 TRP 32 0.797 5.739 -8.603 206 HZ2 TRP 32 HZ2 TRP 32 -0.370 1.440 -10.844 207 HZ3 TRP 32 HZ3 TRP 32 1.037 5.463 -11.036 208 HH2 TRP 32 HH2 TRP 32 0.466 3.357 -12.131 209 H ILE 33 H ILE 33 0.195 5.307 -2.535 210 HA ILE 33 HA ILE 33 1.800 7.547 -2.789 211 HB ILE 33 HB ILE 33 0.949 6.197 -0.224 212 HG12 ILE 33 1HG1 ILE 33 -0.838 6.887 -1.925 213 HG13 ILE 33 2HG1 ILE 33 -1.007 7.516 -0.289 214 HG21 ILE 33 1HG2 ILE 33 1.793 9.053 -0.694 215 HG22 ILE 33 2HG2 ILE 33 1.287 8.344 0.839 216 HG23 ILE 33 3HG2 ILE 33 2.785 7.814 0.075 217 HD11 ILE 33 3HD1 ILE 33 -1.452 9.161 -2.105 218 HD12 ILE 33 1HD1 ILE 33 -0.213 9.655 -0.952 219 HD13 ILE 33 2HD1 ILE 33 0.252 9.053 -2.543 220 H THR 34 H THR 34 2.514 4.528 -1.046 221 HA THR 34 HA THR 34 4.966 5.128 0.024 222 HB THR 34 HB THR 34 3.686 2.956 0.269 223 HG1 THR 34 HG1 THR 34 5.873 1.750 0.184 224 HG21 THR 34 3HG2 THR 34 3.405 2.435 -2.097 225 HG22 THR 34 1HG2 THR 34 4.287 1.143 -1.283 226 HG23 THR 34 2HG2 THR 34 5.152 2.303 -2.291 227 H HIS 35 H HIS 35 4.144 4.864 -3.289 228 HA HIS 35 HA HIS 35 6.911 4.489 -4.135 229 HB2 HIS 35 1HB HIS 35 4.402 4.813 -5.795 230 HB3 HIS 35 2HB HIS 35 5.996 4.381 -6.406 231 HD1 HIS 35 HD1 HIS 35 6.828 2.177 -4.516 232 HD2 HIS 35 HD2 HIS 35 2.974 2.527 -6.028 233 HE1 HIS 35 HE1 HIS 35 5.833 -0.127 -4.360 234 H THR 36 H THR 36 5.774 6.954 -2.777 235 HA THR 36 HA THR 36 6.640 8.903 -4.814 236 HB THR 36 HB THR 36 4.641 9.377 -2.595 237 HG1 THR 36 HG1 THR 36 4.031 9.569 -5.332 238 HG21 THR 36 3HG2 THR 36 6.108 11.319 -3.284 239 HG22 THR 36 1HG2 THR 36 4.373 11.572 -3.460 240 HG23 THR 36 2HG2 THR 36 5.358 11.209 -4.876 241 H ARG 37 H ARG 37 6.399 8.328 -1.309 242 HA ARG 37 HA ARG 37 8.281 10.360 -0.636 243 HB2 ARG 37 1HB ARG 37 8.109 9.555 1.610 244 HB3 ARG 37 2HB ARG 37 6.504 9.474 0.897 245 HG2 ARG 37 1HG ARG 37 7.022 7.034 0.399 246 HG3 ARG 37 2HG ARG 37 8.395 7.225 1.491 247 HD2 ARG 37 1HD ARG 37 5.722 8.129 2.424 248 HD3 ARG 37 2HD ARG 37 6.030 6.395 2.345 249 HE ARG 37 HE ARG 37 7.518 6.597 4.097 250 HH11 ARG 37 1HH1 ARG 37 6.559 9.747 2.966 251 HH12 ARG 37 2HH1 ARG 37 7.251 10.586 4.314 252 HH21 ARG 37 1HH2 ARG 37 8.433 7.690 5.878 253 HH22 ARG 37 2HH2 ARG 37 8.317 9.415 5.970 254 H GLU 38 H GLU 38 8.468 6.836 -0.963 255 HA GLU 38 HA GLU 38 10.965 6.285 -0.040 256 HB2 GLU 38 1HB GLU 38 9.654 5.224 -2.547 257 HB3 GLU 38 2HB GLU 38 11.096 4.527 -1.822 258 HG2 GLU 38 1HG GLU 38 8.663 4.867 -0.144 259 HG3 GLU 38 2HG GLU 38 8.721 3.553 -1.317 260 H LYS 39 H LYS 39 12.902 7.115 -0.402 261 HA LYS 39 HA LYS 39 13.482 8.234 -3.067 262 HB2 LYS 39 1HB LYS 39 13.364 10.039 -1.485 263 HB3 LYS 39 2HB LYS 39 14.389 9.177 -0.345 264 HG2 LYS 39 1HG LYS 39 15.906 10.624 -1.230 265 HG3 LYS 39 2HG LYS 39 16.108 9.263 -2.336 266 HD2 LYS 39 1HD LYS 39 14.811 10.310 -4.012 267 HD3 LYS 39 2HD LYS 39 14.202 11.526 -2.886 268 HE2 LYS 39 1HE LYS 39 17.068 11.245 -3.785 269 HE3 LYS 39 2HE LYS 39 15.916 12.431 -4.398 270 HZ1 LYS 39 3HZ LYS 39 17.182 13.531 -2.776 271 HZ2 LYS 39 1HZ LYS 39 17.068 12.250 -1.677 272 HZ3 LYS 39 2HZ LYS 39 15.707 13.194 -2.021 273 HA PRO 40 HA PRO 40 16.411 4.738 -2.383 274 HB2 PRO 40 1HB PRO 40 16.371 3.918 -4.971 275 HB3 PRO 40 2HB PRO 40 15.173 3.398 -3.780 276 HG2 PRO 40 1HG PRO 40 14.967 5.536 -5.864 277 HG3 PRO 40 2HG PRO 40 13.771 4.316 -5.391 278 HD2 PRO 40 1HD PRO 40 13.655 6.881 -4.530 279 HD3 PRO 40 2HD PRO 40 13.092 5.516 -3.544 280 H SER 41 H SER 41 18.577 4.610 -2.945 281 HA SER 41 HA SER 41 19.909 6.958 -3.610 282 HB2 SER 41 1HB SER 41 21.921 5.531 -3.876 283 HB3 SER 41 2HB SER 41 21.013 5.140 -2.415 284 HG SER 41 HG SER 41 21.642 3.272 -3.603 285 H GLY 42 H GLY 42 19.502 4.053 -5.647 286 HA2 GLY 42 1HA GLY 42 18.944 5.535 -7.994 287 HA3 GLY 42 2HA GLY 42 20.642 5.085 -7.970 288 HA PRO 43 HA PRO 43 19.608 1.211 -9.743 289 HB2 PRO 43 1HB PRO 43 21.616 -0.338 -8.774 290 HB3 PRO 43 2HB PRO 43 21.865 0.883 -10.027 291 HG2 PRO 43 1HG PRO 43 22.393 1.053 -7.085 292 HG3 PRO 43 2HG PRO 43 23.393 1.617 -8.436 293 HD2 PRO 43 1HD PRO 43 21.825 3.284 -6.989 294 HD3 PRO 43 2HD PRO 43 22.155 3.541 -8.714 295 H SER 44 H SER 44 17.643 0.769 -8.662 296 HA SER 44 HA SER 44 17.910 -1.056 -6.363 297 HB2 SER 44 1HB SER 44 15.800 1.020 -6.947 298 HB3 SER 44 2HB SER 44 15.539 -0.288 -5.793 299 HG SER 44 HG SER 44 16.406 1.162 -4.500 300 H SER 45 H SER 45 15.680 -0.181 -9.005 301 HA SER 45 HA SER 45 14.250 -2.594 -9.006 302 HB2 SER 45 1HB SER 45 14.644 -0.390 -10.998 303 HB3 SER 45 2HB SER 45 13.825 -1.870 -11.499 304 HG SER 45 HG SER 45 13.063 -0.013 -9.514 305 H GLY 46 H GLY 46 14.198 -3.951 -11.169 306 HA2 GLY 46 1HA GLY 46 15.516 -5.008 -12.882 307 HA3 GLY 46 2HA GLY 46 16.957 -4.615 -11.956 Start of MODEL 2 1 H1 GLY 1 H GLY 1 7.434 -29.077 -9.413 2 HA2 GLY 1 1HA GLY 1 5.061 -28.832 -10.276 3 HA3 GLY 1 2HA GLY 1 5.793 -27.332 -9.724 4 H SER 2 H SER 2 3.716 -27.901 -11.786 5 HA SER 2 HA SER 2 5.080 -26.796 -14.148 6 HB2 SER 2 1HB SER 2 3.154 -27.595 -15.449 7 HB3 SER 2 2HB SER 2 3.895 -28.916 -14.547 8 HG SER 2 HG SER 2 1.774 -27.486 -13.396 9 H SER 3 H SER 3 4.712 -24.753 -14.698 10 HA SER 3 HA SER 3 2.939 -23.127 -13.141 11 HB2 SER 3 1HB SER 3 4.997 -22.127 -13.841 12 HB3 SER 3 2HB SER 3 4.696 -22.537 -15.529 13 HG SER 3 HG SER 3 4.122 -20.434 -15.341 14 H GLY 4 H GLY 4 0.813 -23.522 -13.472 15 HA2 GLY 4 1HA GLY 4 -0.176 -23.134 -16.227 16 HA3 GLY 4 2HA GLY 4 -0.820 -24.404 -15.197 17 H SER 5 H SER 5 -2.324 -23.916 -13.648 18 HA SER 5 HA SER 5 -4.119 -21.923 -13.996 19 HB2 SER 5 1HB SER 5 -4.538 -23.749 -12.451 20 HB3 SER 5 2HB SER 5 -3.287 -23.155 -11.358 21 HG SER 5 HG SER 5 -5.654 -21.754 -12.066 22 H SER 6 H SER 6 -4.230 -19.789 -13.710 23 HA SER 6 HA SER 6 -1.919 -18.421 -12.586 24 HB2 SER 6 1HB SER 6 -2.951 -16.383 -13.538 25 HB3 SER 6 2HB SER 6 -2.754 -17.650 -14.749 26 HG SER 6 HG SER 6 -4.814 -17.485 -15.066 27 H GLY 7 H GLY 7 -2.092 -18.589 -10.380 28 HA2 GLY 7 1HA GLY 7 -2.972 -18.305 -8.262 29 HA3 GLY 7 2HA GLY 7 -3.390 -16.722 -8.901 30 H GLU 8 H GLU 8 -5.280 -16.553 -7.701 31 HA GLU 8 HA GLU 8 -7.396 -18.489 -8.367 32 HB2 GLU 8 1HB GLU 8 -6.735 -18.171 -5.936 33 HB3 GLU 8 2HB GLU 8 -7.409 -16.552 -6.055 34 HG2 GLU 8 1HG GLU 8 -8.960 -19.067 -6.615 35 HG3 GLU 8 2HG GLU 8 -8.937 -18.239 -5.059 36 H GLY 9 H GLY 9 -6.961 -15.019 -7.647 37 HA2 GLY 9 1HA GLY 9 -8.592 -14.314 -9.932 38 HA3 GLY 9 2HA GLY 9 -9.331 -13.958 -8.378 39 H GLU 10 H GLU 10 -7.388 -12.766 -10.811 40 HA GLU 10 HA GLU 10 -5.946 -10.901 -9.088 41 HB2 GLU 10 1HB GLU 10 -4.845 -10.177 -11.189 42 HB3 GLU 10 2HB GLU 10 -4.652 -11.895 -10.869 43 HG2 GLU 10 1HG GLU 10 -6.460 -12.378 -12.457 44 HG3 GLU 10 2HG GLU 10 -6.597 -10.655 -12.803 45 H LYS 11 H LYS 11 -6.823 -9.022 -8.568 46 HA LYS 11 HA LYS 11 -9.219 -8.054 -9.735 47 HB2 LYS 11 1HB LYS 11 -7.304 -7.096 -7.670 48 HB3 LYS 11 2HB LYS 11 -8.373 -5.902 -8.395 49 HG2 LYS 11 1HG LYS 11 -9.411 -6.696 -6.412 50 HG3 LYS 11 2HG LYS 11 -10.299 -7.368 -7.782 51 HD2 LYS 11 1HD LYS 11 -10.077 -9.218 -6.422 52 HD3 LYS 11 2HD LYS 11 -8.673 -9.389 -7.478 53 HE2 LYS 11 1HE LYS 11 -7.339 -8.186 -5.720 54 HE3 LYS 11 2HE LYS 11 -8.743 -8.317 -4.663 55 HZ1 LYS 11 3HZ LYS 11 -8.624 -10.756 -4.978 56 HZ2 LYS 11 1HZ LYS 11 -7.268 -10.113 -4.198 57 HZ3 LYS 11 2HZ LYS 11 -7.176 -10.551 -5.829 58 HA PRO 12 HA PRO 12 -7.857 -5.518 -13.046 59 HB2 PRO 12 1HB PRO 12 -9.471 -3.346 -12.821 60 HB3 PRO 12 2HB PRO 12 -10.053 -4.923 -13.369 61 HG2 PRO 12 1HG PRO 12 -10.248 -3.669 -10.658 62 HG3 PRO 12 2HG PRO 12 -11.477 -4.569 -11.566 63 HD2 PRO 12 1HD PRO 12 -10.026 -5.690 -9.573 64 HD3 PRO 12 2HD PRO 12 -10.594 -6.615 -10.978 65 H TYR 13 H TYR 13 -7.595 -4.401 -9.817 66 HA TYR 13 HA TYR 13 -5.800 -2.228 -10.677 67 HB2 TYR 13 1HB TYR 13 -7.293 -2.465 -8.057 68 HB3 TYR 13 2HB TYR 13 -6.273 -1.120 -8.555 69 HD1 TYR 13 HD2 TYR 13 -7.027 -0.294 -11.095 70 HD2 TYR 13 HD1 TYR 13 -9.539 -1.981 -8.104 71 HE1 TYR 13 HE2 TYR 13 -8.975 0.809 -12.116 72 HE2 TYR 13 HE1 TYR 13 -11.493 -0.884 -9.117 73 HH TYR 13 HH TYR 13 -12.232 0.424 -10.746 74 H GLN 14 H GLN 14 -3.991 -3.594 -10.835 75 HA GLN 14 HA GLN 14 -3.029 -4.690 -8.276 76 HB2 GLN 14 1HB GLN 14 -3.300 -6.435 -9.918 77 HB3 GLN 14 2HB GLN 14 -2.397 -5.513 -11.113 78 HG2 GLN 14 1HG GLN 14 -0.388 -5.703 -9.702 79 HG3 GLN 14 2HG GLN 14 -1.305 -6.696 -8.571 80 HE21 GLN 14 1HE2 GLN 14 0.251 -6.555 -11.655 81 HE22 GLN 14 2HE2 GLN 14 0.162 -8.243 -12.013 82 H CYS 15 H CYS 15 -1.665 -3.309 -7.350 83 HA CYS 15 HA CYS 15 -0.305 -1.222 -8.562 84 HB2 CYS 15 1HB CYS 15 -0.642 -1.471 -6.114 85 HB3 CYS 15 2HB CYS 15 0.568 -2.750 -6.100 86 H SER 16 H SER 16 0.934 -1.552 -10.318 87 HA SER 16 HA SER 16 2.588 -3.824 -10.705 88 HB2 SER 16 1HB SER 16 1.601 -2.242 -12.482 89 HB3 SER 16 2HB SER 16 2.968 -1.188 -12.116 90 HG SER 16 HG SER 16 4.261 -3.190 -12.512 91 H GLU 17 H GLU 17 3.204 -0.529 -9.589 92 HA GLU 17 HA GLU 17 5.861 -0.240 -9.584 93 HB2 GLU 17 1HB GLU 17 4.125 0.210 -7.150 94 HB3 GLU 17 2HB GLU 17 5.705 0.929 -7.424 95 HG2 GLU 17 1HG GLU 17 3.588 1.349 -9.465 96 HG3 GLU 17 2HG GLU 17 3.486 2.236 -7.945 97 H CYS 18 H CYS 18 4.208 -1.978 -6.940 98 HA CYS 18 HA CYS 18 6.729 -3.413 -6.433 99 HB2 CYS 18 1HB CYS 18 5.880 -3.798 -4.157 100 HB3 CYS 18 2HB CYS 18 5.959 -2.079 -4.531 101 H GLY 19 H GLY 19 3.199 -3.834 -6.529 102 HA2 GLY 19 1HA GLY 19 2.454 -5.760 -7.925 103 HA3 GLY 19 2HA GLY 19 3.668 -6.701 -7.072 104 H LYS 20 H LYS 20 0.837 -4.648 -6.394 105 HA LYS 20 HA LYS 20 0.090 -6.569 -4.287 106 HB2 LYS 20 1HB LYS 20 -0.247 -3.571 -4.366 107 HB3 LYS 20 2HB LYS 20 -1.101 -4.598 -3.223 108 HG2 LYS 20 1HG LYS 20 1.861 -4.812 -3.401 109 HG3 LYS 20 2HG LYS 20 1.150 -3.423 -2.575 110 HD2 LYS 20 1HD LYS 20 -0.158 -4.995 -1.168 111 HD3 LYS 20 2HD LYS 20 0.690 -6.337 -1.939 112 HE2 LYS 20 1HE LYS 20 2.001 -6.069 -0.091 113 HE3 LYS 20 2HE LYS 20 2.815 -4.957 -1.190 114 HZ1 LYS 20 3HZ LYS 20 1.559 -3.135 -0.211 115 HZ2 LYS 20 1HZ LYS 20 2.459 -3.948 0.969 116 HZ3 LYS 20 2HZ LYS 20 0.791 -4.206 0.850 117 H SER 21 H SER 21 -2.307 -6.501 -3.794 118 HA SER 21 HA SER 21 -3.869 -6.066 -6.252 119 HB2 SER 21 1HB SER 21 -5.036 -8.135 -5.944 120 HB3 SER 21 2HB SER 21 -3.314 -8.497 -5.836 121 HG SER 21 HG SER 21 -4.759 -9.414 -4.162 122 H PHE 22 H PHE 22 -5.584 -4.811 -5.969 123 HA PHE 22 HA PHE 22 -6.842 -4.694 -3.316 124 HB2 PHE 22 1HB PHE 22 -6.163 -2.310 -5.051 125 HB3 PHE 22 2HB PHE 22 -7.098 -2.247 -3.561 126 HD1 PHE 22 HD2 PHE 22 -6.015 -2.670 -1.399 127 HD2 PHE 22 HD1 PHE 22 -3.789 -2.504 -5.024 128 HE1 PHE 22 HE2 PHE 22 -3.938 -2.402 -0.108 129 HE2 PHE 22 HE1 PHE 22 -1.708 -2.237 -3.738 130 HZ PHE 22 HZ PHE 22 -1.781 -2.185 -1.277 131 H SER 23 H SER 23 -9.058 -4.135 -3.306 132 HA SER 23 HA SER 23 -10.443 -4.954 -5.712 133 HB2 SER 23 1HB SER 23 -11.375 -4.295 -2.915 134 HB3 SER 23 2HB SER 23 -12.490 -4.682 -4.225 135 HG SER 23 HG SER 23 -11.552 -6.708 -4.388 136 H GLY 24 H GLY 24 -10.280 -2.069 -3.648 137 HA2 GLY 24 1HA GLY 24 -11.904 -0.583 -5.575 138 HA3 GLY 24 2HA GLY 24 -11.412 -0.023 -3.983 139 H SER 25 H SER 25 -11.218 1.246 -6.659 140 HA SER 25 HA SER 25 -8.479 1.274 -7.433 141 HB2 SER 25 1HB SER 25 -10.257 1.887 -9.004 142 HB3 SER 25 2HB SER 25 -10.682 3.274 -8.001 143 HG SER 25 HG SER 25 -8.234 3.700 -8.376 144 H TYR 26 H TYR 26 -10.498 3.662 -5.721 145 HA TYR 26 HA TYR 26 -8.721 5.634 -5.196 146 HB2 TYR 26 1HB TYR 26 -11.120 5.498 -4.420 147 HB3 TYR 26 2HB TYR 26 -10.556 4.525 -3.067 148 HD1 TYR 26 HD2 TYR 26 -8.544 5.635 -1.715 149 HD2 TYR 26 HD1 TYR 26 -11.360 7.767 -4.087 150 HE1 TYR 26 HE2 TYR 26 -8.059 7.681 -0.439 151 HE2 TYR 26 HE1 TYR 26 -10.882 9.820 -2.819 152 HH TYR 26 HH TYR 26 -8.283 9.972 -0.481 153 H ARG 27 H ARG 27 -9.097 2.696 -3.217 154 HA ARG 27 HA ARG 27 -7.160 3.188 -1.316 155 HB2 ARG 27 1HB ARG 27 -8.740 1.261 -1.318 156 HB3 ARG 27 2HB ARG 27 -7.760 0.502 -2.566 157 HG2 ARG 27 1HG ARG 27 -6.989 -0.530 -0.665 158 HG3 ARG 27 2HG ARG 27 -5.829 0.787 -0.851 159 HD2 ARG 27 1HD ARG 27 -7.588 2.065 0.653 160 HD3 ARG 27 2HD ARG 27 -7.999 0.424 1.151 161 HE ARG 27 HE ARG 27 -5.182 1.031 1.246 162 HH11 ARG 27 1HH1 ARG 27 -8.204 1.063 2.973 163 HH12 ARG 27 2HH1 ARG 27 -7.460 1.055 4.538 164 HH21 ARG 27 1HH2 ARG 27 -4.190 1.021 3.300 165 HH22 ARG 27 2HH2 ARG 27 -5.177 1.032 4.722 166 H LEU 28 H LEU 28 -6.763 1.715 -4.518 167 HA LEU 28 HA LEU 28 -4.113 0.982 -4.410 168 HB2 LEU 28 1HB LEU 28 -5.709 0.601 -6.296 169 HB3 LEU 28 2HB LEU 28 -5.445 2.274 -6.784 170 HG LEU 28 HG LEU 28 -2.913 1.461 -6.812 171 HD11 LEU 28 1HD1 LEU 28 -4.229 -0.926 -6.282 172 HD12 LEU 28 2HD1 LEU 28 -2.564 -0.732 -6.827 173 HD13 LEU 28 3HD1 LEU 28 -3.851 -0.997 -8.003 174 HD21 LEU 28 3HD2 LEU 28 -3.619 2.371 -8.779 175 HD22 LEU 28 1HD2 LEU 28 -5.076 1.379 -8.845 176 HD23 LEU 28 2HD2 LEU 28 -3.514 0.679 -9.269 177 H THR 29 H THR 29 -5.319 4.095 -5.675 178 HA THR 29 HA THR 29 -2.959 5.389 -6.116 179 HB THR 29 HB THR 29 -5.352 6.721 -4.838 180 HG1 THR 29 HG1 THR 29 -5.691 7.088 -7.286 181 HG21 THR 29 3HG2 THR 29 -3.152 7.986 -5.126 182 HG22 THR 29 1HG2 THR 29 -4.593 8.720 -5.828 183 HG23 THR 29 2HG2 THR 29 -3.445 7.870 -6.861 184 H GLN 30 H GLN 30 -4.788 5.591 -3.055 185 HA GLN 30 HA GLN 30 -3.035 7.050 -1.552 186 HB2 GLN 30 1HB GLN 30 -4.734 4.705 -0.693 187 HB3 GLN 30 2HB GLN 30 -3.919 5.786 0.430 188 HG2 GLN 30 1HG GLN 30 -6.105 6.481 -1.514 189 HG3 GLN 30 2HG GLN 30 -6.195 6.464 0.247 190 HE21 GLN 30 1HE2 GLN 30 -4.536 7.927 1.317 191 HE22 GLN 30 2HE2 GLN 30 -4.342 9.496 0.622 192 H HIS 31 H HIS 31 -3.050 3.493 -1.804 193 HA HIS 31 HA HIS 31 -0.792 3.006 -0.252 194 HB2 HIS 31 1HB HIS 31 -1.998 1.088 -0.746 195 HB3 HIS 31 2HB HIS 31 -2.169 1.508 -2.447 196 HD1 HIS 31 HD1 HIS 31 0.199 -0.084 -0.025 197 HD2 HIS 31 HD2 HIS 31 -0.085 0.663 -4.102 198 HE1 HIS 31 HE1 HIS 31 2.024 -1.449 -1.087 199 H TRP 32 H TRP 32 -1.031 3.457 -3.771 200 HA TRP 32 HA TRP 32 1.549 3.051 -4.549 201 HB2 TRP 32 1HB TRP 32 -0.563 4.951 -5.482 202 HB3 TRP 32 2HB TRP 32 1.056 5.078 -6.163 203 HD1 TRP 32 HD1 TRP 32 -1.065 1.913 -5.394 204 HE1 TRP 32 HE1 TRP 32 -1.188 0.507 -7.547 205 HE3 TRP 32 HE3 TRP 32 1.506 5.018 -8.539 206 HZ2 TRP 32 HZ2 TRP 32 -0.311 0.690 -10.224 207 HZ3 TRP 32 HZ3 TRP 32 1.820 4.328 -10.880 208 HH2 TRP 32 HH2 TRP 32 0.931 2.209 -11.702 209 H ILE 33 H ILE 33 0.227 6.063 -3.205 210 HA ILE 33 HA ILE 33 2.300 7.785 -3.385 211 HB ILE 33 HB ILE 33 0.640 7.330 -0.903 212 HG12 ILE 33 1HG1 ILE 33 0.237 9.390 -3.072 213 HG13 ILE 33 2HG1 ILE 33 -0.548 7.814 -3.105 214 HG21 ILE 33 1HG2 ILE 33 1.669 9.044 0.075 215 HG22 ILE 33 2HG2 ILE 33 2.888 8.933 -1.193 216 HG23 ILE 33 3HG2 ILE 33 1.528 10.041 -1.373 217 HD11 ILE 33 3HD1 ILE 33 -2.187 9.013 -2.112 218 HD12 ILE 33 1HD1 ILE 33 -1.280 8.558 -0.669 219 HD13 ILE 33 2HD1 ILE 33 -1.063 10.158 -1.379 220 H THR 34 H THR 34 2.064 5.070 -1.147 221 HA THR 34 HA THR 34 4.112 5.512 0.592 222 HB THR 34 HB THR 34 4.440 3.092 0.740 223 HG1 THR 34 HG1 THR 34 3.366 1.736 -0.763 224 HG21 THR 34 3HG2 THR 34 1.803 4.368 0.754 225 HG22 THR 34 1HG2 THR 34 2.580 3.361 1.975 226 HG23 THR 34 2HG2 THR 34 1.748 2.611 0.612 227 H HIS 35 H HIS 35 4.413 4.195 -2.693 228 HA HIS 35 HA HIS 35 7.217 3.846 -2.610 229 HB2 HIS 35 1HB HIS 35 5.501 4.317 -5.054 230 HB3 HIS 35 2HB HIS 35 7.085 3.547 -5.009 231 HD1 HIS 35 HD1 HIS 35 6.956 1.358 -3.136 232 HD2 HIS 35 HD2 HIS 35 3.593 2.441 -5.321 233 HE1 HIS 35 HE1 HIS 35 5.467 -0.668 -3.126 234 H THR 36 H THR 36 5.157 6.527 -3.601 235 HA THR 36 HA THR 36 7.511 8.273 -3.563 236 HB THR 36 HB THR 36 6.596 9.500 -5.562 237 HG1 THR 36 HG1 THR 36 5.134 7.096 -5.997 238 HG21 THR 36 3HG2 THR 36 7.459 7.841 -7.212 239 HG22 THR 36 1HG2 THR 36 7.520 6.648 -5.916 240 HG23 THR 36 2HG2 THR 36 8.528 8.093 -5.833 241 H ARG 37 H ARG 37 7.156 9.900 -2.215 242 HA ARG 37 HA ARG 37 4.383 10.815 -1.816 243 HB2 ARG 37 1HB ARG 37 6.682 10.653 0.132 244 HB3 ARG 37 2HB ARG 37 5.218 11.572 0.455 245 HG2 ARG 37 1HG ARG 37 3.940 9.708 0.748 246 HG3 ARG 37 2HG ARG 37 4.930 8.726 -0.334 247 HD2 ARG 37 1HD ARG 37 6.463 8.229 1.296 248 HD3 ARG 37 2HD ARG 37 6.146 9.712 2.195 249 HE ARG 37 HE ARG 37 4.756 7.191 2.442 250 HH11 ARG 37 1HH1 ARG 37 4.696 10.615 3.065 251 HH12 ARG 37 2HH1 ARG 37 3.548 10.492 4.357 252 HH21 ARG 37 1HH2 ARG 37 3.243 7.016 4.140 253 HH22 ARG 37 2HH2 ARG 37 2.722 8.444 4.968 254 H GLU 38 H GLU 38 7.733 11.977 -1.395 255 HA GLU 38 HA GLU 38 6.836 14.606 -2.379 256 HB2 GLU 38 1HB GLU 38 7.592 14.749 -0.089 257 HB3 GLU 38 2HB GLU 38 9.081 13.902 -0.484 258 HG2 GLU 38 1HG GLU 38 9.293 16.378 -0.196 259 HG3 GLU 38 2HG GLU 38 9.911 15.738 -1.717 260 H LYS 39 H LYS 39 9.676 12.459 -2.297 261 HA LYS 39 HA LYS 39 10.731 13.759 -4.688 262 HB2 LYS 39 1HB LYS 39 11.868 11.755 -2.747 263 HB3 LYS 39 2HB LYS 39 12.673 12.141 -4.262 264 HG2 LYS 39 1HG LYS 39 13.033 14.381 -3.613 265 HG3 LYS 39 2HG LYS 39 11.932 14.236 -2.241 266 HD2 LYS 39 1HD LYS 39 14.092 14.130 -1.313 267 HD3 LYS 39 2HD LYS 39 13.524 12.459 -1.353 268 HE2 LYS 39 1HE LYS 39 14.834 11.987 -3.292 269 HE3 LYS 39 2HE LYS 39 15.238 13.689 -3.503 270 HZ1 LYS 39 3HZ LYS 39 17.079 12.512 -2.522 271 HZ2 LYS 39 1HZ LYS 39 16.105 11.949 -1.259 272 HZ3 LYS 39 2HZ LYS 39 16.447 13.600 -1.391 273 HA PRO 40 HA PRO 40 9.332 10.665 -7.479 274 HB2 PRO 40 1HB PRO 40 11.277 10.813 -9.368 275 HB3 PRO 40 2HB PRO 40 10.040 12.059 -9.163 276 HG2 PRO 40 1HG PRO 40 12.869 12.020 -8.185 277 HG3 PRO 40 2HG PRO 40 11.959 13.350 -8.925 278 HD2 PRO 40 1HD PRO 40 12.344 13.158 -6.251 279 HD3 PRO 40 2HD PRO 40 10.881 13.874 -6.956 280 H SER 41 H SER 41 10.482 8.855 -8.947 281 HA SER 41 HA SER 41 11.193 6.774 -7.315 282 HB2 SER 41 1HB SER 41 11.866 5.582 -9.269 283 HB3 SER 41 2HB SER 41 10.581 6.678 -9.779 284 HG SER 41 HG SER 41 12.386 8.144 -10.350 285 H GLY 42 H GLY 42 13.172 5.705 -6.838 286 HA2 GLY 42 1HA GLY 42 15.501 7.525 -6.853 287 HA3 GLY 42 2HA GLY 42 15.142 6.416 -5.538 288 HA PRO 43 HA PRO 43 17.713 3.366 -7.345 289 HB2 PRO 43 1HB PRO 43 16.414 1.073 -6.689 290 HB3 PRO 43 2HB PRO 43 17.281 2.059 -5.505 291 HG2 PRO 43 1HG PRO 43 14.349 1.957 -6.103 292 HG3 PRO 43 2HG PRO 43 15.169 2.019 -4.532 293 HD2 PRO 43 1HD PRO 43 14.061 4.205 -5.684 294 HD3 PRO 43 2HD PRO 43 15.505 4.296 -4.656 295 H SER 44 H SER 44 14.252 2.938 -8.021 296 HA SER 44 HA SER 44 14.708 1.334 -10.352 297 HB2 SER 44 1HB SER 44 12.603 1.458 -8.796 298 HB3 SER 44 2HB SER 44 12.134 2.792 -9.850 299 HG SER 44 HG SER 44 12.779 1.030 -11.540 300 H SER 45 H SER 45 15.856 2.333 -11.921 301 HA SER 45 HA SER 45 15.659 5.057 -12.607 302 HB2 SER 45 1HB SER 45 16.819 2.635 -13.941 303 HB3 SER 45 2HB SER 45 16.710 4.152 -14.833 304 HG SER 45 HG SER 45 18.540 3.438 -13.069 305 H GLY 46 H GLY 46 14.503 6.141 -14.148 306 HA2 GLY 46 1HA GLY 46 13.202 5.938 -16.264 307 HA3 GLY 46 2HA GLY 46 12.382 4.585 -15.498 Start of MODEL 3 1 H1 GLY 1 H GLY 1 5.764 -30.752 -0.278 2 HA2 GLY 1 1HA GLY 1 3.977 -29.315 -0.399 3 HA3 GLY 1 2HA GLY 1 4.945 -28.261 0.621 4 H SER 2 H SER 2 4.250 -29.136 -2.727 5 HA SER 2 HA SER 2 5.503 -26.665 -3.658 6 HB2 SER 2 1HB SER 2 5.941 -28.824 -4.847 7 HB3 SER 2 2HB SER 2 4.237 -28.872 -5.298 8 HG SER 2 HG SER 2 4.615 -27.455 -6.801 9 H SER 3 H SER 3 4.032 -25.127 -2.918 10 HA SER 3 HA SER 3 1.635 -24.887 -4.554 11 HB2 SER 3 1HB SER 3 1.631 -25.151 -1.565 12 HB3 SER 3 2HB SER 3 0.407 -24.160 -2.359 13 HG SER 3 HG SER 3 0.855 -26.704 -3.397 14 H GLY 4 H GLY 4 0.900 -22.761 -4.804 15 HA2 GLY 4 1HA GLY 4 1.978 -20.573 -3.326 16 HA3 GLY 4 2HA GLY 4 2.789 -20.750 -4.874 17 H SER 5 H SER 5 0.985 -21.264 -6.683 18 HA SER 5 HA SER 5 -0.413 -18.834 -7.009 19 HB2 SER 5 1HB SER 5 -0.582 -21.461 -8.494 20 HB3 SER 5 2HB SER 5 -1.457 -20.012 -8.988 21 HG SER 5 HG SER 5 0.880 -19.103 -8.750 22 H SER 6 H SER 6 -1.868 -18.458 -5.378 23 HA SER 6 HA SER 6 -4.159 -20.308 -5.243 24 HB2 SER 6 1HB SER 6 -2.795 -20.266 -3.154 25 HB3 SER 6 2HB SER 6 -3.140 -18.543 -3.005 26 HG SER 6 HG SER 6 -5.465 -19.492 -3.265 27 H GLY 7 H GLY 7 -6.125 -19.481 -5.637 28 HA2 GLY 7 1HA GLY 7 -7.754 -17.717 -5.446 29 HA3 GLY 7 2HA GLY 7 -6.445 -16.553 -5.583 30 H GLU 8 H GLU 8 -8.798 -18.375 -7.251 31 HA GLU 8 HA GLU 8 -7.612 -18.000 -9.866 32 HB2 GLU 8 1HB GLU 8 -10.352 -19.019 -9.091 33 HB3 GLU 8 2HB GLU 8 -9.660 -19.068 -10.706 34 HG2 GLU 8 1HG GLU 8 -7.976 -20.615 -10.012 35 HG3 GLU 8 2HG GLU 8 -8.457 -20.454 -8.324 36 H GLY 9 H GLY 9 -7.494 -15.847 -10.331 37 HA2 GLY 9 1HA GLY 9 -9.237 -14.408 -11.640 38 HA3 GLY 9 2HA GLY 9 -9.917 -14.220 -10.031 39 H GLU 10 H GLU 10 -8.132 -12.674 -12.234 40 HA GLU 10 HA GLU 10 -6.316 -11.434 -10.285 41 HB2 GLU 10 1HB GLU 10 -6.330 -11.242 -13.303 42 HB3 GLU 10 2HB GLU 10 -5.146 -10.500 -12.236 43 HG2 GLU 10 1HG GLU 10 -4.070 -12.404 -12.980 44 HG3 GLU 10 2HG GLU 10 -4.700 -12.890 -11.407 45 H LYS 11 H LYS 11 -6.742 -9.478 -9.512 46 HA LYS 11 HA LYS 11 -9.096 -8.067 -10.305 47 HB2 LYS 11 1HB LYS 11 -6.881 -7.489 -8.351 48 HB3 LYS 11 2HB LYS 11 -8.153 -6.318 -8.672 49 HG2 LYS 11 1HG LYS 11 -9.781 -8.202 -8.090 50 HG3 LYS 11 2HG LYS 11 -8.375 -9.029 -7.414 51 HD2 LYS 11 1HD LYS 11 -7.962 -7.127 -5.936 52 HD3 LYS 11 2HD LYS 11 -9.352 -6.283 -6.624 53 HE2 LYS 11 1HE LYS 11 -10.156 -7.218 -4.634 54 HE3 LYS 11 2HE LYS 11 -10.720 -8.312 -5.895 55 HZ1 LYS 11 3HZ LYS 11 -8.920 -9.810 -5.388 56 HZ2 LYS 11 1HZ LYS 11 -9.796 -9.490 -3.977 57 HZ3 LYS 11 2HZ LYS 11 -8.300 -8.744 -4.230 58 HA PRO 12 HA PRO 12 -7.432 -5.461 -13.437 59 HB2 PRO 12 1HB PRO 12 -9.199 -3.406 -13.279 60 HB3 PRO 12 2HB PRO 12 -9.610 -4.975 -13.982 61 HG2 PRO 12 1HG PRO 12 -10.196 -3.915 -11.245 62 HG3 PRO 12 2HG PRO 12 -11.252 -4.824 -12.342 63 HD2 PRO 12 1HD PRO 12 -9.968 -5.986 -10.260 64 HD3 PRO 12 2HD PRO 12 -10.309 -6.849 -11.774 65 H TYR 13 H TYR 13 -7.339 -4.743 -10.164 66 HA TYR 13 HA TYR 13 -5.718 -2.335 -10.668 67 HB2 TYR 13 1HB TYR 13 -7.415 -2.883 -8.225 68 HB3 TYR 13 2HB TYR 13 -6.442 -1.445 -8.513 69 HD1 TYR 13 HD2 TYR 13 -7.038 -0.070 -10.643 70 HD2 TYR 13 HD1 TYR 13 -9.657 -2.894 -8.835 71 HE1 TYR 13 HE2 TYR 13 -8.953 1.009 -11.745 72 HE2 TYR 13 HE1 TYR 13 -11.579 -1.823 -9.933 73 HH TYR 13 HH TYR 13 -11.515 -0.047 -12.430 74 H GLN 14 H GLN 14 -3.820 -3.586 -10.773 75 HA GLN 14 HA GLN 14 -2.934 -4.622 -8.163 76 HB2 GLN 14 1HB GLN 14 -3.277 -6.521 -9.599 77 HB3 GLN 14 2HB GLN 14 -2.388 -5.755 -10.908 78 HG2 GLN 14 1HG GLN 14 -0.990 -6.214 -8.328 79 HG3 GLN 14 2HG GLN 14 -1.290 -7.592 -9.385 80 HE21 GLN 14 1HE2 GLN 14 -0.481 -7.463 -11.576 81 HE22 GLN 14 2HE2 GLN 14 0.955 -6.557 -11.897 82 H CYS 15 H CYS 15 -1.474 -3.255 -7.386 83 HA CYS 15 HA CYS 15 -0.034 -1.382 -8.900 84 HB2 CYS 15 1HB CYS 15 -0.494 -1.199 -6.458 85 HB3 CYS 15 2HB CYS 15 0.687 -2.474 -6.173 86 H SER 16 H SER 16 1.375 -1.926 -10.435 87 HA SER 16 HA SER 16 2.864 -4.340 -10.446 88 HB2 SER 16 1HB SER 16 2.160 -2.758 -12.419 89 HB3 SER 16 2HB SER 16 3.691 -1.957 -12.068 90 HG SER 16 HG SER 16 4.507 -4.280 -12.163 91 H GLU 17 H GLU 17 3.675 -0.990 -9.645 92 HA GLU 17 HA GLU 17 6.344 -0.948 -9.403 93 HB2 GLU 17 1HB GLU 17 4.452 0.003 -7.244 94 HB3 GLU 17 2HB GLU 17 6.112 0.538 -7.464 95 HG2 GLU 17 1HG GLU 17 3.726 1.085 -9.186 96 HG3 GLU 17 2HG GLU 17 4.805 2.231 -8.393 97 H CYS 18 H CYS 18 4.228 -2.227 -6.832 98 HA CYS 18 HA CYS 18 6.546 -3.695 -5.768 99 HB2 CYS 18 1HB CYS 18 5.152 -3.875 -3.676 100 HB3 CYS 18 2HB CYS 18 5.644 -2.239 -4.101 101 H GLY 19 H GLY 19 3.042 -4.032 -6.323 102 HA2 GLY 19 1HA GLY 19 2.390 -6.036 -7.640 103 HA3 GLY 19 2HA GLY 19 3.491 -6.940 -6.611 104 H LYS 20 H LYS 20 1.200 -4.435 -5.626 105 HA LYS 20 HA LYS 20 -0.205 -6.478 -4.032 106 HB2 LYS 20 1HB LYS 20 0.675 -3.707 -3.402 107 HB3 LYS 20 2HB LYS 20 -0.852 -4.246 -2.717 108 HG2 LYS 20 1HG LYS 20 0.787 -4.697 -1.093 109 HG3 LYS 20 2HG LYS 20 0.397 -6.253 -1.830 110 HD2 LYS 20 1HD LYS 20 2.423 -6.406 -2.900 111 HD3 LYS 20 2HD LYS 20 2.644 -4.656 -2.962 112 HE2 LYS 20 1HE LYS 20 4.179 -5.215 -1.355 113 HE3 LYS 20 2HE LYS 20 2.765 -4.903 -0.350 114 HZ1 LYS 20 3HZ LYS 20 2.316 -7.350 -0.489 115 HZ2 LYS 20 1HZ LYS 20 3.699 -6.923 0.387 116 HZ3 LYS 20 2HZ LYS 20 3.848 -7.532 -1.184 117 H SER 21 H SER 21 -2.310 -6.758 -4.401 118 HA SER 21 HA SER 21 -3.660 -4.848 -6.179 119 HB2 SER 21 1HB SER 21 -5.274 -6.730 -6.571 120 HB3 SER 21 2HB SER 21 -3.623 -7.085 -7.080 121 HG SER 21 HG SER 21 -4.836 -8.714 -5.755 122 H PHE 22 H PHE 22 -6.002 -4.520 -5.802 123 HA PHE 22 HA PHE 22 -6.949 -4.932 -3.092 124 HB2 PHE 22 1HB PHE 22 -6.700 -2.128 -4.196 125 HB3 PHE 22 2HB PHE 22 -7.340 -2.586 -2.622 126 HD1 PHE 22 HD2 PHE 22 -5.763 -3.691 -0.969 127 HD2 PHE 22 HD1 PHE 22 -4.429 -1.702 -4.487 128 HE1 PHE 22 HE2 PHE 22 -3.514 -3.483 0.006 129 HE2 PHE 22 HE1 PHE 22 -2.177 -1.491 -3.519 130 HZ PHE 22 HZ PHE 22 -1.718 -2.381 -1.269 131 H SER 23 H SER 23 -9.212 -4.113 -2.830 132 HA SER 23 HA SER 23 -10.676 -4.553 -5.334 133 HB2 SER 23 1HB SER 23 -11.054 -5.979 -3.216 134 HB3 SER 23 2HB SER 23 -11.900 -4.568 -2.582 135 HG SER 23 HG SER 23 -12.721 -6.400 -4.414 136 H GLY 24 H GLY 24 -9.602 -2.053 -5.161 137 HA2 GLY 24 1HA GLY 24 -11.814 -0.383 -5.549 138 HA3 GLY 24 2HA GLY 24 -11.221 -0.109 -3.918 139 H SER 25 H SER 25 -11.177 1.282 -6.753 140 HA SER 25 HA SER 25 -8.580 1.678 -7.586 141 HB2 SER 25 1HB SER 25 -9.365 3.922 -8.385 142 HB3 SER 25 2HB SER 25 -10.426 2.590 -8.846 143 HG SER 25 HG SER 25 -11.915 3.258 -7.424 144 H TYR 26 H TYR 26 -10.357 3.792 -5.324 145 HA TYR 26 HA TYR 26 -8.391 5.523 -4.599 146 HB2 TYR 26 1HB TYR 26 -10.707 5.615 -3.750 147 HB3 TYR 26 2HB TYR 26 -10.370 4.243 -2.701 148 HD1 TYR 26 HD2 TYR 26 -8.785 4.501 -0.804 149 HD2 TYR 26 HD1 TYR 26 -10.028 7.822 -3.156 150 HE1 TYR 26 HE2 TYR 26 -8.005 6.032 0.956 151 HE2 TYR 26 HE1 TYR 26 -9.251 9.362 -1.403 152 HH TYR 26 HH TYR 26 -8.453 8.339 1.720 153 H ARG 27 H ARG 27 -9.047 2.455 -2.896 154 HA ARG 27 HA ARG 27 -7.084 2.407 -1.044 155 HB2 ARG 27 1HB ARG 27 -8.260 0.256 -2.750 156 HB3 ARG 27 2HB ARG 27 -6.892 -0.141 -1.719 157 HG2 ARG 27 1HG ARG 27 -9.397 1.165 -0.692 158 HG3 ARG 27 2HG ARG 27 -9.165 -0.583 -0.747 159 HD2 ARG 27 1HD ARG 27 -7.353 1.354 0.688 160 HD3 ARG 27 2HD ARG 27 -8.630 0.413 1.458 161 HE ARG 27 HE ARG 27 -6.769 -1.210 0.008 162 HH11 ARG 27 1HH1 ARG 27 -7.354 0.429 3.024 163 HH12 ARG 27 2HH1 ARG 27 -6.316 -0.613 3.941 164 HH21 ARG 27 1HH2 ARG 27 -5.400 -2.587 1.204 165 HH22 ARG 27 2HH2 ARG 27 -5.205 -2.327 2.905 166 H LEU 28 H LEU 28 -6.669 1.642 -4.479 167 HA LEU 28 HA LEU 28 -3.952 0.914 -4.336 168 HB2 LEU 28 1HB LEU 28 -5.483 0.443 -6.237 169 HB3 LEU 28 2HB LEU 28 -5.408 2.149 -6.669 170 HG LEU 28 HG LEU 28 -2.800 1.613 -6.731 171 HD11 LEU 28 1HD1 LEU 28 -3.861 -0.966 -7.791 172 HD12 LEU 28 2HD1 LEU 28 -3.481 -0.818 -6.075 173 HD13 LEU 28 3HD1 LEU 28 -2.225 -0.544 -7.283 174 HD21 LEU 28 3HD2 LEU 28 -3.224 2.286 -8.801 175 HD22 LEU 28 1HD2 LEU 28 -4.922 1.841 -8.627 176 HD23 LEU 28 2HD2 LEU 28 -3.754 0.653 -9.207 177 H THR 29 H THR 29 -5.485 3.999 -5.234 178 HA THR 29 HA THR 29 -3.182 5.473 -5.716 179 HB THR 29 HB THR 29 -5.667 6.601 -4.425 180 HG1 THR 29 HG1 THR 29 -5.182 5.688 -7.048 181 HG21 THR 29 3HG2 THR 29 -4.492 8.183 -6.512 182 HG22 THR 29 1HG2 THR 29 -3.266 7.775 -5.311 183 HG23 THR 29 2HG2 THR 29 -4.748 8.593 -4.816 184 H GLN 30 H GLN 30 -5.108 5.602 -2.712 185 HA GLN 30 HA GLN 30 -3.433 7.074 -1.148 186 HB2 GLN 30 1HB GLN 30 -4.402 5.940 0.797 187 HB3 GLN 30 2HB GLN 30 -5.633 6.315 -0.401 188 HG2 GLN 30 1HG GLN 30 -6.002 4.128 -0.917 189 HG3 GLN 30 2HG GLN 30 -4.362 3.636 -0.499 190 HE21 GLN 30 1HE2 GLN 30 -7.566 3.738 0.492 191 HE22 GLN 30 2HE2 GLN 30 -7.341 3.264 2.138 192 H HIS 31 H HIS 31 -2.941 3.842 -2.267 193 HA HIS 31 HA HIS 31 -0.799 3.313 -0.377 194 HB2 HIS 31 1HB HIS 31 -1.908 1.333 -0.801 195 HB3 HIS 31 2HB HIS 31 -2.211 1.740 -2.487 196 HD1 HIS 31 HD1 HIS 31 0.325 0.189 -0.235 197 HD2 HIS 31 HD2 HIS 31 -0.146 1.065 -4.269 198 HE1 HIS 31 HE1 HIS 31 2.152 -1.073 -1.415 199 H TRP 32 H TRP 32 -1.212 4.003 -3.815 200 HA TRP 32 HA TRP 32 1.360 3.591 -4.730 201 HB2 TRP 32 1HB TRP 32 -0.882 5.371 -5.543 202 HB3 TRP 32 2HB TRP 32 0.706 5.709 -6.227 203 HD1 TRP 32 HD1 TRP 32 -0.993 2.270 -5.623 204 HE1 TRP 32 HE1 TRP 32 -1.024 1.002 -7.863 205 HE3 TRP 32 HE3 TRP 32 1.032 5.878 -8.625 206 HZ2 TRP 32 HZ2 TRP 32 -0.286 1.470 -10.547 207 HZ3 TRP 32 HZ3 TRP 32 1.337 5.388 -11.017 208 HH2 TRP 32 HH2 TRP 32 0.691 3.229 -11.956 209 H ILE 33 H ILE 33 0.207 6.003 -2.571 210 HA ILE 33 HA ILE 33 2.047 8.062 -2.970 211 HB ILE 33 HB ILE 33 0.936 7.191 -0.301 212 HG12 ILE 33 1HG1 ILE 33 -0.878 7.438 -1.920 213 HG13 ILE 33 2HG1 ILE 33 -0.909 8.762 -0.761 214 HG21 ILE 33 1HG2 ILE 33 2.712 9.250 -1.025 215 HG22 ILE 33 2HG2 ILE 33 1.165 10.017 -0.669 216 HG23 ILE 33 3HG2 ILE 33 1.936 8.987 0.536 217 HD11 ILE 33 3HD1 ILE 33 0.077 10.251 -2.371 218 HD12 ILE 33 1HD1 ILE 33 0.271 8.930 -3.523 219 HD13 ILE 33 2HD1 ILE 33 -1.344 9.478 -3.073 220 H THR 34 H THR 34 2.422 4.946 -1.485 221 HA THR 34 HA THR 34 4.711 5.431 0.070 222 HB THR 34 HB THR 34 5.124 2.997 -0.079 223 HG1 THR 34 HG1 THR 34 2.794 2.691 -1.621 224 HG21 THR 34 3HG2 THR 34 2.232 3.759 0.348 225 HG22 THR 34 1HG2 THR 34 3.516 3.821 1.554 226 HG23 THR 34 2HG2 THR 34 2.988 2.267 0.909 227 H HIS 35 H HIS 35 4.287 4.866 -3.349 228 HA HIS 35 HA HIS 35 7.164 4.615 -3.768 229 HB2 HIS 35 1HB HIS 35 5.103 4.672 -5.956 230 HB3 HIS 35 2HB HIS 35 6.682 3.890 -5.947 231 HD1 HIS 35 HD1 HIS 35 6.766 1.888 -3.950 232 HD2 HIS 35 HD2 HIS 35 3.114 2.881 -5.663 233 HE1 HIS 35 HE1 HIS 35 5.261 -0.079 -3.512 234 H THR 36 H THR 36 5.663 7.126 -2.926 235 HA THR 36 HA THR 36 6.716 8.872 -5.055 236 HB THR 36 HB THR 36 4.376 9.530 -3.259 237 HG1 THR 36 HG1 THR 36 3.170 9.219 -5.257 238 HG21 THR 36 3HG2 THR 36 4.435 11.587 -4.134 239 HG22 THR 36 1HG2 THR 36 4.620 10.962 -5.772 240 HG23 THR 36 2HG2 THR 36 6.038 11.182 -4.746 241 H ARG 37 H ARG 37 5.694 9.033 -1.636 242 HA ARG 37 HA ARG 37 7.139 11.220 -0.840 243 HB2 ARG 37 1HB ARG 37 7.118 10.257 1.430 244 HB3 ARG 37 2HB ARG 37 5.559 10.105 0.630 245 HG2 ARG 37 1HG ARG 37 6.097 7.764 0.083 246 HG3 ARG 37 2HG ARG 37 7.616 7.932 0.967 247 HD2 ARG 37 1HD ARG 37 6.158 8.654 2.947 248 HD3 ARG 37 2HD ARG 37 4.808 7.994 2.026 249 HE ARG 37 HE ARG 37 6.792 6.046 2.115 250 HH11 ARG 37 1HH1 ARG 37 4.687 7.732 4.316 251 HH12 ARG 37 2HH1 ARG 37 4.608 6.423 5.449 252 HH21 ARG 37 1HH2 ARG 37 6.697 4.316 3.598 253 HH22 ARG 37 2HH2 ARG 37 5.753 4.481 5.040 254 H GLU 38 H GLU 38 8.262 7.859 -1.012 255 HA GLU 38 HA GLU 38 10.995 8.799 -1.277 256 HB2 GLU 38 1HB GLU 38 9.973 7.325 1.100 257 HB3 GLU 38 2HB GLU 38 11.562 6.890 0.489 258 HG2 GLU 38 1HG GLU 38 10.719 9.668 1.281 259 HG3 GLU 38 2HG GLU 38 11.644 8.559 2.292 260 H LYS 39 H LYS 39 11.751 7.771 -2.993 261 HA LYS 39 HA LYS 39 10.703 5.810 -4.474 262 HB2 LYS 39 1HB LYS 39 13.621 6.215 -3.818 263 HB3 LYS 39 2HB LYS 39 13.066 5.114 -5.072 264 HG2 LYS 39 1HG LYS 39 12.372 6.815 -6.452 265 HG3 LYS 39 2HG LYS 39 12.164 7.955 -5.120 266 HD2 LYS 39 1HD LYS 39 14.888 6.917 -5.797 267 HD3 LYS 39 2HD LYS 39 14.178 8.225 -6.747 268 HE2 LYS 39 1HE LYS 39 15.301 9.419 -5.141 269 HE3 LYS 39 2HE LYS 39 13.712 9.270 -4.391 270 HZ1 LYS 39 3HZ LYS 39 16.072 8.558 -3.255 271 HZ2 LYS 39 1HZ LYS 39 15.450 7.073 -3.776 272 HZ3 LYS 39 2HZ LYS 39 14.542 8.054 -2.739 273 HA PRO 40 HA PRO 40 10.503 2.082 -2.143 274 HB2 PRO 40 1HB PRO 40 10.428 0.296 -4.185 275 HB3 PRO 40 2HB PRO 40 9.056 1.325 -3.759 276 HG2 PRO 40 1HG PRO 40 11.087 1.680 -5.929 277 HG3 PRO 40 2HG PRO 40 9.331 1.921 -5.990 278 HD2 PRO 40 1HD PRO 40 11.075 3.976 -5.733 279 HD3 PRO 40 2HD PRO 40 9.456 4.001 -5.005 280 H SER 41 H SER 41 11.593 -0.106 -2.016 281 HA SER 41 HA SER 41 14.322 -0.142 -3.048 282 HB2 SER 41 1HB SER 41 14.589 0.992 -0.922 283 HB3 SER 41 2HB SER 41 13.648 -0.252 -0.099 284 HG SER 41 HG SER 41 15.986 -0.912 -1.529 285 H GLY 42 H GLY 42 15.307 -2.212 -3.008 286 HA2 GLY 42 1HA GLY 42 14.155 -4.512 -1.869 287 HA3 GLY 42 2HA GLY 42 13.574 -4.357 -3.521 288 HA PRO 43 HA PRO 43 17.479 -6.788 -3.711 289 HB2 PRO 43 1HB PRO 43 16.576 -8.497 -5.618 290 HB3 PRO 43 2HB PRO 43 16.282 -8.741 -3.892 291 HG2 PRO 43 1HG PRO 43 14.469 -7.591 -5.977 292 HG3 PRO 43 2HG PRO 43 14.094 -8.739 -4.678 293 HD2 PRO 43 1HD PRO 43 13.517 -6.099 -4.501 294 HD3 PRO 43 2HD PRO 43 13.945 -7.080 -3.085 295 H SER 44 H SER 44 15.387 -5.860 -6.445 296 HA SER 44 HA SER 44 15.842 -4.940 -8.475 297 HB2 SER 44 1HB SER 44 16.756 -3.119 -7.078 298 HB3 SER 44 2HB SER 44 18.328 -3.917 -7.079 299 HG SER 44 HG SER 44 18.226 -2.305 -8.680 300 H SER 45 H SER 45 16.531 -7.605 -8.219 301 HA SER 45 HA SER 45 18.746 -7.775 -10.127 302 HB2 SER 45 1HB SER 45 18.495 -9.517 -7.663 303 HB3 SER 45 2HB SER 45 19.677 -9.739 -8.953 304 HG SER 45 HG SER 45 20.071 -7.324 -8.333 305 H GLY 46 H GLY 46 18.787 -9.834 -11.308 306 HA2 GLY 46 1HA GLY 46 16.646 -11.689 -11.145 307 HA3 GLY 46 2HA GLY 46 16.319 -10.500 -12.396 Start of MODEL 4 1 H1 GLY 1 H GLY 1 12.866 -14.311 -11.088 2 HA2 GLY 1 1HA GLY 1 12.062 -15.122 -8.976 3 HA3 GLY 1 2HA GLY 1 11.052 -13.743 -9.384 4 H SER 2 H SER 2 10.083 -15.607 -7.667 5 HA SER 2 HA SER 2 8.616 -17.687 -8.924 6 HB2 SER 2 1HB SER 2 8.168 -16.353 -6.243 7 HB3 SER 2 2HB SER 2 7.432 -17.868 -6.765 8 HG SER 2 HG SER 2 9.288 -18.244 -5.503 9 H SER 3 H SER 3 6.290 -17.843 -9.096 10 HA SER 3 HA SER 3 5.158 -15.444 -10.233 11 HB2 SER 3 1HB SER 3 3.331 -16.865 -10.952 12 HB3 SER 3 2HB SER 3 4.854 -17.694 -11.271 13 HG SER 3 HG SER 3 4.397 -19.146 -9.782 14 H GLY 4 H GLY 4 3.072 -14.585 -9.637 15 HA2 GLY 4 1HA GLY 4 2.297 -15.139 -6.847 16 HA3 GLY 4 2HA GLY 4 2.567 -13.487 -7.381 17 H SER 5 H SER 5 0.417 -16.199 -7.416 18 HA SER 5 HA SER 5 -1.597 -14.544 -8.794 19 HB2 SER 5 1HB SER 5 -1.457 -17.568 -8.754 20 HB3 SER 5 2HB SER 5 -2.620 -16.583 -9.640 21 HG SER 5 HG SER 5 0.162 -16.327 -10.055 22 H SER 6 H SER 6 -2.200 -13.650 -6.752 23 HA SER 6 HA SER 6 -3.536 -15.523 -4.921 24 HB2 SER 6 1HB SER 6 -1.715 -13.757 -4.197 25 HB3 SER 6 2HB SER 6 -3.083 -12.645 -4.232 26 HG SER 6 HG SER 6 -3.682 -13.453 -2.400 27 H