NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15573 | 1yjv | 6480 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 -12.281 -17.748 0.278 2 2H MET 1 H2 MET 1 -12.006 -19.382 0.033 3 3H MET 1 H3 MET 1 -11.410 -18.591 1.372 4 HA MET 1 HA MET 1 -9.556 -18.637 0.040 5 1HB MET 1 2HB MET 1 -11.443 -17.916 -2.261 6 2HB MET 1 3HB MET 1 -9.685 -17.996 -2.370 7 1HG MET 1 2HG MET 1 -10.544 -20.038 -3.262 8 2HG MET 1 3HG MET 1 -9.720 -20.383 -1.745 9 1HE MET 1 1HE MET 1 -13.463 -19.056 -2.417 10 2HE MET 1 2HE MET 1 -13.110 -20.261 -3.680 11 3HE MET 1 3HE MET 1 -14.294 -20.624 -2.408 12 H GLY 2 H GLY 2 -8.323 -16.564 -0.811 13 1HA GLY 2 2HA GLY 2 -9.688 -14.059 -0.768 14 2HA GLY 2 1HA GLY 2 -8.801 -14.336 0.752 15 H ASP 3 H ASP 3 -8.207 -12.357 -1.337 16 HA ASP 3 HA ASP 3 -5.988 -13.121 -2.907 17 1HB ASP 3 2HB ASP 3 -7.611 -11.379 -3.424 18 2HB ASP 3 3HB ASP 3 -7.184 -10.462 -1.960 19 H GLY 4 H GLY 4 -3.966 -11.597 -2.685 20 1HA GLY 4 2HA GLY 4 -2.473 -12.422 -0.354 21 2HA GLY 4 1HA GLY 4 -1.946 -11.315 -1.624 22 H VAL 5 H VAL 5 -3.987 -11.513 1.273 23 HA VAL 5 HA VAL 5 -4.163 -8.675 1.659 24 HB VAL 5 HB VAL 5 -5.852 -10.099 2.530 25 1HG1 VAL 5 1HG1 VAL 5 -3.823 -11.320 4.454 26 2HG1 VAL 5 2HG1 VAL 5 -5.569 -11.595 4.441 27 3HG1 VAL 5 3HG1 VAL 5 -4.586 -12.157 3.087 28 1HG2 VAL 5 1HG2 VAL 5 -4.336 -8.899 4.888 29 2HG2 VAL 5 2HG2 VAL 5 -5.249 -7.957 3.697 30 3HG2 VAL 5 3HG2 VAL 5 -6.084 -9.136 4.737 31 H LEU 6 H LEU 6 -2.684 -7.270 2.384 32 HA LEU 6 HA LEU 6 -0.413 -8.237 4.045 33 1HB LEU 6 2HB LEU 6 -0.017 -8.531 1.530 34 2HB LEU 6 3HB LEU 6 -0.068 -6.775 1.412 35 HG LEU 6 HG LEU 6 1.790 -6.846 3.293 36 1HD1 LEU 6 1HD1 LEU 6 1.556 -9.286 3.810 37 2HD1 LEU 6 2HD1 LEU 6 1.985 -9.677 2.134 38 3HD1 LEU 6 3HD1 LEU 6 3.172 -8.910 3.202 39 1HD2 LEU 6 1HD2 LEU 6 2.360 -7.809 0.463 40 2HD2 LEU 6 2HD2 LEU 6 2.171 -6.116 0.971 41 3HD2 LEU 6 3HD2 LEU 6 3.532 -7.071 1.580 42 H GLU 7 H GLU 7 -1.585 -6.959 5.654 43 HA GLU 7 HA GLU 7 -1.747 -4.114 5.154 44 1HB GLU 7 2HB GLU 7 -3.412 -5.389 6.481 45 2HB GLU 7 3HB GLU 7 -2.226 -5.526 7.793 46 1HG GLU 7 2HG GLU 7 -2.133 -3.143 8.033 47 2HG GLU 7 3HG GLU 7 -2.991 -2.858 6.545 48 H LEU 8 H LEU 8 0.434 -3.890 4.509 49 HA LEU 8 HA LEU 8 2.522 -3.935 6.546 50 1HB LEU 8 2HB LEU 8 4.029 -3.212 4.918 51 2HB LEU 8 3HB LEU 8 3.010 -4.439 4.173 52 HG LEU 8 HG LEU 8 2.838 -1.417 3.698 53 1HD1 LEU 8 1HD1 LEU 8 3.897 -1.910 1.554 54 2HD1 LEU 8 2HD1 LEU 8 4.943 -2.425 2.885 55 3HD1 LEU 8 3HD1 LEU 8 4.008 -3.631 1.975 56 1HD2 LEU 8 1HD2 LEU 8 1.499 -2.049 1.710 57 2HD2 LEU 8 2HD2 LEU 8 1.478 -3.738 2.262 58 3HD2 LEU 8 3HD2 LEU 8 0.688 -2.460 3.217 59 H VAL 9 H VAL 9 3.819 -2.016 7.135 60 HA VAL 9 HA VAL 9 2.113 0.243 7.826 61 HB VAL 9 HB VAL 9 4.657 -0.867 8.800 62 1HG1 VAL 9 1HG1 VAL 9 4.370 2.144 8.669 63 2HG1 VAL 9 2HG1 VAL 9 5.538 1.254 9.661 64 3HG1 VAL 9 3HG1 VAL 9 5.651 1.164 7.900 65 1HG2 VAL 9 1HG2 VAL 9 2.422 -0.674 10.051 66 2HG2 VAL 9 2HG2 VAL 9 3.845 -0.048 10.909 67 3HG2 VAL 9 3HG2 VAL 9 2.717 1.074 10.152 68 H VAL 10 H VAL 10 2.370 2.301 6.773 69 HA VAL 10 HA VAL 10 4.363 2.617 4.654 70 HB VAL 10 HB VAL 10 1.378 3.234 4.495 71 1HG1 VAL 10 1HG1 VAL 10 1.951 4.051 2.233 72 2HG1 VAL 10 2HG1 VAL 10 2.785 4.972 3.499 73 3HG1 VAL 10 3HG1 VAL 10 3.677 3.748 2.574 74 1HG2 VAL 10 1HG2 VAL 10 3.160 1.196 3.089 75 2HG2 VAL 10 2HG2 VAL 10 1.700 0.885 4.043 76 3HG2 VAL 10 3HG2 VAL 10 1.584 1.688 2.464 77 H ARG 11 H ARG 11 5.442 4.492 5.099 78 HA ARG 11 HA ARG 11 4.282 6.419 7.078 79 1HB ARG 11 2HB ARG 11 7.082 5.297 6.852 80 2HB ARG 11 3HB ARG 11 6.711 6.778 7.752 81 1HG ARG 11 2HG ARG 11 5.169 5.494 9.210 82 2HG ARG 11 3HG ARG 11 5.488 4.040 8.252 83 1HD ARG 11 2HD ARG 11 6.789 3.960 10.290 84 2HD ARG 11 3HD ARG 11 7.862 4.077 8.906 85 HE ARG 11 HE ARG 11 7.154 6.211 10.896 86 1HH1 ARG 11 2HH2 ARG 11 9.370 5.178 8.260 87 2HH1 ARG 11 1HH2 ARG 11 10.175 6.612 8.202 88 1HH2 ARG 11 2HH1 ARG 11 8.548 8.054 11.061 89 2HH2 ARG 11 1HH1 ARG 11 9.968 8.136 10.060 90 H GLY 12 H GLY 12 5.303 8.551 6.941 91 1HA GLY 12 2HA GLY 12 6.059 10.386 5.705 92 2HA GLY 12 1HA GLY 12 6.080 9.434 4.221 93 H MET 13 H MET 13 3.207 8.574 5.609 94 HA MET 13 HA MET 13 1.632 10.142 3.795 95 1HB MET 13 2HB MET 13 0.699 8.351 6.076 96 2HB MET 13 3HB MET 13 -0.229 8.878 4.657 97 1HG MET 13 2HG MET 13 1.623 7.677 3.287 98 2HG MET 13 3HG MET 13 2.084 6.928 4.797 99 1HE MET 13 1HE MET 13 -1.011 6.733 6.075 100 2HE MET 13 2HE MET 13 -1.314 5.030 5.687 101 3HE MET 13 3HE MET 13 0.278 5.521 6.307 102 H THR 14 H THR 14 2.490 12.233 4.765 103 HA THR 14 HA THR 14 1.939 12.832 7.455 104 HB THR 14 HB THR 14 3.741 13.868 6.194 105 HG1 THR 14 1HG THR 14 1.843 15.422 7.560 106 1HG2 THR 14 1HG2 THR 14 2.685 14.390 4.062 107 2HG2 THR 14 2HG2 THR 14 1.564 15.530 4.843 108 3HG2 THR 14 3HG2 THR 14 3.305 15.867 4.807 109 H CYS 15 H CYS 15 -0.414 13.022 4.859 110 HA CYS 15 HA CYS 15 -2.347 14.000 6.779 111 1HB CYS 15 2HB CYS 15 -2.987 16.029 5.617 112 2HB CYS 15 3HB CYS 15 -1.285 16.126 6.035 113 H ALA 16 H ALA 16 -4.507 14.330 5.601 114 HA ALA 16 HA ALA 16 -5.381 11.979 4.397 115 1HB ALA 16 1HB ALA 16 -7.386 13.270 3.761 116 2HB ALA 16 2HB ALA 16 -6.876 13.639 5.421 117 3HB ALA 16 3HB ALA 16 -6.529 14.787 4.106 118 H SER 17 H SER 17 -4.160 14.977 2.851 119 HA SER 17 HA SER 17 -4.761 14.300 0.189 120 1HB SER 17 2HB SER 17 -2.469 16.045 1.110 121 2HB SER 17 3HB SER 17 -3.352 16.101 -0.419 122 HG SER 17 HG SER 17 -5.260 16.573 0.846 123 H CYS 18 H CYS 18 -2.147 13.157 2.315 124 HA CYS 18 HA CYS 18 -0.688 11.880 0.099 125 1HB CYS 18 2HB CYS 18 -0.586 11.323 3.092 126 2HB CYS 18 3HB CYS 18 0.448 10.654 1.842 127 H VAL 19 H VAL 19 -2.754 10.849 2.834 128 HA VAL 19 HA VAL 19 -2.862 8.159 2.292 129 HB VAL 19 HB VAL 19 -5.074 9.899 3.441 130 1HG1 VAL 19 1HG1 VAL 19 -4.679 6.897 3.699 131 2HG1 VAL 19 2HG1 VAL 19 -5.885 7.864 4.563 132 3HG1 VAL 19 3HG1 VAL 19 -6.005 7.685 2.811 133 1HG2 VAL 19 1HG2 VAL 19 -2.891 9.999 4.678 134 2HG2 VAL 19 2HG2 VAL 19 -4.141 9.172 5.610 135 3HG2 VAL 19 3HG2 VAL 19 -2.886 8.231 4.780 136 H HIS 20 H HIS 20 -5.389 10.471 1.063 137 HA HIS 20 HA HIS 20 -6.663 8.337 -0.371 138 1HB HIS 20 2HB HIS 20 -8.214 9.807 -1.126 139 2HB HIS 20 3HB HIS 20 -7.731 10.506 0.418 140 HD1 HIS 20 1HD HIS 20 -8.954 11.913 -2.410 141 HD2 HIS 20 2HD HIS 20 -5.136 12.162 -0.679 142 HE1 HIS 20 1HE HIS 20 -7.901 14.076 -3.268 143 H LYS 21 H LYS 21 -3.942 10.370 -1.192 144 HA LYS 21 HA LYS 21 -4.157 10.064 -4.079 145 1HB LYS 21 2HB LYS 21 -3.110 11.996 -3.043 146 2HB LYS 21 3HB LYS 21 -1.885 10.982 -2.265 147 1HG LYS 21 2HG LYS 21 -0.950 10.363 -4.429 148 2HG LYS 21 3HG LYS 21 -2.253 11.246 -5.261 149 1HD LYS 21 2HD LYS 21 -1.497 13.368 -4.118 150 2HD LYS 21 3HD LYS 21 -0.244 12.454 -3.286 151 1HE LYS 21 2HE LYS 21 0.758 13.656 -5.133 152 2HE LYS 21 3HE LYS 21 0.856 11.918 -5.435 153 1HZ LYS 21 1HZ LYS 21 -1.020 12.130 -6.918 154 2HZ LYS 21 2HZ LYS 21 -1.143 13.743 -6.607 155 3HZ LYS 21 3HZ LYS 21 0.182 13.150 -7.380 156 H ILE 22 H ILE 22 -2.271 8.625 -1.390 157 HA ILE 22 HA ILE 22 -0.839 6.667 -2.877 158 HB ILE 22 HB ILE 22 -1.940 6.567 -0.026 159 1HG1 ILE 22 2HG1 ILE 22 0.842 7.084 -1.086 160 2HG1 ILE 22 3HG1 ILE 22 -0.305 8.385 -0.727 161 1HG2 ILE 22 1HG2 ILE 22 0.127 4.782 -1.404 162 2HG2 ILE 22 2HG2 ILE 22 -0.239 4.767 0.330 163 3HG2 ILE 22 3HG2 ILE 22 -1.465 4.261 -0.822 164 1HD1 ILE 22 1HD1 ILE 22 -0.467 7.586 1.616 165 2HD1 ILE 22 2HD1 ILE 22 0.879 6.455 1.276 166 3HD1 ILE 22 3HD1 ILE 22 1.125 8.204 1.153 167 H GLU 23 H GLU 23 -3.963 6.466 -1.149 168 HA GLU 23 HA GLU 23 -4.712 3.892 -1.830 169 1HB GLU 23 2HB GLU 23 -5.836 5.494 -0.255 170 2HB GLU 23 3HB GLU 23 -6.549 6.341 -1.617 171 1HG GLU 23 2HG GLU 23 -6.901 3.370 -1.200 172 2HG GLU 23 3HG GLU 23 -7.936 4.578 -0.412 173 H SER 24 H SER 24 -5.907 6.804 -3.526 174 HA SER 24 HA SER 24 -7.109 5.517 -5.656 175 1HB SER 24 2HB SER 24 -7.416 7.880 -4.997 176 2HB SER 24 3HB SER 24 -5.801 8.274 -5.617 177 HG SER 24 HG SER 24 -7.964 7.213 -7.137 178 H SER 25 H SER 25 -3.670 6.449 -5.302 179 HA SER 25 HA SER 25 -3.009 6.023 -8.089 180 1HB SER 25 2HB SER 25 -1.691 7.473 -6.559 181 2HB SER 25 3HB SER 25 -1.185 6.033 -5.645 182 HG SER 25 HG SER 25 0.314 6.688 -7.309 183 H LEU 26 H LEU 26 -2.679 4.078 -5.055 184 HA LEU 26 HA LEU 26 -1.484 1.889 -6.401 185 1HB LEU 26 2HB LEU 26 -2.519 2.474 -3.686 186 2HB LEU 26 3HB LEU 26 -2.909 0.848 -4.168 187 HG LEU 26 HG LEU 26 -0.795 0.945 -2.992 188 1HD1 LEU 26 1HD1 LEU 26 -1.072 -0.804 -4.707 189 2HD1 LEU 26 2HD1 LEU 26 -0.319 0.229 -5.930 190 3HD1 LEU 26 3HD1 LEU 26 0.622 -0.297 -4.547 191 1HD2 LEU 26 1HD2 LEU 26 1.187 2.077 -3.912 192 2HD2 LEU 26 2HD2 LEU 26 0.218 2.728 -5.247 193 3HD2 LEU 26 3HD2 LEU 26 -0.118 3.234 -3.583 194 H THR 27 H THR 27 -4.888 2.553 -5.594 195 HA THR 27 HA THR 27 -5.977 0.215 -6.658 196 HB THR 27 HB THR 27 -7.076 3.028 -6.460 197 HG1 THR 27 1HG THR 27 -7.477 2.436 -4.375 198 1HG2 THR 27 1HG2 THR 27 -8.662 1.679 -7.781 199 2HG2 THR 27 2HG2 THR 27 -8.543 0.349 -6.604 200 3HG2 THR 27 3HG2 THR 27 -9.289 1.892 -6.138 201 H LYS 28 H LYS 28 -4.312 2.660 -8.469 202 HA LYS 28 HA LYS 28 -5.612 2.288 -10.982 203 1HB LYS 28 2HB LYS 28 -3.934 4.068 -10.500 204 2HB LYS 28 3HB LYS 28 -2.693 2.804 -10.309 205 1HG LYS 28 2HG LYS 28 -2.475 3.918 -12.378 206 2HG LYS 28 3HG LYS 28 -2.718 2.173 -12.529 207 1HD LYS 28 2HD LYS 28 -5.087 2.522 -13.165 208 2HD LYS 28 3HD LYS 28 -4.916 4.275 -12.906 209 1HE LYS 28 2HE LYS 28 -3.258 4.380 -14.755 210 2HE LYS 28 3HE LYS 28 -3.346 2.620 -14.953 211 1HZ LYS 28 1HZ LYS 28 -4.690 3.756 -16.564 212 2HZ LYS 28 2HZ LYS 28 -5.646 2.856 -15.575 213 3HZ LYS 28 3HZ LYS 28 -5.579 4.492 -15.392 214 H HIS 29 H HIS 29 -3.317 0.304 -9.094 215 HA HIS 29 HA HIS 29 -2.388 -1.390 -11.228 216 1HB HIS 29 2HB HIS 29 -2.787 -1.893 -8.246 217 2HB HIS 29 3HB HIS 29 -1.985 -3.003 -9.343 218 HD1 HIS 29 1HD HIS 29 0.258 -2.965 -8.044 219 HD2 HIS 29 2HD HIS 29 -1.088 0.828 -9.267 220 HE1 HIS 29 1HE HIS 29 2.165 -1.337 -7.602 221 H ARG 30 H ARG 30 -3.498 -3.146 -12.243 222 HA ARG 30 HA ARG 30 -6.178 -3.921 -11.252 223 1HB ARG 30 2HB ARG 30 -5.957 -4.142 -13.589 224 2HB ARG 30 3HB ARG 30 -4.363 -4.887 -13.500 225 1HG ARG 30 2HG ARG 30 -6.741 -6.365 -12.318 226 2HG ARG 30 3HG ARG 30 -6.513 -6.327 -14.065 227 1HD ARG 30 2HD ARG 30 -4.352 -7.299 -13.986 228 2HD ARG 30 3HD ARG 30 -4.223 -7.149 -12.247 229 HE ARG 30 HE ARG 30 -5.472 -9.277 -13.760 230 1HH1 ARG 30 2HH2 ARG 30 -5.725 -7.746 -10.510 231 2HH1 ARG 30 1HH2 ARG 30 -5.492 -9.332 -9.750 232 1HH2 ARG 30 2HH1 ARG 30 -5.007 -11.326 -12.470 233 2HH2 ARG 30 1HH1 ARG 30 -5.196 -11.117 -10.763 234 H GLY 31 H GLY 31 -2.810 -4.728 -10.700 235 1HA GLY 31 2HA GLY 31 -3.385 -7.346 -9.672 236 2HA GLY 31 1HA GLY 31 -1.857 -6.482 -9.568 237 H ILE 32 H ILE 32 -5.100 -5.512 -8.293 238 HA ILE 32 HA ILE 32 -4.384 -6.138 -5.584 239 HB ILE 32 HB ILE 32 -4.898 -3.936 -4.710 240 1HG1 ILE 32 2HG1 ILE 32 -4.633 -1.988 -6.586 241 2HG1 ILE 32 3HG1 ILE 32 -5.468 -3.223 -7.529 242 1HG2 ILE 32 1HG2 ILE 32 -2.865 -2.726 -5.186 243 2HG2 ILE 32 2HG2 ILE 32 -2.525 -4.457 -5.092 244 3HG2 ILE 32 3HG2 ILE 32 -2.606 -3.652 -6.674 245 1HD1 ILE 32 1HD1 ILE 32 -7.239 -3.302 -5.715 246 2HD1 ILE 32 2HD1 ILE 32 -6.385 -1.973 -4.908 247 3HD1 ILE 32 3HD1 ILE 32 -7.094 -1.748 -6.522 248 H LEU 33 H LEU 33 -6.307 -6.393 -4.399 249 HA LEU 33 HA LEU 33 -8.862 -5.979 -5.976 250 1HB LEU 33 2HB LEU 33 -8.389 -7.776 -3.584 251 2HB LEU 33 3HB LEU 33 -9.929 -7.488 -4.404 252 HG LEU 33 HG LEU 33 -7.498 -8.947 -5.484 253 1HD1 LEU 33 1HD1 LEU 33 -9.268 -10.059 -3.992 254 2HD1 LEU 33 2HD1 LEU 33 -10.425 -9.781 -5.298 255 3HD1 LEU 33 3HD1 LEU 33 -9.009 -10.818 -5.582 256 1HD2 LEU 33 1HD2 LEU 33 -8.854 -9.318 -7.571 257 2HD2 LEU 33 2HD2 LEU 33 -9.966 -8.040 -7.034 258 3HD2 LEU 33 3HD2 LEU 33 -8.265 -7.667 -7.404 259 H TYR 34 H TYR 34 -7.059 -4.911 -3.128 260 HA TYR 34 HA TYR 34 -9.098 -2.857 -2.682 261 1HB TYR 34 2HB TYR 34 -9.994 -4.819 -1.446 262 2HB TYR 34 3HB TYR 34 -8.450 -5.010 -0.629 263 HD1 TYR 34 HD1 TYR 34 -8.176 -4.068 1.512 264 HD2 TYR 34 HD2 TYR 34 -11.221 -2.515 -1.115 265 HE1 TYR 34 HE1 TYR 34 -9.300 -3.018 3.442 266 HE2 TYR 34 HE2 TYR 34 -12.265 -1.338 0.805 267 HH TYR 34 HH TYR 34 -11.062 -1.689 4.154 268 H CYS 35 H CYS 35 -8.254 -1.109 -1.415 269 HA CYS 35 HA CYS 35 -5.772 -1.511 0.053 270 1HB CYS 35 2HB CYS 35 -4.747 -0.731 -1.930 271 2HB CYS 35 3HB CYS 35 -5.965 0.525 -2.163 272 HG CYS 35 HG CYS 35 -3.850 1.721 -1.423 273 H SER 36 H SER 36 -6.034 -0.703 2.013 274 HA SER 36 HA SER 36 -7.783 1.670 2.454 275 1HB SER 36 2HB SER 36 -9.224 -0.063 3.005 276 2HB SER 36 3HB SER 36 -7.972 -1.004 3.826 277 HG SER 36 HG SER 36 -9.167 1.420 4.690 278 H VAL 37 H VAL 37 -6.119 2.974 2.651 279 HA VAL 37 HA VAL 37 -3.887 2.452 4.453 280 HB VAL 37 HB VAL 37 -3.327 4.909 3.581 281 1HG1 VAL 37 1HG1 VAL 37 -1.896 3.130 3.080 282 2HG1 VAL 37 2HG1 VAL 37 -3.043 2.401 1.920 283 3HG1 VAL 37 3HG1 VAL 37 -2.248 3.952 1.561 284 1HG2 VAL 37 1HG2 VAL 37 -4.149 5.440 1.429 285 2HG2 VAL 37 2HG2 VAL 37 -5.017 3.912 1.260 286 3HG2 VAL 37 3HG2 VAL 37 -5.594 5.139 2.416 287 H ALA 38 H ALA 38 -3.254 3.833 6.160 288 HA ALA 38 HA ALA 38 -5.051 5.989 6.958 289 1HB ALA 38 1HB ALA 38 -6.207 4.040 7.999 290 2HB ALA 38 2HB ALA 38 -4.702 3.655 8.876 291 3HB ALA 38 3HB ALA 38 -5.553 5.172 9.198 292 H LEU 39 H LEU 39 -3.826 7.591 7.749 293 HA LEU 39 HA LEU 39 -1.044 7.170 8.474 294 1HB LEU 39 2HB LEU 39 -0.952 9.570 8.787 295 2HB LEU 39 3HB LEU 39 -1.595 9.081 7.225 296 HG LEU 39 HG LEU 39 -3.913 9.631 8.009 297 1HD1 LEU 39 1HD1 LEU 39 -4.037 11.225 9.993 298 2HD1 LEU 39 2HD1 LEU 39 -3.831 9.537 10.425 299 3HD1 LEU 39 3HD1 LEU 39 -2.435 10.642 10.480 300 1HD2 LEU 39 1HD2 LEU 39 -3.585 12.041 7.805 301 2HD2 LEU 39 2HD2 LEU 39 -1.868 11.873 8.237 302 3HD2 LEU 39 3HD2 LEU 39 -2.475 11.191 6.718 303 H ALA 40 H ALA 40 -3.941 6.859 10.232 304 HA ALA 40 HA ALA 40 -3.002 7.701 12.819 305 1HB ALA 40 1HB ALA 40 -5.386 7.353 12.342 306 2HB ALA 40 2HB ALA 40 -5.104 5.625 12.036 307 3HB ALA 40 3HB ALA 40 -4.852 6.295 13.662 308 H THR 41 H THR 41 -3.248 4.435 11.263 309 HA THR 41 HA THR 41 -1.424 3.231 13.173 310 HB THR 41 HB THR 41 -1.756 1.658 10.848 311 HG1 THR 41 1HG THR 41 -4.276 2.551 11.771 312 1HG2 THR 41 1HG2 THR 41 -1.610 0.757 13.084 313 2HG2 THR 41 2HG2 THR 41 -3.192 1.457 13.508 314 3HG2 THR 41 3HG2 THR 41 -3.072 0.188 12.260 315 H ASN 42 H ASN 42 -1.267 4.744 9.993 316 HA ASN 42 HA ASN 42 0.432 5.292 8.610 317 1HB ASN 42 2HB ASN 42 2.476 3.969 10.465 318 2HB ASN 42 3HB ASN 42 2.772 5.052 9.111 319 1HD2 ASN 42 1HD2 ASN 42 1.239 7.162 9.329 320 2HD2 ASN 42 2HD2 ASN 42 1.036 7.751 10.956 321 H LYS 43 H LYS 43 -1.153 3.468 7.779 322 HA LYS 43 HA LYS 43 0.494 1.161 6.938 323 1HB LYS 43 2HB LYS 43 -1.100 -0.471 7.786 324 2HB LYS 43 3HB LYS 43 -0.553 0.549 9.105 325 1HG LYS 43 2HG LYS 43 -2.834 0.328 9.445 326 2HG LYS 43 3HG LYS 43 -2.707 1.954 8.734 327 1HD LYS 43 2HD LYS 43 -3.599 1.063 6.595 328 2HD LYS 43 3HD LYS 43 -3.427 -0.584 7.231 329 1HE LYS 43 2HE LYS 43 -5.076 0.203 9.091 330 2HE LYS 43 3HE LYS 43 -5.354 1.625 8.075 331 1HZ LYS 43 1HZ LYS 43 -6.945 -0.107 7.600 332 2HZ LYS 43 2HZ LYS 43 -5.931 -0.020 6.289 333 3HZ LYS 43 3HZ LYS 43 -5.715 -1.202 7.471 334 H ALA 44 H ALA 44 -0.618 -0.310 5.590 335 HA ALA 44 HA ALA 44 -2.778 0.782 3.856 336 1HB ALA 44 1HB ALA 44 -1.526 0.261 1.855 337 2HB ALA 44 2HB ALA 44 -0.602 1.414 2.840 338 3HB ALA 44 3HB ALA 44 -0.134 -0.291 2.817 339 H HIS 45 H HIS 45 -4.285 -0.650 4.491 340 HA HIS 45 HA HIS 45 -3.719 -3.600 4.409 341 1HB HIS 45 2HB HIS 45 -5.361 -2.497 6.009 342 2HB HIS 45 3HB HIS 45 -6.379 -2.186 4.632 343 HD1 HIS 45 1HD HIS 45 -6.038 -4.715 7.238 344 HD2 HIS 45 2HD HIS 45 -6.371 -4.768 3.075 345 HE1 HIS 45 1HE HIS 45 -7.059 -6.964 6.639 346 H ILE 46 H ILE 46 -2.697 -3.425 2.426 347 HA ILE 46 HA ILE 46 -4.536 -3.183 0.138 348 HB ILE 46 HB ILE 46 -2.762 -3.526 -1.287 349 1HG1 ILE 46 2HG1 ILE 46 -1.223 -4.573 1.108 350 2HG1 ILE 46 3HG1 ILE 46 -1.696 -5.460 -0.358 351 1HG2 ILE 46 1HG2 ILE 46 -2.828 -1.349 0.064 352 2HG2 ILE 46 2HG2 ILE 46 -1.465 -2.015 1.000 353 3HG2 ILE 46 3HG2 ILE 46 -1.302 -1.720 -0.746 354 1HD1 ILE 46 1HD1 ILE 46 0.354 -3.253 -0.105 355 2HD1 ILE 46 2HD1 ILE 46 0.604 -4.933 -0.617 356 3HD1 ILE 46 3HD1 ILE 46 -0.311 -3.804 -1.663 357 H LYS 47 H LYS 47 -5.221 -4.876 -1.030 358 HA LYS 47 HA LYS 47 -4.442 -7.626 -0.202 359 1HB LYS 47 2HB LYS 47 -7.063 -6.707 -1.405 360 2HB LYS 47 3HB LYS 47 -6.564 -8.389 -1.098 361 1HG LYS 47 2HG LYS 47 -6.378 -7.802 1.346 362 2HG LYS 47 3HG LYS 47 -7.064 -6.209 0.970 363 1HD LYS 47 2HD LYS 47 -9.037 -7.422 -0.103 364 2HD LYS 47 3HD LYS 47 -8.393 -8.929 0.544 365 1HE LYS 47 2HE LYS 47 -9.385 -6.488 2.116 366 2HE LYS 47 3HE LYS 47 -10.165 -8.068 1.980 367 1HZ LYS 47 1HZ LYS 47 -9.101 -8.054 4.014 368 2HZ LYS 47 2HZ LYS 47 -8.082 -8.947 3.081 369 3HZ LYS 47 3HZ LYS 47 -7.727 -7.376 3.482 370 H TYR 48 H TYR 48 -2.817 -7.999 -1.586 371 HA TYR 48 HA TYR 48 -2.816 -6.628 -4.213 372 1HB TYR 48 2HB TYR 48 -0.575 -6.708 -4.299 373 2HB TYR 48 3HB TYR 48 -0.888 -6.237 -2.631 374 HD1 TYR 48 HD1 TYR 48 -0.347 -7.870 -0.799 375 HD2 TYR 48 HD2 TYR 48 0.398 -8.831 -4.927 376 HE1 TYR 48 HE1 TYR 48 0.987 -9.859 -0.112 377 HE2 TYR 48 HE2 TYR 48 1.826 -10.717 -4.245 378 HH TYR 48 HH TYR 48 2.555 -12.009 -2.485 379 H ASP 49 H ASP 49 -2.769 -7.801 -6.053 380 HA ASP 49 HA ASP 49 -3.695 -10.544 -5.981 381 1HB ASP 49 2HB ASP 49 -4.467 -8.899 -7.631 382 2HB ASP 49 3HB ASP 49 -2.775 -8.719 -8.185 383 HA PRO 50 HA PRO 50 0.694 -11.738 -6.179 384 1HB PRO 50 2HB PRO 50 0.555 -14.336 -5.446 385 2HB PRO 50 3HB PRO 50 0.217 -12.992 -4.319 386 1HG PRO 50 2HG PRO 50 -1.789 -14.672 -5.831 387 2HG PRO 50 3HG PRO 50 -1.794 -14.210 -4.095 388 1HD PRO 50 2HD PRO 50 -3.224 -12.848 -6.047 389 2HD PRO 50 3HD PRO 50 -2.581 -12.089 -4.566 390 H GLU 51 H GLU 51 -1.535 -12.394 -8.679 391 HA GLU 51 HA GLU 51 0.469 -14.116 -10.079 392 1HB GLU 51 2HB GLU 51 -1.000 -14.215 -11.942 393 2HB GLU 51 3HB GLU 51 -1.723 -14.935 -10.508 394 1HG GLU 51 2HG GLU 51 -3.320 -13.184 -10.300 395 2HG GLU 51 3HG GLU 51 -2.395 -12.130 -11.382 396 H ILE 52 H ILE 52 -1.081 -10.886 -10.070 397 HA ILE 52 HA ILE 52 0.731 -10.034 -12.252 398 HB ILE 52 HB ILE 52 -1.242 -8.366 -10.694 399 1HG1 ILE 52 2HG1 ILE 52 -2.588 -10.037 -11.661 400 2HG1 ILE 52 3HG1 ILE 52 -2.704 -8.627 -12.685 401 1HG2 ILE 52 1HG2 ILE 52 0.079 -7.932 -13.414 402 2HG2 ILE 52 2HG2 ILE 52 -1.181 -6.902 -12.704 403 3HG2 ILE 52 3HG2 ILE 52 0.407 -7.010 -11.948 404 1HD1 ILE 52 1HD1 ILE 52 -2.596 -10.596 -14.061 405 2HD1 ILE 52 2HD1 ILE 52 -1.172 -9.583 -14.335 406 3HD1 ILE 52 3HD1 ILE 52 -1.043 -11.069 -13.357 407 H ILE 53 H ILE 53 0.472 -9.324 -8.653 408 HA ILE 53 HA ILE 53 2.689 -7.411 -8.985 409 HB ILE 53 HB ILE 53 -0.019 -7.322 -7.647 410 1HG1 ILE 53 2HG1 ILE 53 0.334 -6.217 -9.850 411 2HG1 ILE 53 3HG1 ILE 53 -0.208 -5.138 -8.554 412 1HG2 ILE 53 1HG2 ILE 53 0.646 -5.366 -6.336 413 2HG2 ILE 53 2HG2 ILE 53 1.350 -6.887 -5.761 414 3HG2 ILE 53 3HG2 ILE 53 2.348 -5.748 -6.675 415 1HD1 ILE 53 1HD1 ILE 53 2.651 -5.298 -9.586 416 2HD1 ILE 53 2HD1 ILE 53 1.449 -4.075 -10.005 417 3HD1 ILE 53 3HD1 ILE 53 2.024 -4.193 -8.339 418 H GLY 54 H GLY 54 4.087 -7.373 -7.443 419 1HA GLY 54 2HA GLY 54 3.992 -9.352 -5.172 420 2HA GLY 54 1HA GLY 54 5.506 -8.834 -5.941 421 HA PRO 55 HA PRO 55 3.914 -5.901 -2.412 422 1HB PRO 55 2HB PRO 55 5.979 -6.380 -0.612 423 2HB PRO 55 3HB PRO 55 4.400 -7.207 -0.614 424 1HG PRO 55 2HG PRO 55 6.980 -8.196 -1.834 425 2HG PRO 55 3HG PRO 55 5.839 -9.092 -0.788 426 1HD PRO 55 2HD PRO 55 5.756 -9.382 -3.467 427 2HD PRO 55 3HD PRO 55 4.230 -9.259 -2.547 428 H ARG 56 H ARG 56 7.139 -6.777 -3.639 429 HA ARG 56 HA ARG 56 8.513 -4.398 -3.386 430 1HB ARG 56 2HB ARG 56 9.936 -5.117 -5.115 431 2HB ARG 56 3HB ARG 56 9.404 -6.571 -4.258 432 1HG ARG 56 2HG ARG 56 7.635 -6.853 -6.070 433 2HG ARG 56 3HG ARG 56 8.400 -5.486 -6.906 434 1HD ARG 56 2HD ARG 56 10.593 -6.955 -6.678 435 2HD ARG 56 3HD ARG 56 9.455 -8.301 -6.572 436 HE ARG 56 HE ARG 56 10.295 -6.949 -8.903 437 1HH1 ARG 56 2HH2 ARG 56 7.293 -8.301 -7.728 438 2HH1 ARG 56 1HH2 ARG 56 6.264 -7.299 -8.718 439 1HH2 ARG 56 2HH1 ARG 56 8.976 -5.910 -10.554 440 2HH2 ARG 56 1HH1 ARG 56 7.276 -5.822 -10.204 441 H ASP 57 H ASP 57 5.918 -5.125 -5.804 442 HA ASP 57 HA ASP 57 6.526 -2.835 -7.465 443 1HB ASP 57 2HB ASP 57 3.953 -4.394 -7.153 444 2HB ASP 57 3HB ASP 57 4.318 -3.240 -8.443 445 H ILE 58 H ILE 58 4.108 -3.522 -4.911 446 HA ILE 58 HA ILE 58 2.911 -0.929 -4.874 447 HB ILE 58 HB ILE 58 3.202 -3.071 -2.725 448 1HG1 ILE 58 2HG1 ILE 58 0.493 -2.491 -3.459 449 2HG1 ILE 58 3HG1 ILE 58 1.387 -2.622 -4.971 450 1HG2 ILE 58 1HG2 ILE 58 3.041 -1.057 -1.475 451 2HG2 ILE 58 2HG2 ILE 58 1.772 -0.401 -2.533 452 3HG2 ILE 58 3HG2 ILE 58 1.443 -1.786 -1.477 453 1HD1 ILE 58 1HD1 ILE 58 0.414 -4.746 -4.164 454 2HD1 ILE 58 2HD1 ILE 58 2.186 -4.829 -4.390 455 3HD1 ILE 58 3HD1 ILE 58 1.501 -4.719 -2.764 456 H ILE 59 H ILE 59 5.739 -2.246 -3.073 457 HA ILE 59 HA ILE 59 6.335 0.125 -1.650 458 HB ILE 59 HB ILE 59 8.014 -2.189 -2.623 459 1HG1 ILE 59 2HG1 ILE 59 7.251 -1.430 0.221 460 2HG1 ILE 59 3HG1 ILE 59 6.128 -2.342 -0.792 461 1HG2 ILE 59 1HG2 ILE 59 9.761 -1.360 -1.020 462 2HG2 ILE 59 2HG2 ILE 59 9.549 -0.339 -2.439 463 3HG2 ILE 59 3HG2 ILE 59 8.847 0.157 -0.881 464 1HD1 ILE 59 1HD1 ILE 59 7.801 -4.083 -1.170 465 2HD1 ILE 59 2HD1 ILE 59 8.941 -3.244 -0.095 466 3HD1 ILE 59 3HD1 ILE 59 7.413 -3.881 0.550 467 H HIS 60 H HIS 60 7.569 -0.951 -4.893 468 HA HIS 60 HA HIS 60 9.081 1.334 -5.471 469 1HB HIS 60 2HB HIS 60 7.386 -0.200 -7.477 470 2HB HIS 60 3HB HIS 60 8.774 0.823 -7.821 471 HD1 HIS 60 1HD HIS 60 8.469 -2.343 -8.532 472 HD2 HIS 60 2HD HIS 60 10.663 -0.575 -5.403 473 HE1 HIS 60 1HE HIS 60 10.309 -3.998 -7.897 474 H THR 61 H THR 61 5.532 0.830 -5.875 475 HA THR 61 HA THR 61 5.130 3.355 -7.179 476 HB THR 61 HB THR 61 3.094 1.776 -5.556 477 HG1 THR 61 1HG THR 61 2.569 1.024 -7.728 478 1HG2 THR 61 1HG2 THR 61 1.503 2.910 -7.156 479 2HG2 THR 61 2HG2 THR 61 2.310 4.052 -6.065 480 3HG2 THR 61 3HG2 THR 61 2.849 3.892 -7.751 481 H ILE 62 H ILE 62 4.722 2.366 -3.765 482 HA ILE 62 HA ILE 62 4.018 4.815 -2.583 483 HB ILE 62 HB ILE 62 5.476 2.326 -1.702 484 1HG1 ILE 62 2HG1 ILE 62 2.738 3.494 -1.011 485 2HG1 ILE 62 3HG1 ILE 62 3.038 2.256 -2.232 486 1HG2 ILE 62 1HG2 ILE 62 4.588 4.385 0.320 487 2HG2 ILE 62 2HG2 ILE 62 5.514 2.904 0.576 488 3HG2 ILE 62 3HG2 ILE 62 6.285 4.250 -0.226 489 1HD1 ILE 62 1HD1 ILE 62 2.274 1.138 -0.262 490 2HD1 ILE 62 2HD1 ILE 62 4.012 0.789 -0.414 491 3HD1 ILE 62 3HD1 ILE 62 3.436 1.986 0.765 492 H GLU 63 H GLU 63 7.322 3.505 -3.125 493 HA GLU 63 HA GLU 63 8.789 5.771 -2.230 494 1HB GLU 63 2HB GLU 63 9.380 3.618 -4.295 495 2HB GLU 63 3HB GLU 63 10.578 4.780 -3.713 496 1HG GLU 63 2HG GLU 63 10.413 3.963 -1.445 497 2HG GLU 63 3HG GLU 63 9.057 2.908 -1.837 498 H SER 64 H SER 64 7.602 4.877 -5.489 499 HA SER 64 HA SER 64 8.751 7.081 -6.833 500 1HB SER 64 2HB SER 64 7.968 4.997 -7.949 501 2HB SER 64 3HB SER 64 6.289 5.505 -7.662 502 HG SER 64 HG SER 64 7.127 7.556 -8.770 503 H LEU 65 H LEU 65 5.720 6.926 -4.948 504 HA LEU 65 HA LEU 65 5.041 9.692 -5.709 505 1HB LEU 65 2HB LEU 65 4.214 7.870 -3.422 506 2HB LEU 65 3HB LEU 65 3.733 9.570 -3.545 507 HG LEU 65 HG LEU 65 1.950 8.296 -4.249 508 1HD1 LEU 65 1HD1 LEU 65 2.536 10.349 -5.625 509 2HD1 LEU 65 2HD1 LEU 65 3.153 9.248 -6.875 510 3HD1 LEU 65 3HD1 LEU 65 1.445 9.187 -6.412 511 1HD2 LEU 65 1HD2 LEU 65 3.008 6.189 -4.767 512 2HD2 LEU 65 2HD2 LEU 65 1.874 6.680 -6.026 513 3HD2 LEU 65 3HD2 LEU 65 3.610 6.850 -6.319 514 H GLY 66 H GLY 66 5.540 9.076 -2.286 515 1HA GLY 66 2HA GLY 66 8.266 10.026 -2.254 516 2HA GLY 66 1HA GLY 66 7.123 11.282 -1.735 517 H PHE 67 H PHE 67 6.956 7.690 -1.229 518 HA PHE 67 HA PHE 67 6.808 8.233 1.727 519 1HB PHE 67 2HB PHE 67 5.097 6.446 -0.003 520 2HB PHE 67 3HB PHE 67 4.897 6.690 1.736 521 HD1 PHE 67 HD1 PHE 67 4.939 9.517 2.168 522 HD2 PHE 67 HD2 PHE 67 3.391 7.430 -1.271 523 HE1 PHE 67 HE1 PHE 67 3.410 11.403 1.714 524 HE2 PHE 67 HE2 PHE 67 1.908 9.355 -1.756 525 HZ PHE 67 HZ PHE 67 1.847 11.299 -0.197 526 H GLU 68 H GLU 68 6.858 6.086 2.962 527 HA GLU 68 HA GLU 68 8.733 4.106 1.737 528 1HB GLU 68 2HB GLU 68 9.786 4.042 4.088 529 2HB GLU 68 3HB GLU 68 10.250 5.382 3.036 530 1HG GLU 68 2HG GLU 68 9.096 6.977 4.269 531 2HG GLU 68 3HG GLU 68 7.899 5.813 4.848 532 H ALA 69 H ALA 69 8.713 2.023 3.139 533 HA ALA 69 HA ALA 69 6.310 1.637 4.706 534 1HB ALA 69 1HB ALA 69 5.389 1.497 2.400 535 2HB ALA 69 2HB ALA 69 6.619 0.289 1.974 536 3HB ALA 69 3HB ALA 69 5.360 -0.099 3.164 537 H SER 70 H SER 70 6.088 -0.564 5.527 538 HA SER 70 HA SER 70 8.293 -2.437 5.228 539 1HB SER 70 2HB SER 70 7.894 -0.916 7.838 540 2HB SER 70 3HB SER 70 8.735 -2.473 7.743 541 HG SER 70 HG SER 70 9.550 -0.488 5.951 542 H LEU 71 H LEU 71 7.466 -4.473 5.459 543 HA LEU 71 HA LEU 71 4.677 -4.957 6.218 544 1HB LEU 71 2HB LEU 71 7.097 -6.737 5.661 545 2HB LEU 71 3HB LEU 71 5.520 -7.355 6.150 546 HG LEU 71 HG LEU 71 4.470 -6.457 4.130 547 1HD1 LEU 71 1HD1 LEU 71 5.921 -5.697 2.230 548 2HD1 LEU 71 2HD1 LEU 71 5.880 -4.537 3.556 549 3HD1 LEU 71 3HD1 LEU 71 7.296 -5.594 3.347 550 1HD2 LEU 71 1HD2 LEU 71 5.413 -8.751 4.205 551 2HD2 LEU 71 2HD2 LEU 71 5.531 -8.065 2.573 552 3HD2 LEU 71 3HD2 LEU 71 6.967 -8.134 3.611 553 H VAL 72 H VAL 72 4.220 -4.478 8.366 554 HA VAL 72 HA VAL 72 5.954 -5.115 10.567 555 HB VAL 72 HB VAL 72 2.903 -4.950 10.526 556 1HG1 VAL 72 1HG1 VAL 72 3.175 -4.380 12.927 557 2HG1 VAL 72 2HG1 VAL 72 3.783 -6.004 12.587 558 3HG1 VAL 72 3HG1 VAL 72 4.924 -4.658 12.798 559 1HG2 VAL 72 1HG2 VAL 72 5.012 -2.792 10.972 560 2HG2 VAL 72 2HG2 VAL 72 3.812 -2.867 9.660 561 3HG2 VAL 72 3HG2 VAL 72 3.280 -2.612 11.326 562 H LYS 73 H LYS 73 3.267 -6.842 8.970 563 HA LYS 73 HA LYS 73 3.570 -9.234 10.573 564 1HB LYS 73 2HB LYS 73 1.479 -8.236 9.445 565 2HB LYS 73 3HB LYS 73 2.041 -8.994 7.966 566 1HG LYS 73 2HG LYS 73 1.324 -10.291 10.643 567 2HG LYS 73 3HG LYS 73 0.363 -10.378 9.167 568 1HD LYS 73 2HD LYS 73 3.127 -11.592 9.545 569 2HD LYS 73 3HD LYS 73 1.644 -12.478 9.746 570 1HE LYS 73 2HE LYS 73 1.145 -12.565 7.491 571 2HE LYS 73 3HE LYS 73 2.018 -11.084 7.090 572 1HZ LYS 73 1HZ LYS 73 3.337 -13.600 7.870 573 2HZ LYS 73 2HZ LYS 73 3.176 -13.073 6.322 574 3HZ LYS 73 3HZ LYS 73 4.095 -12.240 7.399 575 H ILE 74 H ILE 74 5.959 -9.214 10.084 576 HA ILE 74 HA ILE 74 6.947 -10.252 7.583 577 HB ILE 74 HB ILE 74 8.051 -10.578 10.405 578 1HG1 ILE 74 2HG1 ILE 74 7.907 -8.218 9.723 579 2HG1 ILE 74 3HG1 ILE 74 9.558 -8.788 9.921 580 1HG2 ILE 74 1HG2 ILE 74 9.040 -12.307 9.035 581 2HG2 ILE 74 2HG2 ILE 74 9.319 -11.178 7.702 582 3HG2 ILE 74 3HG2 ILE 74 10.229 -11.018 9.221 583 1HD1 ILE 74 1HD1 ILE 74 8.154 -8.399 7.241 584 2HD1 ILE 74 2HD1 ILE 74 9.356 -7.329 7.973 585 3HD1 ILE 74 3HD1 ILE 74 9.831 -8.953 7.463 586 H GLU 75 H GLU 75 6.804 -12.214 10.600 587 HA GLU 75 HA GLU 75 6.421 -14.660 9.132 588 1HB GLU 75 2HB GLU 75 6.159 -14.034 12.107 589 2HB GLU 75 3HB GLU 75 6.279 -15.640 11.378 590 1HG GLU 75 2HG GLU 75 8.536 -15.067 10.485 591 2HG GLU 75 3HG GLU 75 8.447 -13.480 11.272 Start of MODEL 2 1 1H MET 1 H1 MET 1 -2.539 -15.771 -5.510 2 2H MET 1 H2 MET 1 -1.672 -15.976 -6.915 3 3H MET 1 H3 MET 1 -3.136 -15.286 -6.996 4 HA MET 1 HA MET 1 -3.228 -17.551 -7.754 5 1HB MET 1 2HB MET 1 -2.455 -18.309 -4.893 6 2HB MET 1 3HB MET 1 -2.848 -19.400 -6.229 7 1HG MET 1 2HG MET 1 -0.856 -18.476 -7.468 8 2HG MET 1 3HG MET 1 -0.444 -17.554 -6.005 9 1HE MET 1 1HE MET 1 1.956 -18.469 -6.008 10 2HE MET 1 2HE MET 1 2.361 -20.200 -6.110 11 3HE MET 1 3HE MET 1 1.593 -19.384 -7.494 12 H GLY 2 H GLY 2 -4.017 -16.808 -4.358 13 1HA GLY 2 2HA GLY 2 -6.771 -16.242 -4.698 14 2HA GLY 2 1HA GLY 2 -6.623 -17.968 -4.286 15 H ASP 3 H ASP 3 -4.487 -15.347 -3.368 16 HA ASP 3 HA ASP 3 -4.723 -15.886 -0.469 17 1HB ASP 3 2HB ASP 3 -2.250 -16.223 -0.676 18 2HB ASP 3 3HB ASP 3 -3.173 -17.430 -1.571 19 H GLY 4 H GLY 4 -5.541 -13.542 -2.122 20 1HA GLY 4 2HA GLY 4 -3.325 -11.741 -2.239 21 2HA GLY 4 1HA GLY 4 -5.011 -11.425 -2.714 22 H VAL 5 H VAL 5 -2.728 -11.435 0.034 23 HA VAL 5 HA VAL 5 -4.064 -9.005 0.992 24 HB VAL 5 HB VAL 5 -5.189 -10.753 2.259 25 1HG1 VAL 5 1HG1 VAL 5 -3.427 -12.506 2.238 26 2HG1 VAL 5 2HG1 VAL 5 -2.460 -11.536 3.371 27 3HG1 VAL 5 3HG1 VAL 5 -4.037 -12.172 3.866 28 1HG2 VAL 5 1HG2 VAL 5 -3.249 -9.209 4.031 29 2HG2 VAL 5 2HG2 VAL 5 -4.723 -8.541 3.297 30 3HG2 VAL 5 3HG2 VAL 5 -4.838 -9.853 4.481 31 H LEU 6 H LEU 6 -2.648 -7.476 1.707 32 HA LEU 6 HA LEU 6 -0.134 -8.338 2.891 33 1HB LEU 6 2HB LEU 6 0.344 -8.011 0.385 34 2HB LEU 6 3HB LEU 6 -0.038 -6.301 0.681 35 HG LEU 6 HG LEU 6 1.760 -6.481 2.598 36 1HD1 LEU 6 1HD1 LEU 6 2.529 -8.863 0.844 37 2HD1 LEU 6 2HD1 LEU 6 3.532 -8.158 2.121 38 3HD1 LEU 6 3HD1 LEU 6 2.011 -8.957 2.538 39 1HD2 LEU 6 1HD2 LEU 6 3.571 -5.954 1.047 40 2HD2 LEU 6 2HD2 LEU 6 2.632 -6.580 -0.313 41 3HD2 LEU 6 3HD2 LEU 6 2.072 -5.141 0.556 42 H GLU 7 H GLU 7 -0.053 -7.246 4.757 43 HA GLU 7 HA GLU 7 -1.037 -4.434 4.767 44 1HB GLU 7 2HB GLU 7 -2.228 -6.130 6.298 45 2HB GLU 7 3HB GLU 7 -0.721 -6.106 7.241 46 1HG GLU 7 2HG GLU 7 -0.951 -3.651 7.507 47 2HG GLU 7 3HG GLU 7 -2.355 -3.644 6.443 48 H LEU 8 H LEU 8 0.592 -3.028 4.772 49 HA LEU 8 HA LEU 8 3.124 -3.777 6.111 50 1HB LEU 8 2HB LEU 8 4.522 -3.030 4.387 51 2HB LEU 8 3HB LEU 8 3.460 -4.278 3.755 52 HG LEU 8 HG LEU 8 3.342 -1.290 3.137 53 1HD1 LEU 8 1HD1 LEU 8 4.007 -3.679 1.395 54 2HD1 LEU 8 2HD1 LEU 8 4.060 -1.965 0.940 55 3HD1 LEU 8 3HD1 LEU 8 5.205 -2.606 2.134 56 1HD2 LEU 8 1HD2 LEU 8 1.097 -1.975 3.020 57 2HD2 LEU 8 2HD2 LEU 8 1.690 -2.030 1.364 58 3HD2 LEU 8 3HD2 LEU 8 1.496 -3.544 2.279 59 H VAL 9 H VAL 9 4.272 -2.010 7.000 60 HA VAL 9 HA VAL 9 2.572 0.250 7.711 61 HB VAL 9 HB VAL 9 5.083 -0.979 8.718 62 1HG1 VAL 9 1HG1 VAL 9 5.809 1.093 9.859 63 2HG1 VAL 9 2HG1 VAL 9 6.045 1.159 8.110 64 3HG1 VAL 9 3HG1 VAL 9 4.687 2.041 8.867 65 1HG2 VAL 9 1HG2 VAL 9 2.802 -1.015 9.856 66 2HG2 VAL 9 2HG2 VAL 9 4.123 -0.392 10.860 67 3HG2 VAL 9 3HG2 VAL 9 2.967 0.727 10.115 68 H VAL 10 H VAL 10 2.898 2.285 6.769 69 HA VAL 10 HA VAL 10 4.876 2.552 4.595 70 HB VAL 10 HB VAL 10 1.939 3.378 4.643 71 1HG1 VAL 10 1HG1 VAL 10 2.451 4.152 2.323 72 2HG1 VAL 10 2HG1 VAL 10 3.378 5.031 3.556 73 3HG1 VAL 10 3HG1 VAL 10 4.166 3.759 2.615 74 1HG2 VAL 10 1HG2 VAL 10 3.427 1.291 2.993 75 2HG2 VAL 10 2HG2 VAL 10 2.122 0.993 4.157 76 3HG2 VAL 10 3HG2 VAL 10 1.779 1.862 2.658 77 H ARG 11 H ARG 11 6.184 4.257 5.197 78 HA ARG 11 HA ARG 11 5.100 6.196 7.212 79 1HB ARG 11 2HB ARG 11 7.286 6.520 8.093 80 2HB ARG 11 3HB ARG 11 6.771 4.839 8.258 81 1HG ARG 11 2HG ARG 11 8.188 4.189 6.348 82 2HG ARG 11 3HG ARG 11 8.710 5.878 6.145 83 1HD ARG 11 2HD ARG 11 9.141 4.199 8.657 84 2HD ARG 11 3HD ARG 11 10.342 4.415 7.398 85 HE ARG 11 HE ARG 11 9.345 6.423 9.357 86 1HH1 ARG 11 2HH2 ARG 11 11.665 5.725 6.737 87 2HH1 ARG 11 1HH2 ARG 11 12.028 7.301 6.432 88 1HH2 ARG 11 2HH1 ARG 11 10.278 8.562 9.340 89 2HH2 ARG 11 1HH1 ARG 11 11.629 8.879 8.289 90 H GLY 12 H GLY 12 5.767 8.332 7.048 91 1HA GLY 12 2HA GLY 12 6.565 10.215 5.839 92 2HA GLY 12 1HA GLY 12 6.571 9.289 4.339 93 H MET 13 H MET 13 3.738 8.353 5.834 94 HA MET 13 HA MET 13 2.107 9.927 4.057 95 1HB MET 13 2HB MET 13 1.252 8.066 6.313 96 2HB MET 13 3HB MET 13 0.264 8.650 4.959 97 1HG MET 13 2HG MET 13 2.048 7.529 3.447 98 2HG MET 13 3HG MET 13 2.573 6.703 4.918 99 1HE MET 13 1HE MET 13 -0.708 4.676 5.829 100 2HE MET 13 2HE MET 13 0.931 5.134 6.341 101 3HE MET 13 3HE MET 13 -0.380 6.344 6.350 102 H THR 14 H THR 14 3.011 11.981 5.084 103 HA THR 14 HA THR 14 2.485 12.499 7.793 104 HB THR 14 HB THR 14 4.282 13.562 6.505 105 HG1 THR 14 1HG THR 14 2.447 15.101 7.974 106 1HG2 THR 14 1HG2 THR 14 3.844 15.587 5.179 107 2HG2 THR 14 2HG2 THR 14 3.106 14.166 4.428 108 3HG2 THR 14 3HG2 THR 14 2.095 15.331 5.310 109 H CYS 15 H CYS 15 0.091 12.767 5.259 110 HA CYS 15 HA CYS 15 -1.780 13.781 7.215 111 1HB CYS 15 2HB CYS 15 -2.405 15.827 6.095 112 2HB CYS 15 3HB CYS 15 -0.685 15.890 6.438 113 H ALA 16 H ALA 16 -3.962 14.120 6.104 114 HA ALA 16 HA ALA 16 -4.872 11.804 4.858 115 1HB ALA 16 1HB ALA 16 -6.884 13.117 4.298 116 2HB ALA 16 2HB ALA 16 -6.338 13.445 5.956 117 3HB ALA 16 3HB ALA 16 -6.014 14.623 4.661 118 H SER 17 H SER 17 -3.548 14.760 3.403 119 HA SER 17 HA SER 17 -4.300 14.254 0.720 120 1HB SER 17 2HB SER 17 -3.404 16.453 1.670 121 2HB SER 17 3HB SER 17 -1.784 15.745 1.473 122 HG SER 17 HG SER 17 -2.667 15.243 -0.766 123 H CYS 18 H CYS 18 -1.686 12.900 2.728 124 HA CYS 18 HA CYS 18 -0.325 11.640 0.453 125 1HB CYS 18 2HB CYS 18 -0.150 11.060 3.430 126 2HB CYS 18 3HB CYS 18 0.849 10.385 2.152 127 H VAL 19 H VAL 19 -2.436 10.646 3.153 128 HA VAL 19 HA VAL 19 -2.614 7.943 2.554 129 HB VAL 19 HB VAL 19 -4.718 9.757 3.796 130 1HG1 VAL 19 1HG1 VAL 19 -5.585 7.710 4.881 131 2HG1 VAL 19 2HG1 VAL 19 -5.778 7.619 3.128 132 3HG1 VAL 19 3HG1 VAL 19 -4.452 6.740 3.922 133 1HG2 VAL 19 1HG2 VAL 19 -2.592 7.944 5.042 134 2HG2 VAL 19 2HG2 VAL 19 -2.496 9.710 4.971 135 3HG2 VAL 19 3HG2 VAL 19 -3.771 8.939 5.921 136 H HIS 20 H HIS 20 -5.103 10.370 1.512 137 HA HIS 20 HA HIS 20 -6.454 8.381 -0.035 138 1HB HIS 20 2HB HIS 20 -7.995 9.933 -0.602 139 2HB HIS 20 3HB HIS 20 -7.407 10.560 0.936 140 HD1 HIS 20 1HD HIS 20 -8.702 12.072 -1.843 141 HD2 HIS 20 2HD HIS 20 -4.849 12.205 -0.181 142 HE1 HIS 20 1HE HIS 20 -7.619 14.227 -2.679 143 H LYS 21 H LYS 21 -3.738 10.474 -0.803 144 HA LYS 21 HA LYS 21 -3.943 10.277 -3.681 145 1HB LYS 21 2HB LYS 21 -2.669 12.051 -2.680 146 2HB LYS 21 3HB LYS 21 -1.646 10.890 -1.809 147 1HG LYS 21 2HG LYS 21 -0.663 10.108 -3.910 148 2HG LYS 21 3HG LYS 21 -1.772 11.128 -4.838 149 1HD LYS 21 2HD LYS 21 0.482 12.113 -4.664 150 2HD LYS 21 3HD LYS 21 -0.762 13.155 -3.947 151 1HE LYS 21 2HE LYS 21 -0.131 12.507 -1.692 152 2HE LYS 21 3HE LYS 21 0.956 11.239 -2.295 153 1HZ LYS 21 1HZ LYS 21 2.107 13.206 -1.570 154 2HZ LYS 21 2HZ LYS 21 2.354 12.982 -3.180 155 3HZ LYS 21 3HZ LYS 21 1.307 14.144 -2.651 156 H ILE 22 H ILE 22 -2.157 8.490 -1.101 157 HA ILE 22 HA ILE 22 -0.980 6.529 -2.803 158 HB ILE 22 HB ILE 22 -1.874 6.358 0.097 159 1HG1 ILE 22 2HG1 ILE 22 0.927 6.611 -1.073 160 2HG1 ILE 22 3HG1 ILE 22 -0.061 8.005 -0.622 161 1HG2 ILE 22 1HG2 ILE 22 -0.121 4.433 -1.494 162 2HG2 ILE 22 2HG2 ILE 22 -0.399 4.356 0.252 163 3HG2 ILE 22 3HG2 ILE 22 -1.736 4.064 -0.848 164 1HD1 ILE 22 1HD1 ILE 22 -0.278 7.144 1.677 165 2HD1 ILE 22 2HD1 ILE 22 0.892 5.855 1.273 166 3HD1 ILE 22 3HD1 ILE 22 1.379 7.554 1.215 167 H GLU 23 H GLU 23 -4.071 6.425 -0.942 168 HA GLU 23 HA GLU 23 -4.856 3.924 -1.845 169 1HB GLU 23 2HB GLU 23 -5.878 5.628 -0.059 170 2HB GLU 23 3HB GLU 23 -6.974 6.032 -1.371 171 1HG GLU 23 2HG GLU 23 -7.842 3.818 -1.458 172 2HG GLU 23 3HG GLU 23 -6.487 3.163 -0.523 173 H SER 24 H SER 24 -5.707 7.075 -3.289 174 HA SER 24 HA SER 24 -7.136 6.166 -5.546 175 1HB SER 24 2HB SER 24 -7.024 8.511 -4.775 176 2HB SER 24 3HB SER 24 -5.329 8.604 -5.278 177 HG SER 24 HG SER 24 -7.559 8.067 -6.966 178 H SER 25 H SER 25 -3.605 6.691 -5.093 179 HA SER 25 HA SER 25 -2.912 6.278 -7.823 180 1HB SER 25 2HB SER 25 -1.245 6.010 -5.291 181 2HB SER 25 3HB SER 25 -0.591 5.968 -6.938 182 HG SER 25 HG SER 25 -2.021 8.088 -5.720 183 H LEU 26 H LEU 26 -3.082 4.146 -5.016 184 HA LEU 26 HA LEU 26 -2.116 1.761 -6.230 185 1HB LEU 26 2HB LEU 26 -3.512 2.593 -3.732 186 2HB LEU 26 3HB LEU 26 -3.968 1.007 -4.283 187 HG LEU 26 HG LEU 26 -2.228 0.885 -2.739 188 1HD1 LEU 26 1HD1 LEU 26 -0.881 0.042 -5.280 189 2HD1 LEU 26 2HD1 LEU 26 -0.906 -0.714 -3.678 190 3HD1 LEU 26 3HD1 LEU 26 -2.367 -0.735 -4.663 191 1HD2 LEU 26 1HD2 LEU 26 -1.093 3.060 -3.159 192 2HD2 LEU 26 2HD2 LEU 26 0.065 1.719 -3.102 193 3HD2 LEU 26 3HD2 LEU 26 -0.413 2.413 -4.664 194 H THR 27 H THR 27 -5.481 2.926 -5.600 195 HA THR 27 HA THR 27 -6.662 0.624 -6.661 196 HB THR 27 HB THR 27 -8.743 2.119 -6.919 197 HG1 THR 27 1HG THR 27 -7.098 3.914 -5.463 198 1HG2 THR 27 1HG2 THR 27 -9.015 2.256 -4.455 199 2HG2 THR 27 2HG2 THR 27 -8.359 0.690 -4.963 200 3HG2 THR 27 3HG2 THR 27 -7.290 1.907 -4.240 201 H LYS 28 H LYS 28 -5.219 3.252 -8.426 202 HA LYS 28 HA LYS 28 -6.334 2.888 -10.971 203 1HB LYS 28 2HB LYS 28 -3.390 3.136 -10.322 204 2HB LYS 28 3HB LYS 28 -4.129 3.373 -11.904 205 1HG LYS 28 2HG LYS 28 -5.590 5.179 -10.848 206 2HG LYS 28 3HG LYS 28 -4.487 5.186 -9.479 207 1HD LYS 28 2HD LYS 28 -3.567 5.551 -12.378 208 2HD LYS 28 3HD LYS 28 -4.139 6.889 -11.400 209 1HE LYS 28 2HE LYS 28 -1.646 6.673 -11.510 210 2HE LYS 28 3HE LYS 28 -2.328 6.803 -9.894 211 1HZ LYS 28 1HZ LYS 28 -1.520 4.261 -11.151 212 2HZ LYS 28 2HZ LYS 28 -0.610 5.107 -10.072 213 3HZ LYS 28 3HZ LYS 28 -2.038 4.454 -9.599 214 H HIS 29 H HIS 29 -4.063 0.628 -9.236 215 HA HIS 29 HA HIS 29 -3.352 -0.713 -11.690 216 1HB HIS 29 2HB HIS 29 -3.219 -1.808 -8.886 217 2HB HIS 29 3HB HIS 29 -2.277 -2.360 -10.272 218 HD1 HIS 29 1HD HIS 29 -0.646 -0.056 -11.266 219 HD2 HIS 29 2HD HIS 29 -1.904 -0.389 -7.277 220 HE1 HIS 29 1HE HIS 29 0.852 1.499 -9.884 221 H ARG 30 H ARG 30 -3.764 -3.069 -12.104 222 HA ARG 30 HA ARG 30 -6.645 -3.680 -11.673 223 1HB ARG 30 2HB ARG 30 -5.448 -3.376 -14.058 224 2HB ARG 30 3HB ARG 30 -4.950 -5.039 -13.747 225 1HG ARG 30 2HG ARG 30 -6.926 -5.404 -14.871 226 2HG ARG 30 3HG ARG 30 -7.546 -5.397 -13.222 227 1HD ARG 30 2HD ARG 30 -7.600 -3.170 -15.293 228 2HD ARG 30 3HD ARG 30 -8.989 -4.051 -14.656 229 HE ARG 30 HE ARG 30 -8.515 -3.050 -12.422 230 1HH1 ARG 30 2HH2 ARG 30 -7.800 -1.173 -15.337 231 2HH1 ARG 30 1HH2 ARG 30 -7.290 0.238 -14.457 232 1HH2 ARG 30 2HH1 ARG 30 -7.528 -1.244 -11.289 233 2HH2 ARG 30 1HH1 ARG 30 -7.156 0.166 -12.155 234 H GLY 31 H GLY 31 -3.410 -4.991 -11.125 235 1HA GLY 31 2HA GLY 31 -4.360 -7.621 -10.366 236 2HA GLY 31 1HA GLY 31 -2.777 -6.915 -10.009 237 H ILE 32 H ILE 32 -4.567 -4.535 -8.824 238 HA ILE 32 HA ILE 32 -4.510 -5.609 -6.114 239 HB ILE 32 HB ILE 32 -5.133 -3.428 -5.358 240 1HG1 ILE 32 2HG1 ILE 32 -5.049 -1.607 -7.343 241 2HG1 ILE 32 3HG1 ILE 32 -5.786 -2.939 -8.239 242 1HG2 ILE 32 1HG2 ILE 32 -2.897 -3.433 -7.412 243 2HG2 ILE 32 2HG2 ILE 32 -3.142 -2.210 -6.158 244 3HG2 ILE 32 3HG2 ILE 32 -2.803 -3.885 -5.705 245 1HD1 ILE 32 1HD1 ILE 32 -6.797 -1.691 -5.648 246 2HD1 ILE 32 2HD1 ILE 32 -7.491 -1.488 -7.274 247 3HD1 ILE 32 3HD1 ILE 32 -7.582 -3.052 -6.464 248 H LEU 33 H LEU 33 -6.261 -5.800 -4.812 249 HA LEU 33 HA LEU 33 -8.940 -6.107 -6.052 250 1HB LEU 33 2HB LEU 33 -7.808 -8.169 -5.156 251 2HB LEU 33 3HB LEU 33 -7.769 -7.411 -3.562 252 HG LEU 33 HG LEU 33 -10.264 -7.348 -3.538 253 1HD1 LEU 33 1HD1 LEU 33 -10.808 -7.291 -5.929 254 2HD1 LEU 33 2HD1 LEU 33 -9.966 -8.834 -6.195 255 3HD1 LEU 33 3HD1 LEU 33 -11.463 -8.777 -5.241 256 1HD2 LEU 33 1HD2 LEU 33 -8.996 -9.238 -2.560 257 2HD2 LEU 33 2HD2 LEU 33 -10.536 -9.792 -3.243 258 3HD2 LEU 33 3HD2 LEU 33 -9.019 -10.074 -4.127 259 H TYR 34 H TYR 34 -7.069 -4.895 -3.184 260 HA TYR 34 HA TYR 34 -8.866 -2.663 -3.044 261 1HB TYR 34 2HB TYR 34 -10.101 -4.455 -1.702 262 2HB TYR 34 3HB TYR 34 -8.697 -4.505 -0.626 263 HD1 TYR 34 HD1 TYR 34 -9.566 -3.748 1.445 264 HD2 TYR 34 HD2 TYR 34 -10.568 -1.552 -2.133 265 HE1 TYR 34 HE1 TYR 34 -10.273 -1.805 2.805 266 HE2 TYR 34 HE2 TYR 34 -10.923 0.482 -0.779 267 HH TYR 34 HH TYR 34 -10.315 1.417 1.314 268 H CYS 35 H CYS 35 -8.171 -1.082 -1.356 269 HA CYS 35 HA CYS 35 -5.447 -1.299 -0.228 270 1HB CYS 35 2HB CYS 35 -5.104 -0.253 -2.463 271 2HB CYS 35 3HB CYS 35 -6.375 0.929 -2.077 272 HG CYS 35 HG CYS 35 -3.421 0.429 -0.867 273 H SER 36 H SER 36 -5.869 -0.861 1.865 274 HA SER 36 HA SER 36 -7.763 1.345 2.559 275 1HB SER 36 2HB SER 36 -8.042 -1.354 3.253 276 2HB SER 36 3HB SER 36 -7.296 -0.654 4.680 277 HG SER 36 HG SER 36 -9.601 0.398 3.410 278 H VAL 37 H VAL 37 -6.217 2.988 2.743 279 HA VAL 37 HA VAL 37 -3.780 2.363 4.367 280 HB VAL 37 HB VAL 37 -3.160 2.801 2.124 281 1HG1 VAL 37 1HG1 VAL 37 -3.611 5.022 1.058 282 2HG1 VAL 37 2HG1 VAL 37 -4.943 3.878 1.136 283 3HG1 VAL 37 3HG1 VAL 37 -4.906 5.259 2.255 284 1HG2 VAL 37 1HG2 VAL 37 -1.662 4.629 2.348 285 2HG2 VAL 37 2HG2 VAL 37 -2.543 5.267 3.754 286 3HG2 VAL 37 3HG2 VAL 37 -1.712 3.688 3.845 287 H ALA 38 H ALA 38 -3.099 3.588 6.038 288 HA ALA 38 HA ALA 38 -4.804 5.843 6.941 289 1HB ALA 38 1HB ALA 38 -4.451 3.254 8.509 290 2HB ALA 38 2HB ALA 38 -5.214 4.737 9.109 291 3HB ALA 38 3HB ALA 38 -5.966 3.836 7.773 292 H LEU 39 H LEU 39 -3.534 7.353 7.773 293 HA LEU 39 HA LEU 39 -0.787 6.878 8.614 294 1HB LEU 39 2HB LEU 39 -0.637 9.225 8.989 295 2HB LEU 39 3HB LEU 39 -1.321 8.856 7.414 296 HG LEU 39 HG LEU 39 -3.632 9.391 8.381 297 1HD1 LEU 39 1HD1 LEU 39 -3.541 11.028 10.336 298 2HD1 LEU 39 2HD1 LEU 39 -3.317 9.353 10.802 299 3HD1 LEU 39 3HD1 LEU 39 -1.909 10.432 10.683 300 1HD2 LEU 39 1HD2 LEU 39 -1.512 11.578 8.393 301 2HD2 LEU 39 2HD2 LEU 39 -2.286 10.906 6.948 302 3HD2 LEU 39 3HD2 LEU 39 -3.257 11.802 8.125 303 H ALA 40 H ALA 40 -3.851 6.679 10.154 304 HA ALA 40 HA ALA 40 -3.179 7.372 12.815 305 1HB ALA 40 1HB ALA 40 -5.481 6.895 12.085 306 2HB ALA 40 2HB ALA 40 -5.061 5.192 11.792 307 3HB ALA 40 3HB ALA 40 -5.023 5.847 13.443 308 H THR 41 H THR 41 -2.981 4.172 11.111 309 HA THR 41 HA THR 41 -1.245 3.058 13.172 310 HB THR 41 HB THR 41 -1.375 1.729 10.552 311 HG1 THR 41 1HG THR 41 -3.794 2.328 11.891 312 1HG2 THR 41 1HG2 THR 41 -2.106 -0.175 11.897 313 2HG2 THR 41 2HG2 THR 41 -0.717 0.620 12.658 314 3HG2 THR 41 3HG2 THR 41 -2.352 0.880 13.306 315 H ASN 42 H ASN 42 -1.110 4.314 9.852 316 HA ASN 42 HA ASN 42 0.543 5.118 8.544 317 1HB ASN 42 2HB ASN 42 2.685 4.222 10.519 318 2HB ASN 42 3HB ASN 42 2.917 5.044 8.988 319 1HD2 ASN 42 1HD2 ASN 42 1.433 5.379 12.160 320 2HD2 ASN 42 2HD2 ASN 42 0.985 7.068 11.952 321 H LYS 43 H LYS 43 -0.915 3.119 7.942 322 HA LYS 43 HA LYS 43 0.920 1.169 6.808 323 1HB LYS 43 2HB LYS 43 0.348 -0.658 7.975 324 2HB LYS 43 3HB LYS 43 -0.206 0.413 9.210 325 1HG LYS 43 2HG LYS 43 -1.832 -1.112 7.135 326 2HG LYS 43 3HG LYS 43 -1.781 -1.312 8.880 327 1HD LYS 43 2HD LYS 43 -2.636 1.307 8.691 328 2HD LYS 43 3HD LYS 43 -3.361 0.632 7.239 329 1HE LYS 43 2HE LYS 43 -3.706 -0.471 10.072 330 2HE LYS 43 3HE LYS 43 -4.858 0.551 9.210 331 1HZ LYS 43 1HZ LYS 43 -4.077 -2.207 8.430 332 2HZ LYS 43 2HZ LYS 43 -5.493 -1.722 9.037 333 3HZ LYS 43 3HZ LYS 43 -5.041 -1.211 7.543 334 H ALA 44 H ALA 44 0.018 -0.190 5.247 335 HA ALA 44 HA ALA 44 -2.562 0.715 4.089 336 1HB ALA 44 1HB ALA 44 -1.676 0.517 1.870 337 2HB ALA 44 2HB ALA 44 -0.713 1.700 2.771 338 3HB ALA 44 3HB ALA 44 -0.065 0.067 2.503 339 H HIS 45 H HIS 45 -3.910 -0.804 4.167 340 HA HIS 45 HA HIS 45 -3.127 -3.698 4.214 341 1HB HIS 45 2HB HIS 45 -4.606 -2.610 6.000 342 2HB HIS 45 3HB HIS 45 -5.823 -2.415 4.733 343 HD1 HIS 45 1HD HIS 45 -4.872 -4.776 7.326 344 HD2 HIS 45 2HD HIS 45 -5.907 -4.988 3.275 345 HE1 HIS 45 1HE HIS 45 -5.603 -7.207 6.898 346 H ILE 46 H ILE 46 -2.559 -4.053 2.205 347 HA ILE 46 HA ILE 46 -4.333 -3.255 -0.001 348 HB ILE 46 HB ILE 46 -1.951 -4.965 -0.488 349 1HG1 ILE 46 2HG1 ILE 46 -0.887 -3.480 1.100 350 2HG1 ILE 46 3HG1 ILE 46 -0.303 -3.285 -0.539 351 1HG2 ILE 46 1HG2 ILE 46 -3.169 -2.522 -1.867 352 2HG2 ILE 46 2HG2 ILE 46 -1.783 -3.434 -2.479 353 3HG2 ILE 46 3HG2 ILE 46 -3.362 -4.214 -2.338 354 1HD1 ILE 46 1HD1 ILE 46 -2.293 -1.453 0.827 355 2HD1 ILE 46 2HD1 ILE 46 -0.548 -1.169 0.611 356 3HD1 ILE 46 3HD1 ILE 46 -1.610 -1.222 -0.806 357 H LYS 47 H LYS 47 -5.225 -4.866 -1.303 358 HA LYS 47 HA LYS 47 -4.644 -7.687 -0.689 359 1HB LYS 47 2HB LYS 47 -7.400 -6.434 -1.009 360 2HB LYS 47 3HB LYS 47 -7.064 -8.171 -1.220 361 1HG LYS 47 2HG LYS 47 -6.091 -8.050 1.197 362 2HG LYS 47 3HG LYS 47 -6.812 -6.446 1.277 363 1HD LYS 47 2HD LYS 47 -8.357 -7.901 2.299 364 2HD LYS 47 3HD LYS 47 -9.049 -7.528 0.705 365 1HE LYS 47 2HE LYS 47 -8.183 -9.727 -0.162 366 2HE LYS 47 3HE LYS 47 -7.429 -10.043 1.404 367 1HZ LYS 47 1HZ LYS 47 -9.618 -10.097 2.373 368 2HZ LYS 47 2HZ LYS 47 -10.318 -9.788 0.913 369 3HZ LYS 47 3HZ LYS 47 -9.490 -11.187 1.151 370 H TYR 48 H TYR 48 -4.134 -8.698 -2.634 371 HA TYR 48 HA TYR 48 -4.776 -7.567 -5.226 372 1HB TYR 48 2HB TYR 48 -2.440 -7.087 -5.794 373 2HB TYR 48 3HB TYR 48 -2.963 -6.038 -4.483 374 HD1 TYR 48 HD1 TYR 48 -0.931 -9.072 -5.282 375 HD2 TYR 48 HD2 TYR 48 -1.762 -5.961 -2.458 376 HE1 TYR 48 HE1 TYR 48 1.129 -9.656 -4.049 377 HE2 TYR 48 HE2 TYR 48 0.467 -6.327 -1.441 378 HH TYR 48 HH TYR 48 2.485 -9.156 -2.304 379 H ASP 49 H ASP 49 -4.022 -9.082 -6.902 380 HA ASP 49 HA ASP 49 -3.578 -11.792 -5.813 381 1HB ASP 49 2HB ASP 49 -5.029 -11.788 -7.669 382 2HB ASP 49 3HB ASP 49 -3.893 -10.839 -8.651 383 HA PRO 50 HA PRO 50 0.771 -10.866 -5.843 384 1HB PRO 50 2HB PRO 50 1.813 -13.405 -5.354 385 2HB PRO 50 3HB PRO 50 1.234 -12.223 -4.148 386 1HG PRO 50 2HG PRO 50 -0.206 -14.591 -5.284 387 2HG PRO 50 3HG PRO 50 -0.255 -13.935 -3.629 388 1HD PRO 50 2HD PRO 50 -2.240 -13.500 -5.457 389 2HD PRO 50 3HD PRO 50 -1.809 -12.296 -4.212 390 H GLU 51 H GLU 51 -0.579 -13.049 -8.290 391 HA GLU 51 HA GLU 51 2.007 -13.150 -9.718 392 1HB GLU 51 2HB GLU 51 -0.786 -14.056 -10.550 393 2HB GLU 51 3HB GLU 51 0.700 -14.193 -11.493 394 1HG GLU 51 2HG GLU 51 0.638 -16.289 -10.567 395 2HG GLU 51 3HG GLU 51 1.628 -15.468 -9.352 396 H ILE 52 H ILE 52 -1.197 -11.536 -9.876 397 HA ILE 52 HA ILE 52 -0.421 -10.072 -12.259 398 HB ILE 52 HB ILE 52 -2.706 -9.382 -10.406 399 1HG1 ILE 52 2HG1 ILE 52 -2.666 -11.216 -12.854 400 2HG1 ILE 52 3HG1 ILE 52 -2.840 -11.754 -11.185 401 1HG2 ILE 52 1HG2 ILE 52 -2.202 -8.833 -13.383 402 2HG2 ILE 52 2HG2 ILE 52 -3.629 -8.308 -12.477 403 3HG2 ILE 52 3HG2 ILE 52 -2.060 -7.615 -12.110 404 1HD1 ILE 52 1HD1 ILE 52 -5.015 -11.745 -12.086 405 2HD1 ILE 52 2HD1 ILE 52 -4.925 -10.354 -10.988 406 3HD1 ILE 52 3HD1 ILE 52 -4.848 -10.116 -12.752 407 H ILE 53 H ILE 53 -0.247 -9.226 -8.754 408 HA ILE 53 HA ILE 53 1.418 -6.872 -9.445 409 HB ILE 53 HB ILE 53 -1.169 -7.005 -7.921 410 1HG1 ILE 53 2HG1 ILE 53 -0.802 -5.707 -10.087 411 2HG1 ILE 53 3HG1 ILE 53 -1.560 -4.848 -8.729 412 1HG2 ILE 53 1HG2 ILE 53 -0.555 -5.052 -6.512 413 2HG2 ILE 53 2HG2 ILE 53 0.184 -6.574 -6.016 414 3HG2 ILE 53 3HG2 ILE 53 1.158 -5.373 -6.882 415 1HD1 ILE 53 1HD1 ILE 53 0.458 -3.641 -8.233 416 2HD1 ILE 53 2HD1 ILE 53 1.378 -4.583 -9.432 417 3HD1 ILE 53 3HD1 ILE 53 0.096 -3.476 -9.954 418 H GLY 54 H GLY 54 3.355 -7.140 -8.406 419 1HA GLY 54 2HA GLY 54 3.583 -9.189 -6.284 420 2HA GLY 54 1HA GLY 54 4.879 -8.277 -7.079 421 HA PRO 55 HA PRO 55 3.751 -6.120 -2.974 422 1HB PRO 55 2HB PRO 55 6.082 -6.735 -1.622 423 2HB PRO 55 3HB PRO 55 4.582 -7.687 -1.500 424 1HG PRO 55 2HG PRO 55 6.996 -8.259 -3.224 425 2HG PRO 55 3HG PRO 55 6.067 -9.396 -2.213 426 1HD PRO 55 2HD PRO 55 5.661 -9.190 -4.902 427 2HD PRO 55 3HD PRO 55 4.301 -9.499 -3.790 428 H ARG 56 H ARG 56 6.764 -6.754 -4.762 429 HA ARG 56 HA ARG 56 8.119 -4.314 -4.455 430 1HB ARG 56 2HB ARG 56 8.280 -6.658 -6.189 431 2HB ARG 56 3HB ARG 56 8.592 -5.199 -7.121 432 1HG ARG 56 2HG ARG 56 9.919 -5.749 -4.429 433 2HG ARG 56 3HG ARG 56 10.604 -6.308 -5.958 434 1HD ARG 56 2HD ARG 56 11.322 -4.272 -6.591 435 2HD ARG 56 3HD ARG 56 9.864 -3.458 -6.098 436 HE ARG 56 HE ARG 56 12.163 -4.210 -4.303 437 1HH1 ARG 56 2HH2 ARG 56 9.320 -2.043 -4.797 438 2HH1 ARG 56 1HH2 ARG 56 10.142 -0.753 -3.903 439 1HH2 ARG 56 2HH1 ARG 56 12.959 -2.395 -2.935 440 2HH2 ARG 56 1HH1 ARG 56 11.921 -0.966 -2.881 441 H ASP 57 H ASP 57 5.551 -4.998 -6.912 442 HA ASP 57 HA ASP 57 5.731 -2.537 -8.232 443 1HB ASP 57 2HB ASP 57 3.220 -4.155 -7.583 444 2HB ASP 57 3HB ASP 57 3.386 -2.933 -8.849 445 H ILE 58 H ILE 58 3.660 -3.457 -5.465 446 HA ILE 58 HA ILE 58 2.439 -0.892 -5.178 447 HB ILE 58 HB ILE 58 2.743 -3.209 -3.222 448 1HG1 ILE 58 2HG1 ILE 58 0.222 -2.366 -4.660 449 2HG1 ILE 58 3HG1 ILE 58 1.398 -3.359 -5.511 450 1HG2 ILE 58 1HG2 ILE 58 1.261 -0.572 -2.996 451 2HG2 ILE 58 2HG2 ILE 58 0.730 -2.009 -2.110 452 3HG2 ILE 58 3HG2 ILE 58 2.338 -1.347 -1.820 453 1HD1 ILE 58 1HD1 ILE 58 1.294 -5.115 -3.942 454 2HD1 ILE 58 2HD1 ILE 58 0.387 -4.146 -2.768 455 3HD1 ILE 58 3HD1 ILE 58 -0.388 -4.641 -4.284 456 H ILE 59 H ILE 59 5.074 -2.463 -3.275 457 HA ILE 59 HA ILE 59 5.718 -0.330 -1.560 458 HB ILE 59 HB ILE 59 7.348 -2.506 -2.911 459 1HG1 ILE 59 2HG1 ILE 59 6.560 -2.226 0.024 460 2HG1 ILE 59 3HG1 ILE 59 5.491 -3.001 -1.153 461 1HG2 ILE 59 1HG2 ILE 59 9.176 -2.015 -1.348 462 2HG2 ILE 59 2HG2 ILE 59 8.843 -0.633 -2.382 463 3HG2 ILE 59 3HG2 ILE 59 8.269 -0.617 -0.709 464 1HD1 ILE 59 1HD1 ILE 59 7.294 -4.576 -1.767 465 2HD1 ILE 59 2HD1 ILE 59 8.300 -3.921 -0.453 466 3HD1 ILE 59 3HD1 ILE 59 6.761 -4.722 -0.078 467 H HIS 60 H HIS 60 6.895 -1.036 -4.907 468 HA HIS 60 HA HIS 60 8.639 1.231 -4.883 469 1HB HIS 60 2HB HIS 60 9.036 -0.775 -6.263 470 2HB HIS 60 3HB HIS 60 7.569 -0.411 -7.167 471 HD1 HIS 60 1HD HIS 60 10.677 1.850 -6.277 472 HD2 HIS 60 2HD HIS 60 8.194 0.354 -9.265 473 HE1 HIS 60 1HE HIS 60 11.445 3.004 -8.439 474 H THR 61 H THR 61 5.232 0.819 -5.805 475 HA THR 61 HA THR 61 4.981 3.383 -7.121 476 HB THR 61 HB THR 61 2.889 1.783 -5.578 477 HG1 THR 61 1HG THR 61 3.846 0.664 -7.339 478 1HG2 THR 61 1HG2 THR 61 2.173 4.114 -5.954 479 2HG2 THR 61 2HG2 THR 61 2.612 3.977 -7.673 480 3HG2 THR 61 3HG2 THR 61 1.289 2.995 -7.007 481 H ILE 62 H ILE 62 4.635 2.237 -3.751 482 HA ILE 62 HA ILE 62 4.113 4.749 -2.528 483 HB ILE 62 HB ILE 62 5.214 2.108 -1.564 484 1HG1 ILE 62 2HG1 ILE 62 2.578 3.483 -0.982 485 2HG1 ILE 62 3HG1 ILE 62 2.806 2.379 -2.343 486 1HG2 ILE 62 1HG2 ILE 62 6.094 3.955 -0.064 487 2HG2 ILE 62 2HG2 ILE 62 4.377 4.361 0.259 488 3HG2 ILE 62 3HG2 ILE 62 5.039 2.786 0.703 489 1HD1 ILE 62 1HD1 ILE 62 3.499 0.580 -0.766 490 2HD1 ILE 62 2HD1 ILE 62 3.105 1.658 0.590 491 3HD1 ILE 62 3HD1 ILE 62 1.835 1.146 -0.529 492 H GLU 63 H GLU 63 7.264 3.144 -3.283 493 HA GLU 63 HA GLU 63 8.991 5.130 -2.188 494 1HB GLU 63 2HB GLU 63 9.333 3.400 -4.661 495 2HB GLU 63 3HB GLU 63 10.600 4.368 -3.939 496 1HG GLU 63 2HG GLU 63 10.718 3.025 -1.986 497 2HG GLU 63 3HG GLU 63 9.209 2.191 -2.350 498 H SER 64 H SER 64 7.743 4.721 -5.483 499 HA SER 64 HA SER 64 8.863 6.973 -6.673 500 1HB SER 64 2HB SER 64 7.838 5.018 -7.823 501 2HB SER 64 3HB SER 64 6.225 5.616 -7.379 502 HG SER 64 HG SER 64 6.974 6.225 -9.513 503 H LEU 65 H LEU 65 5.693 6.678 -5.019 504 HA LEU 65 HA LEU 65 4.792 9.307 -5.631 505 1HB LEU 65 2HB LEU 65 4.141 7.386 -3.379 506 2HB LEU 65 3HB LEU 65 3.327 8.948 -3.554 507 HG LEU 65 HG LEU 65 3.355 6.895 -5.798 508 1HD1 LEU 65 1HD1 LEU 65 1.129 6.208 -5.003 509 2HD1 LEU 65 2HD1 LEU 65 2.356 5.878 -3.774 510 3HD1 LEU 65 3HD1 LEU 65 1.281 7.283 -3.596 511 1HD2 LEU 65 1HD2 LEU 65 1.341 8.125 -6.528 512 2HD2 LEU 65 2HD2 LEU 65 1.528 9.260 -5.178 513 3HD2 LEU 65 3HD2 LEU 65 2.741 9.199 -6.476 514 H GLY 66 H GLY 66 5.666 8.419 -2.231 515 1HA GLY 66 2HA GLY 66 7.688 10.481 -2.148 516 2HA GLY 66 1HA GLY 66 6.192 11.025 -1.373 517 H PHE 67 H PHE 67 7.099 7.547 -1.143 518 HA PHE 67 HA PHE 67 7.252 8.064 1.819 519 1HB PHE 67 2HB PHE 67 5.472 6.178 0.311 520 2HB PHE 67 3HB PHE 67 5.390 6.513 2.042 521 HD1 PHE 67 1HD PHE 67 3.698 7.034 -0.939 522 HD2 PHE 67 2HD PHE 67 5.290 9.336 2.333 523 HE1 PHE 67 1HE PHE 67 2.135 8.884 -1.467 524 HE2 PHE 67 2HE PHE 67 3.714 11.162 1.830 525 HZ PHE 67 HZ PHE 67 2.102 10.932 -0.041 526 H GLU 68 H GLU 68 7.424 5.850 2.972 527 HA GLU 68 HA GLU 68 9.174 3.928 1.467 528 1HB GLU 68 2HB GLU 68 9.400 4.674 4.390 529 2HB GLU 68 3HB GLU 68 10.458 3.581 3.508 530 1HG GLU 68 2HG GLU 68 11.484 5.432 2.320 531 2HG GLU 68 3HG GLU 68 10.271 6.577 2.924 532 H ALA 69 H ALA 69 8.956 1.696 2.436 533 HA ALA 69 HA ALA 69 6.710 1.356 4.279 534 1HB ALA 69 1HB ALA 69 5.681 1.141 2.031 535 2HB ALA 69 2HB ALA 69 6.872 -0.108 1.606 536 3HB ALA 69 3HB ALA 69 5.677 -0.403 2.891 537 H SER 70 H SER 70 6.570 -0.751 5.249 538 HA SER 70 HA SER 70 8.657 -2.729 4.814 539 1HB SER 70 2HB SER 70 8.491 -1.143 7.420 540 2HB SER 70 3HB SER 70 9.293 -2.716 7.286 541 HG SER 70 HG SER 70 10.015 -0.791 5.394 542 H LEU 71 H LEU 71 7.927 -4.779 5.697 543 HA LEU 71 HA LEU 71 5.100 -5.079 5.742 544 1HB LEU 71 2HB LEU 71 7.255 -6.944 6.803 545 2HB LEU 71 3HB LEU 71 5.586 -7.400 6.444 546 HG LEU 71 HG LEU 71 7.629 -6.424 4.384 547 1HD1 LEU 71 1HD1 LEU 71 6.494 -9.197 4.920 548 2HD1 LEU 71 2HD1 LEU 71 7.607 -8.752 3.609 549 3HD1 LEU 71 3HD1 LEU 71 8.144 -8.653 5.294 550 1HD2 LEU 71 1HD2 LEU 71 4.763 -7.423 4.084 551 2HD2 LEU 71 2HD2 LEU 71 5.387 -5.818 3.633 552 3HD2 LEU 71 3HD2 LEU 71 5.912 -7.246 2.739 553 H VAL 72 H VAL 72 3.634 -5.680 7.466 554 HA VAL 72 HA VAL 72 4.635 -5.410 10.225 555 HB VAL 72 HB VAL 72 3.811 -3.165 9.452 556 1HG1 VAL 72 1HG1 VAL 72 1.002 -4.334 9.596 557 2HG1 VAL 72 2HG1 VAL 72 1.472 -2.691 9.176 558 3HG1 VAL 72 3HG1 VAL 72 1.851 -4.013 8.070 559 1HG2 VAL 72 1HG2 VAL 72 2.462 -2.754 11.507 560 2HG2 VAL 72 2HG2 VAL 72 2.353 -4.505 11.762 561 3HG2 VAL 72 3HG2 VAL 72 3.932 -3.692 11.802 562 H LYS 73 H LYS 73 3.845 -7.081 11.389 563 HA LYS 73 HA LYS 73 1.322 -8.226 11.225 564 1HB LYS 73 2HB LYS 73 3.343 -9.585 9.430 565 2HB LYS 73 3HB LYS 73 2.325 -10.610 10.431 566 1HG LYS 73 2HG LYS 73 1.324 -8.748 8.251 567 2HG LYS 73 3HG LYS 73 1.396 -10.482 8.276 568 1HD LYS 73 2HD LYS 73 -0.626 -10.630 9.130 569 2HD LYS 73 3HD LYS 73 -0.101 -9.870 10.616 570 1HE LYS 73 2HE LYS 73 -1.168 -8.450 8.110 571 2HE LYS 73 3HE LYS 73 -2.092 -8.768 9.582 572 1HZ LYS 73 1HZ LYS 73 0.258 -6.997 9.400 573 2HZ LYS 73 2HZ LYS 73 -1.311 -6.525 9.522 574 3HZ LYS 73 3HZ LYS 73 -0.600 -7.299 10.773 575 H ILE 74 H ILE 74 4.745 -9.154 11.729 576 HA ILE 74 HA ILE 74 4.055 -10.586 14.225 577 HB ILE 74 HB ILE 74 6.703 -10.009 12.837 578 1HG1 ILE 74 2HG1 ILE 74 5.135 -12.599 13.167 579 2HG1 ILE 74 3HG1 ILE 74 5.209 -11.628 11.690 580 1HG2 ILE 74 1HG2 ILE 74 7.730 -11.484 14.517 581 2HG2 ILE 74 2HG2 ILE 74 6.967 -10.131 15.331 582 3HG2 ILE 74 3HG2 ILE 74 6.156 -11.711 15.314 583 1HD1 ILE 74 1HD1 ILE 74 6.754 -13.421 11.428 584 2HD1 ILE 74 2HD1 ILE 74 7.698 -11.934 11.645 585 3HD1 ILE 74 3HD1 ILE 74 7.531 -13.097 12.983 586 H GLU 75 H GLU 75 6.526 -8.032 13.521 587 HA GLU 75 HA GLU 75 5.632 -6.297 15.683 588 1HB GLU 75 2HB GLU 75 7.309 -5.711 13.198 589 2HB GLU 75 3HB GLU 75 7.161 -4.737 14.662 590 1HG GLU 75 2HG GLU 75 9.247 -5.824 14.889 591 2HG GLU 75 3HG GLU 75 8.163 -6.738 15.945 Start of MODEL 3 1 1H MET 1 H1 MET 1 -3.229 -15.752 -6.851 2 2H MET 1 H2 MET 1 -3.937 -16.042 -8.228 3 3H MET 1 H3 MET 1 -4.237 -14.611 -7.471 4 HA MET 1 HA MET 1 -5.421 -17.221 -6.977 5 1HB MET 1 2HB MET 1 -4.642 -15.289 -4.742 6 2HB MET 1 3HB MET 1 -5.875 -16.535 -4.528 7 1HG MET 1 2HG MET 1 -2.995 -17.119 -5.266 8 2HG MET 1 3HG MET 1 -3.709 -17.255 -3.664 9 1HE MET 1 1HE MET 1 -3.022 -20.964 -4.822 10 2HE MET 1 2HE MET 1 -2.076 -19.536 -5.304 11 3HE MET 1 3HE MET 1 -2.632 -19.711 -3.618 12 H GLY 2 H GLY 2 -7.627 -16.351 -5.504 13 1HA GLY 2 2HA GLY 2 -9.202 -14.681 -7.209 14 2HA GLY 2 1HA GLY 2 -9.496 -15.007 -5.485 15 H ASP 3 H ASP 3 -7.536 -14.011 -4.092 16 HA ASP 3 HA ASP 3 -5.928 -12.101 -5.205 17 1HB ASP 3 2HB ASP 3 -6.491 -10.054 -4.329 18 2HB ASP 3 3HB ASP 3 -8.078 -10.633 -4.819 19 H GLY 4 H GLY 4 -4.768 -10.955 -3.028 20 1HA GLY 4 2HA GLY 4 -4.591 -12.959 -0.843 21 2HA GLY 4 1HA GLY 4 -3.131 -12.408 -1.692 22 H VAL 5 H VAL 5 -4.220 -11.982 1.143 23 HA VAL 5 HA VAL 5 -4.577 -9.062 1.241 24 HB VAL 5 HB VAL 5 -5.994 -10.543 2.611 25 1HG1 VAL 5 1HG1 VAL 5 -5.139 -11.641 4.606 26 2HG1 VAL 5 2HG1 VAL 5 -4.364 -12.335 3.174 27 3HG1 VAL 5 3HG1 VAL 5 -3.476 -11.189 4.202 28 1HG2 VAL 5 1HG2 VAL 5 -5.895 -9.247 4.624 29 2HG2 VAL 5 2HG2 VAL 5 -4.196 -8.816 4.364 30 3HG2 VAL 5 3HG2 VAL 5 -5.447 -8.181 3.279 31 H LEU 6 H LEU 6 -3.112 -7.627 2.247 32 HA LEU 6 HA LEU 6 -0.966 -8.729 3.796 33 1HB LEU 6 2HB LEU 6 0.084 -8.814 1.563 34 2HB LEU 6 3HB LEU 6 -0.243 -7.092 1.340 35 HG LEU 6 HG LEU 6 1.356 -6.582 3.184 36 1HD1 LEU 6 1HD1 LEU 6 1.839 -9.603 3.173 37 2HD1 LEU 6 2HD1 LEU 6 2.839 -8.402 4.014 38 3HD1 LEU 6 3HD1 LEU 6 1.175 -8.677 4.534 39 1HD2 LEU 6 1HD2 LEU 6 2.122 -6.657 0.856 40 2HD2 LEU 6 2HD2 LEU 6 3.386 -7.262 1.940 41 3HD2 LEU 6 3HD2 LEU 6 2.419 -8.404 0.991 42 H GLU 7 H GLU 7 0.137 -6.980 5.014 43 HA GLU 7 HA GLU 7 -1.289 -4.406 5.212 44 1HB GLU 7 2HB GLU 7 -2.551 -5.940 6.619 45 2HB GLU 7 3HB GLU 7 -1.083 -6.420 7.480 46 1HG GLU 7 2HG GLU 7 -2.014 -3.519 7.297 47 2HG GLU 7 3HG GLU 7 -2.591 -4.617 8.565 48 H LEU 8 H LEU 8 0.230 -2.964 5.137 49 HA LEU 8 HA LEU 8 3.007 -3.570 6.106 50 1HB LEU 8 2HB LEU 8 2.000 -1.791 3.841 51 2HB LEU 8 3HB LEU 8 3.691 -1.961 4.316 52 HG LEU 8 HG LEU 8 2.007 -4.311 3.312 53 1HD1 LEU 8 1HD1 LEU 8 3.092 -3.920 1.114 54 2HD1 LEU 8 2HD1 LEU 8 1.978 -2.624 1.582 55 3HD1 LEU 8 3HD1 LEU 8 3.725 -2.379 1.736 56 1HD2 LEU 8 1HD2 LEU 8 4.031 -4.978 4.509 57 2HD2 LEU 8 2HD2 LEU 8 4.278 -5.234 2.778 58 3HD2 LEU 8 3HD2 LEU 8 5.012 -3.828 3.570 59 H VAL 9 H VAL 9 3.915 -1.888 7.380 60 HA VAL 9 HA VAL 9 2.164 0.342 8.166 61 HB VAL 9 HB VAL 9 4.577 -0.931 9.283 62 1HG1 VAL 9 1HG1 VAL 9 4.265 2.088 9.405 63 2HG1 VAL 9 2HG1 VAL 9 5.292 1.109 10.471 64 3HG1 VAL 9 3HG1 VAL 9 5.635 1.152 8.733 65 1HG2 VAL 9 1HG2 VAL 9 2.396 0.830 10.516 66 2HG2 VAL 9 2HG2 VAL 9 2.227 -0.916 10.270 67 3HG2 VAL 9 3HG2 VAL 9 3.477 -0.282 11.364 68 H VAL 10 H VAL 10 2.393 2.342 7.151 69 HA VAL 10 HA VAL 10 4.391 2.628 4.974 70 HB VAL 10 HB VAL 10 1.444 3.388 5.064 71 1HG1 VAL 10 1HG1 VAL 10 3.604 3.924 2.988 72 2HG1 VAL 10 2HG1 VAL 10 1.861 4.238 2.775 73 3HG1 VAL 10 3HG1 VAL 10 2.777 5.137 3.993 74 1HG2 VAL 10 1HG2 VAL 10 1.431 1.904 3.008 75 2HG2 VAL 10 2HG2 VAL 10 3.077 1.402 3.412 76 3HG2 VAL 10 3HG2 VAL 10 1.743 1.028 4.519 77 H ARG 11 H ARG 11 5.830 3.922 5.823 78 HA ARG 11 HA ARG 11 5.111 5.970 7.836 79 1HB ARG 11 2HB ARG 11 7.716 4.721 6.912 80 2HB ARG 11 3HB ARG 11 7.613 5.945 8.172 81 1HG ARG 11 2HG ARG 11 6.589 4.469 9.696 82 2HG ARG 11 3HG ARG 11 5.980 3.409 8.425 83 1HD ARG 11 2HD ARG 11 8.115 2.581 7.891 84 2HD ARG 11 3HD ARG 11 8.958 3.684 8.998 85 HE ARG 11 HE ARG 11 7.325 2.329 10.699 86 1HH1 ARG 11 2HH2 ARG 11 9.716 1.244 8.281 87 2HH1 ARG 11 1HH2 ARG 11 9.575 -0.427 8.752 88 1HH2 ARG 11 2HH1 ARG 11 7.572 0.190 11.627 89 2HH2 ARG 11 1HH1 ARG 11 8.662 -0.943 10.955 90 H GLY 12 H GLY 12 5.268 8.124 7.367 91 1HA GLY 12 2HA GLY 12 6.319 9.988 6.293 92 2HA GLY 12 1HA GLY 12 6.561 9.042 4.825 93 H MET 13 H MET 13 3.530 8.091 5.668 94 HA MET 13 HA MET 13 2.161 9.645 3.747 95 1HB MET 13 2HB MET 13 1.878 7.259 4.298 96 2HB MET 13 3HB MET 13 1.351 7.684 5.939 97 1HG MET 13 2HG MET 13 -0.630 8.734 5.058 98 2HG MET 13 3HG MET 13 -0.015 8.581 3.405 99 1HE MET 13 1HE MET 13 -0.932 6.576 6.603 100 2HE MET 13 2HE MET 13 -1.239 4.941 5.970 101 3HE MET 13 3HE MET 13 0.413 5.586 5.978 102 H THR 14 H THR 14 2.884 11.716 4.848 103 HA THR 14 HA THR 14 2.077 12.206 7.494 104 HB THR 14 HB THR 14 4.128 13.035 6.463 105 HG1 THR 14 1HG THR 14 2.352 14.830 7.705 106 1HG2 THR 14 1HG2 THR 14 2.408 15.175 5.146 107 2HG2 THR 14 2HG2 THR 14 4.171 15.045 5.116 108 3HG2 THR 14 3HG2 THR 14 3.186 13.836 4.273 109 H CYS 15 H CYS 15 -0.116 12.474 4.932 110 HA CYS 15 HA CYS 15 -1.935 13.920 6.633 111 1HB CYS 15 2HB CYS 15 -2.380 15.598 4.595 112 2HB CYS 15 3HB CYS 15 -1.283 15.953 5.918 113 H ALA 16 H ALA 16 -4.075 14.113 5.668 114 HA ALA 16 HA ALA 16 -5.115 11.771 4.564 115 1HB ALA 16 1HB ALA 16 -6.178 14.619 4.319 116 2HB ALA 16 2HB ALA 16 -7.105 13.137 4.023 117 3HB ALA 16 3HB ALA 16 -6.496 13.486 5.656 118 H SER 17 H SER 17 -3.967 14.759 2.980 119 HA SER 17 HA SER 17 -4.452 14.354 0.323 120 1HB SER 17 2HB SER 17 -1.838 15.342 1.526 121 2HB SER 17 3HB SER 17 -2.602 15.849 0.006 122 HG SER 17 HG SER 17 -4.337 16.679 1.283 123 H CYS 18 H CYS 18 -1.904 12.776 2.346 124 HA CYS 18 HA CYS 18 -0.842 11.347 0.032 125 1HB CYS 18 2HB CYS 18 -0.028 11.253 2.905 126 2HB CYS 18 3HB CYS 18 0.652 10.269 1.603 127 H VAL 19 H VAL 19 -2.772 10.488 2.908 128 HA VAL 19 HA VAL 19 -3.176 7.822 2.447 129 HB VAL 19 HB VAL 19 -5.165 9.951 3.295 130 1HG1 VAL 19 1HG1 VAL 19 -6.492 7.995 2.533 131 2HG1 VAL 19 2HG1 VAL 19 -5.665 7.016 3.757 132 3HG1 VAL 19 3HG1 VAL 19 -6.644 8.391 4.242 133 1HG2 VAL 19 1HG2 VAL 19 -3.591 7.937 4.941 134 2HG2 VAL 19 2HG2 VAL 19 -3.202 9.660 4.788 135 3HG2 VAL 19 3HG2 VAL 19 -4.709 9.162 5.566 136 H HIS 20 H HIS 20 -5.380 10.335 1.020 137 HA HIS 20 HA HIS 20 -6.555 8.268 -0.603 138 1HB HIS 20 2HB HIS 20 -8.110 9.706 -1.366 139 2HB HIS 20 3HB HIS 20 -7.772 10.279 0.264 140 HD1 HIS 20 1HD HIS 20 -8.888 11.893 -2.503 141 HD2 HIS 20 2HD HIS 20 -5.278 12.187 -0.399 142 HE1 HIS 20 1HE HIS 20 -7.953 14.220 -2.978 143 H LYS 21 H LYS 21 -3.928 10.550 -1.260 144 HA LYS 21 HA LYS 21 -3.805 10.252 -4.102 145 1HB LYS 21 2HB LYS 21 -2.553 11.959 -3.018 146 2HB LYS 21 3HB LYS 21 -1.790 10.764 -1.944 147 1HG LYS 21 2HG LYS 21 -0.422 9.913 -3.751 148 2HG LYS 21 3HG LYS 21 -1.241 10.948 -4.928 149 1HD LYS 21 2HD LYS 21 1.042 11.765 -4.128 150 2HD LYS 21 3HD LYS 21 -0.276 12.946 -3.990 151 1HE LYS 21 2HE LYS 21 -0.521 12.610 -1.656 152 2HE LYS 21 3HE LYS 21 0.482 11.124 -1.685 153 1HZ LYS 21 1HZ LYS 21 1.427 13.893 -1.996 154 2HZ LYS 21 2HZ LYS 21 1.547 12.940 -0.654 155 3HZ LYS 21 3HZ LYS 21 2.383 12.544 -2.025 156 H ILE 22 H ILE 22 -2.151 8.428 -1.449 157 HA ILE 22 HA ILE 22 -0.921 6.448 -3.030 158 HB ILE 22 HB ILE 22 -2.076 6.289 -0.220 159 1HG1 ILE 22 2HG1 ILE 22 0.850 6.370 -1.028 160 2HG1 ILE 22 3HG1 ILE 22 -0.071 7.863 -0.818 161 1HG2 ILE 22 1HG2 ILE 22 -0.276 4.310 -1.689 162 2HG2 ILE 22 2HG2 ILE 22 -0.624 4.257 0.045 163 3HG2 ILE 22 3HG2 ILE 22 -1.925 3.996 -1.108 164 1HD1 ILE 22 1HD1 ILE 22 0.393 5.756 1.337 165 2HD1 ILE 22 2HD1 ILE 22 1.044 7.396 1.279 166 3HD1 ILE 22 3HD1 ILE 22 -0.696 7.156 1.477 167 H GLU 23 H GLU 23 -4.130 6.223 -1.329 168 HA GLU 23 HA GLU 23 -4.751 3.739 -2.402 169 1HB GLU 23 2HB GLU 23 -6.595 6.010 -1.524 170 2HB GLU 23 3HB GLU 23 -7.174 4.383 -1.909 171 1HG GLU 23 2HG GLU 23 -5.697 3.408 -0.217 172 2HG GLU 23 3HG GLU 23 -5.086 5.017 0.216 173 H SER 24 H SER 24 -5.851 6.893 -3.648 174 HA SER 24 HA SER 24 -7.302 5.986 -5.877 175 1HB SER 24 2HB SER 24 -7.335 8.285 -4.951 176 2HB SER 24 3HB SER 24 -5.701 8.571 -5.580 177 HG SER 24 HG SER 24 -7.373 9.326 -6.984 178 H SER 25 H SER 25 -3.774 6.601 -5.513 179 HA SER 25 HA SER 25 -3.253 6.415 -8.360 180 1HB SER 25 2HB SER 25 -1.815 7.681 -6.778 181 2HB SER 25 3HB SER 25 -1.331 6.165 -5.997 182 HG SER 25 HG SER 25 -0.487 5.526 -8.067 183 H LEU 26 H LEU 26 -2.717 4.264 -5.520 184 HA LEU 26 HA LEU 26 -1.665 2.124 -7.013 185 1HB LEU 26 2HB LEU 26 -2.784 2.541 -4.266 186 2HB LEU 26 3HB LEU 26 -2.849 0.911 -4.851 187 HG LEU 26 HG LEU 26 -0.848 1.286 -3.599 188 1HD1 LEU 26 1HD1 LEU 26 0.775 0.283 -4.978 189 2HD1 LEU 26 2HD1 LEU 26 -0.794 -0.287 -5.585 190 3HD1 LEU 26 3HD1 LEU 26 0.105 0.987 -6.444 191 1HD2 LEU 26 1HD2 LEU 26 0.963 2.800 -4.357 192 2HD2 LEU 26 2HD2 LEU 26 -0.045 3.348 -5.712 193 3HD2 LEU 26 3HD2 LEU 26 -0.523 3.712 -4.043 194 H THR 27 H THR 27 -5.049 2.792 -6.098 195 HA THR 27 HA THR 27 -6.146 0.378 -7.081 196 HB THR 27 HB THR 27 -7.412 3.136 -6.957 197 HG1 THR 27 1HG THR 27 -6.652 2.551 -4.967 198 1HG2 THR 27 1HG2 THR 27 -8.879 1.608 -8.212 199 2HG2 THR 27 2HG2 THR 27 -8.645 0.340 -6.985 200 3HG2 THR 27 3HG2 THR 27 -9.521 1.830 -6.579 201 H LYS 28 H LYS 28 -4.694 2.960 -8.933 202 HA LYS 28 HA LYS 28 -5.967 2.628 -11.407 203 1HB LYS 28 2HB LYS 28 -4.173 4.286 -10.859 204 2HB LYS 28 3HB LYS 28 -3.018 2.940 -10.762 205 1HG LYS 28 2HG LYS 28 -2.639 4.065 -12.712 206 2HG LYS 28 3HG LYS 28 -3.260 2.476 -13.141 207 1HD LYS 28 2HD LYS 28 -5.159 4.849 -12.957 208 2HD LYS 28 3HD LYS 28 -4.068 4.735 -14.345 209 1HE LYS 28 2HE LYS 28 -4.958 2.523 -14.956 210 2HE LYS 28 3HE LYS 28 -6.060 2.542 -13.580 211 1HZ LYS 28 1HZ LYS 28 -6.130 4.447 -15.810 212 2HZ LYS 28 2HZ LYS 28 -7.166 3.197 -15.557 213 3HZ LYS 28 3HZ LYS 28 -7.137 4.458 -14.506 214 H HIS 29 H HIS 29 -3.560 0.541 -9.682 215 HA HIS 29 HA HIS 29 -3.181 -1.095 -12.116 216 1HB HIS 29 2HB HIS 29 -2.001 -1.734 -9.431 217 2HB HIS 29 3HB HIS 29 -1.381 -2.072 -11.046 218 HD1 HIS 29 1HD HIS 29 -0.971 0.677 -12.329 219 HD2 HIS 29 2HD HIS 29 -0.811 0.051 -8.188 220 HE1 HIS 29 1HE HIS 29 0.159 2.743 -11.321 221 H ARG 30 H ARG 30 -4.893 -2.447 -12.517 222 HA ARG 30 HA ARG 30 -6.801 -3.356 -10.735 223 1HB ARG 30 2HB ARG 30 -5.702 -4.943 -13.094 224 2HB ARG 30 3HB ARG 30 -7.284 -5.156 -12.316 225 1HG ARG 30 2HG ARG 30 -7.893 -2.818 -13.008 226 2HG ARG 30 3HG ARG 30 -6.390 -2.734 -13.941 227 1HD ARG 30 2HD ARG 30 -8.708 -4.682 -14.371 228 2HD ARG 30 3HD ARG 30 -8.246 -3.337 -15.388 229 HE ARG 30 HE ARG 30 -6.409 -4.449 -16.238 230 1HH1 ARG 30 2HH2 ARG 30 -7.994 -6.506 -13.828 231 2HH1 ARG 30 1HH2 ARG 30 -7.206 -7.964 -14.332 232 1HH2 ARG 30 2HH1 ARG 30 -5.344 -6.373 -16.914 233 2HH2 ARG 30 1HH1 ARG 30 -5.662 -7.876 -16.115 234 H GLY 31 H GLY 31 -3.537 -4.547 -10.921 235 1HA GLY 31 2HA GLY 31 -3.790 -7.119 -9.819 236 2HA GLY 31 1HA GLY 31 -2.419 -6.016 -9.574 237 H ILE 32 H ILE 32 -4.096 -3.892 -8.244 238 HA ILE 32 HA ILE 32 -4.536 -5.228 -5.639 239 HB ILE 32 HB ILE 32 -3.114 -3.595 -5.222 240 1HG1 ILE 32 2HG1 ILE 32 -5.374 -3.487 -3.949 241 2HG1 ILE 32 3HG1 ILE 32 -4.159 -2.234 -3.704 242 1HG2 ILE 32 1HG2 ILE 32 -4.474 -1.667 -7.102 243 2HG2 ILE 32 2HG2 ILE 32 -3.165 -1.263 -5.971 244 3HG2 ILE 32 3HG2 ILE 32 -2.866 -2.413 -7.267 245 1HD1 ILE 32 1HD1 ILE 32 -6.541 -1.379 -4.026 246 2HD1 ILE 32 2HD1 ILE 32 -5.306 -0.646 -5.051 247 3HD1 ILE 32 3HD1 ILE 32 -6.404 -1.861 -5.719 248 H LEU 33 H LEU 33 -6.543 -5.597 -4.948 249 HA LEU 33 HA LEU 33 -8.820 -4.774 -6.679 250 1HB LEU 33 2HB LEU 33 -8.614 -6.773 -4.382 251 2HB LEU 33 3HB LEU 33 -10.089 -6.340 -5.229 252 HG LEU 33 HG LEU 33 -9.325 -8.441 -6.000 253 1HD1 LEU 33 1HD1 LEU 33 -8.757 -6.438 -8.227 254 2HD1 LEU 33 2HD1 LEU 33 -9.309 -8.112 -8.393 255 3HD1 LEU 33 3HD1 LEU 33 -10.383 -6.899 -7.666 256 1HD2 LEU 33 1HD2 LEU 33 -7.255 -8.937 -7.047 257 2HD2 LEU 33 2HD2 LEU 33 -6.742 -7.244 -7.047 258 3HD2 LEU 33 3HD2 LEU 33 -6.896 -8.131 -5.510 259 H TYR 34 H TYR 34 -7.594 -4.627 -3.288 260 HA TYR 34 HA TYR 34 -9.067 -2.094 -3.003 261 1HB TYR 34 2HB TYR 34 -10.607 -3.846 -2.095 262 2HB TYR 34 3HB TYR 34 -9.321 -4.361 -1.001 263 HD1 TYR 34 HD1 TYR 34 -9.959 -3.878 1.186 264 HD2 TYR 34 HD2 TYR 34 -10.730 -0.952 -1.892 265 HE1 TYR 34 HE1 TYR 34 -10.527 -2.199 2.911 266 HE2 TYR 34 HE2 TYR 34 -11.139 0.754 -0.161 267 HH TYR 34 HH TYR 34 -10.803 1.255 2.061 268 H CYS 35 H CYS 35 -8.129 -0.674 -1.584 269 HA CYS 35 HA CYS 35 -5.697 -1.420 -0.106 270 1HB CYS 35 2HB CYS 35 -4.624 0.678 -0.812 271 2HB CYS 35 3HB CYS 35 -4.824 -0.432 -2.180 272 HG CYS 35 HG CYS 35 -6.881 0.675 -3.229 273 H SER 36 H SER 36 -5.548 -0.326 1.796 274 HA SER 36 HA SER 36 -7.770 1.473 2.627 275 1HB SER 36 2HB SER 36 -8.314 -1.051 2.693 276 2HB SER 36 3HB SER 36 -7.138 -1.184 3.974 277 HG SER 36 HG SER 36 -9.574 0.243 3.897 278 H VAL 37 H VAL 37 -6.097 3.037 2.891 279 HA VAL 37 HA VAL 37 -3.941 2.332 4.792 280 HB VAL 37 HB VAL 37 -2.528 3.888 3.794 281 1HG1 VAL 37 1HG1 VAL 37 -2.467 3.459 1.458 282 2HG1 VAL 37 2HG1 VAL 37 -3.076 1.967 2.217 283 3HG1 VAL 37 3HG1 VAL 37 -4.190 3.066 1.399 284 1HG2 VAL 37 1HG2 VAL 37 -3.821 5.860 3.751 285 2HG2 VAL 37 2HG2 VAL 37 -3.324 5.551 2.080 286 3HG2 VAL 37 3HG2 VAL 37 -4.981 5.168 2.583 287 H ALA 38 H ALA 38 -3.288 3.813 6.471 288 HA ALA 38 HA ALA 38 -5.018 6.117 6.981 289 1HB ALA 38 1HB ALA 38 -5.653 5.381 9.274 290 2HB ALA 38 2HB ALA 38 -6.404 4.365 8.024 291 3HB ALA 38 3HB ALA 38 -4.990 3.774 8.928 292 H LEU 39 H LEU 39 -3.846 7.661 7.987 293 HA LEU 39 HA LEU 39 -1.108 7.115 8.860 294 1HB LEU 39 2HB LEU 39 -0.906 9.514 9.102 295 2HB LEU 39 3HB LEU 39 -1.431 8.979 7.511 296 HG LEU 39 HG LEU 39 -3.787 9.671 8.062 297 1HD1 LEU 39 1HD1 LEU 39 -2.445 10.809 10.559 298 2HD1 LEU 39 2HD1 LEU 39 -4.001 11.378 9.925 299 3HD1 LEU 39 3HD1 LEU 39 -3.853 9.722 10.495 300 1HD2 LEU 39 1HD2 LEU 39 -3.314 12.045 7.734 301 2HD2 LEU 39 2HD2 LEU 39 -1.636 11.810 8.275 302 3HD2 LEU 39 3HD2 LEU 39 -2.204 11.049 6.774 303 H ALA 40 H ALA 40 -4.149 7.076 10.409 304 HA ALA 40 HA ALA 40 -3.387 7.887 13.035 305 1HB ALA 40 1HB ALA 40 -5.726 7.481 12.385 306 2HB ALA 40 2HB ALA 40 -5.385 5.753 12.146 307 3HB ALA 40 3HB ALA 40 -5.272 6.467 13.768 308 H THR 41 H THR 41 -3.297 4.719 11.385 309 HA THR 41 HA THR 41 -1.540 3.578 13.473 310 HB THR 41 HB THR 41 -3.156 2.053 12.876 311 HG1 THR 41 1HG THR 41 -0.960 1.254 12.788 312 1HG2 THR 41 1HG2 THR 41 -4.163 2.920 10.917 313 2HG2 THR 41 2HG2 THR 41 -2.645 2.746 9.992 314 3HG2 THR 41 3HG2 THR 41 -3.542 1.309 10.540 315 H ASN 42 H ASN 42 -1.514 4.624 10.065 316 HA ASN 42 HA ASN 42 0.147 5.311 8.681 317 1HB ASN 42 2HB ASN 42 2.294 4.483 10.678 318 2HB ASN 42 3HB ASN 42 2.485 5.334 9.156 319 1HD2 ASN 42 1HD2 ASN 42 1.072 5.567 12.373 320 2HD2 ASN 42 2HD2 ASN 42 0.649 7.277 12.265 321 H LYS 43 H LYS 43 -1.212 3.416 7.917 322 HA LYS 43 HA LYS 43 0.589 1.264 7.155 323 1HB LYS 43 2HB LYS 43 -0.288 -0.376 8.406 324 2HB LYS 43 3HB LYS 43 -1.079 0.820 9.363 325 1HG LYS 43 2HG LYS 43 -2.253 -0.903 7.181 326 2HG LYS 43 3HG LYS 43 -2.628 -0.820 8.888 327 1HD LYS 43 2HD LYS 43 -3.222 1.756 8.162 328 2HD LYS 43 3HD LYS 43 -3.582 0.958 6.649 329 1HE LYS 43 2HE LYS 43 -4.801 -0.197 9.155 330 2HE LYS 43 3HE LYS 43 -5.401 1.335 8.531 331 1HZ LYS 43 1HZ LYS 43 -5.259 -1.208 7.051 332 2HZ LYS 43 2HZ LYS 43 -6.629 -0.446 7.554 333 3HZ LYS 43 3HZ LYS 43 -5.707 0.204 6.356 334 H ALA 44 H ALA 44 -0.319 -0.152 5.610 335 HA ALA 44 HA ALA 44 -2.698 0.755 4.116 336 1HB ALA 44 1HB ALA 44 -0.036 -0.079 2.907 337 2HB ALA 44 2HB ALA 44 -1.560 0.137 2.013 338 3HB ALA 44 3HB ALA 44 -0.796 1.533 2.825 339 H HIS 45 H HIS 45 -4.067 -0.815 4.535 340 HA HIS 45 HA HIS 45 -3.200 -3.689 4.489 341 1HB HIS 45 2HB HIS 45 -4.646 -3.080 6.371 342 2HB HIS 45 3HB HIS 45 -5.856 -2.450 5.243 343 HD1 HIS 45 1HD HIS 45 -5.142 -5.489 7.119 344 HD2 HIS 45 2HD HIS 45 -6.639 -4.499 3.319 345 HE1 HIS 45 1HE HIS 45 -6.524 -7.485 6.339 346 H ILE 46 H ILE 46 -3.636 -4.847 2.715 347 HA ILE 46 HA ILE 46 -4.963 -3.532 0.462 348 HB ILE 46 HB ILE 46 -3.087 -4.114 -1.007 349 1HG1 ILE 46 2HG1 ILE 46 -1.408 -4.554 1.515 350 2HG1 ILE 46 3HG1 ILE 46 -2.047 -5.862 0.501 351 1HG2 ILE 46 1HG2 ILE 46 -2.149 -2.240 1.192 352 2HG2 ILE 46 2HG2 ILE 46 -1.713 -2.200 -0.531 353 3HG2 ILE 46 3HG2 ILE 46 -3.362 -1.816 -0.041 354 1HD1 ILE 46 1HD1 ILE 46 -0.067 -3.734 -0.345 355 2HD1 ILE 46 2HD1 ILE 46 0.190 -5.480 -0.238 356 3HD1 ILE 46 3HD1 ILE 46 -0.919 -4.835 -1.463 357 H LYS 47 H LYS 47 -5.598 -4.935 -1.072 358 HA LYS 47 HA LYS 47 -5.675 -7.861 -0.516 359 1HB LYS 47 2HB LYS 47 -7.757 -5.712 -0.608 360 2HB LYS 47 3HB LYS 47 -8.225 -7.288 -1.226 361 1HG LYS 47 2HG LYS 47 -7.160 -6.571 1.557 362 2HG LYS 47 3HG LYS 47 -8.864 -6.751 1.193 363 1HD LYS 47 2HD LYS 47 -6.874 -9.046 0.917 364 2HD LYS 47 3HD LYS 47 -7.679 -8.639 2.431 365 1HE LYS 47 2HE LYS 47 -8.762 -10.501 1.283 366 2HE LYS 47 3HE LYS 47 -9.879 -9.142 1.498 367 1HZ LYS 47 1HZ LYS 47 -9.428 -10.394 -0.885 368 2HZ LYS 47 2HZ LYS 47 -9.892 -8.794 -0.778 369 3HZ LYS 47 3HZ LYS 47 -8.333 -9.285 -0.940 370 H TYR 48 H TYR 48 -4.513 -8.473 -2.274 371 HA TYR 48 HA TYR 48 -4.923 -7.196 -4.898 372 1HB TYR 48 2HB TYR 48 -2.652 -6.534 -5.110 373 2HB TYR 48 3HB TYR 48 -3.211 -5.855 -3.585 374 HD1 TYR 48 HD1 TYR 48 -0.705 -7.854 -5.221 375 HD2 TYR 48 HD2 TYR 48 -2.684 -7.316 -1.427 376 HE1 TYR 48 HE1 TYR 48 1.086 -9.129 -4.103 377 HE2 TYR 48 HE2 TYR 48 -1.039 -8.799 -0.372 378 HH TYR 48 HH TYR 48 0.880 -10.036 -0.650 379 H ASP 49 H ASP 49 -4.271 -8.567 -6.615 380 HA ASP 49 HA ASP 49 -3.916 -11.388 -5.843 381 1HB ASP 49 2HB ASP 49 -5.459 -10.969 -7.633 382 2HB ASP 49 3HB ASP 49 -4.238 -10.062 -8.539 383 HA PRO 50 HA PRO 50 0.503 -10.538 -6.056 384 1HB PRO 50 2HB PRO 50 1.514 -13.049 -5.586 385 2HB PRO 50 3HB PRO 50 0.856 -11.971 -4.320 386 1HG PRO 50 2HG PRO 50 -0.574 -14.207 -5.770 387 2HG PRO 50 3HG PRO 50 -0.521 -13.909 -4.008 388 1HD PRO 50 2HD PRO 50 -2.613 -13.111 -5.490 389 2HD PRO 50 3HD PRO 50 -1.990 -12.038 -4.208 390 H GLU 51 H GLU 51 -1.122 -13.090 -7.995 391 HA GLU 51 HA GLU 51 1.146 -13.459 -9.774 392 1HB GLU 51 2HB GLU 51 -1.758 -14.318 -9.954 393 2HB GLU 51 3HB GLU 51 -0.476 -14.876 -11.024 394 1HG GLU 51 2HG GLU 51 0.164 -16.472 -9.587 395 2HG GLU 51 3HG GLU 51 0.404 -15.302 -8.287 396 H ILE 52 H ILE 52 0.728 -10.766 -9.755 397 HA ILE 52 HA ILE 52 0.485 -10.043 -12.434 398 HB ILE 52 HB ILE 52 -1.905 -10.372 -12.297 399 1HG1 ILE 52 2HG1 ILE 52 -2.807 -8.188 -12.814 400 2HG1 ILE 52 3HG1 ILE 52 -1.381 -7.379 -12.152 401 1HG2 ILE 52 1HG2 ILE 52 -1.934 -8.537 -9.881 402 2HG2 ILE 52 2HG2 ILE 52 -3.346 -9.241 -10.708 403 3HG2 ILE 52 3HG2 ILE 52 -2.198 -10.293 -9.883 404 1HD1 ILE 52 1HD1 ILE 52 -1.349 -7.607 -14.653 405 2HD1 ILE 52 2HD1 ILE 52 0.032 -8.416 -13.893 406 3HD1 ILE 52 3HD1 ILE 52 -1.347 -9.377 -14.465 407 H ILE 53 H ILE 53 0.288 -8.973 -8.996 408 HA ILE 53 HA ILE 53 2.378 -7.028 -9.686 409 HB ILE 53 HB ILE 53 0.076 -5.917 -9.661 410 1HG1 ILE 53 2HG1 ILE 53 2.046 -4.787 -7.651 411 2HG1 ILE 53 3HG1 ILE 53 2.325 -4.782 -9.405 412 1HG2 ILE 53 1HG2 ILE 53 -0.767 -7.119 -7.581 413 2HG2 ILE 53 2HG2 ILE 53 0.354 -6.100 -6.636 414 3HG2 ILE 53 3HG2 ILE 53 -0.968 -5.367 -7.547 415 1HD1 ILE 53 1HD1 ILE 53 1.393 -2.651 -8.775 416 2HD1 ILE 53 2HD1 ILE 53 0.195 -3.552 -9.733 417 3HD1 ILE 53 3HD1 ILE 53 0.015 -3.417 -7.967 418 H GLY 54 H GLY 54 4.109 -7.493 -8.390 419 1HA GLY 54 2HA GLY 54 3.763 -9.423 -6.247 420 2HA GLY 54 1HA GLY 54 5.246 -8.553 -6.699 421 HA PRO 55 HA PRO 55 3.127 -6.486 -2.874 422 1HB PRO 55 2HB PRO 55 4.895 -7.396 -0.947 423 2HB PRO 55 3HB PRO 55 3.311 -8.137 -1.308 424 1HG PRO 55 2HG PRO 55 6.021 -9.022 -2.309 425 2HG PRO 55 3HG PRO 55 4.702 -10.027 -1.648 426 1HD PRO 55 2HD PRO 55 5.082 -9.770 -4.323 427 2HD PRO 55 3HD PRO 55 3.431 -9.838 -3.643 428 H ARG 56 H ARG 56 6.507 -7.409 -3.673 429 HA ARG 56 HA ARG 56 7.833 -5.055 -2.974 430 1HB ARG 56 2HB ARG 56 8.349 -6.751 -5.445 431 2HB ARG 56 3HB ARG 56 9.451 -5.587 -4.692 432 1HG ARG 56 2HG ARG 56 9.229 -7.031 -2.538 433 2HG ARG 56 3HG ARG 56 8.584 -8.287 -3.613 434 1HD ARG 56 2HD ARG 56 11.269 -6.873 -3.742 435 2HD ARG 56 3HD ARG 56 10.998 -8.596 -3.391 436 HE ARG 56 HE ARG 56 9.860 -8.276 -5.872 437 1HH1 ARG 56 2HH2 ARG 56 13.072 -7.631 -4.582 438 2HH1 ARG 56 1HH2 ARG 56 13.882 -7.660 -6.118 439 1HH2 ARG 56 2HH1 ARG 56 10.879 -8.291 -7.940 440 2HH2 ARG 56 1HH1 ARG 56 12.595 -8.097 -8.074 441 H ASP 57 H ASP 57 5.749 -5.638 -5.872 442 HA ASP 57 HA ASP 57 6.733 -3.275 -7.251 443 1HB ASP 57 2HB ASP 57 4.252 -4.933 -7.726 444 2HB ASP 57 3HB ASP 57 4.939 -3.728 -8.826 445 H ILE 58 H ILE 58 3.986 -4.088 -5.163 446 HA ILE 58 HA ILE 58 2.793 -1.468 -5.183 447 HB ILE 58 HB ILE 58 2.749 -3.738 -3.186 448 1HG1 ILE 58 2HG1 ILE 58 0.335 -2.695 -4.620 449 2HG1 ILE 58 3HG1 ILE 58 1.518 -3.528 -5.629 450 1HG2 ILE 58 1HG2 ILE 58 0.836 -2.503 -2.118 451 2HG2 ILE 58 2HG2 ILE 58 2.416 -1.772 -1.829 452 3HG2 ILE 58 3HG2 ILE 58 1.314 -1.060 -3.029 453 1HD1 ILE 58 1HD1 ILE 58 0.515 -4.755 -3.061 454 2HD1 ILE 58 2HD1 ILE 58 -0.289 -5.000 -4.626 455 3HD1 ILE 58 3HD1 ILE 58 1.392 -5.538 -4.383 456 H ILE 59 H ILE 59 5.376 -2.924 -3.066 457 HA ILE 59 HA ILE 59 5.894 -0.612 -1.552 458 HB ILE 59 HB ILE 59 7.951 -2.622 -2.563 459 1HG1 ILE 59 2HG1 ILE 59 6.207 -3.808 -1.284 460 2HG1 ILE 59 3HG1 ILE 59 7.765 -3.796 -0.485 461 1HG2 ILE 59 1HG2 ILE 59 9.192 -1.900 -0.535 462 2HG2 ILE 59 2HG2 ILE 59 9.060 -0.696 -1.822 463 3HG2 ILE 59 3HG2 ILE 59 8.027 -0.558 -0.384 464 1HD1 ILE 59 1HD1 ILE 59 6.979 -2.062 1.064 465 2HD1 ILE 59 2HD1 ILE 59 5.421 -1.985 0.185 466 3HD1 ILE 59 3HD1 ILE 59 5.888 -3.455 1.062 467 H HIS 60 H HIS 60 7.505 -1.557 -4.639 468 HA HIS 60 HA HIS 60 9.052 0.701 -5.052 469 1HB HIS 60 2HB HIS 60 7.534 -0.787 -7.232 470 2HB HIS 60 3HB HIS 60 8.993 0.179 -7.425 471 HD1 HIS 60 1HD HIS 60 8.598 -3.047 -8.124 472 HD2 HIS 60 2HD HIS 60 10.584 -1.268 -4.852 473 HE1 HIS 60 1HE HIS 60 10.288 -4.737 -7.293 474 H THR 61 H THR 61 5.597 0.244 -5.828 475 HA THR 61 HA THR 61 5.297 2.767 -7.171 476 HB THR 61 HB THR 61 3.144 1.121 -5.781 477 HG1 THR 61 1HG THR 61 4.318 -0.105 -7.312 478 1HG2 THR 61 1HG2 THR 61 3.087 3.170 -8.050 479 2HG2 THR 61 2HG2 THR 61 1.721 2.162 -7.557 480 3HG2 THR 61 3HG2 THR 61 2.371 3.364 -6.433 481 H ILE 62 H ILE 62 4.665 1.704 -3.792 482 HA ILE 62 HA ILE 62 3.788 4.216 -2.793 483 HB ILE 62 HB ILE 62 4.713 1.618 -1.699 484 1HG1 ILE 62 2HG1 ILE 62 2.662 3.583 -0.626 485 2HG1 ILE 62 3HG1 ILE 62 2.333 2.565 -2.053 486 1HG2 ILE 62 1HG2 ILE 62 6.256 2.844 -0.368 487 2HG2 ILE 62 2HG2 ILE 62 5.112 4.189 -0.148 488 3HG2 ILE 62 3HG2 ILE 62 4.840 2.666 0.669 489 1HD1 ILE 62 1HD1 ILE 62 2.873 1.581 0.765 490 2HD1 ILE 62 2HD1 ILE 62 1.384 1.456 -0.173 491 3HD1 ILE 62 3HD1 ILE 62 2.813 0.530 -0.670 492 H GLU 63 H GLU 63 7.117 2.871 -2.978 493 HA GLU 63 HA GLU 63 8.449 5.108 -1.853 494 1HB GLU 63 2HB GLU 63 9.350 3.115 -3.984 495 2HB GLU 63 3HB GLU 63 10.410 4.275 -3.175 496 1HG GLU 63 2HG GLU 63 9.940 3.266 -0.996 497 2HG GLU 63 3HG GLU 63 8.810 2.121 -1.722 498 H SER 64 H SER 64 7.718 4.350 -5.272 499 HA SER 64 HA SER 64 8.758 6.643 -6.468 500 1HB SER 64 2HB SER 64 7.896 4.601 -7.624 501 2HB SER 64 3HB SER 64 6.238 5.162 -7.330 502 HG SER 64 HG SER 64 7.063 5.770 -9.398 503 H LEU 65 H LEU 65 5.410 6.192 -5.162 504 HA LEU 65 HA LEU 65 4.591 8.883 -5.688 505 1HB LEU 65 2HB LEU 65 3.629 6.650 -3.893 506 2HB LEU 65 3HB LEU 65 3.059 8.283 -3.579 507 HG LEU 65 HG LEU 65 1.490 7.020 -4.907 508 1HD1 LEU 65 1HD1 LEU 65 2.611 9.320 -6.553 509 2HD1 LEU 65 2HD1 LEU 65 0.944 8.730 -6.494 510 3HD1 LEU 65 3HD1 LEU 65 1.652 9.518 -5.071 511 1HD2 LEU 65 1HD2 LEU 65 2.949 5.611 -6.223 512 2HD2 LEU 65 2HD2 LEU 65 1.886 6.544 -7.280 513 3HD2 LEU 65 3HD2 LEU 65 3.587 7.016 -7.110 514 H GLY 66 H GLY 66 5.787 7.420 -2.603 515 1HA GLY 66 2HA GLY 66 7.082 9.922 -1.911 516 2HA GLY 66 1HA GLY 66 5.602 9.677 -0.983 517 H PHE 67 H PHE 67 6.020 6.699 -0.757 518 HA PHE 67 HA PHE 67 7.101 7.533 1.882 519 1HB PHE 67 2HB PHE 67 4.859 5.579 1.436 520 2HB PHE 67 3HB PHE 67 5.208 6.572 2.826 521 HD1 PHE 67 1HD PHE 67 5.090 9.134 2.536 522 HD2 PHE 67 2HD PHE 67 3.547 6.424 -0.430 523 HE1 PHE 67 1HE PHE 67 3.667 10.947 1.637 524 HE2 PHE 67 2HE PHE 67 2.254 8.279 -1.432 525 HZ PHE 67 HZ PHE 67 2.210 10.495 -0.331 526 H GLU 68 H GLU 68 7.412 5.765 3.505 527 HA GLU 68 HA GLU 68 9.145 3.613 2.372 528 1HB GLU 68 2HB GLU 68 10.215 5.177 3.949 529 2HB GLU 68 3HB GLU 68 8.955 4.863 5.131 530 1HG GLU 68 2HG GLU 68 9.960 2.292 4.443 531 2HG GLU 68 3HG GLU 68 11.378 3.335 4.507 532 H ALA 69 H ALA 69 7.652 1.998 1.901 533 HA ALA 69 HA ALA 69 5.700 1.192 3.983 534 1HB ALA 69 1HB ALA 69 6.271 0.196 1.177 535 2HB ALA 69 2HB ALA 69 5.271 -0.712 2.342 536 3HB ALA 69 3HB ALA 69 4.775 0.895 1.837 537 H SER 70 H SER 70 5.947 -0.501 5.285 538 HA SER 70 HA SER 70 8.365 -2.234 5.149 539 1HB SER 70 2HB SER 70 8.842 -0.255 6.527 540 2HB SER 70 3HB SER 70 7.349 -0.516 7.453 541 HG SER 70 HG SER 70 8.325 -2.595 8.117 542 H LEU 71 H LEU 71 7.677 -4.317 5.496 543 HA LEU 71 HA LEU 71 5.063 -4.949 6.620 544 1HB LEU 71 2HB LEU 71 5.747 -7.180 6.661 545 2HB LEU 71 3HB LEU 71 6.390 -6.516 5.163 546 HG LEU 71 HG LEU 71 7.966 -7.085 7.728 547 1HD1 LEU 71 1HD1 LEU 71 7.206 -9.093 6.505 548 2HD1 LEU 71 2HD1 LEU 71 7.950 -8.469 5.015 549 3HD1 LEU 71 3HD1 LEU 71 8.964 -8.898 6.409 550 1HD2 LEU 71 1HD2 LEU 71 9.984 -6.730 6.264 551 2HD2 LEU 71 2HD2 LEU 71 8.922 -6.046 5.018 552 3HD2 LEU 71 3HD2 LEU 71 9.102 -5.248 6.606 553 H VAL 72 H VAL 72 4.848 -5.995 8.694 554 HA VAL 72 HA VAL 72 6.753 -5.552 10.840 555 HB VAL 72 HB VAL 72 5.996 -3.343 10.861 556 1HG1 VAL 72 1HG1 VAL 72 3.107 -4.275 10.506 557 2HG1 VAL 72 2HG1 VAL 72 3.639 -2.640 10.872 558 3HG1 VAL 72 3HG1 VAL 72 4.094 -3.381 9.334 559 1HG2 VAL 72 1HG2 VAL 72 5.856 -4.569 13.076 560 2HG2 VAL 72 2HG2 VAL 72 4.912 -3.078 12.959 561 3HG2 VAL 72 3HG2 VAL 72 4.101 -4.649 12.849 562 H LYS 73 H LYS 73 6.607 -7.682 11.295 563 HA LYS 73 HA LYS 73 4.224 -8.637 12.656 564 1HB LYS 73 2HB LYS 73 5.218 -10.174 10.183 565 2HB LYS 73 3HB LYS 73 4.257 -10.857 11.494 566 1HG LYS 73 2HG LYS 73 2.552 -10.393 10.080 567 2HG LYS 73 3HG LYS 73 2.605 -8.875 10.971 568 1HD LYS 73 2HD LYS 73 4.270 -8.149 8.999 569 2HD LYS 73 3HD LYS 73 3.659 -9.572 8.186 570 1HE LYS 73 2HE LYS 73 2.523 -7.516 7.475 571 2HE LYS 73 3HE LYS 73 1.373 -8.666 8.164 572 1HZ LYS 73 1HZ LYS 73 1.129 -7.341 10.045 573 2HZ LYS 73 2HZ LYS 73 2.515 -6.528 9.845 574 3HZ LYS 73 3HZ LYS 73 1.204 -6.214 8.895 575 H ILE 74 H ILE 74 7.134 -9.968 11.114 576 HA ILE 74 HA ILE 74 8.536 -10.159 13.682 577 HB ILE 74 HB ILE 74 9.039 -11.766 11.811 578 1HG1 ILE 74 2HG1 ILE 74 11.478 -11.570 11.801 579 2HG1 ILE 74 3HG1 ILE 74 11.390 -9.941 12.481 580 1HG2 ILE 74 1HG2 ILE 74 10.154 -9.360 10.307 581 2HG2 ILE 74 2HG2 ILE 74 10.232 -11.055 9.817 582 3HG2 ILE 74 3HG2 ILE 74 8.672 -10.235 9.871 583 1HD1 ILE 74 1HD1 ILE 74 10.233 -12.428 13.821 584 2HD1 ILE 74 2HD1 ILE 74 11.861 -11.788 14.142 585 3HD1 ILE 74 3HD1 ILE 74 10.442 -10.819 14.555 586 H GLU 75 H GLU 75 10.216 -8.533 14.125 587 HA GLU 75 HA GLU 75 10.853 -6.512 12.280 588 1HB GLU 75 2HB GLU 75 9.685 -5.686 14.997 589 2HB GLU 75 3HB GLU 75 10.718 -4.680 13.979 590 1HG GLU 75 2HG GLU 75 8.963 -5.011 12.110 591 2HG GLU 75 3HG GLU 75 7.902 -5.614 13.398 Start of MODEL 4 1 1H MET 1 H1 MET 1 -7.809 -12.612 -6.468 2 2H MET 1 H2 MET 1 -9.422 -12.308 -6.409 3 3H MET 1 H3 MET 1 -8.610 -12.733 -5.041 4 HA MET 1 HA MET 1 -9.769 -14.653 -5.675 5 1HB MET 1 2HB MET 1 -8.517 -14.166 -8.411 6 2HB MET 1 3HB MET 1 -9.269 -15.686 -7.905 7 1HG MET 1 2HG MET 1 -11.416 -14.509 -7.510 8 2HG MET 1 3HG MET 1 -10.673 -12.988 -8.021 9 1HE MET 1 1HE MET 1 -11.903 -16.531 -9.143 10 2HE MET 1 2HE MET 1 -11.595 -16.485 -10.893 11 3HE MET 1 3HE MET 1 -10.232 -16.587 -9.764 12 H GLY 2 H GLY 2 -8.519 -15.662 -4.107 13 1HA GLY 2 2HA GLY 2 -6.652 -16.510 -3.054 14 2HA GLY 2 1HA GLY 2 -5.886 -16.771 -4.636 15 H ASP 3 H ASP 3 -7.267 -13.716 -3.461 16 HA ASP 3 HA ASP 3 -5.015 -12.193 -4.239 17 1HB ASP 3 2HB ASP 3 -6.358 -10.378 -2.886 18 2HB ASP 3 3HB ASP 3 -6.923 -10.981 -4.440 19 H GLY 4 H GLY 4 -3.253 -11.688 -3.178 20 1HA GLY 4 2HA GLY 4 -2.607 -12.727 -0.539 21 2HA GLY 4 1HA GLY 4 -1.624 -11.671 -1.574 22 H VAL 5 H VAL 5 -3.727 -11.788 1.108 23 HA VAL 5 HA VAL 5 -4.175 -8.893 1.263 24 HB VAL 5 HB VAL 5 -5.874 -10.236 2.217 25 1HG1 VAL 5 1HG1 VAL 5 -4.699 -12.330 2.768 26 2HG1 VAL 5 2HG1 VAL 5 -3.835 -11.506 4.088 27 3HG1 VAL 5 3HG1 VAL 5 -5.592 -11.693 4.151 28 1HG2 VAL 5 1HG2 VAL 5 -5.174 -8.100 3.356 29 2HG2 VAL 5 2HG2 VAL 5 -6.024 -9.254 4.408 30 3HG2 VAL 5 3HG2 VAL 5 -4.265 -9.070 4.528 31 H LEU 6 H LEU 6 -2.615 -7.528 1.836 32 HA LEU 6 HA LEU 6 -0.296 -8.521 3.402 33 1HB LEU 6 2HB LEU 6 -0.225 -8.274 0.761 34 2HB LEU 6 3HB LEU 6 -0.028 -6.564 1.123 35 HG LEU 6 HG LEU 6 2.125 -7.379 0.881 36 1HD1 LEU 6 1HD1 LEU 6 1.820 -6.128 3.056 37 2HD1 LEU 6 2HD1 LEU 6 1.837 -7.691 3.898 38 3HD1 LEU 6 3HD1 LEU 6 3.254 -7.165 2.975 39 1HD2 LEU 6 1HD2 LEU 6 1.437 -9.817 2.577 40 2HD2 LEU 6 2HD2 LEU 6 1.613 -9.776 0.812 41 3HD2 LEU 6 3HD2 LEU 6 3.015 -9.461 1.848 42 H GLU 7 H GLU 7 -0.341 -7.444 5.240 43 HA GLU 7 HA GLU 7 -1.198 -4.616 5.427 44 1HB GLU 7 2HB GLU 7 -0.233 -6.630 7.486 45 2HB GLU 7 3HB GLU 7 -0.711 -4.964 7.839 46 1HG GLU 7 2HG GLU 7 -2.976 -5.372 6.984 47 2HG GLU 7 3HG GLU 7 -2.554 -7.035 6.559 48 H LEU 8 H LEU 8 0.312 -3.222 4.730 49 HA LEU 8 HA LEU 8 3.146 -3.654 5.522 50 1HB LEU 8 2HB LEU 8 1.982 -1.646 3.545 51 2HB LEU 8 3HB LEU 8 3.671 -1.821 3.993 52 HG LEU 8 HG LEU 8 3.223 -4.360 3.197 53 1HD1 LEU 8 1HD1 LEU 8 0.824 -3.898 2.531 54 2HD1 LEU 8 2HD1 LEU 8 1.411 -2.662 1.405 55 3HD1 LEU 8 3HD1 LEU 8 1.828 -4.366 1.152 56 1HD2 LEU 8 1HD2 LEU 8 4.999 -2.901 2.374 57 2HD2 LEU 8 2HD2 LEU 8 4.193 -3.755 1.045 58 3HD2 LEU 8 3HD2 LEU 8 3.836 -2.037 1.339 59 H VAL 9 H VAL 9 4.180 -2.007 6.673 60 HA VAL 9 HA VAL 9 2.543 0.151 7.850 61 HB VAL 9 HB VAL 9 5.174 -1.103 8.524 62 1HG1 VAL 9 1HG1 VAL 9 5.978 0.964 9.630 63 2HG1 VAL 9 2HG1 VAL 9 6.011 1.066 7.866 64 3HG1 VAL 9 3HG1 VAL 9 4.717 1.892 8.782 65 1HG2 VAL 9 1HG2 VAL 9 3.169 0.501 10.183 66 2HG2 VAL 9 2HG2 VAL 9 3.052 -1.242 9.909 67 3HG2 VAL 9 3HG2 VAL 9 4.445 -0.580 10.785 68 H VAL 10 H VAL 10 2.803 2.207 6.916 69 HA VAL 10 HA VAL 10 4.733 2.547 4.729 70 HB VAL 10 HB VAL 10 2.754 2.175 3.535 71 1HG1 VAL 10 1HG1 VAL 10 0.569 3.323 4.132 72 2HG1 VAL 10 2HG1 VAL 10 1.097 1.981 5.165 73 3HG1 VAL 10 3HG1 VAL 10 1.291 3.646 5.718 74 1HG2 VAL 10 1HG2 VAL 10 2.143 4.332 2.592 75 2HG2 VAL 10 2HG2 VAL 10 2.767 5.171 4.024 76 3HG2 VAL 10 3HG2 VAL 10 3.882 4.315 2.939 77 H ARG 11 H ARG 11 5.809 4.496 4.931 78 HA ARG 11 HA ARG 11 4.908 6.359 7.080 79 1HB ARG 11 2HB ARG 11 7.829 5.615 6.781 80 2HB ARG 11 3HB ARG 11 7.011 6.492 8.071 81 1HG ARG 11 2HG ARG 11 5.691 4.242 8.430 82 2HG ARG 11 3HG ARG 11 6.961 3.529 7.422 83 1HD ARG 11 2HD ARG 11 7.707 3.212 9.674 84 2HD ARG 11 3HD ARG 11 8.681 4.492 8.984 85 HE ARG 11 HE ARG 11 7.871 5.968 10.528 86 1HH1 ARG 11 2HH2 ARG 11 5.684 3.172 10.457 87 2HH1 ARG 11 1HH2 ARG 11 4.556 3.884 11.603 88 1HH2 ARG 11 2HH1 ARG 11 6.321 6.848 12.106 89 2HH2 ARG 11 1HH1 ARG 11 4.869 5.911 12.422 90 H GLY 12 H GLY 12 5.870 8.489 6.893 91 1HA GLY 12 2HA GLY 12 6.728 10.277 5.639 92 2HA GLY 12 1HA GLY 12 6.777 9.288 4.180 93 H MET 13 H MET 13 3.860 8.380 5.055 94 HA MET 13 HA MET 13 2.558 10.268 3.325 95 1HB MET 13 2HB MET 13 0.612 8.844 3.559 96 2HB MET 13 3HB MET 13 2.087 7.935 3.178 97 1HG MET 13 2HG MET 13 2.204 7.077 5.430 98 2HG MET 13 3HG MET 13 0.871 8.111 5.943 99 1HE MET 13 1HE MET 13 -0.754 6.476 6.939 100 2HE MET 13 2HE MET 13 -0.892 4.809 6.323 101 3HE MET 13 3HE MET 13 0.687 5.445 6.862 102 H THR 14 H THR 14 3.144 12.105 4.696 103 HA THR 14 HA THR 14 2.420 12.301 7.330 104 HB THR 14 HB THR 14 4.117 13.670 6.207 105 HG1 THR 14 1HG THR 14 2.148 14.843 7.833 106 1HG2 THR 14 1HG2 THR 14 3.516 15.770 5.106 107 2HG2 THR 14 2HG2 THR 14 2.846 14.400 4.205 108 3HG2 THR 14 3HG2 THR 14 1.789 15.394 5.232 109 H CYS 15 H CYS 15 -0.021 12.718 4.820 110 HA CYS 15 HA CYS 15 -1.923 13.564 6.868 111 1HB CYS 15 2HB CYS 15 -2.439 15.737 5.904 112 2HB CYS 15 3HB CYS 15 -0.728 15.684 6.269 113 H ALA 16 H ALA 16 -4.025 14.301 5.676 114 HA ALA 16 HA ALA 16 -5.244 12.178 4.387 115 1HB ALA 16 1HB ALA 16 -6.982 13.804 3.743 116 2HB ALA 16 2HB ALA 16 -6.457 14.035 5.422 117 3HB ALA 16 3HB ALA 16 -5.890 15.143 4.152 118 H SER 17 H SER 17 -3.632 15.038 2.923 119 HA SER 17 HA SER 17 -4.224 14.451 0.232 120 1HB SER 17 2HB SER 17 -1.843 16.005 1.269 121 2HB SER 17 3HB SER 17 -2.656 16.157 -0.296 122 HG SER 17 HG SER 17 -4.571 16.747 0.906 123 H CYS 18 H CYS 18 -1.878 13.001 2.408 124 HA CYS 18 HA CYS 18 -0.471 11.602 0.238 125 1HB CYS 18 2HB CYS 18 -0.327 11.122 3.205 126 2HB CYS 18 3HB CYS 18 0.620 10.382 1.920 127 H VAL 19 H VAL 19 -2.606 10.696 2.955 128 HA VAL 19 HA VAL 19 -3.127 8.088 2.414 129 HB VAL 19 HB VAL 19 -5.036 10.247 3.355 130 1HG1 VAL 19 1HG1 VAL 19 -6.542 8.537 2.599 131 2HG1 VAL 19 2HG1 VAL 19 -5.554 7.264 3.326 132 3HG1 VAL 19 3HG1 VAL 19 -6.420 8.418 4.352 133 1HG2 VAL 19 1HG2 VAL 19 -4.584 9.325 5.558 134 2HG2 VAL 19 2HG2 VAL 19 -3.539 8.065 4.864 135 3HG2 VAL 19 3HG2 VAL 19 -3.053 9.771 4.791 136 H HIS 20 H HIS 20 -5.289 10.661 1.082 137 HA HIS 20 HA HIS 20 -6.753 8.712 -0.392 138 1HB HIS 20 2HB HIS 20 -8.075 10.394 -1.205 139 2HB HIS 20 3HB HIS 20 -7.555 11.009 0.361 140 HD1 HIS 20 1HD HIS 20 -8.484 12.607 -2.468 141 HD2 HIS 20 2HD HIS 20 -4.706 12.297 -0.655 142 HE1 HIS 20 1HE HIS 20 -7.108 14.595 -3.288 143 H LYS 21 H LYS 21 -3.805 10.405 -1.152 144 HA LYS 21 HA LYS 21 -3.980 10.129 -4.046 145 1HB LYS 21 2HB LYS 21 -2.765 11.939 -2.954 146 2HB LYS 21 3HB LYS 21 -1.686 10.771 -2.168 147 1HG LYS 21 2HG LYS 21 -0.598 10.207 -4.218 148 2HG LYS 21 3HG LYS 21 -1.937 10.856 -5.164 149 1HD LYS 21 2HD LYS 21 -0.215 12.415 -5.423 150 2HD LYS 21 3HD LYS 21 -1.396 13.166 -4.359 151 1HE LYS 21 2HE LYS 21 1.322 11.988 -3.601 152 2HE LYS 21 3HE LYS 21 0.867 13.694 -3.656 153 1HZ LYS 21 1HZ LYS 21 -0.794 13.104 -1.839 154 2HZ LYS 21 2HZ LYS 21 -0.026 11.676 -1.742 155 3HZ LYS 21 3HZ LYS 21 0.798 13.053 -1.426 156 H ILE 22 H ILE 22 -2.366 8.489 -1.287 157 HA ILE 22 HA ILE 22 -1.075 6.435 -2.784 158 HB ILE 22 HB ILE 22 -2.168 6.394 0.058 159 1HG1 ILE 22 2HG1 ILE 22 0.706 6.693 -0.903 160 2HG1 ILE 22 3HG1 ILE 22 -0.342 8.085 -0.606 161 1HG2 ILE 22 1HG2 ILE 22 -0.332 4.459 -1.430 162 2HG2 ILE 22 2HG2 ILE 22 -0.517 4.479 0.331 163 3HG2 ILE 22 3HG2 ILE 22 -1.905 4.100 -0.683 164 1HD1 ILE 22 1HD1 ILE 22 -0.696 7.368 1.725 165 2HD1 ILE 22 2HD1 ILE 22 0.520 6.082 1.496 166 3HD1 ILE 22 3HD1 ILE 22 0.971 7.784 1.298 167 H GLU 23 H GLU 23 -4.276 6.366 -1.091 168 HA GLU 23 HA GLU 23 -4.974 3.826 -2.090 169 1HB GLU 23 2HB GLU 23 -6.736 6.138 -1.156 170 2HB GLU 23 3HB GLU 23 -7.319 4.498 -1.473 171 1HG GLU 23 2HG GLU 23 -5.608 3.618 0.151 172 2HG GLU 23 3HG GLU 23 -5.195 5.290 0.568 173 H SER 24 H SER 24 -5.974 7.038 -3.386 174 HA SER 24 HA SER 24 -7.458 6.085 -5.565 175 1HB SER 24 2HB SER 24 -7.404 8.443 -4.827 176 2HB SER 24 3HB SER 24 -5.739 8.599 -5.424 177 HG SER 24 HG SER 24 -8.009 7.920 -7.004 178 H SER 25 H SER 25 -3.898 6.577 -5.284 179 HA SER 25 HA SER 25 -3.436 6.204 -8.121 180 1HB SER 25 2HB SER 25 -1.898 7.466 -6.611 181 2HB SER 25 3HB SER 25 -1.468 5.938 -5.809 182 HG SER 25 HG SER 25 -0.023 6.516 -7.528 183 H LEU 26 H LEU 26 -3.071 4.190 -5.164 184 HA LEU 26 HA LEU 26 -2.264 1.825 -6.349 185 1HB LEU 26 2HB LEU 26 -3.936 2.504 -3.934 186 2HB LEU 26 3HB LEU 26 -3.743 0.835 -4.390 187 HG LEU 26 HG LEU 26 -1.401 2.691 -3.857 188 1HD1 LEU 26 1HD1 LEU 26 -2.863 2.368 -1.850 189 2HD1 LEU 26 2HD1 LEU 26 -2.672 0.616 -2.019 190 3HD1 LEU 26 3HD1 LEU 26 -1.262 1.631 -1.648 191 1HD2 LEU 26 1HD2 LEU 26 -0.749 0.720 -5.212 192 2HD2 LEU 26 2HD2 LEU 26 -0.130 0.573 -3.567 193 3HD2 LEU 26 3HD2 LEU 26 -1.565 -0.350 -4.050 194 H THR 27 H THR 27 -5.688 2.886 -5.822 195 HA THR 27 HA THR 27 -6.806 0.580 -7.005 196 HB THR 27 HB THR 27 -8.856 1.907 -7.308 197 HG1 THR 27 1HG THR 27 -7.095 4.017 -7.018 198 1HG2 THR 27 1HG2 THR 27 -8.406 0.840 -5.178 199 2HG2 THR 27 2HG2 THR 27 -7.484 2.250 -4.624 200 3HG2 THR 27 3HG2 THR 27 -9.220 2.400 -4.941 201 H LYS 28 H LYS 28 -4.985 2.976 -8.721 202 HA LYS 28 HA LYS 28 -6.328 2.606 -11.234 203 1HB LYS 28 2HB LYS 28 -4.709 3.817 -12.185 204 2HB LYS 28 3HB LYS 28 -4.763 4.503 -10.566 205 1HG LYS 28 2HG LYS 28 -2.491 4.278 -10.551 206 2HG LYS 28 3HG LYS 28 -2.750 2.563 -10.382 207 1HD LYS 28 2HD LYS 28 -1.354 2.620 -12.227 208 2HD LYS 28 3HD LYS 28 -2.913 2.561 -13.036 209 1HE LYS 28 2HE LYS 28 -1.116 4.992 -12.493 210 2HE LYS 28 3HE LYS 28 -1.431 4.247 -14.065 211 1HZ LYS 28 1HZ LYS 28 -3.425 5.633 -12.400 212 2HZ LYS 28 2HZ LYS 28 -2.699 6.259 -13.738 213 3HZ LYS 28 3HZ LYS 28 -3.714 4.970 -13.878 214 H HIS 29 H HIS 29 -4.064 0.605 -9.408 215 HA HIS 29 HA HIS 29 -3.406 -1.001 -11.834 216 1HB HIS 29 2HB HIS 29 -2.495 -1.817 -9.098 217 2HB HIS 29 3HB HIS 29 -1.723 -2.017 -10.655 218 HD1 HIS 29 1HD HIS 29 -0.445 0.408 -11.509 219 HD2 HIS 29 2HD HIS 29 -1.803 0.020 -7.561 220 HE1 HIS 29 1HE HIS 29 0.636 2.308 -10.147 221 H ARG 30 H ARG 30 -5.311 -2.191 -12.342 222 HA ARG 30 HA ARG 30 -7.095 -3.295 -10.469 223 1HB ARG 30 2HB ARG 30 -7.623 -3.327 -12.803 224 2HB ARG 30 3HB ARG 30 -6.203 -4.290 -13.220 225 1HG ARG 30 2HG ARG 30 -8.267 -5.468 -11.339 226 2HG ARG 30 3HG ARG 30 -8.635 -5.360 -13.058 227 1HD ARG 30 2HD ARG 30 -6.770 -6.669 -13.719 228 2HD ARG 30 3HD ARG 30 -6.042 -6.676 -12.130 229 HE ARG 30 HE ARG 30 -8.229 -8.338 -13.117 230 1HH1 ARG 30 2HH2 ARG 30 -6.791 -7.133 -10.039 231 2HH1 ARG 30 1HH2 ARG 30 -6.914 -8.744 -9.322 232 1HH2 ARG 30 2HH1 ARG 30 -8.390 -10.414 -11.922 233 2HH2 ARG 30 1HH1 ARG 30 -7.782 -10.386 -10.261 234 H GLY 31 H GLY 31 -3.813 -4.323 -11.135 235 1HA GLY 31 2HA GLY 31 -3.797 -6.909 -10.092 236 2HA GLY 31 1HA GLY 31 -2.478 -5.731 -9.908 237 H ILE 32 H ILE 32 -4.094 -3.778 -8.266 238 HA ILE 32 HA ILE 32 -4.061 -5.304 -5.757 239 HB ILE 32 HB ILE 32 -3.979 -3.380 -4.587 240 1HG1 ILE 32 2HG1 ILE 32 -3.729 -1.092 -5.743 241 2HG1 ILE 32 3HG1 ILE 32 -4.755 -1.778 -6.999 242 1HG2 ILE 32 1HG2 ILE 32 -1.897 -2.390 -5.248 243 2HG2 ILE 32 2HG2 ILE 32 -1.895 -4.120 -5.581 244 3HG2 ILE 32 3HG2 ILE 32 -2.110 -2.954 -6.913 245 1HD1 ILE 32 1HD1 ILE 32 -5.425 -1.725 -4.028 246 2HD1 ILE 32 2HD1 ILE 32 -5.982 -0.530 -5.208 247 3HD1 ILE 32 3HD1 ILE 32 -6.510 -2.211 -5.348 248 H LEU 33 H LEU 33 -5.918 -6.029 -4.987 249 HA LEU 33 HA LEU 33 -8.392 -5.653 -6.503 250 1HB LEU 33 2HB LEU 33 -7.678 -7.892 -5.748 251 2HB LEU 33 3HB LEU 33 -7.662 -7.337 -4.070 252 HG LEU 33 HG LEU 33 -10.111 -6.964 -4.149 253 1HD1 LEU 33 1HD1 LEU 33 -11.399 -7.942 -6.073 254 2HD1 LEU 33 2HD1 LEU 33 -10.478 -6.511 -6.540 255 3HD1 LEU 33 3HD1 LEU 33 -9.877 -8.130 -6.968 256 1HD2 LEU 33 1HD2 LEU 33 -9.185 -9.091 -3.373 257 2HD2 LEU 33 2HD2 LEU 33 -10.735 -9.348 -4.194 258 3HD2 LEU 33 3HD2 LEU 33 -9.214 -9.736 -5.030 259 H TYR 34 H TYR 34 -6.928 -4.798 -3.336 260 HA TYR 34 HA TYR 34 -8.942 -2.687 -3.008 261 1HB TYR 34 2HB TYR 34 -9.981 -4.710 -1.939 262 2HB TYR 34 3HB TYR 34 -8.541 -4.878 -0.930 263 HD1 TYR 34 HD1 TYR 34 -8.712 -4.088 1.264 264 HD2 TYR 34 HD2 TYR 34 -11.071 -2.222 -1.833 265 HE1 TYR 34 HE1 TYR 34 -9.829 -2.689 2.957 266 HE2 TYR 34 HE2 TYR 34 -12.115 -0.745 -0.134 267 HH TYR 34 HH TYR 34 -11.427 -1.059 3.355 268 H CYS 35 H CYS 35 -8.298 -1.123 -1.426 269 HA CYS 35 HA CYS 35 -5.680 -1.428 -0.102 270 1HB CYS 35 2HB CYS 35 -4.918 0.738 -0.680 271 2HB CYS 35 3HB CYS 35 -5.222 -0.142 -2.191 272 HG CYS 35 HG CYS 35 -7.602 0.860 -2.578 273 H SER 36 H SER 36 -5.641 -0.522 1.869 274 HA SER 36 HA SER 36 -7.589 1.506 2.714 275 1HB SER 36 2HB SER 36 -8.879 -0.378 3.297 276 2HB SER 36 3HB SER 36 -7.480 -1.273 3.909 277 HG SER 36 HG SER 36 -8.659 1.068 5.022 278 H VAL 37 H VAL 37 -5.930 2.949 3.103 279 HA VAL 37 HA VAL 37 -3.653 2.040 4.790 280 HB VAL 37 HB VAL 37 -2.454 4.004 4.178 281 1HG1 VAL 37 1HG1 VAL 37 -2.539 2.166 2.465 282 2HG1 VAL 37 2HG1 VAL 37 -3.834 3.055 1.639 283 3HG1 VAL 37 3HG1 VAL 37 -2.230 3.786 1.812 284 1HG2 VAL 37 1HG2 VAL 37 -3.434 5.703 2.650 285 2HG2 VAL 37 2HG2 VAL 37 -5.014 4.939 2.886 286 3HG2 VAL 37 3HG2 VAL 37 -4.176 5.681 4.265 287 H ALA 38 H ALA 38 -2.952 3.567 6.550 288 HA ALA 38 HA ALA 38 -4.979 5.456 7.439 289 1HB ALA 38 1HB ALA 38 -5.149 4.638 9.756 290 2HB ALA 38 2HB ALA 38 -5.880 3.487 8.615 291 3HB ALA 38 3HB ALA 38 -4.261 3.183 9.321 292 H LEU 39 H LEU 39 -3.961 7.154 8.174 293 HA LEU 39 HA LEU 39 -1.286 7.501 9.037 294 1HB LEU 39 2HB LEU 39 -3.833 8.861 10.031 295 2HB LEU 39 3HB LEU 39 -2.185 9.451 10.259 296 HG LEU 39 HG LEU 39 -3.597 9.146 7.576 297 1HD1 LEU 39 1HD1 LEU 39 -4.582 10.919 8.984 298 2HD1 LEU 39 2HD1 LEU 39 -2.972 11.640 9.207 299 3HD1 LEU 39 3HD1 LEU 39 -3.717 11.598 7.595 300 1HD2 LEU 39 1HD2 LEU 39 -1.704 10.548 6.730 301 2HD2 LEU 39 2HD2 LEU 39 -0.900 10.383 8.302 302 3HD2 LEU 39 3HD2 LEU 39 -1.171 8.955 7.276 303 H ALA 40 H ALA 40 -4.288 6.643 10.820 304 HA ALA 40 HA ALA 40 -3.378 6.832 13.396 305 1HB ALA 40 1HB ALA 40 -5.147 5.225 14.005 306 2HB ALA 40 2HB ALA 40 -5.716 6.386 12.791 307 3HB ALA 40 3HB ALA 40 -5.301 4.727 12.307 308 H THR 41 H THR 41 -3.266 3.783 11.459 309 HA THR 41 HA THR 41 -1.452 2.547 13.416 310 HB THR 41 HB THR 41 -1.934 0.832 11.271 311 HG1 THR 41 1HG THR 41 -4.358 2.051 12.096 312 1HG2 THR 41 1HG2 THR 41 -1.827 0.147 13.578 313 2HG2 THR 