GLY 7 H GLY 7 -5.605 -14.898 -4.013 28 HA2 GLY 7 1HA GLY 7 -7.630 -13.682 -4.034 29 HA3 GLY 7 2HA GLY 7 -7.109 -12.887 -5.513 30 H GLU 8 H GLU 8 -9.043 -13.303 -6.587 31 HA GLU 8 HA GLU 8 -9.830 -16.089 -6.960 32 HB2 GLU 8 1HB GLU 8 -11.431 -14.085 -6.496 33 HB3 GLU 8 2HB GLU 8 -11.231 -13.750 -8.210 34 HG2 GLU 8 1HG GLU 8 -12.098 -15.930 -8.777 35 HG3 GLU 8 2HG GLU 8 -12.206 -16.359 -7.071 36 H GLY 9 H GLY 9 -8.814 -13.274 -8.864 37 HA2 GLY 9 1HA GLY 9 -7.413 -14.834 -10.756 38 HA3 GLY 9 2HA GLY 9 -8.991 -14.415 -11.408 39 H GLU 10 H GLU 10 -8.905 -12.727 -12.715 40 HA GLU 10 HA GLU 10 -6.706 -10.911 -12.725 41 HB2 GLU 10 1HB GLU 10 -8.287 -11.679 -14.670 42 HB3 GLU 10 2HB GLU 10 -9.285 -10.335 -14.134 43 HG2 GLU 10 1HG GLU 10 -6.398 -9.847 -14.637 44 HG3 GLU 10 2HG GLU 10 -7.481 -10.037 -16.015 45 H LYS 11 H LYS 11 -6.433 -9.190 -11.486 46 HA LYS 11 HA LYS 11 -8.683 -8.142 -9.956 47 HB2 LYS 11 1HB LYS 11 -5.701 -7.734 -9.795 48 HB3 LYS 11 2HB LYS 11 -6.830 -6.763 -8.860 49 HG2 LYS 11 1HG LYS 11 -6.323 -8.386 -7.342 50 HG3 LYS 11 2HG LYS 11 -7.737 -9.109 -8.113 51 HD2 LYS 11 1HD LYS 11 -6.130 -10.830 -8.006 52 HD3 LYS 11 2HD LYS 11 -6.102 -10.267 -9.679 53 HE2 LYS 11 1HE LYS 11 -4.213 -8.684 -8.787 54 HE3 LYS 11 2HE LYS 11 -4.088 -9.891 -7.507 55 HZ1 LYS 11 3HZ LYS 11 -3.699 -11.585 -9.162 56 HZ2 LYS 11 1HZ LYS 11 -2.574 -10.336 -9.356 57 HZ3 LYS 11 2HZ LYS 11 -3.887 -10.464 -10.415 58 HA PRO 12 HA PRO 12 -9.287 -4.624 -12.531 59 HB2 PRO 12 1HB PRO 12 -10.399 -2.940 -10.716 60 HB3 PRO 12 2HB PRO 12 -11.264 -4.322 -11.401 61 HG2 PRO 12 1HG PRO 12 -9.869 -4.078 -8.763 62 HG3 PRO 12 2HG PRO 12 -11.438 -4.817 -9.135 63 HD2 PRO 12 1HD PRO 12 -9.186 -6.278 -8.783 64 HD3 PRO 12 2HD PRO 12 -10.479 -6.770 -9.895 65 H TYR 13 H TYR 13 -7.336 -4.514 -9.676 66 HA TYR 13 HA TYR 13 -5.652 -2.486 -10.844 67 HB2 TYR 13 1HB TYR 13 -6.897 -1.937 -8.144 68 HB3 TYR 13 2HB TYR 13 -5.782 -0.900 -9.027 69 HD1 TYR 13 HD1 TYR 13 -9.233 -2.149 -8.857 70 HD2 TYR 13 HD2 TYR 13 -6.547 0.481 -10.849 71 HE1 TYR 13 HE1 TYR 13 -11.140 -1.012 -9.914 72 HE2 TYR 13 HE2 TYR 13 -8.447 1.626 -11.911 73 HH TYR 13 HH TYR 13 -11.616 0.362 -11.859 74 H GLN 14 H GLN 14 -3.704 -3.343 -10.616 75 HA GLN 14 HA GLN 14 -2.986 -4.533 -8.022 76 HB2 GLN 14 1HB GLN 14 -3.359 -6.330 -9.645 77 HB3 GLN 14 2HB GLN 14 -2.219 -5.579 -10.753 78 HG2 GLN 14 1HG GLN 14 -0.433 -5.905 -9.085 79 HG3 GLN 14 2HG GLN 14 -1.590 -6.742 -8.050 80 HE21 GLN 14 1HE2 GLN 14 0.091 -6.850 -11.125 81 HE22 GLN 14 2HE2 GLN 14 -0.040 -8.558 -11.352 82 H CYS 15 H CYS 15 -1.598 -3.129 -7.156 83 HA CYS 15 HA CYS 15 -0.047 -1.255 -8.483 84 HB2 CYS 15 1HB CYS 15 -0.477 -1.149 -6.080 85 HB3 CYS 15 2HB CYS 15 0.495 -2.594 -5.825 86 H SER 16 H SER 16 1.709 -1.380 -9.707 87 HA SER 16 HA SER 16 3.079 -3.926 -9.979 88 HB2 SER 16 1HB SER 16 2.355 -2.262 -11.882 89 HB3 SER 16 2HB SER 16 3.877 -1.463 -11.489 90 HG SER 16 HG SER 16 3.844 -3.228 -13.158 91 H GLU 17 H GLU 17 3.732 -0.655 -8.862 92 HA GLU 17 HA GLU 17 6.401 -0.468 -8.651 93 HB2 GLU 17 1HB GLU 17 4.314 0.196 -6.583 94 HB3 GLU 17 2HB GLU 17 6.011 0.594 -6.353 95 HG2 GLU 17 1HG GLU 17 4.103 1.654 -8.403 96 HG3 GLU 17 2HG GLU 17 5.036 2.540 -7.198 97 H CYS 18 H CYS 18 4.371 -2.322 -6.396 98 HA CYS 18 HA CYS 18 6.798 -3.759 -5.540 99 HB2 CYS 18 1HB CYS 18 5.622 -4.144 -3.371 100 HB3 CYS 18 2HB CYS 18 5.978 -2.449 -3.689 101 H GLY 19 H GLY 19 3.274 -4.044 -5.945 102 HA2 GLY 19 1HA GLY 19 2.568 -5.930 -7.409 103 HA3 GLY 19 2HA GLY 19 3.686 -6.922 -6.485 104 H LYS 20 H LYS 20 1.112 -4.594 -5.660 105 HA LYS 20 HA LYS 20 -0.167 -6.709 -4.068 106 HB2 LYS 20 1HB LYS 20 0.744 -4.014 -3.194 107 HB3 LYS 20 2HB LYS 20 -0.785 -4.600 -2.552 108 HG2 LYS 20 1HG LYS 20 0.728 -5.296 -0.960 109 HG3 LYS 20 2HG LYS 20 0.552 -6.735 -1.967 110 HD2 LYS 20 1HD LYS 20 2.582 -5.902 -3.249 111 HD3 LYS 20 2HD LYS 20 2.811 -4.747 -1.933 112 HE2 LYS 20 1HE LYS 20 2.993 -6.565 -0.337 113 HE3 LYS 20 2HE LYS 20 2.671 -7.744 -1.609 114 HZ1 LYS 20 3HZ LYS 20 5.081 -6.099 -1.183 115 HZ2 LYS 20 1HZ LYS 20 4.726 -6.715 -2.718 116 HZ3 LYS 20 2HZ LYS 20 4.961 -7.770 -1.417 117 H SER 21 H SER 21 -2.248 -6.963 -4.537 118 HA SER 21 HA SER 21 -3.591 -4.867 -6.093 119 HB2 SER 21 1HB SER 21 -5.033 -6.561 -6.953 120 HB3 SER 21 2HB SER 21 -3.405 -7.236 -6.995 121 HG SER 21 HG SER 21 -4.010 -8.137 -4.843 122 H PHE 22 H PHE 22 -5.738 -4.246 -5.598 123 HA PHE 22 HA PHE 22 -6.676 -4.949 -2.905 124 HB2 PHE 22 1HB PHE 22 -6.625 -2.139 -4.024 125 HB3 PHE 22 2HB PHE 22 -7.221 -2.620 -2.439 126 HD1 PHE 22 HD1 PHE 22 -4.251 -2.058 -4.496 127 HD2 PHE 22 HD2 PHE 22 -5.700 -3.160 -0.648 128 HE1 PHE 22 HE1 PHE 22 -2.003 -1.719 -3.555 129 HE2 PHE 22 HE2 PHE 22 -3.454 -2.823 0.298 130 HZ PHE 22 HZ PHE 22 -1.602 -2.100 -1.155 131 H SER 23 H SER 23 -8.974 -4.298 -2.549 132 HA SER 23 HA SER 23 -10.521 -4.985 -4.921 133 HB2 SER 23 1HB SER 23 -12.356 -5.408 -3.395 134 HB3 SER 23 2HB SER 23 -10.902 -6.179 -2.762 135 HG SER 23 HG SER 23 -12.419 -4.175 -1.697 136 H GLY 24 H GLY 24 -9.421 -2.438 -5.049 137 HA2 GLY 24 1HA GLY 24 -11.539 -0.857 -5.828 138 HA3 GLY 24 2HA GLY 24 -11.245 -0.435 -4.148 139 H SER 25 H SER 25 -10.816 0.873 -6.923 140 HA SER 25 HA SER 25 -8.040 1.282 -7.230 141 HB2 SER 25 1HB SER 25 -8.608 2.972 -8.801 142 HB3 SER 25 2HB SER 25 -9.883 1.761 -8.930 143 HG SER 25 HG SER 25 -9.968 4.325 -7.781 144 H TYR 26 H TYR 26 -10.546 3.143 -5.550 145 HA TYR 26 HA TYR 26 -9.186 5.389 -4.810 146 HB2 TYR 26 1HB TYR 26 -11.597 4.586 -4.226 147 HB3 TYR 26 2HB TYR 26 -10.849 3.955 -2.763 148 HD1 TYR 26 HD2 TYR 26 -9.796 5.507 -1.145 149 HD2 TYR 26 HD1 TYR 26 -11.961 6.929 -4.520 150 HE1 TYR 26 HE2 TYR 26 -9.958 7.727 -0.098 151 HE2 TYR 26 HE1 TYR 26 -12.128 9.154 -3.484 152 HH TYR 26 HH TYR 26 -11.138 9.725 -0.190 153 H ARG 27 H ARG 27 -8.910 2.171 -3.409 154 HA ARG 27 HA ARG 27 -7.173 3.004 -1.282 155 HB2 ARG 27 1HB ARG 27 -8.607 1.033 -1.041 156 HB3 ARG 27 2HB ARG 27 -7.767 0.247 -2.371 157 HG2 ARG 27 1HG ARG 27 -6.719 -0.725 -0.599 158 HG3 ARG 27 2HG ARG 27 -5.661 0.664 -0.856 159 HD2 ARG 27 1HD ARG 27 -6.167 0.412 1.504 160 HD3 ARG 27 2HD ARG 27 -6.879 1.898 0.879 161 HE ARG 27 HE ARG 27 -8.663 -0.364 0.870 162 HH11 ARG 27 1HH1 ARG 27 -7.429 2.327 2.702 163 HH12 ARG 27 2HH1 ARG 27 -8.810 2.419 3.745 164 HH21 ARG 27 1HH2 ARG 27 -10.486 -0.253 2.236 165 HH22 ARG 27 2HH2 ARG 27 -10.548 0.950 3.479 166 H LEU 28 H LEU 28 -6.752 1.416 -4.419 167 HA LEU 28 HA LEU 28 -4.103 0.739 -4.352 168 HB2 LEU 28 1HB LEU 28 -5.764 0.428 -6.234 169 HB3 LEU 28 2HB LEU 28 -5.385 2.078 -6.722 170 HG LEU 28 HG LEU 28 -2.920 1.149 -6.759 171 HD11 LEU 28 1HD1 LEU 28 -3.104 -1.234 -7.730 172 HD12 LEU 28 2HD1 LEU 28 -4.640 -1.298 -6.866 173 HD13 LEU 28 3HD1 LEU 28 -3.141 -1.023 -5.979 174 HD21 LEU 28 3HD2 LEU 28 -3.248 1.656 -8.892 175 HD22 LEU 28 1HD2 LEU 28 -4.992 1.512 -8.675 176 HD23 LEU 28 2HD2 LEU 28 -4.042 0.100 -9.138 177 H THR 29 H THR 29 -5.196 3.784 -5.851 178 HA THR 29 HA THR 29 -2.825 5.070 -6.119 179 HB THR 29 HB THR 29 -4.740 6.182 -6.941 180 HG1 THR 29 HG1 THR 29 -4.189 8.169 -6.331 181 HG21 THR 29 3HG2 THR 29 -6.685 6.596 -5.812 182 HG22 THR 29 1HG2 THR 29 -5.870 6.816 -4.265 183 HG23 THR 29 2HG2 THR 29 -6.126 5.192 -4.903 184 H GLN 30 H GLN 30 -4.904 5.440 -3.239 185 HA GLN 30 HA GLN 30 -3.368 6.987 -1.647 186 HB2 GLN 30 1HB GLN 30 -5.004 4.564 -0.926 187 HB3 GLN 30 2HB GLN 30 -4.233 5.562 0.299 188 HG2 GLN 30 1HG GLN 30 -6.045 6.766 -1.755 189 HG3 GLN 30 2HG GLN 30 -6.687 6.011 -0.297 190 HE21 GLN 30 1HE2 GLN 30 -5.726 6.803 1.767 191 HE22 GLN 30 2HE2 GLN 30 -5.401 8.495 1.895 192 H HIS 31 H HIS 31 -2.851 3.566 -2.313 193 HA HIS 31 HA HIS 31 -0.648 3.341 -0.475 194 HB2 HIS 31 1HB HIS 31 -1.699 1.297 -0.745 195 HB3 HIS 31 2HB HIS 31 -1.956 1.538 -2.471 196 HD1 HIS 31 HD1 HIS 31 0.790 0.645 -0.029 197 HD2 HIS 31 HD2 HIS 31 -0.049 0.424 -4.092 198 HE1 HIS 31 HE1 HIS 31 2.638 -0.741 -1.023 199 H TRP 32 H TRP 32 -0.987 3.423 -4.015 200 HA TRP 32 HA TRP 32 1.575 3.123 -4.850 201 HB2 TRP 32 1HB TRP 32 -0.665 4.841 -5.831 202 HB3 TRP 32 2HB TRP 32 0.923 5.023 -6.570 203 HD1 TRP 32 HD1 TRP 32 -1.098 1.846 -5.584 204 HE1 TRP 32 HE1 TRP 32 -1.146 0.283 -7.628 205 HE3 TRP 32 HE3 TRP 32 1.480 4.764 -8.897 206 HZ2 TRP 32 HZ2 TRP 32 -0.213 0.286 -10.293 207 HZ3 TRP 32 HZ3 TRP 32 1.859 3.910 -11.173 208 HH2 TRP 32 HH2 TRP 32 1.030 1.717 -11.855 209 H ILE 33 H ILE 33 0.150 6.145 -3.641 210 HA ILE 33 HA ILE 33 2.089 7.972 -4.012 211 HB ILE 33 HB ILE 33 0.646 7.534 -1.394 212 HG12 ILE 33 1HG1 ILE 33 -0.060 9.341 -3.715 213 HG13 ILE 33 2HG1 ILE 33 -0.807 7.776 -3.414 214 HG21 ILE 33 1HG2 ILE 33 2.756 9.177 -1.754 215 HG22 ILE 33 2HG2 ILE 33 1.435 10.244 -2.226 216 HG23 ILE 33 3HG2 ILE 33 1.437 9.499 -0.628 217 HD11 ILE 33 3HD1 ILE 33 -2.345 9.060 -2.391 218 HD12 ILE 33 1HD1 ILE 33 -1.224 8.922 -1.037 219 HD13 ILE 33 2HD1 ILE 33 -1.201 10.360 -2.058 220 H THR 34 H THR 34 2.175 5.372 -1.627 221 HA THR 34 HA THR 34 4.340 6.054 -0.097 222 HB THR 34 HB THR 34 4.788 3.648 0.196 223 HG1 THR 34 HG1 THR 34 4.341 2.391 -1.438 224 HG21 THR 34 3HG2 THR 34 2.393 2.987 0.806 225 HG22 THR 34 1HG2 THR 34 1.927 4.576 0.200 226 HG23 THR 34 2HG2 THR 34 3.043 4.443 1.559 227 H HIS 35 H HIS 35 4.390 4.493 -3.284 228 HA HIS 35 HA HIS 35 7.239 4.315 -3.392 229 HB2 HIS 35 1HB HIS 35 5.346 4.244 -5.742 230 HB3 HIS 35 2HB HIS 35 6.949 3.523 -5.627 231 HD1 HIS 35 HD1 HIS 35 6.954 1.726 -3.371 232 HD2 HIS 35 HD2 HIS 35 3.476 2.320 -5.565 233 HE1 HIS 35 HE1 HIS 35 5.517 -0.287 -2.911 234 H THR 36 H THR 36 4.850 6.655 -4.432 235 HA THR 36 HA THR 36 6.487 8.185 -6.138 236 HB THR 36 HB THR 36 4.143 9.124 -4.473 237 HG1 THR 36 HG1 THR 36 2.978 8.709 -6.426 238 HG21 THR 36 3HG2 THR 36 4.337 11.130 -5.438 239 HG22 THR 36 1HG2 THR 36 4.560 10.418 -7.035 240 HG23 THR 36 2HG2 THR 36 5.944 10.628 -5.961 241 H ARG 37 H ARG 37 5.478 8.936 -2.794 242 HA ARG 37 HA ARG 37 7.008 11.128 -2.300 243 HB2 ARG 37 1HB ARG 37 6.348 8.827 -0.464 244 HB3 ARG 37 2HB ARG 37 7.129 10.299 0.097 245 HG2 ARG 37 1HG ARG 37 4.509 10.343 -1.365 246 HG3 ARG 37 2HG ARG 37 4.613 10.132 0.384 247 HD2 ARG 37 1HD ARG 37 5.576 12.257 0.689 248 HD3 ARG 37 2HD ARG 37 5.951 12.420 -1.026 249 HE ARG 37 HE ARG 37 3.162 12.181 -0.666 250 HH11 ARG 37 1HH1 ARG 37 5.786 14.421 -0.200 251 HH12 ARG 37 2HH1 ARG 37 4.786 15.828 -0.360 252 HH21 ARG 37 1HH2 ARG 37 1.836 14.025 -0.878 253 HH22 ARG 37 2HH2 ARG 37 2.539 15.601 -0.745 254 H GLU 38 H GLU 38 9.051 11.334 -3.023 255 HA GLU 38 HA GLU 38 11.014 9.554 -3.447 256 HB2 GLU 38 1HB GLU 38 11.007 12.175 -3.569 257 HB3 GLU 38 2HB GLU 38 11.779 12.057 -1.994 258 HG2 GLU 38 1HG GLU 38 12.778 10.844 -4.561 259 HG3 GLU 38 2HG GLU 38 13.429 12.269 -3.752 260 H LYS 39 H LYS 39 11.698 7.907 -2.258 261 HA LYS 39 HA LYS 39 12.830 8.347 0.343 262 HB2 LYS 39 1HB LYS 39 10.189 6.997 0.025 263 HB3 LYS 39 2HB LYS 39 11.313 6.349 1.212 264 HG2 LYS 39 1HG LYS 39 11.458 8.833 2.002 265 HG3 LYS 39 2HG LYS 39 9.912 8.978 1.163 266 HD2 LYS 39 1HD LYS 39 9.157 8.380 3.232 267 HD3 LYS 39 2HD LYS 39 9.382 6.773 2.537 268 HE2 LYS 39 1HE LYS 39 11.685 8.039 3.929 269 HE3 LYS 39 2HE LYS 39 10.358 7.423 4.912 270 HZ1 LYS 39 3HZ LYS 39 12.030 5.734 4.623 271 HZ2 LYS 39 1HZ LYS 39 11.944 5.871 2.939 272 HZ3 LYS 39 2HZ LYS 39 10.623 5.268 3.807 273 HA PRO 40 HA PRO 40 15.352 4.984 -0.929 274 HB2 PRO 40 1HB PRO 40 16.155 4.013 1.475 275 HB3 PRO 40 2HB PRO 40 16.749 5.539 0.809 276 HG2 PRO 40 1HG PRO 40 14.610 5.068 2.850 277 HG3 PRO 40 2HG PRO 40 15.898 6.287 2.840 278 HD2 PRO 40 1HD PRO 40 13.350 6.853 2.120 279 HD3 PRO 40 2HD PRO 40 14.751 7.669 1.395 280 H SER 41 H SER 41 14.760 3.072 -1.716 281 HA SER 41 HA SER 41 12.975 1.374 -0.098 282 HB2 SER 41 1HB SER 41 12.008 0.528 -2.163 283 HB3 SER 41 2HB SER 41 11.902 2.289 -2.147 284 HG SER 41 HG SER 41 14.010 2.117 -3.353 285 H GLY 42 H GLY 42 13.584 -0.679 0.296 286 HA2 GLY 42 1HA GLY 42 16.220 -1.503 0.036 287 HA3 GLY 42 2HA GLY 42 14.864 -2.584 0.324 288 HA PRO 43 HA PRO 43 16.844 -3.261 -3.928 289 HB2 PRO 43 1HB PRO 43 17.946 -5.689 -3.420 290 HB3 PRO 43 2HB PRO 43 18.810 -4.169 -3.161 291 HG2 PRO 43 1HG PRO 43 17.388 -5.902 -1.177 292 HG3 PRO 43 2HG PRO 43 18.957 -5.087 -1.030 293 HD2 PRO 43 1HD PRO 43 16.693 -4.101 0.081 294 HD3 PRO 43 2HD PRO 43 17.995 -3.055 -0.521 295 H SER 44 H SER 44 15.008 -3.684 -5.033 296 HA SER 44 HA SER 44 14.061 -6.377 -5.174 297 HB2 SER 44 1HB SER 44 12.891 -5.218 -3.129 298 HB3 SER 44 2HB SER 44 11.916 -4.440 -4.376 299 HG SER 44 HG SER 44 11.734 -6.935 -3.407 300 H SER 45 H SER 45 13.503 -6.741 -7.214 301 HA SER 45 HA SER 45 12.156 -4.687 -8.771 302 HB2 SER 45 1HB SER 45 14.908 -5.731 -9.404 303 HB3 SER 45 2HB SER 45 13.845 -5.132 -10.677 304 HG SER 45 HG SER 45 14.331 -3.186 -10.084 305 H GLY 46 H GLY 46 11.376 -5.517 -10.865 306 HA2 GLY 46 1HA GLY 46 10.732 -7.259 -12.308 307 HA3 GLY 46 2HA GLY 46 11.331 -8.423 -11.135 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -7.916 -37.226 -18.705 2 HA2 GLY 1 1HA GLY 1 -5.334 -37.390 -17.855 3 HA3 GLY 1 2HA GLY 1 -5.278 -36.140 -19.088 4 H SER 2 H SER 2 -4.506 -35.193 -16.834 5 HA SER 2 HA SER 2 -6.687 -34.293 -15.163 6 HB2 SER 2 1HB SER 2 -3.704 -33.928 -15.122 7 HB3 SER 2 2HB SER 2 -4.740 -32.930 -14.101 8 HG SER 2 HG SER 2 -4.684 -34.563 -12.788 9 H SER 3 H SER 3 -7.578 -32.287 -15.095 10 HA SER 3 HA SER 3 -6.455 -30.062 -16.526 11 HB2 SER 3 1HB SER 3 -8.886 -31.497 -17.586 12 HB3 SER 3 2HB SER 3 -8.586 -29.794 -17.935 13 HG SER 3 HG SER 3 -6.374 -30.732 -18.563 14 H GLY 4 H GLY 4 -7.898 -28.116 -16.375 15 HA2 GLY 4 1HA GLY 4 -10.076 -27.445 -15.190 16 HA3 GLY 4 2HA GLY 4 -9.319 -28.200 -13.796 17 H SER 5 H SER 5 -10.100 -25.327 -14.773 18 HA SER 5 HA SER 5 -7.684 -23.843 -14.766 19 HB2 SER 5 1HB SER 5 -9.583 -22.795 -15.738 20 HB3 SER 5 2HB SER 5 -10.565 -23.073 -14.300 21 HG SER 5 HG SER 5 -9.823 -20.914 -14.421 22 H SER 6 H SER 6 -6.639 -22.755 -13.140 23 HA SER 6 HA SER 6 -6.496 -23.855 -10.623 24 HB2 SER 6 1HB SER 6 -4.940 -22.136 -11.806 25 HB3 SER 6 2HB SER 6 -5.954 -20.925 -11.022 26 HG SER 6 HG SER 6 -4.185 -22.776 -9.898 27 H GLY 7 H GLY 7 -8.238 -20.882 -11.544 28 HA2 GLY 7 1HA GLY 7 -10.586 -21.001 -10.430 29 HA3 GLY 7 2HA GLY 7 -9.628 -20.959 -8.957 30 H GLU 8 H GLU 8 -7.677 -19.129 -9.611 31 HA GLU 8 HA GLU 8 -9.180 -16.692 -10.284 32 HB2 GLU 8 1HB GLU 8 -8.184 -15.492 -8.459 33 HB3 GLU 8 2HB GLU 8 -8.933 -16.946 -7.813 34 HG2 GLU 8 1HG GLU 8 -6.746 -18.035 -7.735 35 HG3 GLU 8 2HG GLU 8 -5.998 -16.570 -8.368 36 H GLY 9 H GLY 9 -8.101 -15.179 -11.471 37 HA2 GLY 9 1HA GLY 9 -5.361 -15.913 -12.295 38 HA3 GLY 9 2HA GLY 9 -6.527 -15.116 -13.340 39 H GLU 10 H GLU 10 -6.028 -13.069 -13.698 40 HA GLU 10 HA GLU 10 -4.465 -11.605 -11.709 41 HB2 GLU 10 1HB GLU 10 -4.116 -9.954 -13.503 42 HB3 GLU 10 2HB GLU 10 -3.623 -11.570 -13.991 43 HG2 GLU 10 1HG GLU 10 -5.497 -11.838 -15.382 44 HG3 GLU 10 2HG GLU 10 -6.320 -10.450 -14.673 45 H LYS 11 H LYS 11 -5.024 -9.356 -11.233 46 HA LYS 11 HA LYS 11 -7.944 -8.990 -11.127 47 HB2 LYS 11 1HB LYS 11 -5.780 -7.996 -9.267 48 HB3 LYS 11 2HB LYS 11 -7.469 -7.519 -9.155 49 HG2 LYS 11 1HG LYS 11 -7.329 -9.203 -7.592 50 HG3 LYS 11 2HG LYS 11 -7.920 -10.067 -9.013 51 HD2 LYS 11 1HD LYS 11 -5.633 -10.784 -9.522 52 HD3 LYS 11 2HD LYS 11 -5.047 -9.923 -8.097 53 HE2 LYS 11 1HE LYS 11 -5.239 -12.097 -7.326 54 HE3 LYS 11 2HE LYS 11 -6.765 -11.378 -6.817 55 HZ1 LYS 11 3HZ LYS 11 -6.873 -13.635 -7.924 56 HZ2 LYS 11 1HZ LYS 11 -6.504 -12.843 -9.373 57 HZ3 LYS 11 2HZ LYS 11 -7.916 -12.448 -8.530 58 HA PRO 12 HA PRO 12 -7.556 -5.402 -13.646 59 HB2 PRO 12 1HB PRO 12 -9.809 -4.092 -12.886 60 HB3 PRO 12 2HB PRO 12 -9.834 -5.527 -13.916 61 HG2 PRO 12 1HG PRO 12 -10.327 -5.300 -10.972 62 HG3 PRO 12 2HG PRO 12 -11.210 -6.247 -12.184 63 HD2 PRO 12 1HD PRO 12 -9.371 -7.349 -10.530 64 HD3 PRO 12 2HD PRO 12 -9.647 -7.942 -12.181 65 H TYR 13 H TYR 13 -7.716 -5.234 -10.193 66 HA TYR 13 HA TYR 13 -6.522 -2.543 -10.291 67 HB2 TYR 13 1HB TYR 13 -8.538 -3.646 -8.336 68 HB3 TYR 13 2HB TYR 13 -7.572 -2.215 -7.994 69 HD1 TYR 13 HD1 TYR 13 -9.530 -3.467 -10.932 70 HD2 TYR 13 HD2 TYR 13 -8.746 -0.256 -8.253 71 HE1 TYR 13 HE1 TYR 13 -11.176 -2.080 -12.122 72 HE2 TYR 13 HE2 TYR 13 -10.390 1.140 -9.435 73 HH TYR 13 HH TYR 13 -11.655 0.325 -12.460 74 H GLN 14 H GLN 14 -4.490 -3.728 -10.367 75 HA GLN 14 HA GLN 14 -3.585 -4.413 -7.667 76 HB2 GLN 14 1HB GLN 14 -3.982 -6.562 -8.643 77 HB3 GLN 14 2HB GLN 14 -3.182 -6.096 -10.139 78 HG2 GLN 14 1HG GLN 14 -1.054 -5.913 -8.897 79 HG3 GLN 14 2HG GLN 14 -1.883 -6.499 -7.455 80 HE21 GLN 14 1HE2 GLN 14 -0.410 -7.330 -10.427 81 HE22 GLN 14 2HE2 GLN 14 -0.616 -9.041 -10.313 82 H CYS 15 H CYS 15 -1.778 -3.373 -7.146 83 HA CYS 15 HA CYS 15 -0.538 -1.526 -8.829 84 HB2 CYS 15 1HB CYS 15 -0.433 -1.428 -6.367 85 HB3 CYS 15 2HB CYS 15 0.605 -2.850 -6.359 86 H SER 16 H SER 16 1.662 -1.494 -9.634 87 HA SER 16 HA SER 16 2.543 -4.162 -10.520 88 HB2 SER 16 1HB SER 16 1.743 -2.647 -12.329 89 HB3 SER 16 2HB SER 16 3.015 -1.506 -11.896 90 HG SER 16 HG SER 16 3.249 -4.079 -13.024 91 H GLU 17 H GLU 17 3.637 -0.982 -9.427 92 HA GLU 17 HA GLU 17 6.346 -1.207 -9.509 93 HB2 GLU 17 1HB GLU 17 4.740 -0.114 -7.192 94 HB3 GLU 17 2HB GLU 17 6.434 0.231 -7.512 95 HG2 GLU 17 1HG GLU 17 4.160 0.926 -9.356 96 HG3 GLU 17 2HG GLU 17 4.918 2.038 -8.218 97 H CYS 18 H CYS 18 4.354 -2.275 -6.747 98 HA CYS 18 HA CYS 18 6.569 -4.030 -5.932 99 HB2 CYS 18 1HB CYS 18 5.525 -4.053 -3.711 100 HB3 CYS 18 2HB CYS 18 5.861 -2.406 -4.235 101 H GLY 19 H GLY 19 3.036 -3.952 -6.317 102 HA2 GLY 19 1HA GLY 19 1.963 -5.790 -7.492 103 HA3 GLY 19 2HA GLY 19 3.133 -6.870 -6.749 104 H LYS 20 H LYS 20 0.423 -4.710 -6.016 105 HA LYS 20 HA LYS 20 -0.490 -6.619 -4.008 106 HB2 LYS 20 1HB LYS 20 0.245 -3.760 -3.455 107 HB3 LYS 20 2HB LYS 20 -0.996 -4.564 -2.502 108 HG2 LYS 20 1HG LYS 20 0.513 -6.077 -1.585 109 HG3 LYS 20 2HG LYS 20 1.713 -5.790 -2.847 110 HD2 LYS 20 1HD LYS 20 2.034 -3.501 -1.975 111 HD3 LYS 20 2HD LYS 20 0.893 -3.858 -0.677 112 HE2 LYS 20 1HE LYS 20 2.357 -5.662 0.102 113 HE3 LYS 20 2HE LYS 20 3.497 -5.294 -1.192 114 HZ1 LYS 20 3HZ LYS 20 4.189 -4.293 0.887 115 HZ2 LYS 20 1HZ LYS 20 2.723 -3.458 1.011 116 HZ3 LYS 20 2HZ LYS 20 3.803 -3.090 -0.238 117 H SER 21 H SER 21 -2.637 -6.884 -4.066 118 HA SER 21 HA SER 21 -4.174 -5.193 -5.875 119 HB2 SER 21 1HB SER 21 -4.928 -7.770 -4.474 120 HB3 SER 21 2HB SER 21 -5.911 -6.934 -5.676 121 HG SER 21 HG SER 21 -4.830 -8.343 -6.888 122 H PHE 22 H PHE 22 -5.837 -3.897 -5.282 123 HA PHE 22 HA PHE 22 -6.509 -3.784 -2.416 124 HB2 PHE 22 1HB PHE 22 -6.073 -1.477 -4.320 125 HB3 PHE 22 2HB PHE 22 -6.780 -1.307 -2.717 126 HD1 PHE 22 HD1 PHE 22 -3.781 -2.903 -4.269 127 HD2 PHE 22 HD2 PHE 22 -5.369 -0.592 -1.066 128 HE1 PHE 22 HE1 PHE 22 -1.526 -2.696 -3.304 129 HE2 PHE 22 HE2 PHE 22 -3.117 -0.381 -0.098 130 HZ PHE 22 HZ PHE 22 -1.192 -1.433 -1.217 131 H SER 23 H SER 23 -8.631 -2.935 -1.925 132 HA SER 23 HA SER 23 -10.721 -4.130 -3.151 133 HB2 SER 23 1HB SER 23 -10.521 -1.606 -1.561 134 HB3 SER 23 2HB SER 23 -12.063 -2.004 -2.319 135 HG SER 23 HG SER 23 -10.591 -3.648 -0.531 136 H GLY 24 H GLY 24 -9.781 -0.743 -3.789 137 HA2 GLY 24 1HA GLY 24 -10.560 -1.085 -6.580 138 HA3 GLY 24 2HA GLY 24 -11.459 0.109 -5.657 139 H SER 25 H SER 25 -10.721 1.781 -7.012 140 HA SER 25 HA SER 25 -7.931 2.285 -7.387 141 HB2 SER 25 1HB SER 25 -9.622 3.033 -9.019 142 HB3 SER 25 2HB SER 25 -10.300 4.124 -7.811 143 HG SER 25 HG SER 25 -7.822 4.262 -9.140 144 H TYR 26 H TYR 26 -10.449 4.094 -5.618 145 HA TYR 26 HA TYR 26 -9.064 6.028 -4.392 146 HB2 TYR 26 1HB TYR 26 -11.517 5.239 -4.030 147 HB3 TYR 26 2HB TYR 26 -10.852 4.330 -2.678 148 HD1 TYR 26 HD2 TYR 26 -9.945 5.486 -0.726 149 HD2 TYR 26 HD1 TYR 26 -11.652 7.653 -3.966 150 HE1 TYR 26 HE2 TYR 26 -10.072 7.493 0.690 151 HE2 TYR 26 HE1 TYR 26 -11.783 9.666 -2.558 152 HH TYR 26 HH TYR 26 -11.823 9.811 0.445 153 H ARG 27 H ARG 27 -9.217 2.689 -3.165 154 HA ARG 27 HA ARG 27 -7.412 3.123 -1.027 155 HB2 ARG 27 1HB ARG 27 -8.406 0.646 -2.421 156 HB3 ARG 27 2HB ARG 27 -7.223 0.562 -1.123 157 HG2 ARG 27 1HG ARG 27 -9.769 2.050 -0.689 158 HG3 ARG 27 2HG ARG 27 -9.762 0.287 -0.617 159 HD2 ARG 27 1HD ARG 27 -7.968 2.098 0.995 160 HD3 ARG 27 2HD ARG 27 -9.446 1.346 1.593 161 HE ARG 27 HE ARG 27 -8.040 -0.775 0.745 162 HH11 ARG 27 1HH1 ARG 27 -7.186 1.934 2.757 163 HH12 ARG 27 2HH1 ARG 27 -6.022 1.046 3.683 164 HH21 ARG 27 1HH2 ARG 27 -6.511 -1.955 1.957 165 HH22 ARG 27 2HH2 ARG 27 -5.638 -1.166 3.227 166 H LEU 28 H LEU 28 -6.991 1.685 -4.253 167 HA LEU 28 HA LEU 28 -4.348 0.945 -4.118 168 HB2 LEU 28 1HB LEU 28 -6.075 0.751 -6.035 169 HB3 LEU 28 2HB LEU 28 -5.426 2.303 -6.559 170 HG LEU 28 HG LEU 28 -3.137 1.096 -6.511 171 HD11 LEU 28 1HD1 LEU 28 -3.261 -0.989 -5.715 172 HD12 LEU 28 2HD1 LEU 28 -3.902 -1.402 -7.305 173 HD13 LEU 28 3HD1 LEU 28 -5.005 -1.086 -5.966 174 HD21 LEU 28 3HD2 LEU 28 -4.471 -0.125 -8.738 175 HD22 LEU 28 1HD2 LEU 28 -3.366 1.249 -8.713 176 HD23 LEU 28 2HD2 LEU 28 -5.095 1.504 -8.479 177 H THR 29 H THR 29 -5.677 4.151 -4.798 178 HA THR 29 HA THR 29 -3.289 5.458 -5.436 179 HB THR 29 HB THR 29 -5.682 6.653 -4.024 180 HG1 THR 29 HG1 THR 29 -6.596 6.082 -5.863 181 HG21 THR 29 3HG2 THR 29 -3.876 8.107 -5.915 182 HG22 THR 29 1HG2 THR 29 -3.410 7.919 -4.225 183 HG23 THR 29 2HG2 THR 29 -4.910 8.748 -4.639 184 H GLN 30 H GLN 30 -4.973 5.296 -2.295 185 HA GLN 30 HA GLN 30 -3.260 6.731 -0.730 186 HB2 GLN 30 1HB GLN 30 -4.650 4.148 0.003 187 HB3 GLN 30 2HB GLN 30 -3.958 5.281 1.156 188 HG2 GLN 30 1HG GLN 30 -5.514 7.018 0.191 189 HG3 GLN 30 2HG GLN 30 -6.311 5.696 -0.660 190 HE21 GLN 30 1HE2 GLN 30 -7.973 4.821 0.333 191 HE22 GLN 30 2HE2 GLN 30 -8.275 4.847 2.034 192 H HIS 31 H HIS 31 -2.904 3.350 -1.718 193 HA HIS 31 HA HIS 31 -0.492 2.939 -0.241 194 HB2 HIS 31 1HB HIS 31 -1.537 0.926 -0.637 195 HB3 HIS 31 2HB HIS 31 -2.061 1.393 -2.252 196 HD1 HIS 31 HD1 HIS 31 1.114 0.368 -0.444 197 HD2 HIS 31 HD2 HIS 31 -0.526 0.391 -4.261 198 HE1 HIS 31 HE1 HIS 31 2.752 -0.880 -1.887 199 H TRP 32 H TRP 32 -1.168 3.288 -3.725 200 HA TRP 32 HA TRP 32 1.291 3.166 -4.820 201 HB2 TRP 32 1HB TRP 32 -1.085 4.860 -5.416 202 HB3 TRP 32 2HB TRP 32 0.421 5.252 -6.242 203 HD1 TRP 32 HD1 TRP 32 -1.247 1.813 -5.515 204 HE1 TRP 32 HE1 TRP 32 -1.381 0.522 -7.738 205 HE3 TRP 32 HE3 TRP 32 0.729 5.352 -8.631 206 HZ2 TRP 32 HZ2 TRP 32 -0.734 0.947 -10.452 207 HZ3 TRP 32 HZ3 TRP 32 0.937 4.831 -11.026 208 HH2 TRP 32 HH2 TRP 32 0.221 2.673 -11.916 209 H ILE 33 H ILE 33 -0.024 5.969 -3.097 210 HA ILE 33 HA ILE 33 1.783 7.919 -3.490 211 HB ILE 33 HB ILE 33 0.691 7.052 -0.813 212 HG12 ILE 33 1HG1 ILE 33 -0.210 9.354 -2.537 213 HG13 ILE 33 2HG1 ILE 33 -0.879 7.737 -2.723 214 HG21 ILE 33 1HG2 ILE 33 1.208 9.329 -0.053 215 HG22 ILE 33 2HG2 ILE 33 2.661 8.429 -0.482 216 HG23 ILE 33 3HG2 ILE 33 2.020 9.645 -1.586 217 HD11 ILE 33 3HD1 ILE 33 -2.403 8.494 -1.267 218 HD12 ILE 33 1HD1 ILE 33 -1.176 8.077 -0.070 219 HD13 ILE 33 2HD1 ILE 33 -1.332 9.743 -0.631 220 H THR 34 H THR 34 2.289 5.099 -1.409 221 HA THR 34 HA THR 34 4.654 5.681 -0.187 222 HB THR 34 HB THR 34 5.183 3.296 -0.187 223 HG1 THR 34 HG1 THR 34 2.964 2.860 -1.896 224 HG21 THR 34 3HG2 THR 34 2.598 2.583 0.302 225 HG22 THR 34 1HG2 THR 34 2.511 4.338 0.444 226 HG23 THR 34 2HG2 THR 34 3.639 3.426 1.448 227 H HIS 35 H HIS 35 4.332 4.240 -3.432 228 HA HIS 35 HA HIS 35 7.104 4.283 -4.000 229 HB2 HIS 35 1HB HIS 35 4.938 4.371 -6.091 230 HB3 HIS 35 2HB HIS 35 6.524 3.612 -6.191 231 HD1 HIS 35 HD1 HIS 35 6.762 1.584 -4.236 232 HD2 HIS 35 HD2 HIS 35 2.993 2.552 -5.693 233 HE1 HIS 35 HE1 HIS 35 5.313 -0.407 -3.728 234 H THR 36 H THR 36 4.487 6.565 -4.578 235 HA THR 36 HA THR 36 5.650 8.311 -6.359 236 HB THR 36 HB THR 36 3.962 9.114 -3.981 237 HG1 THR 36 HG1 THR 36 3.258 7.439 -5.736 238 HG21 THR 36 3HG2 THR 36 4.544 11.151 -4.809 239 HG22 THR 36 1HG2 THR 36 3.242 10.791 -5.942 240 HG23 THR 36 2HG2 THR 36 4.920 10.515 -6.410 241 H ARG 37 H ARG 37 5.978 8.299 -2.819 242 HA ARG 37 HA ARG 37 8.312 10.074 -3.122 243 HB2 ARG 37 1HB ARG 37 7.837 11.016 -0.957 244 HB3 ARG 37 2HB ARG 37 6.385 11.120 -1.943 245 HG2 ARG 37 1HG ARG 37 5.441 9.200 -0.802 246 HG3 ARG 37 2HG ARG 37 6.916 9.020 0.149 247 HD2 ARG 37 1HD ARG 37 5.323 11.565 0.167 248 HD3 ARG 37 2HD ARG 37 4.925 10.217 1.232 249 HE ARG 37 HE ARG 37 7.537 10.573 1.728 250 HH11 ARG 37 1HH1 ARG 37 4.868 12.804 1.580 251 HH12 ARG 37 2HH1 ARG 37 5.546 13.895 2.743 252 HH21 ARG 37 1HH2 ARG 37 8.440 12.002 3.260 253 HH22 ARG 37 2HH2 ARG 37 7.578 13.438 3.697 254 H GLU 38 H GLU 38 10.211 9.349 -2.388 255 HA GLU 38 HA GLU 38 10.209 6.991 -0.622 256 HB2 GLU 38 1HB GLU 38 11.980 7.545 -3.004 257 HB3 GLU 38 2HB GLU 38 12.313 6.292 -1.818 258 HG2 GLU 38 1HG GLU 38 9.708 6.388 -3.289 259 HG3 GLU 38 2HG GLU 38 11.136 5.631 -3.991 260 H LYS 39 H LYS 39 11.651 6.978 1.041 261 HA LYS 39 HA LYS 39 13.727 9.012 1.181 262 HB2 LYS 39 1HB LYS 39 13.003 9.899 3.308 263 HB3 LYS 39 2HB LYS 39 11.700 10.076 2.140 264 HG2 LYS 39 1HG LYS 39 10.759 7.916 3.093 265 HG3 LYS 39 2HG LYS 39 11.912 8.129 4.412 266 HD2 LYS 39 1HD LYS 39 10.836 9.985 5.233 267 HD3 LYS 39 2HD LYS 39 10.158 10.418 3.662 268 HE2 LYS 39 1HE LYS 39 8.382 9.658 5.091 269 HE3 LYS 39 2HE LYS 39 8.649 8.457 3.829 270 HZ1 LYS 39 3HZ LYS 39 10.273 7.828 6.027 271 HZ2 LYS 39 1HZ LYS 39 8.984 6.940 5.385 272 HZ3 LYS 39 2HZ LYS 39 8.700 8.087 6.595 273 HA PRO 40 HA PRO 40 15.898 5.712 3.124 274 HB2 PRO 40 1HB PRO 40 17.847 7.143 4.359 275 HB3 PRO 40 2HB PRO 40 17.815 6.871 2.613 276 HG2 PRO 40 1HG PRO 40 16.937 9.271 4.172 277 HG3 PRO 40 2HG PRO 40 17.860 9.195 2.660 278 HD2 PRO 40 1HD PRO 40 15.207 9.732 2.722 279 HD3 PRO 40 2HD PRO 40 15.974 8.861 1.378 280 H SER 41 H SER 41 15.149 4.629 4.828 281 HA SER 41 HA SER 41 15.204 5.882 7.459 282 HB2 SER 41 1HB SER 41 12.891 6.202 6.471 283 HB3 SER 41 2HB SER 41 12.718 4.448 6.511 284 HG SER 41 HG SER 41 12.970 6.254 8.662 285 H GLY 42 H GLY 42 14.596 4.180 9.179 286 HA2 GLY 42 1HA GLY 42 14.737 2.003 10.013 287 HA3 GLY 42 2HA GLY 42 15.153 1.438 8.402 288 HA PRO 43 HA PRO 43 18.935 2.179 11.300 289 HB2 PRO 43 1HB PRO 43 19.095 -0.198 12.601 290 HB3 PRO 43 2HB PRO 43 18.225 1.197 13.251 291 HG2 PRO 43 1HG PRO 43 17.156 -1.199 11.810 292 HG3 PRO 43 2HG PRO 43 16.517 -0.381 13.247 293 HD2 PRO 43 1HD PRO 43 15.495 0.015 10.771 294 HD3 PRO 43 2HD PRO 43 15.519 1.287 12.009 295 H SER 44 H SER 44 20.898 1.612 10.519 296 HA SER 44 HA SER 44 20.965 -0.371 8.382 297 HB2 SER 44 1HB SER 44 21.926 1.947 8.093 298 HB3 SER 44 2HB SER 44 23.183 1.495 9.245 299 HG SER 44 HG SER 44 22.737 -0.230 7.107 300 H SER 45 H SER 45 20.798 -2.205 9.815 301 HA SER 45 HA SER 45 22.492 -2.838 11.904 302 HB2 SER 45 1HB SER 45 20.437 -4.118 10.959 303 HB3 SER 45 2HB SER 45 21.618 -4.944 9.943 304 HG SER 45 HG SER 45 21.008 -5.751 12.224 305 H GLY 46 H GLY 46 24.478 -3.816 12.108 306 HA2 GLY 46 1HA GLY 46 26.000 -5.106 10.229 307 HA3 GLY 46 2HA GLY 46 26.317 -3.400 9.948 Start of MODEL 6 1 H1 GLY 1 H GLY 1 12.099 -30.405 -4.822 2 HA2 GLY 1 1HA GLY 1 9.473 -30.188 -5.498 3 HA3 GLY 1 2HA GLY 1 10.110 -29.610 -3.965 4 H SER 2 H SER 2 7.922 -28.395 -5.031 5 HA SER 2 HA SER 2 8.845 -25.694 -5.302 6 HB2 SER 2 1HB SER 2 8.039 -25.196 -7.477 7 HB3 SER 2 2HB SER 2 8.969 -26.684 -7.658 8 HG SER 2 HG SER 2 7.146 -27.814 -7.932 9 H SER 3 H SER 3 6.907 -24.185 -5.641 10 HA SER 3 HA SER 3 4.586 -25.297 -4.203 11 HB2 SER 3 1HB SER 3 4.329 -23.257 -3.024 12 HB3 SER 3 2HB SER 3 6.057 -23.605 -2.969 13 HG SER 3 HG SER 3 5.899 -22.232 -5.081 14 H GLY 4 H GLY 4 2.554 -24.837 -4.939 15 HA2 GLY 4 1HA GLY 4 2.433 -23.505 -7.564 16 HA3 GLY 4 2HA GLY 4 1.293 -24.712 -6.987 17 H SER 5 H SER 5 -0.144 -22.902 -7.850 18 HA SER 5 HA SER 5 -1.377 -21.620 -5.657 19 HB2 SER 5 1HB SER 5 0.735 -20.167 -6.224 20 HB3 SER 5 2HB SER 5 -0.260 -19.590 -7.561 21 HG SER 5 HG SER 5 -1.624 -18.663 -6.174 22 H SER 6 H SER 6 -3.275 -20.367 -6.298 23 HA SER 6 HA SER 6 -4.278 -21.256 -8.916 24 HB2 SER 6 1HB SER 6 -5.796 -20.460 -6.420 25 HB3 SER 6 2HB SER 6 -6.538 -20.951 -7.943 26 HG SER 6 HG SER 6 -4.984 -22.887 -7.519 27 H GLY 7 H GLY 7 -5.679 -19.807 -10.110 28 HA2 GLY 7 1HA GLY 7 -6.512 -17.352 -9.895 29 HA3 GLY 7 2HA GLY 7 -4.787 -17.023 -9.824 30 H GLU 8 H GLU 8 -7.474 -17.710 -11.841 31 HA GLU 8 HA GLU 8 -6.199 -18.556 -14.183 32 HB2 GLU 8 1HB GLU 8 -8.785 -17.190 -13.577 33 HB3 GLU 8 2HB GLU 8 -8.254 -17.280 -15.250 34 HG2 GLU 8 1HG GLU 8 -9.711 -19.116 -14.817 35 HG3 GLU 8 2HG GLU 8 -8.073 -19.738 -15.011 36 H GLY 9 H GLY 9 -7.073 -15.267 -13.131 37 HA2 GLY 9 1HA GLY 9 -4.949 -14.250 -14.900 38 HA3 GLY 9 2HA GLY 9 -6.550 -13.527 -14.948 39 H GLU 10 H GLU 10 -4.984 -11.649 -14.469 40 HA GLU 10 HA GLU 10 -4.484 -11.434 -11.583 41 HB2 GLU 10 1HB GLU 10 -2.897 -9.745 -12.056 42 HB3 GLU 10 2HB GLU 10 -2.625 -11.001 -13.256 43 HG2 GLU 10 1HG GLU 10 -4.387 -8.666 -13.869 44 HG3 GLU 10 2HG GLU 10 -2.633 -8.534 -13.994 45 H LYS 11 H LYS 11 -5.304 -9.747 -10.372 46 HA LYS 11 HA LYS 11 -7.836 -8.756 -11.096 47 HB2 LYS 11 1HB LYS 11 -5.921 -8.221 -8.864 48 HB3 LYS 11 2HB LYS 11 -7.293 -7.143 -9.081 49 HG2 LYS 11 1HG LYS 11 -8.089 -8.688 -7.564 50 HG3 LYS 11 2HG LYS 11 -8.698 -9.309 -9.100 51 HD2 LYS 11 1HD LYS 11 -6.937 -10.938 -9.205 52 HD3 LYS 11 2HD LYS 11 -6.145 -10.240 -7.790 53 HE2 LYS 11 1HE LYS 11 -8.958 -11.246 -7.611 54 HE3 LYS 11 2HE LYS 11 -7.605 -12.372 -7.525 55 HZ1 LYS 11 3HZ LYS 11 -7.787 -11.880 -5.341 56 HZ2 LYS 11 1HZ LYS 11 -8.468 -10.354 -5.608 57 HZ3 LYS 11 2HZ LYS 11 -6.799 -10.576 -5.772 58 HA PRO 12 HA PRO 12 -6.905 -5.172 -13.470 59 HB2 PRO 12 1HB PRO 12 -9.130 -3.702 -12.963 60 HB3 PRO 12 2HB PRO 12 -9.138 -5.126 -14.010 61 HG2 PRO 12 1HG PRO 12 -9.960 -4.878 -11.142 62 HG3 PRO 12 2HG PRO 12 -10.759 -5.750 -12.464 63 HD2 PRO 12 1HD PRO 12 -9.217 -6.996 -10.619 64 HD3 PRO 12 2HD PRO 12 -9.337 -7.557 -12.299 65 H TYR 13 H TYR 13 -7.467 -5.009 -10.059 66 HA TYR 13 HA TYR 13 -6.283 -2.313 -9.974 67 HB2 TYR 13 1HB TYR 13 -8.205 -3.718 -8.135 68 HB3 TYR 13 2HB TYR 13 -7.248 -2.351 -7.575 69 HD1 TYR 13 HD1 TYR 13 -9.974 -3.413 -9.781 70 HD2 TYR 13 HD2 TYR 13 -7.685 -0.108 -8.388 71 HE1 TYR 13 HE1 TYR 13 -11.642 -1.870 -10.721 72 HE2 TYR 13 HE2 TYR 13 -9.348 1.444 -9.322 73 HH TYR 13 HH TYR 13 -11.571 0.631 -11.555 74 H GLN 14 H GLN 14 -4.412 -4.092 -10.383 75 HA GLN 14 HA GLN 14 -3.322 -4.830 -7.753 76 HB2 GLN 14 1HB GLN 14 -3.639 -6.654 -9.443 77 HB3 GLN 14 2HB GLN 14 -2.454 -5.847 -10.462 78 HG2 GLN 14 1HG GLN 14 -0.925 -6.026 -8.371 79 HG3 GLN 14 2HG GLN 14 -2.063 -7.278 -7.875 80 HE21 GLN 14 1HE2 GLN 14 -0.284 -8.745 -8.016 81 HE22 GLN 14 2HE2 GLN 14 0.196 -9.385 -9.547 82 H CYS 15 H CYS 15 -1.825 -3.519 -6.969 83 HA CYS 15 HA CYS 15 -0.695 -1.357 -8.269 84 HB2 CYS 15 1HB CYS 15 -0.730 -1.878 -5.767 85 HB3 CYS 15 2HB CYS 15 0.705 -2.854 -6.058 86 H SER 16 H SER 16 0.494 -1.399 -10.057 87 HA SER 16 HA SER 16 2.203 -3.647 -10.675 88 HB2 SER 16 1HB SER 16 2.627 -2.447 -12.792 89 HB3 SER 16 2HB SER 16 0.901 -2.597 -12.464 90 HG SER 16 HG SER 16 2.274 -0.308 -11.598 91 H GLU 17 H GLU 17 2.965 -2.228 -8.341 92 HA GLU 17 HA GLU 17 5.569 -1.157 -9.210 93 HB2 GLU 17 1HB GLU 17 3.690 -0.159 -7.092 94 HB3 GLU 17 2HB GLU 17 5.417 0.147 -6.964 95 HG2 GLU 17 1HG GLU 17 3.609 0.999 -9.213 96 HG3 GLU 17 2HG GLU 17 4.309 2.035 -7.971 97 H CYS 18 H CYS 18 3.796 -2.724 -6.563 98 HA CYS 18 HA CYS 18 6.331 -3.938 -5.681 99 HB2 CYS 18 1HB CYS 18 4.996 -4.356 -3.522 100 HB3 CYS 18 2HB CYS 18 5.510 -2.706 -3.857 101 H GLY 19 H GLY 19 2.834 -4.636 -5.851 102 HA2 GLY 19 1HA GLY 19 2.381 -6.692 -7.277 103 HA3 GLY 19 2HA GLY 19 3.528 -7.483 -6.206 104 H LYS 20 H LYS 20 0.686 -5.361 -5.811 105 HA LYS 20 HA LYS 20 -0.621 -7.426 -4.229 106 HB2 LYS 20 1HB LYS 20 -1.118 -5.768 -2.405 107 HB3 LYS 20 2HB LYS 20 0.560 -6.288 -2.494 108 HG2 LYS 20 1HG LYS 20 0.788 -4.131 -3.993 109 HG3 LYS 20 2HG LYS 20 -0.645 -3.639 -3.087 110 HD2 LYS 20 1HD LYS 20 1.958 -4.557 -1.865 111 HD3 LYS 20 2HD LYS 20 1.452 -2.875 -2.036 112 HE2 LYS 20 1HE LYS 20 0.785 -3.292 0.116 113 HE3 LYS 20 2HE LYS 20 -0.681 -3.727 -0.761 114 HZ1 LYS 20 3HZ LYS 20 -0.138 -5.404 0.870 115 HZ2 LYS 20 1HZ LYS 20 1.402 -5.613 0.200 116 HZ3 LYS 20 2HZ LYS 20 0.029 -6.049 -0.685 117 H SER 21 H SER 21 -2.859 -7.216 -4.125 118 HA SER 21 HA SER 21 -3.980 -5.140 -5.890 119 HB2 SER 21 1HB SER 21 -4.264 -7.378 -6.813 120 HB3 SER 21 2HB SER 21 -5.002 -7.932 -5.310 121 HG SER 21 HG SER 21 -6.657 -6.324 -5.709 122 H PHE 22 H PHE 22 -6.027 -4.240 -5.344 123 HA PHE 22 HA PHE 22 -6.858 -4.610 -2.550 124 HB2 PHE 22 1HB PHE 22 -6.666 -1.900 -3.870 125 HB3 PHE 22 2HB PHE 22 -7.022 -2.247 -2.181 126 HD1 PHE 22 HD2 PHE 22 -5.072 -3.887 -1.139 127 HD2 PHE 22 HD1 PHE 22 -4.603 -0.993 -4.224 128 HE1 PHE 22 HE2 PHE 22 -2.678 -3.704 -0.598 129 HE2 PHE 22 HE1 PHE 22 -2.208 -0.806 -3.689 130 HZ PHE 22 HZ PHE 22 -1.244 -2.161 -1.873 131 H SER 23 H SER 23 -9.017 -3.424 -2.170 132 HA SER 23 HA SER 23 -10.776 -4.080 -4.432 133 HB2 SER 23 1HB SER 23 -11.183 -4.073 -1.452 134 HB3 SER 23 2HB SER 23 -12.562 -4.000 -2.548 135 HG SER 23 HG SER 23 -10.578 -6.025 -2.419 136 H GLY 24 H GLY 24 -10.183 -1.964 -5.365 137 HA2 GLY 24 1HA GLY 24 -11.964 -0.107 -5.646 138 HA3 GLY 24 2HA GLY 24 -11.462 0.314 -4.015 139 H SER 25 H SER 25 -11.303 2.069 -6.205 140 HA SER 25 HA SER 25 -8.606 2.108 -7.200 141 HB2 SER 25 1HB SER 25 -9.248 4.241 -8.237 142 HB3 SER 25 2HB SER 25 -10.466 3.003 -8.541 143 HG SER 25 HG SER 25 -11.799 4.405 -7.730 144 H TYR 26 H TYR 26 -10.474 4.215 -5.014 145 HA TYR 26 HA TYR 26 -8.587 6.025 -4.272 146 HB2 TYR 26 1HB TYR 26 -10.943 5.953 -3.450 147 HB3 TYR 26 2HB TYR 26 -10.477 4.673 -2.335 148 HD1 TYR 26 HD1 TYR 26 -9.389 8.123 -3.288 149 HD2 TYR 26 HD2 TYR 26 -9.963 5.284 -0.173 150 HE1 TYR 26 HE1 TYR 26 -8.727 9.817 -1.632 151 HE2 TYR 26 HE2 TYR 26 -9.304 6.969 1.493 152 HH TYR 26 HH TYR 26 -8.101 10.133 0.529 153 H ARG 27 H ARG 27 -9.013 2.787 -2.870 154 HA ARG 27 HA ARG 27 -7.007 2.917 -0.944 155 HB2 ARG 27 1HB ARG 27 -8.751 1.103 -1.248 156 HB3 ARG 27 2HB ARG 27 -7.721 0.440 -2.510 157 HG2 ARG 27 1HG ARG 27 -7.271 -0.780 -0.536 158 HG3 ARG 27 2HG ARG 27 -5.891 0.288 -0.802 159 HD2 ARG 27 1HD ARG 27 -6.458 0.351 1.525 160 HD3 ARG 27 2HD ARG 27 -6.907 1.895 0.802 161 HE ARG 27 HE ARG 27 -9.121 0.157 0.759 162 HH11 ARG 27 1HH1 ARG 27 -7.182 2.010 2.979 163 HH12 ARG 27 2HH1 ARG 27 -8.466 2.230 4.121 164 HH21 ARG 27 1HH2 ARG 27 -10.819 0.439 2.255 165 HH22 ARG 27 2HH2 ARG 27 -10.534 1.335 3.709 166 H LEU 28 H LEU 28 -6.813 1.686 -4.280 167 HA LEU 28 HA LEU 28 -4.130 0.976 -4.294 168 HB2 LEU 28 1HB LEU 28 -5.835 0.518 -6.073 169 HB3 LEU 28 2HB LEU 28 -5.626 2.182 -6.614 170 HG LEU 28 HG LEU 28 -3.126 1.513 -6.863 171 HD11 LEU 28 1HD1 LEU 28 -2.795 -0.574 -6.069 172 HD12 LEU 28 2HD1 LEU 28 -3.308 -1.029 -7.694 173 HD13 LEU 28 3HD1 LEU 28 -4.462 -1.071 -6.361 174 HD21 LEU 28 3HD2 LEU 28 -4.673 0.116 -8.932 175 HD22 LEU 28 1HD2 LEU 28 -3.528 1.451 -9.072 176 HD23 LEU 28 2HD2 LEU 28 -5.197 1.768 -8.597 177 H THR 29 H THR 29 -5.491 4.008 -5.598 178 HA THR 29 HA THR 29 -3.178 5.354 -6.153 179 HB THR 29 HB THR 29 -4.406 7.463 -5.747 180 HG1 THR 29 HG1 THR 29 -6.402 5.718 -4.692 181 HG21 THR 29 3HG2 THR 29 -4.892 6.696 -7.860 182 HG22 THR 29 1HG2 THR 29 -6.507 6.732 -7.154 183 HG23 THR 29 2HG2 THR 29 -5.629 5.207 -7.269 184 H GLN 30 H GLN 30 -4.940 5.535 -3.054 185 HA GLN 30 HA GLN 30 -3.276 7.160 -1.630 186 HB2 GLN 30 1HB GLN 30 -4.775 4.708 -0.713 187 HB3 GLN 30 2HB GLN 30 -3.967 5.807 0.397 188 HG2 GLN 30 1HG GLN 30 -6.037 6.748 -1.559 189 HG3 GLN 30 2HG GLN 30 -6.457 6.132 0.038 190 HE21 GLN 30 1HE2 GLN 30 -5.856 8.856 -1.679 191 HE22 GLN 30 2HE2 GLN 30 -5.404 9.920 -0.395 192 H HIS 31 H HIS 31 -2.973 3.617 -1.865 193 HA HIS 31 HA HIS 31 -0.595 3.413 -0.386 194 HB2 HIS 31 1HB HIS 31 -1.711 1.388 -0.664 195 HB3 HIS 31 2HB HIS 31 -1.969 1.651 -2.386 196 HD1 HIS 31 HD1 HIS 31 0.778 0.717 0.040 197 HD2 HIS 31 HD2 HIS 31 -0.076 0.538 -4.022 198 HE1 HIS 31 HE1 HIS 31 2.614 -0.671 -0.973 199 H TRP 32 H TRP 32 -1.056 3.346 -3.923 200 HA TRP 32 HA TRP 32 1.464 3.153 -4.846 201 HB2 TRP 32 1HB TRP 32 -0.841 4.824 -5.775 202 HB3 TRP 32 2HB TRP 32 0.712 4.968 -6.594 203 HD1 TRP 32 HD1 TRP 32 -1.210 1.813 -5.376 204 HE1 TRP 32 HE1 TRP 32 -1.387 0.187 -7.363 205 HE3 TRP 32 HE3 TRP 32 1.066 4.661 -8.960 206 HZ2 TRP 32 HZ2 TRP 32 -0.658 0.121 -10.090 207 HZ3 TRP 32 HZ3 TRP 32 1.286 3.743 -11.232 208 HH2 TRP 32 HH2 TRP 32 0.442 1.519 -11.783 209 H ILE 33 H ILE 33 0.181 5.811 -3.034 210 HA ILE 33 HA ILE 33 1.895 7.879 -3.676 211 HB ILE 33 HB ILE 33 0.837 7.176 -0.936 212 HG12 ILE 33 1HG1 ILE 33 -0.869 7.481 -2.753 213 HG13 ILE 33 2HG1 ILE 33 -1.002 8.641 -1.435 214 HG21 ILE 33 1HG2 ILE 33 2.089 9.687 -2.021 215 HG22 ILE 33 2HG2 ILE 33 1.103 9.659 -0.560 216 HG23 ILE 33 3HG2 ILE 33 2.598 8.727 -0.632 217 HD11 ILE 33 3HD1 ILE 33 0.185 10.296 -2.812 218 HD12 ILE 33 1HD1 ILE 33 0.222 9.134 -4.138 219 HD13 ILE 33 2HD1 ILE 33 -1.322 9.748 -3.545 220 H THR 34 H THR 34 2.395 5.268 -1.322 221 HA THR 34 HA THR 34 4.820 6.060 -0.257 222 HB THR 34 HB THR 34 3.465 4.097 0.509 223 HG1 THR 34 HG1 THR 34 5.494 2.759 0.805 224 HG21 THR 34 3HG2 THR 34 3.338 3.178 -1.905 225 HG22 THR 34 1HG2 THR 34 3.519 2.034 -0.576 226 HG23 THR 34 2HG2 THR 34 4.918 2.476 -1.555 227 H HIS 35 H HIS 35 4.130 4.614 -3.360 228 HA HIS 35 HA HIS 35 6.846 3.947 -3.976 229 HB2 HIS 35 1HB HIS 35 4.391 4.217 -5.720 230 HB3 HIS 35 2HB HIS 35 5.956 3.661 -6.306 231 HD1 HIS 35 HD1 HIS 35 6.737 1.727 -4.073 232 HD2 HIS 35 HD2 HIS 35 2.931 1.928 -5.727 233 HE1 HIS 35 HE1 HIS 35 5.690 -0.516 -3.628 234 H THR 36 H THR 36 4.733 6.693 -4.571 235 HA THR 36 HA THR 36 6.787 8.034 -6.151 236 HB THR 36 HB THR 36 4.224 8.076 -6.630 237 HG1 THR 36 HG1 THR 36 5.940 10.345 -6.688 238 HG21 THR 36 3HG2 THR 36 4.029 9.072 -4.145 239 HG22 THR 36 1HG2 THR 36 2.877 9.451 -5.424 240 HG23 THR 36 2HG2 THR 36 4.181 10.578 -5.050 241 H ARG 37 H ARG 37 6.620 7.511 -3.057 242 HA ARG 37 HA ARG 37 7.266 10.277 -2.271 243 HB2 ARG 37 1HB ARG 37 5.913 8.047 -0.805 244 HB3 ARG 37 2HB ARG 37 6.834 9.237 0.105 245 HG2 ARG 37 1HG ARG 37 5.388 10.923 -1.328 246 HG3 ARG 37 2HG ARG 37 4.294 9.540 -1.394 247 HD2 ARG 37 1HD ARG 37 3.565 10.614 0.509 248 HD3 ARG 37 2HD ARG 37 4.705 9.448 1.178 249 HE ARG 37 HE ARG 37 5.880 12.001 0.573 250 HH11 ARG 37 1HH1 ARG 37 4.161 10.128 2.952 251 HH12 ARG 37 2HH1 ARG 37 4.720 11.074 4.291 252 HH21 ARG 37 1HH2 ARG 37 6.623 13.254 2.328 253 HH22 ARG 37 2HH2 ARG 37 6.120 12.852 3.935 254 H GLU 38 H GLU 38 9.389 10.563 -2.146 255 HA GLU 38 HA GLU 38 11.432 8.846 -2.277 256 HB2 GLU 38 1HB GLU 38 11.383 11.442 -1.864 257 HB3 GLU 38 2HB GLU 38 11.666 10.979 -0.192 258 HG2 GLU 38 1HG GLU 38 13.764 11.458 -1.228 259 HG3 GLU 38 2HG GLU 38 13.667 9.725 -0.921 260 H LYS 39 H LYS 39 12.725 7.609 -0.904 261 HA LYS 39 HA LYS 39 11.875 7.223 1.854 262 HB2 LYS 39 1HB LYS 39 11.434 4.913 1.686 263 HB3 LYS 39 2HB LYS 39 10.562 5.642 0.344 264 HG2 LYS 39 1HG LYS 39 12.377 4.999 -1.173 265 HG3 LYS 39 2HG LYS 39 13.223 4.241 0.178 266 HD2 LYS 39 1HD LYS 39 11.124 2.840 0.502 267 HD3 LYS 39 2HD LYS 39 10.611 3.435 -1.079 268 HE2 LYS 39 1HE LYS 39 12.745 2.563 -2.022 269 HE3 LYS 39 2HE LYS 39 13.101 1.853 -0.448 270 HZ1 LYS 39 3HZ LYS 39 10.496 1.137 -1.343 271 HZ2 LYS 39 1HZ LYS 39 11.786 0.140 -0.889 272 HZ3 LYS 39 2HZ LYS 39 11.667 0.696 -2.482 273 HA PRO 40 HA PRO 40 16.203 6.761 2.476 274 HB2 PRO 40 1HB PRO 40 16.186 5.390 4.819 275 HB3 PRO 40 2HB PRO 40 15.775 7.105 4.707 276 HG2 PRO 40 1HG PRO 40 13.962 4.728 4.860 277 HG3 PRO 40 2HG PRO 40 13.836 6.287 5.697 278 HD2 PRO 40 1HD PRO 40 12.379 5.695 3.493 279 HD3 PRO 40 2HD PRO 40 12.929 7.342 3.859 280 H SER 41 H SER 41 17.821 5.334 2.036 281 HA SER 41 HA SER 41 17.206 2.896 0.776 282 HB2 SER 41 1HB SER 41 19.626 2.538 0.685 283 HB3 SER 41 2HB SER 41 19.239 4.210 0.281 284 HG SER 41 HG SER 41 19.767 3.614 2.953 285 H GLY 42 H GLY 42 17.029 0.858 1.497 286 HA2 GLY 42 1HA GLY 42 18.216 -0.003 3.974 287 HA3 GLY 42 2HA GLY 42 16.471 0.175 4.075 288 HA PRO 43 HA PRO 43 15.874 -3.825 2.399 289 HB2 PRO 43 1HB PRO 43 13.697 -3.492 0.812 290 HB3 PRO 43 2HB PRO 43 13.612 -3.467 2.577 291 HG2 PRO 43 1HG PRO 43 13.689 -1.175 0.653 292 HG3 PRO 43 2HG PRO 43 12.684 -1.390 2.098 293 HD2 PRO 43 1HD PRO 43 14.913 0.147 2.089 294 HD3 PRO 43 2HD PRO 43 14.377 -0.749 3.525 295 H SER 44 H SER 44 17.046 -4.857 0.919 296 HA SER 44 HA SER 44 18.345 -3.774 -1.227 297 HB2 SER 44 1HB SER 44 18.691 -6.074 -0.243 298 HB3 SER 44 2HB SER 44 17.305 -6.613 -1.191 299 HG SER 44 HG SER 44 19.584 -6.786 -2.086 300 H SER 45 H SER 45 15.253 -5.539 -1.356 301 HA SER 45 HA SER 45 14.813 -5.155 -4.110 302 HB2 SER 45 1HB SER 45 12.477 -5.787 -3.624 303 HB3 SER 45 2HB SER 45 13.619 -6.865 -2.821 304 HG SER 45 HG SER 45 12.541 -4.608 -1.509 305 H GLY 46 H GLY 46 13.536 -3.682 -5.237 306 HA2 GLY 46 1HA GLY 46 12.548 -1.349 -3.753 307 HA3 GLY 46 2HA GLY 46 13.711 -1.091 -5.045 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -17.057 -25.191 -34.979 2 HA2 GLY 1 1HA GLY 1 -15.018 -25.093 -33.891 3 HA3 GLY 1 2HA GLY 1 -14.377 -24.187 -35.254 4 H SER 2 H SER 2 -15.117 -24.019 -32.042 5 HA SER 2 HA SER 2 -15.014 -21.093 -32.108 6 HB2 SER 2 1HB SER 2 -16.783 -20.841 -30.505 7 HB3 SER 2 2HB SER 2 -17.402 -21.854 -31.809 8 HG SER 2 HG SER 2 -16.658 -23.656 -30.362 9 H SER 3 H SER 3 -13.856 -20.169 -30.466 10 HA SER 3 HA SER 3 -12.535 -22.042 -28.616 11 HB2 SER 3 1HB SER 3 -10.656 -20.448 -28.567 12 HB3 SER 3 2HB SER 3 -10.989 -20.995 -30.210 13 HG SER 3 HG SER 3 -11.688 -18.518 -29.025 14 H GLY 4 H GLY 4 -11.593 -20.708 -26.648 15 HA2 GLY 4 1HA GLY 4 -13.264 -18.559 -25.716 16 HA3 GLY 4 2HA GLY 4 -13.614 -20.090 -24.927 17 H SER 5 H SER 5 -12.637 -17.722 -23.660 18 HA SER 5 HA SER 5 -10.198 -18.836 -22.492 19 HB2 SER 5 1HB SER 5 -10.460 -16.011 -23.542 20 HB3 SER 5 2HB SER 5 -9.176 -16.535 -22.453 21 HG SER 5 HG SER 5 -9.713 -17.741 -24.963 22 H SER 6 H SER 6 -9.683 -17.903 -20.385 23 HA SER 6 HA SER 6 -11.538 -16.201 -19.048 24 HB2 SER 6 1HB SER 6 -11.792 -19.166 -18.744 25 HB3 SER 6 2HB SER 6 -12.061 -18.143 -17.332 26 HG SER 6 HG SER 6 -13.324 -17.405 -19.701 27 H GLY 7 H GLY 7 -10.603 -15.296 -17.298 28 HA2 GLY 7 1HA GLY 7 -8.340 -16.670 -16.031 29 HA3 GLY 7 2HA GLY 7 -8.070 -15.072 -16.711 30 H GLU 8 H GLU 8 -10.621 -16.570 -14.715 31 HA GLU 8 HA GLU 8 -10.893 -14.152 -13.170 32 HB2 GLU 8 1HB GLU 8 -12.186 -16.867 -12.854 33 HB3 GLU 8 2HB GLU 8 -12.611 -15.437 -11.923 34 HG2 GLU 8 1HG GLU 8 -13.221 -14.305 -14.045 35 HG3 GLU 8 2HG GLU 8 -12.929 -15.825 -14.889 36 H GLY 9 H GLY 9 -8.842 -13.938 -12.195 37 HA2 GLY 9 1HA GLY 9 -8.589 -15.469 -9.737 38 HA3 GLY 9 2HA GLY 9 -7.256 -15.637 -10.871 39 H GLU 10 H GLU 10 -7.070 -13.057 -11.855 40 HA GLU 10 HA GLU 10 -6.176 -11.616 -9.451 41 HB2 GLU 10 1HB GLU 10 -5.225 -11.352 -12.309 42 HB3 GLU 10 2HB GLU 10 -4.597 -10.451 -10.936 43 HG2 GLU 10 1HG GLU 10 -4.521 -13.449 -11.098 44 HG3 GLU 10 2HG GLU 10 -3.225 -12.415 -11.697 45 H LYS 11 H LYS 11 -6.897 -9.606 -9.019 46 HA LYS 11 HA LYS 11 -9.198 -8.646 -10.420 47 HB2 LYS 11 1HB LYS 11 -7.570 -7.564 -8.126 48 HB3 LYS 11 2HB LYS 11 -8.930 -6.681 -8.806 49 HG2 LYS 11 1HG LYS 11 -10.323 -8.745 -8.346 50 HG3 LYS 11 2HG LYS 11 -8.956 -9.330 -7.394 51 HD2 LYS 11 1HD LYS 11 -9.095 -7.425 -5.929 52 HD3 LYS 11 2HD LYS 11 -10.340 -6.688 -6.941 53 HE2 LYS 11 1HE LYS 11 -11.636 -7.619 -5.295 54 HE3 LYS 11 2HE LYS 11 -11.606 -8.939 -6.463 55 HZ1 LYS 11 3HZ LYS 11 -10.817 -10.207 -4.844 56 HZ2 LYS 11 1HZ LYS 11 -10.636 -8.888 -3.799 57 HZ3 LYS 11 2HZ LYS 11 -9.389 -9.299 -4.866 58 HA PRO 12 HA PRO 12 -7.395 -5.874 -13.307 59 HB2 PRO 12 1HB PRO 12 -9.234 -3.877 -13.344 60 HB3 PRO 12 2HB PRO 12 -9.525 -5.464 -14.065 61 HG2 PRO 12 1HG PRO 12 -10.406 -4.399 -11.410 62 HG3 PRO 12 2HG PRO 12 -11.322 -5.351 -12.593 63 HD2 PRO 12 1HD PRO 12 -10.209 -6.452 -10.384 64 HD3 PRO 12 2HD PRO 12 -10.375 -7.340 -11.912 65 H TYR 13 H TYR 13 -7.488 -5.216 -10.067 66 HA TYR 13 HA TYR 13 -6.138 -2.620 -10.417 67 HB2 TYR 13 1HB TYR 13 -7.721 -3.653 -8.058 68 HB3 TYR 13 2HB TYR 13 -6.792 -2.158 -8.050 69 HD1 TYR 13 HD1 TYR 13 -9.777 -3.837 -9.374 70 HD2 TYR 13 HD2 TYR 13 -7.582 -0.196 -9.213 71 HE1 TYR 13 HE1 TYR 13 -11.719 -2.634 -10.284 72 HE2 TYR 13 HE2 TYR 13 -9.519 1.018 -10.122 73 HH TYR 13 HH TYR 13 -11.994 0.719 -10.231 74 H GLN 14 H GLN 14 -4.159 -3.789 -10.812 75 HA GLN 14 HA GLN 14 -2.982 -4.919 -8.358 76 HB2 GLN 14 1HB GLN 14 -3.187 -6.583 -10.143 77 HB3 GLN 14 2HB GLN 14 -2.295 -5.535 -11.237 78 HG2 GLN 14 1HG GLN 14 -0.402 -5.670 -9.523 79 HG3 GLN 14 2HG GLN 14 -1.294 -7.030 -8.844 80 HE21 GLN 14 1HE2 GLN 14 1.283 -7.231 -9.903 81 HE22 GLN 14 2HE2 GLN 14 1.221 -8.229 -11.311 82 H CYS 15 H CYS 15 -1.712 -3.456 -7.431 83 HA CYS 15 HA CYS 15 -0.680 -1.157 -8.541 84 HB2 CYS 15 1HB CYS 15 -0.749 -1.693 -6.106 85 HB3 CYS 15 2HB CYS 15 0.619 -2.776 -6.341 86 H SER 16 H SER 16 0.497 -1.065 -10.345 87 HA SER 16 HA SER 16 2.452 -3.109 -10.966 88 HB2 SER 16 1HB SER 16 0.948 -2.070 -12.699 89 HB3 SER 16 2HB SER 16 1.860 -0.573 -12.505 90 HG SER 16 HG SER 16 2.764 -1.693 -14.195 91 H GLU 17 H GLU 17 3.172 -1.852 -8.646 92 HA GLU 17 HA GLU 17 5.596 -0.421 -9.485 93 HB2 GLU 17 1HB GLU 17 3.519 0.463 -7.545 94 HB3 GLU 17 2HB GLU 17 5.198 0.795 -7.146 95 HG2 GLU 17 1HG GLU 17 5.378 1.834 -9.458 96 HG3 GLU 17 2HG GLU 17 3.618 1.765 -9.501 97 H CYS 18 H CYS 18 3.948 -2.417 -7.118 98 HA CYS 18 HA CYS 18 6.569 -3.385 -6.203 99 HB2 CYS 18 1HB CYS 18 5.735 -3.539 -3.910 100 HB3 CYS 18 2HB CYS 18 5.653 -1.878 -4.487 101 H GLY 19 H GLY 19 3.075 -4.027 -6.316 102 HA2 GLY 19 1HA GLY 19 2.514 -6.158 -7.504 103 HA3 GLY 19 2HA GLY 19 3.717 -6.908 -6.466 104 H LYS 20 H LYS 20 0.938 -4.722 -5.988 105 HA LYS 20 HA LYS 20 -0.161 -6.663 -4.080 106 HB2 LYS 20 1HB LYS 20 0.256 -3.713 -3.594 107 HB3 LYS 20 2HB LYS 20 -0.814 -4.709 -2.615 108 HG2 LYS 20 1HG LYS 20 1.252 -6.197 -2.252 109 HG3 LYS 20 2HG LYS 20 2.168 -4.806 -2.838 110 HD2 LYS 20 1HD LYS 20 2.173 -4.348 -0.600 111 HD3 LYS 20 2HD LYS 20 0.674 -3.535 -1.059 112 HE2 LYS 20 1HE LYS 20 -0.655 -5.195 -0.143 113 HE3 LYS 20 2HE LYS 20 0.623 -6.406 -0.226 114 HZ1 LYS 20 3HZ LYS 20 0.728 -4.061 1.586 115 HZ2 LYS 20 1HZ LYS 20 1.725 -5.428 1.606 116 HZ3 LYS 20 2HZ LYS 20 0.099 -5.561 2.050 117 H SER 21 H SER 21 -2.284 -7.009 -4.315 118 HA SER 21 HA SER 21 -3.713 -5.414 -6.300 119 HB2 SER 21 1HB SER 21 -3.865 -7.763 -6.695 120 HB3 SER 21 2HB SER 21 -4.287 -8.087 -5.013 121 HG SER 21 HG SER 21 -6.278 -7.875 -5.610 122 H PHE 22 H PHE 22 -5.645 -4.367 -5.906 123 HA PHE 22 HA PHE 22 -6.618 -4.296 -3.142 124 HB2 PHE 22 1HB PHE 22 -5.878 -1.881 -4.803 125 HB3 PHE 22 2HB PHE 22 -6.835 -1.799 -3.327 126 HD1 PHE 22 HD1 PHE 22 -3.530 -2.786 -4.672 127 HD2 PHE 22 HD2 PHE 22 -5.806 -1.757 -1.226 128 HE1 PHE 22 HE1 PHE 22 -1.462 -2.669 -3.345 129 HE2 PHE 22 HE2 PHE 22 -3.742 -1.637 0.106 130 HZ PHE 22 HZ PHE 22 -1.565 -2.093 -0.953 131 H SER 23 H SER 23 -8.771 -4.371 -3.004 132 HA SER 23 HA SER 23 -10.331 -4.554 -5.407 133 HB2 SER 23 1HB SER 23 -12.227 -4.963 -3.834 134 HB3 SER 23 2HB SER 23 -10.853 -6.035 -3.561 135 HG SER 23 HG SER 23 -11.832 -3.947 -1.988 136 H GLY 24 H GLY 24 -9.350 -2.101 -5.561 137 HA2 GLY 24 1HA GLY 24 -11.579 -0.443 -5.817 138 HA3 GLY 24 2HA GLY 24 -10.824 -0.056 -4.278 139 H SER 25 H SER 25 -11.087 1.712 -6.498 140 HA SER 25 HA SER 25 -8.489 1.874 -7.763 141 HB2 SER 25 1HB SER 25 -9.405 3.869 -8.881 142 HB3 SER 25 2HB SER 25 -10.501 2.495 -9.029 143 HG SER 25 HG SER 25 -11.846 3.398 -7.554 144 H TYR 26 H TYR 26 -10.357 3.744 -5.397 145 HA TYR 26 HA TYR 26 -8.489 5.789 -4.983 146 HB2 TYR 26 1HB TYR 26 -10.949 5.552 -4.162 147 HB3 TYR 26 2HB TYR 26 -10.231 4.759 -2.764 148 HD1 TYR 26 HD1 TYR 26 -9.993 7.899 -4.764 149 HD2 TYR 26 HD2 TYR 26 -9.514 6.042 -0.965 150 HE1 TYR 26 HE1 TYR 26 -9.553 10.097 -3.751 151 HE2 TYR 26 HE2 TYR 26 -9.074 8.235 0.058 152 HH TYR 26 HH TYR 26 -8.097 10.703 -1.233 153 H ARG 27 H ARG 27 -9.077 2.896 -2.978 154 HA ARG 27 HA ARG 27 -7.095 3.155 -1.128 155 HB2 ARG 27 1HB ARG 27 -8.830 1.261 -1.473 156 HB3 ARG 27 2HB ARG 27 -7.573 0.490 -2.431 157 HG2 ARG 27 1HG ARG 27 -7.425 -0.414 -0.255 158 HG3 ARG 27 2HG ARG 27 -6.067 0.700 -0.430 159 HD2 ARG 27 1HD ARG 27 -7.005 2.271 0.985 160 HD3 ARG 27 2HD ARG 27 -8.643 1.665 0.736 161 HE ARG 27 HE ARG 27 -6.701 0.709 2.647 162 HH11 ARG 27 1HH1 ARG 27 -9.627 0.014 0.894 163 HH12 ARG 27 2HH1 ARG 27 -10.178 -1.176 2.026 164 HH21 ARG 27 1HH2 ARG 27 -7.415 -0.856 4.145 165 HH22 ARG 27 2HH2 ARG 27 -8.919 -1.669 3.876 166 H LEU 28 H LEU 28 -6.753 1.855 -4.408 167 HA LEU 28 HA LEU 28 -4.097 1.042 -4.276 168 HB2 LEU 28 1HB LEU 28 -5.761 0.674 -6.143 169 HB3 LEU 28 2HB LEU 28 -5.377 2.305 -6.687 170 HG LEU 28 HG LEU 28 -2.909 1.330 -6.664 171 HD11 LEU 28 1HD1 LEU 28 -4.456 -0.961 -6.118 172 HD12 LEU 28 2HD1 LEU 28 -2.729 -0.868 -6.458 173 HD13 LEU 28 3HD1 LEU 28 -3.874 -1.115 -7.776 174 HD21 LEU 28 3HD2 LEU 28 -3.749 2.267 -8.634 175 HD22 LEU 28 1HD2 LEU 28 -5.039 1.071 -8.762 176 HD23 LEU 28 2HD2 LEU 28 -3.368 0.602 -9.077 177 H THR 29 H THR 29 -5.389 4.179 -5.362 178 HA THR 29 HA THR 29 -2.941 5.425 -5.855 179 HB THR 29 HB THR 29 -5.503 6.722 -4.905 180 HG1 THR 29 HG1 THR 29 -5.437 7.137 -7.368 181 HG21 THR 29 3HG2 THR 29 -3.357 8.083 -4.781 182 HG22 THR 29 1HG2 THR 29 -4.666 8.769 -5.742 183 HG23 THR 29 2HG2 THR 29 -3.308 7.977 -6.540 184 H GLN 30 H GLN 30 -4.798 5.110 -2.874 185 HA GLN 30 HA GLN 30 -3.315 6.900 -1.299 186 HB2 GLN 30 1HB GLN 30 -5.158 4.627 -0.766 187 HB3 GLN 30 2HB GLN 30 -4.140 5.170 0.560 188 HG2 GLN 30 1HG GLN 30 -5.823 7.083 -1.015 189 HG3 GLN 30 2HG GLN 30 -6.472 6.177 0.352 190 HE21 GLN 30 1HE2 GLN 30 -6.648 8.734 0.685 191 HE22 GLN 30 2HE2 GLN 30 -5.429 9.366 1.734 192 H HIS 31 H HIS 31 -2.891 3.455 -1.965 193 HA HIS 31 HA HIS 31 -0.669 3.162 -0.182 194 HB2 HIS 31 1HB HIS 31 -1.706 1.129 -0.506 195 HB3 HIS 31 2HB HIS 31 -2.028 1.444 -2.209 196 HD1 HIS 31 HD1 HIS 31 0.989 0.734 0.001 197 HD2 HIS 31 HD2 HIS 31 -0.382 0.084 -3.866 198 HE1 HIS 31 HE1 HIS 31 2.739 -0.698 -1.101 199 H TRP 32 H TRP 32 -1.040 3.539 -3.685 200 HA TRP 32 HA TRP 32 1.490 3.163 -4.599 201 HB2 TRP 32 1HB TRP 32 -0.692 5.035 -5.383 202 HB3 TRP 32 2HB TRP 32 0.896 5.281 -6.104 203 HD1 TRP 32 HD1 TRP 32 -1.036 1.974 -5.437 204 HE1 TRP 32 HE1 TRP 32 -1.155 0.673 -7.654 205 HE3 TRP 32 HE3 TRP 32 1.273 5.362 -8.491 206 HZ2 TRP 32 HZ2 TRP 32 -0.373 1.034 -10.342 207 HZ3 TRP 32 HZ3 TRP 32 1.548 4.807 -10.872 208 HH2 TRP 32 HH2 TRP 32 0.742 2.688 -11.777 209 H ILE 33 H ILE 33 0.266 6.051 -2.961 210 HA ILE 33 HA ILE 33 2.330 7.811 -3.254 211 HB ILE 33 HB ILE 33 0.834 7.280 -0.684 212 HG12 ILE 33 1HG1 ILE 33 0.233 9.380 -2.763 213 HG13 ILE 33 2HG1 ILE 33 -0.504 7.782 -2.805 214 HG21 ILE 33 1HG2 ILE 33 1.927 9.945 -1.435 215 HG22 ILE 33 2HG2 ILE 33 1.614 9.262 0.160 216 HG23 ILE 33 3HG2 ILE 33 3.020 8.735 -0.764 217 HD11 ILE 33 3HD1 ILE 33 -1.807 8.187 -0.979 218 HD12 ILE 33 1HD1 ILE 33 -0.682 9.359 -0.295 219 HD13 ILE 33 2HD1 ILE 33 -1.703 9.810 -1.661 220 H THR 34 H THR 34 2.209 5.009 -1.121 221 HA THR 34 HA THR 34 4.402 5.432 0.484 222 HB THR 34 HB THR 34 4.628 3.010 0.677 223 HG1 THR 34 HG1 THR 34 4.338 2.521 -1.572 224 HG21 THR 34 3HG2 THR 34 1.791 2.851 0.562 225 HG22 THR 34 1HG2 THR 34 2.228 4.479 1.081 226 HG23 THR 34 2HG2 THR 34 2.821 3.079 1.975 227 H HIS 35 H HIS 35 4.324 4.284 -2.852 228 HA HIS 35 HA HIS 35 7.110 3.701 -3.002 229 HB2 HIS 35 1HB HIS 35 5.237 4.312 -5.294 230 HB3 HIS 35 2HB HIS 35 6.752 3.416 -5.368 231 HD1 HIS 35 HD1 HIS 35 6.467 1.345 -3.246 232 HD2 HIS 35 HD2 HIS 35 3.287 2.486 -5.665 233 HE1 HIS 35 HE1 HIS 35 4.852 -0.582 -3.188 234 H THR 36 H THR 36 5.122 6.502 -3.798 235 HA THR 36 HA THR 36 7.123 8.005 -5.100 236 HB THR 36 HB THR 36 4.793 9.127 -3.537 237 HG1 THR 36 HG1 THR 36 3.936 9.058 -5.870 238 HG21 THR 36 3HG2 THR 36 6.350 10.178 -5.903 239 HG22 THR 36 1HG2 THR 36 6.419 10.795 -4.253 240 HG23 THR 36 2HG2 THR 36 4.933 10.948 -5.190 241 H ARG 37 H ARG 37 6.019 7.964 -1.723 242 HA ARG 37 HA ARG 37 7.867 9.958 -0.862 243 HB2 ARG 37 1HB ARG 37 6.088 7.994 0.554 244 HB3 ARG 37 2HB ARG 37 7.249 8.964 1.450 245 HG2 ARG 37 1HG ARG 37 5.409 10.351 -0.425 246 HG3 ARG 37 2HG ARG 37 4.763 9.752 1.104 247 HD2 ARG 37 1HD ARG 37 6.334 11.050 2.354 248 HD3 ARG 37 2HD ARG 37 7.210 11.496 0.890 249 HE ARG 37 HE ARG 37 4.783 12.682 1.895 250 HH11 ARG 37 1HH1 ARG 37 6.808 12.176 -0.891 251 HH12 ARG 37 2HH1 ARG 37 6.208 13.561 -1.742 252 HH21 ARG 37 1HH2 ARG 37 3.985 14.509 0.786 253 HH22 ARG 37 2HH2 ARG 37 4.603 14.888 -0.786 254 H GLU 38 H GLU 38 9.359 9.360 1.081 255 HA GLU 38 HA GLU 38 10.768 6.840 0.569 256 HB2 GLU 38 1HB GLU 38 11.910 9.609 0.421 257 HB3 GLU 38 2HB GLU 38 12.927 8.262 0.912 258 HG2 GLU 38 1HG GLU 38 13.327 8.337 -1.339 259 HG3 GLU 38 2HG GLU 38 12.029 7.146 -1.259 260 H LYS 39 H LYS 39 11.969 6.038 2.323 261 HA LYS 39 HA LYS 39 10.960 6.865 4.898 262 HB2 LYS 39 1HB LYS 39 12.683 4.604 3.930 263 HB3 LYS 39 2HB LYS 39 12.544 4.945 5.650 264 HG2 LYS 39 1HG LYS 39 10.160 4.594 5.571 265 HG3 LYS 39 2HG LYS 39 10.220 4.378 3.820 266 HD2 LYS 39 1HD LYS 39 10.238 2.189 4.465 267 HD3 LYS 39 2HD LYS 39 11.975 2.505 4.485 268 HE2 LYS 39 1HE LYS 39 10.419 3.047 6.960 269 HE3 LYS 39 2HE LYS 39 10.731 1.366 6.529 270 HZ1 LYS 39 3HZ LYS 39 12.841 3.439 6.770 271 HZ2 LYS 39 1HZ LYS 39 13.068 1.778 6.543 272 HZ3 LYS 39 2HZ LYS 39 12.433 2.352 8.001 273 HA PRO 40 HA PRO 40 14.318 9.427 6.119 274 HB2 PRO 40 1HB PRO 40 14.208 9.088 8.811 275 HB3 PRO 40 2HB PRO 40 13.017 10.037 7.913 276 HG2 PRO 40 1HG PRO 40 12.835 7.219 8.906 277 HG3 PRO 40 2HG PRO 40 11.613 8.502 8.953 278 HD2 PRO 40 1HD PRO 40 11.586 6.532 7.096 279 HD3 PRO 40 2HD PRO 40 11.002 8.173 6.755 280 H SER 41 H SER 41 16.437 9.067 6.014 281 HA SER 41 HA SER 41 17.543 6.707 7.385 282 HB2 SER 41 1HB SER 41 18.278 7.737 4.635 283 HB3 SER 41 2HB SER 41 19.163 6.481 5.501 284 HG SER 41 HG SER 41 17.130 5.309 5.548 285 H GLY 42 H GLY 42 18.409 9.803 5.842 286 HA2 GLY 42 1HA GLY 42 20.837 10.037 7.366 287 HA3 GLY 42 2HA GLY 42 20.152 11.253 6.299 288 HA PRO 43 HA PRO 43 18.864 13.633 9.741 289 HB2 PRO 43 1HB PRO 43 16.524 14.693 8.861 290 HB3 PRO 43 2HB PRO 43 18.101 15.202 8.245 291 HG2 PRO 43 1HG PRO 43 16.127 13.294 7.051 292 HG3 PRO 43 2HG PRO 43 17.076 14.564 6.258 293 HD2 PRO 43 1HD PRO 43 17.776 11.950 6.166 294 HD3 PRO 43 2HD PRO 43 18.974 13.260 6.161 295 H SER 44 H SER 44 16.912 14.082 11.190 296 HA SER 44 HA SER 44 15.491 11.545 11.658 297 HB2 SER 44 1HB SER 44 16.606 13.616 13.521 298 HB3 SER 44 2HB SER 44 15.256 12.608 14.041 299 HG SER 44 HG SER 44 17.844 11.789 13.240 300 H SER 45 H SER 45 15.134 15.071 11.986 301 HA SER 45 HA SER 45 12.451 14.965 10.966 302 HB2 SER 45 1HB SER 45 11.261 15.677 12.889 303 HB3 SER 45 2HB SER 45 12.272 14.343 13.443 304 HG SER 45 HG SER 45 13.796 16.318 13.837 305 H GLY 46 H GLY 46 11.539 17.085 10.614 306 HA2 GLY 46 1HA GLY 46 13.043 19.445 11.214 307 HA3 GLY 46 2HA GLY 46 13.260 18.940 9.545 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -2.170 -28.944 -19.734 2 HA2 GLY 1 1HA GLY 1 0.222 -27.340 -20.125 3 HA3 GLY 1 2HA GLY 1 -1.292 -26.544 -20.528 4 H SER 2 H SER 2 -0.909 -25.001 -18.880 5 HA SER 2 HA SER 2 -1.065 -26.022 -16.130 6 HB2 SER 2 1HB SER 2 -0.334 -23.258 -17.128 7 HB3 SER 2 2HB SER 2 -0.320 -23.778 -15.443 8 HG SER 2 HG SER 2 1.547 -24.142 -17.373 9 H SER 3 H SER 3 -2.374 -24.663 -14.603 10 HA SER 3 HA SER 3 -5.046 -24.453 -15.614 11 HB2 SER 3 1HB SER 3 -5.570 -23.730 -13.255 12 HB3 SER 3 2HB SER 3 -4.765 -25.294 -13.383 13 HG SER 3 HG SER 3 -3.927 -23.755 -11.764 14 H GLY 4 H GLY 4 -2.908 -22.094 -13.991 15 HA2 GLY 4 1HA GLY 4 -2.562 -19.927 -15.095 16 HA3 GLY 4 2HA GLY 4 -4.255 -19.983 -15.561 17 H SER 5 H SER 5 -4.885 -18.099 -14.581 18 HA SER 5 HA SER 5 -4.233 -17.541 -11.836 19 HB2 SER 5 1HB SER 5 -6.018 -16.189 -13.859 20 HB3 SER 5 2HB SER 5 -5.897 -15.633 -12.190 21 HG SER 5 HG SER 5 -3.948 -15.630 -14.216 22 H SER 6 H SER 6 -5.087 -19.492 -10.884 23 HA SER 6 HA SER 6 -8.005 -19.708 -10.828 24 HB2 SER 6 1HB SER 6 -5.864 -21.563 -9.757 25 HB3 SER 6 2HB SER 6 -7.599 -21.872 -9.681 26 HG SER 6 HG SER 6 -6.043 -22.566 -11.603 27 H GLY 7 H GLY 7 -5.332 -19.838 -8.460 28 HA2 GLY 7 1HA GLY 7 -6.979 -19.412 -6.207 29 HA3 GLY 7 2HA GLY 7 -5.236 -19.192 -6.259 30 H GLU 8 H GLU 8 -4.395 -17.166 -6.374 31 HA GLU 8 HA GLU 8 -5.622 -14.994 -5.378 32 HB2 GLU 8 1HB GLU 8 -3.545 -15.035 -7.570 33 HB3 GLU 8 2HB GLU 8 -4.008 -13.585 -6.691 34 HG2 GLU 8 1HG GLU 8 -3.263 -14.598 -4.605 35 HG3 GLU 8 2HG GLU 8 -2.815 -16.066 -5.474 36 H GLY 9 H GLY 9 -6.863 -13.278 -6.060 37 HA2 GLY 9 1HA GLY 9 -8.411 -13.761 -8.482 38 HA3 GLY 9 2HA GLY 9 -8.782 -12.593 -7.222 39 H GLU 10 H GLU 10 -8.023 -12.798 -10.353 40 HA GLU 10 HA GLU 10 -6.033 -10.741 -10.568 41 HB2 GLU 10 1HB GLU 10 -6.466 -12.603 -12.251 42 HB3 GLU 10 2HB GLU 10 -7.878 -11.686 -12.757 43 HG2 GLU 10 1HG GLU 10 -5.647 -11.426 -14.040 44 HG3 GLU 10 2HG GLU 10 -6.624 -10.002 -13.688 45 H LYS 11 H LYS 11 -6.469 -8.702 -10.070 46 HA LYS 11 HA LYS 11 -9.127 -7.623 -10.742 47 HB2 LYS 11 1HB LYS 11 -7.182 -6.898 -8.556 48 HB3 LYS 11 2HB LYS 11 -8.518 -5.848 -9.010 49 HG2 LYS 11 1HG LYS 11 -10.066 -7.754 -8.537 50 HG3 LYS 11 2HG LYS 11 -8.681 -8.634 -7.887 51 HD2 LYS 11 1HD LYS 11 -9.406 -5.894 -6.897 52 HD3 LYS 11 2HD LYS 11 -10.171 -7.344 -6.242 53 HE2 LYS 11 1HE LYS 11 -7.188 -6.939 -6.361 54 HE3 LYS 11 2HE LYS 11 -8.174 -6.505 -4.965 55 HZ1 LYS 11 3HZ LYS 11 -8.903 -9.070 -5.518 56 HZ2 LYS 11 1HZ LYS 11 -7.840 -8.584 -4.295 57 HZ3 LYS 11 2HZ LYS 11 -7.235 -9.075 -5.796 58 HA PRO 12 HA PRO 12 -7.250 -4.906 -13.649 59 HB2 PRO 12 1HB PRO 12 -9.089 -2.909 -13.650 60 HB3 PRO 12 2HB PRO 12 -9.377 -4.481 -14.406 61 HG2 PRO 12 1HG PRO 12 -10.268 -3.473 -11.731 62 HG3 PRO 12 2HG PRO 12 -11.179 -4.400 -12.938 63 HD2 PRO 12 1HD PRO 12 -10.074 -5.549 -10.749 64 HD3 PRO 12 2HD PRO 12 -10.234 -6.403 -12.297 65 H TYR 13 H TYR 13 -7.388 -4.299 -10.390 66 HA TYR 13 HA TYR 13 -5.849 -1.808 -10.702 67 HB2 TYR 13 1HB TYR 13 -7.733 -2.451 -8.424 68 HB3 TYR 13 2HB TYR 13 -6.794 -0.974 -8.616 69 HD1 TYR 13 HD2 TYR 13 -7.195 0.038 -11.169 70 HD2 TYR 13 HD1 TYR 13 -9.977 -2.172 -8.828 71 HE1 TYR 13 HE2 TYR 13 -9.050 1.058 -12.421 72 HE2 TYR 13 HE1 TYR 13 -11.840 -1.159 -10.074 73 HH TYR 13 HH TYR 13 -11.938 -0.053 -12.659 74 H GLN 14 H GLN 14 -4.189 -3.652 -10.795 75 HA GLN 14 HA GLN 14 -3.376 -4.398 -8.065 76 HB2 GLN 14 1HB GLN 14 -3.767 -6.348 -9.431 77 HB3 GLN 14 2HB GLN 14 -2.757 -5.703 -10.718 78 HG2 GLN 14 1HG GLN 14 -0.786 -6.017 -9.466 79 HG3 GLN 14 2HG GLN 14 -1.688 -6.303 -7.979 80 HE21 GLN 14 1HE2 GLN 14 -1.307 -8.327 -7.412 81 HE22 GLN 14 2HE2 GLN 14 -1.436 -9.707 -8.443 82 H CYS 15 H CYS 15 -1.897 -3.037 -7.306 83 HA CYS 15 HA CYS 15 -0.357 -1.242 -8.719 84 HB2 CYS 15 1HB CYS 15 -0.661 -1.184 -6.271 85 HB3 CYS 15 2HB CYS 15 0.381 -2.595 -6.115 86 H SER 16 H SER 16 1.595 -1.255 -9.720 87 HA SER 16 HA SER 16 2.785 -3.890 -10.204 88 HB2 SER 16 1HB SER 16 2.158 -2.676 -12.210 89 HB3 SER 16 2HB SER 16 3.082 -1.268 -11.689 90 HG SER 16 HG SER 16 4.928 -2.282 -12.149 91 H GLU 17 H GLU 17 3.653 -0.589 -9.259 92 HA GLU 17 HA GLU 17 6.319 -0.569 -9.079 93 HB2 GLU 17 1HB GLU 17 4.214 0.452 -7.243 94 HB3 GLU 17 2HB GLU 17 5.873 0.482 -6.664 95 HG2 GLU 17 1HG GLU 17 5.101 1.647 -9.315 96 HG3 GLU 17 2HG GLU 17 4.986 2.567 -7.817 97 H CYS 18 H CYS 18 4.210 -2.246 -6.772 98 HA CYS 18 HA CYS 18 6.582 -3.681 -5.771 99 HB2 CYS 18 1HB CYS 18 5.262 -4.049 -3.684 100 HB3 CYS 18 2HB CYS 18 5.619 -2.355 -4.002 101 H GLY 19 H GLY 19 3.124 -3.996 -6.518 102 HA2 GLY 19 1HA GLY 19 2.446 -5.875 -7.921 103 HA3 GLY 19 2HA GLY 19 3.618 -6.857 -7.055 104 H LYS 20 H LYS 20 1.368 -4.564 -5.608 105 HA LYS 20 HA LYS 20 0.137 -6.815 -4.167 106 HB2 LYS 20 1HB LYS 20 0.382 -3.895 -3.431 107 HB3 LYS 20 2HB LYS 20 -0.555 -5.064 -2.509 108 HG2 LYS 20 1HG LYS 20 1.384 -6.276 -1.900 109 HG3 LYS 20 2HG LYS 20 2.381 -5.394 -3.060 110 HD2 LYS 20 1HD LYS 20 1.882 -3.308 -1.756 111 HD3 LYS 20 2HD LYS 20 1.122 -4.332 -0.535 112 HE2 LYS 20 1HE LYS 20 3.920 -4.870 -1.456 113 HE3 LYS 20 2HE LYS 20 3.599 -3.634 -0.241 114 HZ1 LYS 20 3HZ LYS 20 3.516 -5.224 1.276 115 HZ2 LYS 20 1HZ LYS 20 3.764 -6.415 0.100 116 HZ3 LYS 20 2HZ LYS 20 2.193 -5.927 0.491 117 H SER 21 H SER 21 -2.120 -6.877 -3.879 118 HA SER 21 HA SER 21 -3.611 -5.328 -5.891 119 HB2 SER 21 1HB SER 21 -4.044 -8.097 -4.773 120 HB3 SER 21 2HB SER 21 -5.305 -7.234 -5.655 121 HG SER 21 HG SER 21 -3.771 -7.057 -7.400 122 H PHE 22 H PHE 22 -5.792 -4.688 -5.359 123 HA PHE 22 HA PHE 22 -6.526 -4.682 -2.544 124 HB2 PHE 22 1HB PHE 22 -6.249 -2.089 -4.076 125 HB3 PHE 22 2HB PHE 22 -6.748 -2.275 -2.397 126 HD1 PHE 22 HD2 PHE 22 -5.070 -3.203 -0.745 127 HD2 PHE 22 HD1 PHE 22 -3.998 -1.873 -4.643 128 HE1 PHE 22 HE2 PHE 22 -2.727 -2.996 -0.026 129 HE2 PHE 22 HE1 PHE 22 -1.652 -1.665 -3.931 130 HZ PHE 22 HZ PHE 22 -1.014 -2.225 -1.619 131 H SER 23 H SER 23 -8.723 -4.046 -2.170 132 HA SER 23 HA SER 23 -10.420 -4.614 -4.473 133 HB2 SER 23 1HB SER 23 -11.184 -4.342 -1.557 134 HB3 SER 23 2HB SER 23 -12.201 -4.972 -2.852 135 HG SER 23 HG SER 23 -10.242 -6.492 -3.079 136 H GLY 24 H GLY 24 -9.954 -2.491 -5.429 137 HA2 GLY 24 1HA GLY 24 -11.824 -0.722 -5.710 138 HA3 GLY 24 2HA GLY 24 -11.324 -0.259 -4.090 139 H SER 25 H SER 25 -11.198 0.977 -6.915 140 HA SER 25 HA SER 25 -8.565 1.269 -7.740 141 HB2 SER 25 1HB SER 25 -11.035 2.918 -8.005 142 HB3 SER 25 2HB SER 25 -9.496 3.671 -8.424 143 HG SER 25 HG SER 25 -9.775 2.688 -10.259 144 H TYR 26 H TYR 26 -10.387 3.584 -5.724 145 HA TYR 26 HA TYR 26 -8.462 5.358 -5.061 146 HB2 TYR 26 1HB TYR 26 -10.763 5.509 -4.234 147 HB3 TYR 26 2HB TYR 26 -10.471 4.162 -3.140 148 HD1 TYR 26 HD2 TYR 26 -8.433 4.516 -1.487 149 HD2 TYR 26 HD1 TYR 26 -10.565 7.657 -3.408 150 HE1 TYR 26 HE2 TYR 26 -7.674 6.084 0.249 151 HE2 TYR 26 HE1 TYR 26 -9.812 9.235 -1.678 152 HH TYR 26 HH TYR 26 -8.273 8.194 1.213 153 H ARG 27 H ARG 27 -9.035 2.313 -3.299 154 HA ARG 27 HA ARG 27 -7.076 2.457 -1.397 155 HB2 ARG 27 1HB ARG 27 -8.781 0.594 -1.824 156 HB3 ARG 27 2HB ARG 27 -7.595 -0.082 -2.932 157 HG2 ARG 27 1HG ARG 27 -7.470 -1.148 -0.754 158 HG3 ARG 27 2HG ARG 27 -5.984 -0.264 -1.111 159 HD2 ARG 27 1HD ARG 27 -6.378 1.317 0.491 160 HD3 ARG 27 2HD ARG 27 -8.130 1.162 0.367 161 HE ARG 27 HE ARG 27 -7.231 -1.218 1.426 162 HH11 ARG 27 1HH1 ARG 27 -7.125 2.150 2.302 163 HH12 ARG 27 2HH1 ARG 27 -7.106 1.840 4.006 164 HH21 ARG 27 1HH2 ARG 27 -7.207 -1.638 3.668 165 HH22 ARG 27 2HH2 ARG 27 -7.152 -0.315 4.782 166 H LEU 28 H LEU 28 -6.705 1.488 -4.779 167 HA LEU 28 HA LEU 28 -4.012 0.705 -4.648 168 HB2 LEU 28 1HB LEU 28 -5.526 0.204 -6.525 169 HB3 LEU 28 2HB LEU 28 -5.501 1.907 -6.978 170 HG LEU 28 HG LEU 28 -2.884 1.431 -7.095 171 HD11 LEU 28 1HD1 LEU 28 -2.658 -0.784 -6.551 172 HD12 LEU 28 2HD1 LEU 28 -2.811 -0.892 -8.304 173 HD13 LEU 28 3HD1 LEU 28 -4.201 -1.235 -7.275 174 HD21 LEU 28 3HD2 LEU 28 -3.103 1.485 -9.390 175 HD22 LEU 28 1HD2 LEU 28 -4.656 2.137 -8.868 176 HD23 LEU 28 2HD2 LEU 28 -4.535 0.455 -9.385 177 H THR 29 H THR 29 -5.467 3.821 -5.558 178 HA THR 29 HA THR 29 -3.101 5.202 -6.090 179 HB THR 29 HB THR 29 -5.674 6.326 -4.963 180 HG1 THR 29 HG1 THR 29 -5.995 5.250 -6.945 181 HG21 THR 29 3HG2 THR 29 -3.748 7.839 -6.680 182 HG22 THR 29 1HG2 THR 29 -3.463 7.715 -4.945 183 HG23 THR 29 2HG2 THR 29 -4.951 8.447 -5.544 184 H GLN 30 H GLN 30 -5.071 5.497 -3.126 185 HA GLN 30 HA GLN 30 -3.416 6.974 -1.571 186 HB2 GLN 30 1HB GLN 30 -4.429 5.957 0.374 187 HB3 GLN 30 2HB GLN 30 -5.646 6.142 -0.882 188 HG2 GLN 30 1HG GLN 30 -5.561 3.819 -1.409 189 HG3 GLN 30 2HG GLN 30 -4.165 3.579 -0.360 190 HE21 GLN 30 1HE2 GLN 30 -4.487 3.933 1.942 191 HE22 GLN 30 2HE2 GLN 30 -6.027 3.573 2.638 192 H HIS 31 H HIS 31 -3.066 3.565 -2.338 193 HA HIS 31 HA HIS 31 -0.907 3.124 -0.505 194 HB2 HIS 31 1HB HIS 31 -2.085 1.171 -0.999 195 HB3 HIS 31 2HB HIS 31 -2.161 1.535 -2.720 196 HD1 HIS 31 HD1 HIS 31 0.208 0.236 -0.096 197 HD2 HIS 31 HD2 HIS 31 -0.072 0.549 -4.229 198 HE1 HIS 31 HE1 HIS 31 2.103 -1.145 -1.005 199 H TRP 32 H TRP 32 -1.134 3.476 -4.039 200 HA TRP 32 HA TRP 32 1.464 3.173 -4.789 201 HB2 TRP 32 1HB TRP 32 -0.745 4.915 -5.778 202 HB3 TRP 32 2HB TRP 32 0.872 5.188 -6.422 203 HD1 TRP 32 HD1 TRP 32 -0.883 1.807 -5.678 204 HE1 TRP 32 HE1 TRP 32 -0.866 0.416 -7.843 205 HE3 TRP 32 HE3 TRP 32 1.253 5.226 -8.822 206 HZ2 TRP 32 HZ2 TRP 32 -0.054 0.726 -10.529 207 HZ3 TRP 32 HZ3 TRP 32 1.616 4.600 -11.174 208 HH2 TRP 32 HH2 TRP 32 0.976 2.396 -12.007 209 H ILE 33 H ILE 33 0.169 5.669 -2.808 210 HA ILE 33 HA ILE 33 1.953 7.755 -3.192 211 HB ILE 33 HB ILE 33 0.791 6.867 -0.550 212 HG12 ILE 33 1HG1 ILE 33 -0.877 7.218 -2.398 213 HG13 ILE 33 2HG1 ILE 33 -1.081 8.294 -1.021 214 HG21 ILE 33 1HG2 ILE 33 1.743 8.651 0.368 215 HG22 ILE 33 2HG2 ILE 33 2.637 8.887 -1.133 216 HG23 ILE 33 3HG2 ILE 33 1.094 9.704 -0.889 217 HD11 ILE 33 3HD1 ILE 33 -0.380 10.142 -2.195 218 HD12 ILE 33 1HD1 ILE 33 0.520 9.186 -3.372 219 HD13 ILE 33 2HD1 ILE 33 -1.243 9.227 -3.430 220 H THR 34 H THR 34 2.272 4.909 -1.099 221 HA THR 34 HA THR 34 4.566 5.462 0.270 222 HB THR 34 HB THR 34 3.247 3.356 0.479 223 HG1 THR 34 HG1 THR 34 5.354 2.021 0.548 224 HG21 THR 34 3HG2 THR 34 3.268 2.951 -2.044 225 HG22 THR 34 1HG2 THR 34 3.515 1.548 -1.005 226 HG23 THR 34 2HG2 THR 34 4.891 2.304 -1.809 227 H HIS 35 H HIS 35 4.267 4.569 -3.113 228 HA HIS 35 HA HIS 35 7.128 4.347 -3.480 229 HB2 HIS 35 1HB HIS 35 5.054 4.483 -5.663 230 HB3 HIS 35 2HB HIS 35 6.651 3.743 -5.725 231 HD1 HIS 35 HD1 HIS 35 6.713 1.815 -3.503 232 HD2 HIS 35 HD2 HIS 35 3.246 2.487 -5.692 233 HE1 HIS 35 HE1 HIS 35 5.303 -0.241 -3.176 234 H THR 36 H THR 36 4.564 6.655 -4.210 235 HA THR 36 HA THR 36 6.031 8.417 -5.817 236 HB THR 36 HB THR 36 3.805 9.154 -3.906 237 HG1 THR 36 HG1 THR 36 2.944 7.630 -5.230 238 HG21 THR 36 3HG2 THR 36 3.643 11.159 -4.964 239 HG22 THR 36 1HG2 THR 36 4.179 10.509 -6.513 240 HG23 THR 36 2HG2 THR 36 5.359 10.875 -5.254 241 H ARG 37 H ARG 37 5.510 8.418 -2.299 242 HA ARG 37 HA ARG 37 7.916 10.083 -2.031 243 HB2 ARG 37 1HB ARG 37 6.854 11.361 -0.234 244 HB3 ARG 37 2HB ARG 37 5.965 11.533 -1.742 245 HG2 ARG 37 1HG ARG 37 4.569 9.530 -0.746 246 HG3 ARG 37 2HG ARG 37 5.188 10.171 0.778 247 HD2 ARG 37 1HD ARG 37 3.024 11.148 0.243 248 HD3 ARG 37 2HD ARG 37 4.290 12.375 0.213 249 HE ARG 37 HE ARG 37 4.103 11.548 -2.374 250 HH11 ARG 37 1HH1 ARG 37 1.842 12.783 -0.033 251 HH12 ARG 37 2HH1 ARG 37 0.823 13.530 -1.218 252 HH21 ARG 37 1HH2 ARG 37 2.770 12.528 -3.944 253 HH22 ARG 37 2HH2 ARG 37 1.351 13.384 -3.442 254 H GLU 38 H GLU 38 9.334 9.386 -0.546 255 HA GLU 38 HA GLU 38 8.484 7.731 1.674 256 HB2 GLU 38 1HB GLU 38 9.949 5.864 1.144 257 HB3 GLU 38 2HB GLU 38 8.778 6.099 -0.147 258 HG2 GLU 38 1HG GLU 38 10.639 7.483 -1.273 259 HG3 GLU 38 2HG GLU 38 11.712 6.666 -0.138 260 H LYS 39 H LYS 39 10.522 7.027 2.960 261 HA LYS 39 HA LYS 39 12.448 9.259 2.932 262 HB2 LYS 39 1HB LYS 39 12.560 9.125 5.357 263 HB3 LYS 39 2HB LYS 39 10.897 9.381 4.847 264 HG2 LYS 39 1HG LYS 39 10.492 6.950 5.120 265 HG3 LYS 39 2HG LYS 39 12.127 6.793 5.767 266 HD2 LYS 39 1HD LYS 39 10.263 8.794 6.965 267 HD3 LYS 39 2HD LYS 39 10.082 7.088 7.378 268 HE2 LYS 39 1HE LYS 39 12.165 6.984 8.395 269 HE3 LYS 39 2HE LYS 39 12.767 8.399 7.534 270 HZ1 LYS 39 3HZ LYS 39 11.866 9.804 9.030 271 HZ2 LYS 39 1HZ LYS 39 11.983 8.467 10.060 272 HZ3 LYS 39 2HZ LYS 39 10.509 8.835 9.316 273 HA PRO 40 HA PRO 40 15.699 6.321 2.651 274 HB2 PRO 40 1HB PRO 40 17.671 7.615 3.997 275 HB3 PRO 40 2HB PRO 40 17.121 8.107 2.390 276 HG2 PRO 40 1HG PRO 40 16.402 9.238 5.067 277 HG3 PRO 40 2HG PRO 40 16.784 10.089 3.559 278 HD2 PRO 40 1HD PRO 40 14.243 9.719 4.421 279 HD3 PRO 40 2HD PRO 40 14.669 9.772 2.698 280 H SER 