41 2HG2 THR 41 -3.359 0.984 13.934 314 3HG2 THR 41 3HG2 THR 41 -3.328 -0.404 12.814 315 H ASN 42 H ASN 42 -1.004 4.622 10.843 316 HA ASN 42 HA ASN 42 0.468 4.931 9.139 317 1HB ASN 42 2HB ASN 42 2.502 3.289 10.651 318 2HB ASN 42 3HB ASN 42 2.746 4.612 9.493 319 1HD2 ASN 42 1HD2 ASN 42 0.573 6.229 11.043 320 2HD2 ASN 42 2HD2 ASN 42 1.397 6.754 12.454 321 H LYS 43 H LYS 43 -1.298 2.885 8.596 322 HA LYS 43 HA LYS 43 0.409 0.599 7.698 323 1HB LYS 43 2HB LYS 43 -1.314 -0.974 8.167 324 2HB LYS 43 3HB LYS 43 -0.882 -0.070 9.596 325 1HG LYS 43 2HG LYS 43 -3.203 -0.234 9.699 326 2HG LYS 43 3HG LYS 43 -2.945 1.411 9.090 327 1HD LYS 43 2HD LYS 43 -3.599 0.700 6.840 328 2HD LYS 43 3HD LYS 43 -3.609 -1.007 7.355 329 1HE LYS 43 2HE LYS 43 -5.468 -0.345 8.989 330 2HE LYS 43 3HE LYS 43 -5.429 1.262 8.269 331 1HZ LYS 43 1HZ LYS 43 -6.192 -1.251 6.929 332 2HZ LYS 43 2HZ LYS 43 -7.126 0.087 7.110 333 3HZ LYS 43 3HZ LYS 43 -5.870 0.108 6.087 334 H ALA 44 H ALA 44 -0.582 -0.722 6.107 335 HA ALA 44 HA ALA 44 -2.512 0.441 4.214 336 1HB ALA 44 1HB ALA 44 -0.458 1.420 3.448 337 2HB ALA 44 2HB ALA 44 0.340 -0.170 3.432 338 3HB ALA 44 3HB ALA 44 -1.016 0.164 2.330 339 H HIS 45 H HIS 45 -3.885 -1.142 4.572 340 HA HIS 45 HA HIS 45 -3.168 -4.037 4.162 341 1HB HIS 45 2HB HIS 45 -4.790 -3.396 5.916 342 2HB HIS 45 3HB HIS 45 -5.774 -2.578 4.701 343 HD1 HIS 45 1HD HIS 45 -5.890 -5.639 6.514 344 HD2 HIS 45 2HD HIS 45 -6.302 -4.526 2.474 345 HE1 HIS 45 1HE HIS 45 -7.405 -7.378 5.424 346 H ILE 46 H ILE 46 -2.545 -4.293 2.128 347 HA ILE 46 HA ILE 46 -4.395 -3.302 0.004 348 HB ILE 46 HB ILE 46 -1.487 -4.176 -0.196 349 1HG1 ILE 46 2HG1 ILE 46 -1.270 -2.092 -1.528 350 2HG1 ILE 46 3HG1 ILE 46 -2.969 -1.701 -1.231 351 1HG2 ILE 46 1HG2 ILE 46 -2.714 -5.326 -1.982 352 2HG2 ILE 46 2HG2 ILE 46 -3.567 -3.831 -2.395 353 3HG2 ILE 46 3HG2 ILE 46 -1.827 -3.978 -2.683 354 1HD1 ILE 46 1HD1 ILE 46 -1.215 -0.509 0.164 355 2HD1 ILE 46 2HD1 ILE 46 -2.532 -1.259 1.077 356 3HD1 ILE 46 3HD1 ILE 46 -0.935 -2.053 1.003 357 H LYS 47 H LYS 47 -5.371 -4.927 -1.182 358 HA LYS 47 HA LYS 47 -4.584 -7.750 -0.605 359 1HB LYS 47 2HB LYS 47 -7.316 -6.684 -1.332 360 2HB LYS 47 3HB LYS 47 -6.817 -8.392 -1.342 361 1HG LYS 47 2HG LYS 47 -6.151 -7.668 1.216 362 2HG LYS 47 3HG LYS 47 -7.528 -6.602 0.949 363 1HD LYS 47 2HD LYS 47 -7.468 -9.624 0.495 364 2HD LYS 47 3HD LYS 47 -8.145 -8.836 1.932 365 1HE LYS 47 2HE LYS 47 -9.962 -7.881 0.697 366 2HE LYS 47 3HE LYS 47 -9.176 -8.168 -0.863 367 1HZ LYS 47 1HZ LYS 47 -9.421 -10.467 -0.613 368 2HZ LYS 47 2HZ LYS 47 -10.146 -10.335 0.860 369 3HZ LYS 47 3HZ LYS 47 -10.887 -9.762 -0.502 370 H TYR 48 H TYR 48 -3.661 -8.619 -2.450 371 HA TYR 48 HA TYR 48 -4.358 -7.369 -5.061 372 1HB TYR 48 2HB TYR 48 -2.053 -7.158 -5.665 373 2HB TYR 48 3HB TYR 48 -2.326 -6.250 -4.191 374 HD1 TYR 48 HD1 TYR 48 -1.162 -6.873 -2.101 375 HD2 TYR 48 HD2 TYR 48 -0.713 -9.228 -5.681 376 HE1 TYR 48 HE1 TYR 48 0.835 -7.973 -1.149 377 HE2 TYR 48 HE2 TYR 48 1.163 -10.459 -4.623 378 HH TYR 48 HH TYR 48 2.249 -10.888 -2.620 379 H ASP 49 H ASP 49 -4.141 -8.652 -6.884 380 HA ASP 49 HA ASP 49 -4.283 -11.543 -6.337 381 1HB ASP 49 2HB ASP 49 -4.560 -9.899 -8.863 382 2HB ASP 49 3HB ASP 49 -4.464 -11.664 -8.868 383 HA PRO 50 HA PRO 50 0.155 -11.333 -6.486 384 1HB PRO 50 2HB PRO 50 0.824 -13.791 -5.567 385 2HB PRO 50 3HB PRO 50 -0.155 -12.676 -4.576 386 1HG PRO 50 2HG PRO 50 -1.206 -14.875 -6.390 387 2HG PRO 50 3HG PRO 50 -1.551 -14.649 -4.647 388 1HD PRO 50 2HD PRO 50 -3.217 -13.653 -6.561 389 2HD PRO 50 3HD PRO 50 -2.863 -12.746 -5.060 390 H GLU 51 H GLU 51 -0.583 -11.242 -8.915 391 HA GLU 51 HA GLU 51 1.281 -12.947 -10.455 392 1HB GLU 51 2HB GLU 51 -1.648 -12.536 -11.265 393 2HB GLU 51 3HB GLU 51 -0.396 -13.343 -12.212 394 1HG GLU 51 2HG GLU 51 -0.236 -15.097 -10.441 395 2HG GLU 51 3HG GLU 51 -1.557 -14.303 -9.560 396 H ILE 52 H ILE 52 -1.248 -10.435 -10.593 397 HA ILE 52 HA ILE 52 -0.082 -9.048 -12.810 398 HB ILE 52 HB ILE 52 -2.263 -8.282 -10.851 399 1HG1 ILE 52 2HG1 ILE 52 -2.433 -9.575 -13.610 400 2HG1 ILE 52 3HG1 ILE 52 -2.697 -10.406 -12.072 401 1HG2 ILE 52 1HG2 ILE 52 -1.629 -7.151 -13.623 402 2HG2 ILE 52 2HG2 ILE 52 -3.030 -6.700 -12.633 403 3HG2 ILE 52 3HG2 ILE 52 -1.417 -6.285 -12.089 404 1HD1 ILE 52 1HD1 ILE 52 -4.836 -9.961 -12.942 405 2HD1 ILE 52 2HD1 ILE 52 -4.594 -8.850 -11.581 406 3HD1 ILE 52 3HD1 ILE 52 -4.467 -8.264 -13.263 407 H ILE 53 H ILE 53 0.207 -8.665 -9.246 408 HA ILE 53 HA ILE 53 2.307 -6.717 -9.693 409 HB ILE 53 HB ILE 53 -0.006 -5.483 -9.471 410 1HG1 ILE 53 2HG1 ILE 53 2.165 -4.709 -7.522 411 2HG1 ILE 53 3HG1 ILE 53 2.298 -4.484 -9.282 412 1HG2 ILE 53 1HG2 ILE 53 -0.740 -6.897 -7.504 413 2HG2 ILE 53 2HG2 ILE 53 0.450 -6.004 -6.510 414 3HG2 ILE 53 3HG2 ILE 53 -0.890 -5.151 -7.299 415 1HD1 ILE 53 1HD1 ILE 53 1.603 -2.402 -8.284 416 2HD1 ILE 53 2HD1 ILE 53 0.236 -3.060 -9.206 417 3HD1 ILE 53 3HD1 ILE 53 0.265 -3.178 -7.428 418 H GLY 54 H GLY 54 3.879 -7.011 -8.186 419 1HA GLY 54 2HA GLY 54 3.503 -9.102 -6.134 420 2HA GLY 54 1HA GLY 54 5.014 -8.363 -6.686 421 HA PRO 55 HA PRO 55 3.548 -6.370 -2.610 422 1HB PRO 55 2HB PRO 55 5.397 -7.456 -0.904 423 2HB PRO 55 3HB PRO 55 3.814 -8.202 -1.248 424 1HG PRO 55 2HG PRO 55 6.489 -8.921 -2.448 425 2HG PRO 55 3HG PRO 55 5.216 -10.014 -1.846 426 1HD PRO 55 2HD PRO 55 5.529 -9.404 -4.510 427 2HD PRO 55 3HD PRO 55 3.931 -9.744 -3.806 428 H ARG 56 H ARG 56 6.798 -7.292 -3.828 429 HA ARG 56 HA ARG 56 8.202 -4.954 -3.052 430 1HB ARG 56 2HB ARG 56 9.269 -7.018 -3.969 431 2HB ARG 56 3HB ARG 56 8.621 -6.611 -5.576 432 1HG ARG 56 2HG ARG 56 9.855 -4.451 -5.521 433 2HG ARG 56 3HG ARG 56 10.456 -4.835 -3.896 434 1HD ARG 56 2HD ARG 56 11.650 -6.799 -4.829 435 2HD ARG 56 3HD ARG 56 11.019 -6.389 -6.450 436 HE ARG 56 HE ARG 56 12.291 -4.097 -5.358 437 1HH1 ARG 56 2HH2 ARG 56 13.127 -7.271 -6.610 438 2HH1 ARG 56 1HH2 ARG 56 14.725 -6.840 -7.141 439 1HH2 ARG 56 2HH1 ARG 56 14.399 -3.457 -6.038 440 2HH2 ARG 56 1HH1 ARG 56 15.463 -4.592 -6.803 441 H ASP 57 H ASP 57 6.203 -5.601 -5.969 442 HA ASP 57 HA ASP 57 6.832 -3.160 -7.246 443 1HB ASP 57 2HB ASP 57 4.285 -4.773 -7.461 444 2HB ASP 57 3HB ASP 57 4.878 -3.596 -8.642 445 H ILE 58 H ILE 58 4.083 -4.080 -5.114 446 HA ILE 58 HA ILE 58 2.809 -1.550 -4.966 447 HB ILE 58 HB ILE 58 3.075 -3.821 -2.977 448 1HG1 ILE 58 2HG1 ILE 58 0.567 -2.846 -4.364 449 2HG1 ILE 58 3HG1 ILE 58 1.714 -3.859 -5.252 450 1HG2 ILE 58 1HG2 ILE 58 2.709 -1.853 -1.585 451 2HG2 ILE 58 2HG2 ILE 58 1.431 -1.273 -2.675 452 3HG2 ILE 58 3HG2 ILE 58 1.195 -2.739 -1.705 453 1HD1 ILE 58 1HD1 ILE 58 -0.064 -5.194 -4.215 454 2HD1 ILE 58 2HD1 ILE 58 1.547 -5.640 -3.630 455 3HD1 ILE 58 3HD1 ILE 58 0.468 -4.675 -2.602 456 H ILE 59 H ILE 59 5.451 -2.842 -2.857 457 HA ILE 59 HA ILE 59 5.807 -0.503 -1.312 458 HB ILE 59 HB ILE 59 7.686 -2.724 -2.160 459 1HG1 ILE 59 2HG1 ILE 59 6.556 -2.101 0.592 460 2HG1 ILE 59 3HG1 ILE 59 5.617 -3.018 -0.594 461 1HG2 ILE 59 1HG2 ILE 59 8.210 -0.429 -0.241 462 2HG2 ILE 59 2HG2 ILE 59 9.192 -1.910 -0.325 463 3HG2 ILE 59 3HG2 ILE 59 9.113 -0.837 -1.720 464 1HD1 ILE 59 1HD1 ILE 59 6.772 -4.557 0.874 465 2HD1 ILE 59 2HD1 ILE 59 7.380 -4.696 -0.786 466 3HD1 ILE 59 3HD1 ILE 59 8.345 -3.854 0.452 467 H HIS 60 H HIS 60 7.527 -1.430 -4.332 468 HA HIS 60 HA HIS 60 8.970 0.973 -4.619 469 1HB HIS 60 2HB HIS 60 9.865 -0.449 -6.085 470 2HB HIS 60 3HB HIS 60 8.388 -1.387 -6.254 471 HD1 HIS 60 1HD HIS 60 9.846 1.869 -7.770 472 HD2 HIS 60 2HD HIS 60 6.885 -1.061 -8.279 473 HE1 HIS 60 1HE HIS 60 8.748 2.341 -10.027 474 H THR 61 H THR 61 5.561 0.280 -5.413 475 HA THR 61 HA THR 61 5.208 2.677 -6.999 476 HB THR 61 HB THR 61 3.124 1.133 -5.397 477 HG1 THR 61 1HG THR 61 4.311 -0.103 -6.984 478 1HG2 THR 61 1HG2 THR 61 1.554 2.071 -7.000 479 2HG2 THR 61 2HG2 THR 61 2.354 3.374 -6.116 480 3HG2 THR 61 3HG2 THR 61 2.850 3.000 -7.784 481 H ILE 62 H ILE 62 4.704 1.830 -3.558 482 HA ILE 62 HA ILE 62 3.911 4.396 -2.625 483 HB ILE 62 HB ILE 62 5.195 1.983 -1.325 484 1HG1 ILE 62 2HG1 ILE 62 2.418 3.170 -0.998 485 2HG1 ILE 62 3HG1 ILE 62 2.795 1.970 -2.241 486 1HG2 ILE 62 1HG2 ILE 62 4.109 4.445 0.084 487 2HG2 ILE 62 2HG2 ILE 62 4.671 2.972 0.865 488 3HG2 ILE 62 3HG2 ILE 62 5.841 3.971 0.025 489 1HD1 ILE 62 1HD1 ILE 62 2.974 1.538 0.763 490 2HD1 ILE 62 2HD1 ILE 62 1.839 0.813 -0.383 491 3HD1 ILE 62 3HD1 ILE 62 3.559 0.387 -0.463 492 H GLU 63 H GLU 63 7.212 2.995 -3.050 493 HA GLU 63 HA GLU 63 8.671 5.304 -2.209 494 1HB GLU 63 2HB GLU 63 9.382 3.328 -4.413 495 2HB GLU 63 3HB GLU 63 10.460 4.505 -3.685 496 1HG GLU 63 2HG GLU 63 10.344 3.405 -1.529 497 2HG GLU 63 3HG GLU 63 9.127 2.263 -2.111 498 H SER 64 H SER 64 7.520 4.387 -5.453 499 HA SER 64 HA SER 64 8.495 6.629 -6.829 500 1HB SER 64 2HB SER 64 6.052 4.955 -7.532 501 2HB SER 64 3HB SER 64 6.960 6.017 -8.621 502 HG SER 64 HG SER 64 7.938 3.702 -7.292 503 H LEU 65 H LEU 65 5.467 6.320 -4.952 504 HA LEU 65 HA LEU 65 4.517 8.971 -5.715 505 1HB LEU 65 2HB LEU 65 3.905 7.100 -3.415 506 2HB LEU 65 3HB LEU 65 3.400 8.796 -3.390 507 HG LEU 65 HG LEU 65 2.230 8.504 -5.566 508 1HD1 LEU 65 1HD1 LEU 65 1.637 6.215 -6.292 509 2HD1 LEU 65 2HD1 LEU 65 3.377 6.463 -6.432 510 3HD1 LEU 65 3HD1 LEU 65 2.708 5.540 -5.060 511 1HD2 LEU 65 1HD2 LEU 65 1.387 6.676 -3.289 512 2HD2 LEU 65 2HD2 LEU 65 1.045 8.419 -3.410 513 3HD2 LEU 65 3HD2 LEU 65 0.319 7.296 -4.570 514 H GLY 66 H GLY 66 5.565 8.297 -2.339 515 1HA GLY 66 2HA GLY 66 7.968 9.845 -2.664 516 2HA GLY 66 1HA GLY 66 6.713 10.817 -1.874 517 H PHE 67 H PHE 67 7.020 7.250 -1.354 518 HA PHE 67 HA PHE 67 7.289 8.001 1.551 519 1HB PHE 67 2HB PHE 67 5.353 6.176 0.175 520 2HB PHE 67 3HB PHE 67 5.328 6.559 1.894 521 HD1 PHE 67 1HD PHE 67 3.426 7.021 -0.838 522 HD2 PHE 67 2HD PHE 67 5.624 9.493 1.938 523 HE1 PHE 67 1HE PHE 67 1.852 8.890 -1.230 524 HE2 PHE 67 2HE PHE 67 4.037 11.340 1.550 525 HZ PHE 67 HZ PHE 67 2.074 10.991 0.085 526 H GLU 68 H GLU 68 7.161 5.934 2.899 527 HA GLU 68 HA GLU 68 9.262 3.990 1.996 528 1HB GLU 68 2HB GLU 68 9.966 5.543 3.842 529 2HB GLU 68 3HB GLU 68 8.498 5.116 4.719 530 1HG GLU 68 2HG GLU 68 9.411 2.682 4.741 531 2HG GLU 68 3HG GLU 68 10.947 3.407 4.235 532 H ALA 69 H ALA 69 8.693 1.738 2.550 533 HA ALA 69 HA ALA 69 6.541 1.297 4.328 534 1HB ALA 69 1HB ALA 69 5.169 -0.177 2.745 535 2HB ALA 69 2HB ALA 69 5.048 1.553 2.449 536 3HB ALA 69 3HB ALA 69 6.079 0.545 1.401 537 H SER 70 H SER 70 6.186 -0.946 4.836 538 HA SER 70 HA SER 70 8.094 -2.962 3.878 539 1HB SER 70 2HB SER 70 9.410 -1.945 5.693 540 2HB SER 70 3HB SER 70 8.007 -1.968 6.779 541 HG SER 70 HG SER 70 8.103 -4.202 6.857 542 H LEU 71 H LEU 71 7.190 -5.070 4.352 543 HA LEU 71 HA LEU 71 4.418 -5.319 5.042 544 1HB LEU 71 2HB LEU 71 4.727 -7.596 5.218 545 2HB LEU 71 3HB LEU 71 5.718 -7.071 3.861 546 HG LEU 71 HG LEU 71 6.744 -7.785 6.661 547 1HD1 LEU 71 1HD1 LEU 71 5.816 -9.711 5.439 548 2HD1 LEU 71 2HD1 LEU 71 6.849 -9.332 4.043 549 3HD1 LEU 71 3HD1 LEU 71 7.577 -9.827 5.586 550 1HD2 LEU 71 1HD2 LEU 71 8.980 -7.877 5.512 551 2HD2 LEU 71 2HD2 LEU 71 8.245 -7.126 4.082 552 3HD2 LEU 71 3HD2 LEU 71 8.331 -6.247 5.628 553 H VAL 72 H VAL 72 3.451 -5.721 7.122 554 HA VAL 72 HA VAL 72 5.287 -5.479 9.464 555 HB VAL 72 HB VAL 72 4.141 -3.339 9.050 556 1HG1 VAL 72 1HG1 VAL 72 1.969 -4.154 8.153 557 2HG1 VAL 72 2HG1 VAL 72 1.551 -4.803 9.754 558 3HG1 VAL 72 3HG1 VAL 72 1.752 -3.068 9.523 559 1HG2 VAL 72 1HG2 VAL 72 3.329 -4.792 11.603 560 2HG2 VAL 72 2HG2 VAL 72 4.892 -4.009 11.286 561 3HG2 VAL 72 3HG2 VAL 72 3.417 -3.040 11.389 562 H LYS 73 H LYS 73 5.032 -6.981 10.977 563 HA LYS 73 HA LYS 73 2.623 -8.198 11.692 564 1HB LYS 73 2HB LYS 73 3.034 -9.466 9.420 565 2HB LYS 73 3HB LYS 73 4.428 -10.158 10.223 566 1HG LYS 73 2HG LYS 73 2.981 -11.777 10.781 567 2HG LYS 73 3HG LYS 73 2.535 -10.723 12.112 568 1HD LYS 73 2HD LYS 73 1.096 -11.038 9.422 569 2HD LYS 73 3HD LYS 73 0.611 -11.680 10.982 570 1HE LYS 73 2HE LYS 73 -0.807 -9.903 10.828 571 2HE LYS 73 3HE LYS 73 0.482 -9.187 11.793 572 1HZ LYS 73 1HZ LYS 73 1.222 -8.043 9.768 573 2HZ LYS 73 2HZ LYS 73 0.161 -8.905 8.858 574 3HZ LYS 73 3HZ LYS 73 -0.418 -7.847 9.909 575 H ILE 74 H ILE 74 6.133 -8.844 11.340 576 HA ILE 74 HA ILE 74 6.363 -9.824 14.107 577 HB ILE 74 HB ILE 74 8.477 -9.258 11.989 578 1HG1 ILE 74 2HG1 ILE 74 7.172 -11.885 12.844 579 2HG1 ILE 74 3HG1 ILE 74 6.908 -11.053 11.305 580 1HG2 ILE 74 1HG2 ILE 74 8.666 -10.817 14.609 581 2HG2 ILE 74 2HG2 ILE 74 9.984 -10.531 13.450 582 3HG2 ILE 74 3HG2 ILE 74 9.315 -9.185 14.357 583 1HD1 ILE 74 1HD1 ILE 74 9.497 -12.342 12.223 584 2HD1 ILE 74 2HD1 ILE 74 8.445 -12.813 10.884 585 3HD1 ILE 74 3HD1 ILE 74 9.354 -11.292 10.790 586 H GLU 75 H GLU 75 6.104 -8.230 15.647 587 HA GLU 75 HA GLU 75 7.873 -5.963 15.684 588 1HB GLU 75 2HB GLU 75 4.835 -5.681 15.983 589 2HB GLU 75 3HB GLU 75 6.039 -4.448 16.379 590 1HG GLU 75 2HG GLU 75 6.743 -4.404 13.971 591 2HG GLU 75 3HG GLU 75 5.442 -5.550 13.596 Start of MODEL 5 1 1H MET 1 H1 MET 1 -7.141 -19.268 -2.506 2 2H MET 1 H2 MET 1 -6.652 -20.459 -1.426 3 3H MET 1 H3 MET 1 -6.233 -18.868 -1.238 4 HA MET 1 HA MET 1 -4.313 -19.768 -2.102 5 1HB MET 1 2HB MET 1 -6.167 -21.147 -4.081 6 2HB MET 1 3HB MET 1 -4.427 -20.952 -4.351 7 1HG MET 1 2HG MET 1 -3.930 -22.112 -2.236 8 2HG MET 1 3HG MET 1 -5.659 -22.385 -1.965 9 1HE MET 1 1HE MET 1 -5.080 -24.935 -1.552 10 2HE MET 1 2HE MET 1 -4.204 -25.941 -2.730 11 3HE MET 1 3HE MET 1 -3.360 -24.615 -1.897 12 H GLY 2 H GLY 2 -3.107 -18.444 -3.578 13 1HA GLY 2 2HA GLY 2 -2.720 -16.569 -4.845 14 2HA GLY 2 1HA GLY 2 -4.355 -16.685 -5.514 15 H ASP 3 H ASP 3 -4.012 -16.652 -2.001 16 HA ASP 3 HA ASP 3 -5.673 -14.303 -1.919 17 1HB ASP 3 2HB ASP 3 -4.665 -15.540 0.604 18 2HB ASP 3 3HB ASP 3 -6.284 -15.014 0.123 19 H GLY 4 H GLY 4 -3.823 -13.023 -2.959 20 1HA GLY 4 2HA GLY 4 -1.498 -12.319 -1.414 21 2HA GLY 4 1HA GLY 4 -2.163 -11.376 -2.742 22 H VAL 5 H VAL 5 -1.638 -11.409 0.602 23 HA VAL 5 HA VAL 5 -3.107 -8.897 0.865 24 HB VAL 5 HB VAL 5 -4.715 -10.499 1.738 25 1HG1 VAL 5 1HG1 VAL 5 -2.567 -11.460 3.679 26 2HG1 VAL 5 2HG1 VAL 5 -4.268 -11.949 3.650 27 3HG1 VAL 5 3HG1 VAL 5 -3.206 -12.387 2.309 28 1HG2 VAL 5 1HG2 VAL 5 -3.348 -9.137 4.102 29 2HG2 VAL 5 2HG2 VAL 5 -4.364 -8.287 2.926 30 3HG2 VAL 5 3HG2 VAL 5 -5.056 -9.568 3.941 31 H LEU 6 H LEU 6 -2.000 -7.425 2.135 32 HA LEU 6 HA LEU 6 -0.207 -8.458 4.134 33 1HB LEU 6 2HB LEU 6 1.791 -7.398 3.570 34 2HB LEU 6 3HB LEU 6 1.359 -8.377 2.175 35 HG LEU 6 HG LEU 6 0.892 -5.348 2.340 36 1HD1 LEU 6 1HD1 LEU 6 2.950 -5.172 0.969 37 2HD1 LEU 6 2HD1 LEU 6 3.262 -5.806 2.592 38 3HD1 LEU 6 3HD1 LEU 6 3.238 -6.909 1.198 39 1HD2 LEU 6 1HD2 LEU 6 1.055 -7.233 -0.049 40 2HD2 LEU 6 2HD2 LEU 6 -0.454 -6.520 0.573 41 3HD2 LEU 6 3HD2 LEU 6 0.802 -5.481 -0.110 42 H GLU 7 H GLU 7 0.190 -6.978 5.754 43 HA GLU 7 HA GLU 7 -0.894 -4.226 5.436 44 1HB GLU 7 2HB GLU 7 0.001 -5.622 7.976 45 2HB GLU 7 3HB GLU 7 -0.477 -3.928 7.774 46 1HG GLU 7 2HG GLU 7 -2.598 -5.201 6.568 47 2HG GLU 7 3HG GLU 7 -2.151 -6.393 7.785 48 H LEU 8 H LEU 8 0.602 -2.810 4.868 49 HA LEU 8 HA LEU 8 3.444 -3.366 5.606 50 1HB LEU 8 2HB LEU 8 4.124 -1.844 3.790 51 2HB LEU 8 3HB LEU 8 3.336 -3.315 3.238 52 HG LEU 8 HG LEU 8 1.166 -1.891 3.031 53 1HD1 LEU 8 1HD1 LEU 8 3.315 0.266 3.189 54 2HD1 LEU 8 2HD1 LEU 8 1.730 0.520 2.454 55 3HD1 LEU 8 3HD1 LEU 8 1.846 0.161 4.171 56 1HD2 LEU 8 1HD2 LEU 8 2.422 -2.792 1.132 57 2HD2 LEU 8 2HD2 LEU 8 1.809 -1.166 0.802 58 3HD2 LEU 8 3HD2 LEU 8 3.528 -1.400 1.190 59 H VAL 9 H VAL 9 4.556 -1.680 6.571 60 HA VAL 9 HA VAL 9 2.937 0.371 7.882 61 HB VAL 9 HB VAL 9 5.482 -0.908 8.394 62 1HG1 VAL 9 1HG1 VAL 9 6.900 0.993 8.961 63 2HG1 VAL 9 2HG1 VAL 9 6.637 0.913 7.219 64 3HG1 VAL 9 3HG1 VAL 9 5.761 2.116 8.203 65 1HG2 VAL 9 1HG2 VAL 9 4.083 1.319 9.918 66 2HG2 VAL 9 2HG2 VAL 9 3.651 -0.410 9.998 67 3HG2 VAL 9 3HG2 VAL 9 5.243 0.138 10.558 68 H VAL 10 H VAL 10 3.082 2.592 7.116 69 HA VAL 10 HA VAL 10 4.754 3.123 4.783 70 HB VAL 10 HB VAL 10 2.863 2.510 3.595 71 1HG1 VAL 10 1HG1 VAL 10 0.542 3.262 4.222 72 2HG1 VAL 10 2HG1 VAL 10 1.257 2.064 5.304 73 3HG1 VAL 10 3HG1 VAL 10 1.182 3.758 5.803 74 1HG2 VAL 10 1HG2 VAL 10 2.421 5.437 4.158 75 2HG2 VAL 10 2HG2 VAL 10 3.630 4.789 3.037 76 3HG2 VAL 10 3HG2 VAL 10 1.897 4.548 2.714 77 H ARG 11 H ARG 11 5.532 5.119 4.755 78 HA ARG 11 HA ARG 11 4.731 7.049 6.893 79 1HB ARG 11 2HB ARG 11 7.507 5.973 6.276 80 2HB ARG 11 3HB ARG 11 7.186 7.321 7.331 81 1HG ARG 11 2HG ARG 11 5.618 4.980 8.197 82 2HG ARG 11 3HG ARG 11 7.314 4.569 7.977 83 1HD ARG 11 2HD ARG 11 7.102 5.237 10.225 84 2HD ARG 11 3HD ARG 11 7.930 6.558 9.382 85 HE ARG 11 HE ARG 11 5.004 6.836 9.539 86 1HH1 ARG 11 2HH2 ARG 11 8.045 7.561 11.174 87 2HH1 ARG 11 1HH2 ARG 11 7.356 8.673 12.314 88 1HH2 ARG 11 2HH1 ARG 11 4.021 8.062 11.268 89 2HH2 ARG 11 1HH1 ARG 11 5.020 9.077 12.259 90 H GLY 12 H GLY 12 5.790 9.181 6.498 91 1HA GLY 12 2HA GLY 12 6.771 10.793 5.104 92 2HA GLY 12 1HA GLY 12 6.559 9.767 3.687 93 H MET 13 H MET 13 3.825 9.092 4.088 94 HA MET 13 HA MET 13 2.470 11.284 2.923 95 1HB MET 13 2HB MET 13 0.473 9.793 3.124 96 2HB MET 13 3HB MET 13 1.885 9.024 2.391 97 1HG MET 13 2HG MET 13 2.322 7.774 4.430 98 2HG MET 13 3HG MET 13 1.136 8.717 5.323 99 1HE MET 13 1HE MET 13 1.001 6.002 5.913 100 2HE MET 13 2HE MET 13 -0.389 7.041 6.262 101 3HE MET 13 3HE MET 13 -0.656 5.437 5.551 102 H THR 14 H THR 14 3.168 12.804 4.743 103 HA THR 14 HA THR 14 2.061 12.560 7.308 104 HB THR 14 HB THR 14 4.162 13.689 6.729 105 HG1 THR 14 1HG THR 14 2.229 15.204 8.109 106 1HG2 THR 14 1HG2 THR 14 2.421 15.977 5.695 107 2HG2 THR 14 2HG2 THR 14 4.180 15.995 5.910 108 3HG2 THR 14 3HG2 THR 14 3.451 14.933 4.696 109 H CYS 15 H CYS 15 -0.148 12.795 5.122 110 HA CYS 15 HA CYS 15 -1.983 14.175 6.747 111 1HB CYS 15 2HB CYS 15 -2.573 15.921 4.839 112 2HB CYS 15 3HB CYS 15 -1.424 16.275 6.116 113 H ALA 16 H ALA 16 -4.124 14.101 5.921 114 HA ALA 16 HA ALA 16 -4.895 11.723 4.737 115 1HB ALA 16 1HB ALA 16 -6.373 14.388 4.698 116 2HB ALA 16 2HB ALA 16 -7.096 12.792 4.415 117 3HB ALA 16 3HB ALA 16 -6.412 13.183 6.006 118 H SER 17 H SER 17 -4.144 14.825 3.192 119 HA SER 17 HA SER 17 -5.076 14.263 0.596 120 1HB SER 17 2HB SER 17 -3.767 16.054 -0.178 121 2HB SER 17 3HB SER 17 -4.349 16.522 1.423 122 HG SER 17 HG SER 17 -2.265 16.083 2.233 123 H CYS 18 H CYS 18 -2.116 13.186 2.260 124 HA CYS 18 HA CYS 18 -1.049 11.913 -0.171 125 1HB CYS 18 2HB CYS 18 0.023 12.019 2.598 126 2HB CYS 18 3HB CYS 18 0.711 11.124 1.221 127 H VAL 19 H VAL 19 -2.663 10.931 2.841 128 HA VAL 19 HA VAL 19 -2.578 8.166 2.395 129 HB VAL 19 HB VAL 19 -4.868 9.796 3.567 130 1HG1 VAL 19 1HG1 VAL 19 -5.647 7.517 3.012 131 2HG1 VAL 19 2HG1 VAL 19 -4.231 6.851 3.858 132 3HG1 VAL 19 3HG1 VAL 19 -5.483 7.728 4.757 133 1HG2 VAL 19 1HG2 VAL 19 -3.836 9.221 5.728 134 2HG2 VAL 19 2HG2 VAL 19 -2.548 8.321 4.905 135 3HG2 VAL 19 3HG2 VAL 19 -2.649 10.079 4.731 136 H HIS 20 H HIS 20 -5.276 10.339 1.278 137 HA HIS 20 HA HIS 20 -6.359 8.141 -0.255 138 1HB HIS 20 2HB HIS 20 -8.115 9.418 -0.872 139 2HB HIS 20 3HB HIS 20 -7.703 10.031 0.728 140 HD1 HIS 20 1HD HIS 20 -9.253 11.569 -1.810 141 HD2 HIS 20 2HD HIS 20 -5.372 12.087 -0.313 142 HE1 HIS 20 1HE HIS 20 -8.527 13.926 -2.472 143 H LYS 21 H LYS 21 -3.933 10.536 -1.008 144 HA LYS 21 HA LYS 21 -4.036 10.366 -3.885 145 1HB LYS 21 2HB LYS 21 -2.872 12.158 -2.838 146 2HB LYS 21 3HB LYS 21 -1.864 11.028 -1.905 147 1HG LYS 21 2HG LYS 21 -0.889 10.306 -4.159 148 2HG LYS 21 3HG LYS 21 -1.650 11.757 -4.816 149 1HD LYS 21 2HD LYS 21 0.406 11.600 -2.531 150 2HD LYS 21 3HD LYS 21 0.710 12.075 -4.193 151 1HE LYS 21 2HE LYS 21 0.663 14.130 -3.194 152 2HE LYS 21 3HE LYS 21 -0.997 14.009 -3.785 153 1HZ LYS 21 1HZ LYS 21 -0.890 14.848 -1.545 154 2HZ LYS 21 2HZ LYS 21 -1.641 13.401 -1.508 155 3HZ LYS 21 3HZ LYS 21 -0.084 13.558 -0.974 156 H ILE 22 H ILE 22 -2.134 8.604 -1.344 157 HA ILE 22 HA ILE 22 -0.959 6.674 -3.081 158 HB ILE 22 HB ILE 22 -1.847 6.434 -0.173 159 1HG1 ILE 22 2HG1 ILE 22 0.887 6.743 -1.480 160 2HG1 ILE 22 3HG1 ILE 22 -0.023 8.014 -0.630 161 1HG2 ILE 22 1HG2 ILE 22 -0.487 4.359 -0.091 162 2HG2 ILE 22 2HG2 ILE 22 -1.838 4.162 -1.174 163 3HG2 ILE 22 3HG2 ILE 22 -0.224 4.472 -1.846 164 1HD1 ILE 22 1HD1 ILE 22 1.278 5.555 0.557 165 2HD1 ILE 22 2HD1 ILE 22 1.511 7.252 0.976 166 3HD1 ILE 22 3HD1 ILE 22 -0.019 6.442 1.382 167 H GLU 23 H GLU 23 -3.974 6.427 -1.124 168 HA GLU 23 HA GLU 23 -4.642 3.903 -1.985 169 1HB GLU 23 2HB GLU 23 -5.671 5.532 -0.178 170 2HB GLU 23 3HB GLU 23 -6.863 5.910 -1.415 171 1HG GLU 23 2HG GLU 23 -7.649 3.635 -1.437 172 2HG GLU 23 3HG GLU 23 -6.192 3.058 -0.611 173 H SER 24 H SER 24 -5.922 6.932 -3.351 174 HA SER 24 HA SER 24 -7.422 5.875 -5.487 175 1HB SER 24 2HB SER 24 -7.548 8.191 -4.615 176 2HB SER 24 3HB SER 24 -5.951 8.544 -5.307 177 HG SER 24 HG SER 24 -7.728 9.178 -6.659 178 H SER 25 H SER 25 -3.936 6.876 -5.388 179 HA SER 25 HA SER 25 -3.584 6.555 -8.227 180 1HB SER 25 2HB SER 25 -2.136 7.973 -6.778 181 2HB SER 25 3HB SER 25 -1.500 6.517 -5.993 182 HG SER 25 HG SER 25 -1.309 7.197 -8.754 183 H LEU 26 H LEU 26 -2.597 4.532 -5.416 184 HA LEU 26 HA LEU 26 -1.460 2.438 -6.804 185 1HB LEU 26 2HB LEU 26 -1.122 2.943 -4.502 186 2HB LEU 26 3HB LEU 26 -2.853 2.755 -4.135 187 HG LEU 26 HG LEU 26 -2.747 0.397 -4.496 188 1HD1 LEU 26 1HD1 LEU 26 -0.435 -0.697 -4.622 189 2HD1 LEU 26 2HD1 LEU 26 -0.943 0.120 -6.101 190 3HD1 LEU 26 3HD1 LEU 26 0.224 0.906 -5.012 191 1HD2 LEU 26 1HD2 LEU 26 -0.566 1.425 -2.620 192 2HD2 LEU 26 2HD2 LEU 26 -2.303 1.444 -2.267 193 3HD2 LEU 26 3HD2 LEU 26 -1.455 -0.106 -2.447 194 H THR 27 H THR 27 -4.905 2.764 -5.660 195 HA THR 27 HA THR 27 -5.668 0.199 -6.636 196 HB THR 27 HB THR 27 -7.995 1.090 -6.598 197 HG1 THR 27 1HG THR 27 -6.761 3.436 -5.574 198 1HG2 THR 27 1HG2 THR 27 -8.072 1.384 -4.153 199 2HG2 THR 27 2HG2 THR 27 -7.026 0.031 -4.619 200 3HG2 THR 27 3HG2 THR 27 -6.311 1.571 -4.106 201 H LYS 28 H LYS 28 -4.766 2.936 -8.587 202 HA LYS 28 HA LYS 28 -6.493 2.322 -10.788 203 1HB LYS 28 2HB LYS 28 -5.320 3.835 -12.001 204 2HB LYS 28 3HB LYS 28 -5.145 4.447 -10.366 205 1HG LYS 28 2HG LYS 28 -2.944 4.638 -10.878 206 2HG LYS 28 3HG LYS 28 -2.854 2.912 -10.601 207 1HD LYS 28 2HD LYS 28 -1.813 3.268 -12.688 208 2HD LYS 28 3HD LYS 28 -3.406 2.614 -13.108 209 1HE LYS 28 2HE LYS 28 -4.202 4.997 -13.507 210 2HE LYS 28 3HE LYS 28 -2.582 5.573 -13.102 211 1HZ LYS 28 1HZ LYS 28 -1.750 4.356 -14.998 212 2HZ LYS 28 2HZ LYS 28 -3.262 3.806 -15.358 213 3HZ LYS 28 3HZ LYS 28 -2.924 5.412 -15.454 214 H HIS 29 H HIS 29 -3.663 0.666 -9.518 215 HA HIS 29 HA HIS 29 -2.954 -0.508 -12.120 216 1HB HIS 29 2HB HIS 29 -1.973 -1.270 -9.363 217 2HB HIS 29 3HB HIS 29 -1.248 -1.699 -10.915 218 HD1 HIS 29 1HD HIS 29 -0.497 0.770 -12.357 219 HD2 HIS 29 2HD HIS 29 -0.890 0.714 -8.187 220 HE1 HIS 29 1HE HIS 29 0.643 2.899 -11.453 221 H ARG 30 H ARG 30 -3.707 -2.449 -12.912 222 HA ARG 30 HA ARG 30 -5.821 -3.912 -11.612 223 1HB ARG 30 2HB ARG 30 -3.867 -4.698 -13.827 224 2HB ARG 30 3HB ARG 30 -5.253 -5.666 -13.297 225 1HG ARG 30 2HG ARG 30 -6.788 -3.793 -13.876 226 2HG ARG 30 3HG ARG 30 -5.406 -2.867 -14.505 227 1HD ARG 30 2HD ARG 30 -4.933 -4.662 -16.137 228 2HD ARG 30 3HD ARG 30 -6.289 -5.618 -15.482 229 HE ARG 30 HE ARG 30 -7.261 -3.059 -16.237 230 1HH1 ARG 30 2HH2 ARG 30 -6.020 -6.008 -17.705 231 2HH1 ARG 30 1HH2 ARG 30 -6.923 -5.867 -19.181 232 1HH2 ARG 30 2HH1 ARG 30 -8.493 -2.819 -18.189 233 2HH2 ARG 30 1HH1 ARG 30 -8.364 -3.992 -19.458 234 H GLY 31 H GLY 31 -5.633 -5.995 -10.582 235 1HA GLY 31 2HA GLY 31 -4.419 -7.720 -9.542 236 2HA GLY 31 1HA GLY 31 -2.927 -6.775 -9.593 237 H ILE 32 H ILE 32 -4.477 -4.259 -8.619 238 HA ILE 32 HA ILE 32 -4.284 -4.899 -5.760 239 HB ILE 32 HB ILE 32 -5.160 -2.351 -7.170 240 1HG1 ILE 32 2HG1 ILE 32 -2.838 -2.974 -7.854 241 2HG1 ILE 32 3HG1 ILE 32 -2.945 -1.489 -6.921 242 1HG2 ILE 32 1HG2 ILE 32 -5.860 -2.386 -4.849 243 2HG2 ILE 32 2HG2 ILE 32 -4.263 -2.945 -4.314 244 3HG2 ILE 32 3HG2 ILE 32 -4.451 -1.319 -5.005 245 1HD1 ILE 32 1HD1 ILE 32 -2.142 -2.605 -4.912 246 2HD1 ILE 32 2HD1 ILE 32 -2.110 -4.174 -5.755 247 3HD1 ILE 32 3HD1 ILE 32 -1.030 -2.859 -6.260 248 H LEU 33 H LEU 33 -6.013 -5.651 -4.613 249 HA LEU 33 HA LEU 33 -8.699 -5.691 -5.927 250 1HB LEU 33 2HB LEU 33 -7.599 -7.229 -3.546 251 2HB LEU 33 3HB LEU 33 -9.245 -7.342 -4.153 252 HG LEU 33 HG LEU 33 -6.809 -8.013 -5.847 253 1HD1 LEU 33 1HD1 LEU 33 -8.627 -9.877 -4.263 254 2HD1 LEU 33 2HD1 LEU 33 -7.320 -10.370 -5.358 255 3HD1 LEU 33 3HD1 LEU 33 -6.937 -9.500 -3.866 256 1HD2 LEU 33 1HD2 LEU 33 -9.794 -8.563 -6.180 257 2HD2 LEU 33 2HD2 LEU 33 -8.775 -7.532 -7.214 258 3HD2 LEU 33 3HD2 LEU 33 -8.521 -9.277 -7.184 259 H TYR 34 H TYR 34 -6.976 -4.771 -2.883 260 HA TYR 34 HA TYR 34 -8.960 -2.675 -2.483 261 1HB TYR 34 2HB TYR 34 -10.049 -4.682 -1.433 262 2HB TYR 34 3HB TYR 34 -8.607 -4.905 -0.439 263 HD1 TYR 34 HD1 TYR 34 -11.034 -2.161 -1.306 264 HD2 TYR 34 HD2 TYR 34 -8.691 -4.104 1.745 265 HE1 TYR 34 HE1 TYR 34 -11.826 -0.503 0.359 266 HE2 TYR 34 HE2 TYR 34 -9.602 -2.537 3.439 267 HH TYR 34 HH TYR 34 -11.629 0.255 2.538 268 H CYS 35 H CYS 35 -8.300 -1.180 -0.883 269 HA CYS 35 HA CYS 35 -5.546 -1.299 0.235 270 1HB CYS 35 2HB CYS 35 -6.693 0.872 -1.559 271 2HB CYS 35 3HB CYS 35 -5.275 1.048 -0.484 272 HG CYS 35 HG CYS 35 -4.477 0.838 -2.911 273 H SER 36 H SER 36 -5.758 -0.715 2.307 274 HA SER 36 HA SER 36 -7.681 1.447 3.058 275 1HB SER 36 2HB SER 36 -8.876 -0.246 4.026 276 2HB SER 36 3HB SER 36 -7.475 -1.303 4.231 277 HG SER 36 HG SER 36 -6.775 0.176 5.881 278 H VAL 37 H VAL 37 -5.948 2.871 2.835 279 HA VAL 37 HA VAL 37 -3.542 2.395 4.534 280 HB VAL 37 HB VAL 37 -2.942 2.808 2.254 281 1HG1 VAL 37 1HG1 VAL 37 -4.673 3.867 1.200 282 2HG1 VAL 37 2HG1 VAL 37 -4.775 5.191 2.380 283 3HG1 VAL 37 3HG1 VAL 37 -3.405 5.089 1.251 284 1HG2 VAL 37 1HG2 VAL 37 -1.636 3.786 4.130 285 2HG2 VAL 37 2HG2 VAL 37 -1.407 4.525 2.531 286 3HG2 VAL 37 3HG2 VAL 37 -2.397 5.353 3.759 287 H ALA 38 H ALA 38 -3.037 3.588 6.328 288 HA ALA 38 HA ALA 38 -4.485 6.135 6.771 289 1HB ALA 38 1HB ALA 38 -4.797 5.384 9.161 290 2HB ALA 38 2HB ALA 38 -5.848 4.547 7.977 291 3HB ALA 38 3HB ALA 38 -4.391 3.742 8.611 292 H LEU 39 H LEU 39 -3.209 7.596 7.546 293 HA LEU 39 HA LEU 39 -0.449 7.133 8.384 294 1HB LEU 39 2HB LEU 39 -0.195 9.453 8.540 295 2HB LEU 39 3HB LEU 39 -1.201 9.158 7.134 296 HG LEU 39 HG LEU 39 -3.207 9.659 8.820 297 1HD1 LEU 39 1HD1 LEU 39 -0.876 11.205 10.079 298 2HD1 LEU 39 2HD1 LEU 39 -2.591 11.407 10.469 299 3HD1 LEU 39 3HD1 LEU 39 -1.761 9.916 10.901 300 1HD2 LEU 39 1HD2 LEU 39 -2.658 11.008 6.837 301 2HD2 LEU 39 2HD2 LEU 39 -3.024 12.060 8.207 302 3HD2 LEU 39 3HD2 LEU 39 -1.336 11.797 7.716 303 H ALA 40 H ALA 40 -3.544 7.592 9.989 304 HA ALA 40 HA ALA 40 -2.720 8.187 12.580 305 1HB ALA 40 1HB ALA 40 -5.071 8.142 11.837 306 2HB ALA 40 2HB ALA 40 -5.010 6.368 11.712 307 3HB ALA 40 3HB ALA 40 -4.842 7.158 13.294 308 H THR 41 H THR 41 -2.587 5.109 10.884 309 HA THR 41 HA THR 41 -1.152 3.876 13.184 310 HB THR 41 HB THR 41 -3.375 2.865 12.961 311 HG1 THR 41 1HG THR 41 -1.212 1.341 12.039 312 1HG2 THR 41 1HG2 THR 41 -2.789 2.536 10.019 313 2HG2 THR 41 2HG2 THR 41 -4.139 1.779 10.906 314 3HG2 THR 41 3HG2 THR 41 -4.051 3.524 10.803 315 H ASN 42 H ASN 42 -0.417 5.399 10.607 316 HA ASN 42 HA ASN 42 0.800 5.082 8.693 317 1HB ASN 42 2HB ASN 42 2.508 4.412 11.133 318 2HB ASN 42 3HB ASN 42 3.262 4.425 9.533 319 1HD2 ASN 42 1HD2 ASN 42 2.425 6.265 8.102 320 2HD2 ASN 42 2HD2 ASN 42 2.047 7.804 8.879 321 H LYS 43 H LYS 43 -0.833 3.229 8.228 322 HA LYS 43 HA LYS 43 0.799 0.930 7.423 323 1HB LYS 43 2HB LYS 43 0.275 -0.112 9.351 324 2HB LYS 43 3HB LYS 43 -1.137 0.874 9.680 325 1HG LYS 43 2HG LYS 43 -1.235 -1.306 7.584 326 2HG LYS 43 3HG LYS 43 -1.464 -1.602 9.285 327 1HD LYS 43 2HD LYS 43 -3.069 0.735 8.301 328 2HD LYS 43 3HD LYS 43 -3.500 -0.793 7.533 329 1HE LYS 43 2HE LYS 43 -3.337 -0.322 10.550 330 2HE LYS 43 3HE LYS 43 -4.828 -0.276 9.591 331 1HZ LYS 43 1HZ LYS 43 -3.110 -2.664 10.017 332 2HZ LYS 43 2HZ LYS 43 -4.589 -2.398 10.661 333 3HZ LYS 43 3HZ LYS 43 -4.361 -2.699 9.061 334 H ALA 44 H ALA 44 -0.151 -0.360 5.817 335 HA ALA 44 HA ALA 44 -2.739 0.528 4.750 336 1HB ALA 44 1HB ALA 44 -0.403 0.064 2.889 337 2HB ALA 44 2HB ALA 44 -2.024 0.665 2.496 338 3HB ALA 44 3HB ALA 44 -0.898 1.691 3.394 339 H HIS 45 H HIS 45 -3.991 -1.022 4.744 340 HA HIS 45 HA HIS 45 -3.103 -3.871 4.565 341 1HB HIS 45 2HB HIS 45 -4.791 -2.976 6.253 342 2HB HIS 45 3HB HIS 45 -5.862 -2.648 4.895 343 HD1 HIS 45 1HD HIS 45 -4.925 -5.307 7.233 344 HD2 HIS 45 2HD HIS 45 -6.200 -4.983 3.251 345 HE1 HIS 45 1HE HIS 45 -5.765 -7.657 6.544 346 H ILE 46 H ILE 46 -2.559 -4.385 2.535 347 HA ILE 46 HA ILE 46 -4.357 -3.469 0.343 348 HB ILE 46 HB ILE 46 -1.418 -4.220 0.197 349 1HG1 ILE 46 2HG1 ILE 46 -1.334 -2.080 -1.125 350 2HG1 ILE 46 3HG1 ILE 46 -3.013 -1.768 -0.690 351 1HG2 ILE 46 1HG2 ILE 46 -2.509 -5.376 -1.645 352 2HG2 ILE 46 2HG2 ILE 46 -3.515 -3.955 -2.007 353 3HG2 ILE 46 3HG2 ILE 46 -1.778 -3.921 -2.306 354 1HD1 ILE 46 1HD1 ILE 46 -2.436 -1.434 1.588 355 2HD1 ILE 46 2HD1 ILE 46 -0.812 -2.147 1.371 356 3HD1 ILE 46 3HD1 ILE 46 -1.215 -0.578 0.633 357 H LYS 47 H LYS 47 -5.379 -5.009 -0.736 358 HA LYS 47 HA LYS 47 -4.599 -7.859 -0.398 359 1HB LYS 47 2HB LYS 47 -7.359 -6.652 -0.604 360 2HB LYS 47 3HB LYS 47 -7.007 -8.368 -0.931 361 1HG LYS 47 2HG LYS 47 -6.066 -8.539 1.382 362 2HG LYS 47 3HG LYS 47 -6.600 -6.876 1.693 363 1HD LYS 47 2HD LYS 47 -8.954 -7.611 1.092 364 2HD LYS 47 3HD LYS 47 -8.335 -9.271 0.935 365 1HE LYS 47 2HE LYS 47 -7.499 -9.070 3.353 366 2HE LYS 47 3HE LYS 47 -8.365 -7.527 3.450 367 1HZ LYS 47 1HZ LYS 47 -10.400 -8.716 2.994 368 2HZ LYS 47 2HZ LYS 47 -9.591 -10.150 2.914 369 3HZ LYS 47 3HZ LYS 47 -9.654 -9.317 4.330 370 H TYR 48 H TYR 48 -4.377 -8.919 -2.391 371 HA TYR 48 HA TYR 48 -4.831 -7.467 -4.856 372 1HB TYR 48 2HB TYR 48 -2.477 -7.178 -5.387 373 2HB TYR 48 3HB TYR 48 -2.821 -6.346 -3.887 374 HD1 TYR 48 HD1 TYR 48 -0.675 -8.662 -5.547 375 HD2 TYR 48 HD2 TYR 48 -2.241 -7.688 -1.646 376 HE1 TYR 48 HE1 TYR 48 1.216 -9.842 -4.483 377 HE2 TYR 48 HE2 TYR 48 -0.417 -8.985 -0.601 378 HH TYR 48 HH TYR 48 2.012 -10.749 -2.509 379 H ASP 49 H ASP 49 -4.094 -8.765 -6.735 380 HA ASP 49 HA ASP 49 -4.267 -11.668 -6.275 381 1HB ASP 49 2HB ASP 49 -3.940 -10.087 -8.871 382 2HB ASP 49 3HB ASP 49 -4.367 -11.795 -8.713 383 HA PRO 50 HA PRO 50 0.257 -11.145 -6.104 384 1HB PRO 50 2HB PRO 50 0.982 -13.444 -4.880 385 2HB PRO 50 3HB PRO 50 -0.068 -12.260 -4.056 386 1HG PRO 50 2HG PRO 50 -0.953 -14.724 -5.583 387 2HG PRO 50 3HG PRO 50 -1.404 -14.250 -3.915 388 1HD PRO 50 2HD PRO 50 -2.955 -13.654 -6.115 389 2HD PRO 50 3HD PRO 50 -2.844 -12.558 -4.707 390 H GLU 51 H GLU 51 -0.344 -11.319 -8.550 391 HA GLU 51 HA GLU 51 1.540 -13.032 -9.904 392 1HB GLU 51 2HB GLU 51 -0.200 -14.248 -11.274 393 2HB GLU 51 3HB GLU 51 -0.034 -14.779 -9.602 394 1HG GLU 51 2HG GLU 51 -2.081 -13.437 -8.995 395 2HG GLU 51 3HG GLU 51 -2.288 -13.070 -10.721 396 H ILE 52 H ILE 52 -1.474 -11.109 -10.215 397 HA ILE 52 HA ILE 52 -0.697 -9.852 -12.709 398 HB ILE 52 HB ILE 52 -2.570 -8.941 -10.504 399 1HG1 ILE 52 2HG1 ILE 52 -3.247 -11.092 -11.656 400 2HG1 ILE 52 3HG1 ILE 52 -4.404 -9.769 -11.722 401 1HG2 ILE 52 1HG2 ILE 52 -2.114 -7.857 -13.316 402 2HG2 ILE 52 2HG2 ILE 52 -3.558 -7.491 -12.350 403 3HG2 ILE 52 3HG2 ILE 52 -1.958 -6.990 -11.785 404 1HD1 ILE 52 1HD1 ILE 52 -2.514 -10.477 -14.005 405 2HD1 ILE 52 2HD1 ILE 52 -4.211 -10.973 -13.875 406 3HD1 ILE 52 3HD1 ILE 52 -3.812 -9.257 -14.034 407 H ILE 53 H ILE 53 -0.072 -9.155 -9.199 408 HA ILE 53 HA ILE 53 1.975 -7.279 -9.917 409 HB ILE 53 HB ILE 53 -0.536 -6.204 -9.726 410 1HG1 ILE 53 2HG1 ILE 53 2.099 -5.093 -8.882 411 2HG1 ILE 53 3HG1 ILE 53 1.304 -4.976 -10.447 412 1HG2 ILE 53 1HG2 ILE 53 0.436 -5.983 -6.857 413 2HG2 ILE 53 2HG2 ILE 53 -1.054 -5.337 -7.575 414 3HG2 ILE 53 3HG2 ILE 53 -0.861 -7.078 -7.409 415 1HD1 ILE 53 1HD1 ILE 53 -0.519 -3.607 -9.325 416 2HD1 ILE 53 2HD1 ILE 53 0.515 -3.568 -7.868 417 3HD1 ILE 53 3HD1 ILE 53 1.084 -2.838 -9.375 418 H GLY 54 H GLY 54 3.323 -6.937 -7.992 419 1HA GLY 54 2HA GLY 54 2.993 -9.062 -5.923 420 2HA GLY 54 1HA GLY 54 4.507 -8.453 -6.602 421 HA PRO 55 HA PRO 55 3.343 -6.156 -2.614 422 1HB PRO 55 2HB PRO 55 5.386 -7.050 -1.020 423 2HB PRO 55 3HB PRO 55 3.818 -7.888 -1.187 424 1HG PRO 55 2HG PRO 55 6.398 -8.524 -2.636 425 2HG PRO 55 3HG PRO 55 5.297 -9.654 -1.799 426 1HD PRO 55 2HD PRO 55 5.187 -9.293 -4.491 427 2HD PRO 55 3HD PRO 55 3.694 -9.521 -3.541 428 H ARG 56 H ARG 56 6.442 -6.916 -4.208 429 HA ARG 56 HA ARG 56 7.927 -4.534 -3.672 430 1HB ARG 56 2HB ARG 56 7.938 -6.710 -5.733 431 2HB ARG 56 3HB ARG 56 8.500 -5.145 -6.305 432 1HG ARG 56 2HG ARG 56 10.382 -6.407 -5.514 433 2HG ARG 56 3HG ARG 56 10.131 -4.962 -4.522 434 1HD ARG 56 2HD ARG 56 8.997 -6.393 -2.796 435 2HD ARG 56 3HD ARG 56 9.362 -7.824 -3.795 436 HE ARG 56 HE ARG 56 11.776 -6.439 -3.426 437 1HH1 ARG 56 2HH2 ARG 56 9.429 -8.113 -1.414 438 2HH1 ARG 56 1HH2 ARG 56 10.542 -8.516 -0.143 439 1HH2 ARG 56 2HH1 ARG 56 13.303 -6.941 -1.765 440 2HH2 ARG 56 1HH1 ARG 56 12.815 -7.834 -0.364 441 H ASP 57 H ASP 57 5.661 -5.158 -6.447 442 HA ASP 57 HA ASP 57 5.852 -2.637 -7.543 443 1HB ASP 57 2HB ASP 57 3.298 -4.249 -7.313 444 2HB ASP 57 3HB ASP 57 3.746 -3.123 -8.605 445 H ILE 58 H ILE 58 3.415 -3.765 -5.148 446 HA ILE 58 HA ILE 58 2.102 -1.315 -4.720 447 HB ILE 58 HB ILE 58 2.618 -3.686 -2.904 448 1HG1 ILE 58 2HG1 ILE 58 -0.047 -2.890 -3.980 449 2HG1 ILE 58 3HG1 ILE 58 1.099 -3.622 -5.114 450 1HG2 ILE 58 1HG2 ILE 58 0.807 -2.856 -1.445 451 2HG2 ILE 58 2HG2 ILE 58 2.218 -1.809 -1.398 452 3HG2 ILE 58 3HG2 ILE 58 0.797 -1.317 -2.341 453 1HD1 ILE 58 1HD1 ILE 58 -0.365 -5.305 -4.060 454 2HD1 ILE 58 2HD1 ILE 58 1.353 -5.576 -3.718 455 3HD1 ILE 58 3HD1 ILE 58 0.310 -4.883 -2.466 456 H ILE 59 H ILE 59 4.795 -2.630 -2.706 457 HA ILE 59 HA ILE 59 5.074 -0.429 -0.975 458 HB ILE 59 HB ILE 59 6.940 -2.584 -2.010 459 1HG1 ILE 59 2HG1 ILE 59 5.931 -2.104 0.823 460 2HG1 ILE 59 3HG1 ILE 59 4.938 -2.946 -0.376 461 1HG2 ILE 59 1HG2 ILE 59 7.620 -0.347 -0.093 462 2HG2 ILE 59 2HG2 ILE 59 8.522 -1.876 -0.140 463 3HG2 ILE 59 3HG2 ILE 59 8.487 -0.835 -1.561 464 1HD1 ILE 59 1HD1 ILE 59 7.684 -3.851 0.558 465 2HD1 ILE 59 2HD1 ILE 59 6.114 -4.590 0.923 466 3HD1 ILE 59 3HD1 ILE 59 6.727 -4.598 -0.743 467 H HIS 60 H HIS 60 6.791 -1.108 -4.043 468 HA HIS 60 HA HIS 60 8.312 1.302 -3.963 469 1HB HIS 60 2HB HIS 60 9.139 -0.593 -5.122 470 2HB HIS 60 3HB HIS 60 7.664 -0.728 -6.092 471 HD1 HIS 60 1HD HIS 60 10.555 1.879 -5.787 472 HD2 HIS 60 2HD HIS 60 7.620 0.264 -8.300 473 HE1 HIS 60 1HE HIS 60 10.929 2.945 -8.092 474 H THR 61 H THR 61 5.062 0.539 -5.260 475 HA THR 61 HA THR 61 4.831 2.904 -6.904 476 HB THR 61 HB THR 61 2.708 1.197 -5.533 477 HG1 THR 61 1HG THR 61 3.932 0.216 -7.188 478 1HG2 THR 61 1HG2 THR 61 1.125 2.241 -7.097 479 2HG2 THR 61 2HG2 THR 61 1.770 3.447 -5.981 480 3HG2 THR 61 3HG2 THR 61 2.380 3.365 -7.650 481 H ILE 62 H ILE 62 4.079 2.121 -3.492 482 HA ILE 62 HA ILE 62 3.164 4.738 -2.730 483 HB ILE 62 HB ILE 62 4.395 2.390 -1.264 484 1HG1 ILE 62 2HG1 ILE 62 1.780 3.707 -0.719 485 2HG1 ILE 62 3HG1 ILE 62 1.928 2.626 -2.128 486 1HG2 ILE 62 1HG2 ILE 62 5.224 4.243 0.068 487 2HG2 ILE 62 2HG2 ILE 62 3.719 5.163 -0.172 488 3HG2 ILE 62 3HG2 ILE 62 3.729 3.746 0.863 489 1HD1 ILE 62 1HD1 ILE 62 2.684 0.790 -0.681 490 2HD1 ILE 62 2HD1 ILE 62 2.533 1.835 0.747 491 3HD1 ILE 62 3HD1 ILE 62 1.089 1.387 -0.182 492 H GLU 63 H GLU 63 6.421 3.195 -2.480 493 HA GLU 63 HA GLU 63 7.571 5.346 -1.220 494 1HB GLU 63 2HB GLU 63 9.521 4.204 -1.281 495 2HB GLU 63 3HB GLU 63 8.453 2.891 -1.771 496 1HG GLU 63 2HG GLU 63 9.070 3.445 -4.176 497 2HG GLU 63 3HG GLU 63 10.241 4.591 -3.531 498 H SER 64 H SER 64 7.298 4.764 -4.665 499 HA SER 64 HA SER 64 9.019 6.750 -5.630 500 1HB SER 64 2HB SER 64 6.585 5.484 -6.954 501 2HB SER 64 3HB SER 64 7.850 6.414 -7.784 502 HG SER 64 HG SER 64 8.135 3.958 -6.399 503 H LEU 65 H LEU 65 5.861 7.308 -4.212 504 HA LEU 65 HA LEU 65 5.444 9.851 -5.621 505 1HB LEU 65 2HB LEU 65 4.361 8.508 -3.155 506 2HB LEU 65 3HB LEU 65 4.057 10.234 -3.421 507 HG LEU 65 HG LEU 65 2.177 8.949 -4.095 508 1HD1 LEU 65 1HD1 LEU 65 3.482 9.945 -6.655 509 2HD1 LEU 65 2HD1 LEU 65 1.758 9.836 -6.276 510 3HD1 LEU 65 3HD1 LEU 65 2.777 11.004 -5.413 511 1HD2 LEU 65 1HD2 LEU 65 2.157 7.338 -5.911 512 2HD2 LEU 65 2HD2 LEU 65 3.914 7.479 -6.101 513 3HD2 LEU 65 3HD2 LEU 65 3.223 6.831 -4.590 514 H GLY 66 H GLY 66 5.981 9.520 -2.103 515 1HA GLY 66 2HA GLY 66 8.683 10.496 -2.251 516 2HA GLY 66 1HA GLY 66 7.585 11.747 -1.623 517 H PHE 67 H PHE 67 7.640 8.129 -1.257 518 HA PHE 67 HA PHE 67 7.154 8.589 1.677 519 1HB PHE 67 2HB PHE 67 5.682 6.743 -0.210 520 2HB PHE 67 3HB PHE 67 5.312 6.964 1.491 521 HD1 PHE 67 1HD PHE 67 3.514 7.312 -1.085 522 HD2 PHE 67 2HD PHE 67 5.521 10.075 1.559 523 HE1 PHE 67 1HE PHE 67 1.886 9.077 -1.664 524 HE2 PHE 67 2HE PHE 67 3.932 11.837 0.921 525 HZ PHE 67 HZ PHE 67 2.099 11.345 -0.672 526 H GLU 68 H GLU 68 6.914 6.349 2.747 527 HA GLU 68 HA GLU 68 9.085 4.508 1.882 528 1HB GLU 68 2HB GLU 68 10.252 5.147 3.700 529 2HB GLU 68 3HB GLU 68 8.905 6.028 4.408 530 1HG GLU 68 2HG GLU 68 9.648 4.278 5.913 531 2HG GLU 68 3HG GLU 68 8.007 3.914 5.371 532 H ALA 69 H ALA 69 8.475 2.364 2.239 533 HA ALA 69 HA ALA 69 6.167 1.793 3.737 534 1HB ALA 69 1HB ALA 69 5.078 0.370 1.809 535 2HB ALA 69 2HB ALA 69 4.818 2.122 1.806 536 3HB ALA 69 3HB ALA 69 6.022 1.394 0.716 537 H SER 70 H SER 70 6.155 -0.364 4.482 538 HA SER 70 HA SER 70 7.972 -2.327 3.243 539 1HB SER 70 2HB SER 70 9.432 -0.889 4.700 540 2HB SER 70 3HB SER 70 8.440 -1.346 6.091 541 HG SER 70 HG SER 70 10.323 -2.679 5.786 542 H LEU 71 H LEU 71 7.151 -4.357 3.531 543 HA LEU 71 HA LEU 71 4.596 -4.861 4.631 544 1HB LEU 71 2HB LEU 71 4.950 -7.107 4.210 545 2HB LEU 71 3HB LEU 71 5.706 -6.211 2.895 546 HG LEU 71 HG LEU 71 7.152 -7.580 5.219 547 1HD1 LEU 71 1HD1 LEU 71 6.940 -8.299 2.270 548 2HD1 LEU 71 2HD1 LEU 71 7.879 -9.171 3.501 549 3HD1 LEU 71 3HD1 LEU 71 6.112 -9.125 3.607 550 1HD2 LEU 71 1HD2 LEU 71 8.544 -5.705 4.495 551 2HD2 LEU 71 2HD2 LEU 71 9.212 -7.194 3.837 552 3HD2 LEU 71 3HD2 LEU 71 8.275 -6.119 2.781 553 H VAL 72 H VAL 72 3.848 -5.669 6.635 554 HA VAL 72 HA VAL 72 5.863 -6.337 8.697 555 HB VAL 72 HB VAL 72 4.574 -5.058 10.386 556 1HG1 VAL 72 1HG1 VAL 72 6.679 -4.174 9.436 557 2HG1 VAL 72 2HG1 VAL 72 5.748 -3.299 8.205 558 3HG1 VAL 72 3HG1 VAL 72 5.557 -2.891 9.920 559 1HG2 VAL 72 1HG2 VAL 72 3.087 -3.230 9.718 560 2HG2 VAL 72 2HG2 VAL 72 3.231 -3.692 8.016 561 3HG2 VAL 72 3HG2 VAL 72 2.428 -4.777 9.166 562 H LYS 73 H LYS 73 5.044 -7.648 10.397 563 HA LYS 73 HA LYS 73 2.379 -8.547 10.545 564 1HB LYS 73 2HB LYS 73 3.473 -9.832 8.444 565 2HB LYS 73 3HB LYS 73 4.318 -10.726 9.698 566 1HG LYS 73 2HG LYS 73 1.600 -10.764 10.519 567 2HG LYS 73 3HG LYS 73 1.514 -10.847 8.763 568 1HD LYS 73 2HD LYS 73 3.080 -12.786 8.779 569 2HD LYS 73 3HD LYS 73 3.228 -12.657 10.532 570 1HE LYS 73 2HE LYS 73 0.666 -12.998 10.651 571 2HE LYS 73 3HE LYS 73 0.753 -13.406 8.924 572 1HZ LYS 73 1HZ LYS 73 1.029 -15.474 9.922 573 2HZ LYS 73 2HZ LYS 73 2.631 -14.997 9.918 574 3HZ LYS 73 3HZ LYS 73 1.817 -14.883 11.240 575 H ILE 74 H ILE 74 2.527 -10.550 12.250 576 HA ILE 74 HA ILE 74 5.032 -10.727 13.679 577 HB ILE 74 HB ILE 74 3.946 -10.560 15.899 578 1HG1 ILE 74 2HG1 ILE 74 1.880 -9.129 16.096 579 2HG1 ILE 74 3HG1 ILE 74 1.541 -9.423 14.392 580 1HG2 ILE 74 1HG2 ILE 74 5.257 -8.695 14.918 581 2HG2 ILE 74 2HG2 ILE 74 3.740 -7.961 14.349 582 3HG2 ILE 74 3HG2 ILE 74 4.035 -8.168 16.083 583 1HD1 ILE 74 1HD1 ILE 74 1.172 -11.799 14.857 584 2HD1 ILE 74 2HD1 ILE 74 1.860 -11.629 16.490 585 3HD1 ILE 74 3HD1 ILE 74 0.311 -10.869 16.080 586 H GLU 75 H GLU 75 4.643 -12.639 15.370 587 HA GLU 75 HA GLU 75 2.714 -14.597 14.488 588 1HB GLU 75 2HB GLU 75 5.656 -15.274 14.911 589 2HB GLU 75 3HB GLU 75 4.359 -16.374 14.439 590 1HG GLU 75 2HG GLU 75 5.536 -14.149 12.693 591 2HG GLU 75 3HG GLU 75 5.924 -15.866 12.582 Start of MODEL 6 1 1H MET 1 H1 MET 1 -9.118 -15.769 -5.756 2 2H MET 1 H2 MET 1 -10.244 -16.521 -4.752 3 3H MET 1 H3 MET 1 -8.669 -16.265 -4.298 4 HA MET 1 HA MET 1 -8.456 -18.386 -4.741 5 1HB MET 1 2HB MET 1 -10.812 -18.626 -5.514 6 2HB MET 1 3HB MET 1 -10.336 -18.069 -7.126 7 1HG MET 1 2HG MET 1 -8.828 -20.021 -7.347 8 2HG MET 1 3HG MET 1 -9.199 -20.509 -5.685 9 1HE MET 1 1HE MET 1 -10.820 -23.338 -7.818 10 2HE MET 1 2HE MET 1 -9.315 -22.458 -8.177 11 3HE MET 1 3HE MET 1 -9.685 -22.949 -6.503 12 H GLY 2 H GLY 2 -6.616 -16.795 -4.991 13 1HA GLY 2 2HA GLY 2 -4.903 -15.828 -6.466 14 2HA GLY 2 1HA GLY 2 -6.103 -15.858 -7.785 15 H ASP 3 H ASP 3 -4.912 -13.851 -5.551 16 HA ASP 3 HA ASP 3 -6.577 -12.034 -4.487 17 1HB ASP 3 2HB ASP 3 -7.743 -13.009 -2.569 18 2HB ASP 3 3HB ASP 3 -8.371 -13.755 -4.008 19 H GLY 4 H GLY 4 -6.070 -11.741 -1.960 20 1HA GLY 4 2HA GLY 4 -4.168 -13.111 -0.557 21 2HA GLY 4 1HA GLY 4 -3.223 -12.002 -1.581 22 H VAL 5 H VAL 5 -2.930 -11.558 1.000 23 HA VAL 5 HA VAL 5 -4.158 -8.908 1.331 24 HB VAL 5 HB VAL 5 -4.311 -9.210 3.761 25 1HG1 VAL 5 1HG1 VAL 5 -6.046 -11.231 2.284 26 2HG1 VAL 5 2HG1 VAL 5 -6.417 -10.412 3.812 27 3HG1 VAL 5 3HG1 VAL 5 -6.317 -9.477 2.312 28 1HG2 VAL 5 1HG2 VAL 5 -3.856 -12.183 3.230 29 2HG2 VAL 5 2HG2 VAL 5 -2.808 -11.105 4.179 30 3HG2 VAL 5 3HG2 VAL 5 -4.432 -11.483 4.752 31 H LEU 6 H LEU 6 -2.564 -7.429 1.607 32 HA LEU 6 HA LEU 6 0.080 -8.316 2.619 33 1HB LEU 6 2HB LEU 6 0.098 -7.854 0.131 34 2HB LEU 6 3HB LEU 6 -0.488 -6.226 0.485 35 HG LEU 6 HG LEU 6 1.618 -5.886 1.898 36 1HD1 LEU 6 1HD1 LEU 6 2.278 -8.224 2.291 37 2HD1 LEU 6 2HD1 LEU 6 2.418 -8.503 0.542 38 3HD1 LEU 6 3HD1 LEU 6 3.534 -7.396 1.370 39 1HD2 LEU 6 1HD2 LEU 6 3.047 -5.531 -0.099 40 2HD2 LEU 6 2HD2 LEU 6 1.896 -6.487 -1.067 41 3HD2 LEU 6 3HD2 LEU 6 1.392 -4.949 -0.328 42 H GLU 7 H GLU 7 0.957 -6.931 4.136 43 HA GLU 7 HA GLU 7 -0.413 -4.424 4.794 44 1HB GLU 7 2HB GLU 7 -0.873 -6.744 6.327 45 2HB GLU 7 3HB GLU 7 0.414 -5.895 7.205 46 1HG GLU 7 2HG GLU 7 -2.135 -4.569 6.198 47 2HG GLU 7 3HG GLU 7 -1.970 -5.260 7.813 48 H LEU 8 H LEU 8 0.905 -2.915 5.641 49 HA LEU 8 HA LEU 8 3.594 -3.447 6.304 50 1HB LEU 8 2HB LEU 8 4.772 -2.241 4.535 51 2HB LEU 8 3HB LEU 8 4.011 -3.714 3.950 52 HG LEU 8 HG LEU 8 4.023 -2.038 2.317 53 1HD1 LEU 8 1HD1 LEU 8 1.159 -2.542 3.146 54 2HD1 LEU 8 2HD1 LEU 8 1.757 -2.138 1.533 55 3HD1 LEU 8 3HD1 LEU 8 2.210 -3.679 2.280 56 1HD2 LEU 8 1HD2 LEU 8 2.879 0.015 2.375 57 2HD2 LEU 8 2HD2 LEU 8 2.125 -0.336 3.932 58 3HD2 LEU 8 3HD2 LEU 8 3.869 -0.044 3.851 59 H VAL 9 H VAL 9 4.657 -1.582 7.202 60 HA VAL 9 HA VAL 9 2.817 0.529 8.100 61 HB VAL 9 HB VAL 9 5.633 -0.439 8.687 62 1HG1 VAL 9 1HG1 VAL 9 4.617 2.371 9.112 63 2HG1 VAL 9 2HG1 VAL 9 5.915 1.649 10.100 64 3HG1 VAL 9 3HG1 VAL 9 6.142 1.809 8.357 65 1HG2 VAL 9 1HG2 VAL 9 3.586 -1.125 10.037 66 2HG2 VAL 9 2HG2 VAL 9 4.857 -0.302 10.982 67 3HG2 VAL 9 3HG2 VAL 9 3.428 0.595 10.488 68 H VAL 10 H VAL 10 2.392 1.986 6.532 69 HA VAL 10 HA VAL 10 4.474 2.838 4.617 70 HB VAL 10 HB VAL 10 2.767 4.721 4.212 71 1HG1 VAL 10 1HG1 VAL 10 3.214 2.981 2.598 72 2HG1 VAL 10 2HG1 VAL 10 2.047 1.915 3.407 73 3HG1 VAL 10 3HG1 VAL 10 1.493 3.405 2.625 74 1HG2 VAL 10 1HG2 VAL 10 1.382 4.092 6.317 75 2HG2 VAL 10 2HG2 VAL 10 0.505 4.380 4.810 76 3HG2 VAL 10 3HG2 VAL 10 0.795 2.720 5.366 77 H ARG 11 H ARG 11 5.647 4.696 4.909 78 HA ARG 11 HA ARG 11 4.946 6.488 7.170 79 1HB ARG 11 2HB ARG 11 7.886 6.103 6.739 80 2HB ARG 11 3HB ARG 11 6.968 6.661 8.116 81 1HG ARG 11 2HG ARG 11 6.111 4.053 8.034 82 2HG ARG 11 3HG ARG 11 7.719 3.891 7.336 83 1HD ARG 11 2HD ARG 11 7.915 3.551 9.661 84 2HD ARG 11 3HD ARG 11 8.531 5.200 9.398 85 HE ARG 11 HE ARG 11 5.679 5.237 9.940 86 1HH1 ARG 11 2HH2 ARG 11 8.718 4.628 11.609 87 2HH1 ARG 11 1HH2 ARG 11 8.132 5.079 13.183 88 1HH2 ARG 11 2HH1 ARG 11 4.871 5.824 11.903 89 2HH2 ARG 11 1HH1 ARG 11 5.826 5.807 13.374 90 H GLY 12 H GLY 12 6.019 8.694 6.859 91 1HA GLY 12 2HA GLY 12 6.799 10.409 5.485 92 2HA GLY 12 1HA GLY 12 6.759 9.356 4.072 93 H MET 13 H MET 13 4.076 8.441 4.322 94 HA MET 13 HA MET 13 2.560 10.457 3.116 95 1HB MET 13 2HB MET 13 0.788 8.907 3.018 96 2HB MET 13 3HB MET 13 2.303 8.015 2.864 97 1HG MET 13 2HG MET 13 0.391 8.084 5.212 98 2HG MET 13 3HG MET 13 0.769 6.743 4.173 99 1HE MET 13 1HE MET 13 1.118 7.753 7.607 100 2HE MET 13 2HE MET 13 0.594 6.153 7.006 101 3HE MET 13 3HE MET 13 2.049 6.302 8.032 102 H THR 14 H THR 14 2.940 12.228 4.514 103 HA THR 14 HA THR 14 2.334 12.143 7.221 104 HB THR 14 HB THR 14 4.025 13.578 6.187 105 HG1 THR 14 1HG THR 14 2.076 14.641 7.910 106 1HG2 THR 14 1HG2 THR 14 3.430 15.760 5.253 107 2HG2 THR 14 2HG2 THR 14 2.749 14.468 4.254 108 3HG2 THR 14 3HG2 THR 14 1.702 15.383 5.359 109 H CYS 15 H CYS 15 -0.084 12.784 4.743 110 HA CYS 15 HA CYS 15 -1.995 13.524 6.843 111 1HB CYS 15 2HB CYS 15 -2.501 15.713 5.973 112 2HB CYS 15 3HB CYS 15 -0.779 15.650 6.297 113 H ALA 16 H ALA 16 -4.107 14.202 5.748 114 HA ALA 16 HA ALA 16 -5.347 12.153 4.414 115 1HB ALA 16 1HB ALA 16 -7.071 13.800 3.801 116 2HB ALA 16 2HB ALA 16 -6.529 14.002 5.479 117 3HB ALA 16 3HB ALA 16 -5.964 15.123 4.220 118 H SER 17 H SER 17 -3.782 15.041 2.949 119 HA SER 17 HA SER 17 -4.447 14.506 0.274 120 1HB SER 17 2HB SER 17 -2.016 16.009 1.286 121 2HB SER 17 3HB SER 17 -2.858 16.206 -0.261 122 HG SER 17 HG SER 17 -4.743 16.789 0.998 123 H CYS 18 H CYS 18 -1.874 13.131 2.315 124 HA CYS 18 HA CYS 18 -0.543 11.844 0.022 125 1HB CYS 18 2HB CYS 18 -0.234 11.312 2.989 126 2HB CYS 18 3HB CYS 18 0.717 10.664 1.655 127 H VAL 19 H VAL 19 -2.568 10.904 2.819 128 HA VAL 19 HA VAL 19 -2.883 8.207 2.374 129 HB VAL 19 HB VAL 19 -4.782 10.297 3.439 130 1HG1 VAL 19 1HG1 VAL 19 -6.304 8.536 2.725 131 2HG1 VAL 19 2HG1 VAL 19 -5.310 7.318 3.541 132 3HG1 VAL 19 3HG1 VAL 19 -6.152 8.554 4.480 133 1HG2 VAL 19 1HG2 VAL 19 -2.688 9.787 4.707 134 2HG2 VAL 19 2HG2 VAL 19 -4.154 9.365 5.608 135 3HG2 VAL 19 3HG2 VAL 19 -3.196 8.094 4.820 136 H HIS 20 H HIS 20 -5.226 10.648 1.058 137 HA HIS 20 HA HIS 20 -6.555 8.560 -0.388 138 1HB HIS 20 2HB HIS 20 -8.046 10.084 -1.176 139 2HB HIS 20 3HB HIS 20 -7.580 10.739 0.391 140 HD1 HIS 20 1HD HIS 20 -8.708 12.257 -2.408 141 HD2 HIS 20 2HD HIS 20 -4.907 12.322 -0.629 142 HE1 HIS 20 1HE HIS 20 -7.566 14.397 -3.201 143 H LYS 21 H LYS 21 -3.766 10.513 -1.206 144 HA LYS 21 HA LYS 21 -3.896 10.190 -4.081 145 1HB LYS 21 2HB LYS 21 -2.611 11.954 -2.935 146 2HB LYS 21 3HB LYS 21 -1.551 10.726 -2.221 147 1HG LYS 21 2HG LYS 21 -1.076 10.061 -4.722 148 2HG LYS 21 3HG LYS 21 -1.714 11.670 -5.079 149 1HD LYS 21 2HD LYS 21 0.605 10.952 -3.217 150 2HD LYS 21 3HD LYS 21 0.749 11.691 -4.819 151 1HE LYS 21 2HE LYS 21 -0.404 13.733 -4.002 152 2HE LYS 21 3HE LYS 21 -0.636 12.996 -2.411 153 1HZ LYS 21 1HZ LYS 21 1.713 12.926 -2.106 154 2HZ LYS 21 2HZ LYS 21 1.983 13.614 -3.579 155 3HZ LYS 21 3HZ LYS 21 1.209 14.457 -2.396 156 H ILE 22 H ILE 22 -2.252 8.514 -1.343 157 HA ILE 22 HA ILE 22 -1.108 6.401 -2.880 158 HB ILE 22 HB ILE 22 -2.063 6.420 0.005 159 1HG1 ILE 22 2HG1 ILE 22 0.656 6.762 -1.349 160 2HG1 ILE 22 3HG1 ILE 22 -0.253 8.000 -0.468 161 1HG2 ILE 22 1HG2 ILE 22 -0.766 4.369 0.303 162 2HG2 ILE 22 2HG2 ILE 22 -1.985 4.086 -0.921 163 3HG2 ILE 22 3HG2 ILE 22 -0.298 4.379 -1.410 164 1HD1 ILE 22 1HD1 ILE 22 -0.064 6.558 1.596 165 2HD1 ILE 22 2HD1 ILE 22 1.086 5.538 0.680 166 3HD1 ILE 22 3HD1 ILE 22 1.449 7.240 0.967 167 H GLU 23 H GLU 23 -4.231 6.350 -1.011 168 HA GLU 23 HA GLU 23 -4.969 3.847 -1.948 169 1HB GLU 23 2HB GLU 23 -6.783 6.167 -1.151 170 2HB GLU 23 3HB GLU 23 -7.325 4.497 -1.378 171 1HG GLU 23 2HG GLU 23 -5.595 3.751 0.299 172 2HG GLU 23 3HG GLU 23 -5.252 5.461 0.616 173 H SER 24 H SER 24 -5.874 6.977 -3.407 174 HA SER 24 HA SER 24 -7.370 6.032 -5.592 175 1HB SER 24 2HB SER 24 -7.268 8.382 -4.862 176 2HB SER 24 3HB SER 24 -5.588 8.496 -5.419 177 HG SER 24 HG SER 24 -7.850 7.887 -7.041 178 H SER 25 H SER 25 -3.796 6.491 -5.271 179 HA SER 25 HA SER 25 -3.339 6.124 -8.107 180 1HB SER 25 2HB SER 25 -0.977 6.045 -7.499 181 2HB SER 25 3HB SER 25 -1.782 7.418 -6.700 182 HG SER 25 HG SER 25 -1.933 6.050 -4.831 183 H LEU 26 H LEU 26 -3.262 4.087 -5.231 184 HA LEU 26 HA LEU 26 -2.240 1.748 -6.540 185 1HB LEU 26 2HB LEU 26 -3.336 2.481 -3.834 186 2HB LEU 26 3HB LEU 26 -3.337 0.800 -4.311 187 HG LEU 26 HG LEU 26 -0.913 0.839 -4.730 188 1HD1 LEU 26 1HD1 LEU 26 0.484 2.712 -4.021 189 2HD1 LEU 26 2HD1 LEU 26 -0.587 3.213 -5.335 190 3HD1 LEU 26 3HD1 LEU 26 -0.949 3.684 -3.662 191 1HD2 LEU 26 1HD2 LEU 26 -0.218 1.027 -2.368 192 2HD2 LEU 26 2HD2 LEU 26 -1.709 1.917 -1.992 193 3HD2 LEU 26 3HD2 LEU 26 -1.793 0.223 -2.507 194 H THR 27 H THR 27 -5.582 2.747 -5.607 195 HA THR 27 HA THR 27 -6.707 0.295 -6.632 196 HB THR 27 HB THR 27 -7.570 1.562 -4.740 197 HG1 THR 27 1HG THR 27 -9.704 1.018 -5.266 198 1HG2 THR 27 1HG2 THR 27 -9.203 3.259 -6.644 199 2HG2 THR 27 2HG2 THR 27 -8.931 3.459 -4.904 200 3HG2 THR 27 3HG2 THR 27 -7.636 3.834 -6.062 201 H LYS 28 H LYS 28 -5.509 0.544 -8.509 202 HA LYS 28 HA LYS 28 -7.085 0.963 -10.852 203 1HB LYS 28 2HB LYS 28 -5.933 2.702 -11.994 204 2HB LYS 28 3HB LYS 28 -6.387 3.327 -10.421 205 1HG LYS 28 2HG LYS 28 -4.273 4.014 -10.251 206 2HG LYS 28 3HG LYS 28 -3.897 2.322 -9.899 207 1HD LYS 28 2HD LYS 28 -3.814 2.241 -12.640 208 2HD LYS 28 3HD LYS 28 -3.443 3.949 -12.410 209 1HE LYS 28 2HE LYS 28 -1.964 1.490 -11.410 210 2HE LYS 28 3HE LYS 28 -1.360 2.672 -12.563 211 1HZ LYS 28 1HZ LYS 28 -0.584 2.741 -10.136 212 2HZ LYS 28 2HZ LYS 28 -0.974 4.197 -10.851 213 3HZ LYS 28 3HZ LYS 28 -1.993 3.446 -9.792 214 H HIS 29 H HIS 29 -3.962 -0.009 -9.354 215 HA HIS 29 HA HIS 29 -2.697 -1.073 -11.607 216 1HB HIS 29 2HB HIS 29 -2.728 -1.881 -8.677 217 2HB HIS 29 3HB HIS 29 -1.680 -2.631 -9.879 218 HD1 HIS 29 1HD HIS 29 0.682 -1.567 -9.985 219 HD2 HIS 29 2HD HIS 29 -2.342 1.056 -8.741 220 HE1 HIS 29 1HE HIS 29 1.790 0.682 -9.503 221 H ARG 30 H ARG 30 -5.655 -2.210 -10.236 222 HA ARG 30 HA ARG 30 -6.991 -3.970 -10.619 223 1HB ARG 30 2HB ARG 30 -5.021 -4.754 -12.814 224 2HB ARG 30 3HB ARG 30 -6.311 -5.800 -12.266 225 1HG ARG 30 2HG ARG 30 -6.979 -4.602 -14.224 226 2HG ARG 30 3HG ARG 30 -8.023 -4.206 -12.849 227 1HD ARG 30 2HD ARG 30 -6.968 -2.059 -12.569 228 2HD ARG 30 3HD ARG 30 -5.684 -2.469 -13.741 229 HE ARG 30 HE ARG 30 -8.213 -2.719 -15.008 230 1HH1 ARG 30 2HH2 ARG 30 -6.139 -0.187 -13.675 231 2HH1 ARG 30 1HH2 ARG 30 -6.648 1.042 -14.797 232 1HH2 ARG 30 2HH1 ARG 30 -8.936 -1.103 -16.494 233 2HH2 ARG 30 1HH1 ARG 30 -8.299 0.507 -16.421 234 H GLY 31 H GLY 31 -3.568 -5.095 -10.602 235 1HA GLY 31 2HA GLY 31 -3.999 -7.473 -9.194 236 2HA GLY 31 1HA GLY 31 -2.493 -6.531 -9.130 237 H ILE 32 H ILE 32 -3.835 -4.171 -7.952 238 HA ILE 32 HA ILE 32 -4.175 -4.984 -5.147 239 HB ILE 32 HB ILE 32 -4.406 -2.290 -6.550 240 1HG1 ILE 32 2HG1 ILE 32 -2.124 -3.658 -5.049 241 2HG1 ILE 32 3HG1 ILE 32 -2.167 -3.182 -6.761 242 1HG2 ILE 32 1HG2 ILE 32 -4.353 -1.315 -4.337 243 2HG2 ILE 32 2HG2 ILE 32 -5.650 -2.499 -4.345 244 3HG2 ILE 32 3HG2 ILE 32 -4.091 -2.895 -3.587 245 1HD1 ILE 32 1HD1 ILE 32 -2.454 -0.817 -6.030 246 2HD1 ILE 32 2HD1 ILE 32 -2.097 -1.363 -4.365 247 3HD1 ILE 32 3HD1 ILE 32 -0.880 -1.539 -5.656 248 H LEU 33 H LEU 33 -6.073 -6.079 -4.854 249 HA LEU 33 HA LEU 33 -8.492 -5.438 -6.373 250 1HB LEU 33 2HB LEU 33 -8.114 -7.229 -3.943 251 2HB LEU 33 3HB LEU 33 -9.488 -7.222 -5.045 252 HG LEU 33 HG LEU 33 -6.631 -7.986 -5.843 253 1HD1 LEU 33 1HD1 LEU 33 -7.561 -9.586 -4.243 254 2HD1 LEU 33 2HD1 LEU 33 -9.041 -9.737 -5.220 255 3HD1 LEU 33 3HD1 LEU 33 -7.482 -10.290 -5.869 256 1HD2 LEU 33 1HD2 LEU 33 -7.970 -7.162 -7.759 257 2HD2 LEU 33 2HD2 LEU 33 -7.719 -8.906 -7.868 258 3HD2 LEU 33 3HD2 LEU 33 -9.288 -8.272 -7.325 259 H TYR 34 H TYR 34 -6.990 -4.501 -3.311 260 HA TYR 34 HA TYR 34 -8.973 -2.471 -2.953 261 1HB TYR 34 2HB TYR 34 -10.093 -4.477 -1.828 262 2HB TYR 34 3HB TYR 34 -8.703 -4.542 -0.737 263 HD1 TYR 34 HD1 TYR 34 -9.014 -3.596 1.372 264 HD2 TYR 34 HD2 TYR 34 -11.160 -1.971 -2.000 265 HE1 TYR 34 HE1 TYR 34 -10.218 -2.055 2.878 266 HE2 TYR 34 HE2 TYR 34 -12.253 -0.325 -0.499 267 HH TYR 34 HH TYR 34 -11.687 -0.265 3.026 268 H CYS 35 H CYS 35 -8.290 -0.968 -1.285 269 HA CYS 35 HA CYS 35 -5.622 -1.306 -0.091 270 1HB CYS 35 2HB CYS 35 -4.912 0.893 -0.817 271 2HB CYS 35 3HB CYS 35 -5.247 -0.117 -2.237 272 HG CYS 35 HG CYS 35 -6.034 2.270 -2.788 273 H SER 36 H SER 36 -5.643 -0.521 1.945 274 HA SER 36 HA SER 36 -7.495 1.653 2.699 275 1HB SER 36 2HB SER 36 -8.792 -0.217 3.356 276 2HB SER 36 3HB SER 36 -7.401 -1.043 4.074 277 HG SER 36 HG SER 36 -8.622 1.383 4.945 278 H VAL 37 H VAL 37 -5.875 3.101 3.063 279 HA VAL 37 HA VAL 37 -3.469 2.240 4.600 280 HB VAL 37 HB VAL 37 -3.319 3.270 2.235 281 1HG1 VAL 37 1HG1 VAL 37 -3.568 5.863 3.795 282 2HG1 VAL 37 2HG1 VAL 37 -3.362 5.646 2.048 283 3HG1 VAL 37 3HG1 VAL 37 -4.892 5.188 2.828 284 1HG2 VAL 37 1HG2 VAL 37 -1.725 4.489 4.512 285 2HG2 VAL 37 2HG2 VAL 37 -1.395 2.941 3.701 286 3HG2 VAL 37 3HG2 VAL 37 -1.257 4.456 2.796 287 H ALA 38 H ALA 38 -2.742 3.520 6.394 288 HA ALA 38 HA ALA 38 -4.382 5.833 7.127 289 1HB ALA 38 1HB ALA 38 -4.266 3.467 9.023 290 2HB ALA 38 2HB ALA 38 -4.904 5.071 9.396 291 3HB ALA 38 3HB ALA 38 -5.729 4.060 8.188 292 H LEU 39 H LEU 39 -3.043 7.325 7.818 293 HA LEU 39 HA LEU 39 -0.458 6.801 9.015 294 1HB LEU 39 2HB LEU 39 -0.322 9.177 9.341 295 2HB LEU 39 3HB LEU 39 -0.941 8.828 7.732 296 HG LEU 39 HG LEU 39 -3.323 9.207 8.871 297 1HD1 LEU 39 1HD1 LEU 39 -3.227 11.013 10.563 298 2HD1 LEU 39 2HD1 LEU 39 -2.455 9.569 11.216 299 3HD1 LEU 39 3HD1 LEU 39 -1.459 10.901 10.614 300 1HD2 LEU 39 1HD2 LEU 39 -3.158 11.577 8.199 301 2HD2 LEU 39 2HD2 LEU 39 -1.385 11.453 8.184 302 3HD2 LEU 39 3HD2 LEU 39 -2.353 10.529 7.020 303 H ALA 40 H ALA 40 -3.765 7.023 10.165 304 HA ALA 40 HA ALA 40 -3.314 7.659 12.866 305 1HB ALA 40 1HB ALA 40 -5.438 6.498 13.307 306 2HB ALA 40 2HB ALA 40 -5.556 7.502 11.849 307 3HB ALA 40 3HB ALA 40 -5.385 5.739 11.704 308 H THR 41 H THR 41 -3.394 4.403 11.305 309 HA THR 41 HA THR 41 -2.205 3.133 13.634 310 HB THR 41 HB THR 41 -2.172 1.658 11.116 311 HG1 THR 41 1HG THR 41 -4.651 2.669 12.064 312 1HG2 THR 41 1HG2 THR 41 -3.665 1.199 13.727 313 2HG2 THR 41 2HG2 THR 41 -3.451 0.024 12.411 314 3HG2 THR 41 3HG2 THR 41 -2.041 0.597 13.322 315 H ASN 42 H ASN 42 -1.205 4.369 10.477 316 HA ASN 42 HA ASN 42 0.673 4.325 9.228 317 1HB ASN 42 2HB ASN 42 2.163 3.508 11.758 318 2HB ASN 42 3HB ASN 42 2.830 3.363 10.143 319 1HD2 ASN 42 1HD2 ASN 42 0.680 6.070 11.151 320 2HD2 ASN 42 2HD2 ASN 42 1.892 7.271 10.872 321 H LYS 43 H LYS 43 -0.885 2.848 8.276 322 HA LYS 43 HA LYS 43 0.348 0.200 7.976 323 1HB LYS 43 2HB LYS 43 -1.671 -1.066 8.394 324 2HB LYS 43 3HB LYS 43 -1.187 -0.188 9.823 325 1HG LYS 43 2HG LYS 43 -3.448 0.156 9.834 326 2HG LYS 43 3HG LYS 43 -2.927 1.620 8.974 327 1HD LYS 43 2HD LYS 43 -3.596 0.640 6.842 328 2HD LYS 43 3HD LYS 43 -3.825 -0.952 7.600 329 1HE LYS 43 2HE LYS 43 -5.720 0.078 8.948 330 2HE LYS 43 3HE LYS 43 -5.452 1.587 8.063 331 1HZ LYS 43 1HZ LYS 43 -7.149 0.436 6.843 332 2HZ LYS 43 2HZ LYS 43 -5.790 0.198 6.011 333 3HZ LYS 43 3HZ LYS 43 -6.356 -0.999 6.969 334 H ALA 44 H ALA 44 -0.585 -0.980 6.132 335 HA ALA 44 HA ALA 44 -2.459 0.438 4.399 336 1HB ALA 44 1HB ALA 44 0.090 -0.469 3.088 337 2HB ALA 44 2HB ALA 44 -1.204 0.571 2.480 338 3HB ALA 44 3HB ALA 44 -0.080 1.180 3.711 339 H HIS 45 H HIS 45 -3.927 -1.116 4.707 340 HA HIS 45 HA HIS 45 -3.218 -3.981 4.196 341 1HB HIS 45 2HB HIS 45 -4.833 -3.330 5.983 342 2HB HIS 45 3HB HIS 45 -5.912 -2.708 4.724 343 HD1 HIS 45 1HD HIS 45 -5.439 -5.766 6.644 344 HD2 HIS 45 2HD HIS 45 -6.089 -4.802 2.619 345 HE1 HIS 45 1HE HIS 45 -6.390 -7.869 5.550 346 H ILE 46 H ILE 46 -2.621 -4.253 2.207 347 HA ILE 46 HA ILE 46 -4.284 -3.191 -0.037 348 HB ILE 46 HB ILE 46 -1.334 -3.797 0.216 349 1HG1 ILE 46 2HG1 ILE 46 -1.196 -1.814 -1.299 350 2HG1 ILE 46 3HG1 ILE 46 -2.958 -1.641 -1.226 351 1HG2 ILE 46 1HG2 ILE 46 -3.038 -4.248 -2.243 352 2HG2 ILE 46 2HG2 ILE 46 -1.346 -3.752 -2.375 353 3HG2 ILE 46 3HG2 ILE 46 -1.753 -5.249 -1.538 354 1HD1 ILE 46 1HD1 ILE 46 -2.800 -1.146 1.175 355 2HD1 ILE 46 2HD1 ILE 46 -1.069 -1.579 1.161 356 3HD1 ILE 46 3HD1 ILE 46 -1.644 -0.134 0.294 357 H LYS 47 H LYS 47 -5.674 -4.706 -0.717 358 HA LYS 47 HA LYS 47 -5.096 -7.600 -0.230 359 1HB LYS 47 2HB LYS 47 -7.486 -6.209 -1.422 360 2HB LYS 47 3HB LYS 47 -7.277 -7.964 -1.205 361 1HG LYS 47 2HG LYS 47 -6.923 -7.517 1.260 362 2HG LYS 47 3HG LYS 47 -7.443 -5.847 0.973 363 1HD LYS 47 2HD LYS 47 -9.612 -6.688 0.083 364 2HD LYS 47 3HD LYS 47 -9.061 -8.359 0.344 365 1HE LYS 47 2HE LYS 47 -8.826 -7.904 2.787 366 2HE LYS 47 3HE LYS 47 -9.399 -6.248 2.538 367 1HZ LYS 47 1HZ LYS 47 -11.491 -7.165 1.772 368 2HZ LYS 47 2HZ LYS 47 -10.947 -8.701 2.006 369 3HZ LYS 47 3HZ LYS 47 -11.146 -7.695 3.289 370 H TYR 48 H TYR 48 -3.107 -7.274 -1.482 371 HA TYR 48 HA TYR 48 -3.288 -6.943 -4.344 372 1HB TYR 48 2HB TYR 48 -1.093 -7.669 -4.493 373 2HB TYR 48 3HB TYR 48 -1.173 -6.676 -3.054 374 HD1 TYR 48 HD1 TYR 48 -2.358 -9.219 -1.309 375 HD2 TYR 48 HD2 TYR 48 1.084 -8.430 -3.802 376 HE1 TYR 48 HE1 TYR 48 -1.126 -11.021 -0.193 377 HE2 TYR 48 HE2 TYR 48 2.333 -10.192 -2.579 378 HH TYR 48 HH TYR 48 0.884 -12.076 0.070 379 H ASP 49 H ASP 49 -3.065 -8.652 -5.950 380 HA ASP 49 HA ASP 49 -3.096 -11.414 -4.830 381 1HB ASP 49 2HB ASP 49 -4.806 -11.406 -6.482 382 2HB ASP 49 3HB ASP 49 -3.800 -10.513 -7.622 383 HA PRO 50 HA PRO 50 1.193 -10.720 -5.266 384 1HB PRO 50 2HB PRO 50 2.227 -13.272 -5.218 385 2HB PRO 50 3HB PRO 50 1.536 -12.438 -3.799 386 1HG PRO 50 2HG PRO 50 0.131 -14.376 -5.656 387 2HG PRO 50 3HG PRO 50 0.176 -14.415 -3.866 388 1HD PRO 50 2HD PRO 50 -1.909 -13.347 -5.156 389 2HD PRO 50 3HD PRO 50 -1.260 -12.505 -3.723 390 H GLU 51 H GLU 51 -0.353 -12.752 -7.853 391 HA GLU 51 HA GLU 51 2.268 -12.773 -9.263 392 1HB GLU 51 2HB GLU 51 1.221 -14.062 -10.987 393 2HB GLU 51 3HB GLU 51 1.147 -14.837 -9.406 394 1HG GLU 51 2HG GLU 51 -1.212 -14.437 -9.219 395 2HG GLU 51 3HG GLU 51 -1.221 -13.377 -10.643 396 H ILE 52 H ILE 52 -0.975 -11.323 -9.567 397 HA ILE 52 HA ILE 52 -0.160 -9.841 -11.935 398 HB ILE 52 HB ILE 52 -2.400 -10.412 -11.887 399 1HG1 ILE 52 2HG1 ILE 52 -3.656 -8.279 -11.959 400 2HG1 ILE 52 3HG1 ILE 52 -2.265 -7.427 -11.290 401 1HG2 ILE 52 1HG2 ILE 52 -2.525 -9.239 -9.116 402 2HG2 ILE 52 2HG2 ILE 52 -3.983 -9.570 -10.096 403 3HG2 ILE 52 3HG2 ILE 52 -2.903 -10.884 -9.688 404 1HD1 ILE 52 1HD1 ILE 52 -2.403 -7.224 -13.738 405 2HD1 ILE 52 2HD1 ILE 52 -0.930 -8.103 -13.290 406 3HD1 ILE 52 3HD1 ILE 52 -2.339 -8.993 -13.906 407 H ILE 53 H ILE 53 0.123 -9.149 -8.421 408 HA ILE 53 HA ILE 53 1.954 -7.103 -9.315 409 HB ILE 53 HB ILE 53 -0.216 -5.853 -9.050 410 1HG1 ILE 53 2HG1 ILE 53 1.889 -4.981 -7.063 411 2HG1 ILE 53 3HG1 ILE 53 2.132 -4.917 -8.833 412 1HG2 ILE 53 1HG2 ILE 53 0.222 -6.232 -6.057 413 2HG2 ILE 53 2HG2 ILE 53 -1.092 -5.358 -6.843 414 3HG2 ILE 53 3HG2 ILE 53 -1.015 -7.122 -6.980 415 1HD1 ILE 53 1HD1 ILE 53 1.475 -2.750 -8.034 416 2HD1 ILE 53 2HD1 ILE 53 0.204 -3.455 -9.058 417 3HD1 ILE 53 3HD1 ILE 53 0.013 -3.407 -7.286 418 H GLY 54 H GLY 54 3.831 -7.287 -8.167 419 1HA GLY 54 2HA GLY 54 3.851 -9.193 -5.945 420 2HA GLY 54 1HA GLY 54 5.227 -8.347 -6.669 421 HA PRO 55 HA PRO 55 3.658 -6.146 -2.674 422 1HB PRO 55 2HB PRO 55 5.647 -6.907 -0.933 423 2HB PRO 55 3HB PRO 55 4.123 -7.814 -1.145 424 1HG PRO 55 2HG PRO 55 6.803 -8.424 -2.391 425 2HG PRO 55 3HG PRO 55 5.665 -9.551 -1.607 426 1HD PRO 55 2HD PRO 55 5.783 -9.234 -4.326 427 2HD PRO 55 3HD PRO 55 4.247 -9.579 -3.499 428 H ARG 56 H ARG 56 6.848 -6.966 -3.967 429 HA ARG 56 HA ARG 56 8.368 -4.709 -3.653 430 1HB ARG 56 2HB ARG 56 9.551 -5.399 -5.616 431 2HB ARG 56 3HB ARG 56 8.961 -6.878 -4.843 432 1HG ARG 56 2HG ARG 56 6.935 -6.714 -6.432 433 2HG ARG 56 3HG ARG 56 7.847 -5.425 -7.260 434 1HD ARG 56 2HD ARG 56 9.602 -7.041 -7.808 435 2HD ARG 56 3HD ARG 56 8.553 -8.344 -7.175 436 HE ARG 56 HE ARG 56 6.796 -7.000 -8.728 437 1HH1 ARG 56 2HH2 ARG 56 9.840 -8.412 -9.704 438 2HH1 ARG 56 1HH2 ARG 56 9.782 -7.797 -11.334 439 1HH2 ARG 56 2HH1 ARG 56 6.892 -5.839 -10.629 440 2HH2 ARG 56 1HH1 ARG 56 7.862 -6.427 -11.964 441 H ASP 57 H ASP 57 5.661 -5.142 -6.024 442 HA ASP 57 HA ASP 57 6.334 -2.750 -7.498 443 1HB ASP 57 2HB ASP 57 3.908 -4.525 -7.508 444 2HB ASP 57 3HB ASP 57 4.249 -3.276 -8.719 445 H ILE 58 H ILE 58 3.856 -3.695 -5.128 446 HA ILE 58 HA ILE 58 2.483 -1.190 -4.933 447 HB ILE 58 HB ILE 58 2.940 -3.486 -3.001 448 1HG1 ILE 58 2HG1 ILE 58 0.259 -2.674 -3.997 449 2HG1 ILE 58 3HG1 ILE 58 1.353 -3.339 -5.215 450 1HG2 ILE 58 1HG2 ILE 58 1.260 -1.003 -2.512 451 2HG2 ILE 58 2HG2 ILE 58 1.155 -2.511 -1.577 452 3HG2 ILE 58 3HG2 ILE 58 2.642 -1.567 -1.547 453 1HD1 ILE 58 1HD1 ILE 58 0.744 -4.737 -2.591 454 2HD1 ILE 58 2HD1 ILE 58 -0.061 -5.051 -4.141 455 3HD1 ILE 58 3HD1 ILE 58 1.676 -5.374 -3.964 456 H ILE 59 H ILE 59 5.333 -2.477 -3.114 457 HA ILE 59 HA ILE 59 5.851 -0.114 -1.647 458 HB ILE 59 HB ILE 59 7.631 -2.365 -2.608 459 1HG1 ILE 59 2HG1 ILE 59 6.703 -1.732 0.219 460 2HG1 ILE 59 3HG1 ILE 59 5.672 -2.653 -0.876 461 1HG2 ILE 59 1HG2 ILE 59 9.079 -0.459 -2.279 462 2HG2 ILE 59 2HG2 ILE 59 8.288 -0.063 -0.735 463 3HG2 ILE 59 3HG2 ILE 59 9.265 -1.539 -0.899 464 1HD1 ILE 59 1HD1 ILE 59 8.473 -3.467 -0.025 465 2HD1 ILE 59 2HD1 ILE 59 6.932 -4.196 0.467 466 3HD1 ILE 59 3HD1 ILE 59 7.462 -4.309 -1.223 467 H HIS 60 H HIS 60 7.251 -1.083 -4.847 468 HA HIS 60 HA HIS 60 8.721 1.221 -5.371 469 1HB HIS 60 2HB HIS 60 7.075 -0.305 -7.424 470 2HB HIS 60 3HB HIS 60 8.448 0.746 -7.742 471 HD1 HIS 60 1HD HIS 60 8.250 -2.379 -8.571 472 HD2 HIS 60 2HD HIS 60 10.311 -0.697 -5.304 473 HE1 HIS 60 1HE HIS 60 10.108 -4.011 -7.956 474 H THR 61 H THR 61 5.209 0.716 -5.729 475 HA THR 61 HA THR 61 4.722 3.178 -7.149 476 HB THR 61 HB THR 61 2.782 1.576 -5.423 477 HG1 THR 61 1HG THR 61 3.807 0.339 -7.078 478 1HG2 THR 61 1HG2 THR 61 2.343 3.506 -7.741 479 2HG2 THR 61 2HG2 THR 61 1.096 2.521 -6.951 480 3HG2 THR 61 3HG2 THR 61 1.913 3.798 -6.039 481 H ILE 62 H ILE 62 4.492 2.212 -3.713 482 HA ILE 62 HA ILE 62 3.691 4.709 -2.624 483 HB ILE 62 HB ILE 62 5.150 2.277 -1.570 484 1HG1 ILE 62 2HG1 ILE 62 2.387 3.365 -0.914 485 2HG1 ILE 62 3HG1 ILE 62 2.664 2.286 -2.289 486 1HG2 ILE 62 1HG2 ILE 62 4.088 4.568 0.122 487 2HG2 ILE 62 2HG2 ILE 62 4.836 3.090 0.709 488 3HG2 ILE 62 3HG2 ILE 62 5.831 4.238 -0.155 489 1HD1 ILE 62 1HD1 ILE 62 1.901 0.947 -0.464 490 2HD1 ILE 62 2HD1 ILE 62 3.619 0.579 -0.721 491 3HD1 ILE 62 3HD1 ILE 62 3.116 1.618 0.631 492 H GLU 63 H GLU 63 7.003 3.363 -3.092 493 HA GLU 63 HA GLU 63 8.486 5.625 -2.242 494 1HB GLU 63 2HB GLU 63 9.083 3.550 -4.400 495 2HB GLU 63 3HB GLU 63 10.243 4.733 -3.786 496 1HG GLU 63 2HG GLU 63 10.077 3.794 -1.529 497 2HG GLU 63 3HG GLU 63 8.880 2.612 -2.073 498 H SER 64 H SER 64 7.480 4.737 -5.545 499 HA SER 64 HA SER 64 8.459 6.928 -6.931 500 1HB SER 64 2HB SER 64 7.551 4.872 -7.947 501 2HB SER 64 3HB SER 64 5.904 5.369 -7.504 502 HG SER 64 HG SER 64 6.532 5.898 -9.684 503 H LEU 65 H LEU 65 5.251 6.639 -5.307 504 HA LEU 65 HA LEU 65 4.395 9.302 -5.909 505 1HB LEU 65 2HB LEU 65 3.645 7.188 -3.890 506 2HB LEU 65 3HB LEU 65 3.237 8.866 -3.520 507 HG LEU 65 HG LEU 65 2.116 9.137 -5.659 508 1HD1 LEU 65 1HD1 LEU 65 1.456 7.171 -6.998 509 2HD1 LEU 65 2HD1 LEU 65 3.216 7.354 -7.004 510 3HD1 LEU 65 3HD1 LEU 65 2.451 6.126 -5.971 511 1HD2 LEU 65 1HD2 LEU 65 1.058 6.808 -4.008 512 2HD2 LEU 65 2HD2 LEU 65 0.895 8.523 -3.574 513 3HD2 LEU 65 3HD2 LEU 65 0.106 7.913 -5.028 514 H GLY 66 H GLY 66 5.605 8.181 -2.710 515 1HA GLY 66 2HA GLY 66 7.516 10.377 -2.643 516 2HA GLY 66 1HA GLY 66 6.103 10.727 -1.643 517 H PHE 67 H PHE 67 6.714 7.331 -1.385 518 HA PHE 67 HA PHE 67 7.195 8.222 1.432 519 1HB PHE 67 2HB PHE 67 5.145 6.394 0.235 520 2HB PHE 67 3HB PHE 67 5.147 6.956 1.898 521 HD1 PHE 67 1HD PHE 67 5.495 9.840 1.737 522 HD2 PHE 67 2HD PHE 67 3.370 7.249 -0.982 523 HE1 PHE 67 1HE PHE 67 3.937 11.683 1.193 524 HE2 PHE 67 2HE PHE 67 1.777 9.078 -1.464 525 HZ PHE 67 HZ PHE 67 2.020 11.270 -0.335 526 H GLU 68 H GLU 68 7.024 6.295 2.959 527 HA GLU 68 HA GLU 68 9.156 4.342 2.242 528 1HB GLU 68 2HB GLU 68 9.103 6.010 4.333 529 2HB GLU 68 3HB GLU 68 7.973 4.805 4.980 530 1HG GLU 68 2HG GLU 68 10.825 4.268 4.090 531 2HG GLU 68 3HG GLU 68 10.302 4.513 5.763 532 H ALA 69 H ALA 69 8.664 2.093 2.792 533 HA ALA 69 HA ALA 69 6.218 1.480 3.989 534 1HB ALA 69 1HB ALA 69 5.061 1.370 1.972 535 2HB ALA 69 2HB ALA 69 6.454 0.688 1.074 536 3HB ALA 69 3HB ALA 69 5.568 -0.300 2.261 537 H SER 70 H SER 70 6.672 -0.048 5.345 538 HA SER 70 HA SER 70 8.790 -2.090 4.758 539 1HB SER 70 2HB SER 70 9.257 -1.779 7.302 540 2HB SER 70 3HB SER 70 9.898 -0.600 6.137 541 HG SER 70 HG SER 70 8.504 0.884 6.741 542 H LEU 71 H LEU 71 8.000 -4.117 4.891 543 HA LEU 71 HA LEU 71 5.300 -4.677 5.355 544 1HB LEU 71 2HB LEU 71 5.864 -6.991 5.159 545 2HB LEU 71 3HB LEU 71 6.749 -6.012 3.999 546 HG LEU 71 HG LEU 71 8.616 -6.129 6.017 547 1HD1 LEU 71 1HD1 LEU 71 7.167 -7.701 7.368 548 2HD1 LEU 71 2HD1 LEU 71 7.208 -8.841 6.016 549 3HD1 LEU 71 3HD1 LEU 71 8.704 -8.422 6.873 550 1HD2 LEU 71 1HD2 LEU 71 8.185 -8.172 3.802 551 2HD2 LEU 71 2HD2 LEU 71 9.018 -6.610 3.646 552 3HD2 LEU 71 3HD2 LEU 71 9.707 -7.880 4.670 553 H VAL 72 H VAL 72 7.899 -4.980 7.757 554 HA VAL 72 HA VAL 72 7.862 -5.251 9.991 555 HB VAL 72 HB VAL 72 5.053 -4.096 9.704 556 1HG1 VAL 72 1HG1 VAL 72 6.619 -4.645 12.245 557 2HG1 VAL 72 2HG1 VAL 72 5.200 -3.581 12.108 558 3HG1 VAL 72 3HG1 VAL 72 5.026 -5.302 11.792 559 1HG2 VAL 72 1HG2 VAL 72 6.158 -2.079 10.517 560 2HG2 VAL 72 2HG2 VAL 72 7.714 -2.923 10.613 561 3HG2 VAL 72 3HG2 VAL 72 6.941 -2.639 9.041 562 H LYS 73 H LYS 73 4.555 -6.290 9.194 563 HA LYS 73 HA LYS 73 3.349 -8.070 9.925 564 1HB LYS 73 2HB LYS 73 4.707 -8.630 7.764 565 2HB LYS 73 3HB LYS 73 5.654 -9.686 8.815 566 1HG LYS 73 2HG LYS 73 4.008 -11.131 7.976 567 2HG LYS 73 3HG LYS 73 3.333 -10.669 9.538 568 1HD LYS 73 2HD LYS 73 2.201 -8.697 8.090 569 2HD LYS 73 3HD LYS 73 2.530 -9.772 6.736 570 1HE LYS 73 2HE LYS 73 0.892 -10.376 9.250 571 2HE LYS 73 3HE LYS 73 0.229 -10.086 7.637 572 1HZ LYS 73 1HZ LYS 73 1.986 -12.351 8.382 573 2HZ LYS 73 2HZ LYS 73 0.427 -12.438 8.416 574 3HZ LYS 73 3HZ LYS 73 1.172 -12.196 6.934 575 H ILE 74 H ILE 74 4.231 -7.232 12.181 576 HA ILE 74 HA ILE 74 5.530 -9.261 13.795 577 HB ILE 74 HB ILE 74 5.480 -6.868 14.336 578 1HG1 ILE 74 2HG1 ILE 74 5.992 -8.392 16.095 579 2HG1 ILE 74 3HG1 ILE 74 5.082 -7.008 16.701 580 1HG2 ILE 74 1HG2 ILE 74 3.562 -5.745 15.290 581 2HG2 ILE 74 2HG2 ILE 74 3.241 -6.210 13.619 582 3HG2 ILE 74 3HG2 ILE 74 2.514 -7.126 14.945 583 1HD1 ILE 74 1HD1 ILE 74 2.993 -8.497 16.623 584 2HD1 ILE 74 2HD1 ILE 74 4.106 -9.855 16.338 585 3HD1 ILE 74 3HD1 ILE 74 4.229 -8.914 17.826 586 H GLU 75 H GLU 75 4.559 -11.246 14.267 587 HA GLU 75 HA GLU 75 1.734 -11.734 14.283 588 1HB GLU 75 2HB GLU 75 2.325 -11.330 11.842 589 2HB GLU 75 3HB GLU 75 3.543 -12.605 11.965 590 1HG GLU 75 2HG GLU 75 1.783 -14.274 12.305 591 2HG GLU 75 3HG GLU 75 0.549 -13.002 12.394 Start of MODEL 7 1 1H MET 1 H1 MET 1 -4.193 -14.893 -8.245 2 2H MET 1 H2 MET 1 -4.521 -15.671 -9.612 3 3H MET 1 H3 MET 1 -5.667 -14.768 -8.778 4 HA MET 1 HA MET 1 -5.926 -17.237 -8.507 5 1HB MET 1 2HB MET 1 -4.273 -18.426 -7.186 6 2HB MET 1 3HB MET 1 -3.533 -17.714 -8.623 7 1HG MET 1 2HG MET 1 -2.599 -15.867 -7.236 8 2HG MET 1 3HG MET 1 -3.417 -16.529 -5.814 9 1HE MET 1 1HE MET 1 -1.306 -18.341 -8.692 10 2HE MET 1 2HE MET 1 -0.453 -16.833 -8.291 11 3HE MET 1 3HE MET 1 0.262 -18.400 -7.859 12 H GLY 2 H GLY 2 -6.203 -14.315 -6.930 13 1HA GLY 2 2HA GLY 2 -8.194 -14.392 -5.502 14 2HA GLY 2 1HA GLY 2 -7.422 -15.633 -4.512 15 H ASP 3 H ASP 3 -8.261 -13.656 -3.094 16 HA ASP 3 HA ASP 3 -7.747 -11.293 -2.671 17 1HB ASP 3 2HB ASP 3 -7.119 -13.468 -0.644 18 2HB ASP 3 3HB ASP 3 -7.296 -11.760 -0.222 19 H GLY 4 H GLY 4 -5.032 -13.340 -1.586 20 1HA GLY 4 2HA GLY 4 -2.947 -12.770 -0.809 21 2HA GLY 4 1HA GLY 4 -2.816 -11.724 -2.208 22 H VAL 5 H VAL 5 -4.200 -11.941 1.036 23 HA VAL 5 HA VAL 5 -4.469 -9.052 1.386 24 HB VAL 5 HB VAL 5 -6.129 -10.395 2.365 25 1HG1 VAL 5 1HG1 VAL 5 -5.050 -12.568 2.681 26 2HG1 VAL 5 2HG1 VAL 5 -4.070 -11.914 4.007 27 3HG1 VAL 5 3HG1 VAL 5 -5.826 -12.004 4.159 28 1HG2 VAL 5 1HG2 VAL 5 -4.384 -9.444 4.665 29 2HG2 VAL 5 2HG2 VAL 5 -5.302 -8.369 3.595 30 3HG2 VAL 5 3HG2 VAL 5 -6.151 -9.554 4.608 31 H LEU 6 H LEU 6 -2.513 -8.054 1.280 32 HA LEU 6 HA LEU 6 -0.478 -8.836 3.334 33 1HB LEU 6 2HB LEU 6 -0.183 -7.516 0.632 34 2HB LEU 6 3HB LEU 6 1.008 -7.280 1.905 35 HG LEU 6 HG LEU 6 1.793 -8.970 0.432 36 1HD1 LEU 6 1HD1 LEU 6 2.411 -10.685 1.939 37 2HD1 LEU 6 2HD1 LEU 6 2.301 -9.177 2.863 38 3HD1 LEU 6 3HD1 LEU 6 1.017 -10.405 2.986 39 1HD2 LEU 6 1HD2 LEU 6 0.745 -11.063 -0.030 40 2HD2 LEU 6 2HD2 LEU 6 -0.567 -10.758 1.116 41 3HD2 LEU 6 3HD2 LEU 6 -0.450 -9.801 -0.379 42 H GLU 7 H GLU 7 0.547 -7.124 4.410 43 HA GLU 7 HA GLU 7 -0.883 -4.591 4.627 44 1HB GLU 7 2HB GLU 7 -2.086 -6.370 6.046 45 2HB GLU 7 3HB GLU 7 -0.657 -6.334 7.092 46 1HG GLU 7 2HG GLU 7 -2.368 -3.956 6.289 47 2HG GLU 7 3HG GLU 7 -2.435 -4.788 7.855 48 H LEU 8 H LEU 8 0.565 -3.007 5.433 49 HA LEU 8 HA LEU 8 3.162 -3.715 6.391 50 1HB LEU 8 2HB LEU 8 4.459 -2.776 4.484 51 2HB LEU 8 3HB LEU 8 3.567 -4.234 4.072 52 HG LEU 8 HG LEU 8 1.733 -2.419 3.234 53 1HD1 LEU 8 1HD1 LEU 8 4.432 -1.119 2.682 54 2HD1 LEU 8 2HD1 LEU 8 2.841 -0.551 2.141 55 3HD1 LEU 8 3HD1 LEU 8 3.273 -0.499 3.860 56 1HD2 LEU 8 1HD2 LEU 8 2.653 -2.751 0.974 57 2HD2 LEU 8 2HD2 LEU 8 4.162 -3.377 1.673 58 3HD2 LEU 8 3HD2 LEU 8 2.636 -4.261 1.901 59 H VAL 9 H VAL 9 4.291 -1.855 7.206 60 HA VAL 9 HA VAL 9 2.504 0.310 7.923 61 HB VAL 9 HB VAL 9 5.301 -0.657 8.562 62 1HG1 VAL 9 1HG1 VAL 9 5.828 1.598 8.175 63 2HG1 VAL 9 2HG1 VAL 9 4.384 2.174 9.054 64 3HG1 VAL 9 3HG1 VAL 9 5.718 1.373 9.923 65 1HG2 VAL 9 1HG2 VAL 9 4.588 -0.632 10.806 66 2HG2 VAL 9 2HG2 VAL 9 3.189 0.376 10.451 67 3HG2 VAL 9 3HG2 VAL 9 3.223 -1.313 9.886 68 H VAL 10 H VAL 10 2.296 2.147 6.693 69 HA VAL 10 HA VAL 10 4.451 2.837 4.787 70 HB VAL 10 HB VAL 10 1.505 3.607 4.832 71 1HG1 VAL 10 1HG1 VAL 10 2.971 5.440 4.060 72 2HG1 VAL 10 2HG1 VAL 10 3.781 4.332 2.936 73 3HG1 VAL 10 3HG1 VAL 10 2.062 4.741 2.707 74 1HG2 VAL 10 1HG2 VAL 10 1.880 1.321 4.003 75 2HG2 VAL 10 2HG2 VAL 10 1.483 2.398 2.650 76 3HG2 VAL 10 3HG2 VAL 10 3.165 1.900 2.919 77 H ARG 11 H ARG 11 5.447 4.714 5.124 78 HA ARG 11 HA ARG 11 4.630 6.596 7.254 79 1HB ARG 11 2HB ARG 11 7.088 6.476 8.058 80 2HB ARG 11 3HB ARG 11 5.974 5.220 8.596 81 1HG ARG 11 2HG ARG 11 7.057 3.549 7.463 82 2HG ARG 11 3HG ARG 11 7.396 4.573 6.074 83 1HD ARG 11 2HD ARG 11 9.448 3.972 7.012 84 2HD ARG 11 3HD ARG 11 9.192 5.721 7.227 85 HE ARG 11 HE ARG 11 8.346 4.341 9.569 86 1HH1 ARG 11 2HH2 ARG 11 11.290 5.145 7.732 87 2HH1 ARG 11 1HH2 ARG 11 12.372 4.940 9.061 88 1HH2 ARG 11 2HH1 ARG 11 9.780 4.146 11.400 89 2HH2 ARG 11 1HH1 ARG 11 11.482 4.435 11.213 90 H GLY 12 H GLY 12 6.389 8.458 7.214 91 1HA GLY 12 2HA GLY 12 7.520 10.051 5.935 92 2HA GLY 12 1HA GLY 12 7.317 9.085 4.469 93 H MET 13 H MET 13 4.628 8.617 4.337 94 HA MET 13 HA MET 13 3.450 10.941 3.376 95 1HB MET 13 2HB MET 13 1.326 9.762 3.462 96 2HB MET 13 3HB MET 13 2.619 8.717 2.860 97 1HG MET 13 2HG MET 13 2.715 7.625 5.064 98 2HG MET 13 3HG MET 13 1.436 8.698 5.664 99 1HE MET 13 1HE MET 13 -0.381 5.293 5.569 100 2HE MET 13 2HE MET 13 1.293 5.670 6.031 101 3HE MET 13 3HE MET 13 -0.018 6.761 6.502 102 H THR 14 H THR 14 2.608 12.739 4.190 103 HA THR 14 HA THR 14 2.797 13.103 7.059 104 HB THR 14 HB THR 14 2.395 15.506 6.405 105 HG1 THR 14 1HG THR 14 1.277 15.263 4.474 106 1HG2 THR 14 1HG2 THR 14 4.679 14.535 6.584 107 2HG2 THR 14 2HG2 THR 14 4.598 14.033 4.883 108 3HG2 THR 14 3HG2 THR 14 4.573 15.756 5.300 109 H CYS 15 H CYS 15 0.065 13.172 4.679 110 HA CYS 15 HA CYS 15 -1.823 13.582 6.940 111 1HB CYS 15 2HB CYS 15 -2.590 15.682 6.064 112 2HB CYS 15 3HB CYS 15 -0.851 15.780 6.273 113 H ALA 16 H ALA 16 -4.060 14.018 6.003 114 HA ALA 16 HA ALA 16 -5.153 11.810 4.774 115 1HB ALA 16 1HB ALA 16 -6.146 14.683 4.651 116 2HB ALA 16 2HB ALA 16 -7.113 13.232 4.323 117 3HB ALA 16 3HB ALA 16 -6.462 13.510 5.950 118 H SER 17 H SER 17 -3.906 14.770 3.247 119 HA SER 17 HA SER 17 -4.814 14.268 0.606 120 1HB SER 17 2HB SER 17 -3.967 16.474 1.541 121 2HB SER 17 3HB SER 17 -2.321 15.843 1.329 122 HG SER 17 HG SER 17 -4.259 15.955 -0.747 123 H CYS 18 H CYS 18 -1.976 13.075 2.421 124 HA CYS 18 HA CYS 18 -0.767 11.838 0.048 125 1HB CYS 18 2HB CYS 18 -0.249 11.344 2.992 126 2HB CYS 18 3HB CYS 18 0.669 10.741 1.608 127 H VAL 19 H VAL 19 -2.569 10.789 2.973 128 HA VAL 19 HA VAL 19 -2.693 8.067 2.493 129 HB VAL 19 HB VAL 19 -4.722 9.929 3.743 130 1HG1 VAL 19 1HG1 VAL 19 -5.977 7.880 3.114 131 2HG1 VAL 19 2HG1 VAL 19 -4.772 6.909 3.984 132 3HG1 VAL 19 3HG1 VAL 19 -5.783 8.059 4.857 133 1HG2 VAL 19 1HG2 VAL 19 -2.727 7.954 4.946 134 2HG2 VAL 19 2HG2 VAL 19 -2.468 9.700 4.828 135 3HG2 VAL 19 3HG2 VAL 19 -3.778 9.067 5.844 136 H HIS 20 H HIS 20 -5.328 10.331 1.419 137 HA HIS 20 HA HIS 20 -6.592 8.158 0.027 138 1HB HIS 20 2HB HIS 20 -8.266 9.559 -0.595 139 2HB HIS 20 3HB HIS 20 -7.728 10.238 0.939 140 HD1 HIS 20 1HD HIS 20 -9.201 11.666 -1.757 141 HD2 HIS 20 2HD HIS 20 -5.306 12.067 -0.247 142 HE1 HIS 20 1HE HIS 20 -8.316 13.907 -2.600 143 H LYS 21 H LYS 21 -4.052 10.354 -0.927 144 HA LYS 21 HA LYS 21 -4.361 10.080 -3.793 145 1HB LYS 21 2HB LYS 21 -3.289 11.973 -2.833 146 2HB LYS 21 3HB LYS 21 -2.107 10.976 -1.971 147 1HG LYS 21 2HG LYS 21 -1.040 10.336 -4.074 148 2HG LYS 21 3HG LYS 21 -2.241 11.281 -4.983 149 1HD LYS 21 2HD LYS 21 -1.581 13.318 -3.650 150 2HD LYS 21 3HD LYS 21 -0.355 12.345 -2.821 151 1HE LYS 21 2HE LYS 21 0.747 11.917 -5.041 152 2HE LYS 21 3HE LYS 21 -0.449 12.967 -5.818 153 1HZ LYS 21 1HZ LYS 21 1.471 13.795 -3.733 154 2HZ LYS 21 2HZ LYS 21 1.586 14.136 -5.337 155 3HZ LYS 21 3HZ LYS 21 0.361 14.777 -4.446 156 H ILE 22 H ILE 22 -2.307 8.542 -1.267 157 HA ILE 22 HA ILE 22 -1.005 6.630 -2.929 158 HB ILE 22 HB ILE 22 -1.879 6.443 -0.017 159 1HG1 ILE 22 2HG1 ILE 22 0.906 6.949 -1.120 160 2HG1 ILE 22 3HG1 ILE 22 -0.225 8.257 -0.764 161 1HG2 ILE 22 1HG2 ILE 22 -0.173 4.624 0.169 162 2HG2 ILE 22 2HG2 ILE 22 -1.481 4.167 -0.912 163 3HG2 ILE 22 3HG2 ILE 22 0.082 4.701 -1.577 164 1HD1 ILE 22 1HD1 ILE 22 0.843 6.278 1.262 165 2HD1 ILE 22 2HD1 ILE 22 1.154 8.017 1.161 166 3HD1 ILE 22 3HD1 ILE 22 -0.470 7.446 1.562 167 H GLU 23 H GLU 23 -3.982 6.309 -0.926 168 HA GLU 23 HA GLU 23 -4.665 3.744 -1.704 169 1HB GLU 23 2HB GLU 23 -5.696 5.462 0.027 170 2HB GLU 23 3HB GLU 23 -6.835 5.823 -1.261 171 1HG GLU 23 2HG GLU 23 -7.644 3.542 -1.261 172 2HG GLU 23 3HG GLU 23 -6.298 3.020 -0.230 173 H SER 24 H SER 24 -5.830 6.779 -3.162 174 HA SER 24 HA SER 24 -7.308 5.714 -5.291 175 1HB SER 24 2HB SER 24 -7.438 8.037 -4.526 176 2HB SER 24 3HB SER 24 -5.822 8.360 -5.190 177 HG SER 24 HG SER 24 -7.556 8.921 -6.626 178 H SER 25 H SER 25 -3.783 6.334 -5.053 179 HA SER 25 HA SER 25 -3.266 5.940 -7.879 180 1HB SER 25 2HB SER 25 -1.820 7.287 -6.336 181 2HB SER 25 3HB SER 25 -1.321 5.781 -5.540 182 HG SER 25 HG SER 25 -0.615 5.098 -7.688 183 H LEU 26 H LEU 26 -3.200 3.942 -4.947 184 HA LEU 26 HA LEU 26 -1.942 1.649 -6.102 185 1HB LEU 26 2HB LEU 26 -3.265 2.385 -3.520 186 2HB LEU 26 3HB LEU 26 -3.385 0.698 -3.975 187 HG LEU 26 HG LEU 26 -0.940 0.543 -4.276 188 1HD1 LEU 26 1HD1 LEU 26 -0.466 2.924 -4.856 189 2HD1 LEU 26 2HD1 LEU 26 -0.898 3.398 -3.207 190 3HD1 LEU 26 3HD1 LEU 26 0.516 2.375 -3.497 191 1HD2 LEU 26 1HD2 LEU 26 -1.763 1.700 -1.579 192 2HD2 LEU 26 2HD2 LEU 26 -2.012 0.020 -2.117 193 3HD2 LEU 26 3HD2 LEU 26 -0.373 0.645 -1.892 194 H THR 27 H THR 27 -5.374 2.429 -5.348 195 HA THR 27 HA THR 27 -6.325 0.056 -6.697 196 HB THR 27 HB THR 27 -7.415 1.100 -4.770 197 HG1 THR 27 1HG THR 27 -9.465 0.602 -5.551 198 1HG2 THR 27 1HG2 THR 27 -8.864 3.023 -6.592 199 2HG2 THR 27 2HG2 THR 27 -8.738 3.005 -4.828 200 3HG2 THR 27 3HG2 THR 27 -7.349 3.509 -5.811 201 H LYS 28 H LYS 28 -4.882 0.668 -8.503 202 HA LYS 28 HA LYS 28 -6.338 1.743 -10.831 203 1HB LYS 28 2HB LYS 28 -3.450 2.486 -10.238 204 2HB LYS 28 3HB LYS 28 -4.330 2.896 -11.700 205 1HG LYS 28 2HG LYS 28 -5.134 3.907 -8.966 206 2HG LYS 28 3HG LYS 28 -3.858 4.644 -9.910 207 1HD LYS 28 2HD LYS 28 -5.509 6.042 -10.501 208 2HD LYS 28 3HD LYS 28 -5.535 4.908 -11.841 209 1HE LYS 28 2HE LYS 28 -7.783 5.574 -11.094 210 2HE LYS 28 3HE LYS 28 -7.561 3.829 -10.907 211 1HZ LYS 28 1HZ LYS 28 -6.934 5.462 -8.571 212 2HZ LYS 28 2HZ LYS 28 -8.537 5.308 -8.985 213 3HZ LYS 28 3HZ LYS 28 -7.603 3.991 -8.705 214 H HIS 29 H HIS 29 -3.311 0.259 -9.545 215 HA HIS 29 HA HIS 29 -2.464 -0.714 -12.013 216 1HB HIS 29 2HB HIS 29 -1.619 -1.904 -9.371 217 2HB HIS 29 3HB HIS 29 -0.670 -1.709 -10.836 218 HD1 HIS 29 1HD HIS 29 -0.268 1.135 -11.409 219 HD2 HIS 29 2HD HIS 29 -0.975 -0.280 -7.513 220 HE1 HIS 29 1HE HIS 29 0.694 2.876 -9.809 221 H ARG 30 H ARG 30 -5.187 -1.834 -11.434 222 HA ARG 30 HA ARG 30 -6.421 -3.607 -11.858 223 1HB ARG 30 2HB ARG 30 -3.916 -4.660 -13.235 224 2HB ARG 30 3HB ARG 30 -5.558 -5.294 -13.406 225 1HG ARG 30 2HG ARG 30 -6.319 -3.034 -14.200 226 2HG ARG 30 3HG ARG 30 -4.651 -2.461 -14.109 227 1HD ARG 30 2HD ARG 30 -5.178 -3.102 -16.436 228 2HD ARG 30 3HD ARG 30 -3.916 -4.110 -15.746 229 HE ARG 30 HE ARG 30 -5.200 -5.961 -15.976 230 1HH1 ARG 30 2HH2 ARG 30 -7.329 -3.167 -16.139 231 2HH1 ARG 30 1HH2 ARG 30 -8.764 -4.059 -16.547 232 1HH2 ARG 30 2HH1 ARG 30 -7.080 -7.205 -16.493 233 2HH2 ARG 30 1HH1 ARG 30 -8.605 -6.426 -16.747 234 H GLY 31 H GLY 31 -3.280 -5.087 -10.901 235 1HA GLY 31 2HA GLY 31 -4.500 -7.450 -9.859 236 2HA GLY 31 1HA GLY 31 -2.844 -6.874 -9.546 237 H ILE 32 H ILE 32 -4.321 -4.289 -8.543 238 HA ILE 32 HA ILE 32 -4.425 -5.033 -5.719 239 HB ILE 32 HB ILE 32 -5.007 -2.381 -7.098 240 1HG1 ILE 32 2HG1 ILE 32 -2.809 -2.986 -7.812 241 2HG1 ILE 32 3HG1 ILE 32 -2.690 -1.728 -6.590 242 1HG2 ILE 32 1HG2 ILE 32 -4.186 -3.040 -4.244 243 2HG2 ILE 32 2HG2 ILE 32 -4.371 -1.412 -4.907 244 3HG2 ILE 32 3HG2 ILE 32 -5.782 -2.475 -4.770 245 1HD1 ILE 32 1HD1 ILE 32 -2.044 -3.360 -4.893 246 2HD1 ILE 32 2HD1 ILE 32 -2.193 -4.674 -6.085 247 3HD1 ILE 32 3HD1 ILE 32 -0.975 -3.401 -6.305 248 H LEU 33 H LEU 33 -6.255 -6.126 -5.129 249 HA LEU 33 HA LEU 33 -8.840 -5.637 -6.455 250 1HB LEU 33 2HB LEU 33 -7.855 -7.496 -4.262 251 2HB LEU 33 3HB LEU 33 -9.573 -7.243 -4.528 252 HG LEU 33 HG LEU 33 -8.733 -9.270 -5.584 253 1HD1 LEU 33 1HD1 LEU 33 -9.716 -7.283 -7.674 254 2HD1 LEU 33 2HD1 LEU 33 -9.878 -9.045 -7.694 255 3HD1 LEU 33 3HD1 LEU 33 -10.742 -8.097 -6.472 256 1HD2 LEU 33 1HD2 LEU 33 -6.478 -8.498 -6.230 257 2HD2 LEU 33 2HD2 LEU 33 -7.359 -9.235 -7.583 258 3HD2 LEU 33 3HD2 LEU 33 -7.195 -7.477 -7.505 259 H TYR 34 H TYR 34 -7.199 -4.883 -3.340 260 HA TYR 34 HA TYR 34 -9.059 -2.662 -3.022 261 1HB TYR 34 2HB TYR 34 -10.293 -4.542 -1.912 262 2HB TYR 34 3HB TYR 34 -8.889 -4.822 -0.881 263 HD1 TYR 34 HD1 TYR 34 -11.120 -1.946 -1.867 264 HD2 TYR 34 HD2 TYR 34 -8.991 -3.990 1.281 265 HE1 TYR 34 HE1 TYR 34 -12.031 -0.347 -0.199 266 HE2 TYR 34 HE2 TYR 34 -9.993 -2.472 2.946 267 HH TYR 34 HH TYR 34 -11.469 -0.721 3.307 268 H CYS 35 H CYS 35 -8.294 -1.132 -1.507 269 HA CYS 35 HA CYS 35 -5.620 -1.501 -0.291 270 1HB CYS 35 2HB CYS 35 -5.239 -0.331 -2.474 271 2HB CYS 35 3HB CYS 35 -6.451 0.886 -1.994 272 HG CYS 35 HG CYS 35 -3.597 0.051 -0.649 273 H SER 36 H SER 36 -5.801 -0.796 1.789 274 HA SER 36 HA SER 36 -7.537 1.542 2.348 275 1HB SER 36 2HB SER 36 -8.896 -0.206 3.145 276 2HB SER 36 3HB SER 36 -7.547 -1.014 3.956 277 HG SER 36 HG SER 36 -8.686 1.528 4.570 278 H VAL 37 H VAL 37 -5.913 2.995 2.638 279 HA VAL 37 HA VAL 37 -3.497 2.194 4.207 280 HB VAL 37 HB VAL 37 -3.176 2.883 1.799 281 1HG1 VAL 37 1HG1 VAL 37 -4.906 4.844 2.034 282 2HG1 VAL 37 2HG1 VAL 37 -3.509 5.733 2.665 283 3HG1 VAL 37 3HG1 VAL 37 -3.444 5.028 1.046 284 1HG2 VAL 37 1HG2 VAL 37 -1.218 4.231 2.238 285 2HG2 VAL 37 2HG2 VAL 37 -1.798 4.623 3.867 286 3HG2 VAL 37 3HG2 VAL 37 -1.362 2.955 3.453 287 H ALA 38 H ALA 38 -2.767 3.551 5.928 288 HA ALA 38 HA ALA 38 -4.313 5.973 6.501 289 1HB ALA 38 1HB ALA 38 -4.385 3.656 8.477 290 2HB ALA 38 2HB ALA 38 -4.992 5.294 8.765 291 3HB ALA 38 3HB ALA 38 -5.781 4.267 7.548 292 H LEU 39 H LEU 39 -3.200 7.383 7.732 293 HA LEU 39 HA LEU 39 -0.464 6.703 8.629 294 1HB LEU 39 2HB LEU 39 -0.077 9.007 8.876 295 2HB LEU 39 3HB LEU 39 -0.945 8.798 7.363 296 HG LEU 39 HG LEU 39 -3.085 9.376 8.881 297 1HD1 LEU 39 1HD1 LEU 39 -0.802 10.864 10.286 298 2HD1 LEU 39 2HD1 LEU 39 -2.536 11.076 10.582 299 3HD1 LEU 39 3HD1 LEU 39 -1.736 9.576 11.053 300 1HD2 LEU 39 1HD2 LEU 39 -2.765 11.745 8.264 301 2HD2 LEU 39 2HD2 LEU 39 -1.053 11.413 7.906 302 3HD2 LEU 39 3HD2 LEU 39 -2.331 10.666 6.932 303 H ALA 40 H ALA 40 -3.664 7.495 9.913 304 HA ALA 40 HA ALA 40 -3.031 7.969 12.592 305 1HB ALA 40 1HB ALA 40 -5.346 7.261 13.063 306 2HB ALA 40 2HB ALA 40 -5.276 8.286 11.616 307 3HB ALA 40 3HB ALA 40 -5.466 6.523 11.453 308 H THR 41 H THR 41 -3.363 4.919 10.853 309 HA THR 41 HA THR 41 -2.467 3.394 13.246 310 HB THR 41 HB THR 41 -4.023 2.394 10.829 311 HG1 THR 41 1HG THR 41 -5.892 2.854 11.877 312 1HG2 THR 41 1HG2 THR 41 -4.915 0.705 12.435 313 2HG2 THR 41 2HG2 THR 41 -3.170 0.564 12.227 314 3HG2 THR 41 3HG2 THR 41 -3.827 1.348 13.683 315 H ASN 42 H ASN 42 -0.913 4.845 11.022 316 HA ASN 42 HA ASN 42 0.387 4.336 9.133 317 1HB ASN 42 2HB ASN 42 1.762 3.294 11.634 318 2HB ASN 42 3HB ASN 42 2.591 3.506 10.081 319 1HD2 ASN 42 1HD2 ASN 42 2.051 5.708 8.963 320 2HD2 ASN 42 2HD2 ASN 42 1.980 7.112 10.031 321 H LYS 43 H LYS 43 -1.099 2.851 8.044 322 HA LYS 43 HA LYS 43 0.107 0.160 7.768 323 1HB LYS 43 2HB LYS 43 -2.015 -0.993 8.181 324 2HB LYS 43 3HB LYS 43 -1.436 -0.170 9.585 325 1HG LYS 43 2HG LYS 43 -3.722 0.225 9.589 326 2HG LYS 43 3HG LYS 43 -3.098 1.739 8.901 327 1HD LYS 43 2HD LYS 43 -3.791 1.125 6.690 328 2HD LYS 43 3HD LYS 43 -3.943 -0.587 7.141 329 1HE LYS 43 2HE LYS 43 -5.929 0.187 8.631 330 2HE LYS 43 3HE LYS 43 -5.789 1.738 7.780 331 1HZ LYS 43 1HZ LYS 43 -7.287 0.522 6.429 332 2HZ LYS 43 2HZ LYS 43 -5.867 0.275 5.712 333 3HZ LYS 43 3HZ LYS 43 -6.480 -0.893 6.676 334 H ALA 44 H ALA 44 -0.878 -1.056 6.072 335 HA ALA 44 HA ALA 44 -2.584 0.302 4.109 336 1HB ALA 44 1HB ALA 44 -1.127 0.082 2.250 337 2HB ALA 44 2HB ALA 44 -0.308 1.065 3.470 338 3HB ALA 44 3HB ALA 44 0.169 -0.628 3.246 339 H HIS 45 H HIS 45 -4.098 -1.275 4.391 340 HA HIS 45 HA HIS 45 -3.412 -4.178 4.126 341 1HB HIS 45 2HB HIS 45 -5.076 -3.381 5.797 342 2HB HIS 45 3HB HIS 45 -6.028 -2.674 4.488 343 HD1 HIS 45 1HD HIS 45 -6.439 -5.440 6.565 344 HD2 HIS 45 2HD HIS 45 -6.230 -4.932 2.404 345 HE1 HIS 45 1HE HIS 45 -7.745 -7.374 5.535 346 H ILE 46 H ILE 46 -2.836 -4.671 2.134 347 HA ILE 46 HA ILE 46 -4.508 -3.624 -0.089 348 HB ILE 46 HB ILE 46 -1.580 -4.424 -0.209 349 1HG1 ILE 46 2HG1 ILE 46 -1.404 -2.314 -1.516 350 2HG1 ILE 46 3HG1 ILE 46 -3.111 -1.961 -1.206 351 1HG2 ILE 46 1HG2 ILE 46 -2.755 -5.553 -2.020 352 2HG2 ILE 46 2HG2 ILE 46 -3.700 -4.107 -2.377 353 3HG2 ILE 46 3HG2 ILE 46 -1.962 -4.138 -2.706 354 1HD1 ILE 46 1HD1 ILE 46 -2.657 -1.571 1.117 355 2HD1 ILE 46 2HD1 ILE 46 -1.037 -2.319 0.991 356 3HD1 ILE 46 3HD1 ILE 46 -1.377 -0.760 0.203 357 H LYS 47 H LYS 47 -5.702 -5.095 -0.944 358 HA LYS 47 HA LYS 47 -5.164 -8.035 -0.643 359 1HB LYS 47 2HB LYS 47 -7.471 -6.298 -1.478 360 2HB LYS 47 3HB LYS 47 -7.462 -8.037 -1.800 361 1HG LYS 47 2HG LYS 47 -6.972 -7.082 1.038 362 2HG LYS 47 3HG LYS 47 -8.602 -6.913 0.381 363 1HD LYS 47 2HD LYS 47 -8.589 -9.325 -0.306 364 2HD LYS 47 3HD LYS 47 -7.009 -9.503 0.473 365 1HE LYS 47 2HE LYS 47 -8.065 -8.866 2.667 366 2HE LYS 47 3HE LYS 47 -9.608 -8.607 1.838 367 1HZ LYS 47 1HZ LYS 47 -9.625 -10.752 2.836 368 2HZ LYS 47 2HZ LYS 47 -9.564 -10.970 1.207 369 3HZ LYS 47 3HZ LYS 47 -8.229 -11.199 2.083 370 H TYR 48 H TYR 48 -3.572 -8.441 -2.230 371 HA TYR 48 HA TYR 48 -4.114 -7.340 -4.935 372 1HB TYR 48 2HB TYR 48 -1.857 -7.112 -5.488 373 2HB TYR 48 3HB TYR 48 -2.160 -6.137 -4.074 374 HD1 TYR 48 HD1 TYR 48 -0.547 -9.221 -5.391 375 HD2 TYR 48 HD2 TYR 48 -0.823 -6.538 -2.026 376 HE1 TYR 48 HE1 TYR 48 1.450 -10.265 -4.381 377 HE2 TYR 48 HE2 TYR 48 1.298 -7.421 -1.162 378 HH TYR 48 HH TYR 48 2.719 -10.430 -2.455 379 H ASP 49 H ASP 49 -4.138 -8.877 -6.532 380 HA ASP 49 HA ASP 49 -4.087 -11.608 -5.602 381 1HB ASP 49 2HB ASP 49 -5.678 -10.841 -7.257 382 2HB ASP 49 3HB ASP 49 -4.376 -10.605 -8.434 383 HA PRO 50 HA PRO 50 0.308 -11.514 -5.972 384 1HB PRO 50 2HB PRO 50 1.032 -13.787 -4.706 385 2HB PRO 50 3HB PRO 50 0.096 -12.513 -3.877 386 1HG PRO 50 2HG PRO 50 -1.018 -14.987 -5.232 387 2HG PRO 50 3HG PRO 50 -1.300 -14.459 -3.546 388 1HD PRO 50 2HD PRO 50 -3.040 -13.824 -5.540 389 2HD PRO 50 3HD PRO 50 -2.660 -12.664 -4.246 390 H GLU 51 H GLU 51 -0.335 -11.730 -8.403 391 HA GLU 51 HA GLU 51 1.849 -13.295 -9.452 392 1HB GLU 51 2HB GLU 51 0.575 -14.511 -11.218 393 2HB GLU 51 3HB GLU 51 0.327 -15.095 -9.582 394 1HG GLU 51 2HG GLU 51 -1.861 -13.779 -9.533 395 2HG GLU 51 3HG GLU 51 -1.642 -13.507 -11.274 396 H ILE 52 H ILE 52 -1.114 -11.652 -10.422 397 HA ILE 52 HA ILE 52 -0.099 -10.162 -12.599 398 HB ILE 52 HB ILE 52 -2.428 -10.389 -12.265 399 1HG1 ILE 52 2HG1 ILE 52 -3.338 -8.114 -12.353 400 2HG1 ILE 52 3HG1 ILE 52 -1.805 -7.450 -11.789 401 1HG2 ILE 52 1HG2 ILE 52 -3.722 -9.421 -10.452 402 2HG2 ILE 52 2HG2 ILE 52 -2.664 -10.706 -9.928 403 3HG2 ILE 52 3HG2 ILE 52 -2.213 -9.022 -9.592 404 1HD1 ILE 52 1HD1 ILE 52 -2.220 -9.046 -14.363 405 2HD1 ILE 52 2HD1 ILE 52 -2.099 -7.278 -14.249 406 3HD1 ILE 52 3HD1 ILE 52 -0.695 -8.283 -13.856 407 H ILE 53 H ILE 53 0.156 -9.570 -9.094 408 HA ILE 53 HA ILE 53 1.914 -7.270 -9.559 409 HB ILE 53 HB ILE 53 -0.775 -7.362 -8.166 410 1HG1 ILE 53 2HG1 ILE 53 -0.480 -6.064 -10.274 411 2HG1 ILE 53 3HG1 ILE 53 -1.065 -5.130 -8.889 412 1HG2 ILE 53 1HG2 ILE 53 0.572 -7.057 -6.264 413 2HG2 ILE 53 2HG2 ILE 53 1.540 -5.792 -7.055 414 3HG2 ILE 53 3HG2 ILE 53 -0.176 -5.523 -6.681 415 1HD1 ILE 53 1HD1 ILE 53 1.109 -4.097 -8.565 416 2HD1 ILE 53 2HD1 ILE 53 1.819 -5.081 -9.868 417 3HD1 ILE 53 3HD1 ILE 53 0.570 -3.883 -10.233 418 H GLY 54 H GLY 54 3.575 -7.349 -8.179 419 1HA GLY 54 2HA GLY 54 3.631 -9.396 -5.987 420 2HA GLY 54 1HA GLY 54 5.036 -8.694 -6.812 421 HA PRO 55 HA PRO 55 3.672 -6.276 -2.903 422 1HB PRO 55 2HB PRO 55 5.836 -6.792 -1.275 423 2HB PRO 55 3HB PRO 55 4.368 -7.802 -1.332 424 1HG PRO 55 2HG PRO 55 7.001 -8.287 -2.732 425 2HG PRO 55 3HG PRO 55 5.991 -9.459 -1.843 426 1HD PRO 55 2HD PRO 55 5.944 -9.237 -4.575 427 2HD PRO 55 3HD PRO 55 4.484 -9.664 -3.656 428 H ARG 56 H ARG 56 6.895 -6.796 -4.339 429 HA ARG 56 HA ARG 56 8.049 -4.271 -3.948 430 1HB ARG 56 2HB ARG 56 8.368 -6.456 -5.972 431 2HB ARG 56 3HB ARG 56 9.058 -4.891 -6.356 432 1HG ARG 56 2HG ARG 56 9.678 -5.732 -3.575 433 2HG ARG 56 3HG ARG 56 10.258 -6.847 -4.802 434 1HD ARG 56 2HD ARG 56 11.991 -5.171 -4.298 435 2HD ARG 56 3HD ARG 56 11.476 -5.140 -5.972 436 HE ARG 56 HE ARG 56 10.673 -3.010 -5.790 437 1HH1 ARG 56 2HH2 ARG 56 11.173 -4.184 -2.492 438 2HH1 ARG 56 1HH2 ARG 56 11.394 -2.581 -1.824 439 1HH2 ARG 56 2HH1 ARG 56 10.994 -0.865 -4.865 440 2HH2 ARG 56 1HH1 ARG 56 11.197 -0.681 -3.195 441 H ASP 57 H ASP 57 5.473 -5.158 -6.306 442 HA ASP 57 HA ASP 57 5.888 -2.792 -7.910 443 1HB ASP 57 2HB ASP 57 3.440 -4.566 -7.654 444 2HB ASP 57 3HB ASP 57 3.746 -3.363 -8.917 445 H ILE 58 H ILE 58 3.564 -3.664 -5.362 446 HA ILE 58 HA ILE 58 2.259 -1.126 -5.144 447 HB ILE 58 HB ILE 58 2.817 -3.394 -3.212 448 1HG1 ILE 58 2HG1 ILE 58 0.125 -2.480 -4.154 449 2HG1 ILE 58 3HG1 ILE 58 1.162 -3.387 -5.271 450 1HG2 ILE 58 1HG2 ILE 58 1.267 -0.846 -2.637 451 2HG2 ILE 58 2HG2 ILE 58 1.114 -2.331 -1.676 452 3HG2 ILE 58 3HG2 ILE 58 2.658 -1.491 -1.730 453 1HD1 ILE 58 1HD1 ILE 58 1.461 -5.187 -3.645 454 2HD1 ILE 58 2HD1 ILE 58 0.400 -4.342 -2.494 455 3HD1 ILE 58 3HD1 ILE 58 -0.240 -4.931 -4.053 456 H ILE 59 H ILE 59 5.131 -2.455 -3.397 457 HA ILE 59 HA ILE 59 5.727 -0.133 -1.946 458 HB ILE 59 HB ILE 59 7.418 -2.394 -2.993 459 1HG1 ILE 59 2HG1 ILE 59 6.599 -1.762 -0.125 460 2HG1 ILE 59 3HG1 ILE 59 5.528 -2.672 -1.194 461 1HG2 ILE 59 1HG2 ILE 59 8.908 -0.562 -2.716 462 2HG2 ILE 59 2HG2 ILE 59 8.226 -0.133 -1.131 463 3HG2 ILE 59 3HG2 ILE 59 9.153 -1.635 -1.341 464 1HD1 ILE 59 1HD1 ILE 59 8.344 -3.511 -0.423 465 2HD1 ILE 59 2HD1 ILE 59 6.809 -4.237 0.095 466 3HD1 ILE 59 3HD1 ILE 59 7.301 -4.331 -1.607 467 H HIS 60 H HIS 60 6.766 -0.982 -5.319 468 HA HIS 60 HA HIS 60 8.372 1.282 -5.772 469 1HB HIS 60 2HB HIS 60 6.539 -0.092 -7.789 470 2HB HIS 60 3HB HIS 60 7.816 1.055 -8.159 471 HD1 HIS 60 1HD HIS 60 7.577 -2.296 -8.842 472 HD2 HIS 60 2HD HIS 60 10.192 -0.069 -6.419 473 HE1 HIS 60 1HE HIS 60 9.653 -3.722 -8.514 474 H THR 61 H THR 61 4.783 1.025 -5.712 475 HA THR 61 HA THR 61 4.482 3.662 -6.904 476 HB THR 61 HB THR 61 2.449 2.116 -5.251 477 HG1 THR 61 1HG THR 61 1.708 1.627 -7.444 478 1HG2 THR 61 1HG2 THR 61 0.859 3.540 -6.587 479 2HG2 THR 61 2HG2 THR 61 1.868 4.499 -5.493 480 3HG2 THR 61 3HG2 THR 61 2.239 4.439 -7.230 481 H ILE 62 H ILE 62 4.348 2.364 -3.562 482 HA ILE 62 HA ILE 62 3.927 4.817 -2.199 483 HB ILE 62 HB ILE 62 5.210 2.184 -1.437 484 1HG1 ILE 62 2HG1 ILE 62 3.217 2.328 0.267 485 2HG1 ILE 62 3HG1 ILE 62 2.574 3.585 -0.796 486 1HG2 ILE 62 1HG2 ILE 62 6.375 3.893 -0.041 487 2HG2 ILE 62 2HG2 ILE 62 4.781 4.548 0.434 488 3HG2 ILE 62 3HG2 ILE 62 5.265 2.937 0.930 489 1HD1 ILE 62 1HD1 ILE 62 1.669 1.327 -1.190 490 2HD1 ILE 62 2HD1 ILE 62 2.510 1.935 -2.627 491 3HD1 ILE 62 3HD1 ILE 62 3.297 0.736 -1.562 492 H GLU 63 H GLU 63 7.042 3.229 -3.007 493 HA GLU 63 HA GLU 63 8.823 5.239 -2.156 494 1HB GLU 63 2HB GLU 63 8.933 3.244 -4.455 495 2HB GLU 63 3HB GLU 63 10.308 4.234 -3.968 496 1HG GLU 63 2HG GLU 63 10.403 3.220 -1.786 497 2HG GLU 63 3HG GLU 63 8.890 2.350 -2.041 498 H SER 64 H SER 64 7.235 4.788 -5.354 499 HA SER 64 HA SER 64 8.630 6.901 -6.607 500 1HB SER 64 2HB SER 64 7.588 5.033 -7.845 501 2HB SER 64 3HB SER 64 5.978 5.669 -7.433 502 HG SER 64 HG SER 64 6.976 7.710 -8.443 503 H LEU 65 H LEU 65 5.729 7.071 -4.555 504 HA LEU 65 HA LEU 65 5.274 9.879 -5.321 505 1HB LEU 65 2HB LEU 65 4.385 8.125 -3.007 506 2HB LEU 65 3HB LEU 65 4.076 9.869 -3.071 507 HG LEU 65 HG LEU 65 2.137 8.806 -3.728 508 1HD1 LEU 65 1HD1 LEU 65 3.323 9.722 -6.373 509 2HD1 LEU 65 2HD1 LEU 65 1.639 9.797 -5.846 510 3HD1 LEU 65 3HD1 LEU 65 2.857 10.835 -5.066 511 1HD2 LEU 65 1HD2 LEU 65 1.821 7.295 -5.591 512 2HD2 LEU 65 2HD2 LEU 65 3.567 7.245 -5.882 513 3HD2 LEU 65 3HD2 LEU 65 2.884 6.620 -4.350 514 H GLY 66 H GLY 66 5.904 9.226 -1.929 515 1HA GLY 66 2HA GLY 66 8.695 9.957 -2.044 516 2HA GLY 66 1HA GLY 66 7.687 11.303 -1.465 517 H PHE 67 H PHE 67 7.207 7.752 -0.984 518 HA PHE 67 HA PHE 67 7.031 8.307 1.964 519 1HB PHE 67 2HB PHE 67 5.247 6.626 0.219 520 2HB PHE 67 3HB PHE 67 4.997 6.985 1.932 521 HD1 PHE 67 1HD PHE 67 3.280 7.452 -0.804 522 HD2 PHE 67 2HD PHE 67 5.544 10.011 1.849 523 HE1 PHE 67 1HE PHE 67 1.812 9.358 -1.357 524 HE2 PHE 67 2HE PHE 67 4.121 11.916 1.208 525 HZ PHE 67 HZ PHE 67 2.164 11.559 -0.255 526 H GLU 68 H GLU 68 7.284 6.369 3.297 527 HA GLU 68 HA GLU 68 9.167 4.407 2.047 528 1HB GLU 68 2HB GLU 68 10.199 6.006 3.619 529 2HB GLU 68 3HB GLU 68 9.076 5.504 4.877 530 1HG GLU 68 2HG GLU 68 10.042 3.187 4.752 531 2HG GLU 68 3HG GLU 68 11.137 3.740 3.471 532 H ALA 69 H ALA 69 9.032 2.247 2.883 533 HA ALA 69 HA ALA 69 6.316 1.441 3.818 534 1HB ALA 69 1HB ALA 69 6.472 1.137 1.366 535 2HB ALA 69 2HB ALA 69 8.016 0.287 1.553 536 3HB ALA 69 3HB ALA 69 6.525 -0.442 2.168 537 H SER 70 H SER 70 6.294 -0.376 5.180 538 HA SER 70 HA SER 70 8.700 -2.077 5.432 539 1HB SER 70 2HB SER 70 7.522 -0.613 7.832 540 2HB SER 70 3HB SER 70 8.841 -1.793 7.846 541 HG SER 70 HG SER 70 9.581 0.009 6.108 542 H LEU 71 H LEU 71 7.571 -3.910 4.779 543 HA LEU 71 HA LEU 71 5.051 -4.890 5.846 544 1HB LEU 71 2HB LEU 71 7.626 -6.205 4.861 545 2HB LEU 71 3HB LEU 71 6.213 -7.136 5.347 546 HG LEU 71 HG LEU 71 5.789 -4.980 3.285 547 1HD1 LEU 71 1HD1 LEU 71 7.837 -6.053 2.476 548 2HD1 LEU 71 2HD1 LEU 71 7.108 -7.660 2.684 549 3HD1 LEU 71 3HD1 LEU 71 6.455 -6.533 1.475 550 1HD2 LEU 71 1HD2 LEU 71 3.939 -6.466 4.222 551 2HD2 LEU 71 2HD2 LEU 71 4.128 -6.561 2.460 552 3HD2 LEU 71 3HD2 LEU 71 4.764 -7.853 3.498 553 H VAL 72 H VAL 72 4.628 -5.432 7.927 554 HA VAL 72 HA VAL 72 6.631 -6.686 9.644 555 HB VAL 72 HB VAL 72 6.912 -4.289 10.151 556 1HG1 VAL 72 1HG1 VAL 72 3.928 -4.219 10.802 557 2HG1 VAL 72 2HG1 VAL 72 5.106 -2.928 11.071 558 3HG1 VAL 72 3HG1 VAL 72 4.707 -3.418 9.419 559 1HG2 VAL 72 1HG2 VAL 72 5.345 -5.697 12.358 560 2HG2 VAL 72 2HG2 VAL 72 7.073 -5.903 12.003 561 3HG2 VAL 72 3HG2 VAL 72 6.464 -4.337 12.552 562 H LYS 73 H LYS 73 5.498 -8.110 11.075 563 HA LYS 73 HA LYS 73 2.501 -8.204 10.793 564 1HB LYS 73 2HB LYS 73 4.553 -10.443 10.650 565 2HB LYS 73 3HB LYS 73 2.827 -10.735 10.895 566 1HG LYS 73 2HG LYS 73 3.909 -9.156 8.523 567 2HG LYS 73 3HG LYS 73 3.725 -10.899 8.496 568 1HD LYS 73 2HD LYS 73 1.493 -10.873 8.294 569 2HD LYS 73 3HD LYS 73 1.243 -9.566 9.438 570 1HE LYS 73 2HE LYS 73 2.316 -9.106 6.616 571 2HE LYS 73 3HE LYS 73 0.588 -9.112 6.988 572 1HZ LYS 73 1HZ LYS 73 0.867 -7.225 8.394 573 2HZ LYS 73 2HZ LYS 73 2.486 -7.300 8.335 574 3HZ LYS 73 3HZ LYS 73 1.662 -6.887 6.998 575 H ILE 74 H ILE 74 5.329 -9.191 12.722 576 HA ILE 74 HA ILE 74 4.066 -8.223 15.122 577 HB ILE 74 HB ILE 74 3.123 -10.404 15.162 578 1HG1 ILE 74 2HG1 ILE 74 3.978 -9.365 17.276 579 2HG1 ILE 74 3HG1 ILE 74 3.618 -11.091 17.302 580 1HG2 ILE 74 1HG2 ILE 74 5.858 -11.708 14.930 581 2HG2 ILE 74 2HG2 ILE 74 4.308 -12.504 15.226 582 3HG2 ILE 74 3HG2 ILE 74 4.589 -11.677 13.691 583 1HD1 ILE 74 1HD1 ILE 74 6.433 -9.936 17.109 584 2HD1 ILE 74 2HD1 ILE 74 5.655 -10.585 18.556 585 3HD1 ILE 74 3HD1 ILE 74 6.002 -11.655 17.193 586 H GLU 75 H GLU 75 6.650 -10.236 13.797 587 HA GLU 75 HA GLU 75 8.591 -8.048 14.231 588 1HB GLU 75 2HB GLU 75 9.007 -10.886 13.177 589 2HB GLU 75 3HB GLU 75 10.237 -9.623 13.318 590 1HG GLU 75 2HG GLU 75 9.953 -9.616 15.788 591 2HG GLU 75 3HG GLU 75 8.721 -10.884 15.660 Start of MODEL 8 1 1H MET 1 H1 MET 1 -6.976 -18.080 -2.227 2 2H MET 1 H2 MET 1 -6.910 -19.541 -1.474 3 3H MET 1 H3 MET 1 -5.520 -18.752 -1.916 4 HA MET 1 HA MET 1 -5.978 -20.555 -3.406 5 1HB MET 1 2HB MET 1 -8.421 -20.499 -3.119 6 2HB MET 1 3HB MET 1 -8.514 -18.987 -4.036 7 1HG MET 1 2HG MET 1 -7.598 -20.112 -6.026 8 2HG MET 1 3HG MET 1 -7.411 -21.620 -5.126 9 1HE MET 1 1HE MET 1 -9.401 -23.164 -4.385 10 2HE MET 1 2HE MET 1 -10.224 -21.845 -3.507 11 3HE MET 1 3HE MET 1 -11.111 -22.802 -4.707 12 H GLY 2 H GLY 2 -6.848 -17.097 -4.020 13 1HA GLY 2 2HA GLY 2 -4.416 -16.752 -5.648 14 2HA GLY 2 1HA GLY 2 -5.969 -16.427 -6.456 15 H ASP 3 H ASP 3 -4.451 -15.946 -3.259 16 HA ASP 3 HA ASP 3 -5.873 -13.339 -2.906 17 1HB ASP 3 2HB ASP 3 -5.610 -15.674 -0.949 18 2HB ASP 3 3HB ASP 3 -6.401 -14.127 -0.639 19 H GLY 4 H GLY 4 -4.428 -11.751 -2.267 20 1HA GLY 4 2HA GLY 4 -2.013 -12.514 -0.694 21 2HA GLY 4 1HA GLY 4 -1.931 -11.467 -2.129 22 H VAL 5 H VAL 5 -1.665 -11.066 0.978 23 HA VAL 5 HA VAL 5 -3.246 -8.574 1.082 24 HB VAL 5 HB VAL 5 -3.102 -10.618 3.339 25 1HG1 VAL 5 1HG1 VAL 5 -4.458 -7.898 3.143 26 2HG1 VAL 5 2HG1 VAL 5 -4.690 -9.064 4.470 27 3HG1 VAL 5 3HG1 VAL 5 -3.108 -8.340 4.200 28 1HG2 VAL 5 1HG2 VAL 5 -4.667 -11.431 1.658 29 2HG2 VAL 5 2HG2 VAL 5 -5.573 -10.802 3.030 30 3HG2 VAL 5 3HG2 VAL 5 -5.431 -9.835 1.536 31 H LEU 6 H LEU 6 -2.021 -6.923 1.841 32 HA LEU 6 HA LEU 6 0.354 -7.527 3.519 