41 H SER 41 15.041 4.545 3.843 281 HA SER 41 HA SER 41 16.040 4.452 6.608 282 HB2 SER 41 1HB SER 41 13.501 4.675 6.439 283 HB3 SER 41 2HB SER 41 13.508 3.054 5.744 284 HG SER 41 HG SER 41 14.361 3.853 8.323 285 H GLY 42 H GLY 42 14.830 2.450 3.916 286 HA2 GLY 42 1HA GLY 42 16.843 0.953 3.172 287 HA3 GLY 42 2HA GLY 42 16.602 0.280 4.778 288 HA PRO 43 HA PRO 43 12.731 -0.784 2.026 289 HB2 PRO 43 1HB PRO 43 13.215 -0.745 -0.645 290 HB3 PRO 43 2HB PRO 43 12.590 0.653 0.239 291 HG2 PRO 43 1HG PRO 43 15.393 0.058 -0.628 292 HG3 PRO 43 2HG PRO 43 14.501 1.588 -0.701 293 HD2 PRO 43 1HD PRO 43 16.311 1.050 1.239 294 HD3 PRO 43 2HD PRO 43 14.880 2.062 1.522 295 H SER 44 H SER 44 15.904 -1.528 0.592 296 HA SER 44 HA SER 44 15.229 -4.168 -0.185 297 HB2 SER 44 1HB SER 44 17.532 -4.441 -0.721 298 HB3 SER 44 2HB SER 44 17.156 -2.752 -1.063 299 HG SER 44 HG SER 44 18.783 -3.854 0.893 300 H SER 45 H SER 45 15.620 -6.131 0.789 301 HA SER 45 HA SER 45 16.908 -6.296 3.363 302 HB2 SER 45 1HB SER 45 14.913 -7.242 4.516 303 HB3 SER 45 2HB SER 45 14.713 -5.544 4.084 304 HG SER 45 HG SER 45 13.862 -7.432 2.227 305 H GLY 46 H GLY 46 16.468 -8.657 4.265 306 HA2 GLY 46 1HA GLY 46 16.320 -10.564 2.036 307 HA3 GLY 46 2HA GLY 46 17.767 -10.547 3.033 Start of MODEL 9 1 H1 GLY 1 H GLY 1 11.415 -16.311 -10.264 2 HA2 GLY 1 1HA GLY 1 10.022 -18.848 -10.802 3 HA3 GLY 1 2HA GLY 1 11.423 -18.659 -9.757 4 H SER 2 H SER 2 10.855 -16.814 -7.990 5 HA SER 2 HA SER 2 9.154 -18.022 -6.162 6 HB2 SER 2 1HB SER 2 10.962 -16.195 -5.809 7 HB3 SER 2 2HB SER 2 9.651 -15.055 -6.114 8 HG SER 2 HG SER 2 10.156 -15.904 -3.837 9 H SER 3 H SER 3 7.025 -18.199 -6.079 10 HA SER 3 HA SER 3 5.329 -15.986 -6.903 11 HB2 SER 3 1HB SER 3 5.776 -17.616 -8.884 12 HB3 SER 3 2HB SER 3 4.685 -18.700 -8.021 13 HG SER 3 HG SER 3 3.072 -17.530 -8.668 14 H GLY 4 H GLY 4 3.508 -15.834 -5.705 15 HA2 GLY 4 1HA GLY 4 2.643 -18.172 -4.152 16 HA3 GLY 4 2HA GLY 4 3.053 -16.697 -3.289 17 H SER 5 H SER 5 0.842 -18.127 -5.624 18 HA SER 5 HA SER 5 -1.354 -16.619 -4.595 19 HB2 SER 5 1HB SER 5 -0.134 -15.004 -6.176 20 HB3 SER 5 2HB SER 5 -0.695 -16.047 -7.482 21 HG SER 5 HG SER 5 -2.059 -14.189 -6.049 22 H SER 6 H SER 6 -2.888 -18.109 -4.554 23 HA SER 6 HA SER 6 -2.888 -20.507 -5.948 24 HB2 SER 6 1HB SER 6 -5.174 -20.794 -5.196 25 HB3 SER 6 2HB SER 6 -4.248 -20.017 -3.912 26 HG SER 6 HG SER 6 -5.919 -18.678 -5.779 27 H GLY 7 H GLY 7 -4.769 -21.207 -7.426 28 HA2 GLY 7 1HA GLY 7 -4.498 -20.292 -9.940 29 HA3 GLY 7 2HA GLY 7 -6.026 -20.935 -9.356 30 H GLU 8 H GLU 8 -7.353 -19.273 -8.066 31 HA GLU 8 HA GLU 8 -7.669 -16.964 -9.778 32 HB2 GLU 8 1HB GLU 8 -9.572 -18.383 -8.863 33 HB3 GLU 8 2HB GLU 8 -9.268 -17.622 -7.308 34 HG2 GLU 8 1HG GLU 8 -9.797 -15.459 -8.196 35 HG3 GLU 8 2HG GLU 8 -9.932 -16.117 -9.826 36 H GLY 9 H GLY 9 -7.966 -14.785 -8.879 37 HA2 GLY 9 1HA GLY 9 -7.577 -13.552 -6.652 38 HA3 GLY 9 2HA GLY 9 -5.989 -14.300 -6.751 39 H GLU 10 H GLU 10 -7.833 -13.012 -9.464 40 HA GLU 10 HA GLU 10 -5.662 -11.079 -9.906 41 HB2 GLU 10 1HB GLU 10 -7.695 -12.140 -11.877 42 HB3 GLU 10 2HB GLU 10 -6.358 -11.061 -12.250 43 HG2 GLU 10 1HG GLU 10 -5.800 -13.706 -10.998 44 HG3 GLU 10 2HG GLU 10 -6.170 -13.615 -12.718 45 H LYS 11 H LYS 11 -6.172 -9.161 -9.064 46 HA LYS 11 HA LYS 11 -8.932 -8.225 -9.099 47 HB2 LYS 11 1HB LYS 11 -6.420 -7.130 -7.829 48 HB3 LYS 11 2HB LYS 11 -7.971 -6.303 -7.772 49 HG2 LYS 11 1HG LYS 11 -7.568 -9.099 -6.748 50 HG3 LYS 11 2HG LYS 11 -7.373 -7.660 -5.745 51 HD2 LYS 11 1HD LYS 11 -9.660 -7.048 -6.050 52 HD3 LYS 11 2HD LYS 11 -9.886 -8.286 -7.287 53 HE2 LYS 11 1HE LYS 11 -9.105 -8.954 -4.462 54 HE3 LYS 11 2HE LYS 11 -10.788 -8.790 -4.959 55 HZ1 LYS 11 3HZ LYS 11 -8.886 -10.628 -6.295 56 HZ2 LYS 11 1HZ LYS 11 -10.569 -10.584 -6.456 57 HZ3 LYS 11 2HZ LYS 11 -9.872 -11.102 -5.005 58 HA PRO 12 HA PRO 12 -8.510 -5.539 -12.546 59 HB2 PRO 12 1HB PRO 12 -10.137 -3.492 -11.815 60 HB3 PRO 12 2HB PRO 12 -10.748 -5.076 -12.306 61 HG2 PRO 12 1HG PRO 12 -10.357 -3.967 -9.553 62 HG3 PRO 12 2HG PRO 12 -11.717 -4.903 -10.199 63 HD2 PRO 12 1HD PRO 12 -9.774 -6.017 -8.677 64 HD3 PRO 12 2HD PRO 12 -10.611 -6.911 -9.963 65 H TYR 13 H TYR 13 -7.689 -4.441 -9.367 66 HA TYR 13 HA TYR 13 -6.022 -2.321 -10.554 67 HB2 TYR 13 1HB TYR 13 -7.677 -2.268 -8.042 68 HB3 TYR 13 2HB TYR 13 -6.305 -1.186 -8.256 69 HD1 TYR 13 HD1 TYR 13 -9.353 -2.288 -10.125 70 HD2 TYR 13 HD2 TYR 13 -6.730 0.908 -9.121 71 HE1 TYR 13 HE1 TYR 13 -10.788 -0.726 -11.370 72 HE2 TYR 13 HE2 TYR 13 -8.158 2.478 -10.363 73 HH TYR 13 HH TYR 13 -10.043 1.921 -12.541 74 H GLN 14 H GLN 14 -4.222 -3.687 -10.650 75 HA GLN 14 HA GLN 14 -3.173 -4.609 -8.061 76 HB2 GLN 14 1HB GLN 14 -3.402 -6.435 -9.594 77 HB3 GLN 14 2HB GLN 14 -2.610 -5.532 -10.878 78 HG2 GLN 14 1HG GLN 14 -1.093 -6.026 -8.377 79 HG3 GLN 14 2HG GLN 14 -1.346 -7.375 -9.483 80 HE21 GLN 14 1HE2 GLN 14 -1.169 -6.244 -11.914 81 HE22 GLN 14 2HE2 GLN 14 0.401 -5.566 -12.161 82 H CYS 15 H CYS 15 -1.814 -3.183 -7.203 83 HA CYS 15 HA CYS 15 -0.574 -1.053 -8.377 84 HB2 CYS 15 1HB CYS 15 -0.657 -1.732 -5.897 85 HB3 CYS 15 2HB CYS 15 0.807 -2.652 -6.231 86 H SER 16 H SER 16 0.577 -1.090 -10.198 87 HA SER 16 HA SER 16 2.338 -3.304 -10.818 88 HB2 SER 16 1HB SER 16 0.871 -2.069 -12.510 89 HB3 SER 16 2HB SER 16 2.042 -0.754 -12.406 90 HG SER 16 HG SER 16 2.298 -2.524 -14.081 91 H GLU 17 H GLU 17 2.928 -1.517 -8.532 92 HA GLU 17 HA GLU 17 5.552 -0.511 -9.421 93 HB2 GLU 17 1HB GLU 17 3.564 0.561 -7.470 94 HB3 GLU 17 2HB GLU 17 5.272 0.827 -7.149 95 HG2 GLU 17 1HG GLU 17 3.948 1.563 -9.744 96 HG3 GLU 17 2HG GLU 17 4.092 2.667 -8.377 97 H CYS 18 H CYS 18 3.821 -2.528 -7.206 98 HA CYS 18 HA CYS 18 6.381 -3.467 -6.113 99 HB2 CYS 18 1HB CYS 18 5.278 -3.768 -3.899 100 HB3 CYS 18 2HB CYS 18 5.422 -2.080 -4.382 101 H GLY 19 H GLY 19 2.973 -4.131 -6.753 102 HA2 GLY 19 1HA GLY 19 2.482 -6.221 -7.936 103 HA3 GLY 19 2HA GLY 19 3.664 -7.000 -6.895 104 H LYS 20 H LYS 20 0.964 -4.790 -6.196 105 HA LYS 20 HA LYS 20 -0.118 -6.856 -4.393 106 HB2 LYS 20 1HB LYS 20 0.245 -3.917 -4.039 107 HB3 LYS 20 2HB LYS 20 -1.153 -4.676 -3.288 108 HG2 LYS 20 1HG LYS 20 0.272 -6.166 -2.040 109 HG3 LYS 20 2HG LYS 20 1.701 -5.540 -2.865 110 HD2 LYS 20 1HD LYS 20 0.934 -3.248 -1.937 111 HD3 LYS 20 2HD LYS 20 -0.042 -4.208 -0.823 112 HE2 LYS 20 1HE LYS 20 2.882 -4.759 -1.180 113 HE3 LYS 20 2HE LYS 20 2.330 -3.479 -0.101 114 HZ1 LYS 20 3HZ LYS 20 2.655 -5.540 1.099 115 HZ2 LYS 20 1HZ LYS 20 1.576 -6.347 0.075 116 HZ3 LYS 20 2HZ LYS 20 1.015 -5.124 1.100 117 H SER 21 H SER 21 -2.234 -7.372 -4.565 118 HA SER 21 HA SER 21 -3.724 -6.106 -6.747 119 HB2 SER 21 1HB SER 21 -3.883 -8.780 -5.392 120 HB3 SER 21 2HB SER 21 -5.272 -8.161 -6.284 121 HG SER 21 HG SER 21 -4.276 -8.933 -7.961 122 H PHE 22 H PHE 22 -5.381 -4.796 -6.366 123 HA PHE 22 HA PHE 22 -6.722 -4.932 -3.751 124 HB2 PHE 22 1HB PHE 22 -5.896 -2.416 -5.215 125 HB3 PHE 22 2HB PHE 22 -6.879 -2.459 -3.755 126 HD1 PHE 22 HD2 PHE 22 -5.829 -3.604 -1.693 127 HD2 PHE 22 HD1 PHE 22 -3.597 -2.260 -5.058 128 HE1 PHE 22 HE2 PHE 22 -3.788 -3.562 -0.318 129 HE2 PHE 22 HE1 PHE 22 -1.553 -2.216 -3.689 130 HZ PHE 22 HZ PHE 22 -1.647 -2.866 -1.316 131 H SER 23 H SER 23 -8.903 -4.125 -3.725 132 HA SER 23 HA SER 23 -10.209 -4.430 -6.340 133 HB2 SER 23 1HB SER 23 -10.800 -5.980 -4.403 134 HB3 SER 23 2HB SER 23 -11.557 -4.581 -3.642 135 HG SER 23 HG SER 23 -12.348 -6.048 -5.870 136 H GLY 24 H GLY 24 -9.368 -2.084 -6.532 137 HA2 GLY 24 1HA GLY 24 -11.371 -0.306 -6.807 138 HA3 GLY 24 2HA GLY 24 -10.943 -0.108 -5.114 139 H SER 25 H SER 25 -10.744 1.964 -6.969 140 HA SER 25 HA SER 25 -7.997 2.186 -7.829 141 HB2 SER 25 1HB SER 25 -9.825 3.184 -9.156 142 HB3 SER 25 2HB SER 25 -10.203 4.262 -7.813 143 HG SER 25 HG SER 25 -8.871 5.302 -9.324 144 H TYR 26 H TYR 26 -10.042 3.554 -5.295 145 HA TYR 26 HA TYR 26 -8.257 5.443 -4.278 146 HB2 TYR 26 1HB TYR 26 -10.679 5.202 -3.659 147 HB3 TYR 26 2HB TYR 26 -10.232 3.824 -2.660 148 HD1 TYR 26 HD2 TYR 26 -8.460 4.256 -0.820 149 HD2 TYR 26 HD1 TYR 26 -10.648 7.348 -2.758 150 HE1 TYR 26 HE2 TYR 26 -7.972 5.769 1.056 151 HE2 TYR 26 HE1 TYR 26 -10.164 8.870 -0.888 152 HH TYR 26 HH TYR 26 -8.922 9.168 0.971 153 H ARG 27 H ARG 27 -8.893 2.172 -2.994 154 HA ARG 27 HA ARG 27 -6.929 2.066 -1.079 155 HB2 ARG 27 1HB ARG 27 -7.875 -0.169 -2.881 156 HB3 ARG 27 2HB ARG 27 -6.947 -0.398 -1.406 157 HG2 ARG 27 1HG ARG 27 -9.537 1.088 -1.332 158 HG3 ARG 27 2HG ARG 27 -9.518 -0.677 -1.359 159 HD2 ARG 27 1HD ARG 27 -8.070 1.047 0.649 160 HD3 ARG 27 2HD ARG 27 -9.619 0.252 0.928 161 HE ARG 27 HE ARG 27 -7.689 -1.641 0.110 162 HH11 ARG 27 1HH1 ARG 27 -8.591 0.334 2.832 163 HH12 ARG 27 2HH1 ARG 27 -7.914 -0.746 4.006 164 HH21 ARG 27 1HH2 ARG 27 -6.795 -3.070 1.646 165 HH22 ARG 27 2HH2 ARG 27 -6.892 -2.681 3.330 166 H LEU 28 H LEU 28 -6.565 2.016 -4.510 167 HA LEU 28 HA LEU 28 -3.893 0.929 -4.478 168 HB2 LEU 28 1HB LEU 28 -5.483 0.632 -6.372 169 HB3 LEU 28 2HB LEU 28 -5.332 2.355 -6.709 170 HG LEU 28 HG LEU 28 -2.767 1.741 -6.874 171 HD11 LEU 28 1HD1 LEU 28 -3.611 -0.734 -8.153 172 HD12 LEU 28 2HD1 LEU 28 -3.792 -0.762 -6.399 173 HD13 LEU 28 3HD1 LEU 28 -2.221 -0.408 -7.118 174 HD21 LEU 28 3HD2 LEU 28 -3.720 0.867 -9.350 175 HD22 LEU 28 1HD2 LEU 28 -3.283 2.513 -8.891 176 HD23 LEU 28 2HD2 LEU 28 -4.953 1.967 -8.733 177 H THR 29 H THR 29 -5.063 4.015 -5.815 178 HA THR 29 HA THR 29 -2.719 5.383 -5.936 179 HB THR 29 HB THR 29 -4.782 6.357 -6.759 180 HG1 THR 29 HG1 THR 29 -4.456 8.498 -5.894 181 HG21 THR 29 3HG2 THR 29 -6.112 5.536 -4.717 182 HG22 THR 29 1HG2 THR 29 -6.553 7.094 -5.414 183 HG23 THR 29 2HG2 THR 29 -5.583 7.029 -3.943 184 H GLN 30 H GLN 30 -4.900 5.383 -3.114 185 HA GLN 30 HA GLN 30 -3.430 6.961 -1.407 186 HB2 GLN 30 1HB GLN 30 -4.741 6.141 0.318 187 HB3 GLN 30 2HB GLN 30 -5.732 5.785 -1.090 188 HG2 GLN 30 1HG GLN 30 -5.813 3.863 0.246 189 HG3 GLN 30 2HG GLN 30 -4.703 3.479 -1.069 190 HE21 GLN 30 1HE2 GLN 30 -4.446 5.120 2.071 191 HE22 GLN 30 2HE2 GLN 30 -3.086 4.211 2.625 192 H HIS 31 H HIS 31 -2.848 3.660 -2.365 193 HA HIS 31 HA HIS 31 -0.839 3.218 -0.330 194 HB2 HIS 31 1HB HIS 31 -1.949 1.240 -0.873 195 HB3 HIS 31 2HB HIS 31 -1.951 1.597 -2.598 196 HD1 HIS 31 HD1 HIS 31 0.545 0.684 0.120 197 HD2 HIS 31 HD2 HIS 31 -0.004 0.315 -3.982 198 HE1 HIS 31 HE1 HIS 31 2.449 -0.748 -0.688 199 H TRP 32 H TRP 32 -0.935 3.768 -3.828 200 HA TRP 32 HA TRP 32 1.702 3.430 -4.499 201 HB2 TRP 32 1HB TRP 32 -0.434 5.270 -5.501 202 HB3 TRP 32 2HB TRP 32 1.209 5.459 -6.107 203 HD1 TRP 32 HD1 TRP 32 -0.774 2.185 -5.455 204 HE1 TRP 32 HE1 TRP 32 -0.780 0.819 -7.636 205 HE3 TRP 32 HE3 TRP 32 1.676 5.491 -8.489 206 HZ2 TRP 32 HZ2 TRP 32 0.133 1.106 -10.292 207 HZ3 TRP 32 HZ3 TRP 32 2.070 4.868 -10.836 208 HH2 TRP 32 HH2 TRP 32 1.315 2.720 -11.717 209 H ILE 33 H ILE 33 0.207 6.237 -2.961 210 HA ILE 33 HA ILE 33 2.120 8.145 -3.071 211 HB ILE 33 HB ILE 33 0.480 7.327 -0.678 212 HG12 ILE 33 1HG1 ILE 33 0.178 9.735 -2.472 213 HG13 ILE 33 2HG1 ILE 33 -0.611 8.198 -2.812 214 HG21 ILE 33 1HG2 ILE 33 2.659 9.238 -0.861 215 HG22 ILE 33 2HG2 ILE 33 1.151 9.979 -0.327 216 HG23 ILE 33 3HG2 ILE 33 1.822 8.609 0.558 217 HD11 ILE 33 3HD1 ILE 33 -0.991 9.403 -0.128 218 HD12 ILE 33 1HD1 ILE 33 -1.830 10.124 -1.501 219 HD13 ILE 33 2HD1 ILE 33 -2.092 8.427 -1.100 220 H THR 34 H THR 34 2.224 5.219 -1.124 221 HA THR 34 HA THR 34 4.396 5.812 0.516 222 HB THR 34 HB THR 34 4.759 3.367 0.670 223 HG1 THR 34 HG1 THR 34 3.042 2.139 -0.564 224 HG21 THR 34 3HG2 THR 34 1.806 3.954 0.697 225 HG22 THR 34 1HG2 THR 34 2.914 4.603 1.906 226 HG23 THR 34 2HG2 THR 34 2.711 2.858 1.741 227 H HIS 35 H HIS 35 4.335 4.393 -2.736 228 HA HIS 35 HA HIS 35 7.121 3.979 -2.944 229 HB2 HIS 35 1HB HIS 35 5.129 4.443 -5.173 230 HB3 HIS 35 2HB HIS 35 6.721 3.708 -5.337 231 HD1 HIS 35 HD1 HIS 35 6.710 1.663 -3.115 232 HD2 HIS 35 HD2 HIS 35 3.421 2.378 -5.550 233 HE1 HIS 35 HE1 HIS 35 5.324 -0.433 -3.006 234 H THR 36 H THR 36 5.051 6.725 -3.655 235 HA THR 36 HA THR 36 6.660 8.312 -5.203 236 HB THR 36 HB THR 36 5.050 9.363 -2.872 237 HG1 THR 36 HG1 THR 36 4.281 8.238 -5.319 238 HG21 THR 36 3HG2 THR 36 4.882 11.379 -4.095 239 HG22 THR 36 1HG2 THR 36 5.512 10.633 -5.563 240 HG23 THR 36 2HG2 THR 36 6.581 10.913 -4.188 241 H ARG 37 H ARG 37 6.597 8.325 -1.633 242 HA ARG 37 HA ARG 37 8.959 9.952 -1.481 243 HB2 ARG 37 1HB ARG 37 8.753 9.670 0.934 244 HB3 ARG 37 2HB ARG 37 7.200 10.092 0.225 245 HG2 ARG 37 1HG ARG 37 6.697 7.600 0.230 246 HG3 ARG 37 2HG ARG 37 8.106 7.436 1.280 247 HD2 ARG 37 1HD ARG 37 7.125 8.719 2.982 248 HD3 ARG 37 2HD ARG 37 5.894 9.367 1.898 249 HE ARG 37 HE ARG 37 4.612 7.528 2.330 250 HH11 ARG 37 1HH1 ARG 37 7.901 6.845 3.244 251 HH12 ARG 37 2HH1 ARG 37 7.520 5.316 3.965 252 HH21 ARG 37 1HH2 ARG 37 4.098 5.517 3.276 253 HH22 ARG 37 2HH2 ARG 37 5.357 4.562 3.982 254 H GLU 38 H GLU 38 8.187 6.542 -0.886 255 HA GLU 38 HA GLU 38 11.013 5.956 -0.438 256 HB2 GLU 38 1HB GLU 38 9.340 4.970 1.082 257 HB3 GLU 38 2HB GLU 38 8.598 4.144 -0.281 258 HG2 GLU 38 1HG GLU 38 9.924 2.536 0.784 259 HG3 GLU 38 2HG GLU 38 10.832 3.020 -0.648 260 H LYS 39 H LYS 39 11.867 6.219 -2.504 261 HA LYS 39 HA LYS 39 10.802 4.536 -4.647 262 HB2 LYS 39 1HB LYS 39 12.889 6.721 -4.645 263 HB3 LYS 39 2HB LYS 39 12.464 5.774 -6.065 264 HG2 LYS 39 1HG LYS 39 10.240 6.643 -6.066 265 HG3 LYS 39 2HG LYS 39 10.495 7.435 -4.510 266 HD2 LYS 39 1HD LYS 39 12.271 8.099 -6.821 267 HD3 LYS 39 2HD LYS 39 10.659 8.811 -6.723 268 HE2 LYS 39 1HE LYS 39 11.202 9.666 -4.478 269 HE3 LYS 39 2HE LYS 39 12.824 8.994 -4.629 270 HZ1 LYS 39 3HZ LYS 39 11.994 11.490 -5.426 271 HZ2 LYS 39 1HZ LYS 39 12.179 10.622 -6.866 272 HZ3 LYS 39 2HZ LYS 39 13.474 10.754 -5.785 273 HA PRO 40 HA PRO 40 13.884 1.438 -4.130 274 HB2 PRO 40 1HB PRO 40 13.914 0.427 -6.650 275 HB3 PRO 40 2HB PRO 40 12.593 0.134 -5.513 276 HG2 PRO 40 1HG PRO 40 12.760 2.113 -7.752 277 HG3 PRO 40 2HG PRO 40 11.406 1.069 -7.280 278 HD2 PRO 40 1HD PRO 40 11.526 3.691 -6.612 279 HD3 PRO 40 2HD PRO 40 10.752 2.475 -5.575 280 H SER 41 H SER 41 15.842 0.552 -5.522 281 HA SER 41 HA SER 41 17.710 2.691 -5.693 282 HB2 SER 41 1HB SER 41 18.577 0.609 -4.966 283 HB3 SER 41 2HB SER 41 17.873 -0.252 -6.335 284 HG SER 41 HG SER 41 19.713 1.794 -6.843 285 H GLY 42 H GLY 42 16.186 0.583 -8.113 286 HA2 GLY 42 1HA GLY 42 15.607 1.162 -10.299 287 HA3 GLY 42 2HA GLY 42 16.488 2.671 -10.107 288 HA PRO 43 HA PRO 43 19.875 -0.616 -11.108 289 HB2 PRO 43 1HB PRO 43 19.039 -3.144 -11.637 290 HB3 PRO 43 2HB PRO 43 19.452 -2.590 -10.010 291 HG2 PRO 43 1HG PRO 43 16.760 -2.875 -11.287 292 HG3 PRO 43 2HG PRO 43 17.273 -3.318 -9.649 293 HD2 PRO 43 1HD PRO 43 15.906 -1.043 -10.181 294 HD3 PRO 43 2HD PRO 43 17.102 -1.154 -8.874 295 H SER 44 H SER 44 16.750 -1.119 -12.693 296 HA SER 44 HA SER 44 18.123 -0.936 -15.295 297 HB2 SER 44 1HB SER 44 16.242 -2.283 -16.224 298 HB3 SER 44 2HB SER 44 17.193 -3.161 -15.027 299 HG SER 44 HG SER 44 14.883 -3.344 -14.759 300 H SER 45 H SER 45 17.789 1.010 -16.132 301 HA SER 45 HA SER 45 15.178 2.302 -15.715 302 HB2 SER 45 1HB SER 45 17.046 3.603 -14.837 303 HB3 SER 45 2HB SER 45 17.860 3.530 -16.400 304 HG SER 45 HG SER 45 16.416 5.449 -15.727 305 H GLY 46 H GLY 46 13.855 2.056 -17.389 306 HA2 GLY 46 1HA GLY 46 14.156 3.097 -19.884 307 HA3 GLY 46 2HA GLY 46 14.845 1.488 -20.035 Start of MODEL 10 1 H1 GLY 1 H GLY 1 0.075 -21.616 3.539 2 HA2 GLY 1 1HA GLY 1 0.582 -20.854 1.299 3 HA3 GLY 1 2HA GLY 1 -0.734 -19.699 1.450 4 H SER 2 H SER 2 2.398 -19.715 1.097 5 HA SER 2 HA SER 2 3.128 -17.891 3.245 6 HB2 SER 2 1HB SER 2 5.389 -17.971 2.206 7 HB3 SER 2 2HB SER 2 4.772 -19.570 2.621 8 HG SER 2 HG SER 2 4.309 -19.932 0.476 9 H SER 3 H SER 3 3.069 -17.869 -0.316 10 HA SER 3 HA SER 3 2.747 -14.943 -0.195 11 HB2 SER 3 1HB SER 3 4.566 -16.607 -1.886 12 HB3 SER 3 2HB SER 3 3.899 -15.125 -2.570 13 HG SER 3 HG SER 3 4.980 -14.964 -0.012 14 H GLY 4 H GLY 4 0.841 -14.326 -0.952 15 HA2 GLY 4 1HA GLY 4 -0.749 -14.100 -2.700 16 HA3 GLY 4 2HA GLY 4 -0.259 -15.672 -3.314 17 H SER 5 H SER 5 -2.593 -13.999 -1.593 18 HA SER 5 HA SER 5 -3.527 -16.332 -0.109 19 HB2 SER 5 1HB SER 5 -3.602 -14.227 1.085 20 HB3 SER 5 2HB SER 5 -4.530 -13.478 -0.214 21 HG SER 5 HG SER 5 -5.415 -14.893 1.881 22 H SER 6 H SER 6 -5.006 -13.954 -2.323 23 HA SER 6 HA SER 6 -6.680 -16.138 -3.382 24 HB2 SER 6 1HB SER 6 -7.386 -13.354 -2.567 25 HB3 SER 6 2HB SER 6 -8.238 -14.058 -3.941 26 HG SER 6 HG SER 6 -8.818 -14.416 -1.450 27 H GLY 7 H GLY 7 -5.543 -16.632 -5.202 28 HA2 GLY 7 1HA GLY 7 -4.839 -14.431 -7.023 29 HA3 GLY 7 2HA GLY 7 -4.160 -16.051 -7.072 30 H GLU 8 H GLU 8 -6.862 -14.036 -7.955 31 HA GLU 8 HA GLU 8 -8.123 -16.255 -9.391 32 HB2 GLU 8 1HB GLU 8 -10.013 -14.720 -9.710 33 HB3 GLU 8 2HB GLU 8 -9.595 -14.887 -8.011 34 HG2 GLU 8 1HG GLU 8 -9.895 -12.632 -8.153 35 HG3 GLU 8 2HG GLU 8 -8.163 -12.747 -8.463 36 H GLY 9 H GLY 9 -5.633 -15.309 -10.361 37 HA2 GLY 9 1HA GLY 9 -4.862 -15.117 -12.565 38 HA3 GLY 9 2HA GLY 9 -6.460 -14.571 -13.053 39 H GLU 10 H GLU 10 -6.407 -12.576 -13.820 40 HA GLU 10 HA GLU 10 -4.411 -10.701 -12.772 41 HB2 GLU 10 1HB GLU 10 -4.837 -9.383 -14.783 42 HB3 GLU 10 2HB GLU 10 -4.428 -11.042 -15.200 43 HG2 GLU 10 1HG GLU 10 -6.187 -10.605 -16.612 44 HG3 GLU 10 2HG GLU 10 -6.990 -11.400 -15.259 45 H LYS 11 H LYS 11 -4.958 -8.963 -11.609 46 HA LYS 11 HA LYS 11 -7.808 -8.517 -11.086 47 HB2 LYS 11 1HB LYS 11 -5.315 -7.736 -9.576 48 HB3 LYS 11 2HB LYS 11 -6.913 -7.134 -9.155 49 HG2 LYS 11 1HG LYS 11 -7.631 -9.540 -8.932 50 HG3 LYS 11 2HG LYS 11 -5.923 -9.969 -9.063 51 HD2 LYS 11 1HD LYS 11 -5.622 -8.223 -7.153 52 HD3 LYS 11 2HD LYS 11 -7.349 -8.484 -6.891 53 HE2 LYS 11 1HE LYS 11 -6.338 -10.021 -5.463 54 HE3 LYS 11 2HE LYS 11 -6.756 -10.985 -6.878 55 HZ1 LYS 11 3HZ LYS 11 -4.081 -9.883 -6.212 56 HZ2 LYS 11 1HZ LYS 11 -4.453 -10.673 -7.661 57 HZ3 LYS 11 2HZ LYS 11 -4.539 -11.511 -6.195 58 HA PRO 12 HA PRO 12 -7.848 -4.753 -13.368 59 HB2 PRO 12 1HB PRO 12 -9.917 -3.513 -12.122 60 HB3 PRO 12 2HB PRO 12 -10.139 -4.870 -13.233 61 HG2 PRO 12 1HG PRO 12 -10.094 -4.859 -10.239 62 HG3 PRO 12 2HG PRO 12 -11.187 -5.720 -11.339 63 HD2 PRO 12 1HD PRO 12 -9.091 -6.931 -10.125 64 HD3 PRO 12 2HD PRO 12 -9.664 -7.403 -11.738 65 H TYR 13 H TYR 13 -7.383 -4.838 -9.940 66 HA TYR 13 HA TYR 13 -6.078 -2.209 -10.078 67 HB2 TYR 13 1HB TYR 13 -7.813 -3.152 -7.787 68 HB3 TYR 13 2HB TYR 13 -6.944 -1.624 -7.870 69 HD1 TYR 13 HD2 TYR 13 -7.605 0.029 -9.691 70 HD2 TYR 13 HD1 TYR 13 -9.981 -3.348 -8.663 71 HE1 TYR 13 HE2 TYR 13 -9.556 1.085 -10.753 72 HE2 TYR 13 HE1 TYR 13 -11.938 -2.301 -9.723 73 HH TYR 13 HH TYR 13 -12.321 0.711 -10.309 74 H GLN 14 H GLN 14 -4.176 -3.577 -10.342 75 HA GLN 14 HA GLN 14 -3.199 -4.560 -7.745 76 HB2 GLN 14 1HB GLN 14 -3.579 -6.524 -9.027 77 HB3 GLN 14 2HB GLN 14 -2.874 -5.806 -10.469 78 HG2 GLN 14 1HG GLN 14 -1.169 -6.121 -8.055 79 HG3 GLN 14 2HG GLN 14 -1.552 -7.546 -9.020 80 HE21 GLN 14 1HE2 GLN 14 1.024 -6.806 -8.794 81 HE22 GLN 14 2HE2 GLN 14 1.601 -6.144 -10.281 82 H CYS 15 H CYS 15 -1.575 -3.349 -7.059 83 HA CYS 15 HA CYS 15 -0.207 -1.496 -8.709 84 HB2 CYS 15 1HB CYS 15 -0.507 -1.062 -6.339 85 HB3 CYS 15 2HB CYS 15 0.422 -2.499 -5.926 86 H SER 16 H SER 16 1.218 -2.040 -10.216 87 HA SER 16 HA SER 16 2.640 -4.518 -10.185 88 HB2 SER 16 1HB SER 16 1.873 -3.194 -12.242 89 HB3 SER 16 2HB SER 16 3.276 -2.164 -11.961 90 HG SER 16 HG SER 16 3.509 -4.058 -13.431 91 H GLU 17 H GLU 17 3.463 -1.157 -9.503 92 HA GLU 17 HA GLU 17 6.139 -1.065 -9.412 93 HB2 GLU 17 1HB GLU 17 4.380 -0.138 -7.134 94 HB3 GLU 17 2HB GLU 17 5.997 0.447 -7.498 95 HG2 GLU 17 1HG GLU 17 3.532 0.790 -9.188 96 HG3 GLU 17 2HG GLU 17 4.369 2.037 -8.265 97 H CYS 18 H CYS 18 4.190 -2.380 -6.731 98 HA CYS 18 HA CYS 18 6.583 -3.847 -5.835 99 HB2 CYS 18 1HB CYS 18 5.557 -3.880 -3.597 100 HB3 CYS 18 2HB CYS 18 5.793 -2.235 -4.179 101 H GLY 19 H GLY 19 3.045 -4.071 -6.123 102 HA2 GLY 19 1HA GLY 19 2.186 -6.075 -7.272 103 HA3 GLY 19 2HA GLY 19 3.368 -7.000 -6.357 104 H LYS 20 H LYS 20 0.631 -4.782 -5.836 105 HA LYS 20 HA LYS 20 -0.250 -6.553 -3.655 106 HB2 LYS 20 1HB LYS 20 0.110 -3.589 -3.662 107 HB3 LYS 20 2HB LYS 20 -1.220 -4.268 -2.732 108 HG2 LYS 20 1HG LYS 20 1.494 -5.426 -2.374 109 HG3 LYS 20 2HG LYS 20 1.138 -3.855 -1.652 110 HD2 LYS 20 1HD LYS 20 -0.990 -5.047 -0.751 111 HD3 LYS 20 2HD LYS 20 -0.085 -6.527 -1.081 112 HE2 LYS 20 1HE LYS 20 1.674 -5.858 0.394 113 HE3 LYS 20 2HE LYS 20 0.977 -4.250 0.584 114 HZ1 LYS 20 3HZ LYS 20 -1.013 -5.992 1.322 115 HZ2 LYS 20 1HZ LYS 20 -0.060 -5.051 2.356 116 HZ3 LYS 20 2HZ LYS 20 0.391 -6.643 2.006 117 H SER 21 H SER 21 -2.601 -6.174 -3.099 118 HA SER 21 HA SER 21 -4.183 -5.325 -5.416 119 HB2 SER 21 1HB SER 21 -4.077 -7.666 -5.784 120 HB3 SER 21 2HB SER 21 -4.294 -8.024 -4.071 121 HG SER 21 HG SER 21 -6.363 -7.978 -4.376 122 H PHE 22 H PHE 22 -6.037 -4.292 -4.910 123 HA PHE 22 HA PHE 22 -7.029 -4.440 -2.156 124 HB2 PHE 22 1HB PHE 22 -6.492 -1.866 -3.653 125 HB3 PHE 22 2HB PHE 22 -7.292 -1.985 -2.089 126 HD1 PHE 22 HD2 PHE 22 -5.999 -2.844 -0.124 127 HD2 PHE 22 HD1 PHE 22 -4.152 -1.852 -3.828 128 HE1 PHE 22 HE2 PHE 22 -3.816 -2.715 1.003 129 HE2 PHE 22 HE1 PHE 22 -1.965 -1.722 -2.707 130 HZ PHE 22 HZ PHE 22 -1.795 -2.153 -0.288 131 H SER 23 H SER 23 -9.174 -3.130 -2.020 132 HA SER 23 HA SER 23 -10.783 -3.888 -4.365 133 HB2 SER 23 1HB SER 23 -12.691 -4.030 -2.824 134 HB3 SER 23 2HB SER 23 -11.372 -5.069 -2.286 135 HG SER 23 HG SER 23 -12.364 -2.714 -1.164 136 H GLY 24 H GLY 24 -10.307 -1.899 -5.447 137 HA2 GLY 24 1HA GLY 24 -11.913 -0.009 -5.919 138 HA3 GLY 24 2HA GLY 24 -11.632 0.452 -4.246 139 H SER 25 H SER 25 -11.132 1.866 -6.827 140 HA SER 25 HA SER 25 -8.327 1.992 -7.248 141 HB2 SER 25 1HB SER 25 -9.008 4.259 -8.348 142 HB3 SER 25 2HB SER 25 -9.565 2.752 -9.073 143 HG SER 25 HG SER 25 -11.154 3.999 -7.130 144 H TYR 26 H TYR 26 -10.345 3.229 -4.819 145 HA TYR 26 HA TYR 26 -8.824 5.569 -4.179 146 HB2 TYR 26 1HB TYR 26 -11.117 5.553 -3.516 147 HB3 TYR 26 2HB TYR 26 -10.933 4.016 -2.679 148 HD1 TYR 26 HD1 TYR 26 -9.964 7.594 -2.571 149 HD2 TYR 26 HD2 TYR 26 -10.290 3.942 -0.412 150 HE1 TYR 26 HE1 TYR 26 -9.501 8.798 -0.477 151 HE2 TYR 26 HE2 TYR 26 -9.829 5.136 1.688 152 HH TYR 26 HH TYR 26 -10.167 7.715 2.452 153 H ARG 27 H ARG 27 -8.964 2.250 -2.970 154 HA ARG 27 HA ARG 27 -7.099 2.662 -0.857 155 HB2 ARG 27 1HB ARG 27 -8.837 0.775 -1.131 156 HB3 ARG 27 2HB ARG 27 -7.637 0.007 -2.161 157 HG2 ARG 27 1HG ARG 27 -7.278 -0.952 -0.079 158 HG3 ARG 27 2HG ARG 27 -6.036 0.297 -0.180 159 HD2 ARG 27 1HD ARG 27 -8.698 0.853 1.082 160 HD3 ARG 27 2HD ARG 27 -7.402 0.082 1.995 161 HE ARG 27 HE ARG 27 -6.173 2.247 0.997 162 HH11 ARG 27 1HH1 ARG 27 -9.209 1.850 2.655 163 HH12 ARG 27 2HH1 ARG 27 -9.170 3.426 3.376 164 HH21 ARG 27 1HH2 ARG 27 -6.110 4.323 1.940 165 HH22 ARG 27 2HH2 ARG 27 -7.407 4.831 2.968 166 H LEU 28 H LEU 28 -6.840 1.321 -4.132 167 HA LEU 28 HA LEU 28 -4.152 0.571 -4.036 168 HB2 LEU 28 1HB LEU 28 -5.733 -0.062 -5.817 169 HB3 LEU 28 2HB LEU 28 -5.701 1.597 -6.410 170 HG LEU 28 HG LEU 28 -3.094 1.072 -6.563 171 HD11 LEU 28 1HD1 LEU 28 -3.921 -1.552 -7.530 172 HD12 LEU 28 2HD1 LEU 28 -4.013 -1.384 -5.777 173 HD13 LEU 28 3HD1 LEU 28 -2.491 -1.077 -6.613 174 HD21 LEU 28 3HD2 LEU 28 -4.602 -0.129 -8.787 175 HD22 LEU 28 1HD2 LEU 28 -3.422 1.181 -8.788 176 HD23 LEU 28 2HD2 LEU 28 -5.094 1.501 -8.326 177 H THR 29 H THR 29 -5.475 3.502 -5.587 178 HA THR 29 HA THR 29 -3.180 4.832 -6.174 179 HB THR 29 HB THR 29 -4.470 6.980 -5.654 180 HG1 THR 29 HG1 THR 29 -6.857 6.263 -5.479 181 HG21 THR 29 3HG2 THR 29 -4.754 5.056 -7.707 182 HG22 THR 29 1HG2 THR 29 -5.067 6.788 -7.791 183 HG23 THR 29 2HG2 THR 29 -6.365 5.678 -7.350 184 H GLN 30 H GLN 30 -4.963 5.316 -3.117 185 HA GLN 30 HA GLN 30 -3.167 6.928 -1.815 186 HB2 GLN 30 1HB GLN 30 -4.897 4.740 -0.656 187 HB3 GLN 30 2HB GLN 30 -4.072 5.959 0.306 188 HG2 GLN 30 1HG GLN 30 -6.064 6.613 -1.848 189 HG3 GLN 30 2HG GLN 30 -6.491 6.401 -0.150 190 HE21 GLN 30 1HE2 GLN 30 -6.962 8.359 0.574 191 HE22 GLN 30 2HE2 GLN 30 -5.965 9.760 0.411 192 H HIS 31 H HIS 31 -2.975 3.488 -2.373 193 HA HIS 31 HA HIS 31 -0.754 3.113 -0.564 194 HB2 HIS 31 1HB HIS 31 -1.962 1.156 -0.682 195 HB3 HIS 31 2HB HIS 31 -2.346 1.370 -2.387 196 HD1 HIS 31 HD1 HIS 31 -0.126 -0.436 -0.150 197 HD2 HIS 31 HD2 HIS 31 -0.060 0.766 -4.127 198 HE1 HIS 31 HE1 HIS 31 1.654 -1.834 -1.246 199 H TRP 32 H TRP 32 -1.228 3.922 -3.882 200 HA TRP 32 HA TRP 32 1.298 3.078 -4.871 201 HB2 TRP 32 1HB TRP 32 -0.909 4.823 -5.848 202 HB3 TRP 32 2HB TRP 32 0.670 5.006 -6.607 203 HD1 TRP 32 HD1 TRP 32 -1.198 1.769 -5.542 204 HE1 TRP 32 HE1 TRP 32 -1.317 0.219 -7.593 205 HE3 TRP 32 HE3 TRP 32 1.016 4.820 -8.994 206 HZ2 TRP 32 HZ2 TRP 32 -0.571 0.281 -10.315 207 HZ3 TRP 32 HZ3 TRP 32 1.276 4.000 -11.299 208 HH2 TRP 32 HH2 TRP 32 0.499 1.777 -11.944 209 H ILE 33 H ILE 33 0.065 6.258 -3.847 210 HA ILE 33 HA ILE 33 2.131 7.916 -4.298 211 HB ILE 33 HB ILE 33 0.527 7.722 -1.750 212 HG12 ILE 33 1HG1 ILE 33 -0.379 9.919 -2.960 213 HG13 ILE 33 2HG1 ILE 33 0.194 9.066 -4.390 214 HG21 ILE 33 1HG2 ILE 33 1.223 10.122 -1.439 215 HG22 ILE 33 2HG2 ILE 33 2.486 8.922 -1.166 216 HG23 ILE 33 3HG2 ILE 33 2.454 9.842 -2.671 217 HD11 ILE 33 3HD1 ILE 33 -2.250 8.757 -3.076 218 HD12 ILE 33 1HD1 ILE 33 -1.607 7.787 -4.402 219 HD13 ILE 33 2HD1 ILE 33 -1.328 7.294 -2.731 220 H THR 34 H THR 34 2.058 5.374 -1.882 221 HA THR 34 HA THR 34 4.173 5.983 -0.261 222 HB THR 34 HB THR 34 4.507 3.618 0.113 223 HG1 THR 34 HG1 THR 34 4.010 2.136 -1.358 224 HG21 THR 34 3HG2 THR 34 1.843 3.019 -0.028 225 HG22 THR 34 1HG2 THR 34 1.822 4.782 -0.057 226 HG23 THR 34 2HG2 THR 34 2.606 3.930 1.274 227 H HIS 35 H HIS 35 4.335 4.428 -3.451 228 HA HIS 35 HA HIS 35 7.172 4.194 -3.455 229 HB2 HIS 35 1HB HIS 35 5.430 4.274 -5.913 230 HB3 HIS 35 2HB HIS 35 6.960 3.432 -5.691 231 HD1 HIS 35 HD1 HIS 35 6.826 1.381 -3.885 232 HD2 HIS 35 HD2 HIS 35 3.244 2.719 -5.511 233 HE1 HIS 35 HE1 HIS 35 5.169 -0.466 -3.475 234 H THR 36 H THR 36 4.896 6.582 -4.698 235 HA THR 36 HA THR 36 6.588 8.119 -6.263 236 HB THR 36 HB THR 36 4.390 9.201 -4.492 237 HG1 THR 36 HG1 THR 36 3.563 7.541 -5.780 238 HG21 THR 36 3HG2 THR 36 4.281 10.665 -6.734 239 HG22 THR 36 1HG2 THR 36 6.004 10.293 -6.723 240 HG23 THR 36 2HG2 THR 36 5.271 11.116 -5.346 241 H ARG 37 H ARG 37 5.922 8.433 -2.781 242 HA ARG 37 HA ARG 37 7.741 10.588 -2.400 243 HB2 ARG 37 1HB ARG 37 7.376 10.228 -0.020 244 HB3 ARG 37 2HB ARG 37 5.847 10.167 -0.887 245 HG2 ARG 37 1HG ARG 37 5.759 7.793 -0.720 246 HG3 ARG 37 2HG ARG 37 7.406 7.722 -0.091 247 HD2 ARG 37 1HD ARG 37 5.769 7.442 1.696 248 HD3 ARG 37 2HD ARG 37 6.700 8.923 1.912 249 HE ARG 37 HE ARG 37 4.541 9.822 0.613 250 HH11 ARG 37 1HH1 ARG 37 4.869 7.716 3.366 251 HH12 ARG 37 2HH1 ARG 37 3.365 8.199 4.079 252 HH21 ARG 37 1HH2 ARG 37 2.560 10.467 1.542 253 HH22 ARG 37 2HH2 ARG 37 2.053 9.763 3.040 254 H GLU 38 H GLU 38 9.811 10.597 -1.559 255 HA GLU 38 HA GLU 38 11.140 7.984 -1.309 256 HB2 GLU 38 1HB GLU 38 11.645 9.064 -3.501 257 HB3 GLU 38 2HB GLU 38 12.338 10.424 -2.628 258 HG2 GLU 38 1HG GLU 38 14.161 9.204 -1.905 259 HG3 GLU 38 2HG GLU 38 13.346 7.658 -2.134 260 H LYS 39 H LYS 39 11.419 7.908 0.852 261 HA LYS 39 HA LYS 39 13.246 9.837 2.028 262 HB2 LYS 39 1HB LYS 39 11.788 10.145 4.027 263 HB3 LYS 39 2HB LYS 39 11.141 10.871 2.562 264 HG2 LYS 39 1HG LYS 39 9.520 9.177 2.318 265 HG3 LYS 39 2HG LYS 39 10.305 8.150 3.520 266 HD2 LYS 39 1HD LYS 39 8.564 9.032 4.745 267 HD3 LYS 39 2HD LYS 39 9.857 10.177 5.112 268 HE2 LYS 39 1HE LYS 39 8.017 10.660 2.802 269 HE3 LYS 39 2HE LYS 39 7.508 11.061 4.441 270 HZ1 LYS 39 3HZ LYS 39 9.775 12.279 4.516 271 HZ2 LYS 39 1HZ LYS 39 8.463 13.011 3.736 272 HZ3 LYS 39 2HZ LYS 39 9.665 12.242 2.829 273 HA PRO 40 HA PRO 40 14.799 6.179 3.921 274 HB2 PRO 40 1HB PRO 40 16.200 7.305 5.955 275 HB3 PRO 40 2HB PRO 40 16.737 7.363 4.272 276 HG2 PRO 40 1HG PRO 40 15.323 9.453 5.882 277 HG3 PRO 40 2HG PRO 40 16.682 9.636 4.758 278 HD2 PRO 40 1HD PRO 40 14.130 10.220 4.065 279 HD3 PRO 40 2HD PRO 40 15.316 9.595 2.902 280 H SER 41 H SER 41 12.870 5.242 4.692 281 HA SER 41 HA SER 41 12.620 5.251 7.556 282 HB2 SER 41 1HB SER 41 11.220 7.186 7.031 283 HB3 SER 41 2HB SER 41 10.304 6.229 5.867 284 HG SER 41 HG SER 41 10.077 4.820 7.949 285 H GLY 42 H GLY 42 12.606 3.137 7.936 286 HA2 GLY 42 1HA GLY 42 12.098 0.903 7.792 287 HA3 GLY 42 2HA GLY 42 10.517 1.436 7.241 288 HA PRO 43 HA PRO 43 12.369 -1.007 3.804 289 HB2 PRO 43 1HB PRO 43 10.042 -2.234 3.133 290 HB3 PRO 43 2HB PRO 43 11.118 -2.840 4.399 291 HG2 PRO 43 1HG PRO 43 8.618 -1.213 4.656 292 HG3 PRO 43 2HG PRO 43 9.151 -2.605 5.617 293 HD2 PRO 43 1HD PRO 43 9.415 -0.052 6.480 294 HD3 PRO 43 2HD PRO 43 10.571 -1.330 6.908 295 H SER 44 H SER 44 12.519 -0.190 1.810 296 HA SER 44 HA SER 44 10.214 1.146 0.607 297 HB2 SER 44 1HB SER 44 11.812 2.800 1.812 298 HB3 SER 44 2HB SER 44 12.907 2.480 0.467 299 HG SER 44 HG SER 44 10.265 3.096 -0.160 300 H SER 45 H SER 45 10.200 1.140 -1.641 301 HA SER 45 HA SER 45 12.400 -0.305 -2.955 302 HB2 SER 45 1HB SER 45 10.272 -1.696 -2.466 303 HB3 SER 45 2HB SER 45 9.531 -0.744 -3.751 304 HG SER 45 HG SER 45 12.012 -1.887 -4.285 305 H GLY 46 H GLY 46 12.409 -0.024 -5.337 306 HA2 GLY 46 1HA GLY 46 11.082 2.436 -6.239 307 HA3 GLY 46 2HA GLY 46 12.834 2.338 -6.341 Start of MODEL 11 1 H1 GLY 1 H GLY 1 6.534 -28.161 -26.897 2 HA2 GLY 1 1HA GLY 1 8.960 -26.610 -26.606 3 HA3 GLY 1 2HA GLY 1 7.516 -25.647 -26.883 4 H SER 2 H SER 2 8.507 -24.943 -24.666 5 HA SER 2 HA SER 2 7.999 -26.599 -22.411 6 HB2 SER 2 1HB SER 2 8.402 -23.605 -22.606 7 HB3 SER 2 2HB SER 2 8.370 -24.518 -21.098 8 HG SER 2 HG SER 2 10.501 -24.070 -22.111 9 H SER 3 H SER 3 6.408 -26.276 -20.762 10 HA SER 3 HA SER 3 3.997 -24.828 -21.595 11 HB2 SER 3 1HB SER 3 3.685 -27.184 -22.247 12 HB3 SER 3 2HB SER 3 4.015 -27.685 -20.588 13 HG SER 3 HG SER 3 1.868 -27.551 -20.598 14 H GLY 4 H GLY 4 2.436 -24.546 -19.797 15 HA2 GLY 4 1HA GLY 4 3.698 -24.679 -17.142 16 HA3 GLY 4 2HA GLY 4 3.072 -23.144 -17.724 17 H SER 5 H SER 5 1.606 -23.019 -15.993 18 HA SER 5 HA SER 5 -0.678 -24.867 -16.228 19 HB2 SER 5 1HB SER 5 -1.072 -24.428 -13.778 20 HB3 SER 5 2HB SER 5 0.399 -25.334 -14.131 21 HG SER 5 HG SER 5 0.284 -22.532 -13.687 22 H SER 6 H SER 6 -2.724 -23.878 -15.286 23 HA SER 6 HA SER 6 -2.852 -20.980 -15.710 24 HB2 SER 6 1HB SER 6 -3.494 -21.940 -17.848 25 HB3 SER 6 2HB SER 6 -4.647 -23.014 -17.056 26 HG SER 6 HG SER 6 -6.035 -21.435 -16.960 27 H GLY 7 H GLY 7 -4.627 -19.941 -14.696 28 HA2 GLY 7 1HA GLY 7 -6.758 -21.045 -13.377 29 HA3 GLY 7 2HA GLY 7 -5.423 -21.197 -12.244 30 H GLU 8 H GLU 8 -4.322 -19.234 -11.576 31 HA GLU 8 HA GLU 8 -5.861 -17.301 -10.515 32 HB2 GLU 8 1HB GLU 8 -3.922 -15.870 -10.382 33 HB3 GLU 8 2HB GLU 8 -3.419 -17.537 -10.147 34 HG2 GLU 8 1HG GLU 8 -2.380 -17.652 -12.215 35 HG3 GLU 8 2HG GLU 8 -3.279 -16.277 -12.853 36 H GLY 9 H GLY 9 -6.810 -15.390 -11.087 37 HA2 GLY 9 1HA GLY 9 -6.958 -14.868 -13.982 38 HA3 GLY 9 2HA GLY 9 -8.187 -14.423 -12.807 39 H GLU 10 H GLU 10 -7.888 -12.358 -14.097 40 HA GLU 10 HA GLU 10 -5.555 -10.809 -13.269 41 HB2 GLU 10 1HB GLU 10 -7.701 -10.441 -15.326 42 HB3 GLU 10 2HB GLU 10 -6.786 -9.048 -14.767 43 HG2 GLU 10 1HG GLU 10 -5.733 -9.824 -16.732 44 HG3 GLU 10 2HG GLU 10 -4.699 -10.286 -15.382 45 H LYS 11 H LYS 11 -5.628 -9.075 -11.920 46 HA LYS 11 HA LYS 11 -8.052 -8.777 -10.329 47 HB2 LYS 11 1HB LYS 11 -5.208 -7.850 -9.970 48 HB3 LYS 11 2HB LYS 11 -6.510 -7.287 -8.930 49 HG2 LYS 11 1HG LYS 11 -5.665 -9.037 -7.711 50 HG3 LYS 11 2HG LYS 11 -6.974 -9.825 -8.595 51 HD2 LYS 11 1HD LYS 11 -5.165 -10.356 -10.356 52 HD3 LYS 11 2HD LYS 11 -4.016 -9.972 -9.072 53 HE2 LYS 11 1HE LYS 11 -5.247 -11.642 -7.638 54 HE3 LYS 11 2HE LYS 11 -6.118 -12.127 -9.092 55 HZ1 LYS 11 3HZ LYS 11 -3.987 -13.387 -8.399 56 HZ2 LYS 11 1HZ LYS 11 -3.177 -12.080 -9.104 57 HZ3 LYS 11 2HZ LYS 11 -4.235 -13.018 -10.031 58 HA PRO 12 HA PRO 12 -9.323 -5.019 -12.229 59 HB2 PRO 12 1HB PRO 12 -10.702 -3.917 -10.166 60 HB3 PRO 12 2HB PRO 12 -11.307 -5.290 -11.102 61 HG2 PRO 12 1HG PRO 12 -9.946 -5.267 -8.435 62 HG3 PRO 12 2HG PRO 12 -11.357 -6.203 -8.964 63 HD2 PRO 12 1HD PRO 12 -8.870 -7.266 -8.831 64 HD3 PRO 12 2HD PRO 12 -10.065 -7.780 -10.039 65 H TYR 13 H TYR 13 -7.393 -5.060 -9.356 66 HA TYR 13 HA TYR 13 -6.129 -2.579 -10.113 67 HB2 TYR 13 1HB TYR 13 -7.425 -2.773 -7.388 68 HB3 TYR 13 2HB TYR 13 -6.513 -1.410 -8.027 69 HD1 TYR 13 HD1 TYR 13 -9.683 -3.268 -8.233 70 HD2 TYR 13 HD2 TYR 13 -7.523 0.155 -9.545 71 HE1 TYR 13 HE1 TYR 13 -11.765 -2.300 -9.115 72 HE2 TYR 13 HE2 TYR 13 -9.599 1.133 -10.430 73 HH TYR 13 HH TYR 13 -12.574 0.199 -9.596 74 H GLN 14 H GLN 14 -4.101 -3.312 -10.140 75 HA GLN 14 HA GLN 14 -3.037 -4.495 -7.675 76 HB2 GLN 14 1HB GLN 14 -3.412 -6.365 -9.165 77 HB3 GLN 14 2HB GLN 14 -2.581 -5.536 -10.474 78 HG2 GLN 14 1HG GLN 14 -0.545 -5.541 -8.915 79 HG3 GLN 14 2HG GLN 14 -1.432 -6.755 -7.996 80 HE21 GLN 14 1HE2 GLN 14 0.955 -7.426 -9.040 81 HE22 GLN 14 2HE2 GLN 14 0.756 -8.511 -10.370 82 H CYS 15 H CYS 15 -1.191 -3.591 -7.014 83 HA CYS 15 HA CYS 15 -0.031 -1.473 -8.603 84 HB2 CYS 15 1HB CYS 15 -0.373 -1.134 -6.204 85 HB3 CYS 15 2HB CYS 15 0.680 -2.500 -5.847 86 H SER 16 H SER 16 1.441 -1.910 -10.098 87 HA SER 16 HA SER 16 2.935 -4.342 -10.139 88 HB2 SER 16 1HB SER 16 2.154 -2.773 -12.109 89 HB3 SER 16 2HB SER 16 3.704 -1.984 -11.816 90 HG SER 16 HG SER 16 3.240 -4.696 -12.500 91 H GLU 17 H GLU 17 3.723 -0.958 -9.448 92 HA GLU 17 HA GLU 17 6.383 -0.858 -9.260 93 HB2 GLU 17 1HB GLU 17 4.280 0.196 -7.412 94 HB3 GLU 17 2HB GLU 17 5.974 0.405 -6.989 95 HG2 GLU 17 1HG GLU 17 4.886 2.316 -8.212 96 HG3 GLU 17 2HG GLU 17 6.399 1.718 -8.890 97 H CYS 18 H CYS 18 4.308 -2.430 -6.852 98 HA CYS 18 HA CYS 18 6.706 -3.783 -5.798 99 HB2 CYS 18 1HB CYS 18 5.520 -3.912 -3.617 100 HB3 CYS 18 2HB CYS 18 5.851 -2.258 -4.122 101 H GLY 19 H GLY 19 3.183 -4.074 -6.215 102 HA2 GLY 19 1HA GLY 19 2.397 -6.056 -7.447 103 HA3 GLY 19 2HA GLY 19 3.584 -6.984 -6.544 104 H LYS 20 H LYS 20 1.064 -4.621 -5.658 105 HA LYS 20 HA LYS 20 0.033 -6.609 -3.742 106 HB2 LYS 20 1HB LYS 20 1.203 -4.465 -2.856 107 HB3 LYS 20 2HB LYS 20 -0.274 -3.647 -3.350 108 HG2 LYS 20 1HG LYS 20 -1.572 -5.125 -1.892 109 HG3 LYS 20 2HG LYS 20 -0.081 -5.922 -1.385 110 HD2 LYS 20 1HD LYS 20 0.625 -3.430 -0.828 111 HD3 LYS 20 2HD LYS 20 -1.123 -3.220 -0.710 112 HE2 LYS 20 1HE LYS 20 0.213 -5.501 0.688 113 HE3 LYS 20 2HE LYS 20 0.252 -3.887 1.398 114 HZ1 LYS 20 3HZ LYS 20 -1.963 -5.736 1.130 115 HZ2 LYS 20 1HZ LYS 20 -2.334 -4.120 0.793 116 HZ3 LYS 20 2HZ LYS 20 -1.682 -4.543 2.295 117 H SER 21 H SER 21 -2.064 -7.122 -3.882 118 HA SER 21 HA SER 21 -3.660 -5.787 -5.930 119 HB2 SER 21 1HB SER 21 -3.499 -8.254 -5.967 120 HB3 SER 21 2HB SER 21 -4.235 -8.316 -4.366 121 HG SER 21 HG SER 21 -5.559 -6.951 -6.425 122 H PHE 22 H PHE 22 -5.461 -4.623 -5.531 123 HA PHE 22 HA PHE 22 -6.364 -4.422 -2.735 124 HB2 PHE 22 1HB PHE 22 -6.272 -2.138 -4.713 125 HB3 PHE 22 2HB PHE 22 -6.711 -2.047 -3.011 126 HD1 PHE 22 HD1 PHE 22 -3.888 -2.919 -5.264 127 HD2 PHE 22 HD2 PHE 22 -5.101 -1.555 -1.419 128 HE1 PHE 22 HE1 PHE 22 -1.540 -2.459 -4.689 129 HE2 PHE 22 HE2 PHE 22 -2.756 -1.093 -0.838 130 HZ PHE 22 HZ PHE 22 -0.971 -1.544 -2.475 131 H SER 23 H SER 23 -8.591 -3.305 -2.645 132 HA SER 23 HA SER 23 -10.273 -4.318 -4.842 133 HB2 SER 23 1HB SER 23 -10.336 -5.675 -2.674 134 HB3 SER 23 2HB SER 23 -11.140 -4.282 -1.951 135 HG SER 23 HG SER 23 -12.115 -6.166 -3.685 136 H GLY 24 H GLY 24 -9.352 -1.726 -4.849 137 HA2 GLY 24 1HA GLY 24 -11.773 -0.258 -4.996 138 HA3 GLY 24 2HA GLY 24 -10.885 0.198 -3.550 139 H SER 25 H SER 25 -11.331 0.829 -6.796 140 HA SER 25 HA SER 25 -8.969 1.454 -7.943 141 HB2 SER 25 1HB SER 25 -10.131 3.438 -8.984 142 HB3 SER 25 2HB SER 25 -11.010 1.915 -9.115 143 HG SER 25 HG SER 25 -12.563 3.114 -8.314 144 H TYR 26 H TYR 26 -10.736 3.742 -5.850 145 HA TYR 26 HA TYR 26 -8.752 5.690 -5.721 146 HB2 TYR 26 1HB TYR 26 -11.230 5.674 -4.860 147 HB3 TYR 26 2HB TYR 26 -10.499 5.149 -3.348 148 HD1 TYR 26 HD2 TYR 26 -8.554 6.625 -2.445 149 HD2 TYR 26 HD1 TYR 26 -11.389 7.942 -5.332 150 HE1 TYR 26 HE2 TYR 26 -8.034 8.962 -1.881 151 HE2 TYR 26 HE1 TYR 26 -10.876 10.283 -4.776 152 HH TYR 26 HH TYR 26 -9.923 11.503 -2.646 153 H ARG 27 H ARG 27 -9.431 3.064 -3.410 154 HA ARG 27 HA ARG 27 -7.555 3.476 -1.503 155 HB2 ARG 27 1HB ARG 27 -9.208 1.475 -1.920 156 HB3 ARG 27 2HB ARG 27 -7.787 0.709 -2.615 157 HG2 ARG 27 1HG ARG 27 -7.697 -0.024 -0.443 158 HG3 ARG 27 2HG ARG 27 -6.653 1.398 -0.378 159 HD2 ARG 27 1HD ARG 27 -8.309 2.699 0.662 160 HD3 ARG 27 2HD ARG 27 -9.585 1.556 0.248 161 HE ARG 27 HE ARG 27 -9.026 0.299 2.090 162 HH11 ARG 27 1HH1 ARG 27 -6.564 2.690 1.507 163 HH12 ARG 27 2HH1 ARG 27 -5.753 2.411 3.012 164 HH21 ARG 27 1HH2 ARG 27 -7.967 -0.078 4.075 165 HH22 ARG 27 2HH2 ARG 27 -6.551 0.835 4.471 166 H LEU 28 H LEU 28 -6.943 1.645 -4.503 167 HA LEU 28 HA LEU 28 -4.320 1.021 -4.243 168 HB2 LEU 28 1HB LEU 28 -5.686 0.458 -6.194 169 HB3 LEU 28 2HB LEU 28 -5.618 2.137 -6.726 170 HG LEU 28 HG LEU 28 -3.038 1.727 -6.747 171 HD11 LEU 28 1HD1 LEU 28 -3.656 -1.034 -7.531 172 HD12 LEU 28 2HD1 LEU 28 -3.744 -0.709 -5.801 173 HD13 LEU 28 3HD1 LEU 28 -2.255 -0.375 -6.686 174 HD21 LEU 28 3HD2 LEU 28 -4.410 0.276 -8.942 175 HD22 LEU 28 1HD2 LEU 28 -3.189 1.547 -9.010 176 HD23 LEU 28 2HD2 LEU 28 -4.868 1.956 -8.657 177 H THR 29 H THR 29 -5.578 4.155 -5.347 178 HA THR 29 HA THR 29 -3.177 5.432 -5.881 179 HB THR 29 HB THR 29 -5.580 6.772 -4.632 180 HG1 THR 29 HG1 THR 29 -6.118 7.081 -6.949 181 HG21 THR 29 3HG2 THR 29 -4.817 8.757 -5.627 182 HG22 THR 29 1HG2 THR 29 -3.692 7.902 -6.681 183 HG23 THR 29 2HG2 THR 29 -3.364 8.021 -4.952 184 H GLN 30 H GLN 30 -4.951 5.247 -2.806 185 HA GLN 30 HA GLN 30 -3.337 6.864 -1.252 186 HB2 GLN 30 1HB GLN 30 -4.871 4.368 -0.531 187 HB3 GLN 30 2HB GLN 30 -4.077 5.382 0.667 188 HG2 GLN 30 1HG GLN 30 -5.447 7.296 -0.151 189 HG3 GLN 30 2HG GLN 30 -6.325 6.159 -1.173 190 HE21 GLN 30 1HE2 GLN 30 -6.826 7.863 1.385 191 HE22 GLN 30 2HE2 GLN 30 -7.714 6.775 2.391 192 H HIS 31 H HIS 31 -3.014 3.367 -1.822 193 HA HIS 31 HA HIS 31 -0.683 3.031 -0.270 194 HB2 HIS 31 1HB HIS 31 -1.717 1.015 -0.706 195 HB3 HIS 31 2HB HIS 31 -2.075 1.438 -2.378 196 HD1 HIS 31 HD1 HIS 31 0.326 -0.370 -0.292 197 HD2 HIS 31 HD2 HIS 31 0.220 1.200 -4.136 198 HE1 HIS 31 HE1 HIS 31 2.236 -1.456 -1.514 199 H TRP 32 H TRP 32 -1.088 3.338 -3.797 200 HA TRP 32 HA TRP 32 1.443 3.171 -4.707 201 HB2 TRP 32 1HB TRP 32 -0.861 4.883 -5.492 202 HB3 TRP 32 2HB TRP 32 0.707 5.262 -6.201 203 HD1 TRP 32 HD1 TRP 32 -1.030 1.835 -5.590 204 HE1 TRP 32 HE1 TRP 32 -1.004 0.536 -7.812 205 HE3 TRP 32 HE3 TRP 32 1.189 5.353 -8.561 206 HZ2 TRP 32 HZ2 TRP 32 -0.155 0.948 -10.472 207 HZ3 TRP 32 HZ3 TRP 32 1.573 4.822 -10.933 208 HH2 TRP 32 HH2 TRP 32 0.915 2.664 -11.866 209 H ILE 33 H ILE 33 0.099 5.848 -2.875 210 HA ILE 33 HA ILE 33 1.837 7.882 -3.186 211 HB ILE 33 HB ILE 33 0.867 6.826 -0.528 212 HG12 ILE 33 1HG1 ILE 33 -0.247 8.984 -2.333 213 HG13 ILE 33 2HG1 ILE 33 -0.920 7.368 -2.148 214 HG21 ILE 33 1HG2 ILE 33 2.834 8.418 -0.462 215 HG22 ILE 33 2HG2 ILE 33 1.751 9.634 -1.137 216 HG23 ILE 33 3HG2 ILE 33 1.400 8.915 0.435 217 HD11 ILE 33 3HD1 ILE 33 -2.072 9.189 -0.868 218 HD12 ILE 33 1HD1 ILE 33 -1.561 7.797 0.085 219 HD13 ILE 33 2HD1 ILE 33 -0.627 9.292 0.138 220 H THR 34 H THR 34 2.453 4.981 -1.239 221 HA THR 34 HA THR 34 4.840 5.573 -0.063 222 HB THR 34 HB THR 34 3.629 3.406 0.172 223 HG1 THR 34 HG1 THR 34 5.721 2.146 0.101 224 HG21 THR 34 3HG2 THR 34 3.301 2.994 -2.249 225 HG22 THR 34 1HG2 THR 34 4.025 1.621 -1.414 226 HG23 THR 34 2HG2 THR 34 5.030 2.680 -2.403 227 H HIS 35 H HIS 35 4.338 4.532 -3.412 228 HA HIS 35 HA HIS 35 7.140 4.559 -4.036 229 HB2 HIS 35 1HB HIS 35 4.799 4.542 -5.948 230 HB3 HIS 35 2HB HIS 35 6.458 4.071 -6.304 231 HD1 HIS 35 HD1 HIS 35 7.242 2.013 -4.469 232 HD2 HIS 35 HD2 HIS 35 3.263 2.359 -5.614 233 HE1 HIS 35 HE1 HIS 35 6.213 -0.235 -4.013 234 H THR 36 H THR 36 4.410 6.741 -4.494 235 HA THR 36 HA THR 36 5.290 8.586 -6.255 236 HB THR 36 HB THR 36 4.059 9.307 -3.589 237 HG1 THR 36 HG1 THR 36 2.134 9.258 -5.181 238 HG21 THR 36 3HG2 THR 36 3.225 11.272 -4.698 239 HG22 THR 36 1HG2 THR 36 3.887 10.736 -6.242 240 HG23 THR 36 2HG2 THR 36 4.972 11.201 -4.932 241 H ARG 37 H ARG 37 6.375 8.268 -2.906 242 HA ARG 37 HA ARG 37 8.459 10.277 -3.455 243 HB2 ARG 37 1HB ARG 37 8.611 10.425 -0.928 244 HB3 ARG 37 2HB ARG 37 7.140 11.061 -1.651 245 HG2 ARG 37 1HG ARG 37 5.837 9.336 -0.849 246 HG3 ARG 37 2HG ARG 37 7.213 8.245 -0.667 247 HD2 ARG 37 1HD ARG 37 6.649 10.685 1.015 248 HD3 ARG 37 2HD ARG 37 6.385 9.011 1.502 249 HE ARG 37 HE ARG 37 9.082 9.465 0.710 250 HH11 ARG 37 1HH1 ARG 37 6.829 9.910 3.326 251 HH12 ARG 37 2HH1 ARG 37 8.053 9.915 4.552 252 HH21 ARG 37 1HH2 ARG 37 10.703 9.470 2.315 253 HH22 ARG 37 2HH2 ARG 37 10.256 9.666 3.976 254 H GLU 38 H GLU 38 10.406 9.454 -3.794 255 HA GLU 38 HA GLU 38 11.050 6.812 -2.691 256 HB2 GLU 38 1HB GLU 38 11.987 8.362 -5.064 257 HB3 GLU 38 2HB GLU 38 13.087 7.200 -4.336 258 HG2 GLU 38 1HG GLU 38 11.552 5.407 -4.714 259 HG3 GLU 38 2HG GLU 38 10.302 6.529 -5.250 260 H LYS 39 H LYS 39 11.450 7.655 -0.565 261 HA LYS 39 HA LYS 39 14.196 8.558 -0.265 262 HB2 LYS 39 1HB LYS 39 11.805 10.156 0.583 263 HB3 LYS 39 2HB LYS 39 13.290 10.241 1.521 264 HG2 LYS 39 1HG LYS 39 14.493 10.897 -0.552 265 HG3 LYS 39 2HG LYS 39 12.936 10.953 -1.382 266 HD2 LYS 39 1HD LYS 39 12.160 12.701 0.071 267 HD3 LYS 39 2HD LYS 39 13.599 12.560 1.083 268 HE2 LYS 39 1HE LYS 39 14.992 13.436 -0.617 269 HE3 LYS 39 2HE LYS 39 13.731 13.267 -1.838 270 HZ1 LYS 39 3HZ LYS 39 14.295 15.511 -0.365 271 HZ2 LYS 39 1HZ LYS 39 12.874 14.906 0.326 272 HZ3 LYS 39 2HZ LYS 39 12.927 15.256 -1.327 273 HA PRO 40 HA PRO 40 14.161 5.869 3.204 274 HB2 PRO 40 1HB PRO 40 15.957 7.077 4.844 275 HB3 PRO 40 2HB PRO 40 16.425 6.230 3.364 276 HG2 PRO 40 1HG PRO 40 16.056 9.164 3.833 277 HG3 PRO 40 2HG PRO 40 17.338 8.326 2.939 278 HD2 PRO 40 1HD PRO 40 15.247 9.526 1.706 279 HD3 PRO 40 2HD PRO 40 16.033 8.072 1.056 280 H SER 41 H SER 41 13.446 5.622 5.355 281 HA SER 41 HA SER 41 11.249 6.858 6.219 282 HB2 SER 41 1HB SER 41 13.460 6.103 8.142 283 HB3 SER 41 2HB SER 41 11.728 6.138 8.473 284 HG SER 41 HG SER 41 13.210 4.158 7.418 285 H GLY 42 H GLY 42 10.752 8.939 6.389 286 HA2 GLY 42 1HA GLY 42 12.761 10.931 6.956 287 HA3 GLY 42 2HA GLY 42 11.057 11.225 6.641 288 HA PRO 43 HA PRO 43 12.256 11.246 11.309 289 HB2 PRO 43 1HB PRO 43 12.989 13.836 11.658 290 HB3 PRO 43 2HB PRO 43 14.146 12.552 11.288 291 HG2 PRO 43 1HG PRO 43 12.895 14.562 9.455 292 HG3 PRO 43 2HG PRO 43 14.578 14.008 9.527 293 HD2 PRO 43 1HD PRO 43 12.818 13.084 7.689 294 HD3 PRO 43 2HD PRO 43 14.126 12.081 8.346 295 H SER 44 H SER 44 9.982 11.009 11.452 296 HA SER 44 HA SER 44 8.159 13.118 10.942 297 HB2 SER 44 1HB SER 44 8.025 10.460 12.287 298 HB3 SER 44 2HB SER 44 6.731 11.612 12.613 299 HG SER 44 HG SER 44 6.905 11.763 10.099 300 H SER 45 H SER 45 8.606 15.002 11.975 301 HA SER 45 HA SER 45 9.239 15.044 14.797 302 HB2 SER 45 1HB SER 45 8.996 17.146 12.661 303 HB3 SER 45 2HB SER 45 9.096 17.599 14.362 304 HG SER 45 HG SER 45 10.969 15.766 13.428 305 H GLY 46 H GLY 46 7.974 15.945 16.431 306 HA2 GLY 46 1HA GLY 46 5.173 16.536 15.729 307 HA3 GLY 46 2HA GLY 46 5.539 15.378 17.000 Start of MODEL 12 1 H1 GLY 1 H GLY 1 14.664 -13.864 -3.713 2 HA2 GLY 1 1HA GLY 1 15.115 -16.513 -3.277 3 HA3 GLY 1 2HA GLY 1 14.194 -16.019 -1.864 4 H SER 2 H SER 2 12.762 -17.733 -2.867 5 HA SER 2 HA SER 2 10.587 -16.412 -4.188 6 HB2 SER 2 1HB SER 2 10.508 -17.826 -6.175 7 HB3 SER 2 2HB SER 2 12.041 -16.956 -6.121 8 HG SER 2 HG SER 2 11.714 -19.597 -5.148 9 H SER 3 H SER 3 8.705 -17.319 -3.606 10 HA SER 3 HA SER 3 8.641 -20.118 -2.771 11 HB2 SER 3 1HB SER 3 7.667 -17.849 -1.017 12 HB3 SER 3 2HB SER 3 7.479 -19.569 -0.673 13 HG SER 3 HG SER 3 9.901 -18.103 -0.858 14 H GLY 4 H GLY 4 6.281 -20.722 -2.182 15 HA2 GLY 4 1HA GLY 4 4.684 -20.181 -4.466 16 HA3 GLY 4 2HA GLY 4 4.181 -21.083 -3.044 17 H SER 5 H SER 5 2.631 -19.192 -4.592 18 HA SER 5 HA SER 5 1.981 -17.319 -2.425 19 HB2 SER 5 1HB SER 5 3.248 -16.101 -4.178 20 HB3 SER 5 2HB SER 5 2.033 -16.583 -5.362 21 HG SER 5 HG SER 5 1.296 -14.667 -4.727 22 H SER 6 H SER 6 -0.229 -16.525 -2.490 23 HA SER 6 HA SER 6 -2.035 -18.526 -3.658 24 HB2 SER 6 1HB SER 6 -2.513 -16.581 -1.386 25 HB3 SER 6 2HB SER 6 -3.663 -17.788 -1.962 26 HG SER 6 HG SER 6 -2.718 -18.994 -0.515 27 H GLY 7 H GLY 7 -3.721 -17.956 -4.966 28 HA2 GLY 7 1HA GLY 7 -3.616 -15.234 -6.044 29 HA3 GLY 7 2HA GLY 7 -4.376 -16.621 -6.810 30 H GLU 8 H GLU 8 -6.309 -17.515 -5.574 31 HA GLU 8 HA GLU 8 -8.446 -17.207 -4.857 32 HB2 GLU 8 1HB GLU 8 -7.073 -16.512 -2.793 33 HB3 GLU 8 2HB GLU 8 -7.464 -14.860 -3.249 34 HG2 GLU 8 1HG GLU 8 -9.019 -15.585 -1.591 35 HG3 GLU 8 2HG GLU 8 -9.866 -15.441 -3.131 36 H GLY 9 H GLY 9 -7.833 -16.032 -7.295 37 HA2 GLY 9 1HA GLY 9 -9.102 -14.743 -8.768 38 HA3 GLY 9 2HA GLY 9 -9.881 -13.978 -7.391 39 H GLU 10 H GLU 10 -8.166 -13.223 -9.962 40 HA GLU 10 HA GLU 10 -6.368 -11.329 -8.627 41 HB2 GLU 10 1HB GLU 10 -5.294 -11.053 -10.786 42 HB3 GLU 10 2HB GLU 10 -5.400 -12.762 -10.386 43 HG2 GLU 10 1HG GLU 10 -7.160 -13.110 -11.925 44 HG3 GLU 10 2HG GLU 10 -7.392 -11.378 -12.155 45 H LYS 11 H LYS 11 -6.568 -9.145 -8.842 46 HA LYS 11 HA LYS 11 -9.026 -8.194 -10.153 47 HB2 LYS 11 1HB LYS 11 -7.546 -7.312 -7.706 48 HB3 LYS 11 2HB LYS 11 -8.509 -6.139 -8.596 49 HG2 LYS 11 1HG LYS 11 -9.871 -6.995 -6.859 50 HG3 LYS 11 2HG LYS 11 -10.455 -7.700 -8.368 51 HD2 LYS 11 1HD LYS 11 -9.136 -9.738 -7.875 52 HD3 LYS 11 2HD LYS 11 -8.675 -9.030 -6.325 53 HE2 LYS 11 1HE LYS 11 -10.493 -10.474 -5.879 54 HE3 LYS 11 2HE LYS 11 -11.141 -8.835 -5.822 55 HZ1 LYS 11 3HZ LYS 11 -12.131 -9.101 -7.929 56 HZ2 LYS 11 1HZ LYS 11 -12.507 -10.508 -7.068 57 HZ3 LYS 11 2HZ LYS 11 -11.291 -10.536 -8.243 58 HA PRO 12 HA PRO 12 -6.611 -5.928 -13.052 59 HB2 PRO 12 1HB PRO 12 -8.414 -4.010 -13.716 60 HB3 PRO 12 2HB PRO 12 -8.553 -5.688 -14.256 61 HG2 PRO 12 1HG PRO 12 -9.941 -4.306 -11.992 62 HG3 PRO 12 2HG PRO 12 -10.603 -5.435 -13.188 63 HD2 PRO 12 1HD PRO 12 -9.940 -6.198 -10.677 64 HD3 PRO 12 2HD PRO 12 -9.800 -7.285 -12.073 65 H TYR 13 H TYR 13 -7.309 -4.864 -10.008 66 HA TYR 13 HA TYR 13 -6.140 -2.202 -10.436 67 HB2 TYR 13 1HB TYR 13 -7.698 -3.344 -8.113 68 HB3 TYR 13 2HB TYR 13 -6.924 -1.763 -8.085 69 HD1 TYR 13 HD1 TYR 13 -9.344 -3.747 -10.126 70 HD2 TYR 13 HD2 TYR 13 -8.156 0.090 -8.722 71 HE1 TYR 13 HE1 TYR 13 -11.346 -2.757 -11.156 72 HE2 TYR 13 HE2 TYR 13 -10.155 1.091 -9.747 73 HH TYR 13 HH TYR 13 -12.190 -0.673 -11.909 74 H GLN 14 H GLN 14 -4.377 -4.288 -10.669 75 HA GLN 14 HA GLN 14 -3.036 -4.662 -8.122 76 HB2 GLN 14 1HB GLN 14 -3.129 -6.559 -9.622 77 HB3 GLN 14 2HB GLN 14 -2.376 -5.625 -10.908 78 HG2 GLN 14 1HG GLN 14 -0.310 -5.513 -9.690 79 HG3 GLN 14 2HG GLN 14 -1.049 -6.292 -8.292 80 HE21 GLN 14 1HE2 GLN 14 1.193 -7.374 -9.250 81 HE22 GLN 14 2HE2 GLN 14 0.867 -8.852 -10.083 82 H CYS 15 H CYS 15 -1.062 -3.820 -7.551 83 HA CYS 15 HA CYS 15 -0.339 -1.335 -8.796 84 HB2 CYS 15 1HB CYS 15 -0.087 -1.239 -6.490 85 HB3 CYS 15 2HB CYS 15 0.586 -2.863 -6.393 86 H SER 16 H SER 16 0.803 -1.297 -10.613 87 HA SER 16 HA SER 16 2.660 -3.440 -11.243 88 HB2 SER 16 1HB SER 16 1.084 -2.478 -12.951 89 HB3 SER 16 2HB SER 16 2.014 -0.982 -12.884 90 HG SER 16 HG SER 16 2.507 -2.897 -14.469 91 H GLU 17 H GLU 17 3.512 -2.045 -9.037 92 HA GLU 17 HA GLU 17 5.921 -0.731 -10.084 93 HB2 GLU 17 1HB GLU 17 3.972 0.320 -8.088 94 HB3 GLU 17 2HB GLU 17 5.678 0.661 -7.836 95 HG2 GLU 17 1HG GLU 17 4.228 1.272 -10.396 96 HG3 GLU 17 2HG GLU 17 4.395 2.420 -9.069 97 H CYS 18 H CYS 18 4.351 -2.502 -7.490 98 HA CYS 18 HA CYS 18 6.985 -3.512 -6.671 99 HB2 CYS 18 1HB CYS 18 6.475 -3.314 -4.353 100 HB3 CYS 18 2HB CYS 18 6.104 -1.753 -5.077 101 H GLY 19 H GLY 19 3.473 -3.971 -6.615 102 HA2 GLY 19 1HA GLY 19 2.723 -6.159 -7.518 103 HA3 GLY 19 2HA GLY 19 3.960 -6.884 -6.503 104 H LYS 20 H LYS 20 0.916 -5.103 -6.455 105 HA LYS 20 HA LYS 20 0.168 -6.537 -4.030 106 HB2 LYS 20 1HB LYS 20 0.230 -3.530 -4.269 107 HB3 LYS 20 2HB LYS 20 -0.738 -4.368 -3.063 108 HG2 LYS 20 1HG LYS 20 2.195 -4.901 -3.289 109 HG3 LYS 20 2HG LYS 20 1.598 -3.487 -2.417 110 HD2 LYS 20 1HD LYS 20 0.257 -4.934 -0.977 111 HD3 LYS 20 2HD LYS 20 0.825 -6.352 -1.861 112 HE2 LYS 20 1HE LYS 20 2.974 -6.180 -1.006 113 HE3 LYS 20 2HE LYS 20 2.786 -4.473 -0.607 114 HZ1 LYS 20 3HZ LYS 20 1.068 -6.400 0.770 115 HZ2 LYS 20 1HZ LYS 20 1.725 -4.945 1.331 116 HZ3 LYS 20 2HZ LYS 20 2.694 -6.327 1.229 117 H SER 21 H SER 21 -2.104 -6.605 -3.657 118 HA SER 21 HA SER 21 -3.682 -5.968 -6.062 119 HB2 SER 21 1HB SER 21 -5.123 -7.841 -5.502 120 HB3 SER 21 2HB SER 21 -3.449 -8.394 -5.546 121 HG SER 21 HG SER 21 -4.698 -7.577 -3.145 122 H PHE 22 H PHE 22 -5.603 -4.898 -5.869 123 HA PHE 22 HA PHE 22 -6.584 -4.237 -3.194 124 HB2 PHE 22 1HB PHE 22 -5.860 -2.205 -5.311 125 HB3 PHE 22 2HB PHE 22 -6.834 -1.836 -3.891 126 HD1 PHE 22 HD1 PHE 22 -3.501 -3.027 -4.978 127 HD2 PHE 22 HD2 PHE 22 -5.829 -1.343 -1.837 128 HE1 PHE 22 HE1 PHE 22 -1.449 -2.603 -3.688 129 HE2 PHE 22 HE2 PHE 22 -3.781 -0.916 -0.543 130 HZ PHE 22 HZ PHE 22 -1.587 -1.546 -1.468 131 H SER 23 H SER 23 -8.704 -2.930 -3.417 132 HA SER 23 HA SER 23 -10.241 -3.918 -5.724 133 HB2 SER 23 1HB SER 23 -10.552 -5.182 -3.466 134 HB3 SER 23 2HB SER 23 -11.474 -3.757 -2.988 135 HG SER 23 HG SER 23 -12.648 -5.575 -4.030 136 H GLY 24 H GLY 24 -9.679 -1.658 -6.402 137 HA2 GLY 24 1HA GLY 24 -11.597 0.048 -6.785 138 HA3 GLY 24 2HA GLY 24 -11.338 0.375 -5.078 139 H SER 25 H SER 25 -11.027 2.124 -7.429 140 HA SER 25 HA SER 25 -8.303 2.533 -8.016 141 HB2 SER 25 1HB SER 25 -10.693 4.376 -8.149 142 HB3 SER 25 2HB SER 25 -9.086 4.851 -8.698 143 HG SER 25 HG SER 25 -9.269 3.574 -10.387 144 H TYR 26 H TYR 26 -10.454 4.210 -5.726 145 HA TYR 26 HA TYR 26 -8.655 6.014 -4.667 146 HB2 TYR 26 1HB TYR 26 -10.925 6.221 -4.027 147 HB3 TYR 26 2HB TYR 26 -10.988 4.571 -3.418 148 HD1 TYR 26 HD1 TYR 26 -9.147 7.766 -2.798 149 HD2 TYR 26 HD2 TYR 26 -10.882 4.256 -1.133 150 HE1 TYR 26 HE1 TYR 26 -8.628 8.589 -0.539 151 HE2 TYR 26 HE2 TYR 26 -10.370 5.069 1.131 152 HH TYR 26 HH TYR 26 -8.235 7.495 1.773 153 H ARG 27 H ARG 27 -9.410 2.777 -3.371 154 HA ARG 27 HA ARG 27 -7.632 2.690 -1.284 155 HB2 ARG 27 1HB ARG 27 -9.353 0.927 -2.176 156 HB3 ARG 27 2HB ARG 27 -7.957 0.272 -3.021 157 HG2 ARG 27 1HG ARG 27 -8.130 -0.937 -1.013 158 HG3 ARG 27 2HG ARG 27 -6.795 0.194 -0.781 159 HD2 ARG 27 1HD ARG 27 -7.942 0.467 1.189 160 HD3 ARG 27 2HD ARG 27 -8.669 1.734 0.202 161 HE ARG 27 HE ARG 27 -10.652 0.561 0.193 162 HH11 ARG 27 1HH1 ARG 27 -8.106 -1.418 1.505 163 HH12 ARG 27 2HH1 ARG 27 -9.181 -2.648 2.081 164 HH21 ARG 27 1HH2 ARG 27 -12.078 -1.053 0.946 165 HH22 ARG 27 2HH2 ARG 27 -11.440 -2.440 1.762 166 H LEU 28 H LEU 28 -6.960 1.330 -4.517 167 HA LEU 28 HA LEU 28 -4.355 0.659 -4.287 168 HB2 LEU 28 1HB LEU 28 -5.737 0.450 -6.334 169 HB3 LEU 28 2HB LEU 28 -5.492 2.169 -6.635 170 HG LEU 28 HG LEU 28 -3.016 1.668 -6.753 171 HD11 LEU 28 1HD1 LEU 28 -3.775 -1.167 -7.279 172 HD12 LEU 28 2HD1 LEU 28 -3.477 -0.642 -5.622 173 HD13 LEU 28 3HD1 LEU 28 -2.211 -0.481 -6.840 174 HD21 LEU 28 3HD2 LEU 28 -5.015 1.535 -8.664 175 HD22 LEU 28 1HD2 LEU 28 -4.055 0.082 -8.946 176 HD23 LEU 28 2HD2 LEU 28 -3.281 1.667 -8.964 177 H THR 29 H THR 29 -5.523 3.934 -5.039 178 HA THR 29 HA THR 29 -3.135 5.258 -5.330 179 HB THR 29 HB THR 29 -5.568 6.340 -3.895 180 HG1 THR 29 HG1 THR 29 -4.880 6.193 -6.653 181 HG21 THR 29 3HG2 THR 29 -4.727 8.457 -4.169 182 HG22 THR 29 1HG2 THR 29 -3.736 8.003 -5.554 183 HG23 THR 29 2HG2 THR 29 -3.227 7.564 -3.924 184 H GLN 30 H GLN 30 -4.933 4.875 -2.271 185 HA GLN 30 HA GLN 30 -3.295 6.112 -0.507 186 HB2 GLN 30 1HB GLN 30 -4.868 3.569 -0.264 187 HB3 GLN 30 2HB GLN 30 -3.907 4.150 1.089 188 HG2 GLN 30 1HG GLN 30 -5.883 5.939 -0.265 189 HG3 GLN 30 2HG GLN 30 -6.396 4.780 0.960 190 HE21 GLN 30 1HE2 GLN 30 -6.314 5.398 3.004 191 HE22 GLN 30 2HE2 GLN 30 -5.452 6.766 3.612 192 H HIS 31 H HIS 31 -2.853 2.804 -1.725 193 HA HIS 31 HA HIS 31 -0.439 2.356 -0.278 194 HB2 HIS 31 1HB HIS 31 -1.566 0.393 -0.869 195 HB3 HIS 31 2HB HIS 31 -1.842 0.935 -2.522 196 HD1 HIS 31 HD1 HIS 31 0.792 -0.571 -0.315 197 HD2 HIS 31 HD2 HIS 31 0.200 0.367 -4.319 198 HE1 HIS 31 HE1 HIS 31 2.677 -1.685 -1.553 199 H TRP 32 H TRP 32 -1.207 3.485 -3.522 200 HA TRP 32 HA TRP 32 1.360 3.359 -4.633 201 HB2 TRP 32 1HB TRP 32 -1.130 4.881 -5.222 202 HB3 TRP 32 2HB TRP 32 0.363 5.448 -5.965 203 HD1 TRP 32 HD1 TRP 32 -1.086 1.863 -5.516 204 HE1 TRP 32 HE1 TRP 32 -1.009 0.696 -7.809 205 HE3 TRP 32 HE3 TRP 32 0.825 5.693 -8.313 206 HZ2 TRP 32 HZ2 TRP 32 -0.240 1.316 -10.453 207 HZ3 TRP 32 HZ3 TRP 32 1.201 5.324 -10.716 208 HH2 TRP 32 HH2 TRP 32 0.679 3.180 -11.762 209 H ILE 33 H ILE 33 -0.060 5.593 -2.390 210 HA ILE 33 HA ILE 33 1.591 7.815 -2.737 211 HB ILE 33 HB ILE 33 0.389 6.771 -0.171 212 HG12 ILE 33 1HG1 ILE 33 -0.614 8.802 -2.178 213 HG13 ILE 33 2HG1 ILE 33 -1.289 7.201 -1.894 214 HG21 ILE 33 1HG2 ILE 33 0.642 9.589 -0.176 215 HG22 ILE 33 2HG2 ILE 33 1.435 8.420 0.879 216 HG23 ILE 33 3HG2 ILE 33 2.206 8.911 -0.628 217 HD11 ILE 33 3HD1 ILE 33 -2.225 9.474 -0.790 218 HD12 ILE 33 1HD1 ILE 33 -2.430 7.870 -0.088 219 HD13 ILE 33 2HD1 ILE 33 -1.130 8.920 0.476 220 H THR 34 H THR 34 2.183 4.758 -1.166 221 HA THR 34 HA THR 34 4.478 5.528 0.310 222 HB THR 34 HB THR 34 4.942 3.149 0.544 223 HG1 THR 34 HG1 THR 34 3.189 1.797 -0.608 224 HG21 THR 34 3HG2 THR 34 2.056 3.968 0.772 225 HG22 THR 34 1HG2 THR 34 3.277 3.890 2.042 226 HG23 THR 34 2HG2 THR 34 2.638 2.403 1.342 227 H HIS 35 H HIS 35 3.951 4.971 -3.014 228 HA HIS 35 HA HIS 35 6.737 4.348 -3.580 229 HB2 HIS 35 1HB HIS 35 4.371 4.734 -5.426 230 HB3 HIS 35 2HB HIS 35 5.983 4.250 -5.943 231 HD1 HIS 35 HD1 HIS 35 6.671 2.075 -3.973 232 HD2 HIS 35 HD2 HIS 35 2.897 2.479 -5.661 233 HE1 HIS 35 HE1 HIS 35 5.614 -0.200 -3.807 234 H THR 36 H THR 36 4.440 6.992 -3.970 235 HA THR 36 HA THR 36 6.335 8.662 -5.365 236 HB THR 36 HB THR 36 3.962 8.900 -5.870 237 HG1 THR 36 HG1 THR 36 3.991 11.102 -5.890 238 HG21 THR 36 3HG2 THR 36 3.443 8.460 -3.290 239 HG22 THR 36 1HG2 THR 36 2.316 9.311 -4.346 240 HG23 THR 36 2HG2 THR 36 3.383 10.223 -3.277 241 H ARG 37 H ARG 37 5.314 8.137 -2.085 242 HA ARG 37 HA ARG 37 6.784 10.506 -1.178 243 HB2 ARG 37 1HB ARG 37 4.917 8.644 0.301 244 HB3 ARG 37 2HB ARG 37 5.747 10.012 1.031 245 HG2 ARG 37 1HG ARG 37 3.869 10.280 -1.300 246 HG3 ARG 37 2HG ARG 37 3.358 10.409 0.384 247 HD2 ARG 37 1HD ARG 37 5.365 12.137 0.470 248 HD3 ARG 37 2HD ARG 37 5.014 12.255 -1.254 249 HE ARG 37 HE ARG 37 3.019 13.298 -0.758 250 HH11 ARG 37 1HH1 ARG 37 4.461 12.033 2.147 251 HH12 ARG 37 2HH1 ARG 37 3.375 12.869 3.207 252 HH21 ARG 37 1HH2 ARG 37 1.583 14.405 0.627 253 HH22 ARG 37 2HH2 ARG 37 1.738 14.218 2.341 254 H GLU 38 H GLU 38 8.034 10.168 0.920 255 HA GLU 38 HA GLU 38 9.691 7.759 0.612 256 HB2 GLU 38 1HB GLU 38 10.286 10.516 1.658 257 HB3 GLU 38 2HB GLU 38 11.339 9.155 2.014 258 HG2 GLU 38 1HG GLU 38 11.599 8.784 -0.423 259 HG3 GLU 38 2HG GLU 38 10.660 10.250 -0.704 260 H LYS 39 H LYS 39 8.087 6.548 1.844 261 HA LYS 39 HA LYS 39 8.438 6.945 4.741 262 HB2 LYS 39 1HB LYS 39 5.932 5.856 3.457 263 HB3 LYS 39 2HB LYS 39 6.173 6.269 5.149 264 HG2 LYS 39 1HG LYS 39 6.532 8.413 3.128 265 HG3 LYS 39 2HG LYS 39 4.892 7.868 3.488 266 HD2 LYS 39 1HD LYS 39 5.095 9.501 5.069 267 HD3 LYS 39 2HD LYS 39 5.748 8.138 5.982 268 HE2 LYS 39 1HE LYS 39 7.190 10.061 6.241 269 HE3 LYS 39 2HE LYS 39 8.021 8.815 5.311 270 HZ1 LYS 39 3HZ LYS 39 7.212 11.469 4.519 271 HZ2 LYS 39 1HZ LYS 39 6.847 10.271 3.382 272 HZ3 LYS 39 2HZ LYS 39 8.441 10.483 3.904 273 HA PRO 40 HA PRO 40 9.866 2.790 4.872 274 HB2 PRO 40 1HB PRO 40 9.187 2.130 7.416 275 HB3 PRO 40 2HB PRO 40 10.518 3.226 7.031 276 HG2 PRO 40 1HG PRO 40 7.722 3.869 7.885 277 HG3 PRO 40 2HG PRO 40 9.249 4.599 8.414 278 HD2 PRO 40 1HD PRO 40 7.631 5.769 6.585 279 HD3 PRO 40 2HD PRO 40 9.397 5.944 6.548 280 H SER 41 H SER 41 8.686 1.497 3.538 281 HA SER 41 HA SER 41 5.941 0.899 3.889 282 HB2 SER 41 1HB SER 41 7.488 0.677 1.778 283 HB3 SER 41 2HB SER 41 7.781 -0.946 2.404 284 HG SER 41 HG SER 41 5.950 -0.633 0.887 285 H GLY 42 H GLY 42 8.897 -0.947 4.605 286 HA2 GLY 42 1HA GLY 42 8.777 -2.099 6.840 287 HA3 GLY 42 2HA GLY 42 7.246 -2.746 6.269 288 HA PRO 43 HA PRO 43 10.982 -5.471 5.122 289 HB2 PRO 43 1HB PRO 43 10.630 -7.428 6.971 290 HB3 PRO 43 2HB PRO 43 11.649 -6.012 7.253 291 HG2 PRO 43 1HG PRO 43 8.838 -6.530 8.143 292 HG3 PRO 43 2HG PRO 43 10.186 -5.824 9.052 293 HD2 PRO 43 1HD PRO 43 8.234 -4.316 7.936 294 HD3 PRO 43 2HD PRO 43 9.907 -3.746 8.096 295 H SER 44 H SER 44 10.688 -8.084 4.994 296 HA SER 44 HA SER 44 9.644 -9.785 3.903 297 HB2 SER 44 1HB SER 44 7.166 -8.430 4.995 298 HB3 SER 44 2HB SER 44 7.187 -10.027 4.247 299 HG SER 44 HG SER 44 8.935 -10.384 5.958 300 H SER 45 H SER 45 10.423 -7.659 2.332 301 HA SER 45 HA SER 45 8.270 -7.544 0.323 302 HB2 SER 45 1HB SER 45 10.330 -5.451 1.038 303 HB3 SER 45 2HB SER 45 9.355 -5.384 -0.430 304 HG SER 45 HG SER 45 7.522 -5.198 0.808 305 H GLY 46 H GLY 46 9.066 -9.467 -0.646 306 HA2 GLY 46 1HA GLY 46 11.742 -9.279 -1.851 307 HA3 GLY 46 2HA GLY 46 10.806 -10.755 -1.664 Start of MODEL 13 1 H1 GLY 1 H GLY 1 9.250 -33.715 -7.546 2 HA2 GLY 1 1HA GLY 1 7.689 -32.745 -9.433 3 HA3 GLY 1 2HA GLY 1 6.863 -34.269 -9.144 4 H SER 2 H SER 2 6.590 -31.147 -8.522 5 HA SER 2 HA SER 2 4.761 -31.472 -6.399 6 HB2 SER 2 1HB SER 2 5.989 -30.168 -4.659 7 HB3 SER 2 2HB SER 2 6.714 -31.741 -4.990 8 HG SER 2 HG SER 2 8.413 -30.795 -5.863 9 H SER 3 H SER 3 3.383 -29.789 -6.364 10 HA SER 3 HA SER 3 4.175 -27.127 -7.089 11 HB2 SER 3 1HB SER 3 2.736 -28.879 -9.036 12 HB3 SER 3 2HB SER 3 2.301 -27.172 -8.959 13 HG SER 3 HG SER 3 4.268 -28.168 -10.293 14 H GLY 4 H GLY 4 2.460 -25.572 -6.811 15 HA2 GLY 4 1HA GLY 4 0.137 -26.641 -5.334 16 HA3 GLY 4 2HA GLY 4 1.057 -25.272 -4.727 17 H SER 5 H SER 5 -0.402 -23.657 -4.823 18 HA SER 5 HA SER 5 -0.973 -22.443 -7.304 19 HB2 SER 5 1HB SER 5 -2.619 -24.469 -7.160 20 HB3 SER 5 2HB SER 5 -3.494 -23.448 -6.020 21 HG SER 5 HG SER 5 -2.830 -22.819 -8.707 22 H SER 6 H SER 6 -2.436 -20.537 -7.048 23 HA SER 6 HA SER 6 -2.489 -19.575 -4.265 24 HB2 SER 6 1HB SER 6 -0.641 -18.648 -5.923 25 HB3 SER 6 2HB SER 6 -1.975 -17.639 -6.484 26 HG SER 6 HG SER 6 -0.472 -17.334 -4.308 27 H GLY 7 H GLY 7 -4.729 -20.207 -4.289 28 HA2 GLY 7 1HA GLY 7 -6.981 -19.957 -4.797 29 HA3 GLY 7 2HA GLY 7 -6.584 -18.277 -4.469 30 H GLU 8 H GLU 8 -8.114 -17.507 -5.939 31 HA GLU 8 HA GLU 8 -7.166 -17.245 -8.619 32 HB2 GLU 8 1HB GLU 8 -9.048 -18.271 -9.770 33 HB3 GLU 8 2HB GLU 8 -8.217 -19.465 -8.782 34 HG2 GLU 8 1HG GLU 8 -9.933 -19.356 -7.108 35 HG3 GLU 8 2HG GLU 8 -10.725 -18.027 -7.951 36 H GLY 9 H GLY 9 -7.800 -15.331 -9.408 37 HA2 GLY 9 1HA GLY 9 -10.112 -14.049 -9.554 38 HA3 GLY 9 2HA GLY 9 -9.741 -13.800 -7.854 39 H GLU 10 H GLU 10 -8.888 -12.998 -11.132 40 HA GLU 10 HA GLU 10 -6.670 -11.318 -10.379 41 HB2 GLU 10 1HB GLU 10 -6.445 -10.830 -12.697 42 HB3 GLU 10 2HB GLU 10 -6.858 -12.534 -12.580 43 HG2 GLU 10 1HG GLU 10 -8.846 -10.353 -13.156 44 HG3 GLU 10 2HG GLU 10 -8.034 -11.312 -14.392 45 H LYS 11 H LYS 11 -6.686 -9.189 -9.971 46 HA LYS 11 HA LYS 11 -9.263 -7.782 -10.211 47 HB2 LYS 11 1HB LYS 11 -7.002 -7.415 -8.242 48 HB3 LYS 11 2HB LYS 11 -8.349 -6.294 -8.393 49 HG2 LYS 11 1HG LYS 11 -9.856 -8.297 -7.956 50 HG3 LYS 11 2HG LYS 11 -8.389 -9.144 -7.459 51 HD2 LYS 11 1HD LYS 11 -7.991 -7.137 -5.910 52 HD3 LYS 11 2HD LYS 11 -9.682 -6.733 -6.219 53 HE2 LYS 11 1HE LYS 11 -10.461 -8.654 -5.171 54 HE3 LYS 11 2HE LYS 11 -8.918 -9.490 -5.339 55 HZ1 LYS 11 3HZ LYS 11 -8.541 -8.889 -3.248 56 HZ2 LYS 11 1HZ LYS 11 -9.848 -7.814 -3.223 57 HZ3 LYS 11 2HZ LYS 11 -8.345 -7.304 -3.806 58 HA PRO 12 HA PRO 12 -7.415 -4.992 -13.069 59 HB2 PRO 12 1HB PRO 12 -9.035 -2.846 -12.699 60 HB3 PRO 12 2HB PRO 12 -9.553 -4.304 -13.553 61 HG2 PRO 12 1HG PRO 12 -10.070 -3.484 -10.721 62 HG3 PRO 12 2HG PRO 12 -11.184 -4.203 -11.899 63 HD2 PRO 12 1HD PRO 12 -9.989 -5.653 -9.949 64 HD3 PRO 12 2HD PRO 12 -10.386 -6.336 -11.540 65 H TYR 13 H TYR 13 -7.671 -4.277 -9.694 66 HA TYR 13 HA TYR 13 -5.874 -1.975 -9.954 67 HB2 TYR 13 1HB TYR 13 -7.305 -2.967 -7.483 68 HB3 TYR 13 2HB TYR 13 -6.456 -1.436 -7.668 69 HD1 TYR 13 HD2 TYR 13 -7.363 0.138 -9.551 70 HD2 TYR 13 HD1 TYR 13 -9.598 -3.042 -7.819 71 HE1 TYR 13 HE2 TYR 13 -9.449 1.209 -10.291 72 HE2 TYR 13 HE1 TYR 13 -11.690 -1.980 -8.556 73 HH TYR 13 HH TYR 13 -12.592 -0.035 -9.338 74 H GLN 14 H GLN 14 -4.039 -3.296 -10.488 75 HA GLN 14 HA GLN 14 -2.856 -4.577 -8.115 76 HB2 GLN 14 1HB GLN 14 -3.477 -6.313 -9.700 77 HB3 GLN 14 2HB GLN 14 -2.630 -5.473 -10.993 78 HG2 GLN 14 1HG GLN 14 -1.088 -7.058 -10.446 79 HG3 GLN 14 2HG GLN 14 -0.572 -5.737 -9.398 80 HE21 GLN 14 1HE2 GLN 14 -1.572 -8.953 -9.556 81 HE22 GLN 14 2HE2 GLN 14 -1.719 -9.252 -7.861 82 H CYS 15 H CYS 15 -1.281 -3.289 -7.428 83 HA CYS 15 HA CYS 15 0.067 -1.427 -9.112 84 HB2 CYS 15 1HB CYS 15 -0.247 -0.889 -6.783 85 HB3 CYS 15 2HB CYS 15 0.608 -2.345 -6.283 86 H SER 16 H SER 16 1.553 -1.967 -10.557 87 HA SER 16 HA SER 16 2.956 -4.450 -10.487 88 HB2 SER 16 1HB SER 16 2.920 -2.064 -12.280 89 HB3 SER 16 2HB SER 16 4.296 -3.161 -12.386 90 HG SER 16 HG SER 16 1.646 -3.554 -13.099 91 H GLU 17 H GLU 17 3.873 -1.075 -9.903 92 HA GLU 17 HA GLU 17 6.525 -1.073 -9.652 93 HB2 GLU 17 1HB GLU 17 4.813 0.715 -8.917 94 HB3 GLU 17 2HB GLU 17 4.909 -0.045 -7.335 95 HG2 GLU 17 1HG GLU 17 7.364 0.337 -7.368 96 HG3 GLU 17 2HG GLU 17 7.155 1.239 -8.868 97 H CYS 18 H CYS 18 4.389 -2.295 -7.076 98 HA CYS 18 HA CYS 18 6.703 -3.721 -5.946 99 HB2 CYS 18 1HB CYS 18 5.482 -3.752 -3.825 100 HB3 CYS 18 2HB CYS 18 5.664 -2.103 -4.414 101 H GLY 19 H GLY 19 3.229 -4.045 -6.628 102 HA2 GLY 19 1HA GLY 19 2.510 -6.058 -7.819 103 HA3 GLY 19 2HA GLY 19 3.664 -6.959 -6.847 104 H LYS 20 H LYS 20 1.194 -4.547 -5.981 105 HA LYS 20 HA LYS 20 0.008 -6.565 -4.188 106 HB2 LYS 20 1HB LYS 20 0.707 -3.707 -3.749 107 HB3 LYS 20 2HB LYS 20 -0.767 -4.302 -2.997 108 HG2 LYS 20 1HG LYS 20 0.654 -6.175 -2.040 109 HG3 LYS 20 2HG LYS 20 2.052 -5.229 -2.555 110 HD2 LYS 20 1HD LYS 20 1.143 -3.312 -1.233 111 HD3 LYS 20 2HD LYS 20 -0.101 -4.400 -0.613 112 HE2 LYS 20 1HE LYS 20 2.800 -5.109 -0.386 113 HE3 LYS 20 2HE LYS 20 2.053 -4.012 0.775 114 HZ1 LYS 20 3HZ LYS 20 1.662 -6.874 0.410 115 HZ2 LYS 20 1HZ LYS 20 0.286 -5.973 0.805 116 HZ3 LYS 20 2HZ LYS 20 1.634 -5.949 1.826 117 H SER 21 H SER 21 -2.133 -6.915 -4.334 118 HA SER 21 HA SER 21 -3.608 -5.358 -6.335 119 HB2 SER 21 1HB SER 21 -3.503 -7.790 -6.699 120 HB3 SER 21 2HB SER 21 -4.248 -8.059 -5.123 121 HG SER 21 HG SER 21 -5.938 -6.532 -6.151 122 H PHE 22 H PHE 22 -5.717 -4.603 -5.919 123 HA PHE 22 HA PHE 22 -6.592 -4.608 -3.123 124 HB2 PHE 22 1HB PHE 22 -6.546 -2.069 -4.753 125 HB3 PHE 22 2HB PHE 22 -6.876 -2.244 -3.033 126 HD1 PHE 22 HD2 PHE 22 -4.825 -3.588 -1.806 127 HD2 PHE 22 HD1 PHE 22 -4.541 -1.097 -5.246 128 HE1 PHE 22 HE2 PHE 22 -2.451 -3.179 -1.309 129 HE2 PHE 22 HE1 PHE 22 -2.166 -0.685 -4.755 130 HZ PHE 22 HZ PHE 22 -1.118 -1.725 -2.784 131 H SER 23 H SER 23 -8.836 -3.981 -2.845 132 HA SER 23 HA SER 23 -10.434 -4.732 -5.187 133 HB2 SER 23 1HB SER 23 -12.205 -5.286 -3.617 134 HB3 SER 23 2HB SER 23 -10.708 -6.063 -3.101 135 HG SER 23 HG SER 23 -12.240 -4.301 -1.775 136 H GLY 24 H GLY 24 -9.447 -2.159 -5.262 137 HA2 GLY 24 1HA GLY 24 -11.760 -0.640 -5.707 138 HA3 GLY 24 2HA GLY 24 -11.115 -0.192 -4.135 139 H SER 25 H SER 25 -11.336 1.586 -6.301 140 HA SER 25 HA SER 25 -8.819 1.844 -7.638 141 HB2 SER 25 1HB SER 25 -9.704 3.884 -8.552 142 HB3 SER 25 2HB SER 25 -11.014 2.704 -8.526 143 HG SER 25 HG SER 25 -10.774 5.081 -7.196 144 H TYR 26 H TYR 26 -10.365 3.453 -4.886 145 HA TYR 26 HA TYR 26 -8.385 5.372 -4.404 146 HB2 TYR 26 1HB TYR 26 -10.307 5.804 -3.211 147 HB3 TYR 26 2HB TYR 26 -10.545 4.116 -2.774 148 HD1 TYR 26 HD1 TYR 26 -8.061 6.849 -2.166 149 HD2 TYR 26 HD2 TYR 26 -10.228 3.557 -0.562 150 HE1 TYR 26 HE1 TYR 26 -7.084 7.291 0.047 151 HE2 TYR 26 HE2 TYR 26 -9.258 3.991 1.656 152 HH TYR 26 HH TYR 26 -7.445 5.081 2.690 153 H ARG 27 H ARG 27 -8.767 2.081 -3.142 154 HA ARG 27 HA ARG 27 -6.718 2.007 -1.305 155 HB2 ARG 27 1HB ARG 27 -7.929 -0.057 -3.101 156 HB3 ARG 27 2HB ARG 27 -6.513 -0.474 -2.147 157 HG2 ARG 27 1HG ARG 27 -8.928 0.752 -0.872 158 HG3 ARG 27 2HG ARG 27 -8.831 -0.983 -1.183 159 HD2 ARG 27 1HD ARG 27 -6.776 0.581 0.371 160 HD3 ARG 27 2HD ARG 27 -8.112 -0.302 1.108 161 HE ARG 27 HE ARG 27 -6.671 -2.027 -0.583 162 HH11 ARG 27 1HH1 ARG 27 -6.366 -0.349 2.452 163 HH12 ARG 27 2HH1 ARG 27 -5.279 -1.513 3.135 164 HH21 ARG 27 1HH2 ARG 27 -5.241 -3.566 0.305 165 HH22 ARG 27 2HH2 ARG 27 -4.640 -3.342 1.913 166 H LEU 28 H LEU 28 -6.539 1.774 -4.808 167 HA LEU 28 HA LEU 28 -3.791 1.035 -4.914 168 HB2 LEU 28 1HB LEU 28 -5.495 0.695 -6.728 169 HB3 LEU 28 2HB LEU 28 -5.392 2.425 -7.052 170 HG LEU 28 HG LEU 28 -2.809 1.823 -7.298 171 HD11 LEU 28 1HD1 LEU 28 -2.653 -0.350 -8.527 172 HD12 LEU 28 2HD1 LEU 28 -4.271 -0.730 -7.940 173 HD13 LEU 28 3HD1 LEU 28 -2.949 -0.501 -6.795 174 HD21 LEU 28 3HD2 LEU 28 -3.583 2.839 -9.154 175 HD22 LEU 28 1HD2 LEU 28 -5.087 1.917 -9.163 176 HD23 LEU 28 2HD2 LEU 28 -3.607 1.197 -9.798 177 H THR 29 H THR 29 -5.377 4.097 -5.837 178 HA THR 29 HA THR 29 -3.159 5.662 -6.186 179 HB THR 29 HB THR 29 -4.577 7.610 -5.470 180 HG1 THR 29 HG1 THR 29 -6.008 6.933 -4.010 181 HG21 THR 29 3HG2 THR 29 -4.605 6.737 -7.777 182 HG22 THR 29 1HG2 THR 29 -6.168 7.396 -7.298 183 HG23 THR 29 2HG2 THR 29 -5.921 5.650 -7.335 184 H GLN 30 H GLN 30 -4.991 5.378 -3.135 185 HA GLN 30 HA GLN 30 -3.309 6.913 -1.548 186 HB2 GLN 30 1HB GLN 30 -4.329 5.844 0.354 187 HB3 GLN 30 2HB GLN 30 -5.557 6.080 -0.883 188 HG2 GLN 30 1HG GLN 30 -5.997 3.945 -0.156 189 HG3 GLN 30 2HG GLN 30 -4.987 3.655 -1.572 190 HE21 GLN 30 1HE2 GLN 30 -5.064 1.595 -0.049 191 HE22 GLN 30 2HE2 GLN 30 -3.670 1.428 0.958 192 H HIS 31 H HIS 31 -3.152 3.462 -2.309 193 HA HIS 31 HA HIS 31 -0.986 2.864 -0.589 194 HB2 HIS 31 1HB HIS 31 -2.151 0.971 -1.257 195 HB3 HIS 31 2HB HIS 31 -2.263 1.505 -2.932 196 HD1 HIS 31 HD1 HIS 31 0.033 -0.220 -0.532 197 HD2 HIS 31 HD2 HIS 31 -0.104 0.803 -4.556 198 HE1 HIS 31 HE1 HIS 31 1.920 -1.485 -1.612 199 H TRP 32 H TRP 32 -1.190 4.026 -3.892 200 HA TRP 32 HA TRP 32 1.483 3.585 -4.646 201 HB2 TRP 32 1HB TRP 32 -0.708 5.385 -5.593 202 HB3 TRP 32 2HB TRP 32 0.930 5.666 -6.179 203 HD1 TRP 32 HD1 TRP 32 -0.901 2.281 -5.666 204 HE1 TRP 32 HE1 TRP 32 -0.844 1.007 -7.902 205 HE3 TRP 32 HE3 TRP 32 1.384 5.822 -8.560 206 HZ2 TRP 32 HZ2 TRP 32 0.053 1.445 -10.542 207 HZ3 TRP 32 HZ3 TRP 32 1.806 5.315 -10.931 208 HH2 TRP 32 HH2 TRP 32 1.154 3.171 -11.899 209 H ILE 33 H ILE 33 -0.085 6.280 -2.993 210 HA ILE 33 HA ILE 33 1.754 8.259 -3.041 211 HB ILE 33 HB ILE 33 0.323 7.305 -0.557 212 HG12 ILE 33 1HG1 ILE 33 -0.477 9.458 -2.523 213 HG13 ILE 33 2HG1 ILE 33 -1.115 7.818 -2.552 214 HG21 ILE 33 1HG2 ILE 33 2.222 8.851 -0.134 215 HG22 ILE 33 2HG2 ILE 33 1.429 10.041 -1.165 216 HG23 ILE 33 3HG2 ILE 33 0.654 9.513 0.328 217 HD11 ILE 33 3HD1 ILE 33 -1.385 9.744 -0.257 218 HD12 ILE 33 1HD1 ILE 33 -2.629 9.399 -1.458 219 HD13 ILE 33 2HD1 ILE 33 -2.086 8.129 -0.361 220 H THR 34 H THR 34 1.887 5.421 -0.906 221 HA THR 34 HA THR 34 4.127 6.016 0.575 222 HB THR 34 HB THR 34 4.478 3.623 0.862 223 HG1 THR 34 HG1 THR 34 2.794 2.336 -0.468 224 HG21 THR 34 3HG2 THR 34 2.473 3.144 1.922 225 HG22 THR 34 1HG2 THR 34 1.504 3.900 0.657 226 HG23 THR 34 2HG2 THR 34 2.407 4.901 1.795 227 H HIS 35 H HIS 35 3.950 4.756 -2.713 228 HA HIS 35 HA HIS 35 6.697 4.185 -3.022 229 HB2 HIS 35 1HB HIS 35 4.531 4.815 -5.031 230 HB3 HIS 35 2HB HIS 35 6.168 4.359 -5.494 231 HD1 HIS 35 HD1 HIS 35 6.638 2.064 -3.492 232 HD2 HIS 35 HD2 HIS 35 3.160 2.562 -5.709 233 HE1 HIS 35 HE1 HIS 35 5.587 -0.217 -3.615 234 H THR 36 H THR 36 4.814 7.113 -3.390 235 HA THR 36 HA THR 36 6.950 8.589 -4.639 236 HB THR 36 HB THR 36 4.455 9.719 -3.365 237 HG1 THR 36 HG1 THR 36 4.816 8.947 -6.084 238 HG21 THR 36 3HG2 THR 36 5.136 11.695 -4.147 239 HG22 THR 36 1HG2 THR 36 5.426 11.023 -5.750 240 HG23 THR 36 2HG2 THR 36 6.687 10.945 -4.521 241 H ARG 37 H ARG 37 7.885 7.442 -2.306 242 HA ARG 37 HA ARG 37 8.422 9.834 -0.689 243 HB2 ARG 37 1HB ARG 37 7.926 7.079 0.454 244 HB3 ARG 37 2HB ARG 37 8.320 8.530 1.366 245 HG2 ARG 37 1HG ARG 37 5.908 8.551 -0.375 246 HG3 ARG 37 2HG ARG 37 5.849 7.680 1.159 247 HD2 ARG 37 1HD ARG 37 6.729 10.548 0.895 248 HD3 ARG 37 2HD ARG 37 5.072 10.064 1.254 249 HE ARG 37 HE ARG 37 7.083 8.988 3.033 250 HH11 ARG 37 1HH1 ARG 37 4.816 11.557 2.414 251 HH12 ARG 37 2HH1 ARG 37 4.709 12.039 4.074 252 HH21 ARG 37 1HH2 ARG 37 6.950 9.613 5.222 253 HH22 ARG 37 2HH2 ARG 37 5.924 10.933 5.671 254 H GLU 38 H GLU 38 10.526 10.236 -0.630 255 HA GLU 38 HA GLU 38 12.398 8.032 -1.154 256 HB2 GLU 38 1HB GLU 38 12.795 11.018 -1.409 257 HB3 GLU 38 2HB GLU 38 14.012 9.800 -1.763 258 HG2 GLU 38 1HG GLU 38 12.705 8.942 -3.583 259 HG3 GLU 38 2HG GLU 38 11.366 10.014 -3.177 260 H LYS 39 H LYS 39 14.458 8.055 0.002 261 HA LYS 39 HA LYS 39 14.506 9.488 2.536 262 HB2 LYS 39 1HB LYS 39 14.822 7.477 3.868 263 HB3 LYS 39 2HB LYS 39 13.278 7.409 3.028 264 HG2 LYS 39 1HG LYS 39 14.148 5.866 1.419 265 HG3 LYS 39 2HG LYS 39 15.781 6.045 2.063 266 HD2 LYS 39 1HD LYS 39 14.962 5.126 4.226 267 HD3 LYS 39 2HD LYS 39 13.400 4.829 3.461 268 HE2 LYS 39 1HE LYS 39 14.223 3.138 2.131 269 HE3 LYS 39 2HE LYS 39 15.874 3.756 2.186 270 HZ1 LYS 39 3HZ LYS 39 15.924 3.082 4.561 271 HZ2 LYS 39 1HZ LYS 39 15.775 1.784 3.485 272 HZ3 LYS 39 2HZ LYS 39 14.425 2.329 4.345 273 HA PRO 40 HA PRO 40 18.821 9.627 1.711 274 HB2 PRO 40 1HB PRO 40 19.779 9.954 4.230 275 HB3 PRO 40 2HB PRO 40 18.943 11.236 3.346 276 HG2 PRO 40 1HG PRO 40 17.884 9.377 5.439 277 HG3 PRO 40 2HG PRO 40 17.610 11.118 5.248 278 HD2 PRO 40 1HD PRO 40 15.801 9.263 4.459 279 HD3 PRO 40 2HD PRO 40 16.007 10.814 3.619 280 H SER 41 H SER 41 20.489 8.230 1.500 281 HA SER 41 HA SER 41 20.170 5.531 2.296 282 HB2 SER 41 1HB SER 41 21.374 6.110 0.255 283 HB3 SER 41 2HB SER 41 22.597 6.969 1.192 284 HG SER 41 HG SER 41 23.510 5.131 1.681 285 H GLY 42 H GLY 42 20.216 5.049 4.415 286 HA2 GLY 42 1HA GLY 42 22.051 6.357 6.225 287 HA3 GLY 42 2HA GLY 42 20.887 5.106 6.638 288 HA PRO 43 HA PRO 43 25.137 3.265 6.849 289 HB2 PRO 43 1HB PRO 43 24.741 2.036 9.237 290 HB3 PRO 43 2HB PRO 43 25.299 3.708 9.097 291 HG2 PRO 43 1HG PRO 43 22.543 2.668 9.634 292 HG3 PRO 43 2HG PRO 43 23.397 4.022 10.398 293 HD2 PRO 43 1HD PRO 43 21.538 4.379 8.461 294 HD3 PRO 43 2HD PRO 43 22.930 5.462 8.659 295 H SER 44 H SER 44 22.065 1.785 7.889 296 HA SER 44 HA SER 44 22.520 -0.427 6.055 297 HB2 SER 44 1HB SER 44 23.587 -1.194 8.131 298 HB3 SER 44 2HB SER 44 22.098 -0.873 9.021 299 HG SER 44 HG SER 44 21.191 -2.384 7.285 300 H SER 45 H SER 45 20.624 -1.659 5.616 301 HA SER 45 HA SER 45 18.234 -0.099 5.686 302 HB2 SER 45 1HB SER 45 19.038 -1.802 3.886 303 HB3 SER 45 2HB SER 45 18.291 -3.008 4.933 304 HG SER 45 HG SER 45 16.835 -2.220 3.351 305 H GLY 46 H GLY 46 18.887 -3.395 6.904 306 HA2 GLY 46 1HA GLY 46 18.277 -4.323 8.948 307 HA3 GLY 46 2HA GLY 46 17.498 -2.807 9.374 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -0.972 -19.819 -15.852 2 HA2 GLY 1 1HA GLY 1 -2.411 -18.866 -13.600 3 HA3 GLY 1 2HA GLY 1 -2.807 -17.905 -15.018 4 H SER 2 H SER 2 -4.151 -20.104 -13.260 5 HA SER 2 HA SER 2 -5.040 -21.817 -15.482 6 HB2 SER 2 1HB SER 2 -5.640 -23.478 -13.878 7 HB3 SER 2 2HB SER 2 -4.041 -22.898 -13.413 8 HG SER 2 HG SER 2 -5.177 -21.471 -11.929 9 H SER 3 H SER 3 -6.210 -19.960 -12.696 10 HA SER 3 HA SER 3 -8.340 -19.296 -12.125 11 HB2 SER 3 1HB SER 3 -9.343 -17.845 -13.905 12 HB3 SER 3 2HB SER 3 -7.644 -17.500 -13.583 13 HG SER 3 HG SER 3 -8.052 -17.614 -15.818 14 H GLY 4 H GLY 4 -8.374 -22.011 -12.705 15 HA2 GLY 4 1HA GLY 4 -10.107 -22.956 -14.621 16 HA3 GLY 4 2HA GLY 4 -9.932 -23.672 -13.026 17 H SER 5 H SER 5 -11.222 -22.643 -11.267 18 HA SER 5 HA SER 5 -13.738 -21.505 -12.285 19 HB2 SER 5 1HB SER 5 -13.880 -23.989 -11.731 20 HB3 SER 5 2HB SER 5 -13.630 -23.529 -10.047 21 HG SER 5 HG SER 5 -15.624 -22.214 -11.500 22 H SER 6 H SER 6 -13.350 -19.442 -11.593 23 HA SER 6 HA SER 6 -13.041 -17.680 -10.175 24 HB2 SER 6 1HB SER 6 -15.280 -18.640 -9.464 25 HB3 SER 6 2HB SER 6 -14.428 -19.429 -8.137 26 HG SER 6 HG SER 6 -15.284 -16.901 -8.307 27 H GLY 7 H GLY 7 -10.813 -19.368 -10.314 28 HA2 GLY 7 1HA GLY 7 -9.825 -20.081 -7.744 29 HA3 GLY 7 2HA GLY 7 -8.871 -19.920 -9.212 30 H GLU 8 H GLU 8 -7.760 -18.036 -9.614 31 HA GLU 8 HA GLU 8 -7.469 -16.269 -7.311 32 HB2 GLU 8 1HB GLU 8 -5.451 -15.454 -8.456 33 HB3 GLU 8 2HB GLU 8 -5.432 -17.202 -8.264 34 HG2 GLU 8 1HG GLU 8 -6.083 -17.491 -10.580 35 HG3 GLU 8 2HG GLU 8 -6.185 -15.743 -10.786 36 H GLY 9 H GLY 9 -8.098 -16.066 -10.803 37 HA2 GLY 9 1HA GLY 9 -9.154 -14.459 -12.057 38 HA3 GLY 9 2HA GLY 9 -9.947 -13.964 -10.569 39 H GLU 10 H GLU 10 -8.411 -12.663 -12.989 40 HA GLU 10 HA GLU 10 -6.315 -11.175 -11.748 41 HB2 GLU 10 1HB GLU 10 -6.559 -11.683 -14.228 42 HB3 GLU 10 2HB GLU 10 -7.785 -10.425 -14.272 43 HG2 GLU 10 1HG GLU 10 -5.883 -8.997 -13.149 44 HG3 GLU 10 2HG GLU 10 -4.846 -10.200 -13.915 45 H LYS 11 H LYS 11 -6.288 -8.998 -11.150 46 HA LYS 11 HA LYS 11 -8.927 -7.919 -10.439 47 HB2 LYS 11 1HB LYS 11 -6.186 -7.563 -9.251 48 HB3 LYS 11 2HB LYS 11 -7.488 -6.436 -8.894 49 HG2 LYS 11 1HG LYS 11 -7.631 -7.906 -7.134 50 HG3 LYS 11 2HG LYS 11 -8.816 -8.576 -8.259 51 HD2 LYS 11 1HD LYS 11 -7.650 -10.470 -7.677 52 HD3 LYS 11 2HD LYS 11 -6.759 -9.961 -9.114 53 HE2 LYS 11 1HE LYS 11 -5.894 -8.926 -6.460 54 HE3 LYS 11 2HE LYS 11 -5.520 -10.599 -6.870 55 HZ1 LYS 11 3HZ LYS 11 -4.829 -9.166 -9.097 56 HZ2 LYS 11 1HZ LYS 11 -3.767 -9.793 -7.939 57 HZ3 LYS 11 2HZ LYS 11 -4.309 -8.196 -7.812 58 HA PRO 12 HA PRO 12 -8.484 -4.604 -13.296 59 HB2 PRO 12 1HB PRO 12 -10.039 -2.743 -12.077 60 HB3 PRO 12 2HB PRO 12 -10.703 -4.158 -12.902 61 HG2 PRO 12 1HG PRO 12 -10.230 -3.717 -9.979 62 HG3 PRO 12 2HG PRO 12 -11.628 -4.449 -10.788 63 HD2 PRO 12 1HD PRO 12 -9.689 -5.927 -9.609 64 HD3 PRO 12 2HD PRO 12 -10.574 -6.483 -11.044 65 H TYR 13 H TYR 13 -7.578 -4.278 -9.969 66 HA TYR 13 HA TYR 13 -5.758 -2.094 -10.708 67 HB2 TYR 13 1HB TYR 13 -7.098 -2.170 -8.015 68 HB3 TYR 13 2HB TYR 13 -6.248 -0.833 -8.780 69 HD1 TYR 13 HD2 TYR 13 -7.332 0.035 -11.019 70 HD2 TYR 13 HD1 TYR 13 -9.411 -2.179 -8.040 71 HE1 TYR 13 HE2 TYR 13 -9.467 0.915 -11.865 72 HE2 TYR 13 HE1 TYR 13 -11.553 -1.306 -8.878 73 HH TYR 13 HH TYR 13 -11.876 1.294 -10.741 74 H GLN 14 H GLN 14 -3.852 -3.127 -10.652 75 HA GLN 14 HA GLN 14 -3.095 -4.424 -8.130 76 HB2 GLN 14 1HB GLN 14 -3.500 -6.295 -9.503 77 HB3 GLN 14 2HB GLN 14 -2.787 -5.523 -10.913 78 HG2 GLN 14 1HG GLN 14 -0.603 -5.830 -10.112 79 HG3 GLN 14 2HG GLN 14 -1.168 -6.213 -8.486 80 HE21 GLN 14 1HE2 GLN 14 -0.114 -8.171 -8.401 81 HE22 GLN 14 2HE2 GLN 14 -0.603 -9.539 -9.335 82 H CYS 15 H CYS 15 -1.686 -2.959 -7.365 83 HA CYS 15 HA CYS 15 -0.071 -1.234 -8.805 84 HB2 CYS 15 1HB CYS 15 -0.475 -1.009 -6.395 85 HB3 CYS 15 2HB CYS 15 0.484 -2.454 -6.093 86 H SER 16 H SER 16 1.834 -1.377 -9.836 87 HA SER 16 HA SER 16 3.033 -4.030 -10.079 88 HB2 SER 16 1HB SER 16 4.215 -3.091 -12.026 89 HB3 SER 16 2HB SER 16 2.474 -2.841 -12.155 90 HG SER 16 HG SER 16 4.248 -0.892 -11.115 91 H GLU 17 H GLU 17 3.748 -0.803 -8.940 92 HA GLU 17 HA GLU 17 6.467 -0.755 -8.749 93 HB2 GLU 17 1HB GLU 17 4.286 0.312 -7.021 94 HB3 GLU 17 2HB GLU 17 5.930 0.374 -6.400 95 HG2 GLU 17 1HG GLU 17 5.834 2.396 -7.421 96 HG3 GLU 17 2HG GLU 17 6.420 1.420 -8.767 97 H CYS 18 H CYS 18 4.223 -2.524 -6.686 98 HA CYS 18 HA CYS 18 6.530 -3.930 -5.510 99 HB2 CYS 18 1HB CYS 18 5.193 -4.183 -3.429 100 HB3 CYS 18 2HB CYS 18 5.577 -2.505 -3.800 101 H GLY 19 H GLY 19 3.042 -4.143 -6.188 102 HA2 GLY 19 1HA GLY 19 2.331 -6.032 -7.601 103 HA3 GLY 19 2HA GLY 19 3.434 -7.032 -6.669 104 H LYS 20 H LYS 20 1.429 -4.599 -5.173 105 HA LYS 20 HA LYS 20 0.020 -6.727 -3.732 106 HB2 LYS 20 1HB LYS 20 1.166 -5.060 -2.360 107 HB3 LYS 20 2HB LYS 20 0.263 -3.770 -3.144 108 HG2 LYS 20 1HG LYS 20 -1.819 -4.681 -2.226 109 HG3 LYS 20 2HG LYS 20 -0.896 -5.951 -1.419 110 HD2 LYS 20 1HD LYS 20 -0.324 -3.035 -0.967 111 HD3 LYS 20 2HD LYS 20 -1.545 -3.903 -0.033 112 HE2 LYS 20 1HE LYS 20 0.174 -5.525 0.659 113 HE3 LYS 20 2HE LYS 20 1.383 -4.604 -0.235 114 HZ1 LYS 20 3HZ LYS 20 0.403 -2.685 1.280 115 HZ2 LYS 20 1HZ LYS 20 1.668 -3.684 1.795 116 HZ3 LYS 20 2HZ LYS 20 0.085 -3.994 2.303 117 H SER 21 H SER 21 -2.163 -6.967 -3.776 118 HA SER 21 HA SER 21 -3.585 -5.475 -5.847 119 HB2 SER 21 1HB SER 21 -5.341 -7.238 -5.530 120 HB3 SER 21 2HB SER 21 -3.770 -7.876 -6.015 121 HG SER 21 HG SER 21 -3.583 -8.852 -4.148 122 H PHE 22 H PHE 22 -5.852 -4.838 -5.424 123 HA PHE 22 HA PHE 22 -6.466 -4.246 -2.633 124 HB2 PHE 22 1HB PHE 22 -6.407 -2.101 -4.765 125 HB3 PHE 22 2HB PHE 22 -6.890 -1.885 -3.086 126 HD1 PHE 22 HD1 PHE 22 -4.009 -2.858 -5.216 127 HD2 PHE 22 HD2 PHE 22 -5.320 -1.305 -1.476 128 HE1 PHE 22 HE1 PHE 22 -1.680 -2.337 -4.619 129 HE2 PHE 22 HE2 PHE 22 -2.993 -0.781 -0.874 130 HZ PHE 22 HZ PHE 22 -1.169 -1.296 -2.447 131 H SER 23 H SER 23 -8.651 -3.974 -2.203 132 HA SER 23 HA SER 23 -10.453 -5.333 -3.853 133 HB2 SER 23 1HB SER 23 -10.750 -3.556 -1.459 134 HB3 SER 23 2HB SER 23 -12.189 -4.064 -2.343 135 HG SER 23 HG SER 23 -10.567 -5.494 -0.670 136 H GLY 24 H GLY 24 -9.897 -1.860 -3.414 137 HA2 GLY 24 1HA GLY 24 -11.447 -1.410 -5.887 138 HA3 GLY 24 2HA GLY 24 -11.609 -0.348 -4.496 139 H SER 25 H SER 25 -11.035 1.026 -6.577 140 HA SER 25 HA SER 25 -8.216 1.149 -7.166 141 HB2 SER 25 1HB SER 25 -8.810 3.026 -8.618 142 HB3 SER 25 2HB SER 25 -9.912 1.676 -8.886 143 HG SER 25 HG SER 25 -11.514 2.773 -7.968 144 H TYR 26 H TYR 26 -10.563 3.196 -5.460 145 HA TYR 26 HA TYR 26 -9.086 5.366 -4.786 146 HB2 TYR 26 1HB TYR 26 -11.464 4.856 -4.095 147 HB3 TYR 26 2HB TYR 26 -10.799 3.905 -2.772 148 HD1 TYR 26 HD1 TYR 26 -10.992 7.323 -4.184 149 HD2 TYR 26 HD2 TYR 26 -10.028 4.943 -0.791 150 HE1 TYR 26 HE1 TYR 26 -10.834 9.357 -2.810 151 HE2 TYR 26 HE2 TYR 26 -9.868 6.971 0.593 152 HH TYR 26 HH TYR 26 -9.971 9.185 0.633 153 H ARG 27 H ARG 27 -8.904 2.174 -3.285 154 HA ARG 27 HA ARG 27 -7.064 2.922 -1.251 155 HB2 ARG 27 1HB ARG 27 -7.649 0.201 -2.432 156 HB3 ARG 27 2HB ARG 27 -6.745 0.494 -0.953 157 HG2 ARG 27 1HG ARG 27 -9.607 1.324 -1.365 158 HG3 ARG 27 2HG ARG 27 -9.110 -0.189 -0.603 159 HD2 ARG 27 1HD ARG 27 -7.708 1.339 0.947 160 HD3 ARG 27 2HD ARG 27 -8.768 2.623 0.368 161 HE ARG 27 HE ARG 27 -10.424 1.785 1.696 162 HH11 ARG 27 1HH1 ARG 27 -8.008 -0.678 1.232 163 HH12 ARG 27 2HH1 ARG 27 -8.734 -1.785 2.349 164 HH21 ARG 27 1HH2 ARG 27 -11.389 0.337 3.170 165 HH22 ARG 27 2HH2 ARG 27 -10.658 -1.207 3.451 166 H LEU 28 H LEU 28 -6.706 1.472 -4.461 167 HA LEU 28 HA LEU 28 -4.028 0.844 -4.452 168 HB2 LEU 28 1HB LEU 28 -5.668 0.427 -6.290 169 HB3 LEU 28 2HB LEU 28 -5.489 2.116 -6.760 170 HG LEU 28 HG LEU 28 -2.927 1.402 -6.880 171 HD11 LEU 28 1HD1 LEU 28 -3.776 -1.057 -8.107 172 HD12 LEU 28 2HD1 LEU 28 -4.170 -1.049 -6.389 173 HD13 LEU 28 3HD1 LEU 28 -2.509 -0.776 -6.913 174 HD21 LEU 28 3HD2 LEU 28 -3.584 2.253 -8.853 175 HD22 LEU 28 1HD2 LEU 28 -5.151 1.445 -8.798 176 HD23 LEU 28 2HD2 LEU 28 -3.721 0.561 -9.334 177 H THR 29 H THR 29 -5.232 3.834 -5.970 178 HA THR 29 HA THR 29 -2.903 5.193 -6.258 179 HB THR 29 HB THR 29 -5.026 6.103 -7.036 180 HG1 THR 29 HG1 THR 29 -3.074 7.475 -6.226 181 HG21 THR 29 3HG2 THR 29 -5.627 6.981 -4.224 182 HG22 THR 29 1HG2 THR 29 -6.241 5.462 -4.874 183 HG23 THR 29 2HG2 THR 29 -6.689 6.990 -5.632 184 H GLN 30 H GLN 30 -4.954 5.325 -3.344 185 HA GLN 30 HA GLN 30 -3.480 7.020 -1.781 186 HB2 GLN 30 1HB GLN 30 -5.154 4.624 -1.127 187 HB3 GLN 30 2HB GLN 30 -4.283 5.454 0.156 188 HG2 GLN 30 1HG GLN 30 -5.437 7.571 -0.934 189 HG3 GLN 30 2HG GLN 30 -6.598 6.352 -1.460 190 HE21 GLN 30 1HE2 GLN 30 -7.852 5.294 0.055 191 HE22 GLN 30 2HE2 GLN 30 -7.990 5.835 1.690 192 H HIS 31 H HIS 31 -2.887 3.600 -2.396 193 HA HIS 31 HA HIS 31 -0.682 3.447 -0.560 194 HB2 HIS 31 1HB HIS 31 -1.637 1.365 -0.801 195 HB3 HIS 31 2HB HIS 31 -1.974 1.600 -2.513 196 HD1 HIS 31 HD1 HIS 31 0.881 0.758 -0.187 197 HD2 HIS 31 HD2 HIS 31 -0.090 0.571 -4.222 198 HE1 HIS 31 HE1 HIS 31 2.729 -0.566 -1.262 199 H TRP 32 H TRP 32 -0.995 3.441 -4.106 200 HA TRP 32 HA TRP 32 1.551 3.202 -4.950 201 HB2 TRP 32 1HB TRP 32 -0.709 4.902 -5.902 202 HB3 TRP 32 2HB TRP 32 0.876 5.145 -6.630 203 HD1 TRP 32 HD1 TRP 32 -1.048 1.885 -5.727 204 HE1 TRP 32 HE1 TRP 32 -1.054 0.376 -7.812 205 HE3 TRP 32 HE3 TRP 32 1.427 4.969 -8.968 206 HZ2 TRP 32 HZ2 TRP 32 -0.130 0.479 -10.477 207 HZ3 TRP 32 HZ3 TRP 32 1.826 4.188 -11.266 208 HH2 TRP 32 HH2 TRP 32 1.063 1.989 -12.004 209 H ILE 33 H ILE 33 0.173 6.040 -3.392 210 HA ILE 33 HA ILE 33 2.099 7.942 -3.840 211 HB ILE 33 HB ILE 33 0.561 7.405 -1.301 212 HG12 ILE 33 1HG1 ILE 33 0.111 9.590 -3.326 213 HG13 ILE 33 2HG1 ILE 33 -0.624 8.001 -3.503 214 HG21 ILE 33 1HG2 ILE 33 2.639 8.712 -0.901 215 HG22 ILE 33 2HG2 ILE 33 2.046 9.920 -2.040 216 HG23 ILE 33 3HG2 ILE 33 1.159 9.603 -0.549 217 HD11 ILE 33 3HD1 ILE 33 -0.977 9.732 -1.073 218 HD12 ILE 33 1HD1 ILE 33 -2.075 9.738 -2.453 219 HD13 ILE 33 2HD1 ILE 33 -1.866 8.269 -1.498 220 H THR 34 H THR 34 2.119 5.421 -1.339 221 HA THR 34 HA THR 34 4.368 6.069 0.072 222 HB THR 34 HB THR 34 4.675 3.689 0.552 223 HG1 THR 34 HG1 THR 34 3.015 2.300 -0.613 224 HG21 THR 34 3HG2 THR 34 1.730 3.816 0.427 225 HG22 THR 34 1HG2 THR 34 2.522 5.177 1.218 226 HG23 THR 34 2HG2 THR 34 2.796 3.536 1.804 227 H HIS 35 H HIS 35 4.179 4.771 -3.163 228 HA HIS 35 HA HIS 35 6.955 4.087 -3.351 229 HB2 HIS 35 1HB HIS 35 4.807 4.430 -5.449 230 HB3 HIS 35 2HB HIS 35 6.448 3.901 -5.809 231 HD1 HIS 35 HD1 HIS 35 6.884 1.883 -3.551 232 HD2 HIS 35 HD2 HIS 35 3.389 2.137 -5.784 233 HE1 HIS 35 HE1 HIS 35 5.801 -0.379 -3.365 234 H THR 36 H THR 36 4.969 6.854 -4.253 235 HA THR 36 HA THR 36 7.443 8.361 -4.784 236 HB THR 36 HB THR 36 6.270 9.659 -6.509 237 HG1 THR 36 HG1 THR 36 4.151 9.543 -6.319 238 HG21 THR 36 3HG2 THR 36 5.886 7.629 -8.123 239 HG22 THR 36 1HG2 THR 36 6.557 6.697 -6.785 240 HG23 THR 36 2HG2 THR 36 7.503 7.991 -7.521 241 H ARG 37 H ARG 37 7.641 9.685 -3.089 242 HA ARG 37 HA ARG 37 5.258 11.194 -2.231 243 HB2 ARG 37 1HB ARG 37 7.637 10.448 -0.521 244 HB3 ARG 37 2HB ARG 37 6.181 11.278 0.011 245 HG2 ARG 37 1HG ARG 37 4.881 9.358 -0.132 246 HG3 ARG 37 2HG ARG 37 6.030 8.546 -1.198 247 HD2 ARG 37 1HD ARG 37 6.324 7.500 0.872 248 HD3 ARG 37 2HD ARG 37 7.654 8.653 0.773 249 HE ARG 37 HE ARG 37 6.810 9.670 2.625 250 HH11 ARG 37 1HH1 ARG 37 4.235 7.922 1.063 251 HH12 ARG 37 2HH1 ARG 37 3.069 8.283 2.292 252 HH21 ARG 37 1HH2 ARG 37 5.283 10.152 4.250 253 HH22 ARG 37 2HH2 ARG 37 3.666 9.552 4.104 254 H GLU 38 H GLU 38 7.009 11.976 -4.342 255 HA GLU 38 HA GLU 38 8.935 13.858 -3.433 256 HB2 GLU 38 1HB GLU 38 7.547 13.545 -6.098 257 HB3 GLU 38 2HB GLU 38 8.851 14.687 -5.800 258 HG2 GLU 38 1HG GLU 38 8.997 11.687 -5.655 259 HG3 GLU 38 2HG GLU 38 9.747 12.738 -6.856 260 H LYS 39 H LYS 39 8.660 15.849 -2.682 261 HA LYS 39 HA LYS 39 6.251 17.348 -3.420 262 HB2 LYS 39 1HB LYS 39 7.216 16.793 -0.618 263 HB3 LYS 39 2HB LYS 39 6.150 18.140 -0.996 264 HG2 LYS 39 1HG LYS 39 4.395 16.720 -1.624 265 HG3 LYS 39 2HG LYS 39 5.461 15.318 -1.744 266 HD2 LYS 39 1HD LYS 39 5.875 15.743 0.785 267 HD3 LYS 39 2HD LYS 39 4.378 16.674 0.696 268 HE2 LYS 39 1HE LYS 39 4.463 13.913 -0.437 269 HE3 LYS 39 2HE LYS 39 4.333 14.127 1.308 270 HZ1 LYS 39 3HZ LYS 39 2.513 15.789 -0.156 271 HZ2 LYS 39 1HZ LYS 39 2.213 14.732 1.131 272 HZ3 LYS 39 2HZ LYS 39 2.264 14.142 -0.453 273 HA PRO 40 HA PRO 40 9.116 20.635 -4.020 274 HB2 PRO 40 1HB PRO 40 7.403 22.736 -3.865 275 HB3 PRO 40 2HB PRO 40 7.466 21.648 -5.257 276 HG2 PRO 40 1HG PRO 40 5.560 21.661 -2.948 277 HG3 PRO 40 2HG PRO 40 5.225 21.431 -4.674 278 HD2 PRO 40 1HD PRO 40 5.375 19.364 -2.931 279 HD3 PRO 40 2HD PRO 40 5.863 19.216 -4.631 280 H SER 41 H SER 41 6.776 21.033 -1.368 281 HA SER 41 HA SER 41 8.445 22.899 0.039 282 HB2 SER 41 1HB SER 41 5.988 22.980 0.226 283 HB3 SER 41 2HB SER 41 5.996 21.388 0.986 284 HG SER 41 HG SER 41 6.544 22.283 2.805 285 H GLY 42 H GLY 42 9.888 22.520 1.625 286 HA2 GLY 42 1HA GLY 42 11.299 21.365 3.017 287 HA3 GLY 42 2HA GLY 42 9.934 20.305 3.336 288 HA PRO 43 HA PRO 43 13.344 18.381 0.522 289 HB2 PRO 43 1HB PRO 43 15.063 17.372 2.365 290 HB3 PRO 43 2HB PRO 43 15.261 18.973 1.643 291 HG2 PRO 43 1HG PRO 43 14.097 18.223 4.297 292 HG3 PRO 43 2HG PRO 43 15.204 19.549 3.895 293 HD2 PRO 43 1HD PRO 43 12.543 19.924 4.233 294 HD3 PRO 43 2HD PRO 43 13.507 20.891 3.099 295 H SER 44 H SER 44 13.523 16.137 0.170 296 HA SER 44 HA SER 44 11.875 14.477 1.964 297 HB2 SER 44 1HB SER 44 11.302 13.141 -0.085 298 HB3 SER 44 2HB SER 44 10.678 14.791 -0.105 299 HG SER 44 HG SER 44 13.102 13.993 -1.344 300 H SER 45 H SER 45 13.791 13.896 3.117 301 HA SER 45 HA SER 45 15.482 11.973 1.657 302 HB2 SER 45 1HB SER 45 17.368 12.598 2.985 303 HB3 SER 45 2HB SER 45 16.645 14.099 2.406 304 HG SER 45 HG SER 45 16.474 14.641 4.417 305 H GLY 46 H GLY 46 14.188 12.830 4.859 306 HA2 GLY 46 1HA GLY 46 14.800 10.349 6.078 307 HA3 GLY 46 2HA GLY 46 13.637 11.527 6.669 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -5.376 -30.746 -6.766 2 HA2 GLY 1 1HA GLY 1 -7.777 -31.901 -6.608 3 HA3 GLY 1 2HA GLY 1 -6.850 -31.556 -5.156 4 H SER 2 H SER 2 -9.562 -30.661 -7.109 5 HA SER 2 HA SER 2 -11.139 -28.984 -6.879 6 HB2 SER 2 1HB SER 2 -12.413 -29.273 -4.804 7 HB3 SER 2 2HB SER 2 -11.920 -30.838 -5.452 8 HG SER 2 HG SER 2 -10.903 -31.177 -3.658 9 H SER 3 H SER 3 -8.641 -27.809 -6.703 10 HA SER 3 HA SER 3 -9.056 -25.793 -4.593 11 HB2 SER 3 1HB SER 3 -7.001 -27.286 -4.348 12 HB3 SER 3 2HB SER 3 -6.371 -26.487 -5.788 13 HG SER 3 HG SER 3 -7.204 -25.129 -3.439 14 H GLY 4 H GLY 4 -10.285 -24.460 -5.954 15 HA2 GLY 4 1HA GLY 4 -8.734 -22.681 -7.579 16 HA3 GLY 4 2HA GLY 4 -9.796 -23.697 -8.543 17 H SER 5 H SER 5 -9.738 -21.344 -5.906 18 HA SER 5 HA SER 5 -12.388 -20.938 -5.422 19 HB2 SER 5 1HB SER 5 -10.051 -19.065 -5.503 20 HB3 SER 5 2HB SER 5 -11.668 -18.414 -5.236 21 HG SER 5 HG SER 5 -10.889 -18.884 -3.241 22 H SER 6 H SER 6 -13.792 -19.094 -6.144 23 HA SER 6 HA SER 6 -13.862 -19.069 -9.071 24 HB2 SER 6 1HB SER 6 -16.179 -18.579 -8.906 25 HB3 SER 6 2HB SER 6 -15.865 -19.782 -7.655 26 HG SER 6 HG SER 6 -15.483 -17.646 -6.376 27 H GLY 7 H GLY 7 -13.359 -17.314 -10.209 28 HA2 GLY 7 1HA GLY 7 -12.549 -15.193 -10.624 29 HA3 GLY 7 2HA GLY 7 -14.018 -14.708 -9.789 30 H GLU 8 H GLU 8 -10.614 -15.530 -9.313 31 HA GLU 8 HA GLU 8 -10.223 -13.402 -7.481 32 HB2 GLU 8 1HB GLU 8 -11.332 -14.756 -5.864 33 HB3 GLU 8 2HB GLU 8 -10.444 -16.191 -6.357 34 HG2 GLU 8 1HG GLU 8 -8.451 -15.422 -5.370 35 HG3 GLU 8 2HG GLU 8 -9.089 -13.791 -5.172 36 H GLY 9 H GLY 9 -8.176 -12.786 -7.717 37 HA2 GLY 9 1HA GLY 9 -5.825 -13.819 -7.391 38 HA3 GLY 9 2HA GLY 9 -6.268 -14.729 -8.827 39 H GLU 10 H GLU 10 -7.355 -13.025 -10.516 40 HA GLU 10 HA GLU 10 -5.245 -11.017 -10.929 41 HB2 GLU 10 1HB GLU 10 -6.840 -12.731 -12.769 42 HB3 GLU 10 2HB GLU 10 -6.358 -11.142 -13.345 43 HG2 GLU 10 1HG GLU 10 -3.995 -11.806 -12.619 44 HG3 GLU 10 2HG GLU 10 -4.627 -13.450 -12.549 45 H LYS 11 H LYS 11 -5.906 -9.101 -10.189 46 HA LYS 11 HA LYS 11 -8.636 -8.218 -10.862 47 HB2 LYS 11 1HB LYS 11 -6.883 -7.296 -8.577 48 HB3 LYS 11 2HB LYS 11 -8.513 -6.730 -8.918 49 HG2 LYS 11 1HG LYS 11 -9.420 -8.911 -8.447 50 HG3 LYS 11 2HG LYS 11 -7.798 -9.574 -8.237 51 HD2 LYS 11 1HD LYS 11 -8.334 -9.196 -6.050 52 HD3 LYS 11 2HD LYS 11 -7.632 -7.626 -6.449 53 HE2 LYS 11 1HE LYS 11 -10.566 -8.329 -6.438 54 HE3 LYS 11 2HE LYS 11 -9.722 -7.346 -5.242 55 HZ1 LYS 11 3HZ LYS 11 -9.131 -5.858 -7.198 56 HZ2 LYS 11 1HZ LYS 11 -10.736 -5.822 -6.663 57 HZ3 LYS 11 2HZ LYS 11 -10.329 -6.687 -8.058 58 HA PRO 12 HA PRO 12 -6.905 -5.041 -13.364 59 HB2 PRO 12 1HB PRO 12 -8.920 -3.225 -13.248 60 HB3 PRO 12 2HB PRO 12 -9.030 -4.724 -14.179 61 HG2 PRO 12 1HG PRO 12 -10.120 -4.097 -11.462 62 HG3 PRO 12 2HG PRO 12 -10.890 -4.963 -12.804 63 HD2 PRO 12 1HD PRO 12 -9.774 -6.242 -10.694 64 HD3 PRO 12 2HD PRO 12 -9.790 -6.933 -12.330 65 H TYR 13 H TYR 13 -7.825 -4.477 -10.072 66 HA TYR 13 HA TYR 13 -6.470 -1.881 -10.032 67 HB2 TYR 13 1HB TYR 13 -8.152 -3.283 -7.946 68 HB3 TYR 13 2HB TYR 13 -7.384 -1.716 -7.716 69 HD1 TYR 13 HD2 TYR 13 -7.884 -0.213 -10.066 70 HD2 TYR 13 HD1 TYR 13 -10.431 -3.050 -8.177 71 HE1 TYR 13 HE2 TYR 13 -9.844 0.897 -11.055 72 HE2 TYR 13 HE1 TYR 13 -12.398 -1.948 -9.161 73 HH TYR 13 HH TYR 13 -12.655 0.841 -10.123 74 H GLN 14 H GLN 14 -4.671 -3.791 -10.504 75 HA GLN 14 HA GLN 14 -3.431 -4.397 -7.906 76 HB2 GLN 14 1HB GLN 14 -3.867 -6.356 -9.320 77 HB3 GLN 14 2HB GLN 14 -2.920 -5.638 -10.616 78 HG2 GLN 14 1HG GLN 14 -0.967 -5.640 -9.014 79 HG3 GLN 14 2HG GLN 14 -1.957 -6.647 -7.958 80 HE21 GLN 14 1HE2 GLN 14 -0.012 -8.048 -8.364 81 HE22 GLN 14 2HE2 GLN 14 -0.096 -9.132 -9.706 82 H CYS 15 H CYS 15 -1.480 -3.577 -7.387 83 HA CYS 15 HA CYS 15 -0.432 -1.449 -9.014 84 HB2 CYS 15 1HB CYS 15 -0.397 -1.052 -6.675 85 HB3 CYS 15 2HB CYS 15 0.357 -2.609 -6.346 86 H SER 16 H SER 16 1.804 -1.292 -9.681 87 HA SER 16 HA SER 16 2.907 -3.916 -10.436 88 HB2 SER 16 1HB SER 16 2.225 -2.569 -12.360 89 HB3 SER 16 2HB SER 16 3.226 -1.230 -11.799 90 HG SER 16 HG SER 16 4.961 -2.990 -11.903 91 H GLU 17 H GLU 17 3.741 -0.678 -9.289 92 HA GLU 17 HA GLU 17 6.431 -0.675 -9.158 93 HB2 GLU 17 1HB GLU 17 4.401 0.238 -7.142 94 HB3 GLU 17 2HB GLU 17 6.120 0.427 -6.826 95 HG2 GLU 17 1HG GLU 17 5.481 2.465 -7.734 96 HG3 GLU 17 2HG GLU 17 6.225 1.611 -9.084 97 H CYS 18 H CYS 18 4.328 -2.283 -6.780 98 HA CYS 18 HA CYS 18 6.662 -3.867 -5.926 99 HB2 CYS 18 1HB CYS 18 5.588 -4.081 -3.729 100 HB3 CYS 18 2HB CYS 18 5.860 -2.392 -4.142 101 H GLY 19 H GLY 19 3.137 -3.931 -6.369 102 HA2 GLY 19 1HA GLY 19 2.206 -5.759 -7.698 103 HA3 GLY 19 2HA GLY 19 3.377 -6.821 -6.929 104 H LYS 20 H LYS 20 0.745 -4.592 -6.026 105 HA LYS 20 HA LYS 20 -0.228 -6.654 -4.169 106 HB2 LYS 20 1HB LYS 20 1.040 -4.627 -3.122 107 HB3 LYS 20 2HB LYS 20 -0.440 -3.744 -3.476 108 HG2 LYS 20 1HG LYS 20 -1.672 -4.915 -1.934 109 HG3 LYS 20 2HG LYS 20 -0.610 -6.323 -1.995 110 HD2 LYS 20 1HD LYS 20 1.159 -4.864 -0.918 111 HD3 LYS 20 2HD LYS 20 -0.123 -3.685 -0.630 112 HE2 LYS 20 1HE LYS 20 -0.581 -6.498 0.216 113 HE3 LYS 20 2HE LYS 20 0.528 -5.515 1.171 114 HZ1 LYS 20 3HZ LYS 20 -2.215 -5.549 1.348 115 HZ2 LYS 20 1HZ LYS 20 -1.856 -4.087 0.578 116 HZ3 LYS 20 2HZ LYS 20 -1.168 -4.442 2.082 117 H SER 21 H SER 21 -2.389 -6.984 -4.174 118 HA SER 21 HA SER 21 -3.935 -5.562 -6.186 119 HB2 SER 21 1HB SER 21 -4.586 -7.993 -4.505 120 HB3 SER 21 2HB SER 21 -5.653 -7.313 -5.734 121 HG SER 21 HG SER 21 -4.587 -8.621 -6.998 122 H PHE 22 H PHE 22 -6.090 -4.768 -5.732 123 HA PHE 22 HA PHE 22 -6.722 -4.190 -2.951 124 HB2 PHE 22 1HB PHE 22 -6.165 -2.054 -5.011 125 HB3 PHE 22 2HB PHE 22 -7.060 -1.746 -3.526 126 HD1 PHE 22 HD1 PHE 22 -3.786 -2.558 -4.952 127 HD2 PHE 22 HD2 PHE 22 -5.952 -1.664 -1.398 128 HE1 PHE 22 HE1 PHE 22 -1.667 -2.186 -3.758 129 HE2 PHE 22 HE2 PHE 22 -3.837 -1.290 -0.199 130 HZ PHE 22 HZ PHE 22 -1.690 -1.550 -1.379 131 H SER 23 H SER 23 -8.883 -3.913 -2.573 132 HA SER 23 HA SER 23 -10.655 -4.646 -4.742 133 HB2 SER 23 1HB SER 23 -10.893 -4.440 -1.770 134 HB3 SER 23 2HB SER 23 -12.366 -4.380 -2.737 135 HG SER 23 HG SER 23 -11.779 -6.382 -3.639 136 H GLY 24 H GLY 24 -9.617 -2.227 -5.348 137 HA2 GLY 24 1HA GLY 24 -11.694 -0.634 -6.043 138 HA3 GLY 24 2HA GLY 24 -11.324 -0.093 -4.413 139 H SER 25 H SER 25 -11.142 1.567 -6.659 140 HA SER 25 HA SER 25 -8.376 1.733 -7.466 141 HB2 SER 25 1HB SER 25 -9.088 3.713 -8.732 142 HB3 SER 25 2HB SER 25 -10.176 2.357 -9.027 143 HG SER 25 HG SER 25 -11.595 3.878 -8.563 144 H TYR 26 H TYR 26 -10.578 3.574 -5.390 145 HA TYR 26 HA TYR 26 -8.951 5.700 -4.716 146 HB2 TYR 26 1HB TYR 26 -11.208 5.732 -3.978 147 HB3 TYR 26 2HB TYR 26 -11.024 4.214 -3.106 148 HD1 TYR 26 HD1 TYR 26 -10.021 7.784 -3.108 149 HD2 TYR 26 HD2 TYR 26 -10.327 4.188 -0.853 150 HE1 TYR 26 HE1 TYR 26 -9.500 9.034 -1.054 151 HE2 TYR 26 HE2 TYR 26 -9.809 5.429 1.206 152 HH TYR 26 HH TYR 26 -9.496 7.443 2.113 153 H ARG 27 H ARG 27 -9.159 2.525 -3.126 154 HA ARG 27 HA ARG 27 -7.249 3.010 -1.134 155 HB2 ARG 27 1HB ARG 27 -8.241 0.490 -2.446 156 HB3 ARG 27 2HB ARG 27 -7.003 0.448 -1.198 157 HG2 ARG 27 1HG ARG 27 -8.690 1.815 0.198 158 HG3 ARG 27 2HG ARG 27 -9.875 1.247 -0.980 159 HD2 ARG 27 1HD ARG 27 -8.790 -1.088 -0.467 160 HD3 ARG 27 2HD ARG 27 -8.295 -0.293 1.027 161 HE ARG 27 HE ARG 27 -10.990 0.225 0.736 162 HH11 ARG 27 1HH1 ARG 27 -8.953 -2.579 1.063 163 HH12 ARG 27 2HH1 ARG 27 -10.166 -3.530 1.854 164 HH21 ARG 27 1HH2 ARG 27 -12.596 -1.016 1.777 165 HH22 ARG 27 2HH2 ARG 27 -12.238 -2.640 2.259 166 H LEU 28 H LEU 28 -6.909 1.650 -4.390 167 HA LEU 28 HA LEU 28 -4.258 0.897 -4.338 168 HB2 LEU 28 1HB LEU 28 -5.914 0.597 -6.207 169 HB3 LEU 28 2HB LEU 28 -5.586 2.266 -6.668 170 HG LEU 28 HG LEU 28 -3.101 1.409 -6.774 171 HD11 LEU 28 1HD1 LEU 28 -4.716 -1.058 -6.629 172 HD12 LEU 28 2HD1 LEU 28 -3.039 -0.766 -6.171 173 HD13 LEU 28 3HD1 LEU 28 -3.460 -1.010 -7.866 174 HD21 LEU 28 3HD2 LEU 28 -4.140 0.372 -9.155 175 HD22 LEU 28 1HD2 LEU 28 -3.550 2.009 -8.864 176 HD23 LEU 28 2HD2 LEU 28 -5.262 1.639 -8.657 177 H THR 29 H THR 29 -5.509 4.062 -5.412 178 HA THR 29 HA THR 29 -3.179 5.382 -5.919 179 HB THR 29 HB THR 29 -5.491 6.633 -4.428 180 HG1 THR 29 HG1 THR 29 -5.133 6.237 -7.231 181 HG21 THR 29 3HG2 THR 29 -3.978 8.060 -6.536 182 HG22 THR 29 1HG2 THR 29 -3.142 7.790 -5.007 183 HG23 THR 29 2HG2 THR 29 -4.672 8.666 -5.033 184 H GLN 30 H GLN 30 -4.806 5.345 -2.741 185 HA GLN 30 HA GLN 30 -2.924 6.731 -1.285 186 HB2 GLN 30 1HB GLN 30 -4.585 4.380 -0.362 187 HB3 GLN 30 2HB GLN 30 -3.777 5.530 0.696 188 HG2 GLN 30 1HG GLN 30 -5.842 6.349 -1.324 189 HG3 GLN 30 2HG GLN 30 -6.244 5.882 0.327 190 HE21 GLN 30 1HE2 GLN 30 -7.029 7.889 0.881 191 HE22 GLN 30 2HE2 GLN 30 -6.010 9.270 1.085 192 H HIS 31 H HIS 31 -2.950 3.311 -2.151 193 HA HIS 31 HA HIS 31 -0.666 2.618 -0.598 194 HB2 HIS 31 1HB HIS 31 -1.907 0.743 -1.090 195 HB3 HIS 31 2HB HIS 31 -2.292 1.293 -2.718 196 HD1 HIS 31 HD1 HIS 31 0.828 0.145 -0.852 197 HD2 HIS 31 HD2 HIS 31 -0.954 -0.103 -4.597 198 HE1 HIS 31 HE1 HIS 31 2.343 -1.322 -2.222 199 H TRP 32 H TRP 32 -1.147 3.924 -3.785 200 HA TRP 32 HA TRP 32 1.458 3.319 -4.782 201 HB2 TRP 32 1HB TRP 32 -0.799 5.078 -5.666 202 HB3 TRP 32 2HB TRP 32 0.785 5.266 -6.413 203 HD1 TRP 32 HD1 TRP 32 -1.030 1.969 -5.469 204 HE1 TRP 32 HE1 TRP 32 -1.214 0.532 -7.596 205 HE3 TRP 32 HE3 TRP 32 0.978 5.247 -8.840 206 HZ2 TRP 32 HZ2 TRP 32 -0.590 0.758 -10.340 207 HZ3 TRP 32 HZ3 TRP 32 1.149 4.559 -11.196 208 HH2 TRP 32 HH2 TRP 32 0.381 2.360 -11.928 209 H ILE 33 H ILE 33 0.270 5.607 -2.579 210 HA ILE 33 HA ILE 33 1.901 7.825 -3.038 211 HB ILE 33 HB ILE 33 0.885 6.746 -0.406 212 HG12 ILE 33 1HG1 ILE 33 -0.874 7.297 -2.050 213 HG13 ILE 33 2HG1 ILE 33 -0.900 8.389 -0.669 214 HG21 ILE 33 1HG2 ILE 33 1.991 8.365 0.633 215 HG22 ILE 33 2HG2 ILE 33 2.764 8.792 -0.893 216 HG23 ILE 33 3HG2 ILE 33 1.257 9.575 -0.419 217 HD11 ILE 33 3HD1 ILE 33 0.682 9.781 -2.331 218 HD12 ILE 33 1HD1 ILE 33 -0.323 8.927 -3.501 219 HD13 ILE 33 2HD1 ILE 33 -1.073 9.949 -2.274 220 H THR 34 H THR 34 2.491 4.942 -1.049 221 HA THR 34 HA THR 34 4.967 5.671 0.001 222 HB THR 34 HB THR 34 3.573 3.657 0.651 223 HG1 THR 34 HG1 THR 34 5.483 2.450 1.178 224 HG21 THR 34 3HG2 THR 34 5.107 2.129 -1.409 225 HG22 THR 34 1HG2 THR 34 3.580 2.890 -1.853 226 HG23 THR 34 2HG2 THR 34 3.624 1.691 -0.561 227 H HIS 35 H HIS 35 4.124 4.990 -3.210 228 HA HIS 35 HA HIS 35 6.811 4.167 -3.984 229 HB2 HIS 35 1HB HIS 35 4.316 4.579 -5.646 230 HB3 HIS 35 2HB HIS 35 5.846 3.951 -6.251 231 HD1 HIS 35 HD1 HIS 35 6.438 1.983 -3.900 232 HD2 HIS 35 HD2 HIS 35 2.806 2.308 -5.890 233 HE1 HIS 35 HE1 HIS 35 5.286 -0.226 -3.560 234 H THR 36 H THR 36 5.664 6.978 -3.102 235 HA THR 36 HA THR 36 7.566 8.501 -4.553 236 HB THR 36 HB THR 36 6.095 8.537 -6.397 237 HG1 THR 36 HG1 THR 36 5.499 10.732 -6.463 238 HG21 THR 36 3HG2 THR 36 4.130 7.766 -4.825 239 HG22 THR 36 1HG2 THR 36 3.795 8.603 -6.340 240 HG23 THR 36 2HG2 THR 36 3.751 9.488 -4.814 241 H ARG 37 H ARG 37 8.275 9.554 -2.801 242 HA ARG 37 HA ARG 37 6.323 11.155 -1.291 243 HB2 ARG 37 1HB ARG 37 8.363 9.238 -0.280 244 HB3 ARG 37 2HB ARG 37 8.114 10.718 0.636 245 HG2 ARG 37 1HG ARG 37 5.807 8.977 -0.145 246 HG3 ARG 37 2HG ARG 37 6.775 8.635 1.291 247 HD2 ARG 37 1HD ARG 37 6.339 11.148 1.835 248 HD3 ARG 37 2HD ARG 37 4.994 10.962 0.710 249 HE ARG 37 HE ARG 37 5.058 8.912 2.705 250 HH11 ARG 37 1HH1 ARG 37 4.073 12.185 2.043 251 HH12 ARG 37 2HH1 ARG 37 2.818 12.187 3.238 252 HH21 ARG 37 1HH2 ARG 37 3.408 8.902 4.280 253 HH22 ARG 37 2HH2 ARG 37 2.441 10.320 4.510 254 H GLU 38 H GLU 38 7.838 12.638 0.288 255 HA GLU 38 HA GLU 38 9.433 14.199 -1.600 256 HB2 GLU 38 1HB GLU 38 8.253 14.854 1.100 257 HB3 GLU 38 2HB GLU 38 9.327 15.942 0.232 258 HG2 GLU 38 1HG GLU 38 7.776 16.301 -1.477 259 HG3 GLU 38 2HG GLU 38 6.819 14.891 -1.023 260 H LYS 39 H LYS 39 11.521 13.700 -1.667 261 HA LYS 39 HA LYS 39 12.884 12.936 0.823 262 HB2 LYS 39 1HB LYS 39 13.544 12.443 -2.078 263 HB3 LYS 39 2HB LYS 39 14.702 12.158 -0.786 264 HG2 LYS 39 1HG LYS 39 11.986 10.892 -0.758 265 HG3 LYS 39 2HG LYS 39 13.336 10.175 -1.641 266 HD2 LYS 39 1HD LYS 39 14.638 10.346 0.547 267 HD3 LYS 39 2HD LYS 39 13.080 10.662 1.316 268 HE2 LYS 39 1HE LYS 39 13.501 8.272 -0.449 269 HE3 LYS 39 2HE LYS 39 13.944 8.241 1.257 270 HZ1 LYS 39 3HZ LYS 39 11.648 8.836 1.802 271 HZ2 LYS 39 1HZ LYS 39 11.730 7.376 0.951 272 HZ3 LYS 39 2HZ LYS 39 11.238 8.788 0.161 273 HA PRO 40 HA PRO 40 15.128 16.715 0.927 274 HB2 PRO 40 1HB PRO 40 17.377 15.889 2.204 275 HB3 PRO 40 2HB PRO 40 15.823 16.082 3.024 276 HG2 PRO 40 1HG PRO 40 17.120 13.592 1.986 277 HG3 PRO 40 2HG PRO 40 16.268 13.854 3.519 278 HD2 PRO 40 1HD PRO 40 15.105 12.643 1.394 279 HD3 PRO 40 2HD PRO 40 14.190 13.637 2.545 280 H SER 41 H SER 41 16.357 13.912 -0.665 281 HA SER 41 HA SER 41 18.161 13.586 -2.078 282 HB2 SER 41 1HB SER 41 17.959 15.142 -4.070 283 HB3 SER 41 2HB SER 41 16.476 14.303 -3.614 284 HG SER 41 HG SER 41 17.188 16.993 -3.073 285 H GLY 42 H GLY 42 19.291 14.633 0.091 286 HA2 GLY 42 1HA GLY 42 21.627 15.848 -0.849 287 HA3 GLY 42 2HA GLY 42 20.589 17.119 -0.219 288 HA PRO 43 HA PRO 43 23.134 15.616 3.311 289 HB2 PRO 43 1HB PRO 43 23.518 18.087 4.368 290 HB3 PRO 43 2HB PRO 43 24.543 17.418 3.094 291 HG2 PRO 43 1HG PRO 43 22.261 19.342 2.873 292 HG3 PRO 43 2HG PRO 43 23.835 19.375 2.057 293 HD2 PRO 43 1HD PRO 43 21.583 18.494 0.840 294 HD3 PRO 43 2HD PRO 43 23.189 17.832 0.473 295 H SER 44 H SER 44 22.084 14.853 5.026 296 HA SER 44 HA SER 44 19.695 16.283 5.974 297 HB2 SER 44 1HB SER 44 20.479 13.392 5.940 298 HB3 SER 44 2HB SER 44 19.347 13.963 7.165 299 HG SER 44 HG SER 44 18.142 13.344 5.419 300 H SER 45 H SER 45 19.260 15.980 8.369 301 HA SER 45 HA SER 45 21.296 17.185 9.854 302 HB2 SER 45 1HB SER 45 18.850 15.664 10.783 303 HB3 SER 45 2HB SER 45 19.880 16.625 11.845 304 HG SER 45 HG SER 45 18.118 17.454 9.834 305 H GLY 46 H GLY 46 23.185 16.316 10.389 306 HA2 GLY 46 1HA GLY 46 23.360 13.971 11.982 307 HA3 GLY 46 2HA GLY 46 23.856 13.625 10.332 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -3.451 -31.467 -12.766 2 HA2 GLY 1 1HA GLY 1 -2.970 -29.746 -14.212 3 HA3 GLY 1 2HA GLY 1 -3.766 -28.737 -13.013 4 H SER 2 H SER 2 -0.920 -29.285 -14.653 5 HA SER 2 HA SER 2 0.511 -27.465 -12.863 6 HB2 SER 2 1HB SER 2 2.513 -28.786 -12.846 7 HB3 SER 2 2HB SER 2 1.189 -29.846 -12.359 8 HG SER 2 HG SER 2 1.147 -30.658 -14.485 9 H SER 3 H SER 3 2.632 -26.751 -13.960 10 HA SER 3 HA SER 3 3.534 -25.498 -15.637 11 HB2 SER 3 1HB SER 3 2.549 -27.822 -17.312 12 HB3 SER 3 2HB SER 3 3.753 -26.635 -17.815 13 HG SER 3 HG SER 3 5.163 -27.427 -16.331 14 H GLY 4 H GLY 4 0.983 -24.670 -14.917 15 HA2 GLY 4 1HA GLY 4 0.266 -23.089 -17.157 16 HA3 GLY 4 2HA GLY 4 -0.889 -24.399 -16.958 17 H SER 5 H SER 5 -2.665 -23.370 -16.240 18 HA SER 5 HA SER 5 -2.374 -21.718 -13.815 19 HB2 SER 5 1HB SER 5 -4.487 -20.581 -14.556 20 HB3 SER 5 2HB SER 5 -3.114 -20.317 -15.631 21 HG SER 5 HG SER 5 -4.004 -22.140 -16.871 22 H SER 6 H SER 6 -3.975 -21.910 -12.203 23 HA SER 6 HA SER 6 -5.056 -24.572 -11.973 24 HB2 SER 6 1HB SER 6 -4.029 -23.437 -10.033 25 HB3 SER 6 2HB SER 6 -5.297 -22.213 -10.089 26 HG SER 6 HG SER 6 -5.963 -24.940 -9.897 27 H GLY 7 H GLY 7 -6.341 -21.281 -12.251 28 HA2 GLY 7 1HA GLY 7 -8.700 -22.187 -13.566 29 HA3 GLY 7 2HA GLY 7 -9.038 -21.771 -11.892 30 H GLU 8 H GLU 8 -9.394 -19.693 -11.384 31 HA GLU 8 HA GLU 8 -8.634 -17.640 -13.349 32 HB2 GLU 8 1HB GLU 8 -10.766 -16.523 -13.051 33 HB3 GLU 8 2HB GLU 8 -11.033 -18.177 -13.583 34 HG2 GLU 8 1HG GLU 8 -11.249 -18.652 -11.023 35 HG3 GLU 8 2HG GLU 8 -11.585 -16.924 -10.941 36 H GLY 9 H GLY 9 -8.186 -15.576 -12.516 37 HA2 GLY 9 1HA GLY 9 -8.522 -14.788 -9.846 38 HA3 GLY 9 2HA GLY 9 -6.935 -15.528 -9.996 39 H GLU 10 H GLU 10 -8.949 -13.199 -11.802 40 HA GLU 10 HA GLU 10 -6.521 -11.594 -12.236 41 HB2 GLU 10 1HB GLU 10 -7.485 -10.744 -14.212 42 HB3 GLU 10 2HB GLU 10 -7.845 -12.464 -14.230 43 HG2 GLU 10 1HG GLU 10 -10.093 -11.882 -13.250 44 HG3 GLU 10 2HG GLU 10 -9.704 -10.196 -13.587 45 H LYS 11 H LYS 11 -6.383 -9.570 -11.462 46 HA LYS 11 HA LYS 11 -8.709 -8.532 -9.988 47 HB2 LYS 11 1HB LYS 11 -7.131 -7.271 -8.636 48 HB3 LYS 11 2HB LYS 11 -6.695 -8.975 -8.635 49 HG2 LYS 11 1HG LYS 11 -5.146 -8.227 -10.632 50 HG3 LYS 11 2HG LYS 11 -5.291 -6.654 -9.843 51 HD2 LYS 11 1HD LYS 11 -3.407 -7.567 -8.838 52 HD3 LYS 11 2HD LYS 11 -4.688 -7.945 -7.684 