33 1HB LEU 6 2HB LEU 6 0.307 -5.818 1.003 34 2HB LEU 6 3HB LEU 6 1.522 -5.630 2.273 35 HG LEU 6 HG LEU 6 1.102 -8.291 0.887 36 1HD1 LEU 6 1HD1 LEU 6 1.644 -6.605 -0.832 37 2HD1 LEU 6 2HD1 LEU 6 3.021 -6.047 0.131 38 3HD1 LEU 6 3HD1 LEU 6 3.024 -7.680 -0.551 39 1HD2 LEU 6 1HD2 LEU 6 3.439 -7.103 2.447 40 2HD2 LEU 6 2HD2 LEU 6 2.356 -8.392 3.013 41 3HD2 LEU 6 3HD2 LEU 6 3.429 -8.684 1.642 42 H GLU 7 H GLU 7 -0.130 -6.551 5.367 43 HA GLU 7 HA GLU 7 -1.298 -3.823 5.400 44 1HB GLU 7 2HB GLU 7 -0.255 -5.721 7.536 45 2HB GLU 7 3HB GLU 7 -0.530 -4.009 7.854 46 1HG GLU 7 2HG GLU 7 -2.735 -5.763 6.717 47 2HG GLU 7 3HG GLU 7 -2.401 -5.600 8.451 48 H LEU 8 H LEU 8 0.176 -2.776 4.055 49 HA LEU 8 HA LEU 8 3.078 -2.948 4.720 50 1HB LEU 8 2HB LEU 8 1.543 -1.127 2.810 51 2HB LEU 8 3HB LEU 8 3.294 -1.111 3.055 52 HG LEU 8 HG LEU 8 1.653 -3.393 1.894 53 1HD1 LEU 8 1HD1 LEU 8 3.747 -1.553 0.665 54 2HD1 LEU 8 2HD1 LEU 8 2.887 -2.880 -0.151 55 3HD1 LEU 8 3HD1 LEU 8 1.994 -1.448 0.410 56 1HD2 LEU 8 1HD2 LEU 8 3.955 -4.379 1.402 57 2HD2 LEU 8 2HD2 LEU 8 4.643 -3.175 2.504 58 3HD2 LEU 8 3HD2 LEU 8 3.507 -4.404 3.107 59 H VAL 9 H VAL 9 4.079 -1.465 6.011 60 HA VAL 9 HA VAL 9 2.494 0.697 7.263 61 HB VAL 9 HB VAL 9 4.963 -0.838 7.950 62 1HG1 VAL 9 1HG1 VAL 9 4.515 2.053 8.721 63 2HG1 VAL 9 2HG1 VAL 9 5.682 0.937 9.484 64 3HG1 VAL 9 3HG1 VAL 9 5.882 1.377 7.778 65 1HG2 VAL 9 1HG2 VAL 9 3.951 -0.604 10.206 66 2HG2 VAL 9 2HG2 VAL 9 2.709 0.474 9.557 67 3HG2 VAL 9 3HG2 VAL 9 2.757 -1.233 9.054 68 H VAL 10 H VAL 10 2.548 2.591 6.252 69 HA VAL 10 HA VAL 10 4.587 3.155 4.186 70 HB VAL 10 HB VAL 10 2.875 2.519 2.812 71 1HG1 VAL 10 1HG1 VAL 10 0.470 3.276 3.109 72 2HG1 VAL 10 2HG1 VAL 10 1.059 1.980 4.161 73 3HG1 VAL 10 3HG1 VAL 10 0.890 3.635 4.793 74 1HG2 VAL 10 1HG2 VAL 10 2.113 4.517 1.747 75 2HG2 VAL 10 2HG2 VAL 10 2.179 5.434 3.269 76 3HG2 VAL 10 3HG2 VAL 10 3.679 4.895 2.495 77 H ARG 11 H ARG 11 5.629 4.825 4.970 78 HA ARG 11 HA ARG 11 4.314 6.561 7.008 79 1HB ARG 11 2HB ARG 11 7.217 5.759 6.820 80 2HB ARG 11 3HB ARG 11 6.372 6.553 8.147 81 1HG ARG 11 2HG ARG 11 4.904 4.294 8.064 82 2HG ARG 11 3HG ARG 11 6.302 3.667 7.176 83 1HD ARG 11 2HD ARG 11 6.489 3.129 9.557 84 2HD ARG 11 3HD ARG 11 7.764 4.228 9.120 85 HE ARG 11 HE ARG 11 5.191 4.841 10.574 86 1HH1 ARG 11 2HH2 ARG 11 8.398 6.101 9.543 87 2HH1 ARG 11 1HH2 ARG 11 8.371 7.379 10.706 88 1HH2 ARG 11 2HH1 ARG 11 5.038 6.574 11.788 89 2HH2 ARG 11 1HH1 ARG 11 6.346 7.724 12.028 90 H GLY 12 H GLY 12 5.308 8.695 7.255 91 1HA GLY 12 2HA GLY 12 5.954 10.729 6.286 92 2HA GLY 12 1HA GLY 12 6.267 9.942 4.735 93 H MET 13 H MET 13 3.322 8.660 5.824 94 HA MET 13 HA MET 13 1.692 10.129 4.078 95 1HB MET 13 2HB MET 13 1.547 7.690 4.842 96 2HB MET 13 3HB MET 13 0.908 8.277 6.389 97 1HG MET 13 2HG MET 13 -0.803 9.575 4.953 98 2HG MET 13 3HG MET 13 -0.176 8.632 3.605 99 1HE MET 13 1HE MET 13 0.180 5.881 5.684 100 2HE MET 13 2HE MET 13 -1.239 4.994 5.085 101 3HE MET 13 3HE MET 13 -0.150 5.806 3.933 102 H THR 14 H THR 14 2.441 12.253 5.072 103 HA THR 14 HA THR 14 1.880 12.833 7.761 104 HB THR 14 HB THR 14 3.590 13.919 6.387 105 HG1 THR 14 1HG THR 14 3.312 15.947 7.376 106 1HG2 THR 14 1HG2 THR 14 3.054 15.911 5.053 107 2HG2 THR 14 2HG2 THR 14 2.333 14.463 4.350 108 3HG2 THR 14 3HG2 THR 14 1.320 15.610 5.256 109 H CYS 15 H CYS 15 -0.328 13.193 4.974 110 HA CYS 15 HA CYS 15 -2.443 14.108 6.811 111 1HB CYS 15 2HB CYS 15 -2.800 16.212 5.686 112 2HB CYS 15 3HB CYS 15 -1.121 16.140 6.195 113 H ALA 16 H ALA 16 -4.430 14.679 5.491 114 HA ALA 16 HA ALA 16 -5.525 12.464 4.277 115 1HB ALA 16 1HB ALA 16 -6.838 14.363 5.110 116 2HB ALA 16 2HB ALA 16 -6.231 15.387 3.787 117 3HB ALA 16 3HB ALA 16 -7.270 13.993 3.427 118 H SER 17 H SER 17 -3.835 15.206 2.673 119 HA SER 17 HA SER 17 -4.312 14.521 0.007 120 1HB SER 17 2HB SER 17 -1.766 15.734 1.123 121 2HB SER 17 3HB SER 17 -2.425 15.894 -0.511 122 HG SER 17 HG SER 17 -4.306 16.868 0.485 123 H CYS 18 H CYS 18 -1.856 13.225 2.329 124 HA CYS 18 HA CYS 18 -0.529 11.613 0.298 125 1HB CYS 18 2HB CYS 18 -0.550 11.305 3.321 126 2HB CYS 18 3HB CYS 18 0.520 10.517 2.158 127 H VAL 19 H VAL 19 -2.934 11.075 2.888 128 HA VAL 19 HA VAL 19 -3.322 8.330 2.657 129 HB VAL 19 HB VAL 19 -5.470 10.435 3.155 130 1HG1 VAL 19 1HG1 VAL 19 -6.480 8.216 2.675 131 2HG1 VAL 19 2HG1 VAL 19 -5.445 7.515 3.947 132 3HG1 VAL 19 3HG1 VAL 19 -6.689 8.704 4.360 133 1HG2 VAL 19 1HG2 VAL 19 -3.461 10.458 4.765 134 2HG2 VAL 19 2HG2 VAL 19 -5.049 10.176 5.490 135 3HG2 VAL 19 3HG2 VAL 19 -3.944 8.823 5.228 136 H HIS 20 H HIS 20 -5.359 10.775 0.908 137 HA HIS 20 HA HIS 20 -6.500 8.617 -0.641 138 1HB HIS 20 2HB HIS 20 -7.991 10.012 -1.547 139 2HB HIS 20 3HB HIS 20 -7.693 10.743 0.029 140 HD1 HIS 20 1HD HIS 20 -8.646 12.063 -2.970 141 HD2 HIS 20 2HD HIS 20 -5.175 12.539 -0.679 142 HE1 HIS 20 1HE HIS 20 -7.652 14.324 -3.620 143 H LYS 21 H LYS 21 -3.759 10.811 -1.241 144 HA LYS 21 HA LYS 21 -3.530 10.353 -4.019 145 1HB LYS 21 2HB LYS 21 -2.188 12.037 -2.880 146 2HB LYS 21 3HB LYS 21 -1.437 10.798 -1.870 147 1HG LYS 21 2HG LYS 21 0.201 11.362 -3.316 148 2HG LYS 21 3HG LYS 21 -0.366 9.859 -4.022 149 1HD LYS 21 2HD LYS 21 -1.398 12.587 -4.920 150 2HD LYS 21 3HD LYS 21 0.156 11.969 -5.490 151 1HE LYS 21 2HE LYS 21 -0.845 10.057 -6.556 152 2HE LYS 21 3HE LYS 21 -2.436 10.402 -5.874 153 1HZ LYS 21 1HZ LYS 21 -1.030 12.111 -7.806 154 2HZ LYS 21 2HZ LYS 21 -2.304 11.120 -8.126 155 3HZ LYS 21 3HZ LYS 21 -2.506 12.420 -7.145 156 H ILE 22 H ILE 22 -2.159 8.592 -1.202 157 HA ILE 22 HA ILE 22 -0.884 6.490 -2.635 158 HB ILE 22 HB ILE 22 -2.119 6.608 0.147 159 1HG1 ILE 22 2HG1 ILE 22 0.797 6.509 -0.661 160 2HG1 ILE 22 3HG1 ILE 22 -0.091 8.043 -0.584 161 1HG2 ILE 22 1HG2 ILE 22 -0.746 4.553 0.632 162 2HG2 ILE 22 2HG2 ILE 22 -2.063 4.251 -0.486 163 3HG2 ILE 22 3HG2 ILE 22 -0.405 4.412 -1.104 164 1HD1 ILE 22 1HD1 ILE 22 1.026 7.772 1.519 165 2HD1 ILE 22 2HD1 ILE 22 -0.723 7.556 1.760 166 3HD1 ILE 22 3HD1 ILE 22 0.358 6.145 1.730 167 H GLU 23 H GLU 23 -4.079 6.502 -0.976 168 HA GLU 23 HA GLU 23 -4.854 3.975 -1.760 169 1HB GLU 23 2HB GLU 23 -5.940 5.533 -0.121 170 2HB GLU 23 3HB GLU 23 -6.762 6.343 -1.455 171 1HG GLU 23 2HG GLU 23 -6.933 3.375 -0.843 172 2HG GLU 23 3HG GLU 23 -8.082 4.582 -0.242 173 H SER 24 H SER 24 -5.742 7.007 -3.485 174 HA SER 24 HA SER 24 -6.975 5.796 -5.694 175 1HB SER 24 2HB SER 24 -7.117 8.184 -5.119 176 2HB SER 24 3HB SER 24 -5.410 8.411 -5.537 177 HG SER 24 HG SER 24 -7.480 7.583 -7.305 178 H SER 25 H SER 25 -3.478 6.527 -5.175 179 HA SER 25 HA SER 25 -2.896 6.053 -7.990 180 1HB SER 25 2HB SER 25 -1.668 7.725 -6.577 181 2HB SER 25 3HB SER 25 -0.885 6.359 -5.756 182 HG SER 25 HG SER 25 0.366 7.084 -7.524 183 H LEU 26 H LEU 26 -3.020 4.151 -5.036 184 HA LEU 26 HA LEU 26 -1.791 1.821 -6.344 185 1HB LEU 26 2HB LEU 26 -3.371 2.400 -3.838 186 2HB LEU 26 3HB LEU 26 -3.178 0.761 -4.437 187 HG LEU 26 HG LEU 26 -0.919 0.652 -4.010 188 1HD1 LEU 26 1HD1 LEU 26 0.557 2.550 -3.452 189 2HD1 LEU 26 2HD1 LEU 26 -0.106 2.725 -5.076 190 3HD1 LEU 26 3HD1 LEU 26 -0.760 3.686 -3.733 191 1HD2 LEU 26 1HD2 LEU 26 -2.293 0.727 -1.971 192 2HD2 LEU 26 2HD2 LEU 26 -0.692 1.448 -1.659 193 3HD2 LEU 26 3HD2 LEU 26 -2.112 2.485 -1.892 194 H THR 27 H THR 27 -5.161 2.610 -5.335 195 HA THR 27 HA THR 27 -6.304 0.425 -6.506 196 HB THR 27 HB THR 27 -7.468 3.158 -5.882 197 HG1 THR 27 1HG THR 27 -7.720 2.195 -3.885 198 1HG2 THR 27 1HG2 THR 27 -8.874 0.457 -6.131 199 2HG2 THR 27 2HG2 THR 27 -9.586 1.950 -5.490 200 3HG2 THR 27 3HG2 THR 27 -9.124 1.857 -7.200 201 H LYS 28 H LYS 28 -5.362 3.375 -8.231 202 HA LYS 28 HA LYS 28 -6.785 2.979 -10.592 203 1HB LYS 28 2HB LYS 28 -5.025 4.068 -11.759 204 2HB LYS 28 3HB LYS 28 -5.302 4.895 -10.212 205 1HG LYS 28 2HG LYS 28 -3.297 3.722 -9.376 206 2HG LYS 28 3HG LYS 28 -3.019 2.995 -10.962 207 1HD LYS 28 2HD LYS 28 -3.096 5.361 -11.943 208 2HD LYS 28 3HD LYS 28 -2.956 5.984 -10.306 209 1HE LYS 28 2HE LYS 28 -0.962 4.141 -11.735 210 2HE LYS 28 3HE LYS 28 -0.802 5.896 -11.603 211 1HZ LYS 28 1HZ LYS 28 -0.828 4.068 -9.285 212 2HZ LYS 28 2HZ LYS 28 0.525 4.719 -9.955 213 3HZ LYS 28 3HZ LYS 28 -0.594 5.663 -9.205 214 H HIS 29 H HIS 29 -4.124 0.927 -9.409 215 HA HIS 29 HA HIS 29 -3.533 -0.197 -12.032 216 1HB HIS 29 2HB HIS 29 -2.980 -1.385 -9.288 217 2HB HIS 29 3HB HIS 29 -2.204 -1.814 -10.808 218 HD1 HIS 29 1HD HIS 29 -0.922 0.692 -11.884 219 HD2 HIS 29 2HD HIS 29 -1.545 0.030 -7.790 220 HE1 HIS 29 1HE HIS 29 0.636 2.294 -10.592 221 H ARG 30 H ARG 30 -4.980 -1.550 -13.074 222 HA ARG 30 HA ARG 30 -7.019 -3.036 -11.598 223 1HB ARG 30 2HB ARG 30 -7.555 -4.015 -13.787 224 2HB ARG 30 3HB ARG 30 -7.566 -2.260 -13.798 225 1HG ARG 30 2HG ARG 30 -5.963 -2.101 -15.371 226 2HG ARG 30 3HG ARG 30 -4.915 -3.290 -14.591 227 1HD ARG 30 2HD ARG 30 -7.334 -3.979 -16.308 228 2HD ARG 30 3HD ARG 30 -5.634 -4.006 -16.847 229 HE ARG 30 HE ARG 30 -5.766 -5.527 -14.495 230 1HH1 ARG 30 2HH2 ARG 30 -7.010 -5.799 -17.774 231 2HH1 ARG 30 1HH2 ARG 30 -7.157 -7.532 -17.744 232 1HH2 ARG 30 2HH1 ARG 30 -5.939 -7.755 -14.388 233 2HH2 ARG 30 1HH1 ARG 30 -6.504 -8.694 -15.735 234 H GLY 31 H GLY 31 -4.986 -3.726 -10.216 235 1HA GLY 31 2HA GLY 31 -4.653 -6.566 -10.661 236 2HA GLY 31 1HA GLY 31 -3.135 -5.628 -10.832 237 H ILE 32 H ILE 32 -5.994 -5.162 -8.790 238 HA ILE 32 HA ILE 32 -4.711 -5.857 -6.303 239 HB ILE 32 HB ILE 32 -5.205 -3.701 -5.244 240 1HG1 ILE 32 2HG1 ILE 32 -5.400 -1.705 -7.024 241 2HG1 ILE 32 3HG1 ILE 32 -6.298 -2.931 -7.917 242 1HG2 ILE 32 1HG2 ILE 32 -3.375 -3.203 -7.603 243 2HG2 ILE 32 2HG2 ILE 32 -3.357 -2.405 -6.020 244 3HG2 ILE 32 3HG2 ILE 32 -2.930 -4.122 -6.143 245 1HD1 ILE 32 1HD1 ILE 32 -7.823 -3.216 -5.969 246 2HD1 ILE 32 2HD1 ILE 32 -6.879 -2.009 -5.070 247 3HD1 ILE 32 3HD1 ILE 32 -7.771 -1.551 -6.537 248 H LEU 33 H LEU 33 -6.492 -5.793 -4.621 249 HA LEU 33 HA LEU 33 -9.230 -6.004 -5.819 250 1HB LEU 33 2HB LEU 33 -7.984 -7.599 -3.542 251 2HB LEU 33 3HB LEU 33 -9.716 -7.379 -3.737 252 HG LEU 33 HG LEU 33 -9.265 -9.472 -4.586 253 1HD1 LEU 33 1HD1 LEU 33 -10.075 -9.428 -6.826 254 2HD1 LEU 33 2HD1 LEU 33 -10.811 -8.055 -5.979 255 3HD1 LEU 33 3HD1 LEU 33 -9.460 -7.797 -7.114 256 1HD2 LEU 33 1HD2 LEU 33 -6.885 -9.365 -4.906 257 2HD2 LEU 33 2HD2 LEU 33 -7.668 -10.030 -6.343 258 3HD2 LEU 33 3HD2 LEU 33 -7.072 -8.362 -6.371 259 H TYR 34 H TYR 34 -7.234 -4.840 -2.983 260 HA TYR 34 HA TYR 34 -9.245 -2.767 -2.644 261 1HB TYR 34 2HB TYR 34 -10.258 -4.786 -1.478 262 2HB TYR 34 3HB TYR 34 -8.825 -4.834 -0.449 263 HD1 TYR 34 HD1 TYR 34 -9.154 -3.933 1.696 264 HD2 TYR 34 HD2 TYR 34 -11.347 -2.270 -1.629 265 HE1 TYR 34 HE1 TYR 34 -10.228 -2.298 3.206 266 HE2 TYR 34 HE2 TYR 34 -12.259 -0.511 -0.136 267 HH TYR 34 HH TYR 34 -11.128 -0.142 3.186 268 H CYS 35 H CYS 35 -8.647 -1.182 -1.048 269 HA CYS 35 HA CYS 35 -5.872 -1.206 -0.018 270 1HB CYS 35 2HB CYS 35 -7.182 0.840 -1.865 271 2HB CYS 35 3HB CYS 35 -5.715 1.167 -0.923 272 HG CYS 35 HG CYS 35 -5.476 0.702 -3.581 273 H SER 36 H SER 36 -6.147 -0.667 2.144 274 HA SER 36 HA SER 36 -8.124 1.469 2.825 275 1HB SER 36 2HB SER 36 -8.212 -1.303 3.696 276 2HB SER 36 3HB SER 36 -7.864 -0.284 5.089 277 HG SER 36 HG SER 36 -9.671 0.998 4.547 278 H VAL 37 H VAL 37 -6.889 3.131 3.342 279 HA VAL 37 HA VAL 37 -4.208 2.723 4.514 280 HB VAL 37 HB VAL 37 -3.944 5.139 3.733 281 1HG1 VAL 37 1HG1 VAL 37 -4.427 2.962 1.658 282 2HG1 VAL 37 2HG1 VAL 37 -3.562 4.489 1.383 283 3HG1 VAL 37 3HG1 VAL 37 -2.917 3.306 2.532 284 1HG2 VAL 37 1HG2 VAL 37 -6.470 5.531 3.426 285 2HG2 VAL 37 2HG2 VAL 37 -5.424 6.010 2.078 286 3HG2 VAL 37 3HG2 VAL 37 -6.362 4.517 1.977 287 H ALA 38 H ALA 38 -3.540 3.830 6.426 288 HA ALA 38 HA ALA 38 -5.419 5.847 7.533 289 1HB ALA 38 1HB ALA 38 -5.923 3.807 8.797 290 2HB ALA 38 2HB ALA 38 -4.186 3.538 9.078 291 3HB ALA 38 3HB ALA 38 -4.986 4.935 9.817 292 H LEU 39 H LEU 39 -4.233 7.678 7.776 293 HA LEU 39 HA LEU 39 -1.347 7.683 7.903 294 1HB LEU 39 2HB LEU 39 -1.589 10.047 8.625 295 2HB LEU 39 3HB LEU 39 -2.224 9.608 7.052 296 HG LEU 39 HG LEU 39 -4.546 9.730 7.905 297 1HD1 LEU 39 1HD1 LEU 39 -4.581 9.421 10.252 298 2HD1 LEU 39 2HD1 LEU 39 -3.177 10.498 10.512 299 3HD1 LEU 39 3HD1 LEU 39 -4.768 11.150 10.084 300 1HD2 LEU 39 1HD2 LEU 39 -4.573 12.171 7.991 301 2HD2 LEU 39 2HD2 LEU 39 -2.850 12.201 8.430 302 3HD2 LEU 39 3HD2 LEU 39 -3.354 11.629 6.831 303 H ALA 40 H ALA 40 -3.906 7.581 10.315 304 HA ALA 40 HA ALA 40 -2.583 8.296 12.609 305 1HB ALA 40 1HB ALA 40 -4.208 6.870 13.807 306 2HB ALA 40 2HB ALA 40 -4.985 7.786 12.503 307 3HB ALA 40 3HB ALA 40 -4.635 6.057 12.287 308 H THR 41 H THR 41 -2.682 5.009 11.181 309 HA THR 41 HA THR 41 -0.387 4.227 12.916 310 HB THR 41 HB THR 41 -2.672 3.088 13.025 311 HG1 THR 41 1HG THR 41 -1.572 1.185 13.598 312 1HG2 THR 41 1HG2 THR 41 -3.065 1.205 11.685 313 2HG2 THR 41 2HG2 THR 41 -2.909 2.640 10.652 314 3HG2 THR 41 3HG2 THR 41 -1.565 1.460 10.778 315 H ASN 42 H ASN 42 -0.760 5.632 10.069 316 HA ASN 42 HA ASN 42 0.297 5.666 8.067 317 1HB ASN 42 2HB ASN 42 2.954 5.316 8.611 318 2HB ASN 42 3HB ASN 42 2.030 6.792 8.731 319 1HD2 ASN 42 1HD2 ASN 42 0.745 6.904 10.967 320 2HD2 ASN 42 2HD2 ASN 42 1.684 6.563 12.387 321 H LYS 43 H LYS 43 -1.035 3.748 7.626 322 HA LYS 43 HA LYS 43 0.687 1.717 6.441 323 1HB LYS 43 2HB LYS 43 0.504 0.152 8.013 324 2HB LYS 43 3HB LYS 43 -0.282 1.292 9.046 325 1HG LYS 43 2HG LYS 43 -1.595 -0.706 7.166 326 2HG LYS 43 3HG LYS 43 -1.431 -0.806 8.902 327 1HD LYS 43 2HD LYS 43 -2.706 1.590 8.760 328 2HD LYS 43 3HD LYS 43 -3.359 0.892 7.294 329 1HE LYS 43 2HE LYS 43 -3.387 -0.639 9.932 330 2HE LYS 43 3HE LYS 43 -4.679 0.463 9.472 331 1HZ LYS 43 1HZ LYS 43 -5.250 -0.961 7.687 332 2HZ LYS 43 2HZ LYS 43 -3.738 -1.592 7.601 333 3HZ LYS 43 3HZ LYS 43 -4.682 -2.135 8.725 334 H ALA 44 H ALA 44 -0.568 0.009 5.321 335 HA ALA 44 HA ALA 44 -3.095 0.883 4.048 336 1HB ALA 44 1HB ALA 44 -1.228 1.818 2.654 337 2HB ALA 44 2HB ALA 44 -0.546 0.189 2.516 338 3HB ALA 44 3HB ALA 44 -2.146 0.550 1.833 339 H HIS 45 H HIS 45 -4.317 -0.727 4.546 340 HA HIS 45 HA HIS 45 -3.465 -3.573 4.474 341 1HB HIS 45 2HB HIS 45 -5.186 -2.576 6.095 342 2HB HIS 45 3HB HIS 45 -6.250 -2.360 4.719 343 HD1 HIS 45 1HD HIS 45 -5.396 -4.819 7.292 344 HD2 HIS 45 2HD HIS 45 -6.397 -4.876 3.227 345 HE1 HIS 45 1HE HIS 45 -6.257 -7.194 6.796 346 H ILE 46 H ILE 46 -2.771 -3.902 2.416 347 HA ILE 46 HA ILE 46 -4.617 -3.211 0.188 348 HB ILE 46 HB ILE 46 -1.675 -3.935 0.166 349 1HG1 ILE 46 2HG1 ILE 46 -3.159 -1.302 -0.368 350 2HG1 ILE 46 3HG1 ILE 46 -2.220 -1.680 1.088 351 1HG2 ILE 46 1HG2 ILE 46 -1.797 -3.415 -2.262 352 2HG2 ILE 46 2HG2 ILE 46 -2.870 -4.742 -1.879 353 3HG2 ILE 46 3HG2 ILE 46 -3.542 -3.118 -2.119 354 1HD1 ILE 46 1HD1 ILE 46 -0.814 -0.383 -0.281 355 2HD1 ILE 46 2HD1 ILE 46 -0.223 -2.053 -0.312 356 3HD1 ILE 46 3HD1 ILE 46 -1.138 -1.397 -1.709 357 H LYS 47 H LYS 47 -5.446 -4.830 -1.026 358 HA LYS 47 HA LYS 47 -4.713 -7.634 -0.403 359 1HB LYS 47 2HB LYS 47 -7.555 -6.794 -0.975 360 2HB LYS 47 3HB LYS 47 -6.944 -8.325 -0.307 361 1HG LYS 47 2HG LYS 47 -6.212 -6.939 1.742 362 2HG LYS 47 3HG LYS 47 -7.097 -5.597 1.019 363 1HD LYS 47 2HD LYS 47 -8.731 -6.438 2.408 364 2HD LYS 47 3HD LYS 47 -9.124 -7.180 0.853 365 1HE LYS 47 2HE LYS 47 -9.350 -8.751 2.731 366 2HE LYS 47 3HE LYS 47 -8.146 -9.313 1.565 367 1HZ LYS 47 1HZ LYS 47 -7.367 -7.798 3.990 368 2HZ LYS 47 2HZ LYS 47 -7.534 -9.447 3.980 369 3HZ LYS 47 3HZ LYS 47 -6.439 -8.704 3.009 370 H TYR 48 H TYR 48 -4.466 -8.833 -2.317 371 HA TYR 48 HA TYR 48 -5.164 -7.739 -4.932 372 1HB TYR 48 2HB TYR 48 -2.875 -7.369 -5.620 373 2HB TYR 48 3HB TYR 48 -3.228 -6.323 -4.253 374 HD1 TYR 48 HD1 TYR 48 -2.464 -7.192 -1.863 375 HD2 TYR 48 HD2 TYR 48 -0.916 -8.667 -5.607 376 HE1 TYR 48 HE1 TYR 48 -0.567 -8.196 -0.679 377 HE2 TYR 48 HE2 TYR 48 1.076 -9.542 -4.428 378 HH TYR 48 HH TYR 48 1.401 -9.405 -0.873 379 H ASP 49 H ASP 49 -4.419 -9.317 -6.677 380 HA ASP 49 HA ASP 49 -4.251 -12.057 -5.657 381 1HB ASP 49 2HB ASP 49 -4.241 -12.646 -8.023 382 2HB ASP 49 3HB ASP 49 -5.604 -11.590 -7.627 383 HA PRO 50 HA PRO 50 0.237 -11.344 -5.696 384 1HB PRO 50 2HB PRO 50 1.124 -13.647 -4.599 385 2HB PRO 50 3HB PRO 50 0.073 -12.539 -3.678 386 1HG PRO 50 2HG PRO 50 -0.790 -14.995 -5.242 387 2HG PRO 50 3HG PRO 50 -1.167 -14.606 -3.536 388 1HD PRO 50 2HD PRO 50 -2.876 -14.005 -5.610 389 2HD PRO 50 3HD PRO 50 -2.718 -12.940 -4.181 390 H GLU 51 H GLU 51 -0.843 -11.722 -8.182 391 HA GLU 51 HA GLU 51 0.767 -13.836 -9.537 392 1HB GLU 51 2HB GLU 51 -2.238 -13.359 -9.845 393 2HB GLU 51 3HB GLU 51 -1.254 -14.481 -10.790 394 1HG GLU 51 2HG GLU 51 -0.723 -15.756 -8.726 395 2HG GLU 51 3HG GLU 51 -1.693 -14.624 -7.769 396 H ILE 52 H ILE 52 -1.683 -11.215 -10.265 397 HA ILE 52 HA ILE 52 -0.157 -10.436 -12.605 398 HB ILE 52 HB ILE 52 -2.682 -10.259 -12.149 399 1HG1 ILE 52 2HG1 ILE 52 -1.215 -7.883 -13.376 400 2HG1 ILE 52 3HG1 ILE 52 -1.546 -9.429 -14.175 401 1HG2 ILE 52 1HG2 ILE 52 -1.976 -7.515 -11.081 402 2HG2 ILE 52 2HG2 ILE 52 -3.541 -8.382 -11.067 403 3HG2 ILE 52 3HG2 ILE 52 -2.242 -8.866 -9.979 404 1HD1 ILE 52 1HD1 ILE 52 -3.630 -7.431 -13.205 405 2HD1 ILE 52 2HD1 ILE 52 -3.200 -7.812 -14.881 406 3HD1 ILE 52 3HD1 ILE 52 -3.993 -9.043 -13.872 407 H ILE 53 H ILE 53 -0.057 -9.559 -9.206 408 HA ILE 53 HA ILE 53 2.096 -7.641 -9.747 409 HB ILE 53 HB ILE 53 -0.564 -7.041 -8.560 410 1HG1 ILE 53 2HG1 ILE 53 1.786 -5.475 -9.698 411 2HG1 ILE 53 3HG1 ILE 53 0.186 -5.760 -10.407 412 1HG2 ILE 53 1HG2 ILE 53 0.724 -7.245 -6.421 413 2HG2 ILE 53 2HG2 ILE 53 1.799 -5.972 -7.029 414 3HG2 ILE 53 3HG2 ILE 53 0.075 -5.660 -6.746 415 1HD1 ILE 53 1HD1 ILE 53 0.349 -3.470 -9.667 416 2HD1 ILE 53 2HD1 ILE 53 -0.765 -4.298 -8.561 417 3HD1 ILE 53 3HD1 ILE 53 0.914 -3.939 -8.059 418 H GLY 54 H GLY 54 3.775 -8.072 -8.568 419 1HA GLY 54 2HA GLY 54 3.755 -10.217 -6.524 420 2HA GLY 54 1HA GLY 54 5.151 -9.344 -7.182 421 HA PRO 55 HA PRO 55 3.745 -7.608 -3.040 422 1HB PRO 55 2HB PRO 55 5.971 -8.130 -1.503 423 2HB PRO 55 3HB PRO 55 4.631 -9.281 -1.758 424 1HG PRO 55 2HG PRO 55 7.289 -9.213 -3.200 425 2HG PRO 55 3HG PRO 55 6.437 -10.621 -2.514 426 1HD PRO 55 2HD PRO 55 6.291 -9.989 -5.173 427 2HD PRO 55 3HD PRO 55 4.893 -10.681 -4.300 428 H ARG 56 H ARG 56 7.177 -7.409 -4.244 429 HA ARG 56 HA ARG 56 7.447 -4.848 -3.029 430 1HB ARG 56 2HB ARG 56 9.362 -6.415 -3.442 431 2HB ARG 56 3HB ARG 56 9.346 -5.858 -5.132 432 1HG ARG 56 2HG ARG 56 9.589 -3.515 -4.335 433 2HG ARG 56 3HG ARG 56 9.536 -4.051 -2.657 434 1HD ARG 56 2HD ARG 56 11.742 -4.869 -2.725 435 2HD ARG 56 3HD ARG 56 11.667 -5.148 -4.469 436 HE ARG 56 HE ARG 56 12.220 -3.010 -4.957 437 1HH1 ARG 56 2HH2 ARG 56 11.130 -2.921 -1.579 438 2HH1 ARG 56 1HH2 ARG 56 11.331 -1.176 -1.490 439 1HH2 ARG 56 2HH1 ARG 56 12.801 -0.871 -4.670 440 2HH2 ARG 56 1HH1 ARG 56 12.176 -0.011 -3.292 441 H ASP 57 H ASP 57 6.297 -5.783 -6.224 442 HA ASP 57 HA ASP 57 6.379 -3.566 -7.765 443 1HB ASP 57 2HB ASP 57 3.805 -5.059 -7.174 444 2HB ASP 57 3HB ASP 57 4.294 -4.314 -8.691 445 H ILE 58 H ILE 58 4.093 -4.135 -5.078 446 HA ILE 58 HA ILE 58 2.754 -1.579 -5.265 447 HB ILE 58 HB ILE 58 2.975 -3.672 -3.068 448 1HG1 ILE 58 2HG1 ILE 58 0.499 -2.937 -4.626 449 2HG1 ILE 58 3HG1 ILE 58 1.698 -3.992 -5.391 450 1HG2 ILE 58 1HG2 ILE 58 1.216 -1.177 -3.187 451 2HG2 ILE 58 2HG2 ILE 58 1.015 -2.532 -2.055 452 3HG2 ILE 58 3HG2 ILE 58 2.471 -1.553 -1.988 453 1HD1 ILE 58 1HD1 ILE 58 0.396 -4.571 -2.700 454 2HD1 ILE 58 2HD1 ILE 58 -0.028 -5.326 -4.249 455 3HD1 ILE 58 3HD1 ILE 58 1.584 -5.584 -3.547 456 H ILE 59 H ILE 59 5.301 -2.890 -3.101 457 HA ILE 59 HA ILE 59 5.621 -0.597 -1.497 458 HB ILE 59 HB ILE 59 7.470 -2.848 -2.259 459 1HG1 ILE 59 2HG1 ILE 59 6.223 -2.218 0.443 460 2HG1 ILE 59 3HG1 ILE 59 5.299 -3.087 -0.789 461 1HG2 ILE 59 1HG2 ILE 59 7.991 -0.587 -0.322 462 2HG2 ILE 59 2HG2 ILE 59 8.908 -2.109 -0.334 463 3HG2 ILE 59 3HG2 ILE 59 8.936 -1.056 -1.750 464 1HD1 ILE 59 1HD1 ILE 59 6.369 -4.628 0.790 465 2HD1 ILE 59 2HD1 ILE 59 6.891 -4.877 -0.881 466 3HD1 ILE 59 3HD1 ILE 59 7.969 -4.063 0.281 467 H HIS 60 H HIS 60 7.285 -1.421 -4.562 468 HA HIS 60 HA HIS 60 8.945 0.824 -4.866 469 1HB HIS 60 2HB HIS 60 7.338 -0.749 -6.935 470 2HB HIS 60 3HB HIS 60 8.541 0.470 -7.334 471 HD1 HIS 60 1HD HIS 60 8.424 -3.077 -7.307 472 HD2 HIS 60 2HD HIS 60 11.067 -0.117 -5.941 473 HE1 HIS 60 1HE HIS 60 10.744 -4.150 -7.241 474 H THR 61 H THR 61 5.406 0.473 -5.378 475 HA THR 61 HA THR 61 5.155 3.007 -6.753 476 HB THR 61 HB THR 61 2.971 1.427 -5.329 477 HG1 THR 61 1HG THR 61 4.115 0.107 -6.875 478 1HG2 THR 61 1HG2 THR 61 2.337 3.710 -6.027 479 2HG2 THR 61 2HG2 THR 61 2.918 3.362 -7.672 480 3HG2 THR 61 3HG2 THR 61 1.535 2.468 -7.009 481 H ILE 62 H ILE 62 4.648 1.846 -3.400 482 HA ILE 62 HA ILE 62 3.916 4.342 -2.226 483 HB ILE 62 HB ILE 62 5.132 1.780 -1.165 484 1HG1 ILE 62 2HG1 ILE 62 3.075 1.976 0.326 485 2HG1 ILE 62 3HG1 ILE 62 2.515 3.277 -0.730 486 1HG2 ILE 62 1HG2 ILE 62 5.036 2.702 1.134 487 2HG2 ILE 62 2HG2 ILE 62 6.190 3.643 0.200 488 3HG2 ILE 62 3HG2 ILE 62 4.555 4.276 0.481 489 1HD1 ILE 62 1HD1 ILE 62 2.520 1.668 -2.639 490 2HD1 ILE 62 2HD1 ILE 62 3.238 0.444 -1.565 491 3HD1 ILE 62 3HD1 ILE 62 1.584 1.013 -1.281 492 H GLU 63 H GLU 63 7.179 2.835 -2.454 493 HA GLU 63 HA GLU 63 8.687 4.929 -1.365 494 1HB GLU 63 2HB GLU 63 9.345 2.925 -3.567 495 2HB GLU 63 3HB GLU 63 10.542 3.975 -2.803 496 1HG GLU 63 2HG GLU 63 10.194 2.948 -0.637 497 2HG GLU 63 3HG GLU 63 8.846 1.977 -1.240 498 H SER 64 H SER 64 7.882 4.313 -4.781 499 HA SER 64 HA SER 64 9.201 6.465 -5.963 500 1HB SER 64 2HB SER 64 8.304 4.536 -7.177 501 2HB SER 64 3HB SER 64 6.640 5.076 -6.852 502 HG SER 64 HG SER 64 7.478 5.677 -8.941 503 H LEU 65 H LEU 65 5.882 6.380 -4.573 504 HA LEU 65 HA LEU 65 5.138 8.971 -5.484 505 1HB LEU 65 2HB LEU 65 4.256 7.266 -3.149 506 2HB LEU 65 3HB LEU 65 3.553 8.867 -3.439 507 HG LEU 65 HG LEU 65 3.587 6.747 -5.614 508 1HD1 LEU 65 1HD1 LEU 65 1.408 7.222 -3.532 509 2HD1 LEU 65 2HD1 LEU 65 1.322 6.115 -4.921 510 3HD1 LEU 65 3HD1 LEU 65 2.467 5.796 -3.613 511 1HD2 LEU 65 1HD2 LEU 65 1.848 9.204 -5.072 512 2HD2 LEU 65 2HD2 LEU 65 3.089 9.070 -6.333 513 3HD2 LEU 65 3HD2 LEU 65 1.639 8.073 -6.419 514 H GLY 66 H GLY 66 5.633 8.504 -1.938 515 1HA GLY 66 2HA GLY 66 7.814 10.416 -1.914 516 2HA GLY 66 1HA GLY 66 6.292 11.147 -1.376 517 H PHE 67 H PHE 67 7.363 7.728 -0.781 518 HA PHE 67 HA PHE 67 6.953 8.370 2.127 519 1HB PHE 67 2HB PHE 67 5.738 6.161 0.476 520 2HB PHE 67 3HB PHE 67 5.461 6.417 2.195 521 HD1 PHE 67 1HD PHE 67 3.876 6.795 -0.848 522 HD2 PHE 67 2HD PHE 67 4.850 9.118 2.647 523 HE1 PHE 67 1HE PHE 67 2.214 8.519 -1.513 524 HE2 PHE 67 2HE PHE 67 3.214 10.839 1.969 525 HZ PHE 67 HZ PHE 67 1.903 10.556 -0.120 526 H GLU 68 H GLU 68 7.331 6.623 3.526 527 HA GLU 68 HA GLU 68 9.810 5.043 2.988 528 1HB GLU 68 2HB GLU 68 10.295 6.424 4.803 529 2HB GLU 68 3HB GLU 68 8.644 6.476 5.374 530 1HG GLU 68 2HG GLU 68 8.887 4.143 6.267 531 2HG GLU 68 3HG GLU 68 10.568 4.152 5.710 532 H ALA 69 H ALA 69 9.578 2.737 3.426 533 HA ALA 69 HA ALA 69 6.751 1.787 3.600 534 1HB ALA 69 1HB ALA 69 7.468 2.109 1.222 535 2HB ALA 69 2HB ALA 69 8.798 0.975 1.504 536 3HB ALA 69 3HB ALA 69 7.112 0.422 1.647 537 H SER 70 H SER 70 6.477 -0.110 4.704 538 HA SER 70 HA SER 70 8.507 -2.163 4.566 539 1HB SER 70 2HB SER 70 8.645 -2.508 7.040 540 2HB SER 70 3HB SER 70 9.363 -0.973 6.523 541 HG SER 70 HG SER 70 8.021 -0.655 8.319 542 H LEU 71 H LEU 71 7.540 -4.123 5.913 543 HA LEU 71 HA LEU 71 4.571 -4.070 6.074 544 1HB LEU 71 2HB LEU 71 4.625 -6.506 5.853 545 2HB LEU 71 3HB LEU 71 5.002 -5.694 4.341 546 HG LEU 71 HG LEU 71 7.325 -6.584 6.061 547 1HD1 LEU 71 1HD1 LEU 71 5.834 -8.523 6.112 548 2HD1 LEU 71 2HD1 LEU 71 5.647 -8.454 4.345 549 3HD1 LEU 71 3HD1 LEU 71 7.227 -8.834 5.064 550 1HD2 LEU 71 1HD2 LEU 71 6.819 -6.619 3.045 551 2HD2 LEU 71 2HD2 LEU 71 7.723 -5.357 3.902 552 3HD2 LEU 71 3HD2 LEU 71 8.344 -7.010 3.861 553 H VAL 72 H VAL 72 3.872 -5.054 8.075 554 HA VAL 72 HA VAL 72 6.037 -5.592 10.031 555 HB VAL 72 HB VAL 72 3.658 -3.743 10.461 556 1HG1 VAL 72 1HG1 VAL 72 4.548 -3.506 12.779 557 2HG1 VAL 72 2HG1 VAL 72 3.950 -5.138 12.471 558 3HG1 VAL 72 3HG1 VAL 72 5.700 -4.819 12.462 559 1HG2 VAL 72 1HG2 VAL 72 5.579 -2.637 9.381 560 2HG2 VAL 72 2HG2 VAL 72 5.486 -2.126 11.074 561 3HG2 VAL 72 3HG2 VAL 72 6.688 -3.329 10.580 562 H LYS 73 H LYS 73 5.653 -7.318 11.326 563 HA LYS 73 HA LYS 73 3.174 -8.534 11.832 564 1HB LYS 73 2HB LYS 73 4.250 -9.155 9.223 565 2HB LYS 73 3HB LYS 73 4.643 -10.504 10.281 566 1HG LYS 73 2HG LYS 73 2.167 -10.565 10.942 567 2HG LYS 73 3HG LYS 73 1.886 -9.270 9.769 568 1HD LYS 73 2HD LYS 73 1.272 -11.483 8.857 569 2HD LYS 73 3HD LYS 73 2.596 -10.753 7.920 570 1HE LYS 73 2HE LYS 73 4.250 -12.128 9.027 571 2HE LYS 73 3HE LYS 73 3.057 -12.689 10.231 572 1HZ LYS 73 1HZ LYS 73 3.729 -14.254 8.590 573 2HZ LYS 73 2HZ LYS 73 2.094 -14.025 8.538 574 3HZ LYS 73 3HZ LYS 73 3.088 -13.378 7.367 575 H ILE 74 H ILE 74 3.953 -11.000 12.623 576 HA ILE 74 HA ILE 74 5.898 -10.297 14.645 577 HB ILE 74 HB ILE 74 3.803 -11.220 15.307 578 1HG1 ILE 74 2HG1 ILE 74 4.525 -12.992 16.820 579 2HG1 ILE 74 3HG1 ILE 74 6.021 -13.225 15.906 580 1HG2 ILE 74 1HG2 ILE 74 3.354 -12.749 13.329 581 2HG2 ILE 74 2HG2 ILE 74 4.462 -13.918 14.080 582 3HG2 ILE 74 3HG2 ILE 74 3.004 -13.412 14.926 583 1HD1 ILE 74 1HD1 ILE 74 6.813 -11.014 16.534 584 2HD1 ILE 74 2HD1 ILE 74 5.224 -10.591 17.219 585 3HD1 ILE 74 3HD1 ILE 74 6.241 -11.826 17.997 586 H GLU 75 H GLU 75 5.575 -13.188 12.465 587 HA GLU 75 HA GLU 75 6.868 -14.973 12.423 588 1HB GLU 75 2HB GLU 75 8.779 -13.069 11.093 589 2HB GLU 75 3HB GLU 75 8.421 -14.751 10.686 590 1HG GLU 75 2HG GLU 75 6.673 -12.291 10.272 591 2HG GLU 75 3HG GLU 75 7.349 -13.352 9.040 Start of MODEL 9 1 1H MET 1 H1 MET 1 -5.999 -22.839 -2.127 2 2H MET 1 H2 MET 1 -6.765 -23.347 -3.516 3 3H MET 1 H3 MET 1 -5.105 -23.136 -3.453 4 HA MET 1 HA MET 1 -5.910 -21.276 -4.573 5 1HB MET 1 2HB MET 1 -7.792 -20.909 -2.188 6 2HB MET 1 3HB MET 1 -7.605 -19.801 -3.556 7 1HG MET 1 2HG MET 1 -9.555 -21.053 -4.015 8 2HG MET 1 3HG MET 1 -8.300 -21.660 -5.095 9 1HE MET 1 1HE MET 1 -10.254 -24.938 -4.623 10 2HE MET 1 2HE MET 1 -10.835 -23.293 -4.969 11 3HE MET 1 3HE MET 1 -9.359 -23.900 -5.758 12 H GLY 2 H GLY 2 -5.761 -18.794 -3.412 13 1HA GLY 2 2HA GLY 2 -4.045 -18.774 -1.081 14 2HA GLY 2 1HA GLY 2 -3.271 -18.225 -2.592 15 H ASP 3 H ASP 3 -3.482 -16.231 -0.826 16 HA ASP 3 HA ASP 3 -5.421 -14.424 -1.955 17 1HB ASP 3 2HB ASP 3 -6.724 -15.580 -0.119 18 2HB ASP 3 3HB ASP 3 -5.496 -15.047 1.043 19 H GLY 4 H GLY 4 -4.931 -12.227 -0.970 20 1HA GLY 4 2HA GLY 4 -2.012 -11.977 -0.215 21 2HA GLY 4 1HA GLY 4 -2.760 -11.012 -1.490 22 H VAL 5 H VAL 5 -1.806 -10.823 1.622 23 HA VAL 5 HA VAL 5 -3.659 -8.567 2.232 24 HB VAL 5 HB VAL 5 -3.481 -9.254 4.656 25 1HG1 VAL 5 1HG1 VAL 5 -5.546 -9.538 3.349 26 2HG1 VAL 5 2HG1 VAL 5 -5.011 -11.160 2.845 27 3HG1 VAL 5 3HG1 VAL 5 -5.347 -10.820 4.552 28 1HG2 VAL 5 1HG2 VAL 5 -3.081 -11.574 5.227 29 2HG2 VAL 5 2HG2 VAL 5 -2.782 -12.005 3.536 30 3HG2 VAL 5 3HG2 VAL 5 -1.634 -10.969 4.405 31 H LEU 6 H LEU 6 -1.827 -7.535 1.080 32 HA LEU 6 HA LEU 6 0.788 -7.570 2.394 33 1HB LEU 6 2HB LEU 6 0.210 -7.434 -0.170 34 2HB LEU 6 3HB LEU 6 -0.008 -5.731 0.114 35 HG LEU 6 HG LEU 6 2.173 -6.175 -0.745 36 1HD1 LEU 6 1HD1 LEU 6 2.076 -4.400 0.911 37 2HD1 LEU 6 2HD1 LEU 6 2.481 -5.548 2.216 38 3HD1 LEU 6 3HD1 LEU 6 3.655 -5.200 0.932 39 1HD2 LEU 6 1HD2 LEU 6 3.827 -7.623 0.224 40 2HD2 LEU 6 2HD2 LEU 6 2.777 -8.047 1.578 41 3HD2 LEU 6 3HD2 LEU 6 2.354 -8.559 -0.071 42 H GLU 7 H GLU 7 -0.044 -6.897 4.364 43 HA GLU 7 HA GLU 7 -0.830 -4.041 4.669 44 1HB GLU 7 2HB GLU 7 -2.121 -6.001 5.717 45 2HB GLU 7 3HB GLU 7 -0.789 -6.041 6.906 46 1HG GLU 7 2HG GLU 7 -1.153 -3.682 7.404 47 2HG GLU 7 3HG GLU 7 -2.440 -3.589 6.226 48 H LEU 8 H LEU 8 0.906 -2.851 4.477 49 HA LEU 8 HA LEU 8 3.288 -3.502 6.147 50 1HB LEU 8 2HB LEU 8 4.767 -2.748 4.489 51 2HB LEU 8 3HB LEU 8 3.730 -3.985 3.798 52 HG LEU 8 HG LEU 8 4.046 -2.512 2.094 53 1HD1 LEU 8 1HD1 LEU 8 1.565 -2.846 2.440 54 2HD1 LEU 8 2HD1 LEU 8 1.541 -1.260 3.237 55 3HD1 LEU 8 3HD1 LEU 8 2.008 -1.388 1.538 56 1HD2 LEU 8 1HD2 LEU 8 5.182 -0.765 3.449 57 2HD2 LEU 8 2HD2 LEU 8 4.139 -0.129 2.167 58 3HD2 LEU 8 3HD2 LEU 8 3.594 -0.093 3.856 59 H VAL 9 H VAL 9 4.480 -1.643 6.907 60 HA VAL 9 HA VAL 9 2.675 0.555 7.559 61 HB VAL 9 HB VAL 9 5.071 -0.614 8.783 62 1HG1 VAL 9 1HG1 VAL 9 6.171 1.438 8.152 63 2HG1 VAL 9 2HG1 VAL 9 4.798 2.419 8.733 64 3HG1 VAL 9 3HG1 VAL 9 5.794 1.491 9.875 65 1HG2 VAL 9 1HG2 VAL 9 3.972 0.117 10.806 66 2HG2 VAL 9 2HG2 VAL 9 2.930 1.242 9.926 67 3HG2 VAL 9 3HG2 VAL 9 2.707 -0.508 9.730 68 H VAL 10 H VAL 10 2.697 2.437 6.428 69 HA VAL 10 HA VAL 10 4.785 2.873 4.369 70 HB VAL 10 HB VAL 10 1.945 3.958 4.599 71 1HG1 VAL 10 1HG1 VAL 10 2.509 4.921 2.349 72 2HG1 VAL 10 2HG1 VAL 10 3.525 5.587 3.641 73 3HG1 VAL 10 3HG1 VAL 10 4.179 4.340 2.581 74 1HG2 VAL 10 1HG2 VAL 10 1.906 1.632 3.845 75 2HG2 VAL 10 2HG2 VAL 10 1.609 2.708 2.463 76 3HG2 VAL 10 3HG2 VAL 10 3.201 1.969 2.673 77 H ARG 11 H ARG 11 6.290 4.207 5.226 78 HA ARG 11 HA ARG 11 5.577 5.994 7.499 79 1HB ARG 11 2HB ARG 11 8.240 5.128 6.340 80 2HB ARG 11 3HB ARG 11 8.048 6.301 7.641 81 1HG ARG 11 2HG ARG 11 6.808 4.611 8.981 82 2HG ARG 11 3HG ARG 11 7.050 3.419 7.696 83 1HD ARG 11 2HD ARG 11 9.351 4.791 9.145 84 2HD ARG 11 3HD ARG 11 8.595 3.316 9.726 85 HE ARG 11 HE ARG 11 9.252 2.104 7.728 86 1HH1 ARG 11 2HH2 ARG 11 10.802 5.282 7.698 87 2HH1 ARG 11 1HH2 ARG 11 12.193 4.740 7.020 88 1HH2 ARG 11 2HH1 ARG 11 11.089 1.380 6.855 89 2HH2 ARG 11 1HH1 ARG 11 12.468 2.434 6.540 90 H GLY 12 H GLY 12 5.579 8.168 7.297 91 1HA GLY 12 2HA GLY 12 6.181 10.215 6.302 92 2HA GLY 12 1HA GLY 12 6.370 9.451 4.728 93 H MET 13 H MET 13 3.474 8.256 6.097 94 HA MET 13 HA MET 13 1.820 9.890 4.364 95 1HB MET 13 2HB MET 13 1.005 7.952 6.574 96 2HB MET 13 3HB MET 13 -0.058 8.689 5.358 97 1HG MET 13 2HG MET 13 1.556 7.637 3.619 98 2HG MET 13 3HG MET 13 2.097 6.633 4.966 99 1HE MET 13 1HE MET 13 -0.675 6.228 6.565 100 2HE MET 13 2HE MET 13 -1.186 4.680 5.861 101 3HE MET 13 3HE MET 13 0.532 4.950 6.255 102 H THR 14 H THR 14 2.706 11.938 5.327 103 HA THR 14 HA THR 14 2.171 12.511 8.051 104 HB THR 14 HB THR 14 4.003 13.530 6.819 105 HG1 THR 14 1HG THR 14 2.108 15.093 8.177 106 1HG2 THR 14 1HG2 THR 14 2.974 14.088 4.677 107 2HG2 THR 14 2HG2 THR 14 1.871 15.244 5.461 108 3HG2 THR 14 3HG2 THR 14 3.618 15.544 5.444 109 H CYS 15 H CYS 15 -0.104 12.812 5.370 110 HA CYS 15 HA CYS 15 -2.094 13.806 7.227 111 1HB CYS 15 2HB CYS 15 -2.553 15.918 6.112 112 2HB CYS 15 3HB CYS 15 -0.878 15.903 6.633 113 H ALA 16 H ALA 16 -4.158 14.311 5.966 114 HA ALA 16 HA ALA 16 -5.112 12.075 4.628 115 1HB ALA 16 1HB ALA 16 -6.547 13.790 5.646 116 2HB ALA 16 2HB ALA 16 -6.072 14.958 4.390 117 3HB ALA 16 3HB ALA 16 -7.003 13.509 3.953 118 H SER 17 H SER 17 -3.612 15.030 3.244 119 HA SER 17 HA SER 17 -4.145 14.522 0.542 120 1HB SER 17 2HB SER 17 -1.713 15.950 1.628 121 2HB SER 17 3HB SER 17 -2.509 16.163 0.065 122 HG SER 17 HG SER 17 -4.407 16.810 1.254 123 H CYS 18 H CYS 18 -1.701 13.069 2.709 124 HA CYS 18 HA CYS 18 -0.252 11.772 0.512 125 1HB CYS 18 2HB CYS 18 -0.329 11.132 3.491 126 2HB CYS 18 3HB CYS 18 0.737 10.432 2.289 127 H VAL 19 H VAL 19 -2.593 10.857 3.032 128 HA VAL 19 HA VAL 19 -2.855 8.154 2.448 129 HB VAL 19 HB VAL 19 -4.954 10.097 3.484 130 1HG1 VAL 19 1HG1 VAL 19 -6.094 8.223 4.493 131 2HG1 VAL 19 2HG1 VAL 19 -6.014 7.936 2.751 132 3HG1 VAL 19 3HG1 VAL 19 -4.895 7.093 3.854 133 1HG2 VAL 19 1HG2 VAL 19 -3.025 8.212 4.930 134 2HG2 VAL 19 2HG2 VAL 19 -2.856 9.971 4.856 135 3HG2 VAL 19 3HG2 VAL 19 -4.238 9.257 5.697 136 H HIS 20 H HIS 20 -5.076 10.729 1.169 137 HA HIS 20 HA HIS 20 -6.410 8.755 -0.443 138 1HB HIS 20 2HB HIS 20 -7.859 10.335 -1.148 139 2HB HIS 20 3HB HIS 20 -7.392 10.931 0.444 140 HD1 HIS 20 1HD HIS 20 -8.434 12.521 -2.390 141 HD2 HIS 20 2HD HIS 20 -4.738 12.544 -0.404 142 HE1 HIS 20 1HE HIS 20 -7.273 14.702 -3.038 143 H LYS 21 H LYS 21 -3.640 10.837 -1.066 144 HA LYS 21 HA LYS 21 -3.573 10.610 -3.925 145 1HB LYS 21 2HB LYS 21 -2.312 12.302 -2.874 146 2HB LYS 21 3HB LYS 21 -1.503 11.170 -1.781 147 1HG LYS 21 2HG LYS 21 -0.115 10.295 -3.474 148 2HG LYS 21 3HG LYS 21 -1.030 11.099 -4.769 149 1HD LYS 21 2HD LYS 21 -0.333 13.253 -4.143 150 2HD LYS 21 3HD LYS 21 0.188 12.771 -2.533 151 1HE LYS 21 2HE LYS 21 1.597 11.717 -5.030 152 2HE LYS 21 3HE LYS 21 1.987 13.304 -4.358 153 1HZ LYS 21 1HZ LYS 21 2.173 10.807 -2.823 154 2HZ LYS 21 2HZ LYS 21 3.445 11.575 -3.516 155 3HZ LYS 21 3HZ LYS 21 2.607 12.305 -2.310 156 H ILE 22 H ILE 22 -2.028 8.744 -1.257 157 HA ILE 22 HA ILE 22 -0.845 6.725 -2.866 158 HB ILE 22 HB ILE 22 -1.975 6.554 -0.047 159 1HG1 ILE 22 2HG1 ILE 22 0.928 6.617 -0.913 160 2HG1 ILE 22 3HG1 ILE 22 0.024 8.120 -0.659 161 1HG2 ILE 22 1HG2 ILE 22 -0.511 4.486 0.114 162 2HG2 ILE 22 2HG2 ILE 22 -1.877 4.280 -0.972 163 3HG2 ILE 22 3HG2 ILE 22 -0.259 4.585 -1.635 164 1HD1 ILE 22 1HD1 ILE 22 1.214 7.571 1.368 165 2HD1 ILE 22 2HD1 ILE 22 -0.529 7.426 1.644 166 3HD1 ILE 22 3HD1 ILE 22 0.473 5.967 1.430 167 H GLU 23 H GLU 23 -3.983 6.594 -1.110 168 HA GLU 23 HA GLU 23 -4.790 4.126 -2.055 169 1HB GLU 23 2HB GLU 23 -5.815 5.741 -0.283 170 2HB GLU 23 3HB GLU 23 -6.795 6.373 -1.603 171 1HG GLU 23 2HG GLU 23 -6.674 3.463 -0.681 172 2HG GLU 23 3HG GLU 23 -7.929 4.629 -0.254 173 H SER 24 H SER 24 -5.825 7.269 -3.413 174 HA SER 24 HA SER 24 -7.294 6.324 -5.558 175 1HB SER 24 2HB SER 24 -7.238 8.670 -4.743 176 2HB SER 24 3HB SER 24 -5.625 8.879 -5.453 177 HG SER 24 HG SER 24 -7.988 8.175 -6.880 178 H SER 25 H SER 25 -3.741 7.033 -5.466 179 HA SER 25 HA SER 25 -3.320 6.522 -8.268 180 1HB SER 25 2HB SER 25 -1.400 6.233 -5.915 181 2HB SER 25 3HB SER 25 -0.959 6.283 -7.634 182 HG SER 25 HG SER 25 -2.142 8.323 -6.056 183 H LEU 26 H LEU 26 -2.936 4.516 -5.299 184 HA LEU 26 HA LEU 26 -1.904 2.289 -6.545 185 1HB LEU 26 2HB LEU 26 -2.469 3.092 -3.989 186 2HB LEU 26 3HB LEU 26 -3.674 1.819 -4.182 187 HG LEU 26 HG LEU 26 -0.639 1.652 -4.535 188 1HD1 LEU 26 1HD1 LEU 26 -0.747 0.402 -2.439 189 2HD1 LEU 26 2HD1 LEU 26 -1.512 1.995 -2.229 190 3HD1 LEU 26 3HD1 LEU 26 -2.523 0.553 -2.415 191 1HD2 LEU 26 1HD2 LEU 26 -1.658 0.054 -6.024 192 2HD2 LEU 26 2HD2 LEU 26 -1.080 -0.823 -4.599 193 3HD2 LEU 26 3HD2 LEU 26 -2.818 -0.452 -4.772 194 H THR 27 H THR 27 -5.371 3.160 -6.054 195 HA THR 27 HA THR 27 -6.425 0.689 -6.801 196 HB THR 27 HB THR 27 -8.464 1.792 -7.494 197 HG1 THR 27 1HG THR 27 -6.935 4.189 -7.253 198 1HG2 THR 27 1HG2 THR 27 -7.310 2.961 -4.951 199 2HG2 THR 27 2HG2 THR 27 -9.014 2.852 -5.378 200 3HG2 THR 27 3HG2 THR 27 -8.066 1.375 -5.126 201 H LYS 28 H LYS 28 -4.803 2.938 -9.029 202 HA LYS 28 HA LYS 28 -5.996 1.608 -11.352 203 1HB LYS 28 2HB LYS 28 -4.478 2.819 -12.708 204 2HB LYS 28 3HB LYS 28 -5.357 3.891 -11.631 205 1HG LYS 28 2HG LYS 28 -3.491 4.661 -10.693 206 2HG LYS 28 3HG LYS 28 -2.709 3.086 -10.570 207 1HD LYS 28 2HD LYS 28 -2.886 4.564 -13.227 208 2HD LYS 28 3HD LYS 28 -1.665 4.934 -12.018 209 1HE LYS 28 2HE LYS 28 -0.635 3.434 -13.531 210 2HE LYS 28 3HE LYS 28 -0.858 2.590 -11.998 211 1HZ LYS 28 1HZ LYS 28 -2.573 2.286 -14.386 212 2HZ LYS 28 2HZ LYS 28 -1.409 1.233 -13.895 213 3HZ LYS 28 3HZ LYS 28 -2.749 1.443 -12.985 214 H HIS 29 H HIS 29 -3.785 0.397 -9.122 215 HA HIS 29 HA HIS 29 -2.105 -1.035 -11.113 216 1HB HIS 29 2HB HIS 29 -2.144 -1.072 -8.072 217 2HB HIS 29 3HB HIS 29 -1.027 -1.960 -9.105 218 HD1 HIS 29 1HD HIS 29 1.262 -0.727 -9.251 219 HD2 HIS 29 2HD HIS 29 -2.074 1.816 -8.911 220 HE1 HIS 29 1HE HIS 29 2.094 1.681 -9.525 221 H ARG 30 H ARG 30 -4.228 -1.802 -11.968 222 HA ARG 30 HA ARG 30 -6.235 -2.888 -10.653 223 1HB ARG 30 2HB ARG 30 -5.193 -3.288 -13.430 224 2HB ARG 30 3HB ARG 30 -6.467 -4.394 -12.942 225 1HG ARG 30 2HG ARG 30 -6.743 -1.379 -12.628 226 2HG ARG 30 3HG ARG 30 -7.229 -2.270 -14.084 227 1HD ARG 30 2HD ARG 30 -8.718 -3.717 -12.729 228 2HD ARG 30 3HD ARG 30 -8.309 -2.784 -11.274 229 HE ARG 30 HE ARG 30 -9.222 -0.994 -13.277 230 1HH1 ARG 30 2HH2 ARG 30 -10.400 -3.529 -11.137 231 2HH1 ARG 30 1HH2 ARG 30 -12.029 -2.939 -11.036 232 1HH2 ARG 30 2HH1 ARG 30 -11.389 -0.159 -13.184 233 2HH2 ARG 30 1HH1 ARG 30 -12.598 -0.962 -12.238 234 H GLY 31 H GLY 31 -3.349 -4.713 -10.629 235 1HA GLY 31 2HA GLY 31 -4.664 -7.322 -10.221 236 2HA GLY 31 1HA GLY 31 -2.953 -6.932 -10.043 237 H ILE 32 H ILE 32 -4.280 -4.455 -8.337 238 HA ILE 32 HA ILE 32 -4.219 -5.840 -5.776 239 HB ILE 32 HB ILE 32 -4.472 -3.733 -4.756 240 1HG1 ILE 32 2HG1 ILE 32 -4.296 -1.681 -6.504 241 2HG1 ILE 32 3HG1 ILE 32 -5.324 -2.758 -7.454 242 1HG2 ILE 32 1HG2 ILE 32 -2.400 -2.721 -5.423 243 2HG2 ILE 32 2HG2 ILE 32 -2.268 -4.479 -5.486 244 3HG2 ILE 32 3HG2 ILE 32 -2.423 -3.547 -6.988 245 1HD1 ILE 32 1HD1 ILE 32 -5.823 -1.697 -4.648 246 2HD1 ILE 32 2HD1 ILE 32 -6.762 -1.379 -6.127 247 3HD1 ILE 32 3HD1 ILE 32 -6.808 -2.974 -5.384 248 H LEU 33 H LEU 33 -6.035 -6.325 -4.623 249 HA LEU 33 HA LEU 33 -8.655 -6.312 -6.007 250 1HB LEU 33 2HB LEU 33 -7.631 -7.509 -3.407 251 2HB LEU 33 3HB LEU 33 -9.303 -7.651 -3.949 252 HG LEU 33 HG LEU 33 -6.956 -8.641 -5.637 253 1HD1 LEU 33 1HD1 LEU 33 -8.635 -10.200 -3.629 254 2HD1 LEU 33 2HD1 LEU 33 -7.447 -10.883 -4.761 255 3HD1 LEU 33 3HD1 LEU 33 -6.908 -9.802 -3.469 256 1HD2 LEU 33 1HD2 LEU 33 -9.961 -9.216 -5.643 257 2HD2 LEU 33 2HD2 LEU 33 -9.050 -8.339 -6.894 258 3HD2 LEU 33 3HD2 LEU 33 -8.766 -10.062 -6.639 259 H TYR 34 H TYR 34 -6.956 -4.830 -3.202 260 HA TYR 34 HA TYR 34 -9.072 -2.855 -2.887 261 1HB TYR 34 2HB TYR 34 -9.896 -4.941 -1.647 262 2HB TYR 34 3HB TYR 34 -8.419 -4.842 -0.676 263 HD1 TYR 34 HD1 TYR 34 -11.195 -2.494 -1.714 264 HD2 TYR 34 HD2 TYR 34 -8.726 -4.062 1.462 265 HE1 TYR 34 HE1 TYR 34 -12.309 -0.984 -0.087 266 HE2 TYR 34 HE2 TYR 34 -9.919 -2.643 3.086 267 HH TYR 34 HH TYR 34 -10.990 -0.515 3.100 268 H CYS 35 H CYS 35 -8.311 -1.095 -1.521 269 HA CYS 35 HA CYS 35 -5.652 -1.445 -0.253 270 1HB CYS 35 2HB CYS 35 -5.304 -0.086 -2.280 271 2HB CYS 35 3HB CYS 35 -6.602 1.013 -1.762 272 HG CYS 35 HG CYS 35 -4.412 2.206 -1.278 273 H SER 36 H SER 36 -5.593 -0.563 1.835 274 HA SER 36 HA SER 36 -7.522 1.510 2.537 275 1HB SER 36 2HB SER 36 -7.509 -1.155 3.945 276 2HB SER 36 3HB SER 36 -7.958 0.338 4.801 277 HG SER 36 HG SER 36 -9.054 -0.115 2.270 278 H VAL 37 H VAL 37 -6.202 3.056 3.003 279 HA VAL 37 HA VAL 37 -3.684 2.610 4.464 280 HB VAL 37 HB VAL 37 -3.459 5.148 3.816 281 1HG1 VAL 37 1HG1 VAL 37 -3.130 2.866 1.849 282 2HG1 VAL 37 2HG1 VAL 37 -2.451 4.499 1.650 283 3HG1 VAL 37 3HG1 VAL 37 -1.950 3.508 3.024 284 1HG2 VAL 37 1HG2 VAL 37 -5.841 5.239 2.885 285 2HG2 VAL 37 2HG2 VAL 37 -4.547 5.805 1.807 286 3HG2 VAL 37 3HG2 VAL 37 -5.265 4.209 1.552 287 H ALA 38 H ALA 38 -3.235 3.621 6.405 288 HA ALA 38 HA ALA 38 -5.245 5.463 7.597 289 1HB ALA 38 1HB ALA 38 -4.243 2.911 8.931 290 2HB ALA 38 2HB ALA 38 -5.194 4.185 9.720 291 3HB ALA 38 3HB ALA 38 -5.908 3.235 8.400 292 H LEU 39 H LEU 39 -4.107 7.208 8.249 293 HA LEU 39 HA LEU 39 -1.211 7.081 8.603 294 1HB LEU 39 2HB LEU 39 -1.314 9.497 8.840 295 2HB LEU 39 3HB LEU 39 -2.001 8.882 7.345 296 HG LEU 39 HG LEU 39 -4.287 9.312 8.161 297 1HD1 LEU 39 1HD1 LEU 39 -4.215 9.124 10.559 298 2HD1 LEU 39 2HD1 LEU 39 -2.890 10.313 10.681 299 3HD1 LEU 39 3HD1 LEU 39 -4.524 10.816 10.210 300 1HD2 LEU 39 1HD2 LEU 39 -2.957 11.037 6.950 301 2HD2 LEU 39 2HD2 LEU 39 -4.137 11.753 8.058 302 3HD2 LEU 39 3HD2 LEU 39 -2.418 11.691 8.507 303 H ALA 40 H ALA 40 -3.837 6.677 10.737 304 HA ALA 40 HA ALA 40 -2.465 7.631 13.134 305 1HB ALA 40 1HB ALA 40 -4.912 7.388 13.085 306 2HB ALA 40 2HB ALA 40 -4.759 5.644 12.775 307 3HB ALA 40 3HB ALA 40 -4.197 6.329 14.316 308 H THR 41 H THR 41 -3.094 4.465 11.590 309 HA THR 41 HA THR 41 -1.204 3.018 13.201 310 HB THR 41 HB THR 41 -2.412 2.180 10.566 311 HG1 THR 41 1HG THR 41 -3.732 2.498 13.025 312 1HG2 THR 41 1HG2 THR 41 -1.895 0.717 13.208 313 2HG2 THR 41 2HG2 THR 41 -2.624 -0.016 11.770 314 3HG2 THR 41 3HG2 THR 41 -0.940 0.539 11.722 315 H ASN 42 H ASN 42 -1.116 4.733 10.134 316 HA ASN 42 HA ASN 42 0.449 5.222 8.630 317 1HB ASN 42 2HB ASN 42 2.564 4.039 10.484 318 2HB ASN 42 3HB ASN 42 2.833 5.078 9.078 319 1HD2 ASN 42 1HD2 ASN 42 1.360 7.185 9.144 320 2HD2 ASN 42 2HD2 ASN 42 1.001 7.823 10.732 321 H LYS 43 H LYS 43 -1.127 3.128 8.182 322 HA LYS 43 HA LYS 43 0.615 0.895 7.231 323 1HB LYS 43 2HB LYS 43 -0.237 -0.161 9.045 324 2HB LYS 43 3HB LYS 43 -1.678 0.829 9.112 325 1HG LYS 43 2HG LYS 43 -1.426 -1.229 6.937 326 2HG LYS 43 3HG LYS 43 -1.885 -1.682 8.562 327 1HD LYS 43 2HD LYS 43 -3.380 0.578 7.174 328 2HD LYS 43 3HD LYS 43 -3.791 -1.094 6.851 329 1HE LYS 43 2HE LYS 43 -3.680 0.035 9.687 330 2HE LYS 43 3HE LYS 43 -5.111 0.180 8.677 331 1HZ LYS 43 1HZ LYS 43 -5.260 -2.187 8.560 332 2HZ LYS 43 2HZ LYS 43 -3.863 -2.426 9.322 333 3HZ LYS 43 3HZ LYS 43 -5.128 -1.774 10.145 334 H ALA 44 H ALA 44 0.022 -0.043 5.343 335 HA ALA 44 HA ALA 44 -2.513 0.848 4.048 336 1HB ALA 44 1HB ALA 44 0.056 0.306 2.529 337 2HB ALA 44 2HB ALA 44 -1.483 0.964 1.930 338 3HB ALA 44 3HB ALA 44 -0.464 1.924 3.019 339 H HIS 45 H HIS 45 -3.771 -0.847 4.261 340 HA HIS 45 HA HIS 45 -2.775 -3.651 3.910 341 1HB HIS 45 2HB HIS 45 -4.491 -3.031 5.715 342 2HB HIS 45 3HB HIS 45 -5.591 -2.663 4.396 343 HD1 HIS 45 1HD HIS 45 -4.595 -5.574 6.511 344 HD2 HIS 45 2HD HIS 45 -5.554 -4.851 2.495 345 HE1 HIS 45 1HE HIS 45 -5.286 -7.802 5.541 346 H ILE 46 H ILE 46 -2.187 -3.928 1.843 347 HA ILE 46 HA ILE 46 -4.190 -3.221 -0.248 348 HB ILE 46 HB ILE 46 -1.219 -3.809 -0.421 349 1HG1 ILE 46 2HG1 ILE 46 -1.253 -1.752 -1.801 350 2HG1 ILE 46 3HG1 ILE 46 -2.971 -1.527 -1.447 351 1HG2 ILE 46 1HG2 ILE 46 -1.613 -3.677 -2.925 352 2HG2 ILE 46 2HG2 ILE 46 -2.221 -5.147 -2.166 353 3HG2 ILE 46 3HG2 ILE 46 -3.345 -3.835 -2.601 354 1HD1 ILE 46 1HD1 ILE 46 -1.298 -0.144 -0.108 355 2HD1 ILE 46 2HD1 ILE 46 -2.489 -1.023 0.851 356 3HD1 ILE 46 3HD1 ILE 46 -0.819 -1.643 0.713 357 H LYS 47 H LYS 47 -5.422 -4.867 -0.882 358 HA LYS 47 HA LYS 47 -4.471 -7.672 -0.466 359 1HB LYS 47 2HB LYS 47 -7.217 -6.547 -1.057 360 2HB LYS 47 3HB LYS 47 -6.781 -8.238 -1.254 361 1HG LYS 47 2HG LYS 47 -5.974 -7.955 1.305 362 2HG LYS 47 3HG LYS 47 -7.124 -6.616 1.263 363 1HD LYS 47 2HD LYS 47 -8.374 -8.505 2.013 364 2HD LYS 47 3HD LYS 47 -8.829 -8.308 0.306 365 1HE LYS 47 2HE LYS 47 -7.023 -10.083 -0.253 366 2HE LYS 47 3HE LYS 47 -6.783 -10.280 1.475 367 1HZ LYS 47 1HZ LYS 47 -9.220 -10.902 -0.036 368 2HZ LYS 47 2HZ LYS 47 -8.117 -11.923 0.613 369 3HZ LYS 47 3HZ LYS 47 -9.058 -11.059 1.617 370 H TYR 48 H TYR 48 -4.258 -8.967 -2.377 371 HA TYR 48 HA TYR 48 -4.486 -7.758 -4.998 372 1HB TYR 48 2HB TYR 48 -2.152 -7.493 -5.406 373 2HB TYR 48 3HB TYR 48 -2.464 -6.589 -3.939 374 HD1 TYR 48 HD1 TYR 48 -0.406 -9.052 -5.476 375 HD2 TYR 48 HD2 TYR 48 -2.071 -8.015 -1.640 376 HE1 TYR 48 HE1 TYR 48 1.437 -10.259 -4.331 377 HE2 TYR 48 HE2 TYR 48 -0.504 -9.592 -0.557 378 HH TYR 48 HH TYR 48 1.354 -10.936 -0.831 379 H ASP 49 H ASP 49 -3.772 -9.146 -6.668 380 HA ASP 49 HA ASP 49 -3.542 -12.002 -5.843 381 1HB ASP 49 2HB ASP 49 -4.359 -10.670 -8.420 382 2HB ASP 49 3HB ASP 49 -3.947 -12.399 -8.307 383 HA PRO 50 HA PRO 50 0.746 -11.081 -6.325 384 1HB PRO 50 2HB PRO 50 1.882 -13.581 -6.070 385 2HB PRO 50 3HB PRO 50 1.173 -12.658 -4.717 386 1HG PRO 50 2HG PRO 50 -0.149 -14.830 -6.352 387 2HG PRO 50 3HG PRO 50 -0.116 -14.653 -4.573 388 1HD PRO 50 2HD PRO 50 -2.243 -13.831 -6.035 389 2HD PRO 50 3HD PRO 50 -1.679 -12.861 -4.638 390 H GLU 51 H GLU 51 -0.563 -13.669 -8.394 391 HA GLU 51 HA GLU 51 1.625 -13.879 -10.149 392 1HB GLU 51 2HB GLU 51 -0.023 -14.880 -11.718 393 2HB GLU 51 3HB GLU 51 -0.055 -15.565 -10.093 394 1HG GLU 51 2HG GLU 51 -2.107 -14.199 -9.574 395 2HG GLU 51 3HG GLU 51 -2.077 -13.593 -11.241 396 H ILE 52 H ILE 52 -1.117 -11.651 -10.196 397 HA ILE 52 HA ILE 52 -0.215 -10.399 -12.696 398 HB ILE 52 HB ILE 52 -2.537 -10.563 -12.436 399 1HG1 ILE 52 2HG1 ILE 52 -3.336 -8.246 -12.612 400 2HG1 ILE 52 3HG1 ILE 52 -1.792 -7.648 -11.998 401 1HG2 ILE 52 1HG2 ILE 52 -2.856 -10.808 -10.095 402 2HG2 ILE 52 2HG2 ILE 52 -2.453 -9.101 -9.806 403 3HG2 ILE 52 3HG2 ILE 52 -3.900 -9.546 -10.723 404 1HD1 ILE 52 1HD1 ILE 52 -1.997 -7.530 -14.478 405 2HD1 ILE 52 2HD1 ILE 52 -0.636 -8.546 -13.985 406 3HD1 ILE 52 3HD1 ILE 52 -2.151 -9.297 -14.543 407 H ILE 53 H ILE 53 -0.420 -9.503 -9.206 408 HA ILE 53 HA ILE 53 1.380 -7.184 -9.800 409 HB ILE 53 HB ILE 53 -1.165 -7.454 -8.312 410 1HG1 ILE 53 2HG1 ILE 53 -0.787 -6.098 -10.426 411 2HG1 ILE 53 3HG1 ILE 53 -1.544 -5.243 -9.067 412 1HG2 ILE 53 1HG2 ILE 53 1.104 -5.857 -7.134 413 2HG2 ILE 53 2HG2 ILE 53 -0.627 -5.494 -6.879 414 3HG2 ILE 53 3HG2 ILE 53 0.021 -7.040 -6.358 415 1HD1 ILE 53 1HD1 ILE 53 0.114 -3.870 -10.252 416 2HD1 ILE 53 2HD1 ILE 53 0.472 -4.073 -8.534 417 3HD1 ILE 53 3HD1 ILE 53 1.401 -4.978 -9.753 418 H GLY 54 H GLY 54 3.350 -7.993 -9.432 419 1HA GLY 54 2HA GLY 54 4.042 -9.618 -7.164 420 2HA GLY 54 1HA GLY 54 5.154 -8.611 -8.114 421 HA PRO 55 HA PRO 55 3.403 -6.546 -4.025 422 1HB PRO 55 2HB PRO 55 5.326 -7.164 -2.133 423 2HB PRO 55 3HB PRO 55 3.817 -8.080 -2.403 424 1HG PRO 55 2HG PRO 55 6.563 -8.690 -3.519 425 2HG PRO 55 3HG PRO 55 5.424 -9.816 -2.724 426 1HD PRO 55 2HD PRO 55 5.581 -9.687 -5.415 427 2HD PRO 55 3HD PRO 55 3.979 -9.825 -4.631 428 H ARG 56 H ARG 56 6.693 -6.927 -5.314 429 HA ARG 56 HA ARG 56 7.685 -4.455 -4.395 430 1HB ARG 56 2HB ARG 56 8.609 -6.536 -6.186 431 2HB ARG 56 3HB ARG 56 8.986 -4.952 -6.860 432 1HG ARG 56 2HG ARG 56 9.557 -5.661 -3.953 433 2HG ARG 56 3HG ARG 56 10.714 -5.997 -5.245 434 1HD ARG 56 2HD ARG 56 11.197 -3.785 -5.662 435 2HD ARG 56 3HD ARG 56 9.603 -3.209 -5.126 436 HE ARG 56 HE ARG 56 11.089 -4.249 -2.907 437 1HH1 ARG 56 2HH2 ARG 56 11.149 -1.470 -5.130 438 2HH1 ARG 56 1HH2 ARG 56 11.074 -0.284 -3.846 439 1HH2 ARG 56 2HH1 ARG 56 11.438 -2.625 -1.213 440 2HH2 ARG 56 1HH1 ARG 56 11.337 -0.940 -1.652 441 H ASP 57 H ASP 57 5.349 -5.018 -7.014 442 HA ASP 57 HA ASP 57 5.787 -2.465 -8.321 443 1HB ASP 57 2HB ASP 57 4.511 -4.219 -9.443 444 2HB ASP 57 3HB ASP 57 3.301 -4.221 -8.148 445 H ILE 58 H ILE 58 3.404 -3.616 -5.929 446 HA ILE 58 HA ILE 58 2.191 -1.168 -5.265 447 HB ILE 58 HB ILE 58 2.775 -3.640 -3.601 448 1HG1 ILE 58 2HG1 ILE 58 0.054 -2.836 -4.590 449 2HG1 ILE 58 3HG1 ILE 58 1.170 -3.607 -5.720 450 1HG2 ILE 58 1HG2 ILE 58 0.966 -2.804 -2.055 451 2HG2 ILE 58 2HG2 ILE 58 2.417 -1.813 -2.009 452 3HG2 ILE 58 3HG2 ILE 58 1.001 -1.258 -2.924 453 1HD1 ILE 58 1HD1 ILE 58 0.541 -4.797 -2.993 454 2HD1 ILE 58 2HD1 ILE 58 -0.294 -5.239 -4.494 455 3HD1 ILE 58 3HD1 ILE 58 1.445 -5.525 -4.334 456 H ILE 59 H ILE 59 5.069 -2.758 -3.705 457 HA ILE 59 HA ILE 59 5.547 -0.661 -1.897 458 HB ILE 59 HB ILE 59 7.386 -2.716 -3.133 459 1HG1 ILE 59 2HG1 ILE 59 6.265 -2.608 -0.298 460 2HG1 ILE 59 3HG1 ILE 59 5.323 -3.339 -1.596 461 1HG2 ILE 59 1HG2 ILE 59 7.842 -0.738 -0.884 462 2HG2 ILE 59 2HG2 ILE 59 8.845 -2.184 -1.121 463 3HG2 ILE 59 3HG2 ILE 59 8.776 -0.938 -2.379 464 1HD1 ILE 59 1HD1 ILE 59 6.536 -5.067 -0.439 465 2HD1 ILE 59 2HD1 ILE 59 7.133 -4.913 -2.101 466 3HD1 ILE 59 3HD1 ILE 59 8.089 -4.268 -0.745 467 H HIS 60 H HIS 60 6.940 -1.093 -5.243 468 HA HIS 60 HA HIS 60 8.442 1.308 -5.256 469 1HB HIS 60 2HB HIS 60 6.976 -0.119 -7.521 470 2HB HIS 60 3HB HIS 60 7.993 1.301 -7.756 471 HD1 HIS 60 1HD HIS 60 8.369 -2.157 -8.257 472 HD2 HIS 60 2HD HIS 60 10.577 0.777 -6.211 473 HE1 HIS 60 1HE HIS 60 10.743 -3.076 -8.003 474 H THR 61 H THR 61 4.956 0.763 -5.828 475 HA THR 61 HA THR 61 4.403 3.363 -6.876 476 HB THR 61 HB THR 61 2.530 1.588 -5.228 477 HG1 THR 61 1HG THR 61 3.502 0.473 -7.010 478 1HG2 THR 61 1HG2 THR 61 1.609 3.795 -5.603 479 2HG2 THR 61 2HG2 THR 61 1.991 3.698 -7.341 480 3HG2 THR 61 3HG2 THR 61 0.788 2.607 -6.621 481 H ILE 62 H ILE 62 4.147 2.020 -3.582 482 HA ILE 62 HA ILE 62 3.476 4.436 -2.240 483 HB ILE 62 HB ILE 62 4.493 1.706 -1.522 484 1HG1 ILE 62 2HG1 ILE 62 2.521 1.782 -0.033 485 2HG1 ILE 62 3HG1 ILE 62 2.252 3.485 -0.438 486 1HG2 ILE 62 1HG2 ILE 62 5.950 3.018 -0.052 487 2HG2 ILE 62 2HG2 ILE 62 4.565 4.029 0.424 488 3HG2 ILE 62 3HG2 ILE 62 4.641 2.316 0.886 489 1HD1 ILE 62 1HD1 ILE 62 1.706 2.845 -2.763 490 2HD1 ILE 62 2HD1 ILE 62 2.041 1.138 -2.358 491 3HD1 ILE 62 3HD1 ILE 62 0.712 2.003 -1.571 492 H GLU 63 H GLU 63 6.714 2.899 -2.619 493 HA GLU 63 HA GLU 63 8.223 4.825 -1.314 494 1HB GLU 63 2HB GLU 63 8.868 3.062 -3.699 495 2HB GLU 63 3HB GLU 63 10.083 4.061 -2.894 496 1HG GLU 63 2HG GLU 63 9.797 2.905 -0.796 497 2HG GLU 63 3HG GLU 63 8.420 1.984 -1.405 498 H SER 64 H SER 64 7.549 4.631 -4.805 499 HA SER 64 HA SER 64 8.857 6.976 -5.605 500 1HB SER 64 2HB SER 64 8.117 5.139 -7.106 501 2HB SER 64 3HB SER 64 6.429 5.624 -6.869 502 HG SER 64 HG SER 64 8.485 7.274 -7.950 503 H LEU 65 H LEU 65 5.362 6.517 -4.736 504 HA LEU 65 HA LEU 65 4.596 9.080 -5.541 505 1HB LEU 65 2HB LEU 65 3.478 7.149 -3.504 506 2HB LEU 65 3HB LEU 65 2.683 8.698 -3.806 507 HG LEU 65 HG LEU 65 3.263 6.726 -6.049 508 1HD1 LEU 65 1HD1 LEU 65 0.946 6.016 -5.825 509 2HD1 LEU 65 2HD1 LEU 65 1.782 5.745 -4.280 510 3HD1 LEU 65 3HD1 LEU 65 0.695 7.140 -4.471 511 1HD2 LEU 65 1HD2 LEU 65 2.837 9.028 -6.842 512 2HD2 LEU 65 2HD2 LEU 65 1.454 7.992 -7.192 513 3HD2 LEU 65 3HD2 LEU 65 1.380 9.122 -5.828 514 H GLY 66 H GLY 66 5.580 8.138 -2.174 515 1HA GLY 66 2HA GLY 66 6.660 10.811 -1.884 516 2HA GLY 66 1HA GLY 66 5.163 10.650 -0.966 517 H PHE 67 H PHE 67 7.069 7.655 -0.959 518 HA PHE 67 HA PHE 67 7.105 8.256 1.987 519 1HB PHE 67 2HB PHE 67 5.592 6.061 0.562 520 2HB PHE 67 3HB PHE 67 5.526 6.440 2.277 521 HD1 PHE 67 1HD PHE 67 5.010 9.089 2.713 522 HD2 PHE 67 2HD PHE 67 3.738 6.844 -0.733 523 HE1 PHE 67 1HE PHE 67 3.431 10.888 2.132 524 HE2 PHE 67 2HE PHE 67 2.220 8.679 -1.365 525 HZ PHE 67 HZ PHE 67 2.007 10.695 0.108 526 H GLU 68 H GLU 68 7.532 6.114 3.207 527 HA GLU 68 HA GLU 68 9.583 4.453 1.791 528 1HB GLU 68 2HB GLU 68 9.506 4.472 4.762 529 2HB GLU 68 3HB GLU 68 10.859 4.218 3.683 530 1HG GLU 68 2HG GLU 68 11.153 6.614 3.383 531 2HG GLU 68 3HG GLU 68 9.639 6.969 4.245 532 H ALA 69 H ALA 69 9.330 2.181 2.257 533 HA ALA 69 HA ALA 69 6.666 1.401 3.378 534 1HB ALA 69 1HB ALA 69 8.434 0.070 1.275 535 2HB ALA 69 2HB ALA 69 6.919 -0.608 1.900 536 3HB ALA 69 3HB ALA 69 6.895 0.902 0.965 537 H SER 70 H SER 70 6.667 -0.206 4.974 538 HA SER 70 HA SER 70 9.140 -1.774 5.445 539 1HB SER 70 2HB SER 70 7.754 -0.154 7.614 540 2HB SER 70 3HB SER 70 9.099 -1.283 7.846 541 HG SER 70 HG SER 70 9.748 0.378 5.880 542 H LEU 71 H LEU 71 8.373 -3.770 5.120 543 HA LEU 71 HA LEU 71 5.601 -4.510 5.456 544 1HB LEU 71 2HB LEU 71 6.351 -6.724 4.769 545 2HB LEU 71 3HB LEU 71 6.772 -5.450 3.638 546 HG LEU 71 HG LEU 71 8.938 -5.999 5.602 547 1HD1 LEU 71 1HD1 LEU 71 8.053 -8.285 5.418 548 2HD1 LEU 71 2HD1 LEU 71 8.109 -8.181 3.644 549 3HD1 LEU 71 3HD1 LEU 71 9.613 -8.141 4.591 550 1HD2 LEU 71 1HD2 LEU 71 8.868 -6.041 2.549 551 2HD2 LEU 71 2HD2 LEU 71 9.213 -4.602 3.525 552 3HD2 LEU 71 3HD2 LEU 71 10.314 -5.987 3.575 553 H VAL 72 H VAL 72 5.639 -3.721 7.748 554 HA VAL 72 HA VAL 72 6.830 -5.184 9.794 555 HB VAL 72 HB VAL 72 5.785 -2.991 10.049 556 1HG1 VAL 72 1HG1 VAL 72 3.415 -2.685 10.394 557 2HG1 VAL 72 2HG1 VAL 72 3.660 -3.372 8.781 558 3HG1 VAL 72 3HG1 VAL 72 3.077 -4.393 10.117 559 1HG2 VAL 72 1HG2 VAL 72 4.881 -3.334 12.302 560 2HG2 VAL 72 2HG2 VAL 72 4.693 -5.071 11.987 561 3HG2 VAL 72 3HG2 VAL 72 6.312 -4.346 12.027 562 H LYS 73 H LYS 73 3.661 -5.783 8.265 563 HA LYS 73 HA LYS 73 2.047 -7.303 8.759 564 1HB LYS 73 2HB LYS 73 3.408 -8.163 6.870 565 2HB LYS 73 3HB LYS 73 4.397 -9.050 8.032 566 1HG LYS 73 2HG LYS 73 3.065 -10.717 7.267 567 2HG LYS 73 3HG LYS 73 2.158 -10.274 8.694 568 1HD LYS 73 2HD LYS 73 1.546 -9.503 5.797 569 2HD LYS 73 3HD LYS 73 0.730 -10.730 6.777 570 1HE LYS 73 2HE LYS 73 0.097 -8.819 8.399 571 2HE LYS 73 3HE LYS 73 0.662 -7.717 7.120 572 1HZ LYS 73 1HZ LYS 73 -1.522 -9.674 6.872 573 2HZ LYS 73 2HZ LYS 73 -1.694 -8.049 7.004 574 3HZ LYS 73 3HZ LYS 73 -1.001 -8.698 5.652 575 H ILE 74 H ILE 74 1.948 -6.758 10.989 576 HA ILE 74 HA ILE 74 3.193 -8.134 13.104 577 HB ILE 74 HB ILE 74 0.406 -6.911 12.938 578 1HG1 ILE 74 2HG1 ILE 74 3.050 -5.767 13.964 579 2HG1 ILE 74 3HG1 ILE 74 2.284 -5.346 12.428 580 1HG2 ILE 74 1HG2 ILE 74 0.516 -6.763 15.424 581 2HG2 ILE 74 2HG2 ILE 74 0.520 -8.423 14.881 582 3HG2 ILE 74 3HG2 ILE 74 2.042 -7.670 15.401 583 1HD1 ILE 74 1HD1 ILE 74 0.277 -4.517 13.693 584 2HD1 ILE 74 2HD1 ILE 74 1.230 -4.690 15.189 585 3HD1 ILE 74 3HD1 ILE 74 1.775 -3.593 13.917 586 H GLU 75 H GLU 75 2.531 -9.922 14.413 587 HA GLU 75 HA GLU 75 0.434 -11.711 13.526 588 1HB GLU 75 2HB GLU 75 2.030 -13.629 13.988 589 2HB GLU 75 3HB GLU 75 2.284 -12.794 12.449 590 1HG GLU 75 2HG GLU 75 4.217 -11.586 13.358 591 2HG GLU 75 3HG GLU 75 3.928 -12.289 14.961 Start of MODEL 10 1 1H MET 1 H1 MET 1 -3.750 -15.560 -7.703 2 2H MET 1 H2 MET 1 -3.937 -16.544 -8.999 3 3H MET 1 H3 MET 1 -5.171 -15.644 -8.360 4 HA MET 1 HA MET 1 -4.931 -18.214 -7.747 5 1HB MET 1 2HB MET 1 -2.952 -16.696 -6.031 6 2HB MET 1 3HB MET 1 -3.841 -18.041 -5.316 7 1HG MET 1 2HG MET 1 -1.680 -18.767 -6.159 8 2HG MET 1 3HG MET 1 -3.026 -19.602 -6.943 9 1HE MET 1 1HE MET 1 -1.393 -20.579 -8.756 10 2HE MET 1 2HE MET 1 -0.296 -19.570 -9.729 11 3HE MET 1 3HE MET 1 -0.023 -19.740 -7.977 12 H GLY 2 H GLY 2 -5.963 -15.012 -6.695 13 1HA GLY 2 2HA GLY 2 -8.405 -15.412 -5.882 14 2HA GLY 2 1HA GLY 2 -7.592 -16.105 -4.465 15 H ASP 3 H ASP 3 -6.369 -14.739 -3.059 16 HA ASP 3 HA ASP 3 -5.599 -12.157 -3.915 17 1HB ASP 3 2HB ASP 3 -6.742 -10.701 -2.626 18 2HB ASP 3 3HB ASP 3 -8.052 -11.812 -3.027 19 H GLY 4 H GLY 4 -4.164 -11.175 -2.365 20 1HA GLY 4 2HA GLY 4 -3.292 -12.796 -0.037 21 2HA GLY 4 1HA GLY 4 -2.117 -12.022 -1.126 22 H VAL 5 H VAL 5 -3.720 -11.561 1.702 23 HA VAL 5 HA VAL 5 -4.201 -8.676 1.448 24 HB VAL 5 HB VAL 5 -5.790 -9.906 2.709 25 1HG1 VAL 5 1HG1 VAL 5 -5.393 -11.014 4.809 26 2HG1 VAL 5 2HG1 VAL 5 -4.453 -11.818 3.550 27 3HG1 VAL 5 3HG1 VAL 5 -3.654 -10.736 4.712 28 1HG2 VAL 5 1HG2 VAL 5 -4.109 -8.243 4.628 29 2HG2 VAL 5 2HG2 VAL 5 -5.176 -7.574 3.379 30 3HG2 VAL 5 3HG2 VAL 5 -5.853 -8.542 4.703 31 H LEU 6 H LEU 6 -2.504 -7.385 1.399 32 HA LEU 6 HA LEU 6 -0.294 -7.797 3.389 33 1HB LEU 6 2HB LEU 6 -0.251 -6.700 0.614 34 2HB LEU 6 3HB LEU 6 0.743 -5.913 1.836 35 HG LEU 6 HG LEU 6 1.957 -7.582 0.577 36 1HD1 LEU 6 1HD1 LEU 6 3.166 -8.584 2.381 37 2HD1 LEU 6 2HD1 LEU 6 2.675 -6.950 2.851 38 3HD1 LEU 6 3HD1 LEU 6 1.821 -8.361 3.507 39 1HD2 LEU 6 1HD2 LEU 6 1.638 -9.950 0.791 40 2HD2 LEU 6 2HD2 LEU 6 0.365 -9.743 2.003 41 3HD2 LEU 6 3HD2 LEU 6 0.073 -9.260 0.320 42 H GLU 7 H GLU 7 -1.563 -7.112 5.000 43 HA GLU 7 HA GLU 7 -2.127 -4.191 4.994 44 1HB GLU 7 2HB GLU 7 -3.714 -5.829 6.215 45 2HB GLU 7 3HB GLU 7 -2.435 -5.911 7.450 46 1HG GLU 7 2HG GLU 7 -2.455 -3.408 7.549 47 2HG GLU 7 3HG GLU 7 -3.714 -3.359 6.338 48 H LEU 8 H LEU 8 -0.221 -3.330 4.628 49 HA LEU 8 HA LEU 8 2.055 -4.129 6.402 50 1HB LEU 8 2HB LEU 8 3.526 -3.150 4.640 51 2HB LEU 8 3HB LEU 8 2.715 -4.677 4.283 52 HG LEU 8 HG LEU 8 1.063 -3.474 2.851 53 1HD1 LEU 8 1HD1 LEU 8 2.968 -1.137 3.332 54 2HD1 LEU 8 2HD1 LEU 8 1.751 -1.205 2.038 55 3HD1 LEU 8 3HD1 LEU 8 1.236 -1.211 3.728 56 1HD2 LEU 8 1HD2 LEU 8 4.008 -3.158 2.136 57 2HD2 LEU 8 2HD2 LEU 8 3.038 -4.631 1.925 58 3HD2 LEU 8 3HD2 LEU 8 2.650 -3.180 0.990 59 H VAL 9 H VAL 9 3.461 -2.348 7.117 60 HA VAL 9 HA VAL 9 1.878 0.007 7.851 61 HB VAL 9 HB VAL 9 4.340 -1.313 8.817 62 1HG1 VAL 9 1HG1 VAL 9 5.254 0.662 9.801 63 2HG1 VAL 9 2HG1 VAL 9 5.380 0.752 8.049 64 3HG1 VAL 9 3HG1 VAL 9 4.135 1.712 8.906 65 1HG2 VAL 9 1HG2 VAL 9 2.328 0.501 10.188 66 2HG2 VAL 9 2HG2 VAL 9 2.117 -1.248 9.991 67 3HG2 VAL 9 3HG2 VAL 9 3.475 -0.620 10.943 68 H VAL 10 H VAL 10 2.307 2.075 6.940 69 HA VAL 10 HA VAL 10 4.329 2.288 4.830 70 HB VAL 10 HB VAL 10 1.451 3.318 4.772 71 1HG1 VAL 10 1HG1 VAL 10 3.076 4.985 3.964 72 2HG1 VAL 10 2HG1 VAL 10 3.781 3.777 2.878 73 3HG1 VAL 10 3HG1 VAL 10 2.106 4.339 2.627 74 1HG2 VAL 10 1HG2 VAL 10 1.490 2.011 2.572 75 2HG2 VAL 10 2HG2 VAL 10 3.020 1.299 3.115 76 3HG2 VAL 10 3HG2 VAL 10 1.532 1.028 4.054 77 H ARG 11 H ARG 11 5.654 3.953 5.338 78 HA ARG 11 HA ARG 11 4.797 5.841 7.501 79 1HB ARG 11 2HB ARG 11 7.590 4.711 7.085 80 2HB ARG 11 3HB ARG 11 7.080 5.887 8.289 81 1HG ARG 11 2HG ARG 11 5.375 4.137 9.064 82 2HG ARG 11 3HG ARG 11 6.193 2.986 8.004 83 1HD ARG 11 2HD ARG 11 8.257 3.135 9.209 84 2HD ARG 11 3HD ARG 11 7.692 4.460 10.218 85 HE ARG 11 HE ARG 11 7.249 1.604 10.609 86 1HH1 ARG 11 2HH2 ARG 11 5.778 4.742 11.144 87 2HH1 ARG 11 1HH2 ARG 11 4.465 4.151 12.130 88 1HH2 ARG 11 2HH1 ARG 11 5.685 0.793 12.112 89 2HH2 ARG 11 1HH1 ARG 11 4.560 1.886 12.860 90 H GLY 12 H GLY 12 5.660 7.985 7.311 91 1HA GLY 12 2HA GLY 12 6.435 9.799 6.029 92 2HA GLY 12 1HA GLY 12 6.399 8.837 4.554 93 H MET 13 H MET 13 3.494 8.063 5.971 94 HA MET 13 HA MET 13 1.925 9.885 4.350 95 1HB MET 13 2HB MET 13 1.146 7.923 6.548 96 2HB MET 13 3HB MET 13 -0.003 8.873 5.583 97 1HG MET 13 2HG MET 13 1.041 7.878 3.518 98 2HG MET 13 3HG MET 13 1.876 6.742 4.585 99 1HE MET 13 1HE MET 13 -1.255 4.896 6.169 100 2HE MET 13 2HE MET 13 0.506 5.132 6.273 101 3HE MET 13 3HE MET 13 -0.611 6.422 6.803 102 H THR 14 H THR 14 3.014 11.829 5.252 103 HA THR 14 HA THR 14 2.595 12.541 7.969 104 HB THR 14 HB THR 14 4.375 13.464 6.591 105 HG1 THR 14 1HG THR 14 4.184 15.585 7.386 106 1HG2 THR 14 1HG2 THR 14 2.225 15.139 5.218 107 2HG2 THR 14 2HG2 THR 14 3.975 15.370 5.073 108 3HG2 THR 14 3HG2 THR 14 3.242 13.887 4.467 109 H CYS 15 H CYS 15 0.438 13.077 5.135 110 HA CYS 15 HA CYS 15 -1.635 14.021 7.005 111 1HB CYS 15 2HB CYS 15 -1.925 16.152 5.941 112 2HB CYS 15 3HB CYS 15 -0.224 16.010 6.355 113 H ALA 16 H ALA 16 -3.614 14.645 5.789 114 HA ALA 16 HA ALA 16 -4.862 12.544 4.565 115 1HB ALA 16 1HB ALA 16 -5.400 15.506 4.130 116 2HB ALA 16 2HB ALA 16 -6.533 14.180 3.795 117 3HB ALA 16 3HB ALA 16 -6.018 14.504 5.463 118 H SER 17 H SER 17 -3.105 15.224 2.927 119 HA SER 17 HA SER 17 -3.763 14.577 0.282 120 1HB SER 17 2HB SER 17 -1.198 15.862 1.270 121 2HB SER 17 3HB SER 17 -1.954 16.033 -0.321 122 HG SER 17 HG SER 17 -3.806 16.919 0.802 123 H CYS 18 H CYS 18 -1.302 13.114 2.439 124 HA CYS 18 HA CYS 18 -0.040 11.590 0.266 125 1HB CYS 18 2HB CYS 18 -0.019 11.148 3.291 126 2HB CYS 18 3HB CYS 18 1.010 10.375 2.099 127 H VAL 19 H VAL 19 -2.193 11.025 2.987 128 HA VAL 19 HA VAL 19 -2.618 8.301 2.793 129 HB VAL 19 HB VAL 19 -4.417 10.543 3.736 130 1HG1 VAL 19 1HG1 VAL 19 -5.639 9.063 5.132 131 2HG1 VAL 19 2HG1 VAL 19 -5.750 8.405 3.495 132 3HG1 VAL 19 3HG1 VAL 19 -4.633 7.685 4.687 133 1HG2 VAL 19 1HG2 VAL 19 -2.688 8.691 5.425 134 2HG2 VAL 19 2HG2 VAL 19 -2.046 10.201 4.794 135 3HG2 VAL 19 3HG2 VAL 19 -3.434 10.246 5.862 136 H HIS 20 H HIS 20 -4.881 10.808 1.461 137 HA HIS 20 HA HIS 20 -6.454 8.767 0.189 138 1HB HIS 20 2HB HIS 20 -7.881 10.372 -0.484 139 2HB HIS 20 3HB HIS 20 -7.160 11.147 0.924 140 HD1 HIS 20 1HD HIS 20 -8.451 12.313 -2.046 141 HD2 HIS 20 2HD HIS 20 -4.573 12.469 -0.443 142 HE1 HIS 20 1HE HIS 20 -7.266 14.265 -3.188 143 H LYS 21 H LYS 21 -3.564 10.495 -0.815 144 HA LYS 21 HA LYS 21 -3.983 10.151 -3.637 145 1HB LYS 21 2HB LYS 21 -2.552 11.913 -2.777 146 2HB LYS 21 3HB LYS 21 -1.450 10.734 -2.046 147 1HG LYS 21 2HG LYS 21 -0.567 11.677 -4.108 148 2HG LYS 21 3HG LYS 21 -0.789 9.928 -4.270 149 1HD LYS 21 2HD LYS 21 -2.809 10.214 -5.561 150 2HD LYS 21 3HD LYS 21 -2.883 11.947 -5.161 151 1HE LYS 21 2HE LYS 21 -0.760 12.303 -6.455 152 2HE LYS 21 3HE LYS 21 -0.759 10.585 -6.893 153 1HZ LYS 21 1HZ LYS 21 -2.870 10.956 -8.011 154 2HZ LYS 21 2HZ LYS 21 -2.844 12.549 -7.604 155 3HZ LYS 21 3HZ LYS 21 -1.703 11.944 -8.619 156 H ILE 22 H ILE 22 -2.320 8.328 -1.042 157 HA ILE 22 HA ILE 22 -1.214 6.292 -2.699 158 HB ILE 22 HB ILE 22 -2.211 6.209 0.163 159 1HG1 ILE 22 2HG1 ILE 22 0.660 6.127 -0.820 160 2HG1 ILE 22 3HG1 ILE 22 -0.177 7.680 -0.715 161 1HG2 ILE 22 1HG2 ILE 22 -2.208 3.900 -0.675 162 2HG2 ILE 22 2HG2 ILE 22 -0.599 4.135 -1.397 163 3HG2 ILE 22 3HG2 ILE 22 -0.801 4.134 0.363 164 1HD1 ILE 22 1HD1 ILE 22 1.073 7.290 1.298 165 2HD1 ILE 22 2HD1 ILE 22 -0.670 7.341 1.626 166 3HD1 ILE 22 3HD1 ILE 22 0.193 5.777 1.604 167 H GLU 23 H GLU 23 -4.358 6.174 -0.896 168 HA GLU 23 HA GLU 23 -5.452 3.891 -2.074 169 1HB GLU 23 2HB GLU 23 -6.586 6.447 -0.936 170 2HB GLU 23 3HB GLU 23 -7.686 5.372 -1.803 171 1HG GLU 23 2HG GLU 23 -7.275 3.544 -0.410 172 2HG GLU 23 3HG GLU 23 -5.861 4.288 0.346 173 H SER 24 H SER 24 -5.964 7.227 -3.242 174 HA SER 24 HA SER 24 -7.370 6.545 -5.581 175 1HB SER 24 2HB SER 24 -7.280 8.817 -4.594 176 2HB SER 24 3HB SER 24 -5.556 8.934 -4.985 177 HG SER 24 HG SER 24 -7.619 8.606 -6.911 178 H SER 25 H SER 25 -3.815 6.619 -5.079 179 HA SER 25 HA SER 25 -3.292 6.549 -7.958 180 1HB SER 25 2HB SER 25 -1.619 7.488 -6.423 181 2HB SER 25 3HB SER 25 -1.483 5.940 -5.576 182 HG SER 25 HG SER 25 0.131 6.294 -7.217 183 H LEU 26 H LEU 26 -3.187 4.246 -5.187 184 HA LEU 26 HA LEU 26 -2.289 2.102 -6.770 185 1HB LEU 26 2HB LEU 26 -3.379 2.443 -3.999 186 2HB LEU 26 3HB LEU 26 -3.316 0.840 -4.708 187 HG LEU 26 HG LEU 26 -0.931 0.973 -5.105 188 1HD1 LEU 26 1HD1 LEU 26 0.447 2.816 -4.238 189 2HD1 LEU 26 2HD1 LEU 26 -0.631 3.404 -5.509 190 3HD1 LEU 26 3HD1 LEU 26 -1.002 3.729 -3.802 191 1HD2 LEU 26 1HD2 LEU 26 -0.205 1.045 -2.719 192 2HD2 LEU 26 2HD2 LEU 26 -1.748 1.793 -2.289 193 3HD2 LEU 26 3HD2 LEU 26 -1.721 0.144 -2.956 194 H THR 27 H THR 27 -5.555 3.194 -5.890 195 HA THR 27 HA THR 27 -6.938 1.010 -7.183 196 HB THR 27 HB THR 27 -8.026 3.780 -6.576 197 HG1 THR 27 1HG THR 27 -7.159 2.992 -4.695 198 1HG2 THR 27 1HG2 THR 27 -10.135 2.513 -6.284 199 2HG2 THR 27 2HG2 THR 27 -9.511 2.278 -7.927 200 3HG2 THR 27 3HG2 THR 27 -9.307 1.001 -6.702 201 H LYS 28 H LYS 28 -5.431 1.118 -8.904 202 HA LYS 28 HA LYS 28 -6.630 2.027 -11.351 203 1HB LYS 28 2HB LYS 28 -4.979 3.379 -12.295 204 2HB LYS 28 3HB LYS 28 -5.163 4.013 -10.658 205 1HG LYS 28 2HG LYS 28 -3.138 2.552 -10.049 206 2HG LYS 28 3HG LYS 28 -2.899 2.267 -11.760 207 1HD LYS 28 2HD LYS 28 -2.598 4.603 -12.259 208 2HD LYS 28 3HD LYS 28 -3.049 5.096 -10.627 209 1HE LYS 28 2HE LYS 28 -0.609 3.393 -11.327 210 2HE LYS 28 3HE LYS 28 -0.558 5.137 -11.033 211 1HZ LYS 28 1HZ LYS 28 -0.678 4.810 -8.806 212 2HZ LYS 28 2HZ LYS 28 -1.861 3.721 -8.973 213 3HZ LYS 28 3HZ LYS 28 -0.333 3.192 -9.104 214 H HIS 29 H HIS 29 -3.780 0.497 -9.698 215 HA HIS 29 HA HIS 29 -2.991 -1.004 -12.024 216 1HB HIS 29 2HB HIS 29 -2.538 -1.802 -9.130 217 2HB HIS 29 3HB HIS 29 -1.605 -2.287 -10.542 218 HD1 HIS 29 1HD HIS 29 0.106 -0.309 -11.503 219 HD2 HIS 29 2HD HIS 29 -1.842 0.259 -7.837 220 HE1 HIS 29 1HE HIS 29 1.294 1.634 -10.313 221 H ARG 30 H ARG 30 -4.495 -2.411 -12.990 222 HA ARG 30 HA ARG 30 -6.504 -3.820 -11.524 223 1HB ARG 30 2HB ARG 30 -5.114 -4.620 -14.133 224 2HB ARG 30 3HB ARG 30 -6.644 -5.282 -13.533 225 1HG ARG 30 2HG ARG 30 -7.705 -3.056 -13.699 226 2HG ARG 30 3HG ARG 30 -6.185 -2.354 -14.289 227 1HD ARG 30 2HD ARG 30 -6.209 -3.936 -16.208 228 2HD ARG 30 3HD ARG 30 -7.789 -4.554 -15.654 229 HE ARG 30 HE ARG 30 -8.020 -1.758 -15.876 230 1HH1 ARG 30 2HH2 ARG 30 -7.469 -4.518 -17.990 231 2HH1 ARG 30 1HH2 ARG 30 -8.127 -3.783 -19.419 232 1HH2 ARG 30 2HH1 ARG 30 -8.916 -0.727 -17.754 233 2HH2 ARG 30 1HH1 ARG 30 -8.981 -1.567 -19.268 234 H GLY 31 H GLY 31 -3.109 -4.367 -11.726 235 1HA GLY 31 2HA GLY 31 -2.794 -7.026 -10.924 236 2HA GLY 31 1HA GLY 31 -1.808 -5.646 -10.429 237 H ILE 32 H ILE 32 -3.922 -4.149 -9.049 238 HA ILE 32 HA ILE 32 -4.019 -5.813 -6.598 239 HB ILE 32 HB ILE 32 -4.119 -3.971 -5.290 240 1HG1 ILE 32 2HG1 ILE 32 -3.802 -1.614 -6.086 241 2HG1 ILE 32 3HG1 ILE 32 -4.376 -2.111 -7.663 242 1HG2 ILE 32 1HG2 ILE 32 -1.971 -2.938 -5.656 243 2HG2 ILE 32 2HG2 ILE 32 -1.910 -4.633 -6.166 244 3HG2 ILE 32 3HG2 ILE 32 -2.015 -3.342 -7.381 245 1HD1 ILE 32 1HD1 ILE 32 -5.931 -2.421 -5.061 246 2HD1 ILE 32 2HD1 ILE 32 -6.066 -1.025 -6.137 247 3HD1 ILE 32 3HD1 ILE 32 -6.592 -2.607 -6.706 248 H LEU 33 H LEU 33 -5.887 -5.711 -5.277 249 HA LEU 33 HA LEU 33 -8.426 -5.599 -6.853 250 1HB LEU 33 2HB LEU 33 -7.744 -7.113 -4.309 251 2HB LEU 33 3HB LEU 33 -9.273 -7.180 -5.188 252 HG LEU 33 HG LEU 33 -6.576 -8.080 -6.320 253 1HD1 LEU 33 1HD1 LEU 33 -7.427 -10.359 -5.979 254 2HD1 LEU 33 2HD1 LEU 33 -7.288 -9.476 -4.451 255 3HD1 LEU 33 3HD1 LEU 33 -8.884 -9.712 -5.196 256 1HD2 LEU 33 1HD2 LEU 33 -7.980 -9.197 -8.048 257 2HD2 LEU 33 2HD2 LEU 33 -9.417 -8.389 -7.388 258 3HD2 LEU 33 3HD2 LEU 33 -8.107 -7.438 -8.127 259 H TYR 34 H TYR 34 -6.820 -4.637 -3.764 260 HA TYR 34 HA TYR 34 -8.601 -2.340 -3.663 261 1HB TYR 34 2HB TYR 34 -9.863 -4.229 -2.468 262 2HB TYR 34 3HB TYR 34 -8.537 -4.253 -1.299 263 HD1 TYR 34 HD1 TYR 34 -8.892 -3.122 0.697 264 HD2 TYR 34 HD2 TYR 34 -10.823 -1.718 -2.897 265 HE1 TYR 34 HE1 TYR 34 -10.094 -1.401 2.008 266 HE2 TYR 34 HE2 TYR 34 -11.924 0.080 -1.600 267 HH TYR 34 HH TYR 34 -12.186 1.055 0.483 268 H CYS 35 H CYS 35 -7.948 -0.776 -2.109 269 HA CYS 35 HA CYS 35 -5.498 -1.174 -0.536 270 1HB CYS 35 2HB CYS 35 -4.625 -0.097 -2.568 271 2HB CYS 35 3HB CYS 35 -5.909 1.135 -2.471 272 HG CYS 35 HG CYS 35 -3.795 2.272 -1.620 273 H SER 36 H SER 36 -6.004 -0.327 1.525 274 HA SER 36 HA SER 36 -7.128 2.253 1.383 275 1HB SER 36 2HB SER 36 -9.271 1.159 1.687 276 2HB SER 36 3HB SER 36 -8.676 0.319 3.143 277 HG SER 36 HG SER 36 -8.670 3.160 2.861 278 H VAL 37 H VAL 37 -6.569 3.590 3.147 279 HA VAL 37 HA VAL 37 -4.232 2.427 4.612 280 HB VAL 37 HB VAL 37 -3.229 4.722 4.354 281 1HG1 VAL 37 1HG1 VAL 37 -3.918 3.305 1.750 282 2HG1 VAL 37 2HG1 VAL 37 -2.629 4.502 1.999 283 3HG1 VAL 37 3HG1 VAL 37 -2.565 2.949 2.839 284 1HG2 VAL 37 1HG2 VAL 37 -4.142 6.319 2.899 285 2HG2 VAL 37 2HG2 VAL 37 -5.322 5.198 2.232 286 3HG2 VAL 37 3HG2 VAL 37 -5.549 5.809 3.875 287 H ALA 38 H ALA 38 -3.500 3.700 6.527 288 HA ALA 38 HA ALA 38 -5.637 5.272 7.808 289 1HB ALA 38 1HB ALA 38 -5.633 4.114 9.903 290 2HB ALA 38 2HB ALA 38 -6.037 2.950 8.619 291 3HB ALA 38 3HB ALA 38 -4.401 2.979 9.363 292 H LEU 39 H LEU 39 -4.926 6.798 9.094 293 HA LEU 39 HA LEU 39 -2.232 7.713 8.743 294 1HB LEU 39 2HB LEU 39 -4.454 8.840 10.528 295 2HB LEU 39 3HB LEU 39 -2.942 9.621 10.073 296 HG LEU 39 HG LEU 39 -3.961 8.982 7.599 297 1HD1 LEU 39 1HD1 LEU 39 -6.342 9.764 9.340 298 2HD1 LEU 39 2HD1 LEU 39 -6.325 9.694 7.568 299 3HD1 LEU 39 3HD1 LEU 39 -6.140 8.210 8.505 300 1HD2 LEU 39 1HD2 LEU 39 -4.608 11.409 7.505 301 2HD2 LEU 39 2HD2 LEU 39 -4.428 11.495 9.267 302 3HD2 LEU 39 3HD2 LEU 39 -3.017 11.147 8.240 303 H ALA 40 H ALA 40 -4.126 7.047 11.730 304 HA ALA 40 HA ALA 40 -2.049 7.514 13.523 305 1HB ALA 40 1HB ALA 40 -4.447 5.655 13.854 306 2HB ALA 40 2HB ALA 40 -3.450 6.317 15.167 307 3HB ALA 40 3HB ALA 40 -4.422 7.407 14.160 308 H THR 41 H THR 41 -3.122 4.352 12.160 309 HA THR 41 HA THR 41 -1.058 2.845 13.446 310 HB THR 41 HB THR 41 -2.537 1.989 10.987 311 HG1 THR 41 1HG THR 41 -3.761 2.335 13.511 312 1HG2 THR 41 1HG2 THR 41 -1.970 0.672 13.699 313 2HG2 THR 41 2HG2 THR 41 -2.831 -0.109 12.366 314 3HG2 THR 41 3HG2 THR 41 -1.124 0.334 12.176 315 H ASN 42 H ASN 42 -1.128 4.898 10.643 316 HA ASN 42 HA ASN 42 0.110 5.184 8.829 317 1HB ASN 42 2HB ASN 42 2.703 4.193 9.677 318 2HB ASN 42 3HB ASN 42 2.135 5.826 9.380 319 1HD2 ASN 42 1HD2 ASN 42 0.590 6.629 11.284 320 2HD2 ASN 42 2HD2 ASN 42 0.997 6.119 12.894 321 H LYS 43 H LYS 43 -1.365 3.414 8.016 322 HA LYS 43 HA LYS 43 0.202 1.026 7.189 323 1HB LYS 43 2HB LYS 43 -1.158 -0.519 8.107 324 2HB LYS 43 3HB LYS 43 -1.269 0.724 9.337 325 1HG LYS 43 2HG LYS 43 -3.386 1.530 8.068 326 2HG LYS 43 3HG LYS 43 -3.265 0.027 7.125 327 1HD LYS 43 2HD LYS 43 -3.330 -1.311 9.225 328 2HD LYS 43 3HD LYS 43 -3.412 0.193 10.149 329 1HE LYS 43 2HE LYS 43 -5.531 -0.728 10.094 330 2HE LYS 43 3HE LYS 43 -5.576 0.776 9.174 331 1HZ LYS 43 1HZ LYS 43 -6.805 -0.915 8.035 332 2HZ LYS 43 2HZ LYS 43 -5.454 -0.621 7.145 333 3HZ LYS 43 3HZ LYS 43 -5.571 -1.970 8.077 334 H ALA 44 H ALA 44 -0.693 -0.234 5.569 335 HA ALA 44 HA ALA 44 -2.863 0.915 3.955 336 1HB ALA 44 1HB ALA 44 -1.734 0.745 1.898 337 2HB ALA 44 2HB ALA 44 -0.722 1.736 2.977 338 3HB ALA 44 3HB ALA 44 -0.285 0.043 2.647 339 H HIS 45 H HIS 45 -4.279 -0.534 4.005 340 HA HIS 45 HA HIS 45 -3.847 -3.461 4.101 341 1HB HIS 45 2HB HIS 45 -5.575 -2.171 5.466 342 2HB HIS 45 3HB HIS 45 -6.401 -1.836 3.945 343 HD1 HIS 45 1HD HIS 45 -6.315 -4.358 6.625 344 HD2 HIS 45 2HD HIS 45 -6.699 -4.281 2.460 345 HE1 HIS 45 1HE HIS 45 -7.380 -6.601 5.965 346 H ILE 46 H ILE 46 -2.780 -3.867 2.237 347 HA ILE 46 HA ILE 46 -4.028 -3.128 -0.337 348 HB ILE 46 HB ILE 46 -1.615 -4.902 0.051 349 1HG1 ILE 46 2HG1 ILE 46 -0.914 -2.995 1.323 350 2HG1 ILE 46 3HG1 ILE 46 -0.096 -3.014 -0.226 351 1HG2 ILE 46 1HG2 ILE 46 -2.702 -4.756 -2.173 352 2HG2 ILE 46 2HG2 ILE 46 -2.410 -3.019 -2.208 353 3HG2 ILE 46 3HG2 ILE 46 -1.040 -4.153 -2.169 354 1HD1 ILE 46 1HD1 ILE 46 -0.749 -0.773 0.358 355 2HD1 ILE 46 2HD1 ILE 46 -1.720 -1.265 -1.037 356 3HD1 ILE 46 3HD1 ILE 46 -2.445 -1.256 0.587 357 H LYS 47 H LYS 47 -5.236 -4.634 -1.424 358 HA LYS 47 HA LYS 47 -4.972 -7.535 -0.724 359 1HB LYS 47 2HB LYS 47 -7.402 -6.012 -1.690 360 2HB LYS 47 3HB LYS 47 -7.308 -7.766 -1.597 361 1HG LYS 47 2HG LYS 47 -6.908 -5.995 0.847 362 2HG LYS 47 3HG LYS 47 -8.526 -6.435 0.314 363 1HD LYS 47 2HD LYS 47 -6.403 -8.534 0.832 364 2HD LYS 47 3HD LYS 47 -7.404 -7.875 2.142 365 1HE LYS 47 2HE LYS 47 -9.461 -8.660 1.045 366 2HE LYS 47 3HE LYS 47 -8.538 -9.176 -0.374 367 1HZ LYS 47 1HZ LYS 47 -7.336 -10.703 1.041 368 2HZ LYS 47 2HZ LYS 47 -8.437 -10.457 2.276 369 3HZ LYS 47 3HZ LYS 47 -8.826 -11.089 0.766 370 H TYR 48 H TYR 48 -3.872 -8.454 -2.432 371 HA TYR 48 HA TYR 48 -4.569 -7.619 -5.170 372 1HB TYR 48 2HB TYR 48 -2.317 -7.343 -5.880 373 2HB TYR 48 3HB TYR 48 -2.566 -6.240 -4.532 374 HD1 TYR 48 HD1 TYR 48 -0.830 -9.310 -5.689 375 HD2 TYR 48 HD2 TYR 48 -1.392 -6.601 -2.384 376 HE1 TYR 48 HE1 TYR 48 1.139 -10.272 -4.559 377 HE2 TYR 48 HE2 TYR 48 0.635 -7.516 -1.309 378 HH TYR 48 HH TYR 48 2.202 -10.479 -2.525 379 H ASP 49 H ASP 49 -3.923 -9.340 -6.725 380 HA ASP 49 HA ASP 49 -3.967 -11.964 -5.350 381 1HB ASP 49 2HB ASP 49 -5.615 -11.589 -7.070 382 2HB ASP 49 3HB ASP 49 -4.345 -11.355 -8.273 383 HA PRO 50 HA PRO 50 0.520 -11.859 -6.013 384 1HB PRO 50 2HB PRO 50 1.256 -14.058 -4.602 385 2HB PRO 50 3HB PRO 50 0.610 -12.599 -3.800 386 1HG PRO 50 2HG PRO 50 -0.950 -15.074 -4.600 387 2HG PRO 50 3HG PRO 50 -0.892 -14.300 -2.985 388 1HD PRO 50 2HD PRO 50 -2.874 -13.765 -4.735 389 2HD PRO 50 3HD PRO 50 -2.174 -12.452 -3.739 390 H GLU 51 H GLU 51 -0.345 -12.196 -8.246 391 HA GLU 51 HA GLU 51 0.960 -14.434 -9.570 392 1HB GLU 51 2HB GLU 51 -1.188 -15.421 -8.992 393 2HB GLU 51 3HB GLU 51 -2.084 -14.003 -9.552 394 1HG GLU 51 2HG GLU 51 -1.450 -14.411 -11.841 395 2HG GLU 51 3HG GLU 51 -0.284 -15.648 -11.339 396 H ILE 52 H ILE 52 -1.444 -11.811 -9.871 397 HA ILE 52 HA ILE 52 -0.289 -10.936 -12.437 398 HB ILE 52 HB ILE 52 -2.220 -9.436 -12.518 399 1HG1 ILE 52 2HG1 ILE 52 -3.090 -10.759 -9.915 400 2HG1 ILE 52 3HG1 ILE 52 -2.481 -9.112 -10.036 401 1HG2 ILE 52 1HG2 ILE 52 -3.858 -11.176 -12.943 402 2HG2 ILE 52 2HG2 ILE 52 -2.264 -11.792 -13.385 403 3HG2 ILE 52 3HG2 ILE 52 -3.018 -12.307 -11.862 404 1HD1 ILE 52 1HD1 ILE 52 -4.404 -8.631 -11.645 405 2HD1 ILE 52 2HD1 ILE 52 -5.050 -10.233 -11.230 406 3HD1 ILE 52 3HD1 ILE 52 -4.877 -9.001 -9.974 407 H ILE 53 H ILE 53 0.315 -10.131 -9.128 408 HA ILE 53 HA ILE 53 2.159 -8.179 -9.970 409 HB ILE 53 HB ILE 53 -0.108 -6.889 -9.701 410 1HG1 ILE 53 2HG1 ILE 53 2.171 -5.958 -7.975 411 2HG1 ILE 53 3HG1 ILE 53 2.214 -5.894 -9.748 412 1HG2 ILE 53 1HG2 ILE 53 0.529 -7.187 -6.743 413 2HG2 ILE 53 2HG2 ILE 53 -0.812 -6.304 -7.482 414 3HG2 ILE 53 3HG2 ILE 53 -0.773 -8.065 -7.602 415 1HD1 ILE 53 1HD1 ILE 53 0.174 -4.464 -9.741 416 2HD1 ILE 53 2HD1 ILE 53 0.256 -4.394 -7.963 417 3HD1 ILE 53 3HD1 ILE 53 1.566 -3.718 -8.940 418 H GLY 54 H GLY 54 3.615 -7.772 -8.031 419 1HA GLY 54 2HA GLY 54 3.442 -9.985 -6.017 420 2HA GLY 54 1HA GLY 54 4.899 -9.131 -6.564 421 HA PRO 55 HA PRO 55 3.208 -6.773 -2.846 422 1HB PRO 55 2HB PRO 55 5.307 -7.208 -1.132 423 2HB PRO 55 3HB PRO 55 3.892 -8.280 -1.221 424 1HG PRO 55 2HG PRO 55 6.599 -8.675 -2.504 425 2HG PRO 55 3HG PRO 55 5.602 -9.873 -1.638 426 1HD PRO 55 2HD PRO 55 5.668 -9.679 -4.382 427 2HD PRO 55 3HD PRO 55 4.205 -10.197 -3.507 428 H ARG 56 H ARG 56 6.416 -7.352 -4.262 429 HA ARG 56 HA ARG 56 7.672 -5.023 -3.439 430 1HB ARG 56 2HB ARG 56 8.721 -7.079 -4.460 431 2HB ARG 56 3HB ARG 56 8.334 -6.429 -6.059 432 1HG ARG 56 2HG ARG 56 9.861 -4.802 -3.975 433 2HG ARG 56 3HG ARG 56 10.688 -6.020 -4.930 434 1HD ARG 56 2HD ARG 56 10.415 -4.921 -6.957 435 2HD ARG 56 3HD ARG 56 9.143 -3.862 -6.417 436 HE ARG 56 HE ARG 56 11.958 -3.404 -6.244 437 1HH1 ARG 56 2HH2 ARG 56 8.885 -2.642 -4.552 438 2HH1 ARG 56 1HH2 ARG 56 9.646 -1.303 -3.683 439 1HH2 ARG 56 2HH1 ARG 56 12.702 -1.363 -5.327 440 2HH2 ARG 56 1HH1 ARG 56 11.599 -0.418 -4.368 441 H ASP 57 H ASP 57 5.612 -5.505 -6.357 442 HA ASP 57 HA ASP 57 6.240 -3.077 -7.605 443 1HB ASP 57 2HB ASP 57 3.508 -4.341 -7.641 444 2HB ASP 57 3HB ASP 57 4.322 -3.476 -8.942 445 H ILE 58 H ILE 58 3.602 -3.891 -5.284 446 HA ILE 58 HA ILE 58 2.454 -1.248 -5.266 447 HB ILE 58 HB ILE 58 2.327 -3.434 -3.127 448 1HG1 ILE 58 2HG1 ILE 58 -0.142 -3.349 -4.084 449 2HG1 ILE 58 3HG1 ILE 58 0.615 -2.676 -5.526 450 1HG2 ILE 58 1HG2 ILE 58 0.359 -2.094 -2.320 451 2HG2 ILE 58 2HG2 ILE 58 1.887 -1.253 -2.111 452 3HG2 ILE 58 3HG2 ILE 58 0.817 -0.821 -3.465 453 1HD1 ILE 58 1HD1 ILE 58 1.876 -4.725 -5.841 454 2HD1 ILE 58 2HD1 ILE 58 1.433 -5.310 -4.212 455 3HD1 ILE 58 3HD1 ILE 58 0.213 -5.188 -5.482 456 H ILE 59 H ILE 59 4.830 -2.928 -3.177 457 HA ILE 59 HA ILE 59 5.413 -0.731 -1.486 458 HB ILE 59 HB ILE 59 6.974 -3.133 -2.404 459 1HG1 ILE 59 2HG1 ILE 59 5.852 -2.470 0.348 460 2HG1 ILE 59 3HG1 ILE 59 4.850 -3.229 -0.896 461 1HG2 ILE 59 1HG2 ILE 59 7.824 -0.957 -0.480 462 2HG2 ILE 59 2HG2 ILE 59 8.514 -2.600 -0.439 463 3HG2 ILE 59 3HG2 ILE 59 8.664 -1.626 -1.892 464 1HD1 ILE 59 1HD1 ILE 59 6.485 -5.062 -1.125 465 2HD1 ILE 59 2HD1 ILE 59 7.399 -4.412 0.256 466 3HD1 ILE 59 3HD1 ILE 59 5.731 -4.972 0.480 467 H HIS 60 H HIS 60 6.776 -1.491 -4.730 468 HA HIS 60 HA HIS 60 8.566 0.764 -4.718 469 1HB HIS 60 2HB HIS 60 9.410 -0.369 -6.403 470 2HB HIS 60 3HB HIS 60 7.979 -1.392 -6.556 471 HD1 HIS 60 1HD HIS 60 9.380 1.921 -7.938 472 HD2 HIS 60 2HD HIS 60 6.264 -0.841 -8.404 473 HE1 HIS 60 1HE HIS 60 8.150 2.589 -10.079 474 H THR 61 H THR 61 5.149 0.384 -5.534 475 HA THR 61 HA THR 61 4.915 2.948 -6.836 476 HB THR 61 HB THR 61 2.753 1.454 -5.293 477 HG1 THR 61 1HG THR 61 3.841 0.187 -6.956 478 1HG2 THR 61 1HG2 THR 61 1.261 2.572 -6.877 479 2HG2 THR 61 2HG2 THR 61 2.159 3.769 -5.926 480 3HG2 THR 61 3HG2 THR 61 2.635 3.428 -7.607 481 H ILE 62 H ILE 62 4.488 1.800 -3.481 482 HA ILE 62 HA ILE 62 3.956 4.282 -2.222 483 HB ILE 62 HB ILE 62 5.100 1.639 -1.304 484 1HG1 ILE 62 2HG1 ILE 62 2.472 2.980 -0.617 485 2HG1 ILE 62 3HG1 ILE 62 2.660 1.968 -2.055 486 1HG2 ILE 62 1HG2 ILE 62 4.888 2.318 1.013 487 2HG2 ILE 62 2HG2 ILE 62 5.972 3.460 0.234 488 3HG2 ILE 62 3HG2 ILE 62 4.264 3.891 0.542 489 1HD1 ILE 62 1HD1 ILE 62 3.083 1.025 0.803 490 2HD1 ILE 62 2HD1 ILE 62 1.720 0.650 -0.259 491 3HD1 ILE 62 3HD1 ILE 62 3.342 0.051 -0.655 492 H GLU 63 H GLU 63 7.147 2.687 -2.862 493 HA GLU 63 HA GLU 63 8.823 4.778 -1.919 494 1HB GLU 63 2HB GLU 63 9.200 2.931 -4.310 495 2HB GLU 63 3HB GLU 63 10.453 3.952 -3.634 496 1HG GLU 63 2HG GLU 63 10.644 2.692 -1.667 497 2HG GLU 63 3HG GLU 63 9.058 1.947 -1.852 498 H SER 64 H SER 64 7.471 4.257 -5.155 499 HA SER 64 HA SER 64 8.675 6.370 -6.494 500 1HB SER 64 2HB SER 64 7.547 4.406 -7.526 501 2HB SER 64 3HB SER 64 5.971 5.122 -7.122 502 HG SER 64 HG SER 64 6.682 5.572 -9.273 503 H LEU 65 H LEU 65 5.552 6.388 -4.703 504 HA LEU 65 HA LEU 65 4.997 9.164 -5.349 505 1HB LEU 65 2HB LEU 65 4.021 7.242 -3.225 506 2HB LEU 65 3HB LEU 65 3.684 8.971 -3.092 507 HG LEU 65 HG LEU 65 1.830 7.740 -4.042 508 1HD1 LEU 65 1HD1 LEU 65 2.186 10.159 -4.525 509 2HD1 LEU 65 2HD1 LEU 65 2.982 9.714 -6.052 510 3HD1 LEU 65 3HD1 LEU 65 1.283 9.304 -5.788 511 1HD2 LEU 65 1HD2 LEU 65 3.614 7.226 -6.455 512 2HD2 LEU 65 2HD2 LEU 65 2.923 6.022 -5.338 513 3HD2 LEU 65 3HD2 LEU 65 1.865 6.974 -6.381 514 H GLY 66 H GLY 66 5.575 8.326 -1.915 515 1HA GLY 66 2HA GLY 66 8.183 9.564 -1.923 516 2HA GLY 66 1HA GLY 66 6.955 10.651 -1.247 517 H PHE 67 H PHE 67 6.940 7.027 -0.908 518 HA PHE 67 HA PHE 67 6.941 7.557 2.055 519 1HB PHE 67 2HB PHE 67 5.126 5.810 0.429 520 2HB PHE 67 3HB PHE 67 4.975 6.142 2.161 521 HD1 PHE 67 1HD PHE 67 5.186 9.043 2.366 522 HD2 PHE 67 2HD PHE 67 3.329 6.709 -0.756 523 HE1 PHE 67 1HE PHE 67 3.865 11.005 1.688 524 HE2 PHE 67 2HE PHE 67 1.953 8.676 -1.386 525 HZ PHE 67 HZ PHE 67 2.256 10.839 -0.201 526 H GLU 68 H GLU 68 7.125 5.664 3.360 527 HA GLU 68 HA GLU 68 9.109 3.688 2.311 528 1HB GLU 68 2HB GLU 68 8.386 4.477 5.141 529 2HB GLU 68 3HB GLU 68 9.766 3.485 4.669 530 1HG GLU 68 2HG GLU 68 10.888 5.430 3.723 531 2HG GLU 68 3HG GLU 68 9.447 6.443 3.921 532 H ALA 69 H ALA 69 8.697 1.431 3.022 533 HA ALA 69 HA ALA 69 5.962 0.896 4.059 534 1HB ALA 69 1HB ALA 69 7.361 -0.660 1.844 535 2HB ALA 69 2HB ALA 69 5.764 -1.011 2.538 536 3HB ALA 69 3HB ALA 69 6.010 0.460 1.582 537 H SER 70 H SER 70 5.798 -0.931 5.378 538 HA SER 70 HA SER 70 8.123 -2.688 5.776 539 1HB SER 70 2HB SER 70 6.971 -1.089 8.113 540 2HB SER 70 3HB SER 70 8.230 -2.325 8.188 541 HG SER 70 HG SER 70 9.074 -0.649 6.372 542 H LEU 71 H LEU 71 7.015 -4.550 5.269 543 HA LEU 71 HA LEU 71 4.270 -5.002 5.926 544 1HB LEU 71 2HB LEU 71 4.575 -7.231 5.276 545 2HB LEU 71 3HB LEU 71 5.483 -6.221 4.156 546 HG LEU 71 HG LEU 71 6.650 -7.924 6.414 547 1HD1 LEU 71 1HD1 LEU 71 7.485 -9.328 4.595 548 2HD1 LEU 71 2HD1 LEU 71 5.720 -9.183 4.485 549 3HD1 LEU 71 3HD1 LEU 71 6.756 -8.246 3.389 550 1HD2 LEU 71 1HD2 LEU 71 8.179 -6.061 6.099 551 2HD2 LEU 71 2HD2 LEU 71 8.850 -7.472 5.293 552 3HD2 LEU 71 3HD2 LEU 71 8.066 -6.212 4.324 553 H VAL 72 H VAL 72 3.273 -5.676 7.772 554 HA VAL 72 HA VAL 72 4.837 -5.437 10.182 555 HB VAL 72 HB VAL 72 1.882 -6.101 9.912 556 1HG1 VAL 72 1HG1 VAL 72 3.515 -4.797 12.150 557 2HG1 VAL 72 2HG1 VAL 72 1.757 -5.029 12.148 558 3HG1 VAL 72 3HG1 VAL 72 2.828 -6.430 12.215 559 1HG2 VAL 72 1HG2 VAL 72 2.314 -4.026 8.686 560 2HG2 VAL 72 2HG2 VAL 72 1.565 -3.640 10.232 561 3HG2 VAL 72 3HG2 VAL 72 3.316 -3.413 10.018 562 H LYS 73 H LYS 73 6.151 -7.304 9.413 563 HA LYS 73 HA LYS 73 5.272 -9.821 10.806 564 1HB LYS 73 2HB LYS 73 7.240 -9.302 8.556 565 2HB LYS 73 3HB LYS 73 7.521 -10.615 9.701 566 1HG LYS 73 2HG LYS 73 6.413 -11.428 7.718 567 2HG LYS 73 3HG LYS 73 5.441 -11.690 9.175 568 1HD LYS 73 2HD LYS 73 3.993 -9.801 8.632 569 2HD LYS 73 3HD LYS 73 4.955 -9.392 7.211 570 1HE LYS 73 2HE LYS 73 3.342 -11.958 7.689 571 2HE LYS 73 3HE LYS 73 2.823 -10.586 6.704 572 1HZ LYS 73 1HZ LYS 73 5.137 -12.315 6.135 573 2HZ LYS 73 2HZ LYS 73 3.698 -12.316 5.345 574 3HZ LYS 73 3HZ LYS 73 4.685 -11.008 5.239 575 H ILE 74 H ILE 74 7.967 -7.463 10.297 576 HA ILE 74 HA ILE 74 8.473 -7.480 13.201 577 HB ILE 74 HB ILE 74 10.585 -7.645 11.003 578 1HG1 ILE 74 2HG1 ILE 74 9.905 -9.680 13.181 579 2HG1 ILE 74 3HG1 ILE 74 9.523 -9.854 11.461 580 1HG2 ILE 74 1HG2 ILE 74 12.212 -7.612 12.872 581 2HG2 ILE 74 2HG2 ILE 74 11.232 -6.159 12.874 582 3HG2 ILE 74 3HG2 ILE 74 10.873 -7.454 14.033 583 1HD1 ILE 74 1HD1 ILE 74 11.945 -9.706 10.909 584 2HD1 ILE 74 2HD1 ILE 74 12.302 -9.816 12.653 585 3HD1 ILE 74 3HD1 ILE 74 11.459 -11.139 11.838 586 H GLU 75 H GLU 75 8.692 -5.407 13.922 587 HA GLU 75 HA GLU 75 10.066 -3.487 12.377 588 1HB GLU 75 2HB GLU 75 7.387 -2.775 13.696 589 2HB GLU 75 3HB GLU 75 8.689 -1.626 13.373 590 1HG GLU 75 2HG GLU 75 8.547 -2.270 10.916 591 2HG GLU 75 3HG GLU 75 7.039 -3.118 11.307 Start of MODEL 11 1 1H MET 1 H1 MET 1 -5.401 -23.077 -2.075 2 2H MET 1 H2 MET 1 -6.431 -23.245 -3.377 3 3H MET 1 H3 MET 1 -4.898 -22.589 -3.542 4 HA MET 1 HA MET 1 -6.793 -20.976 -3.543 5 1HB MET 1 2HB MET 1 -6.320 -21.505 -0.564 6 2HB MET 1 3HB MET 1 -7.216 -20.133 -1.227 7 1HG MET 1 2HG MET 1 -8.891 -21.649 -2.196 8 2HG MET 1 3HG MET 1 -8.026 -23.050 -1.535 9 1HE MET 1 1HE MET 1 -11.256 -22.944 0.641 10 2HE MET 1 2HE MET 1 -11.121 -22.533 -1.085 11 3HE MET 1 3HE MET 1 -10.234 -23.935 -0.426 12 H GLY 2 H GLY 2 -5.959 -18.691 -2.382 13 1HA GLY 2 2HA GLY 2 -3.306 -18.394 -1.604 14 2HA GLY 2 1HA GLY 2 -3.356 -18.244 -3.382 15 H ASP 3 H ASP 3 -2.715 -15.985 -1.868 16 HA ASP 3 HA ASP 3 -4.676 -14.067 -2.642 17 1HB ASP 3 2HB ASP 3 -5.284 -13.239 -0.452 18 2HB ASP 3 3HB ASP 3 -5.690 -14.953 -0.451 19 H GLY 4 H GLY 4 -3.847 -11.896 -1.638 20 1HA GLY 4 2HA GLY 4 -1.052 -11.937 -0.699 21 2HA GLY 4 1HA GLY 4 -1.412 -10.905 -2.094 22 H VAL 5 H VAL 5 -2.863 -11.792 1.096 23 HA VAL 5 HA VAL 5 -3.794 -9.048 1.608 24 HB VAL 5 HB VAL 5 -3.623 -11.538 3.355 25 1HG1 VAL 5 1HG1 VAL 5 -5.182 -10.274 4.863 26 2HG1 VAL 5 2HG1 VAL 5 -3.568 -9.561 4.803 27 3HG1 VAL 5 3HG1 VAL 5 -4.892 -8.821 3.884 28 1HG2 VAL 5 1HG2 VAL 5 -5.258 -11.719 1.487 29 2HG2 VAL 5 2HG2 VAL 5 -6.083 -11.581 3.044 30 3HG2 VAL 5 3HG2 VAL 5 -5.969 -10.172 1.968 31 H LEU 6 H LEU 6 -2.528 -7.444 2.436 32 HA LEU 6 HA LEU 6 -0.282 -8.076 4.190 33 1HB LEU 6 2HB LEU 6 0.685 -8.432 1.968 34 2HB LEU 6 3HB LEU 6 0.123 -6.836 1.449 35 HG LEU 6 HG LEU 6 1.661 -5.732 2.984 36 1HD1 LEU 6 1HD1 LEU 6 1.707 -7.259 4.892 37 2HD1 LEU 6 2HD1 LEU 6 2.435 -8.538 3.891 38 3HD1 LEU 6 3HD1 LEU 6 3.346 -7.061 4.273 39 1HD2 LEU 6 1HD2 LEU 6 2.485 -6.393 0.761 40 2HD2 LEU 6 2HD2 LEU 6 3.787 -6.451 1.964 41 3HD2 LEU 6 3HD2 LEU 6 3.025 -7.956 1.414 42 H GLU 7 H GLU 7 -1.369 -6.794 5.773 43 HA GLU 7 HA GLU 7 -1.126 -3.878 5.413 44 1HB GLU 7 2HB GLU 7 -1.170 -3.901 7.918 45 2HB GLU 7 3HB GLU 7 -2.647 -4.316 7.050 46 1HG GLU 7 2HG GLU 7 -0.825 -6.516 7.948 47 2HG GLU 7 3HG GLU 7 -1.961 -5.702 9.067 48 H LEU 8 H LEU 8 0.691 -3.581 4.431 49 HA LEU 8 HA LEU 8 3.191 -3.962 5.985 50 1HB LEU 8 2HB LEU 8 4.253 -2.735 4.092 51 2HB LEU 8 3HB LEU 8 3.572 -4.327 3.747 52 HG LEU 8 HG LEU 8 1.644 -3.345 2.592 53 1HD1 LEU 8 1HD1 LEU 8 1.443 -1.157 3.567 54 2HD1 LEU 8 2HD1 LEU 8 3.132 -0.756 3.152 55 3HD1 LEU 8 3HD1 LEU 8 1.901 -0.924 1.879 56 1HD2 LEU 8 1HD2 LEU 8 4.373 -2.415 1.616 57 2HD2 LEU 8 2HD2 LEU 8 3.701 -4.044 1.392 58 3HD2 LEU 8 3HD2 LEU 8 2.927 -2.657 0.615 59 H VAL 9 H VAL 9 4.361 -2.057 6.689 60 HA VAL 9 HA VAL 9 2.630 0.115 7.621 61 HB VAL 9 HB VAL 9 5.262 -0.980 8.380 62 1HG1 VAL 9 1HG1 VAL 9 4.873 2.042 8.436 63 2HG1 VAL 9 2HG1 VAL 9 6.121 1.137 9.306 64 3HG1 VAL 9 3HG1 VAL 9 6.128 1.140 7.540 65 1HG2 VAL 9 1HG2 VAL 9 4.557 -0.326 10.577 66 2HG2 VAL 9 2HG2 VAL 9 3.357 0.812 9.959 67 3HG2 VAL 9 3HG2 VAL 9 3.101 -0.931 9.764 68 H VAL 10 H VAL 10 2.855 2.232 6.689 69 HA VAL 10 HA VAL 10 4.626 2.632 4.383 70 HB VAL 10 HB VAL 10 1.683 3.391 4.686 71 1HG1 VAL 10 1HG1 VAL 10 2.998 5.189 3.659 72 2HG1 VAL 10 2HG1 VAL 10 3.721 4.034 2.522 73 3HG1 VAL 10 3HG1 VAL 10 1.981 4.404 2.436 74 1HG2 VAL 10 1HG2 VAL 10 1.404 2.091 2.574 75 2HG2 VAL 10 2HG2 VAL 10 3.075 1.521 2.757 76 3HG2 VAL 10 3HG2 VAL 10 1.844 1.111 3.982 77 H ARG 11 H ARG 11 5.781 4.574 4.807 78 HA ARG 11 HA ARG 11 4.739 6.308 7.033 79 1HB ARG 11 2HB ARG 11 7.664 5.687 6.597 80 2HB ARG 11 3HB ARG 11 6.944 6.753 7.795 81 1HG ARG 11 2HG ARG 11 5.772 4.794 8.816 82 2HG ARG 11 3HG ARG 11 6.549 3.735 7.626 83 1HD ARG 11 2HD ARG 11 7.745 3.662 9.757 84 2HD ARG 11 3HD ARG 11 8.767 4.289 8.477 85 HE ARG 11 HE ARG 11 7.472 5.798 10.725 86 1HH1 ARG 11 2HH2 ARG 11 9.960 5.809 8.144 87 2HH1 ARG 11 1HH2 ARG 11 10.166 7.443 8.149 88 1HH2 ARG 11 2HH1 ARG 11 8.157 7.982 11.113 89 2HH2 ARG 11 1HH1 ARG 11 9.490 8.626 10.199 90 H GLY 12 H GLY 12 5.530 8.483 6.980 91 1HA GLY 12 2HA GLY 12 6.138 10.445 5.869 92 2HA GLY 12 1HA GLY 12 6.240 9.593 4.324 93 H MET 13 H MET 13 3.386 8.663 6.006 94 HA MET 13 HA MET 13 1.680 9.920 4.090 95 1HB MET 13 2HB MET 13 1.040 8.423 6.670 96 2HB MET 13 3HB MET 13 -0.057 8.752 5.309 97 1HG MET 13 2HG MET 13 1.283 7.301 3.870 98 2HG MET 13 3HG MET 13 2.471 7.047 5.136 99 1HE MET 13 1HE MET 13 -1.792 5.357 5.269 100 2HE MET 13 2HE MET 13 -1.459 7.061 5.657 101 3HE MET 13 3HE MET 13 -1.163 6.448 4.008 102 H THR 14 H THR 14 2.657 12.156 4.872 103 HA THR 14 HA THR 14 2.135 12.907 7.532 104 HB THR 14 HB THR 14 3.980 13.810 6.226 105 HG1 THR 14 1HG THR 14 2.148 15.504 7.511 106 1HG2 THR 14 1HG2 THR 14 1.871 15.488 4.789 107 2HG2 THR 14 2HG2 THR 14 3.624 15.759 4.745 108 3HG2 THR 14 3HG2 THR 14 2.952 14.272 4.068 109 H CYS 15 H CYS 15 -0.215 13.050 4.940 110 HA CYS 15 HA CYS 15 -2.104 14.165 6.810 111 1HB CYS 15 2HB CYS 15 -2.680 16.187 5.609 112 2HB CYS 15 3HB CYS 15 -0.963 16.242 5.965 113 H ALA 16 H ALA 16 -4.243 14.553 5.598 114 HA ALA 16 HA ALA 16 -5.252 12.240 4.475 115 1HB ALA 16 1HB ALA 16 -6.638 14.056 5.364 116 2HB ALA 16 2HB ALA 16 -6.177 15.101 3.999 117 3HB ALA 16 3HB ALA 16 -7.137 13.635 3.714 118 H SER 17 H SER 17 -3.729 15.002 2.831 119 HA SER 17 HA SER 17 -4.386 14.307 0.169 120 1HB SER 17 2HB SER 17 -3.403 16.524 1.004 121 2HB SER 17 3HB SER 17 -1.820 15.719 0.930 122 HG SER 17 HG SER 17 -2.567 15.132 -1.309 123 H CYS 18 H CYS 18 -1.852 13.076 2.374 124 HA CYS 18 HA CYS 18 -0.473 11.570 0.271 125 1HB CYS 18 2HB CYS 18 -0.390 11.261 3.296 126 2HB CYS 18 3HB CYS 18 0.661 10.503 2.109 127 H VAL 19 H VAL 19 -2.688 10.935 2.985 128 HA VAL 19 HA VAL 19 -2.951 8.186 2.788 129 HB VAL 19 HB VAL 19 -5.080 10.229 3.527 130 1HG1 VAL 19 1HG1 VAL 19 -6.156 8.042 3.152 131 2HG1 VAL 19 2HG1 VAL 19 -4.957 7.291 4.243 132 3HG1 VAL 19 3HG1 VAL 19 -6.128 8.466 4.865 133 1HG2 VAL 19 1HG2 VAL 19 -2.929 10.284 4.897 134 2HG2 VAL 19 2HG2 VAL 19 -4.371 9.854 5.819 135 3HG2 VAL 19 3HG2 VAL 19 -3.226 8.595 5.315 136 H HIS 20 H HIS 20 -5.224 10.524 1.189 137 HA HIS 20 HA HIS 20 -6.506 8.318 -0.160 138 1HB HIS 20 2HB HIS 20 -8.010 9.753 -1.048 139 2HB HIS 20 3HB HIS 20 -7.591 10.522 0.480 140 HD1 HIS 20 1HD HIS 20 -8.698 11.806 -2.452 141 HD2 HIS 20 2HD HIS 20 -4.967 12.136 -0.561 142 HE1 HIS 20 1HE HIS 20 -7.616 13.943 -3.338 143 H LYS 21 H LYS 21 -3.794 10.393 -1.034 144 HA LYS 21 HA LYS 21 -3.777 9.883 -3.856 145 1HB LYS 21 2HB LYS 21 -2.535 11.703 -2.941 146 2HB LYS 21 3HB LYS 21 -1.631 10.641 -1.853 147 1HG LYS 21 2HG LYS 21 -0.485 9.616 -3.783 148 2HG LYS 21 3HG LYS 21 -1.369 10.701 -4.880 149 1HD LYS 21 2HD LYS 21 -0.390 12.669 -3.763 150 2HD LYS 21 3HD LYS 21 0.373 11.633 -2.545 151 1HE LYS 21 2HE LYS 21 1.733 10.543 -4.342 152 2HE LYS 21 3HE LYS 21 1.038 11.654 -5.532 153 1HZ LYS 21 1HZ LYS 21 3.207 12.341 -4.727 154 2HZ LYS 21 2HZ LYS 21 2.068 13.459 -4.322 155 3HZ LYS 21 3HZ LYS 21 2.662 12.426 -3.185 156 H ILE 22 H ILE 22 -2.118 8.319 -1.064 157 HA ILE 22 HA ILE 22 -0.802 6.259 -2.470 158 HB ILE 22 HB ILE 22 -1.985 6.360 0.331 159 1HG1 ILE 22 2HG1 ILE 22 0.916 6.412 -0.524 160 2HG1 ILE 22 3HG1 ILE 22 -0.050 7.892 -0.503 161 1HG2 ILE 22 1HG2 ILE 22 -0.469 4.409 0.833 162 2HG2 ILE 22 2HG2 ILE 22 -1.787 3.987 -0.248 163 3HG2 ILE 22 3HG2 ILE 22 -0.157 4.247 -0.905 164 1HD1 ILE 22 1HD1 ILE 22 0.451 6.137 1.920 165 2HD1 ILE 22 2HD1 ILE 22 1.185 7.712 1.564 166 3HD1 ILE 22 3HD1 ILE 22 -0.556 7.602 1.877 167 H GLU 23 H GLU 23 -4.005 6.116 -0.858 168 HA GLU 23 HA GLU 23 -4.662 3.526 -1.688 169 1HB GLU 23 2HB GLU 23 -5.795 5.141 0.010 170 2HB GLU 23 3HB GLU 23 -6.763 5.705 -1.353 171 1HG GLU 23 2HG GLU 23 -6.516 2.833 -0.377 172 2HG GLU 23 3HG GLU 23 -7.858 3.924 -0.026 173 H SER 24 H SER 24 -5.689 6.604 -3.197 174 HA SER 24 HA SER 24 -7.012 5.636 -5.428 175 1HB SER 24 2HB SER 24 -6.999 7.966 -4.664 176 2HB SER 24 3HB SER 24 -5.313 8.147 -5.197 177 HG SER 24 HG SER 24 -6.886 8.905 -6.732 178 H SER 25 H SER 25 -3.475 6.053 -4.974 179 HA SER 25 HA SER 25 -2.883 5.793 -7.828 180 1HB SER 25 2HB SER 25 -1.125 5.651 -5.355 181 2HB SER 25 3HB SER 25 -0.543 5.691 -7.041 182 HG SER 25 HG SER 25 -2.086 7.666 -5.702 183 H LEU 26 H LEU 26 -2.760 3.763 -4.874 184 HA LEU 26 HA LEU 26 -1.648 1.491 -6.196 185 1HB LEU 26 2HB LEU 26 -3.186 1.934 -3.637 186 2HB LEU 26 3HB LEU 26 -2.705 0.331 -4.166 187 HG LEU 26 HG LEU 26 -0.706 2.566 -3.870 188 1HD1 LEU 26 1HD1 LEU 26 -1.848 2.194 -1.705 189 2HD1 LEU 26 2HD1 LEU 26 -1.502 0.458 -1.809 190 3HD1 LEU 26 3HD1 LEU 26 -0.170 1.624 -1.634 191 1HD2 LEU 26 1HD2 LEU 26 -0.390 -0.471 -3.889 192 2HD2 LEU 26 2HD2 LEU 26 0.102 0.621 -5.198 193 3HD2 LEU 26 3HD2 LEU 26 0.922 0.697 -3.637 194 H THR 27 H THR 27 -5.054 2.217 -5.218 195 HA THR 27 HA THR 27 -6.120 -0.166 -6.252 196 HB THR 27 HB THR 27 -7.114 1.513 -4.640 197 HG1 THR 27 1HG THR 27 -9.085 0.765 -5.035 198 1HG2 THR 27 1HG2 THR 27 -8.597 3.212 -5.467 199 2HG2 THR 27 2HG2 THR 27 -7.002 3.485 -6.182 200 3HG2 THR 27 3HG2 THR 27 -8.293 2.757 -7.161 201 H LYS 28 H LYS 28 -4.971 2.603 -8.003 202 HA LYS 28 HA LYS 28 -6.458 2.278 -10.387 203 1HB LYS 28 2HB LYS 28 -5.208 3.900 -11.213 204 2HB LYS 28 3HB LYS 28 -4.783 4.155 -9.545 205 1HG LYS 28 2HG LYS 28 -2.726 4.291 -10.418 206 2HG LYS 28 3HG LYS 28 -2.705 2.537 -10.273 207 1HD LYS 28 2HD LYS 28 -3.451 2.363 -12.664 208 2HD LYS 28 3HD LYS 28 -3.560 4.131 -12.746 209 1HE LYS 28 2HE LYS 28 -1.113 4.295 -12.240 210 2HE LYS 28 3HE LYS 28 -1.011 2.528 -12.253 211 1HZ LYS 28 1HZ LYS 28 -1.717 2.581 -14.559 212 2HZ LYS 28 2HZ LYS 28 -1.801 4.225 -14.531 213 3HZ LYS 28 3HZ LYS 28 -0.353 3.475 -14.348 214 H HIS 29 H HIS 29 -3.700 0.410 -9.127 215 HA HIS 29 HA HIS 29 -3.244 -0.833 -11.780 216 1HB HIS 29 2HB HIS 29 -2.071 -1.973 -9.287 217 2HB HIS 29 3HB HIS 29 -1.451 -1.943 -10.924 218 HD1 HIS 29 1HD HIS 29 -0.005 0.321 -11.548 219 HD2 HIS 29 2HD HIS 29 -1.325 -0.208 -7.619 220 HE1 HIS 29 1HE HIS 29 1.356 1.927 -10.061 221 H ARG 30 H ARG 30 -4.670 -2.379 -12.408 222 HA ARG 30 HA ARG 30 -6.778 -3.383 -10.996 223 1HB ARG 30 2HB ARG 30 -6.862 -5.231 -12.637 224 2HB ARG 30 3HB ARG 30 -6.678 -3.625 -13.363 225 1HG ARG 30 2HG ARG 30 -4.317 -4.024 -13.828 226 2HG ARG 30 3HG ARG 30 -4.329 -5.516 -12.887 227 1HD ARG 30 2HD ARG 30 -4.334 -6.005 -15.246 228 2HD ARG 30 3HD ARG 30 -5.790 -6.618 -14.501 229 HE ARG 30 HE ARG 30 -5.453 -4.351 -16.399 230 1HH1 ARG 30 2HH2 ARG 30 -7.754 -6.155 -14.407 231 2HH1 ARG 30 1HH2 ARG 30 -9.156 -5.653 -15.293 232 1HH2 ARG 30 2HH1 ARG 30 -7.296 -3.650 -17.578 233 2HH2 ARG 30 1HH1 ARG 30 -8.883 -4.174 -17.122 234 H GLY 31 H GLY 31 -3.484 -4.598 -10.714 235 1HA GLY 31 2HA GLY 31 -4.116 -7.154 -9.585 236 2HA GLY 31 1HA GLY 31 -2.578 -6.285 -9.452 237 H ILE 32 H ILE 32 -4.251 -3.907 -8.189 238 HA ILE 32 HA ILE 32 -4.118 -4.940 -5.439 239 HB ILE 32 HB ILE 32 -4.762 -2.096 -6.361 240 1HG1 ILE 32 2HG1 ILE 32 -2.565 -2.687 -7.271 241 2HG1 ILE 32 3HG1 ILE 32 -2.488 -1.478 -5.993 242 1HG2 ILE 32 1HG2 ILE 32 -3.864 -3.407 -3.784 243 2HG2 ILE 32 2HG2 ILE 32 -3.874 -1.652 -4.030 244 3HG2 ILE 32 3HG2 ILE 32 -5.400 -2.565 -4.081 245 1HD1 ILE 32 1HD1 ILE 32 -1.909 -4.406 -5.515 246 2HD1 ILE 32 2HD1 ILE 32 -0.711 -3.158 -5.895 247 3HD1 ILE 32 3HD1 ILE 32 -1.661 -3.043 -4.397 248 H LEU 33 H LEU 33 -5.902 -5.958 -4.710 249 HA LEU 33 HA LEU 33 -8.515 -5.525 -6.020 250 1HB LEU 33 2HB LEU 33 -7.383 -7.501 -4.020 251 2HB LEU 33 3HB LEU 33 -9.121 -7.284 -4.155 252 HG LEU 33 HG LEU 33 -8.185 -9.176 -5.443 253 1HD1 LEU 33 1HD1 LEU 33 -10.397 -8.184 -5.967 254 2HD1 LEU 33 2HD1 LEU 33 -9.632 -7.110 -7.159 255 3HD1 LEU 33 3HD1 LEU 33 -9.598 -8.864 -7.395 256 1HD2 LEU 33 1HD2 LEU 33 -7.065 -7.052 -7.331 257 2HD2 LEU 33 2HD2 LEU 33 -6.119 -8.158 -6.300 258 3HD2 LEU 33 3HD2 LEU 33 -7.125 -8.791 -7.614 259 H TYR 34 H TYR 34 -6.800 -4.733 -2.973 260 HA TYR 34 HA TYR 34 -8.849 -2.728 -2.471 261 1HB TYR 34 2HB TYR 34 -9.815 -4.815 -1.396 262 2HB TYR 34 3HB TYR 34 -8.321 -4.938 -0.449 263 HD1 TYR 34 HD1 TYR 34 -8.458 -4.226 1.758 264 HD2 TYR 34 HD2 TYR 34 -10.882 -2.284 -1.235 265 HE1 TYR 34 HE1 TYR 34 -9.442 -2.773 3.493 266 HE2 TYR 34 HE2 TYR 34 -11.694 -0.681 0.468 267 HH TYR 34 HH TYR 34 -11.585 -0.026 2.671 268 H CYS 35 H CYS 35 -8.166 -1.220 -0.798 269 HA CYS 35 HA CYS 35 -5.620 -1.710 0.516 270 1HB CYS 35 2HB CYS 35 -4.888 -0.574 -1.538 271 2HB CYS 35 3HB CYS 35 -6.045 0.737 -1.224 272 HG CYS 35 HG CYS 35 -3.746 1.613 -0.564 273 H SER 36 H SER 36 -5.699 -0.957 2.552 274 HA SER 36 HA SER 36 -7.720 1.095 3.302 275 1HB SER 36 2HB SER 36 -8.746 -0.710 4.246 276 2HB SER 36 3HB SER 36 -7.251 -1.585 4.543 277 HG SER 36 HG SER 36 -8.391 0.582 5.970 278 H VAL 37 H VAL 37 -6.282 2.689 3.191 279 HA VAL 37 HA VAL 37 -3.626 2.641 4.360 280 HB VAL 37 HB VAL 37 -3.701 5.058 3.748 281 1HG1 VAL 37 1HG1 VAL 37 -2.836 3.300 2.197 282 2HG1 VAL 37 2HG1 VAL 37 -4.454 3.249 1.449 283 3HG1 VAL 37 3HG1 VAL 37 -3.497 4.733 1.383 284 1HG2 VAL 37 1HG2 VAL 37 -6.365 4.413 2.373 285 2HG2 VAL 37 2HG2 VAL 37 -6.220 5.374 3.854 286 3HG2 VAL 37 3HG2 VAL 37 -5.478 5.926 2.342 287 H ALA 38 H ALA 38 -2.943 3.714 6.272 288 HA ALA 38 HA ALA 38 -4.763 5.616 7.521 289 1HB ALA 38 1HB ALA 38 -4.739 4.604 9.766 290 2HB ALA 38 2HB ALA 38 -5.586 3.559 8.606 291 3HB ALA 38 3HB ALA 38 -3.923 3.175 9.114 292 H LEU 39 H LEU 39 -3.492 7.302 8.022 293 HA LEU 39 HA LEU 39 -0.627 7.071 8.373 294 1HB LEU 39 2HB LEU 39 -0.692 9.489 8.759 295 2HB LEU 39 3HB LEU 39 -1.406 8.965 7.241 296 HG LEU 39 HG LEU 39 -3.664 9.382 8.068 297 1HD1 LEU 39 1HD1 LEU 39 -3.602 9.016 10.446 298 2HD1 LEU 39 2HD1 LEU 39 -2.289 10.204 10.662 299 3HD1 LEU 39 3HD1 LEU 39 -3.922 10.727 10.209 300 1HD2 LEU 39 1HD2 LEU 39 -2.294 11.175 6.986 301 2HD2 LEU 39 2HD2 LEU 39 -3.493 11.819 8.119 302 3HD2 LEU 39 3HD2 LEU 39 -1.783 11.722 8.590 303 H ALA 40 H ALA 40 -3.190 6.521 10.528 304 HA ALA 40 HA ALA 40 -1.865 7.482 12.943 305 1HB ALA 40 1HB ALA 40 -4.168 5.515 12.535 306 2HB ALA 40 2HB ALA 40 -3.614 6.164 14.093 307 3HB ALA 40 3HB ALA 40 -4.297 7.254 12.873 308 H THR 41 H THR 41 -2.647 4.117 11.758 309 HA THR 41 HA THR 41 -0.468 2.966 13.284 310 HB THR 41 HB THR 41 -1.277 0.966 11.792 311 HG1 THR 41 1HG THR 41 -3.357 1.342 10.982 312 1HG2 THR 41 1HG2 THR 41 -1.806 1.200 14.190 313 2HG2 THR 41 2HG2 THR 41 -3.138 2.312 13.803 314 3HG2 THR 41 3HG2 THR 41 -3.214 0.612 13.289 315 H ASN 42 H ASN 42 -0.652 4.656 10.295 316 HA ASN 42 HA ASN 42 0.878 5.101 8.688 317 1HB ASN 42 2HB ASN 42 2.810 3.933 10.746 318 2HB ASN 42 3HB ASN 42 3.307 4.527 9.161 319 1HD2 ASN 42 1HD2 ASN 42 1.296 5.665 11.985 320 2HD2 ASN 42 2HD2 ASN 42 1.684 7.317 11.655 321 H LYS 43 H LYS 43 -0.711 3.275 7.940 322 HA LYS 43 HA LYS 43 0.923 1.064 6.860 323 1HB LYS 43 2HB LYS 43 -0.492 -0.681 7.767 324 2HB LYS 43 3HB LYS 43 0.087 0.324 9.085 325 1HG LYS 43 2HG LYS 43 -2.105 -0.007 9.641 326 2HG LYS 43 3HG LYS 43 -2.163 1.597 8.880 327 1HD LYS 43 2HD LYS 43 -3.139 0.617 6.848 328 2HD LYS 43 3HD LYS 43 -2.852 -1.026 7.470 329 1HE LYS 43 2HE LYS 43 -4.486 -0.512 9.327 330 2HE LYS 43 3HE LYS 43 -4.746 1.084 8.607 331 1HZ LYS 43 1HZ LYS 43 -5.405 -1.499 7.356 332 2HZ LYS 43 2HZ LYS 43 -6.470 -0.349 7.835 333 3HZ LYS 43 3HZ LYS 43 -5.499 -0.061 6.574 334 H ALA 44 H ALA 44 -0.251 -0.372 5.539 335 HA ALA 44 HA ALA 44 -2.700 0.651 4.291 336 1HB ALA 44 1HB ALA 44 -0.238 0.058 2.616 337 2HB ALA 44 2HB ALA 44 -1.874 0.354 2.011 338 3HB ALA 44 3HB ALA 44 -0.997 1.647 2.852 339 H HIS 45 H HIS 45 -3.923 -1.029 4.850 340 HA HIS 45 HA HIS 45 -3.018 -3.905 4.611 341 1HB HIS 45 2HB HIS 45 -4.467 -3.236 6.530 342 2HB HIS 45 3HB HIS 45 -5.686 -2.739 5.376 343 HD1 HIS 45 1HD HIS 45 -5.245 -5.627 7.502 344 HD2 HIS 45 2HD HIS 45 -5.565 -5.222 3.398 345 HE1 HIS 45 1HE HIS 45 -6.425 -7.667 6.709 346 H ILE 46 