53 HE2 LYS 11 1HE LYS 11 -3.285 -9.884 -8.004 54 HE3 LYS 11 2HE LYS 11 -4.883 -10.191 -8.682 55 HZ1 LYS 11 3HZ LYS 11 -2.556 -10.602 -9.973 56 HZ2 LYS 11 1HZ LYS 11 -3.003 -9.080 -10.562 57 HZ3 LYS 11 2HZ LYS 11 -4.054 -10.394 -10.731 58 HA PRO 12 HA PRO 12 -9.074 -5.192 -12.832 59 HB2 PRO 12 1HB PRO 12 -10.322 -3.392 -11.228 60 HB3 PRO 12 2HB PRO 12 -11.136 -4.814 -11.892 61 HG2 PRO 12 1HG PRO 12 -9.964 -4.401 -9.168 62 HG3 PRO 12 2HG PRO 12 -11.501 -5.161 -9.622 63 HD2 PRO 12 1HD PRO 12 -9.296 -6.600 -8.989 64 HD3 PRO 12 2HD PRO 12 -10.495 -7.160 -10.172 65 H TYR 13 H TYR 13 -7.382 -4.886 -9.825 66 HA TYR 13 HA TYR 13 -5.750 -2.753 -10.978 67 HB2 TYR 13 1HB TYR 13 -6.776 -2.582 -8.143 68 HB3 TYR 13 2HB TYR 13 -5.851 -1.371 -9.023 69 HD1 TYR 13 HD2 TYR 13 -6.934 -0.142 -10.917 70 HD2 TYR 13 HD1 TYR 13 -9.139 -2.687 -8.315 71 HE1 TYR 13 HE2 TYR 13 -9.024 0.925 -11.653 72 HE2 TYR 13 HE1 TYR 13 -11.235 -1.628 -9.046 73 HH TYR 13 HH TYR 13 -11.228 1.005 -11.434 74 H GLN 14 H GLN 14 -3.686 -3.306 -10.843 75 HA GLN 14 HA GLN 14 -2.784 -4.886 -8.534 76 HB2 GLN 14 1HB GLN 14 -3.069 -6.366 -10.498 77 HB3 GLN 14 2HB GLN 14 -1.946 -5.357 -11.400 78 HG2 GLN 14 1HG GLN 14 -0.223 -5.881 -9.660 79 HG3 GLN 14 2HG GLN 14 -1.357 -7.054 -8.992 80 HE21 GLN 14 1HE2 GLN 14 1.105 -7.853 -9.838 81 HE22 GLN 14 2HE2 GLN 14 0.955 -8.807 -11.271 82 H CYS 15 H CYS 15 -1.414 -3.637 -7.456 83 HA CYS 15 HA CYS 15 -0.071 -1.411 -8.539 84 HB2 CYS 15 1HB CYS 15 -0.628 -1.785 -6.110 85 HB3 CYS 15 2HB CYS 15 0.708 -2.930 -6.046 86 H SER 16 H SER 16 1.317 -1.703 -10.186 87 HA SER 16 HA SER 16 3.019 -3.953 -10.466 88 HB2 SER 16 1HB SER 16 2.210 -2.467 -12.340 89 HB3 SER 16 2HB SER 16 3.367 -1.255 -11.789 90 HG SER 16 HG SER 16 4.514 -2.353 -13.243 91 H GLU 17 H GLU 17 3.514 -0.671 -9.253 92 HA GLU 17 HA GLU 17 6.165 -0.384 -9.013 93 HB2 GLU 17 1HB GLU 17 4.172 0.082 -6.788 94 HB3 GLU 17 2HB GLU 17 5.799 0.747 -6.834 95 HG2 GLU 17 1HG GLU 17 3.852 1.269 -9.046 96 HG3 GLU 17 2HG GLU 17 3.844 2.231 -7.569 97 H CYS 18 H CYS 18 4.289 -2.073 -6.488 98 HA CYS 18 HA CYS 18 6.747 -3.489 -5.721 99 HB2 CYS 18 1HB CYS 18 5.505 -4.004 -3.608 100 HB3 CYS 18 2HB CYS 18 5.774 -2.286 -3.880 101 H GLY 19 H GLY 19 3.283 -4.020 -6.319 102 HA2 GLY 19 1HA GLY 19 2.752 -5.923 -7.806 103 HA3 GLY 19 2HA GLY 19 3.934 -6.847 -6.889 104 H LYS 20 H LYS 20 1.437 -4.648 -5.676 105 HA LYS 20 HA LYS 20 0.337 -6.900 -4.137 106 HB2 LYS 20 1HB LYS 20 1.290 -4.755 -3.018 107 HB3 LYS 20 2HB LYS 20 -0.218 -4.011 -3.534 108 HG2 LYS 20 1HG LYS 20 -1.478 -5.207 -2.060 109 HG3 LYS 20 2HG LYS 20 -0.367 -6.579 -2.050 110 HD2 LYS 20 1HD LYS 20 0.532 -3.967 -0.920 111 HD3 LYS 20 2HD LYS 20 -0.550 -4.989 0.029 112 HE2 LYS 20 1HE LYS 20 2.018 -5.986 -1.186 113 HE3 LYS 20 2HE LYS 20 1.922 -5.308 0.439 114 HZ1 LYS 20 3HZ LYS 20 0.106 -7.491 -0.321 115 HZ2 LYS 20 1HZ LYS 20 0.709 -7.079 1.206 116 HZ3 LYS 20 2HZ LYS 20 1.709 -7.852 0.082 117 H SER 21 H SER 21 -2.087 -6.331 -3.499 118 HA SER 21 HA SER 21 -3.514 -5.450 -5.913 119 HB2 SER 21 1HB SER 21 -3.519 -7.865 -6.012 120 HB3 SER 21 2HB SER 21 -4.038 -7.976 -4.331 121 HG SER 21 HG SER 21 -5.579 -6.630 -6.279 122 H PHE 22 H PHE 22 -5.655 -4.685 -5.558 123 HA PHE 22 HA PHE 22 -6.616 -4.389 -2.847 124 HB2 PHE 22 1HB PHE 22 -5.761 -1.988 -4.475 125 HB3 PHE 22 2HB PHE 22 -6.751 -1.896 -3.022 126 HD1 PHE 22 HD2 PHE 22 -5.797 -2.359 -0.835 127 HD2 PHE 22 HD1 PHE 22 -3.410 -2.471 -4.358 128 HE1 PHE 22 HE2 PHE 22 -3.763 -2.289 0.546 129 HE2 PHE 22 HE1 PHE 22 -1.371 -2.402 -2.982 130 HZ PHE 22 HZ PHE 22 -1.546 -2.310 -0.527 131 H SER 23 H SER 23 -8.773 -4.427 -2.822 132 HA SER 23 HA SER 23 -10.196 -4.460 -5.340 133 HB2 SER 23 1HB SER 23 -11.192 -4.848 -2.507 134 HB3 SER 23 2HB SER 23 -12.142 -5.118 -3.968 135 HG SER 23 HG SER 23 -9.687 -6.425 -3.760 136 H GLY 24 H GLY 24 -9.230 -1.979 -5.114 137 HA2 GLY 24 1HA GLY 24 -11.627 -0.388 -5.026 138 HA3 GLY 24 2HA GLY 24 -10.502 -0.007 -3.730 139 H SER 25 H SER 25 -11.482 1.394 -6.278 140 HA SER 25 HA SER 25 -9.145 1.707 -7.898 141 HB2 SER 25 1HB SER 25 -10.404 3.381 -9.090 142 HB3 SER 25 2HB SER 25 -11.495 2.047 -8.716 143 HG SER 25 HG SER 25 -11.773 4.597 -8.082 144 H TYR 26 H TYR 26 -10.664 3.557 -5.301 145 HA TYR 26 HA TYR 26 -8.726 5.683 -5.451 146 HB2 TYR 26 1HB TYR 26 -11.018 6.153 -4.730 147 HB3 TYR 26 2HB TYR 26 -10.824 5.068 -3.358 148 HD1 TYR 26 HD1 TYR 26 -9.563 8.231 -4.838 149 HD2 TYR 26 HD2 TYR 26 -9.912 5.842 -1.334 150 HE1 TYR 26 HE1 TYR 26 -8.724 10.105 -3.484 151 HE2 TYR 26 HE2 TYR 26 -9.075 7.710 0.030 152 HH TYR 26 HH TYR 26 -7.964 10.716 -1.456 153 H ARG 27 H ARG 27 -9.448 3.053 -3.169 154 HA ARG 27 HA ARG 27 -7.575 3.504 -1.230 155 HB2 ARG 27 1HB ARG 27 -8.595 0.936 -2.421 156 HB3 ARG 27 2HB ARG 27 -7.440 0.933 -1.095 157 HG2 ARG 27 1HG ARG 27 -10.026 2.437 -0.922 158 HG3 ARG 27 2HG ARG 27 -9.913 0.723 -0.520 159 HD2 ARG 27 1HD ARG 27 -8.258 1.195 1.180 160 HD3 ARG 27 2HD ARG 27 -8.240 2.899 0.727 161 HE ARG 27 HE ARG 27 -10.852 2.047 1.458 162 HH11 ARG 27 1HH1 ARG 27 -7.759 2.962 2.768 163 HH12 ARG 27 2HH1 ARG 27 -8.413 3.511 4.275 164 HH21 ARG 27 1HH2 ARG 27 -11.726 2.766 3.438 165 HH22 ARG 27 2HH2 ARG 27 -10.669 3.398 4.656 166 H LEU 28 H LEU 28 -7.066 1.855 -4.331 167 HA LEU 28 HA LEU 28 -4.470 1.004 -4.038 168 HB2 LEU 28 1HB LEU 28 -5.880 0.550 -5.995 169 HB3 LEU 28 2HB LEU 28 -5.699 2.227 -6.505 170 HG LEU 28 HG LEU 28 -3.127 1.572 -6.451 171 HD11 LEU 28 1HD1 LEU 28 -4.537 -0.968 -6.254 172 HD12 LEU 28 2HD1 LEU 28 -2.834 -0.592 -5.997 173 HD13 LEU 28 3HD1 LEU 28 -3.435 -0.887 -7.628 174 HD21 LEU 28 3HD2 LEU 28 -4.776 2.265 -8.363 175 HD22 LEU 28 1HD2 LEU 28 -4.675 0.557 -8.789 176 HD23 LEU 28 2HD2 LEU 28 -3.213 1.543 -8.747 177 H THR 29 H THR 29 -5.466 4.142 -5.414 178 HA THR 29 HA THR 29 -3.038 5.311 -5.818 179 HB THR 29 HB THR 29 -5.380 6.779 -4.598 180 HG1 THR 29 HG1 THR 29 -4.955 5.715 -7.161 181 HG21 THR 29 3HG2 THR 29 -3.043 7.866 -4.937 182 HG22 THR 29 1HG2 THR 29 -4.480 8.728 -5.485 183 HG23 THR 29 2HG2 THR 29 -3.477 7.857 -6.646 184 H GLN 30 H GLN 30 -4.897 5.530 -2.779 185 HA GLN 30 HA GLN 30 -3.208 6.975 -1.223 186 HB2 GLN 30 1HB GLN 30 -4.797 4.526 -0.453 187 HB3 GLN 30 2HB GLN 30 -4.018 5.586 0.714 188 HG2 GLN 30 1HG GLN 30 -6.046 6.545 -1.285 189 HG3 GLN 30 2HG GLN 30 -6.464 5.985 0.333 190 HE21 GLN 30 1HE2 GLN 30 -6.321 7.365 1.984 191 HE22 GLN 30 2HE2 GLN 30 -5.664 8.960 1.892 192 H HIS 31 H HIS 31 -2.975 3.480 -1.816 193 HA HIS 31 HA HIS 31 -0.684 3.062 -0.218 194 HB2 HIS 31 1HB HIS 31 -1.848 1.106 -0.715 195 HB3 HIS 31 2HB HIS 31 -2.022 1.522 -2.417 196 HD1 HIS 31 HD1 HIS 31 0.592 0.302 0.030 197 HD2 HIS 31 HD2 HIS 31 -0.097 0.484 -4.063 198 HE1 HIS 31 HE1 HIS 31 2.428 -1.056 -1.022 199 H TRP 32 H TRP 32 -1.020 3.398 -3.751 200 HA TRP 32 HA TRP 32 1.556 3.183 -4.572 201 HB2 TRP 32 1HB TRP 32 -0.675 4.963 -5.487 202 HB3 TRP 32 2HB TRP 32 0.916 5.107 -6.230 203 HD1 TRP 32 HD1 TRP 32 -1.041 1.895 -5.260 204 HE1 TRP 32 HE1 TRP 32 -1.221 0.418 -7.360 205 HE3 TRP 32 HE3 TRP 32 1.213 5.004 -8.635 206 HZ2 TRP 32 HZ2 TRP 32 -0.502 0.552 -10.086 207 HZ3 TRP 32 HZ3 TRP 32 1.428 4.254 -10.968 208 HH2 TRP 32 HH2 TRP 32 0.588 2.074 -11.677 209 H ILE 33 H ILE 33 0.150 5.834 -2.783 210 HA ILE 33 HA ILE 33 1.875 7.902 -3.137 211 HB ILE 33 HB ILE 33 0.728 6.910 -0.528 212 HG12 ILE 33 1HG1 ILE 33 -0.127 9.175 -2.343 213 HG13 ILE 33 2HG1 ILE 33 -0.878 7.583 -2.310 214 HG21 ILE 33 1HG2 ILE 33 2.440 8.261 0.229 215 HG22 ILE 33 2HG2 ILE 33 2.351 9.334 -1.166 216 HG23 ILE 33 3HG2 ILE 33 1.110 9.409 0.084 217 HD11 ILE 33 3HD1 ILE 33 -1.289 8.045 0.173 218 HD12 ILE 33 1HD1 ILE 33 -0.926 9.725 -0.223 219 HD13 ILE 33 2HD1 ILE 33 -2.275 8.905 -1.010 220 H THR 34 H THR 34 2.405 5.134 -0.968 221 HA THR 34 HA THR 34 4.777 5.809 0.203 222 HB THR 34 HB THR 34 3.500 3.689 0.603 223 HG1 THR 34 HG1 THR 34 5.403 3.604 1.613 224 HG21 THR 34 3HG2 THR 34 3.742 1.810 -0.779 225 HG22 THR 34 1HG2 THR 34 5.094 2.520 -1.661 226 HG23 THR 34 2HG2 THR 34 3.459 3.137 -1.905 227 H HIS 35 H HIS 35 4.297 4.533 -3.056 228 HA HIS 35 HA HIS 35 7.072 4.282 -3.654 229 HB2 HIS 35 1HB HIS 35 4.733 4.524 -5.557 230 HB3 HIS 35 2HB HIS 35 6.345 3.939 -5.960 231 HD1 HIS 35 HD1 HIS 35 6.923 1.887 -3.894 232 HD2 HIS 35 HD2 HIS 35 3.134 2.354 -5.531 233 HE1 HIS 35 HE1 HIS 35 5.761 -0.315 -3.537 234 H THR 36 H THR 36 4.652 6.793 -4.157 235 HA THR 36 HA THR 36 6.011 8.479 -5.877 236 HB THR 36 HB THR 36 4.254 9.335 -3.569 237 HG1 THR 36 HG1 THR 36 3.524 7.773 -5.396 238 HG21 THR 36 3HG2 THR 36 3.753 11.252 -5.140 239 HG22 THR 36 1HG2 THR 36 5.138 10.722 -6.094 240 HG23 THR 36 2HG2 THR 36 5.365 11.252 -4.427 241 H ARG 37 H ARG 37 6.193 8.326 -2.335 242 HA ARG 37 HA ARG 37 8.047 10.466 -2.087 243 HB2 ARG 37 1HB ARG 37 7.354 8.214 -0.193 244 HB3 ARG 37 2HB ARG 37 8.367 9.589 0.227 245 HG2 ARG 37 1HG ARG 37 5.576 9.962 -0.797 246 HG3 ARG 37 2HG ARG 37 5.905 9.648 0.909 247 HD2 ARG 37 1HD ARG 37 5.873 11.959 0.829 248 HD3 ARG 37 2HD ARG 37 7.593 11.602 0.684 249 HE ARG 37 HE ARG 37 6.339 11.802 -1.865 250 HH11 ARG 37 1HH1 ARG 37 7.607 13.681 0.777 251 HH12 ARG 37 2HH1 ARG 37 7.966 15.062 -0.206 252 HH21 ARG 37 1HH2 ARG 37 6.806 13.614 -3.169 253 HH22 ARG 37 2HH2 ARG 37 7.509 15.023 -2.450 254 H GLU 38 H GLU 38 10.266 10.423 -1.733 255 HA GLU 38 HA GLU 38 11.619 8.106 -2.876 256 HB2 GLU 38 1HB GLU 38 12.520 10.916 -2.259 257 HB3 GLU 38 2HB GLU 38 13.634 9.658 -2.775 258 HG2 GLU 38 1HG GLU 38 12.108 9.371 -4.795 259 HG3 GLU 38 2HG GLU 38 11.383 10.903 -4.312 260 H LYS 39 H LYS 39 12.251 6.559 -1.536 261 HA LYS 39 HA LYS 39 12.437 6.793 1.249 262 HB2 LYS 39 1HB LYS 39 13.733 4.766 -0.583 263 HB3 LYS 39 2HB LYS 39 13.581 4.599 1.161 264 HG2 LYS 39 1HG LYS 39 11.052 4.870 0.741 265 HG3 LYS 39 2HG LYS 39 11.451 4.489 -0.935 266 HD2 LYS 39 1HD LYS 39 12.461 2.741 1.270 267 HD3 LYS 39 2HD LYS 39 10.792 2.580 0.716 268 HE2 LYS 39 1HE LYS 39 11.646 2.283 -1.595 269 HE3 LYS 39 2HE LYS 39 13.289 2.315 -0.956 270 HZ1 LYS 39 3HZ LYS 39 12.425 0.052 -1.301 271 HZ2 LYS 39 1HZ LYS 39 11.215 0.348 -0.156 272 HZ3 LYS 39 2HZ LYS 39 12.840 0.347 0.313 273 HA PRO 40 HA PRO 40 16.351 8.697 1.903 274 HB2 PRO 40 1HB PRO 40 16.884 7.757 4.393 275 HB3 PRO 40 2HB PRO 40 15.672 9.004 4.077 276 HG2 PRO 40 1HG PRO 40 15.298 6.066 4.512 277 HG3 PRO 40 2HG PRO 40 14.353 7.422 5.156 278 HD2 PRO 40 1HD PRO 40 13.530 5.949 3.038 279 HD3 PRO 40 2HD PRO 40 13.152 7.675 3.205 280 H SER 41 H SER 41 15.925 5.397 1.487 281 HA SER 41 HA SER 41 18.383 4.307 2.255 282 HB2 SER 41 1HB SER 41 17.888 2.529 0.585 283 HB3 SER 41 2HB SER 41 16.513 2.886 1.630 284 HG SER 41 HG SER 41 15.427 3.424 -0.076 285 H GLY 42 H GLY 42 20.043 3.445 0.671 286 HA2 GLY 42 1HA GLY 42 21.436 3.719 -1.192 287 HA3 GLY 42 2HA GLY 42 20.486 5.119 -1.668 288 HA PRO 43 HA PRO 43 24.584 6.359 0.334 289 HB2 PRO 43 1HB PRO 43 25.720 7.448 -1.877 290 HB3 PRO 43 2HB PRO 43 25.912 5.747 -1.438 291 HG2 PRO 43 1HG PRO 43 24.054 6.991 -3.429 292 HG3 PRO 43 2HG PRO 43 25.027 5.516 -3.576 293 HD2 PRO 43 1HD PRO 43 22.381 5.465 -3.004 294 HD3 PRO 43 2HD PRO 43 23.516 4.250 -2.383 295 H SER 44 H SER 44 22.818 8.042 -2.267 296 HA SER 44 HA SER 44 22.033 10.192 -0.607 297 HB2 SER 44 1HB SER 44 24.559 10.495 -2.154 298 HB3 SER 44 2HB SER 44 23.453 11.868 -2.128 299 HG SER 44 HG SER 44 25.177 11.400 -0.334 300 H SER 45 H SER 45 20.240 11.007 -1.467 301 HA SER 45 HA SER 45 19.726 10.523 -4.318 302 HB2 SER 45 1HB SER 45 17.944 10.824 -1.920 303 HB3 SER 45 2HB SER 45 17.306 11.121 -3.537 304 HG SER 45 HG SER 45 18.359 8.734 -2.461 305 H GLY 46 H GLY 46 18.871 12.994 -1.882 306 HA2 GLY 46 1HA GLY 46 19.407 15.040 -3.943 307 HA3 GLY 46 2HA GLY 46 17.971 15.116 -2.933 Start of MODEL 17 1 H1 GLY 1 H GLY 1 13.935 -21.843 -6.738 2 HA2 GLY 1 1HA GLY 1 13.411 -24.286 -5.853 3 HA3 GLY 1 2HA GLY 1 13.814 -23.497 -4.336 4 H SER 2 H SER 2 12.612 -21.303 -4.071 5 HA SER 2 HA SER 2 9.981 -21.718 -3.588 6 HB2 SER 2 1HB SER 2 9.680 -19.220 -3.785 7 HB3 SER 2 2HB SER 2 11.036 -19.721 -2.775 8 HG SER 2 HG SER 2 11.507 -18.014 -4.312 9 H SER 3 H SER 3 8.018 -21.384 -4.628 10 HA SER 3 HA SER 3 7.999 -20.663 -7.443 11 HB2 SER 3 1HB SER 3 6.929 -22.697 -8.194 12 HB3 SER 3 2HB SER 3 8.436 -23.127 -7.385 13 HG SER 3 HG SER 3 7.346 -24.054 -5.814 14 H GLY 4 H GLY 4 6.056 -19.842 -8.129 15 HA2 GLY 4 1HA GLY 4 3.808 -19.947 -6.225 16 HA3 GLY 4 2HA GLY 4 4.362 -18.402 -6.854 17 H SER 5 H SER 5 1.738 -19.621 -7.108 18 HA SER 5 HA SER 5 1.544 -20.436 -9.887 19 HB2 SER 5 1HB SER 5 0.137 -21.545 -8.199 20 HB3 SER 5 2HB SER 5 -0.624 -20.001 -7.816 21 HG SER 5 HG SER 5 -1.395 -21.702 -9.624 22 H SER 6 H SER 6 0.166 -19.357 -11.417 23 HA SER 6 HA SER 6 0.586 -16.544 -11.468 24 HB2 SER 6 1HB SER 6 0.516 -17.986 -13.504 25 HB3 SER 6 2HB SER 6 -1.217 -18.193 -13.255 26 HG SER 6 HG SER 6 -0.064 -16.280 -14.580 27 H GLY 7 H GLY 7 -2.440 -18.444 -11.461 28 HA2 GLY 7 1HA GLY 7 -4.165 -17.904 -9.823 29 HA3 GLY 7 2HA GLY 7 -3.692 -16.218 -9.977 30 H GLU 8 H GLU 8 -6.284 -16.651 -10.208 31 HA GLU 8 HA GLU 8 -6.779 -16.406 -13.099 32 HB2 GLU 8 1HB GLU 8 -8.349 -17.956 -11.052 33 HB3 GLU 8 2HB GLU 8 -9.089 -17.398 -12.545 34 HG2 GLU 8 1HG GLU 8 -7.015 -18.587 -13.634 35 HG3 GLU 8 2HG GLU 8 -7.019 -19.485 -12.117 36 H GLY 9 H GLY 9 -8.055 -15.717 -9.851 37 HA2 GLY 9 1HA GLY 9 -9.853 -13.691 -10.768 38 HA3 GLY 9 2HA GLY 9 -9.414 -14.014 -9.097 39 H GLU 10 H GLU 10 -8.017 -12.644 -12.075 40 HA GLU 10 HA GLU 10 -6.309 -10.906 -10.485 41 HB2 GLU 10 1HB GLU 10 -5.466 -12.078 -12.533 42 HB3 GLU 10 2HB GLU 10 -6.549 -11.078 -13.491 43 HG2 GLU 10 1HG GLU 10 -5.353 -9.128 -13.024 44 HG3 GLU 10 2HG GLU 10 -4.513 -9.864 -11.661 45 H LYS 11 H LYS 11 -6.996 -8.992 -9.824 46 HA LYS 11 HA LYS 11 -9.361 -7.782 -10.938 47 HB2 LYS 11 1HB LYS 11 -7.459 -6.856 -8.779 48 HB3 LYS 11 2HB LYS 11 -8.942 -6.020 -9.221 49 HG2 LYS 11 1HG LYS 11 -10.015 -8.376 -8.744 50 HG3 LYS 11 2HG LYS 11 -8.566 -8.576 -7.756 51 HD2 LYS 11 1HD LYS 11 -9.983 -7.645 -6.215 52 HD3 LYS 11 2HD LYS 11 -9.244 -6.185 -6.878 53 HE2 LYS 11 1HE LYS 11 -11.604 -5.828 -6.761 54 HE3 LYS 11 2HE LYS 11 -11.169 -6.020 -8.458 55 HZ1 LYS 11 3HZ LYS 11 -12.897 -7.622 -6.828 56 HZ2 LYS 11 1HZ LYS 11 -11.746 -8.550 -7.651 57 HZ3 LYS 11 2HZ LYS 11 -12.783 -7.531 -8.514 58 HA PRO 12 HA PRO 12 -7.516 -5.009 -13.798 59 HB2 PRO 12 1HB PRO 12 -9.188 -2.879 -13.611 60 HB3 PRO 12 2HB PRO 12 -9.648 -4.395 -14.393 61 HG2 PRO 12 1HG PRO 12 -10.279 -3.421 -11.634 62 HG3 PRO 12 2HG PRO 12 -11.337 -4.231 -12.803 63 HD2 PRO 12 1HD PRO 12 -10.183 -5.539 -10.732 64 HD3 PRO 12 2HD PRO 12 -10.512 -6.322 -12.291 65 H TYR 13 H TYR 13 -7.347 -4.540 -10.531 66 HA TYR 13 HA TYR 13 -5.678 -2.137 -10.864 67 HB2 TYR 13 1HB TYR 13 -7.362 -2.769 -8.434 68 HB3 TYR 13 2HB TYR 13 -6.396 -1.322 -8.701 69 HD1 TYR 13 HD2 TYR 13 -7.029 -0.035 -10.965 70 HD2 TYR 13 HD1 TYR 13 -9.631 -2.609 -8.795 71 HE1 TYR 13 HE2 TYR 13 -8.971 1.076 -11.986 72 HE2 TYR 13 HE1 TYR 13 -11.580 -1.506 -9.812 73 HH TYR 13 HH TYR 13 -11.667 0.070 -12.383 74 H GLN 14 H GLN 14 -3.740 -3.214 -10.932 75 HA GLN 14 HA GLN 14 -2.965 -4.583 -8.447 76 HB2 GLN 14 1HB GLN 14 -3.296 -6.254 -10.213 77 HB3 GLN 14 2HB GLN 14 -2.173 -5.386 -11.252 78 HG2 GLN 14 1HG GLN 14 -0.405 -5.778 -9.536 79 HG3 GLN 14 2HG GLN 14 -1.550 -6.808 -8.678 80 HE21 GLN 14 1HE2 GLN 14 0.759 -6.622 -11.137 81 HE22 GLN 14 2HE2 GLN 14 0.542 -8.203 -11.799 82 H CYS 15 H CYS 15 -1.587 -3.248 -7.474 83 HA CYS 15 HA CYS 15 -0.175 -1.155 -8.513 84 HB2 CYS 15 1HB CYS 15 -0.375 -1.634 -6.101 85 HB3 CYS 15 2HB CYS 15 0.752 -2.974 -6.280 86 H SER 16 H SER 16 1.159 -1.121 -10.192 87 HA SER 16 HA SER 16 2.804 -3.436 -10.819 88 HB2 SER 16 1HB SER 16 1.491 -2.077 -12.547 89 HB3 SER 16 2HB SER 16 2.726 -0.834 -12.345 90 HG SER 16 HG SER 16 3.608 -3.433 -12.801 91 H GLU 17 H GLU 17 3.540 -2.210 -8.433 92 HA GLU 17 HA GLU 17 6.189 -1.154 -9.153 93 HB2 GLU 17 1HB GLU 17 4.208 -0.059 -7.192 94 HB3 GLU 17 2HB GLU 17 5.928 0.143 -6.891 95 HG2 GLU 17 1HG GLU 17 4.517 1.031 -9.395 96 HG3 GLU 17 2HG GLU 17 4.881 2.073 -8.020 97 H CYS 18 H CYS 18 4.227 -2.590 -6.561 98 HA CYS 18 HA CYS 18 6.647 -3.992 -5.628 99 HB2 CYS 18 1HB CYS 18 5.640 -4.052 -3.399 100 HB3 CYS 18 2HB CYS 18 5.784 -2.394 -3.971 101 H GLY 19 H GLY 19 3.134 -4.256 -6.054 102 HA2 GLY 19 1HA GLY 19 2.342 -6.273 -7.221 103 HA3 GLY 19 2HA GLY 19 3.491 -7.183 -6.252 104 H LYS 20 H LYS 20 0.844 -4.856 -5.699 105 HA LYS 20 HA LYS 20 -0.268 -6.737 -3.732 106 HB2 LYS 20 1HB LYS 20 0.452 -3.868 -3.367 107 HB3 LYS 20 2HB LYS 20 -1.001 -4.459 -2.572 108 HG2 LYS 20 1HG LYS 20 0.433 -6.290 -1.589 109 HG3 LYS 20 2HG LYS 20 1.829 -5.390 -2.187 110 HD2 LYS 20 1HD LYS 20 1.604 -4.648 0.010 111 HD3 LYS 20 2HD LYS 20 0.804 -3.387 -0.931 112 HE2 LYS 20 1HE LYS 20 -0.536 -3.947 1.004 113 HE3 LYS 20 2HE LYS 20 -1.367 -4.452 -0.466 114 HZ1 LYS 20 3HZ LYS 20 0.328 -6.474 0.709 115 HZ2 LYS 20 1HZ LYS 20 -1.251 -6.595 0.112 116 HZ3 LYS 20 2HZ LYS 20 -0.982 -6.017 1.678 117 H SER 21 H SER 21 -2.296 -7.251 -4.195 118 HA SER 21 HA SER 21 -3.815 -5.518 -6.007 119 HB2 SER 21 1HB SER 21 -5.286 -7.514 -6.298 120 HB3 SER 21 2HB SER 21 -3.609 -7.815 -6.756 121 HG SER 21 HG SER 21 -4.467 -9.500 -5.464 122 H PHE 22 H PHE 22 -5.186 -4.148 -5.102 123 HA PHE 22 HA PHE 22 -6.363 -4.810 -2.498 124 HB2 PHE 22 1HB PHE 22 -6.336 -2.143 -3.924 125 HB3 PHE 22 2HB PHE 22 -6.827 -2.443 -2.260 126 HD1 PHE 22 HD1 PHE 22 -3.910 -2.652 -4.548 127 HD2 PHE 22 HD2 PHE 22 -5.280 -2.297 -0.533 128 HE1 PHE 22 HE1 PHE 22 -1.602 -2.244 -3.800 129 HE2 PHE 22 HE2 PHE 22 -2.975 -1.887 0.221 130 HZ PHE 22 HZ PHE 22 -1.132 -1.859 -1.413 131 H SER 23 H SER 23 -8.634 -4.149 -2.137 132 HA SER 23 HA SER 23 -10.256 -4.928 -4.444 133 HB2 SER 23 1HB SER 23 -10.699 -4.951 -1.474 134 HB3 SER 23 2HB SER 23 -12.077 -5.008 -2.573 135 HG SER 23 HG SER 23 -11.658 -7.037 -2.843 136 H GLY 24 H GLY 24 -9.248 -2.368 -4.631 137 HA2 GLY 24 1HA GLY 24 -11.499 -0.842 -5.200 138 HA3 GLY 24 2HA GLY 24 -10.977 -0.376 -3.588 139 H SER 25 H SER 25 -10.842 0.598 -6.642 140 HA SER 25 HA SER 25 -8.127 1.128 -7.145 141 HB2 SER 25 1HB SER 25 -8.891 2.653 -8.838 142 HB3 SER 25 2HB SER 25 -10.007 1.288 -8.815 143 HG SER 25 HG SER 25 -10.486 3.910 -8.336 144 H TYR 26 H TYR 26 -10.638 3.066 -5.562 145 HA TYR 26 HA TYR 26 -9.281 5.430 -5.179 146 HB2 TYR 26 1HB TYR 26 -11.667 4.984 -4.571 147 HB3 TYR 26 2HB TYR 26 -11.098 4.129 -3.142 148 HD1 TYR 26 HD2 TYR 26 -9.438 5.530 -1.622 149 HD2 TYR 26 HD1 TYR 26 -12.220 7.217 -4.364 150 HE1 TYR 26 HE2 TYR 26 -9.372 7.649 -0.376 151 HE2 TYR 26 HE1 TYR 26 -12.161 9.342 -3.126 152 HH TYR 26 HH TYR 26 -11.039 9.666 -0.085 153 H ARG 27 H ARG 27 -9.007 2.422 -3.378 154 HA ARG 27 HA ARG 27 -7.282 3.534 -1.365 155 HB2 ARG 27 1HB ARG 27 -8.287 0.799 -2.040 156 HB3 ARG 27 2HB ARG 27 -6.897 0.958 -0.974 157 HG2 ARG 27 1HG ARG 27 -8.423 2.625 0.317 158 HG3 ARG 27 2HG ARG 27 -9.725 1.793 -0.536 159 HD2 ARG 27 1HD ARG 27 -7.630 0.225 0.913 160 HD3 ARG 27 2HD ARG 27 -8.967 0.950 1.805 161 HE ARG 27 HE ARG 27 -10.142 -0.406 -0.266 162 HH11 ARG 27 1HH1 ARG 27 -8.010 -1.225 2.361 163 HH12 ARG 27 2HH1 ARG 27 -8.598 -2.849 2.505 164 HH21 ARG 27 1HH2 ARG 27 -10.925 -2.541 -0.087 165 HH22 ARG 27 2HH2 ARG 27 -10.255 -3.596 1.111 166 H LEU 28 H LEU 28 -6.876 1.625 -4.307 167 HA LEU 28 HA LEU 28 -4.265 0.850 -4.167 168 HB2 LEU 28 1HB LEU 28 -5.799 0.386 -6.043 169 HB3 LEU 28 2HB LEU 28 -5.601 2.050 -6.590 170 HG LEU 28 HG LEU 28 -3.041 1.322 -6.623 171 HD11 LEU 28 1HD1 LEU 28 -4.286 -1.242 -7.501 172 HD12 LEU 28 2HD1 LEU 28 -3.895 -1.003 -5.798 173 HD13 LEU 28 3HD1 LEU 28 -2.624 -0.903 -7.017 174 HD21 LEU 28 3HD2 LEU 28 -5.168 1.535 -8.532 175 HD22 LEU 28 1HD2 LEU 28 -4.044 0.270 -9.027 176 HD23 LEU 28 2HD2 LEU 28 -3.454 1.904 -8.724 177 H THR 29 H THR 29 -5.243 3.878 -5.783 178 HA THR 29 HA THR 29 -2.826 5.042 -6.170 179 HB THR 29 HB THR 29 -4.782 6.175 -6.942 180 HG1 THR 29 HG1 THR 29 -3.940 7.986 -4.968 181 HG21 THR 29 3HG2 THR 29 -6.568 6.845 -5.670 182 HG22 THR 29 1HG2 THR 29 -5.592 7.072 -4.219 183 HG23 THR 29 2HG2 THR 29 -6.043 5.446 -4.734 184 H GLN 30 H GLN 30 -4.776 5.511 -3.216 185 HA GLN 30 HA GLN 30 -3.075 7.052 -1.742 186 HB2 GLN 30 1HB GLN 30 -5.029 4.918 -1.001 187 HB3 GLN 30 2HB GLN 30 -3.995 5.587 0.254 188 HG2 GLN 30 1HG GLN 30 -4.812 7.848 -0.353 189 HG3 GLN 30 2HG GLN 30 -5.934 7.093 -1.484 190 HE21 GLN 30 1HE2 GLN 30 -5.004 7.216 1.914 191 HE22 GLN 30 2HE2 GLN 30 -6.571 6.848 2.543 192 H HIS 31 H HIS 31 -2.835 3.603 -2.356 193 HA HIS 31 HA HIS 31 -0.630 3.240 -0.531 194 HB2 HIS 31 1HB HIS 31 -1.832 1.277 -0.701 195 HB3 HIS 31 2HB HIS 31 -2.152 1.496 -2.419 196 HD1 HIS 31 HD1 HIS 31 0.519 0.299 -0.054 197 HD2 HIS 31 HD2 HIS 31 -0.315 0.329 -4.124 198 HE1 HIS 31 HE1 HIS 31 2.224 -1.223 -1.101 199 H TRP 32 H TRP 32 -1.062 4.072 -3.852 200 HA TRP 32 HA TRP 32 1.512 3.288 -4.783 201 HB2 TRP 32 1HB TRP 32 -0.703 5.001 -5.828 202 HB3 TRP 32 2HB TRP 32 0.886 5.126 -6.579 203 HD1 TRP 32 HD1 TRP 32 -1.217 2.044 -5.469 204 HE1 TRP 32 HE1 TRP 32 -1.284 0.391 -7.441 205 HE3 TRP 32 HE3 TRP 32 1.477 4.738 -8.877 206 HZ2 TRP 32 HZ2 TRP 32 -0.321 0.248 -10.090 207 HZ3 TRP 32 HZ3 TRP 32 1.860 3.771 -11.107 208 HH2 TRP 32 HH2 TRP 32 0.979 1.573 -11.699 209 H ILE 33 H ILE 33 0.174 6.276 -3.466 210 HA ILE 33 HA ILE 33 2.236 8.038 -3.996 211 HB ILE 33 HB ILE 33 0.425 7.865 -1.593 212 HG12 ILE 33 1HG1 ILE 33 -0.331 10.078 -2.884 213 HG13 ILE 33 2HG1 ILE 33 0.356 9.207 -4.250 214 HG21 ILE 33 1HG2 ILE 33 2.743 9.580 -2.078 215 HG22 ILE 33 2HG2 ILE 33 1.266 10.460 -1.686 216 HG23 ILE 33 3HG2 ILE 33 1.881 9.232 -0.579 217 HD11 ILE 33 3HD1 ILE 33 -2.202 8.946 -3.166 218 HD12 ILE 33 1HD1 ILE 33 -1.457 7.956 -4.420 219 HD13 ILE 33 2HD1 ILE 33 -1.340 7.470 -2.729 220 H THR 34 H THR 34 1.978 5.624 -1.441 221 HA THR 34 HA THR 34 4.103 6.362 0.174 222 HB THR 34 HB THR 34 4.205 4.081 0.944 223 HG1 THR 34 HG1 THR 34 3.773 2.453 -0.343 224 HG21 THR 34 3HG2 THR 34 2.253 4.386 1.970 225 HG22 THR 34 1HG2 THR 34 1.392 3.860 0.524 226 HG23 THR 34 2HG2 THR 34 1.799 5.563 0.738 227 H HIS 35 H HIS 35 4.116 4.655 -2.897 228 HA HIS 35 HA HIS 35 6.820 3.822 -2.826 229 HB2 HIS 35 1HB HIS 35 4.905 4.281 -5.114 230 HB3 HIS 35 2HB HIS 35 6.532 3.646 -5.338 231 HD1 HIS 35 HD1 HIS 35 6.663 1.642 -3.029 232 HD2 HIS 35 HD2 HIS 35 3.378 2.074 -5.536 233 HE1 HIS 35 HE1 HIS 35 5.429 -0.546 -2.904 234 H THR 36 H THR 36 5.238 6.782 -3.825 235 HA THR 36 HA THR 36 7.707 7.876 -4.911 236 HB THR 36 HB THR 36 5.117 9.377 -4.563 237 HG1 THR 36 HG1 THR 36 4.283 8.263 -6.156 238 HG21 THR 36 3HG2 THR 36 7.543 10.262 -5.362 239 HG22 THR 36 1HG2 THR 36 6.018 10.949 -5.917 240 HG23 THR 36 2HG2 THR 36 6.862 9.761 -6.909 241 H ARG 37 H ARG 37 7.709 7.224 -2.125 242 HA ARG 37 HA ARG 37 8.175 9.909 -1.022 243 HB2 ARG 37 1HB ARG 37 6.530 7.698 0.109 244 HB3 ARG 37 2HB ARG 37 7.492 8.657 1.226 245 HG2 ARG 37 1HG ARG 37 6.324 10.614 0.745 246 HG3 ARG 37 2HG ARG 37 5.666 9.960 -0.756 247 HD2 ARG 37 1HD ARG 37 4.091 8.666 0.348 248 HD3 ARG 37 2HD ARG 37 4.996 8.680 1.861 249 HE ARG 37 HE ARG 37 3.085 10.628 0.967 250 HH11 ARG 37 1HH1 ARG 37 5.860 10.072 2.996 251 HH12 ARG 37 2HH1 ARG 37 5.495 11.376 4.075 252 HH21 ARG 37 1HH2 ARG 37 2.595 12.349 2.382 253 HH22 ARG 37 2HH2 ARG 37 3.637 12.670 3.726 254 H GLU 38 H GLU 38 9.478 9.674 1.118 255 HA GLU 38 HA GLU 38 11.718 7.868 0.536 256 HB2 GLU 38 1HB GLU 38 11.547 10.435 2.110 257 HB3 GLU 38 2HB GLU 38 12.964 9.395 2.137 258 HG2 GLU 38 1HG GLU 38 13.578 10.869 0.519 259 HG3 GLU 38 2HG GLU 38 12.799 9.635 -0.469 260 H LYS 39 H LYS 39 12.142 6.201 1.823 261 HA LYS 39 HA LYS 39 11.574 6.257 4.642 262 HB2 LYS 39 1HB LYS 39 10.125 4.221 4.580 263 HB3 LYS 39 2HB LYS 39 9.368 5.659 3.907 264 HG2 LYS 39 1HG LYS 39 8.790 4.158 2.309 265 HG3 LYS 39 2HG LYS 39 10.346 4.674 1.654 266 HD2 LYS 39 1HD LYS 39 11.430 2.733 2.412 267 HD3 LYS 39 2HD LYS 39 10.113 2.325 3.513 268 HE2 LYS 39 1HE LYS 39 9.717 2.426 0.539 269 HE3 LYS 39 2HE LYS 39 10.322 0.979 1.343 270 HZ1 LYS 39 3HZ LYS 39 8.326 0.915 2.683 271 HZ2 LYS 39 1HZ LYS 39 7.917 0.920 1.041 272 HZ3 LYS 39 2HZ LYS 39 7.750 2.331 1.959 273 HA PRO 40 HA PRO 40 14.958 3.460 4.727 274 HB2 PRO 40 1HB PRO 40 14.443 2.085 7.011 275 HB3 PRO 40 2HB PRO 40 14.995 3.764 7.004 276 HG2 PRO 40 1HG PRO 40 12.222 2.684 7.326 277 HG3 PRO 40 2HG PRO 40 13.024 3.991 8.217 278 HD2 PRO 40 1HD PRO 40 11.270 4.460 6.209 279 HD3 PRO 40 2HD PRO 40 12.643 5.533 6.548 280 H SER 41 H SER 41 15.484 1.075 5.010 281 HA SER 41 HA SER 41 15.307 -1.015 4.114 282 HB2 SER 41 1HB SER 41 13.692 -0.991 6.156 283 HB3 SER 41 2HB SER 41 12.417 -1.019 4.939 284 HG SER 41 HG SER 41 13.573 -3.086 5.867 285 H GLY 42 H GLY 42 15.012 0.937 2.197 286 HA2 GLY 42 1HA GLY 42 12.662 0.371 0.599 287 HA3 GLY 42 2HA GLY 42 13.971 1.467 0.183 288 HA PRO 43 HA PRO 43 15.657 -1.459 -2.604 289 HB2 PRO 43 1HB PRO 43 18.332 -1.151 -2.254 290 HB3 PRO 43 2HB PRO 43 17.322 0.059 -3.055 291 HG2 PRO 43 1HG PRO 43 18.324 -0.006 -0.234 292 HG3 PRO 43 2HG PRO 43 18.250 1.359 -1.364 293 HD2 PRO 43 1HD PRO 43 16.418 0.988 0.595 294 HD3 PRO 43 2HD PRO 43 16.010 1.729 -0.966 295 H SER 44 H SER 44 15.280 -3.552 -2.132 296 HA SER 44 HA SER 44 17.300 -5.020 -0.676 297 HB2 SER 44 1HB SER 44 15.667 -4.262 1.082 298 HB3 SER 44 2HB SER 44 14.425 -5.199 0.252 299 HG SER 44 HG SER 44 16.225 -6.933 0.504 300 H SER 45 H SER 45 17.764 -6.417 -2.259 301 HA SER 45 HA SER 45 15.532 -7.834 -3.559 302 HB2 SER 45 1HB SER 45 16.908 -8.130 -5.495 303 HB3 SER 45 2HB SER 45 17.046 -6.435 -5.029 304 HG SER 45 HG SER 45 19.109 -6.921 -5.182 305 H GLY 46 H GLY 46 18.808 -8.233 -2.253 306 HA2 GLY 46 1HA GLY 46 18.481 -11.139 -2.272 307 HA3 GLY 46 2HA GLY 46 19.960 -10.264 -1.905 Start of MODEL 18 1 H1 GLY 1 H GLY 1 12.320 -16.858 -1.823 2 HA2 GLY 1 1HA GLY 1 12.416 -19.479 -2.946 3 HA3 GLY 1 2HA GLY 1 10.969 -19.260 -1.973 4 H SER 2 H SER 2 10.209 -19.776 -4.312 5 HA SER 2 HA SER 2 9.652 -17.195 -5.612 6 HB2 SER 2 1HB SER 2 10.619 -19.750 -6.831 7 HB3 SER 2 2HB SER 2 9.527 -18.726 -7.762 8 HG SER 2 HG SER 2 11.007 -17.046 -7.586 9 H SER 3 H SER 3 7.776 -17.589 -7.295 10 HA SER 3 HA SER 3 5.587 -18.733 -5.742 11 HB2 SER 3 1HB SER 3 5.751 -16.799 -8.034 12 HB3 SER 3 2HB SER 3 4.228 -17.608 -7.665 13 HG SER 3 HG SER 3 4.427 -16.766 -5.522 14 H GLY 4 H GLY 4 7.026 -18.972 -8.975 15 HA2 GLY 4 1HA GLY 4 7.230 -21.004 -10.169 16 HA3 GLY 4 2HA GLY 4 5.942 -21.683 -9.184 17 H SER 5 H SER 5 3.761 -20.544 -9.502 18 HA SER 5 HA SER 5 3.013 -20.850 -12.207 19 HB2 SER 5 1HB SER 5 0.792 -20.081 -11.474 20 HB3 SER 5 2HB SER 5 1.455 -21.269 -10.352 21 HG SER 5 HG SER 5 0.922 -19.753 -8.965 22 H SER 6 H SER 6 1.710 -19.123 -13.381 23 HA SER 6 HA SER 6 3.199 -16.584 -13.256 24 HB2 SER 6 1HB SER 6 3.394 -18.059 -15.342 25 HB3 SER 6 2HB SER 6 1.720 -17.617 -15.675 26 HG SER 6 HG SER 6 4.024 -16.014 -15.674 27 H GLY 7 H GLY 7 1.870 -15.455 -11.865 28 HA2 GLY 7 1HA GLY 7 0.040 -14.248 -11.177 29 HA3 GLY 7 2HA GLY 7 -0.240 -14.002 -12.894 30 H GLU 8 H GLU 8 -1.264 -15.612 -10.044 31 HA GLU 8 HA GLU 8 -3.284 -17.113 -11.571 32 HB2 GLU 8 1HB GLU 8 -1.650 -18.260 -9.898 33 HB3 GLU 8 2HB GLU 8 -2.701 -17.579 -8.665 34 HG2 GLU 8 1HG GLU 8 -4.482 -18.908 -9.249 35 HG3 GLU 8 2HG GLU 8 -3.894 -19.156 -10.892 36 H GLY 9 H GLY 9 -4.601 -15.227 -11.833 37 HA2 GLY 9 1HA GLY 9 -6.846 -14.802 -10.736 38 HA3 GLY 9 2HA GLY 9 -5.896 -14.318 -9.340 39 H GLU 10 H GLU 10 -6.551 -13.542 -12.730 40 HA GLU 10 HA GLU 10 -5.199 -11.073 -12.773 41 HB2 GLU 10 1HB GLU 10 -7.567 -11.994 -14.411 42 HB3 GLU 10 2HB GLU 10 -6.575 -10.587 -14.770 43 HG2 GLU 10 1HG GLU 10 -5.782 -13.480 -14.854 44 HG3 GLU 10 2HG GLU 10 -5.835 -12.324 -16.183 45 H LYS 11 H LYS 11 -5.615 -9.413 -11.481 46 HA LYS 11 HA LYS 11 -8.393 -8.882 -10.688 47 HB2 LYS 11 1HB LYS 11 -5.812 -7.874 -9.477 48 HB3 LYS 11 2HB LYS 11 -7.427 -7.525 -8.875 49 HG2 LYS 11 1HG LYS 11 -7.695 -9.601 -7.979 50 HG3 LYS 11 2HG LYS 11 -6.639 -10.372 -9.165 51 HD2 LYS 11 1HD LYS 11 -4.686 -9.397 -8.073 52 HD3 LYS 11 2HD LYS 11 -5.733 -8.590 -6.903 53 HE2 LYS 11 1HE LYS 11 -6.342 -10.605 -5.886 54 HE3 LYS 11 2HE LYS 11 -5.805 -11.567 -7.262 55 HZ1 LYS 11 3HZ LYS 11 -4.330 -10.699 -4.982 56 HZ2 LYS 11 1HZ LYS 11 -3.563 -10.241 -6.419 57 HZ3 LYS 11 2HZ LYS 11 -3.930 -11.868 -6.138 58 HA PRO 12 HA PRO 12 -8.566 -5.275 -13.199 59 HB2 PRO 12 1HB PRO 12 -10.413 -3.848 -11.814 60 HB3 PRO 12 2HB PRO 12 -10.825 -5.268 -12.782 61 HG2 PRO 12 1HG PRO 12 -10.411 -5.045 -9.826 62 HG3 PRO 12 2HG PRO 12 -11.666 -5.927 -10.717 63 HD2 PRO 12 1HD PRO 12 -9.487 -7.150 -9.673 64 HD3 PRO 12 2HD PRO 12 -10.272 -7.708 -11.165 65 H TYR 13 H TYR 13 -7.712 -5.124 -9.844 66 HA TYR 13 HA TYR 13 -6.302 -2.596 -10.347 67 HB2 TYR 13 1HB TYR 13 -7.959 -3.260 -7.908 68 HB3 TYR 13 2HB TYR 13 -6.855 -1.893 -8.008 69 HD1 TYR 13 HD2 TYR 13 -7.370 0.016 -9.457 70 HD2 TYR 13 HD1 TYR 13 -10.084 -3.235 -9.047 71 HE1 TYR 13 HE2 TYR 13 -9.156 1.390 -10.442 72 HE2 TYR 13 HE1 TYR 13 -11.877 -1.870 -10.032 73 HH TYR 13 HH TYR 13 -11.263 1.450 -11.135 74 H GLN 14 H GLN 14 -4.333 -3.629 -10.545 75 HA GLN 14 HA GLN 14 -3.312 -4.867 -8.076 76 HB2 GLN 14 1HB GLN 14 -3.594 -6.600 -9.753 77 HB3 GLN 14 2HB GLN 14 -2.697 -5.649 -10.929 78 HG2 GLN 14 1HG GLN 14 -0.664 -5.993 -9.831 79 HG3 GLN 14 2HG GLN 14 -1.456 -6.526 -8.349 80 HE21 GLN 14 1HE2 GLN 14 0.377 -8.166 -8.980 81 HE22 GLN 14 2HE2 GLN 14 -0.188 -9.576 -9.803 82 H CYS 15 H CYS 15 -1.748 -3.708 -7.190 83 HA CYS 15 HA CYS 15 -0.537 -1.500 -8.491 84 HB2 CYS 15 1HB CYS 15 -0.841 -1.495 -6.085 85 HB3 CYS 15 2HB CYS 15 0.180 -2.920 -5.919 86 H SER 16 H SER 16 0.983 -1.591 -9.993 87 HA SER 16 HA SER 16 2.587 -3.952 -10.374 88 HB2 SER 16 1HB SER 16 2.157 -1.393 -11.839 89 HB3 SER 16 2HB SER 16 3.661 -2.263 -12.138 90 HG SER 16 HG SER 16 1.291 -3.731 -12.167 91 H GLU 17 H GLU 17 3.115 -0.636 -9.278 92 HA GLU 17 HA GLU 17 5.759 -0.291 -9.188 93 HB2 GLU 17 1HB GLU 17 3.684 0.255 -7.098 94 HB3 GLU 17 2HB GLU 17 5.373 0.601 -6.754 95 HG2 GLU 17 1HG GLU 17 4.015 1.661 -9.205 96 HG3 GLU 17 2HG GLU 17 3.929 2.495 -7.655 97 H CYS 18 H CYS 18 4.038 -2.154 -6.679 98 HA CYS 18 HA CYS 18 6.592 -3.470 -6.031 99 HB2 CYS 18 1HB CYS 18 5.568 -3.983 -3.832 100 HB3 CYS 18 2HB CYS 18 5.680 -2.253 -4.139 101 H GLY 19 H GLY 19 3.096 -4.071 -6.326 102 HA2 GLY 19 1HA GLY 19 2.485 -5.972 -7.796 103 HA3 GLY 19 2HA GLY 19 3.754 -6.877 -6.984 104 H LYS 20 H LYS 20 1.159 -4.784 -5.739 105 HA LYS 20 HA LYS 20 0.233 -7.074 -4.129 106 HB2 LYS 20 1HB LYS 20 1.348 -5.003 -2.985 107 HB3 LYS 20 2HB LYS 20 -0.204 -4.230 -3.285 108 HG2 LYS 20 1HG LYS 20 -1.341 -5.902 -1.975 109 HG3 LYS 20 2HG LYS 20 0.163 -6.801 -1.760 110 HD2 LYS 20 1HD LYS 20 1.037 -5.244 -0.293 111 HD3 LYS 20 2HD LYS 20 0.015 -3.941 -0.905 112 HE2 LYS 20 1HE LYS 20 -0.895 -4.440 1.186 113 HE3 LYS 20 2HE LYS 20 -1.943 -5.291 0.051 114 HZ1 LYS 20 3HZ LYS 20 -0.865 -6.432 2.196 115 HZ2 LYS 20 1HZ LYS 20 0.326 -6.800 1.052 116 HZ3 LYS 20 2HZ LYS 20 -1.272 -7.289 0.795 117 H SER 21 H SER 21 -2.084 -6.875 -3.442 118 HA SER 21 HA SER 21 -3.677 -5.871 -5.703 119 HB2 SER 21 1HB SER 21 -5.324 -7.555 -5.156 120 HB3 SER 21 2HB SER 21 -3.744 -8.332 -5.254 121 HG SER 21 HG SER 21 -5.411 -8.432 -3.253 122 H PHE 22 H PHE 22 -5.590 -4.732 -5.334 123 HA PHE 22 HA PHE 22 -6.183 -3.926 -2.586 124 HB2 PHE 22 1HB PHE 22 -5.514 -2.041 -4.846 125 HB3 PHE 22 2HB PHE 22 -6.394 -1.528 -3.410 126 HD1 PHE 22 HD1 PHE 22 -3.172 -2.708 -4.701 127 HD2 PHE 22 HD2 PHE 22 -5.289 -1.266 -1.302 128 HE1 PHE 22 HE1 PHE 22 -1.038 -2.343 -3.532 129 HE2 PHE 22 HE2 PHE 22 -3.158 -0.898 -0.127 130 HZ PHE 22 HZ PHE 22 -1.029 -1.436 -1.242 131 H SER 23 H SER 23 -8.313 -3.493 -2.200 132 HA SER 23 HA SER 23 -10.154 -4.145 -4.375 133 HB2 SER 23 1HB SER 23 -10.662 -3.879 -1.402 134 HB3 SER 23 2HB SER 23 -11.833 -4.430 -2.599 135 HG SER 23 HG SER 23 -11.032 -6.318 -2.096 136 H GLY 24 H GLY 24 -9.923 -2.098 -5.453 137 HA2 GLY 24 1HA GLY 24 -11.847 -0.338 -5.482 138 HA3 GLY 24 2HA GLY 24 -11.031 0.216 -4.028 139 H SER 25 H SER 25 -11.429 1.778 -6.355 140 HA SER 25 HA SER 25 -8.944 1.841 -7.823 141 HB2 SER 25 1HB SER 25 -9.963 3.903 -8.865 142 HB3 SER 25 2HB SER 25 -10.922 2.434 -9.045 143 HG SER 25 HG SER 25 -12.465 3.492 -8.114 144 H TYR 26 H TYR 26 -10.592 3.937 -5.474 145 HA TYR 26 HA TYR 26 -8.535 5.873 -5.333 146 HB2 TYR 26 1HB TYR 26 -11.037 5.921 -4.504 147 HB3 TYR 26 2HB TYR 26 -10.329 5.344 -2.998 148 HD1 TYR 26 HD1 TYR 26 -10.451 8.147 -5.382 149 HD2 TYR 26 HD2 TYR 26 -9.001 6.792 -1.618 150 HE1 TYR 26 HE1 TYR 26 -9.858 10.458 -4.785 151 HE2 TYR 26 HE2 TYR 26 -8.405 9.099 -1.011 152 HH TYR 26 HH TYR 26 -9.407 11.554 -1.902 153 H ARG 27 H ARG 27 -9.300 3.045 -3.334 154 HA ARG 27 HA ARG 27 -7.446 3.337 -1.321 155 HB2 ARG 27 1HB ARG 27 -9.166 1.538 -1.471 156 HB3 ARG 27 2HB ARG 27 -8.166 0.731 -2.671 157 HG2 ARG 27 1HG ARG 27 -7.697 -0.370 -0.670 158 HG3 ARG 27 2HG ARG 27 -6.335 0.729 -0.898 159 HD2 ARG 27 1HD ARG 27 -7.777 2.361 0.535 160 HD3 ARG 27 2HD ARG 27 -8.601 0.888 1.044 161 HE ARG 27 HE ARG 27 -5.788 0.612 1.282 162 HH11 ARG 27 1HH1 ARG 27 -8.557 2.085 2.792 163 HH12 ARG 27 2HH1 ARG 27 -7.852 2.096 4.375 164 HH21 ARG 27 1HH2 ARG 27 -4.848 0.621 3.361 165 HH22 ARG 27 2HH2 ARG 27 -5.742 1.264 4.697 166 H LEU 28 H LEU 28 -6.964 1.973 -4.553 167 HA LEU 28 HA LEU 28 -4.362 1.047 -4.265 168 HB2 LEU 28 1HB LEU 28 -5.852 0.680 -6.223 169 HB3 LEU 28 2HB LEU 28 -5.533 2.339 -6.723 170 HG LEU 28 HG LEU 28 -3.023 1.497 -6.641 171 HD11 LEU 28 1HD1 LEU 28 -3.243 -0.694 -5.894 172 HD12 LEU 28 2HD1 LEU 28 -3.079 -0.870 -7.641 173 HD13 LEU 28 3HD1 LEU 28 -4.669 -0.994 -6.887 174 HD21 LEU 28 3HD2 LEU 28 -3.286 2.053 -8.772 175 HD22 LEU 28 1HD2 LEU 28 -5.029 1.810 -8.648 176 HD23 LEU 28 2HD2 LEU 28 -3.980 0.461 -9.085 177 H THR 29 H THR 29 -5.295 4.150 -5.762 178 HA THR 29 HA THR 29 -2.826 5.298 -6.004 179 HB THR 29 HB THR 29 -3.903 7.490 -5.883 180 HG1 THR 29 HG1 THR 29 -5.771 7.774 -4.881 181 