H ILE 46 -2.368 -3.988 2.623 347 HA ILE 46 HA ILE 46 -4.204 -3.288 0.421 348 HB ILE 46 HB ILE 46 -1.369 -4.384 0.446 349 1HG1 ILE 46 2HG1 ILE 46 -2.452 -1.568 -0.109 350 2HG1 ILE 46 3HG1 ILE 46 -1.562 -2.048 1.340 351 1HG2 ILE 46 1HG2 ILE 46 -2.773 -4.926 -1.624 352 2HG2 ILE 46 2HG2 ILE 46 -2.979 -3.178 -1.828 353 3HG2 ILE 46 3HG2 ILE 46 -1.372 -3.927 -1.955 354 1HD1 ILE 46 1HD1 ILE 46 -0.032 -0.946 -0.101 355 2HD1 ILE 46 2HD1 ILE 46 0.368 -2.678 -0.048 356 3HD1 ILE 46 3HD1 ILE 46 -0.470 -1.982 -1.471 357 H LYS 47 H LYS 47 -5.148 -4.907 -0.799 358 HA LYS 47 HA LYS 47 -4.426 -7.729 -0.201 359 1HB LYS 47 2HB LYS 47 -7.199 -6.750 -0.819 360 2HB LYS 47 3HB LYS 47 -6.681 -8.440 -0.549 361 1HG LYS 47 2HG LYS 47 -5.941 -7.629 1.786 362 2HG LYS 47 3HG LYS 47 -6.879 -6.176 1.476 363 1HD LYS 47 2HD LYS 47 -7.925 -9.053 1.609 364 2HD LYS 47 3HD LYS 47 -8.107 -7.790 2.815 365 1HE LYS 47 2HE LYS 47 -10.192 -7.900 1.740 366 2HE LYS 47 3HE LYS 47 -9.435 -6.434 1.116 367 1HZ LYS 47 1HZ LYS 47 -9.555 -9.052 -0.256 368 2HZ LYS 47 2HZ LYS 47 -10.482 -7.741 -0.608 369 3HZ LYS 47 3HZ LYS 47 -8.866 -7.697 -0.876 370 H TYR 48 H TYR 48 -3.454 -8.438 -2.047 371 HA TYR 48 HA TYR 48 -4.344 -7.341 -4.658 372 1HB TYR 48 2HB TYR 48 -2.106 -6.793 -5.283 373 2HB TYR 48 3HB TYR 48 -2.459 -5.956 -3.781 374 HD1 TYR 48 HD1 TYR 48 -0.295 -8.313 -5.482 375 HD2 TYR 48 HD2 TYR 48 -1.463 -6.873 -1.593 376 HE1 TYR 48 HE1 TYR 48 1.846 -9.127 -4.528 377 HE2 TYR 48 HE2 TYR 48 0.590 -7.830 -0.623 378 HH TYR 48 HH TYR 48 2.483 -9.069 -1.018 379 H ASP 49 H ASP 49 -3.501 -8.573 -6.473 380 HA ASP 49 HA ASP 49 -3.388 -11.476 -5.868 381 1HB ASP 49 2HB ASP 49 -3.765 -9.901 -8.425 382 2HB ASP 49 3HB ASP 49 -3.564 -11.660 -8.364 383 HA PRO 50 HA PRO 50 1.038 -10.590 -6.105 384 1HB PRO 50 2HB PRO 50 2.060 -12.786 -4.911 385 2HB PRO 50 3HB PRO 50 1.002 -11.658 -4.020 386 1HG PRO 50 2HG PRO 50 0.145 -14.206 -5.435 387 2HG PRO 50 3HG PRO 50 -0.128 -13.771 -3.722 388 1HD PRO 50 2HD PRO 50 -2.003 -13.286 -5.634 389 2HD PRO 50 3HD PRO 50 -1.715 -12.111 -4.315 390 H GLU 51 H GLU 51 0.300 -10.857 -8.479 391 HA GLU 51 HA GLU 51 2.234 -12.324 -9.982 392 1HB GLU 51 2HB GLU 51 0.630 -13.820 -11.202 393 2HB GLU 51 3HB GLU 51 0.953 -14.295 -9.537 394 1HG GLU 51 2HG GLU 51 -1.236 -13.262 -8.840 395 2HG GLU 51 3HG GLU 51 -1.573 -12.937 -10.556 396 H ILE 52 H ILE 52 -1.033 -10.867 -9.961 397 HA ILE 52 HA ILE 52 -0.727 -9.549 -12.522 398 HB ILE 52 HB ILE 52 -2.509 -8.749 -10.191 399 1HG1 ILE 52 2HG1 ILE 52 -2.923 -10.768 -12.422 400 2HG1 ILE 52 3HG1 ILE 52 -2.973 -11.038 -10.670 401 1HG2 ILE 52 1HG2 ILE 52 -3.877 -7.679 -11.959 402 2HG2 ILE 52 2HG2 ILE 52 -2.247 -7.026 -11.992 403 3HG2 ILE 52 3HG2 ILE 52 -2.733 -8.235 -13.198 404 1HD1 ILE 52 1HD1 ILE 52 -5.041 -9.577 -12.341 405 2HD1 ILE 52 2HD1 ILE 52 -5.224 -11.062 -11.399 406 3HD1 ILE 52 3HD1 ILE 52 -4.994 -9.517 -10.560 407 H ILE 53 H ILE 53 0.054 -8.760 -9.092 408 HA ILE 53 HA ILE 53 1.970 -6.821 -10.055 409 HB ILE 53 HB ILE 53 -0.256 -5.602 -9.673 410 1HG1 ILE 53 2HG1 ILE 53 1.880 -4.622 -7.806 411 2HG1 ILE 53 3HG1 ILE 53 2.131 -4.649 -9.572 412 1HG2 ILE 53 1HG2 ILE 53 0.396 -5.945 -6.705 413 2HG2 ILE 53 2HG2 ILE 53 -1.002 -5.147 -7.444 414 3HG2 ILE 53 3HG2 ILE 53 -0.853 -6.905 -7.545 415 1HD1 ILE 53 1HD1 ILE 53 -0.123 -3.165 -8.161 416 2HD1 ILE 53 2HD1 ILE 53 1.356 -2.441 -8.817 417 3HD1 ILE 53 3HD1 ILE 53 0.195 -3.219 -9.910 418 H GLY 54 H GLY 54 3.770 -6.898 -8.723 419 1HA GLY 54 2HA GLY 54 3.754 -8.999 -6.642 420 2HA GLY 54 1HA GLY 54 5.152 -8.194 -7.378 421 HA PRO 55 HA PRO 55 4.115 -6.222 -3.134 422 1HB PRO 55 2HB PRO 55 6.411 -7.110 -1.847 423 2HB PRO 55 3HB PRO 55 4.812 -7.883 -1.735 424 1HG PRO 55 2HG PRO 55 7.120 -8.669 -3.515 425 2HG PRO 55 3HG PRO 55 6.055 -9.729 -2.551 426 1HD PRO 55 2HD PRO 55 5.671 -9.369 -5.215 427 2HD PRO 55 3HD PRO 55 4.282 -9.511 -4.104 428 H ARG 56 H ARG 56 7.184 -6.929 -4.869 429 HA ARG 56 HA ARG 56 8.568 -4.521 -4.353 430 1HB ARG 56 2HB ARG 56 8.623 -6.539 -6.608 431 2HB ARG 56 3HB ARG 56 9.503 -5.020 -6.757 432 1HG ARG 56 2HG ARG 56 10.999 -6.694 -5.922 433 2HG ARG 56 3HG ARG 56 10.762 -5.418 -4.727 434 1HD ARG 56 2HD ARG 56 9.206 -6.842 -3.453 435 2HD ARG 56 3HD ARG 56 9.368 -8.148 -4.631 436 HE ARG 56 HE ARG 56 11.170 -7.343 -2.486 437 1HH1 ARG 56 2HH2 ARG 56 11.096 -8.936 -5.621 438 2HH1 ARG 56 1HH2 ARG 56 12.492 -9.933 -5.347 439 1HH2 ARG 56 2HH1 ARG 56 13.052 -8.617 -2.075 440 2HH2 ARG 56 1HH1 ARG 56 13.643 -9.720 -3.273 441 H ASP 57 H ASP 57 5.924 -5.108 -6.690 442 HA ASP 57 HA ASP 57 6.380 -2.616 -8.118 443 1HB ASP 57 2HB ASP 57 3.971 -4.433 -7.955 444 2HB ASP 57 3HB ASP 57 4.162 -3.096 -9.103 445 H ILE 58 H ILE 58 4.094 -3.781 -5.615 446 HA ILE 58 HA ILE 58 2.700 -1.343 -5.144 447 HB ILE 58 HB ILE 58 3.340 -3.781 -3.468 448 1HG1 ILE 58 2HG1 ILE 58 0.651 -2.712 -4.172 449 2HG1 ILE 58 3HG1 ILE 58 1.602 -3.545 -5.421 450 1HG2 ILE 58 1HG2 ILE 58 1.829 -2.968 -1.725 451 2HG2 ILE 58 2HG2 ILE 58 3.302 -2.021 -1.791 452 3HG2 ILE 58 3HG2 ILE 58 1.801 -1.358 -2.481 453 1HD1 ILE 58 1HD1 ILE 58 0.136 -5.126 -4.297 454 2HD1 ILE 58 2HD1 ILE 58 1.840 -5.523 -4.022 455 3HD1 ILE 58 3HD1 ILE 58 0.883 -4.762 -2.728 456 H ILE 59 H ILE 59 5.638 -2.616 -3.548 457 HA ILE 59 HA ILE 59 6.263 -0.344 -1.975 458 HB ILE 59 HB ILE 59 8.033 -2.420 -3.328 459 1HG1 ILE 59 2HG1 ILE 59 6.626 -3.495 -1.673 460 2HG1 ILE 59 3HG1 ILE 59 8.261 -3.371 -1.050 461 1HG2 ILE 59 1HG2 ILE 59 9.430 -0.563 -2.957 462 2HG2 ILE 59 2HG2 ILE 59 8.763 -0.267 -1.337 463 3HG2 ILE 59 3HG2 ILE 59 9.762 -1.706 -1.657 464 1HD1 ILE 59 1HD1 ILE 59 7.484 -1.352 0.279 465 2HD1 ILE 59 2HD1 ILE 59 5.832 -1.706 -0.309 466 3HD1 ILE 59 3HD1 ILE 59 6.690 -2.883 0.696 467 H HIS 60 H HIS 60 7.306 -1.094 -5.356 468 HA HIS 60 HA HIS 60 8.717 1.272 -5.749 469 1HB HIS 60 2HB HIS 60 8.664 -0.734 -7.256 470 2HB HIS 60 3HB HIS 60 7.107 -0.179 -7.885 471 HD1 HIS 60 1HD HIS 60 7.224 2.160 -9.338 472 HD2 HIS 60 2HD HIS 60 10.855 0.535 -7.976 473 HE1 HIS 60 1HE HIS 60 9.084 3.385 -10.595 474 H THR 61 H THR 61 5.163 0.716 -6.106 475 HA THR 61 HA THR 61 4.590 3.325 -7.156 476 HB THR 61 HB THR 61 2.880 1.374 -5.553 477 HG1 THR 61 1HG THR 61 1.964 1.195 -7.715 478 1HG2 THR 61 1HG2 THR 61 2.098 3.959 -6.956 479 2HG2 THR 61 2HG2 THR 61 0.952 2.709 -6.425 480 3HG2 THR 61 3HG2 THR 61 1.917 3.562 -5.225 481 H ILE 62 H ILE 62 4.507 2.063 -3.802 482 HA ILE 62 HA ILE 62 3.872 4.420 -2.409 483 HB ILE 62 HB ILE 62 5.390 1.891 -1.833 484 1HG1 ILE 62 2HG1 ILE 62 2.845 2.990 -0.590 485 2HG1 ILE 62 3HG1 ILE 62 2.849 2.078 -2.105 486 1HG2 ILE 62 1HG2 ILE 62 6.445 3.658 -0.348 487 2HG2 ILE 62 2HG2 ILE 62 4.829 3.888 0.372 488 3HG2 ILE 62 3HG2 ILE 62 5.657 2.332 0.463 489 1HD1 ILE 62 1HD1 ILE 62 3.805 1.021 0.581 490 2HD1 ILE 62 2HD1 ILE 62 2.335 0.568 -0.296 491 3HD1 ILE 62 3HD1 ILE 62 3.927 0.157 -0.965 492 H GLU 63 H GLU 63 7.156 3.195 -3.190 493 HA GLU 63 HA GLU 63 8.645 5.390 -2.195 494 1HB GLU 63 2HB GLU 63 9.186 3.382 -4.416 495 2HB GLU 63 3HB GLU 63 10.399 4.500 -3.779 496 1HG GLU 63 2HG GLU 63 10.241 3.536 -1.556 497 2HG GLU 63 3HG GLU 63 8.912 2.480 -2.035 498 H SER 64 H SER 64 7.607 4.687 -5.554 499 HA SER 64 HA SER 64 8.683 7.021 -6.694 500 1HB SER 64 2HB SER 64 7.961 4.993 -7.947 501 2HB SER 64 3HB SER 64 6.267 5.441 -7.658 502 HG SER 64 HG SER 64 7.061 7.563 -8.663 503 H LEU 65 H LEU 65 5.569 6.548 -5.028 504 HA LEU 65 HA LEU 65 4.468 9.090 -5.871 505 1HB LEU 65 2HB LEU 65 3.857 7.196 -3.585 506 2HB LEU 65 3HB LEU 65 2.943 8.681 -3.852 507 HG LEU 65 HG LEU 65 3.229 6.550 -6.003 508 1HD1 LEU 65 1HD1 LEU 65 1.083 5.696 -5.240 509 2HD1 LEU 65 2HD1 LEU 65 2.243 5.606 -3.910 510 3HD1 LEU 65 3HD1 LEU 65 1.020 6.896 -3.929 511 1HD2 LEU 65 1HD2 LEU 65 1.247 7.551 -6.956 512 2HD2 LEU 65 2HD2 LEU 65 1.116 8.705 -5.621 513 3HD2 LEU 65 3HD2 LEU 65 2.467 8.811 -6.773 514 H GLY 66 H GLY 66 5.416 8.162 -2.522 515 1HA GLY 66 2HA GLY 66 7.237 10.384 -2.335 516 2HA GLY 66 1HA GLY 66 5.720 10.770 -1.512 517 H PHE 67 H PHE 67 6.643 7.322 -1.251 518 HA PHE 67 HA PHE 67 6.748 8.044 1.662 519 1HB PHE 67 2HB PHE 67 5.052 6.030 0.187 520 2HB PHE 67 3HB PHE 67 4.969 6.385 1.912 521 HD1 PHE 67 1HD PHE 67 4.748 9.097 2.339 522 HD2 PHE 67 2HD PHE 67 3.405 7.004 -1.177 523 HE1 PHE 67 1HE PHE 67 3.297 11.012 1.758 524 HE2 PHE 67 2HE PHE 67 1.886 8.892 -1.713 525 HZ PHE 67 HZ PHE 67 1.815 10.893 -0.217 526 H GLU 68 H GLU 68 7.253 6.327 3.103 527 HA GLU 68 HA GLU 68 9.287 4.399 2.046 528 1HB GLU 68 2HB GLU 68 8.534 4.696 4.929 529 2HB GLU 68 3HB GLU 68 10.060 4.174 4.251 530 1HG GLU 68 2HG GLU 68 10.701 6.476 3.767 531 2HG GLU 68 3HG GLU 68 9.090 7.078 4.205 532 H ALA 69 H ALA 69 9.005 2.114 3.049 533 HA ALA 69 HA ALA 69 6.608 1.618 4.474 534 1HB ALA 69 1HB ALA 69 5.470 1.367 2.391 535 2HB ALA 69 2HB ALA 69 6.840 0.504 1.643 536 3HB ALA 69 3HB ALA 69 5.831 -0.288 2.869 537 H SER 70 H SER 70 6.411 -0.714 5.077 538 HA SER 70 HA SER 70 8.839 -2.351 4.896 539 1HB SER 70 2HB SER 70 7.870 -1.225 7.567 540 2HB SER 70 3HB SER 70 9.048 -2.536 7.385 541 HG SER 70 HG SER 70 9.735 -0.392 5.858 542 H LEU 71 H LEU 71 8.118 -4.425 4.706 543 HA LEU 71 HA LEU 71 5.278 -4.952 4.883 544 1HB LEU 71 2HB LEU 71 5.882 -7.189 4.072 545 2HB LEU 71 3HB LEU 71 6.402 -5.874 3.032 546 HG LEU 71 HG LEU 71 8.485 -6.709 4.992 547 1HD1 LEU 71 1HD1 LEU 71 7.469 -8.907 4.587 548 2HD1 LEU 71 2HD1 LEU 71 7.567 -8.650 2.831 549 3HD1 LEU 71 3HD1 LEU 71 9.052 -8.791 3.800 550 1HD2 LEU 71 1HD2 LEU 71 8.492 -6.483 1.945 551 2HD2 LEU 71 2HD2 LEU 71 8.896 -5.154 3.045 552 3HD2 LEU 71 3HD2 LEU 71 9.912 -6.603 3.002 553 H VAL 72 H VAL 72 5.292 -4.325 7.225 554 HA VAL 72 HA VAL 72 6.337 -6.076 9.149 555 HB VAL 72 HB VAL 72 5.618 -3.791 9.603 556 1HG1 VAL 72 1HG1 VAL 72 2.746 -4.814 9.683 557 2HG1 VAL 72 2HG1 VAL 72 3.328 -3.203 10.088 558 3HG1 VAL 72 3HG1 VAL 72 3.423 -3.768 8.414 559 1HG2 VAL 72 1HG2 VAL 72 6.017 -5.376 11.438 560 2HG2 VAL 72 2HG2 VAL 72 4.751 -4.211 11.858 561 3HG2 VAL 72 3HG2 VAL 72 4.313 -5.870 11.404 562 H LYS 73 H LYS 73 2.937 -6.081 7.814 563 HA LYS 73 HA LYS 73 1.335 -7.654 7.917 564 1HB LYS 73 2HB LYS 73 3.126 -8.710 6.495 565 2HB LYS 73 3HB LYS 73 3.593 -9.699 7.859 566 1HG LYS 73 2HG LYS 73 0.762 -9.590 6.677 567 2HG LYS 73 3HG LYS 73 2.004 -10.661 6.048 568 1HD LYS 73 2HD LYS 73 0.878 -10.776 8.878 569 2HD LYS 73 3HD LYS 73 0.435 -11.814 7.539 570 1HE LYS 73 2HE LYS 73 2.746 -12.675 7.367 571 2HE LYS 73 3HE LYS 73 3.253 -11.663 8.737 572 1HZ LYS 73 1HZ LYS 73 2.623 -14.039 9.271 573 2HZ LYS 73 2HZ LYS 73 1.907 -12.874 10.194 574 3HZ LYS 73 3HZ LYS 73 1.039 -13.546 9.073 575 H ILE 74 H ILE 74 1.305 -6.569 10.077 576 HA ILE 74 HA ILE 74 2.641 -7.613 12.263 577 HB ILE 74 HB ILE 74 1.950 -5.306 12.089 578 1HG1 ILE 74 2HG1 ILE 74 1.112 -4.875 14.355 579 2HG1 ILE 74 3HG1 ILE 74 0.707 -6.580 14.564 580 1HG2 ILE 74 1HG2 ILE 74 -0.921 -6.145 12.645 581 2HG2 ILE 74 2HG2 ILE 74 -0.296 -4.508 12.420 582 3HG2 ILE 74 3HG2 ILE 74 -0.309 -5.630 11.057 583 1HD1 ILE 74 1HD1 ILE 74 3.087 -7.189 14.430 584 2HD1 ILE 74 2HD1 ILE 74 3.517 -5.509 14.024 585 3HD1 ILE 74 3HD1 ILE 74 2.866 -5.907 15.626 586 H GLU 75 H GLU 75 -0.792 -8.112 11.446 587 HA GLU 75 HA GLU 75 -2.423 -9.403 12.311 588 1HB GLU 75 2HB GLU 75 -0.109 -11.227 13.028 589 2HB GLU 75 3HB GLU 75 -1.799 -11.684 13.193 590 1HG GLU 75 2HG GLU 75 -2.223 -11.683 10.883 591 2HG GLU 75 3HG GLU 75 -0.854 -10.631 10.519 Start of MODEL 12 1 1H MET 1 H1 MET 1 -3.898 -15.031 -8.022 2 2H MET 1 H2 MET 1 -4.108 -15.891 -9.402 3 3H MET 1 H3 MET 1 -5.232 -14.825 -8.822 4 HA MET 1 HA MET 1 -6.045 -17.007 -8.475 5 1HB MET 1 2HB MET 1 -3.912 -18.165 -8.578 6 2HB MET 1 3HB MET 1 -3.439 -17.549 -6.992 7 1HG MET 1 2HG MET 1 -5.350 -18.796 -5.977 8 2HG MET 1 3HG MET 1 -5.847 -19.328 -7.593 9 1HE MET 1 1HE MET 1 -4.606 -22.618 -5.904 10 2HE MET 1 2HE MET 1 -5.454 -21.269 -5.113 11 3HE MET 1 3HE MET 1 -5.953 -21.808 -6.737 12 H GLY 2 H GLY 2 -4.179 -16.370 -5.468 13 1HA GLY 2 2HA GLY 2 -6.784 -16.180 -4.080 14 2HA GLY 2 1HA GLY 2 -5.196 -16.511 -3.380 15 H ASP 3 H ASP 3 -6.953 -14.688 -2.201 16 HA ASP 3 HA ASP 3 -6.162 -11.959 -2.804 17 1HB ASP 3 2HB ASP 3 -8.278 -12.393 -1.683 18 2HB ASP 3 3HB ASP 3 -7.446 -13.225 -0.353 19 H GLY 4 H GLY 4 -3.953 -11.722 -2.806 20 1HA GLY 4 2HA GLY 4 -2.185 -12.702 -0.695 21 2HA GLY 4 1HA GLY 4 -1.817 -11.540 -1.979 22 H VAL 5 H VAL 5 -3.357 -11.959 1.160 23 HA VAL 5 HA VAL 5 -3.846 -9.135 1.596 24 HB VAL 5 HB VAL 5 -3.481 -11.208 3.790 25 1HG1 VAL 5 1HG1 VAL 5 -3.693 -8.861 4.496 26 2HG1 VAL 5 2HG1 VAL 5 -5.186 -8.710 3.551 27 3HG1 VAL 5 3HG1 VAL 5 -5.123 -9.789 4.960 28 1HG2 VAL 5 1HG2 VAL 5 -5.979 -11.570 3.624 29 2HG2 VAL 5 2HG2 VAL 5 -5.902 -10.765 2.039 30 3HG2 VAL 5 3HG2 VAL 5 -5.048 -12.294 2.312 31 H LEU 6 H LEU 6 -2.370 -7.607 2.338 32 HA LEU 6 HA LEU 6 -0.116 -8.500 3.953 33 1HB LEU 6 2HB LEU 6 0.611 -8.579 1.484 34 2HB LEU 6 3HB LEU 6 0.385 -6.828 1.470 35 HG LEU 6 HG LEU 6 2.120 -6.690 3.332 36 1HD1 LEU 6 1HD1 LEU 6 2.029 -9.019 4.179 37 2HD1 LEU 6 2HD1 LEU 6 2.494 -9.634 2.579 38 3HD1 LEU 6 3HD1 LEU 6 3.638 -8.676 3.539 39 1HD2 LEU 6 1HD2 LEU 6 2.942 -7.975 0.686 40 2HD2 LEU 6 2HD2 LEU 6 2.654 -6.245 0.955 41 3HD2 LEU 6 3HD2 LEU 6 4.008 -7.049 1.763 42 H GLU 7 H GLU 7 0.526 -6.874 5.399 43 HA GLU 7 HA GLU 7 -0.594 -4.198 4.965 44 1HB GLU 7 2HB GLU 7 -2.171 -5.451 6.455 45 2HB GLU 7 3HB GLU 7 -0.878 -5.550 7.666 46 1HG GLU 7 2HG GLU 7 -0.749 -3.136 7.785 47 2HG GLU 7 3HG GLU 7 -1.760 -2.919 6.391 48 H LEU 8 H LEU 8 1.061 -2.914 4.830 49 HA LEU 8 HA LEU 8 3.428 -3.446 6.565 50 1HB LEU 8 2HB LEU 8 4.924 -2.823 4.791 51 2HB LEU 8 3HB LEU 8 4.016 -4.283 4.450 52 HG LEU 8 HG LEU 8 4.479 -3.021 2.507 53 1HD1 LEU 8 1HD1 LEU 8 2.408 -3.084 1.390 54 2HD1 LEU 8 2HD1 LEU 8 2.341 -4.345 2.635 55 3HD1 LEU 8 3HD1 LEU 8 1.488 -2.804 2.866 56 1HD2 LEU 8 1HD2 LEU 8 4.514 -0.743 3.502 57 2HD2 LEU 8 2HD2 LEU 8 3.645 -0.857 1.960 58 3HD2 LEU 8 3HD2 LEU 8 2.734 -0.756 3.471 59 H VAL 9 H VAL 9 4.714 -1.544 7.054 60 HA VAL 9 HA VAL 9 2.952 0.679 7.735 61 HB VAL 9 HB VAL 9 5.596 -0.400 8.599 62 1HG1 VAL 9 1HG1 VAL 9 6.208 1.691 9.730 63 2HG1 VAL 9 2HG1 VAL 9 6.345 1.789 7.971 64 3HG1 VAL 9 3HG1 VAL 9 4.962 2.557 8.804 65 1HG2 VAL 9 1HG2 VAL 9 4.653 0.119 10.795 66 2HG2 VAL 9 2HG2 VAL 9 3.319 1.022 10.054 67 3HG2 VAL 9 3HG2 VAL 9 3.432 -0.735 9.826 68 H VAL 10 H VAL 10 3.164 2.727 6.832 69 HA VAL 10 HA VAL 10 5.075 3.227 4.651 70 HB VAL 10 HB VAL 10 2.054 3.732 4.661 71 1HG1 VAL 10 1HG1 VAL 10 4.312 4.436 2.771 72 2HG1 VAL 10 2HG1 VAL 10 2.583 4.566 2.332 73 3HG1 VAL 10 3HG1 VAL 10 3.253 5.559 3.637 74 1HG2 VAL 10 1HG2 VAL 10 2.420 1.425 4.137 75 2HG2 VAL 10 2HG2 VAL 10 2.170 2.260 2.598 76 3HG2 VAL 10 3HG2 VAL 10 3.811 1.801 3.098 77 H ARG 11 H ARG 11 6.313 4.518 5.975 78 HA ARG 11 HA ARG 11 5.068 6.564 7.710 79 1HB ARG 11 2HB ARG 11 7.933 5.824 7.054 80 2HB ARG 11 3HB ARG 11 7.459 7.171 8.094 81 1HG ARG 11 2HG ARG 11 6.233 5.485 9.552 82 2HG ARG 11 3HG ARG 11 6.959 4.209 8.564 83 1HD ARG 11 2HD ARG 11 8.447 6.266 10.281 84 2HD ARG 11 3HD ARG 11 8.231 4.563 10.620 85 HE ARG 11 HE ARG 11 9.805 3.934 9.061 86 1HH1 ARG 11 2HH2 ARG 11 9.399 7.457 8.917 87 2HH1 ARG 11 1HH2 ARG 11 10.587 7.673 7.667 88 1HH2 ARG 11 2HH1 ARG 11 11.623 4.274 7.658 89 2HH2 ARG 11 1HH1 ARG 11 11.955 5.883 7.077 90 H GLY 12 H GLY 12 5.563 8.835 7.406 91 1HA GLY 12 2HA GLY 12 6.307 10.678 6.162 92 2HA GLY 12 1HA GLY 12 6.348 9.726 4.680 93 H MET 13 H MET 13 3.488 8.789 6.091 94 HA MET 13 HA MET 13 1.884 10.329 4.294 95 1HB MET 13 2HB MET 13 1.147 8.478 6.595 96 2HB MET 13 3HB MET 13 0.034 9.188 5.403 97 1HG MET 13 2HG MET 13 1.134 8.012 3.590 98 2HG MET 13 3HG MET 13 2.391 7.406 4.669 99 1HE MET 13 1HE MET 13 -2.022 6.141 5.087 100 2HE MET 13 2HE MET 13 -1.342 7.614 5.757 101 3HE MET 13 3HE MET 13 -1.454 7.427 3.990 102 H THR 14 H THR 14 2.656 12.447 5.121 103 HA THR 14 HA THR 14 2.105 13.245 7.772 104 HB THR 14 HB THR 14 3.869 14.219 6.437 105 HG1 THR 14 1HG THR 14 1.896 15.830 7.597 106 1HG2 THR 14 1HG2 THR 14 3.401 15.969 4.771 107 2HG2 THR 14 2HG2 THR 14 2.815 14.387 4.237 108 3HG2 THR 14 3HG2 THR 14 1.665 15.603 4.844 109 H CYS 15 H CYS 15 -0.266 13.126 5.158 110 HA CYS 15 HA CYS 15 -2.232 14.280 6.941 111 1HB CYS 15 2HB CYS 15 -2.784 16.248 5.633 112 2HB CYS 15 3HB CYS 15 -1.086 16.328 6.057 113 H ALA 16 H ALA 16 -4.337 14.638 5.639 114 HA ALA 16 HA ALA 16 -5.335 12.273 4.585 115 1HB ALA 16 1HB ALA 16 -7.178 13.661 3.684 116 2HB ALA 16 2HB ALA 16 -6.752 14.145 5.342 117 3HB ALA 16 3HB ALA 16 -6.218 15.126 3.953 118 H SER 17 H SER 17 -3.726 14.942 2.874 119 HA SER 17 HA SER 17 -4.286 14.305 0.218 120 1HB SER 17 2HB SER 17 -2.958 16.300 1.078 121 2HB SER 17 3HB SER 17 -1.547 15.219 1.116 122 HG SER 17 HG SER 17 -3.183 15.705 -1.156 123 H CYS 18 H CYS 18 -1.791 12.949 2.452 124 HA CYS 18 HA CYS 18 -0.535 11.307 0.472 125 1HB CYS 18 2HB CYS 18 -0.607 11.021 3.503 126 2HB CYS 18 3HB CYS 18 0.522 10.250 2.395 127 H VAL 19 H VAL 19 -3.086 10.736 2.896 128 HA VAL 19 HA VAL 19 -3.400 7.954 2.496 129 HB VAL 19 HB VAL 19 -5.458 10.067 3.268 130 1HG1 VAL 19 1HG1 VAL 19 -5.699 7.047 3.532 131 2HG1 VAL 19 2HG1 VAL 19 -6.812 8.255 4.186 132 3HG1 VAL 19 3HG1 VAL 19 -6.655 8.067 2.439 133 1HG2 VAL 19 1HG2 VAL 19 -5.049 9.227 5.545 134 2HG2 VAL 19 2HG2 VAL 19 -3.844 8.086 4.918 135 3HG2 VAL 19 3HG2 VAL 19 -3.544 9.834 4.828 136 H HIS 20 H HIS 20 -5.405 10.571 0.956 137 HA HIS 20 HA HIS 20 -6.555 8.520 -0.711 138 1HB HIS 20 2HB HIS 20 -8.022 9.971 -1.579 139 2HB HIS 20 3HB HIS 20 -7.727 10.611 0.041 140 HD1 HIS 20 1HD HIS 20 -8.475 12.030 -3.070 141 HD2 HIS 20 2HD HIS 20 -5.391 12.503 -0.291 142 HE1 HIS 20 1HE HIS 20 -7.534 14.378 -3.422 143 H LYS 21 H LYS 21 -3.820 10.731 -1.217 144 HA LYS 21 HA LYS 21 -3.375 10.304 -3.979 145 1HB LYS 21 2HB LYS 21 -2.140 11.898 -2.636 146 2HB LYS 21 3HB LYS 21 -1.467 10.592 -1.638 147 1HG LYS 21 2HG LYS 21 -0.201 9.789 -3.622 148 2HG LYS 21 3HG LYS 21 -0.831 11.172 -4.553 149 1HD LYS 21 2HD LYS 21 0.140 12.729 -2.832 150 2HD LYS 21 3HD LYS 21 0.739 11.326 -1.938 151 1HE LYS 21 2HE LYS 21 2.077 10.720 -4.047 152 2HE LYS 21 3HE LYS 21 1.670 12.310 -4.680 153 1HZ LYS 21 1HZ LYS 21 3.032 11.870 -2.094 154 2HZ LYS 21 2HZ LYS 21 3.844 12.047 -3.488 155 3HZ LYS 21 3HZ LYS 21 2.906 13.290 -2.920 156 H ILE 22 H ILE 22 -2.270 8.338 -1.114 157 HA ILE 22 HA ILE 22 -1.134 6.286 -2.749 158 HB ILE 22 HB ILE 22 -2.098 6.201 0.117 159 1HG1 ILE 22 2HG1 ILE 22 0.752 6.190 -0.961 160 2HG1 ILE 22 3HG1 ILE 22 -0.100 7.687 -0.578 161 1HG2 ILE 22 1HG2 ILE 22 -2.160 3.933 -0.683 162 2HG2 ILE 22 2HG2 ILE 22 -0.665 4.143 -1.625 163 3HG2 ILE 22 3HG2 ILE 22 -0.606 4.066 0.135 164 1HD1 ILE 22 1HD1 ILE 22 -0.473 6.886 1.753 165 2HD1 ILE 22 2HD1 ILE 22 0.540 5.466 1.404 166 3HD1 ILE 22 3HD1 ILE 22 1.235 7.082 1.341 167 H GLU 23 H GLU 23 -4.356 6.321 -1.049 168 HA GLU 23 HA GLU 23 -5.256 3.859 -1.970 169 1HB GLU 23 2HB GLU 23 -6.893 6.397 -1.605 170 2HB GLU 23 3HB GLU 23 -7.580 4.783 -1.776 171 1HG GLU 23 2HG GLU 23 -5.589 5.400 0.405 172 2HG GLU 23 3HG GLU 23 -7.297 5.785 0.595 173 H SER 24 H SER 24 -5.788 7.011 -3.577 174 HA SER 24 HA SER 24 -7.148 6.072 -5.863 175 1HB SER 24 2HB SER 24 -7.042 8.422 -5.083 176 2HB SER 24 3HB SER 24 -5.337 8.516 -5.561 177 HG SER 24 HG SER 24 -6.790 9.339 -7.157 178 H SER 25 H SER 25 -3.639 6.225 -5.173 179 HA SER 25 HA SER 25 -2.884 5.748 -7.961 180 1HB SER 25 2HB SER 25 -1.423 6.930 -6.277 181 2HB SER 25 3HB SER 25 -1.250 5.363 -5.446 182 HG SER 25 HG SER 25 -0.433 4.546 -7.479 183 H LEU 26 H LEU 26 -3.501 3.915 -4.985 184 HA LEU 26 HA LEU 26 -2.431 1.438 -5.884 185 1HB LEU 26 2HB LEU 26 -4.220 2.254 -3.630 186 2HB LEU 26 3HB LEU 26 -3.955 0.564 -4.010 187 HG LEU 26 HG LEU 26 -1.733 2.548 -3.428 188 1HD1 LEU 26 1HD1 LEU 26 -2.796 0.308 -1.678 189 2HD1 LEU 26 2HD1 LEU 26 -1.591 1.523 -1.231 190 3HD1 LEU 26 3HD1 LEU 26 -3.280 2.009 -1.478 191 1HD2 LEU 26 1HD2 LEU 26 -0.757 0.748 -4.717 192 2HD2 LEU 26 2HD2 LEU 26 -0.414 0.423 -3.023 193 3HD2 LEU 26 3HD2 LEU 26 -1.710 -0.473 -3.836 194 H THR 27 H THR 27 -5.902 2.501 -5.546 195 HA THR 27 HA THR 27 -6.895 0.089 -6.737 196 HB THR 27 HB THR 27 -9.091 1.454 -6.632 197 HG1 THR 27 1HG THR 27 -8.843 3.298 -5.245 198 1HG2 THR 27 1HG2 THR 27 -9.141 1.255 -4.143 199 2HG2 THR 27 2HG2 THR 27 -8.444 -0.182 -4.915 200 3HG2 THR 27 3HG2 THR 27 -7.382 1.019 -4.155 201 H LYS 28 H LYS 28 -5.420 0.423 -8.585 202 HA LYS 28 HA LYS 28 -6.413 1.702 -11.008 203 1HB LYS 28 2HB LYS 28 -5.843 3.700 -10.020 204 2HB LYS 28 3HB LYS 28 -4.736 2.954 -8.900 205 1HG LYS 28 2HG LYS 28 -3.548 4.392 -10.195 206 2HG LYS 28 3HG LYS 28 -2.997 2.777 -10.626 207 1HD LYS 28 2HD LYS 28 -4.232 2.861 -12.758 208 2HD LYS 28 3HD LYS 28 -5.137 4.281 -12.228 209 1HE LYS 28 2HE LYS 28 -3.381 4.876 -13.874 210 2HE LYS 28 3HE LYS 28 -3.198 5.711 -12.324 211 1HZ LYS 28 1HZ LYS 28 -1.498 4.148 -11.728 212 2HZ LYS 28 2HZ LYS 28 -1.669 3.332 -13.151 213 3HZ LYS 28 3HZ LYS 28 -1.111 4.880 -13.147 214 H HIS 29 H HIS 29 -3.546 0.367 -9.165 215 HA HIS 29 HA HIS 29 -2.511 -0.837 -11.645 216 1HB HIS 29 2HB HIS 29 -1.699 -1.888 -8.966 217 2HB HIS 29 3HB HIS 29 -0.791 -1.711 -10.451 218 HD1 HIS 29 1HD HIS 29 0.101 0.925 -10.882 219 HD2 HIS 29 2HD HIS 29 -1.382 -0.211 -7.123 220 HE1 HIS 29 1HE HIS 29 0.957 2.657 -9.192 221 H ARG 30 H ARG 30 -4.366 -1.921 -12.438 222 HA ARG 30 HA ARG 30 -6.046 -3.678 -11.051 223 1HB ARG 30 2HB ARG 30 -4.955 -3.987 -13.895 224 2HB ARG 30 3HB ARG 30 -6.326 -4.880 -13.222 225 1HG ARG 30 2HG ARG 30 -7.518 -2.709 -12.832 226 2HG ARG 30 3HG ARG 30 -6.183 -1.858 -13.633 227 1HD ARG 30 2HD ARG 30 -6.591 -3.332 -15.688 228 2HD ARG 30 3HD ARG 30 -7.945 -4.049 -14.834 229 HE ARG 30 HE ARG 30 -9.262 -2.245 -15.238 230 1HH1 ARG 30 2HH2 ARG 30 -5.929 -1.325 -15.866 231 2HH1 ARG 30 1HH2 ARG 30 -6.304 0.129 -16.742 232 1HH2 ARG 30 2HH1 ARG 30 -9.826 -0.302 -16.359 233 2HH2 ARG 30 1HH1 ARG 30 -8.594 0.736 -16.993 234 H GLY 31 H GLY 31 -5.343 -5.107 -9.608 235 1HA GLY 31 2HA GLY 31 -3.995 -7.467 -9.828 236 2HA GLY 31 1HA GLY 31 -2.689 -6.255 -9.818 237 H ILE 32 H ILE 32 -3.890 -4.255 -8.168 238 HA ILE 32 HA ILE 32 -4.110 -5.600 -5.542 239 HB ILE 32 HB ILE 32 -2.918 -3.751 -5.184 240 1HG1 ILE 32 2HG1 ILE 32 -5.136 -3.868 -3.853 241 2HG1 ILE 32 3HG1 ILE 32 -4.082 -2.464 -3.711 242 1HG2 ILE 32 1HG2 ILE 32 -3.286 -1.503 -6.023 243 2HG2 ILE 32 2HG2 ILE 32 -2.803 -2.685 -7.228 244 3HG2 ILE 32 3HG2 ILE 32 -4.504 -2.148 -7.161 245 1HD1 ILE 32 1HD1 ILE 32 -5.453 -1.110 -5.112 246 2HD1 ILE 32 2HD1 ILE 32 -6.440 -2.475 -5.633 247 3HD1 ILE 32 3HD1 ILE 32 -6.533 -1.897 -3.957 248 H LEU 33 H LEU 33 -6.041 -6.091 -4.695 249 HA LEU 33 HA LEU 33 -8.465 -5.727 -6.369 250 1HB LEU 33 2HB LEU 33 -8.071 -7.440 -3.888 251 2HB LEU 33 3HB LEU 33 -9.403 -7.494 -5.038 252 HG LEU 33 HG LEU 33 -6.504 -8.268 -5.640 253 1HD1 LEU 33 1HD1 LEU 33 -7.617 -9.820 -4.095 254 2HD1 LEU 33 2HD1 LEU 33 -8.979 -9.986 -5.226 255 3HD1 LEU 33 3HD1 LEU 33 -7.362 -10.564 -5.682 256 1HD2 LEU 33 1HD2 LEU 33 -7.443 -9.209 -7.737 257 2HD2 LEU 33 2HD2 LEU 33 -9.019 -8.485 -7.352 258 3HD2 LEU 33 3HD2 LEU 33 -7.607 -7.452 -7.677 259 H TYR 34 H TYR 34 -7.093 -5.169 -3.076 260 HA TYR 34 HA TYR 34 -8.952 -2.910 -2.741 261 1HB TYR 34 2HB TYR 34 -10.180 -4.909 -1.863 262 2HB TYR 34 3HB TYR 34 -8.834 -5.225 -0.774 263 HD1 TYR 34 HD1 TYR 34 -11.469 -2.696 -1.579 264 HD2 TYR 34 HD2 TYR 34 -8.641 -4.169 1.326 265 HE1 TYR 34 HE1 TYR 34 -12.439 -1.191 0.146 266 HE2 TYR 34 HE2 TYR 34 -9.681 -2.757 3.058 267 HH TYR 34 HH TYR 34 -10.889 -0.728 3.252 268 H CYS 35 H CYS 35 -8.291 -1.493 -1.020 269 HA CYS 35 HA CYS 35 -5.735 -1.934 0.307 270 1HB CYS 35 2HB CYS 35 -4.642 -0.038 -0.494 271 2HB CYS 35 3HB CYS 35 -5.177 -0.919 -1.936 272 HG CYS 35 HG CYS 35 -6.251 1.793 -0.446 273 H SER 36 H SER 36 -5.467 -0.591 2.055 274 HA SER 36 HA SER 36 -7.427 1.429 2.741 275 1HB SER 36 2HB SER 36 -7.453 -1.205 4.249 276 2HB SER 36 3HB SER 36 -7.952 0.325 5.002 277 HG SER 36 HG SER 36 -8.997 -0.170 2.494 278 H VAL 37 H VAL 37 -5.537 2.545 2.484 279 HA VAL 37 HA VAL 37 -3.366 2.245 4.381 280 HB VAL 37 HB VAL 37 -3.490 3.106 1.863 281 1HG1 VAL 37 1HG1 VAL 37 -3.722 5.433 1.565 282 2HG1 VAL 37 2HG1 VAL 37 -5.144 4.885 2.487 283 3HG1 VAL 37 3HG1 VAL 37 -3.815 5.744 3.309 284 1HG2 VAL 37 1HG2 VAL 37 -1.676 4.418 3.867 285 2HG2 VAL 37 2HG2 VAL 37 -1.377 2.976 2.875 286 3HG2 VAL 37 3HG2 VAL 37 -1.535 4.564 2.118 287 H ALA 38 H ALA 38 -2.876 3.919 6.125 288 HA ALA 38 HA ALA 38 -4.990 5.940 6.552 289 1HB ALA 38 1HB ALA 38 -5.829 3.931 7.811 290 2HB ALA 38 2HB ALA 38 -4.300 3.937 8.741 291 3HB ALA 38 3HB ALA 38 -5.410 5.304 8.864 292 H LEU 39 H LEU 39 -3.993 7.823 7.182 293 HA LEU 39 HA LEU 39 -1.232 7.921 7.959 294 1HB LEU 39 2HB LEU 39 -1.562 10.226 8.440 295 2HB LEU 39 3HB LEU 39 -2.396 9.802 6.956 296 HG LEU 39 HG LEU 39 -4.526 9.598 8.568 297 1HD1 LEU 39 1HD1 LEU 39 -4.462 11.313 10.356 298 2HD1 LEU 39 2HD1 LEU 39 -3.266 10.074 10.722 299 3HD1 LEU 39 3HD1 LEU 39 -2.746 11.615 10.036 300 1HD2 LEU 39 1HD2 LEU 39 -3.298 12.250 7.717 301 2HD2 LEU 39 2HD2 LEU 39 -4.283 11.191 6.690 302 3HD2 LEU 39 3HD2 LEU 39 -5.011 11.977 8.096 303 H ALA 40 H ALA 40 -4.221 7.513 9.755 304 HA ALA 40 HA ALA 40 -3.530 8.045 12.339 305 1HB ALA 40 1HB ALA 40 -5.758 7.291 11.608 306 2HB ALA 40 2HB ALA 40 -5.134 5.643 11.364 307 3HB ALA 40 3HB ALA 40 -5.180 6.346 12.994 308 H THR 41 H THR 41 -2.677 5.031 10.562 309 HA THR 41 HA THR 41 -0.719 4.447 12.736 310 HB THR 41 HB THR 41 -2.777 3.012 12.741 311 HG1 THR 41 1HG THR 41 -0.673 2.420 13.621 312 1HG2 THR 41 1HG2 THR 41 -2.919 1.142 11.266 313 2HG2 THR 41 2HG2 THR 41 -3.108 2.675 10.382 314 3HG2 THR 41 3HG2 THR 41 -1.567 1.764 10.306 315 H ASN 42 H ASN 42 -0.990 5.456 9.585 316 HA ASN 42 HA ASN 42 0.428 5.619 7.887 317 1HB ASN 42 2HB ASN 42 3.021 5.479 8.807 318 2HB ASN 42 3HB ASN 42 2.003 6.902 8.706 319 1HD2 ASN 42 1HD2 ASN 42 0.480 7.219 10.706 320 2HD2 ASN 42 2HD2 ASN 42 1.200 6.918 12.251 321 H LYS 43 H LYS 43 -0.592 3.619 7.226 322 HA LYS 43 HA LYS 43 1.346 1.551 6.661 323 1HB LYS 43 2HB LYS 43 0.428 -0.170 7.869 324 2HB LYS 43 3HB LYS 43 0.022 1.093 8.956 325 1HG LYS 43 2HG LYS 43 -1.734 -0.483 7.057 326 2HG LYS 43 3HG LYS 43 -1.814 -0.323 8.802 327 1HD LYS 43 2HD LYS 43 -2.421 2.223 8.233 328 2HD LYS 43 3HD LYS 43 -2.903 1.540 6.684 329 1HE LYS 43 2HE LYS 43 -3.984 0.486 9.303 330 2HE LYS 43 3HE LYS 43 -4.782 1.691 8.284 331 1HZ LYS 43 1HZ LYS 43 -5.566 -0.518 7.839 332 2HZ LYS 43 2HZ LYS 43 -4.774 0.020 6.491 333 3HZ LYS 43 3HZ LYS 43 -4.057 -1.052 7.560 334 H ALA 44 H ALA 44 0.435 -0.009 5.165 335 HA ALA 44 HA ALA 44 -1.997 0.813 3.638 336 1HB ALA 44 1HB ALA 44 0.601 -0.282 2.486 337 2HB ALA 44 2HB ALA 44 -0.896 0.076 1.598 338 3HB ALA 44 3HB ALA 44 0.047 1.391 2.326 339 H HIS 45 H HIS 45 -3.435 -0.701 4.273 340 HA HIS 45 HA HIS 45 -2.638 -3.562 4.431 341 1HB HIS 45 2HB HIS 45 -4.332 -2.512 6.072 342 2HB HIS 45 3HB HIS 45 -5.391 -2.332 4.680 343 HD1 HIS 45 1HD HIS 45 -4.624 -4.795 7.349 344 HD2 HIS 45 2HD HIS 45 -5.416 -4.876 3.247 345 HE1 HIS 45 1HE HIS 45 -5.493 -7.130 6.843 346 H ILE 46 H ILE 46 -2.926 -4.754 2.611 347 HA ILE 46 HA ILE 46 -4.329 -3.629 0.324 348 HB ILE 46 HB ILE 46 -2.508 -4.184 -1.188 349 1HG1 ILE 46 2HG1 ILE 46 -0.726 -4.515 1.279 350 2HG1 ILE 46 3HG1 ILE 46 -1.331 -5.853 0.281 351 1HG2 ILE 46 1HG2 ILE 46 -2.812 -1.868 -0.228 352 2HG2 ILE 46 2HG2 ILE 46 -1.486 -2.246 0.908 353 3HG2 ILE 46 3HG2 ILE 46 -1.195 -2.208 -0.848 354 1HD1 ILE 46 1HD1 ILE 46 -0.274 -4.753 -1.710 355 2HD1 ILE 46 2HD1 ILE 46 0.528 -3.629 -0.578 356 3HD1 ILE 46 3HD1 ILE 46 0.869 -5.366 -0.495 357 H LYS 47 H LYS 47 -5.012 -5.198 -1.032 358 HA LYS 47 HA LYS 47 -4.708 -8.074 -0.284 359 1HB LYS 47 2HB LYS 47 -7.097 -6.251 -0.412 360 2HB LYS 47 3HB LYS 47 -7.290 -7.975 -0.812 361 1HG LYS 47 2HG LYS 47 -6.313 -8.524 1.399 362 2HG LYS 47 3HG LYS 47 -6.220 -6.795 1.815 363 1HD LYS 47 2HD LYS 47 -8.575 -6.539 1.825 364 2HD LYS 47 3HD LYS 47 -8.858 -8.044 0.935 365 1HE LYS 47 2HE LYS 47 -7.544 -8.082 3.675 366 2HE LYS 47 3HE LYS 47 -9.304 -8.001 3.530 367 1HZ LYS 47 1HZ LYS 47 -9.376 -10.053 2.478 368 2HZ LYS 47 2HZ LYS 47 -7.853 -10.078 2.044 369 3HZ LYS 47 3HZ LYS 47 -8.231 -10.305 3.640 370 H TYR 48 H TYR 48 -3.563 -8.621 -2.088 371 HA TYR 48 HA TYR 48 -4.477 -7.562 -4.718 372 1HB TYR 48 2HB TYR 48 -2.219 -7.134 -5.373 373 2HB TYR 48 3HB TYR 48 -2.524 -6.258 -3.878 374 HD1 TYR 48 HD1 TYR 48 -0.615 -8.959 -5.489 375 HD2 TYR 48 HD2 TYR 48 -1.487 -7.032 -1.744 376 HE1 TYR 48 HE1 TYR 48 1.425 -9.960 -4.504 377 HE2 TYR 48 HE2 TYR 48 0.545 -8.032 -0.756 378 HH TYR 48 HH TYR 48 2.260 -9.534 -1.058 379 H ASP 49 H ASP 49 -4.041 -8.952 -6.516 380 HA ASP 49 HA ASP 49 -3.878 -11.788 -5.715 381 1HB ASP 49 2HB ASP 49 -5.569 -11.125 -7.321 382 2HB ASP 49 3HB ASP 49 -4.328 -10.549 -8.435 383 HA PRO 50 HA PRO 50 0.568 -11.242 -6.439 384 1HB PRO 50 2HB PRO 50 1.401 -13.844 -6.079 385 2HB PRO 50 3HB PRO 50 1.082 -12.673 -4.767 386 1HG PRO 50 2HG PRO 50 -0.717 -14.850 -5.801 387 2HG PRO 50 3HG PRO 50 -0.421 -14.358 -4.103 388 1HD PRO 50 2HD PRO 50 -2.617 -13.590 -5.536 389 2HD PRO 50 3HD PRO 50 -1.895 -12.535 -4.288 390 H GLU 51 H GLU 51 -1.636 -13.428 -8.200 391 HA GLU 51 HA GLU 51 0.415 -14.160 -10.166 392 1HB GLU 51 2HB GLU 51 -2.578 -14.589 -10.303 393 2HB GLU 51 3HB GLU 51 -1.305 -15.475 -11.155 394 1HG GLU 51 2HG GLU 51 -1.857 -15.591 -8.146 395 2HG GLU 51 3HG GLU 51 -2.124 -16.872 -9.351 396 H ILE 52 H ILE 52 0.285 -11.401 -10.058 397 HA ILE 52 HA ILE 52 -0.139 -10.572 -12.666 398 HB ILE 52 HB ILE 52 -2.508 -10.730 -12.446 399 1HG1 ILE 52 2HG1 ILE 52 -3.318 -8.456 -12.705 400 2HG1 ILE 52 3HG1 ILE 52 -1.810 -7.795 -12.070 401 1HG2 ILE 52 1HG2 ILE 52 -2.713 -10.861 -10.021 402 2HG2 ILE 52 2HG2 ILE 52 -2.350 -9.125 -9.878 403 3HG2 ILE 52 3HG2 ILE 52 -3.825 -9.676 -10.702 404 1HD1 ILE 52 1HD1 ILE 52 -2.071 -9.560 -14.552 405 2HD1 ILE 52 2HD1 ILE 52 -1.909 -7.788 -14.562 406 3HD1 ILE 52 3HD1 ILE 52 -0.574 -8.796 -13.979 407 H ILE 53 H ILE 53 -0.134 -9.504 -9.181 408 HA ILE 53 HA ILE 53 1.930 -7.560 -9.987 409 HB ILE 53 HB ILE 53 -0.395 -6.493 -9.707 410 1HG1 ILE 53 2HG1 ILE 53 1.715 -5.309 -7.936 411 2HG1 ILE 53 3HG1 ILE 53 1.905 -5.359 -9.702 412 1HG2 ILE 53 1HG2 ILE 53 -1.111 -5.907 -7.455 413 2HG2 ILE 53 2HG2 ILE 53 -0.969 -7.667 -7.531 414 3HG2 ILE 53 3HG2 ILE 53 0.295 -6.683 -6.733 415 1HD1 ILE 53 1HD1 ILE 53 -0.237 -4.123 -9.950 416 2HD1 ILE 53 2HD1 ILE 53 -0.323 -3.948 -8.180 417 3HD1 ILE 53 3HD1 ILE 53 1.013 -3.211 -9.077 418 H GLY 54 H GLY 54 3.686 -7.860 -8.846 419 1HA GLY 54 2HA GLY 54 3.750 -9.725 -6.574 420 2HA GLY 54 1HA GLY 54 5.106 -8.826 -7.277 421 HA PRO 55 HA PRO 55 3.597 -6.723 -3.300 422 1HB PRO 55 2HB PRO 55 5.834 -7.181 -1.734 423 2HB PRO 55 3HB PRO 55 4.397 -8.232 -1.778 424 1HG PRO 55 2HG PRO 55 7.011 -8.624 -3.238 425 2HG PRO 55 3HG PRO 55 6.035 -9.834 -2.369 426 1HD PRO 55 2HD PRO 55 5.930 -9.562 -5.090 427 2HD PRO 55 3HD PRO 55 4.482 -9.996 -4.137 428 H ARG 56 H ARG 56 6.997 -6.977 -4.480 429 HA ARG 56 HA ARG 56 7.859 -4.442 -3.747 430 1HB ARG 56 2HB ARG 56 9.422 -6.121 -4.510 431 2HB ARG 56 3HB ARG 56 8.719 -6.113 -6.147 432 1HG ARG 56 2HG ARG 56 9.404 -3.834 -6.527 433 2HG ARG 56 3HG ARG 56 9.852 -3.614 -4.826 434 1HD ARG 56 2HD ARG 56 11.738 -5.134 -5.102 435 2HD ARG 56 3HD ARG 56 11.276 -5.440 -6.802 436 HE ARG 56 HE ARG 56 11.355 -2.730 -6.757 437 1HH1 ARG 56 2HH2 ARG 56 13.850 -5.026 -5.794 438 2HH1 ARG 56 1HH2 ARG 56 15.126 -3.841 -5.818 439 1HH2 ARG 56 2HH1 ARG 56 12.837 -1.238 -6.755 440 2HH2 ARG 56 1HH1 ARG 56 14.536 -1.538 -6.418 441 H ASP 57 H ASP 57 6.274 -5.443 -6.784 442 HA ASP 57 HA ASP 57 6.201 -3.225 -8.313 443 1HB ASP 57 2HB ASP 57 3.748 -4.876 -7.725 444 2HB ASP 57 3HB ASP 57 4.191 -4.143 -9.264 445 H ILE 58 H ILE 58 3.988 -3.967 -5.581 446 HA ILE 58 HA ILE 58 2.582 -1.417 -5.738 447 HB ILE 58 HB ILE 58 2.580 -3.730 -3.776 448 1HG1 ILE 58 2HG1 ILE 58 0.434 -2.455 -5.543 449 2HG1 ILE 58 3HG1 ILE 58 1.436 -3.834 -6.022 450 1HG2 ILE 58 1HG2 ILE 58 2.311 -1.824 -2.316 451 2HG2 ILE 58 2HG2 ILE 58 1.222 -1.035 -3.476 452 3HG2 ILE 58 3HG2 ILE 58 0.709 -2.480 -2.590 453 1HD1 ILE 58 1HD1 ILE 58 -0.638 -4.713 -5.299 454 2HD1 ILE 58 2HD1 ILE 58 0.552 -5.106 -4.044 455 3HD1 ILE 58 3HD1 ILE 58 -0.619 -3.778 -3.800 456 H ILE 59 H ILE 59 5.174 -2.764 -3.620 457 HA ILE 59 HA ILE 59 5.404 -0.556 -1.906 458 HB ILE 59 HB ILE 59 7.650 -2.301 -2.982 459 1HG1 ILE 59 2HG1 ILE 59 5.981 -3.723 -1.901 460 2HG1 ILE 59 3HG1 ILE 59 7.421 -3.600 -0.914 461 1HG2 ILE 59 1HG2 ILE 59 8.605 -0.374 -2.012 462 2HG2 ILE 59 2HG2 ILE 59 7.497 -0.432 -0.625 463 3HG2 ILE 59 3HG2 ILE 59 8.759 -1.677 -0.827 464 1HD1 ILE 59 1HD1 ILE 59 4.778 -2.148 -0.439 465 2HD1 ILE 59 2HD1 ILE 59 5.425 -3.534 0.446 466 3HD1 ILE 59 3HD1 ILE 59 6.239 -1.966 0.568 467 H HIS 60 H HIS 60 6.965 -1.006 -5.078 468 HA HIS 60 HA HIS 60 8.414 1.337 -5.404 469 1HB HIS 60 2HB HIS 60 6.903 -0.456 -7.267 470 2HB HIS 60 3HB HIS 60 7.420 1.117 -7.858 471 HD1 HIS 60 1HD HIS 60 9.140 0.087 -9.527 472 HD2 HIS 60 2HD HIS 60 9.791 -0.787 -5.462 473 HE1 HIS 60 1HE HIS 60 11.498 -0.872 -9.357 474 H THR 61 H THR 61 4.813 0.957 -5.710 475 HA THR 61 HA THR 61 4.394 3.594 -6.747 476 HB THR 61 HB THR 61 2.512 1.905 -5.026 477 HG1 THR 61 1HG THR 61 1.721 1.292 -7.119 478 1HG2 THR 61 1HG2 THR 61 0.751 3.189 -6.074 479 2HG2 THR 61 2HG2 THR 61 1.888 4.299 -5.331 480 3HG2 THR 61 3HG2 THR 61 1.930 4.063 -7.088 481 H ILE 62 H ILE 62 4.327 2.178 -3.462 482 HA ILE 62 HA ILE 62 3.507 4.568 -2.127 483 HB ILE 62 HB ILE 62 4.588 1.870 -1.369 484 1HG1 ILE 62 2HG1 ILE 62 2.577 1.885 0.067 485 2HG1 ILE 62 3HG1 ILE 62 2.241 3.561 -0.380 486 1HG2 ILE 62 1HG2 ILE 62 5.923 3.278 0.149 487 2HG2 ILE 62 2HG2 ILE 62 4.460 4.211 0.554 488 3HG2 ILE 62 3HG2 ILE 62 4.609 2.509 1.036 489 1HD1 ILE 62 1HD1 ILE 62 2.293 1.207 -2.324 490 2HD1 ILE 62 2HD1 ILE 62 0.837 1.888 -1.573 491 3HD1 ILE 62 3HD1 ILE 62 1.779 2.873 -2.698 492 H GLU 63 H GLU 63 6.796 3.112 -2.509 493 HA GLU 63 HA GLU 63 8.021 5.253 -1.098 494 1HB GLU 63 2HB GLU 63 10.144 4.406 -1.894 495 2HB GLU 63 3HB GLU 63 9.084 3.121 -1.315 496 1HG GLU 63 2HG GLU 63 8.460 2.698 -3.736 497 2HG GLU 63 3HG GLU 63 9.764 3.796 -4.207 498 H SER 64 H SER 64 7.571 4.742 -4.616 499 HA SER 64 HA SER 64 8.849 7.071 -5.523 500 1HB SER 64 2HB SER 64 8.097 5.208 -6.947 501 2HB SER 64 3HB SER 64 6.402 5.683 -6.691 502 HG SER 64 HG SER 64 7.343 6.505 -8.650 503 H LEU 65 H LEU 65 5.384 6.662 -4.568 504 HA LEU 65 HA LEU 65 4.501 9.193 -5.317 505 1HB LEU 65 2HB LEU 65 3.677 7.292 -3.106 506 2HB LEU 65 3HB LEU 65 2.826 8.807 -3.338 507 HG LEU 65 HG LEU 65 3.069 6.682 -5.503 508 1HD1 LEU 65 1HD1 LEU 65 0.722 6.203 -4.853 509 2HD1 LEU 65 2HD1 LEU 65 1.835 5.905 -3.506 510 3HD1 LEU 65 3HD1 LEU 65 0.841 7.380 -3.534 511 1HD2 LEU 65 1HD2 LEU 65 1.237 9.099 -5.372 512 2HD2 LEU 65 2HD2 LEU 65 2.643 8.927 -6.448 513 3HD2 LEU 65 3HD2 LEU 65 1.264 7.839 -6.610 514 H GLY 66 H GLY 66 5.541 8.291 -1.968 515 1HA GLY 66 2HA GLY 66 6.817 10.895 -1.710 516 2HA GLY 66 1HA GLY 66 5.310 10.812 -0.792 517 H PHE 67 H PHE 67 6.954 7.698 -0.732 518 HA PHE 67 HA PHE 67 6.985 8.400 2.185 519 1HB PHE 67 2HB PHE 67 5.525 6.175 0.762 520 2HB PHE 67 3HB PHE 67 5.393 6.584 2.467 521 HD1 PHE 67 1HD PHE 67 4.951 9.292 2.790 522 HD2 PHE 67 2HD PHE 67 3.624 6.879 -0.522 523 HE1 PHE 67 1HE PHE 67 3.340 11.049 2.163 524 HE2 PHE 67 2HE PHE 67 1.994 8.633 -1.137 525 HZ PHE 67 HZ PHE 67 1.830 10.721 0.226 526 H GLU 68 H GLU 68 7.296 6.380 3.533 527 HA GLU 68 HA GLU 68 9.794 4.953 2.637 528 1HB GLU 68 2HB GLU 68 9.116 6.192 5.323 529 2HB GLU 68 3HB GLU 68 10.492 5.122 5.007 530 1HG GLU 68 2HG GLU 68 11.426 6.837 3.469 531 2HG GLU 68 3HG GLU 68 10.042 7.898 3.824 532 H ALA 69 H ALA 69 8.953 2.901 2.288 533 HA ALA 69 HA ALA 69 6.810 1.940 4.014 534 1HB ALA 69 1HB ALA 69 6.803 -0.023 2.509 535 2HB ALA 69 2HB ALA 69 6.775 1.488 1.579 536 3HB ALA 69 3HB ALA 69 8.286 0.567 1.726 537 H SER 70 H SER 70 6.889 -0.051 5.225 538 HA SER 70 HA SER 70 9.371 -1.576 5.359 539 1HB SER 70 2HB SER 70 9.790 0.059 7.162 540 2HB SER 70 3HB SER 70 8.214 -0.316 7.892 541 HG SER 70 HG SER 70 8.973 -2.458 8.265 542 H LEU 71 H LEU 71 8.782 -3.719 5.523 543 HA LEU 71 HA LEU 71 6.047 -4.610 5.957 544 1HB LEU 71 2HB LEU 71 8.769 -5.961 6.238 545 2HB LEU 71 3HB LEU 71 7.241 -6.824 6.414 546 HG LEU 71 HG LEU 71 7.933 -5.315 3.858 547 1HD1 LEU 71 1HD1 LEU 71 8.676 -7.487 2.942 548 2HD1 LEU 71 2HD1 LEU 71 9.715 -6.959 4.276 549 3HD1 LEU 71 3HD1 LEU 71 8.501 -8.230 4.546 550 1HD2 LEU 71 1HD2 LEU 71 6.297 -6.888 2.872 551 2HD2 LEU 71 2HD2 LEU 71 6.031 -7.634 4.460 552 3HD2 LEU 71 3HD2 LEU 71 5.543 -5.954 4.169 553 H VAL 72 H VAL 72 5.285 -5.669 7.822 554 HA VAL 72 HA VAL 72 6.790 -5.437 10.344 555 HB VAL 72 HB VAL 72 3.902 -4.467 10.059 556 1HG1 VAL 72 1HG1 VAL 72 4.089 -3.989 12.487 557 2HG1 VAL 72 2HG1 VAL 72 4.244 -5.719 12.171 558 3HG1 VAL 72 3HG1 VAL 72 5.692 -4.750 12.517 559 1HG2 VAL 72 1HG2 VAL 72 4.850 -2.334 10.957 560 2HG2 VAL 72 2HG2 VAL 72 6.481 -2.996 10.757 561 3HG2 VAL 72 3HG2 VAL 72 5.445 -2.725 9.337 562 H LYS 73 H LYS 73 3.572 -6.407 9.075 563 HA LYS 73 HA LYS 73 2.482 -8.327 8.937 564 1HB LYS 73 2HB LYS 73 4.450 -9.166 7.766 565 2HB LYS 73 3HB LYS 73 5.166 -9.725 9.287 566 1HG LYS 73 2HG LYS 73 3.339 -11.298 9.636 567 2HG LYS 73 3HG LYS 73 2.487 -10.684 8.207 568 1HD LYS 73 2HD LYS 73 4.291 -11.486 6.741 569 2HD LYS 73 3HD LYS 73 5.310 -11.862 8.139 570 1HE LYS 73 2HE LYS 73 4.331 -13.907 7.163 571 2HE LYS 73 3HE LYS 73 3.890 -13.663 8.851 572 1HZ LYS 73 1HZ LYS 73 1.977 -14.319 7.595 573 2HZ LYS 73 2HZ LYS 73 1.743 -12.792 8.083 574 3HZ LYS 73 3HZ LYS 73 2.144 -13.072 6.531 575 H ILE 74 H ILE 74 4.914 -8.983 11.479 576 HA ILE 74 HA ILE 74 4.761 -10.147 13.363 577 HB ILE 74 HB ILE 74 4.402 -7.909 14.102 578 1HG1 ILE 74 2HG1 ILE 74 3.541 -8.228 16.303 579 2HG1 ILE 74 3HG1 ILE 74 2.672 -9.691 15.856 580 1HG2 ILE 74 1HG2 ILE 74 2.366 -7.208 13.022 581 2HG2 ILE 74 2HG2 ILE 74 1.407 -8.396 13.933 582 3HG2 ILE 74 3HG2 ILE 74 2.180 -7.035 14.763 583 1HD1 ILE 74 1HD1 ILE 74 4.786 -10.885 15.505 584 2HD1 ILE 74 2HD1 ILE 74 5.706 -9.374 15.733 585 3HD1 ILE 74 3HD1 ILE 74 4.811 -10.095 17.087 586 H GLU 75 H GLU 75 3.981 -11.853 11.772 587 HA GLU 75 HA GLU 75 2.080 -13.471 13.206 588 1HB GLU 75 2HB GLU 75 2.085 -13.283 10.182 589 2HB GLU 75 3HB GLU 75 1.075 -14.341 11.156 590 1HG GLU 75 2HG GLU 75 -0.300 -12.460 11.862 591 2HG GLU 75 3HG GLU 75 0.805 -11.298 11.116 Start of MODEL 13 1 1H MET 1 H1 MET 1 -4.820 -19.181 -4.175 2 2H MET 1 H2 MET 1 -6.189 -18.718 -3.311 3 3H MET 1 H3 MET 1 -5.122 -17.611 -3.859 4 HA MET 1 HA MET 1 -4.803 -17.875 -1.559 5 1HB MET 1 2HB MET 1 -4.045 -20.730 -2.338 6 2HB MET 1 3HB MET 1 -3.752 -19.990 -0.761 7 1HG MET 1 2HG MET 1 -6.186 -19.708 -0.429 8 2HG MET 1 3HG MET 1 -6.493 -20.475 -1.997 9 1HE MET 1 1HE MET 1 -7.763 -23.179 0.494 10 2HE MET 1 2HE MET 1 -7.893 -21.414 0.675 11 3HE MET 1 3HE MET 1 -8.165 -22.173 -0.914 12 H GLY 2 H GLY 2 -2.944 -16.773 -1.217 13 1HA GLY 2 2HA GLY 2 -0.378 -16.738 -1.589 14 2HA GLY 2 1HA GLY 2 -0.828 -16.821 -3.311 15 H ASP 3 H ASP 3 -2.922 -15.459 -3.696 16 HA ASP 3 HA ASP 3 -3.233 -12.786 -2.714 17 1HB ASP 3 2HB ASP 3 -5.679 -13.395 -3.168 18 2HB ASP 3 3HB ASP 3 -4.606 -13.598 -4.557 19 H GLY 4 H GLY 4 -4.532 -12.179 -0.960 20 1HA GLY 4 2HA GLY 4 -5.849 -13.674 0.941 21 2HA GLY 4 1HA GLY 4 -4.153 -13.769 1.460 22 H VAL 5 H VAL 5 -2.946 -11.648 1.616 23 HA VAL 5 HA VAL 5 -4.354 -9.184 1.518 24 HB VAL 5 HB VAL 5 -5.021 -10.125 3.815 25 1HG1 VAL 5 1HG1 VAL 5 -2.124 -9.555 4.558 26 2HG1 VAL 5 2HG1 VAL 5 -3.431 -10.089 5.624 27 3HG1 VAL 5 3HG1 VAL 5 -2.821 -11.182 4.368 28 1HG2 VAL 5 1HG2 VAL 5 -5.189 -7.745 3.355 29 2HG2 VAL 5 2HG2 VAL 5 -4.642 -8.052 5.020 30 3HG2 VAL 5 3HG2 VAL 5 -3.496 -7.501 3.800 31 H LEU 6 H LEU 6 -2.679 -7.394 1.898 32 HA LEU 6 HA LEU 6 -0.067 -8.397 2.699 33 1HB LEU 6 2HB LEU 6 -0.002 -7.917 0.134 34 2HB LEU 6 3HB LEU 6 -0.203 -6.220 0.592 35 HG LEU 6 HG LEU 6 1.850 -6.649 2.193 36 1HD1 LEU 6 1HD1 LEU 6 3.394 -8.414 1.364 37 2HD1 LEU 6 2HD1 LEU 6 1.905 -9.130 1.989 38 3HD1 LEU 6 3HD1 LEU 6 2.144 -8.982 0.240 39 1HD2 LEU 6 1HD2 LEU 6 1.984 -5.215 0.224 40 2HD2 LEU 6 2HD2 LEU 6 3.442 -6.210 0.352 41 3HD2 LEU 6 3HD2 LEU 6 2.178 -6.642 -0.822 42 H GLU 7 H GLU 7 0.595 -7.243 4.416 43 HA GLU 7 HA GLU 7 -0.749 -4.665 5.111 44 1HB GLU 7 2HB GLU 7 -0.222 -7.147 6.763 45 2HB GLU 7 3HB GLU 7 -0.403 -5.542 7.512 46 1HG GLU 7 2HG GLU 7 -2.533 -5.201 6.437 47 2HG GLU 7 3HG GLU 7 -2.378 -6.727 5.555 48 H LEU 8 H LEU 8 0.593 -3.062 5.593 49 HA LEU 8 HA LEU 8 3.283 -3.603 6.529 50 1HB LEU 8 2HB LEU 8 4.368 -2.293 4.696 51 2HB LEU 8 3HB LEU 8 3.783 -3.882 4.226 52 HG LEU 8 HG LEU 8 3.572 -2.298 2.483 53 1HD1 LEU 8 1HD1 LEU 8 0.736 -2.996 3.287 54 2HD1 LEU 8 2HD1 LEU 8 1.419 -2.794 1.677 55 3HD1 LEU 8 3HD1 LEU 8 1.912 -4.178 2.665 56 1HD2 LEU 8 1HD2 LEU 8 3.213 -0.272 3.837 57 2HD2 LEU 8 2HD2 LEU 8 2.090 -0.416 2.473 58 3HD2 LEU 8 3HD2 LEU 8 1.535 -0.779 4.119 59 H VAL 9 H VAL 9 4.408 -1.667 7.188 60 HA VAL 9 HA VAL 9 2.582 0.332 8.243 61 HB VAL 9 HB VAL 9 5.345 -0.572 8.793 62 1HG1 VAL 9 1HG1 VAL 9 6.027 1.618 8.001 63 2HG1 VAL 9 2HG1 VAL 9 4.776 2.406 9.002 64 3HG1 VAL 9 3HG1 VAL 9 6.126 1.546 9.764 65 1HG2 VAL 9 1HG2 VAL 9 3.353 -0.796 10.331 66 2HG2 VAL 9 2HG2 VAL 9 4.747 0.020 11.069 67 3HG2 VAL 9 3HG2 VAL 9 3.366 0.975 10.521 68 H VAL 10 H VAL 10 2.642 2.589 7.420 69 HA VAL 10 HA VAL 10 4.338 3.112 5.080 70 HB VAL 10 HB VAL 10 1.401 3.827 5.483 71 1HG1 VAL 10 1HG1 VAL 10 2.710 5.642 4.419 72 2HG1 VAL 10 2HG1 VAL 10 3.342 4.485 3.231 73 3HG1 VAL 10 3HG1 VAL 10 1.607 4.876 3.262 74 1HG2 VAL 10 1HG2 VAL 10 2.841 2.005 3.519 75 2HG2 VAL 10 2HG2 VAL 10 1.593 1.543 4.702 76 3HG2 VAL 10 3HG2 VAL 10 1.176 2.563 3.307 77 H ARG 11 H ARG 11 5.296 5.117 5.140 78 HA ARG 11 HA ARG 11 4.532 7.020 7.296 79 1HB ARG 11 2HB ARG 11 7.448 6.714 6.690 80 2HB ARG 11 3HB ARG 11 6.652 7.306 8.139 81 1HG ARG 11 2HG ARG 11 5.960 4.930 8.665 82 2HG ARG 11 3HG ARG 11 6.888 4.404 7.243 83 1HD ARG 11 2HD ARG 11 8.921 5.603 8.327 84 2HD ARG 11 3HD ARG 11 7.940 5.709 9.774 85 HE ARG 11 HE ARG 11 8.181 3.462 10.163 86 1HH1 ARG 11 2HH2 ARG 11 9.694 4.141 6.992 87 2HH1 ARG 11 1HH2 ARG 11 9.826 2.461 6.575 88 1HH2 ARG 11 2HH1 ARG 11 8.657 1.239 9.664 89 2HH2 ARG 11 1HH1 ARG 11 9.274 0.843 8.071 90 H GLY 12 H GLY 12 5.423 9.227 6.804 91 1HA GLY 12 2HA GLY 12 6.155 10.864 5.311 92 2HA GLY 12 1HA GLY 12 6.048 9.746 3.952 93 H MET 13 H MET 13 3.201 9.059 5.279 94 HA MET 13 HA MET 13 1.661 10.821 3.607 95 1HB MET 13 2HB MET 13 0.881 8.868 5.799 96 2HB MET 13 3HB MET 13 -0.288 9.756 4.802 97 1HG MET 13 2HG MET 13 0.675 8.760 2.759 98 2HG MET 13 3HG MET 13 1.767 7.788 3.752 99 1HE MET 13 1HE MET 13 -0.510 7.099 6.195 100 2HE MET 13 2HE MET 13 -0.752 5.432 5.616 101 3HE MET 13 3HE MET 13 0.874 6.151 5.632 102 H THR 14 H THR 14 2.537 12.854 4.440 103 HA THR 14 HA THR 14 2.125 13.594 7.155 104 HB THR 14 HB THR 14 3.868 14.577 5.789 105 HG1 THR 14 1HG THR 14 1.949 16.185 7.054 106 1HG2 THR 14 1HG2 THR 14 3.361 16.419 4.223 107 2HG2 THR 14 2HG2 THR 14 2.767 14.863 3.633 108 3HG2 THR 14 3HG2 THR 14 1.630 16.047 4.322 109 H CYS 15 H CYS 15 -0.271 13.554 4.581 110 HA CYS 15 HA CYS 15 -2.216 14.574 6.457 111 1HB CYS 15 2HB CYS 15 -2.909 16.533 5.210 112 2HB CYS 15 3HB CYS 15 -1.199 16.693 5.568 113 H ALA 16 H ALA 16 -4.379 14.776 5.310 114 HA ALA 16 HA ALA 16 -5.252 12.374 4.279 115 1HB ALA 16 1HB ALA 16 -7.271 13.600 3.578 116 2HB ALA 16 2HB ALA 16 -6.728 14.103 5.193 117 3HB ALA 16 3HB ALA 16 -6.413 15.145 3.783 118 H SER 17 H SER 17 -4.090 15.242 2.463 119 HA SER 17 HA SER 17 -4.764 14.363 -0.120 120 1HB SER 17 2HB SER 17 -2.447 16.167 0.632 121 2HB SER 17 3HB SER 17 -3.342 16.110 -0.893 122 HG SER 17 HG SER 17 -5.239 16.677 0.354 123 H CYS 18 H CYS 18 -2.047 13.422 1.988 124 HA CYS 18 HA CYS 18 -0.653 11.991 -0.172 125 1HB CYS 18 2HB CYS 18 -0.406 11.712 2.840 126 2HB CYS 18 3HB CYS 18 0.627 11.010 1.597 127 H VAL 19 H VAL 19 -2.631 11.228 2.687 128 HA VAL 19 HA VAL 19 -2.711 8.497 2.578 129 HB VAL 19 HB VAL 19 -4.955 10.397 3.335 130 1HG1 VAL 19 1HG1 VAL 19 -5.787 7.988 3.055 131 2HG1 VAL 19 2HG1 VAL 19 -4.694 7.604 4.415 132 3HG1 VAL 19 3HG1 VAL 19 -6.009 8.753 4.631 133 1HG2 VAL 19 1HG2 VAL 19 -2.829 10.682 4.641 134 2HG2 VAL 19 2HG2 VAL 19 -4.139 10.033 5.638 135 3HG2 VAL 19 3HG2 VAL 19 -2.857 8.961 5.035 136 H HIS 20 H HIS 20 -5.267 10.541 1.038 137 HA HIS 20 HA HIS 20 -6.400 8.198 -0.213 138 1HB HIS 20 2HB HIS 20 -8.049 9.512 -1.076 139 2HB HIS 20 3HB HIS 20 -7.640 10.314 0.438 140 HD1 HIS 20 1HD HIS 20 -8.976 11.548 -2.378 141 HD2 HIS 20 2HD HIS 20 -5.127 12.076 -0.781 142 HE1 HIS 20 1HE HIS 20 -8.073 13.733 -3.347 143 H LYS 21 H LYS 21 -3.791 10.306 -1.155 144 HA LYS 21 HA LYS 21 -4.031 9.937 -4.019 145 1HB LYS 21 2HB LYS 21 -2.956 11.870 -3.152 146 2HB LYS 21 3HB LYS 21 -1.787 10.905 -2.229 147 1HG LYS 21 2HG LYS 21 -0.807 10.080 -4.353 148 2HG LYS 21 3HG LYS 21 -1.958 11.095 -5.257 149 1HD LYS 21 2HD LYS 21 -1.086 13.112 -4.102 150 2HD LYS 21 3HD LYS 21 0.004 12.102 -3.135 151 1HE LYS 21 2HE LYS 21 1.147 11.350 -5.229 152 2HE LYS 21 3HE LYS 21 0.105 12.428 -6.176 153 1HZ LYS 21 1HZ LYS 21 1.046 14.282 -4.952 154 2HZ LYS 21 2HZ LYS 21 2.012 13.272 -4.085 155 3HZ LYS 21 3HZ LYS 21 2.230 13.427 -5.706 156 H ILE 22 H ILE 22 -2.231 8.359 -1.316 157 HA ILE 22 HA ILE 22 -0.849 6.488 -2.966 158 HB ILE 22 HB ILE 22 -1.866 6.099 -0.127 159 1HG1 ILE 22 2HG1 ILE 22 0.750 7.060 -1.350 160 2HG1 ILE 22 3HG1 ILE 22 -0.301 7.920 -0.218 161 1HG2 ILE 22 1HG2 ILE 22 -0.204 4.216 -0.071 162 2HG2 ILE 22 2HG2 ILE 22 -1.479 3.929 -1.230 163 3HG2 ILE 22 3HG2 ILE 22 0.113 4.475 -1.800 164 1HD1 ILE 22 1HD1 ILE 22 1.493 7.200 1.115 165 2HD1 ILE 22 2HD1 ILE 22 0.246 5.971 1.420 166 3HD1 ILE 22 3HD1 ILE 22 1.595 5.626 0.326 167 H GLU 23 H GLU 23 -4.045 5.999 -1.303 168 HA GLU 23 HA GLU 23 -4.657 3.546 -2.471 169 1HB GLU 23 2HB GLU 23 -6.427 5.866 -1.605 170 2HB GLU 23 3HB GLU 23 -7.086 4.291 -2.061 171 1HG GLU 23 2HG GLU 23 -5.941 3.159 -0.284 172 2HG GLU 23 3HG GLU 23 -4.926 4.554 0.037 173 H SER 24 H SER 24 -5.543 6.786 -3.664 174 HA SER 24 HA SER 24 -6.872 6.063 -6.021 175 1HB SER 24 2HB SER 24 -6.786 8.327 -4.988 176 2HB SER 24 3HB SER 24 -5.110 8.499 -5.559 177 HG SER 24 HG SER 24 -6.703 9.430 -6.973 178 H SER 25 H SER 25 -3.349 6.210 -5.370 179 HA SER 25 HA SER 25 -2.643 6.016 -8.206 180 1HB SER 25 2HB SER 25 -1.175 7.111 -6.480 181 2HB SER 25 3HB SER 25 -0.913 5.527 -5.736 182 HG SER 25 HG SER 25 -0.280 6.292 -8.402 183 H LEU 26 H LEU 26 -2.523 3.918 -5.307 184 HA LEU 26 HA LEU 26 -1.612 1.615 -6.509 185 1HB LEU 26 2HB LEU 26 -3.456 2.050 -4.143 186 2HB LEU 26 3HB LEU 26 -2.845 0.473 -4.610 187 HG LEU 26 HG LEU 26 -1.046 2.768 -3.854 188 1HD1 LEU 26 1HD1 LEU 26 -2.486 1.969 -1.968 189 2HD1 LEU 26 2HD1 LEU 26 -1.927 0.314 -2.262 190 3HD1 LEU 26 3HD1 LEU 26 -0.777 1.552 -1.712 191 1HD2 LEU 26 1HD2 LEU 26 0.663 0.969 -3.608 192 2HD2 LEU 26 2HD2 LEU 26 -0.493 -0.212 -4.259 193 3HD2 LEU 26 3HD2 LEU 26 0.117 1.104 -5.279 194 H THR 27 H THR 27 -5.081 2.533 -6.057 195 HA THR 27 HA THR 27 -6.074 0.114 -7.088 196 HB THR 27 HB THR 27 -7.349 1.816 -5.818 197 HG1 THR 27 1HG THR 27 -8.320 0.086 -7.034 198 1HG2 THR 27 1HG2 THR 27 -7.672 3.223 -8.505 199 2HG2 THR 27 2HG2 THR 27 -8.484 3.626 -6.979 200 3HG2 THR 27 3HG2 THR 27 -6.732 3.828 -7.125 201 H LYS 28 H LYS 28 -4.405 2.578 -8.899 202 HA LYS 28 HA LYS 28 -5.649 2.032 -11.422 203 1HB LYS 28 2HB LYS 28 -4.105 3.377 -12.370 204 2HB LYS 28 3HB LYS 28 -4.240 4.045 -10.754 205 1HG LYS 28 2HG LYS 28 -2.000 4.082 -10.849 206 2HG LYS 28 3HG LYS 28 -2.059 2.369 -10.439 207 1HD LYS 28 2HD LYS 28 -1.957 1.785 -12.854 208 2HD LYS 28 3HD LYS 28 -2.037 3.507 -13.281 209 1HE LYS 28 2HE LYS 28 0.099 3.920 -12.060 210 2HE LYS 28 3HE LYS 28 0.206 2.197 -11.681 211 1HZ LYS 28 1HZ LYS 28 0.321 1.762 -14.054 212 2HZ LYS 28 2HZ LYS 28 0.231 3.372 -14.385 213 3HZ LYS 28 3HZ LYS 28 1.531 2.771 -13.583 214 H HIS 29 H HIS 29 -3.238 0.275 -9.520 215 HA HIS 29 HA HIS 29 -2.564 -1.452 -11.847 216 1HB HIS 29 2HB HIS 29 -1.837 -2.244 -9.070 217 2HB HIS 29 3HB HIS 29 -1.018 -2.531 -10.589 218 HD1 HIS 29 1HD HIS 29 0.815 -0.630 -11.249 219 HD2 HIS 29 2HD HIS 29 -1.194 -0.267 -7.607 220 HE1 HIS 29 1HE HIS 29 2.108 1.089 -9.834 221 H ARG 30 H ARG 30 -4.226 -2.786 -12.401 222 HA ARG 30 HA ARG 30 -6.511 -3.101 -10.929 223 1HB ARG 30 2HB ARG 30 -6.081 -3.606 -13.408 224 2HB ARG 30 3HB ARG 30 -5.492 -5.189 -12.900 225 1HG ARG 30 2HG ARG 30 -7.788 -5.317 -13.657 226 2HG ARG 30 3HG ARG 30 -7.736 -5.698 -11.934 227 1HD ARG 30 2HD ARG 30 -8.605 -3.521 -11.348 228 2HD ARG 30 3HD ARG 30 -8.356 -2.919 -13.005 229 HE ARG 30 HE ARG 30 -10.113 -5.163 -13.025 230 1HH1 ARG 30 2HH2 ARG 30 -10.023 -1.800 -12.003 231 2HH1 ARG 30 1HH2 ARG 30 -11.710 -1.492 -12.247 232 1HH2 ARG 30 2HH1 ARG 30 -12.386 -4.813 -13.357 233 2HH2 ARG 30 1HH1 ARG 30 -13.092 -3.269 -13.026 234 H GLY 31 H GLY 31 -3.570 -4.933 -10.547 235 1HA GLY 31 2HA GLY 31 -4.515 -7.222 -9.185 236 2HA GLY 31 1HA GLY 31 -2.908 -6.493 -9.024 237 H ILE 32 H ILE 32 -4.351 -3.854 -8.060 238 HA ILE 32 HA ILE 32 -4.453 -4.622 -5.220 239 HB ILE 32 HB ILE 32 -4.913 -1.912 -6.542 240 1HG1 ILE 32 2HG1 ILE 32 -2.661 -2.706 -7.088 241 2HG1 ILE 32 3HG1 ILE 32 -2.660 -1.326 -6.007 242 1HG2 ILE 32 1HG2 ILE 32 -4.334 -2.749 -3.673 243 2HG2 ILE 32 2HG2 ILE 32 -4.379 -1.083 -4.273 244 3HG2 ILE 32 3HG2 ILE 32 -5.849 -2.067 -4.300 245 1HD1 ILE 32 1HD1 ILE 32 -2.141 -2.718 -4.097 246 2HD1 ILE 32 2HD1 ILE 32 -2.218 -4.188 -5.103 247 3HD1 ILE 32 3HD1 ILE 32 -0.973 -2.955 -5.407 248 H LEU 33 H LEU 33 -6.273 -5.863 -4.889 249 HA LEU 33 HA LEU 33 -8.767 -5.304 -6.290 250 1HB LEU 33 2HB LEU 33 -8.363 -7.147 -3.913 251 2HB LEU 33 3HB LEU 33 -9.618 -7.214 -5.147 252 HG LEU 33 HG LEU 33 -6.645 -7.799 -5.562 253 1HD1 LEU 33 1HD1 LEU 33 -9.059 -9.644 -5.565 254 2HD1 LEU 33 2HD1 LEU 33 -7.374 -10.105 -5.895 255 3HD1 LEU 33 3HD1 LEU 33 -7.830 -9.525 -4.284 256 1HD2 LEU 33 1HD2 LEU 33 -7.326 -8.576 -7.820 257 2HD2 LEU 33 2HD2 LEU 33 -8.969 -7.962 -7.535 258 3HD2 LEU 33 3HD2 LEU 33 -7.592 -6.840 -7.625 259 H TYR 34 H TYR 34 -7.358 -4.693 -3.087 260 HA TYR 34 HA TYR 34 -9.138 -2.435 -2.847 261 1HB TYR 34 2HB TYR 34 -10.440 -4.229 -1.636 262 2HB TYR 34 3HB TYR 34 -9.046 -4.464 -0.574 263 HD1 TYR 34 HD1 TYR 34 -11.083 -1.528 -1.797 264 HD2 TYR 34 HD2 TYR 34 -9.241 -3.556 1.537 265 HE1 TYR 34 HE1 TYR 34 -11.682 0.360 -0.313 266 HE2 TYR 34 HE2 TYR 34 -9.983 -1.741 3.043 267 HH TYR 34 HH TYR 34 -11.465 1.261 1.805 268 H CYS 35 H CYS 35 -8.343 -0.936 -1.185 269 HA CYS 35 HA CYS 35 -5.763 -1.415 0.060 270 1HB CYS 35 2HB CYS 35 -4.759 0.648 -0.810 271 2HB CYS 35 3HB CYS 35 -4.981 -0.570 -2.076 272 HG CYS 35 HG CYS 35 -7.128 0.416 -3.074 273 H SER 36 H SER 36 -5.720 -0.462 1.976 274 HA SER 36 HA SER 36 -7.355 1.955 2.501 275 1HB SER 36 2HB SER 36 -8.788 0.294 3.391 276 2HB SER 36 3HB SER 36 -7.445 -0.624 4.093 277 HG SER 36 HG SER 36 -8.386 1.956 4.858 278 H VAL 37 H VAL 37 -5.651 3.340 2.840 279 HA VAL 37 HA VAL 37 -3.279 2.446 4.394 280 HB VAL 37 HB VAL 37 -2.380 4.645 3.961 281 1HG1 VAL 37 1HG1 VAL 37 -2.020 4.437 1.551 282 2HG1 VAL 37 2HG1 VAL 37 -1.838 2.888 2.377 283 3HG1 VAL 37 3HG1 VAL 37 -3.307 3.219 1.438 284 1HG2 VAL 37 1HG2 VAL 37 -3.443 6.327 2.826 285 2HG2 VAL 37 2HG2 VAL 37 -4.512 5.233 1.961 286 3HG2 VAL 37 3HG2 VAL 37 -4.864 5.607 3.634 287 H ALA 38 H ALA 38 -2.612 3.956 6.230 288 HA ALA 38 HA ALA 38 -4.444 6.046 6.871 289 1HB ALA 38 1HB ALA 38 -4.738 5.575 9.285 290 2HB ALA 38 2HB ALA 38 -5.607 4.397 8.284 291 3HB ALA 38 3HB ALA 38 -4.053 3.962 9.057 292 H LEU 39 H LEU 39 -3.299 7.720 7.823 293 HA LEU 39 HA LEU 39 -0.442 7.328 8.446 294 1HB LEU 39 2HB LEU 39 -0.229 9.640 8.636 295 2HB LEU 39 3HB LEU 39 -1.245 9.339 7.237 296 HG LEU 39 HG LEU 39 -3.244 9.825 8.910 297 1HD1 LEU 39 1HD1 LEU 39 -0.928 11.354 10.219 298 2HD1 LEU 39 2HD1 LEU 39 -2.647 11.541 10.602 299 3HD1 LEU 39 3HD1 LEU 39 -1.810 10.048 11.012 300 1HD2 LEU 39 1HD2 LEU 39 -1.394 12.050 7.943 301 2HD2 LEU 39 2HD2 LEU 39 -2.593 11.219 6.943 302 3HD2 LEU 39 3HD2 LEU 39 -3.122 12.201 8.314 303 H ALA 40 H ALA 40 -3.563 7.779 10.028 304 HA ALA 40 HA ALA 40 -2.716 8.357 12.644 305 1HB ALA 40 1HB ALA 40 -5.142 6.740 11.737 306 2HB ALA 40 2HB ALA 40 -4.924 7.497 13.328 307 3HB ALA 40 3HB ALA 40 -5.058 8.512 11.878 308 H THR 41 H THR 41 -3.098 5.248 10.982 309 HA THR 41 HA THR 41 -1.821 3.833 13.264 310 HB THR 41 HB THR 41 -3.443 2.641 10.991 311 HG1 THR 41 1HG THR 41 -5.288 2.985 12.114 312 1HG2 THR 41 1HG2 THR 41 -4.068 0.930 12.677 313 2HG2 THR 41 2HG2 THR 41 -2.322 0.976 12.408 314 3HG2 THR 41 3HG2 THR 41 -3.015 1.734 13.863 315 H ASN 42 H ASN 42 -0.634 5.410 10.912 316 HA ASN 42 HA ASN 42 0.707 5.085 9.055 317 1HB ASN 42 2HB ASN 42 2.071 4.047 11.574 318 2HB ASN 42 3HB ASN 42 2.978 4.224 10.059 319 1HD2 ASN 42 1HD2 ASN 42 2.478 6.274 8.820 320 2HD2 ASN 42 2HD2 ASN 42 2.262 7.750 9.782 321 H LYS 43 H LYS 43 -0.977 3.351 8.245 322 HA LYS 43 HA LYS 43 0.542 0.833 7.770 323 1HB LYS 43 2HB LYS 43 -1.449 -0.522 8.149 324 2HB LYS 43 3HB LYS 43 -0.915 0.284 9.584 325 1HG LYS 43 2HG LYS 43 -3.211 0.531 9.692 326 2HG LYS 43 3HG LYS 43 -2.735 2.089 8.986 327 1HD LYS 43 2HD LYS 43 -3.425 1.380 6.787 328 2HD LYS 43 3HD LYS 43 -3.605 -0.307 7.327 329 1HE LYS 43 2HE LYS 43 -5.516 0.596 8.832 330 2HE LYS 43 3HE LYS 43 -5.337 2.115 7.940 331 1HZ LYS 43 1HZ LYS 43 -6.204 -0.484 6.894 332 2HZ LYS 43 2HZ LYS 43 -6.947 0.969 6.682 333 3HZ LYS 43 3HZ LYS 43 -5.586 0.649 5.896 334 H ALA 44 H ALA 44 -0.302 -0.472 6.097 335 HA ALA 44 HA ALA 44 -2.606 0.532 4.711 336 1HB ALA 44 1HB ALA 44 -1.869 0.394 2.493 337 2HB ALA 44 2HB ALA 44 -0.609 1.315 3.324 338 3HB ALA 44 3HB ALA 44 -0.341 -0.399 2.933 339 H HIS 45 H HIS 45 -3.965 -0.966 4.261 340 HA HIS 45 HA HIS 45 -3.272 -3.900 4.383 341 1HB HIS 45 2HB HIS 45 -4.702 -3.191 6.277 342 2HB HIS 45 3HB HIS 45 -5.823 -2.428 5.144 343 HD1 HIS 45 1HD HIS 45 -5.152 -5.775 6.772 344 HD2 HIS 45 2HD HIS 45 -7.110 -4.155 3.396 345 HE1 HIS 45 1HE HIS 45 -6.915 -7.453 6.069 346 H ILE 46 H ILE 46 -2.947 -4.415 2.400 347 HA ILE 46 HA ILE 46 -4.716 -3.365 0.262 348 HB ILE 46 HB ILE 46 -1.785 -4.127 0.292 349 1HG1 ILE 46 2HG1 ILE 46 -1.628 -2.215 -1.279 350 2HG1 ILE 46 3HG1 ILE 46 -3.369 -1.967 -1.181 351 1HG2 ILE 46 1HG2 ILE 46 -3.653 -4.371 -2.100 352 2HG2 ILE 46 2HG2 ILE 46 -1.893 -4.303 -2.208 353 3HG2 ILE 46 3HG2 ILE 46 -2.649 -5.644 -1.358 354 1HD1 ILE 46 1HD1 ILE 46 -1.494 -1.820 1.215 355 2HD1 ILE 46 2HD1 ILE 46 -1.933 -0.420 0.212 356 3HD1 ILE 46 3HD1 ILE 46 -3.187 -1.261 1.130 357 H LYS 47 H LYS 47 -5.644 -4.880 -0.990 358 HA LYS 47 HA LYS 47 -5.412 -7.777 -0.230 359 1HB LYS 47 2HB LYS 47 -7.644 -5.958 -1.027 360 2HB LYS 47 3HB LYS 47 -7.795 -7.696 -1.359 361 1HG LYS 47 2HG LYS 47 -7.163 -6.609 1.419 362 2HG LYS 47 3HG LYS 47 -8.829 -6.730 0.826 363 1HD LYS 47 2HD LYS 47 -8.603 -9.121 0.423 364 2HD LYS 47 3HD LYS 47 -6.889 -9.071 0.871 365 1HE LYS 47 2HE LYS 47 -7.480 -8.381 3.169 366 2HE LYS 47 3HE LYS 47 -9.202 -8.406 2.761 367 1HZ LYS 47 1HZ LYS 47 -9.018 -10.756 2.371 368 2HZ LYS 47 2HZ LYS 47 -7.392 -10.725 2.588 369 3HZ LYS 47 3HZ LYS 47 -8.400 -10.429 3.865 370 H TYR 48 H TYR 48 -3.695 -8.095 -1.589 371 HA TYR 48 HA TYR 48 -3.749 -7.093 -4.324 372 1HB TYR 48 2HB TYR 48 -1.530 -7.646 -4.484 373 2HB TYR 48 3HB TYR 48 -1.718 -6.953 -2.887 374 HD1 TYR 48 HD1 TYR 48 -2.751 -9.758 -1.582 375 HD2 TYR 48 HD2 TYR 48 0.617 -8.558 -4.020 376 HE1 TYR 48 HE1 TYR 48 -1.486 -11.681 -0.787 377 HE2 TYR 48 HE2 TYR 48 1.881 -10.502 -3.182 378 HH TYR 48 HH TYR 48 0.333 -13.055 -1.303 379 H ASP 49 H ASP 49 -3.652 -8.315 -6.189 380 HA ASP 49 HA ASP 49 -3.873 -11.275 -6.066 381 1HB ASP 49 2HB ASP 49 -5.162 -10.233 -7.822 382 2HB ASP 49 3HB ASP 49 -3.751 -9.315 -8.374 383 HA PRO 50 HA PRO 50 0.567 -10.916 -5.606 384 1HB PRO 50 2HB PRO 50 1.332 -13.516 -5.655 385 2HB PRO 50 3HB PRO 50 0.290 -12.868 -4.353 386 1HG PRO 50 2HG PRO 50 -0.618 -14.287 -6.880 387 2HG PRO 50 3HG PRO 50 -1.029 -14.716 -5.201 388 1HD PRO 50 2HD PRO 50 -2.678 -13.167 -6.692 389 2HD PRO 50 3HD PRO 50 -2.399 -12.756 -4.970 390 H GLU 51 H GLU 51 -0.865 -12.142 -8.588 391 HA GLU 51 HA GLU 51 1.812 -12.462 -9.877 392 1HB GLU 51 2HB GLU 51 -1.006 -13.190 -10.787 393 2HB GLU 51 3HB GLU 51 0.467 -13.343 -11.760 394 1HG GLU 51 2HG GLU 51 1.441 -14.854 -10.008 395 2HG GLU 51 3HG GLU 51 -0.094 -14.772 -9.126 396 H ILE 52 H ILE 52 -1.301 -10.710 -10.066 397 HA ILE 52 HA ILE 52 -0.430 -9.007 -12.244 398 HB ILE 52 HB ILE 52 -2.661 -8.580 -10.236 399 1HG1 ILE 52 2HG1 ILE 52 -2.752 -9.788 -13.039 400 2HG1 ILE 52 3HG1 ILE 52 -2.838 -10.721 -11.546 401 1HG2 ILE 52 1HG2 ILE 52 -2.034 -6.489 -11.433 402 2HG2 ILE 52 2HG2 ILE 52 -2.151 -7.340 -12.983 403 3HG2 ILE 52 3HG2 ILE 52 -3.596 -7.065 -11.994 404 1HD1 ILE 52 1HD1 ILE 52 -4.898 -9.443 -10.888 405 2HD1 ILE 52 2HD1 ILE 52 -4.919 -8.750 -12.529 406 3HD1 ILE 52 3HD1 ILE 52 -5.059 -10.497 -12.304 407 H ILE 53 H ILE 53 -0.234 -8.793 -8.655 408 HA ILE 53 HA ILE 53 1.617 -6.506 -8.964 409 HB ILE 53 HB ILE 53 -0.933 -6.741 -7.399 410 1HG1 ILE 53 2HG1 ILE 53 -0.581 -5.161 -9.327 411 2HG1 ILE 53 3HG1 ILE 53 -1.165 -4.432 -7.830 412 1HG2 ILE 53 1HG2 ILE 53 0.481 -6.762 -5.498 413 2HG2 ILE 53 2HG2 ILE 53 1.493 -5.453 -6.137 414 3HG2 ILE 53 3HG2 ILE 53 -0.190 -5.152 -5.670 415 1HD1 ILE 53 1HD1 ILE 53 1.753 -4.351 -8.735 416 2HD1 ILE 53 2HD1 ILE 53 0.586 -3.057 -8.946 417 3HD1 ILE 53 3HD1 ILE 53 1.054 -3.532 -7.318 418 H GLY 54 H GLY 54 3.575 -7.179 -8.281 419 1HA GLY 54 2HA GLY 54 3.894 -9.574 -6.656 420 2HA GLY 54 1HA GLY 54 5.132 -8.365 -7.070 421 HA PRO 55 HA PRO 55 3.003 -7.726 -2.744 422 1HB PRO 55 2HB PRO 55 5.039 -8.608 -1.064 423 2HB PRO 55 3HB PRO 55 3.659 -9.599 -1.608 424 1HG PRO 55 2HG PRO 55 6.439 -9.514 -2.790 425 2HG PRO 55 3HG PRO 55 5.450 -10.950 -2.397 426 1HD PRO 55 2HD PRO 55 5.588 -9.990 -4.929 427 2HD PRO 55 3HD PRO 55 4.034 -10.589 -4.288 428 H ARG 56 H ARG 56 6.386 -7.402 -3.851 429 HA ARG 56 HA ARG 56 6.947 -5.059 -2.320 430 1HB ARG 56 2HB ARG 56 8.613 -6.670 -3.334 431 2HB ARG 56 3HB ARG 56 8.297 -5.894 -4.899 432 1HG ARG 56 2HG ARG 56 8.986 -3.701 -3.915 433 2HG ARG 56 3HG ARG 56 9.298 -4.480 -2.364 434 1HD ARG 56 2HD ARG 56 10.659 -5.186 -4.997 435 2HD ARG 56 3HD ARG 56 11.299 -4.029 -3.807 436 HE ARG 56 HE ARG 56 10.783 -6.460 -2.456 437 1HH1 ARG 56 2HH2 ARG 56 12.899 -5.164 -4.939 438 2HH1 ARG 56 1HH2 ARG 56 14.230 -6.242 -4.644 439 1HH2 ARG 56 2HH1 ARG 56 12.525 -7.946 -2.002 440 2HH2 ARG 56 1HH1 ARG 56 13.998 -7.872 -2.913 441 H ASP 57 H ASP 57 5.033 -5.441 -5.304 442 HA ASP 57 HA ASP 57 5.875 -2.951 -6.443 443 1HB ASP 57 2HB ASP 57 3.425 -4.641 -6.978 444 2HB ASP 57 3HB ASP 57 3.876 -3.198 -7.903 445 H ILE 58 H ILE 58 3.301 -3.715 -4.194 446 HA ILE 58 HA ILE 58 2.013 -1.175 -4.151 447 HB ILE 58 HB ILE 58 2.574 -3.222 -1.975 448 1HG1 ILE 58 2HG1 ILE 58 -0.155 -2.867 -3.027 449 2HG1 ILE 58 3HG1 ILE 58 0.985 -3.446 -4.236 450 1HG2 ILE 58 1HG2 ILE 58 2.082 -1.122 -0.848 451 2HG2 ILE 58 2HG2 ILE 58 0.655 -0.867 -1.875 452 3HG2 ILE 58 3HG2 ILE 58 0.704 -2.216 -0.717 453 1HD1 ILE 58 1HD1 ILE 58 0.487 -4.754 -1.547 454 2HD1 ILE 58 2HD1 ILE 58 -0.014 -5.351 -3.145 455 3HD1 ILE 58 3HD1 ILE 58 1.704 -5.273 -2.745 456 H ILE 59 H ILE 59 4.958 -2.369 -2.509 457 HA ILE 59 HA ILE 59 5.544 0.072 -1.114 458 HB ILE 59 HB ILE 59 7.115 -2.439 -1.732 459 1HG1 ILE 59 2HG1 ILE 59 6.359 -1.425 0.993 460 2HG1 ILE 59 3HG1 ILE 59 5.099 -2.175 0.010 461 1HG2 ILE 59 1HG2 ILE 59 8.038 0.009 -0.211 462 2HG2 ILE 59 2HG2 ILE 59 8.806 -1.593 -0.124 463 3HG2 ILE 59 3HG2 ILE 59 8.767 -0.727 -1.659 464 1HD1 ILE 59 1HD1 ILE 59 6.170 -3.807 1.474 465 2HD1 ILE 59 2HD1 ILE 59 6.398 -4.207 -0.238 466 3HD1 ILE 59 3HD1 ILE 59 7.741 -3.505 0.695 467 H HIS 60 H HIS 60 6.759 -1.356 -4.220 468 HA HIS 60 HA HIS 60 8.471 0.704 -4.999 469 1HB HIS 60 2HB HIS 60 6.541 -0.814 -6.816 470 2HB HIS 60 3HB HIS 60 7.916 0.137 -7.333 471 HD1 HIS 60 1HD HIS 60 7.454 -3.209 -7.697 472 HD2 HIS 60 2HD HIS 60 10.200 -0.933 -5.409 473 HE1 HIS 60 1HE HIS 60 9.544 -4.590 -7.469 474 H THR 61 H THR 61 4.882 0.586 -5.317 475 HA THR 61 HA THR 61 4.725 3.044 -6.773 476 HB THR 61 HB THR 61 2.614 1.669 -5.073 477 HG1 THR 61 1HG THR 61 2.031 0.987 -7.267 478 1HG2 THR 61 1HG2 THR 61 1.965 4.005 -5.533 479 2HG2 THR 61 2HG2 THR 61 2.414 3.818 -7.242 480 3HG2 THR 61 3HG2 THR 61 1.036 2.926 -6.578 481 H ILE 62 H ILE 62 4.160 2.288 -3.317 482 HA ILE 62 HA ILE 62 3.693 4.857 -2.303 483 HB ILE 62 HB ILE 62 4.963 2.342 -1.217 484 1HG1 ILE 62 2HG1 ILE 62 2.263 3.650 -0.669 485 2HG1 ILE 62 3HG1 ILE 62 2.509 2.408 -1.887 486 1HG2 ILE 62 1HG2 ILE 62 5.773 4.322 0.168 487 2HG2 ILE 62 2HG2 ILE 62 4.054 4.675 0.518 488 3HG2 ILE 62 3HG2 ILE 62 4.796 3.174 1.049 489 1HD1 ILE 62 1HD1 ILE 62 1.631 1.332 0.047 490 2HD1 ILE 62 2HD1 ILE 62 3.340 0.865 -0.065 491 3HD1 ILE 62 3HD1 ILE 62 2.817 2.090 1.114 492 H GLU 63 H GLU 63 6.858 3.210 -2.691 493 HA GLU 63 HA GLU 63 8.556 5.335 -1.896 494 1HB GLU 63 2HB GLU 63 8.922 3.020 -3.830 495 2HB GLU 63 3HB GLU 63 10.235 4.086 -3.315 496 1HG GLU 63 2HG GLU 63 9.979 3.441 -0.997 497 2HG GLU 63 3HG GLU 63 8.530 2.497 -1.342 498 H SER 64 H SER 64 7.430 4.413 -5.191 499 HA SER 64 HA SER 64 8.951 6.366 -6.509 500 1HB SER 64 2HB SER 64 7.649 5.910 -8.476 501 2HB SER 64 3HB SER 64 7.945 4.392 -7.610 502 HG SER 64 HG SER 64 5.787 4.882 -6.617 503 H LEU 65 H LEU 65 5.725 6.718 -5.007 504 HA LEU 65 HA LEU 65 5.419 9.458 -5.958 505 1HB LEU 65 2HB LEU 65 4.177 7.858 -3.689 506 2HB LEU 65 3HB LEU 65 3.869 9.584 -3.922 507 HG LEU 65 HG LEU 65 2.069 8.468 -4.825 508 1HD1 LEU 65 1HD1 LEU 65 1.929 9.289 -7.053 509 2HD1 LEU 65 2HD1 LEU 65 3.054 10.377 -6.211 510 3HD1 LEU 65 3HD1 LEU 65 3.670 9.132 -7.319 511 1HD2 LEU 65 1HD2 LEU 65 3.863 6.734 -6.541 512 2HD2 LEU 65 2HD2 LEU 65 2.902 6.242 -5.115 513 3HD2 LEU 65 3HD2 LEU 65 2.096 6.793 -6.588 514 H GLY 66 H GLY 66 5.584 8.959 -2.439 515 1HA GLY 66 2HA GLY 66 8.267 10.025 -2.254 516 2HA GLY 66 1HA GLY 66 7.045 11.259 -1.892 517 H PHE 67 H PHE 67 6.877 7.702 -1.142 518 HA PHE 67 HA PHE 67 6.634 8.477 1.751 519 1HB PHE 67 2HB PHE 67 4.909 6.605 0.142 520 2HB PHE 67 3HB PHE 67 4.639 7.076 1.822 521 HD1 PHE 67 1HD PHE 67 3.308 7.446 -1.317 522 HD2 PHE 67 2HD PHE 67 4.788 9.962 1.853 523 HE1 PHE 67 1HE PHE 67 1.821 9.281 -2.070 524 HE2 PHE 67 2HE PHE 67 3.332 11.796 1.087 525 HZ PHE 67 HZ PHE 67 1.810 11.456 -0.848 526 H GLU 68 H GLU 68 6.798 6.637 3.220 527 HA GLU 68 HA GLU 68 8.819 4.636 2.259 528 1HB GLU 68 2HB GLU 68 7.953 5.233 5.099 529 2HB GLU 68 3HB GLU 68 9.343 4.292 4.558 530 1HG GLU 68 2HG GLU 68 10.475 6.330 3.802 531 2HG GLU 68 3HG GLU 68 9.048 7.310 4.202 532 H ALA 69 H ALA 69 8.417 2.389 2.847 533 HA ALA 69 HA ALA 69 6.098 1.857 4.449 534 1HB ALA 69 1HB ALA 69 6.311 0.796 1.612 535 2HB ALA 69 2HB ALA 69 5.416 -0.103 2.862 536 3HB ALA 69 3HB ALA 69 4.912 1.528 2.430 537 H SER 70 H SER 70 6.069 -0.358 5.287 538 HA SER 70 HA SER 70 8.475 -2.006 4.882 539 1HB SER 70 2HB SER 70 7.844 -0.968 7.675 540 2HB SER 70 3HB SER 70 9.196 -2.002 7.183 541 HG SER 70 HG SER 70 9.525 0.000 5.662 542 H LEU 71 H LEU 71 7.577 -4.031 4.660 543 HA LEU 71 HA LEU 71 4.991 -4.806 5.818 544 1HB LEU 71 2HB LEU 71 5.475 -6.961 4.871 545 2HB LEU 71 3HB LEU 71 5.571 -5.676 3.681 546 HG LEU 71 HG LEU 71 8.208 -6.336 4.913 547 1HD1 LEU 71 1HD1 LEU 71 8.476 -8.447 3.671 548 2HD1 LEU 71 2HD1 LEU 71 7.219 -8.589 4.911 549 3HD1 LEU 71 3HD1 LEU 71 6.761 -8.401 3.203 550 1HD2 LEU 71 1HD2 LEU 71 7.248 -6.216 2.018 551 2HD2 LEU 71 2HD2 LEU 71 7.957 -4.857 2.912 552 3HD2 LEU 71 3HD2 LEU 71 8.932 -6.291 2.569 553 H VAL 72 H VAL 72 5.888 -3.995 7.979 554 HA VAL 72 HA VAL 72 7.463 -5.914 9.508 555 HB VAL 72 HB VAL 72 7.555 -3.547 9.956 556 1HG1 VAL 72 1HG1 VAL 72 5.158 -2.910 9.509 557 2HG1 VAL 72 2HG1 VAL 72 4.730 -3.600 11.083 558 3HG1 VAL 72 3HG1 VAL 72 5.855 -2.248 10.992 559 1HG2 VAL 72 1HG2 VAL 72 8.088 -5.156 11.737 560 2HG2 VAL 72 2HG2 VAL 72 7.456 -3.629 12.378 561 3HG2 VAL 72 3HG2 VAL 72 6.418 -5.064 12.333 562 H LYS 73 H LYS 73 6.076 -7.649 8.557 563 HA LYS 73 HA LYS 73 3.675 -8.236 10.229 564 1HB LYS 73 2HB LYS 73 3.069 -7.457 7.931 565 2HB LYS 73 3HB LYS 73 4.152 -8.674 7.251 566 1HG LYS 73 2HG LYS 73 1.979 -9.545 7.030 567 2HG LYS 73 3HG LYS 73 2.710 -10.468 8.325 568 1HD LYS 73 2HD LYS 73 1.495 -8.895 9.974 569 2HD LYS 73 3HD LYS 73 0.684 -8.193 8.560 570 1HE LYS 73 2HE LYS 73 0.062 -10.673 7.962 571 2HE LYS 73 3HE LYS 73 0.583 -11.038 9.619 572 1HZ LYS 73 1HZ LYS 73 -1.747 -10.736 9.409 573 2HZ LYS 73 2HZ LYS 73 -1.125 -9.585 10.411 574 3HZ LYS 73 3HZ LYS 73 -1.579 -9.176 8.884 575 H ILE 74 H ILE 74 3.558 -10.338 10.949 576 HA ILE 74 HA ILE 74 5.397 -12.388 9.881 577 HB ILE 74 HB ILE 74 4.668 -11.901 12.808 578 1HG1 ILE 74 2HG1 ILE 74 7.394 -11.879 11.424 579 2HG1 ILE 74 3HG1 ILE 74 6.505 -10.440 11.939 580 1HG2 ILE 74 1HG2 ILE 74 5.998 -13.939 13.279 581 2HG2 ILE 74 2HG2 ILE 74 4.634 -14.306 12.242 582 3HG2 ILE 74 3HG2 ILE 74 6.260 -14.175 11.537 583 1HD1 ILE 74 1HD1 ILE 74 8.139 -10.862 13.600 584 2HD1 ILE 74 2HD1 ILE 74 6.558 -11.265 14.295 585 3HD1 ILE 74 3HD1 ILE 74 7.668 -12.557 13.770 586 H GLU 75 H GLU 75 4.147 -14.104 9.245 587 HA GLU 75 HA GLU 75 2.320 -15.140 8.471 588 1HB GLU 75 2HB GLU 75 1.273 -14.649 11.286 589 2HB GLU 75 3HB GLU 75 0.557 -15.749 10.104 590 1HG GLU 75 2HG GLU 75 2.629 -17.079 10.009 591 2HG GLU 75 3HG GLU 75 3.422 -15.982 11.147 Start of MODEL 14 1 1H MET 1 H1 MET 1 -1.072 -17.747 -7.128 2 2H MET 1 H2 MET 1 -0.441 -19.242 -6.890 3 3H MET 1 H3 MET 1 -2.031 -19.033 -7.383 4 HA MET 1 HA MET 1 -1.716 -19.620 -4.974 5 1HB MET 1 2HB MET 1 -1.035 -16.638 -5.066 6 2HB MET 1 3HB MET 1 -1.497 -17.496 -3.589 7 1HG MET 1 2HG MET 1 0.964 -18.148 -5.230 8 2HG MET 1 3HG MET 1 0.901 -17.217 -3.732 9 1HE MET 1 1HE MET 1 2.720 -18.705 -2.576 10 2HE MET 1 2HE MET 1 2.636 -20.480 -2.503 11 3HE MET 1 3HE MET 1 2.865 -19.667 -4.070 12 H GLY 2 H GLY 2 -3.432 -17.554 -3.649 13 1HA GLY 2 2HA GLY 2 -5.562 -16.923 -5.480 14 2HA GLY 2 1HA GLY 2 -5.974 -18.193 -4.292 15 H ASP 3 H ASP 3 -7.053 -15.489 -4.325 16 HA ASP 3 HA ASP 3 -7.259 -13.542 -3.222 17 1HB ASP 3 2HB ASP 3 -7.835 -15.103 -1.352 18 2HB ASP 3 3HB ASP 3 -6.164 -15.011 -0.788 19 H GLY 4 H GLY 4 -5.164 -12.864 -0.981 20 1HA GLY 4 2HA GLY 4 -2.602 -12.541 -1.481 21 2HA GLY 4 1HA GLY 4 -3.238 -11.615 -2.848 22 H VAL 5 H VAL 5 -2.647 -11.603 0.537 23 HA VAL 5 HA VAL 5 -3.839 -8.903 0.779 24 HB VAL 5 HB VAL 5 -5.346 -10.463 1.874 25 1HG1 VAL 5 1HG1 VAL 5 -3.794 -12.307 2.438 26 2HG1 VAL 5 2HG1 VAL 5 -3.040 -11.283 3.683 27 3HG1 VAL 5 3HG1 VAL 5 -4.737 -11.762 3.832 28 1HG2 VAL 5 1HG2 VAL 5 -3.750 -8.848 3.908 29 2HG2 VAL 5 2HG2 VAL 5 -4.966 -8.190 2.794 30 3HG2 VAL 5 3HG2 VAL 5 -5.441 -9.364 4.038 31 H LEU 6 H LEU 6 -2.399 -7.450 1.551 32 HA LEU 6 HA LEU 6 -0.039 -8.403 3.072 33 1HB LEU 6 2HB LEU 6 0.625 -8.388 0.698 34 2HB LEU 6 3HB LEU 6 0.022 -6.735 0.512 35 HG LEU 6 HG LEU 6 1.769 -5.937 2.105 36 1HD1 LEU 6 1HD1 LEU 6 3.611 -7.564 2.677 37 2HD1 LEU 6 2HD1 LEU 6 2.105 -7.891 3.526 38 3HD1 LEU 6 3HD1 LEU 6 2.573 -8.885 2.124 39 1HD2 LEU 6 1HD2 LEU 6 3.685 -6.292 0.608 40 2HD2 LEU 6 2HD2 LEU 6 2.841 -7.642 -0.181 41 3HD2 LEU 6 3HD2 LEU 6 2.208 -5.988 -0.322 42 H GLU 7 H GLU 7 -0.183 -7.246 4.919 43 HA GLU 7 HA GLU 7 -0.890 -4.385 4.703 44 1HB GLU 7 2HB GLU 7 -1.265 -6.310 6.961 45 2HB GLU 7 3HB GLU 7 -0.613 -4.710 7.396 46 1HG GLU 7 2HG GLU 7 -2.317 -3.596 6.068 47 2HG GLU 7 3HG GLU 7 -2.996 -5.196 5.626 48 H LEU 8 H LEU 8 0.495 -2.873 4.924 49 HA LEU 8 HA LEU 8 3.171 -3.467 6.021 50 1HB LEU 8 2HB LEU 8 4.197 -2.059 4.228 51 2HB LEU 8 3HB LEU 8 3.541 -3.599 3.685 52 HG LEU 8 HG LEU 8 1.422 -2.254 2.933 53 1HD1 LEU 8 1HD1 LEU 8 1.922 0.053 2.218 54 2HD1 LEU 8 2HD1 LEU 8 1.978 -0.012 3.963 55 3HD1 LEU 8 3HD1 LEU 8 3.491 0.005 3.049 56 1HD2 LEU 8 1HD2 LEU 8 4.079 -1.875 1.562 57 2HD2 LEU 8 2HD2 LEU 8 3.049 -3.326 1.441 58 3HD2 LEU 8 3HD2 LEU 8 2.479 -1.779 0.794 59 H VAL 9 H VAL 9 4.112 -1.696 7.020 60 HA VAL 9 HA VAL 9 2.352 0.547 7.721 61 HB VAL 9 HB VAL 9 4.837 -0.650 8.803 62 1HG1 VAL 9 1HG1 VAL 9 5.752 1.474 8.210 63 2HG1 VAL 9 2HG1 VAL 9 4.399 2.332 9.011 64 3HG1 VAL 9 3HG1 VAL 9 5.533 1.324 9.950 65 1HG2 VAL 9 1HG2 VAL 9 2.505 0.927 10.032 66 2HG2 VAL 9 2HG2 VAL 9 2.585 -0.842 9.912 67 3HG2 VAL 9 3HG2 VAL 9 3.730 0.042 10.943 68 H VAL 10 H VAL 10 2.799 2.612 6.848 69 HA VAL 10 HA VAL 10 4.892 2.824 4.782 70 HB VAL 10 HB VAL 10 2.931 2.589 3.579 71 1HG1 VAL 10 1HG1 VAL 10 1.176 2.756 5.185 72 2HG1 VAL 10 2HG1 VAL 10 1.525 4.466 5.487 73 3HG1 VAL 10 3HG1 VAL 10 0.875 3.948 3.921 74 1HG2 VAL 10 1HG2 VAL 10 4.413 4.501 3.002 75 2HG2 VAL 10 2HG2 VAL 10 2.736 4.701 2.450 76 3HG2 VAL 10 3HG2 VAL 10 3.306 5.578 3.885 77 H ARG 11 H ARG 11 6.411 3.941 5.930 78 HA ARG 11 HA ARG 11 5.603 5.955 7.964 79 1HB ARG 11 2HB ARG 11 8.342 4.973 7.105 80 2HB ARG 11 3HB ARG 11 8.016 6.109 8.409 81 1HG ARG 11 2HG ARG 11 7.168 3.199 8.339 82 2HG ARG 11 3HG ARG 11 8.537 3.881 9.213 83 1HD ARG 11 2HD ARG 11 6.930 5.334 10.522 84 2HD ARG 11 3HD ARG 11 5.592 4.450 9.741 85 HE ARG 11 HE ARG 11 7.568 2.721 11.005 86 1HH1 ARG 11 2HH2 ARG 11 4.694 4.664 11.774 87 2HH1 ARG 11 1HH2 ARG 11 4.144 3.579 13.008 88 1HH2 ARG 11 2HH1 ARG 11 6.801 1.234 12.601 89 2HH2 ARG 11 1HH1 ARG 11 5.401 1.488 13.445 90 H GLY 12 H GLY 12 4.604 6.861 5.752 91 1HA GLY 12 2HA GLY 12 6.279 9.264 5.221 92 2HA GLY 12 1HA GLY 12 5.828 8.261 3.840 93 H MET 13 H MET 13 3.195 8.130 6.044 94 HA MET 13 HA MET 13 1.700 9.896 4.302 95 1HB MET 13 2HB MET 13 0.840 8.257 6.712 96 2HB MET 13 3HB MET 13 -0.229 9.166 5.616 97 1HG MET 13 2HG MET 13 0.858 7.832 3.704 98 2HG MET 13 3HG MET 13 1.500 6.768 4.956 99 1HE MET 13 1HE MET 13 -1.831 5.292 6.433 100 2HE MET 13 2HE MET 13 -0.079 5.469 6.658 101 3HE MET 13 3HE MET 13 -1.157 6.846 6.992 102 H THR 14 H THR 14 2.973 11.727 4.770 103 HA THR 14 HA THR 14 3.072 12.857 7.406 104 HB THR 14 HB THR 14 4.866 13.194 5.857 105 HG1 THR 14 1HG THR 14 3.443 15.412 6.787 106 1HG2 THR 14 1HG2 THR 14 2.879 14.694 4.104 107 2HG2 THR 14 2HG2 THR 14 4.645 14.737 3.920 108 3HG2 THR 14 3HG2 THR 14 3.781 13.213 3.702 109 H CYS 15 H CYS 15 0.427 12.942 5.142 110 HA CYS 15 HA CYS 15 -0.998 14.566 7.015 111 1HB CYS 15 2HB CYS 15 -1.584 16.430 5.627 112 2HB CYS 15 3HB CYS 15 0.170 16.334 5.607 113 H ALA 16 H ALA 16 -3.293 14.886 6.124 114 HA ALA 16 HA ALA 16 -4.599 12.516 5.555 115 1HB ALA 16 1HB ALA 16 -5.754 14.585 6.248 116 2HB ALA 16 2HB ALA 16 -5.395 15.328 4.669 117 3HB ALA 16 3HB ALA 16 -6.474 13.927 4.761 118 H SER 17 H SER 17 -3.311 14.892 3.222 119 HA SER 17 HA SER 17 -4.491 13.932 0.918 120 1HB SER 17 2HB SER 17 -3.093 16.030 1.146 121 2HB SER 17 3HB SER 17 -1.654 15.003 0.970 122 HG SER 17 HG SER 17 -3.815 15.032 -0.877 123 H CYS 18 H CYS 18 -1.591 12.688 2.627 124 HA CYS 18 HA CYS 18 -0.651 11.032 0.535 125 1HB CYS 18 2HB CYS 18 -0.395 10.731 3.533 126 2HB CYS 18 3HB CYS 18 0.556 9.873 2.310 127 H VAL 19 H VAL 19 -3.258 10.546 2.880 128 HA VAL 19 HA VAL 19 -3.315 7.692 2.820 129 HB VAL 19 HB VAL 19 -5.540 9.720 3.372 130 1HG1 VAL 19 1HG1 VAL 19 -5.342 6.840 4.279 131 2HG1 VAL 19 2HG1 VAL 19 -6.647 7.982 4.628 132 3HG1 VAL 19 3HG1 VAL 19 -6.416 7.407 2.972 133 1HG2 VAL 19 1HG2 VAL 19 -4.952 9.305 5.751 134 2HG2 VAL 19 2HG2 VAL 19 -3.575 8.311 5.222 135 3HG2 VAL 19 3HG2 VAL 19 -3.608 10.052 4.882 136 H HIS 20 H HIS 20 -5.639 9.952 1.283 137 HA HIS 20 HA HIS 20 -6.570 7.954 -0.520 138 1HB HIS 20 2HB HIS 20 -7.976 9.526 -1.470 139 2HB HIS 20 3HB HIS 20 -7.915 9.871 0.263 140 HD1 HIS 20 1HD HIS 20 -8.304 11.806 -2.631 141 HD2 HIS 20 2HD HIS 20 -5.695 11.874 0.647 142 HE1 HIS 20 1HE HIS 20 -7.490 14.222 -2.385 143 H LYS 21 H LYS 21 -3.951 10.405 -0.834 144 HA LYS 21 HA LYS 21 -3.512 10.138 -3.612 145 1HB LYS 21 2HB LYS 21 -2.332 11.762 -2.270 146 2HB LYS 21 3HB LYS 21 -1.584 10.466 -1.315 147 1HG LYS 21 2HG LYS 21 -0.259 9.745 -3.217 148 2HG LYS 21 3HG LYS 21 -1.059 10.952 -4.260 149 1HD LYS 21 2HD LYS 21 -0.131 12.789 -2.915 150 2HD LYS 21 3HD LYS 21 0.409 11.668 -1.674 151 1HE LYS 21 2HE LYS 21 2.333 12.398 -2.925 152 2HE LYS 21 3HE LYS 21 2.076 10.671 -3.184 153 1HZ LYS 21 1HZ LYS 21 1.072 11.212 -5.308 154 2HZ LYS 21 2HZ LYS 21 1.297 12.824 -5.047 155 3HZ LYS 21 3HZ LYS 21 2.593 11.829 -5.215 156 H ILE 22 H ILE 22 -2.187 8.106 -0.889 157 HA ILE 22 HA ILE 22 -0.842 6.240 -2.559 158 HB ILE 22 HB ILE 22 -2.051 6.039 0.226 159 1HG1 ILE 22 2HG1 ILE 22 0.787 5.830 -0.807 160 2HG1 ILE 22 3HG1 ILE 22 0.011 7.383 -0.444 161 1HG2 ILE 22 1HG2 ILE 22 -0.859 3.847 0.466 162 2HG2 ILE 22 2HG2 ILE 22 -2.195 3.742 -0.662 163 3HG2 ILE 22 3HG2 ILE 22 -0.531 3.851 -1.276 164 1HD1 ILE 22 1HD1 ILE 22 -0.362 6.704 1.878 165 2HD1 ILE 22 2HD1 ILE 22 0.507 5.177 1.597 166 3HD1 ILE 22 3HD1 ILE 22 1.364 6.724 1.463 167 H GLU 23 H GLU 23 -4.084 5.875 -1.012 168 HA GLU 23 HA GLU 23 -4.530 3.452 -2.350 169 1HB GLU 23 2HB GLU 23 -5.817 3.908 -0.430 170 2HB GLU 23 3HB GLU 23 -6.549 5.370 -1.125 171 1HG GLU 23 2HG GLU 23 -7.899 4.195 -2.546 172 2HG GLU 23 3HG GLU 23 -6.774 2.826 -2.662 173 H SER 24 H SER 24 -5.754 6.681 -3.331 174 HA SER 24 HA SER 24 -6.981 5.978 -5.749 175 1HB SER 24 2HB SER 24 -7.136 8.170 -4.628 176 2HB SER 24 3HB SER 24 -5.471 8.549 -5.106 177 HG SER 24 HG SER 24 -7.065 9.383 -6.557 178 H SER 25 H SER 25 -3.477 6.541 -5.085 179 HA SER 25 HA SER 25 -2.822 6.675 -7.924 180 1HB SER 25 2HB SER 25 -1.465 7.856 -6.234 181 2HB SER 25 3HB SER 25 -1.005 6.294 -5.514 182 HG SER 25 HG SER 25 -0.206 5.782 -7.704 183 H LEU 26 H LEU 26 -2.974 4.202 -5.370 184 HA LEU 26 HA LEU 26 -1.756 2.157 -7.054 185 1HB LEU 26 2HB LEU 26 -3.000 2.262 -4.332 186 2HB LEU 26 3HB LEU 26 -3.001 0.749 -5.225 187 HG LEU 26 HG LEU 26 -0.560 0.852 -5.538 188 1HD1 LEU 26 1HD1 LEU 26 0.804 2.452 -4.252 189 2HD1 LEU 26 2HD1 LEU 26 -0.204 3.314 -5.421 190 3HD1 LEU 26 3HD1 LEU 26 -0.657 3.288 -3.703 191 1HD2 LEU 26 1HD2 LEU 26 -1.433 1.129 -2.637 192 2HD2 LEU 26 2HD2 LEU 26 -1.509 -0.357 -3.610 193 3HD2 LEU 26 3HD2 LEU 26 0.060 0.370 -3.212 194 H THR 27 H THR 27 -5.195 3.042 -6.219 195 HA THR 27 HA THR 27 -6.213 0.664 -7.174 196 HB THR 27 HB THR 27 -8.426 1.956 -7.280 197 HG1 THR 27 1HG THR 27 -8.162 3.985 -6.113 198 1HG2 THR 27 1HG2 THR 27 -6.694 1.847 -4.776 199 2HG2 THR 27 2HG2 THR 27 -8.443 2.149 -4.775 200 3HG2 THR 27 3HG2 THR 27 -7.806 0.607 -5.367 201 H LYS 28 H LYS 28 -5.152 3.324 -9.122 202 HA LYS 28 HA LYS 28 -6.499 2.787 -11.539 203 1HB LYS 28 2HB LYS 28 -4.479 3.671 -12.664 204 2HB LYS 28 3HB LYS 28 -5.111 4.669 -11.352 205 1HG LYS 28 2HG LYS 28 -3.170 4.763 -10.396 206 2HG LYS 28 3HG LYS 28 -3.158 3.018 -10.117 207 1HD LYS 28 2HD LYS 28 -2.096 2.654 -12.311 208 2HD LYS 28 3HD LYS 28 -2.135 4.411 -12.624 209 1HE LYS 28 2HE LYS 28 -0.747 4.807 -10.585 210 2HE LYS 28 3HE LYS 28 -0.706 3.067 -10.266 211 1HZ LYS 28 1HZ LYS 28 0.483 2.803 -12.351 212 2HZ LYS 28 2HZ LYS 28 0.466 4.432 -12.598 213 3HZ LYS 28 3HZ LYS 28 1.278 3.800 -11.316 214 H HIS 29 H HIS 29 -3.873 0.842 -10.002 215 HA HIS 29 HA HIS 29 -3.359 -0.748 -12.379 216 1HB HIS 29 2HB HIS 29 -3.058 -1.592 -9.487 217 2HB HIS 29 3HB HIS 29 -2.285 -2.316 -10.890 218 HD1 HIS 29 1HD HIS 29 -0.281 -0.702 -12.027 219 HD2 HIS 29 2HD HIS 29 -1.626 0.020 -8.120 220 HE1 HIS 29 1HE HIS 29 1.520 0.692 -10.835 221 H ARG 30 H ARG 30 -4.001 -3.170 -12.369 222 HA ARG 30 HA ARG 30 -6.851 -3.473 -11.456 223 1HB ARG 30 2HB ARG 30 -5.373 -4.206 -13.999 224 2HB ARG 30 3HB ARG 30 -6.555 -5.350 -13.384 225 1HG ARG 30 2HG ARG 30 -7.585 -4.021 -15.019 226 2HG ARG 30 3HG ARG 30 -8.341 -3.726 -13.462 227 1HD ARG 30 2HD ARG 30 -6.204 -1.888 -14.665 228 2HD ARG 30 3HD ARG 30 -7.895 -1.714 -15.106 229 HE ARG 30 HE ARG 30 -6.642 -0.667 -12.782 230 1HH1 ARG 30 2HH2 ARG 30 -9.705 -2.001 -13.849 231 2HH1 ARG 30 1HH2 ARG 30 -10.608 -1.462 -12.461 232 1HH2 ARG 30 2HH1 ARG 30 -7.718 -0.189 -10.796 233 2HH2 ARG 30 1HH1 ARG 30 -9.446 -0.300 -10.727 234 H GLY 31 H GLY 31 -3.646 -4.773 -11.064 235 1HA GLY 31 2HA GLY 31 -4.560 -7.378 -10.175 236 2HA GLY 31 1HA GLY 31 -2.969 -6.665 -9.907 237 H ILE 32 H ILE 32 -4.448 -4.197 -8.699 238 HA ILE 32 HA ILE 32 -4.582 -5.274 -5.983 239 HB ILE 32 HB ILE 32 -4.584 -3.202 -5.169 240 1HG1 ILE 32 2HG1 ILE 32 -6.500 -2.202 -6.075 241 2HG1 ILE 32 3HG1 ILE 32 -5.136 -1.104 -6.133 242 1HG2 ILE 32 1HG2 ILE 32 -2.827 -1.901 -6.238 243 2HG2 ILE 32 2HG2 ILE 32 -2.470 -3.636 -6.215 244 3HG2 ILE 32 3HG2 ILE 32 -3.000 -2.863 -7.716 245 1HD1 ILE 32 1HD1 ILE 32 -6.720 -1.256 -8.182 246 2HD1 ILE 32 2HD1 ILE 32 -4.967 -1.217 -8.455 247 3HD1 ILE 32 3HD1 ILE 32 -5.875 -2.741 -8.588 248 H LEU 33 H LEU 33 -6.430 -4.970 -4.632 249 HA LEU 33 HA LEU 33 -9.086 -4.829 -6.019 250 1HB LEU 33 2HB LEU 33 -8.288 -6.416 -3.566 251 2HB LEU 33 3HB LEU 33 -9.905 -6.352 -4.270 252 HG LEU 33 HG LEU 33 -7.440 -7.453 -5.709 253 1HD1 LEU 33 1HD1 LEU 33 -8.380 -9.672 -5.241 254 2HD1 LEU 33 2HD1 LEU 33 -7.977 -8.819 -3.746 255 3HD1 LEU 33 3HD1 LEU 33 -9.672 -8.934 -4.270 256 1HD2 LEU 33 1HD2 LEU 33 -9.119 -8.469 -7.231 257 2HD2 LEU 33 2HD2 LEU 33 -10.413 -7.597 -6.379 258 3HD2 LEU 33 3HD2 LEU 33 -9.171 -6.705 -7.288 259 H TYR 34 H TYR 34 -7.242 -4.141 -2.956 260 HA TYR 34 HA TYR 34 -8.764 -1.683 -2.651 261 1HB TYR 34 2HB TYR 34 -10.157 -3.610 -1.577 262 2HB TYR 34 3HB TYR 34 -8.771 -3.833 -0.491 263 HD1 TYR 34 HD1 TYR 34 -10.240 -3.613 1.433 264 HD2 TYR 34 HD2 TYR 34 -9.950 -0.385 -1.418 265 HE1 TYR 34 HE1 TYR 34 -10.871 -1.991 3.183 266 HE2 TYR 34 HE2 TYR 34 -10.429 1.228 0.351 267 HH TYR 34 HH TYR 34 -10.784 1.537 2.580 268 H CYS 35 H CYS 35 -7.642 -0.211 -1.082 269 HA CYS 35 HA CYS 35 -5.065 -1.266 0.010 270 1HB CYS 35 2HB CYS 35 -4.743 -0.026 -2.096 271 2HB CYS 35 3HB CYS 35 -5.576 1.370 -1.392 272 HG CYS 35 HG CYS 35 -3.063 1.779 -1.450 273 H SER 36 H SER 36 -6.413 -1.567 2.016 274 HA SER 36 HA SER 36 -7.901 0.684 3.013 275 1HB SER 36 2HB SER 36 -7.497 -1.425 4.996 276 2HB SER 36 3HB SER 36 -8.952 -0.825 4.234 277 HG SER 36 HG SER 36 -8.351 -2.115 2.378 278 H VAL 37 H VAL 37 -6.397 2.219 3.074 279 HA VAL 37 HA VAL 37 -4.058 2.199 4.736 280 HB VAL 37 HB VAL 37 -4.017 3.054 2.491 281 1HG1 VAL 37 1HG1 VAL 37 -6.179 4.991 3.380 282 2HG1 VAL 37 2HG1 VAL 37 -5.164 5.242 1.948 283 3HG1 VAL 37 3HG1 VAL 37 -6.226 3.850 2.042 284 1HG2 VAL 37 1HG2 VAL 37 -3.633 5.315 4.479 285 2HG2 VAL 37 2HG2 VAL 37 -2.459 4.046 4.065 286 3HG2 VAL 37 3HG2 VAL 37 -2.962 5.213 2.837 287 H ALA 38 H ALA 38 -3.630 3.259 6.716 288 HA ALA 38 HA ALA 38 -5.581 5.327 7.531 289 1HB ALA 38 1HB ALA 38 -6.475 3.230 8.511 290 2HB ALA 38 2HB ALA 38 -4.893 2.954 9.295 291 3HB ALA 38 3HB ALA 38 -5.860 4.366 9.741 292 H LEU 39 H LEU 39 -4.406 7.031 8.095 293 HA LEU 39 HA LEU 39 -1.789 7.234 9.167 294 1HB LEU 39 2HB LEU 39 -4.377 8.755 9.690 295 2HB LEU 39 3HB LEU 39 -2.842 9.228 10.420 296 HG LEU 39 HG LEU 39 -3.125 8.954 7.416 297 1HD1 LEU 39 1HD1 LEU 39 -3.509 11.407 7.363 298 2HD1 LEU 39 2HD1 LEU 39 -4.845 10.554 8.157 299 3HD1 LEU 39 3HD1 LEU 39 -3.638 11.423 9.133 300 1HD2 LEU 39 1HD2 LEU 39 -1.236 10.577 9.184 301 2HD2 LEU 39 2HD2 LEU 39 -0.809 9.090 8.316 302 3HD2 LEU 39 3HD2 LEU 39 -1.245 10.549 7.412 303 H ALA 40 H ALA 40 -4.921 6.520 10.704 304 HA ALA 40 HA ALA 40 -4.272 6.525 13.353 305 1HB ALA 40 1HB ALA 40 -6.129 5.006 13.707 306 2HB ALA 40 2HB ALA 40 -6.541 6.148 12.414 307 3HB ALA 40 3HB ALA 40 -6.078 4.473 12.019 308 H THR 41 H THR 41 -3.096 4.100 11.037 309 HA THR 41 HA THR 41 -1.405 3.163 13.241 310 HB THR 41 HB THR 41 -3.312 1.637 13.240 311 HG1 THR 41 1HG THR 41 -0.763 0.655 12.468 312 1HG2 THR 41 1HG2 THR 41 -3.874 1.563 10.874 313 2HG2 THR 41 2HG2 THR 41 -2.371 0.631 10.591 314 3HG2 THR 41 3HG2 THR 41 -3.651 -0.039 11.610 315 H ASN 42 H ASN 42 -1.141 4.859 10.883 316 HA ASN 42 HA ASN 42 0.086 5.180 8.979 317 1HB ASN 42 2HB ASN 42 2.253 3.812 10.613 318 2HB ASN 42 3HB ASN 42 2.456 5.091 9.399 319 1HD2 ASN 42 1HD2 ASN 42 0.509 6.919 10.107 320 2HD2 ASN 42 2HD2 ASN 42 0.552 7.330 11.794 321 H LYS 43 H LYS 43 -1.410 3.016 8.280 322 HA LYS 43 HA LYS 43 0.566 1.242 6.957 323 1HB LYS 43 2HB LYS 43 -0.044 -0.643 8.032 324 2HB LYS 43 3HB LYS 43 -0.654 0.401 9.259 325 1HG LYS 43 2HG LYS 43 -2.155 -1.139 7.122 326 2HG LYS 43 3HG LYS 43 -2.261 -1.240 8.864 327 1HD LYS 43 2HD LYS 43 -3.154 1.292 8.638 328 2HD LYS 43 3HD LYS 43 -3.569 0.775 7.010 329 1HE LYS 43 2HE LYS 43 -4.469 -0.755 9.465 330 2HE LYS 43 3HE LYS 43 -5.408 0.493 8.641 331 1HZ LYS 43 1HZ LYS 43 -5.962 -1.699 7.829 332 2HZ LYS 43 2HZ LYS 43 -5.183 -0.902 6.600 333 3HZ LYS 43 3HZ LYS 43 -4.404 -2.054 7.540 334 H ALA 44 H ALA 44 -0.390 -0.237 5.422 335 HA ALA 44 HA ALA 44 -3.013 0.510 4.361 336 1HB ALA 44 1HB ALA 44 -0.552 0.405 2.586 337 2HB ALA 44 2HB ALA 44 -2.247 0.599 2.069 338 3HB ALA 44 3HB ALA 44 -1.455 1.881 3.021 339 H HIS 45 H HIS 45 -4.181 -1.123 3.979 340 HA HIS 45 HA HIS 45 -3.045 -3.864 3.945 341 1HB HIS 45 2HB HIS 45 -4.766 -3.265 5.660 342 2HB HIS 45 3HB HIS 45 -5.831 -2.760 4.376 343 HD1 HIS 45 1HD HIS 45 -5.135 -5.746 6.448 344 HD2 HIS 45 2HD HIS 45 -6.675 -4.772 2.649 345 HE1 HIS 45 1HE HIS 45 -6.568 -7.719 5.713 346 H ILE 46 H ILE 46 -2.389 -4.222 1.901 347 HA ILE 46 HA ILE 46 -4.099 -3.366 -0.341 348 HB ILE 46 HB ILE 46 -1.301 -4.503 -0.258 349 1HG1 ILE 46 2HG1 ILE 46 -0.874 -2.370 -1.553 350 2HG1 ILE 46 3HG1 ILE 46 -2.517 -1.850 -1.208 351 1HG2 ILE 46 1HG2 ILE 46 -3.175 -3.965 -2.607 352 2HG2 ILE 46 2HG2 ILE 46 -1.427 -4.219 -2.761 353 3HG2 ILE 46 3HG2 ILE 46 -2.440 -5.514 -2.139 354 1HD1 ILE 46 1HD1 ILE 46 -2.012 -1.639 1.144 355 2HD1 ILE 46 2HD1 ILE 46 -0.465 -2.507 0.956 356 3HD1 ILE 46 3HD1 ILE 46 -0.684 -0.888 0.257 357 H LYS 47 H LYS 47 -5.725 -4.688 -0.735 358 HA LYS 47 HA LYS 47 -5.357 -7.652 -0.651 359 1HB LYS 47 2HB LYS 47 -7.762 -5.839 -0.860 360 2HB LYS 47 3HB LYS 47 -7.813 -7.422 -1.634 361 1HG LYS 47 2HG LYS 47 -7.010 -7.181 1.271 362 2HG LYS 47 3HG LYS 47 -8.709 -7.224 0.771 363 1HD LYS 47 2HD LYS 47 -8.278 -9.353 -0.501 364 2HD LYS 47 3HD LYS 47 -6.624 -9.367 0.123 365 1HE LYS 47 2HE LYS 47 -7.534 -9.446 2.454 366 2HE LYS 47 3HE LYS 47 -9.179 -9.462 1.797 367 1HZ LYS 47 1HZ LYS 47 -8.623 -11.584 0.673 368 2HZ LYS 47 2HZ LYS 47 -7.152 -11.563 1.220 369 3HZ LYS 47 3HZ LYS 47 -8.389 -11.706 2.299 370 H TYR 48 H TYR 48 -4.975 -8.664 -2.621 371 HA TYR 48 HA TYR 48 -5.209 -7.298 -5.152 372 1HB TYR 48 2HB TYR 48 -2.864 -7.116 -5.626 373 2HB TYR 48 3HB TYR 48 -3.172 -6.205 -4.171 374 HD1 TYR 48 HD1 TYR 48 -0.763 -8.113 -5.655 375 HD2 TYR 48 HD2 TYR 48 -2.872 -7.907 -1.892 376 HE1 TYR 48 HE1 TYR 48 1.195 -9.040 -4.482 377 HE2 TYR 48 HE2 TYR 48 -1.028 -9.080 -0.800 378 HH TYR 48 HH TYR 48 1.109 -9.904 -1.012 379 H ASP 49 H ASP 49 -3.999 -8.692 -6.836 380 HA ASP 49 HA ASP 49 -3.961 -11.578 -6.078 381 1HB ASP 49 2HB ASP 49 -5.506 -11.207 -7.845 382 2HB ASP 49 3HB ASP 49 -4.340 -10.224 -8.753 383 HA PRO 50 HA PRO 50 0.377 -10.523 -6.085 384 1HB PRO 50 2HB PRO 50 1.505 -12.910 -5.470 385 2HB PRO 50 3HB PRO 50 0.442 -12.040 -4.325 386 1HG PRO 50 2HG PRO 50 -0.352 -14.255 -6.248 387 2HG PRO 50 3HG PRO 50 -0.657 -14.186 -4.484 388 1HD PRO 50 2HD PRO 50 -2.531 -13.392 -6.283 389 2HD PRO 50 3HD PRO 50 -2.289 -12.494 -4.753 390 H GLU 51 H GLU 51 -1.060 -12.352 -8.594 391 HA GLU 51 HA GLU 51 1.526 -12.726 -10.042 392 1HB GLU 51 2HB GLU 51 -1.145 -14.165 -10.079 393 2HB GLU 51 3HB GLU 51 0.070 -14.376 -11.350 394 1HG GLU 51 2HG GLU 51 1.592 -15.439 -9.947 395 2HG GLU 51 3HG GLU 51 1.030 -14.612 -8.500 396 H ILE 52 H ILE 52 -1.777 -11.358 -10.178 397 HA ILE 52 HA ILE 52 -1.295 -10.027 -12.745 398 HB ILE 52 HB ILE 52 -3.331 -9.374 -10.602 399 1HG1 ILE 52 2HG1 ILE 52 -3.569 -11.050 -13.146 400 2HG1 ILE 52 3HG1 ILE 52 -3.502 -11.709 -11.511 401 1HG2 ILE 52 1HG2 ILE 52 -2.942 -7.502 -12.235 402 2HG2 ILE 52 2HG2 ILE 52 -3.212 -8.631 -13.571 403 3HG2 ILE 52 3HG2 ILE 52 -4.528 -8.211 -12.458 404 1HD1 ILE 52 1HD1 ILE 52 -5.786 -11.718 -12.132 405 2HD1 ILE 52 2HD1 ILE 52 -5.593 -10.415 -10.946 406 3HD1 ILE 52 3HD1 ILE 52 -5.751 -10.038 -12.679 407 H ILE 53 H ILE 53 -0.579 -9.167 -9.319 408 HA ILE 53 HA ILE 53 1.258 -7.268 -10.513 409 HB ILE 53 HB ILE 53 -0.888 -5.999 -9.881 410 1HG1 ILE 53 2HG1 ILE 53 1.753 -5.157 -8.757 411 2HG1 ILE 53 3HG1 ILE 53 1.252 -5.036 -10.454 412 1HG2 ILE 53 1HG2 ILE 53 -1.228 -5.359 -7.579 413 2HG2 ILE 53 2HG2 ILE 53 -1.209 -7.120 -7.650 414 3HG2 ILE 53 3HG2 ILE 53 0.222 -6.232 -7.051 415 1HD1 ILE 53 1HD1 ILE 53 0.043 -3.546 -8.095 416 2HD1 ILE 53 2HD1 ILE 53 0.928 -2.875 -9.476 417 3HD1 ILE 53 3HD1 ILE 53 -0.673 -3.616 -9.732 418 H GLY 54 H GLY 54 3.176 -7.344 -9.544 419 1HA GLY 54 2HA GLY 54 3.613 -9.691 -7.895 420 2HA GLY 54 1HA GLY 54 4.826 -8.575 -8.539 421 HA PRO 55 HA PRO 55 4.034 -8.075 -3.918 422 1HB PRO 55 2HB PRO 55 6.513 -8.785 -2.934 423 2HB PRO 55 3HB PRO 55 5.178 -9.926 -3.246 424 1HG PRO 55 2HG PRO 55 7.539 -9.324 -5.041 425 2HG PRO 55 3HG PRO 55 6.855 -10.914 -4.611 426 1HD PRO 55 2HD PRO 55 6.237 -9.662 -6.958 427 2HD PRO 55 3HD PRO 55 5.015 -10.621 -6.072 428 H ARG 56 H ARG 56 7.271 -7.277 -5.446 429 HA ARG 56 HA ARG 56 7.472 -4.989 -3.736 430 1HB ARG 56 2HB ARG 56 9.493 -6.063 -4.737 431 2HB ARG 56 3HB ARG 56 9.069 -5.291 -6.284 432 1HG ARG 56 2HG ARG 56 9.108 -3.049 -5.136 433 2HG ARG 56 3HG ARG 56 9.510 -3.851 -3.608 434 1HD ARG 56 2HD ARG 56 11.656 -4.526 -4.518 435 2HD ARG 56 3HD ARG 56 11.224 -3.816 -6.099 436 HE ARG 56 HE ARG 56 10.962 -1.739 -4.119 437 1HH1 ARG 56 2HH2 ARG 56 13.475 -3.722 -5.587 438 2HH1 ARG 56 1HH2 ARG 56 14.726 -2.525 -5.414 439 1HH2 ARG 56 2HH1 ARG 56 12.561 -0.125 -3.914 440 2HH2 ARG 56 1HH1 ARG 56 14.186 -0.423 -4.417 441 H ASP 57 H ASP 57 6.058 -5.408 -7.023 442 HA ASP 57 HA ASP 57 5.908 -3.035 -8.131 443 1HB ASP 57 2HB ASP 57 3.456 -4.719 -7.532 444 2HB ASP 57 3HB ASP 57 3.682 -3.643 -8.921 445 H ILE 58 H ILE 58 3.593 -3.958 -5.589 446 HA ILE 58 HA ILE 58 2.334 -1.504 -5.082 447 HB ILE 58 HB ILE 58 3.061 -3.853 -3.283 448 1HG1 ILE 58 2HG1 ILE 58 0.269 -3.210 -4.204 449 2HG1 ILE 58 3HG1 ILE 58 1.372 -3.882 -5.405 450 1HG2 ILE 58 1HG2 ILE 58 2.655 -1.987 -1.771 451 2HG2 ILE 58 2HG2 ILE 58 1.157 -1.584 -2.630 452 3HG2 ILE 58 3HG2 ILE 58 1.303 -3.110 -1.727 453 1HD1 ILE 58 1HD1 ILE 58 0.133 -5.667 -4.287 454 2HD1 ILE 58 2HD1 ILE 58 1.883 -5.799 -4.013 455 3HD1 ILE 58 3HD1 ILE 58 0.825 -5.190 -2.719 456 H ILE 59 H ILE 59 5.157 -2.913 -3.461 457 HA ILE 59 HA ILE 59 5.666 -0.865 -1.564 458 HB ILE 59 HB ILE 59 7.640 -2.768 -2.905 459 1HG1 ILE 59 2HG1 ILE 59 5.930 -4.167 -1.996 460 2HG1 ILE 59 3HG1 ILE 59 7.352 -4.245 -0.965 461 1HG2 ILE 59 1HG2 ILE 59 8.950 -2.479 -0.867 462 2HG2 ILE 59 2HG2 ILE 59 8.769 -1.019 -1.851 463 3HG2 ILE 59 3HG2 ILE 59 7.814 -1.195 -0.365 464 1HD1 ILE 59 1HD1 ILE 59 5.319 -4.149 0.372 465 2HD1 ILE 59 2HD1 ILE 59 6.238 -2.648 0.621 466 3HD1 ILE 59 3HD1 ILE 59 4.806 -2.670 -0.450 467 H HIS 60 H HIS 60 7.376 -1.513 -4.624 468 HA HIS 60 HA HIS 60 8.845 0.817 -4.870 469 1HB HIS 60 2HB HIS 60 9.548 -0.693 -6.381 470 2HB HIS 60 3HB HIS 60 7.939 -1.367 -6.638 471 HD1 HIS 60 1HD HIS 60 9.979 1.663 -7.915 472 HD2 HIS 60 2HD HIS 60 6.435 -0.494 -8.474 473 HE1 HIS 60 1HE HIS 60 8.901 2.606 -10.032 474 H THR 61 H THR 61 5.339 0.392 -5.589 475 HA THR 61 HA THR 61 5.200 2.955 -6.962 476 HB THR 61 HB THR 61 2.975 1.422 -5.555 477 HG1 THR 61 1HG THR 61 4.015 0.264 -7.249 478 1HG2 THR 61 1HG2 THR 61 1.533 2.679 -7.128 479 2HG2 THR 61 2HG2 THR 61 2.363 3.772 -6.002 480 3HG2 THR 61 3HG2 THR 61 2.937 3.614 -7.677 481 H ILE 62 H ILE 62 4.685 1.843 -3.598 482 HA ILE 62 HA ILE 62 4.126 4.414 -2.463 483 HB ILE 62 HB ILE 62 5.035 1.751 -1.363 484 1HG1 ILE 62 2HG1 ILE 62 2.511 3.340 -0.859 485 2HG1 ILE 62 3HG1 ILE 62 2.672 2.252 -2.252 486 1HG2 ILE 62 1HG2 ILE 62 4.380 4.263 0.239 487 2HG2 ILE 62 2HG2 ILE 62 4.654 2.669 0.924 488 3HG2 ILE 62 3HG2 ILE 62 5.998 3.506 0.154 489 1HD1 ILE 62 1HD1 ILE 62 1.554 1.064 -0.483 490 2HD1 ILE 62 2HD1 ILE 62 3.165 0.358 -0.721 491 3HD1 ILE 62 3HD1 ILE 62 2.852 1.432 0.662 492 H GLU 63 H GLU 63 7.246 2.643 -2.839 493 HA GLU 63 HA GLU 63 9.001 4.551 -1.760 494 1HB GLU 63 2HB GLU 63 9.458 2.881 -4.274 495 2HB GLU 63 3HB GLU 63 10.684 3.683 -3.315 496 1HG GLU 63 2HG GLU 63 10.294 2.201 -1.434 497 2HG GLU 63 3HG GLU 63 8.966 1.397 -2.268 498 H SER 64 H SER 64 7.887 4.198 -5.128 499 HA SER 64 HA SER 64 9.274 6.438 -6.129 500 1HB SER 64 2HB SER 64 8.483 4.474 -7.470 501 2HB SER 64 3HB SER 64 6.823 5.090 -7.329 502 HG SER 64 HG SER 64 7.897 7.131 -8.210 503 H LEU 65 H LEU 65 6.019 6.227 -4.683 504 HA LEU 65 HA LEU 65 5.151 8.782 -5.644 505 1HB LEU 65 2HB LEU 65 4.361 7.019 -3.318 506 2HB LEU 65 3HB LEU 65 3.638 8.622 -3.515 507 HG LEU 65 HG LEU 65 3.652 6.654 -5.823 508 1HD1 LEU 65 1HD1 LEU 65 2.619 5.488 -3.917 509 2HD1 LEU 65 2HD1 LEU 65 1.539 6.871 -3.633 510 3HD1 LEU 65 3HD1 LEU 65 1.407 5.924 -5.129 511 1HD2 LEU 65 1HD2 LEU 65 1.734 8.904 -5.065 512 2HD2 LEU 65 2HD2 LEU 65 3.059 9.081 -6.236 513 3HD2 LEU 65 3HD2 LEU 65 1.740 7.962 -6.567 514 H GLY 66 H GLY 66 5.896 8.222 -2.151 515 1HA GLY 66 2HA GLY 66 8.083 10.095 -2.261 516 2HA GLY 66 1HA GLY 66 6.651 10.852 -1.541 517 H PHE 67 H PHE 67 7.460 7.347 -1.127 518 HA PHE 67 HA PHE 67 7.412 7.972 1.809 519 1HB PHE 67 2HB PHE 67 5.796 5.894 0.388 520 2HB PHE 67 3HB PHE 67 5.586 6.443 2.044 521 HD1 PHE 67 1HD PHE 67 5.415 9.359 1.880 522 HD2 PHE 67 2HD PHE 67 3.899 6.416 -0.893 523 HE1 PHE 67 1HE PHE 67 3.522 10.833 1.352 524 HE2 PHE 67 2HE PHE 67 2.067 7.960 -1.506 525 HZ PHE 67 HZ PHE 67 1.809 10.129 -0.302 526 H GLU 68 H GLU 68 7.399 5.791 3.034 527 HA GLU 68 HA GLU 68 9.549 3.978 2.087 528 1HB GLU 68 2HB GLU 68 10.533 5.606 3.707 529 2HB GLU 68 3HB GLU 68 9.214 5.276 4.839 530 1HG GLU 68 2HG GLU 68 9.994 2.856 4.931 531 2HG GLU 68 3HG GLU 68 11.384 3.338 3.942 532 H ALA 69 H ALA 69 8.929 1.839 2.526 533 HA ALA 69 HA ALA 69 6.407 1.397 4.045 534 1HB ALA 69 1HB ALA 69 5.924 -0.450 2.487 535 2HB ALA 69 2HB ALA 69 6.054 1.083 1.602 536 3HB ALA 69 3HB ALA 69 7.400 -0.070 1.574 537 H SER 70 H SER 70 6.326 -0.545 5.279 538 HA SER 70 HA SER 70 8.513 -2.472 5.088 539 1HB SER 70 2HB SER 70 8.135 -0.780 7.588 540 2HB SER 70 3HB SER 70 8.917 -2.374 7.612 541 HG SER 70 HG SER 70 9.802 -0.482 5.740 542 H LEU 71 H LEU 71 7.742 -4.461 5.445 543 HA LEU 71 HA LEU 71 4.873 -4.866 5.857 544 1HB LEU 71 2HB LEU 71 7.229 -6.740 5.372 545 2HB LEU 71 3HB LEU 71 5.535 -7.231 5.462 546 HG LEU 71 HG LEU 71 4.971 -5.912 3.492 547 1HD1 LEU 71 1HD1 LEU 71 6.536 -4.088 3.371 548 2HD1 LEU 71 2HD1 LEU 71 7.934 -5.201 3.396 549 3HD1 LEU 71 3HD1 LEU 71 6.863 -5.125 1.990 550 1HD2 LEU 71 1HD2 LEU 71 7.393 -7.724 3.057 551 2HD2 LEU 71 2HD2 LEU 71 5.745 -8.304 3.355 552 3HD2 LEU 71 3HD2 LEU 71 6.105 -7.386 1.882 553 H VAL 72 H VAL 72 5.477 -3.743 8.158 554 HA VAL 72 HA VAL 72 6.750 -5.505 10.054 555 HB VAL 72 HB VAL 72 6.372 -3.853 11.689 556 1HG1 VAL 72 1HG1 VAL 72 7.659 -2.071 10.734 557 2HG1 VAL 72 2HG1 VAL 72 8.179 -3.581 9.969 558 3HG1 VAL 72 3HG1 VAL 72 7.098 -2.463 9.101 559 1HG2 VAL 72 1HG2 VAL 72 4.436 -2.615 9.725 560 2HG2 VAL 72 2HG2 VAL 72 4.234 -2.869 11.467 561 3HG2 VAL 72 3HG2 VAL 72 5.322 -1.612 10.908 562 H LYS 73 H LYS 73 5.411 -7.371 9.588 563 HA LYS 73 HA LYS 73 2.775 -7.657 10.552 564 1HB LYS 73 2HB LYS 73 4.074 -9.322 9.237 565 2HB LYS 73 3HB LYS 73 5.011 -9.715 10.695 566 1HG LYS 73 2HG LYS 73 3.016 -10.570 11.809 567 2HG LYS 73 3HG LYS 73 1.968 -9.883 10.567 568 1HD LYS 73 2HD LYS 73 2.138 -12.270 10.246 569 2HD LYS 73 3HD LYS 73 2.855 -11.410 8.872 570 1HE LYS 73 2HE LYS 73 5.134 -11.825 9.772 571 2HE LYS 73 3HE LYS 73 4.444 -12.588 11.216 572 1HZ LYS 73 1HZ LYS 73 4.193 -13.585 8.454 573 2HZ LYS 73 2HZ LYS 73 5.188 -14.191 9.613 574 3HZ LYS 73 3HZ LYS 73 3.559 -14.308 9.792 575 H ILE 74 H ILE 74 5.775 -7.252 12.341 576 HA ILE 74 HA ILE 74 4.283 -6.963 14.841 577 HB ILE 74 HB ILE 74 6.880 -8.535 14.468 578 1HG1 ILE 74 2HG1 ILE 74 4.887 -9.929 14.019 579 2HG1 ILE 74 3HG1 ILE 74 5.818 -10.455 15.414 580 1HG2 ILE 74 1HG2 ILE 74 6.792 -8.865 16.964 581 2HG2 ILE 74 2HG2 ILE 74 7.183 -7.229 16.433 582 3HG2 ILE 74 3HG2 ILE 74 5.551 -7.593 17.027 583 1HD1 ILE 74 1HD1 ILE 74 4.172 -9.486 16.957 584 2HD1 ILE 74 2HD1 ILE 74 3.229 -8.848 15.591 585 3HD1 ILE 74 3HD1 ILE 74 3.396 -10.595 15.818 586 H GLU 75 H GLU 75 5.338 -5.315 16.137 587 HA GLU 75 HA GLU 75 7.873 -4.252 15.350 588 1HB GLU 75 2HB GLU 75 5.481 -2.416 15.944 589 2HB GLU 75 3HB GLU 75 7.185 -1.944 15.896 590 1HG GLU 75 2HG GLU 75 7.236 -2.769 13.489 591 2HG GLU 75 3HG GLU 75 5.461 -2.869 13.579 Start of MODEL 15 1 1H MET 1 H1 MET 1 -8.834 -15.223 -5.683 2 2H MET 1 H2 MET 1 -10.366 -15.883 -5.775 3 3H MET 1 H3 MET 1 -9.241 -16.442 -4.687 4 HA MET 1 HA MET 1 -9.276 -18.032 -6.385 5 1HB MET 1 2HB MET 1 -8.924 -15.597 -8.190 6 2HB MET 1 3HB MET 1 -8.543 -17.252 -8.709 7 1HG MET 1 2HG MET 1 -10.832 -17.970 -8.294 8 2HG MET 1 3HG MET 1 -11.271 -16.360 -7.698 9 1HE MET 1 1HE MET 1 -13.354 -16.378 -9.286 10 2HE MET 1 2HE MET 1 -13.249 -16.646 -11.042 11 3HE MET 1 3HE MET 1 -12.883 -17.977 -9.920 12 H GLY 2 H GLY 2 -6.884 -15.884 -7.803 13 1HA GLY 2 2HA GLY 2 -4.860 -16.319 -5.715 14 2HA GLY 2 1HA GLY 2 -4.863 -15.103 -7.004 15 H ASP 3 H ASP 3 -4.447 -14.459 -4.268 16 HA ASP 3 HA ASP 3 -5.931 -12.191 -3.880 17 1HB ASP 3 2HB ASP 3 -7.875 -13.613 -3.179 18 2HB ASP 3 3HB ASP 3 -6.830 -14.467 -2.028 19 H GLY 4 H GLY 4 -5.328 -11.423 -1.485 20 1HA GLY 4 2HA GLY 4 -3.383 -12.833 0.025 21 2HA GLY 4 1HA GLY 4 -2.526 -11.716 -1.064 22 H VAL 5 H VAL 5 -1.994 -10.965 1.291 23 HA VAL 5 HA VAL 5 -3.501 -8.477 1.626 24 HB VAL 5 HB VAL 5 -4.692 -9.768 3.176 25 1HG1 VAL 5 1HG1 VAL 5 -3.748 -10.993 5.043 26 2HG1 VAL 5 2HG1 VAL 5 -3.208 -11.700 3.516 27 3HG1 VAL 5 3HG1 VAL 5 -2.099 -10.694 4.476 28 1HG2 VAL 5 1HG2 VAL 5 -4.281 -8.587 5.240 29 2HG2 VAL 5 2HG2 VAL 5 -2.622 -8.214 4.765 30 3HG2 VAL 5 3HG2 VAL 5 -3.980 -7.489 3.874 31 H LEU 6 H LEU 6 -1.786 -7.444 0.686 32 HA LEU 6 HA LEU 6 0.866 -7.657 1.921 33 1HB LEU 6 2HB LEU 6 0.414 -7.248 -0.567 34 2HB LEU 6 3HB LEU 6 -0.030 -5.615 -0.135 35 HG LEU 6 HG LEU 6 2.248 -5.851 -0.958 36 1HD1 LEU 6 1HD1 LEU 6 3.457 -4.579 0.687 37 2HD1 LEU 6 2HD1 LEU 6 1.764 -4.055 0.652 38 3HD1 LEU 6 3HD1 LEU 6 2.354 -5.100 1.975 39 1HD2 LEU 6 1HD2 LEU 6 2.694 -8.168 -0.077 40 2HD2 LEU 6 2HD2 LEU 6 4.019 -7.009 0.128 41 3HD2 LEU 6 3HD2 LEU 6 3.018 -7.442 1.514 42 H GLU 7 H GLU 7 -0.088 -7.337 3.957 43 HA GLU 7 HA GLU 7 -0.813 -4.609 4.798 44 1HB GLU 7 2HB GLU 7 -0.681 -7.298 6.073 45 2HB GLU 7 3HB GLU 7 -0.214 -5.948 7.117 46 1HG GLU 7 2HG GLU 7 -2.238 -4.754 6.665 47 2HG GLU 7 3HG GLU 7 -2.758 -5.967 5.478 48 H LEU 8 H LEU 8 0.647 -3.047 5.148 49 HA LEU 8 HA LEU 8 3.185 -3.678 6.394 50 1HB LEU 8 2HB LEU 8 4.640 -2.883 4.677 51 2HB LEU 8 3HB LEU 8 3.638 -4.156 4.012 52 HG LEU 8 HG LEU 8 3.823 -2.699 2.296 53 1HD1 LEU 8 1HD1 LEU 8 1.316 -1.584 3.570 54 2HD1 LEU 8 2HD1 LEU 8 1.699 -1.646 1.842 55 3HD1 LEU 8 3HD1 LEU 8 1.378 -3.141 2.740 56 1HD2 LEU 8 1HD2 LEU 8 4.900 -0.876 3.644 57 2HD2 LEU 8 2HD2 LEU 8 3.875 -0.360 2.306 58 3HD2 LEU 8 3HD2 LEU 8 3.261 -0.246 3.959 59 H VAL 9 H VAL 9 4.399 -1.766 7.035 60 HA VAL 9 HA VAL 9 2.645 0.454 7.677 61 HB VAL 9 HB VAL 9 5.191 -0.596 8.716 62 1HG1 VAL 9 1HG1 VAL 9 6.182 1.436 7.894 63 2HG1 VAL 9 2HG1 VAL 9 4.802 2.403 8.484 64 3HG1 VAL 9 3HG1 VAL 9 5.908 1.608 9.628 65 1HG2 VAL 9 1HG2 VAL 9 4.263 0.253 10.797 66 2HG2 VAL 9 2HG2 VAL 9 3.081 1.249 9.938 67 3HG2 VAL 9 3HG2 VAL 9 2.945 -0.524 9.898 68 H VAL 10 H VAL 10 2.417 2.084 6.296 69 HA VAL 10 HA VAL 10 4.229 2.413 3.983 70 HB VAL 10 HB VAL 10 1.900 1.980 3.482 71 1HG1 VAL 10 1HG1 VAL 10 0.841 2.969 5.555 72 2HG1 VAL 10 2HG1 VAL 10 1.078 4.567 4.882 73 3HG1 VAL 10 3HG1 VAL 10 0.061 3.431 4.034 74 1HG2 VAL 10 1HG2 VAL 10 2.580 4.883 2.955 75 2HG2 VAL 10 2HG2 VAL 10 3.302 3.499 2.110 76 3HG2 VAL 10 3HG2 VAL 10 1.550 3.801 1.981 77 H ARG 11 H ARG 11 5.814 3.244 5.484 78 HA ARG 11 HA ARG 11 5.036 5.324 7.354 79 1HB ARG 11 2HB ARG 11 7.209 3.485 7.001 80 2HB ARG 11 3HB ARG 11 7.919 5.081 6.990 81 1HG ARG 11 2HG ARG 11 6.062 4.209 9.215 82 2HG ARG 11 3HG ARG 11 7.795 3.859 9.183 83 1HD ARG 11 2HD ARG 11 7.504 5.847 10.459 84 2HD ARG 11 3HD ARG 11 8.313 6.271 8.956 85 HE ARG 11 HE ARG 11 5.368 6.638 9.565 86 1HH1 ARG 11 2HH2 ARG 11 8.161 7.769 7.554 87 2HH1 ARG 11 1HH2 ARG 11 7.449 9.315 7.327 88 1HH2 ARG 11 2HH1 ARG 11 4.396 8.422 8.982 89 2HH2 ARG 11 1HH1 ARG 11 5.175 9.709 8.068 90 H GLY 12 H GLY 12 4.318 7.203 6.220 91 1HA GLY 12 2HA GLY 12 6.263 9.014 5.261 92 2HA GLY 12 1HA GLY 12 5.689 8.115 3.862 93 H MET 13 H MET 13 2.985 7.802 4.478 94 HA MET 13 HA MET 13 2.083 10.227 3.446 95 1HB MET 13 2HB MET 13 -0.286 9.221 3.856 96 2HB MET 13 3HB MET 13 0.825 8.556 2.684 97 1HG MET 13 2HG MET 13 -0.313 6.815 3.734 98 2HG MET 13 3HG MET 13 1.366 6.680 4.210 99 1HE MET 13 1HE MET 13 1.994 6.497 6.901 100 2HE MET 13 2HE MET 13 1.870 8.258 6.718 101 3HE MET 13 3HE MET 13 1.064 7.470 8.049 102 H THR 14 H THR 14 2.896 11.723 4.928 103 HA THR 14 HA THR 14 2.130 11.833 7.588 104 HB THR 14 HB THR 14 4.144 12.858 6.632 105 HG1 THR 14 1HG THR 14 2.390 14.360 8.239 106 1HG2 THR 14 1HG2 THR 14 3.182 13.959 4.636 107 2HG2 THR 14 2HG2 THR 14 2.299 15.098 5.677 108 3HG2 THR 14 3HG2 THR 14 4.071 15.099 5.657 109 H CYS 15 H CYS 15 -0.002 12.806 5.011 110 HA CYS 15 HA CYS 15 -1.859 13.781 7.008 111 1HB CYS 15 2HB CYS 15 -2.214 15.974 6.115 112 2HB CYS 15 3HB CYS 15 -0.499 15.822 6.465 113 H ALA 16 H ALA 16 -3.940 14.391 5.896 114 HA ALA 16 HA ALA 16 -5.094 12.299 4.563 115 1HB ALA 16 1HB ALA 16 -6.885 13.873 3.935 116 2HB ALA 16 2HB ALA 16 -6.352 14.121 5.610 117 3HB ALA 16 3HB ALA 16 -5.829 15.244 4.333 118 H SER 17 H SER 17 -3.647 15.228 3.058 119 HA SER 17 HA SER 17 -4.199 14.798 0.401 120 1HB SER 17 2HB SER 17 -1.562 15.900 1.395 121 2HB SER 17 3HB SER 17 -2.553 16.445 0.032 122 HG SER 17 HG SER 17 -2.579 17.424 2.437 123 H CYS 18 H CYS 18 -1.615 13.316 2.411 124 HA CYS 18 HA CYS 18 -0.366 11.970 0.116 125 1HB CYS 18 2HB CYS 18 -0.063 11.450 3.083 126 2HB CYS 18 3HB CYS 18 0.885 10.790 1.740 127 H VAL 19 H VAL 19 -2.369 11.106 2.964 128 HA VAL 19 HA VAL 19 -2.571 8.374 2.557 129 HB VAL 19 HB VAL 19 -4.650 10.289 3.671 130 1HG1 VAL 19 1HG1 VAL 19 -5.634 8.434 4.870 131 2HG1 VAL 19 2HG1 VAL 19 -5.696 8.059 3.145 132 3HG1 VAL 19 3HG1 VAL 19 -4.455 7.309 4.186 133 1HG2 VAL 19 1HG2 VAL 19 -3.740 9.614 5.856 134 2HG2 VAL 19 2HG2 VAL 19 -2.590 8.517 5.070 135 3HG2 VAL 19 3HG2 VAL 19 -2.421 10.263 4.875 136 H HIS 20 H HIS 20 -5.035 10.755 1.348 137 HA HIS 20 HA HIS 20 -6.395 8.653 -0.063 138 1HB HIS 20 2HB HIS 20 -7.960 10.143 -0.704 139 2HB HIS 20 3HB HIS 20 -7.379 10.864 0.794 140 HD1 HIS 20 1HD HIS 20 -8.708 12.185 -2.065 141 HD2 HIS 20 2HD HIS 20 -4.861 12.499 -0.417 142 HE1 HIS 20 1HE HIS 20 -7.669 14.306 -3.035 143 H LYS 21 H LYS 21 -3.625 10.596 -0.918 144 HA LYS 21 HA LYS 21 -3.836 10.242 -3.793 145 1HB LYS 21 2HB LYS 21 -2.577 12.072 -2.961 146 2HB LYS 21 3HB LYS 21 -1.581 11.045 -1.933 147 1HG LYS 21 2HG LYS 21 -0.503 10.034 -3.850 148 2HG LYS 21 3HG LYS 21 -1.541 10.973 -4.959 149 1HD LYS 21 2HD LYS 21 -0.601 13.084 -4.119 150 2HD LYS 21 3HD LYS 21 0.212 12.251 -2.801 151 1HE LYS 21 2HE LYS 21 1.834 12.898 -4.487 152 2HE LYS 21 3HE LYS 21 1.766 11.144 -4.318 153 1HZ LYS 21 1HZ LYS 21 0.467 12.713 -6.455 154 2HZ LYS 21 2HZ LYS 21 1.848 11.833 -6.608 155 3HZ LYS 21 3HZ LYS 21 0.422 11.070 -6.315 156 H ILE 22 H ILE 22 -2.111 8.564 -1.079 157 HA ILE 22 HA ILE 22 -1.064 6.470 -2.735 158 HB ILE 22 HB ILE 22 -1.826 6.315 0.209 159 1HG1 ILE 22 2HG1 ILE 22 0.761 7.026 -1.221 160 2HG1 ILE 22 3HG1 ILE 22 -0.147 8.027 -0.082 161 1HG2 ILE 22 1HG2 ILE 22 -0.308 4.329 0.214 162 2HG2 ILE 22 2HG2 ILE 22 -1.652 4.098 -0.870 163 3HG2 ILE 22 3HG2 ILE 22 -0.061 4.524 -1.534 164 1HD1 ILE 22 1HD1 ILE 22 0.321 6.145 1.638 165 2HD1 ILE 22 2HD1 ILE 22 1.547 5.586 0.469 166 3HD1 ILE 22 3HD1 ILE 22 1.670 7.193 1.174 167 H GLU 23 H GLU 23 -4.064 6.529 -0.726 168 HA GLU 23 HA GLU 23 -4.969 4.034 -1.463 169 1HB GLU 23 2HB GLU 23 -5.892 6.020 0.179 170 2HB GLU 23 3HB GLU 23 -7.103 6.128 -1.089 171 1HG GLU 23 2HG GLU 23 -7.804 3.863 -0.724 172 2HG GLU 23 3HG GLU 23 -6.346 3.479 0.209 173 H SER 24 H SER 24 -5.789 7.164 -3.068 174 HA SER 24 HA SER 24 -7.285 6.009 -5.163 175 1HB SER 24 2HB SER 24 -7.244 8.422 -4.812 176 2HB SER 24 3HB SER 24 -5.558 8.492 -5.359 177 HG SER 24 HG SER 24 -7.124 8.906 -7.039 178 H SER 25 H SER 25 -3.687 6.461 -4.861 179 HA SER 25 HA SER 25 -3.160 6.064 -7.653 180 1HB SER 25 2HB SER 25 -1.586 7.144 -6.058 181 2HB SER 25 3HB SER 25 -1.337 5.570 -5.275 182 HG SER 25 HG SER 25 -0.562 4.827 -7.348 183 H LEU 26 H LEU 26 -3.189 3.992 -4.767 184 HA LEU 26 HA LEU 26 -2.481 1.576 -5.995 185 1HB LEU 26 2HB LEU 26 -4.081 2.366 -3.583 186 2HB LEU 26 3HB LEU 26 -3.893 0.678 -4.004 187 HG LEU 26 HG LEU 26 -1.531 2.572 -3.713 188 1HD1 LEU 26 1HD1 LEU 26 -2.660 0.680 -1.646 189 2HD1 LEU 26 2HD1 LEU 26 -1.267 1.774 -1.450 190 3HD1 LEU 26 3HD1 LEU 26 -2.908 2.438 -1.654 191 1HD2 LEU 26 1HD2 LEU 26 -0.264 0.445 -3.291 192 2HD2 LEU 26 2HD2 LEU 26 -1.718 -0.465 -3.763 193 3HD2 LEU 26 3HD2 LEU 26 -0.879 0.571 -4.934 194 H THR 27 H THR 27 -5.818 2.846 -5.370 195 HA THR 27 HA THR 27 -7.124 0.716 -6.698 196 HB THR 27 HB THR 27 -9.060 2.202 -6.972 197 HG1 THR 27 1HG THR 27 -7.219 4.139 -6.048 198 1HG2 THR 27 1HG2 THR 27 -7.715 2.418 -4.248 199 2HG2 THR 27 2HG2 THR 27 -9.429 2.690 -4.598 200 3HG2 THR 27 3HG2 THR 27 -8.720 1.081 -4.831 201 H LYS 28 H LYS 28 -5.016 2.918 -8.260 202 HA LYS 28 HA LYS 28 -6.403 2.914 -10.838 203 1HB LYS 28 2HB LYS 28 -3.479 3.392 -10.296 204 2HB LYS 28 3HB LYS 28 -4.388 3.899 -11.695 205 1HG LYS 28 2HG LYS 28 -4.831 4.947 -8.865 206 2HG LYS 28 3HG LYS 28 -3.753 5.659 -9.988 207 1HD LYS 28 2HD LYS 28 -5.612 7.031 -10.190 208 2HD LYS 28 3HD LYS 28 -5.825 5.940 -11.550 209 1HE LYS 28 2HE LYS 28 -7.957 6.370 -10.444 210 2HE LYS 28 3HE LYS 28 -7.546 4.671 -10.254 211 1HZ LYS 28 1HZ LYS 28 -7.241 6.739 -8.122 212 2HZ LYS 28 2HZ LYS 28 -8.364 5.532 -8.203 213 3HZ LYS 28 3HZ LYS 28 -6.809 5.170 -8.010 214 H HIS 29 H HIS 29 -4.177 0.795 -9.068 215 HA HIS 29 HA HIS 29 -3.564 -0.770 -11.491 216 1HB HIS 29 2HB HIS 29 -3.082 -1.681 -8.666 217 2HB HIS 29 3HB HIS 29 -2.191 -2.098 -10.128 218 HD1 HIS 29 1HD HIS 29 -0.918 0.489 -11.117 219 HD2 HIS 29 2HD HIS 29 -1.873 -0.201 -7.101 220 HE1 HIS 29 1HE HIS 29 0.521 2.097 -9.733 221 H ARG 30 H ARG 30 -4.477 -2.832 -11.875 222 HA ARG 30 HA ARG 30 -7.012 -3.421 -10.451 223 1HB ARG 30 2HB ARG 30 -7.017 -3.276 -12.919 224 2HB ARG 30 3HB ARG 30 -5.775 -4.530 -13.012 225 1HG ARG 30 2HG ARG 30 -7.982 -5.400 -13.553 226 2HG ARG 30 3HG ARG 30 -7.319 -6.210 -12.136 227 1HD ARG 30 2HD ARG 30 -8.720 -4.921 -10.629 228 2HD ARG 30 3HD ARG 30 -9.301 -3.879 -11.923 229 HE ARG 30 HE ARG 30 -10.155 -6.562 -11.170 230 1HH1 ARG 30 2HH2 ARG 30 -10.001 -4.323 -13.875 231 2HH1 ARG 30 1HH2 ARG 30 -11.369 -4.971 -14.730 232 1HH2 ARG 30 2HH1 ARG 30 -11.972 -7.489 -12.272 233 2HH2 ARG 30 1HH1 ARG 30 -12.506 -6.842 -13.788 234 H GLY 31 H GLY 31 -3.722 -4.590 -10.704 235 1HA GLY 31 2HA GLY 31 -4.227 -7.284 -9.838 236 2HA GLY 31 1HA GLY 31 -2.686 -6.428 -9.830 237 H ILE 32 H ILE 32 -4.209 -4.232 -8.108 238 HA ILE 32 HA ILE 32 -4.048 -5.607 -5.500 239 HB ILE 32 HB ILE 32 -4.124 -3.513 -4.463 240 1HG1 ILE 32 2HG1 ILE 32 -3.924 -1.414 -6.010 241 2HG1 ILE 32 3HG1 ILE 32 -4.944 -2.358 -7.103 242 1HG2 ILE 32 1HG2 ILE 32 -2.224 -3.185 -6.794 243 2HG2 ILE 32 2HG2 ILE 32 -2.050 -2.581 -5.139 244 3HG2 ILE 32 3HG2 ILE 32 -1.964 -4.322 -5.452 245 1HD1 ILE 32 1HD1 ILE 32 -6.591 -2.618 -5.193 246 2HD1 ILE 32 2HD1 ILE 32 -5.500 -1.669 -4.170 247 3HD1 ILE 32 3HD1 ILE 32 -6.269 -0.929 -5.579 248 H LEU 33 H LEU 33 -5.967 -6.304 -4.605 249 HA LEU 33 HA LEU 33 -8.464 -5.964 -6.164 250 1HB LEU 33 2HB LEU 33 -7.860 -7.499 -3.593 251 2HB LEU 33 3HB LEU 33 -9.436 -7.373 -4.361 252 HG LEU 33 HG LEU 33 -8.665 -9.462 -4.942 253 1HD1 LEU 33 1HD1 LEU 33 -8.527 -9.487 -7.346 254 2HD1 LEU 33 2HD1 LEU 33 -9.632 -8.183 -6.864 255 3HD1 LEU 33 3HD1 LEU 33 -7.975 -7.809 -7.404 256 1HD2 LEU 33 1HD2 LEU 33 -6.026 -8.368 -5.948 257 2HD2 LEU 33 2HD2 LEU 33 -6.290 -9.152 -4.362 258 3HD2 LEU 33 3HD2 LEU 33 -6.543 -10.059 -5.856 259 H TYR 34 H TYR 34 -6.924 -4.824 -3.108 260 HA TYR 34 HA TYR 34 -8.969 -2.749 -2.884 261 1HB TYR 34 2HB TYR 34 -10.074 -4.704 -1.757 262 2HB TYR 34 3HB TYR 34 -8.627 -4.912 -0.763 263 HD1 TYR 34 HD1 TYR 34 -11.072 -2.172 -1.642 264 HD2 TYR 34 HD2 TYR 34 -8.700 -4.084 1.413 265 HE1 TYR 34 HE1 TYR 34 -11.989 -0.614 0.058 266 HE2 TYR 34 HE2 TYR 34 -9.683 -2.594 3.112 267 HH TYR 34 HH TYR 34 -11.248 -0.935 3.534 268 H CYS 35 H CYS 35 -8.269 -1.127 -1.318 269 HA CYS 35 HA CYS 35 -5.803 -1.671 0.097 270 1HB CYS 35 2HB CYS 35 -4.599 0.231 -0.591 271 2HB CYS 35 3HB CYS 35 -5.072 -0.609 -2.079 272 HG CYS 35 HG CYS 35 -7.292 0.946 -2.332 273 H SER 36 H SER 36 -5.675 -0.593 2.000 274 HA SER 36 HA SER 36 -7.565 1.605 2.618 275 1HB SER 36 2HB SER 36 -8.800 -0.226 3.447 276 2HB SER 36 3HB SER 36 -7.364 -1.022 4.114 277 HG SER 36 HG SER 36 -8.533 1.425 4.989 278 H VAL 37 H VAL 37 -6.057 3.163 2.989 279 HA VAL 37 HA VAL 37 -3.542 2.509 4.468 280 HB VAL 37 HB VAL 37 -2.920 4.882 3.873 281 1HG1 VAL 37 1HG1 VAL 37 -3.353 2.878 1.624 282 2HG1 VAL 37 2HG1 VAL 37 -2.319 4.323 1.559 283 3HG1 VAL 37 3HG1 VAL 37 -1.942 3.026 2.695 284 1HG2 VAL 37 1HG2 VAL 37 -5.387 5.484 3.232 285 2HG2 VAL 37 2HG2 VAL 37 -4.055 6.039 2.188 286 3HG2 VAL 37 3HG2 VAL 37 -5.006 4.629 1.723 287 H ALA 38 H ALA 38 -2.941 3.819 6.315 288 HA ALA 38 HA ALA 38 -4.844 5.837 7.197 289 1HB ALA 38 1HB ALA 38 -4.267 3.531 9.091 290 2HB ALA 38 2HB ALA 38 -5.088 5.036 9.497 291 3HB ALA 38 3HB ALA 38 -5.863 3.905 8.365 292 H LEU 39 H LEU 39 -3.668 7.488 7.916 293 HA LEU 39 HA LEU 39 -0.933 7.196 8.802 294 1HB LEU 39 2HB LEU 39 -0.990 9.559 9.355 295 2HB LEU 39 3HB LEU 39 -1.484 9.190 7.710 296 HG LEU 39 HG LEU 39 -3.891 9.535 8.379 297 1HD1 LEU 39 1HD1 LEU 39 -3.894 9.339 10.806 298 2HD1 LEU 39 2HD1 LEU 39 -2.587 10.536 10.956 299 3HD1 LEU 39 3HD1 LEU 39 -4.206 11.021 10.419 300 1HD2 LEU 39 1HD2 LEU 39 -1.969 11.861 8.802 301 2HD2 LEU 39 2HD2 LEU 39 -2.481 11.231 7.226 302 3HD2 LEU 39 3HD2 LEU 39 -3.671 11.977 8.303 303 H ALA 40 H ALA 40 -4.007 6.901 10.394 304 HA ALA 40 HA ALA 40 -3.246 7.362 13.059 305 1HB ALA 40 1HB ALA 40 -5.030 5.773 13.654 306 2HB ALA 40 2HB ALA 40 -5.558 6.862 12.357 307 3HB ALA 40 3HB ALA 40 -5.098 5.186 11.980 308 H THR 41 H THR 41 -2.949 4.349 11.114 309 HA THR 41 HA THR 41 -1.189 3.141 13.131 310 HB THR 41 HB THR 41 -1.589 1.552 10.819 311 HG1 THR 41 1HG THR 41 -3.980 2.502 12.018 312 1HG2 THR 41 1HG2 THR 41 -2.653 0.015 12.391 313 2HG2 THR 41 2HG2 THR 41 -1.142 0.672 13.044 314 3HG2 THR 41 3HG2 THR 41 -2.704 1.291 13.629 315 H ASN 42 H ASN 42 -0.958 4.851 10.119 316 HA ASN 42 HA ASN 42 0.600 5.207 8.556 317 1HB ASN 42 2HB ASN 42 2.576 4.277 10.687 318 2HB ASN 42 3HB ASN 42 3.070 4.553 9.021 319 1HD2 ASN 42 1HD2 ASN 42 0.697 6.467 10.961 320 2HD2 ASN 42 2HD2 ASN 42 1.534 7.942 10.738 321 H LYS 43 H LYS 43 -1.109 3.125 8.291 322 HA LYS 43 HA LYS 43 0.562 0.786 7.483 323 1HB LYS 43 2HB LYS 43 -1.220 -0.725 7.976 324 2HB LYS 43 3HB LYS 43 -0.725 0.135 9.408 325 1HG LYS 43 2HG LYS 43 -3.034 0.159 9.606 326 2HG LYS 43 3HG LYS 43 -2.775 1.735 8.836 327 1HD LYS 43 2HD LYS 43 -3.457 0.782 6.662 328 2HD LYS 43 3HD LYS 43 -3.560 -0.838 7.397 329 1HE LYS 43 2HE LYS 43 -5.361 0.125 8.924 330 2HE LYS 43 3HE LYS 43 -5.201 1.646 8.049 331 1HZ LYS 43 1HZ LYS 43 -6.976 0.500 6.960 332 2HZ LYS 43 2HZ LYS 43 -5.700 0.330 5.986 333 3HZ LYS 43 3HZ LYS 43 -6.148 -0.918 6.944 334 H ALA 44 H ALA 44 -0.188 -0.376 5.728 335 HA ALA 44 HA ALA 44 -2.587 0.589 4.331 336 1HB ALA 44 1HB ALA 44 -0.133 -0.209 2.751 337 2HB ALA 44 2HB ALA 44 -1.645 0.522 2.181 338 3HB ALA 44 3HB ALA 44 -0.504 1.462 3.181 339 H HIS 45 H HIS 45 -3.926 -1.020 4.281 340 HA HIS 45 HA HIS 45 -3.028 -3.907 4.244 341 1HB HIS 45 2HB HIS 45 -4.599 -3.309 6.059 342 2HB HIS 45 3HB HIS 45 -5.704 -2.600 4.877 343 HD1 HIS 45 1HD HIS 45 -5.176 -5.771 6.671 344 HD2 HIS 45 2HD HIS 45 -6.511 -4.549 2.865 345 HE1 HIS 45 1HE HIS 45 -6.631 -7.649 5.764 346 H ILE 46 H ILE 46 -2.548 -4.314 2.170 347 HA ILE 46 HA ILE 46 -4.434 -3.333 0.094 348 HB ILE 46 HB ILE 46 -1.480 -3.913 -0.196 349 1HG1 ILE 46 2HG1 ILE 46 -2.958 -1.258 0.030 350 2HG1 ILE 46 3HG1 ILE 46 -1.841 -1.929 1.229 351 1HG2 ILE 46 1HG2 ILE 46 -1.777 -2.993 -2.447 352 2HG2 ILE 46 2HG2 ILE 46 -2.959 -4.269 -2.225 353 3HG2 ILE 46 3HG2 ILE 46 -3.467 -2.578 -2.091 354 1HD1 ILE 46 1HD1 ILE 46 -1.074 -1.127 -1.578 355 2HD1 ILE 46 2HD1 ILE 46 -0.699 -0.259 -0.080 356 3HD1 ILE 46 3HD1 ILE 46 -0.005 -1.868 -0.361 357 H LYS 47 H LYS 47 -5.722 -5.008 -0.438 358 HA LYS 47 HA LYS 47 -4.675 -7.794 -0.240 359 1HB LYS 47 2HB LYS 47 -7.410 -6.729 -0.933 360 2HB LYS 47 3HB LYS 47 -6.937 -8.438 -0.938 361 1HG LYS 47 2HG LYS 47 -6.298 -8.053 1.581 362 2HG LYS 47 3HG LYS 47 -7.132 -6.512 1.386 363 1HD LYS 47 2HD LYS 47 -8.906 -7.726 2.140 364 2HD LYS 47 3HD LYS 47 -9.103 -8.020 0.414 365 1HE LYS 47 2HE LYS 47 -7.993 -9.859 2.578 366 2HE LYS 47 3HE LYS 47 -9.387 -10.126 1.523 367 1HZ LYS 47 1HZ LYS 47 -6.528 -10.250 0.739 368 2HZ LYS 47 2HZ LYS 47 -7.624 -11.480 0.712 369 3HZ LYS 47 3HZ LYS 47 -7.712 -10.340 -0.357 370 H TYR 48 H TYR 48 -4.271 -9.002 -2.151 371 HA TYR 48 HA TYR 48 -4.198 -7.576 -4.690 372 1HB TYR 48 2HB TYR 48 -1.906 -7.193 -4.731 373 2HB TYR 48 3HB TYR 48 -2.420 -6.511 -3.200 374 HD1 TYR 48 HD1 TYR 48 0.345 -7.746 -4.467 375 HD2 TYR 48 HD2 TYR 48 -2.377 -8.813 -1.300 376 HE1 TYR 48 HE1 TYR 48 2.102 -9.089 -3.401 377 HE2 TYR 48 HE2 TYR 48 -0.627 -10.229 -0.293 378 HH TYR 48 HH TYR 48 1.514 -11.063 -0.490 379 H ASP 49 H ASP 49 -3.540 -8.851 -6.419 380 HA ASP 49 HA ASP 49 -3.322 -11.767 -5.931 381 1HB ASP 49 2HB ASP 49 -3.673 -10.026 -8.377 382 2HB ASP 49 3HB ASP 49 -3.105 -11.701 -8.514 383 HA PRO 50 HA PRO 50 0.871 -10.351 -5.277 384 1HB PRO 50 2HB PRO 50 2.148 -12.770 -4.740 385 2HB PRO 50 3HB PRO 50 1.147 -11.867 -3.576 386 1HG PRO 50 2HG PRO 50 0.305 -14.204 -5.292 387 2HG PRO 50 3HG PRO 50 -0.034 -13.915 -3.566 388 1HD PRO 50 2HD PRO 50 -1.862 -13.359 -5.472 389 2HD PRO 50 3HD PRO 50 -1.661 -12.283 -4.058 390 H GLU 51 H GLU 51 0.644 -13.375 -7.148 391 HA GLU 51 HA GLU 51 2.971 -13.141 -8.655 392 1HB GLU 51 2HB GLU 51 1.835 -14.773 -10.156 393 2HB GLU 51 3HB GLU 51 1.720 -15.179 -8.443 394 1HG GLU 51 2HG GLU 51 -0.656 -14.109 -8.492 395 2HG GLU 51 3HG GLU 51 -0.478 -14.120 -10.253 396 H ILE 52 H ILE 52 -0.293 -11.859 -9.368 397 HA ILE 52 HA ILE 52 0.480 -11.040 -11.999 398 HB ILE 52 HB ILE 52 -1.916 -11.508 -10.721 399 1HG1 ILE 52 2HG1 ILE 52 -1.454 -11.928 -13.042 400 2HG1 ILE 52 3HG1 ILE 52 -2.978 -11.068 -12.825 401 1HG2 ILE 52 1HG2 ILE 52 -3.325 -9.548 -10.932 402 2HG2 ILE 52 2HG2 ILE 52 -2.059 -9.274 -9.733 403 3HG2 ILE 52 3HG2 ILE 52 -1.934 -8.525 -11.332 404 1HD1 ILE 52 1HD1 ILE 52 -1.724 -10.219 -14.760 405 2HD1 ILE 52 2HD1 ILE 52 -1.916 -8.949 -13.543 406 3HD1 ILE 52 3HD1 ILE 52 -0.356 -9.786 -13.726 407 H ILE 53 H ILE 53 0.068 -9.239 -8.915 408 HA ILE 53 HA ILE 53 0.747 -6.768 -10.357 409 HB ILE 53 HB ILE 53 -1.027 -7.159 -8.522 410 1HG1 ILE 53 2HG1 ILE 53 -0.815 -5.062 -9.629 411 2HG1 ILE 53 3HG1 ILE 53 -0.982 -4.804 -7.894 412 1HG2 ILE 53 1HG2 ILE 53 -0.475 -6.523 -6.315 413 2HG2 ILE 53 2HG2 ILE 53 0.426 -7.983 -6.763 414 3HG2 ILE 53 3HG2 ILE 53 1.247 -6.408 -6.679 415 1HD1 ILE 53 1HD1 ILE 53 0.637 -3.253 -8.694 416 2HD1 ILE 53 2HD1 ILE 53 1.565 -4.487 -7.822 417 3HD1 ILE 53 3HD1 ILE 53 1.503 -4.495 -9.603 418 H GLY 54 H GLY 54 2.247 -8.805 -7.810 419 1HA GLY 54 2HA GLY 54 4.510 -8.968 -7.368 420 2HA GLY 54 1HA GLY 54 4.863 -7.475 -8.225 421 HA PRO 55 HA PRO 55 3.557 -6.410 -3.624 422 1HB PRO 55 2HB PRO 55 5.487 -7.483 -1.962 423 2HB PRO 55 3HB PRO 55 3.889 -8.216 -2.245 424 1HG PRO 55 2HG PRO 55 6.519 -8.947 -3.517 425 2HG PRO 55 3HG PRO 55 5.241 -10.036 -2.917 426 1HD PRO 55 2HD PRO 55 5.561 -9.414 -5.549 427 2HD PRO 55 3HD PRO 55 3.938 -9.719 -4.869 428 H ARG 56 H ARG 56 6.753 -7.211 -4.897 429 HA ARG 56 HA ARG 56 8.411 -5.081 -4.386 430 1HB ARG 56 2HB ARG 56 8.850 -7.070 -5.854 431 2HB ARG 56 3HB ARG 56 7.773 -6.380 -7.071 432 1HG ARG 56 2HG ARG 56 9.401 -4.308 -6.995 433 2HG ARG 56 3HG ARG 56 10.483 -5.392 -6.123 434 1HD ARG 56 2HD ARG 56 11.072 -5.461 -8.429 435 2HD ARG 56 3HD ARG 56 10.285 -7.017 -8.072 436 HE ARG 56 HE ARG 56 8.168 -5.496 -8.992 437 1HH1 ARG 56 2HH2 ARG 56 11.200 -6.555 -10.383 438 2HH1 ARG 56 1HH2 ARG 56 10.791 -6.091 -12.010 439 1HH2 ARG 56 2HH1 ARG 56 7.708 -4.609 -10.987 440 2HH2 ARG 56 1HH1 ARG 56 8.644 -5.042 -12.399 441 H ASP 57 H ASP 57 5.797 -5.191 -6.882 442 HA ASP 57 HA ASP 57 6.288 -2.491 -7.681 443 1HB ASP 57 2HB ASP 57 4.235 -4.517 -8.514 444 2HB ASP 57 3HB ASP 57 4.425 -2.927 -9.263 445 H ILE 58 H ILE 58 3.847 -3.989 -5.581 446 HA ILE 58 HA ILE 58 2.370 -1.573 -5.080 447 HB ILE 58 HB ILE 58 3.059 -3.942 -3.314 448 1HG1 ILE 58 2HG1 ILE 58 0.427 -2.975 -4.523 449 2HG1 ILE 58 3HG1 ILE 58 1.495 -4.151 -5.307 450 1HG2 ILE 58 1HG2 ILE 58 1.416 -3.093 -1.683 451 2HG2 ILE 58 2HG2 ILE 58 2.789 -2.016 -1.796 452 3HG2 ILE 58 3HG2 ILE 58 1.270 -1.583 -2.611 453 1HD1 ILE 58 1HD1 ILE 58 -0.224 -5.351 -4.171 454 2HD1 ILE 58 2HD1 ILE 58 1.313 -5.628 -3.322 455 3HD1 ILE 58 3HD1 ILE 58 0.091 -4.526 -2.641 456 H ILE 59 H ILE 59 5.431 -2.800 -3.595 457 HA ILE 59 HA ILE 59 5.876 -0.505 -1.982 458 HB ILE 59 HB ILE 59 7.739 -2.594 -3.130 459 1HG1 ILE 59 2HG1 ILE 59 6.924 -2.219 -0.240 460 2HG1 ILE 59 3HG1 ILE 59 5.860 -3.092 -1.346 461 1HG2 ILE 59 1HG2 ILE 59 8.320 -0.337 -1.194 462 2HG2 ILE 59 2HG2 ILE 59 9.373 -1.751 -1.424 463 3HG2 ILE 59 3HG2 ILE 59 9.080 -0.654 -2.771 464 1HD1 ILE 59 1HD1 ILE 59 7.665 -4.632 -1.956 465 2HD1 ILE 59 2HD1 ILE 59 8.749 -3.838 -0.791 466 3HD1 ILE 59 3HD1 ILE 59 7.291 -4.678 -0.221 467 H HIS 60 H HIS 60 6.995 -1.257 -5.355 468 HA HIS 60 HA HIS 60 8.293 1.145 -5.884 469 1HB HIS 60 2HB HIS 60 6.460 -0.287 -7.859 470 2HB HIS 60 3HB HIS 60 7.652 0.931 -8.228 471 HD1 HIS 60 1HD HIS 60 7.716 -2.129 -9.425 472 HD2 HIS 60 2HD HIS 60 10.115 -0.276 -6.466 473 HE1 HIS 60 1HE HIS 60 10.045 -3.108 -9.617 474 H THR 61 H THR 61 4.704 0.579 -5.893 475 HA THR 61 HA THR 61 4.118 3.203 -6.925 476 HB THR 61 HB THR 61 2.426 1.377 -5.166 477 HG1 THR 61 1HG THR 61 1.391 1.176 -7.313 478 1HG2 THR 61 1HG2 THR 61 1.667 3.891 -6.709 479 2HG2 THR 61 2HG2 THR 61 0.517 2.743 -5.985 480 3HG2 THR 61 3HG2 THR 61 1.598 3.669 -4.945 481 H ILE 62 H ILE 62 4.297 1.963 -3.585 482 HA ILE 62 HA ILE 62 3.779 4.383 -2.212 483 HB ILE 62 HB ILE 62 5.036 1.725 -1.628 484 1HG1 ILE 62 2HG1 ILE 62 2.805 3.296 -0.291 485 2HG1 ILE 62 3HG1 ILE 62 2.558 2.285 -1.729 486 1HG2 ILE 62 1HG2 ILE 62 5.383 2.300 0.755 487 2HG2 ILE 62 2HG2 ILE 62 6.515 3.130 -0.301 488 3HG2 ILE 62 3HG2 ILE 62 5.117 3.998 0.381 489 1HD1 ILE 62 1HD1 ILE 62 3.428 0.310 -0.429 490 2HD1 ILE 62 2HD1 ILE 62 3.396 1.349 1.021 491 3HD1 ILE 62 3HD1 ILE 62 1.896 0.992 0.160 492 H GLU 63 H GLU 63 6.965 3.013 -3.120 493 HA GLU 63 HA GLU 63 8.571 5.152 -2.177 494 1HB GLU 63 2HB GLU 63 8.957 3.168 -4.460 495 2HB GLU 63 3HB GLU 63 10.227 4.232 -3.839 496 1HG GLU 63 2HG GLU 63 10.101 3.202 -1.630 497 2HG GLU 63 3HG GLU 63 8.756 2.171 -2.130 498 H SER 64 H SER 64 7.377 4.481 -5.479 499 HA SER 64 HA SER 64 8.471 6.689 -6.790 500 1HB SER 64 2HB SER 64 7.477 4.730 -7.902 501 2HB SER 64 3HB SER 64 5.855 5.238 -7.381 502 HG SER 64 HG SER 64 6.413 5.876 -9.543 503 H LEU 65 H LEU 65 5.311 6.419 -5.095 504 HA LEU 65 HA LEU 65 4.477 9.100 -5.693 505 1HB LEU 65 2HB LEU 65 3.813 7.226 -3.401 506 2HB LEU 65 3HB LEU 65 3.017 8.787 -3.645 507 HG LEU 65 HG LEU 65 3.014 6.611 -5.780 508 1HD1 LEU 65 1HD1 LEU 65 2.019 5.794 -3.632 509 2HD1 LEU 65 2HD1 LEU 65 0.933 7.202 -3.641 510 3HD1 LEU 65 3HD1 LEU 65 0.828 5.975 -4.924 511 1HD2 LEU 65 1HD2 LEU 65 2.446 8.890 -6.588 512 2HD2 LEU 65 2HD2 LEU 65 1.045 7.816 -6.609 513 3HD2 LEU 65 3HD2 LEU 65 1.206 9.016 -5.316 514 H GLY 66 H GLY 66 5.689 7.878 -2.513 515 1HA GLY 66 2HA GLY 66 7.475 10.173 -2.301 516 2HA GLY 66 1HA GLY 66 6.023 10.383 -1.321 517 H PHE 67 H PHE 67 6.727 7.019 -1.115 518 HA PHE 67 HA PHE 67 7.248 7.874 1.707 519 1HB PHE 67 2HB PHE 67 5.107 6.111 0.542 520 2HB PHE 67 3HB PHE 67 5.205 6.653 2.205 521 HD1 PHE 67 1HD PHE 67 5.581 9.535 2.116 522 HD2 PHE 67 2HD PHE 67 3.543 7.131 -0.826 523 HE1 PHE 67 1HE PHE 67 4.144 11.456 1.546 524 HE2 PHE 67 2HE PHE 67 2.151 9.088 -1.438 525 HZ PHE 67 HZ PHE 67 2.447 11.253 -0.247 526 H GLU 68 H GLU 68 7.655 6.137 3.246 527 HA GLU 68 HA GLU 68 9.529 4.157 2.195 528 1HB GLU 68 2HB GLU 68 8.581 4.399 5.036 529 2HB GLU 68 3HB GLU 68 10.127 3.814 4.483 530 1HG GLU 68 2HG GLU 68 10.988 6.007 4.183 531 2HG GLU 68 3HG GLU 68 9.403 6.775 4.196 532 H ALA 69 H ALA 69 9.255 1.844 2.802 533 HA ALA 69 HA ALA 69 6.490 0.969 3.478 534 1HB ALA 69 1HB ALA 69 6.861 0.619 1.037 535 2HB ALA 69 2HB ALA 69 8.336 -0.293 1.408 536 3HB ALA 69 3HB ALA 69 6.754 -0.912 1.929 537 H SER 70 H SER 70 6.483 -0.611 5.080 538 HA SER 70 HA SER 70 8.814 -2.422 5.366 539 1HB SER 70 2HB SER 70 7.826 -0.591 7.593 540 2HB SER 70 3HB SER 70 8.835 -2.020 7.863 541 HG SER 70 HG SER 70 9.773 -0.298 5.905 542 H LEU 71 H LEU 71 7.762 -4.372 5.148 543 HA LEU 71 HA LEU 71 5.003 -4.876 5.789 544 1HB LEU 71 2HB LEU 71 7.420 -6.644 5.328 545 2HB LEU 71 3HB LEU 71 5.857 -7.293 5.826 546 HG LEU 71 HG LEU 71 4.751 -6.337 3.853 547 1HD1 LEU 71 1HD1 LEU 71 6.146 -5.537 1.936 548 2HD1 LEU 71 2HD1 LEU 71 6.150 -4.410 3.287 549 3HD1 LEU 71 3HD1 LEU 71 7.554 -5.469 3.013 550 1HD2 LEU 71 1HD2 LEU 71 7.200 -8.023 3.193 551 2HD2 LEU 71 2HD2 LEU 71 5.665 -8.644 3.833 552 3HD2 LEU 71 3HD2 LEU 71 5.718 -7.903 2.223 553 H VAL 72 H VAL 72 4.006 -5.300 7.661 554 HA VAL 72 HA VAL 72 5.653 -5.802 10.110 555 HB VAL 72 HB VAL 72 2.930 -4.437 9.892 556 1HG1 VAL 72 1HG1 VAL 72 3.241 -5.710 12.045 557 2HG1 VAL 72 2HG1 VAL 72 4.804 -4.902 12.254 558 3HG1 VAL 72 3HG1 VAL 72 3.300 -3.965 12.302 559 1HG2 VAL 72 1HG2 VAL 72 4.215 -2.460 10.713 560 2HG2 VAL 72 2HG2 VAL 72 5.720 -3.351 10.419 561 3HG2 VAL 72 3HG2 VAL 72 4.635 -2.952 9.068 562 H LYS 73 H LYS 73 2.171 -6.272 9.946 563 HA LYS 73 HA LYS 73 0.833 -8.040 10.087 564 1HB LYS 73 2HB LYS 73 3.095 -9.834 9.122 565 2HB LYS 73 3HB LYS 73 1.390 -10.242 9.281 566 1HG LYS 73 2HG LYS 73 0.759 -8.549 7.640 567 2HG LYS 73 3HG LYS 73 2.452 -8.021 7.489 568 1HD LYS 73 2HD LYS 73 3.093 -10.300 6.689 569 2HD LYS 73 3HD LYS 73 1.415 -10.828 6.877 570 1HE LYS 73 2HE LYS 73 1.838 -10.339 4.533 571 2HE LYS 73 3HE LYS 73 0.658 -9.206 5.200 572 1HZ LYS 73 1HZ LYS 73 2.341 -7.520 5.288 573 2HZ LYS 73 2HZ LYS 73 3.529 -8.593 4.893 574 3HZ LYS 73 3HZ LYS 73 2.375 -8.183 3.797 575 H ILE 74 H ILE 74 4.094 -8.905 11.316 576 HA ILE 74 HA ILE 74 2.872 -9.284 13.988 577 HB ILE 74 HB ILE 74 4.268 -11.049 14.577 578 1HG1 ILE 74 2HG1 ILE 74 6.370 -10.593 13.559 579 2HG1 ILE 74 3HG1 ILE 74 5.851 -12.222 13.155 580 1HG2 ILE 74 1HG2 ILE 74 3.508 -12.882 13.187 581 2HG2 ILE 74 2HG2 ILE 74 2.226 -11.677 13.400 582 3HG2 ILE 74 3HG2 ILE 74 3.104 -11.775 11.863 583 1HD1 ILE 74 1HD1 ILE 74 5.909 -9.806 11.318 584 2HD1 ILE 74 2HD1 ILE 74 6.857 -11.287 11.211 585 3HD1 ILE 74 3HD1 ILE 74 5.119 -11.341 10.875 586 H GLU 75 H GLU 75 4.650 -9.000 15.721 587 HA GLU 75 HA GLU 75 6.851 -7.280 15.067 588 1HB GLU 75 2HB GLU 75 4.577 -6.403 16.932 589 2HB GLU 75 3HB GLU 75 6.155 -5.622 16.789 590 1HG GLU 75 2HG GLU 75 5.672 -5.142 14.384 591 2HG GLU 75 3HG GLU 75 4.037 -5.805 14.598 Start of MODEL 16 1 1H MET 1 H1 MET 1 -8.850 -15.919 -4.041 2 2H MET 1 H2 MET 1 -9.661 -16.655 -2.796 3 3H MET 1 H3 MET 1 -8.328 -15.728 -2.518 4 HA MET 1 HA MET 1 -7.786 -18.008 -2.288 5 1HB MET 1 2HB MET 1 -9.446 -18.897 -3.861 6 2HB MET 1 3HB MET 1 -8.572 -18.210 -5.236 7 1HG MET 1 2HG MET 1 -6.625 -19.651 -4.717 8 2HG MET 1 3HG MET 1 -7.456 -20.266 -3.278 9 1HE MET 1 1HE MET 1 -6.936 -22.727 -4.030 10 2HE MET 1 2HE MET 1 -7.343 -23.370 -5.637 11 3HE MET 1 3HE MET 1 -6.102 -22.105 -5.478 12 H GLY 2 H GLY 2 -7.013 -16.876 -5.648 13 1HA GLY 2 2HA GLY 2 -4.181 -16.586 -5.030 14 2HA GLY 2 1HA GLY 2 -5.029 -16.129 -6.515 15 H ASP 3 H ASP 3 -4.900 -15.184 -3.030 16 HA ASP 3 HA ASP 3 -4.536 -12.381 -3.762 17 1HB ASP 3 2HB ASP 3 -6.393 -11.524 -2.562 18 2HB ASP 3 3HB ASP 3 -7.031 -12.697 -3.716 19 H GLY 4 H GLY 4 -3.823 -11.121 -1.927 20 1HA GLY 4 2HA GLY 4 -3.134 -12.580 0.573 21 2HA GLY 4 1HA GLY 4 -1.844 -11.811 -0.379 22 H VAL 5 H VAL 5 -2.378 -11.053 2.226 23 HA VAL 5 HA VAL 5 -3.674 -8.368 2.058 24 HB VAL 5 HB VAL 5 -3.791 -8.550 4.550 25 1HG1 VAL 5 1HG1 VAL 5 -5.836 -9.918 4.539 26 2HG1 VAL 5 2HG1 VAL 5 -5.755 -8.871 3.120 27 3HG1 VAL 5 3HG1 VAL 5 -5.382 -10.607 2.969 28 1HG2 VAL 5 1HG2 VAL 5 -2.247 -10.453 5.016 29 2HG2 VAL 5 2HG2 VAL 5 -3.876 -10.759 5.599 30 3HG2 VAL 5 3HG2 VAL 5 -3.323 -11.539 4.110 31 H LEU 6 H LEU 6 -2.042 -7.010 1.458 32 HA LEU 6 HA LEU 6 0.605 -7.290 2.752 33 1HB LEU 6 2HB LEU 6 -0.260 -6.371 0.202 34 2HB LEU 6 3HB LEU 6 0.328 -4.947 1.043 35 HG LEU 6 HG LEU 6 1.890 -7.565 0.893 36 1HD1 LEU 6 1HD1 LEU 6 1.588 -6.733 -1.355 37 2HD1 LEU 6 2HD1 LEU 6 2.012 -5.077 -0.849 38 3HD1 LEU 6 3HD1 LEU 6 3.242 -6.351 -0.813 39 1HD2 LEU 6 1HD2 LEU 6 2.520 -5.968 2.759 40 2HD2 LEU 6 2HD2 LEU 6 3.795 -6.182 1.548 41 3HD2 LEU 6 3HD2 LEU 6 2.781 -4.729 1.509 42 H GLU 7 H GLU 7 0.543 -6.566 4.794 43 HA GLU 7 HA GLU 7 -0.849 -3.996 5.412 44 1HB GLU 7 2HB GLU 7 -0.118 -6.344 7.164 45 2HB GLU 7 3HB GLU 7 -0.662 -4.774 7.778 46 1HG GLU 7 2HG GLU 7 -2.710 -4.865 6.521 47 2HG GLU 7 3HG GLU 7 -2.226 -6.347 5.691 48 H LEU 8 H LEU 8 0.547 -2.452 4.996 49 HA LEU 8 HA LEU 8 3.378 -2.700 5.933 50 1HB LEU 8 2HB LEU 8 2.068 -0.795 3.958 51 2HB LEU 8 3HB LEU 8 3.779 -0.793 4.392 52 HG LEU 8 HG LEU 8 2.325 -3.108 3.037 53 1HD1 LEU 8 1HD1 LEU 8 3.474 -2.382 0.985 54 2HD1 LEU 8 2HD1 LEU 8 2.374 -1.138 1.597 55 3HD1 LEU 8 3HD1 LEU 8 4.128 -0.971 1.843 56 1HD2 LEU 8 1HD2 LEU 8 4.729 -3.793 2.491 57 2HD2 LEU 8 2HD2 LEU 8 5.268 -2.579 3.662 58 3HD2 LEU 8 3HD2 LEU 8 4.265 -3.954 4.183 59 H VAL 9 H VAL 9 4.137 -1.116 7.374 60 HA VAL 9 HA VAL 9 2.350 1.035 8.278 61 HB VAL 9 HB VAL 9 4.845 -0.145 9.318 62 1HG1 VAL 9 1HG1 VAL 9 5.867 1.951 8.612 63 2HG1 VAL 9 2HG1 VAL 9 4.511 2.888 9.300 64 3HG1 VAL 9 3HG1 VAL 9 5.610 1.983 10.357 65 1HG2 VAL 9 1HG2 VAL 9 2.590 -0.094 10.473 66 2HG2 VAL 9 2HG2 VAL 9 3.894 0.632 11.430 67 3HG2 VAL 9 3HG2 VAL 9 2.733 1.672 10.588 68 H VAL 10 H VAL 10 2.470 2.978 7.140 69 HA VAL 10 HA VAL 10 4.321 3.117 4.821 70 HB VAL 10 HB VAL 10 2.091 2.998 4.124 71 1HG1 VAL 10 1HG1 VAL 10 0.808 3.593 6.092 72 2HG1 VAL 10 2HG1 VAL 10 1.348 5.274 6.014 73 3HG1 VAL 10 3HG1 VAL 10 0.328 4.598 4.732 74 1HG2 VAL 10 1HG2 VAL 10 2.952 5.897 4.040 75 2HG2 VAL 10 2HG2 VAL 10 3.631 4.596 3.037 76 3HG2 VAL 10 3HG2 VAL 10 1.920 5.043 2.877 77 H ARG 11 H ARG 11 6.070 3.905 5.848 78 HA ARG 11 HA ARG 11 5.825 5.940 7.993 79 1HB ARG 11 2HB ARG 11 8.306 5.497 8.192 80 2HB ARG 11 3HB ARG 11 7.275 4.099 8.518 81 1HG ARG 11 2HG ARG 11 7.806 3.039 6.459 82 2HG ARG 11 3HG ARG 11 8.340 4.547 5.736 83 1HD ARG 11 2HD ARG 11 10.315 3.425 6.038 84 2HD ARG 11 3HD ARG 11 10.316 4.525 7.381 85 HE ARG 11 HE ARG 11 9.724 1.562 7.311 86 1HH1 ARG 11 2HH2 ARG 11 10.419 4.334 9.390 87 2HH1 ARG 11 1HH2 ARG 11 10.813 3.361 10.777 88 1HH2 ARG 11 2HH1 ARG 11 10.208 0.332 8.948 89 2HH2 ARG 11 1HH1 ARG 11 10.682 0.928 10.537 90 H GLY 12 H GLY 12 4.929 7.277 5.967 91 1HA GLY 12 2HA GLY 12 7.015 9.203 5.274 92 2HA GLY 12 1HA GLY 12 6.602 8.157 3.907 93 H MET 13 H MET 13 3.792 7.881 4.314 94 HA MET 13 HA MET 13 2.861 10.290 3.148 95 1HB MET 13 2HB MET 13 0.706 9.228 3.148 96 2HB MET 13 3HB MET 13 1.928 7.987 2.871 97 1HG MET 13 2HG MET 13 0.473 6.992 4.399 98 2HG MET 13 3HG MET 13 1.745 7.634 5.447 99 1HE MET 13 1HE MET 13 -0.445 6.986 7.245 100 2HE MET 13 2HE MET 13 0.896 8.111 7.609 101 3HE MET 13 3HE MET 13 -0.768 8.577 7.998 102 H THR 14 H THR 14 2.134 12.159 4.041 103 HA THR 14 HA THR 14 2.413 12.470 6.956 104 HB THR 14 HB THR 14 2.199 14.895 6.298 105 HG1 THR 14 1HG THR 14 2.308 15.253 4.007 106 1HG2 THR 14 1HG2 THR 14 4.401 15.014 5.197 107 2HG2 THR 14 2HG2 THR 14 4.425 13.763 6.454 108 3HG2 THR 14 3HG2 THR 14 4.303 13.302 4.745 109 H CYS 15 H CYS 15 0.057 13.379 4.462 110 HA CYS 15 HA CYS 15 -2.062 13.650 6.573 111 1HB CYS 15 2HB CYS 15 -2.579 15.788 5.641 112 2HB CYS 15 3HB CYS 15 -0.838 15.728 5.878 113 H ALA 16 H ALA 16 -4.213 14.246 5.497 114 HA ALA 16 HA ALA 16 -5.421 12.101 4.281 115 1HB ALA 16 1HB ALA 16 -6.138 15.044 3.951 116 2HB ALA 16 2HB ALA 16 -7.208 13.672 3.611 117 3HB ALA 16 3HB ALA 16 -6.658 13.971 5.275 118 H SER 17 H SER 17 -3.848 14.867 2.677 119 HA SER 17 HA SER 17 -4.581 14.320 0.007 120 1HB SER 17 2HB SER 17 -3.423 16.406 0.881 121 2HB SER 17 3HB SER 17 -1.907 15.483 0.851 122 HG SER 17 HG SER 17 -3.642 15.860 -1.371 123 H CYS 18 H CYS 18 -1.855 13.094 2.034 124 HA CYS 18 HA CYS 18 -0.670 11.597 -0.137 125 1HB CYS 18 2HB CYS 18 -0.198 11.432 2.841 126 2HB CYS 18 3HB CYS 18 0.723 10.642 1.554 127 H VAL 19 H VAL 19 -2.852 10.899 2.600 128 HA VAL 19 HA VAL 19 -3.055 8.104 2.272 129 HB VAL 19 HB VAL 19 -5.140 10.114 3.195 130 1HG1 VAL 19 1HG1 VAL 19 -6.204 7.899 2.555 131 2HG1 VAL 19 2HG1 VAL 19 -5.147 7.155 3.783 132 3HG1 VAL 19 3HG1 VAL 19 -6.347 8.357 4.256 133 1HG2 VAL 19 1HG2 VAL 19 -3.062 10.039 4.585 134 2HG2 VAL 19 2HG2 VAL 19 -4.443 9.353 5.445 135 3HG2 VAL 19 3HG2 VAL 19 -3.232 8.282 4.722 136 H HIS 20 H HIS 20 -5.380 10.538 0.823 137 HA HIS 20 HA HIS 20 -6.462 8.362 -0.753 138 1HB HIS 20 2HB HIS 20 -8.097 9.658 -1.539 139 2HB HIS 20 3HB HIS 20 -7.790 10.336 0.056 140 HD1 HIS 20 1HD HIS 20 -8.995 11.714 -2.821 141 HD2 HIS 20 2HD HIS 20 -5.493 12.383 -0.636 142 HE1 HIS 20 1HE HIS 20 -8.249 14.097 -3.356 143 H LYS 21 H LYS 21 -3.874 10.688 -1.397 144 HA LYS 21 HA LYS 21 -3.537 10.207 -4.178 145 1HB LYS 21 2HB LYS 21 -2.267 11.889 -3.069 146 2HB LYS 21 3HB LYS 21 -1.657 10.714 -1.893 147 1HG LYS 21 2HG LYS 21 -0.258 9.663 -3.587 148 2HG LYS 21 3HG LYS 21 -0.816 10.840 -4.801 149 1HD LYS 21 2HD LYS 21 0.126 12.697 -3.549 150 2HD LYS 21 3HD LYS 21 0.348 11.697 -2.116 151 1HE LYS 21 2HE LYS 21 1.985 10.284 -3.515 152 2HE LYS 21 3HE LYS 21 1.986 11.636 -4.664 153 1HZ LYS 21 1HZ LYS 21 2.725 13.039 -2.806 154 2HZ LYS 21 2HZ LYS 21 2.757 11.731 -1.807 155 3HZ LYS 21 3HZ LYS 21 3.777 11.806 -3.087 156 H ILE 22 H ILE 22 -2.266 8.337 -1.312 157 HA ILE 22 HA ILE 22 -1.090 6.245 -2.824 158 HB ILE 22 HB ILE 22 -2.313 6.229 -0.036 159 1HG1 ILE 22 2HG1 ILE 22 0.565 5.939 -0.958 160 2HG1 ILE 22 3HG1 ILE 22 -0.165 7.512 -0.601 161 1HG2 ILE 22 1HG2 ILE 22 -1.232 4.003 0.270 162 2HG2 ILE 22 2HG2 ILE 22 -2.505 3.920 -0.925 163 3HG2 ILE 22 3HG2 ILE 22 -0.806 3.980 -1.443 164 1HD1 ILE 22 1HD1 ILE 22 -0.580 6.824 1.723 165 2HD1 ILE 22 2HD1 ILE 22 0.163 5.237 1.396 166 3HD1 ILE 22 3HD1 ILE 22 1.136 6.700 1.270 167 H GLU 23 H GLU 23 -4.390 6.223 -1.300 168 HA GLU 23 HA GLU 23 -5.049 3.767 -2.467 169 1HB GLU 23 2HB GLU 23 -7.044 5.958 -1.723 170 2HB GLU 23 3HB GLU 23 -7.379 4.235 -1.978 171 1HG GLU 23 2HG GLU 23 -5.499 3.829 -0.226 172 2HG GLU 23 3HG GLU 23 -5.756 5.536 0.210 173 H SER 24 H SER 24 -5.853 7.029 -3.797 174 HA SER 24 HA SER 24 -7.163 5.969 -6.077 175 1HB SER 24 2HB SER 24 -7.323 8.335 -5.412 176 2HB SER 24 3HB SER 24 -5.666 8.602 -5.980 177 HG SER 24 HG SER 24 -7.265 9.060 -7.589 178 H SER 25 H SER 25 -3.617 6.524 -5.461 179 HA SER 25 HA SER 25 -2.941 6.250 -8.270 180 1HB SER 25 2HB SER 25 -1.478 7.389 -6.620 181 2HB SER 25 3HB SER 25 -1.223 5.854 -5.773 182 HG SER 25 HG SER 25 -0.559 6.399 -8.493 183 H LEU 26 H LEU 26 -2.723 4.125 -5.411 184 HA LEU 26 HA LEU 26 -1.822 1.855 -6.760 185 1HB LEU 26 2HB LEU 26 -3.099 2.451 -4.117 186 2HB LEU 26 3HB LEU 26 -3.129 0.798 -4.648 187 HG LEU 26 HG LEU 26 -1.273 1.188 -3.255 188 1HD1 LEU 26 1HD1 LEU 26 0.471 0.120 -4.408 189 2HD1 LEU 26 2HD1 LEU 26 -1.041 -0.455 -5.132 190 3HD1 LEU 26 3HD1 LEU 26 -0.042 0.750 -5.971 191 1HD2 LEU 26 1HD2 LEU 26 -0.194 3.164 -5.318 192 2HD2 LEU 26 2HD2 LEU 26 -0.831 3.588 -3.720 193 3HD2 LEU 26 3HD2 LEU 26 0.651 2.628 -3.853 194 H THR 27 H THR 27 -5.221 2.782 -6.003 195 HA THR 27 HA THR 27 -6.384 0.364 -6.889 196 HB THR 27 HB THR 27 -8.470 1.733 -7.248 197 HG1 THR 27 1HG THR 27 -6.881 3.820 -6.200 198 1HG2 THR 27 1HG2 THR 27 -6.994 1.907 -4.595 199 2HG2 THR 27 2HG2 THR 27 -8.695 2.366 -4.831 200 3HG2 THR 27 3HG2 THR 27 -8.171 0.702 -5.132 201 H LYS 28 H LYS 28 -4.806 2.737 -8.896 202 HA LYS 28 HA LYS 28 -6.347 2.094 -11.280 203 1HB LYS 28 2HB LYS 28 -3.503 3.117 -11.105 204 2HB LYS 28 3HB LYS 28 -4.566 3.159 -12.511 205 1HG LYS 28 2HG LYS 28 -4.892 4.684 -9.914 206 2HG LYS 28 3HG LYS 28 -4.390 5.358 -11.448 207 1HD LYS 28 2HD LYS 28 -6.563 5.017 -12.434 208 2HD LYS 28 3HD LYS 28 -7.169 4.129 -11.033 209 1HE LYS 28 2HE LYS 28 -6.171 6.991 -10.774 210 2HE LYS 28 3HE LYS 28 -7.830 6.643 -11.279 211 1HZ LYS 28 1HZ LYS 28 -8.286 5.638 -9.218 212 2HZ LYS 28 2HZ LYS 28 -6.705 5.528 -8.817 213 3HZ LYS 28 3HZ LYS 28 -7.411 6.984 -8.794 214 H HIS 29 H HIS 29 -3.773 0.414 -9.458 215 HA HIS 29 HA HIS 29 -3.202 -1.307 -11.801 216 1HB HIS 29 2HB HIS 29 -2.290 -1.750 -8.967 217 2HB HIS 29 3HB HIS 29 -1.555 -2.313 -10.466 218 HD1 HIS 29 1HD HIS 29 -1.103 0.387 -12.011 219 HD2 HIS 29 2HD HIS 29 -1.056 0.043 -7.845 220 HE1 HIS 29 1HE HIS 29 -0.001 2.517 -11.112 221 H ARG 30 H ARG 30 -5.011 -2.570 -12.283 222 HA ARG 30 HA ARG 30 -6.930 -3.480 -10.450 223 1HB ARG 30 2HB ARG 30 -5.993 -4.805 -13.040 224 2HB ARG 30 3HB ARG 30 -7.467 -5.225 -12.155 225 1HG ARG 30 2HG ARG 30 -8.318 -2.909 -12.453 226 2HG ARG 30 3HG ARG 30 -6.889 -2.516 -13.435 227 1HD ARG 30 2HD ARG 30 -7.469 -4.339 -15.012 228 2HD ARG 30 3HD ARG 30 -8.890 -4.746 -14.014 229 HE ARG 30 HE ARG 30 -9.027 -2.000 -14.723 230 1HH1 ARG 30 2HH2 ARG 30 -9.278 -5.185 -16.200 231 2HH1 ARG 30 1HH2 ARG 30 -10.372 -4.713 -17.462 232 1HH2 ARG 30 2HH1 ARG 30 -10.493 -1.311 -16.391 233 2HH2 ARG 30 1HH1 ARG 30 -11.075 -2.442 -17.568 234 H GLY 31 H GLY 31 -3.693 -4.690 -10.751 235 1HA GLY 31 2HA GLY 31 -4.096 -7.323 -9.695 236 2HA GLY 31 1HA GLY 31 -2.618 -6.365 -9.610 237 H ILE 32 H ILE 32 -4.219 -4.078 -8.161 238 HA ILE 32 HA ILE 32 -4.214 -5.371 -5.511 239 HB ILE 32 HB ILE 32 -4.078 -3.432 -4.459 240 1HG1 ILE 32 2HG1 ILE 32 -4.059 -1.178 -5.465 241 2HG1 ILE 32 3HG1 ILE 32 -4.830 -1.824 -6.913 242 1HG2 ILE 32 1HG2 ILE 32 -2.040 -4.178 -5.681 243 2HG2 ILE 32 2HG2 ILE 32 -2.362 -2.921 -6.895 244 3HG2 ILE 32 3HG2 ILE 32 -2.049 -2.476 -5.206 245 1HD1 ILE 32 1HD1 ILE 32 -6.049 -2.331 -4.177 246 2HD1 ILE 32 2HD1 ILE 32 -6.245 -0.761 -4.953 247 3HD1 ILE 32 3HD1 ILE 32 -6.852 -2.205 -5.764 248 H LEU 33 H LEU 33 -6.052 -5.359 -4.257 249 HA LEU 33 HA LEU 33 -8.558 -5.559 -5.878 250 1HB LEU 33 2HB LEU 33 -7.754 -6.988 -3.326 251 2HB LEU 33 3HB LEU 33 -9.173 -7.319 -4.324 252 HG LEU 33 HG LEU 33 -6.261 -7.717 -5.188 253 1HD1 LEU 33 1HD1 LEU 33 -6.738 -10.104 -4.991 254 2HD1 LEU 33 2HD1 LEU 33 -6.960 -9.284 -3.435 255 3HD1 LEU 33 3HD1 LEU 33 -8.379 -9.750 -4.403 256 1HD2 LEU 33 1HD2 LEU 33 -7.251 -8.961 -7.097 257 2HD2 LEU 33 2HD2 LEU 33 -8.870 -8.427 -6.597 258 3HD2 LEU 33 3HD2 LEU 33 -7.658 -7.244 -7.146 259 H TYR 34 H TYR 34 -7.163 -4.414 -2.764 260 HA TYR 34 HA TYR 34 -9.265 -2.434 -2.571 261 1HB TYR 34 2HB TYR 34 -10.292 -4.483 -1.463 262 2HB TYR 34 3HB TYR 34 -8.901 -4.513 -0.371 263 HD1 TYR 34 HD1 TYR 34 -9.491 -3.905 1.779 264 HD2 TYR 34 HD2 TYR 34 -11.291 -1.821 -1.546 265 HE1 TYR 34 HE1 TYR 34 -10.786 -2.508 3.348 266 HE2 TYR 34 HE2 TYR 34 -12.506 -0.363 0.032 267 HH TYR 34 HH TYR 34 -12.892 0.157 2.248 268 H CYS 35 H CYS 35 -8.610 -0.760 -1.114 269 HA CYS 35 HA CYS 35 -5.910 -1.005 0.122 270 1HB CYS 35 2HB CYS 35 -7.034 1.299 -1.522 271 2HB CYS 35 3HB CYS 35 -5.670 1.455 -0.401 272 HG CYS 35 HG CYS 35 -4.759 1.393 -2.789 273 H SER 36 H SER 36 -5.821 -0.111 2.149 274 HA SER 36 HA SER 36 -7.887 1.757 3.128 275 1HB SER 36 2HB SER 36 -7.501 -1.024 4.259 276 2HB SER 36 3HB SER 36 -8.179 0.329 5.202 277 HG SER 36 HG SER 36 -9.251 -0.089 2.678 278 H VAL 37 H VAL 37 -6.098 3.156 3.038 279 HA VAL 37 HA VAL 37 -3.858 2.664 4.888 280 HB VAL 37 HB VAL 37 -3.465 5.271 4.266 281 1HG1 VAL 37 1HG1 VAL 37 -1.992 4.540 2.443 282 2HG1 VAL 37 2HG1 VAL 37 -1.791 3.600 3.915 283 3HG1 VAL 37 3HG1 VAL 37 -2.691 2.907 2.538 284 1HG2 VAL 37 1HG2 VAL 37 -4.034 5.778 2.020 285 2HG2 VAL 37 2HG2 VAL 37 -4.607 4.130 1.742 286 3HG2 VAL 37 3HG2 VAL 37 -5.554 5.236 2.773 287 H ALA 38 H ALA 38 -3.308 4.105 6.635 288 HA ALA 38 HA ALA 38 -5.475 5.756 7.733 289 1HB ALA 38 1HB ALA 38 -4.401 3.358 9.268 290 2HB ALA 38 2HB ALA 38 -5.521 4.578 9.890 291 3HB ALA 38 3HB ALA 38 -6.050 3.484 8.579 292 H LEU 39 H LEU 39 -4.726 7.255 9.138 293 HA LEU 39 HA LEU 39 -1.830 7.558 9.583 294 1HB LEU 39 2HB LEU 39 -4.047 9.385 10.578 295 2HB LEU 39 3HB LEU 39 -2.339 9.733 10.349 296 HG LEU 39 HG LEU 39 -3.137 9.032 7.758 297 1HD1 LEU 39 1HD1 LEU 39 -5.388 10.620 9.093 298 2HD1 LEU 39 2HD1 LEU 39 -5.209 10.368 7.353 299 3HD1 LEU 39 3HD1 LEU 39 -5.540 8.988 8.411 300 1HD2 LEU 39 1HD2 LEU 39 -2.999 11.419 7.283 301 2HD2 LEU 39 2HD2 LEU 39 -3.127 11.795 9.018 302 3HD2 LEU 39 3HD2 LEU 39 -1.711 10.920 8.392 303 H ALA 40 H ALA 40 -4.884 7.040 11.290 304 HA ALA 40 HA ALA 40 -4.051 7.119 13.952 305 1HB ALA 40 1HB ALA 40 -6.155 5.340 12.654 306 2HB ALA 40 2HB ALA 40 -6.065 5.760 14.379 307 3HB ALA 40 3HB ALA 40 -6.403 7.025 13.180 308 H THR 41 H THR 41 -3.225 4.730 11.568 309 HA THR 41 HA THR 41 -1.666 3.333 13.652 310 HB THR 41 HB THR 41 -3.296 1.747 11.643 311 HG1 THR 41 1HG THR 41 -4.018 2.862 14.070 312 1HG2 THR 41 1HG2 THR 41 -1.962 0.999 14.280 313 2HG2 THR 41 2HG2 THR 41 -2.984 -0.071 13.299 314 3HG2 THR 41 3HG2 THR 41 -1.431 0.483 12.662 315 H ASN 42 H ASN 42 -1.236 5.297 11.418 316 HA ASN 42 HA ASN 42 -0.044 5.612 9.461 317 1HB ASN 42 2HB ASN 42 1.922 4.284 11.372 318 2HB ASN 42 3HB ASN 42 2.361 5.342 10.014 319 1HD2 ASN 42 1HD2 ASN 42 0.997 7.494 9.969 320 2HD2 ASN 42 2HD2 ASN 42 0.694 8.204 11.539 321 H LYS 43 H LYS 43 -1.454 3.579 8.481 322 HA LYS 43 HA LYS 43 0.500 1.603 7.524 323 1HB LYS 43 2HB LYS 43 -0.898 -0.314 8.181 324 2HB LYS 43 3HB LYS 43 -0.388 0.605 9.574 325 1HG LYS 43 2HG LYS 43 -2.619 0.054 9.966 326 2HG LYS 43 3HG LYS 43 -2.665 1.769 9.517 327 1HD LYS 43 2HD LYS 43 -3.578 1.261 7.342 328 2HD LYS 43 3HD LYS 43 -3.161 -0.467 7.509 329 1HE LYS 43 2HE LYS 43 -4.881 -0.568 9.376 330 2HE LYS 43 3HE LYS 43 -5.290 1.114 9.018 331 1HZ LYS 43 1HZ LYS 43 -6.784 -0.248 7.843 332 2HZ LYS 43 2HZ LYS 43 -5.753 0.353 6.697 333 3HZ LYS 43 3HZ LYS 43 -5.591 -1.190 7.218 334 H ALA 44 H ALA 44 -0.475 0.053 6.056 335 HA ALA 44 HA ALA 44 -2.701 1.029 4.376 336 1HB ALA 44 1HB ALA 44 0.001 0.182 3.278 337 2HB ALA 44 2HB ALA 44 -1.422 0.758 2.379 338 3HB ALA 44 3HB ALA 44 -0.505 1.868 3.440 339 H HIS 45 H HIS 45 -4.056 -0.623 4.694 340 HA HIS 45 HA HIS 45 -3.071 -3.454 4.452 341 1HB HIS 45 2HB HIS 45 -4.661 -3.018 6.283 342 2HB HIS 45 3HB HIS 45 -5.823 -2.378 5.109 343 HD1 HIS 45 1HD HIS 45 -4.923 -5.601 6.765 344 HD2 HIS 45 2HD HIS 45 -6.337 -4.317 2.996 345 HE1 HIS 45 1HE HIS 45 -6.028 -7.595 5.686 346 H ILE 46 H ILE 46 -2.739 -3.944 2.420 347 HA ILE 46 HA ILE 46 -4.551 -2.897 0.319 348 HB ILE 46 HB ILE 46 -1.551 -3.348 0.146 349 1HG1 ILE 46 2HG1 ILE 46 -3.296 -0.841 -0.058 350 2HG1 ILE 46 3HG1 ILE 46 -2.210 -1.245 1.278 351 1HG2 ILE 46 1HG2 ILE 46 -3.560 -2.500 -1.998 352 2HG2 ILE 46 2HG2 ILE 46 -1.804 -2.665 -2.220 353 3HG2 ILE 46 3HG2 ILE 46 -2.780 -4.089 -1.911 354 1HD1 ILE 46 1HD1 ILE 46 -1.164 0.402 -0.133 355 2HD1 ILE 46 2HD1 ILE 46 -0.271 -1.128 -0.226 356 3HD1 ILE 46 3HD1 ILE 46 -1.343 -0.621 -1.563 357 H LYS 47 H LYS 47 -5.743 -4.549 -0.285 358 HA LYS 47 HA LYS 47 -4.837 -7.364 0.022 359 1HB LYS 47 2HB LYS 47 -7.382 -5.961 -0.770 360 2HB LYS 47 3HB LYS 47 -7.163 -7.673 -1.099 361 1HG LYS 47 2HG LYS 47 -6.383 -7.202 1.637 362 2HG LYS 47 3HG LYS 47 -7.884 -6.334 1.392 363 1HD LYS 47 2HD LYS 47 -8.272 -8.597 2.226 364 2HD LYS 47 3HD LYS 47 -9.010 -8.384 0.629 365 1HE LYS 47 2HE LYS 47 -7.297 -9.717 -0.456 366 2HE LYS 47 3HE LYS 47 -6.232 -9.621 0.941 367 1HZ LYS 47 1HZ LYS 47 -8.788 -11.080 0.816 368 2HZ LYS 47 2HZ LYS 47 -7.314 -11.727 0.657 369 3HZ LYS 47 3HZ LYS 47 -7.748 -11.073 2.106 370 H TYR 48 H TYR 48 -4.041 -8.496 -1.750 371 HA TYR 48 HA TYR 48 -4.112 -7.191 -4.414 372 1HB TYR 48 2HB TYR 48 -1.785 -7.017 -4.602 373 2HB TYR 48 3HB TYR 48 -2.216 -6.238 -3.081 374 HD1 TYR 48 HD1 TYR 48 -2.000 -7.738 -0.900 375 HD2 TYR 48 HD2 TYR 48 -0.048 -8.610 -4.642 376 HE1 TYR 48 HE1 TYR 48 -0.416 -9.250 0.268 377 HE2 TYR 48 HE2 TYR 48 1.613 -9.993 -3.448 378 HH TYR 48 HH TYR 48 2.133 -11.045 -1.455 379 H ASP 49 H ASP 49 -3.617 -8.494 -6.129 380 HA ASP 49 HA ASP 49 -3.713 -11.397 -5.779 381 1HB ASP 49 2HB ASP 49 -4.969 -10.383 -7.575 382 2HB ASP 49 3HB ASP 49 -3.516 -9.590 -8.202 383 HA PRO 50 HA PRO 50 0.784 -10.925 -5.390 384 1HB PRO 50 2HB PRO 50 1.489 -13.460 -4.722 385 2HB PRO 50 3HB PRO 50 0.585 -12.392 -3.608 386 1HG PRO 50 2HG PRO 50 -0.552 -14.510 -5.448 387 2HG PRO 50 3HG PRO 50 -0.881 -14.278 -3.701 388 1HD PRO 50 2HD PRO 50 -2.523 -13.292 -5.646 389 2HD PRO 50 3HD PRO 50 -2.228 -12.390 -4.121 390 H GLU 51 H GLU 51 -0.872 -12.673 -7.899 391 HA GLU 51 HA GLU 51 1.641 -13.585 -9.188 392 1HB GLU 51 2HB GLU 51 -1.290 -13.949 -9.956 393 2HB GLU 51 3HB GLU 51 0.115 -14.635 -10.783 394 1HG GLU 51 2HG GLU 51 0.723 -15.865 -8.689 395 2HG GLU 51 3HG GLU 51 -0.726 -15.212 -7.903 396 H ILE 52 H ILE 52 -1.172 -11.412 -9.594 397 HA ILE 52 HA ILE 52 -0.133 -10.210 -12.031 398 HB ILE 52 HB ILE 52 -2.299 -9.250 -10.134 399 1HG1 ILE 52 2HG1 ILE 52 -2.473 -10.758 -12.792 400 2HG1 ILE 52 3HG1 ILE 52 -2.707 -11.492 -11.206 401 1HG2 ILE 52 1HG2 ILE 52 -1.660 -8.385 -12.993 402 2HG2 ILE 52 2HG2 ILE 52 -3.044 -7.830 -12.029 403 3HG2 ILE 52 3HG2 ILE 52 -1.418 -7.391 -11.545 404 1HD1 ILE 52 1HD1 ILE 52 -4.869 -11.099 -12.068 405 2HD1 ILE 52 2HD1 ILE 52 -4.617 -9.885 -10.801 406 3HD1 ILE 52 3HD1 ILE 52 -4.503 -9.429 -12.519 407 H ILE 53 H ILE 53 0.030 -9.303 -8.526 408 HA ILE 53 HA ILE 53 1.933 -7.117 -9.204 409 HB ILE 53 HB ILE 53 -0.603 -7.193 -7.584 410 1HG1 ILE 53 2HG1 ILE 53 -0.295 -5.991 -9.820 411 2HG1 ILE 53 3HG1 ILE 53 -1.026 -5.079 -8.488 412 1HG2 ILE 53 1HG2 ILE 53 1.796 -5.578 -6.695 413 2HG2 ILE 53 2HG2 ILE 53 0.103 -5.238 -6.255 414 3HG2 ILE 53 3HG2 ILE 53 0.850 -6.752 -5.760 415 1HD1 ILE 53 1HD1 ILE 53 1.014 -3.856 -8.079 416 2HD1 ILE 53 2HD1 ILE 53 1.907 -4.841 -9.262 417 3HD1 ILE 53 3HD1 ILE 53 0.611 -3.756 -9.797 418 H GLY 54 H GLY 54 3.905 -7.716 -8.407 419 1HA GLY 54 2HA GLY 54 4.167 -9.833 -6.440 420 2HA GLY 54 1HA GLY 54 5.431 -8.714 -7.000 421 HA PRO 55 HA PRO 55 3.264 -7.274 -2.920 422 1HB PRO 55 2HB PRO 55 5.102 -8.144 -0.999 423 2HB PRO 55 3HB PRO 55 3.609 -9.005 -1.447 424 1HG PRO 55 2HG PRO 55 6.413 -9.508 -2.456 425 2HG PRO 55 3HG PRO 55 5.203 -10.708 -1.928 426 1HD PRO 55 2HD PRO 55 5.621 -10.157 -4.562 427 2HD PRO 55 3HD PRO 55 3.973 -10.481 -3.956 428 H ARG 56 H ARG 56 6.686 -7.693 -3.765 429 HA ARG 56 HA ARG 56 7.687 -5.276 -2.748 430 1HB ARG 56 2HB ARG 56 9.153 -7.062 -3.415 431 2HB ARG 56 3HB ARG 56 8.555 -6.997 -5.081 432 1HG ARG 56 2HG ARG 56 10.760 -5.990 -4.946 433 2HG ARG 56 3HG ARG 56 9.524 -4.826 -5.413 434 1HD ARG 56 2HD ARG 56 9.491 -4.024 -2.999 435 2HD ARG 56 3HD ARG 56 10.921 -5.045 -2.718 436 HE ARG 56 HE ARG 56 11.390 -3.410 -5.007 437 1HH1 ARG 56 2HH2 ARG 56 10.659 -2.820 -1.579 438 2HH1 ARG 56 1HH2 ARG 56 11.186 -1.151 -1.656 439 1HH2 ARG 56 2HH1 ARG 56 12.411 -1.371 -4.950 440 2HH2 ARG 56 1HH1 ARG 56 12.000 -0.291 -3.641 441 H ASP 57 H ASP 57 5.619 -5.779 -5.612 442 HA ASP 57 HA ASP 57 6.471 -3.348 -6.921 443 1HB ASP 57 2HB ASP 57 4.010 -5.046 -7.405 444 2HB ASP 57 3HB ASP 57 4.611 -3.743 -8.436 445 H ILE 58 H ILE 58 3.827 -4.198 -4.718 446 HA ILE 58 HA ILE 58 2.532 -1.621 -4.775 447 HB ILE 58 HB ILE 58 2.752 -3.855 -2.751 448 1HG1 ILE 58 2HG1 ILE 58 0.272 -2.674 -4.052 449 2HG1 ILE 58 3HG1 ILE 58 1.318 -3.763 -4.965 450 1HG2 ILE 58 1HG2 ILE 58 2.593 -1.864 -1.346 451 2HG2 ILE 58 2HG2 ILE 58 1.282 -1.212 -2.355 452 3HG2 ILE 58 3HG2 ILE 58 1.031 -2.676 -1.379 453 1HD1 ILE 58 1HD1 ILE 58 1.047 -5.533 -3.336 454 2HD1 ILE 58 2HD1 ILE 58 0.024 -4.494 -2.310 455 3HD1 ILE 58 3HD1 ILE 58 -0.525 -4.967 -3.927 456 H ILE 59 H ILE 59 5.261 -2.936 -2.807 457 HA ILE 59 HA ILE 59 5.749 -0.509 -1.439 458 HB ILE 59 HB ILE 59 7.560 -2.851 -2.058 459 1HG1 ILE 59 2HG1 ILE 59 6.157 -2.183 0.564 460 2HG1 ILE 59 3HG1 ILE 59 5.341 -3.157 -0.660 461 1HG2 ILE 59 1HG2 ILE 59 8.906 -1.979 -0.146 462 2HG2 ILE 59 2HG2 ILE 59 8.839 -0.839 -1.497 463 3HG2 ILE 59 3HG2 ILE 59 7.836 -0.562 -0.067 464 1HD1 ILE 59 1HD1 ILE 59 6.402 -4.600 0.963 465 2HD1 ILE 59 2HD1 ILE 59 7.094 -4.813 -0.649 466 3HD1 ILE 59 3HD1 ILE 59 7.995 -3.912 0.597 467 H HIS 60 H HIS 60 7.128 -1.755 -4.556 468 HA HIS 60 HA HIS 60 8.826 0.403 -5.165 469 1HB HIS 60 2HB HIS 60 7.037 -1.206 -7.072 470 2HB HIS 60 3HB HIS 60 8.225 -0.032 -7.575 471 HD1 HIS 60 1HD HIS 60 8.239 -3.506 -7.875 472 HD2 HIS 60 2HD HIS 60 10.752 -0.608 -6.114 473 HE1 HIS 60 1HE HIS 60 10.576 -4.484 -7.824 474 H THR 61 H THR 61 5.275 0.122 -5.496 475 HA THR 61 HA THR 61 5.032 2.580 -6.979 476 HB THR 61 HB THR 61 2.883 1.180 -5.328 477 HG1 THR 61 1HG THR 61 3.911 -0.214 -6.868 478 1HG2 THR 61 1HG2 THR 61 1.409 2.182 -7.087 479 2HG2 THR 61 2HG2 THR 61 2.203 3.405 -6.087 480 3HG2 THR 61 3HG2 THR 61 2.798 3.065 -7.728 481 H ILE 62 H ILE 62 4.463 1.718 -3.544 482 HA ILE 62 HA ILE 62 3.890 4.261 -2.507 483 HB ILE 62 HB ILE 62 5.240 1.806 -1.372 484 1HG1 ILE 62 2HG1 ILE 62 2.505 3.026 -0.800 485 2HG1 ILE 62 3HG1 ILE 62 2.773 1.847 -2.092 486 1HG2 ILE 62 1HG2 ILE 62 4.853 2.769 0.908 487 2HG2 ILE 62 2HG2 ILE 62 6.014 3.735 0.016 488 3HG2 ILE 62 3HG2 ILE 62 4.321 4.280 0.173 489 1HD1 ILE 62 1HD1 ILE 62 1.925 0.672 -0.201 490 2HD1 ILE 62 2HD1 ILE 62 3.628 0.220 -0.408 491 3HD1 ILE 62 3HD1 ILE 62 3.149 1.351 0.881 492 H GLU 63 H GLU 63 7.138 2.712 -2.769 493 HA GLU 63 HA GLU 63 8.724 4.880 -1.933 494 1HB GLU 63 2HB GLU 63 9.221 2.670 -3.964 495 2HB GLU 63 3HB GLU 63 10.465 3.804 -3.433 496 1HG GLU 63 2HG GLU 63 10.307 3.052 -1.139 497 2HG GLU 63 3HG GLU 63 8.920 2.023 -1.502 498 H SER 64 H SER 64 7.634 4.022 -5.237 499 HA SER 64 HA SER 64 8.931 6.161 -6.526 500 1HB SER 64 2HB SER 64 8.120 4.087 -7.648 501 2HB SER 64 3HB SER 64 6.454 4.684 -7.485 502 HG SER 64 HG SER 64 7.455 6.661 -8.582 503 H LEU 65 H LEU 65 5.718 6.159 -4.904 504 HA LEU 65 HA LEU 65 4.962 8.707 -6.049 505 1HB LEU 65 2HB LEU 65 4.086 7.097 -3.649 506 2HB LEU 65 3HB LEU 65 3.598 8.779 -3.814 507 HG LEU 65 HG LEU 65 1.864 7.420 -4.566 508 1HD1 LEU 65 1HD1 LEU 65 2.340 9.560 -5.858 509 2HD1 LEU 65 2HD1 LEU 65 3.043 8.541 -7.134 510 3HD1 LEU 65 3HD1 LEU 65 1.343 8.357 -6.692 511 1HD2 LEU 65 1HD2 LEU 65 1.971 5.936 -6.524 512 2HD2 LEU 65 2HD2 LEU 65 3.734 6.117 -6.551 513 3HD2 LEU 65 3HD2 LEU 65 2.913 5.396 -5.131 514 H GLY 66 H GLY 66 5.533 8.485 -2.523 515 1HA GLY 66 2HA GLY 66 7.925 10.073 -2.651 516 2HA GLY 66 1HA GLY 66 6.540 11.086 -2.202 517 H PHE 67 H PHE 67 7.328 7.629 -1.372 518 HA PHE 67 HA PHE 67 6.961 8.349 1.515 519 1HB PHE 67 2HB PHE 67 5.560 6.133 0.040 520 2HB PHE 67 3HB PHE 67 5.245 6.656 1.691 521 HD1 PHE 67 1HD PHE 67 3.668 6.496 -1.278 522 HD2 PHE 67 2HD PHE 67 4.878 9.546 1.524 523 HE1 PHE 67 1HE PHE 67 1.747 7.890 -1.958 524 HE2 PHE 67 2HE PHE 67 2.982 10.943 0.824 525 HZ PHE 67 HZ PHE 67 1.265 9.997 -0.727 526 H GLU 68 H GLU 68 7.165 6.170 2.806 527 HA GLU 68 HA GLU 68 8.998 4.202 1.605 528 1HB GLU 68 2HB GLU 68 9.408 5.671 4.256 529 2HB GLU 68 3HB GLU 68 10.108 4.078 3.887 530 1HG GLU 68 2HG GLU 68 11.346 5.063 2.017 531 2HG GLU 68 3HG GLU 68 10.675 6.660 2.406 532 H ALA 69 H ALA 69 8.862 2.173 2.930 533 HA ALA 69 HA ALA 69 6.434 1.955 4.601 534 1HB ALA 69 1HB ALA 69 5.753 1.304 2.335 535 2HB ALA 69 2HB ALA 69 7.113 0.165 2.233 536 3HB ALA 69 3HB ALA 69 5.799 -0.113 3.393 537 H SER 70 H SER 70 6.328 -0.094 5.803 538 HA SER 70 HA SER 70 8.543 -1.959 5.620 539 1HB SER 70 2HB SER 70 7.864 -0.683 8.317 540 2HB SER 70 3HB SER 70 8.970 -2.045 8.052 541 HG SER 70 HG SER 70 9.803 -0.217 6.408 542 H LEU 71 H LEU 71 7.781 -4.081 6.586 543 HA LEU 71 HA LEU 71 4.897 -4.388 6.269 544 1HB LEU 71 2HB LEU 71 7.099 -6.289 7.150 545 2HB LEU 71 3HB LEU 71 5.390 -6.711 6.990 546 HG LEU 71 HG LEU 71 5.379 -6.248 4.616 547 1HD1 LEU 71 1HD1 LEU 71 8.346 -5.607 4.941 548 2HD1 LEU 71 2HD1 LEU 71 7.572 -5.996 3.393 549 3HD1 LEU 71 3HD1 LEU 71 7.079 -4.549 4.263 550 1HD2 LEU 71 1HD2 LEU 71 6.739 -8.178 3.946 551 2HD2 LEU 71 2HD2 LEU 71 7.671 -8.074 5.455 552 3HD2 LEU 71 3HD2 LEU 71 5.948 -8.491 5.498 553 H VAL 72 H VAL 72 3.344 -4.768 7.865 554 HA VAL 72 HA VAL 72 3.863 -3.680 10.511 555 HB VAL 72 HB VAL 72 1.479 -5.182 9.333 556 1HG1 VAL 72 1HG1 VAL 72 1.749 -3.773 12.028 557 2HG1 VAL 72 2HG1 VAL 72 0.222 -4.321 11.308 558 3HG1 VAL 72 3HG1 VAL 72 1.443 -5.505 11.775 559 1HG2 VAL 72 1HG2 VAL 72 1.881 -2.240 10.015 560 2HG2 VAL 72 2HG2 VAL 72 1.933 -2.930 8.387 561 3HG2 VAL 72 3HG2 VAL 72 0.424 -2.966 9.306 562 H LYS 73 H LYS 73 2.818 -6.931 9.449 563 HA LYS 73 HA LYS 73 4.032 -8.161 11.848 564 1HB LYS 73 2HB LYS 73 2.985 -10.178 11.206 565 2HB LYS 73 3HB LYS 73 1.778 -8.903 11.196 566 1HG LYS 73 2HG LYS 73 3.114 -10.050 8.685 567 2HG LYS 73 3HG LYS 73 1.624 -10.640 9.404 568 1HD LYS 73 2HD LYS 73 0.747 -8.183 9.143 569 2HD LYS 73 3HD LYS 73 2.083 -8.013 7.978 570 1HE LYS 73 2HE LYS 73 -0.181 -10.067 7.861 571 2HE LYS 73 3HE LYS 73 -0.055 -8.603 6.897 572 1HZ LYS 73 1HZ LYS 73 1.733 -10.964 6.699 573 2HZ LYS 73 2HZ LYS 73 0.763 -10.302 5.539 574 3HZ LYS 73 3HZ LYS 73 2.154 -9.593 6.091 575 H ILE 74 H ILE 74 5.411 -10.148 11.425 576 HA ILE 74 HA ILE 74 7.364 -9.731 9.274 577 HB ILE 74 HB ILE 74 8.294 -11.868 9.968 578 1HG1 ILE 74 2HG1 ILE 74 6.058 -11.982 12.049 579 2HG1 ILE 74 3HG1 ILE 74 6.326 -13.105 10.706 580 1HG2 ILE 74 1HG2 ILE 74 8.898 -9.671 11.035 581 2HG2 ILE 74 2HG2 ILE 74 7.794 -10.063 12.370 582 3HG2 ILE 74 3HG2 ILE 74 9.221 -11.073 12.053 583 1HD1 ILE 74 1HD1 ILE 74 8.112 -12.740 13.132 584 2HD1 ILE 74 2HD1 ILE 74 7.129 -14.142 12.690 585 3HD1 ILE 74 3HD1 ILE 74 8.540 -13.715 11.701 586 H GLU 75 H GLU 75 7.004 -10.346 7.231 587 HA GLU 75 HA GLU 75 6.001 -11.093 5.380 588 1HB GLU 75 2HB GLU 75 5.227 -13.524 7.037 589 2HB GLU 75 3HB GLU 75 5.237 -13.400 5.276 590 1HG GLU 75 2HG GLU 75 7.702 -12.905 5.347 591 2HG GLU 75 3HG GLU 75 7.680 -13.157 7.103 Start of MODEL 17 1 1H MET 1 H1 MET 1 2.153 -16.401 -0.707 2 2H MET 1 H2 MET 1 3.643 -16.448 -1.436 3 3H MET 1 H3 MET 1 2.411 -15.456 -1.951 4 HA MET 1 HA MET 1 2.817 -17.477 -3.350 5 1HB MET 1 2HB MET 1 3.060 -19.004 -1.369 6 2HB MET 1 3HB MET 1 1.361 -18.749 -0.989 7 1HG MET 1 2HG MET 1 1.308 -19.538 -3.693 8 2HG MET 1 3HG MET 1 2.643 -20.471 -3.035 9 1HE MET 1 1HE MET 1 2.363 -22.213 -1.025 10 2HE MET 1 2HE MET 1 1.617 -20.967 0.009 11 3HE MET 1 3HE MET 1 0.810 -22.533 -0.219 12 H GLY 2 H GLY 2 -0.275 -18.421 -2.137 13 1HA GLY 2 2HA GLY 2 -1.737 -16.637 -3.944 14 2HA GLY 2 1HA GLY 2 -2.390 -17.824 -2.808 15 H ASP 3 H ASP 3 -0.427 -14.815 -2.672 16 HA ASP 3 HA ASP 3 -0.668 -14.199 -0.042 17 1HB ASP 3 2HB ASP 3 -0.614 -12.270 -2.404 18 2HB ASP 3 3HB ASP 3 -0.376 -11.787 -0.724 19 H GLY 4 H GLY 4 -2.779 -12.680 -2.518 20 1HA GLY 4 2HA GLY 4 -5.002 -12.123 -2.453 21 2HA GLY 4 1HA GLY 4 -5.175 -12.931 -0.886 22 H VAL 5 H VAL 5 -3.694 -11.717 0.869 23 HA VAL 5 HA VAL 5 -4.372 -8.819 0.809 24 HB VAL 5 HB VAL 5 -5.984 -9.886 2.188 25 1HG1 VAL 5 1HG1 VAL 5 -5.431 -11.286 4.138 26 2HG1 VAL 5 2HG1 VAL 5 -4.932 -12.063 2.632 27 3HG1 VAL 5 3HG1 VAL 5 -3.721 -11.288 3.676 28 1HG2 VAL 5 1HG2 VAL 5 -3.869 -8.792 4.093 29 2HG2 VAL 5 2HG2 VAL 5 -4.902 -7.782 3.065 30 3HG2 VAL 5 3HG2 VAL 5 -5.624 -8.821 4.311 31 H LEU 6 H LEU 6 -2.759 -7.402 1.332 32 HA LEU 6 HA LEU 6 -0.510 -8.338 2.955 33 1HB LEU 6 2HB LEU 6 -0.247 -8.536 0.304 34 2HB LEU 6 3HB LEU 6 -0.038 -6.792 0.410 35 HG LEU 6 HG LEU 6 2.045 -7.736 0.391 36 1HD1 LEU 6 1HD1 LEU 6 1.653 -7.256 3.367 37 2HD1 LEU 6 2HD1 LEU 6 3.151 -7.106 2.440 38 3HD1 LEU 6 3HD1 LEU 6 1.816 -5.979 2.135 39 1HD2 LEU 6 1HD2 LEU 6 2.878 -9.569 1.796 40 2HD2 LEU 6 2HD2 LEU 6 1.309 -9.686 2.616 41 3HD2 LEU 6 3HD2 LEU 6 1.445 -10.078 0.891 42 H GLU 7 H GLU 7 -0.571 -6.926 4.597 43 HA GLU 7 HA GLU 7 -1.129 -4.082 4.018 44 1HB GLU 7 2HB GLU 7 -1.024 -4.505 6.828 45 2HB GLU 7 3HB GLU 7 -2.309 -3.867 5.846 46 1HG GLU 7 2HG GLU 7 -3.256 -6.059 5.448 47 2HG GLU 7 3HG GLU 7 -1.850 -6.845 6.176 48 H LEU 8 H LEU 8 0.552 -2.890 3.749 49 HA LEU 8 HA LEU 8 3.180 -3.539 4.987 50 1HB LEU 8 2HB LEU 8 2.331 -1.273 3.144 51 2HB LEU 8 3HB LEU 8 3.991 -1.703 3.570 52 HG LEU 8 HG LEU 8 2.089 -3.489 1.972 53 1HD1 LEU 8 1HD1 LEU 8 3.369 -2.829 0.010 54 2HD1 LEU 8 2HD1 LEU 8 2.615 -1.412 0.758 55 3HD1 LEU 8 3HD1 LEU 8 4.349 -1.717 0.984 56 1HD2 LEU 8 1HD2 LEU 8 4.185 -4.704 1.397 57 2HD2 LEU 8 2HD2 LEU 8 5.092 -3.658 2.510 58 3HD2 LEU 8 3HD2 LEU 8 3.844 -4.760 3.133 59 H VAL 9 H VAL 9 4.206 -1.874 6.296 60 HA VAL 9 HA VAL 9 2.516 0.268 7.365 61 HB VAL 9 HB VAL 9 5.084 -0.958 8.207 62 1HG1 VAL 9 1HG1 VAL 9 4.700 2.046 8.422 63 2HG1 VAL 9 2HG1 VAL 9 5.910 1.080 9.290 64 3HG1 VAL 9 3HG1 VAL 9 5.991 1.190 7.531 65 1HG2 VAL 9 1HG2 VAL 9 3.013 0.727 9.717 66 2HG2 VAL 9 2HG2 VAL 9 2.904 -1.037 9.504 67 3HG2 VAL 9 3HG2 VAL 9 4.248 -0.326 10.419 68 H VAL 10 H VAL 10 2.881 2.386 6.498 69 HA VAL 10 HA VAL 10 4.847 2.749 4.342 70 HB VAL 10 HB VAL 10 1.844 3.305 4.295 71 1HG1 VAL 10 1HG1 VAL 10 2.226 4.427 2.146 72 2HG1 VAL 10 2HG1 VAL 10 3.029 5.277 3.473 73 3HG1 VAL 10 3HG1 VAL 10 3.985 4.268 2.366 74 1HG2 VAL 10 1HG2 VAL 10 2.372 1.059 3.544 75 2HG2 VAL 10 2HG2 VAL 10 2.038 2.039 2.103 76 3HG2 VAL 10 3HG2 VAL 10 3.709 1.651 2.534 77 H ARG 11 H ARG 11 6.148 4.253 5.274 78 HA ARG 11 HA ARG 11 4.908 6.476 6.846 79 1HB ARG 11 2HB ARG 11 7.764 5.401 6.824 80 2HB ARG 11 3HB ARG 11 7.145 6.717 7.820 81 1HG ARG 11 2HG ARG 11 5.410 5.154 8.724 82 2HG ARG 11 3HG ARG 11 6.178 3.829 7.839 83 1HD ARG 11 2HD ARG 11 8.177 3.945 9.095 84 2HD ARG 11 3HD ARG 11 7.732 5.448 9.898 85 HE ARG 11 HE ARG 11 6.873 2.730 10.537 86 1HH1 ARG 11 2HH2 ARG 11 6.090 6.151 10.978 87 2HH1 ARG 11 1HH2 ARG 11 4.601 5.827 11.853 88 1HH2 ARG 11 2HH1 ARG 11 4.877 2.344 11.789 89 2HH2 ARG 11 1HH1 ARG 11 3.928 3.727 12.268 90 H GLY 12 H GLY 12 6.253 8.560 6.704 91 1HA GLY 12 2HA GLY 12 7.216 10.221 5.350 92 2HA GLY 12 1HA GLY 12 7.049 9.216 3.910 93 H MET 13 H MET 13 4.359 8.469 4.009 94 HA MET 13 HA MET 13 3.056 10.581 2.803 95 1HB MET 13 2HB MET 13 1.070 9.250 2.893 96 2HB MET 13 3HB MET 13 2.466 8.185 2.685 97 1HG MET 13 2HG MET 13 2.340 7.618 5.107 98 2HG MET 13 3HG MET 13 0.883 8.635 5.239 99 1HE MET 13 1HE MET 13 0.929 5.769 6.286 100 2HE MET 13 2HE MET 13 -0.555 6.745 6.296 101 3HE MET 13 3HE MET 13 -0.585 5.085 5.646 102 H THR 14 H THR 14 2.861 9.677 6.121 103 HA THR 14 HA THR 14 2.088 10.577 7.999 104 HB THR 14 HB THR 14 3.987 11.968 7.636 105 HG1 THR 14 1HG THR 14 3.338 13.540 9.147 106 1HG2 THR 14 1HG2 THR 14 2.136 14.096 6.486 107 2HG2 THR 14 2HG2 THR 14 3.769 14.376 7.096 108 3HG2 THR 14 3HG2 THR 14 3.542 13.343 5.697 109 H CYS 15 H CYS 15 0.588 12.770 5.489 110 HA CYS 15 HA CYS 15 -1.629 13.120 7.441 111 1HB CYS 15 2HB CYS 15 -1.859 15.302 6.729 112 2HB CYS 15 3HB CYS 15 -0.125 15.058 6.851 113 H ALA 16 H ALA 16 -3.711 13.651 6.604 114 HA ALA 16 HA ALA 16 -5.012 11.714 5.206 115 1HB ALA 16 1HB ALA 16 -6.168 13.438 6.496 116 2HB ALA 16 2HB ALA 16 -5.731 14.672 5.289 117 3HB ALA 16 3HB ALA 16 -6.828 13.351 4.847 118 H SER 17 H SER 17 -3.757 14.787 3.814 119 HA SER 17 HA SER 17 -4.630 14.607 1.230 120 1HB SER 17 2HB SER 17 -1.864 15.601 1.966 121 2HB SER 17 3HB SER 17 -3.017 16.276 0.804 122 HG SER 17 HG SER 17 -2.710 16.992 3.292 123 H CYS 18 H CYS 18 -1.646 13.096 2.657 124 HA CYS 18 HA CYS 18 -0.863 12.008 0.051 125 1HB CYS 18 2HB CYS 18 0.194 11.485 2.810 126 2HB CYS 18 3HB CYS 18 0.879 10.896 1.289 127 H VAL 19 H VAL 19 -2.393 10.877 3.094 128 HA VAL 19 HA VAL 19 -2.500 8.138 2.482 129 HB VAL 19 HB VAL 19 -4.401 9.895 4.060 130 1HG1 VAL 19 1HG1 VAL 19 -5.663 7.863 3.410 131 2HG1 VAL 19 2HG1 VAL 19 -4.321 6.864 4.010 132 3HG1 VAL 19 3HG1 VAL 19 -5.262 7.860 5.128 133 1HG2 VAL 19 1HG2 VAL 19 -2.278 7.884 4.927 134 2HG2 VAL 19 2HG2 VAL 19 -2.032 9.636 4.912 135 3HG2 VAL 19 3HG2 VAL 19 -3.243 8.925 5.988 136 H HIS 20 H HIS 20 -5.234 10.477 1.824 137 HA HIS 20 HA HIS 20 -6.584 8.391 0.396 138 1HB HIS 20 2HB HIS 20 -8.337 9.750 0.058 139 2HB HIS 20 3HB HIS 20 -7.648 10.394 1.544 140 HD1 HIS 20 1HD HIS 20 -9.375 11.768 -1.116 141 HD2 HIS 20 2HD HIS 20 -5.523 12.441 0.396 142 HE1 HIS 20 1HE HIS 20 -8.686 14.106 -1.873 143 H LYS 21 H LYS 21 -4.255 10.801 -0.662 144 HA LYS 21 HA LYS 21 -4.542 10.531 -3.494 145 1HB LYS 21 2HB LYS 21 -3.205 12.282 -2.592 146 2HB LYS 21 3HB LYS 21 -2.249 11.155 -1.636 147 1HG LYS 21 2HG LYS 21 -1.252 10.229 -3.737 148 2HG LYS 21 3HG LYS 21 -2.111 11.500 -4.643 149 1HD LYS 21 2HD LYS 21 -0.972 13.228 -3.276 150 2HD LYS 21 3HD LYS 21 -0.217 11.968 -2.284 151 1HE LYS 21 2HE LYS 21 0.989 11.106 -4.304 152 2HE LYS 21 3HE LYS 21 0.316 12.446 -5.251 153 1HZ LYS 21 1HZ LYS 21 1.461 13.965 -3.766 154 2HZ LYS 21 2HZ LYS 21 2.075 12.714 -2.892 155 3HZ LYS 21 3HZ LYS 21 2.528 12.922 -4.456 156 H ILE 22 H ILE 22 -2.460 8.734 -1.123 157 HA ILE 22 HA ILE 22 -1.417 6.867 -2.991 158 HB ILE 22 HB ILE 22 -1.910 6.610 -0.004 159 1HG1 ILE 22 2HG1 ILE 22 0.756 6.895 -1.426 160 2HG1 ILE 22 3HG1 ILE 22 -0.200 8.323 -1.037 161 1HG2 ILE 22 1HG2 ILE 22 -0.261 4.694 -0.148 162 2HG2 ILE 22 2HG2 ILE 22 -1.797 4.340 -0.929 163 3HG2 ILE 22 3HG2 ILE 22 -0.386 4.786 -1.912 164 1HD1 ILE 22 1HD1 ILE 22 -0.280 7.613 1.359 165 2HD1 ILE 22 2HD1 ILE 22 0.835 6.278 0.977 166 3HD1 ILE 22 3HD1 ILE 22 1.345 7.957 0.759 167 H GLU 23 H GLU 23 -4.245 6.639 -0.792 168 HA GLU 23 HA GLU 23 -5.127 4.101 -1.464 169 1HB GLU 23 2HB GLU 23 -6.007 6.049 0.193 170 2HB GLU 23 3HB GLU 23 -7.237 6.239 -1.052 171 1HG GLU 23 2HG GLU 23 -8.008 4.003 -0.715 172 2HG GLU 23 3HG GLU 23 -6.558 3.590 0.209 173 H SER 24 H SER 24 -6.306 7.158 -2.889 174 HA SER 24 HA SER 24 -7.855 6.077 -4.960 175 1HB SER 24 2HB SER 24 -7.929 8.423 -4.257 176 2HB SER 24 3HB SER 24 -6.312 8.713 -4.905 177 HG SER 24 HG SER 24 -8.046 9.331 -6.311 178 H SER 25 H SER 25 -4.329 6.822 -4.913 179 HA SER 25 HA SER 25 -3.892 6.467 -7.708 180 1HB SER 25 2HB SER 25 -2.327 7.623 -6.139 181 2HB SER 25 3HB SER 25 -1.935 6.061 -5.400 182 HG SER 25 HG SER 25 -1.547 6.764 -8.130 183 H LEU 26 H LEU 26 -3.457 4.293 -4.895 184 HA LEU 26 HA LEU 26 -2.675 2.004 -6.226 185 1HB LEU 26 2HB LEU 26 -3.736 2.690 -3.574 186 2HB LEU 26 3HB LEU 26 -4.442 1.184 -4.126 187 HG LEU 26 HG LEU 26 -2.463 0.829 -2.818 188 1HD1 LEU 26 1HD1 LEU 26 -2.020 -0.006 -5.709 189 2HD1 LEU 26 2HD1 LEU 26 -1.348 -0.767 -4.259 190 3HD1 LEU 26 3HD1 LEU 26 -3.101 -0.800 -4.540 191 1HD2 LEU 26 1HD2 LEU 26 -0.234 1.368 -3.586 192 2HD2 LEU 26 2HD2 LEU 26 -0.848 2.197 -5.019 193 3HD2 LEU 26 3HD2 LEU 26 -1.190 2.859 -3.407 194 H THR 27 H THR 27 -6.090 2.987 -5.449 195 HA THR 27 HA THR 27 -7.267 0.777 -6.620 196 HB THR 27 HB THR 27 -8.461 3.564 -6.657 197 HG1 THR 27 1HG THR 27 -9.009 3.024 -4.471 198 1HG2 THR 27 1HG2 THR 27 -10.545 2.324 -6.102 199 2HG2 THR 27 2HG2 THR 27 -9.884 1.758 -7.644 200 3HG2 THR 27 3HG2 THR 27 -9.656 0.790 -6.172 201 H LYS 28 H LYS 28 -5.669 3.406 -8.345 202 HA LYS 28 HA LYS 28 -7.070 3.019 -10.865 203 1HB LYS 28 2HB LYS 28 -4.228 4.009 -10.495 204 2HB LYS 28 3HB LYS 28 -5.274 4.241 -11.886 205 1HG LYS 28 2HG LYS 28 -5.649 5.438 -9.131 206 2HG LYS 28 3HG LYS 28 -5.030 6.275 -10.539 207 1HD LYS 28 2HD LYS 28 -7.129 6.166 -11.694 208 2HD LYS 28 3HD LYS 28 -7.858 5.106 -10.483 209 1HE LYS 28 2HE LYS 28 -6.806 7.888 -9.799 210 2HE LYS 28 3HE LYS 28 -8.464 7.622 -10.355 211 1HZ LYS 28 1HZ LYS 28 -8.070 7.621 -7.846 212 2HZ LYS 28 2HZ LYS 28 -8.943 6.364 -8.462 213 3HZ LYS 28 3HZ LYS 28 -7.369 6.175 -8.049 214 H HIS 29 H HIS 29 -4.439 1.314 -9.150 215 HA HIS 29 HA HIS 29 -3.290 -0.016 -11.399 216 1HB HIS 29 2HB HIS 29 -3.688 -1.011 -8.551 217 2HB HIS 29 3HB HIS 29 -2.700 -1.796 -9.771 218 HD1 HIS 29 1HD HIS 29 -0.518 -1.614 -8.346 219 HD2 HIS 29 2HD HIS 29 -2.424 2.058 -9.135 220 HE1 HIS 29 1HE HIS 29 1.053 0.225 -7.542 221 H ARG 30 H ARG 30 -3.838 -1.988 -12.354 222 HA ARG 30 HA ARG 30 -6.527 -3.179 -11.784 223 1HB ARG 30 2HB ARG 30 -4.669 -3.214 -14.181 224 2HB ARG 30 3HB ARG 30 -5.676 -4.613 -13.833 225 1HG ARG 30 2HG ARG 30 -6.767 -3.240 -15.437 226 2HG ARG 30 3HG ARG 30 -7.720 -3.318 -13.961 227 1HD ARG 30 2HD ARG 30 -5.870 -0.996 -14.704 228 2HD ARG 30 3HD ARG 30 -7.564 -1.029 -15.169 229 HE ARG 30 HE ARG 30 -6.489 -0.202 -12.671 230 1HH1 ARG 30 2HH2 ARG 30 -9.348 -1.661 -14.065 231 2HH1 ARG 30 1HH2 ARG 30 -10.337 -1.477 -12.644 232 1HH2 ARG 30 2HH1 ARG 30 -7.619 -0.349 -10.646 233 2HH2 ARG 30 1HH1 ARG 30 -9.344 -0.485 -10.681 234 H GLY 31 H GLY 31 -6.441 -5.558 -11.431 235 1HA GLY 31 2HA GLY 31 -5.386 -7.506 -10.694 236 2HA GLY 31 1HA GLY 31 -3.834 -6.659 -10.668 237 H ILE 32 H ILE 32 -5.393 -4.433 -9.037 238 HA ILE 32 HA ILE 32 -4.930 -5.623 -6.407 239 HB ILE 32 HB ILE 32 -5.429 -3.485 -5.485 240 1HG1 ILE 32 2HG1 ILE 32 -5.627 -1.563 -7.357 241 2HG1 ILE 32 3HG1 ILE 32 -6.502 -2.831 -8.220 242 1HG2 ILE 32 1HG2 ILE 32 -3.553 -2.253 -6.440 243 2HG2 ILE 32 2HG2 ILE 32 -3.178 -3.975 -6.300 244 3HG2 ILE 32 3HG2 ILE 32 -3.572 -3.284 -7.885 245 1HD1 ILE 32 1HD1 ILE 32 -7.992 -3.055 -6.166 246 2HD1 ILE 32 2HD1 ILE 32 -7.091 -1.712 -5.441 247 3HD1 ILE 32 3HD1 ILE 32 -8.040 -1.460 -6.923 248 H LEU 33 H LEU 33 -6.502 -6.195 -5.013 249 HA LEU 33 HA LEU 33 -9.289 -6.599 -5.952 250 1HB LEU 33 2HB LEU 33 -7.626 -7.498 -3.583 251 2HB LEU 33 3HB LEU 33 -9.379 -7.630 -3.564 252 HG LEU 33 HG LEU 33 -9.427 -9.214 -5.275 253 1HD1 LEU 33 1HD1 LEU 33 -6.488 -8.678 -5.820 254 2HD1 LEU 33 2HD1 LEU 33 -7.411 -10.018 -6.514 255 3HD1 LEU 33 3HD1 LEU 33 -7.843 -8.356 -6.921 256 1HD2 LEU 33 1HD2 LEU 33 -6.987 -9.845 -3.565 257 2HD2 LEU 33 2HD2 LEU 33 -8.681 -10.032 -3.058 258 3HD2 LEU 33 3HD2 LEU 33 -8.036 -11.022 -4.379 259 H TYR 34 H TYR 34 -7.351 -4.860 -3.394 260 HA TYR 34 HA TYR 34 -9.424 -2.835 -3.125 261 1HB TYR 34 2HB TYR 34 -10.335 -4.660 -1.701 262 2HB TYR 34 3HB TYR 34 -8.772 -4.818 -0.901 263 HD1 TYR 34 HD1 TYR 34 -11.600 -2.418 -1.440 264 HD2 TYR 34 HD2 TYR 34 -8.271 -3.569 1.048 265 HE1 TYR 34 HE1 TYR 34 -12.406 -0.903 0.357 266 HE2 TYR 34 HE2 TYR 34 -9.098 -2.097 2.846 267 HH TYR 34 HH TYR 34 -10.765 -0.614 3.513 268 H CYS 35 H CYS 35 -8.529 -0.988 -1.820 269 HA CYS 35 HA CYS 35 -5.949 -1.509 -0.550 270 1HB CYS 35 2HB CYS 35 -4.959 0.517 -1.336 271 2HB CYS 35 3HB CYS 35 -5.561 -0.330 -2.782 272 HG CYS 35 HG CYS 35 -6.100 2.175 -3.156 273 H SER 36 H SER 36 -5.791 -0.349 1.435 274 HA SER 36 HA SER 36 -7.200 2.058 1.522 275 1HB SER 36 2HB SER 36 -9.052 0.799 2.427 276 2HB SER 36 3HB SER 36 -8.008 0.121 3.707 277 HG SER 36 HG SER 36 -8.332 2.928 3.310 278 H VAL 37 H VAL 37 -6.271 3.506 3.046 279 HA VAL 37 HA VAL 37 -3.766 2.548 4.359 280 HB VAL 37 HB VAL 37 -2.984 4.999 3.626 281 1HG1 VAL 37 1HG1 VAL 37 -1.861 4.025 1.643 282 2HG1 VAL 37 2HG1 VAL 37 -1.694 3.109 3.137 283 3HG1 VAL 37 3HG1 VAL 37 -2.822 2.543 1.867 284 1HG2 VAL 37 1HG2 VAL 37 -3.633 5.598 1.410 285 2HG2 VAL 37 2HG2 VAL 37 -4.653 4.177 1.226 286 3HG2 VAL 37 3HG2 VAL 37 -5.137 5.468 2.355 287 H ALA 38 H ALA 38 -3.032 3.783 6.153 288 HA ALA 38 HA ALA 38 -4.764 5.918 7.157 289 1HB ALA 38 1HB ALA 38 -5.255 4.726 9.318 290 2HB ALA 38 2HB ALA 38 -6.097 4.030 7.913 291 3HB ALA 38 3HB ALA 38 -4.645 3.239 8.559 292 H LEU 39 H LEU 39 -3.987 6.845 9.088 293 HA LEU 39 HA LEU 39 -1.007 6.888 9.059 294 1HB LEU 39 2HB LEU 39 -1.333 9.342 9.617 295 2HB LEU 39 3HB LEU 39 -1.643 8.780 7.980 296 HG LEU 39 HG LEU 39 -4.039 8.901 8.280 297 1HD1 LEU 39 1HD1 LEU 39 -4.371 8.366 10.653 298 2HD1 LEU 39 2HD1 LEU 39 -3.406 9.780 11.142 299 3HD1 LEU 39 3HD1 LEU 39 -4.986 9.988 10.360 300 1HD2 LEU 39 1HD2 LEU 39 -2.672 11.426 9.250 301 2HD2 LEU 39 2HD2 LEU 39 -2.817 10.884 7.562 302 3HD2 LEU 39 3HD2 LEU 39 -4.269 11.314 8.479 303 H ALA 40 H ALA 40 -3.587 6.215 11.179 304 HA ALA 40 HA ALA 40 -2.264 7.039 13.631 305 1HB ALA 40 1HB ALA 40 -3.786 5.405 14.692 306 2HB ALA 40 2HB ALA 40 -4.654 6.504 13.603 307 3HB ALA 40 3HB ALA 40 -4.314 4.837 13.093 308 H THR 41 H THR 41 -2.623 3.871 11.967 309 HA THR 41 HA THR 41 -0.376 2.718 13.371 310 HB THR 41 HB THR 41 -1.637 1.559 10.923 311 HG1 THR 41 1HG THR 41 -2.798 1.987 13.449 312 1HG2 THR 41 1HG2 THR 41 -0.746 0.352 13.580 313 2HG2 THR 41 2HG2 THR 41 -1.403 -0.554 12.206 314 3HG2 THR 41 3HG2 THR 41 0.151 0.282 12.050 315 H ASN 42 H ASN 42 -0.882 4.342 10.280 316 HA ASN 42 HA ASN 42 0.517 5.056 8.640 317 1HB ASN 42 2HB ASN 42 2.939 3.792 9.963 318 2HB ASN 42 3HB ASN 42 2.867 5.113 8.801 319 1HD2 ASN 42 1HD2 ASN 42 1.185 6.912 9.659 320 2HD2 ASN 42 2HD2 ASN 42 1.157 7.203 11.367 321 H LYS 43 H LYS 43 -0.989 3.225 7.879 322 HA LYS 43 HA LYS 43 0.515 0.790 7.090 323 1HB LYS 43 2HB LYS 43 -1.461 -0.559 7.615 324 2HB LYS 43 3HB LYS 43 -0.768 0.215 9.038 325 1HG LYS 43 2HG LYS 43 -2.520 2.028 8.825 326 2HG LYS 43 3HG LYS 43 -3.260 1.137 7.488 327 1HD LYS 43 2HD LYS 43 -3.852 -0.705 8.872 328 2HD LYS 43 3HD LYS 43 -2.743 -0.200 10.152 329 1HE LYS 43 2HE LYS 43 -4.227 1.948 10.288 330 2HE LYS 43 3HE LYS 43 -5.437 0.977 9.437 331 1HZ LYS 43 1HZ LYS 43 -4.155 0.546 12.036 332 2HZ LYS 43 2HZ LYS 43 -5.758 0.791 11.763 333 3HZ LYS 43 3HZ LYS 43 -5.077 -0.648 11.326 334 H ALA 44 H ALA 44 -0.396 -0.384 5.392 335 HA ALA 44 HA ALA 44 -2.385 0.918 3.648 336 1HB ALA 44 1HB ALA 44 -0.128 1.680 2.824 337 2HB ALA 44 2HB ALA 44 0.303 -0.024 2.583 338 3HB ALA 44 3HB ALA 44 -1.069 0.665 1.690 339 H HIS 45 H HIS 45 -3.803 -0.674 3.958 340 HA HIS 45 HA HIS 45 -3.148 -3.592 3.693 341 1HB HIS 45 2HB HIS 45 -4.619 -2.735 5.516 342 2HB HIS 45 3HB HIS 45 -5.715 -2.104 4.283 343 HD1 HIS 45 1HD HIS 45 -5.324 -5.104 6.373 344 HD2 HIS 45 2HD HIS 45 -6.312 -4.232 2.370 345 HE1 HIS 45 1HE HIS 45 -6.772 -7.029 5.551 346 H ILE 46 H ILE 46 -2.577 -3.960 1.623 347 HA ILE 46 HA ILE 46 -4.562 -3.127 -0.447 348 HB ILE 46 HB ILE 46 -1.676 -4.005 -0.790 349 1HG1 ILE 46 2HG1 ILE 46 -1.445 -1.921 -2.061 350 2HG1 ILE 46 3HG1 ILE 46 -3.133 -1.488 -1.754 351 1HG2 ILE 46 1HG2 ILE 46 -3.043 -5.085 -2.528 352 2HG2 ILE 46 2HG2 ILE 46 -3.878 -3.557 -2.866 353 3HG2 ILE 46 3HG2 ILE 46 -2.166 -3.742 -3.247 354 1HD1 ILE 46 1HD1 ILE 46 -1.331 -0.344 -0.372 355 2HD1 ILE 46 2HD1 ILE 46 -2.689 -1.038 0.526 356 3HD1 ILE 46 3HD1 ILE 46 -1.118 -1.899 0.477 357 H LYS 47 H LYS 47 -5.443 -4.793 -1.652 358 HA LYS 47 HA LYS 47 -4.657 -7.550 -0.946 359 1HB LYS 47 2HB LYS 47 -7.482 -6.580 -1.480 360 2HB LYS 47 3HB LYS 47 -6.971 -8.279 -1.282 361 1HG LYS 47 2HG LYS 47 -6.042 -7.420 1.026 362 2HG LYS 47 3HG LYS 47 -7.105 -6.048 0.781 363 1HD LYS 47 2HD LYS 47 -7.947 -8.987 0.751 364 2HD LYS 47 3HD LYS 47 -8.056 -7.911 2.159 365 1HE LYS 47 2HE LYS 47 -9.559 -6.374 0.878 366 2HE LYS 47 3HE LYS 47 -9.513 -7.485 -0.505 367 1HZ LYS 47 1HZ LYS 47 -10.528 -9.153 0.897 368 2HZ LYS 47 2HZ LYS 47 -10.567 -8.111 2.173 369 3HZ LYS 47 3HZ LYS 47 -11.463 -7.801 0.829 370 H TYR 48 H TYR 48 -4.281 -8.798 -2.798 371 HA TYR 48 HA TYR 48 -4.556 -7.497 -5.420 372 1HB TYR 48 2HB TYR 48 -2.158 -7.471 -5.855 373 2HB TYR 48 3HB TYR 48 -2.642 -6.325 -4.622 374 HD1 TYR 48 HD1 TYR 48 -1.273 -9.853 -4.906 375 HD2 TYR 48 HD2 TYR 48 -1.115 -6.080 -2.847 376 HE1 TYR 48 HE1 TYR 48 0.639 -10.651 -3.589 377 HE2 TYR 48 HE2 TYR 48 0.917 -6.827 -1.679 378 HH TYR 48 HH TYR 48 1.965 -10.251 -1.732 379 H ASP 49 H ASP 49 -4.049 -8.796 -7.194 380 HA ASP 49 HA ASP 49 -3.839 -11.686 -6.759 381 1HB ASP 49 2HB ASP 49 -5.023 -11.087 -8.701 382 2HB ASP 49 3HB ASP 49 -3.781 -9.957 -9.231 383 HA PRO 50 HA PRO 50 0.516 -11.031 -6.012 384 1HB PRO 50 2HB PRO 50 1.375 -13.593 -5.682 385 2HB PRO 50 3HB PRO 50 0.260 -12.806 -4.536 386 1HG PRO 50 2HG PRO 50 -0.460 -14.650 -6.826 387 2HG PRO 50 3HG PRO 50 -1.008 -14.741 -5.125 388 1HD PRO 50 2HD PRO 50 -2.522 -13.570 -7.053 389 2HD PRO 50 3HD PRO 50 -2.460 -12.911 -5.386 390 H GLU 51 H GLU 51 -0.607 -12.608 -8.957 391 HA GLU 51 HA GLU 51 2.156 -13.179 -9.871 392 1HB GLU 51 2HB GLU 51 -0.564 -13.641 -11.175 393 2HB GLU 51 3HB GLU 51 1.017 -14.053 -11.863 394 1HG GLU 51 2HG GLU 51 1.464 -15.494 -9.832 395 2HG GLU 51 3HG GLU 51 -0.196 -15.172 -9.297 396 H ILE 52 H ILE 52 -0.699 -11.138 -10.610 397 HA ILE 52 HA ILE 52 0.755 -9.677 -12.648 398 HB ILE 52 HB ILE 52 -1.730 -9.993 -12.541 399 1HG1 ILE 52 2HG1 ILE 52 -2.348 -7.719 -13.337 400 2HG1 ILE 52 3HG1 ILE 52 -0.774 -7.104 -12.820 401 1HG2 ILE 52 1HG2 ILE 52 -1.804 -7.668 -10.619 402 2HG2 ILE 52 2HG2 ILE 52 -3.123 -8.727 -11.182 403 3HG2 ILE 52 3HG2 ILE 52 -1.879 -9.351 -10.091 404 1HD1 ILE 52 1HD1 ILE 52 -0.945 -7.616 -15.271 405 2HD1 ILE 52 2HD1 ILE 52 0.357 -8.514 -14.483 406 3HD1 ILE 52 3HD1 ILE 52 -1.178 -9.329 -14.873 407 H ILE 53 H ILE 53 0.074 -9.079 -9.157 408 HA ILE 53 HA ILE 53 1.920 -6.743 -9.231 409 HB ILE 53 HB ILE 53 -0.882 -7.106 -8.193 410 1HG1 ILE 53 2HG1 ILE 53 -0.394 -5.772 -10.269 411 2HG1 ILE 53 3HG1 ILE 53 -1.271 -4.917 -8.993 412 1HG2 ILE 53 1HG2 ILE 53 -0.570 -5.129 -6.709 413 2HG2 ILE 53 2HG2 ILE 53 0.102 -6.653 -6.129 414 3HG2 ILE 53 3HG2 ILE 53 1.192 -5.420 -6.806 415 1HD1 ILE 53 1HD1 ILE 53 0.760 -3.712 -8.331 416 2HD1 ILE 53 2HD1 ILE 53 1.700 -4.573 -9.571 417 3HD1 ILE 53 3HD1 ILE 53 0.395 -3.479 -10.046 418 H GLY 54 H GLY 54 3.698 -7.367 -8.227 419 1HA GLY 54 2HA GLY 54 3.606 -9.283 -5.961 420 2HA GLY 54 1HA GLY 54 5.037 -8.506 -6.665 421 HA PRO 55 HA PRO 55 3.388 -5.972 -2.888 422 1HB PRO 55 2HB PRO 55 5.351 -6.696 -1.077 423 2HB PRO 55 3HB PRO 55 3.747 -7.464 -1.187 424 1HG PRO 55 2HG PRO 55 6.349 -8.463 -2.336 425 2HG PRO 55 3HG PRO 55 5.080 -9.388 -1.487 426 1HD PRO 55 2HD PRO 55 5.298 -9.340 -4.213 427 2HD PRO 55 3HD PRO 55 3.714 -9.461 -3.413 428 H ARG 56 H ARG 56 6.553 -7.057 -3.983 429 HA ARG 56 HA ARG 56 8.324 -5.038 -4.126 430 1HB ARG 56 2HB ARG 56 8.518 -7.217 -5.239 431 2HB ARG 56 3HB ARG 56 7.208 -6.795 -6.344 432 1HG ARG 56 2HG ARG 56 8.729 -4.917 -7.237 433 2HG ARG 56 3HG ARG 56 10.020 -5.643 -6.262 434 1HD ARG 56 2HD ARG 56 10.143 -6.497 -8.540 435 2HD ARG 56 3HD ARG 56 9.597 -7.807 -7.468 436 HE ARG 56 HE ARG 56 7.545 -6.131 -8.879 437 1HH1 ARG 56 2HH2 ARG 56 9.394 -9.109 -9.126 438 2HH1 ARG 56 1HH2 ARG 56 8.137 -9.992 -9.946 439 1HH2 ARG 56 2HH1 ARG 56 5.823 -7.290 -9.759 440 2HH2 ARG 56 1HH1 ARG 56 6.058 -8.886 -10.412 441 H ASP 57 H ASP 57 5.458 -5.255 -6.353 442 HA ASP 57 HA ASP 57 6.346 -2.944 -7.841 443 1HB ASP 57 2HB ASP 57 3.663 -4.392 -7.875 444 2HB ASP 57 3HB ASP 57 4.288 -3.290 -9.113 445 H ILE 58 H ILE 58 3.847 -3.604 -5.422 446 HA ILE 58 HA ILE 58 2.675 -0.985 -5.353 447 HB ILE 58 HB ILE 58 2.852 -3.254 -3.357 448 1HG1 ILE 58 2HG1 ILE 58 0.383 -2.226 -4.766 449 2HG1 ILE 58 3HG1 ILE 58 1.491 -3.308 -5.611 450 1HG2 ILE 58 1HG2 ILE 58 1.065 -2.056 -2.060 451 2HG2 ILE 58 2HG2 ILE 58 2.588 -1.177 -2.037 452 3HG2 ILE 58 3HG2 ILE 58 1.280 -0.644 -3.112 453 1HD1 ILE 58 1HD1 ILE 58 0.266 -3.971 -2.913 454 2HD1 ILE 58 2HD1 ILE 58 -0.315 -4.541 -4.491 455 3HD1 ILE 58 3HD1 ILE 58 1.302 -5.007 -3.922 456 H ILE 59 H ILE 59 5.325 -2.488 -3.363 457 HA ILE 59 HA ILE 59 5.956 -0.219 -1.834 458 HB ILE 59 HB ILE 59 7.608 -2.549 -2.864 459 1HG1 ILE 59 2HG1 ILE 59 6.676 -1.978 -0.024 460 2HG1 ILE 59 3HG1 ILE 59 5.623 -2.801 -1.173 461 1HG2 ILE 59 1HG2 ILE 59 8.397 -0.366 -0.898 462 2HG2 ILE 59 2HG2 ILE 59 9.274 -1.897 -1.098 463 3HG2 ILE 59 3HG2 ILE 59 9.185 -0.764 -2.440 464 1HD1 ILE 59 1HD1 ILE 59 8.354 -3.790 -0.284 465 2HD1 ILE 59 2HD1 ILE 59 6.764 -4.466 0.120 466 3HD1 ILE 59 3HD1 ILE 59 7.350 -4.525 -1.554 467 H HIS 60 H HIS 60 7.430 -1.274 -4.972 468 HA HIS 60 HA HIS 60 9.041 0.962 -5.421 469 1HB HIS 60 2HB HIS 60 7.463 -0.656 -7.462 470 2HB HIS 60 3HB HIS 60 8.762 0.472 -7.838 471 HD1 HIS 60 1HD HIS 60 9.302 -2.250 -8.893 472 HD2 HIS 60 2HD HIS 60 10.240 -1.114 -4.947 473 HE1 HIS 60 1HE HIS 60 11.171 -3.801 -8.104 474 H THR 61 H THR 61 5.519 0.622 -6.102 475 HA THR 61 HA THR 61 5.314 3.156 -7.441 476 HB THR 61 HB THR 61 3.141 1.707 -5.871 477 HG1 THR 61 1HG THR 61 4.144 0.413 -7.510 478 1HG2 THR 61 1HG2 THR 61 1.645 2.881 -7.445 479 2HG2 THR 61 2HG2 THR 61 2.563 4.045 -6.486 480 3HG2 THR 61 3HG2 THR 61 3.031 3.711 -8.168 481 H ILE 62 H ILE 62 4.796 2.177 -4.040 482 HA ILE 62 HA ILE 62 4.063 4.762 -3.075 483 HB ILE 62 HB ILE 62 4.622 2.050 -2.021 484 1HG1 ILE 62 2HG1 ILE 62 2.609 2.554 -0.692 485 2HG1 ILE 62 3HG1 ILE 62 2.633 4.233 -1.249 486 1HG2 ILE 62 1HG2 ILE 62 4.732 2.663 0.300 487 2HG2 ILE 62 2HG2 ILE 62 6.195 3.211 -0.539 488 3HG2 ILE 62 3HG2 ILE 62 4.900 4.355 -0.099 489 1HD1 ILE 62 1HD1 ILE 62 2.200 3.462 -3.568 490 2HD1 ILE 62 2HD1 ILE 62 2.267 1.773 -3.007 491 3HD1 ILE 62 3HD1 ILE 62 0.998 2.864 -2.418 492 H GLU 63 H GLU 63 7.253 3.175 -3.241 493 HA GLU 63 HA GLU 63 8.828 5.327 -2.217 494 1HB GLU 63 2HB GLU 63 9.381 3.227 -4.347 495 2HB GLU 63 3HB GLU 63 10.606 4.302 -3.664 496 1HG GLU 63 2HG GLU 63 10.282 3.390 -1.437 497 2HG GLU 63 3HG GLU 63 8.932 2.391 -1.968 498 H SER 64 H SER 64 7.804 4.565 -5.565 499 HA SER 64 HA SER 64 9.035 6.804 -6.754 500 1HB SER 64 2HB SER 64 8.240 4.763 -7.969 501 2HB SER 64 3HB SER 64 6.572 5.345 -7.778 502 HG SER 64 HG SER 64 7.529 7.372 -8.783 503 H LEU 65 H LEU 65 5.868 6.558 -5.138 504 HA LEU 65 HA LEU 65 5.038 9.245 -5.863 505 1HB LEU 65 2HB LEU 65 4.346 7.474 -3.488 506 2HB LEU 65 3HB LEU 65 3.601 9.047 -3.812 507 HG LEU 65 HG LEU 65 3.458 6.601 -5.633 508 1HD1 LEU 65 1HD1 LEU 65 2.220 6.334 -3.518 509 2HD1 LEU 65 2HD1 LEU 65 1.363 7.863 -3.822 510 3HD1 LEU 65 3HD1 LEU 65 1.124 6.470 -4.903 511 1HD2 LEU 65 1HD2 LEU 65 3.273 8.579 -7.008 512 2HD2 LEU 65 2HD2 LEU 65 1.659 7.902 -6.786 513 3HD2 LEU 65 3HD2 LEU 65 2.145 9.336 -5.855 514 H GLY 66 H GLY 66 5.917 8.375 -2.479 515 1HA GLY 66 2HA GLY 66 8.355 9.878 -2.638 516 2HA GLY 66 1HA GLY 66 7.114 10.838 -1.818 517 H PHE 67 H PHE 67 7.152 7.251 -1.404 518 HA PHE 67 HA PHE 67 7.342 7.973 1.515 519 1HB PHE 67 2HB PHE 67 5.305 6.366 0.022 520 2HB PHE 67 3HB PHE 67 5.231 6.787 1.729 521 HD1 PHE 67 1HD PHE 67 5.914 9.728 1.609 522 HD2 PHE 67 2HD PHE 67 3.468 7.333 -1.025 523 HE1 PHE 67 1HE PHE 67 4.547 11.707 1.072 524 HE2 PHE 67 2HE PHE 67 2.067 9.313 -1.502 525 HZ PHE 67 HZ PHE 67 2.504 11.447 -0.284 526 H GLU 68 H GLU 68 7.598 6.248 2.981 527 HA GLU 68 HA GLU 68 9.475 4.172 2.038 528 1HB GLU 68 2HB GLU 68 10.086 5.380 3.987 529 2HB GLU 68 3HB GLU 68 8.487 5.240 4.709 530 1HG GLU 68 2HG GLU 68 10.271 2.814 4.282 531 2HG GLU 68 3HG GLU 68 10.398 3.863 5.694 532 H ALA 69 H ALA 69 9.039 1.883 2.790 533 HA ALA 69 HA ALA 69 6.508 1.388 3.897 534 1HB ALA 69 1HB ALA 69 5.723 -0.338 2.267 535 2HB ALA 69 2HB ALA 69 5.800 1.255 1.508 536 3HB ALA 69 3HB ALA 69 7.077 0.074 1.192 537 H SER 70 H SER 70 6.328 -0.753 4.785 538 HA SER 70 HA SER 70 8.555 -2.627 4.427 539 1HB SER 70 2HB SER 70 9.328 -0.966 6.203 540 2HB SER 70 3HB SER 70 7.959 -1.486 7.195 541 HG SER 70 HG SER 70 10.182 -3.005 6.298 542 H LEU 71 H LEU 71 7.793 -4.738 4.754 543 HA LEU 71 HA LEU 71 4.905 -5.049 5.272 544 1HB LEU 71 2HB LEU 71 5.376 -7.454 4.846 545 2HB LEU 71 3HB LEU 71 5.579 -6.373 3.476 546 HG LEU 71 HG LEU 71 8.080 -6.959 5.036 547 1HD1 LEU 71 1HD1 LEU 71 7.015 -9.169 5.005 548 2HD1 LEU 71 2HD1 LEU 71 6.720 -9.025 3.257 549 3HD1 LEU 71 3HD1 LEU 71 8.383 -9.117 3.880 550 1HD2 LEU 71 1HD2 LEU 71 8.050 -5.540 2.935 551 2HD2 LEU 71 2HD2 LEU 71 9.050 -6.994 2.788 552 3HD2 LEU 71 3HD2 LEU 71 7.439 -6.945 2.047 553 H VAL 72 H VAL 72 4.109 -5.368 7.311 554 HA VAL 72 HA VAL 72 5.659 -6.871 9.267 555 HB VAL 72 HB VAL 72 6.670 -4.616 9.338 556 1HG1 VAL 72 1HG1 VAL 72 5.434 -2.674 10.109 557 2HG1 VAL 72 2HG1 VAL 72 4.693 -3.287 8.622 558 3HG1 VAL 72 3HG1 VAL 72 3.925 -3.599 10.193 559 1HG2 VAL 72 1HG2 VAL 72 6.585 -4.257 11.707 560 2HG2 VAL 72 2HG2 VAL 72 5.052 -5.126 11.863 561 3HG2 VAL 72 3HG2 VAL 72 6.533 -6.002 11.404 562 H LYS 73 H LYS 73 4.504 -7.475 11.047 563 HA LYS 73 HA LYS 73 2.295 -6.505 12.234 564 1HB LYS 73 2HB LYS 73 0.483 -8.121 11.633 565 2HB LYS 73 3HB LYS 73 0.793 -6.879 10.453 566 1HG LYS 73 2HG LYS 73 2.343 -8.793 9.320 567 2HG LYS 73 3HG LYS 73 1.430 -9.839 10.394 568 1HD LYS 73 2HD LYS 73 0.193 -9.973 8.465 569 2HD LYS 73 3HD LYS 73 -0.708 -8.727 9.329 570 1HE LYS 73 2HE LYS 73 1.450 -8.218 7.195 571 2HE LYS 73 3HE LYS 73 -0.282 -8.295 6.872 572 1HZ LYS 73 1HZ LYS 73 1.040 -6.314 8.612 573 2HZ LYS 73 2HZ LYS 73 0.511 -6.043 7.104 574 3HZ LYS 73 3HZ LYS 73 -0.608 -6.385 8.287 575 H ILE 74 H ILE 74 2.469 -7.460 14.239 576 HA ILE 74 HA ILE 74 3.216 -10.230 14.592 577 HB ILE 74 HB ILE 74 5.113 -9.609 16.106 578 1HG1 ILE 74 2HG1 ILE 74 5.005 -6.875 14.739 579 2HG1 ILE 74 3HG1 ILE 74 4.527 -7.205 16.411 580 1HG2 ILE 74 1HG2 ILE 74 6.806 -9.551 14.426 581 2HG2 ILE 74 2HG2 ILE 74 5.450 -10.456 13.755 582 3HG2 ILE 74 3HG2 ILE 74 5.730 -8.773 13.251 583 1HD1 ILE 74 1HD1 ILE 74 6.739 -6.292 16.425 584 2HD1 ILE 74 2HD1 ILE 74 6.844 -8.001 16.892 585 3HD1 ILE 74 3HD1 ILE 74 7.321 -7.484 15.255 586 H GLU 75 H GLU 75 3.220 -10.604 17.072 587 HA GLU 75 HA GLU 75 1.444 -8.783 18.538 588 1HB GLU 75 2HB GLU 75 1.291 -11.816 18.642 589 2HB GLU 75 3HB GLU 75 0.222 -10.644 19.419 590 1HG GLU 75 2HG GLU 75 0.394 -11.205 16.411 591 2HG GLU 75 3HG GLU 75 -0.861 -11.774 17.509 Start of MODEL 18 1 1H MET 1 H1 MET 1 -11.093 -15.947 -0.609 2 2H MET 1 H2 MET 1 -11.374 -16.006 1.047 3 3H MET 1 H3 MET 1 -10.327 -14.909 0.375 4 HA MET 1 HA MET 1 -8.963 -16.482 1.298 5 1HB MET 1 2HB MET 1 -10.599 -18.468 -0.353 6 2HB MET 1 3HB MET 1 -9.048 -18.843 0.414 7 1HG MET 1 2HG MET 1 -9.985 -18.304 2.634 8 2HG MET 1 3HG MET 1 -11.565 -17.987 1.895 9 1HE MET 1 1HE MET 1 -12.691 -19.608 3.627 10 2HE MET 1 2HE MET 1 -12.160 -21.286 3.882 11 3HE MET 1 3HE MET 1 -11.097 -19.941 4.355 12 H GLY 2 H GLY 2 -7.062 -17.476 -0.056 13 1HA GLY 2 2HA GLY 2 -5.687 -17.367 -1.926 14 2HA GLY 2 1HA GLY 2 -6.961 -16.584 -2.870 15 H ASP 3 H ASP 3 -7.649 -14.434 -1.519 16 HA ASP 3 HA ASP 3 -6.737 -12.150 -1.573 17 1HB ASP 3 2HB ASP 3 -6.852 -13.512 1.146 18 2HB ASP 3 3HB ASP 3 -6.785 -11.768 0.911 19 H GLY 4 H GLY 4 -4.625 -11.690 -2.445 20 1HA GLY 4 2HA GLY 4 -2.218 -12.413 -0.973 21 2HA GLY 4 1HA GLY 4 -2.373 -11.304 -2.336 22 H VAL 5 H VAL 5 -3.072 -11.623 1.146 23 HA VAL 5 HA VAL 5 -3.494 -8.793 1.592 24 HB VAL 5 HB VAL 5 -2.789 -11.062 3.486 25 1HG1 VAL 5 1HG1 VAL 5 -3.536 -8.191 4.103 26 2HG1 VAL 5 2HG1 VAL 5 -3.658 -9.512 5.287 27 3HG1 VAL 5 3HG1 VAL 5 -2.086 -9.083 4.614 28 1HG2 VAL 5 1HG2 VAL 5 -5.061 -11.179 4.106 29 2HG2 VAL 5 2HG2 VAL 5 -5.456 -9.681 3.262 30 3HG2 VAL 5 3HG2 VAL 5 -5.068 -11.157 2.336 31 H LEU 6 H LEU 6 -1.950 -7.220 1.892 32 HA LEU 6 HA LEU 6 0.541 -8.032 3.246 33 1HB LEU 6 2HB LEU 6 0.718 -7.464 0.580 34 2HB LEU 6 3HB LEU 6 0.823 -5.830 1.232 35 HG LEU 6 HG LEU 6 2.649 -6.841 2.836 36 1HD1 LEU 6 1HD1 LEU 6 3.831 -8.812 1.868 37 2HD1 LEU 6 2HD1 LEU 6 2.176 -9.249 2.305 38 3HD1 LEU 6 3HD1 LEU 6 2.588 -8.951 0.613 39 1HD2 LEU 6 1HD2 LEU 6 3.223 -5.262 1.071 40 2HD2 LEU 6 2HD2 LEU 6 4.401 -6.581 1.067 41 3HD2 LEU 6 3HD2 LEU 6 3.111 -6.530 -0.154 42 H GLU 7 H GLU 7 0.555 -6.965 5.098 43 HA GLU 7 HA GLU 7 -0.884 -4.363 5.390 44 1HB GLU 7 2HB GLU 7 -0.147 -6.424 7.495 45 2HB GLU 7 3HB GLU 7 -1.030 -4.904 7.744 46 1HG GLU 7 2HG GLU 7 -2.709 -5.736 6.033 47 2HG GLU 7 3HG GLU 7 -1.853 -7.281 6.086 48 H LEU 8 H LEU 8 1.095 -3.480 4.317 49 HA LEU 8 HA LEU 8 3.521 -3.604 5.995 50 1HB LEU 8 2HB LEU 8 4.636 -2.242 4.377 51 2HB LEU 8 3HB LEU 8 3.979 -3.718 3.698 52 HG LEU 8 HG LEU 8 3.947 -1.930 2.153 53 1HD1 LEU 8 1HD1 LEU 8 1.819 -2.134 1.218 54 2HD1 LEU 8 2HD1 LEU 8 2.076 -3.639 2.123 55 3HD1 LEU 8 3HD1 LEU 8 1.038 -2.366 2.778 56 1HD2 LEU 8 1HD2 LEU 8 2.645 0.079 2.316 57 2HD2 LEU 8 2HD2 LEU 8 2.039 -0.360 3.914 58 3HD2 LEU 8 3HD2 LEU 8 3.758 -0.010 3.689 59 H VAL 9 H VAL 9 4.474 -1.848 7.017 60 HA VAL 9 HA VAL 9 2.621 0.207 7.934 61 HB VAL 9 HB VAL 9 5.207 -0.866 8.858 62 1HG1 VAL 9 1HG1 VAL 9 5.989 1.210 9.940 63 2HG1 VAL 9 2HG1 VAL 9 6.160 1.266 8.186 64 3HG1 VAL 9 3HG1 VAL 9 4.830 2.149 8.981 65 1HG2 VAL 9 1HG2 VAL 9 3.139 0.854 10.298 66 2HG2 VAL 9 2HG2 VAL 9 2.988 -0.909 10.091 67 3HG2 VAL 9 3HG2 VAL 9 4.333 -0.228 11.027 68 H VAL 10 H VAL 10 2.715 2.312 7.074 69 HA VAL 10 HA VAL 10 4.661 2.860 4.924 70 HB VAL 10 HB VAL 10 2.774 2.317 3.685 71 1HG1 VAL 10 1HG1 VAL 10 0.463 3.228 4.257 72 2HG1 VAL 10 2HG1 VAL 10 1.111 1.944 5.292 73 3HG1 VAL 10 3HG1 VAL 10 1.107 3.624 5.860 74 1HG2 VAL 10 1HG2 VAL 10 1.936 4.394 2.752 75 2HG2 VAL 10 2HG2 VAL 10 2.464 5.282 4.195 76 3HG2 VAL 10 3HG2 VAL 10 3.667 4.552 3.112 77 H ARG 11 H ARG 11 5.561 4.828 5.034 78 HA ARG 11 HA ARG 11 4.631 6.696 7.185 79 1HB ARG 11 2HB ARG 11 7.547 6.199 6.555 80 2HB ARG 11 3HB ARG 11 6.830 7.106 7.872 81 1HG ARG 11 2HG ARG 11 5.773 4.821 8.604 82 2HG ARG 11 3HG ARG 11 7.001 4.108 7.539 83 1HD ARG 11 2HD ARG 11 7.382 5.868 9.982 84 2HD ARG 11 3HD ARG 11 7.925 4.187 9.772 85 HE ARG 11 HE ARG 11 9.306 5.426 7.771 86 1HH1 ARG 11 2HH2 ARG 11 9.180 5.949 11.232 87 2HH1 ARG 11 1HH2 ARG 11 10.571 6.997 11.277 88 1HH2 ARG 11 2HH1 ARG 11 10.956 6.966 7.730 89 2HH2 ARG 11 1HH1 ARG 11 11.693 7.511 9.209 90 H GLY 12 H GLY 12 5.465 8.911 6.863 91 1HA GLY 12 2HA GLY 12 6.201 10.676 5.516 92 2HA GLY 12 1HA GLY 12 6.101 9.678 4.066 93 H MET 13 H MET 13 3.289 8.819 5.369 94 HA MET 13 HA MET 13 1.713 10.640 3.813 95 1HB MET 13 2HB MET 13 0.924 8.534 5.854 96 2HB MET 13 3HB MET 13 -0.210 9.403 4.803 97 1HG MET 13 2HG MET 13 1.043 8.519 2.807 98 2HG MET 13 3HG MET 13 1.995 7.524 3.907 99 1HE MET 13 1HE MET 13 -0.673 6.885 5.977 100 2HE MET 13 2HE MET 13 -0.877 5.215 5.405 101 3HE MET 13 3HE MET 13 0.758 5.880 5.678 102 H THR 14 H THR 14 2.509 12.625 4.818 103 HA THR 14 HA THR 14 2.057 13.164 7.566 104 HB THR 14 HB THR 14 3.772 14.280 6.261 105 HG1 THR 14 1HG THR 14 1.818 15.775 7.615 106 1HG2 THR 14 1HG2 THR 14 2.597 14.670 4.133 107 2HG2 THR 14 2HG2 THR 14 1.506 15.828 4.929 108 3HG2 THR 14 3HG2 THR 14 3.240 16.178 4.800 109 H CYS 15 H CYS 15 -0.336 13.189 5.023 110 HA CYS 15 HA CYS 15 -2.332 13.970 6.940 111 1HB CYS 15 2HB CYS 15 -3.206 15.888 5.538 112 2HB CYS 15 3HB CYS 15 -1.735 16.211 6.438 113 H ALA 16 H ALA 16 -4.515 13.992 5.826 114 HA ALA 16 HA ALA 16 -5.060 11.567 4.599 115 1HB ALA 16 1HB ALA 16 -7.258 12.545 4.043 116 2HB ALA 16 2HB ALA 16 -6.754 12.980 5.689 117 3HB ALA 16 3HB ALA 16 -6.628 14.172 4.373 118 H SER 17 H SER 17 -4.308 14.706 3.070 119 HA SER 17 HA SER 17 -4.761 14.331 0.422 120 1HB SER 17 2HB SER 17 -2.208 15.534 1.510 121 2HB SER 17 3HB SER 17 -3.215 16.099 0.165 122 HG SER 17 HG SER 17 -3.350 17.102 2.449 123 H CYS 18 H CYS 18 -2.077 12.949 2.383 124 HA CYS 18 HA CYS 18 -0.686 11.808 0.081 125 1HB CYS 18 2HB CYS 18 -0.504 11.160 3.043 126 2HB CYS 18 3HB CYS 18 0.618 10.680 1.772 127 H VAL 19 H VAL 19 -2.727 10.636 2.755 128 HA VAL 19 HA VAL 19 -2.688 7.913 2.211 129 HB VAL 19 HB VAL 19 -4.997 9.546 3.356 130 1HG1 VAL 19 1HG1 VAL 19 -5.719 7.248 2.763 131 2HG1 VAL 19 2HG1 VAL 19 -4.352 6.602 3.706 132 3HG1 VAL 19 3HG1 VAL 19 -5.654 7.490 4.512 133 1HG2 VAL 19 1HG2 VAL 19 -2.677 8.127 4.742 134 2HG2 VAL 19 2HG2 VAL 19 -2.863 9.883 4.606 135 3HG2 VAL 19 3HG2 VAL 19 -4.029 8.945 5.546 136 H HIS 20 H HIS 20 -5.286 10.194 1.104 137 HA HIS 20 HA HIS 20 -6.486 8.082 -0.441 138 1HB HIS 20 2HB HIS 20 -8.129 9.499 -1.084 139 2HB HIS 20 3HB HIS 20 -7.670 10.124 0.499 140 HD1 HIS 20 1HD HIS 20 -8.986 11.621 -2.268 141 HD2 HIS 20 2HD HIS 20 -5.249 12.036 -0.410 142 HE1 HIS 20 1HE HIS 20 -8.098 13.923 -2.925 143 H LYS 21 H LYS 21 -3.892 10.329 -1.160 144 HA LYS 21 HA LYS 21 -4.026 10.107 -4.032 145 1HB LYS 21 2HB LYS 21 -2.875 11.922 -2.894 146 2HB LYS 21 3HB LYS 21 -1.690 10.798 -2.205 147 1HG LYS 21 2HG LYS 21 -0.951 10.227 -4.534 148 2HG LYS 21 3HG LYS 21 -2.119 11.416 -5.149 149 1HD LYS 21 2HD LYS 21 -0.986 13.144 -3.638 150 2HD LYS 21 3HD LYS 21 0.251 11.920 -3.295 151 1HE LYS 21 2HE LYS 21 0.675 11.794 -5.818 152 2HE LYS 21 3HE LYS 21 -0.447 13.144 -6.017 153 1HZ LYS 21 1HZ LYS 21 2.059 13.215 -4.459 154 2HZ LYS 21 2HZ LYS 21 1.821 13.886 -5.939 155 3HZ LYS 21 3HZ LYS 21 1.012 14.472 -4.635 156 H ILE 22 H ILE 22 -2.103 8.407 -1.452 157 HA ILE 22 HA ILE 22 -0.955 6.475 -3.195 158 HB ILE 22 HB ILE 22 -1.806 6.058 -0.298 159 1HG1 ILE 22 2HG1 ILE 22 0.805 6.950 -1.595 160 2HG1 ILE 22 3HG1 ILE 22 -0.185 7.850 -0.438 161 1HG2 ILE 22 1HG2 ILE 22 -1.486 3.907 -1.575 162 2HG2 ILE 22 2HG2 ILE 22 0.128 4.473 -2.049 163 3HG2 ILE 22 3HG2 ILE 22 -0.255 4.129 -0.355 164 1HD1 ILE 22 1HD1 ILE 22 0.263 5.821 1.153 165 2HD1 ILE 22 2HD1 ILE 22 1.611 5.476 0.058 166 3HD1 ILE 22 3HD1 ILE 22 1.542 7.025 0.909 167 H GLU 23 H GLU 23 -4.012 6.240 -1.284 168 HA GLU 23 HA GLU 23 -4.793 3.728 -2.132 169 1HB GLU 23 2HB GLU 23 -5.818 5.413 -0.417 170 2HB GLU 23 3HB GLU 23 -6.843 5.939 -1.747 171 1HG GLU 23 2HG GLU 23 -6.630 3.086 -0.678 172 2HG GLU 23 3HG GLU 23 -7.887 4.251 -0.259 173 H SER 24 H SER 24 -5.853 6.788 -3.637 174 HA SER 24 HA SER 24 -7.244 5.665 -5.819 175 1HB SER 24 2HB SER 24 -7.484 7.967 -4.958 176 2HB SER 24 3HB SER 24 -5.867 8.375 -5.569 177 HG SER 24 HG SER 24 -7.631 8.968 -6.981 178 H SER 25 H SER 25 -3.785 6.549 -5.465 179 HA SER 25 HA SER 25 -3.205 6.422 -8.306 180 1HB SER 25 2HB SER 25 -1.859 7.743 -6.695 181 2HB SER 25 3HB SER 25 -1.350 6.240 -5.890 182 HG SER 25 HG SER 25 0.193 6.903 -7.414 183 H LEU 26 H LEU 26 -2.914 4.241 -5.493 184 HA LEU 26 HA LEU 26 -1.637 2.191 -7.016 185 1HB LEU 26 2HB LEU 26 -2.578 2.544 -4.197 186 2HB LEU 26 3HB LEU 26 -2.659 0.912 -4.784 187 HG LEU 26 HG LEU 26 -0.549 1.322 -3.699 188 1HD1 LEU 26 1HD1 LEU 26 -0.644 -0.269 -5.644 189 2HD1 LEU 26 2HD1 LEU 26 0.038 0.994 -6.687 190 3HD1 LEU 26 3HD1 LEU 26 0.955 0.418 -5.305 191 1HD2 LEU 26 1HD2 LEU 26 1.109 2.908 -4.563 192 2HD2 LEU 26 2HD2 LEU 26 0.025 3.378 -5.895 193 3HD2 LEU 26 3HD2 LEU 26 -0.402 3.774 -4.224 194 H THR 27 H THR 27 -5.050 2.538 -5.881 195 HA THR 27 HA THR 27 -5.837 -0.031 -6.714 196 HB THR 27 HB THR 27 -8.101 1.074 -7.015 197 HG1 THR 27 1HG THR 27 -6.927 3.248 -5.635 198 1HG2 THR 27 1HG2 THR 27 -6.659 1.376 -4.339 199 2HG2 THR 27 2HG2 THR 27 -8.416 1.334 -4.586 200 3HG2 THR 27 3HG2 THR 27 -7.440 -0.099 -4.949 201 H LYS 28 H LYS 28 -5.197 2.770 -8.676 202 HA LYS 28 HA LYS 28 -6.278 2.165 -11.155 203 1HB LYS 28 2HB LYS 28 -4.705 4.101 -10.359 204 2HB LYS 28 3HB LYS 28 -3.401 2.936 -10.590 205 1HG LYS 28 2HG LYS 28 -3.198 3.912 -12.520 206 2HG LYS 28 3HG LYS 28 -4.407 2.724 -13.024 207 1HD LYS 28 2HD LYS 28 -4.846 5.654 -12.254 208 2HD LYS 28 3HD LYS 28 -4.976 4.961 -13.880 209 1HE LYS 28 2HE LYS 28 -6.914 3.553 -13.086 210 2HE LYS 28 3HE LYS 28 -6.807 4.346 -11.498 211 1HZ LYS 28 1HZ LYS 28 -7.283 6.424 -12.536 212 2HZ LYS 28 2HZ LYS 28 -7.397 5.719 -14.023 213 3HZ LYS 28 3HZ LYS 28 -8.475 5.337 -12.840 214 H HIS 29 H HIS 29 -3.467 0.623 -9.581 215 HA HIS 29 HA HIS 29 -2.535 -0.845 -11.874 216 1HB HIS 29 2HB HIS 29 -2.110 -1.238 -8.887 217 2HB HIS 29 3HB HIS 29 -1.320 -2.171 -10.150 218 HD1 HIS 29 1HD HIS 29 1.134 -1.384 -10.095 219 HD2 HIS 29 2HD HIS 29 -1.652 1.734 -9.633 220 HE1 HIS 29 1HE HIS 29 2.468 0.776 -9.888 221 H ARG 30 H ARG 30 -3.614 -2.495 -12.793 222 HA ARG 30 HA ARG 30 -6.037 -3.483 -11.687 223 1HB ARG 30 2HB ARG 30 -5.363 -2.978 -14.126 224 2HB ARG 30 3HB ARG 30 -4.601 -4.576 -14.117 225 1HG ARG 30 2HG ARG 30 -6.915 -5.511 -13.461 226 2HG ARG 30 3HG ARG 30 -7.548 -3.876 -13.709 227 1HD ARG 30 2HD ARG 30 -6.785 -3.927 -16.054 228 2HD ARG 30 3HD ARG 30 -6.020 -5.516 -15.773 229 HE ARG 30 HE ARG 30 -8.774 -5.664 -15.072 230 1HH1 ARG 30 2HH2 ARG 30 -6.701 -5.421 -17.903 231 2HH1 ARG 30 1HH2 ARG 30 -7.758 -6.287 -18.976 232 1HH2 ARG 30 2HH1 ARG 30 -10.227 -6.828 -16.456 233 2HH2 ARG 30 1HH1 ARG 30 -9.826 -7.099 -18.120 234 H GLY 31 H GLY 31 -3.831 -4.288 -10.002 235 1HA GLY 31 2HA GLY 31 -4.519 -7.173 -9.806 236 2HA GLY 31 1HA GLY 31 -2.847 -6.637 -9.560 237 H ILE 32 H ILE 32 -4.586 -4.022 -8.438 238 HA ILE 32 HA ILE 32 -4.348 -4.888 -5.645 239 HB ILE 32 HB ILE 32 -5.196 -2.223 -6.849 240 1HG1 ILE 32 2HG1 ILE 32 -2.851 -2.891 -7.522 241 2HG1 ILE 32 3HG1 ILE 32 -3.033 -1.388 -6.623 242 1HG2 ILE 32 1HG2 ILE 32 -4.285 -3.017 -4.053 243 2HG2 ILE 32 2HG2 ILE 32 -4.517 -1.351 -4.604 244 3HG2 ILE 32 3HG2 ILE 32 -5.903 -2.458 -4.522 245 1HD1 ILE 32 1HD1 ILE 32 -2.198 -2.315 -4.619 246 2HD1 ILE 32 2HD1 ILE 32 -2.243 -3.971 -5.287 247 3HD1 ILE 32 3HD1 ILE 32 -1.107 -2.761 -5.944 248 H LEU 33 H LEU 33 -6.048 -6.022 -4.867 249 HA LEU 33 HA LEU 33 -8.703 -5.904 -6.126 250 1HB LEU 33 2HB LEU 33 -7.779 -7.435 -3.672 251 2HB LEU 33 3HB LEU 33 -9.246 -7.714 -4.611 252 HG LEU 33 HG LEU 33 -6.385 -8.116 -5.614 253 1HD1 LEU 33 1HD1 LEU 33 -7.038 -9.746 -3.889 254 2HD1 LEU 33 2HD1 LEU 33 -8.502 -10.148 -4.814 255 3HD1 LEU 33 3HD1 LEU 33 -6.894 -10.508 -5.482 256 1HD2 LEU 33 1HD2 LEU 33 -9.061 -8.746 -6.934 257 2HD2 LEU 33 2HD2 LEU 33 -7.861 -7.555 -7.488 258 3HD2 LEU 33 3HD2 LEU 33 -7.472 -9.277 -7.526 259 H TYR 34 H TYR 34 -7.065 -4.907 -3.098 260 HA TYR 34 HA TYR 34 -9.059 -2.825 -2.750 261 1HB TYR 34 2HB TYR 34 -10.080 -4.821 -1.515 262 2HB TYR 34 3HB TYR 34 -8.607 -4.858 -0.527 263 HD1 TYR 34 HD1 TYR 34 -9.069 -4.257 1.639 264 HD2 TYR 34 HD2 TYR 34 -10.891 -2.035 -1.583 265 HE1 TYR 34 HE1 TYR 34 -9.949 -2.612 3.259 266 HE2 TYR 34 HE2 TYR 34 -11.591 -0.293 0.019 267 HH TYR 34 HH TYR 34 -11.482 0.435 2.198 268 H CYS 35 H CYS 35 -8.332 -1.238 -1.131 269 HA CYS 35 HA CYS 35 -5.645 -1.629 0.011 270 1HB CYS 35 2HB CYS 35 -5.225 -0.413 -2.091 271 2HB CYS 35 3HB CYS 35 -6.470 0.778 -1.651 272 HG CYS 35 HG CYS 35 -4.216 1.884 -1.214 273 H SER 36 H SER 36 -5.670 -0.973 2.087 274 HA SER 36 HA SER 36 -7.475 1.249 2.887 275 1HB SER 36 2HB SER 36 -8.613 -0.722 3.656 276 2HB SER 36 3HB SER 36 -7.137 -1.371 4.379 277 HG SER 36 HG SER 36 -8.677 0.886 5.151 278 H VAL 37 H VAL 37 -5.664 2.510 2.563 279 HA VAL 37 HA VAL 37 -3.284 2.280 4.254 280 HB VAL 37 HB VAL 37 -2.960 4.687 3.350 281 1HG1 VAL 37 1HG1 VAL 37 -2.792 2.228 1.598 282 2HG1 VAL 37 2HG1 VAL 37 -2.118 3.814 1.162 283 3HG1 VAL 37 3HG1 VAL 37 -1.528 2.979 2.600 284 1HG2 VAL 37 1HG2 VAL 37 -4.878 3.723 1.200 285 2HG2 VAL 37 2HG2 VAL 37 -5.372 4.831 2.502 286 3HG2 VAL 37 3HG2 VAL 37 -4.079 5.288 1.375 287 H ALA 38 H ALA 38 -2.834 3.601 6.052 288 HA ALA 38 HA ALA 38 -4.626 5.832 6.663 289 1HB ALA 38 1HB ALA 38 -5.785 4.002 7.889 290 2HB ALA 38 2HB ALA 38 -4.241 3.603 8.703 291 3HB ALA 38 3HB ALA 38 -5.014 5.166 8.997 292 H LEU 39 H LEU 39 -3.358 7.469 7.417 293 HA LEU 39 HA LEU 39 -0.605 7.033 8.261 294 1HB LEU 39 2HB LEU 39 -0.457 9.358 8.565 295 2HB LEU 39 3HB LEU 39 -1.374 9.070 7.093 296 HG LEU 39 HG LEU 39 -3.478 9.397 8.735 297 1HD1 LEU 39 1HD1 LEU 39 -3.018 11.140 10.423 298 2HD1 LEU 39 2HD1 LEU 39 -2.052 9.721 10.829 299 3HD1 LEU 39 3HD1 LEU 39 -1.289 11.102 10.036 300 1HD2 LEU 39 1HD2 LEU 39 -1.743 11.662 7.676 301 2HD2 LEU 39 2HD2 LEU 39 -2.983 10.781 6.764 302 3HD2 LEU 39 3HD2 LEU 39 -3.456 11.799 8.130 303 H ALA 40 H ALA 40 -3.767 7.365 9.783 304 HA ALA 40 HA ALA 40 -3.043 7.998 12.393 305 1HB ALA 40 1HB ALA 40 -5.358 7.983 11.555 306 2HB ALA 40 2HB ALA 40 -5.329 6.206 11.461 307 3HB ALA 40 3HB ALA 40 -5.209 7.018 13.036 308 H THR 41 H THR 41 -2.960 4.857 10.785 309 HA THR 41 HA THR 41 -1.590 3.689 13.164 310 HB THR 41 HB THR 41 -3.404 2.212 11.214 311 HG1 THR 41 1HG THR 41 -4.458 3.787 12.594 312 1HG2 THR 41 1HG2 THR 41 -2.213 1.381 13.893 313 2HG2 THR 41 2HG2 THR 41 -3.507 0.502 13.056 314 3HG2 THR 41 3HG2 THR 41 -1.912 0.615 12.314 315 H ASN 42 H ASN 42 -0.691 5.168 10.705 316 HA ASN 42 HA ASN 42 0.530 4.866 8.777 317 1HB ASN 42 2HB ASN 42 2.135 4.013 11.224 318 2HB ASN 42 3HB ASN 42 2.930 4.111 9.643 319 1HD2 ASN 42 1HD2 ASN 42 2.296 6.032 8.299 320 2HD2 ASN 42 2HD2 ASN 42 1.995 7.561 9.144 321 H LYS 43 H LYS 43 -1.153 3.019 8.203 322 HA LYS 43 HA LYS 43 0.443 0.539 7.688 323 1HB LYS 43 2HB LYS 43 -1.381 -0.874 8.359 324 2HB LYS 43 3HB LYS 43 -0.852 0.141 9.686 325 1HG LYS 43 2HG LYS 43 -3.141 0.173 9.895 326 2HG LYS 43 3HG LYS 43 -2.821 1.716 9.079 327 1HD LYS 43 2HD LYS 43 -3.578 0.793 6.948 328 2HD LYS 43 3HD LYS 43 -3.612 -0.849 7.634 329 1HE LYS 43 2HE LYS 43 -5.458 0.035 9.198 330 2HE LYS 43 3HE LYS 43 -5.426 1.523 8.238 331 1HZ LYS 43 1HZ LYS 43 -5.809 0.084 6.259 332 2HZ LYS 43 2HZ LYS 43 -6.119 -1.171 7.266 333 3HZ LYS 43 3HZ LYS 43 -7.086 0.157 7.236 334 H ALA 44 H ALA 44 -0.386 -0.785 5.979 335 HA ALA 44 HA ALA 44 -2.603 0.299 4.374 336 1HB ALA 44 1HB ALA 44 -0.411 1.261 3.449 337 2HB ALA 44 2HB ALA 44 -0.002 -0.393 2.989 338 3HB ALA 44 3HB ALA 44 -1.455 0.369 2.333 339 H HIS 45 H HIS 45 -3.921 -1.344 4.710 340 HA HIS 45 HA HIS 45 -3.020 -4.175 4.226 341 1HB HIS 45 2HB HIS 45 -4.614 -3.662 6.075 342 2HB HIS 45 3HB HIS 45 -5.763 -3.071 4.872 343 HD1 HIS 45 1HD HIS 45 -5.116 -6.093 6.747 344 HD2 HIS 45 2HD HIS 45 -5.901 -5.208 2.709 345 HE1 HIS 45 1HE HIS 45 -6.078 -8.211 5.708 346 H ILE 46 H ILE 46 -2.400 -4.261 2.182 347 HA ILE 46 HA ILE 46 -4.374 -3.434 0.111 348 HB ILE 46 HB ILE 46 -1.437 -4.157 -0.121 349 1HG1 ILE 46 2HG1 ILE 46 -1.409 -2.108 -1.535 350 2HG1 ILE 46 3HG1 ILE 46 -3.121 -1.832 -1.201 351 1HG2 ILE 46 1HG2 ILE 46 -1.924 -4.041 -2.629 352 2HG2 ILE 46 2HG2 ILE 46 -2.539 -5.482 -1.819 353 3HG2 ILE 46 3HG2 ILE 46 -3.636 -4.151 -2.226 354 1HD1 ILE 46 1HD1 ILE 46 -1.490 -0.440 0.119 355 2HD1 ILE 46 2HD1 ILE 46 -2.639 -1.342 1.119 356 3HD1 ILE 46 3HD1 ILE 46 -0.958 -1.921 0.947 357 H LYS 47 H LYS 47 -5.488 -4.970 -0.814 358 HA LYS 47 HA LYS 47 -4.865 -7.875 -0.406 359 1HB LYS 47 2HB LYS 47 -7.314 -6.335 -1.260 360 2HB LYS 47 3HB LYS 47 -7.176 -8.081 -1.466 361 1HG LYS 47 2HG LYS 47 -7.081 -6.670 1.236 362 2HG LYS 47 3HG LYS 47 -8.561 -7.251 0.460 363 1HD LYS 47 2HD LYS 47 -7.315 -9.557 0.253 364 2HD LYS 47 3HD LYS 47 -6.166 -8.852 1.389 365 1HE LYS 47 2HE LYS 47 -7.753 -10.147 2.670 366 2HE LYS 47 3HE LYS 47 -8.147 -8.448 2.979 367 1HZ LYS 47 1HZ LYS 47 -10.083 -9.831 2.508 368 2HZ LYS 47 2HZ LYS 47 -9.925 -8.672 1.342 369 3HZ LYS 47 3HZ LYS 47 -9.476 -10.223 1.040 370 H TYR 48 H TYR 48 -3.558 -8.415 -2.170 371 HA TYR 48 HA TYR 48 -4.259 -7.237 -4.820 372 1HB TYR 48 2HB TYR 48 -1.920 -7.647 -5.480 373 2HB TYR 48 3HB TYR 48 -2.134 -6.396 -4.275 374 HD1 TYR 48 HD1 TYR 48 -1.406 -10.131 -4.376 375 HD2 TYR 48 HD2 TYR 48 -0.572 -6.340 -2.524 376 HE1 TYR 48 HE1 TYR 48 0.514 -11.116 -3.208 377 HE2 TYR 48 HE2 TYR 48 1.527 -7.254 -1.618 378 HH TYR 48 HH TYR 48 2.364 -10.716 -1.926 379 H ASP 49 H ASP 49 -3.722 -8.724 -6.632 380 HA ASP 49 