HG21 THR 29 3HG2 THR 29 -6.086 6.092 -7.214 182 HG22 THR 29 1HG2 THR 29 -4.499 5.475 -7.671 183 HG23 THR 29 2HG2 THR 29 -4.874 7.186 -7.879 184 H GLN 30 H GLN 30 -4.904 5.319 -3.129 185 HA GLN 30 HA GLN 30 -3.432 6.987 -1.493 186 HB2 GLN 30 1HB GLN 30 -5.036 4.527 -0.793 187 HB3 GLN 30 2HB GLN 30 -4.390 5.639 0.407 188 HG2 GLN 30 1HG GLN 30 -5.673 7.462 -0.779 189 HG3 GLN 30 2HG GLN 30 -6.476 6.178 -1.682 190 HE21 GLN 30 1HE2 GLN 30 -8.143 5.140 -0.780 191 HE22 GLN 30 2HE2 GLN 30 -8.698 5.379 0.839 192 H HIS 31 H HIS 31 -2.986 3.534 -2.112 193 HA HIS 31 HA HIS 31 -0.833 3.249 -0.251 194 HB2 HIS 31 1HB HIS 31 -1.890 1.226 -0.635 195 HB3 HIS 31 2HB HIS 31 -2.070 1.527 -2.361 196 HD1 HIS 31 HD1 HIS 31 0.811 0.921 0.060 197 HD2 HIS 31 HD2 HIS 31 -0.356 0.052 -3.831 198 HE1 HIS 31 HE1 HIS 31 2.625 -0.550 -0.873 199 H TRP 32 H TRP 32 -1.034 3.504 -3.790 200 HA TRP 32 HA TRP 32 1.533 3.179 -4.571 201 HB2 TRP 32 1HB TRP 32 -0.584 5.091 -5.483 202 HB3 TRP 32 2HB TRP 32 1.027 5.186 -6.188 203 HD1 TRP 32 HD1 TRP 32 -1.283 2.149 -5.414 204 HE1 TRP 32 HE1 TRP 32 -1.403 0.697 -7.535 205 HE3 TRP 32 HE3 TRP 32 1.645 4.981 -8.503 206 HZ2 TRP 32 HZ2 TRP 32 -0.391 0.745 -10.170 207 HZ3 TRP 32 HZ3 TRP 32 2.020 4.207 -10.809 208 HH2 TRP 32 HH2 TRP 32 1.022 2.133 -11.623 209 H ILE 33 H ILE 33 0.199 6.078 -3.043 210 HA ILE 33 HA ILE 33 2.133 7.929 -3.256 211 HB ILE 33 HB ILE 33 0.770 7.154 -0.676 212 HG12 ILE 33 1HG1 ILE 33 0.059 9.417 -2.535 213 HG13 ILE 33 2HG1 ILE 33 -0.621 7.805 -2.733 214 HG21 ILE 33 1HG2 ILE 33 1.510 9.942 -0.974 215 HG22 ILE 33 2HG2 ILE 33 1.785 8.837 0.372 216 HG23 ILE 33 3HG2 ILE 33 2.913 8.873 -0.983 217 HD11 ILE 33 3HD1 ILE 33 -1.948 9.572 -1.422 218 HD12 ILE 33 1HD1 ILE 33 -1.829 7.939 -0.765 219 HD13 ILE 33 2HD1 ILE 33 -0.816 9.229 -0.114 220 H THR 34 H THR 34 2.275 5.127 -1.090 221 HA THR 34 HA THR 34 4.560 5.628 0.325 222 HB THR 34 HB THR 34 4.922 3.210 0.470 223 HG1 THR 34 HG1 THR 34 4.063 1.845 -0.957 224 HG21 THR 34 3HG2 THR 34 2.093 4.211 0.617 225 HG22 THR 34 1HG2 THR 34 3.236 3.939 1.931 226 HG23 THR 34 2HG2 THR 34 2.515 2.566 1.090 227 H HIS 35 H HIS 35 4.396 4.081 -2.881 228 HA HIS 35 HA HIS 35 7.198 3.872 -3.211 229 HB2 HIS 35 1HB HIS 35 5.161 4.043 -5.434 230 HB3 HIS 35 2HB HIS 35 6.734 3.252 -5.474 231 HD1 HIS 35 HD1 HIS 35 6.815 1.291 -3.373 232 HD2 HIS 35 HD2 HIS 35 3.212 2.201 -5.231 233 HE1 HIS 35 HE1 HIS 35 5.319 -0.685 -2.945 234 H THR 36 H THR 36 4.864 6.375 -3.978 235 HA THR 36 HA THR 36 6.353 7.947 -5.718 236 HB THR 36 HB THR 36 4.411 8.887 -3.598 237 HG1 THR 36 HG1 THR 36 3.345 7.524 -4.987 238 HG21 THR 36 3HG2 THR 36 4.115 10.742 -5.401 239 HG22 THR 36 1HG2 THR 36 5.731 10.256 -5.911 240 HG23 THR 36 2HG2 THR 36 5.464 10.842 -4.269 241 H ARG 37 H ARG 37 6.253 8.030 -2.166 242 HA ARG 37 HA ARG 37 8.811 9.486 -2.222 243 HB2 ARG 37 1HB ARG 37 7.992 10.518 -0.013 244 HB3 ARG 37 2HB ARG 37 7.320 11.145 -1.513 245 HG2 ARG 37 1HG ARG 37 5.304 9.859 -1.195 246 HG3 ARG 37 2HG ARG 37 5.983 9.099 0.245 247 HD2 ARG 37 1HD ARG 37 4.491 10.849 0.932 248 HD3 ARG 37 2HD ARG 37 6.145 11.346 1.288 249 HE ARG 37 HE ARG 37 5.897 13.078 -0.184 250 HH11 ARG 37 1HH1 ARG 37 3.389 10.734 -0.761 251 HH12 ARG 37 2HH1 ARG 37 2.540 11.729 -1.897 252 HH21 ARG 37 1HH2 ARG 37 4.789 14.397 -1.678 253 HH22 ARG 37 2HH2 ARG 37 3.338 13.813 -2.418 254 H GLU 38 H GLU 38 10.126 7.767 -1.795 255 HA GLU 38 HA GLU 38 10.156 6.797 0.911 256 HB2 GLU 38 1HB GLU 38 10.042 4.414 0.348 257 HB3 GLU 38 2HB GLU 38 8.547 5.241 -0.067 258 HG2 GLU 38 1HG GLU 38 9.186 5.293 -2.400 259 HG3 GLU 38 2HG GLU 38 10.736 4.549 -2.013 260 H LYS 39 H LYS 39 12.079 5.509 1.375 261 HA LYS 39 HA LYS 39 14.418 6.590 0.450 262 HB2 LYS 39 1HB LYS 39 15.568 4.654 1.409 263 HB3 LYS 39 2HB LYS 39 14.276 5.206 2.467 264 HG2 LYS 39 1HG LYS 39 12.840 3.405 1.668 265 HG3 LYS 39 2HG LYS 39 14.125 2.856 0.588 266 HD2 LYS 39 1HD LYS 39 14.277 1.457 2.469 267 HD3 LYS 39 2HD LYS 39 15.564 2.645 2.685 268 HE2 LYS 39 1HE LYS 39 14.633 2.676 4.774 269 HE3 LYS 39 2HE LYS 39 13.686 3.943 3.996 270 HZ1 LYS 39 3HZ LYS 39 12.212 1.813 3.418 271 HZ2 LYS 39 1HZ LYS 39 11.985 2.742 4.813 272 HZ3 LYS 39 2HZ LYS 39 12.869 1.303 4.891 273 HA PRO 40 HA PRO 40 15.087 5.003 -3.600 274 HB2 PRO 40 1HB PRO 40 17.786 5.269 -3.731 275 HB3 PRO 40 2HB PRO 40 16.680 6.645 -3.819 276 HG2 PRO 40 1HG PRO 40 18.245 5.619 -1.482 277 HG3 PRO 40 2HG PRO 40 17.990 7.293 -2.010 278 HD2 PRO 40 1HD PRO 40 16.595 6.178 0.025 279 HD3 PRO 40 2HD PRO 40 15.899 7.411 -1.048 280 H SER 41 H SER 41 15.437 3.057 -4.524 281 HA SER 41 HA SER 41 17.315 1.172 -3.374 282 HB2 SER 41 1HB SER 41 15.409 0.641 -2.019 283 HB3 SER 41 2HB SER 41 14.337 0.655 -3.419 284 HG SER 41 HG SER 41 15.874 -1.354 -2.447 285 H GLY 42 H GLY 42 18.036 -0.342 -4.829 286 HA2 GLY 42 1HA GLY 42 17.031 -0.004 -7.579 287 HA3 GLY 42 2HA GLY 42 18.660 -0.509 -7.155 288 HA PRO 43 HA PRO 43 15.618 -4.253 -6.497 289 HB2 PRO 43 1HB PRO 43 13.333 -4.098 -7.954 290 HB3 PRO 43 2HB PRO 43 13.454 -3.508 -6.292 291 HG2 PRO 43 1HG PRO 43 13.599 -1.978 -8.861 292 HG3 PRO 43 2HG PRO 43 12.747 -1.568 -7.361 293 HD2 PRO 43 1HD PRO 43 15.137 -0.480 -8.024 294 HD3 PRO 43 2HD PRO 43 14.660 -0.785 -6.341 295 H SER 44 H SER 44 14.695 -5.931 -8.158 296 HA SER 44 HA SER 44 16.396 -5.762 -10.551 297 HB2 SER 44 1HB SER 44 15.307 -8.158 -9.059 298 HB3 SER 44 2HB SER 44 16.180 -8.265 -10.587 299 HG SER 44 HG SER 44 17.113 -7.658 -8.036 300 H SER 45 H SER 45 15.560 -6.004 -12.562 301 HA SER 45 HA SER 45 12.632 -6.104 -12.752 302 HB2 SER 45 1HB SER 45 14.100 -4.176 -13.729 303 HB3 SER 45 2HB SER 45 14.429 -5.323 -15.028 304 HG SER 45 HG SER 45 11.937 -4.252 -14.222 305 H GLY 46 H GLY 46 11.702 -7.229 -14.637 306 HA2 GLY 46 1HA GLY 46 13.002 -9.822 -14.959 307 HA3 GLY 46 2HA GLY 46 11.342 -9.430 -15.382 Start of MODEL 19 1 H1 GLY 1 H GLY 1 15.491 -21.718 -15.608 2 HA2 GLY 1 1HA GLY 1 13.315 -20.645 -15.391 3 HA3 GLY 1 2HA GLY 1 12.899 -21.313 -16.962 4 H SER 2 H SER 2 13.496 -22.103 -13.583 5 HA SER 2 HA SER 2 12.427 -24.786 -13.939 6 HB2 SER 2 1HB SER 2 13.573 -23.341 -11.544 7 HB3 SER 2 2HB SER 2 12.899 -24.968 -11.459 8 HG SER 2 HG SER 2 14.904 -25.468 -11.937 9 H SER 3 H SER 3 11.682 -21.912 -11.969 10 HA SER 3 HA SER 3 9.281 -22.853 -10.888 11 HB2 SER 3 1HB SER 3 8.770 -20.481 -10.430 12 HB3 SER 3 2HB SER 3 10.436 -20.880 -10.009 13 HG SER 3 HG SER 3 10.701 -20.116 -12.400 14 H GLY 4 H GLY 4 7.122 -21.644 -11.353 15 HA2 GLY 4 1HA GLY 4 6.667 -21.106 -14.172 16 HA3 GLY 4 2HA GLY 4 5.896 -22.558 -13.549 17 H SER 5 H SER 5 4.736 -20.055 -14.611 18 HA SER 5 HA SER 5 2.976 -19.492 -12.331 19 HB2 SER 5 1HB SER 5 4.242 -17.424 -14.140 20 HB3 SER 5 2HB SER 5 2.902 -17.085 -13.044 21 HG SER 5 HG SER 5 4.242 -17.079 -11.421 22 H SER 6 H SER 6 0.992 -20.061 -12.888 23 HA SER 6 HA SER 6 -0.107 -19.223 -15.440 24 HB2 SER 6 1HB SER 6 0.952 -21.529 -15.750 25 HB3 SER 6 2HB SER 6 -0.310 -22.137 -14.678 26 HG SER 6 HG SER 6 -1.671 -20.803 -16.334 27 H GLY 7 H GLY 7 -2.106 -18.492 -15.135 28 HA2 GLY 7 1HA GLY 7 -4.101 -18.013 -14.102 29 HA3 GLY 7 2HA GLY 7 -4.153 -19.732 -13.737 30 H GLU 8 H GLU 8 -3.467 -16.558 -12.527 31 HA GLU 8 HA GLU 8 -3.082 -17.702 -9.837 32 HB2 GLU 8 1HB GLU 8 -2.033 -15.080 -10.918 33 HB3 GLU 8 2HB GLU 8 -1.828 -15.657 -9.271 34 HG2 GLU 8 1HG GLU 8 -0.588 -17.608 -10.162 35 HG3 GLU 8 2HG GLU 8 -0.703 -16.896 -11.770 36 H GLY 9 H GLY 9 -4.225 -14.746 -11.482 37 HA2 GLY 9 1HA GLY 9 -6.731 -14.427 -10.934 38 HA3 GLY 9 2HA GLY 9 -6.138 -14.354 -9.281 39 H GLU 10 H GLU 10 -5.792 -12.822 -12.462 40 HA GLU 10 HA GLU 10 -4.508 -10.491 -11.430 41 HB2 GLU 10 1HB GLU 10 -4.476 -11.440 -13.841 42 HB3 GLU 10 2HB GLU 10 -5.998 -10.581 -14.038 43 HG2 GLU 10 1HG GLU 10 -4.810 -8.498 -13.318 44 HG3 GLU 10 2HG GLU 10 -3.304 -9.412 -13.401 45 H LYS 11 H LYS 11 -5.342 -8.537 -10.868 46 HA LYS 11 HA LYS 11 -8.282 -8.324 -10.807 47 HB2 LYS 11 1HB LYS 11 -6.202 -7.492 -8.802 48 HB3 LYS 11 2HB LYS 11 -7.791 -6.739 -8.822 49 HG2 LYS 11 1HG LYS 11 -7.487 -9.715 -8.687 50 HG3 LYS 11 2HG LYS 11 -7.396 -8.711 -7.238 51 HD2 LYS 11 1HD LYS 11 -9.630 -7.711 -8.097 52 HD3 LYS 11 2HD LYS 11 -9.712 -9.174 -9.080 53 HE2 LYS 11 1HE LYS 11 -9.298 -10.444 -6.901 54 HE3 LYS 11 2HE LYS 11 -9.671 -8.926 -6.086 55 HZ1 LYS 11 3HZ LYS 11 -11.436 -10.712 -7.586 56 HZ2 LYS 11 1HZ LYS 11 -11.761 -9.053 -7.650 57 HZ3 LYS 11 2HZ LYS 11 -11.729 -9.851 -6.159 58 HA PRO 12 HA PRO 12 -8.034 -4.593 -13.108 59 HB2 PRO 12 1HB PRO 12 -10.110 -3.189 -12.065 60 HB3 PRO 12 2HB PRO 12 -10.331 -4.588 -13.123 61 HG2 PRO 12 1HG PRO 12 -10.481 -4.429 -10.138 62 HG3 PRO 12 2HG PRO 12 -11.544 -5.288 -11.267 63 HD2 PRO 12 1HD PRO 12 -9.599 -6.539 -9.858 64 HD3 PRO 12 2HD PRO 12 -10.090 -7.063 -11.482 65 H TYR 13 H TYR 13 -7.572 -4.625 -9.728 66 HA TYR 13 HA TYR 13 -6.356 -1.950 -9.861 67 HB2 TYR 13 1HB TYR 13 -7.924 -3.059 -7.524 68 HB3 TYR 13 2HB TYR 13 -7.097 -1.506 -7.564 69 HD1 TYR 13 HD2 TYR 13 -7.873 0.188 -9.340 70 HD2 TYR 13 HD1 TYR 13 -10.147 -3.227 -8.214 71 HE1 TYR 13 HE2 TYR 13 -9.900 1.249 -10.242 72 HE2 TYR 13 HE1 TYR 13 -12.181 -2.176 -9.114 73 HH TYR 13 HH TYR 13 -12.839 0.517 -9.513 74 H GLN 14 H GLN 14 -4.480 -3.393 -10.340 75 HA GLN 14 HA GLN 14 -3.297 -4.410 -7.840 76 HB2 GLN 14 1HB GLN 14 -3.790 -6.173 -9.535 77 HB3 GLN 14 2HB GLN 14 -2.696 -5.359 -10.646 78 HG2 GLN 14 1HG GLN 14 -0.851 -5.714 -9.074 79 HG3 GLN 14 2HG GLN 14 -1.952 -6.559 -7.987 80 HE21 GLN 14 1HE2 GLN 14 0.430 -7.600 -9.166 81 HE22 GLN 14 2HE2 GLN 14 -0.030 -8.942 -10.153 82 H CYS 15 H CYS 15 -1.447 -3.511 -7.189 83 HA CYS 15 HA CYS 15 -0.306 -1.369 -8.763 84 HB2 CYS 15 1HB CYS 15 -0.602 -1.018 -6.378 85 HB3 CYS 15 2HB CYS 15 0.383 -2.432 -6.016 86 H SER 16 H SER 16 1.215 -1.718 -10.227 87 HA SER 16 HA SER 16 2.685 -4.173 -10.343 88 HB2 SER 16 1HB SER 16 3.827 -3.060 -12.295 89 HB3 SER 16 2HB SER 16 2.070 -3.141 -12.423 90 HG SER 16 HG SER 16 3.724 -0.927 -11.935 91 H GLU 17 H GLU 17 3.469 -0.809 -9.561 92 HA GLU 17 HA GLU 17 6.124 -0.690 -9.384 93 HB2 GLU 17 1HB GLU 17 3.994 0.306 -7.562 94 HB3 GLU 17 2HB GLU 17 5.655 0.414 -6.997 95 HG2 GLU 17 1HG GLU 17 4.735 2.443 -8.171 96 HG3 GLU 17 2HG GLU 17 6.279 1.831 -8.762 97 H CYS 18 H CYS 18 4.101 -2.335 -6.972 98 HA CYS 18 HA CYS 18 6.521 -3.724 -6.023 99 HB2 CYS 18 1HB CYS 18 5.311 -3.968 -3.839 100 HB3 CYS 18 2HB CYS 18 5.721 -2.307 -4.257 101 H GLY 19 H GLY 19 2.989 -4.036 -6.365 102 HA2 GLY 19 1HA GLY 19 2.215 -5.981 -7.680 103 HA3 GLY 19 2HA GLY 19 3.409 -6.929 -6.806 104 H LYS 20 H LYS 20 0.813 -4.645 -5.924 105 HA LYS 20 HA LYS 20 -0.142 -6.657 -3.992 106 HB2 LYS 20 1HB LYS 20 -0.440 -3.666 -3.711 107 HB3 LYS 20 2HB LYS 20 -0.799 -4.894 -2.504 108 HG2 LYS 20 1HG LYS 20 1.977 -4.737 -3.542 109 HG3 LYS 20 2HG LYS 20 1.424 -3.475 -2.437 110 HD2 LYS 20 1HD LYS 20 2.211 -4.979 -0.913 111 HD3 LYS 20 2HD LYS 20 0.557 -5.576 -1.070 112 HE2 LYS 20 1HE LYS 20 1.500 -7.077 -2.933 113 HE3 LYS 20 2HE LYS 20 3.080 -6.680 -2.260 114 HZ1 LYS 20 3HZ LYS 20 1.834 -7.391 -0.052 115 HZ2 LYS 20 1HZ LYS 20 2.626 -8.512 -1.041 116 HZ3 LYS 20 2HZ LYS 20 0.948 -8.328 -1.148 117 H SER 21 H SER 21 -2.496 -6.301 -3.394 118 HA SER 21 HA SER 21 -4.045 -5.431 -5.741 119 HB2 SER 21 1HB SER 21 -3.836 -7.937 -5.585 120 HB3 SER 21 2HB SER 21 -4.707 -7.853 -4.054 121 HG SER 21 HG SER 21 -5.816 -6.621 -6.312 122 H PHE 22 H PHE 22 -6.250 -4.817 -5.293 123 HA PHE 22 HA PHE 22 -7.022 -4.412 -2.531 124 HB2 PHE 22 1HB PHE 22 -6.642 -2.043 -4.375 125 HB3 PHE 22 2HB PHE 22 -7.295 -1.989 -2.741 126 HD1 PHE 22 HD2 PHE 22 -5.824 -2.454 -0.809 127 HD2 PHE 22 HD1 PHE 22 -4.309 -2.127 -4.773 128 HE1 PHE 22 HE2 PHE 22 -3.554 -2.146 0.088 129 HE2 PHE 22 HE1 PHE 22 -2.036 -1.820 -3.882 130 HZ PHE 22 HZ PHE 22 -1.656 -1.828 -1.449 131 H SER 23 H SER 23 -9.229 -3.858 -2.277 132 HA SER 23 HA SER 23 -10.856 -4.637 -4.568 133 HB2 SER 23 1HB SER 23 -11.665 -4.170 -1.687 134 HB3 SER 23 2HB SER 23 -12.678 -4.870 -2.950 135 HG SER 23 HG SER 23 -10.229 -5.966 -2.023 136 H GLY 24 H GLY 24 -9.689 -2.125 -4.842 137 HA2 GLY 24 1HA GLY 24 -11.924 -0.535 -5.484 138 HA3 GLY 24 2HA GLY 24 -11.238 0.040 -3.972 139 H SER 25 H SER 25 -11.357 1.618 -6.268 140 HA SER 25 HA SER 25 -8.841 1.559 -7.646 141 HB2 SER 25 1HB SER 25 -11.167 2.531 -8.408 142 HB3 SER 25 2HB SER 25 -10.591 3.990 -7.600 143 HG SER 25 HG SER 25 -8.769 3.946 -8.956 144 H TYR 26 H TYR 26 -10.317 3.894 -5.388 145 HA TYR 26 HA TYR 26 -8.092 5.522 -5.042 146 HB2 TYR 26 1HB TYR 26 -10.431 5.992 -4.248 147 HB3 TYR 26 2HB TYR 26 -10.139 4.887 -2.910 148 HD1 TYR 26 HD2 TYR 26 -7.967 5.425 -1.497 149 HD2 TYR 26 HD1 TYR 26 -10.034 8.245 -3.922 150 HE1 TYR 26 HE2 TYR 26 -6.983 7.261 -0.190 151 HE2 TYR 26 HE1 TYR 26 -9.054 10.089 -2.622 152 HH TYR 26 HH TYR 26 -7.149 10.524 -1.191 153 H ARG 27 H ARG 27 -9.096 2.677 -3.166 154 HA ARG 27 HA ARG 27 -7.222 2.663 -1.173 155 HB2 ARG 27 1HB ARG 27 -8.643 0.515 -2.668 156 HB3 ARG 27 2HB ARG 27 -7.310 0.040 -1.624 157 HG2 ARG 27 1HG ARG 27 -9.060 -0.137 -0.173 158 HG3 ARG 27 2HG ARG 27 -8.567 1.530 0.129 159 HD2 ARG 27 1HD ARG 27 -10.297 2.329 -1.388 160 HD3 ARG 27 2HD ARG 27 -10.769 0.668 -1.743 161 HE ARG 27 HE ARG 27 -10.889 1.315 1.051 162 HH11 ARG 27 1HH1 ARG 27 -12.598 1.428 -1.980 163 HH12 ARG 27 2HH1 ARG 27 -14.166 1.474 -1.244 164 HH21 ARG 27 1HH2 ARG 27 -12.947 1.376 2.032 165 HH22 ARG 27 2HH2 ARG 27 -14.363 1.445 1.039 166 H LEU 28 H LEU 28 -6.811 1.561 -4.508 167 HA LEU 28 HA LEU 28 -4.179 0.562 -4.164 168 HB2 LEU 28 1HB LEU 28 -5.567 -0.148 -6.015 169 HB3 LEU 28 2HB LEU 28 -5.630 1.502 -6.633 170 HG LEU 28 HG LEU 28 -2.992 1.152 -6.717 171 HD11 LEU 28 1HD1 LEU 28 -2.810 -1.022 -5.856 172 HD12 LEU 28 2HD1 LEU 28 -2.640 -1.208 -7.601 173 HD13 LEU 28 3HD1 LEU 28 -4.167 -1.610 -6.816 174 HD21 LEU 28 3HD2 LEU 28 -3.829 -0.110 -9.056 175 HD22 LEU 28 1HD2 LEU 28 -3.590 1.619 -8.806 176 HD23 LEU 28 2HD2 LEU 28 -5.187 0.908 -8.574 177 H THR 29 H THR 29 -5.351 3.551 -5.719 178 HA THR 29 HA THR 29 -2.929 4.740 -6.264 179 HB THR 29 HB THR 29 -5.473 6.112 -5.374 180 HG1 THR 29 HG1 THR 29 -5.438 4.717 -7.341 181 HG21 THR 29 3HG2 THR 29 -4.579 8.129 -5.903 182 HG22 THR 29 1HG2 THR 29 -3.554 7.463 -7.174 183 HG23 THR 29 2HG2 THR 29 -3.071 7.318 -5.484 184 H GLN 30 H GLN 30 -4.920 5.505 -3.399 185 HA GLN 30 HA GLN 30 -3.257 7.090 -1.991 186 HB2 GLN 30 1HB GLN 30 -4.292 6.307 0.043 187 HB3 GLN 30 2HB GLN 30 -5.500 6.341 -1.235 188 HG2 GLN 30 1HG GLN 30 -5.618 4.042 -1.371 189 HG3 GLN 30 2HG GLN 30 -4.025 3.815 -0.651 190 HE21 GLN 30 1HE2 GLN 30 -4.898 2.321 0.816 191 HE22 GLN 30 2HE2 GLN 30 -5.823 2.832 2.182 192 H HIS 31 H HIS 31 -2.851 3.668 -2.531 193 HA HIS 31 HA HIS 31 -0.706 3.411 -0.612 194 HB2 HIS 31 1HB HIS 31 -1.796 1.391 -0.789 195 HB3 HIS 31 2HB HIS 31 -2.109 1.588 -2.511 196 HD1 HIS 31 HD1 HIS 31 0.256 0.088 -0.121 197 HD2 HIS 31 HD2 HIS 31 0.128 0.926 -4.189 198 HE1 HIS 31 HE1 HIS 31 2.120 -1.255 -1.143 199 H TRP 32 H TRP 32 -1.029 3.500 -4.142 200 HA TRP 32 HA TRP 32 1.512 2.993 -4.973 201 HB2 TRP 32 1HB TRP 32 -0.605 4.850 -5.971 202 HB3 TRP 32 2HB TRP 32 0.994 4.923 -6.707 203 HD1 TRP 32 HD1 TRP 32 -1.048 1.794 -5.650 204 HE1 TRP 32 HE1 TRP 32 -1.266 0.263 -7.708 205 HE3 TRP 32 HE3 TRP 32 1.280 4.750 -9.111 206 HZ2 TRP 32 HZ2 TRP 32 -0.546 0.303 -10.437 207 HZ3 TRP 32 HZ3 TRP 32 1.474 3.930 -11.423 208 HH2 TRP 32 HH2 TRP 32 0.580 1.752 -12.070 209 H ILE 33 H ILE 33 0.317 5.991 -3.550 210 HA ILE 33 HA ILE 33 2.486 7.653 -4.005 211 HB ILE 33 HB ILE 33 0.606 7.528 -1.652 212 HG12 ILE 33 1HG1 ILE 33 0.005 9.809 -2.896 213 HG13 ILE 33 2HG1 ILE 33 0.692 8.951 -4.270 214 HG21 ILE 33 1HG2 ILE 33 2.245 8.699 -0.612 215 HG22 ILE 33 2HG2 ILE 33 2.975 9.235 -2.125 216 HG23 ILE 33 3HG2 ILE 33 1.524 10.030 -1.516 217 HD11 ILE 33 3HD1 ILE 33 -1.009 7.447 -4.357 218 HD12 ILE 33 1HD1 ILE 33 -1.335 7.545 -2.627 219 HD13 ILE 33 2HD1 ILE 33 -1.873 8.837 -3.701 220 H THR 34 H THR 34 2.032 5.185 -1.534 221 HA THR 34 HA THR 34 4.031 5.691 0.244 222 HB THR 34 HB THR 34 4.221 3.295 0.643 223 HG1 THR 34 HG1 THR 34 3.991 2.964 -1.842 224 HG21 THR 34 3HG2 THR 34 1.471 2.992 0.261 225 HG22 THR 34 1HG2 THR 34 1.716 4.723 0.482 226 HG23 THR 34 2HG2 THR 34 2.283 3.588 1.708 227 H HIS 35 H HIS 35 4.374 4.738 -3.072 228 HA HIS 35 HA HIS 35 7.130 3.944 -2.850 229 HB2 HIS 35 1HB HIS 35 5.525 4.630 -5.321 230 HB3 HIS 35 2HB HIS 35 7.075 3.796 -5.287 231 HD1 HIS 35 HD1 HIS 35 6.794 1.550 -3.463 232 HD2 HIS 35 HD2 HIS 35 3.581 2.825 -5.768 233 HE1 HIS 35 HE1 HIS 35 5.234 -0.419 -3.589 234 H THR 36 H THR 36 5.368 6.844 -3.783 235 HA THR 36 HA THR 36 7.753 8.250 -4.597 236 HB THR 36 HB THR 36 5.014 9.414 -4.071 237 HG1 THR 36 HG1 THR 36 6.114 8.350 -6.480 238 HG21 THR 36 3HG2 THR 36 7.533 10.529 -4.885 239 HG22 THR 36 1HG2 THR 36 6.004 11.348 -4.569 240 HG23 THR 36 2HG2 THR 36 6.348 10.713 -6.178 241 H ARG 37 H ARG 37 8.053 7.285 -2.011 242 HA ARG 37 HA ARG 37 7.763 9.672 -0.320 243 HB2 ARG 37 1HB ARG 37 8.199 6.769 0.389 244 HB3 ARG 37 2HB ARG 37 8.264 8.076 1.563 245 HG2 ARG 37 1HG ARG 37 5.859 7.545 -0.157 246 HG3 ARG 37 2HG ARG 37 6.094 6.813 1.431 247 HD2 ARG 37 1HD ARG 37 6.205 9.784 0.993 248 HD3 ARG 37 2HD ARG 37 4.695 8.938 1.329 249 HE ARG 37 HE ARG 37 6.652 8.274 3.261 250 HH11 ARG 37 1HH1 ARG 37 4.525 10.852 2.287 251 HH12 ARG 37 2HH1 ARG 37 4.394 11.521 3.879 252 HH21 ARG 37 1HH2 ARG 37 6.488 9.146 5.362 253 HH22 ARG 37 2HH2 ARG 37 5.511 10.551 5.628 254 H GLU 38 H GLU 38 10.090 6.988 -0.688 255 HA GLU 38 HA GLU 38 12.268 8.254 0.469 256 HB2 GLU 38 1HB GLU 38 12.074 6.106 -1.630 257 HB3 GLU 38 2HB GLU 38 13.629 6.680 -1.045 258 HG2 GLU 38 1HG GLU 38 13.045 6.024 1.218 259 HG3 GLU 38 2HG GLU 38 11.457 5.494 0.667 260 H LYS 39 H LYS 39 14.358 8.735 -0.834 261 HA LYS 39 HA LYS 39 14.151 11.135 -2.107 262 HB2 LYS 39 1HB LYS 39 16.200 8.971 -2.161 263 HB3 LYS 39 2HB LYS 39 16.358 10.281 -3.324 264 HG2 LYS 39 1HG LYS 39 16.063 11.803 -1.230 265 HG3 LYS 39 2HG LYS 39 16.555 10.354 -0.350 266 HD2 LYS 39 1HD LYS 39 18.544 10.242 -1.909 267 HD3 LYS 39 2HD LYS 39 18.091 11.857 -2.460 268 HE2 LYS 39 1HE LYS 39 19.785 12.036 -0.752 269 HE3 LYS 39 2HE LYS 39 18.258 12.660 -0.130 270 HZ1 LYS 39 3HZ LYS 39 19.045 9.859 0.357 271 HZ2 LYS 39 1HZ LYS 39 17.970 10.829 1.233 272 HZ3 LYS 39 2HZ LYS 39 19.636 11.101 1.342 273 HA PRO 40 HA PRO 40 12.395 10.421 -6.079 274 HB2 PRO 40 1HB PRO 40 13.358 12.601 -7.380 275 HB3 PRO 40 2HB PRO 40 12.066 12.693 -6.178 276 HG2 PRO 40 1HG PRO 40 14.988 13.262 -5.865 277 HG3 PRO 40 2HG PRO 40 13.598 14.169 -5.239 278 HD2 PRO 40 1HD PRO 40 15.037 12.465 -3.703 279 HD3 PRO 40 2HD PRO 40 13.297 12.728 -3.465 280 H SER 41 H SER 41 15.616 10.062 -5.389 281 HA SER 41 HA SER 41 16.276 9.360 -8.175 282 HB2 SER 41 1HB SER 41 17.705 11.150 -7.308 283 HB3 SER 41 2HB SER 41 18.146 10.147 -5.926 284 HG SER 41 HG SER 41 19.479 10.261 -8.071 285 H GLY 42 H GLY 42 15.307 7.280 -7.909 286 HA2 GLY 42 1HA GLY 42 16.783 5.476 -6.099 287 HA3 GLY 42 2HA GLY 42 15.147 5.195 -6.676 288 HA PRO 43 HA PRO 43 18.201 2.793 -9.279 289 HB2 PRO 43 1HB PRO 43 17.031 0.372 -8.901 290 HB3 PRO 43 2HB PRO 43 18.270 1.020 -7.819 291 HG2 PRO 43 1HG PRO 43 15.294 1.001 -7.496 292 HG3 PRO 43 2HG PRO 43 16.552 0.653 -6.295 293 HD2 PRO 43 1HD PRO 43 15.276 3.038 -6.418 294 HD3 PRO 43 2HD PRO 43 16.966 2.885 -5.897 295 H SER 44 H SER 44 17.841 2.212 -11.381 296 HA SER 44 HA SER 44 15.794 3.161 -12.852 297 HB2 SER 44 1HB SER 44 16.457 1.733 -14.630 298 HB3 SER 44 2HB SER 44 17.914 1.993 -13.670 299 HG SER 44 HG SER 44 16.964 -0.072 -12.573 300 H SER 45 H SER 45 13.750 2.614 -13.430 301 HA SER 45 HA SER 45 12.650 0.024 -12.739 302 HB2 SER 45 1HB SER 45 12.446 1.428 -10.656 303 HB3 SER 45 2HB SER 45 11.395 2.514 -11.566 304 HG SER 45 HG SER 45 9.825 1.153 -11.303 305 H GLY 46 H GLY 46 10.476 -0.290 -13.595 306 HA2 GLY 46 1HA GLY 46 8.800 1.245 -14.958 307 HA3 GLY 46 2HA GLY 46 10.147 1.195 -16.086 Start of MODEL 20 1 H1 GLY 1 H GLY 1 11.194 -17.709 2.254 2 HA2 GLY 1 1HA GLY 1 11.466 -14.916 1.536 3 HA3 GLY 1 2HA GLY 1 11.932 -16.043 0.271 4 H SER 2 H SER 2 9.374 -14.392 1.736 5 HA SER 2 HA SER 2 7.500 -15.423 -0.179 6 HB2 SER 2 1HB SER 2 6.994 -15.932 2.763 7 HB3 SER 2 2HB SER 2 5.838 -16.214 1.462 8 HG SER 2 HG SER 2 8.344 -17.499 1.821 9 H SER 3 H SER 3 5.891 -13.987 -0.599 10 HA SER 3 HA SER 3 5.698 -11.638 1.170 11 HB2 SER 3 1HB SER 3 5.419 -10.218 -0.789 12 HB3 SER 3 2HB SER 3 6.927 -11.123 -0.927 13 HG SER 3 HG SER 3 4.584 -12.182 -2.048 14 H GLY 4 H GLY 4 4.095 -14.145 -0.482 15 HA2 GLY 4 1HA GLY 4 1.785 -14.476 0.477 16 HA3 GLY 4 2HA GLY 4 1.488 -12.825 -0.046 17 H SER 5 H SER 5 1.836 -16.136 -1.037 18 HA SER 5 HA SER 5 2.035 -16.150 -3.711 19 HB2 SER 5 1HB SER 5 0.223 -17.705 -1.895 20 HB3 SER 5 2HB SER 5 0.123 -17.943 -3.640 21 HG SER 5 HG SER 5 2.425 -18.259 -2.010 22 H SER 6 H SER 6 0.658 -15.946 -5.517 23 HA SER 6 HA SER 6 -1.177 -13.753 -5.324 24 HB2 SER 6 1HB SER 6 -0.117 -15.450 -7.554 25 HB3 SER 6 2HB SER 6 -1.533 -14.439 -7.837 26 HG SER 6 HG SER 6 1.109 -13.722 -7.415 27 H GLY 7 H GLY 7 -3.328 -13.970 -6.604 28 HA2 GLY 7 1HA GLY 7 -4.696 -16.391 -5.603 29 HA3 GLY 7 2HA GLY 7 -5.444 -14.803 -5.675 30 H GLU 8 H GLU 8 -6.607 -17.077 -6.802 31 HA GLU 8 HA GLU 8 -6.054 -17.329 -9.571 32 HB2 GLU 8 1HB GLU 8 -8.230 -18.209 -7.739 33 HB3 GLU 8 2HB GLU 8 -8.568 -18.209 -9.464 34 HG2 GLU 8 1HG GLU 8 -6.738 -19.705 -9.879 35 HG3 GLU 8 2HG GLU 8 -6.230 -19.613 -8.194 36 H GLY 9 H GLY 9 -6.584 -16.051 -11.218 37 HA2 GLY 9 1HA GLY 9 -8.202 -14.770 -12.446 38 HA3 GLY 9 2HA GLY 9 -8.882 -14.236 -10.916 39 H GLU 10 H GLU 10 -8.256 -12.459 -12.961 40 HA GLU 10 HA GLU 10 -5.821 -11.128 -11.982 41 HB2 GLU 10 1HB GLU 10 -5.780 -11.626 -14.368 42 HB3 GLU 10 2HB GLU 10 -7.309 -10.787 -14.591 43 HG2 GLU 10 1HG GLU 10 -6.315 -8.682 -14.088 44 HG3 GLU 10 2HG GLU 10 -4.811 -9.451 -13.585 45 H LYS 11 H LYS 11 -6.266 -9.658 -10.481 46 HA LYS 11 HA LYS 11 -8.802 -8.413 -10.184 47 HB2 LYS 11 1HB LYS 11 -7.704 -7.070 -8.440 48 HB3 LYS 11 2HB LYS 11 -7.343 -8.782 -8.269 49 HG2 LYS 11 1HG LYS 11 -5.231 -8.103 -9.714 50 HG3 LYS 11 2HG LYS 11 -5.561 -6.527 -8.992 51 HD2 LYS 11 1HD LYS 11 -4.190 -7.397 -7.386 52 HD3 LYS 11 2HD LYS 11 -5.744 -7.982 -6.787 53 HE2 LYS 11 1HE LYS 11 -4.255 -9.676 -8.725 54 HE3 LYS 11 2HE LYS 11 -3.657 -9.588 -7.068 55 HZ1 LYS 11 3HZ LYS 11 -6.148 -10.056 -6.516 56 HZ2 LYS 11 1HZ LYS 11 -5.108 -11.327 -6.921 57 HZ3 LYS 11 2HZ LYS 11 -6.174 -10.706 -8.078 58 HA PRO 12 HA PRO 12 -8.448 -5.017 -12.961 59 HB2 PRO 12 1HB PRO 12 -10.168 -3.290 -11.766 60 HB3 PRO 12 2HB PRO 12 -10.706 -4.721 -12.654 61 HG2 PRO 12 1HG PRO 12 -10.386 -4.332 -9.703 62 HG3 PRO 12 2HG PRO 12 -11.699 -5.127 -10.591 63 HD2 PRO 12 1HD PRO 12 -9.722 -6.512 -9.364 64 HD3 PRO 12 2HD PRO 12 -10.508 -7.084 -10.850 65 H TYR 13 H TYR 13 -7.650 -4.765 -9.613 66 HA TYR 13 HA TYR 13 -6.045 -2.369 -10.196 67 HB2 TYR 13 1HB TYR 13 -7.470 -2.899 -7.583 68 HB3 TYR 13 2HB TYR 13 -6.519 -1.476 -7.993 69 HD1 TYR 13 HD2 TYR 13 -7.356 -0.110 -10.058 70 HD2 TYR 13 HD1 TYR 13 -9.771 -2.853 -7.878 71 HE1 TYR 13 HE2 TYR 13 -9.378 1.001 -10.911 72 HE2 TYR 13 HE1 TYR 13 -11.799 -1.750 -8.726 73 HH TYR 13 HH TYR 13 -11.979 1.138 -9.876 74 H GLN 14 H GLN 14 -4.060 -3.260 -10.322 75 HA GLN 14 HA GLN 14 -3.034 -4.563 -7.910 76 HB2 GLN 14 1HB GLN 14 -3.632 -6.350 -9.508 77 HB3 GLN 14 2HB GLN 14 -2.576 -5.614 -10.707 78 HG2 GLN 14 1HG GLN 14 -0.723 -5.906 -8.957 79 HG3 GLN 14 2HG GLN 14 -1.845 -7.012 -8.165 80 HE21 GLN 14 1HE2 GLN 14 0.779 -7.166 -9.821 81 HE22 GLN 14 2HE2 GLN 14 0.484 -8.503 -10.875 82 H CYS 15 H CYS 15 -1.552 -3.148 -7.245 83 HA CYS 15 HA CYS 15 -0.246 -1.206 -8.650 84 HB2 CYS 15 1HB CYS 15 -0.126 -1.321 -6.233 85 HB3 CYS 15 2HB CYS 15 0.798 -2.817 -6.314 86 H SER 16 H SER 16 1.215 -1.155 -10.221 87 HA SER 16 HA SER 16 2.620 -3.636 -10.905 88 HB2 SER 16 1HB SER 16 3.008 -2.589 -13.098 89 HB3 SER 16 2HB SER 16 1.291 -2.599 -12.693 90 HG SER 16 HG SER 16 2.001 -0.365 -11.761 91 H GLU 17 H GLU 17 3.494 -2.033 -8.684 92 HA GLU 17 HA GLU 17 6.145 -1.233 -9.686 93 HB2 GLU 17 1HB GLU 17 4.388 0.111 -7.651 94 HB3 GLU 17 2HB GLU 17 6.131 0.338 -7.633 95 HG2 GLU 17 1HG GLU 17 5.300 2.154 -8.836 96 HG3 GLU 17 2HG GLU 17 5.910 1.044 -10.062 97 H CYS 18 H CYS 18 4.270 -2.552 -7.005 98 HA CYS 18 HA CYS 18 6.733 -3.829 -6.010 99 HB2 CYS 18 1HB CYS 18 5.844 -3.688 -3.744 100 HB3 CYS 18 2HB CYS 18 5.930 -2.082 -4.461 101 H GLY 19 H GLY 19 3.208 -4.089 -6.297 102 HA2 GLY 19 1HA GLY 19 2.444 -6.238 -7.297 103 HA3 GLY 19 2HA GLY 19 3.518 -7.025 -6.151 104 H LYS 20 H LYS 20 1.606 -4.243 -5.273 105 HA LYS 20 HA LYS 20 0.227 -5.854 -3.279 106 HB2 LYS 20 1HB LYS 20 1.340 -3.532 -2.906 107 HB3 LYS 20 2HB LYS 20 -0.129 -2.893 -3.630 108 HG2 LYS 20 1HG LYS 20 -0.730 -2.820 -1.444 109 HG3 LYS 20 2HG LYS 20 -1.269 -4.456 -1.830 110 HD2 LYS 20 1HD LYS 20 -0.081 -4.894 0.069 111 HD3 LYS 20 2HD LYS 20 1.215 -5.045 -1.120 112 HE2 LYS 20 1HE LYS 20 1.780 -2.655 -0.705 113 HE3 LYS 20 2HE LYS 20 0.582 -2.642 0.588 114 HZ1 LYS 20 3HZ LYS 20 1.970 -4.704 1.378 115 HZ2 LYS 20 1HZ LYS 20 2.450 -3.128 1.766 116 HZ3 LYS 20 2HZ LYS 20 3.198 -3.951 0.491 117 H SER 21 H SER 21 -2.037 -5.894 -3.033 118 HA SER 21 HA SER 21 -3.545 -5.140 -5.451 119 HB2 SER 21 1HB SER 21 -4.062 -7.551 -3.695 120 HB3 SER 21 2HB SER 21 -4.919 -7.126 -5.177 121 HG SER 21 HG SER 21 -2.291 -8.078 -4.851 122 H PHE 22 H PHE 22 -5.899 -4.866 -5.063 123 HA PHE 22 HA PHE 22 -6.766 -4.317 -2.372 124 HB2 PHE 22 1HB PHE 22 -6.820 -1.977 -4.261 125 HB3 PHE 22 2HB PHE 22 -7.046 -1.988 -2.515 126 HD1 PHE 22 HD1 PHE 22 -4.554 -2.303 -5.213 127 HD2 PHE 22 HD2 PHE 22 -5.210 -1.802 -1.037 128 HE1 PHE 22 HE1 PHE 22 -2.175 -1.755 -4.908 129 HE2 PHE 22 HE2 PHE 22 -2.832 -1.252 -0.726 130 HZ PHE 22 HZ PHE 22 -1.311 -1.228 -2.663 131 H SER 23 H SER 23 -9.042 -3.337 -2.421 132 HA SER 23 HA SER 23 -10.533 -4.679 -4.567 133 HB2 SER 23 1HB SER 23 -10.989 -5.405 -2.232 134 HB3 SER 23 2HB SER 23 -11.527 -3.769 -1.855 135 HG SER 23 HG SER 23 -13.073 -4.096 -3.633 136 H GLY 24 H GLY 24 -9.429 -2.242 -5.240 137 HA2 GLY 24 1HA GLY 24 -11.339 -0.845 -6.503 138 HA3 GLY 24 2HA GLY 24 -11.435 -0.175 -4.881 139 H SER 25 H SER 25 -10.801 1.366 -7.121 140 HA SER 25 HA SER 25 -7.995 1.690 -7.439 141 HB2 SER 25 1HB SER 25 -9.454 2.454 -9.194 142 HB3 SER 25 2HB SER 25 -10.319 3.516 -8.083 143 HG SER 25 HG SER 25 -8.327 4.675 -7.831 144 H TYR 26 H TYR 26 -10.445 3.493 -5.600 145 HA TYR 26 HA TYR 26 -9.062 5.557 -4.561 146 HB2 TYR 26 1HB TYR 26 -11.450 4.715 -4.013 147 HB3 TYR 26 2HB TYR 26 -10.679 3.839 -2.696 148 HD1 TYR 26 HD2 TYR 26 -9.684 5.042 -0.817 149 HD2 TYR 26 HD1 TYR 26 -11.643 7.126 -3.967 150 HE1 TYR 26 HE2 TYR 26 -9.774 7.061 0.583 151 HE2 TYR 26 HE1 TYR 26 -11.737 9.152 -2.575 152 HH TYR 26 HH TYR 26 -11.586 9.324 0.436 153 H ARG 27 H ARG 27 -8.831 2.199 -3.470 154 HA ARG 27 HA ARG 27 -6.990 2.767 -1.360 155 HB2 ARG 27 1HB ARG 27 -7.744 0.185 -2.735 156 HB3 ARG 27 2HB ARG 27 -6.670 0.277 -1.346 157 HG2 ARG 27 1HG ARG 27 -9.409 1.461 -1.209 158 HG3 ARG 27 2HG ARG 27 -9.170 -0.274 -0.993 159 HD2 ARG 27 1HD ARG 27 -8.997 0.423 1.177 160 HD3 ARG 27 2HD ARG 27 -7.308 0.534 0.684 161 HE ARG 27 HE ARG 27 -7.425 2.802 0.944 162 HH11 ARG 27 1HH1 ARG 27 -10.655 1.515 0.770 163 HH12 ARG 27 2HH1 ARG 27 -11.417 3.020 1.163 164 HH21 ARG 27 1HH2 ARG 27 -8.416 4.790 1.462 165 HH22 ARG 27 2HH2 ARG 27 -10.142 4.883 1.556 166 H LEU 28 H LEU 28 -6.613 1.173 -4.529 167 HA LEU 28 HA LEU 28 -3.952 0.669 -4.583 168 HB2 LEU 28 1HB LEU 28 -5.444 0.146 -6.426 169 HB3 LEU 28 2HB LEU 28 -5.592 1.859 -6.816 170 HG LEU 28 HG LEU 28 -2.957 1.628 -7.091 171 HD11 LEU 28 1HD1 LEU 28 -2.866 -0.695 -8.416 172 HD12 LEU 28 2HD1 LEU 28 -4.000 -1.135 -7.140 173 HD13 LEU 28 3HD1 LEU 28 -2.397 -0.530 -6.724 174 HD21 LEU 28 3HD2 LEU 28 -3.786 2.379 -9.025 175 HD22 LEU 28 1HD2 LEU 28 -5.254 1.414 -8.873 176 HD23 LEU 28 2HD2 LEU 28 -3.788 0.690 -9.535 177 H THR 29 H THR 29 -5.302 3.723 -5.846 178 HA THR 29 HA THR 29 -2.948 5.093 -6.221 179 HB THR 29 HB THR 29 -5.175 5.933 -6.913 180 HG1 THR 29 HG1 THR 29 -3.285 7.488 -5.560 181 HG21 THR 29 3HG2 THR 29 -6.283 5.433 -4.710 182 HG22 THR 29 1HG2 THR 29 -6.642 7.024 -5.379 183 HG23 THR 29 2HG2 THR 29 -5.481 6.863 -4.061 184 H GLN 30 H GLN 30 -4.963 5.107 -3.281 185 HA GLN 30 HA GLN 30 -3.469 6.799 -1.708 186 HB2 GLN 30 1HB GLN 30 -5.263 4.492 -1.143 187 HB3 GLN 30 2HB GLN 30 -4.279 5.102 0.181 188 HG2 GLN 30 1HG GLN 30 -6.279 6.655 -1.444 189 HG3 GLN 30 2HG GLN 30 -6.442 6.141 0.235 190 HE21 GLN 30 1HE2 GLN 30 -5.162 8.474 -1.920 191 HE22 GLN 30 2HE2 GLN 30 -4.470 9.521 -0.734 192 H HIS 31 H HIS 31 -2.841 3.459 -2.539 193 HA HIS 31 HA HIS 31 -0.681 3.187 -0.641 194 HB2 HIS 31 1HB HIS 31 -1.637 1.122 -0.991 195 HB3 HIS 31 2HB HIS 31 -1.960 1.441 -2.693 196 HD1 HIS 31 HD1 HIS 31 0.694 0.193 -0.377 197 HD2 HIS 31 HD2 HIS 31 0.116 0.778 -4.449 198 HE1 HIS 31 HE1 HIS 31 2.593 -1.010 -1.505 199 H TRP 32 H TRP 32 -0.986 3.465 -4.170 200 HA TRP 32 HA TRP 32 1.579 3.222 -5.010 201 HB2 TRP 32 1HB TRP 32 -0.641 5.029 -5.883 202 HB3 TRP 32 2HB TRP 32 0.950 5.213 -6.615 203 HD1 TRP 32 HD1 TRP 32 -0.999 1.963 -5.760 204 HE1 TRP 32 HE1 TRP 32 -1.145 0.546 -7.904 205 HE3 TRP 32 HE3 TRP 32 1.292 5.174 -9.012 206 HZ2 TRP 32 HZ2 TRP 32 -0.389 0.762 -10.615 207 HZ3 TRP 32 HZ3 TRP 32 1.542 4.493 -11.363 208 HH2 TRP 32 HH2 TRP 32 0.718 2.332 -12.146 209 H ILE 33 H ILE 33 0.198 5.958 -3.288 210 HA ILE 33 HA ILE 33 2.240 7.819 -3.628 211 HB ILE 33 HB ILE 33 0.493 7.397 -1.201 212 HG12 ILE 33 1HG1 ILE 33 0.155 9.409 -3.425 213 HG13 ILE 33 2HG1 ILE 33 -0.616 7.827 -3.453 214 HG21 ILE 33 1HG2 ILE 33 1.781 8.928 -0.226 215 HG22 ILE 33 2HG2 ILE 33 2.657 9.245 -1.723 216 HG23 ILE 33 3HG2 ILE 33 1.142 10.085 -1.393 217 HD11 ILE 33 3HD1 ILE 33 -2.069 9.669 -2.648 218 HD12 ILE 33 1HD1 ILE 33 -1.887 8.342 -1.502 219 HD13 ILE 33 2HD1 ILE 33 -0.997 9.845 -1.258 220 H THR 34 H THR 34 1.894 5.250 -1.213 221 HA THR 34 HA THR 34 3.982 5.792 0.474 222 HB THR 34 HB THR 34 4.129 3.418 0.959 223 HG1 THR 34 HG1 THR 34 3.124 1.904 -0.384 224 HG21 THR 34 3HG2 THR 34 1.306 4.293 0.342 225 HG22 THR 34 1HG2 THR 34 2.187 4.569 1.844 226 HG23 THR 34 2HG2 THR 34 1.739 2.930 1.373 227 H HIS 35 H HIS 35 4.146 4.892 -2.840 228 HA HIS 35 HA HIS 35 6.861 3.938 -2.760 229 HB2 HIS 35 1HB HIS 35 5.040 4.678 -5.056 230 HB3 HIS 35 2HB HIS 35 6.666 4.033 -5.263 231 HD1 HIS 35 HD1 HIS 35 6.698 1.742 -3.296 232 HD2 HIS 35 HD2 HIS 35 3.430 2.605 -5.711 233 HE1 HIS 35 HE1 HIS 35 5.402 -0.406 -3.465 234 H THR 36 H THR 36 5.219 6.960 -3.442 235 HA THR 36 HA THR 36 7.689 8.249 -4.281 236 HB THR 36 HB THR 36 5.518 8.777 -5.402 237 HG1 THR 36 HG1 THR 36 7.458 10.321 -4.931 238 HG21 THR 36 3HG2 THR 36 4.416 10.696 -3.734 239 HG22 THR 36 1HG2 THR 36 4.757 9.343 -2.656 240 HG23 THR 36 2HG2 THR 36 3.744 9.103 -4.079 241 H ARG 37 H ARG 37 5.845 7.790 -1.430 242 HA ARG 37 HA ARG 37 6.771 10.142 -0.058 243 HB2 ARG 37 1HB ARG 37 5.119 7.765 0.628 244 HB3 ARG 37 2HB ARG 37 5.907 8.612 1.953 245 HG2 ARG 37 1HG ARG 37 4.860 10.731 0.908 246 HG3 ARG 37 2HG ARG 37 3.801 9.591 0.075 247 HD2 ARG 37 1HD ARG 37 4.205 9.651 3.061 248 HD3 ARG 37 2HD ARG 37 2.892 10.482 2.228 249 HE ARG 37 HE ARG 37 2.617 7.957 1.354 250 HH11 ARG 37 1HH1 ARG 37 2.995 9.304 4.542 251 HH12 ARG 37 2HH1 ARG 37 2.080 8.056 5.320 252 HH21 ARG 37 1HH2 ARG 37 1.410 6.307 2.367 253 HH22 ARG 37 2HH2 ARG 37 1.180 6.351 4.082 254 H GLU 38 H GLU 38 7.662 6.730 -0.178 255 HA GLU 38 HA GLU 38 9.547 6.800 1.927 256 HB2 GLU 38 1HB GLU 38 8.463 4.766 0.748 257 HB3 GLU 38 2HB GLU 38 9.758 4.945 -0.427 258 HG2 GLU 38 1HG GLU 38 10.537 3.345 1.076 259 HG3 GLU 38 2HG GLU 38 11.354 4.834 1.548 260 H LYS 39 H LYS 39 11.633 7.393 1.999 261 HA LYS 39 HA LYS 39 12.786 9.199 0.348 262 HB2 LYS 39 1HB LYS 39 13.823 8.694 2.438 263 HB3 LYS 39 2HB LYS 39 14.109 7.024 1.967 264 HG2 LYS 39 1HG LYS 39 15.543 8.115 0.073 265 HG3 LYS 39 2HG LYS 39 15.567 9.497 1.172 266 HD2 LYS 39 1HD LYS 39 16.347 7.906 2.967 267 HD3 LYS 39 2HD LYS 39 16.553 6.698 1.696 268 HE2 LYS 39 1HE LYS 39 18.231 7.961 0.628 269 HE3 LYS 39 2HE LYS 39 17.834 9.413 1.546 270 HZ1 LYS 39 3HZ LYS 39 18.861 8.604 3.433 271 HZ2 LYS 39 1HZ LYS 39 19.888 8.047 2.209 272 HZ3 LYS 39 2HZ LYS 39 18.782 6.991 2.931 273 HA PRO 40 HA PRO 40 13.720 7.222 -3.473 274 HB2 PRO 40 1HB PRO 40 15.679 8.885 -4.347 275 HB3 PRO 40 2HB PRO 40 13.971 9.337 -4.334 276 HG2 PRO 40 1HG PRO 40 16.127 10.020 -2.373 277 HG3 PRO 40 2HG PRO 40 14.856 11.059 -3.045 278 HD2 PRO 40 1HD PRO 40 14.683 9.957 -0.578 279 HD3 PRO 40 2HD PRO 40 13.257 10.257 -1.591 280 H SER 41 H SER 41 14.625 5.247 -2.965 281 HA SER 41 HA SER 41 17.162 4.884 -1.789 282 HB2 SER 41 1HB SER 41 15.577 3.083 -1.703 283 HB3 SER 41 2HB SER 41 15.446 3.039 -3.461 284 HG SER 41 HG SER 41 17.288 1.979 -3.589 285 H GLY 42 H GLY 42 16.157 4.359 -5.177 286 HA2 GLY 42 1HA GLY 42 18.886 4.195 -6.070 287 HA3 GLY 42 2HA GLY 42 17.452 4.183 -7.086 288 HA PRO 43 HA PRO 43 19.754 8.386 -7.017 289 HB2 PRO 43 1HB PRO 43 21.282 8.113 -9.245 290 HB3 PRO 43 2HB PRO 43 21.856 7.687 -7.628 291 HG2 PRO 43 1HG PRO 43 20.782 5.911 -9.785 292 HG3 PRO 43 2HG PRO 43 22.176 5.659 -8.719 293 HD2 PRO 43 1HD PRO 43 19.775 4.487 -8.280 294 HD3 PRO 43 2HD PRO 43 20.863 4.960 -6.959 295 H SER 44 H SER 44 18.471 9.888 -7.869 296 HA SER 44 HA SER 44 16.621 9.299 -9.955 297 HB2 SER 44 1HB SER 44 17.326 11.780 -8.409 298 HB3 SER 44 2HB SER 44 16.234 11.865 -9.791 299 HG SER 44 HG SER 44 14.791 11.342 -8.347 300 H SER 45 H SER 45 17.375 8.972 -11.956 301 HA SER 45 HA SER 45 19.102 11.057 -13.118 302 HB2 SER 45 1HB SER 45 19.287 8.062 -13.424 303 HB3 SER 45 2HB SER 45 20.016 9.168 -14.589 304 HG SER 45 HG SER 45 21.624 8.985 -13.204 305 H GLY 46 H GLY 46 16.741 8.492 -13.790 306 HA2 GLY 46 1HA GLY 46 16.220 9.016 -16.457 307 HA3 GLY 46 2HA GLY 46 15.034 8.388 -15.323
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