HA ASP 49 -3.782 -11.591 -5.846 381 1HB ASP 49 2HB ASP 49 -4.431 -12.235 -7.914 382 2HB ASP 49 3HB ASP 49 -5.316 -10.714 -7.765 383 HA PRO 50 HA PRO 50 0.611 -11.045 -6.112 384 1HB PRO 50 2HB PRO 50 1.490 -13.655 -6.080 385 2HB PRO 50 3HB PRO 50 0.863 -12.780 -4.664 386 1HG PRO 50 2HG PRO 50 -0.573 -14.732 -6.439 387 2HG PRO 50 3HG PRO 50 -0.636 -14.576 -4.651 388 1HD PRO 50 2HD PRO 50 -2.576 -13.565 -6.333 389 2HD PRO 50 3HD PRO 50 -2.146 -12.796 -4.773 390 H GLU 51 H GLU 51 -1.169 -12.298 -8.818 391 HA GLU 51 HA GLU 51 1.224 -13.213 -10.279 392 1HB GLU 51 2HB GLU 51 -1.664 -12.985 -11.210 393 2HB GLU 51 3HB GLU 51 -0.339 -13.882 -11.966 394 1HG GLU 51 2HG GLU 51 -1.645 -14.510 -9.273 395 2HG GLU 51 3HG GLU 51 -1.846 -15.402 -10.780 396 H ILE 52 H ILE 52 -1.319 -10.694 -10.371 397 HA ILE 52 HA ILE 52 0.077 -9.246 -12.520 398 HB ILE 52 HB ILE 52 -2.331 -8.430 -10.887 399 1HG1 ILE 52 2HG1 ILE 52 -2.807 -10.535 -12.080 400 2HG1 ILE 52 3HG1 ILE 52 -3.734 -9.176 -12.696 401 1HG2 ILE 52 1HG2 ILE 52 -1.431 -6.475 -11.926 402 2HG2 ILE 52 2HG2 ILE 52 -1.111 -7.328 -13.444 403 3HG2 ILE 52 3HG2 ILE 52 -2.778 -6.987 -12.944 404 1HD1 ILE 52 1HD1 ILE 52 -2.205 -8.985 -14.641 405 2HD1 ILE 52 2HD1 ILE 52 -1.245 -10.350 -14.017 406 3HD1 ILE 52 3HD1 ILE 52 -2.923 -10.597 -14.517 407 H ILE 53 H ILE 53 -0.205 -8.910 -8.902 408 HA ILE 53 HA ILE 53 1.756 -6.703 -9.064 409 HB ILE 53 HB ILE 53 -1.000 -6.838 -7.835 410 1HG1 ILE 53 2HG1 ILE 53 -0.567 -5.557 -9.953 411 2HG1 ILE 53 3HG1 ILE 53 -1.266 -4.614 -8.636 412 1HG2 ILE 53 1HG2 ILE 53 0.227 -6.486 -5.862 413 2HG2 ILE 53 2HG2 ILE 53 1.304 -5.301 -6.633 414 3HG2 ILE 53 3HG2 ILE 53 -0.413 -4.923 -6.368 415 1HD1 ILE 53 1HD1 ILE 53 0.872 -3.549 -8.160 416 2HD1 ILE 53 2HD1 ILE 53 1.702 -4.580 -9.347 417 3HD1 ILE 53 3HD1 ILE 53 0.514 -3.409 -9.889 418 H GLY 54 H GLY 54 3.510 -7.252 -7.980 419 1HA GLY 54 2HA GLY 54 3.397 -9.310 -5.845 420 2HA GLY 54 1HA GLY 54 4.824 -8.571 -6.601 421 HA PRO 55 HA PRO 55 3.814 -6.266 -2.586 422 1HB PRO 55 2HB PRO 55 6.081 -6.962 -1.189 423 2HB PRO 55 3HB PRO 55 4.581 -7.930 -1.172 424 1HG PRO 55 2HG PRO 55 7.022 -8.438 -2.861 425 2HG PRO 55 3HG PRO 55 6.093 -9.599 -1.873 426 1HD PRO 55 2HD PRO 55 5.699 -9.331 -4.554 427 2HD PRO 55 3HD PRO 55 4.333 -9.655 -3.457 428 H ARG 56 H ARG 56 6.790 -6.933 -4.399 429 HA ARG 56 HA ARG 56 8.294 -4.578 -4.132 430 1HB ARG 56 2HB ARG 56 7.879 -6.606 -6.348 431 2HB ARG 56 3HB ARG 56 8.760 -5.122 -6.677 432 1HG ARG 56 2HG ARG 56 10.290 -6.883 -6.179 433 2HG ARG 56 3HG ARG 56 10.436 -5.580 -5.005 434 1HD ARG 56 2HD ARG 56 8.863 -8.144 -4.483 435 2HD ARG 56 3HD ARG 56 10.602 -7.969 -4.163 436 HE ARG 56 HE ARG 56 9.209 -5.810 -2.928 437 1HH1 ARG 56 2HH2 ARG 56 9.773 -9.259 -2.535 438 2HH1 ARG 56 1HH2 ARG 56 9.658 -9.255 -0.802 439 1HH2 ARG 56 2HH1 ARG 56 9.076 -5.739 -0.632 440 2HH2 ARG 56 1HH1 ARG 56 9.230 -7.188 0.306 441 H ASP 57 H ASP 57 5.679 -5.161 -6.620 442 HA ASP 57 HA ASP 57 5.876 -2.715 -7.847 443 1HB ASP 57 2HB ASP 57 3.290 -4.220 -7.260 444 2HB ASP 57 3HB ASP 57 3.599 -3.100 -8.596 445 H ILE 58 H ILE 58 3.685 -3.543 -5.135 446 HA ILE 58 HA ILE 58 2.580 -0.943 -4.891 447 HB ILE 58 HB ILE 58 2.759 -3.253 -2.937 448 1HG1 ILE 58 2HG1 ILE 58 0.220 -2.246 -4.104 449 2HG1 ILE 58 3HG1 ILE 58 1.309 -3.114 -5.201 450 1HG2 ILE 58 1HG2 ILE 58 0.994 -2.085 -1.616 451 2HG2 ILE 58 2HG2 ILE 58 2.549 -1.262 -1.544 452 3HG2 ILE 58 3HG2 ILE 58 1.261 -0.625 -2.592 453 1HD1 ILE 58 1HD1 ILE 58 0.428 -4.191 -2.501 454 2HD1 ILE 58 2HD1 ILE 58 -0.258 -4.652 -4.077 455 3HD1 ILE 58 3HD1 ILE 58 1.434 -5.024 -3.708 456 H ILE 59 H ILE 59 5.237 -2.494 -3.006 457 HA ILE 59 HA ILE 59 5.785 -0.298 -1.318 458 HB ILE 59 HB ILE 59 7.454 -2.569 -2.438 459 1HG1 ILE 59 2HG1 ILE 59 6.423 -2.111 0.400 460 2HG1 ILE 59 3HG1 ILE 59 5.432 -2.902 -0.827 461 1HG2 ILE 59 1HG2 ILE 59 8.254 -0.523 -0.334 462 2HG2 ILE 59 2HG2 ILE 59 9.101 -2.059 -0.617 463 3HG2 ILE 59 3HG2 ILE 59 9.050 -0.847 -1.891 464 1HD1 ILE 59 1HD1 ILE 59 8.087 -3.907 0.227 465 2HD1 ILE 59 2HD1 ILE 59 6.471 -4.626 0.390 466 3HD1 ILE 59 3HD1 ILE 59 7.248 -4.568 -1.203 467 H HIS 60 H HIS 60 7.313 -1.171 -4.445 468 HA HIS 60 HA HIS 60 8.984 1.032 -4.770 469 1HB HIS 60 2HB HIS 60 9.056 -0.940 -6.196 470 2HB HIS 60 3HB HIS 60 7.445 -0.589 -6.836 471 HD1 HIS 60 1HD HIS 60 7.267 1.341 -8.675 472 HD2 HIS 60 2HD HIS 60 11.092 0.652 -7.063 473 HE1 HIS 60 1HE HIS 60 8.916 2.656 -10.120 474 H THR 61 H THR 61 5.466 0.767 -5.479 475 HA THR 61 HA THR 61 5.404 3.303 -6.885 476 HB THR 61 HB THR 61 3.102 1.719 -5.694 477 HG1 THR 61 1HG THR 61 4.304 0.534 -7.209 478 1HG2 THR 61 1HG2 THR 61 3.233 3.863 -7.871 479 2HG2 THR 61 2HG2 THR 61 1.806 2.888 -7.480 480 3HG2 THR 61 3HG2 THR 61 2.449 4.031 -6.285 481 H ILE 62 H ILE 62 4.533 2.235 -3.571 482 HA ILE 62 HA ILE 62 3.723 4.746 -2.514 483 HB ILE 62 HB ILE 62 5.027 2.281 -1.317 484 1HG1 ILE 62 2HG1 ILE 62 2.218 3.431 -1.070 485 2HG1 ILE 62 3HG1 ILE 62 2.676 2.187 -2.240 486 1HG2 ILE 62 1HG2 ILE 62 3.926 4.712 0.170 487 2HG2 ILE 62 2HG2 ILE 62 4.412 3.202 0.937 488 3HG2 ILE 62 3HG2 ILE 62 5.635 4.188 0.160 489 1HD1 ILE 62 1HD1 ILE 62 2.627 1.922 0.783 490 2HD1 ILE 62 2HD1 ILE 62 1.655 1.062 -0.415 491 3HD1 ILE 62 3HD1 ILE 62 3.397 0.730 -0.296 492 H GLU 63 H GLU 63 6.970 3.226 -2.632 493 HA GLU 63 HA GLU 63 8.452 5.345 -1.549 494 1HB GLU 63 2HB GLU 63 9.162 3.186 -3.545 495 2HB GLU 63 3HB GLU 63 10.355 4.281 -2.838 496 1HG GLU 63 2HG GLU 63 9.899 3.520 -0.602 497 2HG GLU 63 3HG GLU 63 8.499 2.577 -1.111 498 H SER 64 H SER 64 7.795 4.670 -5.042 499 HA SER 64 HA SER 64 9.295 6.891 -5.923 500 1HB SER 64 2HB SER 64 8.338 6.495 -8.099 501 2HB SER 64 3HB SER 64 8.767 4.955 -7.326 502 HG SER 64 HG SER 64 6.712 4.790 -8.228 503 H LEU 65 H LEU 65 5.828 6.692 -5.013 504 HA LEU 65 HA LEU 65 5.151 9.305 -5.854 505 1HB LEU 65 2HB LEU 65 4.091 7.345 -3.841 506 2HB LEU 65 3HB LEU 65 3.632 9.027 -3.615 507 HG LEU 65 HG LEU 65 1.963 7.793 -4.837 508 1HD1 LEU 65 1HD1 LEU 65 1.502 9.468 -6.484 509 2HD1 LEU 65 2HD1 LEU 65 2.312 10.257 -5.112 510 3HD1 LEU 65 3HD1 LEU 65 3.208 9.923 -6.612 511 1HD2 LEU 65 1HD2 LEU 65 2.288 7.231 -7.232 512 2HD2 LEU 65 2HD2 LEU 65 4.031 7.502 -7.052 513 3HD2 LEU 65 3HD2 LEU 65 3.219 6.216 -6.132 514 H GLY 66 H GLY 66 5.561 8.704 -2.311 515 1HA GLY 66 2HA GLY 66 7.680 10.678 -2.149 516 2HA GLY 66 1HA GLY 66 6.121 11.350 -1.640 517 H PHE 67 H PHE 67 7.070 7.920 -1.071 518 HA PHE 67 HA PHE 67 6.725 8.505 1.848 519 1HB PHE 67 2HB PHE 67 5.205 6.519 0.162 520 2HB PHE 67 3HB PHE 67 4.906 6.861 1.857 521 HD1 PHE 67 1HD PHE 67 4.712 9.671 2.152 522 HD2 PHE 67 2HD PHE 67 3.512 7.355 -1.278 523 HE1 PHE 67 1HE PHE 67 3.194 11.487 1.468 524 HE2 PHE 67 2HE PHE 67 1.929 9.148 -1.918 525 HZ PHE 67 HZ PHE 67 1.786 11.232 -0.564 526 H GLU 68 H GLU 68 6.728 6.260 3.043 527 HA GLU 68 HA GLU 68 8.987 4.570 2.003 528 1HB GLU 68 2HB GLU 68 8.298 4.957 4.917 529 2HB GLU 68 3HB GLU 68 9.729 4.203 4.234 530 1HG GLU 68 2HG GLU 68 10.610 6.401 3.570 531 2HG GLU 68 3HG GLU 68 9.127 7.198 4.135 532 H ALA 69 H ALA 69 8.689 2.269 2.587 533 HA ALA 69 HA ALA 69 6.322 1.616 4.126 534 1HB ALA 69 1HB ALA 69 6.781 0.601 1.279 535 2HB ALA 69 2HB ALA 69 5.697 -0.210 2.420 536 3HB ALA 69 3HB ALA 69 5.350 1.449 1.906 537 H SER 70 H SER 70 6.433 -0.467 5.128 538 HA SER 70 HA SER 70 8.553 -2.350 4.414 539 1HB SER 70 2HB SER 70 8.569 -0.860 7.073 540 2HB SER 70 3HB SER 70 9.351 -2.436 6.861 541 HG SER 70 HG SER 70 9.933 -0.413 5.004 542 H LEU 71 H LEU 71 7.818 -4.425 4.833 543 HA LEU 71 HA LEU 71 5.113 -5.003 5.456 544 1HB LEU 71 2HB LEU 71 7.624 -6.713 5.573 545 2HB LEU 71 3HB LEU 71 6.002 -7.308 5.936 546 HG LEU 71 HG LEU 71 5.226 -6.626 3.672 547 1HD1 LEU 71 1HD1 LEU 71 8.187 -6.026 3.226 548 2HD1 LEU 71 2HD1 LEU 71 7.026 -6.324 1.919 549 3HD1 LEU 71 3HD1 LEU 71 6.805 -4.925 2.972 550 1HD2 LEU 71 1HD2 LEU 71 6.328 -8.513 2.526 551 2HD2 LEU 71 2HD2 LEU 71 7.594 -8.541 3.772 552 3HD2 LEU 71 3HD2 LEU 71 5.913 -8.932 4.194 553 H VAL 72 H VAL 72 7.856 -5.813 7.560 554 HA VAL 72 HA VAL 72 8.191 -6.092 9.671 555 HB VAL 72 HB VAL 72 8.231 -3.697 9.594 556 1HG1 VAL 72 1HG1 VAL 72 5.977 -3.000 9.128 557 2HG1 VAL 72 2HG1 VAL 72 5.357 -3.772 10.607 558 3HG1 VAL 72 3HG1 VAL 72 6.428 -2.363 10.702 559 1HG2 VAL 72 1HG2 VAL 72 8.241 -3.313 11.978 560 2HG2 VAL 72 2HG2 VAL 72 7.170 -4.695 12.265 561 3HG2 VAL 72 3HG2 VAL 72 8.822 -4.955 11.661 562 H LYS 73 H LYS 73 4.638 -5.857 9.321 563 HA LYS 73 HA LYS 73 4.020 -6.916 11.854 564 1HB LYS 73 2HB LYS 73 2.495 -5.634 10.479 565 2HB LYS 73 3HB LYS 73 2.470 -6.901 9.252 566 1HG LYS 73 2HG LYS 73 1.798 -8.057 11.843 567 2HG LYS 73 3HG LYS 73 0.820 -6.614 11.603 568 1HD LYS 73 2HD LYS 73 -0.140 -7.394 9.594 569 2HD LYS 73 3HD LYS 73 1.045 -8.685 9.374 570 1HE LYS 73 2HE LYS 73 -0.944 -8.593 11.681 571 2HE LYS 73 3HE LYS 73 -1.233 -9.448 10.158 572 1HZ LYS 73 1HZ LYS 73 1.135 -10.060 11.856 573 2HZ LYS 73 2HZ LYS 73 -0.229 -10.920 11.950 574 3HZ LYS 73 3HZ LYS 73 0.598 -10.922 10.612 575 H ILE 74 H ILE 74 5.452 -8.649 12.148 576 HA ILE 74 HA ILE 74 5.323 -11.185 10.892 577 HB ILE 74 HB ILE 74 6.201 -12.074 12.972 578 1HG1 ILE 74 2HG1 ILE 74 5.452 -9.399 14.243 579 2HG1 ILE 74 3HG1 ILE 74 4.726 -10.976 14.591 580 1HG2 ILE 74 1HG2 ILE 74 8.221 -10.848 13.079 581 2HG2 ILE 74 2HG2 ILE 74 7.623 -10.669 11.429 582 3HG2 ILE 74 3HG2 ILE 74 7.439 -9.335 12.589 583 1HD1 ILE 74 1HD1 ILE 74 6.974 -11.796 15.357 584 2HD1 ILE 74 2HD1 ILE 74 7.580 -10.128 15.199 585 3HD1 ILE 74 3HD1 ILE 74 6.277 -10.494 16.340 586 H GLU 75 H GLU 75 4.421 -13.199 12.198 587 HA GLU 75 HA GLU 75 2.517 -14.431 11.915 588 1HB GLU 75 2HB GLU 75 2.321 -12.898 14.527 589 2HB GLU 75 3HB GLU 75 1.269 -14.260 14.121 590 1HG GLU 75 2HG GLU 75 3.105 -15.082 15.462 591 2HG GLU 75 3HG GLU 75 3.237 -15.741 13.829 Start of MODEL 19 1 1H MET 1 H1 MET 1 -3.205 -18.049 1.714 2 2H MET 1 H2 MET 1 -2.061 -18.387 2.854 3 3H MET 1 H3 MET 1 -1.634 -17.696 1.413 4 HA MET 1 HA MET 1 -1.074 -20.034 1.436 5 1HB MET 1 2HB MET 1 -4.093 -20.360 1.738 6 2HB MET 1 3HB MET 1 -2.966 -21.649 1.291 7 1HG MET 1 2HG MET 1 -1.745 -21.312 3.434 8 2HG MET 1 3HG MET 1 -2.955 -20.104 3.914 9 1HE MET 1 1HE MET 1 -3.706 -23.112 6.278 10 2HE MET 1 2HE MET 1 -2.109 -22.597 5.686 11 3HE MET 1 3HE MET 1 -3.315 -21.380 6.179 12 H GLY 2 H GLY 2 -4.113 -18.787 -0.044 13 1HA GLY 2 2HA GLY 2 -2.794 -18.683 -2.706 14 2HA GLY 2 1HA GLY 2 -4.371 -19.499 -2.549 15 H ASP 3 H ASP 3 -2.659 -16.521 -1.456 16 HA ASP 3 HA ASP 3 -5.137 -14.922 -1.451 17 1HB ASP 3 2HB ASP 3 -3.432 -15.441 1.039 18 2HB ASP 3 3HB ASP 3 -4.882 -14.443 0.939 19 H GLY 4 H GLY 4 -4.524 -12.681 -0.725 20 1HA GLY 4 2HA GLY 4 -1.705 -12.006 -0.449 21 2HA GLY 4 1HA GLY 4 -2.428 -11.389 -1.935 22 H VAL 5 H VAL 5 -2.301 -11.173 1.545 23 HA VAL 5 HA VAL 5 -3.801 -8.617 1.437 24 HB VAL 5 HB VAL 5 -4.524 -8.876 3.699 25 1HG1 VAL 5 1HG1 VAL 5 -5.342 -11.362 2.134 26 2HG1 VAL 5 2HG1 VAL 5 -6.278 -10.512 3.377 27 3HG1 VAL 5 3HG1 VAL 5 -5.958 -9.729 1.819 28 1HG2 VAL 5 1HG2 VAL 5 -2.808 -10.311 4.683 29 2HG2 VAL 5 2HG2 VAL 5 -4.397 -11.046 4.899 30 3HG2 VAL 5 3HG2 VAL 5 -3.302 -11.673 3.650 31 H LEU 6 H LEU 6 -2.577 -6.925 2.080 32 HA LEU 6 HA LEU 6 0.117 -7.499 3.197 33 1HB LEU 6 2HB LEU 6 -0.504 -6.495 0.568 34 2HB LEU 6 3HB LEU 6 0.302 -5.227 1.470 35 HG LEU 6 HG LEU 6 1.351 -8.071 1.175 36 1HD1 LEU 6 1HD1 LEU 6 2.992 -7.062 -0.356 37 2HD1 LEU 6 2HD1 LEU 6 1.343 -6.824 -0.965 38 3HD1 LEU 6 3HD1 LEU 6 2.206 -5.480 -0.193 39 1HD2 LEU 6 1HD2 LEU 6 2.720 -5.571 2.279 40 2HD2 LEU 6 2HD2 LEU 6 2.223 -6.965 3.251 41 3HD2 LEU 6 3HD2 LEU 6 3.476 -7.151 2.023 42 H GLU 7 H GLU 7 -0.284 -6.908 5.204 43 HA GLU 7 HA GLU 7 -1.081 -4.106 5.810 44 1HB GLU 7 2HB GLU 7 -0.520 -6.562 7.452 45 2HB GLU 7 3HB GLU 7 -0.433 -4.951 8.167 46 1HG GLU 7 2HG GLU 7 -2.811 -5.561 6.410 47 2HG GLU 7 3HG GLU 7 -2.732 -6.353 7.975 48 H LEU 8 H LEU 8 0.474 -2.780 5.174 49 HA LEU 8 HA LEU 8 3.236 -3.324 6.166 50 1HB LEU 8 2HB LEU 8 3.936 -1.551 4.465 51 2HB LEU 8 3HB LEU 8 3.654 -3.169 3.858 52 HG LEU 8 HG LEU 8 1.281 -1.359 3.719 53 1HD1 LEU 8 1HD1 LEU 8 2.071 -0.280 1.683 54 2HD1 LEU 8 2HD1 LEU 8 3.035 0.204 3.085 55 3HD1 LEU 8 3HD1 LEU 8 3.692 -0.971 1.916 56 1HD2 LEU 8 1HD2 LEU 8 1.060 -2.460 1.538 57 2HD2 LEU 8 2HD2 LEU 8 2.619 -3.262 1.752 58 3HD2 LEU 8 3HD2 LEU 8 1.256 -3.661 2.829 59 H VAL 9 H VAL 9 4.267 -1.632 7.176 60 HA VAL 9 HA VAL 9 2.573 0.536 8.192 61 HB VAL 9 HB VAL 9 5.114 -0.665 9.032 62 1HG1 VAL 9 1HG1 VAL 9 5.002 2.385 8.965 63 2HG1 VAL 9 2HG1 VAL 9 6.157 1.403 9.878 64 3HG1 VAL 9 3HG1 VAL 9 6.183 1.352 8.115 65 1HG2 VAL 9 1HG2 VAL 9 2.978 -0.378 10.395 66 2HG2 VAL 9 2HG2 VAL 9 4.453 0.210 11.184 67 3HG2 VAL 9 3HG2 VAL 9 3.330 1.366 10.465 68 H VAL 10 H VAL 10 2.877 2.687 7.313 69 HA VAL 10 HA VAL 10 4.778 3.045 5.146 70 HB VAL 10 HB VAL 10 2.903 2.355 3.900 71 1HG1 VAL 10 1HG1 VAL 10 0.614 3.365 4.224 72 2HG1 VAL 10 2HG1 VAL 10 1.145 2.236 5.473 73 3HG1 VAL 10 3HG1 VAL 10 1.174 3.979 5.795 74 1HG2 VAL 10 1HG2 VAL 10 2.833 5.369 4.091 75 2HG2 VAL 10 2HG2 VAL 10 3.942 4.402 3.105 76 3HG2 VAL 10 3HG2 VAL 10 2.204 4.400 2.737 77 H ARG 11 H ARG 11 5.584 5.094 5.172 78 HA ARG 11 HA ARG 11 4.475 7.099 7.040 79 1HB ARG 11 2HB ARG 11 7.018 5.571 7.356 80 2HB ARG 11 3HB ARG 11 7.205 7.320 7.486 81 1HG ARG 11 2HG ARG 11 5.033 5.874 9.017 82 2HG ARG 11 3HG ARG 11 6.701 5.917 9.612 83 1HD ARG 11 2HD ARG 11 6.768 8.297 9.667 84 2HD ARG 11 3HD ARG 11 5.192 8.443 8.848 85 HE ARG 11 HE ARG 11 4.691 6.943 11.143 86 1HH1 ARG 11 2HH2 ARG 11 5.951 10.161 10.498 87 2HH1 ARG 11 1HH2 ARG 11 5.095 10.935 11.798 88 1HH2 ARG 11 2HH1 ARG 11 3.411 7.930 12.730 89 2HH2 ARG 11 1HH1 ARG 11 3.685 9.587 13.202 90 H GLY 12 H GLY 12 5.803 9.169 6.768 91 1HA GLY 12 2HA GLY 12 6.363 10.882 5.277 92 2HA GLY 12 1HA GLY 12 6.217 9.793 3.899 93 H MET 13 H MET 13 3.521 8.897 5.444 94 HA MET 13 HA MET 13 1.715 10.513 3.935 95 1HB MET 13 2HB MET 13 1.363 8.485 6.179 96 2HB MET 13 3HB MET 13 0.015 9.312 5.363 97 1HG MET 13 2HG MET 13 0.511 8.393 3.275 98 2HG MET 13 3HG MET 13 2.072 7.744 3.798 99 1HE MET 13 1HE MET 13 -1.175 7.457 6.025 100 2HE MET 13 2HE MET 13 -1.819 7.499 4.359 101 3HE MET 13 3HE MET 13 -1.928 6.012 5.343 102 H THR 14 H THR 14 2.558 12.609 4.709 103 HA THR 14 HA THR 14 2.165 13.519 7.355 104 HB THR 14 HB THR 14 2.137 15.817 6.408 105 HG1 THR 14 1HG THR 14 2.405 14.497 3.907 106 1HG2 THR 14 1HG2 THR 14 4.266 14.667 6.922 107 2HG2 THR 14 2HG2 THR 14 4.311 13.994 5.280 108 3HG2 THR 14 3HG2 THR 14 4.418 15.746 5.523 109 H CYS 15 H CYS 15 -0.267 13.518 4.675 110 HA CYS 15 HA CYS 15 -2.381 14.165 6.652 111 1HB CYS 15 2HB CYS 15 -2.939 16.241 5.518 112 2HB CYS 15 3HB CYS 15 -1.244 16.278 5.973 113 H ALA 16 H ALA 16 -4.446 14.716 5.322 114 HA ALA 16 HA ALA 16 -5.495 12.437 4.147 115 1HB ALA 16 1HB ALA 16 -6.850 14.273 5.035 116 2HB ALA 16 2HB ALA 16 -6.320 15.334 3.709 117 3HB ALA 16 3HB ALA 16 -7.314 13.903 3.364 118 H SER 17 H SER 17 -3.911 15.250 2.570 119 HA SER 17 HA SER 17 -4.430 14.532 -0.101 120 1HB SER 17 2HB SER 17 -2.023 16.059 0.923 121 2HB SER 17 3HB SER 17 -2.763 16.127 -0.682 122 HG SER 17 HG SER 17 -4.710 16.859 0.391 123 H CYS 18 H CYS 18 -2.048 13.242 2.219 124 HA CYS 18 HA CYS 18 -0.587 11.767 0.143 125 1HB CYS 18 2HB CYS 18 -0.601 11.369 3.153 126 2HB CYS 18 3HB CYS 18 0.466 10.633 1.958 127 H VAL 19 H VAL 19 -2.859 10.982 2.803 128 HA VAL 19 HA VAL 19 -3.310 8.339 2.447 129 HB VAL 19 HB VAL 19 -5.295 10.534 3.078 130 1HG1 VAL 19 1HG1 VAL 19 -6.697 8.681 2.350 131 2HG1 VAL 19 2HG1 VAL 19 -5.851 7.582 3.450 132 3HG1 VAL 19 3HG1 VAL 19 -6.799 8.923 4.091 133 1HG2 VAL 19 1HG2 VAL 19 -4.972 9.873 5.386 134 2HG2 VAL 19 2HG2 VAL 19 -3.949 8.509 4.902 135 3HG2 VAL 19 3HG2 VAL 19 -3.383 10.174 4.671 136 H HIS 20 H HIS 20 -5.397 10.766 0.754 137 HA HIS 20 HA HIS 20 -6.613 8.630 -0.742 138 1HB HIS 20 2HB HIS 20 -8.021 10.128 -1.706 139 2HB HIS 20 3HB HIS 20 -7.712 10.813 -0.112 140 HD1 HIS 20 1HD HIS 20 -8.606 12.300 -2.988 141 HD2 HIS 20 2HD HIS 20 -4.950 12.387 -0.926 142 HE1 HIS 20 1HE HIS 20 -7.416 14.444 -3.702 143 H LYS 21 H LYS 21 -3.762 10.572 -1.338 144 HA LYS 21 HA LYS 21 -3.667 10.216 -4.210 145 1HB LYS 21 2HB LYS 21 -2.526 12.049 -3.180 146 2HB LYS 21 3HB LYS 21 -1.605 10.973 -2.114 147 1HG LYS 21 2HG LYS 21 -0.370 10.071 -4.020 148 2HG LYS 21 3HG LYS 21 -1.322 11.097 -5.130 149 1HD LYS 21 2HD LYS 21 -0.460 13.134 -4.020 150 2HD LYS 21 3HD LYS 21 0.291 12.169 -2.756 151 1HE LYS 21 2HE LYS 21 1.999 12.965 -4.280 152 2HE LYS 21 3HE LYS 21 1.903 11.202 -4.325 153 1HZ LYS 21 1HZ LYS 21 2.093 12.162 -6.514 154 2HZ LYS 21 2HZ LYS 21 0.647 11.392 -6.371 155 3HZ LYS 21 3HZ LYS 21 0.716 13.037 -6.311 156 H ILE 22 H ILE 22 -2.074 8.630 -1.380 157 HA ILE 22 HA ILE 22 -0.746 6.589 -2.876 158 HB ILE 22 HB ILE 22 -1.863 6.494 -0.033 159 1HG1 ILE 22 2HG1 ILE 22 0.882 7.074 -1.196 160 2HG1 ILE 22 3HG1 ILE 22 -0.195 8.236 -0.398 161 1HG2 ILE 22 1HG2 ILE 22 -1.494 4.193 -0.972 162 2HG2 ILE 22 2HG2 ILE 22 0.166 4.657 -1.396 163 3HG2 ILE 22 3HG2 ILE 22 -0.350 4.565 0.298 164 1HD1 ILE 22 1HD1 ILE 22 1.319 5.943 0.891 165 2HD1 ILE 22 2HD1 ILE 22 1.409 7.673 1.238 166 3HD1 ILE 22 3HD1 ILE 22 -0.058 6.764 1.671 167 H GLU 23 H GLU 23 -3.889 6.509 -1.139 168 HA GLU 23 HA GLU 23 -4.642 3.942 -1.850 169 1HB GLU 23 2HB GLU 23 -5.691 5.470 -0.182 170 2HB GLU 23 3HB GLU 23 -6.472 6.367 -1.491 171 1HG GLU 23 2HG GLU 23 -6.823 3.384 -1.023 172 2HG GLU 23 3HG GLU 23 -7.867 4.624 -0.307 173 H SER 24 H SER 24 -5.789 6.917 -3.522 174 HA SER 24 HA SER 24 -7.052 5.644 -5.655 175 1HB SER 24 2HB SER 24 -7.318 8.002 -5.004 176 2HB SER 24 3HB SER 24 -5.692 8.369 -5.624 177 HG SER 24 HG SER 24 -7.463 8.800 -7.105 178 H SER 25 H SER 25 -3.584 6.516 -5.298 179 HA SER 25 HA SER 25 -2.981 6.191 -8.109 180 1HB SER 25 2HB SER 25 -1.602 7.589 -6.615 181 2HB SER 25 3HB SER 25 -1.135 6.151 -5.682 182 HG SER 25 HG SER 25 -0.658 6.577 -8.462 183 H LEU 26 H LEU 26 -2.458 4.174 -5.168 184 HA LEU 26 HA LEU 26 -1.479 1.857 -6.481 185 1HB LEU 26 2HB LEU 26 -2.937 2.497 -3.895 186 2HB LEU 26 3HB LEU 26 -2.871 0.833 -4.431 187 HG LEU 26 HG LEU 26 -0.535 0.728 -4.406 188 1HD1 LEU 26 1HD1 LEU 26 0.062 3.064 -5.102 189 2HD1 LEU 26 2HD1 LEU 26 -0.460 3.655 -3.516 190 3HD1 LEU 26 3HD1 LEU 26 0.932 2.570 -3.646 191 1HD2 LEU 26 1HD2 LEU 26 -1.642 0.301 -2.317 192 2HD2 LEU 26 2HD2 LEU 26 -0.154 1.193 -1.927 193 3HD2 LEU 26 3HD2 LEU 26 -1.717 2.027 -1.915 194 H THR 27 H THR 27 -4.861 2.807 -5.706 195 HA THR 27 HA THR 27 -6.019 0.514 -6.820 196 HB THR 27 HB THR 27 -7.153 3.277 -6.333 197 HG1 THR 27 1HG THR 27 -7.443 2.458 -4.320 198 1HG2 THR 27 1HG2 THR 27 -9.308 2.044 -6.038 199 2HG2 THR 27 2HG2 THR 27 -8.757 2.022 -7.721 200 3HG2 THR 27 3HG2 THR 27 -8.546 0.581 -6.696 201 H LYS 28 H LYS 28 -4.386 2.996 -8.611 202 HA LYS 28 HA LYS 28 -5.905 2.590 -11.048 203 1HB LYS 28 2HB LYS 28 -4.386 3.922 -12.113 204 2HB LYS 28 3HB LYS 28 -4.384 4.556 -10.477 205 1HG LYS 28 2HG LYS 28 -2.141 4.492 -10.709 206 2HG LYS 28 3HG LYS 28 -2.299 2.778 -10.356 207 1HD LYS 28 2HD LYS 28 -2.402 2.281 -12.800 208 2HD LYS 28 3HD LYS 28 -2.133 4.009 -13.121 209 1HE LYS 28 2HE LYS 28 0.015 3.916 -11.853 210 2HE LYS 28 3HE LYS 28 -0.267 2.214 -11.471 211 1HZ LYS 28 1HZ LYS 28 1.239 2.445 -13.270 212 2HZ LYS 28 2HZ LYS 28 -0.130 1.708 -13.801 213 3HZ LYS 28 3HZ LYS 28 0.153 3.291 -14.172 214 H HIS 29 H HIS 29 -3.540 0.668 -9.320 215 HA HIS 29 HA HIS 29 -2.577 -0.807 -11.659 216 1HB HIS 29 2HB HIS 29 -2.495 -1.478 -8.686 217 2HB HIS 29 3HB HIS 29 -1.738 -2.410 -9.974 218 HD1 HIS 29 1HD HIS 29 0.845 -1.961 -9.815 219 HD2 HIS 29 2HD HIS 29 -1.550 1.380 -8.910 220 HE1 HIS 29 1HE HIS 29 2.403 -0.043 -9.277 221 H ARG 30 H ARG 30 -3.497 -2.754 -12.450 222 HA ARG 30 HA ARG 30 -6.299 -3.132 -11.698 223 1HB ARG 30 2HB ARG 30 -5.559 -3.139 -14.036 224 2HB ARG 30 3HB ARG 30 -4.565 -4.581 -13.752 225 1HG ARG 30 2HG ARG 30 -6.495 -5.948 -13.310 226 2HG ARG 30 3HG ARG 30 -7.562 -4.543 -13.215 227 1HD ARG 30 2HD ARG 30 -6.052 -5.470 -15.706 228 2HD ARG 30 3HD ARG 30 -7.735 -5.858 -15.390 229 HE ARG 30 HE ARG 30 -6.634 -3.388 -16.423 230 1HH1 ARG 30 2HH2 ARG 30 -9.308 -4.659 -14.523 231 2HH1 ARG 30 1HH2 ARG 30 -10.412 -3.368 -14.882 232 1HH2 ARG 30 2HH1 ARG 30 -8.050 -1.624 -16.912 233 2HH2 ARG 30 1HH1 ARG 30 -9.661 -1.592 -16.275 234 H GLY 31 H GLY 31 -3.273 -4.751 -10.955 235 1HA GLY 31 2HA GLY 31 -4.581 -7.253 -10.192 236 2HA GLY 31 1HA GLY 31 -2.877 -6.844 -10.094 237 H ILE 32 H ILE 32 -4.696 -4.379 -8.578 238 HA ILE 32 HA ILE 32 -4.334 -5.585 -5.904 239 HB ILE 32 HB ILE 32 -5.344 -3.398 -5.111 240 1HG1 ILE 32 2HG1 ILE 32 -4.802 -1.421 -6.388 241 2HG1 ILE 32 3HG1 ILE 32 -4.374 -2.398 -7.788 242 1HG2 ILE 32 1HG2 ILE 32 -2.570 -3.439 -6.349 243 2HG2 ILE 32 2HG2 ILE 32 -3.118 -2.369 -5.044 244 3HG2 ILE 32 3HG2 ILE 32 -3.008 -4.109 -4.762 245 1HD1 ILE 32 1HD1 ILE 32 -6.683 -1.358 -7.861 246 2HD1 ILE 32 2HD1 ILE 32 -6.714 -3.107 -8.033 247 3HD1 ILE 32 3HD1 ILE 32 -7.134 -2.355 -6.466 248 H LEU 33 H LEU 33 -6.141 -5.663 -4.487 249 HA LEU 33 HA LEU 33 -8.777 -6.192 -5.812 250 1HB LEU 33 2HB LEU 33 -7.681 -7.392 -3.246 251 2HB LEU 33 3HB LEU 33 -9.202 -7.794 -4.041 252 HG LEU 33 HG LEU 33 -6.434 -8.280 -5.238 253 1HD1 LEU 33 1HD1 LEU 33 -6.813 -9.654 -3.230 254 2HD1 LEU 33 2HD1 LEU 33 -8.351 -10.231 -3.909 255 3HD1 LEU 33 3HD1 LEU 33 -6.813 -10.638 -4.700 256 1HD2 LEU 33 1HD2 LEU 33 -7.658 -9.747 -6.823 257 2HD2 LEU 33 2HD2 LEU 33 -9.201 -9.201 -6.131 258 3HD2 LEU 33 3HD2 LEU 33 -8.145 -8.056 -6.990 259 H TYR 34 H TYR 34 -7.058 -4.757 -2.972 260 HA TYR 34 HA TYR 34 -9.098 -2.726 -2.830 261 1HB TYR 34 2HB TYR 34 -10.176 -4.526 -1.479 262 2HB TYR 34 3HB TYR 34 -8.716 -4.634 -0.488 263 HD1 TYR 34 HD1 TYR 34 -11.169 -2.023 -1.654 264 HD2 TYR 34 HD2 TYR 34 -8.728 -3.529 1.568 265 HE1 TYR 34 HE1 TYR 34 -12.006 -0.223 -0.175 266 HE2 TYR 34 HE2 TYR 34 -9.677 -1.816 3.082 267 HH TYR 34 HH TYR 34 -11.908 0.723 1.921 268 H CYS 35 H CYS 35 -8.413 -0.959 -1.420 269 HA CYS 35 HA CYS 35 -5.646 -1.034 -0.328 270 1HB CYS 35 2HB CYS 35 -6.769 1.135 -2.155 271 2HB CYS 35 3HB CYS 35 -5.214 1.173 -1.327 272 HG CYS 35 HG CYS 35 -5.321 0.749 -4.032 273 H SER 36 H SER 36 -5.711 -0.141 1.714 274 HA SER 36 HA SER 36 -7.350 2.248 2.090 275 1HB SER 36 2HB SER 36 -8.824 0.462 2.967 276 2HB SER 36 3HB SER 36 -7.509 -0.117 4.014 277 HG SER 36 HG SER 36 -8.943 2.327 4.119 278 H VAL 37 H VAL 37 -6.290 3.648 3.608 279 HA VAL 37 HA VAL 37 -3.696 2.766 4.683 280 HB VAL 37 HB VAL 37 -2.468 4.511 3.653 281 1HG1 VAL 37 1HG1 VAL 37 -2.513 4.034 1.319 282 2HG1 VAL 37 2HG1 VAL 37 -2.879 2.516 2.160 283 3HG1 VAL 37 3HG1 VAL 37 -4.178 3.442 1.376 284 1HG2 VAL 37 1HG2 VAL 37 -5.096 5.475 2.454 285 2HG2 VAL 37 2HG2 VAL 37 -4.057 6.331 3.636 286 3HG2 VAL 37 3HG2 VAL 37 -3.489 6.058 1.982 287 H ALA 38 H ALA 38 -3.078 3.882 6.526 288 HA ALA 38 HA ALA 38 -4.916 5.980 7.594 289 1HB ALA 38 1HB ALA 38 -5.744 3.822 8.403 290 2HB ALA 38 2HB ALA 38 -4.119 3.384 8.973 291 3HB ALA 38 3HB ALA 38 -4.991 4.735 9.728 292 H LEU 39 H LEU 39 -3.577 7.625 7.906 293 HA LEU 39 HA LEU 39 -0.764 7.421 8.485 294 1HB LEU 39 2HB LEU 39 -0.944 9.926 8.845 295 2HB LEU 39 3HB LEU 39 -1.260 9.281 7.252 296 HG LEU 39 HG LEU 39 -3.672 9.588 7.508 297 1HD1 LEU 39 1HD1 LEU 39 -4.139 9.410 9.857 298 2HD1 LEU 39 2HD1 LEU 39 -2.944 10.673 10.264 299 3HD1 LEU 39 3HD1 LEU 39 -4.450 11.084 9.420 300 1HD2 LEU 39 1HD2 LEU 39 -2.038 12.059 8.192 301 2HD2 LEU 39 2HD2 LEU 39 -2.195 11.343 6.576 302 3HD2 LEU 39 3HD2 LEU 39 -3.620 12.021 7.383 303 H ALA 40 H ALA 40 -3.567 7.500 10.551 304 HA ALA 40 HA ALA 40 -2.205 8.416 12.938 305 1HB ALA 40 1HB ALA 40 -4.154 7.439 14.104 306 2HB ALA 40 2HB ALA 40 -4.658 8.461 12.744 307 3HB ALA 40 3HB ALA 40 -4.705 6.690 12.590 308 H THR 41 H THR 41 -3.148 5.194 11.656 309 HA THR 41 HA THR 41 -1.546 3.726 13.525 310 HB THR 41 HB THR 41 -2.608 2.635 10.925 311 HG1 THR 41 1HG THR 41 -4.186 3.494 13.102 312 1HG2 THR 41 1HG2 THR 41 -2.632 1.690 13.841 313 2HG2 THR 41 2HG2 THR 41 -3.345 0.802 12.491 314 3HG2 THR 41 3HG2 THR 41 -1.587 1.069 12.545 315 H ASN 42 H ASN 42 -0.990 5.204 10.422 316 HA ASN 42 HA ASN 42 0.710 5.358 8.982 317 1HB ASN 42 2HB ASN 42 2.444 4.184 11.215 318 2HB ASN 42 3HB ASN 42 3.044 4.841 9.690 319 1HD2 ASN 42 1HD2 ASN 42 1.812 7.074 9.187 320 2HD2 ASN 42 2HD2 ASN 42 1.426 8.028 10.584 321 H LYS 43 H LYS 43 -1.025 3.428 8.575 322 HA LYS 43 HA LYS 43 0.619 1.143 7.669 323 1HB LYS 43 2HB LYS 43 0.081 0.186 9.655 324 2HB LYS 43 3HB LYS 43 -1.392 1.108 9.876 325 1HG LYS 43 2HG LYS 43 -1.217 -1.189 7.898 326 2HG LYS 43 3HG LYS 43 -1.613 -1.359 9.585 327 1HD LYS 43 2HD LYS 43 -3.214 0.816 8.331 328 2HD LYS 43 3HD LYS 43 -3.461 -0.746 7.537 329 1HE LYS 43 2HE LYS 43 -3.637 -0.282 10.543 330 2HE LYS 43 3HE LYS 43 -5.030 -0.210 9.469 331 1HZ LYS 43 1HZ LYS 43 -4.771 -2.418 10.505 332 2HZ LYS 43 2HZ LYS 43 -4.550 -2.582 8.875 333 3HZ LYS 43 3HZ LYS 43 -3.287 -2.592 9.796 334 H ALA 44 H ALA 44 -0.456 -0.289 6.164 335 HA ALA 44 HA ALA 44 -2.832 0.843 4.881 336 1HB ALA 44 1HB ALA 44 -1.043 1.879 3.551 337 2HB ALA 44 2HB ALA 44 -0.229 0.309 3.373 338 3HB ALA 44 3HB ALA 44 -1.818 0.577 2.628 339 H HIS 45 H HIS 45 -4.157 -0.575 4.367 340 HA HIS 45 HA HIS 45 -3.542 -3.503 4.574 341 1HB HIS 45 2HB HIS 45 -5.218 -2.471 6.190 342 2HB HIS 45 3HB HIS 45 -6.210 -2.052 4.795 343 HD1 HIS 45 1HD HIS 45 -5.246 -4.939 6.974 344 HD2 HIS 45 2HD HIS 45 -6.790 -4.257 3.160 345 HE1 HIS 45 1HE HIS 45 -6.185 -7.210 6.158 346 H ILE 46 H ILE 46 -2.779 -3.825 2.590 347 HA ILE 46 HA ILE 46 -4.466 -3.039 0.269 348 HB ILE 46 HB ILE 46 -1.915 -4.638 0.123 349 1HG1 ILE 46 2HG1 ILE 46 -1.195 -2.770 1.453 350 2HG1 ILE 46 3HG1 ILE 46 -0.604 -2.633 -0.190 351 1HG2 ILE 46 1HG2 ILE 46 -3.337 -2.724 -1.782 352 2HG2 ILE 46 2HG2 ILE 46 -1.782 -3.511 -2.105 353 3HG2 ILE 46 3HG2 ILE 46 -3.243 -4.482 -1.898 354 1HD1 ILE 46 1HD1 ILE 46 -1.301 -0.464 0.563 355 2HD1 ILE 46 2HD1 ILE 46 -2.481 -0.987 -0.653 356 3HD1 ILE 46 3HD1 ILE 46 -2.890 -1.067 1.071 357 H LYS 47 H LYS 47 -5.431 -4.713 -0.930 358 HA LYS 47 HA LYS 47 -4.816 -7.498 -0.162 359 1HB LYS 47 2HB LYS 47 -7.553 -6.464 -0.881 360 2HB LYS 47 3HB LYS 47 -7.106 -8.176 -0.608 361 1HG LYS 47 2HG LYS 47 -6.349 -7.365 1.737 362 2HG LYS 47 3HG LYS 47 -7.271 -5.905 1.418 363 1HD LYS 47 2HD LYS 47 -8.380 -8.765 1.460 364 2HD LYS 47 3HD LYS 47 -8.453 -7.599 2.773 365 1HE LYS 47 2HE LYS 47 -10.591 -7.546 1.789 366 2HE LYS 47 3HE LYS 47 -9.797 -6.040 1.321 367 1HZ LYS 47 1HZ LYS 47 -9.375 -7.032 -0.835 368 2HZ LYS 47 2HZ LYS 47 -10.059 -8.453 -0.368 369 3HZ LYS 47 3HZ LYS 47 -10.976 -7.094 -0.497 370 H TYR 48 H TYR 48 -4.304 -8.669 -2.056 371 HA TYR 48 HA TYR 48 -4.440 -7.295 -4.644 372 1HB TYR 48 2HB TYR 48 -2.097 -6.969 -4.805 373 2HB TYR 48 3HB TYR 48 -2.591 -6.168 -3.330 374 HD1 TYR 48 HD1 TYR 48 -0.210 -8.377 -4.779 375 HD2 TYR 48 HD2 TYR 48 -2.301 -7.589 -1.087 376 HE1 TYR 48 HE1 TYR 48 1.452 -9.723 -3.538 377 HE2 TYR 48 HE2 TYR 48 -0.683 -9.038 0.114 378 HH TYR 48 HH TYR 48 1.959 -10.750 -1.537 379 H ASP 49 H ASP 49 -3.418 -8.619 -6.391 380 HA ASP 49 HA ASP 49 -3.483 -11.495 -5.689 381 1HB ASP 49 2HB ASP 49 -4.816 -10.811 -7.557 382 2HB ASP 49 3HB ASP 49 -3.413 -10.073 -8.336 383 HA PRO 50 HA PRO 50 0.902 -11.030 -5.290 384 1HB PRO 50 2HB PRO 50 1.681 -13.599 -4.809 385 2HB PRO 50 3HB PRO 50 0.721 -12.632 -3.649 386 1HG PRO 50 2HG PRO 50 -0.312 -14.633 -5.675 387 2HG PRO 50 3HG PRO 50 -0.692 -14.542 -3.925 388 1HD PRO 50 2HD PRO 50 -2.317 -13.457 -5.817 389 2HD PRO 50 3HD PRO 50 -2.068 -12.643 -4.240 390 H GLU 51 H GLU 51 -0.510 -12.724 -8.034 391 HA GLU 51 HA GLU 51 2.198 -12.834 -9.308 392 1HB GLU 51 2HB GLU 51 1.394 -14.819 -10.538 393 2HB GLU 51 3HB GLU 51 1.630 -15.055 -8.805 394 1HG GLU 51 2HG GLU 51 -0.824 -14.888 -8.435 395 2HG GLU 51 3HG GLU 51 -1.058 -14.690 -10.178 396 H ILE 52 H ILE 52 0.020 -10.712 -9.263 397 HA ILE 52 HA ILE 52 0.716 -10.174 -12.056 398 HB ILE 52 HB ILE 52 -1.523 -10.671 -12.415 399 1HG1 ILE 52 2HG1 ILE 52 -2.525 -8.577 -13.162 400 2HG1 ILE 52 3HG1 ILE 52 -1.405 -7.632 -12.172 401 1HG2 ILE 52 1HG2 ILE 52 -2.319 -9.014 -10.028 402 2HG2 ILE 52 2HG2 ILE 52 -3.435 -9.653 -11.249 403 3HG2 ILE 52 3HG2 ILE 52 -2.464 -10.766 -10.291 404 1HD1 ILE 52 1HD1 ILE 52 0.493 -8.448 -13.515 405 2HD1 ILE 52 2HD1 ILE 52 -0.583 -9.547 -14.403 406 3HD1 ILE 52 3HD1 ILE 52 -0.750 -7.785 -14.590 407 H ILE 53 H ILE 53 -0.666 -8.444 -9.137 408 HA ILE 53 HA ILE 53 1.094 -6.191 -9.861 409 HB ILE 53 HB ILE 53 -1.281 -6.063 -8.843 410 1HG1 ILE 53 2HG1 ILE 53 -0.188 -4.128 -9.510 411 2HG1 ILE 53 3HG1 ILE 53 -0.847 -3.867 -7.894 412 1HG2 ILE 53 1HG2 ILE 53 -0.919 -7.333 -6.814 413 2HG2 ILE 53 2HG2 ILE 53 0.255 -6.121 -6.236 414 3HG2 ILE 53 3HG2 ILE 53 -1.432 -5.669 -6.497 415 1HD1 ILE 53 1HD1 ILE 53 2.005 -4.244 -8.753 416 2HD1 ILE 53 2HD1 ILE 53 1.313 -2.894 -7.840 417 3HD1 ILE 53 3HD1 ILE 53 1.548 -4.454 -7.040 418 H GLY 54 H GLY 54 0.808 -8.724 -7.314 419 1HA GLY 54 2HA GLY 54 2.504 -9.737 -6.152 420 2HA GLY 54 1HA GLY 54 3.703 -8.865 -7.111 421 HA PRO 55 HA PRO 55 3.029 -7.327 -2.707 422 1HB PRO 55 2HB PRO 55 5.367 -8.112 -1.452 423 2HB PRO 55 3HB PRO 55 3.910 -9.129 -1.607 424 1HG PRO 55 2HG PRO 55 6.392 -9.193 -3.333 425 2HG PRO 55 3HG PRO 55 5.488 -10.565 -2.646 426 1HD PRO 55 2HD PRO 55 5.130 -9.736 -5.233 427 2HD PRO 55 3HD PRO 55 3.782 -10.377 -4.256 428 H ARG 56 H ARG 56 6.371 -7.296 -4.129 429 HA ARG 56 HA ARG 56 6.915 -4.911 -2.711 430 1HB ARG 56 2HB ARG 56 8.583 -6.749 -3.681 431 2HB ARG 56 3HB ARG 56 8.660 -5.608 -5.038 432 1HG ARG 56 2HG ARG 56 8.911 -3.831 -3.038 433 2HG ARG 56 3HG ARG 56 9.419 -5.240 -2.123 434 1HD ARG 56 2HD ARG 56 11.256 -5.629 -3.715 435 2HD ARG 56 3HD ARG 56 10.711 -4.305 -4.744 436 HE ARG 56 HE ARG 56 12.288 -4.125 -2.329 437 1HH1 ARG 56 2HH2 ARG 56 9.890 -2.351 -4.245 438 2HH1 ARG 56 1HH2 ARG 56 10.348 -0.785 -3.608 439 1HH2 ARG 56 2HH1 ARG 56 12.808 -2.025 -1.404 440 2HH2 ARG 56 1HH1 ARG 56 11.890 -0.634 -1.904 441 H ASP 57 H ASP 57 5.341 -5.269 -5.811 442 HA ASP 57 HA ASP 57 6.349 -2.794 -6.845 443 1HB ASP 57 2HB ASP 57 5.555 -4.651 -8.282 444 2HB ASP 57 3HB ASP 57 3.909 -4.277 -7.765 445 H ILE 58 H ILE 58 3.427 -3.589 -5.007 446 HA ILE 58 HA ILE 58 2.287 -1.009 -4.864 447 HB ILE 58 HB ILE 58 2.757 -2.972 -2.563 448 1HG1 ILE 58 2HG1 ILE 58 0.088 -2.633 -3.912 449 2HG1 ILE 58 3HG1 ILE 58 1.293 -3.541 -4.822 450 1HG2 ILE 58 1HG2 ILE 58 2.214 -0.792 -1.671 451 2HG2 ILE 58 2HG2 ILE 58 0.921 -0.583 -2.873 452 3HG2 ILE 58 3HG2 ILE 58 0.769 -1.793 -1.590 453 1HD1 ILE 58 1HD1 ILE 58 1.665 -5.077 -2.995 454 2HD1 ILE 58 2HD1 ILE 58 0.523 -4.193 -1.960 455 3HD1 ILE 58 3HD1 ILE 58 -0.058 -5.037 -3.418 456 H ILE 59 H ILE 59 5.089 -2.375 -3.039 457 HA ILE 59 HA ILE 59 5.647 0.042 -1.663 458 HB ILE 59 HB ILE 59 7.244 -2.467 -2.112 459 1HG1 ILE 59 2HG1 ILE 59 6.088 -1.378 0.471 460 2HG1 ILE 59 3HG1 ILE 59 5.044 -2.264 -0.644 461 1HG2 ILE 59 1HG2 ILE 59 8.831 -0.656 -1.810 462 2HG2 ILE 59 2HG2 ILE 59 7.923 -0.036 -0.419 463 3HG2 ILE 59 3HG2 ILE 59 8.751 -1.609 -0.330 464 1HD1 ILE 59 1HD1 ILE 59 7.610 -3.402 0.513 465 2HD1 ILE 59 2HD1 ILE 59 5.955 -3.756 1.052 466 3HD1 ILE 59 3HD1 ILE 59 6.464 -4.210 -0.585 467 H HIS 60 H HIS 60 6.965 -1.239 -4.806 468 HA HIS 60 HA HIS 60 8.737 0.891 -5.389 469 1HB HIS 60 2HB HIS 60 6.772 -0.342 -7.376 470 2HB HIS 60 3HB HIS 60 8.161 0.652 -7.755 471 HD1 HIS 60 1HD HIS 60 7.555 -2.445 -8.650 472 HD2 HIS 60 2HD HIS 60 10.406 -0.828 -6.006 473 HE1 HIS 60 1HE HIS 60 9.472 -4.160 -8.475 474 H THR 61 H THR 61 5.173 0.742 -5.621 475 HA THR 61 HA THR 61 4.966 3.274 -6.964 476 HB THR 61 HB THR 61 2.786 1.910 -5.329 477 HG1 THR 61 1HG THR 61 3.779 0.455 -6.848 478 1HG2 THR 61 1HG2 THR 61 1.341 2.944 -7.062 479 2HG2 THR 61 2HG2 THR 61 2.232 4.180 -6.151 480 3HG2 THR 61 3HG2 THR 61 2.755 3.722 -7.787 481 H ILE 62 H ILE 62 4.527 2.290 -3.562 482 HA ILE 62 HA ILE 62 4.026 4.820 -2.395 483 HB ILE 62 HB ILE 62 5.251 2.226 -1.457 484 1HG1 ILE 62 2HG1 ILE 62 2.583 3.596 -0.895 485 2HG1 ILE 62 3HG1 ILE 62 2.838 2.315 -2.084 486 1HG2 ILE 62 1HG2 ILE 62 6.121 4.144 0.024 487 2HG2 ILE 62 2HG2 ILE 62 4.409 4.382 0.493 488 3HG2 ILE 62 3HG2 ILE 62 5.235 2.855 0.803 489 1HD1 ILE 62 1HD1 ILE 62 3.586 0.796 -0.231 490 2HD1 ILE 62 2HD1 ILE 62 3.097 2.056 0.930 491 3HD1 ILE 62 3HD1 ILE 62 1.892 1.324 -0.138 492 H GLU 63 H GLU 63 7.181 3.153 -2.817 493 HA GLU 63 HA GLU 63 8.920 5.166 -1.894 494 1HB GLU 63 2HB GLU 63 9.220 3.024 -4.028 495 2HB GLU 63 3HB GLU 63 10.559 4.028 -3.463 496 1HG GLU 63 2HG GLU 63 10.405 3.175 -1.222 497 2HG GLU 63 3HG GLU 63 8.892 2.333 -1.556 498 H SER 64 H SER 64 7.786 4.528 -5.219 499 HA SER 64 HA SER 64 9.144 6.644 -6.471 500 1HB SER 64 2HB SER 64 8.159 4.709 -7.643 501 2HB SER 64 3HB SER 64 6.527 5.304 -7.280 502 HG SER 64 HG SER 64 8.484 6.755 -8.750 503 H LEU 65 H LEU 65 5.865 6.590 -5.009 504 HA LEU 65 HA LEU 65 5.119 9.189 -5.922 505 1HB LEU 65 2HB LEU 65 4.191 7.458 -3.619 506 2HB LEU 65 3HB LEU 65 3.456 9.029 -3.966 507 HG LEU 65 HG LEU 65 3.603 6.830 -6.062 508 1HD1 LEU 65 1HD1 LEU 65 2.418 5.954 -4.079 509 2HD1 LEU 65 2HD1 LEU 65 1.389 7.402 -4.039 510 3HD1 LEU 65 3HD1 LEU 65 1.284 6.267 -5.400 511 1HD2 LEU 65 1HD2 LEU 65 1.755 9.231 -5.745 512 2HD2 LEU 65 2HD2 LEU 65 3.107 9.125 -6.899 513 3HD2 LEU 65 3HD2 LEU 65 1.721 8.040 -7.057 514 H GLY 66 H GLY 66 5.568 8.556 -2.401 515 1HA GLY 66 2HA GLY 66 7.684 10.517 -2.216 516 2HA GLY 66 1HA GLY 66 6.136 11.185 -1.672 517 H PHE 67 H PHE 67 6.924 7.700 -1.165 518 HA PHE 67 HA PHE 67 6.698 8.330 1.767 519 1HB PHE 67 2HB PHE 67 5.154 6.361 0.087 520 2HB PHE 67 3HB PHE 67 4.909 6.662 1.813 521 HD1 PHE 67 1HD PHE 67 4.628 9.382 2.238 522 HD2 PHE 67 2HD PHE 67 3.552 7.283 -1.353 523 HE1 PHE 67 1HE PHE 67 3.183 11.278 1.579 524 HE2 PHE 67 2HE PHE 67 2.066 9.166 -2.001 525 HZ PHE 67 HZ PHE 67 1.868 11.164 -0.525 526 H GLU 68 H GLU 68 7.063 6.444 3.143 527 HA GLU 68 HA GLU 68 9.059 4.481 2.058 528 1HB GLU 68 2HB GLU 68 9.858 4.480 4.494 529 2HB GLU 68 3HB GLU 68 10.295 5.904 3.537 530 1HG GLU 68 2HG GLU 68 8.587 7.255 4.560 531 2HG GLU 68 3HG GLU 68 7.854 5.826 5.316 532 H ALA 69 H ALA 69 8.778 2.270 2.988 533 HA ALA 69 HA ALA 69 6.609 1.854 4.817 534 1HB ALA 69 1HB ALA 69 5.332 0.304 3.239 535 2HB ALA 69 2HB ALA 69 5.196 2.021 2.851 536 3HB ALA 69 3HB ALA 69 6.291 0.971 1.909 537 H SER 70 H SER 70 6.211 -0.403 5.343 538 HA SER 70 HA SER 70 8.209 -2.398 4.542 539 1HB SER 70 2HB SER 70 8.761 -2.799 7.011 540 2HB SER 70 3HB SER 70 9.485 -1.367 6.247 541 HG SER 70 HG SER 70 8.590 -0.829 8.266 542 H LEU 71 H LEU 71 7.091 -4.268 4.287 543 HA LEU 71 HA LEU 71 4.408 -4.817 5.155 544 1HB LEU 71 2HB LEU 71 4.868 -7.074 4.510 545 2HB LEU 71 3HB LEU 71 5.472 -5.929 3.320 546 HG LEU 71 HG LEU 71 7.756 -6.301 4.832 547 1HD1 LEU 71 1HD1 LEU 71 6.359 -9.007 4.722 548 2HD1 LEU 71 2HD1 LEU 71 8.004 -8.679 5.294 549 3HD1 LEU 71 3HD1 LEU 71 6.615 -8.084 6.215 550 1HD2 LEU 71 1HD2 LEU 71 8.489 -7.797 3.017 551 2HD2 LEU 71 2HD2 LEU 71 6.806 -7.983 2.479 552 3HD2 LEU 71 3HD2 LEU 71 7.605 -6.398 2.384 553 H VAL 72 H VAL 72 3.585 -5.588 7.020 554 HA VAL 72 HA VAL 72 5.418 -5.842 9.349 555 HB VAL 72 HB VAL 72 2.398 -5.483 9.131 556 1HG1 VAL 72 1HG1 VAL 72 2.904 -6.765 11.153 557 2HG1 VAL 72 2HG1 VAL 72 4.208 -5.633 11.582 558 3HG1 VAL 72 3HG1 VAL 72 2.514 -5.100 11.591 559 1HG2 VAL 72 1HG2 VAL 72 2.866 -3.257 10.067 560 2HG2 VAL 72 2HG2 VAL 72 4.609 -3.597 10.053 561 3HG2 VAL 72 3HG2 VAL 72 3.711 -3.474 8.530 562 H LYS 73 H LYS 73 2.371 -7.455 8.465 563 HA LYS 73 HA LYS 73 1.645 -9.551 8.475 564 1HB LYS 73 2HB LYS 73 4.491 -10.414 7.848 565 2HB LYS 73 3HB LYS 73 2.990 -11.339 7.653 566 1HG LYS 73 2HG LYS 73 2.173 -9.599 6.034 567 2HG LYS 73 3HG LYS 73 3.727 -8.774 6.195 568 1HD LYS 73 2HD LYS 73 3.763 -10.049 4.180 569 2HD LYS 73 3HD LYS 73 4.901 -10.799 5.305 570 1HE LYS 73 2HE LYS 73 2.054 -11.837 5.185 571 2HE LYS 73 3HE LYS 73 3.133 -12.238 3.846 572 1HZ LYS 73 1HZ LYS 73 2.952 -13.721 5.956 573 2HZ LYS 73 2HZ LYS 73 4.066 -12.737 6.569 574 3HZ LYS 73 3HZ LYS 73 4.415 -13.576 5.234 575 H ILE 74 H ILE 74 4.827 -9.862 10.136 576 HA ILE 74 HA ILE 74 5.504 -11.177 11.796 577 HB ILE 74 HB ILE 74 2.848 -10.836 13.212 578 1HG1 ILE 74 2HG1 ILE 74 3.340 -8.602 12.437 579 2HG1 ILE 74 3HG1 ILE 74 3.635 -8.725 14.160 580 1HG2 ILE 74 1HG2 ILE 74 4.378 -10.730 15.201 581 2HG2 ILE 74 2HG2 ILE 74 4.485 -12.265 14.333 582 3HG2 ILE 74 3HG2 ILE 74 5.751 -11.049 14.117 583 1HD1 ILE 74 1HD1 ILE 74 6.075 -8.821 13.784 584 2HD1 ILE 74 2HD1 ILE 74 5.822 -8.764 12.025 585 3HD1 ILE 74 3HD1 ILE 74 5.365 -7.388 13.036 586 H GLU 75 H GLU 75 4.654 -12.416 9.565 587 HA GLU 75 HA GLU 75 4.161 -15.125 10.128 588 1HB GLU 75 2HB GLU 75 1.874 -14.219 10.432 589 2HB GLU 75 3HB GLU 75 1.968 -13.323 8.924 590 1HG GLU 75 2HG GLU 75 2.293 -16.349 8.939 591 2HG GLU 75 3HG GLU 75 0.707 -15.602 9.166 Start of MODEL 20 1 1H MET 1 H1 MET 1 -10.031 -14.633 0.024 2 2H MET 1 H2 MET 1 -9.582 -14.660 1.635 3 3H MET 1 H3 MET 1 -8.570 -14.083 0.460 4 HA MET 1 HA MET 1 -7.791 -16.263 0.844 5 1HB MET 1 2HB MET 1 -10.752 -17.001 0.717 6 2HB MET 1 3HB MET 1 -9.459 -18.191 0.600 7 1HG MET 1 2HG MET 1 -9.973 -16.360 2.975 8 2HG MET 1 3HG MET 1 -10.335 -18.077 2.882 9 1HE MET 1 1HE MET 1 -7.681 -19.337 1.527 10 2HE MET 1 2HE MET 1 -6.795 -19.724 3.013 11 3HE MET 1 3HE MET 1 -8.547 -20.002 2.933 12 H GLY 2 H GLY 2 -7.227 -17.701 -0.990 13 1HA GLY 2 2HA GLY 2 -6.624 -17.820 -3.217 14 2HA GLY 2 1HA GLY 2 -8.257 -17.268 -3.652 15 H ASP 3 H ASP 3 -5.245 -16.038 -2.086 16 HA ASP 3 HA ASP 3 -6.193 -13.277 -2.677 17 1HB ASP 3 2HB ASP 3 -6.608 -14.698 -0.365 18 2HB ASP 3 3HB ASP 3 -5.050 -13.985 0.008 19 H GLY 4 H GLY 4 -4.660 -11.710 -1.608 20 1HA GLY 4 2HA GLY 4 -1.816 -12.331 -1.522 21 2HA GLY 4 1HA GLY 4 -2.246 -11.279 -2.881 22 H VAL 5 H VAL 5 -2.979 -11.750 0.582 23 HA VAL 5 HA VAL 5 -3.573 -8.927 1.002 24 HB VAL 5 HB VAL 5 -4.872 -10.578 2.170 25 1HG1 VAL 5 1HG1 VAL 5 -4.018 -11.980 3.967 26 2HG1 VAL 5 2HG1 VAL 5 -3.253 -12.433 2.442 27 3HG1 VAL 5 3HG1 VAL 5 -2.356 -11.474 3.638 28 1HG2 VAL 5 1HG2 VAL 5 -3.097 -9.148 4.194 29 2HG2 VAL 5 2HG2 VAL 5 -4.330 -8.342 3.210 30 3HG2 VAL 5 3HG2 VAL 5 -4.803 -9.602 4.370 31 H LEU 6 H LEU 6 -2.156 -7.358 1.602 32 HA LEU 6 HA LEU 6 0.366 -8.124 2.950 33 1HB LEU 6 2HB LEU 6 0.066 -7.091 0.240 34 2HB LEU 6 3HB LEU 6 0.800 -5.847 1.227 35 HG LEU 6 HG LEU 6 2.443 -7.204 0.109 36 1HD1 LEU 6 1HD1 LEU 6 3.036 -6.136 2.238 37 2HD1 LEU 6 2HD1 LEU 6 2.580 -7.604 3.126 38 3HD1 LEU 6 3HD1 LEU 6 3.928 -7.650 1.980 39 1HD2 LEU 6 1HD2 LEU 6 1.724 -9.587 1.856 40 2HD2 LEU 6 2HD2 LEU 6 1.124 -9.402 0.198 41 3HD2 LEU 6 3HD2 LEU 6 2.868 -9.511 0.515 42 H GLU 7 H GLU 7 0.924 -6.759 4.543 43 HA GLU 7 HA GLU 7 -0.458 -4.159 4.809 44 1HB GLU 7 2HB GLU 7 -1.046 -6.159 6.547 45 2HB GLU 7 3HB GLU 7 0.483 -5.622 7.265 46 1HG GLU 7 2HG GLU 7 -2.009 -3.964 6.722 47 2HG GLU 7 3HG GLU 7 -1.370 -4.457 8.303 48 H LEU 8 H LEU 8 1.032 -2.539 5.389 49 HA LEU 8 HA LEU 8 3.567 -3.189 6.458 50 1HB LEU 8 2HB LEU 8 4.921 -1.971 4.594 51 2HB LEU 8 3HB LEU 8 4.516 -3.674 4.455 52 HG LEU 8 HG LEU 8 2.586 -3.072 2.926 53 1HD1 LEU 8 1HD1 LEU 8 2.786 -0.960 1.722 54 2HD1 LEU 8 2HD1 LEU 8 2.487 -0.646 3.432 55 3HD1 LEU 8 3HD1 LEU 8 4.124 -0.441 2.778 56 1HD2 LEU 8 1HD2 LEU 8 4.656 -4.090 2.146 57 2HD2 LEU 8 2HD2 LEU 8 4.101 -2.865 0.994 58 3HD2 LEU 8 3HD2 LEU 8 5.450 -2.503 2.096 59 H VAL 9 H VAL 9 4.609 -1.341 7.359 60 HA VAL 9 HA VAL 9 2.748 0.870 7.754 61 HB VAL 9 HB VAL 9 5.126 -0.189 9.145 62 1HG1 VAL 9 1HG1 VAL 9 6.174 1.904 8.453 63 2HG1 VAL 9 2HG1 VAL 9 4.750 2.829 8.994 64 3HG1 VAL 9 3HG1 VAL 9 5.760 1.962 10.169 65 1HG2 VAL 9 1HG2 VAL 9 2.735 -0.143 9.995 66 2HG2 VAL 9 2HG2 VAL 9 3.912 0.612 11.090 67 3HG2 VAL 9 3HG2 VAL 9 2.858 1.628 10.096 68 H VAL 10 H VAL 10 2.991 2.847 6.751 69 HA VAL 10 HA VAL 10 5.105 3.081 4.680 70 HB VAL 10 HB VAL 10 2.195 3.880 4.709 71 1HG1 VAL 10 1HG1 VAL 10 3.534 5.674 3.674 72 2HG1 VAL 10 2HG1 VAL 10 4.427 4.478 2.719 73 3HG1 VAL 10 3HG1 VAL 10 2.703 4.772 2.395 74 1HG2 VAL 10 1HG2 VAL 10 2.464 1.568 4.146 75 2HG2 VAL 10 2HG2 VAL 10 2.131 2.454 2.651 76 3HG2 VAL 10 3HG2 VAL 10 3.792 1.936 3.023 77 H ARG 11 H ARG 11 6.447 4.678 5.111 78 HA ARG 11 HA ARG 11 5.881 6.538 7.335 79 1HB ARG 11 2HB ARG 11 8.439 6.521 5.764 80 2HB ARG 11 3HB ARG 11 8.165 6.902 7.454 81 1HG ARG 11 2HG ARG 11 7.719 4.448 7.904 82 2HG ARG 11 3HG ARG 11 8.152 4.115 6.215 83 1HD ARG 11 2HD ARG 11 10.328 5.449 6.757 84 2HD ARG 11 3HD ARG 11 9.932 5.138 8.439 85 HE ARG 11 HE ARG 11 9.735 2.625 7.353 86 1HH1 ARG 11 2HH2 ARG 11 12.331 4.920 6.509 87 2HH1 ARG 11 1HH2 ARG 11 13.591 3.844 6.966 88 1HH2 ARG 11 2HH1 ARG 11 11.307 1.150 7.429 89 2HH2 ARG 11 1HH1 ARG 11 13.016 1.545 7.310 90 H GLY 12 H GLY 12 5.780 8.775 7.002 91 1HA GLY 12 2HA GLY 12 6.100 10.763 5.850 92 2HA GLY 12 1HA GLY 12 6.259 9.913 4.317 93 H MET 13 H MET 13 3.480 8.634 5.774 94 HA MET 13 HA MET 13 1.695 10.162 4.097 95 1HB MET 13 2HB MET 13 1.315 8.031 6.215 96 2HB MET 13 3HB MET 13 -0.056 8.834 5.421 97 1HG MET 13 2HG MET 13 0.503 8.037 3.290 98 2HG MET 13 3HG MET 13 2.141 7.585 3.769 99 1HE MET 13 1HE MET 13 -1.676 6.626 4.202 100 2HE MET 13 2HE MET 13 -1.510 5.181 5.228 101 3HE MET 13 3HE MET 13 -1.075 6.781 5.881 102 H THR 14 H THR 14 2.479 12.251 4.981 103 HA THR 14 HA THR 14 1.949 12.881 7.706 104 HB THR 14 HB THR 14 3.732 13.935 6.434 105 HG1 THR 14 1HG THR 14 1.770 15.465 7.736 106 1HG2 THR 14 1HG2 THR 14 2.691 14.371 4.274 107 2HG2 THR 14 2HG2 THR 14 1.519 15.489 5.010 108 3HG2 THR 14 3HG2 THR 14 3.247 15.886 4.992 109 H CYS 15 H CYS 15 -0.370 12.933 5.065 110 HA CYS 15 HA CYS 15 -2.351 13.885 6.947 111 1HB CYS 15 2HB CYS 15 -3.067 15.851 5.787 112 2HB CYS 15 3HB CYS 15 -1.349 16.027 6.097 113 H ALA 16 H ALA 16 -4.517 14.063 5.783 114 HA ALA 16 HA ALA 16 -5.284 11.638 4.658 115 1HB ALA 16 1HB ALA 16 -6.585 14.372 4.307 116 2HB ALA 16 2HB ALA 16 -7.365 12.802 4.027 117 3HB ALA 16 3HB ALA 16 -6.844 13.251 5.664 118 H SER 17 H SER 17 -4.107 14.570 3.023 119 HA SER 17 HA SER 17 -4.779 13.859 0.366 120 1HB SER 17 2HB SER 17 -3.895 16.111 1.187 121 2HB SER 17 3HB SER 17 -2.273 15.391 1.106 122 HG SER 17 HG SER 17 -4.127 15.467 -1.048 123 H CYS 18 H CYS 18 -1.945 12.997 2.450 124 HA CYS 18 HA CYS 18 -0.555 11.602 0.333 125 1HB CYS 18 2HB CYS 18 -0.364 11.294 3.360 126 2HB CYS 18 3HB CYS 18 0.726 10.619 2.161 127 H VAL 19 H VAL 19 -2.715 10.653 3.006 128 HA VAL 19 HA VAL 19 -2.701 7.878 2.601 129 HB VAL 19 HB VAL 19 -5.090 9.594 3.416 130 1HG1 VAL 19 1HG1 VAL 19 -5.904 7.564 4.545 131 2HG1 VAL 19 2HG1 VAL 19 -5.798 7.316 2.800 132 3HG1 VAL 19 3HG1 VAL 19 -4.548 6.641 3.872 133 1HG2 VAL 19 1HG2 VAL 19 -3.017 8.191 5.149 134 2HG2 VAL 19 2HG2 VAL 19 -3.132 9.940 4.917 135 3HG2 VAL 19 3HG2 VAL 19 -4.445 9.068 5.717 136 H HIS 20 H HIS 20 -5.212 10.124 1.210 137 HA HIS 20 HA HIS 20 -6.028 7.910 -0.418 138 1HB HIS 20 2HB HIS 20 -7.846 8.984 -1.108 139 2HB HIS 20 3HB HIS 20 -7.552 9.696 0.484 140 HD1 HIS 20 1HD HIS 20 -9.062 10.982 -2.280 141 HD2 HIS 20 2HD HIS 20 -5.416 11.850 -0.441 142 HE1 HIS 20 1HE HIS 20 -8.492 13.387 -2.940 143 H LYS 21 H LYS 21 -3.658 10.471 -1.020 144 HA LYS 21 HA LYS 21 -3.460 10.238 -3.833 145 1HB LYS 21 2HB LYS 21 -2.140 11.848 -2.636 146 2HB LYS 21 3HB LYS 21 -1.348 10.576 -1.690 147 1HG LYS 21 2HG LYS 21 -0.254 9.754 -3.781 148 2HG LYS 21 3HG LYS 21 -0.983 11.114 -4.661 149 1HD LYS 21 2HD LYS 21 0.183 12.717 -3.172 150 2HD LYS 21 3HD LYS 21 0.771 11.376 -2.179 151 1HE LYS 21 2HE LYS 21 1.961 10.495 -4.273 152 2HE LYS 21 3HE LYS 21 1.603 12.040 -5.044 153 1HZ LYS 21 1HZ LYS 21 2.948 13.118 -3.404 154 2HZ LYS 21 2HZ LYS 21 3.095 11.743 -2.507 155 3HZ LYS 21 3HZ LYS 21 3.817 11.824 -3.962 156 H ILE 22 H ILE 22 -2.074 8.142 -1.210 157 HA ILE 22 HA ILE 22 -0.841 6.304 -3.012 158 HB ILE 22 HB ILE 22 -1.941 5.784 -0.233 159 1HG1 ILE 22 2HG1 ILE 22 0.948 6.192 -1.121 160 2HG1 ILE 22 3HG1 ILE 22 -0.064 7.528 -0.562 161 1HG2 ILE 22 1HG2 ILE 22 -0.038 4.138 -1.965 162 2HG2 ILE 22 2HG2 ILE 22 -0.423 3.784 -0.279 163 3HG2 ILE 22 3HG2 ILE 22 -1.682 3.655 -1.495 164 1HD1 ILE 22 1HD1 ILE 22 0.678 5.095 1.098 165 2HD1 ILE 22 2HD1 ILE 22 1.259 6.754 1.283 166 3HD1 ILE 22 3HD1 ILE 22 -0.451 6.380 1.584 167 H GLU 23 H GLU 23 -4.076 6.056 -1.402 168 HA GLU 23 HA GLU 23 -4.646 3.620 -2.693 169 1HB GLU 23 2HB GLU 23 -6.631 3.601 -1.607 170 2HB GLU 23 3HB GLU 23 -5.743 4.791 -0.652 171 1HG GLU 23 2HG GLU 23 -7.935 5.507 -0.832 172 2HG GLU 23 3HG GLU 23 -6.954 6.606 -1.828 173 H SER 24 H SER 24 -5.633 6.889 -3.628 174 HA SER 24 HA SER 24 -7.060 6.314 -5.956 175 1HB SER 24 2HB SER 24 -6.967 8.485 -4.820 176 2HB SER 24 3HB SER 24 -5.281 8.709 -5.353 177 HG SER 24 HG SER 24 -6.885 9.748 -6.694 178 H SER 25 H SER 25 -3.523 6.328 -5.435 179 HA SER 25 HA SER 25 -2.923 6.168 -8.307 180 1HB SER 25 2HB SER 25 -1.163 5.562 -5.901 181 2HB SER 25 3HB SER 25 -0.654 5.698 -7.594 182 HG SER 25 HG SER 25 -1.822 7.729 -5.978 183 H LEU 26 H LEU 26 -2.750 3.942 -5.485 184 HA LEU 26 HA LEU 26 -1.977 1.698 -6.951 185 1HB LEU 26 2HB LEU 26 -3.135 2.218 -4.238 186 2HB LEU 26 3HB LEU 26 -3.356 0.596 -4.839 187 HG LEU 26 HG LEU 26 -1.374 0.757 -3.499 188 1HD1 LEU 26 1HD1 LEU 26 -0.486 0.260 -6.367 189 2HD1 LEU 26 2HD1 LEU 26 0.226 -0.357 -4.880 190 3HD1 LEU 26 3HD1 LEU 26 -1.397 -0.885 -5.358 191 1HD2 LEU 26 1HD2 LEU 26 0.609 2.052 -4.177 192 2HD2 LEU 26 2HD2 LEU 26 -0.284 2.710 -5.566 193 3HD2 LEU 26 3HD2 LEU 26 -0.790 3.113 -3.919 194 H THR 27 H THR 27 -5.303 2.758 -6.189 195 HA THR 27 HA THR 27 -6.595 0.456 -7.078 196 HB THR 27 HB THR 27 -8.560 2.040 -7.486 197 HG1 THR 27 1HG THR 27 -6.964 3.930 -6.155 198 1HG2 THR 27 1HG2 THR 27 -8.285 0.835 -5.382 199 2HG2 THR 27 2HG2 THR 27 -7.172 2.076 -4.774 200 3HG2 THR 27 3HG2 THR 27 -8.866 2.480 -5.101 201 H LYS 28 H LYS 28 -4.873 2.801 -9.003 202 HA LYS 28 HA LYS 28 -6.266 2.393 -11.504 203 1HB LYS 28 2HB LYS 28 -3.424 3.313 -11.069 204 2HB LYS 28 3HB LYS 28 -4.387 3.515 -12.522 205 1HG LYS 28 2HG LYS 28 -5.046 4.744 -9.815 206 2HG LYS 28 3HG LYS 28 -4.145 5.573 -11.060 207 1HD LYS 28 2HD LYS 28 -7.030 4.586 -11.314 208 2HD LYS 28 3HD LYS 28 -6.528 6.212 -10.841 209 1HE LYS 28 2HE LYS 28 -5.270 6.422 -13.035 210 2HE LYS 28 3HE LYS 28 -5.979 4.880 -13.542 211 1HZ LYS 28 1HZ LYS 28 -8.153 5.891 -13.312 212 2HZ LYS 28 2HZ LYS 28 -7.480 7.317 -12.837 213 3HZ LYS 28 3HZ LYS 28 -7.219 6.752 -14.358 214 H HIS 29 H HIS 29 -3.795 0.556 -9.703 215 HA HIS 29 HA HIS 29 -2.430 -0.430 -11.999 216 1HB HIS 29 2HB HIS 29 -2.470 -1.321 -9.097 217 2HB HIS 29 3HB HIS 29 -1.437 -2.043 -10.326 218 HD1 HIS 29 1HD HIS 29 0.938 -1.155 -9.939 219 HD2 HIS 29 2HD HIS 29 -2.055 1.780 -9.610 220 HE1 HIS 29 1HE HIS 29 2.123 1.074 -9.607 221 H ARG 30 H ARG 30 -5.427 -1.461 -10.780 222 HA ARG 30 HA ARG 30 -6.879 -3.036 -11.408 223 1HB ARG 30 2HB ARG 30 -4.947 -3.858 -13.600 224 2HB ARG 30 3HB ARG 30 -6.635 -4.326 -13.487 225 1HG ARG 30 2HG ARG 30 -5.761 -1.425 -13.746 226 2HG ARG 30 3HG ARG 30 -5.989 -2.474 -15.120 227 1HD ARG 30 2HD ARG 30 -7.990 -1.056 -14.720 228 2HD ARG 30 3HD ARG 30 -8.299 -2.787 -14.756 229 HE ARG 30 HE ARG 30 -9.140 -2.702 -12.669 230 1HH1 ARG 30 2HH2 ARG 30 -6.873 0.067 -12.918 231 2HH1 ARG 30 1HH2 ARG 30 -7.349 0.648 -11.338 232 1HH2 ARG 30 2HH1 ARG 30 -9.506 -1.871 -10.476 233 2HH2 ARG 30 1HH1 ARG 30 -8.604 -0.444 -9.997 234 H GLY 31 H GLY 31 -3.617 -4.457 -11.227 235 1HA GLY 31 2HA GLY 31 -4.651 -6.952 -10.101 236 2HA GLY 31 1HA GLY 31 -2.979 -6.343 -10.071 237 H ILE 32 H ILE 32 -6.123 -5.225 -8.725 238 HA ILE 32 HA ILE 32 -5.038 -5.294 -6.027 239 HB ILE 32 HB ILE 32 -5.737 -3.067 -5.476 240 1HG1 ILE 32 2HG1 ILE 32 -5.809 -1.520 -7.730 241 2HG1 ILE 32 3HG1 ILE 32 -6.651 -2.931 -8.337 242 1HG2 ILE 32 1HG2 ILE 32 -3.870 -1.850 -6.376 243 2HG2 ILE 32 2HG2 ILE 32 -3.386 -3.523 -6.074 244 3HG2 ILE 32 3HG2 ILE 32 -3.717 -2.979 -7.734 245 1HD1 ILE 32 1HD1 ILE 32 -8.258 -2.762 -6.390 246 2HD1 ILE 32 2HD1 ILE 32 -7.364 -1.355 -5.817 247 3HD1 ILE 32 3HD1 ILE 32 -8.226 -1.295 -7.372 248 H LEU 33 H LEU 33 -6.571 -6.070 -4.746 249 HA LEU 33 HA LEU 33 -9.394 -6.275 -5.648 250 1HB LEU 33 2HB LEU 33 -7.982 -7.291 -3.161 251 2HB LEU 33 3HB LEU 33 -9.653 -7.628 -3.599 252 HG LEU 33 HG LEU 33 -7.247 -8.475 -5.295 253 1HD1 LEU 33 1HD1 LEU 33 -8.821 -10.081 -3.244 254 2HD1 LEU 33 2HD1 LEU 33 -7.579 -10.716 -4.346 255 3HD1 LEU 33 3HD1 LEU 33 -7.127 -9.550 -3.095 256 1HD2 LEU 33 1HD2 LEU 33 -9.323 -8.377 -6.589 257 2HD2 LEU 33 2HD2 LEU 33 -8.920 -10.066 -6.263 258 3HD2 LEU 33 3HD2 LEU 33 -10.198 -9.272 -5.322 259 H TYR 34 H TYR 34 -7.259 -4.812 -3.102 260 HA TYR 34 HA TYR 34 -9.142 -2.631 -2.786 261 1HB TYR 34 2HB TYR 34 -10.042 -4.605 -1.343 262 2HB TYR 34 3HB TYR 34 -8.631 -4.337 -0.320 263 HD1 TYR 34 HD1 TYR 34 -11.779 -2.855 -1.634 264 HD2 TYR 34 HD2 TYR 34 -8.494 -2.367 1.110 265 HE1 TYR 34 HE1 TYR 34 -12.830 -0.797 -0.737 266 HE2 TYR 34 HE2 TYR 34 -9.454 -0.232 1.870 267 HH TYR 34 HH TYR 34 -11.123 1.349 1.535 268 H CYS 35 H CYS 35 -8.257 -0.872 -1.544 269 HA CYS 35 HA CYS 35 -5.488 -1.194 -0.488 270 1HB CYS 35 2HB CYS 35 -5.398 -0.018 -2.709 271 2HB CYS 35 3HB CYS 35 -6.497 1.215 -2.044 272 HG CYS 35 HG CYS 35 -3.490 0.305 -1.210 273 H SER 36 H SER 36 -5.720 -0.927 1.663 274 HA SER 36 HA SER 36 -7.627 1.086 2.794 275 1HB SER 36 2HB SER 36 -8.352 -1.228 3.379 276 2HB SER 36 3HB SER 36 -6.740 -1.585 3.901 277 HG SER 36 HG SER 36 -8.593 0.242 5.033 278 H VAL 37 H VAL 37 -5.999 2.653 2.590 279 HA VAL 37 HA VAL 37 -3.567 2.371 4.254 280 HB VAL 37 HB VAL 37 -3.224 4.769 3.293 281 1HG1 VAL 37 1HG1 VAL 37 -2.206 3.845 1.244 282 2HG1 VAL 37 2HG1 VAL 37 -1.780 2.970 2.718 283 3HG1 VAL 37 3HG1 VAL 37 -2.973 2.276 1.588 284 1HG2 VAL 37 1HG2 VAL 37 -5.557 4.926 2.300 285 2HG2 VAL 37 2HG2 VAL 37 -4.230 5.202 1.155 286 3HG2 VAL 37 3HG2 VAL 37 -5.074 3.657 1.146 287 H ALA 38 H ALA 38 -3.098 3.812 5.959 288 HA ALA 38 HA ALA 38 -5.073 5.859 6.648 289 1HB ALA 38 1HB ALA 38 -6.071 3.897 7.810 290 2HB ALA 38 2HB ALA 38 -4.506 3.611 8.622 291 3HB ALA 38 3HB ALA 38 -5.416 5.088 8.959 292 H LEU 39 H LEU 39 -4.017 7.571 7.541 293 HA LEU 39 HA LEU 39 -1.207 7.411 8.245 294 1HB LEU 39 2HB LEU 39 -1.324 9.713 8.783 295 2HB LEU 39 3HB LEU 39 -2.172 9.414 7.278 296 HG LEU 39 HG LEU 39 -4.336 9.373 8.867 297 1HD1 LEU 39 1HD1 LEU 39 -3.052 9.680 11.038 298 2HD1 LEU 39 2HD1 LEU 39 -2.388 11.183 10.391 299 3HD1 LEU 39 3HD1 LEU 39 -4.127 11.032 10.694 300 1HD2 LEU 39 1HD2 LEU 39 -4.566 11.812 8.453 301 2HD2 LEU 39 2HD2 LEU 39 -2.835 11.895 8.063 302 3HD2 LEU 39 3HD2 LEU 39 -3.942 10.970 7.029 303 H ALA 40 H ALA 40 -4.282 7.146 9.963 304 HA ALA 40 HA ALA 40 -3.546 7.713 12.573 305 1HB ALA 40 1HB ALA 40 -5.373 6.200 13.248 306 2HB ALA 40 2HB ALA 40 -5.848 7.207 11.867 307 3HB ALA 40 3HB ALA 40 -5.417 5.500 11.617 308 H THR 41 H THR 41 -3.296 4.513 10.944 309 HA THR 41 HA THR 41 -1.405 3.534 13.002 310 HB THR 41 HB THR 41 -2.033 1.373 11.628 311 HG1 THR 41 1HG THR 41 -4.168 1.635 10.783 312 1HG2 THR 41 1HG2 THR 41 -4.033 2.806 13.431 313 2HG2 THR 41 2HG2 THR 41 -4.020 1.066 13.062 314 3HG2 THR 41 3HG2 THR 41 -2.681 1.786 13.972 315 H ASN 42 H ASN 42 -0.969 5.400 10.458 316 HA ASN 42 HA ASN 42 0.307 5.522 8.559 317 1HB ASN 42 2HB ASN 42 2.308 4.400 10.572 318 2HB ASN 42 3HB ASN 42 2.725 5.290 9.095 319 1HD2 ASN 42 1HD2 ASN 42 1.357 7.451 8.856 320 2HD2 ASN 42 2HD2 ASN 42 1.005 8.281 10.357 321 H LYS 43 H LYS 43 -1.182 3.437 7.984 322 HA LYS 43 HA LYS 43 0.666 1.183 7.265 323 1HB LYS 43 2HB LYS 43 -0.935 -0.408 8.038 324 2HB LYS 43 3HB LYS 43 -0.544 0.694 9.319 325 1HG LYS 43 2HG LYS 43 -2.802 0.403 9.513 326 2HG LYS 43 3HG LYS 43 -2.712 1.965 8.660 327 1HD LYS 43 2HD LYS 43 -3.360 0.893 6.571 328 2HD LYS 43 3HD LYS 43 -3.131 -0.724 7.279 329 1HE LYS 43 2HE LYS 43 -5.032 -0.169 8.879 330 2HE LYS 43 3HE LYS 43 -5.224 1.373 8.033 331 1HZ LYS 43 1HZ LYS 43 -6.769 -0.174 7.063 332 2HZ LYS 43 2HZ LYS 43 -5.585 0.023 5.980 333 3HZ LYS 43 3HZ LYS 43 -5.612 -1.326 6.898 334 H ALA 44 H ALA 44 -0.443 -0.431 5.815 335 HA ALA 44 HA ALA 44 -2.316 0.692 3.873 336 1HB ALA 44 1HB ALA 44 0.401 -0.129 2.856 337 2HB ALA 44 2HB ALA 44 -0.969 0.577 1.979 338 3HB ALA 44 3HB ALA 44 -0.058 1.567 3.142 339 H HIS 45 H HIS 45 -3.600 -0.935 4.570 340 HA HIS 45 HA HIS 45 -2.810 -3.780 4.122 341 1HB HIS 45 2HB HIS 45 -4.087 -3.096 6.114 342 2HB HIS 45 3HB HIS 45 -5.418 -2.628 5.080 343 HD1 HIS 45 1HD HIS 45 -5.037 -5.225 7.256 344 HD2 HIS 45 2HD HIS 45 -5.360 -5.120 3.070 345 HE1 HIS 45 1HE HIS 45 -5.984 -7.487 6.552 346 H ILE 46 H ILE 46 -2.330 -3.998 2.086 347 HA ILE 46 HA ILE 46 -4.347 -3.209 0.035 348 HB ILE 46 HB ILE 46 -1.426 -4.003 -0.201 349 1HG1 ILE 46 2HG1 ILE 46 -1.278 -1.996 -1.600 350 2HG1 ILE 46 3HG1 ILE 46 -3.015 -1.693 -1.425 351 1HG2 ILE 46 1HG2 ILE 46 -3.547 -3.885 -2.400 352 2HG2 ILE 46 2HG2 ILE 46 -1.805 -3.960 -2.685 353 3HG2 ILE 46 3HG2 ILE 46 -2.618 -5.314 -1.906 354 1HD1 ILE 46 1HD1 ILE 46 -2.696 -1.128 0.925 355 2HD1 ILE 46 2HD1 ILE 46 -0.990 -1.661 0.837 356 3HD1 ILE 46 3HD1 ILE 46 -1.535 -0.232 -0.068 357 H LYS 47 H LYS 47 -5.389 -4.762 -1.042 358 HA LYS 47 HA LYS 47 -4.818 -7.655 -0.501 359 1HB LYS 47 2HB LYS 47 -7.384 -6.144 -1.061 360 2HB LYS 47 3HB LYS 47 -7.263 -7.911 -1.104 361 1HG LYS 47 2HG LYS 47 -6.695 -6.173 1.328 362 2HG LYS 47 3HG LYS 47 -8.298 -6.792 0.978 363 1HD LYS 47 2HD LYS 47 -5.907 -8.652 1.292 364 2HD LYS 47 3HD LYS 47 -6.818 -8.041 2.664 365 1HE LYS 47 2HE LYS 47 -7.670 -10.177 2.217 366 2HE LYS 47 3HE LYS 47 -8.926 -9.014 1.767 367 1HZ LYS 47 1HZ LYS 47 -7.037 -10.224 -0.163 368 2HZ LYS 47 2HZ LYS 47 -8.357 -10.979 0.227 369 3HZ LYS 47 3HZ LYS 47 -8.481 -9.488 -0.519 370 H TYR 48 H TYR 48 -3.739 -8.332 -2.373 371 HA TYR 48 HA TYR 48 -4.515 -7.078 -4.970 372 1HB TYR 48 2HB TYR 48 -2.259 -7.119 -5.673 373 2HB TYR 48 3HB TYR 48 -2.389 -6.164 -4.209 374 HD1 TYR 48 HD1 TYR 48 -1.298 -9.458 -5.610 375 HD2 TYR 48 HD2 TYR 48 -0.908 -6.651 -2.371 376 HE1 TYR 48 HE1 TYR 48 0.585 -10.776 -4.683 377 HE2 TYR 48 HE2 TYR 48 1.112 -7.831 -1.620 378 HH TYR 48 HH TYR 48 2.242 -9.844 -1.668 379 H ASP 49 H ASP 49 -4.372 -8.339 -6.812 380 HA ASP 49 HA ASP 49 -4.789 -11.159 -6.516 381 1HB ASP 49 2HB ASP 49 -4.384 -9.611 -9.089 382 2HB ASP 49 3HB ASP 49 -5.354 -11.061 -8.816 383 HA PRO 50 HA PRO 50 -0.291 -11.473 -6.748 384 1HB PRO 50 2HB PRO 50 0.130 -14.051 -5.992 385 2HB PRO 50 3HB PRO 50 -0.628 -12.865 -4.898 386 1HG PRO 50 2HG PRO 50 -2.071 -14.822 -6.712 387 2HG PRO 50 3HG PRO 50 -2.250 -14.646 -4.941 388 1HD PRO 50 2HD PRO 50 -3.927 -13.365 -6.658 389 2HD PRO 50 3HD PRO 50 -3.340 -12.540 -5.182 390 H GLU 51 H GLU 51 -1.631 -11.588 -9.334 391 HA GLU 51 HA GLU 51 0.304 -13.285 -10.837 392 1HB GLU 51 2HB GLU 51 -2.705 -13.289 -11.359 393 2HB GLU 51 3HB GLU 51 -1.461 -14.132 -12.292 394 1HG GLU 51 2HG GLU 51 -0.881 -15.459 -10.229 395 2HG GLU 51 3HG GLU 51 -2.271 -14.718 -9.412 396 H ILE 52 H ILE 52 0.223 -10.471 -10.265 397 HA ILE 52 HA ILE 52 0.349 -9.236 -12.838 398 HB ILE 52 HB ILE 52 -1.991 -9.263 -12.898 399 1HG1 ILE 52 2HG1 ILE 52 -2.793 -6.985 -12.671 400 2HG1 ILE 52 3HG1 ILE 52 -1.380 -6.553 -11.706 401 1HG2 ILE 52 1HG2 ILE 52 -2.224 -8.439 -10.015 402 2HG2 ILE 52 2HG2 ILE 52 -3.547 -8.650 -11.181 403 3HG2 ILE 52 3HG2 ILE 52 -2.590 -10.036 -10.705 404 1HD1 ILE 52 1HD1 ILE 52 0.091 -7.046 -13.623 405 2HD1 ILE 52 2HD1 ILE 52 -1.325 -7.538 -14.579 406 3HD1 ILE 52 3HD1 ILE 52 -1.155 -5.846 -14.040 407 H ILE 53 H ILE 53 -0.265 -8.778 -9.322 408 HA ILE 53 HA ILE 53 1.813 -6.683 -9.197 409 HB ILE 53 HB ILE 53 -1.024 -6.865 -8.166 410 1HG1 ILE 53 2HG1 ILE 53 -0.450 -5.374 -10.100 411 2HG1 ILE 53 3HG1 ILE 53 -1.207 -4.561 -8.724 412 1HG2 ILE 53 1HG2 ILE 53 1.183 -5.465 -6.672 413 2HG2 ILE 53 2HG2 ILE 53 -0.569 -5.160 -6.468 414 3HG2 ILE 53 3HG2 ILE 53 0.099 -6.758 -6.109 415 1HD1 ILE 53 1HD1 ILE 53 0.584 -3.232 -9.713 416 2HD1 ILE 53 2HD1 ILE 53 0.920 -3.625 -8.022 417 3HD1 ILE 53 3HD1 ILE 53 1.764 -4.489 -9.337 418 H GLY 54 H GLY 54 3.314 -7.187 -7.811 419 1HA GLY 54 2HA GLY 54 2.905 -9.294 -5.709 420 2HA GLY 54 1HA GLY 54 4.450 -8.933 -6.512 421 HA PRO 55 HA PRO 55 3.740 -6.307 -2.626 422 1HB PRO 55 2HB PRO 55 5.984 -7.027 -1.212 423 2HB PRO 55 3HB PRO 55 4.448 -7.933 -1.156 424 1HG PRO 55 2HG PRO 55 6.894 -8.561 -2.814 425 2HG PRO 55 3HG PRO 55 5.914 -9.680 -1.830 426 1HD PRO 55 2HD PRO 55 5.577 -9.430 -4.530 427 2HD PRO 55 3HD PRO 55 4.195 -9.745 -3.455 428 H ARG 56 H ARG 56 6.727 -7.070 -4.436 429 HA ARG 56 HA ARG 56 8.159 -4.738 -3.920 430 1HB ARG 56 2HB ARG 56 9.534 -5.292 -5.787 431 2HB ARG 56 3HB ARG 56 9.061 -6.758 -4.943 432 1HG ARG 56 2HG ARG 56 8.666 -7.530 -7.033 433 2HG ARG 56 3HG ARG 56 7.102 -6.747 -6.821 434 1HD ARG 56 2HD ARG 56 8.416 -4.623 -7.793 435 2HD ARG 56 3HD ARG 56 9.523 -5.832 -8.433 436 HE ARG 56 HE ARG 56 6.866 -5.090 -9.350 437 1HH1 ARG 56 2HH2 ARG 56 8.919 -7.943 -9.209 438 2HH1 ARG 56 1HH2 ARG 56 7.982 -8.827 -10.386 439 1HH2 ARG 56 2HH1 ARG 56 5.635 -6.148 -10.651 440 2HH2 ARG 56 1HH1 ARG 56 5.984 -7.742 -11.306 441 H ASP 57 H ASP 57 5.603 -5.255 -6.407 442 HA ASP 57 HA ASP 57 5.971 -2.806 -7.801 443 1HB ASP 57 2HB ASP 57 3.366 -4.327 -7.297 444 2HB ASP 57 3HB ASP 57 3.672 -3.125 -8.562 445 H ILE 58 H ILE 58 3.784 -3.716 -5.146 446 HA ILE 58 HA ILE 58 2.588 -1.177 -4.746 447 HB ILE 58 HB ILE 58 2.989 -3.613 -3.008 448 1HG1 ILE 58 2HG1 ILE 58 0.339 -2.579 -3.985 449 2HG1 ILE 58 3HG1 ILE 58 1.407 -3.377 -5.148 450 1HG2 ILE 58 1HG2 ILE 58 1.219 -2.634 -1.485 451 2HG2 ILE 58 2HG2 ILE 58 2.781 -1.827 -1.391 452 3HG2 ILE 58 3HG2 ILE 58 1.450 -1.076 -2.306 453 1HD1 ILE 58 1HD1 ILE 58 -0.116 -4.976 -4.097 454 2HD1 ILE 58 2HD1 ILE 58 1.586 -5.347 -3.753 455 3HD1 ILE 58 3HD1 ILE 58 0.573 -4.601 -2.498 456 H ILE 59 H ILE 59 5.438 -2.673 -3.064 457 HA ILE 59 HA ILE 59 6.058 -0.502 -1.392 458 HB ILE 59 HB ILE 59 7.712 -2.664 -2.725 459 1HG1 ILE 59 2HG1 ILE 59 7.039 -2.284 0.218 460 2HG1 ILE 59 3HG1 ILE 59 5.903 -3.080 -0.875 461 1HG2 ILE 59 1HG2 ILE 59 9.283 -0.866 -2.340 462 2HG2 ILE 59 2HG2 ILE 59 8.627 -0.571 -0.720 463 3HG2 ILE 59 3HG2 ILE 59 9.519 -2.065 -1.074 464 1HD1 ILE 59 1HD1 ILE 59 8.733 -4.037 -0.316 465 2HD1 ILE 59 2HD1 ILE 59 7.213 -4.764 0.235 466 3HD1 ILE 59 3HD1 ILE 59 7.603 -4.743 -1.495 467 H HIS 60 H HIS 60 7.402 -1.204 -4.677 468 HA HIS 60 HA HIS 60 8.924 1.121 -4.991 469 1HB HIS 60 2HB HIS 60 7.357 -0.390 -7.105 470 2HB HIS 60 3HB HIS 60 8.619 0.802 -7.413 471 HD1 HIS 60 1HD HIS 60 9.217 -1.811 -8.686 472 HD2 HIS 60 2HD HIS 60 10.133 -1.019 -4.655 473 HE1 HIS 60 1HE HIS 60 11.023 -3.483 -7.997 474 H THR 61 H THR 61 5.431 0.602 -5.612 475 HA THR 61 HA THR 61 5.044 3.153 -6.883 476 HB THR 61 HB THR 61 3.008 1.353 -5.498 477 HG1 THR 61 1HG THR 61 4.171 0.327 -7.175 478 1HG2 THR 61 1HG2 THR 61 2.085 3.575 -5.933 479 2HG2 THR 61 2HG2 THR 61 2.716 3.552 -7.598 480 3HG2 THR 61 3HG2 THR 61 1.437 2.424 -7.114 481 H ILE 62 H ILE 62 4.534 1.978 -3.529 482 HA ILE 62 HA ILE 62 3.514 4.373 -2.384 483 HB ILE 62 HB ILE 62 4.969 1.916 -1.397 484 1HG1 ILE 62 2HG1 ILE 62 2.364 3.139 -0.457 485 2HG1 ILE 62 3HG1 ILE 62 2.436 2.187 -1.960 486 1HG2 ILE 62 1HG2 ILE 62 4.704 2.730 0.963 487 2HG2 ILE 62 2HG2 ILE 62 5.910 3.651 0.094 488 3HG2 ILE 62 3HG2 ILE 62 4.283 4.332 0.333 489 1HD1 ILE 62 1HD1 ILE 62 3.391 0.273 -0.674 490 2HD1 ILE 62 2HD1 ILE 62 3.125 1.184 0.823 491 3HD1 ILE 62 3HD1 ILE 62 1.742 0.719 -0.179 492 H GLU 63 H GLU 63 6.910 3.109 -2.456 493 HA GLU 63 HA GLU 63 7.767 5.397 -1.102 494 1HB GLU 63 2HB GLU 63 10.030 4.624 -1.438 495 2HB GLU 63 3HB GLU 63 8.929 3.327 -0.985 496 1HG GLU 63 2HG GLU 63 8.800 2.808 -3.520 497 2HG GLU 63 3HG GLU 63 10.217 3.844 -3.690 498 H SER 64 H SER 64 7.901 4.630 -4.576 499 HA SER 64 HA SER 64 9.084 6.996 -5.503 500 1HB SER 64 2HB SER 64 8.584 4.956 -6.865 501 2HB SER 64 3HB SER 64 6.871 5.419 -6.877 502 HG SER 64 HG SER 64 7.748 7.504 -7.776 503 H LEU 65 H LEU 65 5.604 6.417 -4.635 504 HA LEU 65 HA LEU 65 4.674 8.839 -5.741 505 1HB LEU 65 2HB LEU 65 3.679 7.004 -3.565 506 2HB LEU 65 3HB LEU 65 2.827 8.501 -3.882 507 HG LEU 65 HG LEU 65 3.428 6.537 -6.120 508 1HD1 LEU 65 1HD1 LEU 65 2.161 5.401 -4.311 509 2HD1 LEU 65 2HD1 LEU 65 0.965 6.715 -4.338 510 3HD1 LEU 65 3HD1 LEU 65 1.162 5.660 -5.755 511 1HD2 LEU 65 1HD2 LEU 65 1.527 7.629 -7.212 512 2HD2 LEU 65 2HD2 LEU 65 1.294 8.697 -5.817 513 3HD2 LEU 65 3HD2 LEU 65 2.753 8.838 -6.821 514 H GLY 66 H GLY 66 5.487 8.279 -2.234 515 1HA GLY 66 2HA GLY 66 6.696 10.908 -2.170 516 2HA GLY 66 1HA GLY 66 5.122 10.927 -1.358 517 H PHE 67 H PHE 67 7.211 7.995 -1.138 518 HA PHE 67 HA PHE 67 6.935 8.469 1.811 519 1HB PHE 67 2HB PHE 67 5.608 6.258 0.231 520 2HB PHE 67 3HB PHE 67 5.443 6.553 1.953 521 HD1 PHE 67 1HD PHE 67 3.594 6.831 -0.945 522 HD2 PHE 67 2HD PHE 67 4.841 9.240 2.401 523 HE1 PHE 67 1HE PHE 67 1.902 8.534 -1.534 524 HE2 PHE 67 2HE PHE 67 3.153 10.939 1.814 525 HZ PHE 67 HZ PHE 67 1.651 10.578 -0.132 526 H GLU 68 H GLU 68 7.313 6.188 2.904 527 HA GLU 68 HA GLU 68 9.449 4.650 1.528 528 1HB GLU 68 2HB GLU 68 9.486 5.085 4.516 529 2HB GLU 68 3HB GLU 68 10.738 4.370 3.521 530 1HG GLU 68 2HG GLU 68 11.422 6.534 2.690 531 2HG GLU 68 3HG GLU 68 9.996 7.334 3.371 532 H ALA 69 H ALA 69 9.220 2.345 2.162 533 HA ALA 69 HA ALA 69 6.659 1.719 3.588 534 1HB ALA 69 1HB ALA 69 6.600 -0.332 2.245 535 2HB ALA 69 2HB ALA 69 6.652 1.089 1.180 536 3HB ALA 69 3HB ALA 69 8.120 0.124 1.449 537 H SER 70 H SER 70 6.682 -0.014 5.069 538 HA SER 70 HA SER 70 9.183 -1.478 5.652 539 1HB SER 70 2HB SER 70 7.771 0.361 7.628 540 2HB SER 70 3HB SER 70 9.005 -0.831 8.066 541 HG SER 70 HG SER 70 9.771 0.759 5.979 542 H LEU 71 H LEU 71 8.273 -3.478 5.332 543 HA LEU 71 HA LEU 71 5.692 -4.428 6.132 544 1HB LEU 71 2HB LEU 71 8.429 -5.765 6.013 545 2HB LEU 71 3HB LEU 71 6.916 -6.651 6.203 546 HG LEU 71 HG LEU 71 7.275 -4.809 3.813 547 1HD1 LEU 71 1HD1 LEU 71 8.298 -7.670 4.028 548 2HD1 LEU 71 2HD1 LEU 71 8.190 -6.710 2.536 549 3HD1 LEU 71 3HD1 LEU 71 9.291 -6.209 3.830 550 1HD2 LEU 71 1HD2 LEU 71 5.738 -6.363 2.767 551 2HD2 LEU 71 2HD2 LEU 71 5.804 -7.461 4.160 552 3HD2 LEU 71 3HD2 LEU 71 5.038 -5.874 4.320 553 H VAL 72 H VAL 72 4.861 -5.057 8.079 554 HA VAL 72 HA VAL 72 6.631 -5.313 10.422 555 HB VAL 72 HB VAL 72 4.913 -4.070 11.773 556 1HG1 VAL 72 1HG1 VAL 72 5.820 -1.855 11.316 557 2HG1 VAL 72 2HG1 VAL 72 7.098 -3.077 11.198 558 3HG1 VAL 72 3HG1 VAL 72 6.397 -2.381 9.724 559 1HG2 VAL 72 1HG2 VAL 72 3.040 -4.029 10.123 560 2HG2 VAL 72 2HG2 VAL 72 3.473 -2.417 10.698 561 3HG2 VAL 72 3HG2 VAL 72 3.990 -2.941 9.089 562 H LYS 73 H LYS 73 5.943 -6.892 11.817 563 HA LYS 73 HA LYS 73 3.395 -7.939 12.128 564 1HB LYS 73 2HB LYS 73 3.722 -10.212 11.113 565 2HB LYS 73 3HB LYS 73 3.520 -8.951 9.910 566 1HG LYS 73 2HG LYS 73 5.933 -8.854 9.529 567 2HG LYS 73 3HG LYS 73 6.243 -10.081 10.757 568 1HD LYS 73 2HD LYS 73 4.357 -10.686 8.436 569 2HD LYS 73 3HD LYS 73 6.092 -10.633 8.172 570 1HE LYS 73 2HE LYS 73 5.562 -12.899 8.531 571 2HE LYS 73 3HE LYS 73 6.483 -12.360 9.927 572 1HZ LYS 73 1HZ LYS 73 3.535 -12.604 9.897 573 2HZ LYS 73 2HZ LYS 73 4.592 -13.792 10.295 574 3HZ LYS 73 3HZ LYS 73 4.500 -12.455 11.244 575 H ILE 74 H ILE 74 3.757 -10.202 13.264 576 HA ILE 74 HA ILE 74 6.445 -10.629 14.296 577 HB ILE 74 HB ILE 74 5.788 -11.103 16.514 578 1HG1 ILE 74 2HG1 ILE 74 3.591 -12.030 16.360 579 2HG1 ILE 74 3HG1 ILE 74 3.603 -10.695 17.499 580 1HG2 ILE 74 1HG2 ILE 74 5.259 -8.921 17.411 581 2HG2 ILE 74 2HG2 ILE 74 6.385 -8.792 16.051 582 3HG2 ILE 74 3HG2 ILE 74 4.681 -8.359 15.832 583 1HD1 ILE 74 1HD1 ILE 74 1.571 -10.581 16.258 584 2HD1 ILE 74 2HD1 ILE 74 2.568 -9.230 15.700 585 3HD1 ILE 74 3HD1 ILE 74 2.399 -10.701 14.707 586 H GLU 75 H GLU 75 6.054 -13.008 15.536 587 HA GLU 75 HA GLU 75 3.996 -14.628 14.554 588 1HB GLU 75 2HB GLU 75 6.875 -15.413 13.803 589 2HB GLU 75 3HB GLU 75 5.429 -16.429 13.674 590 1HG GLU 75 2HG GLU 75 4.421 -14.635 12.216 591 2HG GLU 75 3HG GLU 75 6.061 -13.889 12.142 Start of MODEL 21 1 1H MET 1 H1 MET 1 -7.962 -14.816 -1.192 2 2H MET 1 H2 MET 1 -7.559 -15.716 0.132 3 3H MET 1 H3 MET 1 -6.564 -15.614 -1.198 4 HA MET 1 HA MET 1 -7.894 -17.724 -1.049 5 1HB MET 1 2HB MET 1 -9.917 -16.807 -0.101 6 2HB MET 1 3HB MET 1 -10.123 -15.679 -1.447 7 1HG MET 1 2HG MET 1 -11.674 -17.570 -1.586 8 2HG MET 1 3HG MET 1 -10.605 -17.509 -2.984 9 1HE MET 1 1HE MET 1 -11.230 -19.895 -3.763 10 2HE MET 1 2HE MET 1 -11.264 -21.311 -2.687 11 3HE MET 1 3HE MET 1 -12.408 -19.973 -2.426 12 H GLY 2 H GLY 2 -8.796 -15.010 -3.239 13 1HA GLY 2 2HA GLY 2 -7.454 -16.426 -5.527 14 2HA GLY 2 1HA GLY 2 -8.961 -15.505 -5.727 15 H ASP 3 H ASP 3 -6.155 -15.048 -3.635 16 HA ASP 3 HA ASP 3 -5.162 -12.530 -4.326 17 1HB ASP 3 2HB ASP 3 -6.499 -11.080 -2.912 18 2HB ASP 3 3HB ASP 3 -7.588 -11.835 -4.069 19 H GLY 4 H GLY 4 -3.971 -11.708 -2.474 20 1HA GLY 4 2HA GLY 4 -3.969 -13.262 0.050 21 2HA GLY 4 1HA GLY 4 -2.428 -12.982 -0.800 22 H VAL 5 H VAL 5 -2.728 -11.906 1.708 23 HA VAL 5 HA VAL 5 -3.481 -9.044 1.426 24 HB VAL 5 HB VAL 5 -2.974 -10.834 3.821 25 1HG1 VAL 5 1HG1 VAL 5 -3.618 -8.892 5.216 26 2HG1 VAL 5 2HG1 VAL 5 -2.064 -8.689 4.416 27 3HG1 VAL 5 3HG1 VAL 5 -3.501 -7.847 3.781 28 1HG2 VAL 5 1HG2 VAL 5 -5.310 -10.404 4.356 29 2HG2 VAL 5 2HG2 VAL 5 -5.472 -9.329 2.959 30 3HG2 VAL 5 3HG2 VAL 5 -5.210 -11.071 2.719 31 H LEU 6 H LEU 6 -1.936 -7.438 1.780 32 HA LEU 6 HA LEU 6 0.800 -8.234 2.591 33 1HB LEU 6 2HB LEU 6 0.858 -7.778 0.127 34 2HB LEU 6 3HB LEU 6 0.151 -6.192 0.434 35 HG LEU 6 HG LEU 6 2.207 -5.683 1.864 36 1HD1 LEU 6 1HD1 LEU 6 4.229 -7.062 1.396 37 2HD1 LEU 6 2HD1 LEU 6 3.014 -7.972 2.296 38 3HD1 LEU 6 3HD1 LEU 6 3.215 -8.249 0.553 39 1HD2 LEU 6 1HD2 LEU 6 2.606 -6.333 -1.087 40 2HD2 LEU 6 2HD2 LEU 6 1.942 -4.825 -0.424 41 3HD2 LEU 6 3HD2 LEU 6 3.633 -5.252 -0.120 42 H GLU 7 H GLU 7 1.233 -7.149 4.463 43 HA GLU 7 HA GLU 7 -0.228 -4.606 5.017 44 1HB GLU 7 2HB GLU 7 0.278 -6.976 6.822 45 2HB GLU 7 3HB GLU 7 -0.029 -5.352 7.461 46 1HG GLU 7 2HG GLU 7 -2.106 -5.161 6.360 47 2HG GLU 7 3HG GLU 7 -1.848 -6.619 5.397 48 H LEU 8 H LEU 8 1.059 -2.937 5.323 49 HA LEU 8 HA LEU 8 3.750 -3.382 6.419 50 1HB LEU 8 2HB LEU 8 4.817 -1.971 4.727 51 2HB LEU 8 3HB LEU 8 4.200 -3.475 4.065 52 HG LEU 8 HG LEU 8 4.034 -1.706 2.526 53 1HD1 LEU 8 1HD1 LEU 8 1.203 -2.422 3.293 54 2HD1 LEU 8 2HD1 LEU 8 1.823 -1.938 1.712 55 3HD1 LEU 8 3HD1 LEU 8 2.340 -3.471 2.429 56 1HD2 LEU 8 1HD2 LEU 8 3.816 0.207 4.080 57 2HD2 LEU 8 2HD2 LEU 8 2.709 0.261 2.701 58 3HD2 LEU 8 3HD2 LEU 8 2.097 -0.191 4.292 59 H VAL 9 H VAL 9 4.755 -1.498 7.278 60 HA VAL 9 HA VAL 9 2.876 0.494 8.347 61 HB VAL 9 HB VAL 9 5.688 -0.440 8.864 62 1HG1 VAL 9 1HG1 VAL 9 6.242 1.847 8.405 63 2HG1 VAL 9 2HG1 VAL 9 4.818 2.429 9.314 64 3HG1 VAL 9 3HG1 VAL 9 6.178 1.648 10.156 65 1HG2 VAL 9 1HG2 VAL 9 5.010 -0.247 11.153 66 2HG2 VAL 9 2HG2 VAL 9 3.629 0.774 10.736 67 3HG2 VAL 9 3HG2 VAL 9 3.624 -0.955 10.293 68 H VAL 10 H VAL 10 2.292 2.031 6.832 69 HA VAL 10 HA VAL 10 4.176 2.891 4.787 70 HB VAL 10 HB VAL 10 1.675 2.667 4.478 71 1HG1 VAL 10 1HG1 VAL 10 1.041 3.680 6.725 72 2HG1 VAL 10 2HG1 VAL 10 1.517 5.258 6.074 73 3HG1 VAL 10 3HG1 VAL 10 0.196 4.345 5.330 74 1HG2 VAL 10 1HG2 VAL 10 3.083 3.943 2.969 75 2HG2 VAL 10 2HG2 VAL 10 1.507 4.734 3.169 76 3HG2 VAL 10 3HG2 VAL 10 2.946 5.382 4.002 77 H ARG 11 H ARG 11 5.382 4.747 5.003 78 HA ARG 11 HA ARG 11 5.114 6.486 7.386 79 1HB ARG 11 2HB ARG 11 7.367 4.633 6.669 80 2HB ARG 11 3HB ARG 11 7.842 6.229 7.272 81 1HG ARG 11 2HG ARG 11 5.864 4.460 8.726 82 2HG ARG 11 3HG ARG 11 7.614 4.294 8.934 83 1HD ARG 11 2HD ARG 11 7.830 6.524 9.838 84 2HD ARG 11 3HD ARG 11 6.227 6.985 9.279 85 HE ARG 11 HE ARG 11 5.218 6.077 11.086 86 1HH1 ARG 11 2HH2 ARG 11 8.462 4.715 10.924 87 2HH1 ARG 11 1HH2 ARG 11 8.344 3.866 12.437 88 1HH2 ARG 11 2HH1 ARG 11 4.961 4.980 12.911 89 2HH2 ARG 11 1HH1 ARG 11 6.232 4.033 13.668 90 H GLY 12 H GLY 12 6.787 8.361 7.066 91 1HA GLY 12 2HA GLY 12 7.522 10.114 5.778 92 2HA GLY 12 1HA GLY 12 7.321 9.139 4.316 93 H MET 13 H MET 13 4.548 8.480 4.517 94 HA MET 13 HA MET 13 3.471 10.920 3.447 95 1HB MET 13 2HB MET 13 1.851 9.544 2.586 96 2HB MET 13 3HB MET 13 3.176 8.416 2.767 97 1HG MET 13 2HG MET 13 1.431 7.208 3.543 98 2HG MET 13 3HG MET 13 2.139 7.794 5.045 99 1HE MET 13 1HE MET 13 -1.632 7.420 5.720 100 2HE MET 13 2HE MET 13 -0.543 6.449 4.702 101 3HE MET 13 3HE MET 13 0.041 7.078 6.263 102 H THR 14 H THR 14 2.011 12.283 4.391 103 HA THR 14 HA THR 14 1.673 11.954 7.353 104 HB THR 14 HB THR 14 3.857 12.894 6.735 105 HG1 THR 14 1HG THR 14 1.986 14.520 8.064 106 1HG2 THR 14 1HG2 THR 14 2.267 15.211 5.540 107 2HG2 THR 14 2HG2 THR 14 4.017 15.166 5.822 108 3HG2 THR 14 3HG2 THR 14 3.293 14.068 4.641 109 H CYS 15 H CYS 15 -0.399 12.555 4.826 110 HA CYS 15 HA CYS 15 -2.159 13.811 6.735 111 1HB CYS 15 2HB CYS 15 -2.634 15.868 5.608 112 2HB CYS 15 3HB CYS 15 -0.903 15.807 5.875 113 H ALA 16 H ALA 16 -4.311 14.348 5.658 114 HA ALA 16 HA ALA 16 -5.496 12.095 4.533 115 1HB ALA 16 1HB ALA 16 -6.339 15.009 4.273 116 2HB ALA 16 2HB ALA 16 -7.372 13.596 3.978 117 3HB ALA 16 3HB ALA 16 -6.747 13.908 5.608 118 H SER 17 H SER 17 -4.121 14.986 2.915 119 HA SER 17 HA SER 17 -4.849 14.280 0.279 120 1HB SER 17 2HB SER 17 -2.526 16.041 1.087 121 2HB SER 17 3HB SER 17 -3.483 16.085 -0.399 122 HG SER 17 HG SER 17 -5.322 16.571 0.955 123 H CYS 18 H CYS 18 -2.308 13.026 2.352 124 HA CYS 18 HA CYS 18 -0.989 11.626 0.121 125 1HB CYS 18 2HB CYS 18 -0.652 11.203 3.076 126 2HB CYS 18 3HB CYS 18 0.148 10.388 1.738 127 H VAL 19 H VAL 19 -2.987 10.766 2.951 128 HA VAL 19 HA VAL 19 -3.339 8.106 2.535 129 HB VAL 19 HB VAL 19 -5.363 10.156 3.486 130 1HG1 VAL 19 1HG1 VAL 19 -6.622 8.374 4.592 131 2HG1 VAL 19 2HG1 VAL 19 -6.719 8.225 2.839 132 3HG1 VAL 19 3HG1 VAL 19 -5.657 7.149 3.764 133 1HG2 VAL 19 1HG2 VAL 19 -3.237 9.813 4.816 134 2HG2 VAL 19 2HG2 VAL 19 -4.713 9.423 5.711 135 3HG2 VAL 19 3HG2 VAL 19 -3.719 8.120 5.034 136 H HIS 20 H HIS 20 -5.708 10.479 1.184 137 HA HIS 20 HA HIS 20 -7.056 8.386 -0.227 138 1HB HIS 20 2HB HIS 20 -8.496 9.957 -1.080 139 2HB HIS 20 3HB HIS 20 -8.040 10.603 0.494 140 HD1 HIS 20 1HD HIS 20 -9.106 12.187 -2.251 141 HD2 HIS 20 2HD HIS 20 -5.263 12.084 -0.554 142 HE1 HIS 20 1HE HIS 20 -7.886 14.277 -3.065 143 H LYS 21 H LYS 21 -4.243 10.266 -1.063 144 HA LYS 21 HA LYS 21 -4.474 9.976 -3.953 145 1HB LYS 21 2HB LYS 21 -3.363 11.878 -2.969 146 2HB LYS 21 3HB LYS 21 -2.217 10.828 -2.117 147 1HG LYS 21 2HG LYS 21 -1.072 10.229 -4.128 148 2HG LYS 21 3HG LYS 21 -2.441 10.732 -5.117 149 1HD LYS 21 2HD LYS 21 -0.850 12.391 -5.468 150 2HD LYS 21 3HD LYS 21 -2.054 13.118 -4.411 151 1HE LYS 21 2HE LYS 21 0.755 12.156 -3.683 152 2HE LYS 21 3HE LYS 21 0.172 13.823 -3.770 153 1HZ LYS 21 1HZ LYS 21 0.211 13.220 -1.516 154 2HZ LYS 21 2HZ LYS 21 -1.390 13.169 -1.895 155 3HZ LYS 21 3HZ LYS 21 -0.538 11.791 -1.796 156 H ILE 22 H ILE 22 -2.712 8.432 -1.240 157 HA ILE 22 HA ILE 22 -1.279 6.510 -2.781 158 HB ILE 22 HB ILE 22 -2.345 6.385 0.064 159 1HG1 ILE 22 2HG1 ILE 22 0.508 6.766 -0.919 160 2HG1 ILE 22 3HG1 ILE 22 -0.573 8.140 -0.654 161 1HG2 ILE 22 1HG2 ILE 22 -0.397 4.541 -1.400 162 2HG2 ILE 22 2HG2 ILE 22 -0.678 4.514 0.349 163 3HG2 ILE 22 3HG2 ILE 22 -1.984 4.083 -0.745 164 1HD1 ILE 22 1HD1 ILE 22 0.299 6.172 1.495 165 2HD1 ILE 22 2HD1 ILE 22 0.794 7.859 1.273 166 3HD1 ILE 22 3HD1 ILE 22 -0.885 7.490 1.699 167 H GLU 23 H GLU 23 -4.464 6.150 -1.059 168 HA GLU 23 HA GLU 23 -5.011 3.601 -2.123 169 1HB GLU 23 2HB GLU 23 -6.987 5.769 -1.286 170 2HB GLU 23 3HB GLU 23 -7.377 4.065 -1.569 171 1HG GLU 23 2HG GLU 23 -5.679 3.422 0.174 172 2HG GLU 23 3HG GLU 23 -5.451 5.145 0.521 173 H SER 24 H SER 24 -6.137 6.770 -3.389 174 HA SER 24 HA SER 24 -7.501 5.828 -5.650 175 1HB SER 24 2HB SER 24 -7.605 8.124 -4.741 176 2HB SER 24 3HB SER 24 -5.955 8.430 -5.330 177 HG SER 24 HG SER 24 -7.637 9.163 -6.758 178 H SER 25 H SER 25 -3.982 6.347 -5.212 179 HA SER 25 HA SER 25 -3.378 6.059 -8.047 180 1HB SER 25 2HB SER 25 -1.908 7.266 -6.438 181 2HB SER 25 3HB SER 25 -1.558 5.728 -5.621 182 HG SER 25 HG SER 25 0.021 6.200 -7.193 183 H LEU 26 H LEU 26 -3.109 4.004 -5.119 184 HA LEU 26 HA LEU 26 -2.122 1.732 -6.431 185 1HB LEU 26 2HB LEU 26 -3.320 2.361 -3.768 186 2HB LEU 26 3HB LEU 26 -3.387 0.688 -4.269 187 HG LEU 26 HG LEU 26 -0.979 0.589 -4.626 188 1HD1 LEU 26 1HD1 LEU 26 -0.482 2.922 -5.324 189 2HD1 LEU 26 2HD1 LEU 26 -0.873 3.492 -3.688 190 3HD1 LEU 26 3HD1 LEU 26 0.518 2.431 -3.956 191 1HD2 LEU 26 1HD2 LEU 26 -1.696 1.851 -1.951 192 2HD2 LEU 26 2HD2 LEU 26 -1.931 0.144 -2.396 193 3HD2 LEU 26 3HD2 LEU 26 -0.291 0.815 -2.275 194 H THR 27 H THR 27 -5.585 2.625 -5.822 195 HA THR 27 HA THR 27 -6.630 0.142 -6.749 196 HB THR 27 HB THR 27 -8.717 1.535 -7.140 197 HG1 THR 27 1HG THR 27 -8.519 3.679 -6.245 198 1HG2 THR 27 1HG2 THR 27 -8.300 0.394 -4.999 199 2HG2 THR 27 2HG2 THR 27 -7.322 1.760 -4.428 200 3HG2 THR 27 3HG2 THR 27 -9.059 1.970 -4.723 201 H LYS 28 H LYS 28 -4.939 2.520 -8.601 202 HA LYS 28 HA LYS 28 -6.259 2.045 -11.114 203 1HB LYS 28 2HB LYS 28 -3.365 2.762 -10.564 204 2HB LYS 28 3HB LYS 28 -4.204 2.896 -12.105 205 1HG LYS 28 2HG LYS 28 -5.540 4.321 -9.830 206 2HG LYS 28 3HG LYS 28 -3.959 4.944 -10.201 207 1HD LYS 28 2HD LYS 28 -5.973 4.514 -12.444 208 2HD LYS 28 3HD LYS 28 -6.129 5.891 -11.358 209 1HE LYS 28 2HE LYS 28 -4.851 6.487 -13.404 210 2HE LYS 28 3HE LYS 28 -3.966 6.769 -11.900 211 1HZ LYS 28 1HZ LYS 28 -2.801 4.703 -12.264 212 2HZ LYS 28 2HZ LYS 28 -3.591 4.460 -13.685 213 3HZ LYS 28 3HZ LYS 28 -2.567 5.739 -13.522 214 H HIS 29 H HIS 29 -3.916 0.188 -9.157 215 HA HIS 29 HA HIS 29 -3.182 -1.554 -11.410 216 1HB HIS 29 2HB HIS 29 -2.732 -2.163 -8.484 217 2HB HIS 29 3HB HIS 29 -1.877 -2.757 -9.900 218 HD1 HIS 29 1HD HIS 29 -0.132 -0.757 -10.995 219 HD2 HIS 29 2HD HIS 29 -1.628 -0.442 -7.088 220 HE1 HIS 29 1HE HIS 29 1.418 0.836 -9.734 221 H ARG 30 H ARG 30 -4.999 -2.773 -12.152 222 HA ARG 30 HA ARG 30 -6.981 -3.882 -10.418 223 1HB ARG 30 2HB ARG 30 -5.856 -4.834 -13.107 224 2HB ARG 30 3HB ARG 30 -7.180 -5.658 -12.269 225 1HG ARG 30 2HG ARG 30 -8.533 -3.617 -12.289 226 2HG ARG 30 3HG ARG 30 -7.263 -2.740 -13.154 227 1HD ARG 30 2HD ARG 30 -7.505 -4.004 -15.120 228 2HD ARG 30 3HD ARG 30 -8.282 -5.360 -14.327 229 HE ARG 30 HE ARG 30 -9.539 -2.991 -15.411 230 1HH1 ARG 30 2HH2 ARG 30 -9.850 -5.411 -12.878 231 2HH1 ARG 30 1HH2 ARG 30 -11.585 -5.418 -12.838 232 1HH2 ARG 30 2HH1 ARG 30 -11.864 -2.931 -15.386 233 2HH2 ARG 30 1HH1 ARG 30 -12.753 -3.937 -14.290 234 H GLY 31 H GLY 31 -3.652 -4.810 -10.778 235 1HA GLY 31 2HA GLY 31 -3.812 -7.472 -9.789 236 2HA GLY 31 1HA GLY 31 -2.436 -6.366 -9.619 237 H ILE 32 H ILE 32 -4.197 -4.318 -8.116 238 HA ILE 32 HA ILE 32 -4.252 -5.783 -5.545 239 HB ILE 32 HB ILE 32 -4.163 -3.914 -4.371 240 1HG1 ILE 32 2HG1 ILE 32 -3.869 -1.591 -5.293 241 2HG1 ILE 32 3HG1 ILE 32 -4.639 -2.143 -6.774 242 1HG2 ILE 32 1HG2 ILE 32 -2.049 -4.658 -5.308 243 2HG2 ILE 32 2HG2 ILE 32 -2.190 -3.450 -6.606 244 3HG2 ILE 32 3HG2 ILE 32 -2.034 -2.935 -4.917 245 1HD1 ILE 32 1HD1 ILE 32 -6.043 -1.006 -4.883 246 2HD1 ILE 32 2HD1 ILE 32 -6.722 -2.453 -5.637 247 3HD1 ILE 32 3HD1 ILE 32 -5.928 -2.557 -4.050 248 H LEU 33 H LEU 33 -6.154 -6.125 -4.531 249 HA LEU 33 HA LEU 33 -8.645 -5.566 -6.081 250 1HB LEU 33 2HB LEU 33 -8.219 -7.391 -3.694 251 2HB LEU 33 3HB LEU 33 -9.663 -7.248 -4.709 252 HG LEU 33 HG LEU 33 -6.943 -8.383 -5.479 253 1HD1 LEU 33 1HD1 LEU 33 -8.217 -10.438 -5.807 254 2HD1 LEU 33 2HD1 LEU 33 -8.530 -9.795 -4.174 255 3HD1 LEU 33 3HD1 LEU 33 -9.741 -9.598 -5.455 256 1HD2 LEU 33 1HD2 LEU 33 -9.351 -7.862 -7.285 257 2HD2 LEU 33 2HD2 LEU 33 -7.722 -7.172 -7.465 258 3HD2 LEU 33 3HD2 LEU 33 -7.973 -8.900 -7.704 259 H TYR 34 H TYR 34 -7.003 -4.989 -2.938 260 HA TYR 34 HA TYR 34 -8.691 -2.638 -2.669 261 1HB TYR 34 2HB TYR 34 -9.985 -4.513 -1.486 262 2HB TYR 34 3HB TYR 34 -8.585 -4.663 -0.407 263 HD1 TYR 34 HD1 TYR 34 -9.245 -3.971 1.712 264 HD2 TYR 34 HD2 TYR 34 -10.478 -1.649 -1.713 265 HE1 TYR 34 HE1 TYR 34 -10.074 -2.183 3.205 266 HE2 TYR 34 HE2 TYR 34 -11.083 0.223 -0.222 267 HH TYR 34 HH TYR 34 -10.947 1.041 1.947 268 H CYS 35 H CYS 35 -7.900 -1.131 -1.156 269 HA CYS 35 HA CYS 35 -5.322 -1.599 0.190 270 1HB CYS 35 2HB CYS 35 -4.690 -0.506 -1.940 271 2HB CYS 35 3HB CYS 35 -5.918 0.753 -1.651 272 HG CYS 35 HG CYS 35 -3.700 1.824 -1.070 273 H SER 36 H SER 36 -5.579 -0.880 2.236 274 HA SER 36 HA SER 36 -7.408 1.416 2.798 275 1HB SER 36 2HB SER 36 -8.605 -0.431 3.672 276 2HB SER 36 3HB SER 36 -7.151 -1.185 4.336 277 HG SER 36 HG SER 36 -8.441 1.216 5.164 278 H VAL 37 H VAL 37 -5.931 3.011 3.186 279 HA VAL 37 HA VAL 37 -3.430 2.319 4.661 280 HB VAL 37 HB VAL 37 -3.364 3.233 2.265 281 1HG1 VAL 37 1HG1 VAL 37 -5.045 5.097 2.759 282 2HG1 VAL 37 2HG1 VAL 37 -3.753 5.896 3.677 283 3HG1 VAL 37 3HG1 VAL 37 -3.547 5.586 1.943 284 1HG2 VAL 37 1HG2 VAL 37 -1.370 4.596 2.757 285 2HG2 VAL 37 2HG2 VAL 37 -1.846 4.652 4.467 286 3HG2 VAL 37 3HG2 VAL 37 -1.396 3.108 3.720 287 H ALA 38 H ALA 38 -2.703 3.653 6.375 288 HA ALA 38 HA ALA 38 -4.378 5.903 7.219 289 1HB ALA 38 1HB ALA 38 -5.587 4.070 8.328 290 2HB ALA 38 2HB ALA 38 -4.048 3.487 9.021 291 3HB ALA 38 3HB ALA 38 -4.688 5.056 9.511 292 H LEU 39 H LEU 39 -2.966 7.411 7.712 293 HA LEU 39 HA LEU 39 -0.342 6.976 8.860 294 1HB LEU 39 2HB LEU 39 -0.288 9.368 9.217 295 2HB LEU 39 3HB LEU 39 -0.766 8.958 7.583 296 HG LEU 39 HG LEU 39 -3.245 9.316 8.505 297 1HD1 LEU 39 1HD1 LEU 39 -2.624 9.739 10.905 298 2HD1 LEU 39 2HD1 LEU 39 -1.569 11.060 10.381 299 3HD1 LEU 39 3HD1 LEU 39 -3.323 11.169 10.152 300 1HD2 LEU 39 1HD2 LEU 39 -2.108 10.625 6.724 301 2HD2 LEU 39 2HD2 LEU 39 -3.087 11.651 7.784 302 3HD2 LEU 39 3HD2 LEU 39 -1.321 11.610 7.974 303 H ALA 40 H ALA 40 -3.654 7.106 10.045 304 HA ALA 40 HA ALA 40 -3.161 7.880 12.723 305 1HB ALA 40 1HB ALA 40 -5.277 5.950 11.664 306 2HB ALA 40 2HB ALA 40 -5.290 6.771 13.236 307 3HB ALA 40 3HB ALA 40 -5.420 7.721 11.743 308 H THR 41 H THR 41 -3.282 4.579 11.259 309 HA THR 41 HA THR 41 -2.135 3.336 13.611 310 HB THR 41 HB THR 41 -1.989 1.969 11.002 311 HG1 THR 41 1HG THR 41 -4.467 2.804 12.101 312 1HG2 THR 41 1HG2 THR 41 -3.051 0.151 12.245 313 2HG2 THR 41 2HG2 THR 41 -1.650 0.794 13.123 314 3HG2 THR 41 3HG2 THR 41 -3.297 1.222 13.642 315 H ASN 42 H ASN 42 -1.076 4.554 10.476 316 HA ASN 42 HA ASN 42 0.872 4.630 9.315 317 1HB ASN 42 2HB ASN 42 2.354 3.410 11.697 318 2HB ASN 42 3HB ASN 42 3.000 3.844 10.124 319 1HD2 ASN 42 1HD2 ASN 42 0.786 6.290 10.796 320 2HD2 ASN 42 2HD2 ASN 42 1.936 7.419 11.375 321 H LYS 43 H LYS 43 -0.751 3.123 8.340 322 HA LYS 43 HA LYS 43 0.659 0.624 7.916 323 1HB LYS 43 2HB LYS 43 -1.197 -0.875 8.275 324 2HB LYS 43 3HB LYS 43 -0.812 -0.014 9.750 325 1HG LYS 43 2HG LYS 43 -3.095 0.110 9.798 326 2HG LYS 43 3HG LYS 43 -2.746 1.642 8.976 327 1HD LYS 43 2HD LYS 43 -3.315 0.687 6.829 328 2HD LYS 43 3HD LYS 43 -3.409 -0.948 7.531 329 1HE LYS 43 2HE LYS 43 -5.354 -0.072 8.948 330 2HE LYS 43 3HE LYS 43 -5.225 1.446 8.050 331 1HZ LYS 43 1HZ LYS 43 -5.432 -0.041 6.017 332 2HZ LYS 43 2HZ LYS 43 -5.968 -1.217 7.024 333 3HZ LYS 43 3HZ LYS 43 -6.812 0.185 6.816 334 H ALA 44 H ALA 44 0.063 -0.424 6.016 335 HA ALA 44 HA ALA 44 -2.308 0.533 4.558 336 1HB ALA 44 1HB ALA 44 -0.147 1.323 3.335 337 2HB ALA 44 2HB ALA 44 0.141 -0.395 3.034 338 3HB ALA 44 3HB ALA 44 -1.334 0.370 2.420 339 H HIS 45 H HIS 45 -3.652 -1.155 4.257 340 HA HIS 45 HA HIS 45 -2.558 -3.912 4.477 341 1HB HIS 45 2HB HIS 45 -4.161 -3.476 6.302 342 2HB HIS 45 3HB HIS 45 -5.339 -2.852 5.141 343 HD1 HIS 45 1HD HIS 45 -4.608 -5.971 6.928 344 HD2 HIS 45 2HD HIS 45 -5.878 -4.892 3.058 345 HE1 HIS 45 1HE HIS 45 -5.889 -7.957 5.994 346 H ILE 46 H ILE 46 -2.424 -4.618 2.453 347 HA ILE 46 HA ILE 46 -4.191 -3.544 0.336 348 HB ILE 46 HB ILE 46 -1.710 -5.108 -0.278 349 1HG1 ILE 46 2HG1 ILE 46 -0.746 -3.496 1.291 350 2HG1 ILE 46 3HG1 ILE 46 -0.211 -3.286 -0.355 351 1HG2 ILE 46 1HG2 ILE 46 -3.159 -2.827 -1.670 352 2HG2 ILE 46 2HG2 ILE 46 -1.711 -3.646 -2.287 353 3HG2 ILE 46 3HG2 ILE 46 -3.216 -4.551 -2.072 354 1HD1 ILE 46 1HD1 ILE 46 -0.620 -1.144 0.719 355 2HD1 ILE 46 2HD1 ILE 46 -1.735 -1.358 -0.638 356 3HD1 ILE 46 3HD1 ILE 46 -2.316 -1.576 1.029 357 H LYS 47 H LYS 47 -5.191 -5.242 -0.898 358 HA LYS 47 HA LYS 47 -4.133 -7.909 -0.429 359 1HB LYS 47 2HB LYS 47 -6.420 -8.944 -0.582 360 2HB LYS 47 3HB LYS 47 -5.919 -8.263 0.976 361 1HG LYS 47 2HG LYS 47 -7.410 -6.503 0.919 362 2HG LYS 47 3HG LYS 47 -7.402 -6.438 -0.851 363 1HD LYS 47 2HD LYS 47 -9.586 -7.295 -0.117 364 2HD LYS 47 3HD LYS 47 -8.676 -8.456 -1.087 365 1HE LYS 47 2HE LYS 47 -7.898 -9.217 1.469 366 2HE LYS 47 3HE LYS 47 -9.515 -8.596 1.788 367 1HZ LYS 47 1HZ LYS 47 -9.519 -10.938 1.265 368 2HZ LYS 47 2HZ LYS 47 -10.284 -10.154 0.037 369 3HZ LYS 47 3HZ LYS 47 -8.750 -10.708 -0.148 370 H TYR 48 H TYR 48 -4.077 -9.149 -2.247 371 HA TYR 48 HA TYR 48 -4.591 -7.836 -4.814 372 1HB TYR 48 2HB TYR 48 -2.287 -7.245 -5.152 373 2HB TYR 48 3HB TYR 48 -2.724 -6.541 -3.607 374 HD1 TYR 48 HD1 TYR 48 -2.160 -8.158 -1.464 375 HD2 TYR 48 HD2 TYR 48 -0.256 -8.379 -5.319 376 HE1 TYR 48 HE1 TYR 48 -0.451 -9.689 -0.556 377 HE2 TYR 48 HE2 TYR 48 1.693 -9.482 -4.269 378 HH TYR 48 HH TYR 48 1.582 -10.675 -0.898 379 H ASP 49 H ASP 49 -3.549 -9.012 -6.578 380 HA ASP 49 HA ASP 49 -3.194 -11.902 -5.993 381 1HB ASP 49 2HB ASP 49 -4.734 -11.444 -7.783 382 2HB ASP 49 3HB ASP 49 -3.524 -10.452 -8.620 383 HA PRO 50 HA PRO 50 1.131 -10.763 -6.028 384 1HB PRO 50 2HB PRO 50 2.317 -13.178 -5.620 385 2HB PRO 50 3HB PRO 50 1.343 -12.355 -4.366 386 1HG PRO 50 2HG PRO 50 0.420 -14.506 -6.297 387 2HG PRO 50 3HG PRO 50 0.216 -14.477 -4.519 388 1HD PRO 50 2HD PRO 50 -1.748 -13.649 -6.210 389 2HD PRO 50 3HD PRO 50 -1.455 -12.792 -4.663 390 H GLU 51 H GLU 51 -0.295 -12.758 -8.558 391 HA GLU 51 HA GLU 51 2.247 -12.950 -10.046 392 1HB GLU 51 2HB GLU 51 0.607 -14.844 -10.006 393 2HB GLU 51 3HB GLU 51 -0.587 -13.807 -10.802 394 1HG GLU 51 2HG GLU 51 0.921 -13.537 -12.731 395 2HG GLU 51 3HG GLU 51 2.173 -14.486 -11.905 396 H ILE 52 H ILE 52 -1.008 -11.444 -10.136 397 HA ILE 52 HA ILE 52 -0.447 -9.832 -12.462 398 HB ILE 52 HB ILE 52 -2.500 -9.299 -10.297 399 1HG1 ILE 52 2HG1 ILE 52 -2.703 -10.812 -12.936 400 2HG1 ILE 52 3HG1 ILE 52 -2.697 -11.557 -11.337 401 1HG2 ILE 52 1HG2 ILE 52 -2.322 -8.375 -13.214 402 2HG2 ILE 52 2HG2 ILE 52 -3.650 -8.001 -12.103 403 3HG2 ILE 52 3HG2 ILE 52 -2.052 -7.336 -11.808 404 1HD1 ILE 52 1HD1 ILE 52 -4.791 -10.279 -10.764 405 2HD1 ILE 52 2HD1 ILE 52 -4.893 -9.800 -12.476 406 3HD1 ILE 52 3HD1 ILE 52 -4.961 -11.509 -12.031 407 H ILE 53 H ILE 53 -0.049 -9.179 -8.928 408 HA ILE 53 HA ILE 53 1.911 -7.159 -9.810 409 HB ILE 53 HB ILE 53 -0.270 -6.004 -9.338 410 1HG1 ILE 53 2HG1 ILE 53 2.061 -5.212 -7.599 411 2HG1 ILE 53 3HG1 ILE 53 1.994 -5.000 -9.369 412 1HG2 ILE 53 1HG2 ILE 53 -0.856 -7.367 -7.268 413 2HG2 ILE 53 2HG2 ILE 53 0.352 -6.367 -6.398 414 3HG2 ILE 53 3HG2 ILE 53 -1.060 -5.623 -7.160 415 1HD1 ILE 53 1HD1 ILE 53 1.353 -2.904 -8.304 416 2HD1 ILE 53 2HD1 ILE 53 -0.019 -3.630 -9.152 417 3HD1 ILE 53 3HD1 ILE 53 0.086 -3.708 -7.375 418 H GLY 54 H GLY 54 3.774 -7.953 -9.167 419 1HA GLY 54 2HA GLY 54 4.167 -9.654 -6.931 420 2HA GLY 54 1HA GLY 54 5.419 -8.670 -7.717 421 HA PRO 55 HA PRO 55 3.388 -6.893 -3.628 422 1HB PRO 55 2HB PRO 55 5.202 -7.662 -1.659 423 2HB PRO 55 3HB PRO 55 3.701 -8.526 -2.087 424 1HG PRO 55 2HG PRO 55 6.503 -9.112 -3.057 425 2HG PRO 55 3HG PRO 55 5.279 -10.267 -2.455 426 1HD PRO 55 2HD PRO 55 5.663 -9.910 -5.106 427 2HD PRO 55 3HD PRO 55 4.005 -10.090 -4.466 428 H ARG 56 H ARG 56 6.857 -7.209 -4.455 429 HA ARG 56 HA ARG 56 7.679 -4.772 -3.313 430 1HB ARG 56 2HB ARG 56 9.245 -6.564 -4.104 431 2HB ARG 56 3HB ARG 56 8.817 -6.154 -5.772 432 1HG ARG 56 2HG ARG 56 10.924 -5.126 -5.302 433 2HG ARG 56 3HG ARG 56 9.736 -3.843 -5.404 434 1HD ARG 56 2HD ARG 56 9.665 -4.259 -2.708 435 2HD ARG 56 3HD ARG 56 11.276 -4.907 -3.049 436 HE ARG 56 HE ARG 56 10.918 -2.325 -4.285 437 1HH1 ARG 56 2HH2 ARG 56 11.371 -3.804 -1.105 438 2HH1 ARG 56 1HH2 ARG 56 11.889 -2.321 -0.346 439 1HH2 ARG 56 2HH1 ARG 56 11.433 -0.258 -3.148 440 2HH2 ARG 56 1HH1 ARG 56 11.780 -0.303 -1.542 441 H ASP 57 H ASP 57 5.797 -5.237 -6.284 442 HA ASP 57 HA ASP 57 6.603 -2.734 -7.467 443 1HB ASP 57 2HB ASP 57 5.550 -4.566 -8.743 444 2HB ASP 57 3HB ASP 57 4.047 -4.312 -7.840 445 H ILE 58 H ILE 58 3.940 -3.723 -5.280 446 HA ILE 58 HA ILE 58 2.640 -1.194 -5.076 447 HB ILE 58 HB ILE 58 2.945 -3.438 -3.041 448 1HG1 ILE 58 2HG1 ILE 58 0.414 -2.749 -4.530 449 2HG1 ILE 58 3HG1 ILE 58 1.653 -3.701 -5.362 450 1HG2 ILE 58 1HG2 ILE 58 1.225 -0.931 -2.990 451 2HG2 ILE 58 2HG2 ILE 58 0.885 -2.351 -1.995 452 3HG2 ILE 58 3HG2 ILE 58 2.391 -1.475 -1.760 453 1HD1 ILE 58 1HD1 ILE 58 0.019 -5.172 -4.254 454 2HD1 ILE 58 2HD1 ILE 58 1.657 -5.383 -3.615 455 3HD1 ILE 58 3HD1 ILE 58 0.454 -4.484 -2.678 456 H ILE 59 H ILE 59 5.208 -2.680 -3.068 457 HA ILE 59 HA ILE 59 5.702 -0.529 -1.320 458 HB ILE 59 HB ILE 59 7.621 -2.571 -2.520 459 1HG1 ILE 59 2HG1 ILE 59 5.806 -3.705 -1.352 460 2HG1 ILE 59 3HG1 ILE 59 7.331 -3.869 -0.496 461 1HG2 ILE 59 1HG2 ILE 59 8.986 -2.150 -0.485 462 2HG2 ILE 59 2HG2 ILE 59 8.937 -0.824 -1.664 463 3HG2 ILE 59 3HG2 ILE 59 7.979 -0.719 -0.177 464 1HD1 ILE 59 1HD1 ILE 59 6.599 -2.105 1.111 465 2HD1 ILE 59 2HD1 ILE 59 5.044 -1.996 0.238 466 3HD1 ILE 59 3HD1 ILE 59 5.501 -3.494 1.059 467 H HIS 60 H HIS 60 7.349 -1.248 -4.420 468 HA HIS 60 HA HIS 60 8.901 1.113 -4.503 469 1HB HIS 60 2HB HIS 60 9.784 -0.293 -6.008 470 2HB HIS 60 3HB HIS 60 8.252 -1.099 -6.330 471 HD1 HIS 60 1HD HIS 60 10.052 2.101 -7.522 472 HD2 HIS 60 2HD HIS 60 6.788 -0.420 -8.274 473 HE1 HIS 60 1HE HIS 60 9.025 2.905 -9.721 474 H THR 61 H THR 61 5.501 0.566 -5.456 475 HA THR 61 HA THR 61 5.311 3.030 -6.948 476 HB THR 61 HB THR 61 3.138 1.357 -5.605 477 HG1 THR 61 1HG THR 61 4.206 0.264 -7.279 478 1HG2 THR 61 1HG2 THR 61 2.965 3.602 -7.661 479 2HG2 THR 61 2HG2 THR 61 1.632 2.539 -7.175 480 3HG2 THR 61 3HG2 THR 61 2.333 3.658 -5.998 481 H ILE 62 H ILE 62 4.457 2.072 -3.593 482 HA ILE 62 HA ILE 62 3.704 4.619 -2.618 483 HB ILE 62 HB ILE 62 4.937 2.176 -1.329 484 1HG1 ILE 62 2HG1 ILE 62 2.172 3.387 -0.992 485 2HG1 ILE 62 3HG1 ILE 62 2.546 2.228 -2.281 486 1HG2 ILE 62 1HG2 ILE 62 4.245 3.269 0.889 487 2HG2 ILE 62 2HG2 ILE 62 5.599 4.079 0.113 488 3HG2 ILE 62 3HG2 ILE 62 3.953 4.756 -0.003 489 1HD1 ILE 62 1HD1 ILE 62 1.570 1.010 -0.458 490 2HD1 ILE 62 2HD1 ILE 62 3.287 0.573 -0.560 491 3HD1 ILE 62 3HD1 ILE 62 2.716 1.683 0.706 492 H GLU 63 H GLU 63 6.987 3.097 -2.663 493 HA GLU 63 HA GLU 63 8.420 5.286 -1.602 494 1HB GLU 63 2HB GLU 63 9.222 3.237 -3.691 495 2HB GLU 63 3HB GLU 63 10.348 4.359 -2.929 496 1HG GLU 63 2HG GLU 63 9.972 3.433 -0.739 497 2HG GLU 63 3HG GLU 63 8.656 2.408 -1.309 498 H SER 64 H SER 64 7.559 4.563 -4.979 499 HA SER 64 HA SER 64 8.923 6.777 -6.105 500 1HB SER 64 2HB SER 64 8.323 4.673 -7.318 501 2HB SER 64 3HB SER 64 6.627 5.200 -7.321 502 HG SER 64 HG SER 64 7.594 7.216 -8.301 503 H LEU 65 H LEU 65 5.792 6.740 -4.479 504 HA LEU 65 HA LEU 65 4.983 9.288 -5.697 505 1HB LEU 65 2HB LEU 65 4.051 7.659 -3.327 506 2HB LEU 65 3HB LEU 65 3.615 9.369 -3.491 507 HG LEU 65 HG LEU 65 2.674 8.942 -5.736 508 1HD1 LEU 65 1HD1 LEU 65 2.093 6.668 -6.435 509 2HD1 LEU 65 2HD1 LEU 65 3.846 6.822 -6.343 510 3HD1 LEU 65 3HD1 LEU 65 2.948 6.000 -5.036 511 1HD2 LEU 65 1HD2 LEU 65 0.626 7.802 -4.898 512 2HD2 LEU 65 2HD2 LEU 65 1.531 7.306 -3.450 513 3HD2 LEU 65 3HD2 LEU 65 1.229 9.034 -3.778 514 H GLY 66 H GLY 66 5.568 9.017 -2.172 515 1HA GLY 66 2HA GLY 66 8.164 10.281 -2.368 516 2HA GLY 66 1HA GLY 66 6.924 11.423 -1.810 517 H PHE 67 H PHE 67 7.181 7.888 -1.157 518 HA PHE 67 HA PHE 67 6.865 8.561 1.759 519 1HB PHE 67 2HB PHE 67 5.327 6.561 0.124 520 2HB PHE 67 3HB PHE 67 5.009 7.024 1.794 521 HD1 PHE 67 1HD PHE 67 5.201 10.047 1.587 522 HD2 PHE 67 2HD PHE 67 3.257 7.124 -0.937 523 HE1 PHE 67 1HE PHE 67 3.569 11.738 0.888 524 HE2 PHE 67 2HE PHE 67 1.550 8.815 -1.527 525 HZ PHE 67 HZ PHE 67 1.672 11.103 -0.572 526 H GLU 68 H GLU 68 6.724 6.322 2.988 527 HA GLU 68 HA GLU 68 8.996 4.561 2.171 528 1HB GLU 68 2HB GLU 68 9.743 5.984 4.021 529 2HB GLU 68 3HB GLU 68 8.246 5.695 4.884 530 1HG GLU 68 2HG GLU 68 8.939 3.209 5.012 531 2HG GLU 68 3HG GLU 68 10.521 3.743 4.420 532 H ALA 69 H ALA 69 8.566 2.353 2.618 533 HA ALA 69 HA ALA 69 6.038 1.634 3.933 534 1HB ALA 69 1HB ALA 69 5.638 -0.124 2.219 535 2HB ALA 69 2HB ALA 69 5.353 1.522 1.629 536 3HB ALA 69 3HB ALA 69 6.839 0.666 1.171 537 H SER 70 H SER 70 6.408 0.029 5.326 538 HA SER 70 HA SER 70 8.877 -1.664 5.073 539 1HB SER 70 2HB SER 70 9.247 0.226 6.626 540 2HB SER 70 3HB SER 70 7.837 -0.278 7.576 541 HG SER 70 HG SER 70 9.906 -1.096 8.332 542 H LEU 71 H LEU 71 7.969 -3.608 4.595 543 HA LEU 71 HA LEU 71 5.417 -4.569 5.686 544 1HB LEU 71 2HB LEU 71 5.955 -6.602 4.475 545 2HB LEU 71 3HB LEU 71 5.937 -5.174 3.457 546 HG LEU 71 HG LEU 71 8.646 -5.821 4.510 547 1HD1 LEU 71 1HD1 LEU 71 8.995 -7.734 2.999 548 2HD1 LEU 71 2HD1 LEU 71 7.804 -8.111 4.254 549 3HD1 LEU 71 3HD1 LEU 71 7.263 -7.747 2.601 550 1HD2 LEU 71 1HD2 LEU 71 7.577 -5.432 1.674 551 2HD2 LEU 71 2HD2 LEU 71 8.180 -4.118 2.698 552 3HD2 LEU 71 3HD2 LEU 71 9.278 -5.405 2.178 553 H VAL 72 H VAL 72 6.611 -3.900 7.881 554 HA VAL 72 HA VAL 72 8.256 -5.876 9.121 555 HB VAL 72 HB VAL 72 8.041 -3.568 9.904 556 1HG1 VAL 72 1HG1 VAL 72 5.264 -4.283 10.949 557 2HG1 VAL 72 2HG1 VAL 72 6.140 -2.766 11.179 558 3HG1 VAL 72 3HG1 VAL 72 5.582 -3.215 9.564 559 1HG2 VAL 72 1HG2 VAL 72 8.820 -5.341 11.449 560 2HG2 VAL 72 2HG2 VAL 72 8.001 -4.016 12.295 561 3HG2 VAL 72 3HG2 VAL 72 7.159 -5.555 12.040 562 H LYS 73 H LYS 73 4.796 -5.514 8.733 563 HA LYS 73 HA LYS 73 3.005 -6.610 9.477 564 1HB LYS 73 2HB LYS 73 3.815 -7.789 7.421 565 2HB LYS 73 3HB LYS 73 4.478 -9.062 8.477 566 1HG LYS 73 2HG LYS 73 2.223 -9.321 9.497 567 2HG LYS 73 3HG LYS 73 1.599 -8.060 8.413 568 1HD LYS 73 2HD LYS 73 2.493 -9.791 6.556 569 2HD LYS 73 3HD LYS 73 2.325 -10.940 7.896 570 1HE LYS 73 2HE LYS 73 0.199 -9.207 6.578 571 2HE LYS 73 3HE LYS 73 0.210 -10.961 6.707 572 1HZ LYS 73 1HZ LYS 73 0.014 -9.300 9.161 573 2HZ LYS 73 2HZ LYS 73 -1.282 -9.539 8.220 574 3HZ LYS 73 3HZ LYS 73 -0.427 -10.790 8.995 575 H ILE 74 H ILE 74 3.236 -6.172 11.676 576 HA ILE 74 HA ILE 74 4.157 -8.201 13.517 577 HB ILE 74 HB ILE 74 4.262 -5.915 14.157 578 1HG1 ILE 74 2HG1 ILE 74 3.254 -5.925 16.340 579 2HG1 ILE 74 3HG1 ILE 74 2.129 -7.212 15.902 580 1HG2 ILE 74 1HG2 ILE 74 1.230 -5.676 14.007 581 2HG2 ILE 74 2HG2 ILE 74 2.367 -4.473 14.617 582 3HG2 ILE 74 3HG2 ILE 74 2.391 -4.907 12.910 583 1HD1 ILE 74 1HD1 ILE 74 3.963 -8.804 15.673 584 2HD1 ILE 74 2HD1 ILE 74 5.165 -7.501 15.851 585 3HD1 ILE 74 3HD1 ILE 74 4.133 -7.967 17.223 586 H GLU 75 H GLU 75 3.086 -9.869 12.287 587 HA GLU 75 HA GLU 75 1.711 -11.661 12.410 588 1HB GLU 75 2HB GLU 75 0.823 -10.785 14.673 589 2HB GLU 75 3HB GLU 75 -0.529 -10.114 13.739 590 1HG GLU 75 2HG GLU 75 -1.079 -12.373 12.918 591 2HG GLU 75 3HG GLU 75 0.327 -13.045 13.762 Start of MODEL 22 1 1H MET 1 H1 MET 1 -8.109 -19.972 -5.012 2 2H MET 1 H2 MET 1 -8.592 -20.627 -6.469 3 3H MET 1 H3 MET 1 -7.030 -20.069 -6.227 4 HA MET 1 HA MET 1 -8.531 -18.599 -7.550 5 1HB MET 1 2HB MET 1 -9.263 -17.903 -4.663 6 2HB MET 1 3HB MET 1 -9.676 -16.945 -6.092 7 1HG MET 1 2HG MET 1 -10.953 -18.907 -6.992 8 2HG MET 1 3HG MET 1 -10.720 -19.726 -5.441 9 1HE MET 1 1HE MET 1 -12.805 -17.419 -3.030 10 2HE MET 1 2HE MET 1 -11.732 -18.832 -3.140 11 3HE MET 1 3HE MET 1 -11.081 -17.188 -3.379 12 H GLY 2 H GLY 2 -7.910 -16.018 -6.878 13 1HA GLY 2 2HA GLY 2 -5.020 -16.094 -6.086 14 2HA GLY 2 1HA GLY 2 -5.696 -15.129 -7.405 15 H ASP 3 H ASP 3 -4.881 -15.065 -4.117 16 HA ASP 3 HA ASP 3 -5.912 -12.437 -3.759 17 1HB ASP 3 2HB ASP 3 -7.946 -13.848 -3.142 18 2HB ASP 3 3HB ASP 3 -6.974 -14.596 -1.863 19 H GLY 4 H GLY 4 -5.137 -11.672 -1.593 20 1HA GLY 4 2HA GLY 4 -3.200 -12.957 0.014 21 2HA GLY 4 1HA GLY 4 -2.357 -12.104 -1.306 22 H VAL 5 H VAL 5 -2.300 -11.371 1.514 23 HA VAL 5 HA VAL 5 -3.717 -8.739 1.528 24 HB VAL 5 HB VAL 5 -4.778 -10.140 3.082 25 1HG1 VAL 5 1HG1 VAL 5 -3.724 -11.241 4.972 26 2HG1 VAL 5 2HG1 VAL 5 -3.144 -11.927 3.452 27 3HG1 VAL 5 3HG1 VAL 5 -2.112 -10.819 4.383 28 1HG2 VAL 5 1HG2 VAL 5 -4.248 -7.784 3.734 29 2HG2 VAL 5 2HG2 VAL 5 -4.518 -8.886 5.104 30 3HG2 VAL 5 3HG2 VAL 5 -2.874 -8.390 4.682 31 H LEU 6 H LEU 6 -2.114 -7.506 0.633 32 HA LEU 6 HA LEU 6 0.589 -7.643 1.776 33 1HB LEU 6 2HB LEU 6 -0.167 -7.157 -0.755 34 2HB LEU 6 3HB LEU 6 -0.236 -5.511 -0.185 35 HG LEU 6 HG LEU 6 1.889 -6.037 -1.203 36 1HD1 LEU 6 1HD1 LEU 6 3.449 -5.343 0.512 37 2HD1 LEU 6 2HD1 LEU 6 1.925 -4.444 0.653 38 3HD1 LEU 6 3HD1 LEU 6 2.290 -5.760 1.794 39 1HD2 LEU 6 1HD2 LEU 6 2.495 -8.142 0.903 40 2HD2 LEU 6 2HD2 LEU 6 1.821 -8.513 -0.699 41 3HD2 LEU 6 3HD2 LEU 6 3.387 -7.725 -0.557 42 H GLU 7 H GLU 7 -0.180 -7.275 3.871 43 HA GLU 7 HA GLU 7 -0.872 -4.448 4.488 44 1HB GLU 7 2HB GLU 7 -2.447 -6.024 5.338 45 2HB GLU 7 3HB GLU 7 -1.188 -6.888 6.229 46 1HG GLU 7 2HG GLU 7 -1.523 -3.895 6.673 47 2HG GLU 7 3HG GLU 7 -2.679 -5.022 7.424 48 H LEU 8 H LEU 8 0.667 -3.139 4.927 49 HA LEU 8 HA LEU 8 3.009 -4.011 6.490 50 1HB LEU 8 2HB LEU 8 4.470 -2.686 4.830 51 2HB LEU 8 3HB LEU 8 3.961 -4.317 4.412 52 HG LEU 8 HG LEU 8 2.262 -3.461 2.868 53 1HD1 LEU 8 1HD1 LEU 8 2.396 -1.039 2.194 54 2HD1 LEU 8 2HD1 LEU 8 1.700 -1.286 3.795 55 3HD1 LEU 8 3HD1 LEU 8 3.390 -0.748 3.636 56 1HD2 LEU 8 1HD2 LEU 8 5.051 -2.297 2.444 57 2HD2 LEU 8 2HD2 LEU 8 4.572 -3.971 2.110 58 3HD2 LEU 8 3HD2 LEU 8 3.859 -2.647 1.176 59 H VAL 9 H VAL 9 4.337 -2.109 7.124 60 HA VAL 9 HA VAL 9 2.623 0.005 8.159 61 HB VAL 9 HB VAL 9 5.148 -1.195 8.874 62 1HG1 VAL 9 1HG1 VAL 9 6.338 0.635 7.741 63 2HG1 VAL 9 2HG1 VAL 9 5.384 1.822 8.665 64 3HG1 VAL 9 3HG1 VAL 9 6.496 0.720 9.494 65 1HG2 VAL 9 1HG2 VAL 9 3.213 -0.686 10.384 66 2HG2 VAL 9 2HG2 VAL 9 4.775 -0.107 11.002 67 3HG2 VAL 9 3HG2 VAL 9 3.647 1.038 10.291 68 H VAL 10 H VAL 10 2.761 2.237 7.385 69 HA VAL 10 HA VAL 10 4.555 2.841 5.167 70 HB VAL 10 HB VAL 10 1.548 3.289 5.229 71 1HG1 VAL 10 1HG1 VAL 10 3.668 4.099 3.198 72 2HG1 VAL 10 2HG1 VAL 10 1.912 4.377 3.047 73 3HG1 VAL 10 3HG1 VAL 10 2.842 5.201 4.313 74 1HG2 VAL 10 1HG2 VAL 10 1.662 1.994 3.058 75 2HG2 VAL 10 2HG2 VAL 10 3.336 1.591 3.448 76 3HG2 VAL 10 3HG2 VAL 10 2.014 1.032 4.504 77 H ARG 11 H ARG 11 5.453 4.828 5.469 78 HA ARG 11 HA ARG 11 4.467 6.603 7.670 79 1HB ARG 11 2HB ARG 11 7.259 5.551 7.159 80 2HB ARG 11 3HB ARG 11 6.920 6.876 8.266 81 1HG ARG 11 2HG ARG 11 5.934 5.467 9.859 82 2HG ARG 11 3HG ARG 11 5.573 4.186 8.680 83 1HD ARG 11 2HD ARG 11 7.905 3.689 8.349 84 2HD ARG 11 3HD ARG 11 8.412 5.042 9.384 85 HE ARG 11 HE ARG 11 6.792 3.389 10.962 86 1HH1 ARG 11 2HH2 ARG 11 9.879 3.181 9.188 87 2HH1 ARG 11 1HH2 ARG 11 10.554 1.957 10.201 88 1HH2 ARG 11 2HH1 ARG 11 7.722 1.800 12.379 89 2HH2 ARG 11 1HH1 ARG 11 9.321 1.193 12.085 90 H GLY 12 H GLY 12 5.225 8.796 7.413 91 1HA GLY 12 2HA GLY 12 6.251 10.558 6.273 92 2HA GLY 12 1HA GLY 12 6.530 9.544 4.857 93 H MET 13 H MET 13 3.577 8.620 5.027 94 HA MET 13 HA MET 13 2.538 10.686 3.327 95 1HB MET 13 2HB MET 13 0.803 9.260 2.802 96 2HB MET 13 3HB MET 13 2.215 8.248 3.050 97 1HG MET 13 2HG MET 13 -0.234 8.522 4.829 98 2HG MET 13 3HG MET 13 0.246 7.210 3.785 99 1HE MET 13 1HE MET 13 0.340 5.170 4.940 100 2HE MET 13 2HE MET 13 0.506 5.076 6.708 101 3HE MET 13 3HE MET 13 -0.734 6.116 5.960 102 H THR 14 H THR 14 2.813 12.402 4.718 103 HA THR 14 HA THR 14 1.956 12.424 7.323 104 HB THR 14 HB THR 14 3.787 13.765 6.393 105 HG1 THR 14 1HG THR 14 1.776 14.964 7.951 106 1HG2 THR 14 1HG2 THR 14 2.689 14.676 4.364 107 2HG2 THR 14 2HG2 THR 14 1.608 15.655 5.378 108 3HG2 THR 14 3HG2 THR 14 3.354 15.958 5.389 109 H CYS 15 H CYS 15 -0.292 12.987 4.728 110 HA CYS 15 HA CYS 15 -2.285 13.737 6.702 111 1HB CYS 15 2HB CYS 15 -2.909 15.860 5.781 112 2HB CYS 15 3HB CYS 15 -1.192 15.929 6.141 113 H ALA 16 H ALA 16 -4.406 14.178 5.520 114 HA ALA 16 HA ALA 16 -5.333 11.947 4.200 115 1HB ALA 16 1HB ALA 16 -6.342 14.809 3.941 116 2HB ALA 16 2HB ALA 16 -7.256 13.341 3.534 117 3HB ALA 16 3HB ALA 16 -6.777 13.649 5.216 118 H SER 17 H SER 17 -4.063 14.971 2.705 119 HA SER 17 HA SER 17 -4.582 14.351 0.028 120 1HB SER 17 2HB SER 17 -2.237 15.951 1.092 121 2HB SER 17 3HB SER 17 -3.022 16.082 -0.490 122 HG SER 17 HG SER 17 -4.972 16.640 0.665 123 H CYS 18 H CYS 18 -1.903 13.265 2.163 124 HA CYS 18 HA CYS 18 -0.430 12.022 -0.049 125 1HB CYS 18 2HB CYS 18 -0.175 11.588 2.938 126 2HB CYS 18 3HB CYS 18 0.904 11.045 1.651 127 H VAL 19 H VAL 19 -2.550 11.007 2.662 128 HA VAL 19 HA VAL 19 -2.448 8.246 2.221 129 HB VAL 19 HB VAL 19 -4.733 9.931 3.303 130 1HG1 VAL 19 1HG1 VAL 19 -5.520 7.868 4.413 131 2HG1 VAL 19 2HG1 VAL 19 -5.616 7.703 2.657 132 3HG1 VAL 19 3HG1 VAL 19 -4.283 6.937 3.552 133 1HG2 VAL 19 1HG2 VAL 19 -3.848 9.282 5.491 134 2HG2 VAL 19 2HG2 VAL 19 -2.611 8.262 4.733 135 3HG2 VAL 19 3HG2 VAL 19 -2.532 10.022 4.568 136 H HIS 20 H HIS 20 -4.982 10.485 0.865 137 HA HIS 20 HA HIS 20 -6.060 8.281 -0.651 138 1HB HIS 20 2HB HIS 20 -7.740 9.556 -1.374 139 2HB HIS 20 3HB HIS 20 -7.362 10.297 0.179 140 HD1 HIS 20 1HD HIS 20 -8.701 11.559 -2.686 141 HD2 HIS 20 2HD HIS 20 -5.022 12.265 -0.807 142 HE1 HIS 20 1HE HIS 20 -7.927 13.870 -3.454 143 H LYS 21 H LYS 21 -3.534 10.636 -1.350 144 HA LYS 21 HA LYS 21 -3.377 10.242 -4.186 145 1HB LYS 21 2HB LYS 21 -2.172 12.043 -3.203 146 2HB LYS 21 3HB LYS 21 -1.366 10.978 -2.054 147 1HG LYS 21 2HG LYS 21 -0.135 9.909 -3.962 148 2HG LYS 21 3HG LYS 21 -0.819 11.153 -5.032 149 1HD LYS 21 2HD LYS 21 0.238 12.926 -3.661 150 2HD LYS 21 3HD LYS 21 0.730 11.720 -2.465 151 1HE LYS 21 2HE LYS 21 2.074 10.596 -4.361 152 2HE LYS 21 3HE LYS 21 1.838 12.078 -5.286 153 1HZ LYS 21 1HZ LYS 21 3.931 11.873 -3.982 154 2HZ LYS 21 2HZ LYS 21 3.077 13.247 -3.616 155 3HZ LYS 21 3HZ LYS 21 3.086 11.943 -2.603 156 H ILE 22 H ILE 22 -1.899 8.493 -1.369 157 HA ILE 22 HA ILE 22 -0.753 6.399 -2.961 158 HB ILE 22 HB ILE 22 -1.812 6.188 -0.116 159 1HG1 ILE 22 2HG1 ILE 22 1.017 6.584 -1.176 160 2HG1 ILE 22 3HG1 ILE 22 0.019 7.842 -0.431 161 1HG2 ILE 22 1HG2 ILE 22 -0.380 4.135 -0.048 162 2HG2 ILE 22 2HG2 ILE 22 -1.661 3.970 -1.228 163 3HG2 ILE 22 3HG2 ILE 22 -0.017 4.362 -1.769 164 1HD1 ILE 22 1HD1 ILE 22 1.119 5.370 0.947 165 2HD1 ILE 22 2HD1 ILE 22 1.464 7.063 1.276 166 3HD1 ILE 22 3HD1 ILE 22 -0.143 6.416 1.641 167 H GLU 23 H GLU 23 -3.833 6.357 -1.119 168 HA GLU 23 HA GLU 23 -4.703 3.885 -1.866 169 1HB GLU 23 2HB GLU 23 -5.719 5.561 -0.222 170 2HB GLU 23 3HB GLU 23 -6.618 6.239 -1.576 171 1HG GLU 23 2HG GLU 23 -6.736 3.309 -0.745 172 2HG GLU 23 3HG GLU 23 -7.822 4.557 -0.123 173 H SER 24 H SER 24 -5.643 6.892 -3.561 174 HA SER 24 HA SER 24 -7.142 5.716 -5.594 175 1HB SER 24 2HB SER 24 -7.109 8.126 -5.010 176 2HB SER 24 3HB SER 24 -5.496 8.284 -5.729 177 HG SER 24 HG SER 24 -7.867 7.448 -7.072 178 H SER 25 H SER 25 -3.616 6.525 -5.573 179 HA SER 25 HA SER 25 -3.165 5.809 -8.319 180 1HB SER 25 2HB SER 25 -1.662 7.242 -6.947 181 2HB SER 25 3HB SER 25 -1.238 5.813 -5.981 182 HG SER 25 HG SER 25 0.260 6.151 -7.709 183 H LEU 26 H LEU 26 -3.016 4.070 -5.202 184 HA LEU 26 HA LEU 26 -2.007 1.658 -6.204 185 1HB LEU 26 2HB LEU 26 -2.703 2.741 -3.699 186 2HB LEU 26 3HB LEU 26 -3.831 1.426 -3.888 187 HG LEU 26 HG LEU 26 -1.836 0.825 -2.709 188 1HD1 LEU 26 1HD1 LEU 26 -2.930 -0.920 -4.072 189 2HD1 LEU 26 2HD1 LEU 26 -1.898 -0.509 -5.462 190 3HD1 LEU 26 3HD1 LEU 26 -1.173 -1.182 -3.996 191 1HD2 LEU 26 1HD2 LEU 26 -0.152 1.317 -5.200 192 2HD2 LEU 26 2HD2 LEU 26 -0.268 2.428 -3.819 193 3HD2 LEU 26 3HD2 LEU 26 0.381 0.784 -3.614 194 H THR 27 H THR 27 -5.455 2.674 -5.655 195 HA THR 27 HA THR 27 -6.574 0.266 -6.650 196 HB THR 27 HB THR 27 -8.585 1.521 -7.191 197 HG1 THR 27 1HG THR 27 -6.966 3.774 -6.711 198 1HG2 THR 27 1HG2 THR 27 -9.111 2.343 -4.934 199 2HG2 THR 27 2HG2 THR 27 -8.233 0.804 -4.860 200 3HG2 THR 27 3HG2 THR 27 -7.401 2.330 -4.501 201 H LYS 28 H LYS 28 -5.514 3.175 -8.350 202 HA LYS 28 HA LYS 28 -6.165 2.417 -10.980 203 1HB LYS 28 2HB LYS 28 -5.705 4.629 -10.802 204 2HB LYS 28 3HB LYS 28 -4.444 4.400 -9.621 205 1HG LYS 28 2HG LYS 28 -3.397 5.339 -11.439 206 2HG LYS 28 3HG LYS 28 -2.883 3.665 -11.334 207 1HD LYS 28 2HD LYS 28 -4.977 3.369 -13.092 208 2HD LYS 28 3HD LYS 28 -4.715 5.086 -13.326 209 1HE LYS 28 2HE LYS 28 -3.534 3.729 -15.012 210 2HE LYS 28 3HE LYS 28 -2.390 4.687 -14.060 211 1HZ LYS 28 1HZ LYS 28 -1.862 2.241 -14.464 212 2HZ LYS 28 2HZ LYS 28 -1.714 2.788 -12.920 213 3HZ LYS 28 3HZ LYS 28 -3.031 1.915 -13.328 214 H HIS 29 H HIS 29 -3.879 0.733 -8.977 215 HA HIS 29 HA HIS 29 -2.175 -0.328 -11.032 216 1HB HIS 29 2HB HIS 29 -3.374 -1.573 -8.524 217 2HB HIS 29 3HB HIS 29 -2.282 -2.417 -9.605 218 HD1 HIS 29 1HD HIS 29 -0.619 -2.704 -7.550 219 HD2 HIS 29 2HD HIS 29 -1.160 1.178 -9.081 220 HE1 HIS 29 1HE HIS 29 1.391 -1.332 -6.797 221 H ARG 30 H ARG 30 -5.574 -0.858 -10.205 222 HA ARG 30 HA ARG 30 -7.244 -2.025 -11.091 223 1HB ARG 30 2HB ARG 30 -5.442 -2.818 -13.425 224 2HB ARG 30 3HB ARG 30 -7.153 -3.179 -13.233 225 1HG ARG 30 2HG ARG 30 -7.687 -0.765 -13.153 226 2HG ARG 30 3HG ARG 30 -5.971 -0.374 -13.410 227 1HD ARG 30 2HD ARG 30 -5.982 -1.533 -15.562 228 2HD ARG 30 3HD ARG 30 -7.645 -2.109 -15.280 229 HE ARG 30 HE ARG 30 -7.662 0.713 -15.123 230 1HH1 ARG 30 2HH2 ARG 30 -7.193 -1.838 -17.503 231 2HH1 ARG 30 1HH2 ARG 30 -7.850 -0.955 -18.845 232 1HH2 ARG 30 2HH1 ARG 30 -8.565 1.939 -16.884 233 2HH2 ARG 30 1HH1 ARG 30 -8.638 1.259 -18.474 234 H GLY 31 H GLY 31 -4.151 -3.829 -11.401 235 1HA GLY 31 2HA GLY 31 -5.303 -6.371 -10.654 236 2HA GLY 31 1HA GLY 31 -3.584 -5.935 -10.746 237 H ILE 32 H ILE 32 -6.358 -4.893 -8.685 238 HA ILE 32 HA ILE 32 -5.050 -5.960 -6.310 239 HB ILE 32 HB ILE 32 -5.501 -3.894 -5.001 240 1HG1 ILE 32 2HG1 ILE 32 -5.511 -1.718 -6.179 241 2HG1 ILE 32 3HG1 ILE 32 -5.887 -2.524 -7.703 242 1HG2 ILE 32 1HG2 ILE 32 -3.244 -4.497 -5.757 243 2HG2 ILE 32 2HG2 ILE 32 -3.469 -3.519 -7.221 244 3HG2 ILE 32 3HG2 ILE 32 -3.464 -2.747 -5.628 245 1HD1 ILE 32 1HD1 ILE 32 -7.864 -1.509 -6.447 246 2HD1 ILE 32 2HD1 ILE 32 -8.074 -3.201 -6.835 247 3HD1 ILE 32 3HD1 ILE 32 -7.614 -2.718 -5.181 248 H LEU 33 H LEU 33 -6.689 -5.777 -4.475 249 HA LEU 33 HA LEU 33 -9.439 -6.337 -5.543 250 1HB LEU 33 2HB LEU 33 -8.039 -7.529 -3.138 251 2HB LEU 33 3HB LEU 33 -9.635 -7.971 -3.751 252 HG LEU 33 HG LEU 33 -7.015 -8.324 -5.295 253 1HD1 LEU 33 1HD1 LEU 33 -6.996 -9.713 -3.325 254 2HD1 LEU 33 2HD1 LEU 33 -8.615 -10.354 -3.702 255 3HD1 LEU 33 3HD1 LEU 33 -7.237 -10.712 -4.767 256 1HD2 LEU 33 1HD2 LEU 33 -8.368 -9.842 -6.724 257 2HD2 LEU 33 2HD2 LEU 33 -9.827 -9.398 -5.815 258 3HD2 LEU 33 3HD2 LEU 33 -8.976 -8.186 -6.798 259 H TYR 34 H TYR 34 -7.504 -4.941 -2.822 260 HA TYR 34 HA TYR 34 -9.541 -2.912 -2.496 261 1HB TYR 34 2HB TYR 34 -10.419 -4.835 -1.085 262 2HB TYR 34 3HB TYR 34 -8.897 -4.802 -0.188 263 HD1 TYR 34 HD1 TYR 34 -11.421 -2.218 -1.297 264 HD2 TYR 34 HD2 TYR 34 -9.200 -3.972 1.956 265 HE1 TYR 34 HE1 TYR 34 -12.447 -0.601 0.282 266 HE2 TYR 34 HE2 TYR 34 -10.328 -2.454 3.545 267 HH TYR 34 HH TYR 34 -11.871 -0.752 3.804 268 H CYS 35 H CYS 35 -8.711 -1.135 -1.133 269 HA CYS 35 HA CYS 35 -5.819 -1.224 -0.341 270 1HB CYS 35 2HB CYS 35 -7.299 0.968 -1.829 271 2HB CYS 35 3HB CYS 35 -5.635 1.043 -1.230 272 HG CYS 35 HG CYS 35 -5.825 0.808 -3.860 273 H SER 36 H SER 36 -5.736 -0.667 1.789 274 HA SER 36 HA SER 36 -7.578 1.461 2.735 275 1HB SER 36 2HB SER 36 -8.110 0.212 4.782 276 2HB SER 36 3HB SER 36 -8.752 -0.530 3.314 277 HG SER 36 HG SER 36 -6.776 -1.876 3.362 278 H VAL 37 H VAL 37 -6.049 2.944 2.934 279 HA VAL 37 HA VAL 37 -3.548 2.327 4.398 280 HB VAL 37 HB VAL 37 -3.124 2.590 2.058 281 1HG1 VAL 37 1HG1 VAL 37 -5.077 3.731 1.245 282 2HG1 VAL 37 2HG1 VAL 37 -4.687 5.185 2.188 283 3HG1 VAL 37 3HG1 VAL 37 -3.649 4.689 0.839 284 1HG2 VAL 37 1HG2 VAL 37 -1.567 4.369 2.013 285 2HG2 VAL 37 2HG2 VAL 37 -2.354 5.212 3.369 286 3HG2 VAL 37 3HG2 VAL 37 -1.530 3.655 3.630 287 H ALA 38 H ALA 38 -2.835 3.709 5.958 288 HA ALA 38 HA ALA 38 -4.494 6.055 6.677 289 1HB ALA 38 1HB ALA 38 -5.764 4.171 7.659 290 2HB ALA 38 2HB ALA 38 -4.269 3.571 8.432 291 3HB ALA 38 3HB ALA 38 -4.950 5.129 8.924 292 H LEU 39 H LEU 39 -3.069 7.560 7.348 293 HA LEU 39 HA LEU 39 -0.436 6.947 8.367 294 1HB LEU 39 2HB LEU 39 -0.192 9.265 8.761 295 2HB LEU 39 3HB LEU 39 -1.027 9.032 7.232 296 HG LEU 39 HG LEU 39 -3.222 9.417 8.715 297 1HD1 LEU 39 1HD1 LEU 39 -2.826 11.106 10.480 298 2HD1 LEU 39 2HD1 LEU 39 -1.986 9.623 10.930 299 3HD1 LEU 39 3HD1 LEU 39 -1.075 10.975 10.249 300 1HD2 LEU 39 1HD2 LEU 39 -1.320 11.641 7.892 301 2HD2 LEU 39 2HD2 LEU 39 -2.478 10.828 6.825 302 3HD2 LEU 39 3HD2 LEU 39 -3.066 11.818 8.170 303 H ALA 40 H ALA 40 -3.656 7.318 9.728 304 HA ALA 40 HA ALA 40 -3.049 7.822 12.413 305 1HB ALA 40 1HB ALA 40 -5.293 6.927 12.883 306 2HB ALA 40 2HB ALA 40 -5.312 7.968 11.447 307 3HB ALA 40 3HB ALA 40 -5.362 6.199 11.264 308 H THR 41 H THR 41 -2.958 4.773 10.628 309 HA THR 41 HA THR 41 -1.863 3.410 13.049 310 HB THR 41 HB THR 41 -3.492 2.155 10.787 311 HG1 THR 41 1HG THR 41 -4.644 3.621 12.213 312 1HG2 THR 41 1HG2 THR 41 -2.576 1.027 13.465 313 2HG2 THR 41 2HG2 THR 41 -3.814 0.281 12.437 314 3HG2 THR 41 3HG2 THR 41 -2.160 0.407 11.849 315 H ASN 42 H ASN 42 -0.664 5.064 10.895 316 HA ASN 42 HA ASN 42 0.607 4.884 9.000 317 1HB ASN 42 2HB ASN 42 2.142 3.991 11.469 318 2HB ASN 42 3HB ASN 42 3.001 4.154 9.931 319 1HD2 ASN 42 1HD2 ASN 42 2.236 6.153 8.618 320 2HD2 ASN 42 2HD2 ASN 42 1.907 7.625 9.545 321 H LYS 43 H LYS 43 -0.854 3.207 7.999 322 HA LYS 43 HA LYS 43 0.877 0.955 7.206 323 1HB LYS 43 2HB LYS 43 -0.729 -0.764 7.785 324 2HB LYS 43 3HB LYS 43 -0.280 0.135 9.212 325 1HG LYS 43 2HG LYS 43 -2.548 -0.167 9.451 326 2HG LYS 43 3HG LYS 43 -2.448 1.504 8.872 327 1HD LYS 43 2HD LYS 43 -3.250 0.887 6.690 328 2HD LYS 43 3HD LYS 43 -2.900 -0.837 6.981 329 1HE LYS 43 2HE LYS 43 -4.746 -0.727 8.776 330 2HE LYS 43 3HE LYS 43 -5.120 0.888 8.153 331 1HZ LYS 43 1HZ LYS 43 -5.268 -1.663 6.683 332 2HZ LYS 43 2HZ LYS 43 -6.519 -0.684 7.074 333 3HZ LYS 43 3HZ LYS 43 -5.419 -0.216 5.941 334 H ALA 44 H ALA 44 -0.020 -0.353 5.565 335 HA ALA 44 HA ALA 44 -2.431 0.606 4.253 336 1HB ALA 44 1HB ALA 44 -1.636 0.622 2.038 337 2HB ALA 44 2HB ALA 44 -0.583 1.709 2.938 338 3HB ALA 44 3HB ALA 44 -0.007 0.078 2.511 339 H HIS 45 H HIS 45 -3.704 -0.994 3.985 340 HA HIS 45 HA HIS 45 -2.735 -3.838 3.737 341 1HB HIS 45 2HB HIS 45 -3.930 -3.410 5.822 342 2HB HIS 45 3HB HIS 45 -5.251 -2.677 4.926 343 HD1 HIS 45 1HD HIS 45 -4.771 -5.669 6.685 344 HD2 HIS 45 2HD HIS 45 -6.249 -4.626 2.890 345 HE1 HIS 45 1HE HIS 45 -6.454 -7.469 6.032 346 H ILE 46 H ILE 46 -2.446 -3.973 1.650 347 HA ILE 46 HA ILE 46 -4.666 -3.193 -0.157 348 HB ILE 46 HB ILE 46 -1.751 -3.836 -0.722 349 1HG1 ILE 46 2HG1 ILE 46 -1.699 -1.676 -1.831 350 2HG1 ILE 46 3HG1 ILE 46 -3.389 -1.351 -1.418 351 1HG2 ILE 46 1HG2 ILE 46 -3.172 -4.900 -2.450 352 2HG2 ILE 46 2HG2 ILE 46 -4.038 -3.373 -2.690 353 3HG2 ILE 46 3HG2 ILE 46 -2.321 -3.512 -3.117 354 1HD1 ILE 46 1HD1 ILE 46 -1.600 -0.194 -0.066 355 2HD1 ILE 46 2HD1 ILE 46 -2.816 -1.058 0.889 356 3HD1 ILE 46 3HD1 ILE 46 -1.191 -1.769 0.650 357 H LYS 47 H LYS 47 -5.973 -4.896 -0.612 358 HA LYS 47 HA LYS 47 -5.009 -7.691 -0.238 359 1HB LYS 47 2HB LYS 47 -7.682 -6.486 -0.915 360 2HB LYS 47 3HB LYS 47 -7.357 -8.220 -1.038 361 1HG LYS 47 2HG LYS 47 -6.958 -6.628 1.508 362 2HG LYS 47 3HG LYS 47 -8.520 -7.329 1.126 363 1HD LYS 47 2HD LYS 47 -6.043 -9.096 1.173 364 2HD LYS 47 3HD LYS 47 -6.811 -8.590 2.673 365 1HE LYS 47 2HE LYS 47 -7.569 -10.802 1.995 366 2HE LYS 47 3HE LYS 47 -8.919 -9.660 2.061 367 1HZ LYS 47 1HZ LYS 47 -8.768 -11.213 0.057 368 2HZ LYS 47 2HZ LYS 47 -8.937 -9.605 -0.324 369 3HZ LYS 47 3HZ LYS 47 -7.509 -10.420 -0.435 370 H TYR 48 H TYR 48 -4.326 -8.824 -2.060 371 HA TYR 48 HA TYR 48 -4.443 -7.461 -4.719 372 1HB TYR 48 2HB TYR 48 -2.150 -7.489 -5.009 373 2HB TYR 48 3HB TYR 48 -2.399 -6.717 -3.456 374 HD1 TYR 48 HD1 TYR 48 -0.366 -8.962 -5.154 375 HD2 TYR 48 HD2 TYR 48 -2.296 -8.450 -1.349 376 HE1 TYR 48 HE1 TYR 48 1.346 -10.393 -4.096 377 HE2 TYR 48 HE2 TYR 48 -0.669 -10.030 -0.325 378 HH TYR 48 HH TYR 48 1.907 -11.598 -2.215 379 H ASP 49 H ASP 49 -4.123 -8.901 -6.475 380 HA ASP 49 HA ASP 49 -4.272 -11.789 -5.909 381 1HB ASP 49 2HB ASP 49 -5.542 -11.239 -7.794 382 2HB ASP 49 3HB ASP 49 -4.303 -10.161 -8.450 383 HA PRO 50 HA PRO 50 0.175 -11.486 -5.711 384 1HB PRO 50 2HB PRO 50 0.864 -14.039 -5.118 385 2HB PRO 50 3HB PRO 50 -0.129 -13.048 -4.010 386 1HG PRO 50 2HG PRO 50 -1.118 -15.058 -6.056 387 2HG PRO 50 3HG PRO 50 -1.536 -14.969 -4.314 388 1HD PRO 50 2HD PRO 50 -3.118 -13.845 -6.242 389 2HD PRO 50 3HD PRO 50 -2.882 -13.065 -4.646 390 H GLU 51 H GLU 51 -1.309 -12.702 -8.515 391 HA GLU 51 HA GLU 51 1.258 -13.615 -9.690 392 1HB GLU 51 2HB GLU 51 -0.814 -14.980 -9.996 393 2HB GLU 51 3HB GLU 51 -1.574 -13.617 -10.830 394 1HG GLU 51 2HG GLU 51 0.179 -13.672 -12.548 395 2HG GLU 51 3HG GLU 51 1.028 -14.960 -11.671 396 H ILE 52 H ILE 52 -1.450 -11.286 -10.080 397 HA ILE 52 HA ILE 52 -0.144 -9.910 -12.227 398 HB ILE 52 HB ILE 52 -2.597 -10.048 -11.799 399 1HG1 ILE 52 2HG1 ILE 52 -1.663 -7.170 -12.144 400 2HG1 ILE 52 3HG1 ILE 52 -1.435 -8.408 -13.387 401 1HG2 ILE 52 1HG2 ILE 52 -2.416 -9.397 -9.349 402 2HG2 ILE 52 2HG2 ILE 52 -2.202 -7.730 -9.874 403 3HG2 ILE 52 3HG2 ILE 52 -3.705 -8.592 -10.254 404 1HD1 ILE 52 1HD1 ILE 52 -3.838 -8.774 -13.562 405 2HD1 ILE 52 2HD1 ILE 52 -4.153 -7.593 -12.278 406 3HD1 ILE 52 3HD1 ILE 52 -3.448 -7.057 -13.808 407 H ILE 53 H ILE 53 0.100 -9.444 -8.694 408 HA ILE 53 HA ILE 53 1.872 -7.143 -9.039 409 HB ILE 53 HB ILE 53 -0.841 -7.326 -7.690 410 1HG1 ILE 53 2HG1 ILE 53 -0.594 -6.011 -9.805 411 2HG1 ILE 53 3HG1 ILE 53 -1.199 -5.092 -8.424 412 1HG2 ILE 53 1HG2 ILE 53 -0.297 -5.412 -6.222 413 2HG2 ILE 53 2HG2 ILE 53 0.449 -6.947 -5.767 414 3HG2 ILE 53 3HG2 ILE 53 1.431 -5.703 -6.557 415 1HD1 ILE 53 1HD1 ILE 53 0.985 -4.072 -8.063 416 2HD1 ILE 53 2HD1 ILE 53 1.648 -4.969 -9.452 417 3HD1 ILE 53 3HD1 ILE 53 0.370 -3.769 -9.694 418 H GLY 54 H GLY 54 3.449 -7.204 -7.485 419 1HA GLY 54 2HA GLY 54 3.312 -9.301 -5.340 420 2HA GLY 54 1HA GLY 54 4.770 -8.825 -6.235 421 HA PRO 55 HA PRO 55 4.371 -6.244 -2.254 422 1HB PRO 55 2HB PRO 55 6.988 -6.833 -1.443 423 2HB PRO 55 3HB PRO 55 5.541 -7.687 -0.878 424 1HG PRO 55 2HG PRO 55 7.428 -8.514 -3.078 425 2HG PRO 55 3HG PRO 55 6.704 -9.527 -1.799 426 1HD PRO 55 2HD PRO 55 5.703 -9.520 -4.295 427 2HD PRO 55 3HD PRO 55 4.592 -9.545 -2.899 428 H ARG 56 H ARG 56 7.079 -6.897 -4.466 429 HA ARG 56 HA ARG 56 8.500 -4.502 -4.488 430 1HB ARG 56 2HB ARG 56 7.864 -6.629 -6.543 431 2HB ARG 56 3HB ARG 56 8.587 -5.130 -7.094 432 1HG ARG 56 2HG ARG 56 10.262 -6.830 -6.732 433 2HG ARG 56 3HG ARG 56 10.552 -5.407 -5.737 434 1HD ARG 56 2HD ARG 56 9.179 -7.909 -4.676 435 2HD ARG 56 3HD ARG 56 10.943 -7.704 -4.696 436 HE ARG 56 HE ARG 56 9.953 -5.394 -3.496 437 1HH1 ARG 56 2HH2 ARG 56 10.130 -8.833 -2.791 438 2HH1 ARG 56 1HH2 ARG 56 10.138 -8.655 -1.063 439 1HH2 ARG 56 2HH1 ARG 56 9.958 -5.092 -1.219 440 2HH2 ARG 56 1HH1 ARG 56 10.053 -6.451 -0.147 441 H ASP 57 H ASP 57 5.711 -5.215 -6.712 442 HA ASP 57 HA ASP 57 5.727 -2.756 -7.961 443 1HB ASP 57 2HB ASP 57 3.221 -4.342 -7.276 444 2HB ASP 57 3HB ASP 57 3.497 -3.301 -8.684 445 H ILE 58 H ILE 58 3.762 -3.734 -5.153 446 HA ILE 58 HA ILE 58 2.424 -1.244 -4.777 447 HB ILE 58 HB ILE 58 3.018 -3.570 -2.927 448 1HG1 ILE 58 2HG1 ILE 58 0.386 -2.717 -4.195 449 2HG1 ILE 58 3HG1 ILE 58 1.519 -3.748 -5.064 450 1HG2 ILE 58 1HG2 ILE 58 2.636 -1.578 -1.506 451 2HG2 ILE 58 2HG2 ILE 58 1.178 -1.178 -2.438 452 3HG2 ILE 58 3HG2 ILE 58 1.236 -2.634 -1.431 453 1HD1 ILE 58 1HD1 ILE 58 0.379 -4.437 -2.346 454 2HD1 ILE 58 2HD1 ILE 58 -0.181 -5.070 -3.903 455 3HD1 ILE 58 3HD1 ILE 58 1.474 -5.420 -3.358 456 H ILE 59 H ILE 59 5.354 -2.562 -3.112 457 HA ILE 59 HA ILE 59 5.819 -0.306 -1.473 458 HB ILE 59 HB ILE 59 7.595 -2.451 -2.670 459 1HG1 ILE 59 2HG1 ILE 59 6.743 -2.002 0.230 460 2HG1 ILE 59 3HG1 ILE 59 5.729 -2.904 -0.899 461 1HG2 ILE 59 1HG2 ILE 59 8.359 -0.282 -0.681 462 2HG2 ILE 59 2HG2 ILE 59 9.317 -1.749 -0.984 463 3HG2 ILE 59 3HG2 ILE 59 9.068 -0.594 -2.283 464 1HD1 ILE 59 1HD1 ILE 59 7.028 -4.505 0.277 465 2HD1 ILE 59 2HD1 ILE 59 7.628 -4.418 -1.394 466 3HD1 ILE 59 3HD1 ILE 59 8.546 -3.652 -0.071 467 H HIS 60 H HIS 60 7.144 -1.083 -4.730 468 HA HIS 60 HA HIS 60 8.620 1.281 -5.096 469 1HB HIS 60 2HB HIS 60 7.152 -0.348 -7.201 470 2HB HIS 60 3HB HIS 60 8.435 0.824 -7.502 471 HD1 HIS 60 1HD HIS 60 8.887 -2.012 -8.550 472 HD2 HIS 60 2HD HIS 60 9.943 -0.774 -4.668 473 HE1 HIS 60 1HE HIS 60 10.662 -3.646 -7.713 474 H THR 61 H THR 61 5.089 0.651 -5.700 475 HA THR 61 HA THR 61 4.677 3.208 -6.961 476 HB THR 61 HB THR 61 2.745 1.352 -5.515 477 HG1 THR 61 1HG THR 61 2.155 0.964 -7.701 478 1HG2 THR 61 1HG2 THR 61 2.255 3.904 -7.111 479 2HG2 THR 61 2HG2 THR 61 1.000 2.701 -6.778 480 3HG2 THR 61 3HG2 THR 61 1.760 3.554 -5.434 481 H ILE 62 H ILE 62 4.301 2.094 -3.572 482 HA ILE 62 HA ILE 62 3.491 4.576 -2.468 483 HB ILE 62 HB ILE 62 4.550 1.967 -1.491 484 1HG1 ILE 62 2HG1 ILE 62 2.668 2.285 0.143 485 2HG1 ILE 62 3HG1 ILE 62 2.323 3.853 -0.600 486 1HG2 ILE 62 1HG2 ILE 62 6.079 3.324 -0.189 487 2HG2 ILE 62 2HG2 ILE 62 4.776 4.470 0.216 488 3HG2 ILE 62 3HG2 ILE 62 4.751 2.826 0.855 489 1HD1 ILE 62 1HD1 ILE 62 1.852 2.684 -2.750 490 2HD1 ILE 62 2HD1 ILE 62 2.234 1.131 -1.963 491 3HD1 ILE 62 3HD1 ILE 62 0.838 2.073 -1.425 492 H GLU 63 H GLU 63 6.807 3.244 -2.757 493 HA GLU 63 HA GLU 63 8.219 5.432 -1.674 494 1HB GLU 63 2HB GLU 63 8.949 3.376 -3.797 495 2HB GLU 63 3HB GLU 63 10.116 4.492 -3.076 496 1HG GLU 63 2HG GLU 63 9.777 3.569 -0.868 497 2HG GLU 63 3HG GLU 63 8.445 2.552 -1.412 498 H SER 64 H SER 64 7.596 4.670 -5.114 499 HA SER 64 HA SER 64 8.744 6.935 -6.280 500 1HB SER 64 2HB SER 64 7.986 4.913 -7.486 501 2HB SER 64 3HB SER 64 6.292 5.366 -7.200 502 HG SER 64 HG SER 64 7.097 6.021 -9.268 503 H LEU 65 H LEU 65 5.368 6.476 -5.140 504 HA LEU 65 HA LEU 65 4.465 9.093 -5.830 505 1HB LEU 65 2HB LEU 65 3.602 7.048 -3.758 506 2HB LEU 65 3HB LEU 65 2.730 8.555 -3.962 507 HG LEU 65 HG LEU 65 3.186 6.591 -6.249 508 1HD1 LEU 65 1HD1 LEU 65 1.862 5.665 -4.281 509 2HD1 LEU 65 2HD1 LEU 65 0.694 6.977 -4.554 510 3HD1 LEU 65 3HD1 LEU 65 0.985 5.752 -5.810 511 1HD2 LEU 65 1HD2 LEU 65 1.304 7.807 -7.302 512 2HD2 LEU 65 2HD2 LEU 65 1.240 8.928 -5.935 513 3HD2 LEU 65 3HD2 LEU 65 2.651 8.898 -7.015 514 H GLY 66 H GLY 66 5.747 7.822 -2.712 515 1HA GLY 66 2HA GLY 66 6.990 10.361 -2.218 516 2HA GLY 66 1HA GLY 66 5.575 10.190 -1.184 517 H PHE 67 H PHE 67 6.018 7.212 -0.849 518 HA PHE 67 HA PHE 67 7.033 8.289 1.704 519 1HB PHE 67 2HB PHE 67 4.731 6.402 1.226 520 2HB PHE 67 3HB PHE 67 5.024 7.426 2.611 521 HD1 PHE 67 1HD PHE 67 5.087 10.026 2.173 522 HD2 PHE 67 2HD PHE 67 3.419 7.194 -0.616 523 HE1 PHE 67 1HE PHE 67 3.663 11.809 1.216 524 HE2 PHE 67 2HE PHE 67 1.966 8.972 -1.548 525 HZ PHE 67 HZ PHE 67 2.019 11.260 -0.554 526 H GLU 68 H GLU 68 7.245 6.720 3.518 527 HA GLU 68 HA GLU 68 9.200 4.625 2.754 528 1HB GLU 68 2HB GLU 68 9.824 6.224 4.500 529 2HB GLU 68 3HB GLU 68 8.310 5.939 5.338 530 1HG GLU 68 2HG GLU 68 9.122 3.518 5.729 531 2HG GLU 68 3HG GLU 68 10.693 4.062 5.120 532 H ALA 69 H ALA 69 8.866 2.393 3.459 533 HA ALA 69 HA ALA 69 6.426 1.738 4.838 534 1HB ALA 69 1HB ALA 69 5.671 0.060 3.120 535 2HB ALA 69 2HB ALA 69 5.569 1.731 2.549 536 3HB ALA 69 3HB ALA 69 6.905 0.689 2.006 537 H SER 70 H SER 70 6.326 -0.521 5.521 538 HA SER 70 HA SER 70 8.735 -2.163 5.172 539 1HB SER 70 2HB SER 70 8.001 -1.212 7.975 540 2HB SER 70 3HB SER 70 9.324 -2.295 7.521 541 HG SER 70 HG SER 70 9.745 -0.180 6.087 542 H LEU 71 H LEU 71 8.074 -4.264 5.093 543 HA LEU 71 HA LEU 71 5.433 -5.167 6.000 544 1HB LEU 71 2HB LEU 71 7.943 -6.527 4.943 545 2HB LEU 71 3HB LEU 71 6.519 -7.442 5.436 546 HG LEU 71 HG LEU 71 6.134 -5.216 3.444 547 1HD1 LEU 71 1HD1 LEU 71 8.058 -6.439 2.543 548 2HD1 LEU 71 2HD1 LEU 71 7.214 -7.986 2.773 549 3HD1 LEU 71 3HD1 LEU 71 6.601 -6.800 1.599 550 1HD2 LEU 71 1HD2 LEU 71 4.201 -6.553 4.437 551 2HD2 LEU 71 2HD2 LEU 71 4.339 -6.694 2.673 552 3HD2 LEU 71 3HD2 LEU 71 4.906 -8.007 3.719 553 H VAL 72 H VAL 72 5.996 -4.086 8.195 554 HA VAL 72 HA VAL 72 7.757 -5.537 9.960 555 HB VAL 72 HB VAL 72 7.213 -3.189 10.256 556 1HG1 VAL 72 1HG1 VAL 72 4.477 -3.926 11.362 557 2HG1 VAL 72 2HG1 VAL 72 5.186 -2.344 11.102 558 3HG1 VAL 72 3HG1 VAL 72 4.707 -3.332 9.706 559 1HG2 VAL 72 1HG2 VAL 72 6.387 -4.915 12.626 560 2HG2 VAL 72 2HG2 VAL 72 8.052 -4.533 12.141 561 3HG2 VAL 72 3HG2 VAL 72 6.971 -3.242 12.694 562 H LYS 73 H LYS 73 7.312 -7.728 9.994 563 HA LYS 73 HA LYS 73 4.939 -8.467 11.569 564 1HB LYS 73 2HB LYS 73 5.660 -9.754 8.889 565 2HB LYS 73 3HB LYS 73 4.595 -10.487 10.112 566 1HG LYS 73 2HG LYS 73 3.223 -8.421 10.123 567 2HG LYS 73 3HG LYS 73 4.183 -7.803 8.745 568 1HD LYS 73 2HD LYS 73 3.276 -9.337 7.233 569 2HD LYS 73 3HD LYS 73 2.734 -10.438 8.514 570 1HE LYS 73 2HE LYS 73 0.849 -9.062 7.473 571 2HE LYS 73 3HE LYS 73 0.992 -8.997 9.232 572 1HZ LYS 73 1HZ LYS 73 2.217 -6.852 8.914 573 2HZ LYS 73 2HZ LYS 73 1.708 -6.852 7.336 574 3HZ LYS 73 3HZ LYS 73 0.639 -6.876 8.566 575 H ILE 74 H ILE 74 5.501 -9.639 13.183 576 HA ILE 74 HA ILE 74 7.730 -11.506 13.249 577 HB ILE 74 HB ILE 74 7.640 -9.001 15.016 578 1HG1 ILE 74 2HG1 ILE 74 8.875 -8.606 12.939 579 2HG1 ILE 74 3HG1 ILE 74 9.893 -8.543 14.367 580 1HG2 ILE 74 1HG2 ILE 74 9.202 -11.573 15.395 581 2HG2 ILE 74 2HG2 ILE 74 9.573 -10.047 16.235 582 3HG2 ILE 74 3HG2 ILE 74 8.014 -10.840 16.489 583 1HD1 ILE 74 1HD1 ILE 74 11.020 -9.686 12.517 584 2HD1 ILE 74 2HD1 ILE 74 10.802 -10.783 13.886 585 3HD1 ILE 74 3HD1 ILE 74 9.755 -10.918 12.455 586 H GLU 75 H GLU 75 5.654 -9.534 15.341 587 HA GLU 75 HA GLU 75 3.824 -11.767 15.952 588 1HB GLU 75 2HB GLU 75 3.653 -8.759 16.473 589 2HB GLU 75 3HB GLU 75 2.496 -9.984 17.003 590 1HG GLU 75 2HG GLU 75 4.232 -11.020 18.440 591 2HG GLU 75 3HG GLU 75 5.416 -9.813 17.907 Start of MODEL 23 1 1H MET 1 H1 MET 1 -5.147 -19.261 -0.698 2 2H MET 1 H2 MET 1 -5.685 -20.587 0.170 3 3H MET 1 H3 MET 1 -4.477 -19.603 0.742 4 HA MET 1 HA MET 1 -3.393 -21.506 -0.027 5 1HB MET 1 2HB MET 1 -4.944 -20.950 -2.612 6 2HB MET 1 3HB MET 1 -3.548 -22.041 -2.503 7 1HG MET 1 2HG MET 1 -6.188 -22.376 -1.031 8 2HG MET 1 3HG MET 1 -5.629 -23.282 -2.437 9 1HE MET 1 1HE MET 1 -6.215 -25.544 -1.215 10 2HE MET 1 2HE MET 1 -5.598 -25.973 0.398 11 3HE MET 1 3HE MET 1 -6.756 -24.634 0.221 12 H GLY 2 H GLY 2 -3.273 -19.851 -3.089 13 1HA GLY 2 2HA GLY 2 -1.593 -17.612 -2.218 14 2HA GLY 2 1HA GLY 2 -2.595 -17.732 -3.682 15 H ASP 3 H ASP 3 -2.711 -15.433 -1.939 16 HA ASP 3 HA ASP 3 -5.532 -15.397 -1.340 17 1HB ASP 3 2HB ASP 3 -4.333 -16.231 0.818 18 2HB ASP 3 3HB ASP 3 -3.626 -14.609 0.904 19 H GLY 4 H GLY 4 -5.952 -13.025 -0.604 20 1HA GLY 4 2HA GLY 4 -4.251 -11.185 -2.230 21 2HA GLY 4 1HA GLY 4 -6.025 -11.191 -2.324 22 H VAL 5 H VAL 5 -5.465 -11.832 0.919 23 HA VAL 5 HA VAL 5 -5.794 -8.993 1.655 24 HB VAL 5 HB VAL 5 -5.566 -11.509 3.352 25 1HG1 VAL 5 1HG1 VAL 5 -6.591 -10.062 5.122 26 2HG1 VAL 5 2HG1 VAL 5 -4.967 -9.536 4.670 27 3HG1 VAL 5 3HG1 VAL 5 -6.381 -8.662 4.050 28 1HG2 VAL 5 1HG2 VAL 5 -8.035 -11.232 3.609 29 2HG2 VAL 5 2HG2 VAL 5 -7.995 -9.928 2.401 30 3HG2 VAL 5 3HG2 VAL 5 -7.580 -11.586 1.941 31 H LEU 6 H LEU 6 -4.054 -7.602 2.184 32 HA LEU 6 HA LEU 6 -1.552 -8.823 3.184 33 1HB LEU 6 2HB LEU 6 -1.659 -8.802 0.679 34 2HB LEU 6 3HB LEU 6 -1.828 -7.062 0.709 35 HG LEU 6 HG LEU 6 0.344 -7.756 0.099 36 1HD1 LEU 6 1HD1 LEU 6 0.116 -5.669 1.506 37 2HD1 LEU 6 2HD1 LEU 6 0.743 -6.619 2.876 38 3HD1 LEU 6 3HD1 LEU 6 1.730 -6.398 1.430 39 1HD2 LEU 6 1HD2 LEU 6 0.703 -9.103 2.811 40 2HD2 LEU 6 2HD2 LEU 6 0.419 -9.945 1.271 41 3HD2 LEU 6 3HD2 LEU 6 1.899 -8.998 1.506 42 H GLU 7 H GLU 7 -0.930 -7.664 4.930 43 HA GLU 7 HA GLU 7 -1.550 -4.770 5.028 44 1HB GLU 7 2HB GLU 7 -0.797 -5.470 7.595 45 2HB GLU 7 3HB GLU 7 -2.416 -5.129 6.986 46 1HG GLU 7 2HG GLU 7 -2.462 -7.175 8.212 47 2HG GLU 7 3HG GLU 7 -2.747 -7.515 6.500 48 H LEU 8 H LEU 8 0.019 -3.450 4.717 49 HA LEU 8 HA LEU 8 2.817 -4.127 5.556 50 1HB LEU 8 2HB LEU 8 1.826 -1.859 3.789 51 2HB LEU 8 3HB LEU 8 3.506 -2.240 4.151 52 HG LEU 8 HG LEU 8 1.616 -4.026 2.557 53 1HD1 LEU 8 1HD1 LEU 8 2.085 -1.951 1.369 54 2HD1 LEU 8 2HD1 LEU 8 3.825 -2.144 1.664 55 3HD1 LEU 8 3HD1 LEU 8 2.966 -3.294 0.616 56 1HD2 LEU 8 1HD2 LEU 8 3.372 -5.355 3.628 57 2HD2 LEU 8 2HD2 LEU 8 3.758 -5.181 1.913 58 3HD2 LEU 8 3HD2 LEU 8 4.616 -4.193 3.106 59 H VAL 9 H VAL 9 3.868 -2.375 6.767 60 HA VAL 9 HA VAL 9 2.112 -0.276 7.855 61 HB VAL 9 HB VAL 9 4.665 -1.456 8.785 62 1HG1 VAL 9 1HG1 VAL 9 5.645 0.646 7.988 63 2HG1 VAL 9 2HG1 VAL 9 4.356 1.578 8.801 64 3HG1 VAL 9 3HG1 VAL 9 5.528 0.648 9.750 65 1HG2 VAL 9 1HG2 VAL 9 2.420 -1.306 10.018 66 2HG2 VAL 9 2HG2 VAL 9 3.846 -0.747 10.924 67 3HG2 VAL 9 3HG2 VAL 9 2.734 0.434 10.215 68 H VAL 10 H VAL 10 2.454 1.865 7.023 69 HA VAL 10 HA VAL 10 4.449 2.247 4.948 70 HB VAL 10 HB VAL 10 2.412 1.581 3.769 71 1HG1 VAL 10 1HG1 VAL 10 0.687 2.045 5.426 72 2HG1 VAL 10 2HG1 VAL 10 1.011 3.784 5.341 73 3HG1 VAL 10 3HG1 VAL 10 0.352 2.952 3.936 74 1HG2 VAL 10 1HG2 VAL 10 3.777 3.327 2.784 75 2HG2 VAL 10 2HG2 VAL 10 2.062 3.635 2.444 76 3HG2 VAL 10 3HG2 VAL 10 2.908 4.552 3.711 77 H ARG 11 H ARG 11 5.172 4.458 4.989 78 HA ARG 11 HA ARG 11 3.943 6.276 6.950 79 1HB ARG 11 2HB ARG 11 5.945 6.610 8.245 80 2HB ARG 11 3HB ARG 11 5.491 4.902 8.310 81 1HG ARG 11 2HG ARG 11 7.196 4.418 6.537 82 2HG ARG 11 3HG ARG 11 7.669 6.132 6.560 83 1HD ARG 11 2HD ARG 11 8.157 5.835 9.052 84 2HD ARG 11 3HD ARG 11 7.932 4.087 8.778 85 HE ARG 11 HE ARG 11 9.824 5.574 7.016 86 1HH1 ARG 11 2HH2 ARG 11 9.611 3.723 9.998 87 2HH1 ARG 11 1HH2 ARG 11 11.249 3.140 9.932 88 1HH2 ARG 11 2HH1 ARG 11 11.916 4.706 6.795 89 2HH2 ARG 11 1HH1 ARG 11 12.631 3.796 8.090 90 H GLY 12 H GLY 12 5.011 8.431 6.896 91 1HA GLY 12 2HA GLY 12 6.267 10.063 5.680 92 2HA GLY 12 1HA GLY 12 6.095 9.122 4.198 93 H MET 13 H MET 13 3.132 8.696 5.548 94 HA MET 13 HA MET 13 1.927 10.648 3.837 95 1HB MET 13 2HB MET 13 0.484 9.006 5.932 96 2HB MET 13 3HB MET 13 -0.189 9.791 4.517 97 1HG MET 13 2HG MET 13 -0.084 7.637 3.765 98 2HG MET 13 3HG MET 13 1.469 8.255 3.189 99 1HE MET 13 1HE MET 13 0.712 7.202 7.049 100 2HE MET 13 2HE MET 13 -0.416 6.297 5.998 101 3HE MET 13 3HE MET 13 0.897 5.466 6.853 102 H THR 14 H THR 14 2.944 12.532 4.782 103 HA THR 14 HA THR 14 2.418 13.343 7.441 104 HB THR 14 HB THR 14 4.231 14.282 6.197 105 HG1 THR 14 1HG THR 14 2.268 15.948 7.276 106 1HG2 THR 14 1HG2 THR 14 2.135 15.650 4.464 107 2HG2 THR 14 2HG2 THR 14 3.864 16.056 4.505 108 3HG2 THR 14 3HG2 THR 14 3.357 14.454 3.959 109 H CYS 15 H CYS 15 0.061 13.324 4.834 110 HA CYS 15 HA CYS 15 -1.919 14.277 6.680 111 1HB CYS 15 2HB CYS 15 -2.612 16.288 5.436 112 2HB CYS 15 3HB CYS 15 -0.963 16.459 6.002 113 H ALA 16 H ALA 16 -4.080 14.569 5.393 114 HA ALA 16 HA ALA 16 -4.842 12.204 4.140 115 1HB ALA 16 1HB ALA 16 -6.812 13.464 3.340 116 2HB ALA 16 2HB ALA 16 -6.444 13.844 5.038 117 3HB ALA 16 3HB ALA 16 -6.011 14.992 3.746 118 H SER 17 H SER 17 -3.626 15.233 2.663 119 HA SER 17 HA SER 17 -4.033 14.678 -0.015 120 1HB SER 17 2HB SER 17 -1.597 16.140 1.000 121 2HB SER 17 3HB SER 17 -2.612 16.506 -0.396 122 HG SER 17 HG SER 17 -2.835 17.537 1.985 123 H CYS 18 H CYS 18 -1.608 13.335 2.201 124 HA CYS 18 HA CYS 18 -0.136 11.984 0.047 125 1HB CYS 18 2HB CYS 18 -0.133 11.536 3.046 126 2HB CYS 18 3HB CYS 18 0.920 10.798 1.857 127 H VAL 19 H VAL 19 -2.255 11.032 2.761 128 HA VAL 19 HA VAL 19 -2.357 8.333 2.312 129 HB VAL 19 HB VAL 19 -4.674 10.052 3.295 130 1HG1 VAL 19 1HG1 VAL 19 -5.447 7.749 2.774 131 2HG1 VAL 19 2HG1 VAL 19 -4.111 7.096 3.748 132 3HG1 VAL 19 3HG1 VAL 19 -5.404 8.033 4.515 133 1HG2 VAL 19 1HG2 VAL 19 -2.603 10.388 4.626 134 2HG2 VAL 19 2HG2 VAL 19 -3.813 9.496 5.547 135 3HG2 VAL 19 3HG2 VAL 19 -2.441 8.632 4.823 136 H HIS 20 H HIS 20 -4.772 10.634 0.952 137 HA HIS 20 HA HIS 20 -6.253 8.613 -0.389 138 1HB HIS 20 2HB HIS 20 -7.479 10.297 -1.387 139 2HB HIS 20 3HB HIS 20 -6.981 11.000 0.148 140 HD1 HIS 20 1HD HIS 20 -7.754 12.464 -2.779 141 HD2 HIS 20 2HD HIS 20 -4.031 12.049 -0.889 142 HE1 HIS 20 1HE HIS 20 -6.239 14.273 -3.742 143 H LYS 21 H LYS 21 -3.244 10.153 -1.234 144 HA LYS 21 HA LYS 21 -3.494 9.907 -4.096 145 1HB LYS 21 2HB LYS 21 -2.163 11.583 -2.631 146 2HB LYS 21 3HB LYS 21 -0.923 10.339 -2.532 147 1HG LYS 21 2HG LYS 21 -0.588 10.326 -4.888 148 2HG LYS 21 3HG LYS 21 -2.016 11.296 -5.215 149 1HD LYS 21 2HD LYS 21 0.199 12.407 -3.448 150 2HD LYS 21 3HD LYS 21 0.385 12.384 -5.198 151 1HE LYS 21 2HE LYS 21 -0.430 14.539 -4.510 152 2HE LYS 21 3HE LYS 21 -1.622 13.735 -5.537 153 1HZ LYS 21 1HZ LYS 21 -2.961 13.304 -3.556 154 2HZ LYS 21 2HZ LYS 21 -1.783 13.819 -2.575 155 3HZ LYS 21 3HZ LYS 21 -2.549 14.874 -3.562 156 H ILE 22 H ILE 22 -2.041 8.099 -1.406 157 HA ILE 22 HA ILE 22 -0.570 6.197 -2.936 158 HB ILE 22 HB ILE 22 -1.974 5.763 -0.261 159 1HG1 ILE 22 2HG1 ILE 22 0.684 6.911 -1.058 160 2HG1 ILE 22 3HG1 ILE 22 -0.587 7.638 -0.053 161 1HG2 ILE 22 1HG2 ILE 22 -0.365 3.925 0.025 162 2HG2 ILE 22 2HG2 ILE 22 -1.266 3.649 -1.455 163 3HG2 ILE 22 3HG2 ILE 22 0.382 4.301 -1.547 164 1HD1 ILE 22 1HD1 ILE 22 1.252 6.988 1.359 165 2HD1 ILE 22 2HD1 ILE 22 -0.125 5.924 1.709 166 3HD1 ILE 22 3HD1 ILE 22 1.253 5.341 0.737 167 H GLU 23 H GLU 23 -3.811 5.785 -1.457 168 HA GLU 23 HA GLU 23 -4.533 3.456 -2.857 169 1HB GLU 23 2HB GLU 23 -5.799 4.138 -0.925 170 2HB GLU 23 3HB GLU 23 -6.062 5.730 -1.602 171 1HG GLU 23 2HG GLU 23 -8.094 5.012 -2.017 172 2HG GLU 23 3HG GLU 23 -7.431 4.255 -3.459 173 H SER 24 H SER 24 -5.412 6.864 -3.745 174 HA SER 24 HA SER 24 -6.748 6.185 -6.090 175 1HB SER 24 2HB SER 24 -6.695 8.439 -5.005 176 2HB SER 24 3HB SER 24 -5.072 8.693 -5.677 177 HG SER 24 HG SER 24 -6.197 8.206 -7.782 178 H SER 25 H SER 25 -3.206 6.673 -5.671 179 HA SER 25 HA SER 25 -2.679 6.575 -8.530 180 1HB SER 25 2HB SER 25 -1.229 7.810 -6.977 181 2HB SER 25 3HB SER 25 -0.784 6.296 -6.159 182 HG SER 25 HG SER 25 0.408 5.740 -7.866 183 H LEU 26 H LEU 26 -2.342 4.299 -5.747 184 HA LEU 26 HA LEU 26 -1.178 2.274 -7.358 185 1HB LEU 26 2HB LEU 26 -0.639 2.751 -4.991 186 2HB LEU 26 3HB LEU 26 -2.317 2.412 -4.526 187 HG LEU 26 HG LEU 26 -2.126 0.148 -4.959 188 1HD1 LEU 26 1HD1 LEU 26 0.064 -0.903 -5.709 189 2HD1 LEU 26 2HD1 LEU 26 -0.680 0.076 -6.977 190 3HD1 LEU 26 3HD1 LEU 26 0.673 0.727 -6.040 191 1HD2 LEU 26 1HD2 LEU 26 -0.566 -0.408 -3.201 192 2HD2 LEU 26 2HD2 LEU 26 0.478 0.982 -3.600 193 3HD2 LEU 26 3HD2 LEU 26 -1.108 1.250 -2.869 194 H THR 27 H THR 27 -4.451 2.528 -5.813 195 HA THR 27 HA THR 27 -5.206 -0.016 -6.533 196 HB THR 27 HB THR 27 -6.956 2.388 -6.026 197 HG1 THR 27 1HG THR 27 -6.730 1.569 -3.863 198 1HG2 THR 27 1HG2 THR 27 -8.319 0.484 -6.833 199 2HG2 THR 27 2HG2 THR 27 -7.486 -0.607 -5.708 200 3HG2 THR 27 3HG2 THR 27 -8.529 0.685 -5.086 201 H LYS 28 H LYS 28 -5.051 2.726 -8.695 202 HA LYS 28 HA LYS 28 -6.792 1.644 -10.709 203 1HB LYS 28 2HB LYS 28 -5.680 3.105 -12.248 204 2HB LYS 28 3HB LYS 28 -6.158 3.973 -10.790 205 1HG LYS 28 2HG LYS 28 -4.052 4.569 -10.333 206 2HG LYS 28 3HG LYS 28 -3.456 2.921 -10.582 207 1HD LYS 28 2HD LYS 28 -3.860 3.725 -13.201 208 2HD LYS 28 3HD LYS 28 -3.424 5.256 -12.445 209 1HE LYS 28 2HE LYS 28 -1.881 2.617 -12.427 210 2HE LYS 28 3HE LYS 28 -1.450 4.037 -13.375 211 1HZ LYS 28 1HZ LYS 28 -0.719 5.135 -11.461 212 2HZ LYS 28 2HZ LYS 28 -1.573 4.167 -10.444 213 3HZ LYS 28 3HZ LYS 28 -0.262 3.557 -11.174 214 H HIS 29 H HIS 29 -3.638 0.564 -9.665 215 HA HIS 29 HA HIS 29 -2.802 -0.665 -12.166 216 1HB HIS 29 2HB HIS 29 -2.011 -1.172 -9.270 217 2HB HIS 29 3HB HIS 29 -1.344 -2.033 -10.649 218 HD1 HIS 29 1HD HIS 29 0.991 -1.094 -11.201 219 HD2 HIS 29 2HD HIS 29 -1.732 1.789 -9.836 220 HE1 HIS 29 1HE HIS 29 2.202 1.154 -11.258 221 H ARG 30 H ARG 30 -4.270 -2.028 -13.048 222 HA ARG 30 HA ARG 30 -6.187 -3.668 -11.835 223 1HB ARG 30 2HB ARG 30 -4.550 -4.092 -14.370 224 2HB ARG 30 3HB ARG 30 -5.964 -5.056 -13.922 225 1HG ARG 30 2HG ARG 30 -7.395 -3.067 -13.959 226 2HG ARG 30 3HG ARG 30 -6.013 -2.027 -14.339 227 1HD ARG 30 2HD ARG 30 -5.612 -3.177 -16.440 228 2HD ARG 30 3HD ARG 30 -6.865 -4.366 -16.124 229 HE ARG 30 HE ARG 30 -7.149 -1.641 -17.117 230 1HH1 ARG 30 2HH2 ARG 30 -8.835 -4.178 -15.363 231 2HH1 ARG 30 1HH2 ARG 30 -10.432 -3.717 -15.865 232 1HH2 ARG 30 2HH1 ARG 30 -9.254 -0.958 -17.802 233 2HH2 ARG 30 1HH1 ARG 30 -10.666 -1.812 -17.274 234 H GLY 31 H GLY 31 -5.581 -4.839 -10.035 235 1HA GLY 31 2HA GLY 31 -4.506 -7.281 -9.805 236 2HA GLY 31 1HA GLY 31 -3.034 -6.306 -9.994 237 H ILE 32 H ILE 32 -4.217 -3.922 -8.694 238 HA ILE 32 HA ILE 32 -4.319 -4.698 -5.859 239 HB ILE 32 HB ILE 32 -4.804 -2.036 -7.212 240 1HG1 ILE 32 2HG1 ILE 32 -2.491 -2.873 -7.717 241 2HG1 ILE 32 3HG1 ILE 32 -2.564 -1.376 -6.809 242 1HG2 ILE 32 1HG2 ILE 32 -5.655 -2.026 -4.934 243 2HG2 ILE 32 2HG2 ILE 32 -4.209 -2.856 -4.321 244 3HG2 ILE 32 3HG2 ILE 32 -4.103 -1.185 -4.892 245 1HD1 ILE 32 1HD1 ILE 32 -0.878 -3.089 -6.063 246 2HD1 ILE 32 2HD1 ILE 32 -1.909 -2.394 -4.787 247 3HD1 ILE 32 3HD1 ILE 32 -2.219 -4.036 -5.393 248 H LEU 33 H LEU 33 -6.253 -4.450 -4.676 249 HA LEU 33 HA LEU 33 -8.812 -4.257 -6.223 250 1HB LEU 33 2HB LEU 33 -8.304 -5.675 -3.587 251 2HB LEU 33 3HB LEU 33 -9.794 -5.674 -4.526 252 HG LEU 33 HG LEU 33 -7.143 -6.903 -5.446 253 1HD1 LEU 33 1HD1 LEU 33 -8.228 -9.059 -5.014 254 2HD1 LEU 33 2HD1 LEU 33 -8.083 -8.104 -3.531 255 3HD1 LEU 33 3HD1 LEU 33 -9.654 -8.224 -4.356 256 1HD2 LEU 33 1HD2 LEU 33 -8.540 -6.232 -7.367 257 2HD2 LEU 33 2HD2 LEU 33 -8.551 -7.988 -7.184 258 3HD2 LEU 33 3HD2 LEU 33 -9.949 -7.036 -6.642 259 H TYR 34 H TYR 34 -7.149 -3.476 -3.105 260 HA TYR 34 HA TYR 34 -8.622 -0.945 -2.895 261 1HB TYR 34 2HB TYR 34 -10.202 -2.639 -1.972 262 2HB TYR 34 3HB TYR 34 -8.903 -3.288 -0.967 263 HD1 TYR 34 HD1 TYR 34 -9.562 0.407 -1.264 264 HD2 TYR 34 HD2 TYR 34 -10.261 -3.201 0.999 265 HE1 TYR 34 HE1 TYR 34 -10.269 1.752 0.673 266 HE2 TYR 34 HE2 TYR 34 -11.148 -1.851 2.865 267 HH TYR 34 HH TYR 34 -11.625 0.288 3.630 268 H CYS 35 H CYS 35 -7.406 0.513 -1.512 269 HA CYS 35 HA CYS 35 -5.029 -0.641 -0.068 270 1HB CYS 35 2HB CYS 35 -5.406 1.826 -1.713 271 2HB CYS 35 3HB CYS 35 -4.111 1.731 -0.509 272 HG CYS 35 HG CYS 35 -2.843 -0.100 -1.420 273 H SER 36 H SER 36 -6.463 -0.925 1.893 274 HA SER 36 HA SER 36 -7.598 1.550 2.980 275 1HB SER 36 2HB SER 36 -8.619 -0.695 3.374 276 2HB SER 36 3HB SER 36 -7.252 -1.108 4.391 277 HG SER 36 HG SER 36 -9.123 0.975 4.771 278 H VAL 37 H VAL 37 -5.556 2.713 2.777 279 HA VAL 37 HA VAL 37 -3.610 2.251 4.942 280 HB VAL 37 HB VAL 37 -2.570 2.777 2.890 281 1HG1 VAL 37 1HG1 VAL 37 -3.002 4.996 1.725 282 2HG1 VAL 37 2HG1 VAL 37 -4.249 3.768 1.526 283 3HG1 VAL 37 3HG1 VAL 37 -4.505 5.110 2.656 284 1HG2 VAL 37 1HG2 VAL 37 -1.283 4.734 3.410 285 2HG2 VAL 37 2HG2 VAL 37 -2.545 5.380 4.469 286 3HG2 VAL 37 3HG2 VAL 37 -1.657 3.915 4.932 287 H ALA 38 H ALA 38 -3.402 3.551 6.797 288 HA ALA 38 HA ALA 38 -4.845 6.106 6.810 289 1HB ALA 38 1HB ALA 38 -5.508 3.973 8.867 290 2HB ALA 38 2HB ALA 38 -6.000 5.673 8.935 291 3HB ALA 38 3HB ALA 38 -6.608 4.628 7.635 292 H LEU 39 H LEU 39 -3.347 7.481 7.440 293 HA LEU 39 HA LEU 39 -0.949 6.887 8.736 294 1HB LEU 39 2HB LEU 39 -0.658 9.291 9.016 295 2HB LEU 39 3HB LEU 39 -1.219 8.827 7.416 296 HG LEU 39 HG LEU 39 -3.537 9.583 8.018 297 1HD1 LEU 39 1HD1 LEU 39 -3.610 11.320 9.898 298 2HD1 LEU 39 2HD1 LEU 39 -3.619 9.653 10.435 299 3HD1 LEU 39 3HD1 LEU 39 -2.115 10.601 10.521 300 1HD2 LEU 39 1HD2 LEU 39 -3.002 11.937 7.688 301 2HD2 LEU 39 2HD2 LEU 39 -1.348 11.685 8.284 302 3HD2 LEU 39 3HD2 LEU 39 -1.861 10.962 6.752 303 H ALA 40 H ALA 40 -4.050 7.165 10.203 304 HA ALA 40 HA ALA 40 -3.273 7.852 12.859 305 1HB ALA 40 1HB ALA 40 -5.426 6.820 13.484 306 2HB ALA 40 2HB ALA 40 -5.608 7.883 12.075 307 3HB ALA 40 3HB ALA 40 -5.576 6.119 11.859 308 H THR 41 H THR 41 -3.207 4.786 11.022 309 HA THR 41 HA THR 41 -1.975 3.426 13.385 310 HB THR 41 HB THR 41 -3.852 2.258 13.325 311 HG1 THR 41 1HG THR 41 -2.007 0.987 12.265 312 1HG2 THR 41 1HG2 THR 41 -5.200 3.475 11.832 313 2HG2 THR 41 2HG2 THR 41 -4.262 2.944 10.424 314 3HG2 THR 41 3HG2 THR 41 -5.268 1.784 11.324 315 H ASN 42 H ASN 42 -1.401 4.596 10.242 316 HA ASN 42 HA ASN 42 0.382 4.476 8.896 317 1HB ASN 42 2HB ASN 42 1.888 3.096 11.164 318 2HB ASN 42 3HB ASN 42 2.576 4.021 9.821 319 1HD2 ASN 42 1HD2 ASN 42 1.357 6.311 9.609 320 2HD2 ASN 42 2HD2 ASN 42 0.837 7.037 11.117 321 H LYS 43 H LYS 43 -1.553 2.407 8.811 322 HA LYS 43 HA LYS 43 -0.014 -0.046 8.146 323 1HB LYS 43 2HB LYS 43 -2.066 -1.285 8.538 324 2HB LYS 43 3HB LYS 43 -1.526 -0.420 9.967 325 1HG LYS 43 2HG LYS 43 -3.797 -0.172 10.009 326 2HG LYS 43 3HG LYS 43 -3.241 1.376 9.369 327 1HD LYS 43 2HD LYS 43 -3.976 0.730 7.112 328 2HD LYS 43 3HD LYS 43 -4.303 -0.927 7.678 329 1HE LYS 43 2HE LYS 43 -6.028 0.169 9.276 330 2HE LYS 43 3HE LYS 43 -5.744 1.667 8.379 331 1HZ LYS 43 1HZ LYS 43 -7.610 0.609 7.389 332 2HZ LYS 43 2HZ LYS 43 -6.373 0.410 6.349 333 3HZ LYS 43 3HZ LYS 43 -6.848 -0.837 7.289 334 H ALA 44 H ALA 44 -0.822 -1.138 6.228 335 HA ALA 44 HA ALA 44 -2.781 0.290 4.546 336 1HB ALA 44 1HB ALA 44 -0.707 1.052 3.619 337 2HB ALA 44 2HB ALA 44 -0.061 -0.607 3.559 338 3HB ALA 44 3HB ALA 44 -1.452 -0.150 2.540 339 H HIS 45 H HIS 45 -4.190 -1.193 5.194 340 HA HIS 45 HA HIS 45 -3.781 -4.127 4.653 341 1HB HIS 45 2HB HIS 45 -5.001 -3.377 6.707 342 2HB HIS 45 3HB HIS 45 -6.196 -2.588 5.681 343 HD1 HIS 45 1HD HIS 45 -6.444 -5.293 7.701 344 HD2 HIS 45 2HD HIS 45 -6.585 -4.972 3.512 345 HE1 HIS 45 1HE HIS 45 -7.847 -7.251 6.866 346 H ILE 46 H ILE 46 -3.173 -3.864 2.583 347 HA ILE 46 HA ILE 46 -5.138 -2.636 0.748 348 HB ILE 46 HB ILE 46 -3.602 -2.946 -1.007 349 1HG1 ILE 46 2HG1 ILE 46 -2.147 -4.813 0.849 350 2HG1 ILE 46 3HG1 ILE 46 -2.902 -5.179 -0.719 351 1HG2 ILE 46 1HG2 ILE 46 -3.003 -1.137 0.696 352 2HG2 ILE 46 2HG2 ILE 46 -1.756 -2.250 1.292 353 3HG2 ILE 46 3HG2 ILE 46 -1.712 -1.671 -0.389 354 1HD1 ILE 46 1HD1 ILE 46 -0.364 -3.612 -0.177 355 2HD1 ILE 46 2HD1 ILE 46 -0.542 -5.183 -0.975 356 3HD1 ILE 46 3HD1 ILE 46 -1.159 -3.712 -1.778 357 H LYS 47 H LYS 47 -5.819 -4.092 -1.021 358 HA LYS 47 HA LYS 47 -5.515 -6.923 -0.422 359 1HB LYS 47 2HB LYS 47 -8.172 -5.647 -1.144 360 2HB LYS 47 3HB LYS 47 -7.813 -7.402 -1.186 361 1HG LYS 47 2HG LYS 47 -7.118 -7.134 1.272 362 2HG LYS 47 3HG LYS 47 -7.881 -5.538 1.219 363 1HD LYS 47 2HD LYS 47 -10.032 -6.616 0.544 364 2HD LYS 47 3HD LYS 47 -9.225 -8.203 0.578 365 1HE LYS 47 2HE LYS 47 -8.640 -7.780 3.012 366 2HE LYS 47 3HE LYS 47 -9.619 -6.310 2.957 367 1HZ LYS 47 1HZ LYS 47 -11.521 -7.710 2.441 368 2HZ LYS 47 2HZ LYS 47 -10.579 -9.062 2.501 369 3HZ LYS 47 3HZ LYS 47 -10.815 -8.167 3.856 370 H TYR 48 H TYR 48 -4.952 -8.011 -2.233 371 HA TYR 48 HA TYR 48 -4.671 -6.579 -4.784 372 1HB TYR 48 2HB TYR 48 -2.394 -6.609 -4.898 373 2HB TYR 48 3HB TYR 48 -2.703 -5.967 -3.294 374 HD1 TYR 48 HD1 TYR 48 -0.086 -7.115 -4.467 375 HD2 TYR 48 HD2 TYR 48 -3.144 -8.898 -2.018 376 HE1 TYR 48 HE1 TYR 48 1.585 -8.581 -3.449 377 HE2 TYR 48 HE2 TYR 48 -1.494 -10.479 -1.115 378 HH TYR 48 HH TYR 48 1.975 -10.296 -1.957 379 H ASP 49 H ASP 49 -3.506 -8.237 -6.372 380 HA ASP 49 HA ASP 49 -3.813 -11.053 -5.418 381 1HB ASP 49 2HB ASP 49 -5.194 -10.898 -7.287 382 2HB ASP 49 3HB ASP 49 -4.012 -9.937 -8.214 383 HA PRO 50 HA PRO 50 0.575 -10.473 -5.249 384 1HB PRO 50 2HB PRO 50 1.431 -13.002 -4.669 385 2HB PRO 50 3HB PRO 50 0.445 -12.049 -3.528 386 1HG PRO 50 2HG PRO 50 -0.542 -14.133 -5.488 387 2HG PRO 50 3HG PRO 50 -0.891 -14.024 -3.735 388 1HD PRO 50 2HD PRO 50 -2.611 -13.032 -5.574 389 2HD PRO 50 3HD PRO 50 -2.304 -12.143 -4.051 390 H GLU 51 H GLU 51 -0.862 -12.390 -7.821 391 HA GLU 51 HA GLU 51 1.783 -13.093 -8.969 392 1HB GLU 51 2HB GLU 51 -1.057 -13.847 -9.784 393 2HB GLU 51 3HB GLU 51 0.436 -14.343 -10.596 394 1HG GLU 51 2HG GLU 51 1.206 -15.400 -8.438 395 2HG GLU 51 3HG GLU 51 -0.369 -14.999 -7.728 396 H ILE 52 H ILE 52 -1.256 -11.309 -9.739 397 HA ILE 52 HA ILE 52 0.107 -10.180 -12.124 398 HB ILE 52 HB ILE 52 -1.989 -9.196 -12.732 399 1HG1 ILE 52 2HG1 ILE 52 -3.347 -10.645 -10.454 400 2HG1 ILE 52 3HG1 ILE 52 -2.849 -8.952 -10.298 401 1HG2 ILE 52 1HG2 ILE 52 -1.340 -11.513 -13.384 402 2HG2 ILE 52 2HG2 ILE 52 -2.248 -12.146 -11.998 403 3HG2 ILE 52 3HG2 ILE 52 -3.090 -11.304 -13.312 404 1HD1 ILE 52 1HD1 ILE 52 -5.208 -9.152 -10.992 405 2HD1 ILE 52 2HD1 ILE 52 -4.242 -8.363 -12.258 406 3HD1 ILE 52 3HD1 ILE 52 -4.739 -10.062 -12.428 407 H ILE 53 H ILE 53 0.300 -9.266 -8.935 408 HA ILE 53 HA ILE 53 1.464 -6.773 -9.842 409 HB ILE 53 HB ILE 53 -1.160 -6.723 -8.818 410 1HG1 ILE 53 2HG1 ILE 53 -0.238 -5.068 -10.333 411 2HG1 ILE 53 3HG1 ILE 53 -1.092 -4.362 -8.955 412 1HG2 ILE 53 1HG2 ILE 53 -0.586 -7.063 -6.596 413 2HG2 ILE 53 2HG2 ILE 53 0.604 -5.734 -6.596 414 3HG2 ILE 53 3HG2 ILE 53 -1.130 -5.409 -6.817 415 1HD1 ILE 53 1HD1 ILE 53 1.071 -3.887 -7.840 416 2HD1 ILE 53 2HD1 ILE 53 1.915 -4.557 -9.266 417 3HD1 ILE 53 3HD1 ILE 53 0.925 -3.095 -9.417 418 H GLY 54 H GLY 54 3.520 -6.692 -8.797 419 1HA GLY 54 2HA GLY 54 4.019 -8.771 -6.862 420 2HA GLY 54 1HA GLY 54 5.124 -7.484 -7.377 421 HA PRO 55 HA PRO 55 3.219 -6.204 -3.131 422 1HB PRO 55 2HB PRO 55 5.154 -7.201 -1.444 423 2HB PRO 55 3HB PRO 55 3.594 -8.004 -1.764 424 1HG PRO 55 2HG PRO 55 6.277 -8.620 -3.002 425 2HG PRO 55 3HG PRO 55 5.052 -9.764 -2.399 426 1HD PRO 55 2HD PRO 55 5.323 -9.152 -5.048 427 2HD PRO 55 3HD PRO 55 3.723 -9.506 -4.342 428 H ARG 56 H ARG 56 6.512 -6.927 -4.307 429 HA ARG 56 HA ARG 56 7.794 -4.518 -3.647 430 1HB ARG 56 2HB ARG 56 9.163 -6.217 -4.266 431 2HB ARG 56 3HB ARG 56 8.181 -6.694 -5.640 432 1HG ARG 56 2HG ARG 56 10.426 -5.901 -6.190 433 2HG ARG 56 3HG ARG 56 9.105 -5.174 -7.084 434 1HD ARG 56 2HD ARG 56 11.074 -3.711 -6.478 435 2HD ARG 56 3HD ARG 56 9.458 -3.078 -6.221 436 HE ARG 56 HE ARG 56 10.460 -4.212 -3.779 437 1HH1 ARG 56 2HH2 ARG 56 10.868 -1.495 -5.994 438 2HH1 ARG 56 1HH2 ARG 56 11.001 -0.271 -4.752 439 1HH2 ARG 56 2HH1 ARG 56 11.026 -2.600 -2.074 440 2HH2 ARG 56 1HH1 ARG 56 11.256 -0.934 -2.565 441 H ASP 57 H ASP 57 5.356 -5.044 -6.249 442 HA ASP 57 HA ASP 57 5.990 -2.505 -7.516 443 1HB ASP 57 2HB ASP 57 3.602 -4.321 -7.827 444 2HB ASP 57 3HB ASP 57 3.947 -2.889 -8.811 445 H ILE 58 H ILE 58 3.453 -3.647 -5.289 446 HA ILE 58 HA ILE 58 2.287 -1.094 -4.769 447 HB ILE 58 HB ILE 58 2.811 -3.509 -3.028 448 1HG1 ILE 58 2HG1 ILE 58 0.084 -2.580 -3.535 449 2HG1 ILE 58 3HG1 ILE 58 0.986 -3.005 -5.001 450 1HG2 ILE 58 1HG2 ILE 58 1.467 -0.923 -2.182 451 2HG2 ILE 58 2HG2 ILE 58 1.282 -2.479 -1.344 452 3HG2 ILE 58 3HG2 ILE 58 2.868 -1.711 -1.429 453 1HD1 ILE 58 1HD1 ILE 58 0.927 -4.870 -2.628 454 2HD1 ILE 58 2HD1 ILE 58 -0.296 -4.892 -3.923 455 3HD1 ILE 58 3HD1 ILE 58 1.415 -5.195 -4.298 456 H ILE 59 H ILE 59 5.289 -2.524 -3.274 457 HA ILE 59 HA ILE 59 5.950 -0.155 -1.927 458 HB ILE 59 HB ILE 59 7.891 -2.233 -2.953 459 1HG1 ILE 59 2HG1 ILE 59 6.160 -3.332 -1.525 460 2HG1 ILE 59 3HG1 ILE 59 7.758 -3.323 -0.810 461 1HG2 ILE 59 1HG2 ILE 59 9.187 -1.399 -0.949 462 2HG2 ILE 59 2HG2 ILE 59 8.976 -0.252 -2.287 463 3HG2 ILE 59 3HG2 ILE 59 8.003 -0.076 -0.825 464 1HD1 ILE 59 1HD1 ILE 59 5.987 -2.875 0.821 465 2HD1 ILE 59 2HD1 ILE 59 7.090 -1.501 0.707 466 3HD1 ILE 59 3HD1 ILE 59 5.487 -1.433 -0.078 467 H HIS 60 H HIS 60 6.825 -1.115 -5.313 468 HA HIS 60 HA HIS 60 8.513 1.024 -5.973 469 1HB HIS 60 2HB HIS 60 6.392 -0.342 -7.729 470 2HB HIS 60 3HB HIS 60 7.497 0.878 -8.294 471 HD1 HIS 60 1HD HIS 60 7.401 -2.617 -8.881 472 HD2 HIS 60 2HD HIS 60 10.251 0.192 -7.474 473 HE1 HIS 60 1HE HIS 60 9.676 -3.565 -9.365 474 H THR 61 H THR 61 4.963 0.861 -5.912 475 HA THR 61 HA THR 61 4.583 3.489 -7.002 476 HB THR 61 HB THR 61 2.656 1.900 -5.253 477 HG1 THR 61 1HG THR 61 3.419 0.609 -6.967 478 1HG2 THR 61 1HG2 THR 61 2.293 4.009 -7.434 479 2HG2 THR 61 2HG2 THR 61 0.981 3.043 -6.744 480 3HG2 THR 61 3HG2 THR 61 1.875 4.171 -5.709 481 H ILE 62 H ILE 62 4.454 2.214 -3.661 482 HA ILE 62 HA ILE 62 3.983 4.608 -2.253 483 HB ILE 62 HB ILE 62 5.338 1.984 -1.649 484 1HG1 ILE 62 2HG1 ILE 62 2.694 3.210 -0.726 485 2HG1 ILE 62 3HG1 ILE 62 2.860 2.108 -2.091 486 1HG2 ILE 62 1HG2 ILE 62 6.316 3.706 -0.082 487 2HG2 ILE 62 2HG2 ILE 62 4.660 3.968 0.535 488 3HG2 ILE 62 3HG2 ILE 62 5.446 2.394 0.678 489 1HD1 ILE 62 1HD1 ILE 62 3.801 0.379 -0.515 490 2HD1 ILE 62 2HD1 ILE 62 3.351 1.457 0.829 491 3HD1 ILE 62 3HD1 ILE 62 2.102 0.819 -0.244 492 H GLU 63 H GLU 63 7.152 3.122 -3.057 493 HA GLU 63 HA GLU 63 8.887 5.158 -2.164 494 1HB GLU 63 2HB GLU 63 9.044 3.191 -4.486 495 2HB GLU 63 3HB GLU 63 10.393 4.219 -4.002 496 1HG GLU 63 2HG GLU 63 10.564 3.166 -1.847 497 2HG GLU 63 3HG GLU 63 9.062 2.272 -2.082 498 H SER 64 H SER 64 7.468 4.648 -5.421 499 HA SER 64 HA SER 64 8.731 6.864 -6.600 500 1HB SER 64 2HB SER 64 7.815 4.933 -7.860 501 2HB SER 64 3HB SER 64 6.168 5.504 -7.506 502 HG SER 64 HG SER 64 7.127 7.585 -8.489 503 H LEU 65 H LEU 65 5.653 6.766 -4.789 504 HA LEU 65 HA LEU 65 4.997 9.539 -5.527 505 1HB LEU 65 2HB LEU 65 3.932 7.551 -3.516 506 2HB LEU 65 3HB LEU 65 3.581 9.285 -3.376 507 HG LEU 65 HG LEU 65 2.691 9.361 -5.648 508 1HD1 LEU 65 1HD1 LEU 65 3.825 7.395 -6.687 509 2HD1 LEU 65 2HD1 LEU 65 2.844 6.331 -5.647 510 3HD1 LEU 65 3HD1 LEU 65 2.075 7.354 -6.869 511 1HD2 LEU 65 1HD2 LEU 65 0.584 8.118 -5.131 512 2HD2 LEU 65 2HD2 LEU 65 1.422 7.326 -3.779 513 3HD2 LEU 65 3HD2 LEU 65 1.171 9.090 -3.777 514 H GLY 66 H GLY 66 5.410 8.710 -2.081 515 1HA GLY 66 2HA GLY 66 8.046 9.900 -1.958 516 2HA GLY 66 1HA GLY 66 6.797 11.009 -1.359 517 H PHE 67 H PHE 67 6.821 7.387 -1.031 518 HA PHE 67 HA PHE 67 6.684 7.838 1.941 519 1HB PHE 67 2HB PHE 67 4.962 6.078 0.199 520 2HB PHE 67 3HB PHE 67 4.748 6.368 1.929 521 HD1 PHE 67 1HD PHE 67 3.201 7.005 -1.058 522 HD2 PHE 67 2HD PHE 67 4.911 9.270 2.196 523 HE1 PHE 67 1HE PHE 67 1.779 8.943 -1.627 524 HE2 PHE 67 2HE PHE 67 3.593 11.233 1.524 525 HZ PHE 67 HZ PHE 67 2.006 11.068 -0.394 526 H GLU 68 H GLU 68 6.907 5.820 3.181 527 HA GLU 68 HA GLU 68 8.744 3.807 1.894 528 1HB GLU 68 2HB GLU 68 8.605 4.740 4.782 529 2HB GLU 68 3HB GLU 68 9.697 3.503 4.150 530 1HG GLU 68 2HG GLU 68 10.919 5.191 2.866 531 2HG GLU 68 3HG GLU 68 9.761 6.449 3.351 532 H ALA 69 H ALA 69 8.389 1.572 2.763 533 HA ALA 69 HA ALA 69 6.262 1.147 4.633 534 1HB ALA 69 1HB ALA 69 5.890 0.279 1.724 535 2HB ALA 69 2HB ALA 69 4.926 -0.369 3.062 536 3HB ALA 69 3HB ALA 69 4.827 1.345 2.661 537 H SER 70 H SER 70 5.914 -1.144 5.127 538 HA SER 70 HA SER 70 8.024 -3.037 4.368 539 1HB SER 70 2HB SER 70 8.606 -3.360 6.820 540 2HB SER 70 3HB SER 70 9.170 -1.823 6.130 541 HG SER 70 HG SER 70 8.103 -1.625 8.203 542 H LEU 71 H LEU 71 7.371 -5.197 4.898 543 HA LEU 71 HA LEU 71 4.533 -5.645 5.672 544 1HB LEU 71 2HB LEU 71 5.215 -8.006 5.638 545 2HB LEU 71 3HB LEU 71 5.354 -7.191 4.090 546 HG LEU 71 HG LEU 71 7.905 -7.172 5.636 547 1HD1 LEU 71 1HD1 LEU 71 7.080 -9.342 6.392 548 2HD1 LEU 71 2HD1 LEU 71 6.728 -9.818 4.712 549 3HD1 LEU 71 3HD1 LEU 71 8.405 -9.540 5.235 550 1HD2 LEU 71 1HD2 LEU 71 7.200 -8.147 2.841 551 2HD2 LEU 71 2HD2 LEU 71 7.687 -6.487 3.241 552 3HD2 LEU 71 3HD2 LEU 71 8.823 -7.826 3.485 553 H VAL 72 H VAL 72 3.913 -5.667 7.754 554 HA VAL 72 HA VAL 72 5.876 -6.528 9.819 555 HB VAL 72 HB VAL 72 5.376 -4.137 10.076 556 1HG1 VAL 72 1HG1 VAL 72 2.467 -4.982 10.476 557 2HG1 VAL 72 2HG1 VAL 72 3.151 -3.381 10.773 558 3HG1 VAL 72 3HG1 VAL 72 3.098 -4.020 9.120 559 1HG2 VAL 72 1HG2 VAL 72 4.107 -5.849 12.256 560 2HG2 VAL 72 2HG2 VAL 72 5.850 -5.586 12.027 561 3HG2 VAL 72 3HG2 VAL 72 4.796 -4.225 12.434 562 H LYS 73 H LYS 73 5.114 -8.106 11.138 563 HA LYS 73 HA LYS 73 2.535 -8.924 11.591 564 1HB LYS 73 2HB LYS 73 2.409 -11.084 10.380 565 2HB LYS 73 3HB LYS 73 2.041 -9.680 9.423 566 1HG LYS 73 2HG LYS 73 4.824 -10.895 9.323 567 2HG LYS 73 3HG LYS 73 3.494 -11.689 8.518 568 1HD LYS 73 2HD LYS 73 4.460 -8.866 7.857 569 2HD LYS 73 3HD LYS 73 4.832 -10.355 7.021 570 1HE LYS 73 2HE LYS 73 3.161 -9.678 5.656 571 2HE LYS 73 3HE LYS 73 2.211 -10.632 6.795 572 1HZ LYS 73 1HZ LYS 73 1.564 -8.500 7.875 573 2HZ LYS 73 2HZ LYS 73 2.391 -7.650 6.741 574 3HZ LYS 73 3HZ LYS 73 1.147 -8.620 6.356 575 H ILE 74 H ILE 74 5.821 -10.126 10.969 576 HA ILE 74 HA ILE 74 5.871 -11.421 13.666 577 HB ILE 74 HB ILE 74 7.853 -11.640 11.363 578 1HG1 ILE 74 2HG1 ILE 74 5.827 -12.772 10.676 579 2HG1 ILE 74 3HG1 ILE 74 7.089 -13.935 11.057 580 1HG2 ILE 74 1HG2 ILE 74 8.782 -13.516 12.714 581 2HG2 ILE 74 2HG2 ILE 74 8.948 -11.942 13.496 582 3HG2 ILE 74 3HG2 ILE 74 7.695 -13.064 14.047 583 1HD1 ILE 74 1HD1 ILE 74 6.005 -14.400 13.252 584 2HD1 ILE 74 2HD1 ILE 74 4.718 -13.237 12.850 585 3HD1 ILE 74 3HD1 ILE 74 4.927 -14.702 11.882 586 H GLU 75 H GLU 75 7.825 -9.434 11.449 587 HA GLU 75 HA GLU 75 9.081 -7.622 11.678 588 1HB GLU 75 2HB GLU 75 7.309 -6.936 13.575 589 2HB GLU 75 3HB GLU 75 8.684 -7.257 14.636 590 1HG GLU 75 2HG GLU 75 10.036 -5.625 13.382 591 2HG GLU 75 3HG GLU 75 8.727 -5.391 12.206 Start of MODEL 24 1 1H MET 1 H1 MET 1 -4.366 -17.902 -8.491 2 2H MET 1 H2 MET 1 -3.184 -16.777 -8.173 3 3H MET 1 H3 MET 1 -3.557 -17.936 -7.046 4 HA MET 1 HA MET 1 -4.411 -15.537 -6.854 5 1HB MET 1 2HB MET 1 -6.641 -17.138 -8.237 6 2HB MET 1 3HB MET 1 -6.827 -15.548 -7.475 7 1HG MET 1 2HG MET 1 -5.119 -14.627 -9.050 8 2HG MET 1 3HG MET 1 -5.116 -16.187 -9.896 9 1HE MET 1 1HE MET 1 -5.475 -14.972 -12.137 10 2HE MET 1 2HE MET 1 -6.778 -13.788 -12.420 11 3HE MET 1 3HE MET 1 -5.479 -13.429 -11.254 12 H GLY 2 H GLY 2 -6.560 -15.655 -5.315 13 1HA GLY 2 2HA GLY 2 -7.620 -17.673 -3.973 14 2HA GLY 2 1HA GLY 2 -5.972 -17.784 -3.320 15 H ASP 3 H ASP 3 -5.018 -15.815 -2.366 16 HA ASP 3 HA ASP 3 -6.518 -13.446 -2.178 17 1HB ASP 3 2HB ASP 3 -7.500 -14.800 -0.203 18 2HB ASP 3 3HB ASP 3 -5.889 -14.738 0.532 19 H GLY 4 H GLY 4 -5.129 -11.866 -0.897 20 1HA GLY 4 2HA GLY 4 -2.352 -12.547 -0.326 21 2HA GLY 4 1HA GLY 4 -2.533 -11.460 -1.714 22 H VAL 5 H VAL 5 -2.427 -11.652 1.658 23 HA VAL 5 HA VAL 5 -3.726 -8.998 2.101 24 HB VAL 5 HB VAL 5 -4.960 -10.564 3.260 25 1HG1 VAL 5 1HG1 VAL 5 -4.076 -12.252 4.836 26 2HG1 VAL 5 2HG1 VAL 5 -3.635 -12.590 3.164 27 3HG1 VAL 5 3HG1 VAL 5 -2.429 -11.917 4.283 28 1HG2 VAL 5 1HG2 VAL 5 -4.749 -9.907 5.525 29 2HG2 VAL 5 2HG2 VAL 5 -2.999 -9.663 5.400 30 3HG2 VAL 5 3HG2 VAL 5 -4.105 -8.559 4.564 31 H LEU 6 H LEU 6 -2.056 -7.613 1.750 32 HA LEU 6 HA LEU 6 0.548 -8.129 3.123 33 1HB LEU 6 2HB LEU 6 0.558 -8.088 0.648 34 2HB LEU 6 3HB LEU 6 -0.090 -6.446 0.680 35 HG LEU 6 HG LEU 6 2.024 -5.806 1.975 36 1HD1 LEU 6 1HD1 LEU 6 2.871 -8.613 1.121 37 2HD1 LEU 6 2HD1 LEU 6 3.974 -7.352 1.704 38 3HD1 LEU 6 3HD1 LEU 6 2.750 -8.015 2.790 39 1HD2 LEU 6 1HD2 LEU 6 2.301 -7.003 -0.817 40 2HD2 LEU 6 2HD2 LEU 6 1.726 -5.371 -0.435 41 3HD2 LEU 6 3HD2 LEU 6 3.410 -5.809 -0.100 42 H GLU 7 H GLU 7 0.306 -7.140 5.076 43 HA GLU 7 HA GLU 7 -0.904 -4.430 5.232 44 1HB GLU 7 2HB GLU 7 -1.628 -6.506 6.650 45 2HB GLU 7 3HB GLU 7 -0.204 -6.109 7.628 46 1HG GLU 7 2HG GLU 7 -1.121 -3.850 8.015 47 2HG GLU 7 3HG GLU 7 -2.438 -4.160 6.881 48 H LEU 8 H LEU 8 0.667 -3.082 4.524 49 HA LEU 8 HA LEU 8 3.446 -3.378 5.550 50 1HB LEU 8 2HB LEU 8 2.263 -1.218 3.754 51 2HB LEU 8 3HB LEU 8 3.948 -1.435 4.171 52 HG LEU 8 HG LEU 8 3.905 -2.210 2.057 53 1HD1 LEU 8 1HD1 LEU 8 3.419 -4.779 3.617 54 2HD1 LEU 8 2HD1 LEU 8 4.279 -4.608 2.075 55 3HD1 LEU 8 3HD1 LEU 8 4.950 -3.880 3.545 56 1HD2 LEU 8 1HD2 LEU 8 1.284 -3.669 2.509 57 2HD2 LEU 8 2HD2 LEU 8 1.498 -2.103 1.708 58 3HD2 LEU 8 3HD2 LEU 8 2.206 -3.553 0.995 59 H VAL 9 H VAL 9 4.440 -1.647 6.662 60 HA VAL 9 HA VAL 9 2.703 0.376 7.887 61 HB VAL 9 HB VAL 9 5.333 -0.738 8.632 62 1HG1 VAL 9 1HG1 VAL 9 6.248 1.384 7.778 63 2HG1 VAL 9 2HG1 VAL 9 5.018 2.296 8.695 64 3HG1 VAL 9 3HG1 VAL 9 6.260 1.360 9.544 65 1HG2 VAL 9 1HG2 VAL 9 3.194 -0.624 10.016 66 2HG2 VAL 9 2HG2 VAL 9 4.651 -0.007 10.827 67 3HG2 VAL 9 3HG2 VAL 9 3.469 1.131 10.167 68 H VAL 10 H VAL 10 2.959 2.532 7.155 69 HA VAL 10 HA VAL 10 4.763 3.085 4.888 70 HB VAL 10 HB VAL 10 2.803 4.327 3.790 71 1HG1 VAL 10 1HG1 VAL 10 2.752 1.275 3.755 72 2HG1 VAL 10 2HG1 VAL 10 2.153 2.368 2.492 73 3HG1 VAL 10 3HG1 VAL 10 3.886 2.298 2.862 74 1HG2 VAL 10 1HG2 VAL 10 0.578 3.519 4.189 75 2HG2 VAL 10 2HG2 VAL 10 1.181 2.220 5.238 76 3HG2 VAL 10 3HG2 VAL 10 1.223 3.893 5.798 77 H ARG 11 H ARG 11 5.623 5.094 4.944 78 HA ARG 11 HA ARG 11 4.491 7.048 6.854 79 1HB ARG 11 2HB ARG 11 6.460 7.366 8.064 80 2HB ARG 11 3HB ARG 11 6.103 5.645 8.144 81 1HG ARG 11 2HG ARG 11 7.872 5.168 6.509 82 2HG ARG 11 3HG ARG 11 8.143 6.908 6.253 83 1HD ARG 11 2HD ARG 11 8.630 7.072 8.753 84 2HD ARG 11 3HD ARG 11 8.750 5.295 8.751 85 HE ARG 11 HE ARG 11 10.440 5.891 6.720 86 1HH1 ARG 11 2HH2 ARG 11 10.380 6.991 10.043 87 2HH1 ARG 11 1HH2 ARG 11 11.922 7.796 9.963 88 1HH2 ARG 11 2HH1 ARG 11 12.293 7.151 6.475 89 2HH2 ARG 11 1HH1 ARG 11 13.125 7.775 7.874 90 H GLY 12 H GLY 12 5.663 9.150 6.742 91 1HA GLY 12 2HA GLY 12 6.501 10.897 5.391 92 2HA GLY 12 1HA GLY 12 6.392 9.884 3.949 93 H MET 13 H MET 13 3.631 9.059 5.455 94 HA MET 13 HA MET 13 1.973 10.679 3.773 95 1HB MET 13 2HB MET 13 1.245 8.672 5.932 96 2HB MET 13 3HB MET 13 0.166 9.327 4.685 97 1HG MET 13 2HG MET 13 1.878 8.402 2.965 98 2HG MET 13 3HG MET 13 2.564 7.499 4.322 99 1HE MET 13 1HE MET 13 -0.601 7.130 5.756 100 2HE MET 13 2HE MET 13 -0.651 5.403 5.349 101 3HE MET 13 3HE MET 13 0.856 6.128 5.968 102 H THR 14 H THR 14 2.754 12.686 4.710 103 HA THR 14 HA THR 14 2.482 13.440 7.363 104 HB THR 14 HB THR 14 3.916 14.515 5.746 105 HG1 THR 14 1HG THR 14 3.554 16.635 6.446 106 1HG2 THR 14 1HG2 THR 14 3.119 16.174 4.146 107 2HG2 THR 14 2HG2 THR 14 2.403 14.600 3.778 108 3HG2 THR 14 3HG2 THR 14 1.434 15.851 4.589 109 H CYS 15 H CYS 15 -0.084 13.668 4.848 110 HA CYS 15 HA CYS 15 -1.992 14.509 6.949 111 1HB CYS 15 2HB CYS 15 -2.776 16.382 5.581 112 2HB CYS 15 3HB CYS 15 -1.077 16.585 5.996 113 H ALA 16 H ALA 16 -4.212 14.523 6.088 114 HA ALA 16 HA ALA 16 -5.146 12.097 5.326 115 1HB ALA 16 1HB ALA 16 -7.208 13.243 4.563 116 2HB ALA 16 2HB ALA 16 -6.594 13.956 6.074 117 3HB ALA 16 3HB ALA 16 -6.344 14.788 4.518 118 H SER 17 H SER 17 -4.353 14.758 3.051 119 HA SER 17 HA SER 17 -5.207 13.787 0.686 120 1HB SER 17 2HB SER 17 -2.561 15.189 1.174 121 2HB SER 17 3HB SER 17 -3.515 15.196 -0.326 122 HG SER 17 HG SER 17 -5.233 16.150 0.923 123 H CYS 18 H CYS 18 -2.257 12.750 2.422 124 HA CYS 18 HA CYS 18 -0.988 11.393 0.309 125 1HB CYS 18 2HB CYS 18 -0.918 10.949 3.299 126 2HB CYS 18 3HB CYS 18 0.209 10.241 2.146 127 H VAL 19 H VAL 19 -3.650 10.375 2.447 128 HA VAL 19 HA VAL 19 -3.382 7.573 2.132 129 HB VAL 19 HB VAL 19 -5.866 9.281 2.610 130 1HG1 VAL 19 1HG1 VAL 19 -6.844 7.194 3.558 131 2HG1 VAL 19 2HG1 VAL 19 -6.586 7.089 1.813 132 3HG1 VAL 19 3HG1 VAL 19 -5.456 6.291 2.923 133 1HG2 VAL 19 1HG2 VAL 19 -4.033 7.762 4.523 134 2HG2 VAL 19 2HG2 VAL 19 -4.127 9.528 4.369 135 3HG2 VAL 19 3HG2 VAL 19 -5.519 8.622 4.975 136 H HIS 20 H HIS 20 -5.523 9.829 0.384 137 HA HIS 20 HA HIS 20 -6.141 7.821 -1.627 138 1HB HIS 20 2HB HIS 20 -7.472 9.419 -2.752 139 2HB HIS 20 3HB HIS 20 -7.856 9.368 -1.036 140 HD1 HIS 20 1HD HIS 20 -7.482 11.823 -3.658 141 HD2 HIS 20 2HD HIS 20 -6.647 11.497 0.444 142 HE1 HIS 20 1HE HIS 20 -7.507 14.201 -2.697 143 H LYS 21 H LYS 21 -3.752 10.461 -1.355 144 HA LYS 21 HA LYS 21 -2.840 10.543 -3.994 145 1HB LYS 21 2HB LYS 21 -1.924 11.771 -1.875 146 2HB LYS 21 3HB LYS 21 -0.902 10.331 -1.681 147 1HG LYS 21 2HG LYS 21 -0.208 10.790 -4.143 148 2HG LYS 21 3HG LYS 21 -0.965 12.378 -3.901 149 1HD LYS 21 2HD LYS 21 0.519 12.658 -1.838 150 2HD LYS 21 3HD LYS 21 1.323 11.146 -2.297 151 1HE LYS 21 2HE LYS 21 1.876 12.266 -4.557 152 2HE LYS 21 3HE LYS 21 1.275 13.771 -3.842 153 1HZ LYS 21 1HZ LYS 21 3.020 13.337 -2.066 154 2HZ LYS 21 2HZ LYS 21 3.671 12.223 -3.106 155 3HZ LYS 21 3HZ LYS 21 3.562 13.764 -3.560 156 H ILE 22 H ILE 22 -2.091 8.110 -1.421 157 HA ILE 22 HA ILE 22 -0.755 6.333 -3.312 158 HB ILE 22 HB ILE 22 -1.948 5.696 -0.587 159 1HG1 ILE 22 2HG1 ILE 22 0.842 6.391 -1.557 160 2HG1 ILE 22 3HG1 ILE 22 -0.203 7.325 -0.462 161 1HG2 ILE 22 1HG2 ILE 22 -0.550 3.643 -0.767 162 2HG2 ILE 22 2HG2 ILE 22 -1.745 3.673 -2.051 163 3HG2 ILE 22 3HG2 ILE 22 -0.066 4.119 -2.411 164 1HD1 ILE 22 1HD1 ILE 22 -0.095 5.382 1.153 165 2HD1 ILE 22 2HD1 ILE 22 1.221 4.730 0.167 166 3HD1 ILE 22 3HD1 ILE 22 1.401 6.309 0.931 167 H GLU 23 H GLU 23 -3.923 5.847 -1.583 168 HA GLU 23 HA GLU 23 -4.350 3.556 -3.086 169 1HB GLU 23 2HB GLU 23 -5.521 3.832 -1.015 170 2HB GLU 23 3HB GLU 23 -6.456 5.212 -1.629 171 1HG GLU 23 2HG GLU 23 -7.658 3.865 -3.166 172 2HG GLU 23 3HG GLU 23 -6.480 2.550 -3.064 173 H SER 24 H SER 24 -5.651 6.822 -3.816 174 HA SER 24 HA SER 24 -7.296 5.897 -5.988 175 1HB SER 24 2HB SER 24 -7.650 8.048 -4.778 176 2HB SER 24 3HB SER 24 -6.195 8.707 -5.554 177 HG SER 24 HG SER 24 -7.351 7.962 -7.584 178 H SER 25 H SER 25 -3.850 6.619 -5.696 179 HA SER 25 HA SER 25 -3.431 6.650 -8.606 180 1HB SER 25 2HB SER 25 -1.908 7.874 -7.087 181 2HB SER 25 3HB SER 25 -1.386 6.344 -6.370 182 HG SER 25 HG SER 25 -0.006 6.977 -8.059 183 H LEU 26 H LEU 26 -2.441 4.401 -5.929 184 HA LEU 26 HA LEU 26 -1.470 2.425 -7.540 185 1HB LEU 26 2HB LEU 26 -0.870 2.728 -5.286 186 2HB LEU 26 3HB LEU 26 -2.541 2.536 -4.724 187 HG LEU 26 HG LEU 26 -2.509 0.186 -5.298 188 1HD1 LEU 26 1HD1 LEU 26 -0.878 0.154 -7.184 189 2HD1 LEU 26 2HD1 LEU 26 0.399 0.658 -6.067 190 3HD1 LEU 26 3HD1 LEU 26 -0.339 -0.938 -5.900 191 1HD2 LEU 26 1HD2 LEU 26 -0.959 -0.484 -3.492 192 2HD2 LEU 26 2HD2 LEU 26 -0.071 1.044 -3.697 193 3HD2 LEU 26 3HD2 LEU 26 -1.717 1.072 -3.070 194 H THR 27 H THR 27 -4.877 2.861 -6.498 195 HA THR 27 HA THR 27 -5.763 0.272 -7.215 196 HB THR 27 HB THR 27 -7.306 2.890 -7.212 197 HG1 THR 27 1HG THR 27 -6.498 2.505 -5.238 198 1HG2 THR 27 1HG2 THR 27 -8.615 1.166 -8.406 199 2HG2 THR 27 2HG2 THR 27 -8.253 -0.013 -7.124 200 3HG2 THR 27 3HG2 THR 27 -9.263 1.404 -6.776 201 H LYS 28 H LYS 28 -4.679 2.830 -9.346 202 HA LYS 28 HA LYS 28 -5.978 1.976 -11.715 203 1HB LYS 28 2HB LYS 28 -4.309 3.141 -12.918 204 2HB LYS 28 3HB LYS 28 -4.596 4.046 -11.425 205 1HG LYS 28 2HG LYS 28 -2.596 2.684 -10.489 206 2HG LYS 28 3HG LYS 28 -2.204 2.293 -12.161 207 1HD LYS 28 2HD LYS 28 -2.442 5.085 -10.935 208 2HD LYS 28 3HD LYS 28 -0.935 4.203 -11.214 209 1HE LYS 28 2HE LYS 28 -1.408 4.189 -13.673 210 2HE LYS 28 3HE LYS 28 -2.899 5.105 -13.383 211 1HZ LYS 28 1HZ LYS 28 -0.173 6.035 -12.758 212 2HZ LYS 28 2HZ LYS 28 -1.100 6.540 -14.020 213 3HZ LYS 28 3HZ LYS 28 -1.557 6.879 -12.476 214 H HIS 29 H HIS 29 -3.545 0.299 -9.781 215 HA HIS 29 HA HIS 29 -2.823 -1.542 -12.004 216 1HB HIS 29 2HB HIS 29 -1.949 -1.488 -9.085 217 2HB HIS 29 3HB HIS 29 -1.383 -2.567 -10.362 218 HD1 HIS 29 1HD HIS 29 0.970 -1.828 -11.147 219 HD2 HIS 29 2HD HIS 29 -1.373 1.244 -9.542 220 HE1 HIS 29 1HE HIS 29 2.457 0.246 -10.989 221 H ARG 30 H ARG 30 -4.884 -2.631 -12.318 222 HA ARG 30 HA ARG 30 -6.560 -3.368 -10.138 223 1HB ARG 30 2HB ARG 30 -6.496 -4.384 -13.008 224 2HB ARG 30 3HB ARG 30 -7.699 -4.849 -11.815 225 1HG ARG 30 2HG ARG 30 -8.818 -3.192 -12.909 226 2HG ARG 30 3HG ARG 30 -8.233 -2.386 -11.456 227 1HD ARG 30 2HD ARG 30 -7.995 -0.950 -13.413 228 2HD ARG 30 3HD ARG 30 -6.422 -1.354 -12.749 229 HE ARG 30 HE ARG 30 -7.424 -3.130 -14.877 230 1HH1 ARG 30 2HH2 ARG 30 -5.294 -0.348 -14.216 231 2HH1 ARG 30 1HH2 ARG 30 -4.767 -0.201 -15.858 232 1HH2 ARG 30 2HH1 ARG 30 -6.594 -3.023 -17.011 233 2HH2 ARG 30 1HH1 ARG 30 -5.427 -1.819 -17.444 234 H GLY 31 H GLY 31 -3.584 -4.649 -10.459 235 1HA GLY 31 2HA GLY 31 -4.152 -7.420 -9.736 236 2HA GLY 31 1HA GLY 31 -2.615 -6.536 -9.569 237 H ILE 32 H ILE 32 -4.122 -4.234 -8.167 238 HA ILE 32 HA ILE 32 -4.147 -5.441 -5.495 239 HB ILE 32 HB ILE 32 -4.094 -3.348 -4.612 240 1HG1 ILE 32 2HG1 ILE 32 -4.251 -1.219 -5.965 241 2HG1 ILE 32 3HG1 ILE 32 -5.070 -2.143 -7.223 242 1HG2 ILE 32 1HG2 ILE 32 -2.198 -2.279 -5.507 243 2HG2 ILE 32 2HG2 ILE 32 -2.020 -4.025 -5.674 244 3HG2 ILE 32 3HG2 ILE 32 -2.427 -3.030 -7.097 245 1HD1 ILE 32 1HD1 ILE 32 -6.079 -2.278 -4.377 246 2HD1 ILE 32 2HD1 ILE 32 -6.425 -0.852 -5.355 247 3HD1 ILE 32 3HD1 ILE 32 -6.982 -2.428 -5.903 248 H LEU 33 H LEU 33 -6.012 -5.518 -4.281 249 HA LEU 33 HA LEU 33 -8.625 -5.369 -5.717 250 1HB LEU 33 2HB LEU 33 -7.856 -6.816 -3.159 251 2HB LEU 33 3HB LEU 33 -9.431 -6.867 -3.951 252 HG LEU 33 HG LEU 33 -6.839 -7.883 -5.221 253 1HD1 LEU 33 1HD1 LEU 33 -7.415 -9.201 -3.229 254 2HD1 LEU 33 2HD1 LEU 33 -9.064 -9.439 -3.854 255 3HD1 LEU 33 3HD1 LEU 33 -7.670 -10.129 -4.716 256 1HD2 LEU 33 1HD2 LEU 33 -8.373 -9.045 -6.782 257 2HD2 LEU 33 2HD2 LEU 33 -9.754 -8.205 -6.046 258 3HD2 LEU 33 3HD2 LEU 33 -8.502 -7.289 -6.917 259 H TYR 34 H TYR 34 -6.849 -4.416 -2.703 260 HA TYR 34 HA TYR 34 -8.351 -1.939 -2.709 261 1HB TYR 34 2HB TYR 34 -9.786 -3.682 -1.361 262 2HB TYR 34 3HB TYR 34 -8.448 -3.651 -0.193 263 HD1 TYR 34 HD1 TYR 34 -8.766 -2.195 1.629 264 HD2 TYR 34 HD2 TYR 34 -10.542 -1.180 -2.164 265 HE1 TYR 34 HE1 TYR 34 -9.313 0.078 2.469 266 HE2 TYR 34 HE2 TYR 34 -10.956 1.119 -1.351 267 HH TYR 34 HH TYR 34 -9.661 2.610 0.342 268 H CYS 35 H CYS 35 -7.280 -0.274 -1.348 269 HA CYS 35 HA CYS 35 -4.715 -1.162 -0.070 270 1HB CYS 35 2HB CYS 35 -5.236 1.313 -1.739 271 2HB CYS 35 3HB CYS 35 -3.713 0.872 -0.962 272 HG CYS 35 HG CYS 35 -3.760 0.601 -3.611 273 H SER 36 H SER 36 -5.941 -1.216 1.979 274 HA SER 36 HA SER 36 -7.240 1.266 2.837 275 1HB SER 36 2HB SER 36 -7.808 -1.215 3.581 276 2HB SER 36 3HB SER 36 -6.544 -0.926 4.768 277 HG SER 36 HG SER 36 -8.777 0.771 4.388 278 H VAL 37 H VAL 37 -5.444 2.560 2.364 279 HA VAL 37 HA VAL 37 -3.032 2.595 3.992 280 HB VAL 37 HB VAL 37 -4.293 4.523 2.015 281 1HG1 VAL 37 1HG1 VAL 37 -1.510 4.561 3.238 282 2HG1 VAL 37 2HG1 VAL 37 -2.122 5.643 1.965 283 3HG1 VAL 37 3HG1 VAL 37 -2.786 5.749 3.595 284 1HG2 VAL 37 1HG2 VAL 37 -3.465 2.309 1.090 285 2HG2 VAL 37 2HG2 VAL 37 -2.610 3.720 0.479 286 3HG2 VAL 37 3HG2 VAL 37 -1.860 2.703 1.725 287 H ALA 38 H ALA 38 -2.655 3.818 5.850 288 HA ALA 38 HA ALA 38 -4.354 6.111 6.424 289 1HB ALA 38 1HB ALA 38 -4.846 5.400 8.754 290 2HB ALA 38 2HB ALA 38 -5.680 4.351 7.563 291 3HB ALA 38 3HB ALA 38 -4.171 3.817 8.355 292 H LEU 39 H LEU 39 -3.516 7.373 8.030 293 HA LEU 39 HA LEU 39 -0.556 7.181 8.337 294 1HB LEU 39 2HB LEU 39 -0.478 9.556 8.563 295 2HB LEU 39 3HB LEU 39 -1.302 9.078 7.088 296 HG LEU 39 HG LEU 39 -3.505 9.447 8.595 297 1HD1 LEU 39 1HD1 LEU 39 -2.202 10.078 10.677 298 2HD1 LEU 39 2HD1 LEU 39 -1.474 11.411 9.769 299 3HD1 LEU 39 3HD1 LEU 39 -3.220 11.392 10.078 300 1HD2 LEU 39 1HD2 LEU 39 -1.854 11.659 7.311 301 2HD2 LEU 39 2HD2 LEU 39 -2.995 10.585 6.476 302 3HD2 LEU 39 3HD2 LEU 39 -3.590 11.742 7.677 303 H ALA 40 H ALA 40 -3.585 7.677 10.132 304 HA ALA 40 HA ALA 40 -2.684 8.220 12.661 305 1HB ALA 40 1HB ALA 40 -4.739 7.121 13.464 306 2HB ALA 40 2HB ALA 40 -5.053 8.095 12.014 307 3HB ALA 40 3HB ALA 40 -4.943 6.323 11.890 308 H THR 41 H THR 41 -2.631 5.034 11.080 309 HA THR 41 HA THR 41 -0.992 3.976 13.356 310 HB THR 41 HB THR 41 -2.389 2.249 11.358 311 HG1 THR 41 1HG THR 41 -3.620 3.626 13.439 312 1HG2 THR 41 1HG2 THR 41 -1.735 1.789 14.281 313 2HG2 THR 41 2HG2 THR 41 -2.611 0.647 13.236 314 3HG2 THR 41 3HG2 THR 41 -0.938 1.052 12.870 315 H ASN 42 H ASN 42 -0.469 5.432 10.583 316 HA ASN 42 HA ASN 42 0.773 5.113 8.689 317 1HB ASN 42 2HB ASN 42 2.521 4.317 11.077 318 2HB ASN 42 3HB ASN 42 3.219 4.384 9.454 319 1HD2 ASN 42 1HD2 ASN 42 2.443 6.278 8.135 320 2HD2 ASN 42 2HD2 ASN 42 2.123 7.812 8.956 321 H LYS 43 H LYS 43 -0.914 3.378 8.242 322 HA LYS 43 HA LYS 43 0.415 0.725 7.881 323 1HB LYS 43 2HB LYS 43 -1.786 -0.327 8.267 324 2HB LYS 43 3HB LYS 43 -1.139 0.483 9.691 325 1HG LYS 43 2HG LYS 43 -2.564 2.472 9.152 326 2HG LYS 43 3HG LYS 43 -3.270 1.606 7.776 327 1HD LYS 43 2HD LYS 43 -4.277 -0.032 9.172 328 2HD LYS 43 3HD LYS 43 -3.324 0.472 10.578 329 1HE LYS 43 2HE LYS 43 -4.573 2.795 10.169 330 2HE LYS 43 3HE LYS 43 -5.751 1.763 9.338 331 1HZ LYS 43 1HZ LYS 43 -4.841 1.795 12.135 332 2HZ LYS 43 2HZ LYS 43 -6.372 2.009 11.590 333 3HZ LYS 43 3HZ LYS 43 -5.712 0.498 11.545 334 H ALA 44 H ALA 44 -0.372 -0.484 6.198 335 HA ALA 44 HA ALA 44 -2.351 0.599 4.330 336 1HB ALA 44 1HB ALA 44 -1.073 0.359 2.347 337 2HB ALA 44 2HB ALA 44 -0.265 1.537 3.381 338 3HB ALA 44 3HB ALA 44 0.382 -0.118 3.241 339 H HIS 45 H HIS 45 -3.693 -0.975 4.830 340 HA HIS 45 HA HIS 45 -2.841 -3.808 4.560 341 1HB HIS 45 2HB HIS 45 -4.435 -3.038 6.349 342 2HB HIS 45 3HB HIS 45 -5.608 -2.749 5.065 343 HD1 HIS 45 1HD HIS 45 -4.903 -5.356 7.409 344 HD2 HIS 45 2HD HIS 45 -5.598 -5.097 3.280 345 HE1 HIS 45 1HE HIS 45 -5.883 -7.618 6.698 346 H ILE 46 H ILE 46 -2.182 -4.020 2.487 347 HA ILE 46 HA ILE 46 -3.989 -3.277 0.290 348 HB ILE 46 HB ILE 46 -1.111 -4.173 0.406 349 1HG1 ILE 46 2HG1 ILE 46 -0.834 -2.305 -1.178 350 2HG1 ILE 46 3HG1 ILE 46 -2.575 -2.030 -1.201 351 1HG2 ILE 46 1HG2 ILE 46 -2.022 -5.683 -1.253 352 2HG2 ILE 46 2HG2 ILE 46 -3.005 -4.382 -1.974 353 3HG2 ILE 46 3HG2 ILE 46 -1.243 -4.362 -2.116 354 1HD1 ILE 46 1HD1 ILE 46 -2.530 -1.254 1.104 355 2HD1 ILE 46 2HD1 ILE 46 -0.829 -1.764 1.268 356 3HD1 ILE 46 3HD1 ILE 46 -1.267 -0.422 0.182 357 H LYS 47 H LYS 47 -5.413 -4.678 -0.381 358 HA LYS 47 HA LYS 47 -5.037 -7.611 0.035 359 1HB LYS 47 2HB LYS 47 -7.471 -5.881 -0.445 360 2HB LYS 47 3HB LYS 47 -7.474 -7.605 -0.846 361 1HG LYS 47 2HG LYS 47 -6.494 -6.762 1.883 362 2HG LYS 47 3HG LYS 47 -8.231 -6.716 1.597 363 1HD LYS 47 2HD LYS 47 -6.585 -9.185 0.912 364 2HD LYS 47 3HD LYS 47 -7.162 -8.903 2.562 365 1HE LYS 47 2HE LYS 47 -9.441 -9.042 1.974 366 2HE LYS 47 3HE LYS 47 -9.136 -8.702 0.266 367 1HZ LYS 47 1HZ LYS 47 -8.069 -10.851 0.069 368 2HZ LYS 47 2HZ LYS 47 -8.359 -11.271 1.554 369 3HZ LYS 47 3HZ LYS 47 -9.637 -11.017 0.547 370 H TYR 48 H TYR 48 -4.375 -8.668 -1.860 371 HA TYR 48 HA TYR 48 -4.754 -7.426 -4.493 372 1HB TYR 48 2HB TYR 48 -2.480 -7.156 -5.014 373 2HB TYR 48 3HB TYR 48 -2.714 -6.300 -3.505 374 HD1 TYR 48 HD1 TYR 48 -2.268 -8.055 -1.320 375 HD2 TYR 48 HD2 TYR 48 -0.447 -8.245 -5.223 376 HE1 TYR 48 HE1 TYR 48 -0.555 -9.625 -0.473 377 HE2 TYR 48 HE2 TYR 48 1.513 -9.365 -4.238 378 HH TYR 48 HH TYR 48 2.291 -10.551 -2.416 379 H ASP 49 H ASP 49 -3.979 -8.898 -6.242 380 HA ASP 49 HA ASP 49 -4.052 -11.734 -5.363 381 1HB ASP 49 2HB ASP 49 -4.689 -10.356 -7.901 382 2HB ASP 49 3HB ASP 49 -3.783 -11.864 -8.071 383 HA PRO 50 HA PRO 50 0.359 -11.166 -5.270 384 1HB PRO 50 2HB PRO 50 1.143 -13.474 -4.078 385 2HB PRO 50 3HB PRO 50 0.062 -12.323 -3.247 386 1HG PRO 50 2HG PRO 50 -0.780 -14.765 -4.845 387 2HG PRO 50 3HG PRO 50 -1.215 -14.371 -3.152 388 1HD PRO 50 2HD PRO 50 -2.849 -13.711 -5.225 389 2HD PRO 50 3HD PRO 50 -2.626 -12.600 -3.839 390 H GLU 51 H GLU 51 -0.129 -11.291 -7.738 391 HA GLU 51 HA GLU 51 1.929 -12.854 -9.015 392 1HB GLU 51 2HB GLU 51 0.418 -14.206 -10.476 393 2HB GLU 51 3HB GLU 51 0.407 -14.683 -8.782 394 1HG GLU 51 2HG GLU 51 -1.746 -13.207 -8.567 395 2HG GLU 51 3HG GLU 51 -1.775 -13.273 -10.341 396 H ILE 52 H ILE 52 -1.156 -11.099 -9.441 397 HA ILE 52 HA ILE 52 -0.453 -9.960 -11.994 398 HB ILE 52 HB ILE 52 -2.405 -8.879 -9.941 399 1HG1 ILE 52 2HG1 ILE 52 -2.774 -11.011 -12.072 400 2HG1 ILE 52 3HG1 ILE 52 -2.962 -11.182 -10.318 401 1HG2 ILE 52 1HG2 ILE 52 -1.854 -7.317 -11.830 402 2HG2 ILE 52 2HG2 ILE 52 -2.253 -8.598 -12.990 403 3HG2 ILE 52 3HG2 ILE 52 -3.506 -7.877 -11.965 404 1HD1 ILE 52 1HD1 ILE 52 -4.813 -9.652 -12.171 405 2HD1 ILE 52 2HD1 ILE 52 -5.149 -11.108 -11.233 406 3HD1 ILE 52 3HD1 ILE 52 -4.885 -9.577 -10.389 407 H ILE 53 H ILE 53 0.245 -9.048 -8.617 408 HA ILE 53 HA ILE 53 2.134 -7.087 -9.604 409 HB ILE 53 HB ILE 53 -0.083 -5.856 -9.294 410 1HG1 ILE 53 2HG1 ILE 53 2.056 -5.015 -7.327 411 2HG1 ILE 53 3HG1 ILE 53 2.257 -4.898 -9.091 412 1HG2 ILE 53 1HG2 ILE 53 -0.859 -7.213 -7.311 413 2HG2 ILE 53 2HG2 ILE 53 0.333 -6.317 -6.331 414 3HG2 ILE 53 3HG2 ILE 53 -0.994 -5.465 -7.134 415 1HD1 ILE 53 1HD1 ILE 53 1.514 -2.751 -8.214 416 2HD1 ILE 53 2HD1 ILE 53 0.284 -3.488 -9.262 417 3HD1 ILE 53 3HD1 ILE 53 0.074 -3.500 -7.495 418 H GLY 54 H GLY 54 3.954 -7.163 -8.330 419 1HA GLY 54 2HA GLY 54 4.025 -9.150 -6.194 420 2HA GLY 54 1HA GLY 54 5.370 -8.219 -6.873 421 HA PRO 55 HA PRO 55 3.823 -6.408 -2.705 422 1HB PRO 55 2HB PRO 55 5.900 -7.227 -1.078 423 2HB PRO 55 3HB PRO 55 4.389 -8.148 -1.309 424 1HG PRO 55 2HG PRO 55 7.032 -8.586 -2.707 425 2HG PRO 55 3HG PRO 55 5.963 -9.803 -1.958 426 1HD PRO 55 2HD PRO 55 5.922 -9.336 -4.635 427 2HD PRO 55 3HD PRO 55 4.407 -9.669 -3.749 428 H ARG 56 H ARG 56 7.159 -6.859 -4.020 429 HA ARG 56 HA ARG 56 7.989 -4.260 -3.165 430 1HB ARG 56 2HB ARG 56 9.290 -6.473 -4.299 431 2HB ARG 56 3HB ARG 56 9.537 -5.166 -5.457 432 1HG ARG 56 2HG ARG 56 10.010 -4.891 -2.449 433 2HG ARG 56 3HG ARG 56 11.264 -5.429 -3.562 434 1HD ARG 56 2HD ARG 56 11.580 -3.376 -4.524 435 2HD ARG 56 3HD ARG 56 9.898 -2.869 -4.290 436 HE ARG 56 HE ARG 56 11.101 -3.036 -1.740 437 1HH1 ARG 56 2HH2 ARG 56 11.444 -1.087 -4.713 438 2HH1 ARG 56 1HH2 ARG 56 11.325 0.430 -3.857 439 1HH2 ARG 56 2HH1 ARG 56 11.163 -0.942 -0.622 440 2HH2 ARG 56 1HH1 ARG 56 11.048 0.502 -1.588 441 H ASP 57 H ASP 57 6.188 -5.337 -6.036 442 HA ASP 57 HA ASP 57 6.591 -2.923 -7.561 443 1HB ASP 57 2HB ASP 57 4.226 -4.812 -7.617 444 2HB ASP 57 3HB ASP 57 4.676 -3.639 -8.857 445 H ILE 58 H ILE 58 4.008 -4.069 -5.361 446 HA ILE 58 HA ILE 58 2.471 -1.685 -5.193 447 HB ILE 58 HB ILE 58 3.093 -3.931 -3.267 448 1HG1 ILE 58 2HG1 ILE 58 0.354 -3.133 -4.226 449 2HG1 ILE 58 3HG1 ILE 58 1.449 -3.899 -5.386 450 1HG2 ILE 58 1HG2 ILE 58 2.759 -2.059 -1.750 451 2HG2 ILE 58 2HG2 ILE 58 1.316 -1.541 -2.661 452 3HG2 ILE 58 3HG2 ILE 58 1.318 -3.064 -1.750 453 1HD1 ILE 58 1HD1 ILE 58 -0.009 -5.517 -4.154 454 2HD1 ILE 58 2HD1 ILE 58 1.737 -5.836 -4.030 455 3HD1 ILE 58 3HD1 ILE 58 0.870 -5.108 -2.666 456 H ILE 59 H ILE 59 5.264 -2.664 -3.081 457 HA ILE 59 HA ILE 59 5.368 -0.248 -1.690 458 HB ILE 59 HB ILE 59 7.497 -2.290 -2.320 459 1HG1 ILE 59 2HG1 ILE 59 6.097 -1.717 0.328 460 2HG1 ILE 59 3HG1 ILE 59 5.340 -2.769 -0.864 461 1HG2 ILE 59 1HG2 ILE 59 8.737 -1.236 -0.386 462 2HG2 ILE 59 2HG2 ILE 59 8.653 -0.247 -1.852 463 3HG2 ILE 59 3HG2 ILE 59 7.594 0.124 -0.487 464 1HD1 ILE 59 1HD1 ILE 59 7.291 -4.251 -0.877 465 2HD1 ILE 59 2HD1 ILE 59 8.071 -3.260 0.378 466 3HD1 ILE 59 3HD1 ILE 59 6.558 -4.114 0.730 467 H HIS 60 H HIS 60 7.144 -1.054 -4.735 468 HA HIS 60 HA HIS 60 8.532 1.356 -5.134 469 1HB HIS 60 2HB HIS 60 7.134 -0.450 -7.157 470 2HB HIS 60 3HB HIS 60 8.086 0.959 -7.599 471 HD1 HIS 60 1HD HIS 60 8.593 -2.593 -7.386 472 HD2 HIS 60 2HD HIS 60 10.730 0.864 -6.297 473 HE1 HIS 60 1HE HIS 60 11.024 -3.302 -7.100 474 H THR 61 H THR 61 5.073 0.540 -5.689 475 HA THR 61 HA THR 61 4.593 3.003 -7.128 476 HB THR 61 HB THR 61 2.538 1.239 -5.760 477 HG1 THR 61 1HG THR 61 3.885 0.050 -7.220 478 1HG2 THR 61 1HG2 THR 61 2.441 3.180 -8.122 479 2HG2 THR 61 2HG2 THR 61 1.109 2.128 -7.642 480 3HG2 THR 61 3HG2 THR 61 1.656 3.411 -6.544 481 H ILE 62 H ILE 62 4.104 1.885 -3.743 482 HA ILE 62 HA ILE 62 2.912 4.270 -2.724 483 HB ILE 62 HB ILE 62 4.543 2.022 -1.508 484 1HG1 ILE 62 2HG1 ILE 62 2.423 1.988 -0.004 485 2HG1 ILE 62 3HG1 ILE 62 1.713 3.080 -1.196 486 1HG2 ILE 62 1HG2 ILE 62 5.342 3.920 -0.173 487 2HG2 ILE 62 2HG2 ILE 62 3.692 4.579 -0.063 488 3HG2 ILE 62 3HG2 ILE 62 4.138 3.084 0.764 489 1HD1 ILE 62 1HD1 ILE 62 1.092 0.729 -1.563 490 2HD1 ILE 62 2HD1 ILE 62 2.030 1.355 -2.935 491 3HD1 ILE 62 3HD1 ILE 62 2.806 0.301 -1.719 492 H GLU 63 H GLU 63 6.371 3.253 -2.649 493 HA GLU 63 HA GLU 63 7.076 5.531 -1.233 494 1HB GLU 63 2HB GLU 63 9.376 4.858 -1.521 495 2HB GLU 63 3HB GLU 63 8.336 3.476 -1.196 496 1HG GLU 63 2HG GLU 63 8.330 3.094 -3.740 497 2HG GLU 63 3HG GLU 63 9.640 4.271 -3.816 498 H SER 64 H SER 64 6.990 5.013 -4.701 499 HA SER 64 HA SER 64 8.329 7.302 -5.618 500 1HB SER 64 2HB SER 64 5.909 5.886 -6.814 501 2HB SER 64 3HB SER 64 6.943 7.062 -7.650 502 HG SER 64 HG SER 64 7.678 4.512 -6.650 503 H LEU 65 H LEU 65 4.996 7.106 -4.216 504 HA LEU 65 HA LEU 65 4.157 9.591 -5.385 505 1HB LEU 65 2HB LEU 65 3.250 7.894 -3.063 506 2HB LEU 65 3HB LEU 65 2.612 9.526 -3.262 507 HG LEU 65 HG LEU 65 1.065 8.076 -4.103 508 1HD1 LEU 65 1HD1 LEU 65 0.654 8.876 -6.323 509 2HD1 LEU 65 2HD1 LEU 65 1.546 10.168 -5.502 510 3HD1 LEU 65 3HD1 LEU 65 2.377 9.106 -6.654 511 1HD2 LEU 65 1HD2 LEU 65 3.119 6.831 -5.930 512 2HD2 LEU 65 2HD2 LEU 65 2.362 6.106 -4.478 513 3HD2 LEU 65 3HD2 LEU 65 1.381 6.459 -5.910 514 H GLY 66 H GLY 66 5.216 8.943 -1.980 515 1HA GLY 66 2HA GLY 66 7.023 11.141 -2.141 516 2HA GLY 66 1HA GLY 66 5.628 11.616 -1.153 517 H PHE 67 H PHE 67 6.946 8.243 -1.239 518 HA PHE 67 HA PHE 67 6.860 8.577 1.752 519 1HB PHE 67 2HB PHE 67 5.344 6.581 0.052 520 2HB PHE 67 3HB PHE 67 5.178 6.806 1.788 521 HD1 PHE 67 1HD PHE 67 3.212 7.105 -0.832 522 HD2 PHE 67 2HD PHE 67 4.984 9.759 2.067 523 HE1 PHE 67 1HE PHE 67 1.401 8.762 -1.212 524 HE2 PHE 67 2HE PHE 67 3.183 11.394 1.683 525 HZ PHE 67 HZ PHE 67 1.356 10.873 0.085 526 H GLU 68 H GLU 68 7.004 6.375 2.828 527 HA GLU 68 HA GLU 68 9.036 4.605 1.572 528 1HB GLU 68 2HB GLU 68 8.958 5.470 4.490 529 2HB GLU 68 3HB GLU 68 10.022 4.241 3.803 530 1HG GLU 68 2HG GLU 68 11.220 5.964 2.518 531 2HG GLU 68 3HG GLU 68 10.112 7.215 3.122 532 H ALA 69 H ALA 69 8.789 2.409 2.481 533 HA ALA 69 HA ALA 69 6.444 1.968 4.182 534 1HB ALA 69 1HB ALA 69 6.945 0.301 1.678 535 2HB ALA 69 2HB ALA 69 5.554 0.188 2.770 536 3HB ALA 69 3HB ALA 69 5.754 1.611 1.723 537 H SER 70 H SER 70 6.414 -0.237 5.082 538 HA SER 70 HA SER 70 8.784 -1.871 4.909 539 1HB SER 70 2HB SER 70 9.482 -0.097 6.600 540 2HB SER 70 3HB SER 70 8.137 -0.642 7.624 541 HG SER 70 HG SER 70 10.467 -2.037 6.825 542 H LEU 71 H LEU 71 8.368 -3.613 6.875 543 HA LEU 71 HA LEU 71 5.488 -4.387 6.729 544 1HB LEU 71 2HB LEU 71 6.090 -6.696 6.440 545 2HB LEU 71 3HB LEU 71 6.533 -5.737 5.034 546 HG LEU 71 HG LEU 71 8.626 -6.398 7.148 547 1HD1 LEU 71 1HD1 LEU 71 9.171 -8.438 5.885 548 2HD1 LEU 71 2HD1 LEU 71 7.550 -8.526 6.587 549 3HD1 LEU 71 3HD1 LEU 71 7.746 -8.188 4.853 550 1HD2 LEU 71 1HD2 LEU 71 8.767 -5.950 4.126 551 2HD2 LEU 71 2HD2 LEU 71 9.318 -4.802 5.363 552 3HD2 LEU 71 3HD2 LEU 71 10.139 -6.350 5.176 553 H VAL 72 H VAL 72 4.681 -5.299 8.585 554 HA VAL 72 HA VAL 72 6.490 -5.993 10.794 555 HB VAL 72 HB VAL 72 6.214 -3.531 10.872 556 1HG1 VAL 72 1HG1 VAL 72 4.097 -2.511 11.531 557 2HG1 VAL 72 2HG1 VAL 72 3.944 -3.302 9.955 558 3HG1 VAL 72 3HG1 VAL 72 3.264 -4.069 11.407 559 1HG2 VAL 72 1HG2 VAL 72 4.892 -4.784 13.294 560 2HG2 VAL 72 2HG2 VAL 72 6.632 -4.858 12.936 561 3HG2 VAL 72 3HG2 VAL 72 5.836 -3.297 13.188 562 H LYS 73 H LYS 73 4.612 -7.401 9.016 563 HA LYS 73 HA LYS 73 2.454 -8.232 10.904 564 1HB LYS 73 2HB LYS 73 1.823 -7.460 8.598 565 2HB LYS 73 3HB LYS 73 2.765 -8.809 7.945 566 1HG LYS 73 2HG LYS 73 1.284 -10.349 9.426 567 2HG LYS 73 3HG LYS 73 0.317 -8.913 9.770 568 1HD LYS 73 2HD LYS 73 -0.715 -10.231 8.047 569 2HD LYS 73 3HD LYS 73 -0.212 -8.682 7.347 570 1HE LYS 73 2HE LYS 73 1.614 -9.720 6.140 571 2HE LYS 73 3HE LYS 73 1.593 -11.131 7.208 572 1HZ LYS 73 1HZ LYS 73 -0.571 -11.705 6.287 573 2HZ LYS 73 2HZ LYS 73 -0.347 -10.595 5.049 574 3HZ LYS 73 3HZ LYS 73 0.656 -11.908 5.341 575 H ILE 74 H ILE 74 3.401 -9.755 12.230 576 HA ILE 74 HA ILE 74 5.156 -11.873 11.218 577 HB ILE 74 HB ILE 74 3.549 -11.660 13.798 578 1HG1 ILE 74 2HG1 ILE 74 6.501 -11.119 13.203 579 2HG1 ILE 74 3HG1 ILE 74 5.277 -9.897 13.577 580 1HG2 ILE 74 1HG2 ILE 74 5.792 -13.585 13.027 581 2HG2 ILE 74 2HG2 ILE 74 4.967 -13.517 14.599 582 3HG2 ILE 74 3HG2 ILE 74 4.077 -14.020 13.175 583 1HD1 ILE 74 1HD1 ILE 74 6.356 -12.007 15.475 584 2HD1 ILE 74 2HD1 ILE 74 6.529 -10.250 15.562 585 3HD1 ILE 74 3HD1 ILE 74 4.935 -10.988 15.820 586 H GLU 75 H GLU 75 4.448 -13.887 10.361 587 HA GLU 75 HA GLU 75 1.793 -14.864 10.490 588 1HB GLU 75 2HB GLU 75 1.582 -12.935 8.858 589 2HB GLU 75 3HB GLU 75 2.840 -13.687 7.861 590 1HG GLU 75 2HG GLU 75 1.359 -15.578 7.396 591 2HG GLU 75 3HG GLU 75 0.160 -14.971 8.556 Start of MODEL 25 1 1H MET 1 H1 MET 1 -4.486 -17.603 -8.264 2 2H MET 1 H2 MET 1 -5.899 -17.403 -9.096 3 3H MET 1 H3 MET 1 -5.065 -16.154 -8.466 4 HA MET 1 HA MET 1 -6.742 -16.384 -6.869 5 1HB MET 1 2HB MET 1 -6.365 -19.393 -7.261 6 2HB MET 1 3HB MET 1 -7.366 -18.677 -5.996 7 1HG MET 1 2HG MET 1 -8.798 -17.611 -7.694 8 2HG MET 1 3HG MET 1 -7.848 -18.381 -8.982 9 1HE MET 1 1HE MET 1 -11.032 -18.602 -8.688 10 2HE MET 1 2HE MET 1 -10.099 -19.359 -10.007 11 3HE MET 1 3HE MET 1 -11.257 -20.327 -9.064 12 H GLY 2 H GLY 2 -6.396 -16.530 -4.544 13 1HA GLY 2 2HA GLY 2 -4.746 -18.052 -3.045 14 2HA GLY 2 1HA GLY 2 -3.639 -16.823 -3.715 15 H ASP 3 H ASP 3 -3.381 -15.710 -1.740 16 HA ASP 3 HA ASP 3 -5.360 -13.620 -1.625 17 1HB ASP 3 2HB ASP 3 -5.872 -14.880 0.489 18 2HB ASP 3 3HB ASP 3 -4.168 -14.743 0.967 19 H GLY 4 H GLY 4 -4.227 -11.696 -0.727 20 1HA GLY 4 2HA GLY 4 -1.315 -11.771 -0.480 21 2HA GLY 4 1HA GLY 4 -1.844 -10.946 -1.951 22 H VAL 5 H VAL 5 -2.535 -11.153 1.565 23 HA VAL 5 HA VAL 5 -3.418 -8.359 1.666 24 HB VAL 5 HB VAL 5 -4.500 -9.926 3.069 25 1HG1 VAL 5 1HG1 VAL 5 -1.947 -10.387 4.643 26 2HG1 VAL 5 2HG1 VAL 5 -3.564 -11.002 4.987 27 3HG1 VAL 5 3HG1 VAL 5 -2.708 -11.564 3.548 28 1HG2 VAL 5 1HG2 VAL 5 -2.869 -8.003 4.767 29 2HG2 VAL 5 2HG2 VAL 5 -4.260 -7.556 3.762 30 3HG2 VAL 5 3HG2 VAL 5 -4.471 -8.665 5.128 31 H LEU 6 H LEU 6 -1.688 -7.283 0.722 32 HA LEU 6 HA LEU 6 0.835 -7.178 2.256 33 1HB LEU 6 2HB LEU 6 0.656 -6.844 -0.312 34 2HB LEU 6 3HB LEU 6 0.124 -5.229 0.117 35 HG LEU 6 HG LEU 6 2.233 -5.054 1.564 36 1HD1 LEU 6 1HD1 LEU 6 2.936 -7.367 1.835 37 2HD1 LEU 6 2HD1 LEU 6 2.888 -7.638 0.085 38 3HD1 LEU 6 3HD1 LEU 6 4.124 -6.586 0.803 39 1HD2 LEU 6 1HD2 LEU 6 3.695 -4.682 -0.477 40 2HD2 LEU 6 2HD2 LEU 6 2.404 -5.421 -1.449 41 3HD2 LEU 6 3HD2 LEU 6 2.095 -3.930 -0.533 42 H GLU 7 H GLU 7 -0.599 -6.988 4.148 43 HA GLU 7 HA GLU 7 -0.861 -4.170 4.788 44 1HB GLU 7 2HB GLU 7 -1.424 -6.642 6.324 45 2HB GLU 7 3HB GLU 7 -0.507 -5.428 7.241 46 1HG GLU 7 2HG GLU 7 -2.080 -3.670 6.375 47 2HG GLU 7 3HG GLU 7 -3.090 -4.996 5.739 48 H LEU 8 H LEU 8 0.702 -2.869 5.221 49 HA LEU 8 HA LEU 8 3.219 -3.779 6.351 50 1HB LEU 8 2HB LEU 8 4.499 -2.578 4.490 51 2HB LEU 8 3HB LEU 8 3.765 -4.131 4.067 52 HG LEU 8 HG LEU 8 1.986 -3.005 2.827 53 1HD1 LEU 8 1HD1 LEU 8 3.552 -0.484 3.526 54 2HD1 LEU 8 2HD1 LEU 8 2.359 -0.597 2.215 55 3HD1 LEU 8 3HD1 LEU 8 1.841 -0.828 3.882 56 1HD2 LEU 8 1HD2 LEU 8 4.817 -2.135 2.081 57 2HD2 LEU 8 2HD2 LEU 8 4.154 -3.746 1.785 58 3HD2 LEU 8 3HD2 LEU 8 3.452 -2.336 0.966 59 H VAL 9 H VAL 9 4.601 -1.889 6.950 60 HA VAL 9 HA VAL 9 2.975 0.368 7.915 61 HB VAL 9 HB VAL 9 5.624 -0.805 8.549 62 1HG1 VAL 9 1HG1 VAL 9 5.345 2.232 8.511 63 2HG1 VAL 9 2HG1 VAL 9 6.605 1.320 9.358 64 3HG1 VAL 9 3HG1 VAL 9 6.530 1.254 7.598 65 1HG2 VAL 9 1HG2 VAL 9 5.108 -0.104 10.757 66 2HG2 VAL 9 2HG2 VAL 9 4.014 1.166 10.206 67 3HG2 VAL 9 3HG2 VAL 9 3.529 -0.548 10.078 68 H VAL 10 H VAL 10 3.044 2.363 6.923 69 HA VAL 10 HA VAL 10 4.968 2.795 4.739 70 HB VAL 10 HB VAL 10 2.078 3.750 4.966 71 1HG1 VAL 10 1HG1 VAL 10 4.309 4.507 3.041 72 2HG1 VAL 10 2HG1 VAL 10 2.600 4.944 2.841 73 3HG1 VAL 10 3HG1 VAL 10 3.505 5.559 4.231 74 1HG2 VAL 10 1HG2 VAL 10 3.539 1.967 2.974 75 2HG2 VAL 10 2HG2 VAL 10 2.178 1.533 4.035 76 3HG2 VAL 10 3HG2 VAL 10 1.930 2.661 2.691 77 H ARG 11 H ARG 11 6.163 4.580 5.117 78 HA ARG 11 HA ARG 11 5.308 6.514 7.161 79 1HB ARG 11 2HB ARG 11 8.111 5.539 6.538 80 2HB ARG 11 3HB ARG 11 7.838 7.106 7.291 81 1HG ARG 11 2HG ARG 11 6.600 4.683 8.582 82 2HG ARG 11 3HG ARG 11 8.338 4.964 8.730 83 1HD ARG 11 2HD ARG 11 7.191 5.934 10.631 84 2HD ARG 11 3HD ARG 11 7.993 7.185 9.697 85 HE ARG 11 HE ARG 11 5.051 6.540 9.788 86 1HH1 ARG 11 2HH2 ARG 11 7.494 8.984 8.881 87 2HH1 ARG 11 1HH2 ARG 11 6.279 10.112 8.340 88 1HH2 ARG 11 2HH1 ARG 11 3.602 7.894 9.006 89 2HH2 ARG 11 1HH1 ARG 11 4.035 9.385 8.164 90 H GLY 12 H GLY 12 6.477 8.696 6.520 91 1HA GLY 12 2HA GLY 12 6.223 10.400 4.884 92 2HA GLY 12 1HA GLY 12 5.475 9.236 3.777 93 H MET 13 H MET 13 3.273 9.394 3.720 94 HA MET 13 HA MET 13 1.187 10.224 4.182 95 1HB MET 13 2HB MET 13 1.699 8.306 6.462 96 2HB MET 13 3HB MET 13 0.102 8.918 5.985 97 1HG MET 13 2HG MET 13 0.565 8.052 3.644 98 2HG MET 13 3HG MET 13 1.949 7.198 4.330 99 1HE MET 13 1HE MET 13 1.615 5.550 6.448 100 2HE MET 13 2HE MET 13 0.412 6.555 7.282 101 3HE MET 13 3HE MET 13 0.042 4.851 6.917 102 H THR 14 H THR 14 2.352 12.429 4.676 103 HA THR 14 HA THR 14 2.156 13.152 7.519 104 HB THR 14 HB THR 14 4.076 13.900 6.304 105 HG1 THR 14 1HG THR 14 2.252 15.758 7.338 106 1HG2 THR 14 1HG2 THR 14 3.884 15.785 4.682 107 2HG2 THR 14 2HG2 THR 14 3.307 14.242 4.054 108 3HG2 THR 14 3HG2 THR 14 2.138 15.487 4.568 109 H CYS 15 H CYS 15 -0.172 13.119 4.968 110 HA CYS 15 HA CYS 15 -2.047 14.308 6.741 111 1HB CYS 15 2HB CYS 15 -2.725 16.246 5.501 112 2HB CYS 15 3HB CYS 15 -1.002 16.407 5.782 113 H ALA 16 H ALA 16 -4.225 14.476 5.565 114 HA ALA 16 HA ALA 16 -5.062 12.042 4.561 115 1HB ALA 16 1HB ALA 16 -6.572 13.765 5.422 116 2HB ALA 16 2HB ALA 16 -6.241 14.792 4.008 117 3HB ALA 16 3HB ALA 16 -7.078 13.238 3.805 118 H SER 17 H SER 17 -3.980 14.927 2.714 119 HA SER 17 HA SER 17 -4.571 13.896 0.147 120 1HB SER 17 2HB SER 17 -2.485 15.983 0.862 121 2HB SER 17 3HB SER 17 -3.349 15.782 -0.672 122 HG SER 17 HG SER 17 -5.313 16.153 0.562 123 H CYS 18 H CYS 18 -1.848 13.243 2.304 124 HA CYS 18 HA CYS 18 -0.294 11.896 0.186 125 1HB CYS 18 2HB CYS 18 -0.038 11.823 3.210 126 2HB CYS 18 3HB CYS 18 1.014 11.020 2.049 127 H VAL 19 H VAL 19 -2.205 11.045 3.074 128 HA VAL 19 HA VAL 19 -2.102 8.274 2.944 129 HB VAL 19 HB VAL 19 -4.396 10.080 3.770 130 1HG1 VAL 19 1HG1 VAL 19 -5.319 7.827 3.375 131 2HG1 VAL 19 2HG1 VAL 19 -4.026 7.135 4.387 132 3HG1 VAL 19 3HG1 VAL 19 -5.249 8.200 5.099 133 1HG2 VAL 19 1HG2 VAL 19 -2.317 8.568 5.408 134 2HG2 VAL 19 2HG2 VAL 19 -2.206 10.295 5.048 135 3HG2 VAL 19 3HG2 VAL 19 -3.546 9.692 6.028 136 H HIS 20 H HIS 20 -4.793 10.204 1.430 137 HA HIS 20 HA HIS 20 -5.723 7.822 0.252 138 1HB HIS 20 2HB HIS 20 -7.468 8.931 -0.723 139 2HB HIS 20 3HB HIS 20 -7.170 9.675 0.849 140 HD1 HIS 20 1HD HIS 20 -8.818 11.319 -1.179 141 HD2 HIS 20 2HD HIS 20 -4.642 11.266 -1.037 142 HE1 HIS 20 1HE HIS 20 -8.035 13.426 -2.395 143 H LYS 21 H LYS 21 -3.013 9.582 -0.680 144 HA LYS 21 HA LYS 21 -3.272 9.527 -3.555 145 1HB LYS 21 2HB LYS 21 -1.734 10.920 -1.883 146 2HB LYS 21 3HB LYS 21 -0.617 9.573 -2.107 147 1HG LYS 21 2HG LYS 21 -0.748 10.004 -4.596 148 2HG LYS 21 3HG LYS 21 -1.830 11.367 -4.233 149 1HD LYS 21 2HD LYS 21 0.097 12.151 -2.593 150 2HD LYS 21 3HD LYS 21 1.096 10.981 -3.450 151 1HE LYS 21 2HE LYS 21 1.502 13.108 -4.461 152 2HE LYS 21 3HE LYS 21 0.522 12.196 -5.619 153 1HZ LYS 21 1HZ LYS 21 -1.405 13.417 -4.813 154 2HZ LYS 21 2HZ LYS 21 -0.487 14.220 -3.713 155 3HZ LYS 21 3HZ LYS 21 -0.246 14.466 -5.322 156 H ILE 22 H ILE 22 -1.898 7.529 -0.970 157 HA ILE 22 HA ILE 22 -0.516 5.593 -2.538 158 HB ILE 22 HB ILE 22 -1.892 5.461 0.179 159 1HG1 ILE 22 2HG1 ILE 22 1.071 5.621 -0.479 160 2HG1 ILE 22 3HG1 ILE 22 0.061 7.055 -0.209 161 1HG2 ILE 22 1HG2 ILE 22 -1.744 3.172 -0.615 162 2HG2 ILE 22 2HG2 ILE 22 -0.099 3.437 -1.224 163 3HG2 ILE 22 3HG2 ILE 22 -0.423 3.399 0.522 164 1HD1 ILE 22 1HD1 ILE 22 1.206 6.526 1.811 165 2HD1 ILE 22 2HD1 ILE 22 -0.546 6.319 2.014 166 3HD1 ILE 22 3HD1 ILE 22 0.507 4.894 1.857 167 H GLU 23 H GLU 23 -3.756 5.386 -1.025 168 HA GLU 23 HA GLU 23 -4.570 3.055 -2.348 169 1HB GLU 23 2HB GLU 23 -6.967 4.261 -1.947 170 2HB GLU 23 3HB GLU 23 -6.045 3.409 -0.682 171 1HG GLU 23 2HG GLU 23 -5.216 5.633 0.094 172 2HG GLU 23 3HG GLU 23 -6.281 6.334 -1.175 173 H SER 24 H SER 24 -5.389 6.439 -3.262 174 HA SER 24 HA SER 24 -6.758 5.877 -5.617 175 1HB SER 24 2HB SER 24 -6.620 8.077 -4.565 176 2HB SER 24 3HB SER 24 -4.914 8.227 -5.029 177 HG SER 24 HG SER 24 -6.456 9.254 -6.474 178 H SER 25 H SER 25 -3.193 6.102 -5.165 179 HA SER 25 HA SER 25 -2.662 6.182 -8.031 180 1HB SER 25 2HB SER 25 -1.175 7.296 -6.340 181 2HB SER 25 3HB SER 25 -0.775 5.687 -5.697 182 HG SER 25 HG SER 25 -0.220 6.775 -8.263 183 H LEU 26 H LEU 26 -2.804 3.779 -5.387 184 HA LEU 26 HA LEU 26 -1.763 1.664 -7.032 185 1HB LEU 26 2HB LEU 26 -3.362 1.763 -4.495 186 2HB LEU 26 3HB LEU 26 -2.907 0.257 -5.307 187 HG LEU 26 HG LEU 26 -0.849 2.297 -4.469 188 1HD1 LEU 26 1HD1 LEU 26 -0.498 0.959 -2.426 189 2HD1 LEU 26 2HD1 LEU 26 -2.144 1.618 -2.471 190 3HD1 LEU 26 3HD1 LEU 26 -1.863 -0.087 -2.874 191 1HD2 LEU 26 1HD2 LEU 26 0.659 0.347 -4.498 192 2HD2 LEU 26 2HD2 LEU 26 -0.684 -0.694 -5.013 193 3HD2 LEU 26 3HD2 LEU 26 -0.073 0.571 -6.091 194 H THR 27 H THR 27 -5.134 2.768 -6.251 195 HA THR 27 HA THR 27 -6.402 0.539 -7.284 196 HB THR 27 HB THR 27 -8.427 2.088 -7.512 197 HG1 THR 27 1HG THR 27 -6.511 3.970 -7.302 198 1HG2 THR 27 1HG2 THR 27 -6.903 1.865 -4.898 199 2HG2 THR 27 2HG2 THR 27 -8.584 2.405 -5.057 200 3HG2 THR 27 3HG2 THR 27 -8.132 0.765 -5.547 201 H LYS 28 H LYS 28 -4.867 2.863 -9.331 202 HA LYS 28 HA LYS 28 -6.383 2.335 -11.722 203 1HB LYS 28 2HB LYS 28 -4.188 2.783 -12.900 204 2HB LYS 28 3HB LYS 28 -4.859 4.097 -11.925 205 1HG LYS 28 2HG LYS 28 -3.306 4.003 -10.324 206 2HG LYS 28 3HG LYS 28 -2.918 2.284 -10.556 207 1HD LYS 28 2HD LYS 28 -2.086 3.535 -12.954 208 2HD LYS 28 3HD LYS 28 -1.632 4.685 -11.700 209 1HE LYS 28 2HE LYS 28 -0.967 1.707 -11.771 210 2HE LYS 28 3HE LYS 28 0.166 2.981 -12.229 211 1HZ LYS 28 1HZ LYS 28 -1.013 3.015 -9.554 212 2HZ LYS 28 2HZ LYS 28 0.204 1.971 -9.842 213 3HZ LYS 28 3HZ LYS 28 0.431 3.605 -10.029 214 H HIS 29 H HIS 29 -3.971 0.396 -9.964 215 HA HIS 29 HA HIS 29 -3.497 -1.491 -12.131 216 1HB HIS 29 2HB HIS 29 -3.219 -1.856 -9.131 217 2HB HIS 29 3HB HIS 29 -2.520 -2.899 -10.372 218 HD1 HIS 29 1HD HIS 29 -0.494 -1.577 -11.896 219 HD2 HIS 29 2HD HIS 29 -1.594 -0.219 -8.089 220 HE1 HIS 29 1HE HIS 29 1.423 -0.110 -11.012 221 H ARG 30 H ARG 30 -4.721 -3.320 -12.586 222 HA ARG 30 HA ARG 30 -7.128 -3.882 -10.917 223 1HB ARG 30 2HB ARG 30 -6.216 -5.063 -13.572 224 2HB ARG 30 3HB ARG 30 -7.743 -5.398 -12.733 225 1HG ARG 30 2HG ARG 30 -8.342 -2.980 -12.869 226 2HG ARG 30 3HG ARG 30 -6.850 -2.661 -13.772 227 1HD ARG 30 2HD ARG 30 -7.585 -4.230 -15.543 228 2HD ARG 30 3HD ARG 30 -9.110 -4.495 -14.654 229 HE ARG 30 HE ARG 30 -8.763 -1.708 -14.997 230 1HH1 ARG 30 2HH2 ARG 30 -9.369 -4.557 -16.969 231 2HH1 ARG 30 1HH2 ARG 30 -10.210 -3.722 -18.238 232 1HH2 ARG 30 2HH1 ARG 30 -9.880 -0.538 -16.654 233 2HH2 ARG 30 1HH1 ARG 30 -10.510 -1.364 -18.042 234 H GLY 31 H GLY 31 -3.862 -4.736 -10.976 235 1HA GLY 31 2HA GLY 31 -4.150 -7.501 -10.160 236 2HA GLY 31 1HA GLY 31 -2.692 -6.496 -10.053 237 H ILE 32 H ILE 32 -4.222 -4.339 -8.591 238 HA ILE 32 HA ILE 32 -4.178 -5.535 -5.906 239 HB ILE 32 HB ILE 32 -4.212 -3.431 -4.981 240 1HG1 ILE 32 2HG1 ILE 32 -4.401 -1.316 -6.292 241 2HG1 ILE 32 3HG1 ILE 32 -5.101 -2.242 -7.617 242 1HG2 ILE 32 1HG2 ILE 32 -2.484 -3.160 -7.435 243 2HG2 ILE 32 2HG2 ILE 32 -2.316 -2.304 -5.893 244 3HG2 ILE 32 3HG2 ILE 32 -2.097 -4.056 -5.952 245 1HD1 ILE 32 1HD1 ILE 32 -7.105 -2.584 -6.409 246 2HD1 ILE 32 2HD1 ILE 32 -6.281 -2.507 -4.832 247 3HD1 ILE 32 3HD1 ILE 32 -6.593 -1.039 -5.750 248 H LEU 33 H LEU 33 -6.053 -5.629 -4.692 249 HA LEU 33 HA LEU 33 -8.617 -5.817 -6.220 250 1HB LEU 33 2HB LEU 33 -7.691 -7.253 -3.704 251 2HB LEU 33 3HB LEU 33 -9.217 -7.520 -4.552 252 HG LEU 33 HG LEU 33 -6.453 -8.055 -5.740 253 1HD1 LEU 33 1HD1 LEU 33 -6.921 -9.545 -3.843 254 2HD1 LEU 33 2HD1 LEU 33 -8.482 -9.993 -4.570 255 3HD1 LEU 33 3HD1 LEU 33 -6.961 -10.429 -5.377 256 1HD2 LEU 33 1HD2 LEU 33 -7.723 -9.355 -7.435 257 2HD2 LEU 33 2HD2 LEU 33 -9.244 -8.757 -6.740 258 3HD2 LEU 33 3HD2 LEU 33 -8.096 -7.630 -7.503 259 H TYR 34 H TYR 34 -7.014 -4.668 -3.221 260 HA TYR 34 HA TYR 34 -9.085 -2.660 -2.919 261 1HB TYR 34 2HB TYR 34 -10.012 -4.657 -1.623 262 2HB TYR 34 3HB TYR 34 -8.527 -4.620 -0.656 263 HD1 TYR 34 HD1 TYR 34 -11.136 -2.130 -1.760 264 HD2 TYR 34 HD2 TYR 34 -8.696 -3.683 1.442 265 HE1 TYR 34 HE1 TYR 34 -12.019 -0.388 -0.238 266 HE2 TYR 34 HE2 TYR 34 -9.675 -2.016 2.989 267 HH TYR 34 HH TYR 34 -11.914 0.532 1.878 268 H CYS 35 H CYS 35 -8.338 -0.937 -1.607 269 HA CYS 35 HA CYS 35 -5.617 -1.162 -0.421 270 1HB CYS 35 2HB CYS 35 -6.725 1.184 -2.016 271 2HB CYS 35 3HB CYS 35 -5.177 1.130 -1.157 272 HG CYS 35 HG CYS 35 -4.987 1.042 -3.787 273 H SER 36 H SER 36 -5.595 -0.238 1.653 274 HA SER 36 HA SER 36 -7.250 2.083 2.090 275 1HB SER 36 2HB SER 36 -8.795 0.310 2.887 276 2HB SER 36 3HB SER 36 -7.540 -0.282 3.999 277 HG SER 36 HG SER 36 -8.808 2.270 3.978 278 H VAL 37 H VAL 37 -6.376 3.308 3.945 279 HA VAL 37 HA VAL 37 -3.789 2.382 5.030 280 HB VAL 37 HB VAL 37 -3.195 4.970 4.517 281 1HG1 VAL 37 1HG1 VAL 37 -1.930 4.256 2.532 282 2HG1 VAL 37 2HG1 VAL 37 -1.761 3.177 3.924 283 3HG1 VAL 37 3HG1 VAL 37 -2.805 2.710 2.546 284 1HG2 VAL 37 1HG2 VAL 37 -5.384 5.333 3.264 285 2HG2 VAL 37 2HG2 VAL 37 -3.910 5.700 2.355 286 3HG2 VAL 37 3HG2 VAL 37 -4.778 4.203 2.028 287 H ALA 38 H ALA 38 -3.386 3.030 7.040 288 HA ALA 38 HA ALA 38 -5.256 5.006 8.324 289 1HB ALA 38 1HB ALA 38 -4.190 2.355 9.324 290 2HB ALA 38 2HB ALA 38 -4.915 3.598 10.372 291 3HB ALA 38 3HB ALA 38 -5.893 2.817 9.098 292 H LEU 39 H LEU 39 -3.717 6.727 8.089 293 HA LEU 39 HA LEU 39 -1.079 6.597 9.073 294 1HB LEU 39 2HB LEU 39 -1.125 8.957 9.182 295 2HB LEU 39 3HB LEU 39 -1.933 8.403 7.733 296 HG LEU 39 HG LEU 39 -3.116 10.221 8.421 297 1HD1 LEU 39 1HD1 LEU 39 -4.676 8.443 7.821 298 2HD1 LEU 39 2HD1 LEU 39 -4.857 8.014 9.544 299 3HD1 LEU 39 3HD1 LEU 39 -5.363 9.602 8.961 300 1HD2 LEU 39 1HD2 LEU 39 -2.179 10.420 10.716 301 2HD2 LEU 39 2HD2 LEU 39 -3.900 10.813 10.597 302 3HD2 LEU 39 3HD2 LEU 39 -3.402 9.269 11.290 303 H ALA 40 H ALA 40 -4.123 6.496 10.780 304 HA ALA 40 HA ALA 40 -3.383 7.417 13.322 305 1HB ALA 40 1HB ALA 40 -5.196 5.968 14.149 306 2HB ALA 40 2HB ALA 40 -5.686 6.829 12.678 307 3HB ALA 40 3HB ALA 40 -5.241 5.108 12.596 308 H THR 41 H THR 41 -2.816 4.232 11.812 309 HA THR 41 HA THR 41 -1.163 3.412 14.168 310 HB THR 41 HB THR 41 -3.247 2.127 13.611 311 HG1 THR 41 1HG THR 41 -1.383 1.269 14.760 312 1HG2 THR 41 1HG2 THR 41 -3.268 0.597 11.818 313 2HG2 THR 41 2HG2 THR 41 -2.922 2.192 11.116 314 3HG2 THR 41 3HG2 THR 41 -1.602 1.029 11.353 315 H ASN 42 H ASN 42 -1.084 4.328 10.853 316 HA ASN 42 HA ASN 42 0.452 4.492 9.279 317 1HB ASN 42 2HB ASN 42 2.345 4.186 11.604 318 2HB ASN 42 3HB ASN 42 2.965 3.837 9.987 319 1HD2 ASN 42 1HD2 ASN 42 0.492 6.277 11.055 320 2HD2 ASN 42 2HD2 ASN 42 1.258 7.525 10.140 321 H LYS 43 H LYS 43 -0.930 2.790 8.454 322 HA LYS 43 HA LYS 43 0.889 0.863 7.441 323 1HB LYS 43 2HB LYS 43 0.532 -0.730 8.975 324 2HB LYS 43 3HB LYS 43 -0.864 0.051 9.629 325 1HG LYS 43 2HG LYS 43 -1.129 -1.527 7.064 326 2HG LYS 43 3HG LYS 43 -1.064 -2.339 8.611 327 1HD LYS 43 2HD LYS 43 -2.992 -0.021 8.226 328 2HD LYS 43 3HD LYS 43 -3.431 -1.638 7.670 329 1HE LYS 43 2HE LYS 43 -2.461 -1.136 10.510 330 2HE LYS 43 3HE LYS 43 -4.146 -0.891 10.070 331 1HZ LYS 43 1HZ LYS 43 -2.657 -3.463 9.838 332 2HZ LYS 43 2HZ LYS 43 -3.819 -3.107 10.941 333 3HZ LYS 43 3HZ LYS 43 -4.136 -3.272 9.321 334 H ALA 44 H ALA 44 0.241 -0.055 5.551 335 HA ALA 44 HA ALA 44 -2.337 0.885 4.354 336 1HB ALA 44 1HB ALA 44 -1.341 0.893 2.198 337 2HB ALA 44 2HB ALA 44 -0.187 1.785 3.212 338 3HB ALA 44 3HB ALA 44 0.128 0.100 2.751 339 H HIS 45 H HIS 45 -3.637 -0.643 3.774 340 HA HIS 45 HA HIS 45 -2.883 -3.512 3.980 341 1HB HIS 45 2HB HIS 45 -4.490 -2.611 5.688 342 2HB HIS 45 3HB HIS 45 -5.543 -2.056 4.389 343 HD1 HIS 45 1HD HIS 45 -5.329 -4.783 6.704 344 HD2 HIS 45 2HD HIS 45 -6.039 -4.400 2.581 345 HE1 HIS 45 1HE HIS 45 -6.601 -6.895 5.981 346 H ILE 46 H ILE 46 -2.257 -3.834 1.862 347 HA ILE 46 HA ILE 46 -4.149 -3.002 -0.281 348 HB ILE 46 HB ILE 46 -1.360 -3.998 -0.804 349 1HG1 ILE 46 2HG1 ILE 46 -0.730 -2.220 0.583 350 2HG1 ILE 46 3HG1 ILE 46 -0.635 -1.622 -1.068 351 1HG2 ILE 46 1HG2 ILE 46 -2.949 -3.943 -2.636 352 2HG2 ILE 46 2HG2 ILE 46 -3.268 -2.226 -2.347 353 3HG2 ILE 46 3HG2 ILE 46 -1.663 -2.754 -2.880 354 1HD1 ILE 46 1HD1 ILE 46 -1.593 0.137 0.036 355 2HD1 ILE 46 2HD1 ILE 46 -3.028 -0.667 -0.637 356 3HD1 ILE 46 3HD1 ILE 46 -2.583 -0.890 1.074 357 H LYS 47 H LYS 47 -5.492 -4.672 -0.727 358 HA LYS 47 HA LYS 47 -4.560 -7.498 -0.434 359 1HB LYS 47 2HB LYS 47 -7.196 -6.193 -1.040 360 2HB LYS 47 3HB LYS 47 -6.921 -7.879 -1.429 361 1HG LYS 47 2HG LYS 47 -6.388 -6.820 1.384 362 2HG LYS 47 3HG LYS 47 -8.005 -7.314 0.854 363 1HD LYS 47 2HD LYS 47 -6.988 -9.524 0.066 364 2HD LYS 47 3HD LYS 47 -5.508 -9.087 0.915 365 1HE LYS 47 2HE LYS 47 -6.780 -9.013 3.071 366 2HE LYS 47 3HE LYS 47 -8.277 -9.321 2.171 367 1HZ LYS 47 1HZ LYS 47 -6.059 -11.264 2.559 368 2HZ LYS 47 2HZ LYS 47 -7.666 -11.435 2.867 369 3HZ LYS 47 3HZ LYS 47 -7.014 -11.375 1.337 370 H TYR 48 H TYR 48 -3.617 -8.416 -2.239 371 HA TYR 48 HA TYR 48 -4.445 -7.483 -4.909 372 1HB TYR 48 2HB TYR 48 -2.247 -7.141 -5.698 373 2HB TYR 48 3HB TYR 48 -2.358 -6.212 -4.211 374 HD1 TYR 48 HD1 TYR 48 -0.519 -8.725 -6.025 375 HD2 TYR 48 HD2 TYR 48 -1.365 -7.299 -2.050 376 HE1 TYR 48 HE1 TYR 48 1.504 -9.874 -5.167 377 HE2 TYR 48 HE2 TYR 48 0.365 -8.845 -1.154 378 HH TYR 48 HH TYR 48 2.071 -10.297 -1.668 379 H ASP 49 H ASP 49 -3.902 -9.099 -6.594 380 HA ASP 49 HA ASP 49 -3.823 -11.837 -5.404 381 1HB ASP 49 2HB ASP 49 -5.393 -10.827 -7.459 382 2HB ASP 49 3HB ASP 49 -4.141 -11.712 -8.316 383 HA PRO 50 HA PRO 50 0.512 -11.355 -6.555 384 1HB PRO 50 2HB PRO 50 1.605 -13.576 -5.426 385 2HB PRO 50 3HB PRO 50 0.848 -12.301 -4.443 386 1HG PRO 50 2HG PRO 50 -0.453 -14.864 -5.401 387 2HG PRO 50 3HG PRO 50 -0.371 -14.242 -3.724 388 1HD PRO 50 2HD PRO 50 -2.527 -13.793 -5.353 389 2HD PRO 50 3HD PRO 50 -1.968 -12.561 -4.182 390 H GLU 51 H GLU 51 -1.149 -12.107 -8.671 391 HA GLU 51 HA GLU 51 0.585 -13.973 -10.255 392 1HB GLU 51 2HB GLU 51 -2.448 -13.701 -10.260 393 2HB GLU 51 3HB GLU 51 -1.515 -14.758 -11.326 394 1HG GLU 51 2HG GLU 51 -0.768 -16.114 -9.422 395 2HG GLU 51 3HG GLU 51 -1.581 -15.026 -8.281 396 H ILE 52 H ILE 52 -0.173 -10.854 -9.865 397 HA ILE 52 HA ILE 52 -0.238 -10.094 -12.680 398 HB ILE 52 HB ILE 52 -2.513 -10.730 -12.344 399 1HG1 ILE 52 2HG1 ILE 52 -3.776 -8.661 -12.665 400 2HG1 ILE 52 3HG1 ILE 52 -2.384 -7.693 -12.162 401 1HG2 ILE 52 1HG2 ILE 52 -3.952 -9.762 -10.565 402 2HG2 ILE 52 2HG2 ILE 52 -2.708 -10.855 -9.987 403 3HG2 ILE 52 3HG2 ILE 52 -2.489 -9.103 -9.789 404 1HD1 ILE 52 1HD1 ILE 52 -1.079 -8.568 -14.071 405 2HD1 ILE 52 2HD1 ILE 52 -2.412 -9.656 -14.499 406 3HD1 ILE 52 3HD1 ILE 52 -2.615 -7.895 -14.647 407 H ILE 53 H ILE 53 0.052 -9.047 -9.207 408 HA ILE 53 HA ILE 53 1.831 -7.051 -10.287 409 HB ILE 53 HB ILE 53 -0.389 -5.877 -9.819 410 1HG1 ILE 53 2HG1 ILE 53 1.718 -4.912 -7.891 411 2HG1 ILE 53 3HG1 ILE 53 2.039 -4.908 -9.640 412 1HG2 ILE 53 1HG2 ILE 53 -1.031 -7.240 -7.813 413 2HG2 ILE 53 2HG2 ILE 53 0.265 -6.429 -6.891 414 3HG2 ILE 53 3HG2 ILE 53 -1.090 -5.495 -7.534 415 1HD1 ILE 53 1HD1 ILE 53 0.025 -3.577 -10.037 416 2HD1 ILE 53 2HD1 ILE 53 -0.269 -3.476 -8.283 417 3HD1 ILE 53 3HD1 ILE 53 1.189 -2.745 -8.980 418 H GLY 54 H GLY 54 3.610 -6.854 -8.889 419 1HA GLY 54 2HA GLY 54 3.871 -9.017 -6.905 420 2HA GLY 54 1HA GLY 54 5.142 -7.952 -7.528 421 HA PRO 55 HA PRO 55 3.335 -6.281 -3.385 422 1HB PRO 55 2HB PRO 55 5.236 -7.192 -1.620 423 2HB PRO 55 3HB PRO 55 3.728 -8.072 -2.003 424 1HG PRO 55 2HG PRO 55 6.468 -8.553 -3.180 425 2HG PRO 55 3HG PRO 55 5.318 -9.756 -2.532 426 1HD PRO 55 2HD PRO 55 5.501 -9.241 -5.197 427 2HD PRO 55 3HD PRO 55 3.925 -9.591 -4.440 428 H ARG 56 H ARG 56 6.599 -6.895 -4.654 429 HA ARG 56 HA ARG 56 7.904 -4.543 -3.836 430 1HB ARG 56 2HB ARG 56 9.122 -6.365 -4.734 431 2HB ARG 56 3HB ARG 56 8.247 -6.315 -6.276 432 1HG ARG 56 2HG ARG 56 9.289 -4.402 -7.012 433 2HG ARG 56 3HG ARG 56 9.739 -3.837 -5.392 434 1HD ARG 56 2HD ARG 56 10.964 -6.287 -6.715 435 2HD ARG 56 3HD ARG 56 11.639 -4.638 -6.802 436 HE ARG 56 HE ARG 56 11.145 -5.234 -4.083 437 1HH1 ARG 56 2HH2 ARG 56 13.320 -6.171 -6.678 438 2HH1 ARG 56 1HH2 ARG 56 14.690 -6.494 -5.659 439 1HH2 ARG 56 2HH1 ARG 56 12.933 -5.642 -2.669 440 2HH2 ARG 56 1HH1 ARG 56 14.447 -6.194 -3.305 441 H ASP 57 H ASP 57 5.614 -5.040 -6.584 442 HA ASP 57 HA ASP 57 6.246 -2.501 -7.821 443 1HB ASP 57 2HB ASP 57 3.749 -4.189 -8.074 444 2HB ASP 57 3HB ASP 57 4.276 -2.924 -9.188 445 H ILE 58 H ILE 58 3.688 -3.734 -5.661 446 HA ILE 58 HA ILE 58 2.232 -1.314 -5.295 447 HB ILE 58 HB ILE 58 2.727 -3.738 -3.545 448 1HG1 ILE 58 2HG1 ILE 58 0.053 -2.810 -4.545 449 2HG1 ILE 58 3HG1 ILE 58 1.165 -3.512 -5.733 450 1HG2 ILE 58 1HG2 ILE 58 1.013 -1.313 -2.876 451 2HG2 ILE 58 2HG2 ILE 58 0.861 -2.903 -2.107 452 3HG2 ILE 58 3HG2 ILE 58 2.356 -1.978 -1.921 453 1HD1 ILE 58 1HD1 ILE 58 -0.316 -5.212 -4.806 454 2HD1 ILE 58 2HD1 ILE 58 1.373 -5.554 -4.408 455 3HD1 ILE 58 3HD1 ILE 58 0.282 -4.890 -3.166 456 H ILE 59 H ILE 59 5.007 -2.638 -3.414 457 HA ILE 59 HA ILE 59 5.413 -0.432 -1.717 458 HB ILE 59 HB ILE 59 7.213 -2.565 -2.855 459 1HG1 ILE 59 2HG1 ILE 59 6.409 -2.035 0.029 460 2HG1 ILE 59 3HG1 ILE 59 5.321 -2.887 -1.072 461 1HG2 ILE 59 1HG2 ILE 59 8.013 -0.351 -0.943 462 2HG2 ILE 59 2HG2 ILE 59 8.938 -1.847 -1.180 463 3HG2 ILE 59 3HG2 ILE 59 8.733 -0.724 -2.522 464 1HD1 ILE 59 1HD1 ILE 59 7.035 -4.577 -1.536 465 2HD1 ILE 59 2HD1 ILE 59 8.132 -3.802 -0.368 466 3HD1 ILE 59 3HD1 ILE 59 6.599 -4.505 0.182 467 H HIS 60 H HIS 60 6.976 -0.979 -4.958 468 HA HIS 60 HA HIS 60 8.291 1.493 -5.114 469 1HB HIS 60 2HB HIS 60 6.858 0.022 -7.373 470 2HB HIS 60 3HB HIS 60 8.045 1.306 -7.565 471 HD1 HIS 60 1HD HIS 60 8.456 -1.574 -8.820 472 HD2 HIS 60 2HD HIS 60 10.101 -0.077 -5.243 473 HE1 HIS 60 1HE HIS 60 10.679 -2.770 -8.477 474 H THR 61 H THR 61 4.848 0.749 -5.763 475 HA THR 61 HA THR 61 4.311 3.308 -6.983 476 HB THR 61 HB THR 61 2.371 1.310 -5.764 477 HG1 THR 61 1HG THR 61 3.645 0.434 -7.430 478 1HG2 THR 61 1HG2 THR 61 1.983 3.593 -7.754 479 2HG2 THR 61 2HG2 THR 61 0.765 2.357 -7.374 480 3HG2 THR 61 3HG2 THR 61 1.288 3.493 -6.123 481 H ILE 62 H ILE 62 3.986 2.010 -3.659 482 HA ILE 62 HA ILE 62 2.955 4.415 -2.442 483 HB ILE 62 HB ILE 62 4.621 2.068 -1.499 484 1HG1 ILE 62 2HG1 ILE 62 2.034 2.964 -0.309 485 2HG1 ILE 62 3HG1 ILE 62 1.991 2.174 -1.905 486 1HG2 ILE 62 1HG2 ILE 62 4.236 3.001 0.869 487 2HG2 ILE 62 2HG2 ILE 62 5.454 3.866 -0.055 488 3HG2 ILE 62 3HG2 ILE 62 3.817 4.539 0.117 489 1HD1 ILE 62 1HD1 ILE 62 1.653 0.540 -0.090 490 2HD1 ILE 62 2HD1 ILE 62 3.135 0.204 -1.005 491 3HD1 ILE 62 3HD1 ILE 62 3.237 0.960 0.597 492 H GLU 63 H GLU 63 6.342 3.180 -2.559 493 HA GLU 63 HA GLU 63 7.249 5.428 -1.237 494 1HB GLU 63 2HB GLU 63 8.847 3.466 -2.937 495 2HB GLU 63 3HB GLU 63 9.520 4.611 -1.760 496 1HG GLU 63 2HG GLU 63 8.066 3.587 0.011 497 2HG GLU 63 3HG GLU 63 7.580 2.333 -1.120 498 H SER 64 H SER 64 7.217 4.820 -4.719 499 HA SER 64 HA SER 64 8.878 6.998 -5.473 500 1HB SER 64 2HB SER 64 6.707 5.649 -7.124 501 2HB SER 64 3HB SER 64 8.073 6.608 -7.726 502 HG SER 64 HG SER 64 8.130 4.109 -6.397 503 H LEU 65 H LEU 65 5.634 7.140 -4.239 504 HA LEU 65 HA LEU 65 4.928 9.612 -5.648 505 1HB LEU 65 2HB LEU 65 3.893 8.204 -3.181 506 2HB LEU 65 3HB LEU 65 3.208 9.729 -3.763 507 HG LEU 65 HG LEU 65 3.429 7.256 -5.531 508 1HD1 LEU 65 1HD1 LEU 65 1.171 6.661 -4.955 509 2HD1 LEU 65 2HD1 LEU 65 2.132 6.705 -3.476 510 3HD1 LEU 65 3HD1 LEU 65 1.018 8.045 -3.853 511 1HD2 LEU 65 1HD2 LEU 65 1.564 8.325 -6.759 512 2HD2 LEU 65 2HD2 LEU 65 1.635 9.718 -5.662 513 3HD2 LEU 65 3HD2 LEU 65 2.997 9.357 -6.744 514 H GLY 66 H GLY 66 5.369 9.222 -2.091 515 1HA GLY 66 2HA GLY 66 7.856 10.649 -2.139 516 2HA GLY 66 1HA GLY 66 6.558 11.686 -1.511 517 H PHE 67 H PHE 67 7.220 8.114 -1.168 518 HA PHE 67 HA PHE 67 6.781 8.452 1.784 519 1HB PHE 67 2HB PHE 67 5.445 6.419 -0.002 520 2HB PHE 67 3HB PHE 67 5.134 6.678 1.710 521 HD1 PHE 67 1HD PHE 67 4.903 9.750 1.697 522 HD2 PHE 67 2HD PHE 67 3.260 6.724 -0.902 523 HE1 PHE 67 1HE PHE 67 3.190 11.337 0.932 524 HE2 PHE 67 2HE PHE 67 1.478 8.294 -1.578 525 HZ PHE 67 HZ PHE 67 1.434 10.599 -0.675 526 H GLU 68 H GLU 68 7.010 6.149 2.833 527 HA GLU 68 HA GLU 68 9.270 4.620 1.626 528 1HB GLU 68 2HB GLU 68 9.172 5.189 4.591 529 2HB GLU 68 3HB GLU 68 10.500 4.613 3.590 530 1HG GLU 68 2HG GLU 68 11.152 6.787 4.056 531 2HG GLU 68 3HG GLU 68 10.372 7.021 2.491 532 H ALA 69 H ALA 69 8.972 2.299 2.053 533 HA ALA 69 HA ALA 69 6.653 1.602 3.826 534 1HB ALA 69 1HB ALA 69 7.261 0.467 1.079 535 2HB ALA 69 2HB ALA 69 5.899 0.022 2.132 536 3HB ALA 69 3HB ALA 69 5.988 1.651 1.433 537 H SER 70 H SER 70 6.647 -0.391 4.846 538 HA SER 70 HA SER 70 8.614 -2.403 4.110 539 1HB SER 70 2HB SER 70 9.963 -1.112 5.735 540 2HB SER 70 3HB SER 70 8.673 -1.273 6.946 541 HG SER 70 HG SER 70 9.001 -3.560 6.884 542 H LEU 71 H LEU 71 7.559 -4.332 4.264 543 HA LEU 71 HA LEU 71 5.043 -4.732 5.677 544 1HB LEU 71 2HB LEU 71 5.378 -7.058 5.240 545 2HB LEU 71 3HB LEU 71 5.758 -6.115 3.805 546 HG LEU 71 HG LEU 71 8.276 -6.310 4.792 547 1HD1 LEU 71 1HD1 LEU 71 6.895 -8.860 5.765 548 2HD1 LEU 71 2HD1 LEU 71 8.643 -8.568 5.721 549 3HD1 LEU 71 3HD1 LEU 71 7.624 -7.634 6.817 550 1HD2 LEU 71 1HD2 LEU 71 6.819 -8.494 3.248 551 2HD2 LEU 71 2HD2 LEU 71 7.543 -7.023 2.559 552 3HD2 LEU 71 3HD2 LEU 71 8.578 -8.252 3.301 553 H VAL 72 H VAL 72 4.722 -5.809 7.610 554 HA VAL 72 HA VAL 72 7.018 -6.109 9.459 555 HB VAL 72 HB VAL 72 4.403 -4.669 10.074 556 1HG1 VAL 72 1HG1 VAL 72 5.353 -4.367 12.342 557 2HG1 VAL 72 2HG1 VAL 72 5.121 -6.081 12.003 558 3HG1 VAL 72 3HG1 VAL 72 6.747 -5.378 11.904 559 1HG2 VAL 72 1HG2 VAL 72 7.266 -3.677 10.005 560 2HG2 VAL 72 2HG2 VAL 72 5.938 -3.205 8.921 561 3HG2 VAL 72 3HG2 VAL 72 5.871 -2.769 10.628 562 H LYS 73 H LYS 73 3.505 -6.540 10.123 563 HA LYS 73 HA LYS 73 2.316 -8.314 10.609 564 1HB LYS 73 2HB LYS 73 4.101 -9.928 8.749 565 2HB LYS 73 3HB LYS 73 2.595 -10.469 9.496 566 1HG LYS 73 2HG LYS 73 1.410 -8.511 8.454 567 2HG LYS 73 3HG LYS 73 2.898 -8.130 7.565 568 1HD LYS 73 2HD LYS 73 2.839 -10.356 6.471 569 2HD LYS 73 3HD LYS 73 1.489 -10.841 7.499 570 1HE LYS 73 2HE LYS 73 0.578 -10.354 5.367 571 2HE LYS 73 3HE LYS 73 0.028 -9.098 6.479 572 1HZ LYS 73 1HZ LYS 73 1.556 -7.563 5.463 573 2HZ LYS 73 2HZ LYS 73 2.308 -8.776 4.632 574 3HZ LYS 73 3HZ LYS 73 0.748 -8.400 4.275 575 H ILE 74 H ILE 74 2.454 -10.631 11.682 576 HA ILE 74 HA ILE 74 2.655 -11.359 13.751 577 HB ILE 74 HB ILE 74 5.629 -10.655 13.743 578 1HG1 ILE 74 2HG1 ILE 74 5.846 -13.169 13.246 579 2HG1 ILE 74 3HG1 ILE 74 4.191 -13.119 12.634 580 1HG2 ILE 74 1HG2 ILE 74 4.525 -11.208 15.913 581 2HG2 ILE 74 2HG2 ILE 74 3.916 -12.709 15.189 582 3HG2 ILE 74 3HG2 ILE 74 5.666 -12.468 15.421 583 1HD1 ILE 74 1HD1 ILE 74 4.901 -11.701 10.780 584 2HD1 ILE 74 2HD1 ILE 74 6.458 -11.360 11.575 585 3HD1 ILE 74 3HD1 ILE 74 6.098 -12.978 10.945 586 H GLU 75 H GLU 75 1.209 -9.447 13.886 587 HA GLU 75 HA GLU 75 2.050 -7.049 15.276 588 1HB GLU 75 2HB GLU 75 2.950 -6.950 12.879 589 2HB GLU 75 3HB GLU 75 1.294 -7.281 12.322 590 1HG GLU 75 2HG GLU 75 0.577 -5.108 13.263 591 2HG GLU 75 3HG GLU 75 2.250 -4.784 13.754 Start of MODEL 26 1 1H MET 1 H1 MET 1 -6.855 -19.414 -6.546 2 2H MET 1 H2 MET 1 -6.564 -18.985 -8.141 3 3H MET 1 H3 MET 1 -5.395 -18.814 -6.979 4 HA MET 1 HA MET 1 -6.203 -16.681 -7.219 5 1HB MET 1 2HB MET 1 -8.974 -17.959 -6.934 6 2HB MET 1 3HB MET 1 -8.642 -16.223 -6.947 7 1HG MET 1 2HG MET 1 -7.712 -16.416 -9.243 8 2HG MET 1 3HG MET 1 -8.163 -18.134 -9.262 9 1HE MET 1 1HE MET 1 -9.011 -16.106 -11.511 10 2HE MET 1 2HE MET 1 -9.494 -17.823 -11.504 11 3HE MET 1 3HE MET 1 -10.718 -16.554 -11.741 12 H GLY 2 H GLY 2 -6.557 -15.353 -5.290 13 1HA GLY 2 2HA GLY 2 -7.776 -16.034 -2.910 14 2HA GLY 2 1HA GLY 2 -6.102 -16.634 -2.770 15 H ASP 3 H ASP 3 -7.552 -14.154 -1.495 16 HA ASP 3 HA ASP 3 -6.256 -11.886 -2.767 17 1HB ASP 3 2HB ASP 3 -7.230 -10.677 -0.853 18 2HB ASP 3 3HB ASP 3 -8.429 -11.570 -1.799 19 H GLY 4 H GLY 4 -4.106 -11.622 -2.540 20 1HA GLY 4 2HA GLY 4 -2.620 -12.521 -0.149 21 2HA GLY 4 1HA GLY 4 -2.035 -11.512 -1.489 22 H VAL 5 H VAL 5 -2.328 -11.154 1.665 23 HA VAL 5 HA VAL 5 -3.613 -8.444 1.579 24 HB VAL 5 HB VAL 5 -3.554 -10.324 3.962 25 1HG1 VAL 5 1HG1 VAL 5 -5.305 -8.762 4.791 26 2HG1 VAL 5 2HG1 VAL 5 -3.762 -7.940 4.535 27 3HG1 VAL 5 3HG1 VAL 5 -5.064 -7.750 3.351 28 1HG2 VAL 5 1HG2 VAL 5 -4.941 -11.422 2.326 29 2HG2 VAL 5 2HG2 VAL 5 -6.003 -10.632 3.485 30 3HG2 VAL 5 3HG2 VAL 5 -5.738 -9.901 1.885 31 H LEU 6 H LEU 6 -1.455 -7.712 0.915 32 HA LEU 6 HA LEU 6 0.739 -8.047 2.834 33 1HB LEU 6 2HB LEU 6 1.062 -8.003 0.341 34 2HB LEU 6 3HB LEU 6 0.597 -6.306 0.367 35 HG LEU 6 HG LEU 6 2.613 -6.009 1.993 36 1HD1 LEU 6 1HD1 LEU 6 3.237 -8.794 0.906 37 2HD1 LEU 6 2HD1 LEU 6 4.371 -7.751 1.785 38 3HD1 LEU 6 3HD1 LEU 6 2.943 -8.386 2.609 39 1HD2 LEU 6 1HD2 LEU 6 3.026 -6.961 -0.873 40 2HD2 LEU 6 2HD2 LEU 6 2.653 -5.304 -0.373 41 3HD2 LEU 6 3HD2 LEU 6 4.212 -6.025 0.067 42 H GLU 7 H GLU 7 -0.731 -7.164 4.561 43 HA GLU 7 HA GLU 7 -1.274 -4.315 4.518 44 1HB GLU 7 2HB GLU 7 -2.669 -6.017 5.686 45 2HB GLU 7 3HB GLU 7 -1.386 -6.203 6.895 46 1HG GLU 7 2HG GLU 7 -1.611 -3.845 7.516 47 2HG GLU 7 3HG GLU 7 -2.741 -3.557 6.204 48 H LEU 8 H LEU 8 1.000 -3.856 3.867 49 HA LEU 8 HA LEU 8 3.062 -4.089 5.914 50 1HB LEU 8 2HB LEU 8 4.549 -3.137 4.304 51 2HB LEU 8 3HB LEU 8 3.585 -4.397 3.558 52 HG LEU 8 HG LEU 8 2.208 -1.895 3.083 53 1HD1 LEU 8 1HD1 LEU 8 4.349 -0.766 3.555 54 2HD1 LEU 8 2HD1 LEU 8 5.190 -1.860 2.439 55 3HD1 LEU 8 3HD1 LEU 8 4.001 -0.701 1.818 56 1HD2 LEU 8 1HD2 LEU 8 3.874 -3.651 1.233 57 2HD2 LEU 8 2HD2 LEU 8 2.131 -3.801 1.551 58 3HD2 LEU 8 3HD2 LEU 8 2.748 -2.379 0.716 59 H VAL 9 H VAL 9 4.341 -2.251 6.731 60 HA VAL 9 HA VAL 9 2.632 -0.040 7.529 61 HB VAL 9 HB VAL 9 5.054 -1.281 8.596 62 1HG1 VAL 9 1HG1 VAL 9 6.229 0.743 7.909 63 2HG1 VAL 9 2HG1 VAL 9 4.932 1.764 8.586 64 3HG1 VAL 9 3HG1 VAL 9 5.947 0.774 9.650 65 1HG2 VAL 9 1HG2 VAL 9 4.143 -0.530 10.683 66 2HG2 VAL 9 2HG2 VAL 9 3.110 0.672 9.907 67 3HG2 VAL 9 3HG2 VAL 9 2.767 -1.060 9.698 68 H VAL 10 H VAL 10 2.664 1.892 6.472 69 HA VAL 10 HA VAL 10 4.719 2.426 4.407 70 HB VAL 10 HB VAL 10 1.725 3.001 4.419 71 1HG1 VAL 10 1HG1 VAL 10 2.170 4.171 2.271 72 2HG1 VAL 10 2HG1 VAL 10 2.946 4.983 3.638 73 3HG1 VAL 10 3HG1 VAL 10 3.920 3.973 2.548 74 1HG2 VAL 10 1HG2 VAL 10 3.570 1.465 2.540 75 2HG2 VAL 10 2HG2 VAL 10 2.325 0.757 3.598 76 3HG2 VAL 10 3HG2 VAL 10 1.859 1.786 2.229 77 H ARG 11 H ARG 11 5.833 4.210 4.873 78 HA ARG 11 HA ARG 11 5.132 5.743 7.324 79 1HB ARG 11 2HB ARG 11 7.460 4.390 6.398 80 2HB ARG 11 3HB ARG 11 7.837 6.092 6.295 81 1HG ARG 11 2HG ARG 11 6.590 5.028 8.845 82 2HG ARG 11 3HG ARG 11 8.244 4.569 8.469 83 1HD ARG 11 2HD ARG 11 7.298 7.452 8.656 84 2HD ARG 11 3HD ARG 11 8.137 6.595 9.920 85 HE ARG 11 HE ARG 11 9.246 7.469 7.256 86 1HH1 ARG 11 2HH2 ARG 11 9.962 5.795 10.297 87 2HH1 ARG 11 1HH2 ARG 11 11.681 5.853 10.048 88 1HH2 ARG 11 2HH1 ARG 11 11.299 7.463 6.891 89 2HH2 ARG 11 1HH1 ARG 11 12.528 6.873 8.010 90 H GLY 12 H GLY 12 6.230 8.094 7.160 91 1HA GLY 12 2HA GLY 12 6.360 10.105 6.090 92 2HA GLY 12 1HA GLY 12 5.847 9.386 4.563 93 H MET 13 H MET 13 3.526 8.419 4.738 94 HA MET 13 HA MET 13 1.477 9.643 4.337 95 1HB MET 13 2HB MET 13 1.318 8.006 6.891 96 2HB MET 13 3HB MET 13 0.028 8.384 5.728 97 1HG MET 13 2HG MET 13 1.256 7.094 3.987 98 2HG MET 13 3HG MET 13 2.491 6.696 5.188 99 1HE MET 13 1HE MET 13 -1.438 6.829 5.765 100 2HE MET 13 2HE MET 13 -1.166 6.274 4.095 101 3HE MET 13 3HE MET 13 -1.825 5.161 5.334 102 H THR 14 H THR 14 2.241 11.933 4.931 103 HA THR 14 HA THR 14 1.882 12.633 7.705 104 HB THR 14 HB THR 14 3.807 13.400 6.622 105 HG1 THR 14 1HG THR 14 1.963 15.236 7.557 106 1HG2 THR 14 1HG2 THR 14 2.009 14.837 4.640 107 2HG2 THR 14 2HG2 THR 14 3.744 15.158 4.860 108 3HG2 THR 14 3HG2 THR 14 3.220 13.566 4.311 109 H CYS 15 H CYS 15 -0.470 12.747 5.155 110 HA CYS 15 HA CYS 15 -2.307 13.938 6.999 111 1HB CYS 15 2HB CYS 15 -2.866 15.976 5.805 112 2HB CYS 15 3HB CYS 15 -1.154 16.013 6.169 113 H ALA 16 H ALA 16 -4.435 14.443 5.697 114 HA ALA 16 HA ALA 16 -5.491 12.122 4.584 115 1HB ALA 16 1HB ALA 16 -6.330 15.010 4.073 116 2HB ALA 16 2HB ALA 16 -7.319 13.571 3.761 117 3HB ALA 16 3HB ALA 16 -6.864 13.985 5.428 118 H SER 17 H SER 17 -3.878 14.852 2.938 119 HA SER 17 HA SER 17 -4.436 14.172 0.263 120 1HB SER 17 2HB SER 17 -3.204 16.252 0.913 121 2HB SER 17 3HB SER 17 -1.771 15.251 1.227 122 HG SER 17 HG SER 17 -3.121 15.642 -1.223 123 H CYS 18 H CYS 18 -2.029 12.793 2.600 124 HA CYS 18 HA CYS 18 -0.650 11.298 0.524 125 1HB CYS 18 2HB CYS 18 -0.648 10.940 3.540 126 2HB CYS 18 3HB CYS 18 0.435 10.191 2.368 127 H VAL 19 H VAL 19 -2.910 10.395 3.154 128 HA VAL 19 HA VAL 19 -3.398 7.787 2.595 129 HB VAL 19 HB VAL 19 -5.391 9.940 3.409 130 1HG1 VAL 19 1HG1 VAL 19 -6.671 7.974 2.627 131 2HG1 VAL 19 2HG1 VAL 19 -5.723 6.932 3.703 132 3HG1 VAL 19 3HG1 VAL 19 -6.779 8.178 4.375 133 1HG2 VAL 19 1HG2 VAL 19 -3.786 7.944 5.060 134 2HG2 VAL 19 2HG2 VAL 19 -3.478 9.690 4.963 135 3HG2 VAL 19 3HG2 VAL 19 -4.976 9.100 5.688 136 H HIS 20 H HIS 20 -5.522 10.373 1.166 137 HA HIS 20 HA HIS 20 -6.740 8.341 -0.440 138 1HB HIS 20 2HB HIS 20 -8.253 9.830 -1.176 139 2HB HIS 20 3HB HIS 20 -7.803 10.498 0.394 140 HD1 HIS 20 1HD HIS 20 -8.811 11.885 -2.634 141 HD2 HIS 20 2HD HIS 20 -5.307 12.222 -0.372 142 HE1 HIS 20 1HE HIS 20 -7.719 14.094 -3.311 143 H LYS 21 H LYS 21 -4.030 10.519 -1.101 144 HA LYS 21 HA LYS 21 -4.043 10.206 -3.963 145 1HB LYS 21 2HB LYS 21 -2.947 12.013 -2.777 146 2HB LYS 21 3HB LYS 21 -1.796 10.842 -2.034 147 1HG LYS 21 2HG LYS 21 -0.706 10.489 -4.114 148 2HG LYS 21 3HG LYS 21 -2.021 11.250 -5.019 149 1HD LYS 21 2HD LYS 21 -0.068 12.715 -4.859 150 2HD LYS 21 3HD LYS 21 -1.494 13.457 -4.141 151 1HE LYS 21 2HE LYS 21 0.630 12.013 -2.484 152 2HE LYS 21 3HE LYS 21 0.791 13.713 -2.938 153 1HZ LYS 21 1HZ LYS 21 -1.473 12.670 -1.354 154 2HZ LYS 21 2HZ LYS 21 -0.148 13.401 -0.740 155 3HZ LYS 21 3HZ LYS 21 -1.199 14.240 -1.660 156 H ILE 22 H ILE 22 -2.344 8.537 -1.260 157 HA ILE 22 HA ILE 22 -0.970 6.585 -2.797 158 HB ILE 22 HB ILE 22 -2.095 6.488 0.030 159 1HG1 ILE 22 2HG1 ILE 22 0.807 6.660 -0.864 160 2HG1 ILE 22 3HG1 ILE 22 -0.170 8.104 -0.612 161 1HG2 ILE 22 1HG2 ILE 22 -1.905 4.188 -0.768 162 2HG2 ILE 22 2HG2 ILE 22 -0.293 4.514 -1.439 163 3HG2 ILE 22 3HG2 ILE 22 -0.553 4.504 0.314 164 1HD1 ILE 22 1HD1 ILE 22 1.054 7.719 1.410 165 2HD1 ILE 22 2HD1 ILE 22 -0.649 7.368 1.731 166 3HD1 ILE 22 3HD1 ILE 22 0.516 6.040 1.514 167 H GLU 23 H GLU 23 -4.173 6.315 -1.101 168 HA GLU 23 HA GLU 23 -4.858 3.807 -2.066 169 1HB GLU 23 2HB GLU 23 -6.578 6.219 -1.372 170 2HB GLU 23 3HB GLU 23 -7.273 4.630 -1.706 171 1HG GLU 23 2HG GLU 23 -6.037 3.596 0.091 172 2HG GLU 23 3HG GLU 23 -5.118 5.082 0.386 173 H SER 24 H SER 24 -5.667 6.943 -3.590 174 HA SER 24 HA SER 24 -7.009 5.948 -5.855 175 1HB SER 24 2HB SER 24 -6.931 8.320 -5.157 176 2HB SER 24 3HB SER 24 -5.236 8.431 -5.652 177 HG SER 24 HG SER 24 -5.962 7.921 -7.797 178 H SER 25 H SER 25 -3.480 6.590 -5.390 179 HA SER 25 HA SER 25 -2.732 5.961 -8.082 180 1HB SER 25 2HB SER 25 -1.070 5.824 -5.531 181 2HB SER 25 3HB SER 25 -0.456 5.851 -7.195 182 HG SER 25 HG SER 25 -1.920 7.885 -5.858 183 H LEU 26 H LEU 26 -3.020 4.099 -5.092 184 HA LEU 26 HA LEU 26 -1.870 1.708 -6.063 185 1HB LEU 26 2HB LEU 26 -2.977 2.720 -3.626 186 2HB LEU 26 3HB LEU 26 -3.937 1.305 -3.981 187 HG LEU 26 HG LEU 26 -0.892 1.263 -4.088 188 1HD1 LEU 26 1HD1 LEU 26 -0.897 0.510 -1.755 189 2HD1 LEU 26 2HD1 LEU 26 -1.522 2.156 -1.912 190 3HD1 LEU 26 3HD1 LEU 26 -2.653 0.813 -1.654 191 1HD2 LEU 26 1HD2 LEU 26 -2.162 -0.598 -5.109 192 2HD2 LEU 26 2HD2 LEU 26 -1.309 -1.142 -3.645 193 3HD2 LEU 26 3HD2 LEU 26 -3.057 -0.837 -3.594 194 H THR 27 H THR 27 -5.249 2.729 -5.733 195 HA THR 27 HA THR 27 -6.400 0.440 -6.925 196 HB THR 27 HB THR 27 -7.475 3.281 -6.846 197 HG1 THR 27 1HG THR 27 -6.947 2.638 -4.816 198 1HG2 THR 27 1HG2 THR 27 -8.905 0.589 -7.002 199 2HG2 THR 27 2HG2 THR 27 -9.679 2.175 -6.835 200 3HG2 THR 27 3HG2 THR 27 -8.807 1.772 -8.326 201 H LYS 28 H LYS 28 -4.880 3.296 -8.329 202 HA LYS 28 HA LYS 28 -5.611 2.816 -11.020 203 1HB LYS 28 2HB LYS 28 -4.621 4.762 -11.305 204 2HB LYS 28 3HB LYS 28 -4.259 4.784 -9.616 205 1HG LYS 28 2HG LYS 28 -2.155 5.148 -10.265 206 2HG LYS 28 3HG LYS 28 -2.059 3.420 -10.487 207 1HD LYS 28 2HD LYS 28 -3.042 3.969 -12.911 208 2HD LYS 28 3HD LYS 28 -2.494 5.609 -12.549 209 1HE LYS 28 2HE LYS 28 -0.184 4.775 -12.192 210 2HE LYS 28 3HE LYS 28 -0.737 3.100 -12.389 211 1HZ LYS 28 1HZ LYS 28 0.266 3.917 -14.383 212 2HZ LYS 28 2HZ LYS 28 -1.322 3.581 -14.637 213 3HZ LYS 28 3HZ LYS 28 -0.823 5.146 -14.498 214 H HIS 29 H HIS 29 -3.720 0.669 -9.168 215 HA HIS 29 HA HIS 29 -1.776 0.011 -11.228 216 1HB HIS 29 2HB HIS 29 -2.676 -1.534 -8.787 217 2HB HIS 29 3HB HIS 29 -1.274 -1.916 -9.808 218 HD1 HIS 29 1HD HIS 29 -0.750 -1.477 -6.820 219 HD2 HIS 29 2HD HIS 29 -0.684 1.564 -9.726 220 HE1 HIS 29 1HE HIS 29 0.722 0.404 -5.905 221 H ARG 30 H ARG 30 -3.026 -2.997 -10.293 222 HA ARG 30 HA ARG 30 -5.100 -3.200 -12.199 223 1HB ARG 30 2HB ARG 30 -4.218 -4.523 -13.898 224 2HB ARG 30 3HB ARG 30 -3.208 -3.094 -13.826 225 1HG ARG 30 2HG ARG 30 -2.494 -5.878 -12.843 226 2HG ARG 30 3HG ARG 30 -1.983 -5.146 -14.342 227 1HD ARG 30 2HD ARG 30 -0.610 -3.532 -13.284 228 2HD ARG 30 3HD ARG 30 -1.198 -3.941 -11.664 229 HE ARG 30 HE ARG 30 -0.169 -6.342 -12.624 230 1HH1 ARG 30 2HH2 ARG 30 1.187 -3.080 -11.980 231 2HH1 ARG 30 1HH2 ARG 30 2.717 -3.808 -11.458 232 1HH2 ARG 30 2HH1 ARG 30 1.865 -7.101 -11.961 233 2HH2 ARG 30 1HH1 ARG 30 3.115 -5.913 -11.499 234 H GLY 31 H GLY 31 -2.554 -5.352 -10.791 235 1HA GLY 31 2HA GLY 31 -4.537 -7.403 -10.185 236 2HA GLY 31 1HA GLY 31 -2.809 -7.388 -9.793 237 H ILE 32 H ILE 32 -5.472 -5.203 -8.926 238 HA ILE 32 HA ILE 32 -4.805 -5.575 -6.045 239 HB ILE 32 HB ILE 32 -5.297 -3.302 -5.587 240 1HG1 ILE 32 2HG1 ILE 32 -5.242 -1.734 -7.765 241 2HG1 ILE 32 3HG1 ILE 32 -6.074 -3.106 -8.493 242 1HG2 ILE 32 1HG2 ILE 32 -3.236 -3.532 -7.797 243 2HG2 ILE 32 2HG2 ILE 32 -3.307 -2.291 -6.527 244 3HG2 ILE 32 3HG2 ILE 32 -3.000 -3.979 -6.096 245 1HD1 ILE 32 1HD1 ILE 32 -7.809 -2.936 -6.636 246 2HD1 ILE 32 2HD1 ILE 32 -6.902 -1.573 -5.975 247 3HD1 ILE 32 3HD1 ILE 32 -7.655 -1.456 -7.583 248 H LEU 33 H LEU 33 -6.472 -6.050 -4.781 249 HA LEU 33 HA LEU 33 -9.184 -6.333 -5.994 250 1HB LEU 33 2HB LEU 33 -7.992 -7.430 -3.419 251 2HB LEU 33 3HB LEU 33 -9.611 -7.765 -4.038 252 HG LEU 33 HG LEU 33 -7.012 -8.510 -5.485 253 1HD1 LEU 33 1HD1 LEU 33 -7.273 -9.733 -3.374 254 2HD1 LEU 33 2HD1 LEU 33 -8.911 -10.236 -3.857 255 3HD1 LEU 33 3HD1 LEU 33 -7.494 -10.797 -4.775 256 1HD2 LEU 33 1HD2 LEU 33 -8.830 -8.276 -7.088 257 2HD2 LEU 33 2HD2 LEU 33 -8.568 -9.995 -6.797 258 3HD2 LEU 33 3HD2 LEU 33 -9.942 -9.179 -6.030 259 H TYR 34 H TYR 34 -7.349 -4.875 -3.248 260 HA TYR 34 HA TYR 34 -9.385 -2.776 -3.039 261 1HB TYR 34 2HB TYR 34 -10.269 -4.737 -1.689 262 2HB TYR 34 3HB TYR 34 -8.800 -4.658 -0.716 263 HD1 TYR 34 HD1 TYR 34 -8.817 -3.412 1.264 264 HD2 TYR 34 HD2 TYR 34 -11.700 -2.542 -1.828 265 HE1 TYR 34 HE1 TYR 34 -10.015 -1.898 2.801 266 HE2 TYR 34 HE2 TYR 34 -12.836 -0.941 -0.304 267 HH TYR 34 HH TYR 34 -11.368 0.084 2.667 268 H CYS 35 H CYS 35 -8.601 -0.944 -1.803 269 HA CYS 35 HA CYS 35 -6.063 -1.281 -0.316 270 1HB CYS 35 2HB CYS 35 -5.101 0.702 -1.045 271 2HB CYS 35 3HB CYS 35 -5.498 -0.198 -2.523 272 HG CYS 35 HG CYS 35 -7.702 1.084 -3.036 273 H SER 36 H SER 36 -6.093 -0.361 1.627 274 HA SER 36 HA SER 36 -7.606 2.068 2.036 275 1HB SER 36 2HB SER 36 -8.222 -0.409 3.673 276 2HB SER 36 3HB SER 36 -8.506 1.239 4.278 277 HG SER 36 HG SER 36 -9.451 0.730 1.729 278 H VAL 37 H VAL 37 -6.171 3.417 3.044 279 HA VAL 37 HA VAL 37 -3.973 2.134 4.624 280 HB VAL 37 HB VAL 37 -2.407 3.675 3.769 281 1HG1 VAL 37 1HG1 VAL 37 -2.352 3.348 1.440 282 2HG1 VAL 37 2HG1 VAL 37 -3.138 1.889 2.079 283 3HG1 VAL 37 3HG1 VAL 37 -4.103 3.156 1.316 284 1HG2 VAL 37 1HG2 VAL 37 -3.682 5.752 3.834 285 2HG2 VAL 37 2HG2 VAL 37 -3.074 5.502 2.182 286 3HG2 VAL 37 3HG2 VAL 37 -4.764 5.141 2.566 287 H ALA 38 H ALA 38 -3.125 3.341 6.415 288 HA ALA 38 HA ALA 38 -4.890 5.509 7.444 289 1HB ALA 38 1HB ALA 38 -5.132 4.423 9.611 290 2HB ALA 38 2HB ALA 38 -5.841 3.407 8.338 291 3HB ALA 38 3HB ALA 38 -4.254 2.997 9.033 292 H LEU 39 H LEU 39 -3.640 7.108 8.076 293 HA LEU 39 HA LEU 39 -0.788 6.820 8.499 294 1HB LEU 39 2HB LEU 39 -0.863 9.260 8.931 295 2HB LEU 39 3HB LEU 39 -1.434 8.721 7.358 296 HG LEU 39 HG LEU 39 -3.770 9.117 7.986 297 1HD1 LEU 39 1HD1 LEU 39 -3.858 8.872 10.386 298 2HD1 LEU 39 2HD1 LEU 39 -2.572 10.086 10.621 299 3HD1 LEU 39 3HD1 LEU 39 -4.178 10.564 10.037 300 1HD2 LEU 39 1HD2 LEU 39 -2.369 10.838 6.886 301 2HD2 LEU 39 2HD2 LEU 39 -3.607 11.554 7.929 302 3HD2 LEU 39 3HD2 LEU 39 -1.917 11.480 8.477 303 H ALA 40 H ALA 40 -3.517 6.543 10.569 304 HA ALA 40 HA ALA 40 -2.187 7.269 13.041 305 1HB ALA 40 1HB ALA 40 -4.051 6.044 14.095 306 2HB ALA 40 2HB ALA 40 -4.637 7.182 12.866 307 3HB ALA 40 3HB ALA 40 -4.575 5.441 12.509 308 H THR 41 H THR 41 -2.892 4.140 11.362 309 HA THR 41 HA THR 41 -1.136 2.639 13.093 310 HB THR 41 HB THR 41 -2.083 1.653 10.426 311 HG1 THR 41 1HG THR 41 -3.812 2.283 12.562 312 1HG2 THR 41 1HG2 THR 41 -2.210 0.490 13.248 313 2HG2 THR 41 2HG2 THR 41 -2.627 -0.367 11.751 314 3HG2 THR 41 3HG2 THR 41 -0.952 0.139 12.044 315 H ASN 42 H ASN 42 -0.884 4.376 10.060 316 HA ASN 42 HA ASN 42 0.743 4.790 8.582 317 1HB ASN 42 2HB ASN 42 2.731 3.474 10.503 318 2HB ASN 42 3HB ASN 42 3.113 4.470 9.097 319 1HD2 ASN 42 1HD2 ASN 42 1.771 6.655 9.092 320 2HD2 ASN 42 2HD2 ASN 42 1.455 7.349 10.668 321 H LYS 43 H LYS 43 -0.935 2.857 7.991 322 HA LYS 43 HA LYS 43 0.739 0.673 6.938 323 1HB LYS 43 2HB LYS 43 -0.035 -0.940 8.211 324 2HB LYS 43 3HB LYS 43 -0.736 0.246 9.270 325 1HG LYS 43 2HG LYS 43 -2.117 -1.271 7.004 326 2HG LYS 43 3HG LYS 43 -2.292 -1.515 8.736 327 1HD LYS 43 2HD LYS 43 -2.919 1.214 8.357 328 2HD LYS 43 3HD LYS 43 -3.667 0.423 6.980 329 1HE LYS 43 2HE LYS 43 -4.082 -0.381 9.905 330 2HE LYS 43 3HE LYS 43 -5.166 0.655 8.977 331 1HZ LYS 43 1HZ LYS 43 -4.581 -2.179 8.310 332 2HZ LYS 43 2HZ LYS 43 -5.925 -1.618 9.017 333 3HZ LYS 43 3HZ LYS 43 -5.568 -1.180 7.479 334 H ALA 44 H ALA 44 -0.065 -0.429 5.208 335 HA ALA 44 HA ALA 44 -2.419 0.821 3.850 336 1HB ALA 44 1HB ALA 44 0.179 -0.145 2.624 337 2HB ALA 44 2HB ALA 44 -1.271 0.370 1.728 338 3HB ALA 44 3HB ALA 44 -0.397 1.542 2.756 339 H HIS 45 H HIS 45 -3.971 -0.576 4.275 340 HA HIS 45 HA HIS 45 -3.518 -3.509 4.099 341 1HB HIS 45 2HB HIS 45 -4.969 -2.407 5.854 342 2HB HIS 45 3HB HIS 45 -6.086 -1.947 4.568 343 HD1 HIS 45 1HD HIS 45 -5.710 -4.571 7.003 344 HD2 HIS 45 2HD HIS 45 -6.371 -4.425 2.877 345 HE1 HIS 45 1HE HIS 45 -6.808 -6.809 6.374 346 H ILE 46 H ILE 46 -2.744 -3.536 2.038 347 HA ILE 46 HA ILE 46 -4.737 -3.029 -0.101 348 HB ILE 46 HB ILE 46 -3.066 -3.446 -1.679 349 1HG1 ILE 46 2HG1 ILE 46 -1.321 -4.463 0.599 350 2HG1 ILE 46 3HG1 ILE 46 -1.909 -5.363 -0.813 351 1HG2 ILE 46 1HG2 ILE 46 -1.551 -1.655 -1.247 352 2HG2 ILE 46 2HG2 ILE 46 -3.053 -1.248 -0.404 353 3HG2 ILE 46 3HG2 ILE 46 -1.658 -1.874 0.510 354 1HD1 ILE 46 1HD1 ILE 46 0.165 -3.160 -0.763 355 2HD1 ILE 46 2HD1 ILE 46 0.354 -4.838 -1.291 356 3HD1 ILE 46 3HD1 ILE 46 -0.624 -3.726 -2.262 357 H LYS 47 H LYS 47 -5.727 -4.719 -1.110 358 HA LYS 47 HA LYS 47 -4.915 -7.471 -0.364 359 1HB LYS 47 2HB LYS 47 -7.711 -6.516 -1.060 360 2HB LYS 47 3HB LYS 47 -7.155 -8.198 -1.033 361 1HG LYS 47 2HG LYS 47 -6.353 -7.628 1.403 362 2HG LYS 47 3HG LYS 47 -7.498 -6.285 1.308 363 1HD LYS 47 2HD LYS 47 -9.340 -7.874 0.813 364 2HD LYS 47 3HD LYS 47 -8.169 -9.189 0.660 365 1HE LYS 47 2HE LYS 47 -7.522 -8.660 3.133 366 2HE LYS 47 3HE LYS 47 -9.077 -7.821 3.203 367 1HZ LYS 47 1HZ LYS 47 -9.178 -10.190 3.853 368 2HZ LYS 47 2HZ LYS 47 -10.105 -9.922 2.510 369 3HZ LYS 47 3HZ LYS 47 -8.653 -10.634 2.358 370 H TYR 48 H TYR 48 -4.202 -8.601 -2.123 371 HA TYR 48 HA TYR 48 -4.427 -7.325 -4.791 372 1HB TYR 48 2HB TYR 48 -2.107 -7.151 -5.038 373 2HB TYR 48 3HB TYR 48 -2.463 -6.390 -3.502 374 HD1 TYR 48 HD1 TYR 48 -0.501 -8.930 -5.204 375 HD2 TYR 48 HD2 TYR 48 -2.047 -7.791 -1.348 376 HE1 TYR 48 HE1 TYR 48 1.287 -10.217 -4.115 377 HE2 TYR 48 HE2 TYR 48 -0.506 -9.445 -0.291 378 HH TYR 48 HH TYR 48 1.987 -11.180 -2.136 379 H ASP 49 H ASP 49 -3.588 -8.606 -6.515 380 HA ASP 49 HA ASP 49 -4.186 -11.476 -6.234 381 1HB ASP 49 2HB ASP 49 -3.607 -9.704 -8.632 382 2HB ASP 49 3HB ASP 49 -4.097 -11.407 -8.693 383 HA PRO 50 HA PRO 50 0.371 -11.482 -5.825 384 1HB PRO 50 2HB PRO 50 0.758 -13.815 -4.505 385 2HB PRO 50 3HB PRO 50 -0.139 -12.472 -3.747 386 1HG PRO 50 2HG PRO 50 -1.326 -14.843 -5.216 387 2HG PRO 50 3HG PRO 50 -1.727 -14.261 -3.570 388 1HD PRO 50 2HD PRO 50 -3.173 -13.529 -5.777 389 2HD PRO 50 3HD PRO 50 -2.893 -12.416 -4.410 390 H GLU 51 H GLU 51 -0.156 -11.664 -8.277 391 HA GLU 51 HA GLU 51 1.529 -13.556 -9.568 392 1HB GLU 51 2HB GLU 51 -0.294 -14.751 -10.865 393 2HB GLU 51 3HB GLU 51 -0.068 -15.244 -9.194 394 1HG GLU 51 2HG GLU 51 -2.069 -13.798 -8.555 395 2HG GLU 51 3HG GLU 51 -2.347 -13.576 -10.293 396 H ILE 52 H ILE 52 -1.422 -11.550 -9.936 397 HA ILE 52 HA ILE 52 -0.539 -10.451 -12.494 398 HB ILE 52 HB ILE 52 -2.617 -9.333 -10.619 399 1HG1 ILE 52 2HG1 ILE 52 -3.066 -11.439 -12.760 400 2HG1 ILE 52 3HG1 ILE 52 -3.248 -11.639 -11.008 401 1HG2 ILE 52 1HG2 ILE 52 -1.776 -7.929 -12.585 402 2HG2 ILE 52 2HG2 ILE 52 -2.432 -9.168 -13.658 403 3HG2 ILE 52 3HG2 ILE 52 -3.505 -8.229 -12.596 404 1HD1 ILE 52 1HD1 ILE 52 -5.439 -11.314 -11.833 405 2HD1 ILE 52 2HD1 ILE 52 -4.981 -9.797 -11.028 406 3HD1 ILE 52 3HD1 ILE 52 -4.971 -9.909 -12.802 407 H ILE 53 H ILE 53 -0.309 -9.516 -9.013 408 HA ILE 53 HA ILE 53 1.622 -7.435 -9.773 409 HB ILE 53 HB ILE 53 -0.801 -6.601 -9.147 410 1HG1 ILE 53 2HG1 ILE 53 1.395 -5.275 -7.611 411 2HG1 ILE 53 3HG1 ILE 53 1.364 -5.244 -9.388 412 1HG2 ILE 53 1HG2 ILE 53 -0.995 -7.889 -7.061 413 2HG2 ILE 53 2HG2 ILE 53 0.395 -6.994 -6.367 414 3HG2 ILE 53 3HG2 ILE 53 -1.097 -6.144 -6.762 415 1HD1 ILE 53 1HD1 ILE 53 -0.930 -4.260 -9.282 416 2HD1 ILE 53 2HD1 ILE 53 -0.738 -4.105 -7.521 417 3HD1 ILE 53 3HD1 ILE 53 0.358 -3.238 -8.605 418 H GLY 54 H GLY 54 3.463 -7.702 -8.751 419 1HA GLY 54 2HA GLY 54 3.783 -9.803 -6.679 420 2HA GLY 54 1HA GLY 54 5.042 -8.784 -7.420 421 HA PRO 55 HA PRO 55 3.601 -6.848 -3.330 422 1HB PRO 55 2HB PRO 55 5.946 -7.109 -1.897 423 2HB PRO 55 3HB PRO 55 4.640 -8.327 -1.897 424 1HG PRO 55 2HG PRO 55 7.181 -8.377 -3.526 425 2HG PRO 55 3HG PRO 55 6.435 -9.700 -2.592 426 1HD PRO 55 2HD PRO 55 6.075 -9.462 -5.290 427 2HD PRO 55 3HD PRO 55 4.762 -10.044 -4.230 428 H ARG 56 H ARG 56 6.849 -6.832 -4.907 429 HA ARG 56 HA ARG 56 7.304 -4.199 -4.050 430 1HB ARG 56 2HB ARG 56 9.113 -5.746 -4.322 431 2HB ARG 56 3HB ARG 56 8.935 -5.704 -6.092 432 1HG ARG 56 2HG ARG 56 9.611 -3.473 -6.229 433 2HG ARG 56 3HG ARG 56 9.210 -3.111 -4.541 434 1HD ARG 56 2HD ARG 56 11.183 -4.346 -3.753 435 2HD ARG 56 3HD ARG 56 11.574 -4.779 -5.419 436 HE ARG 56 HE ARG 56 12.097 -2.569 -5.966 437 1HH1 ARG 56 2HH2 ARG 56 11.142 -2.602 -2.518 438 2HH1 ARG 56 1HH2 ARG 56 11.308 -0.860 -2.396 439 1HH2 ARG 56 2HH1 ARG 56 12.184 -0.416 -5.747 440 2HH2 ARG 56 1HH1 ARG 56 11.993 0.389 -4.215 441 H ASP 57 H ASP 57 5.599 -5.278 -6.858 442 HA ASP 57 HA ASP 57 5.640 -3.058 -8.597 443 1HB ASP 57 2HB ASP 57 3.467 -4.875 -7.545 444 2HB ASP 57 3HB ASP 57 3.066 -3.544 -8.635 445 H ILE 58 H ILE 58 3.638 -3.574 -5.646 446 HA ILE 58 HA ILE 58 2.460 -0.956 -5.767 447 HB ILE 58 HB ILE 58 2.682 -2.911 -3.432 448 1HG1 ILE 58 2HG1 ILE 58 0.013 -2.775 -4.368 449 2HG1 ILE 58 3HG1 ILE 58 0.975 -2.827 -5.843 450 1HG2 ILE 58 1HG2 ILE 58 0.760 -1.639 -2.480 451 2HG2 ILE 58 2HG2 ILE 58 2.262 -0.730 -2.516 452 3HG2 ILE 58 3HG2 ILE 58 1.005 -0.399 -3.725 453 1HD1 ILE 58 1HD1 ILE 58 2.116 -4.840 -5.028 454 2HD1 ILE 58 2HD1 ILE 58 1.244 -4.752 -3.489 455 3HD1 ILE 58 3HD1 ILE 58 0.352 -5.077 -4.989 456 H ILE 59 H ILE 59 5.084 -2.389 -3.825 457 HA ILE 59 HA ILE 59 5.574 -0.128 -2.238 458 HB ILE 59 HB ILE 59 7.390 -2.344 -3.128 459 1HG1 ILE 59 2HG1 ILE 59 6.148 -1.845 -0.386 460 2HG1 ILE 59 3HG1 ILE 59 5.224 -2.686 -1.634 461 1HG2 ILE 59 1HG2 ILE 59 7.867 -0.155 -1.105 462 2HG2 ILE 59 2HG2 ILE 59 8.824 -1.652 -1.181 463 3HG2 ILE 59 3HG2 ILE 59 8.814 -0.547 -2.558 464 1HD1 ILE 59 1HD1 ILE 59 6.919 -4.398 -1.854 465 2HD1 ILE 59 2HD1 ILE 59 7.916 -3.623 -0.601 466 3HD1 ILE 59 3HD1 ILE 59 6.321 -4.289 -0.189 467 H HIS 60 H HIS 60 6.896 -0.893 -5.519 468 HA HIS 60 HA HIS 60 8.583 1.374 -5.749 469 1HB HIS 60 2HB HIS 60 7.059 -0.328 -7.728 470 2HB HIS 60 3HB HIS 60 7.708 1.220 -8.264 471 HD1 HIS 60 1HD HIS 60 9.762 0.490 -9.673 472 HD2 HIS 60 2HD HIS 60 9.578 -1.048 -5.775 473 HE1 HIS 60 1HE HIS 60 12.051 -0.535 -9.192 474 H THR 61 H THR 61 5.005 1.191 -6.048 475 HA THR 61 HA THR 61 4.827 3.917 -7.050 476 HB THR 61 HB THR 61 2.685 2.276 -5.635 477 HG1 THR 61 1HG THR 61 2.097 1.800 -7.801 478 1HG2 THR 61 1HG2 THR 61 1.143 3.750 -6.887 479 2HG2 THR 61 2HG2 THR 61 2.162 4.693 -5.793 480 3HG2 THR 61 3HG2 THR 61 2.524 4.660 -7.533 481 H ILE 62 H ILE 62 4.430 2.365 -3.860 482 HA ILE 62 HA ILE 62 3.882 4.685 -2.324 483 HB ILE 62 HB ILE 62 4.719 1.879 -1.873 484 1HG1 ILE 62 2HG1 ILE 62 2.908 1.892 -0.286 485 2HG1 ILE 62 3HG1 ILE 62 2.760 3.656 -0.389 486 1HG2 ILE 62 1HG2 ILE 62 6.413 2.846 -0.421 487 2HG2 ILE 62 2HG2 ILE 62 5.171 3.844 0.379 488 3HG2 ILE 62 3HG2 ILE 62 5.118 2.089 0.508 489 1HD1 ILE 62 1HD1 ILE 62 1.971 3.461 -2.722 490 2HD1 ILE 62 2HD1 ILE 62 2.315 1.717 -2.711 491 3HD1 ILE 62 3HD1 ILE 62 1.031 2.377 -1.686 492 H GLU 63 H GLU 63 7.083 3.184 -2.928 493 HA GLU 63 HA GLU 63 8.693 5.193 -1.755 494 1HB GLU 63 2HB GLU 63 9.176 3.305 -4.099 495 2HB GLU 63 3HB GLU 63 10.427 4.316 -3.370 496 1HG GLU 63 2HG GLU 63 10.190 3.188 -1.222 497 2HG GLU 63 3HG GLU 63 8.833 2.228 -1.821 498 H SER 64 H SER 64 7.690 4.802 -5.195 499 HA SER 64 HA SER 64 9.062 7.113 -6.065 500 1HB SER 64 2HB SER 64 8.407 5.220 -7.539 501 2HB SER 64 3HB SER 64 6.713 5.748 -7.425 502 HG SER 64 HG SER 64 7.730 7.887 -8.139 503 H LEU 65 H LEU 65 5.841 6.865 -4.604 504 HA LEU 65 HA LEU 65 5.111 9.606 -5.318 505 1HB LEU 65 2HB LEU 65 4.206 7.661 -3.175 506 2HB LEU 65 3HB LEU 65 3.537 9.296 -3.334 507 HG LEU 65 HG LEU 65 3.489 7.303 -5.635 508 1HD1 LEU 65 1HD1 LEU 65 1.403 7.742 -3.456 509 2HD1 LEU 65 2HD1 LEU 65 1.181 6.768 -4.923 510 3HD1 LEU 65 3HD1 LEU 65 2.378 6.275 -3.711 511 1HD2 LEU 65 1HD2 LEU 65 1.827 9.780 -4.990 512 2HD2 LEU 65 2HD2 LEU 65 3.066 9.654 -6.257 513 3HD2 LEU 65 3HD2 LEU 65 1.583 8.699 -6.377 514 H GLY 66 H GLY 66 5.392 8.756 -1.880 515 1HA GLY 66 2HA GLY 66 8.010 9.919 -1.597 516 2HA GLY 66 1HA GLY 66 6.749 11.029 -1.027 517 H PHE 67 H PHE 67 6.743 7.386 -0.829 518 HA PHE 67 HA PHE 67 6.533 7.718 2.152 519 1HB PHE 67 2HB PHE 67 4.837 5.997 0.333 520 2HB PHE 67 3HB PHE 67 4.662 6.210 2.075 521 HD1 PHE 67 1HD PHE 67 4.573 8.872 2.730 522 HD2 PHE 67 2HD PHE 67 3.347 7.189 -1.033 523 HE1 PHE 67 1HE PHE 67 3.223 10.892 2.279 524 HE2 PHE 67 2HE PHE 67 1.963 9.206 -1.477 525 HZ PHE 67 HZ PHE 67 1.852 11.029 0.219 526 H GLU 68 H GLU 68 7.831 6.418 3.262 527 HA GLU 68 HA GLU 68 9.394 4.370 1.908 528 1HB GLU 68 2HB GLU 68 9.273 4.766 4.910 529 2HB GLU 68 3HB GLU 68 10.593 4.180 3.902 530 1HG GLU 68 2HG GLU 68 11.376 6.292 4.296 531 2HG GLU 68 3HG GLU 68 10.423 6.673 2.863 532 H ALA 69 H ALA 69 9.444 2.072 2.737 533 HA ALA 69 HA ALA 69 6.730 1.091 3.538 534 1HB ALA 69 1HB ALA 69 7.059 -0.684 1.839 535 2HB ALA 69 2HB ALA 69 7.033 0.925 1.092 536 3HB ALA 69 3HB ALA 69 8.575 0.080 1.330 537 H SER 70 H SER 70 6.739 -0.613 4.989 538 HA SER 70 HA SER 70 9.018 -2.437 5.027 539 1HB SER 70 2HB SER 70 9.668 -0.632 6.679 540 2HB SER 70 3HB SER 70 8.211 -1.046 7.614 541 HG SER 70 HG SER 70 9.985 -2.229 8.386 542 H LEU 71 H LEU 71 8.114 -4.471 5.168 543 HA LEU 71 HA LEU 71 5.274 -4.758 5.872 544 1HB LEU 71 2HB LEU 71 5.516 -7.065 5.316 545 2HB LEU 71 3HB LEU 71 6.242 -6.060 4.071 546 HG LEU 71 HG LEU 71 8.485 -6.562 5.527 547 1HD1 LEU 71 1HD1 LEU 71 8.484 -8.909 6.270 548 2HD1 LEU 71 2HD1 LEU 71 7.288 -8.006 7.204 549 3HD1 LEU 71 3HD1 LEU 71 6.760 -9.062 5.883 550 1HD2 LEU 71 1HD2 LEU 71 7.234 -8.437 3.478 551 2HD2 LEU 71 2HD2 LEU 71 8.198 -6.986 3.125 552 3HD2 LEU 71 3HD2 LEU 71 8.954 -8.376 3.919 553 H VAL 72 H VAL 72 4.468 -5.733 7.740 554 HA VAL 72 HA VAL 72 6.291 -6.453 9.935 555 HB VAL 72 HB VAL 72 4.919 -5.086 11.492 556 1HG1 VAL 72 1HG1 VAL 72 7.117 -4.256 10.642 557 2HG1 VAL 72 2HG1 VAL 72 6.266 -3.357 9.370 558 3HG1 VAL 72 3HG1 VAL 72 5.999 -2.952 11.077 559 1HG2 VAL 72 1HG2 VAL 72 3.786 -3.719 9.009 560 2HG2 VAL 72 2HG2 VAL 72 2.876 -4.757 10.127 561 3HG2 VAL 72 3HG2 VAL 72 3.548 -3.227 10.694 562 H LYS 73 H LYS 73 5.200 -7.925 11.360 563 HA LYS 73 HA LYS 73 2.441 -8.674 10.670 564 1HB LYS 73 2HB LYS 73 4.815 -10.475 10.143 565 2HB LYS 73 3HB LYS 73 3.284 -11.195 10.613 566 1HG LYS 73 2HG LYS 73 3.771 -9.484 8.160 567 2HG LYS 73 3HG LYS 73 3.495 -11.217 8.222 568 1HD LYS 73 2HD LYS 73 1.466 -8.990 8.707 569 2HD LYS 73 3HD LYS 73 1.511 -10.210 7.463 570 1HE LYS 73 2HE LYS 73 -0.124 -11.097 8.779 571 2HE LYS 73 3HE LYS 73 1.276 -11.970 9.407 572 1HZ LYS 73 1HZ LYS 73 1.258 -10.411 11.306 573 2HZ LYS 73 2HZ LYS 73 0.044 -9.557 10.613 574 3HZ LYS 73 3HZ LYS 73 -0.208 -11.095 11.118 575 H ILE 74 H ILE 74 5.144 -9.107 12.921 576 HA ILE 74 HA ILE 74 3.154 -9.726 15.041 577 HB ILE 74 HB ILE 74 5.858 -11.098 14.625 578 1HG1 ILE 74 2HG1 ILE 74 3.057 -12.303 14.757 579 2HG1 ILE 74 3HG1 ILE 74 3.968 -12.027 13.265 580 1HG2 ILE 74 1HG2 ILE 74 3.883 -11.320 16.939 581 2HG2 ILE 74 2HG2 ILE 74 5.402 -12.228 16.769 582 3HG2 ILE 74 3HG2 ILE 74 5.451 -10.489 17.003 583 1HD1 ILE 74 1HD1 ILE 74 4.249 -14.313 13.834 584 2HD1 ILE 74 2HD1 ILE 74 5.797 -13.485 14.100 585 3HD1 ILE 74 3HD1 ILE 74 4.765 -13.931 15.483 586 H GLU 75 H GLU 75 6.582 -9.172 14.430 587 HA GLU 75 HA GLU 75 6.322 -6.353 15.232 588 1HB GLU 75 2HB GLU 75 8.845 -8.001 14.711 589 2HB GLU 75 3HB GLU 75 8.770 -6.257 15.001 590 1HG GLU 75 2HG GLU 75 7.853 -6.675 17.277 591 2HG GLU 75 3HG GLU 75 7.942 -8.423 16.999 Start of MODEL 27 1 1H MET 1 H1 MET 1 -6.251 -17.616 -3.611 2 2H MET 1 H2 MET 1 -5.396 -18.923 -3.033 3 3H MET 1 H3 MET 1 -4.802 -17.366 -3.084 4 HA MET 1 HA MET 1 -3.931 -18.860 -4.905 5 1HB MET 1 2HB MET 1 -6.838 -18.543 -5.782 6 2HB MET 1 3HB MET 1 -5.521 -19.089 -6.838 7 1HG MET 1 2HG MET 1 -5.129 -21.024 -5.372 8 2HG MET 1 3HG MET 1 -6.444 -20.496 -4.304 9 1HE MET 1 1HE MET 1 -7.928 -23.694 -5.963 10 2HE MET 1 2HE MET 1 -6.229 -23.422 -5.509 11 3HE MET 1 3HE MET 1 -7.541 -22.875 -4.432 12 H GLY 2 H GLY 2 -6.172 -16.817 -6.679 13 1HA GLY 2 2HA GLY 2 -4.063 -14.878 -7.256 14 2HA GLY 2 1HA GLY 2 -5.732 -14.895 -7.857 15 H ASP 3 H ASP 3 -3.975 -14.581 -4.740 16 HA ASP 3 HA ASP 3 -5.389 -12.230 -3.832 17 1HB ASP 3 3HB ASP 3 -6.505 -13.508 -1.920 18 2HB ASP 3 2HB ASP 3 -7.238 -13.705 -3.514 19 H GLY 4 H GLY 4 -4.807 -11.828 -1.545 20 1HA GLY 4 2HA GLY 4 -2.806 -13.013 -0.007 21 2HA GLY 4 1HA GLY 4 -1.995 -11.981 -1.216 22 H VAL 5 H VAL 5 -2.235 -11.517 1.701 23 HA VAL 5 HA VAL 5 -3.913 -9.042 1.826 24 HB VAL 5 HB VAL 5 -4.161 -9.582 4.237 25 1HG1 VAL 5 1HG1 VAL 5 -5.944 -10.053 2.582 26 2HG1 VAL 5 2HG1 VAL 5 -5.280 -11.675 2.320 27 3HG1 VAL 5 3HG1 VAL 5 -5.945 -11.228 3.903 28 1HG2 VAL 5 1HG2 VAL 5 -3.888 -11.874 5.026 29 2HG2 VAL 5 2HG2 VAL 5 -3.190 -12.383 3.481 30 3HG2 VAL 5 3HG2 VAL 5 -2.310 -11.264 4.539 31 H LEU 6 H LEU 6 -2.106 -7.797 1.037 32 HA LEU 6 HA LEU 6 0.397 -7.953 2.523 33 1HB LEU 6 2HB LEU 6 -0.108 -7.417 -0.051 34 2HB LEU 6 3HB LEU 6 -0.097 -5.768 0.520 35 HG LEU 6 HG LEU 6 2.098 -7.873 0.809 36 1HD1 LEU 6 1HD1 LEU 6 1.836 -6.869 -1.425 37 2HD1 LEU 6 2HD1 LEU 6 1.961 -5.239 -0.725 38 3HD1 LEU 6 3HD1 LEU 6 3.352 -6.336 -0.661 39 1HD2 LEU 6 1HD2 LEU 6 3.490 -6.046 1.759 40 2HD2 LEU 6 2HD2 LEU 6 2.044 -5.007 1.832 41 3HD2 LEU 6 3HD2 LEU 6 2.160 -6.467 2.837 42 H GLU 7 H GLU 7 -0.526 -7.466 4.574 43 HA GLU 7 HA GLU 7 -1.084 -4.599 5.169 44 1HB GLU 7 2HB GLU 7 -2.325 -6.274 6.363 45 2HB GLU 7 3HB GLU 7 -0.841 -7.011 6.980 46 1HG GLU 7 2HG GLU 7 -1.314 -4.042 7.423 47 2HG GLU 7 3HG GLU 7 -2.199 -5.223 8.408 48 H LEU 8 H LEU 8 0.517 -3.211 5.185 49 HA LEU 8 HA LEU 8 3.001 -3.937 6.587 50 1HB LEU 8 2HB LEU 8 4.387 -2.729 4.897 51 2HB LEU 8 3HB LEU 8 3.688 -4.259 4.362 52 HG LEU 8 HG LEU 8 1.960 -2.998 3.063 53 1HD1 LEU 8 1HD1 LEU 8 2.452 -0.633 2.495 54 2HD1 LEU 8 2HD1 LEU 8 1.997 -0.786 4.191 55 3HD1 LEU 8 3HD1 LEU 8 3.706 -0.591 3.744 56 1HD2 LEU 8 1HD2 LEU 8 4.123 -3.864 2.085 57 2HD2 LEU 8 2HD2 LEU 8 3.529 -2.412 1.265 58 3HD2 LEU 8 3HD2 LEU 8 4.865 -2.301 2.429 59 H VAL 9 H VAL 9 4.294 -1.849 7.030 60 HA VAL 9 HA VAL 9 2.423 0.225 7.911 61 HB VAL 9 HB VAL 9 5.020 -0.812 8.875 62 1HG1 VAL 9 1HG1 VAL 9 4.475 2.168 9.047 63 2HG1 VAL 9 2HG1 VAL 9 5.704 1.269 9.958 64 3HG1 VAL 9 3HG1 VAL 9 5.830 1.377 8.200 65 1HG2 VAL 9 1HG2 VAL 9 4.074 -0.227 11.038 66 2HG2 VAL 9 2HG2 VAL 9 2.812 0.742 10.292 67 3HG2 VAL 9 3HG2 VAL 9 2.813 -1.024 10.074 68 H VAL 10 H VAL 10 2.653 2.319 7.201 69 HA VAL 10 HA VAL 10 4.563 2.897 4.996 70 HB VAL 10 HB VAL 10 2.609 4.588 4.334 71 1HG1 VAL 10 1HG1 VAL 10 2.728 1.685 3.468 72 2HG1 VAL 10 2HG1 VAL 10 1.948 3.009 2.572 73 3HG1 VAL 10 3HG1 VAL 10 3.701 3.034 2.846 74 1HG2 VAL 10 1HG2 VAL 10 0.398 3.644 4.494 75 2HG2 VAL 10 2HG2 VAL 10 1.039 2.141 5.188 76 3HG2 VAL 10 3HG2 VAL 10 1.061 3.635 6.143 77 H ARG 11 H ARG 11 5.724 4.625 5.281 78 HA ARG 11 HA ARG 11 5.249 6.385 7.643 79 1HB ARG 11 2HB ARG 11 7.754 5.076 6.524 80 2HB ARG 11 3HB ARG 11 7.788 6.369 7.736 81 1HG ARG 11 2HG ARG 11 6.777 5.024 9.400 82 2HG ARG 11 3HG ARG 11 6.119 3.874 8.243 83 1HD ARG 11 2HD ARG 11 8.063 2.961 9.526 84 2HD ARG 11 3HD ARG 11 8.189 2.910 7.762 85 HE ARG 11 HE ARG 11 9.400 5.168 9.304 86 1HH1 ARG 11 2HH2 ARG 11 10.077 2.215 7.388 87 2HH1 ARG 11 1HH2 ARG 11 11.458 2.942 6.600 88 1HH2 ARG 11 2HH1 ARG 11 11.261 6.052 8.259 89 2HH2 ARG 11 1HH1 ARG 11 11.943 5.200 6.915 90 H GLY 12 H GLY 12 5.705 8.527 7.320 91 1HA GLY 12 2HA GLY 12 6.420 10.405 5.883 92 2HA GLY 12 1HA GLY 12 5.879 9.456 4.484 93 H MET 13 H MET 13 3.868 10.130 3.848 94 HA MET 13 HA MET 13 1.804 10.968 3.849 95 1HB MET 13 2HB MET 13 1.537 9.132 6.235 96 2HB MET 13 3HB MET 13 0.179 9.866 5.361 97 1HG MET 13 2HG MET 13 0.941 8.811 3.262 98 2HG MET 13 3HG MET 13 2.191 7.935 4.154 99 1HE MET 13 1HE MET 13 0.030 5.615 6.443 100 2HE MET 13 2HE MET 13 1.675 6.069 5.922 101 3HE MET 13 3HE MET 13 0.689 7.212 6.843 102 H THR 14 H THR 14 2.841 13.101 4.403 103 HA THR 14 HA THR 14 2.650 14.172 7.030 104 HB THR 14 HB THR 14 2.659 16.377 5.567 105 HG1 THR 14 1HG THR 14 2.054 15.372 3.605 106 1HG2 THR 14 1HG2 THR 14 5.076 16.052 5.132 107 2HG2 THR 14 2HG2 THR 14 4.634 15.476 6.752 108 3HG2 THR 14 3HG2 THR 14 4.906 14.311 5.436 109 H CYS 15 H CYS 15 0.141 13.742 4.528 110 HA CYS 15 HA CYS 15 -1.912 14.763 6.318 111 1HB CYS 15 2HB CYS 15 -2.536 16.539 4.510 112 2HB CYS 15 3HB CYS 15 -1.241 16.906 5.643 113 H ALA 16 H ALA 16 -4.036 14.836 5.110 114 HA ALA 16 HA ALA 16 -4.764 12.398 4.023 115 1HB ALA 16 1HB ALA 16 -6.365 14.066 4.865 116 2HB ALA 16 2HB ALA 16 -6.012 15.125 3.477 117 3HB ALA 16 3HB ALA 16 -6.793 13.552 3.219 118 H SER 17 H SER 17 -3.601 15.311 2.334 119 HA SER 17 HA SER 17 -3.908 14.815 -0.304 120 1HB SER 17 2HB SER 17 -1.323 15.836 0.894 121 2HB SER 17 3HB SER 17 -2.200 16.443 -0.522 122 HG SER 17 HG SER 17 -2.358 17.553 1.696 123 H CYS 18 H CYS 18 -1.598 13.242 1.905 124 HA CYS 18 HA CYS 18 -0.239 11.715 -0.193 125 1HB CYS 18 2HB CYS 18 -0.233 11.395 2.823 126 2HB CYS 18 3HB CYS 18 0.872 10.667 1.662 127 H VAL 19 H VAL 19 -2.401 11.044 2.550 128 HA VAL 19 HA VAL 19 -2.672 8.315 2.304 129 HB VAL 19 HB VAL 19 -4.849 10.277 3.153 130 1HG1 VAL 19 1HG1 VAL 19 -5.710 8.485 4.550 131 2HG1 VAL 19 2HG1 VAL 19 -5.695 7.934 2.872 132 3HG1 VAL 19 3HG1 VAL 19 -4.418 7.403 4.004 133 1HG2 VAL 19 1HG2 VAL 19 -3.963 9.861 5.449 134 2HG2 VAL 19 2HG2 VAL 19 -2.628 8.919 4.756 135 3HG2 VAL 19 3HG2 VAL 19 -2.763 10.660 4.434 136 H HIS 20 H HIS 20 -4.961 10.698 0.874 137 HA HIS 20 HA HIS 20 -6.508 8.704 -0.427 138 1HB HIS 20 2HB HIS 20 -7.736 10.382 -1.394 139 2HB HIS 20 3HB HIS 20 -7.188 11.099 0.117 140 HD1 HIS 20 1HD HIS 20 -7.990 12.475 -2.885 141 HD2 HIS 20 2HD HIS 20 -4.275 12.119 -0.974 142 HE1 HIS 20 1HE HIS 20 -6.469 14.251 -3.909 143 H LYS 21 H LYS 21 -3.483 10.191 -1.313 144 HA LYS 21 HA LYS 21 -3.713 9.830 -4.189 145 1HB LYS 21 2HB LYS 21 -2.459 11.592 -3.001 146 2HB LYS 21 3HB LYS 21 -1.287 10.406 -2.433 147 1HG LYS 21 2HG LYS 21 -0.646 9.823 -4.681 148 2HG LYS 21 3HG LYS 21 -1.768 10.990 -5.377 149 1HD LYS 21 2HD LYS 21 0.369 11.798 -3.335 150 2HD LYS 21 3HD LYS 21 0.744 11.645 -5.045 151 1HE LYS 21 2HE LYS 21 0.334 13.953 -4.450 152 2HE LYS 21 3HE LYS 21 -0.792 13.372 -5.684 153 1HZ LYS 21 1HZ LYS 21 -1.806 14.748 -3.901 154 2HZ LYS 21 2HZ LYS 21 -2.512 13.280 -4.047 155 3HZ LYS 21 3HZ LYS 21 -1.503 13.562 -2.804 156 H ILE 22 H ILE 22 -2.006 8.313 -1.425 157 HA ILE 22 HA ILE 22 -0.838 6.141 -2.854 158 HB ILE 22 HB ILE 22 -1.867 6.245 0.010 159 1HG1 ILE 22 2HG1 ILE 22 0.999 6.514 -0.989 160 2HG1 ILE 22 3HG1 ILE 22 -0.038 7.916 -0.705 161 1HG2 ILE 22 1HG2 ILE 22 -0.290 4.311 0.364 162 2HG2 ILE 22 2HG2 ILE 22 -1.598 3.911 -0.735 163 3HG2 ILE 22 3HG2 ILE 22 0.009 4.278 -1.385 164 1HD1 ILE 22 1HD1 ILE 22 0.810 5.910 1.413 165 2HD1 ILE 22 2HD1 ILE 22 1.288 7.603 1.255 166 3HD1 ILE 22 3HD1 ILE 22 -0.394 7.203 1.638 167 H GLU 23 H GLU 23 -3.998 6.323 -1.096 168 HA GLU 23 HA GLU 23 -4.668 3.671 -1.801 169 1HB GLU 23 2HB GLU 23 -6.430 3.913 -0.444 170 2HB GLU 23 3HB GLU 23 -5.512 5.329 0.048 171 1HG GLU 23 2HG GLU 23 -6.959 6.702 -1.508 172 2HG GLU 23 3HG GLU 23 -7.965 5.250 -1.707 173 H SER 24 H SER 24 -5.677 6.743 -3.323 174 HA SER 24 HA SER 24 -7.319 5.593 -5.329 175 1HB SER 24 2HB SER 24 -7.321 7.983 -4.703 176 2HB SER 24 3HB SER 24 -5.711 8.175 -5.428 177 HG SER 24 HG SER 24 -8.048 7.301 -6.801 178 H SER 25 H SER 25 -3.783 6.189 -5.186 179 HA SER 25 HA SER 25 -3.294 5.719 -7.994 180 1HB SER 25 2HB SER 25 -1.707 6.960 -6.571 181 2HB SER 25 3HB SER 25 -1.413 5.500 -5.597 182 HG SER 25 HG SER 25 0.166 5.769 -7.228 183 H LEU 26 H LEU 26 -2.996 3.762 -4.998 184 HA LEU 26 HA LEU 26 -2.340 1.310 -6.092 185 1HB LEU 26 2HB LEU 26 -4.024 2.184 -3.752 186 2HB LEU 26 3HB LEU 26 -3.904 0.487 -4.128 187 HG LEU 26 HG LEU 26 -1.461 2.247 -3.691 188 1HD1 LEU 26 1HD1 LEU 26 -2.912 2.273 -1.692 189 2HD1 LEU 26 2HD1 LEU 26 -3.007 0.509 -1.726 190 3HD1 LEU 26 3HD1 LEU 26 -1.464 1.315 -1.382 191 1HD2 LEU 26 1HD2 LEU 26 -1.863 -0.782 -3.616 192 2HD2 LEU 26 2HD2 LEU 26 -0.965 0.112 -4.860 193 3HD2 LEU 26 3HD2 LEU 26 -0.365 0.075 -3.204 194 H THR 27 H THR 27 -5.751 2.565 -5.638 195 HA THR 27 HA THR 27 -6.903 0.278 -6.830 196 HB THR 27 HB THR 27 -8.901 1.759 -7.232 197 HG1 THR 27 1HG THR 27 -7.172 3.713 -7.049 198 1HG2 THR 27 1HG2 THR 27 -7.635 1.772 -4.475 199 2HG2 THR 27 2HG2 THR 27 -9.346 2.064 -4.831 200 3HG2 THR 27 3HG2 THR 27 -8.631 0.476 -5.168 201 H LYS 28 H LYS 28 -4.963 2.570 -8.548 202 HA LYS 28 HA LYS 28 -6.284 2.285 -11.074 203 1HB LYS 28 2HB LYS 28 -4.508 3.313 -12.017 204 2HB LYS 28 3HB LYS 28 -4.525 4.002 -10.404 205 1HG LYS 28 2HG LYS 28 -2.296 3.590 -10.442 206 2HG LYS 28 3HG LYS 28 -2.724 1.935 -10.068 207 1HD LYS 28 2HD LYS 28 -1.227 1.799 -11.874 208 2HD LYS 28 3HD LYS 28 -2.814 1.509 -12.609 209 1HE LYS 28 2HE LYS 28 -2.860 3.934 -13.339 210 2HE LYS 28 3HE LYS 28 -1.286 4.174 -12.571 211 1HZ LYS 28 1HZ LYS 28 -1.834 2.359 -14.825 212 2HZ LYS 28 2HZ LYS 28 -1.104 3.827 -14.921 213 3HZ LYS 28 3HZ LYS 28 -0.360 2.598 -14.125 214 H HIS 29 H HIS 29 -4.165 0.134 -9.204 215 HA HIS 29 HA HIS 29 -3.673 -1.561 -11.602 216 1HB HIS 29 2HB HIS 29 -2.822 -2.501 -8.914 217 2HB HIS 29 3HB HIS 29 -2.055 -2.650 -10.476 218 HD1 HIS 29 1HD HIS 29 -0.357 -0.548 -11.084 219 HD2 HIS 29 2HD HIS 29 -2.113 -0.698 -7.283 220 HE1 HIS 29 1HE HIS 29 0.956 1.072 -9.585 221 H ARG 30 H ARG 30 -5.518 -2.770 -12.118 222 HA ARG 30 HA ARG 30 -7.425 -3.657 -10.179 223 1HB ARG 30 2HB ARG 30 -6.683 -4.871 -12.883 224 2HB ARG 30 3HB ARG 30 -8.112 -5.294 -11.922 225 1HG ARG 30 2HG ARG 30 -8.896 -2.940 -12.030 226 2HG ARG 30 3HG ARG 30 -7.508 -2.519 -13.053 227 1HD ARG 30 2HD ARG 30 -8.247 -4.163 -14.746 228 2HD ARG 30 3HD ARG 30 -9.643 -4.586 -13.719 229 HE ARG 30 HE ARG 30 -9.665 -1.786 -14.123 230 1HH1 ARG 30 2HH2 ARG 30 -10.108 -4.743 -15.978 231 2HH1 ARG 30 1HH2 ARG 30 -11.185 -4.058 -17.154 232 1HH2 ARG 30 2HH1 ARG 30 -11.103 -0.815 -15.662 233 2HH2 ARG 30 1HH1 ARG 30 -11.763 -1.754 -16.961 234 H GLY 31 H GLY 31 -4.208 -4.770 -10.762 235 1HA GLY 31 2HA GLY 31 -4.335 -7.395 -9.711 236 2HA GLY 31 1HA GLY 31 -2.951 -6.285 -9.609 237 H ILE 32 H ILE 32 -4.599 -4.190 -8.024 238 HA ILE 32 HA ILE 32 -4.391 -5.627 -5.456 239 HB ILE 32 HB ILE 32 -4.277 -3.709 -4.335 240 1HG1 ILE 32 2HG1 ILE 32 -4.178 -1.425 -5.439 241 2HG1 ILE 32 3HG1 ILE 32 -5.163 -2.106 -6.731 242 1HG2 ILE 32 1HG2 ILE 32 -2.565 -3.264 -6.764 243 2HG2 ILE 32 2HG2 ILE 32 -2.271 -2.669 -5.123 244 3HG2 ILE 32 3HG2 ILE 32 -2.248 -4.407 -5.436 245 1HD1 ILE 32 1HD1 ILE 32 -6.404 -0.905 -4.880 246 2HD1 ILE 32 2HD1 ILE 32 -6.962 -2.556 -5.155 247 3HD1 ILE 32 3HD1 ILE 32 -5.901 -2.194 -3.775 248 H LEU 33 H LEU 33 -6.170 -6.249 -4.438 249 HA LEU 33 HA LEU 33 -8.736 -6.132 -5.894 250 1HB LEU 33 2HB LEU 33 -7.886 -7.636 -3.388 251 2HB LEU 33 3HB LEU 33 -9.396 -7.868 -4.275 252 HG LEU 33 HG LEU 33 -6.613 -8.392 -5.432 253 1HD1 LEU 33 1HD1 LEU 33 -7.136 -10.764 -5.146 254 2HD1 LEU 33 2HD1 LEU 33 -7.121 -9.930 -3.584 255 3HD1 LEU 33 3HD1 LEU 33 -8.669 -10.351 -4.351 256 1HD2 LEU 33 1HD2 LEU 33 -9.391 -9.045 -6.495 257 2HD2 LEU 33 2HD2 LEU 33 -8.222 -7.906 -7.207 258 3HD2 LEU 33 3HD2 LEU 33 -7.861 -9.634 -7.180 259 H TYR 34 H TYR 34 -7.191 -5.009 -2.878 260 HA TYR 34 HA TYR 34 -9.290 -3.006 -2.559 261 1HB TYR 34 2HB TYR 34 -10.220 -5.001 -1.316 262 2HB TYR 34 3HB TYR 34 -8.709 -5.066 -0.394 263 HD1 TYR 34 HD1 TYR 34 -8.771 -4.241 1.755 264 HD2 TYR 34 HD2 TYR 34 -11.299 -2.457 -1.250 265 HE1 TYR 34 HE1 TYR 34 -9.740 -2.727 3.461 266 HE2 TYR 34 HE2 TYR 34 -12.145 -0.842 0.424 267 HH TYR 34 HH TYR 34 -12.003 -0.107 2.606 268 H CYS 35 H CYS 35 -8.487 -1.237 -1.333 269 HA CYS 35 HA CYS 35 -5.839 -1.567 -0.030 270 1HB CYS 35 2HB CYS 35 -5.163 0.616 -0.725 271 2HB CYS 35 3HB CYS 35 -5.611 -0.289 -2.187 272 HG CYS 35 HG CYS 35 -6.404 2.146 -2.504 273 H SER 36 H SER 36 -5.688 -0.595 1.950 274 HA SER 36 HA SER 36 -7.625 1.446 2.787 275 1HB SER 36 2HB SER 36 -8.815 -0.498 3.524 276 2HB SER 36 3HB SER 36 -7.359 -1.202 4.252 277 HG SER 36 HG SER 36 -8.862 1.071 5.052 278 H VAL 37 H VAL 37 -6.090 2.941 3.048 279 HA VAL 37 HA VAL 37 -3.558 2.386 4.460 280 HB VAL 37 HB VAL 37 -3.060 4.749 3.793 281 1HG1 VAL 37 1HG1 VAL 37 -3.771 2.843 1.519 282 2HG1 VAL 37 2HG1 VAL 37 -2.696 4.249 1.418 283 3HG1 VAL 37 3HG1 VAL 37 -2.250 2.871 2.438 284 1HG2 VAL 37 1HG2 VAL 37 -4.446 5.866 2.161 285 2HG2 VAL 37 2HG2 VAL 37 -5.567 4.504 2.070 286 3HG2 VAL 37 3HG2 VAL 37 -5.489 5.467 3.545 287 H ALA 38 H ALA 38 -2.908 3.775 6.251 288 HA ALA 38 HA ALA 38 -4.661 5.937 6.965 289 1HB ALA 38 1HB ALA 38 -4.845 5.433 9.372 290 2HB ALA 38 2HB ALA 38 -5.750 4.238 8.417 291 3HB ALA 38 3HB ALA 38 -4.151 3.833 9.111 292 H LEU 39 H LEU 39 -3.403 7.576 7.756 293 HA LEU 39 HA LEU 39 -0.613 7.066 8.596 294 1HB LEU 39 2HB LEU 39 -0.331 9.411 8.821 295 2HB LEU 39 3HB LEU 39 -1.035 9.029 7.258 296 HG LEU 39 HG LEU 39 -3.320 9.714 8.305 297 1HD1 LEU 39 1HD1 LEU 39 -2.641 9.944 10.717 298 2HD1 LEU 39 2HD1 LEU 39 -1.378 11.087 10.242 299 3HD1 LEU 39 3HD1 LEU 39 -3.088 11.503 10.045 300 1HD2 LEU 39 1HD2 LEU 39 -2.900 12.044 7.700 301 2HD2 LEU 39 2HD2 LEU 39 -1.152 11.823 7.913 302 3HD2 LEU 39 3HD2 LEU 39 -1.994 11.001 6.594 303 H ALA 40 H ALA 40 -3.838 7.584 9.838 304 HA ALA 40 HA ALA 40 -3.251 8.101 12.555 305 1HB ALA 40 1HB ALA 40 -5.562 7.358 12.939 306 2HB ALA 40 2HB ALA 40 -5.480 8.377 11.487 307 3HB ALA 40 3HB ALA 40 -5.604 6.606 11.332 308 H THR 41 H THR 41 -2.799 5.204 10.718 309 HA THR 41 HA THR 41 -1.811 3.906 13.166 310 HB THR 41 HB THR 41 -3.645 2.495 11.169 311 HG1 THR 41 1HG THR 41 -4.181 4.020 13.365 312 1HG2 THR 41 1HG2 THR 41 -2.518 1.591 13.843 313 2HG2 THR 41 2HG2 THR 41 -3.874 0.799 13.008 314 3HG2 THR 41 3HG2 THR 41 -2.281 0.821 12.253 315 H ASN 42 H ASN 42 -0.704 5.328 10.828 316 HA ASN 42 HA ASN 42 0.593 4.974 8.946 317 1HB ASN 42 2HB ASN 42 2.006 4.021 11.469 318 2HB ASN 42 3HB ASN 42 2.896 4.086 9.938 319 1HD2 ASN 42 1HD2 ASN 42 2.508 6.037 8.576 320 2HD2 ASN 42 2HD2 ASN 42 2.229 7.583 9.397 321 H LYS 43 H LYS 43 -1.204 3.159 8.413 322 HA LYS 43 HA LYS 43 0.328 0.656 7.822 323 1HB LYS 43 2HB LYS 43 -1.584 -0.699 8.315 324 2HB LYS 43 3HB LYS 43 -1.067 0.212 9.714 325 1HG LYS 43 2HG LYS 43 -3.354 0.378 9.854 326 2HG LYS 43 3HG LYS 43 -2.937 1.917 9.078 327 1HD LYS 43 2HD LYS 43 -3.629 1.036 6.895 328 2HD LYS 43 3HD LYS 43 -3.800 -0.594 7.582 329 1HE LYS 43 2HE LYS 43 -5.669 0.440 9.051 330 2HE LYS 43 3HE LYS 43 -5.493 1.891 8.050 331 1HZ LYS 43 1HZ LYS 43 -5.808 0.317 6.112 332 2HZ LYS 43 2HZ LYS 43 -6.355 -0.785 7.185 333 3HZ LYS 43 3HZ LYS 43 -7.158 0.623 6.943 334 H ALA 44 H ALA 44 -0.340 -0.514 6.052 335 HA ALA 44 HA ALA 44 -2.529 0.527 4.404 336 1HB ALA 44 1HB ALA 44 -1.392 0.480 2.355 337 2HB ALA 44 2HB ALA 44 -0.424 1.520 3.408 338 3HB ALA 44 3HB ALA 44 0.101 -0.150 3.066 339 H HIS 45 H HIS 45 -3.846 -1.060 4.345 340 HA HIS 45 HA HIS 45 -2.908 -3.916 4.146 341 1HB HIS 45 2HB HIS 45 -4.383 -3.290 6.061 342 2HB HIS 45 3HB HIS 45 -5.619 -2.798 4.893 343 HD1 HIS 45 1HD HIS 45 -4.732 -5.735 6.872 344 HD2 HIS 45 2HD HIS 45 -5.970 -4.955 2.948 345 HE1 HIS 45 1HE HIS 45 -5.758 -7.907 6.005 346 H ILE 46 H ILE 46 -2.458 -4.229 2.115 347 HA ILE 46 HA ILE 46 -4.371 -3.389 -0.001 348 HB ILE 46 HB ILE 46 -1.381 -3.869 0.025 349 1HG1 ILE 46 2HG1 ILE 46 -1.363 -1.838 -1.352 350 2HG1 ILE 46 3HG1 ILE 46 -3.131 -1.747 -1.289 351 1HG2 ILE 46 1HG2 ILE 46 -3.285 -4.200 -2.310 352 2HG2 ILE 46 2HG2 ILE 46 -1.585 -3.757 -2.537 353 3HG2 ILE 46 3HG2 ILE 46 -1.981 -5.286 -1.759 354 1HD1 ILE 46 1HD1 ILE 46 -1.364 -1.690 1.194 355 2HD1 ILE 46 2HD1 ILE 46 -1.789 -0.234 0.275 356 3HD1 ILE 46 3HD1 ILE 46 -3.068 -1.170 1.047 357 H LYS 47 H LYS 47 -5.739 -5.053 -0.384 358 HA LYS 47 HA LYS 47 -4.808 -7.866 -0.074 359 1HB LYS 47 2HB LYS 47 -7.490 -6.742 -0.876 360 2HB LYS 47 3HB LYS 47 -7.066 -8.462 -0.763 361 1HG LYS 47 2HG LYS 47 -6.556 -8.127 1.656 362 2HG LYS 47 3HG LYS 47 -7.155 -6.461 1.521 363 1HD LYS 47 2HD LYS 47 -9.391 -7.218 0.941 364 2HD LYS 47 3HD LYS 47 -8.834 -8.870 0.678 365 1HE LYS 47 3HE LYS 47 -10.083 -8.665 2.788 366 2HE LYS 47 2HE LYS 47 -8.431 -9.252 3.022 367 1HZ LYS 47 1HZ LYS 47 -9.259 -6.454 3.436 368 2HZ LYS 47 2HZ LYS 47 -7.774 -7.109 3.765 369 3HZ LYS 47 3HZ LYS 47 -9.088 -7.575 4.627 370 H TYR 48 H TYR 48 -4.245 -9.009 -2.023 371 HA TYR 48 HA TYR 48 -4.636 -7.672 -4.608 372 1HB TYR 48 2HB TYR 48 -2.390 -7.160 -5.029 373 2HB TYR 48 3HB TYR 48 -2.736 -6.449 -3.470 374 HD1 TYR 48 HD1 TYR 48 -0.294 -8.065 -5.251 375 HD2 TYR 48 HD2 TYR 48 -2.218 -8.380 -1.412 376 HE1 TYR 48 HE1 TYR 48 1.670 -9.261 -4.353 377 HE2 TYR 48 HE2 TYR 48 -0.400 -9.845 -0.625 378 HH TYR 48 HH TYR 48 1.642 -10.799 -1.126 379 H ASP 49 H ASP 49 -3.868 -8.808 -6.412 380 HA ASP 49 HA ASP 49 -3.510 -11.707 -6.055 381 1HB ASP 49 2HB ASP 49 -5.061 -11.003 -7.765 382 2HB ASP 49 3HB ASP 49 -3.825 -9.981 -8.520 383 HA PRO 50 HA PRO 50 0.847 -10.567 -6.071 384 1HB PRO 50 2HB PRO 50 2.004 -12.994 -5.646 385 2HB PRO 50 3HB PRO 50 1.059 -12.136 -4.394 386 1HG PRO 50 2HG PRO 50 0.085 -14.314 -6.265 387 2HG PRO 50 3HG PRO 50 -0.111 -14.228 -4.486 388 1HD PRO 50 2HD PRO 50 -2.066 -13.420 -6.192 389 2HD PRO 50 3HD PRO 50 -1.753 -12.532 -4.667 390 H GLU 51 H GLU 51 -0.665 -12.439 -8.603 391 HA GLU 51 HA GLU 51 1.853 -12.765 -10.116 392 1HB GLU 51 2HB GLU 51 0.116 -14.574 -10.059 393 2HB GLU 51 3HB GLU 51 -1.031 -13.472 -10.836 394 1HG GLU 51 2HG GLU 51 0.465 -13.277 -12.784 395 2HG GLU 51 3HG GLU 51 1.666 -14.307 -11.982 396 H ILE 52 H ILE 52 -1.317 -11.093 -10.139 397 HA ILE 52 HA ILE 52 -0.727 -9.540 -12.500 398 HB ILE 52 HB ILE 52 -2.750 -8.973 -10.313 399 1HG1 ILE 52 2HG1 ILE 52 -3.027 -10.389 -12.998 400 2HG1 ILE 52 3HG1 ILE 52 -2.964 -11.208 -11.439 401 1HG2 ILE 52 1HG2 ILE 52 -3.898 -7.626 -12.098 402 2HG2 ILE 52 2HG2 ILE 52 -2.305 -6.973 -11.763 403 3HG2 ILE 52 3HG2 ILE 52 -2.556 -7.970 -13.203 404 1HD1 ILE 52 1HD1 ILE 52 -5.196 -9.392 -12.407 405 2HD1 ILE 52 2HD1 ILE 52 -5.253 -11.121 -12.046 406 3HD1 ILE 52 3HD1 ILE 52 -5.030 -9.960 -10.727 407 H ILE 53 H ILE 53 -0.132 -8.906 -8.993 408 HA ILE 53 HA ILE 53 1.720 -6.845 -9.897 409 HB ILE 53 HB ILE 53 -0.512 -5.681 -9.470 410 1HG1 ILE 53 2HG1 ILE 53 1.727 -4.907 -7.595 411 2HG1 ILE 53 3HG1 ILE 53 1.808 -4.708 -9.363 412 1HG2 ILE 53 1HG2 ILE 53 -1.365 -5.368 -7.311 413 2HG2 ILE 53 2HG2 ILE 53 -1.165 -7.112 -7.476 414 3HG2 ILE 53 3HG2 ILE 53 0.015 -6.161 -6.536 415 1HD1 ILE 53 1HD1 ILE 53 1.153 -2.603 -8.335 416 2HD1 ILE 53 2HD1 ILE 53 -0.159 -3.274 -9.326 417 3HD1 ILE 53 3HD1 ILE 53 -0.237 -3.375 -7.548 418 H GLY 54 H GLY 54 3.633 -7.114 -8.857 419 1HA GLY 54 2HA GLY 54 3.819 -9.205 -6.880 420 2HA GLY 54 1HA GLY 54 5.116 -8.134 -7.443 421 HA PRO 55 HA PRO 55 3.378 -6.732 -3.167 422 1HB PRO 55 2HB PRO 55 5.357 -7.748 -1.520 423 2HB PRO 55 3HB PRO 55 3.822 -8.590 -1.873 424 1HG PRO 55 2HG PRO 55 6.508 -9.032 -3.186 425 2HG PRO 55 3HG PRO 55 5.359 -10.256 -2.579 426 1HD PRO 55 2HD PRO 55 5.476 -9.583 -5.213 427 2HD PRO 55 3HD PRO 55 3.915 -9.954 -4.431 428 H ARG 56 H ARG 56 6.669 -7.248 -4.478 429 HA ARG 56 HA ARG 56 7.743 -4.843 -3.431 430 1HB ARG 56 2HB ARG 56 9.193 -6.624 -4.127 431 2HB ARG 56 3HB ARG 56 8.684 -6.446 -5.827 432 1HG ARG 56 2HG ARG 56 9.605 -4.279 -5.994 433 2HG ARG 56 3HG ARG 56 9.738 -4.079 -4.239 434 1HD ARG 56 2HD ARG 56 11.592 -5.642 -4.141 435 2HD ARG 56 3HD ARG 56 11.465 -5.936 -5.903 436 HE ARG 56 HE ARG 56 11.541 -3.172 -5.627 437 1HH1 ARG 56 2HH2 ARG 56 13.847 -5.685 -4.748 438 2HH1 ARG 56 1HH2 ARG 56 15.241 -4.681 -5.028 439 1HH2 ARG 56 2HH1 ARG 56 13.172 -1.935 -6.087 440 2HH2 ARG 56 1HH1 ARG 56 14.847 -2.376 -5.791 441 H ASP 57 H ASP 57 5.650 -5.402 -6.264 442 HA ASP 57 HA ASP 57 6.352 -2.906 -7.577 443 1HB ASP 57 2HB ASP 57 3.874 -4.632 -7.859 444 2HB ASP 57 3HB ASP 57 4.358 -3.319 -8.934 445 H ILE 58 H ILE 58 3.742 -4.060 -5.422 446 HA ILE 58 HA ILE 58 2.356 -1.592 -5.064 447 HB ILE 58 HB ILE 58 2.831 -3.983 -3.263 448 1HG1 ILE 58 2HG1 ILE 58 0.174 -3.013 -4.307 449 2HG1 ILE 58 3HG1 ILE 58 1.269 -3.842 -5.424 450 1HG2 ILE 58 1HG2 ILE 58 1.189 -1.506 -2.626 451 2HG2 ILE 58 2HG2 ILE 58 1.019 -3.051 -1.777 452 3HG2 ILE 58 3HG2 ILE 58 2.538 -2.167 -1.680 453 1HD1 ILE 58 1HD1 ILE 58 0.453 -5.026 -2.750 454 2HD1 ILE 58 2HD1 ILE 58 -0.320 -5.393 -4.305 455 3HD1 ILE 58 3HD1 ILE 58 1.391 -5.793 -4.050 456 H ILE 59 H ILE 59 5.089 -2.963 -3.124 457 HA ILE 59 HA ILE 59 5.493 -0.725 -1.489 458 HB ILE 59 HB ILE 59 7.306 -2.896 -2.527 459 1HG1 ILE 59 2HG1 ILE 59 6.348 -2.354 0.309 460 2HG1 ILE 59 3HG1 ILE 59 5.318 -3.210 -0.843 461 1HG2 ILE 59 1HG2 ILE 59 8.934 -2.185 -0.731 462 2HG2 ILE 59 2HG2 ILE 59 8.834 -1.110 -2.121 463 3HG2 ILE 59 3HG2 ILE 59 8.017 -0.670 -0.604 464 1HD1 ILE 59 1HD1 ILE 59 8.084 -4.133 0.009 465 2HD1 ILE 59 2HD1 ILE 59 6.523 -4.813 0.504 466 3HD1 ILE 59 3HD1 ILE 59 7.032 -4.917 -1.192 467 H HIS 60 H HIS 60 7.151 -1.388 -4.642 468 HA HIS 60 HA HIS 60 8.556 1.020 -4.872 469 1HB HIS 60 2HB HIS 60 7.138 -0.611 -7.026 470 2HB HIS 60 3HB HIS 60 8.191 0.754 -7.362 471 HD1 HIS 60 1HD HIS 60 8.738 -2.209 -8.391 472 HD2 HIS 60 2HD HIS 60 10.597 -0.081 -5.269 473 HE1 HIS 60 1HE HIS 60 11.156 -3.012 -8.295 474 H THR 61 H THR 61 5.076 0.389 -5.589 475 HA THR 61 HA THR 61 4.681 2.950 -6.850 476 HB THR 61 HB THR 61 2.605 1.210 -5.449 477 HG1 THR 61 1HG THR 61 3.762 0.117 -7.104 478 1HG2 THR 61 1HG2 THR 61 2.351 3.333 -7.625 479 2HG2 THR 61 2HG2 THR 61 1.039 2.332 -6.977 480 3HG2 THR 61 3HG2 THR 61 1.822 3.523 -5.938 481 H ILE 62 H ILE 62 4.161 1.774 -3.516 482 HA ILE 62 HA ILE 62 3.266 4.222 -2.355 483 HB ILE 62 HB ILE 62 4.472 1.646 -1.394 484 1HG1 ILE 62 2HG1 ILE 62 2.498 1.648 0.058 485 2HG1 ILE 62 3HG1 ILE 62 2.084 3.290 -0.453 486 1HG2 ILE 62 1HG2 ILE 62 4.541 2.395 0.927 487 2HG2 ILE 62 2HG2 ILE 62 5.784 3.202 -0.007 488 3HG2 ILE 62 3HG2 ILE 62 4.296 4.082 0.425 489 1HD1 ILE 62 1HD1 ILE 62 1.639 2.454 -2.751 490 2HD1 ILE 62 2HD1 ILE 62 2.139 0.821 -2.234 491 3HD1 ILE 62 3HD1 ILE 62 0.707 1.575 -1.533 492 H GLU 63 H GLU 63 6.593 2.878 -2.562 493 HA GLU 63 HA GLU 63 7.885 5.014 -1.303 494 1HB GLU 63 2HB GLU 63 8.825 3.049 -3.422 495 2HB GLU 63 3HB GLU 63 9.920 4.130 -2.547 496 1HG GLU 63 2HG GLU 63 9.385 3.144 -0.425 497 2HG GLU 63 3HG GLU 63 8.072 2.176 -1.099 498 H SER 64 H SER 64 7.306 4.443 -4.745 499 HA SER 64 HA SER 64 8.811 6.499 -5.845 500 1HB SER 64 2HB SER 64 7.922 4.626 -7.127 501 2HB SER 64 3HB SER 64 6.259 5.199 -6.890 502 HG SER 64 HG SER 64 8.225 6.829 -8.110 503 H LEU 65 H LEU 65 5.531 6.694 -4.480 504 HA LEU 65 HA LEU 65 4.905 9.267 -5.599 505 1HB LEU 65 2HB LEU 65 3.921 7.740 -3.186 506 2HB LEU 65 3HB LEU 65 3.255 9.324 -3.641 507 HG LEU 65 HG LEU 65 3.296 6.954 -5.548 508 1HD1 LEU 65 1HD1 LEU 65 2.036 6.335 -3.516 509 2HD1 LEU 65 2HD1 LEU 65 1.054 7.810 -3.671 510 3HD1 LEU 65 3HD1 LEU 65 0.962 6.539 -4.909 511 1HD2 LEU 65 1HD2 LEU 65 1.447 8.191 -6.645 512 2HD2 LEU 65 2HD2 LEU 65 1.677 9.527 -5.498 513 3HD2 LEU 65 3HD2 LEU 65 2.953 9.112 -6.661 514 H GLY 66 H GLY 66 5.385 8.865 -2.031 515 1HA GLY 66 2HA GLY 66 7.728 10.574 -2.091 516 2HA GLY 66 1HA GLY 66 6.293 11.430 -1.495 517 H PHE 67 H PHE 67 7.150 7.945 -0.978 518 HA PHE 67 HA PHE 67 6.936 8.479 1.969 519 1HB PHE 67 2HB PHE 67 5.374 6.392 0.424 520 2HB PHE 67 3HB PHE 67 5.186 6.823 2.124 521 HD1 PHE 67 1HD PHE 67 5.030 9.688 2.202 522 HD2 PHE 67 2HD PHE 67 3.477 7.083 -0.861 523 HE1 PHE 67 1HE PHE 67 3.671 11.539 1.321 524 HE2 PHE 67 2HE PHE 67 2.029 8.915 -1.662 525 HZ PHE 67 HZ PHE 67 2.190 11.176 -0.632 526 H GLU 68 H GLU 68 7.222 6.245 3.186 527 HA GLU 68 HA GLU 68 9.173 4.521 1.766 528 1HB GLU 68 2HB GLU 68 10.248 6.206 3.425 529 2HB GLU 68 3HB GLU 68 9.409 5.299 4.697 530 1HG GLU 68 2HG GLU 68 10.505 3.206 3.712 531 2HG GLU 68 3HG GLU 68 11.469 4.289 2.691 532 H ALA 69 H ALA 69 8.741 2.354 2.115 533 HA ALA 69 HA ALA 69 6.300 1.676 3.699 534 1HB ALA 69 1HB ALA 69 6.307 -0.385 2.374 535 2HB ALA 69 2HB ALA 69 6.382 1.008 1.275 536 3HB ALA 69 3HB ALA 69 7.850 0.072 1.620 537 H SER 70 H SER 70 6.400 -0.139 5.162 538 HA SER 70 HA SER 70 8.977 -1.518 5.514 539 1HB SER 70 2HB SER 70 7.645 -0.094 7.860 540 2HB SER 70 3HB SER 70 9.091 -1.115 7.914 541 HG SER 70 HG SER 70 9.629 0.630 6.083 542 H LEU 71 H LEU 71 8.279 -3.610 5.275 543 HA LEU 71 HA LEU 71 5.605 -4.436 5.852 544 1HB LEU 71 2HB LEU 71 7.552 -5.270 4.178 545 2HB LEU 71 3HB LEU 71 7.846 -6.430 5.466 546 HG LEU 71 HG LEU 71 5.272 -5.851 3.972 547 1HD1 LEU 71 1HD1 LEU 71 6.953 -7.083 2.664 548 2HD1 LEU 71 2HD1 LEU 71 7.070 -8.310 3.944 549 3HD1 LEU 71 3HD1 LEU 71 5.561 -8.117 3.026 550 1HD2 LEU 71 1HD2 LEU 71 5.768 -7.942 6.147 551 2HD2 LEU 71 2HD2 LEU 71 4.656 -6.558 6.260 552 3HD2 LEU 71 3HD2 LEU 71 4.315 -7.868 5.127 553 H VAL 72 H VAL 72 5.822 -3.454 8.093 554 HA VAL 72 HA VAL 72 6.945 -4.896 10.280 555 HB VAL 72 HB VAL 72 4.539 -3.082 9.871 556 1HG1 VAL 72 1HG1 VAL 72 4.265 -3.001 12.341 557 2HG1 VAL 72 2HG1 VAL 72 3.762 -4.532 11.627 558 3HG1 VAL 72 3HG1 VAL 72 5.324 -4.424 12.483 559 1HG2 VAL 72 1HG2 VAL 72 5.914 -1.562 11.273 560 2HG2 VAL 72 2HG2 VAL 72 7.146 -2.821 11.447 561 3HG2 VAL 72 3HG2 VAL 72 6.826 -2.103 9.854 562 H LYS 73 H LYS 73 6.519 -6.941 10.957 563 HA LYS 73 HA LYS 73 3.919 -8.102 11.001 564 1HB LYS 73 2HB LYS 73 4.785 -8.342 8.500 565 2HB LYS 73 3HB LYS 73 5.990 -9.416 9.183 566 1HG LYS 73 2HG LYS 73 4.205 -10.740 8.305 567 2HG LYS 73 3HG LYS 73 4.158 -10.873 10.050 568 1HD LYS 73 2HD LYS 73 1.944 -10.729 9.133 569 2HD LYS 73 3HD LYS 73 2.201 -9.335 10.149 570 1HE LYS 73 2HE LYS 73 2.745 -9.120 7.155 571 2HE LYS 73 3HE LYS 73 1.069 -9.177 7.716 572 1HZ LYS 73 1HZ LYS 73 2.966 -7.147 8.710 573 2HZ LYS 73 2HZ LYS 73 1.938 -6.918 7.467 574 3HZ LYS 73 3HZ LYS 73 1.345 -7.211 8.945 575 H ILE 74 H ILE 74 4.110 -10.053 12.406 576 HA ILE 74 HA ILE 74 6.815 -10.501 13.604 577 HB ILE 74 HB ILE 74 4.219 -9.918 15.109 578 1HG1 ILE 74 2HG1 ILE 74 6.862 -8.391 15.082 579 2HG1 ILE 74 3HG1 ILE 74 5.383 -7.885 14.253 580 1HG2 ILE 74 1HG2 ILE 74 6.974 -10.694 16.159 581 2HG2 ILE 74 2HG2 ILE 74 5.542 -10.321 17.147 582 3HG2 ILE 74 3HG2 ILE 74 5.550 -11.755 16.133 583 1HD1 ILE 74 1HD1 ILE 74 4.177 -7.839 16.427 584 2HD1 ILE 74 2HD1 ILE 74 5.735 -8.103 17.253 585 3HD1 ILE 74 3HD1 ILE 74 5.488 -6.653 16.270 586 H GLU 75 H GLU 75 3.439 -11.380 13.863 587 HA GLU 75 HA GLU 75 3.904 -13.765 12.274 588 1HB GLU 75 2HB GLU 75 1.550 -13.231 14.158 589 2HB GLU 75 3HB GLU 75 1.662 -14.533 12.964 590 1HG GLU 75 2HG GLU 75 3.639 -15.459 14.175 591 2HG GLU 75 3HG GLU 75 3.489 -14.181 15.392 Start of MODEL 28 1 1H MET 1 H1 MET 1 -7.029 -16.749 -3.773 2 2H MET 1 H2 MET 1 -7.194 -17.537 -2.323 3 3H MET 1 H3 MET 1 -5.963 -16.429 -2.611 4 HA MET 1 HA MET 1 -5.261 -18.796 -2.673 5 1HB MET 1 2HB MET 1 -7.181 -19.678 -3.913 6 2HB MET 1 3HB MET 1 -6.798 -18.651 -5.308 7 1HG MET 1 2HG MET 1 -4.690 -19.824 -5.659 8 2HG MET 1 3HG MET 1 -4.897 -20.733 -4.153 9 1HE MET 1 1HE MET 1 -4.285 -22.933 -5.428 10 2HE MET 1 2HE MET 1 -5.112 -23.476 -6.906 11 3HE MET 1 3HE MET 1 -4.106 -22.010 -6.941 12 H GLY 2 H GLY 2 -5.715 -16.430 -5.329 13 1HA GLY 2 2HA GLY 2 -2.940 -15.508 -4.743 14 2HA GLY 2 1HA GLY 2 -4.016 -14.901 -6.016 15 H ASP 3 H ASP 3 -5.067 -13.063 -5.327 16 HA ASP 3 HA ASP 3 -6.625 -11.826 -4.201 17 1HB ASP 3 2HB ASP 3 -7.481 -14.354 -2.760 18 2HB ASP 3 3HB ASP 3 -8.476 -13.046 -3.381 19 H GLY 4 H GLY 4 -4.073 -11.856 -2.807 20 1HA GLY 4 2HA GLY 4 -4.360 -12.914 -0.138 21 2HA GLY 4 1HA GLY 4 -2.949 -12.133 -0.862 22 H VAL 5 H VAL 5 -2.814 -11.347 1.405 23 HA VAL 5 HA VAL 5 -4.073 -8.689 1.707 24 HB VAL 5 HB VAL 5 -4.123 -9.066 4.152 25 1HG1 VAL 5 1HG1 VAL 5 -6.210 -10.344 4.216 26 2HG1 VAL 5 2HG1 VAL 5 -6.177 -9.262 2.819 27 3HG1 VAL 5 3HG1 VAL 5 -5.891 -11.004 2.599 28 1HG2 VAL 5 1HG2 VAL 5 -3.682 -12.018 3.504 29 2HG2 VAL 5 2HG2 VAL 5 -2.590 -10.967 4.434 30 3HG2 VAL 5 3HG2 VAL 5 -4.186 -11.360 5.069 31 H LEU 6 H LEU 6 -2.506 -7.162 1.994 32 HA LEU 6 HA LEU 6 0.050 -7.967 3.223 33 1HB LEU 6 2HB LEU 6 0.248 -7.980 0.748 34 2HB LEU 6 3HB LEU 6 -0.158 -6.265 0.703 35 HG LEU 6 HG LEU 6 2.238 -7.529 2.139 36 1HD1 LEU 6 1HD1 LEU 6 2.053 -6.067 -0.528 37 2HD1 LEU 6 2HD1 LEU 6 3.554 -6.580 0.268 38 3HD1 LEU 6 3HD1 LEU 6 2.391 -7.796 -0.296 39 1HD2 LEU 6 1HD2 LEU 6 3.138 -5.171 2.105 40 2HD2 LEU 6 2HD2 LEU 6 1.537 -4.617 1.576 41 3HD2 LEU 6 3HD2 LEU 6 1.760 -5.378 3.176 42 H GLU 7 H GLU 7 -0.239 -6.808 5.153 43 HA GLU 7 HA GLU 7 -1.104 -3.963 4.864 44 1HB GLU 7 2HB GLU 7 -2.745 -5.409 6.043 45 2HB GLU 7 3HB GLU 7 -1.558 -5.629 7.341 46 1HG GLU 7 2HG GLU 7 -1.516 -3.253 7.774 47 2HG GLU 7 3HG GLU 7 -2.386 -2.863 6.325 48 H LEU 8 H LEU 8 0.369 -2.535 5.129 49 HA LEU 8 HA LEU 8 2.738 -3.111 6.822 50 1HB LEU 8 2HB LEU 8 4.259 -2.596 5.094 51 2HB LEU 8 3HB LEU 8 3.168 -3.834 4.512 52 HG LEU 8 HG LEU 8 3.590 -2.486 2.702 53 1HD1 LEU 8 1HD1 LEU 8 1.027 -1.216 3.696 54 2HD1 LEU 8 2HD1 LEU 8 1.553 -1.415 2.021 55 3HD1 LEU 8 3HD1 LEU 8 1.115 -2.839 2.981 56 1HD2 LEU 8 1HD2 LEU 8 3.046 0.064 4.236 57 2HD2 LEU 8 2HD2 LEU 8 4.656 -0.623 3.982 58 3HD2 LEU 8 3HD2 LEU 8 3.675 -0.107 2.595 59 H VAL 9 H VAL 9 4.124 -1.140 7.212 60 HA VAL 9 HA VAL 9 2.451 1.142 7.888 61 HB VAL 9 HB VAL 9 5.267 0.158 8.485 62 1HG1 VAL 9 1HG1 VAL 9 4.073 2.865 9.092 63 2HG1 VAL 9 2HG1 VAL 9 5.506 2.178 9.910 64 3HG1 VAL 9 3HG1 VAL 9 5.544 2.458 8.167 65 1HG2 VAL 9 1HG2 VAL 9 3.295 -0.729 9.839 66 2HG2 VAL 9 2HG2 VAL 9 4.548 0.127 10.769 67 3HG2 VAL 9 3HG2 VAL 9 3.041 0.943 10.397 68 H VAL 10 H VAL 10 2.126 2.535 6.285 69 HA VAL 10 HA VAL 10 4.145 3.083 4.178 70 HB VAL 10 HB VAL 10 2.303 4.675 3.398 71 1HG1 VAL 10 1HG1 VAL 10 1.116 2.854 2.262 72 2HG1 VAL 10 2HG1 VAL 10 2.851 2.491 2.354 73 3HG1 VAL 10 3HG1 VAL 10 1.715 1.692 3.456 74 1HG2 VAL 10 1HG2 VAL 10 0.962 4.636 5.541 75 2HG2 VAL 10 2HG2 VAL 10 0.034 4.221 4.084 76 3HG2 VAL 10 3HG2 VAL 10 0.534 2.949 5.194 77 H ARG 11 H ARG 11 5.663 3.755 5.742 78 HA ARG 11 HA ARG 11 5.109 6.024 7.519 79 1HB ARG 11 2HB ARG 11 7.610 5.759 8.023 80 2HB ARG 11 3HB ARG 11 6.507 4.494 8.534 81 1HG ARG 11 2HG ARG 11 7.210 3.020 6.720 82 2HG ARG 11 3HG ARG 11 8.147 4.311 5.967 83 1HD ARG 11 2HD ARG 11 8.890 3.810 8.795 84 2HD ARG 11 3HD ARG 11 8.995 2.370 7.799 85 HE ARG 11 HE ARG 11 10.283 4.948 6.908 86 1HH1 ARG 11 2HH2 ARG 11 10.726 1.436 7.403 87 2HH1 ARG 11 1HH2 ARG 11 12.455 1.562 7.325 88 1HH2 ARG 11 2HH1 ARG 11 12.344 4.985 6.431 89 2HH2 ARG 11 1HH1 ARG 11 13.420 3.619 6.557 90 H GLY 12 H GLY 12 4.423 7.273 5.518 91 1HA GLY 12 2HA GLY 12 6.568 9.124 4.751 92 2HA GLY 12 1HA GLY 12 5.983 8.085 3.437 93 H MET 13 H MET 13 3.225 7.901 4.044 94 HA MET 13 HA MET 13 2.334 10.391 3.037 95 1HB MET 13 2HB MET 13 0.098 9.538 3.216 96 2HB MET 13 3HB MET 13 1.162 8.239 2.681 97 1HG MET 13 2HG MET 13 1.212 7.449 5.106 98 2HG MET 13 3HG MET 13 -0.007 8.693 5.445 99 1HE MET 13 1HE MET 13 -2.158 5.621 5.859 100 2HE MET 13 2HE MET 13 -0.540 6.029 6.472 101 3HE MET 13 3HE MET 13 -1.815 7.263 6.462 102 H THR 14 H THR 14 2.128 12.250 4.044 103 HA THR 14 HA THR 14 2.241 12.313 7.005 104 HB THR 14 HB THR 14 4.003 13.428 6.062 105 HG1 THR 14 1HG THR 14 3.666 15.520 6.790 106 1HG2 THR 14 1HG2 THR 14 2.096 14.911 4.218 107 2HG2 THR 14 2HG2 THR 14 3.802 15.327 4.463 108 3HG2 THR 14 3HG2 THR 14 3.390 13.762 3.770 109 H CYS 15 H CYS 15 0.118 13.646 4.389 110 HA CYS 15 HA CYS 15 -1.879 14.275 6.517 111 1HB CYS 15 2HB CYS 15 -2.308 16.400 5.587 112 2HB CYS 15 3HB CYS 15 -0.561 16.294 5.765 113 H ALA 16 H ALA 16 -4.021 14.802 5.449 114 HA ALA 16 HA ALA 16 -5.197 12.599 4.337 115 1HB ALA 16 1HB ALA 16 -5.985 15.504 3.896 116 2HB ALA 16 2HB ALA 16 -7.036 14.091 3.663 117 3HB ALA 16 3HB ALA 16 -6.431 14.485 5.284 118 H SER 17 H SER 17 -3.856 15.406 2.530 119 HA SER 17 HA SER 17 -4.514 14.692 -0.059 120 1HB SER 17 2HB SER 17 -1.869 15.954 0.729 121 2HB SER 17 3HB SER 17 -2.887 16.298 -0.680 122 HG SER 17 HG SER 17 -2.918 17.517 1.654 123 H CYS 18 H CYS 18 -1.801 13.527 1.981 124 HA CYS 18 HA CYS 18 -0.525 12.029 -0.188 125 1HB CYS 18 2HB CYS 18 -0.117 11.904 2.824 126 2HB CYS 18 3HB CYS 18 0.841 11.120 1.577 127 H VAL 19 H VAL 19 -2.449 11.368 2.743 128 HA VAL 19 HA VAL 19 -2.617 8.584 2.706 129 HB VAL 19 HB VAL 19 -4.739 10.637 3.430 130 1HG1 VAL 19 1HG1 VAL 19 -5.779 8.901 4.816 131 2HG1 VAL 19 2HG1 VAL 19 -5.855 8.461 3.110 132 3HG1 VAL 19 3HG1 VAL 19 -4.635 7.708 4.179 133 1HG2 VAL 19 1HG2 VAL 19 -4.004 10.272 5.700 134 2HG2 VAL 19 2HG2 VAL 19 -2.892 8.982 5.184 135 3HG2 VAL 19 3HG2 VAL 19 -2.554 10.666 4.756 136 H HIS 20 H HIS 20 -4.969 10.808 1.066 137 HA HIS 20 HA HIS 20 -6.190 8.526 -0.058 138 1HB HIS 20 2HB HIS 20 -7.806 9.705 -1.005 139 2HB HIS 20 3HB HIS 20 -7.390 10.595 0.452 140 HD1 HIS 20 1HD HIS 20 -9.038 12.118 -1.554 141 HD2 HIS 20 2HD HIS 20 -4.913 11.674 -1.979 142 HE1 HIS 20 1HE HIS 20 -8.287 13.928 -3.192 143 H LYS 21 H LYS 21 -3.273 10.025 -0.953 144 HA LYS 21 HA LYS 21 -3.493 9.853 -3.819 145 1HB LYS 21 2HB LYS 21 -1.894 11.265 -2.246 146 2HB LYS 21 3HB LYS 21 -0.842 9.857 -2.354 147 1HG LYS 21 2HG LYS 21 -0.891 10.087 -4.851 148 2HG LYS 21 3HG LYS 21 -1.975 11.486 -4.669 149 1HD LYS 21 2HD LYS 21 -0.220 12.572 -3.204 150 2HD LYS 21 3HD LYS 21 0.877 11.241 -3.616 151 1HE LYS 21 2HE LYS 21 0.606 11.872 -6.063 152 2HE LYS 21 3HE LYS 21 -0.415 13.225 -5.565 153 1HZ LYS 21 1HZ LYS 21 1.455 14.121 -4.353 154 2HZ LYS 21 2HZ LYS 21 2.414 12.867 -4.818 155 3HZ LYS 21 3HZ LYS 21 1.836 13.919 -5.940 156 H ILE 22 H ILE 22 -2.067 7.935 -1.190 157 HA ILE 22 HA ILE 22 -0.907 5.863 -2.743 158 HB ILE 22 HB ILE 22 -2.133 5.733 0.043 159 1HG1 ILE 22 2HG1 ILE 22 0.669 6.230 -1.002 160 2HG1 ILE 22 3HG1 ILE 22 -0.328 7.337 -0.045 161 1HG2 ILE 22 1HG2 ILE 22 -0.177 3.799 -1.276 162 2HG2 ILE 22 2HG2 ILE 22 -0.889 3.653 0.346 163 3HG2 ILE 22 3HG2 ILE 22 -1.898 3.463 -1.071 164 1HD1 ILE 22 1HD1 ILE 22 1.348 6.414 1.389 165 2HD1 ILE 22 2HD1 ILE 22 -0.193 5.645 1.836 166 3HD1 ILE 22 3HD1 ILE 22 1.017 4.769 0.865 167 H GLU 23 H GLU 23 -4.087 5.709 -1.042 168 HA GLU 23 HA GLU 23 -5.060 3.460 -2.350 169 1HB GLU 23 2HB GLU 23 -7.362 4.514 -1.831 170 2HB GLU 23 3HB GLU 23 -6.266 4.085 -0.498 171 1HG GLU 23 2HG GLU 23 -6.541 6.092 0.328 172 2HG GLU 23 3HG GLU 23 -5.719 6.755 -1.077 173 H SER 24 H SER 24 -6.218 6.762 -3.302 174 HA SER 24 HA SER 24 -7.426 6.045 -5.611 175 1HB SER 24 2HB SER 24 -5.808 8.570 -5.095 176 2HB SER 24 3HB SER 24 -6.893 8.356 -6.474 177 HG SER 24 HG SER 24 -7.784 7.974 -3.802 178 H SER 25 H SER 25 -3.847 6.398 -5.300 179 HA SER 25 HA SER 25 -3.465 6.216 -8.189 180 1HB SER 25 2HB SER 25 -1.848 7.354 -6.641 181 2HB SER 25 3HB SER 25 -1.427 5.774 -5.964 182 HG SER 25 HG SER 25 -1.055 6.772 -8.589 183 H LEU 26 H LEU 26 -2.826 4.054 -5.393 184 HA LEU 26 HA LEU 26 -1.991 1.821 -6.823 185 1HB LEU 26 2HB LEU 26 -3.030 2.312 -4.052 186 2HB LEU 26 3HB LEU 26 -3.147 0.693 -4.662 187 HG LEU 26 HG LEU 26 -0.722 0.726 -5.300 188 1HD1 LEU 26 1HD1 LEU 26 -0.678 3.284 -3.631 189 2HD1 LEU 26 2HD1 LEU 26 0.734 2.419 -4.251 190 3HD1 LEU 26 3HD1 LEU 26 -0.386 3.201 -5.379 191 1HD2 LEU 26 1HD2 LEU 26 0.042 0.287 -3.063 192 2HD2 LEU 26 2HD2 LEU 26 -1.312 1.207 -2.357 193 3HD2 LEU 26 3HD2 LEU 26 -1.616 -0.307 -3.237 194 H THR 27 H THR 27 -5.327 2.823 -6.079 195 HA THR 27 HA THR 27 -6.617 0.415 -6.721 196 HB THR 27 HB THR 27 -7.599 3.266 -7.057 197 HG1 THR 27 1HG THR 27 -6.988 2.821 -4.979 198 1HG2 THR 27 1HG2 THR 27 -9.850 2.246 -6.712 199 2HG2 THR 27 2HG2 THR 27 -9.132 1.739 -8.249 200 3HG2 THR 27 3HG2 THR 27 -9.129 0.629 -6.859 201 H LYS 28 H LYS 28 -4.976 2.563 -9.027 202 HA LYS 28 HA LYS 28 -6.407 1.529 -11.314 203 1HB LYS 28 2HB LYS 28 -4.790 2.530 -12.684 204 2HB LYS 28 3HB LYS 28 -5.051 3.602 -11.302 205 1HG LYS 28 2HG LYS 28 -2.978 2.507 -10.283 206 2HG LYS 28 3HG LYS 28 -2.662 1.769 -11.852 207 1HD LYS 28 2HD LYS 28 -2.233 3.887 -12.863 208 2HD LYS 28 3HD LYS 28 -3.137 4.755 -11.624 209 1HE LYS 28 2HE LYS 28 -0.774 5.205 -11.364 210 2HE LYS 28 3HE LYS 28 -1.437 4.405 -9.937 211 1HZ LYS 28 1HZ LYS 28 -0.350 2.399 -10.532 212 2HZ LYS 28 2HZ LYS 28 0.057 2.967 -12.032 213 3HZ LYS 28 3HZ LYS 28 0.736 3.593 -10.672 214 H HIS 29 H HIS 29 -4.067 0.013 -9.203 215 HA HIS 29 HA HIS 29 -3.082 -1.877 -11.252 216 1HB HIS 29 2HB HIS 29 -2.640 -1.754 -8.232 217 2HB HIS 29 3HB HIS 29 -1.876 -2.870 -9.359 218 HD1 HIS 29 1HD HIS 29 0.574 -2.100 -9.731 219 HD2 HIS 29 2HD HIS 29 -2.125 1.031 -9.036 220 HE1 HIS 29 1HE HIS 29 1.921 0.066 -9.780 221 H ARG 30 H ARG 30 -4.916 -3.181 -11.858 222 HA ARG 30 HA ARG 30 -6.863 -4.099 -9.994 223 1HB ARG 30 2HB ARG 30 -5.758 -5.510 -12.476 224 2HB ARG 30 3HB ARG 30 -7.188 -6.011 -11.550 225 1HG ARG 30 2HG ARG 30 -8.276 -3.827 -12.036 226 2HG ARG 30 3HG ARG 30 -6.879 -3.347 -13.006 227 1HD ARG 30 2HD ARG 30 -8.676 -4.142 -14.435 228 2HD ARG 30 3HD ARG 30 -7.294 -5.203 -14.592 229 HE ARG 30 HE ARG 30 -9.932 -5.717 -13.311 230 1HH1 ARG 30 2HH2 ARG 30 -6.724 -7.050 -13.972 231 2HH1 ARG 30 1HH2 ARG 30 -7.181 -8.700 -13.694 232 1HH2 ARG 30 2HH1 ARG 30 -10.555 -7.894 -12.905 233 2HH2 ARG 30 1HH1 ARG 30 -9.403 -9.178 -13.052 234 H GLY 31 H GLY 31 -3.536 -5.055 -10.302 235 1HA GLY 31 2HA GLY 31 -3.755 -7.539 -8.854 236 2HA GLY 31 1HA GLY 31 -2.289 -6.583 -9.141 237 H ILE 32 H ILE 32 -4.511 -4.421 -7.694 238 HA ILE 32 HA ILE 32 -4.287 -5.628 -5.030 239 HB ILE 32 HB ILE 32 -4.060 -3.596 -3.972 240 1HG1 ILE 32 2HG1 ILE 32 -3.380 -1.480 -5.362 241 2HG1 ILE 32 3HG1 ILE 32 -4.474 -2.160 -6.555 242 1HG2 ILE 32 1HG2 ILE 32 -1.993 -4.700 -4.823 243 2HG2 ILE 32 2HG2 ILE 32 -1.985 -3.571 -6.194 244 3HG2 ILE 32 3HG2 ILE 32 -1.785 -2.964 -4.543 245 1HD1 ILE 32 1HD1 ILE 32 -5.541 -0.546 -4.967 246 2HD1 ILE 32 2HD1 ILE 32 -6.304 -2.139 -4.907 247 3HD1 ILE 32 3HD1 ILE 32 -5.171 -1.642 -3.632 248 H LEU 33 H LEU 33 -6.229 -6.050 -4.234 249 HA LEU 33 HA LEU 33 -8.570 -5.319 -5.849 250 1HB LEU 33 2HB LEU 33 -8.403 -6.897 -3.264 251 2HB LEU 33 3HB LEU 33 -9.773 -6.810 -4.377 252 HG LEU 33 HG LEU 33 -7.044 -8.064 -4.957 253 1HD1 LEU 33 1HD1 LEU 33 -9.811 -9.294 -4.622 254 2HD1 LEU 33 2HD1 LEU 33 -8.322 -10.166 -5.037 255 3HD1 LEU 33 3HD1 LEU 33 -8.475 -9.385 -3.454 256 1HD2 LEU 33 1HD2 LEU 33 -7.898 -7.116 -7.047 257 2HD2 LEU 33 2HD2 LEU 33 -8.117 -8.866 -7.069 258 3HD2 LEU 33 3HD2 LEU 33 -9.508 -7.811 -6.741 259 H TYR 34 H TYR 34 -7.030 -4.216 -2.823 260 HA TYR 34 HA TYR 34 -8.807 -1.981 -2.770 261 1HB TYR 34 2HB TYR 34 -10.172 -3.734 -1.525 262 2HB TYR 34 3HB TYR 34 -8.789 -3.949 -0.438 263 HD1 TYR 34 HD1 TYR 34 -9.920 -3.443 1.602 264 HD2 TYR 34 HD2 TYR 34 -10.175 -0.645 -1.676 265 HE1 TYR 34 HE1 TYR 34 -10.668 -1.662 3.153 266 HE2 TYR 34 HE2 TYR 34 -10.679 1.166 -0.093 267 HH TYR 34 HH TYR 34 -10.898 1.751 2.122 268 H CYS 35 H CYS 35 -7.857 -0.307 -1.452 269 HA CYS 35 HA CYS 35 -5.375 -0.977 0.057 270 1HB CYS 35 2HB CYS 35 -4.729 0.113 -2.047 271 2HB CYS 35 3HB CYS 35 -5.881 1.429 -1.717 272 HG CYS 35 HG CYS 35 -3.526 2.290 -1.200 273 H SER 36 H SER 36 -5.802 -0.534 2.172 274 HA SER 36 HA SER 36 -7.868 1.503 2.872 275 1HB SER 36 2HB SER 36 -8.228 -1.092 3.231 276 2HB SER 36 3HB SER 36 -7.278 -0.806 4.682 277 HG SER 36 HG SER 36 -9.680 0.505 3.956 278 H VAL 37 H VAL 37 -6.530 3.256 3.300 279 HA VAL 37 HA VAL 37 -4.017 2.928 4.735 280 HB VAL 37 HB VAL 37 -3.652 5.253 3.942 281 1HG1 VAL 37 1HG1 VAL 37 -4.549 3.343 1.770 282 2HG1 VAL 37 2HG1 VAL 37 -3.437 4.707 1.593 283 3HG1 VAL 37 3HG1 VAL 37 -2.966 3.313 2.579 284 1HG2 VAL 37 1HG2 VAL 37 -6.296 4.925 2.418 285 2HG2 VAL 37 2HG2 VAL 37 -6.111 5.949 3.850 286 3HG2 VAL 37 3HG2 VAL 37 -5.184 6.282 2.374 287 H ALA 38 H ALA 38 -3.439 4.074 6.641 288 HA ALA 38 HA ALA 38 -5.319 6.027 7.735 289 1HB ALA 38 1HB ALA 38 -5.421 5.028 9.972 290 2HB ALA 38 2HB ALA 38 -6.186 3.947 8.776 291 3HB ALA 38 3HB ALA 38 -4.545 3.609 9.399 292 H LEU 39 H LEU 39 -4.321 7.539 8.887 293 HA LEU 39 HA LEU 39 -1.406 7.575 9.282 294 1HB LEU 39 2HB LEU 39 -3.651 9.534 9.953 295 2HB LEU 39 3HB LEU 39 -1.951 9.831 10.324 296 HG LEU 39 HG LEU 39 -2.943 9.304 7.509 297 1HD1 LEU 39 1HD1 LEU 39 -2.866 11.789 7.221 298 2HD1 LEU 39 2HD1 LEU 39 -4.107 11.272 8.380 299 3HD1 LEU 39 3HD1 LEU 39 -2.571 11.960 8.961 300 1HD2 LEU 39 1HD2 LEU 39 -0.406 10.623 8.594 301 2HD2 LEU 39 2HD2 LEU 39 -0.494 9.024 7.828 302 3HD2 LEU 39 3HD2 LEU 39 -0.840 10.480 6.884 303 H ALA 40 H ALA 40 -4.375 7.850 11.308 304 HA ALA 40 HA ALA 40 -3.293 7.921 13.807 305 1HB ALA 40 1HB ALA 40 -5.705 8.058 13.333 306 2HB ALA 40 2HB ALA 40 -5.747 6.319 12.958 307 3HB ALA 40 3HB ALA 40 -5.377 6.867 14.606 308 H THR 41 H THR 41 -3.836 4.944 11.896 309 HA THR 41 HA THR 41 -2.423 3.325 13.918 310 HB THR 41 HB THR 41 -3.934 2.476 11.480 311 HG1 THR 41 1HG THR 41 -4.935 3.155 13.997 312 1HG2 THR 41 1HG2 THR 41 -4.362 0.398 12.701 313 2HG2 THR 41 2HG2 THR 41 -2.621 0.657 12.757 314 3HG2 THR 41 3HG2 THR 41 -3.604 1.054 14.169 315 H ASN 42 H ASN 42 -1.513 5.088 11.241 316 HA ASN 42 HA ASN 42 0.068 4.918 9.619 317 1HB ASN 42 2HB ASN 42 1.239 4.349 12.247 318 2HB ASN 42 3HB ASN 42 2.211 3.622 10.963 319 1HD2 ASN 42 1HD2 ASN 42 0.346 6.629 11.521 320 2HD2 ASN 42 2HD2 ASN 42 1.479 7.664 10.709 321 H LYS 43 H LYS 43 -1.377 3.501 8.428 322 HA LYS 43 HA LYS 43 0.024 1.038 7.722 323 1HB LYS 43 2HB LYS 43 -2.255 -0.263 8.089 324 2HB LYS 43 3HB LYS 43 -1.049 -0.116 9.351 325 1HG LYS 43 2HG LYS 43 -2.399 0.884 10.682 326 2HG LYS 43 3HG LYS 43 -2.875 2.143 9.547 327 1HD LYS 43 2HD LYS 43 -4.135 -0.617 9.698 328 2HD LYS 43 3HD LYS 43 -4.825 0.844 10.391 329 1HE LYS 43 2HE LYS 43 -5.753 1.478 8.491 330 2HE LYS 43 3HE LYS 43 -4.170 1.541 7.730 331 1HZ LYS 43 1HZ LYS 43 -4.501 -0.983 7.472 332 2HZ LYS 43 2HZ LYS 43 -6.054 -0.716 7.792 333 3HZ LYS 43 3HZ LYS 43 -5.381 0.031 6.472 334 H ALA 44 H ALA 44 -0.932 -0.114 6.100 335 HA ALA 44 HA ALA 44 -3.087 1.004 4.432 336 1HB ALA 44 1HB ALA 44 -1.780 0.906 2.365 337 2HB ALA 44 2HB ALA 44 -1.113 2.122 3.473 338 3HB ALA 44 3HB ALA 44 -0.309 0.552 3.290 339 H HIS 45 H HIS 45 -4.382 -0.694 4.609 340 HA HIS 45 HA HIS 45 -3.326 -3.484 4.406 341 1HB HIS 45 2HB HIS 45 -5.263 -2.795 5.996 342 2HB HIS 45 3HB HIS 45 -6.218 -2.646 4.530 343 HD1 HIS 45 1HD HIS 45 -5.142 -5.289 6.925 344 HD2 HIS 45 2HD HIS 45 -5.841 -4.845 2.844 345 HE1 HIS 45 1HE HIS 45 -5.490 -7.654 6.013 346 H ILE 46 H ILE 46 -2.631 -3.923 2.428 347 HA ILE 46 HA ILE 46 -4.264 -3.034 0.119 348 HB ILE 46 HB ILE 46 -1.363 -3.889 0.251 349 1HG1 ILE 46 2HG1 ILE 46 -2.727 -1.193 -0.262 350 2HG1 ILE 46 3HG1 ILE 46 -1.878 -1.621 1.231 351 1HG2 ILE 46 1HG2 ILE 46 -2.599 -4.534 -1.878 352 2HG2 ILE 46 2HG2 ILE 46 -3.044 -2.825 -2.067 353 3HG2 ILE 46 3HG2 ILE 46 -1.348 -3.338 -2.147 354 1HD1 ILE 46 1HD1 ILE 46 -0.598 -1.432 -1.496 355 2HD1 ILE 46 2HD1 ILE 46 -0.464 -0.261 -0.170 356 3HD1 ILE 46 3HD1 ILE 46 0.210 -1.898 0.020 357 H LYS 47 H LYS 47 -5.634 -4.587 -0.507 358 HA LYS 47 HA LYS 47 -5.071 -7.442 0.124 359 1HB LYS 47 2HB LYS 47 -7.393 -5.912 -1.024 360 2HB LYS 47 3HB LYS 47 -7.228 -7.641 -1.331 361 1HG LYS 47 2HG LYS 47 -6.860 -7.643 1.389 362 2HG LYS 47 3HG LYS 47 -7.805 -6.179 1.207 363 1HD LYS 47 2HD LYS 47 -9.455 -7.779 1.527 364 2HD LYS 47 3HD LYS 47 -9.443 -7.661 -0.228 365 1HE LYS 47 2HE LYS 47 -8.172 -9.830 1.539 366 2HE LYS 47 3HE LYS 47 -9.592 -10.004 0.506 367 1HZ LYS 47 1HZ LYS 47 -8.107 -9.640 -1.406 368 2HZ LYS 47 2HZ LYS 47 -6.807 -9.621 -0.393 369 3HZ LYS 47 3HZ LYS 47 -7.665 -10.974 -0.561 370 H TYR 48 H TYR 48 -2.997 -7.144 -0.976 371 HA TYR 48 HA TYR 48 -2.855 -6.767 -3.789 372 1HB TYR 48 2HB TYR 48 -0.664 -7.217 -3.655 373 2HB TYR 48 3HB TYR 48 -0.986 -6.619 -2.019 374 HD1 TYR 48 HD1 TYR 48 1.240 -8.486 -3.482 375 HD2 TYR 48 HD2 TYR 48 -1.952 -9.123 -0.653 376 HE1 TYR 48 HE1 TYR 48 2.453 -10.422 -2.543 377 HE2 TYR 48 HE2 TYR 48 -0.720 -11.058 0.283 378 HH TYR 48 HH TYR 48 1.365 -12.147 0.362 379 H ASP 49 H ASP 49 -2.475 -8.303 -5.512 380 HA ASP 49 HA ASP 49 -3.111 -11.130 -4.815 381 1HB ASP 49 2HB ASP 49 -4.595 -10.272 -6.510 382 2HB ASP 49 3HB ASP 49 -3.207 -9.826 -7.518 383 HA PRO 50 HA PRO 50 1.366 -11.191 -5.073 384 1HB PRO 50 2HB PRO 50 1.840 -13.839 -4.590 385 2HB PRO 50 3HB PRO 50 1.291 -12.704 -3.329 386 1HG PRO 50 2HG PRO 50 -0.414 -14.582 -4.984 387 2HG PRO 50 3HG PRO 50 -0.421 -14.381 -3.205 388 1HD PRO 50 2HD PRO 50 -2.211 -13.122 -4.796 389 2HD PRO 50 3HD PRO 50 -1.521 -12.268 -3.376 390 H GLU 51 H GLU 51 -0.775 -12.980 -7.318 391 HA GLU 51 HA GLU 51 1.480 -14.225 -8.717 392 1HB GLU 51 2HB GLU 51 -1.466 -13.994 -9.477 393 2HB GLU 51 3HB GLU 51 -0.227 -14.957 -10.293 394 1HG GLU 51 2HG GLU 51 0.147 -16.215 -8.132 395 2HG GLU 51 3HG GLU 51 -1.216 -15.322 -7.428 396 H ILE 52 H ILE 52 -0.739 -11.483 -9.132 397 HA ILE 52 HA ILE 52 0.691 -10.643 -11.580 398 HB ILE 52 HB ILE 52 -1.662 -10.571 -11.675 399 1HG1 ILE 52 2HG1 ILE 52 -2.148 -8.260 -12.313 400 2HG1 ILE 52 3HG1 ILE 52 -0.667 -7.697 -11.537 401 1HG2 ILE 52 1HG2 ILE 52 -1.657 -8.824 -9.232 402 2HG2 ILE 52 2HG2 ILE 52 -3.047 -9.050 -10.331 403 3HG2 ILE 52 3HG2 ILE 52 -2.384 -10.430 -9.477 404 1HD1 ILE 52 1HD1 ILE 52 0.677 -9.000 -13.168 405 2HD1 ILE 52 2HD1 ILE 52 -0.812 -9.696 -13.847 406 3HD1 ILE 52 3HD1 ILE 52 -0.476 -7.960 -14.015 407 H ILE 53 H ILE 53 0.495 -9.601 -8.148 408 HA ILE 53 HA ILE 53 2.422 -7.422 -8.767 409 HB ILE 53 HB ILE 53 -0.359 -7.315 -7.718 410 1HG1 ILE 53 2HG1 ILE 53 0.355 -6.282 -9.875 411 2HG1 ILE 53 3HG1 ILE 53 -0.435 -5.176 -8.748 412 1HG2 ILE 53 1HG2 ILE 53 0.537 -6.776 -5.650 413 2HG2 ILE 53 2HG2 ILE 53 1.796 -5.725 -6.350 414 3HG2 ILE 53 3HG2 ILE 53 0.075 -5.253 -6.403 415 1HD1 ILE 53 1HD1 ILE 53 1.739 -4.194 -8.117 416 2HD1 ILE 53 2HD1 ILE 53 2.570 -5.301 -9.233 417 3HD1 ILE 53 3HD1 ILE 53 1.446 -4.095 -9.859 418 H GLY 54 H GLY 54 4.224 -7.827 -7.724 419 1HA GLY 54 2HA GLY 54 4.257 -9.631 -5.409 420 2HA GLY 54 1HA GLY 54 5.635 -8.843 -6.204 421 HA PRO 55 HA PRO 55 4.302 -6.560 -2.178 422 1HB PRO 55 2HB PRO 55 6.540 -7.187 -0.669 423 2HB PRO 55 3HB PRO 55 5.026 -8.131 -0.651 424 1HG PRO 55 2HG PRO 55 7.523 -8.727 -2.237 425 2HG PRO 55 3HG PRO 55 6.542 -9.844 -1.251 426 1HD PRO 55 2HD PRO 55 6.224 -9.713 -3.935 427 2HD PRO 55 3HD PRO 55 4.803 -9.899 -2.870 428 H ARG 56 H ARG 56 7.469 -7.170 -3.731 429 HA ARG 56 HA ARG 56 8.623 -4.630 -3.340 430 1HB ARG 56 2HB ARG 56 10.093 -5.187 -5.179 431 2HB ARG 56 3HB ARG 56 9.921 -6.496 -4.024 432 1HG ARG 56 2HG ARG 56 9.409 -7.911 -5.643 433 2HG ARG 56 3HG ARG 56 7.946 -7.017 -6.040 434 1HD ARG 56 2HD ARG 56 10.719 -6.378 -7.183 435 2HD ARG 56 3HD ARG 56 9.530 -7.426 -7.935 436 HE ARG 56 HE ARG 56 8.044 -5.684 -8.392 437 1HH1 ARG 56 2HH2 ARG 56 10.976 -4.319 -6.928 438 2HH1 ARG 56 1HH2 ARG 56 10.699 -2.743 -7.605 439 1HH2 ARG 56 2HH1 ARG 56 7.705 -3.816 -9.217 440 2HH2 ARG 56 1HH1 ARG 56 8.754 -2.407 -9.018 441 H ASP 57 H ASP 57 6.090 -5.580 -5.676 442 HA ASP 57 HA ASP 57 6.504 -3.225 -7.359 443 1HB ASP 57 2HB ASP 57 4.105 -5.093 -7.147 444 2HB ASP 57 3HB ASP 57 4.381 -3.854 -8.378 445 H ILE 58 H ILE 58 4.220 -4.240 -4.824 446 HA ILE 58 HA ILE 58 2.796 -1.780 -4.623 447 HB ILE 58 HB ILE 58 3.351 -4.104 -2.783 448 1HG1 ILE 58 2HG1 ILE 58 0.743 -2.858 -3.735 449 2HG1 ILE 58 3HG1 ILE 58 1.681 -3.946 -4.766 450 1HG2 ILE 58 1HG2 ILE 58 1.847 -3.134 -1.072 451 2HG2 ILE 58 2HG2 ILE 58 3.328 -2.205 -1.199 452 3HG2 ILE 58 3HG2 ILE 58 1.839 -1.592 -1.957 453 1HD1 ILE 58 1HD1 ILE 58 0.616 -4.707 -2.021 454 2HD1 ILE 58 2HD1 ILE 58 -0.070 -5.116 -3.601 455 3HD1 ILE 58 3HD1 ILE 58 1.532 -5.746 -3.143 456 H ILE 59 H ILE 59 5.658 -2.867 -2.705 457 HA ILE 59 HA ILE 59 6.087 -0.507 -1.272 458 HB ILE 59 HB ILE 59 7.929 -2.651 -2.363 459 1HG1 ILE 59 2HG1 ILE 59 7.133 -2.083 0.524 460 2HG1 ILE 59 3HG1 ILE 59 6.109 -3.061 -0.530 461 1HG2 ILE 59 1HG2 ILE 59 8.642 -0.337 -0.532 462 2HG2 ILE 59 2HG2 ILE 59 9.643 -1.791 -0.726 463 3HG2 ILE 59 3HG2 ILE 59 9.359 -0.740 -2.107 464 1HD1 ILE 59 1HD1 ILE 59 7.987 -4.608 -0.964 465 2HD1 ILE 59 2HD1 ILE 59 8.984 -3.717 0.209 466 3HD1 ILE 59 3HD1 ILE 59 7.509 -4.540 0.740 467 H HIS 60 H HIS 60 7.551 -1.420 -4.464 468 HA HIS 60 HA HIS 60 8.822 1.017 -4.926 469 1HB HIS 60 2HB HIS 60 9.089 -1.073 -6.246 470 2HB HIS 60 3HB HIS 60 7.534 -0.757 -7.034 471 HD1 HIS 60 1HD HIS 60 7.556 1.670 -8.549 472 HD2 HIS 60 2HD HIS 60 11.198 0.208 -7.044 473 HE1 HIS 60 1HE HIS 60 9.400 2.859 -9.835 474 H THR 61 H THR 61 5.375 0.162 -5.484 475 HA THR 61 HA THR 61 4.825 2.480 -7.114 476 HB THR 61 HB THR 61 2.876 0.812 -5.469 477 HG1 THR 61 1HG THR 61 4.078 -0.363 -7.050 478 1HG2 THR 61 1HG2 THR 61 2.435 2.598 -7.905 479 2HG2 THR 61 2HG2 THR 61 1.205 1.649 -7.046 480 3HG2 THR 61 3HG2 THR 61 1.972 3.033 -6.249 481 H ILE 62 H ILE 62 4.414 1.728 -3.619 482 HA ILE 62 HA ILE 62 3.445 4.288 -2.813 483 HB ILE 62 HB ILE 62 4.905 2.015 -1.457 484 1HG1 ILE 62 2HG1 ILE 62 2.804 2.324 0.067 485 2HG1 ILE 62 3HG1 ILE 62 2.173 3.364 -1.207 486 1HG2 ILE 62 1HG2 ILE 62 5.892 4.011 -0.356 487 2HG2 ILE 62 2HG2 ILE 62 4.251 4.673 -0.117 488 3HG2 ILE 62 3HG2 ILE 62 4.766 3.204 0.721 489 1HD1 ILE 62 1HD1 ILE 62 1.348 1.056 -1.321 490 2HD1 ILE 62 2HD1 ILE 62 2.306 1.417 -2.770 491 3HD1 ILE 62 3HD1 ILE 62 3.005 0.446 -1.444 492 H GLU 63 H GLU 63 6.833 3.051 -2.965 493 HA GLU 63 HA GLU 63 8.083 5.431 -2.182 494 1HB GLU 63 2HB GLU 63 8.995 3.182 -4.000 495 2HB GLU 63 3HB GLU 63 10.075 4.448 -3.408 496 1HG GLU 63 2HG GLU 63 9.763 3.835 -1.123 497 2HG GLU 63 3HG GLU 63 8.427 2.743 -1.485 498 H SER 64 H SER 64 6.912 4.472 -5.387 499 HA SER 64 HA SER 64 8.211 6.533 -6.860 500 1HB SER 64 2HB SER 64 5.632 5.058 -7.508 501 2HB SER 64 3HB SER 64 6.586 6.037 -8.634 502 HG SER 64 HG SER 64 7.621 3.810 -7.216 503 H LEU 65 H LEU 65 5.497 6.843 -4.635 504 HA LEU 65 HA LEU 65 4.650 9.399 -5.852 505 1HB LEU 65 2HB LEU 65 3.984 7.921 -3.299 506 2HB LEU 65 3HB LEU 65 3.443 9.576 -3.609 507 HG LEU 65 HG LEU 65 1.683 8.097 -4.058 508 1HD1 LEU 65 1HD1 LEU 65 1.006 8.761 -6.252 509 2HD1 LEU 65 2HD1 LEU 65 2.028 10.064 -5.609 510 3HD1 LEU 65 3HD1 LEU 65 2.677 8.926 -6.809 511 1HD2 LEU 65 1HD2 LEU 65 3.324 6.611 -6.120 512 2HD2 LEU 65 2HD2 LEU 65 2.898 6.035 -4.486 513 3HD2 LEU 65 3HD2 LEU 65 1.631 6.331 -5.685 514 H GLY 66 H GLY 66 5.406 9.224 -2.405 515 1HA GLY 66 2HA GLY 66 8.038 10.418 -2.684 516 2HA GLY 66 1HA GLY 66 6.806 11.585 -2.153 517 H PHE 67 H PHE 67 7.328 8.079 -1.496 518 HA PHE 67 HA PHE 67 7.025 8.586 1.440 519 1HB PHE 67 2HB PHE 67 5.602 6.525 -0.252 520 2HB PHE 67 3HB PHE 67 5.342 6.792 1.469 521 HD1 PHE 67 1HD PHE 67 5.125 9.880 1.418 522 HD2 PHE 67 2HD PHE 67 3.390 6.803 -1.072 523 HE1 PHE 67 1HE PHE 67 3.313 11.412 0.785 524 HE2 PHE 67 2HE PHE 67 1.519 8.334 -1.624 525 HZ PHE 67 HZ PHE 67 1.469 10.627 -0.691 526 H GLU 68 H GLU 68 7.329 6.310 2.583 527 HA GLU 68 HA GLU 68 8.860 4.380 1.048 528 1HB GLU 68 2HB GLU 68 10.478 4.092 2.991 529 2HB GLU 68 3HB GLU 68 10.762 5.480 1.942 530 1HG GLU 68 2HG GLU 68 9.905 7.035 3.548 531 2HG GLU 68 3HG GLU 68 9.170 5.733 4.495 532 H ALA 69 H ALA 69 9.023 2.333 2.456 533 HA ALA 69 HA ALA 69 6.402 1.934 3.836 534 1HB ALA 69 1HB ALA 69 7.633 0.413 1.501 535 2HB ALA 69 2HB ALA 69 6.184 -0.098 2.376 536 3HB ALA 69 3HB ALA 69 6.169 1.415 1.447 537 H SER 70 H SER 70 6.361 0.168 5.321 538 HA SER 70 HA SER 70 8.628 -1.717 5.326 539 1HB SER 70 2HB SER 70 7.891 -0.105 7.808 540 2HB SER 70 3HB SER 70 8.999 -1.488 7.759 541 HG SER 70 HG SER 70 9.757 0.187 5.851 542 H LEU 71 H LEU 71 7.762 -3.727 5.461 543 HA LEU 71 HA LEU 71 5.036 -4.242 6.349 544 1HB LEU 71 2HB LEU 71 7.421 -5.993 5.664 545 2HB LEU 71 3HB LEU 71 5.955 -6.637 6.404 546 HG LEU 71 HG LEU 71 4.573 -5.792 4.553 547 1HD1 LEU 71 1HD1 LEU 71 7.248 -5.023 3.294 548 2HD1 LEU 71 2HD1 LEU 71 5.714 -5.157 2.409 549 3HD1 LEU 71 3HD1 LEU 71 5.890 -3.930 3.662 550 1HD2 LEU 71 1HD2 LEU 71 5.424 -8.097 4.576 551 2HD2 LEU 71 2HD2 LEU 71 5.295 -7.480 2.922 552 3HD2 LEU 71 3HD2 LEU 71 6.887 -7.580 3.708 553 H VAL 72 H VAL 72 4.397 -5.267 8.272 554 HA VAL 72 HA VAL 72 6.318 -5.484 10.497 555 HB VAL 72 HB VAL 72 3.664 -3.959 10.637 556 1HG1 VAL 72 1HG1 VAL 72 5.783 -4.491 12.764 557 2HG1 VAL 72 2HG1 VAL 72 4.341 -3.472 12.962 558 3HG1 VAL 72 3HG1 VAL 72 4.157 -5.209 12.703 559 1HG2 VAL 72 1HG2 VAL 72 6.531 -2.943 10.725 560 2HG2 VAL 72 2HG2 VAL 72 5.249 -2.499 9.570 561 3HG2 VAL 72 3HG2 VAL 72 5.124 -2.011 11.266 562 H LYS 73 H LYS 73 5.860 -7.418 11.462 563 HA LYS 73 HA LYS 73 5.017 -9.398 11.881 564 1HB LYS 73 2HB LYS 73 3.020 -9.531 12.694 565 2HB LYS 73 3HB LYS 73 2.689 -7.904 12.150 566 1HG LYS 73 2HG LYS 73 2.010 -10.464 10.602 567 2HG LYS 73 3HG LYS 73 0.929 -9.569 11.667 568 1HD LYS 73 2HD LYS 73 1.186 -7.536 10.266 569 2HD LYS 73 3HD LYS 73 2.130 -8.466 9.093 570 1HE LYS 73 2HE LYS 73 -0.783 -8.965 9.845 571 2HE LYS 73 3HE LYS 73 -0.167 -8.123 8.421 572 1HZ LYS 73 1HZ LYS 73 -0.268 -10.944 8.876 573 2HZ LYS 73 2HZ LYS 73 -0.267 -10.028 7.484 574 3HZ LYS 73 3HZ LYS 73 1.141 -10.434 8.223 575 H ILE 74 H ILE 74 4.471 -11.429 10.828 576 HA ILE 74 HA ILE 74 5.653 -11.408 8.220 577 HB ILE 74 HB ILE 74 5.361 -13.837 8.277 578 1HG1 ILE 74 2HG1 ILE 74 3.924 -13.419 10.946 579 2HG1 ILE 74 3HG1 ILE 74 3.168 -13.952 9.437 580 1HG2 ILE 74 1HG2 ILE 74 7.263 -12.640 9.394 581 2HG2 ILE 74 2HG2 ILE 74 6.393 -12.759 10.935 582 3HG2 ILE 74 3HG2 ILE 74 6.922 -14.224 10.084 583 1HD1 ILE 74 1HD1 ILE 74 5.274 -15.460 11.033 584 2HD1 ILE 74 2HD1 ILE 74 3.572 -15.882 10.805 585 3HD1 ILE 74 3HD1 ILE 74 4.686 -15.947 9.424 586 H GLU 75 H GLU 75 4.834 -12.213 6.216 587 HA GLU 75 HA GLU 75 2.091 -12.564 5.626 588 1HB GLU 75 2HB GLU 75 3.575 -10.035 4.658 589 2HB GLU 75 3HB GLU 75 2.081 -10.683 3.947 590 1HG GLU 75 2HG GLU 75 1.029 -10.592 6.146 591 2HG GLU 75 3HG GLU 75 2.449 -9.650 6.791 Start of MODEL 29 1 1H MET 1 H1 MET 1 -7.111 -13.287 -6.172 2 2H MET 1 H2 MET 1 -7.406 -13.321 -7.718 3 3H MET 1 H3 MET 1 -8.670 -13.150 -6.616 4 HA MET 1 HA MET 1 -8.898 -15.385 -7.083 5 1HB MET 1 2HB MET 1 -7.091 -16.914 -7.401 6 2HB MET 1 3HB MET 1 -6.899 -15.553 -8.489 7 1HG MET 1 2HG MET 1 -4.837 -15.115 -7.718 8 2HG MET 1 3HG MET 1 -5.376 -15.055 -6.040 9 1HE MET 1 1HE MET 1 -3.158 -16.060 -5.035 10 2HE MET 1 2HE MET 1 -2.308 -17.432 -5.785 11 3HE MET 1 3HE MET 1 -2.522 -15.919 -6.696 12 H GLY 2 H GLY 2 -6.844 -17.052 -5.315 13 1HA GLY 2 2HA GLY 2 -7.870 -16.441 -2.644 14 2HA GLY 2 1HA GLY 2 -6.556 -17.545 -3.094 15 H ASP 3 H ASP 3 -7.398 -14.100 -2.801 16 HA ASP 3 HA ASP 3 -4.927 -13.025 -3.399 17 1HB ASP 3 2HB ASP 3 -5.731 -10.984 -2.701 18 2HB ASP 3 3HB ASP 3 -7.212 -11.868 -3.076 19 H GLY 4 H GLY 4 -3.375 -11.888 -2.081 20 1HA GLY 4 2HA GLY 4 -2.709 -13.216 0.522 21 2HA GLY 4 1HA GLY 4 -1.537 -12.489 -0.592 22 H VAL 5 H VAL 5 -2.396 -11.813 2.251 23 HA VAL 5 HA VAL 5 -3.297 -8.999 1.946 24 HB VAL 5 HB VAL 5 -3.331 -8.965 4.392 25 1HG1 VAL 5 1HG1 VAL 5 -4.916 -11.274 3.189 26 2HG1 VAL 5 2HG1 VAL 5 -5.270 -10.452 4.722 27 3HG1 VAL 5 3HG1 VAL 5 -5.370 -9.554 3.203 28 1HG2 VAL 5 1HG2 VAL 5 -1.582 -10.662 4.884 29 2HG2 VAL 5 2HG2 VAL 5 -3.098 -10.991 5.727 30 3HG2 VAL 5 3HG2 VAL 5 -2.668 -11.939 4.293 31 H LEU 6 H LEU 6 -1.922 -7.255 2.767 32 HA LEU 6 HA LEU 6 0.739 -8.002 3.748 33 1HB LEU 6 2HB LEU 6 0.369 -7.263 1.077 34 2HB LEU 6 3HB LEU 6 0.513 -5.685 1.820 35 HG LEU 6 HG LEU 6 2.585 -6.244 1.084 36 1HD1 LEU 6 1HD1 LEU 6 2.572 -5.400 3.453 37 2HD1 LEU 6 2HD1 LEU 6 2.801 -7.063 4.019 38 3HD1 LEU 6 3HD1 LEU 6 4.043 -6.298 3.021 39 1HD2 LEU 6 1HD2 LEU 6 3.802 -8.353 1.521 40 2HD2 LEU 6 2HD2 LEU 6 2.378 -8.994 2.377 41 3HD2 LEU 6 3HD2 LEU 6 2.289 -8.620 0.648 42 H GLU 7 H GLU 7 1.194 -6.697 5.513 43 HA GLU 7 HA GLU 7 -0.406 -4.193 5.867 44 1HB GLU 7 2HB GLU 7 0.357 -6.252 7.943 45 2HB GLU 7 3HB GLU 7 -0.197 -4.599 8.306 46 1HG GLU 7 2HG GLU 7 -2.216 -4.959 6.908 47 2HG GLU 7 3HG GLU 7 -1.723 -6.634 6.623 48 H LEU 8 H LEU 8 0.748 -2.564 5.466 49 HA LEU 8 HA LEU 8 3.690 -2.519 6.038 50 1HB LEU 8 2HB LEU 8 1.956 -0.864 4.180 51 2HB LEU 8 3HB LEU 8 3.703 -0.723 4.348 52 HG LEU 8 HG LEU 8 2.159 -3.122 3.247 53 1HD1 LEU 8 1HD1 LEU 8 3.818 -1.029 1.795 54 2HD1 LEU 8 2HD1 LEU 8 3.034 -2.445 1.068 55 3HD1 LEU 8 3HD1 LEU 8 2.047 -1.160 1.780 56 1HD2 LEU 8 1HD2 LEU 8 5.169 -2.610 3.443 57 2HD2 LEU 8 2HD2 LEU 8 4.244 -3.918 4.205 58 3HD2 LEU 8 3HD2 LEU 8 4.428 -3.875 2.448 59 H VAL 9 H VAL 9 4.384 -1.009 7.554 60 HA VAL 9 HA VAL 9 2.563 1.132 8.467 61 HB VAL 9 HB VAL 9 5.127 -0.058 9.388 62 1HG1 VAL 9 1HG1 VAL 9 5.769 2.061 10.612 63 2HG1 VAL 9 2HG1 VAL 9 6.178 2.021 8.905 64 3HG1 VAL 9 3HG1 VAL 9 4.755 2.953 9.458 65 1HG2 VAL 9 1HG2 VAL 9 3.284 1.685 11.016 66 2HG2 VAL 9 2HG2 VAL 9 2.784 0.030 10.567 67 3HG2 VAL 9 3HG2 VAL 9 4.258 0.305 11.519 68 H VAL 10 H VAL 10 2.122 2.283 6.593 69 HA VAL 10 HA VAL 10 4.317 3.119 4.836 70 HB VAL 10 HB VAL 10 1.330 3.690 4.842 71 1HG1 VAL 10 1HG1 VAL 10 2.585 5.575 3.866 72 2HG1 VAL 10 2HG1 VAL 10 3.508 4.447 2.846 73 3HG1 VAL 10 3HG1 VAL 10 1.752 4.645 2.615 74 1HG2 VAL 10 1HG2 VAL 10 1.872 1.384 4.235 75 2HG2 VAL 10 2HG2 VAL 10 1.438 2.274 2.763 76 3HG2 VAL 10 3HG2 VAL 10 3.138 1.928 3.115 77 H ARG 11 H ARG 11 5.355 5.039 5.078 78 HA ARG 11 HA ARG 11 4.390 6.999 7.094 79 1HB ARG 11 2HB ARG 11 6.574 6.884 8.257 80 2HB ARG 11 3HB ARG 11 5.651 5.375 8.349 81 1HG ARG 11 2HG ARG 11 7.024 4.566 6.329 82 2HG ARG 11 3HG ARG 11 8.060 5.976 6.599 83 1HD ARG 11 2HD ARG 11 7.504 4.057 8.887 84 2HD ARG 11 3HD ARG 11 8.494 3.536 7.535 85 HE ARG 11 HE ARG 11 9.219 6.124 8.726 86 1HH1 ARG 11 2HH2 ARG 11 10.243 2.785 8.118 87 2HH1 ARG 11 1HH2 ARG 11 11.522 2.803 9.256 88 1HH2 ARG 11 2HH1 ARG 11 11.242 6.296 9.786 89 2HH2 ARG 11 1HH1 ARG 11 12.266 4.906 9.955 90 H GLY 12 H GLY 12 4.986 9.046 6.677 91 1HA GLY 12 2HA GLY 12 6.405 10.675 5.499 92 2HA GLY 12 1HA GLY 12 6.446 9.584 4.111 93 H MET 13 H MET 13 3.528 8.825 4.656 94 HA MET 13 HA MET 13 2.318 10.816 2.979 95 1HB MET 13 2HB MET 13 0.307 9.468 3.139 96 2HB MET 13 3HB MET 13 1.751 8.536 2.726 97 1HG MET 13 2HG MET 13 1.843 7.622 5.014 98 2HG MET 13 3HG MET 13 0.458 8.619 5.463 99 1HE MET 13 1HE MET 13 0.473 5.660 6.163 100 2HE MET 13 2HE MET 13 -0.891 6.766 6.448 101 3HE MET 13 3HE MET 13 -1.169 5.190 5.661 102 H THR 14 H THR 14 2.911 12.568 4.309 103 HA THR 14 HA THR 14 2.264 13.102 6.850 104 HB THR 14 HB THR 14 3.704 14.449 5.435 105 HG1 THR 14 1HG THR 14 3.161 16.441 6.377 106 1HG2 THR 14 1HG2 THR 14 2.855 16.248 4.022 107 2HG2 THR 14 2HG2 THR 14 2.246 14.696 3.433 108 3HG2 THR 14 3HG2 THR 14 1.180 15.779 4.356 109 H CYS 15 H CYS 15 -0.210 13.383 4.259 110 HA CYS 15 HA CYS 15 -2.210 14.117 6.318 111 1HB CYS 15 2HB CYS 15 -2.874 16.108 5.150 112 2HB CYS 15 3HB CYS 15 -1.149 16.210 5.469 113 H ALA 16 H ALA 16 -4.392 14.316 5.328 114 HA ALA 16 HA ALA 16 -5.315 11.970 4.199 115 1HB ALA 16 1HB ALA 16 -6.765 13.638 5.271 116 2HB ALA 16 2HB ALA 16 -6.501 14.764 3.919 117 3HB ALA 16 3HB ALA 16 -7.364 13.238 3.648 118 H SER 17 H SER 17 -4.290 14.972 2.505 119 HA SER 17 HA SER 17 -5.038 14.219 -0.088 120 1HB SER 17 2HB SER 17 -2.695 15.992 0.631 121 2HB SER 17 3HB SER 17 -3.693 16.017 -0.829 122 HG SER 17 HG SER 17 -5.496 16.518 0.559 123 H CYS 18 H CYS 18 -2.203 13.264 1.863 124 HA CYS 18 HA CYS 18 -0.926 11.906 -0.405 125 1HB CYS 18 2HB CYS 18 -0.288 11.830 2.537 126 2HB CYS 18 3HB CYS 18 0.554 10.953 1.266 127 H VAL 19 H VAL 19 -2.882 11.050 2.475 128 HA VAL 19 HA VAL 19 -2.812 8.267 2.152 129 HB VAL 19 HB VAL 19 -5.138 9.972 3.123 130 1HG1 VAL 19 1HG1 VAL 19 -5.898 7.989 4.336 131 2HG1 VAL 19 2HG1 VAL 19 -5.915 7.670 2.600 132 3HG1 VAL 19 3HG1 VAL 19 -4.600 7.028 3.613 133 1HG2 VAL 19 1HG2 VAL 19 -3.006 10.268 4.418 134 2HG2 VAL 19 2HG2 VAL 19 -4.256 9.451 5.361 135 3HG2 VAL 19 3HG2 VAL 19 -2.925 8.516 4.649 136 H HIS 20 H HIS 20 -5.414 10.415 0.776 137 HA HIS 20 HA HIS 20 -6.460 8.138 -0.659 138 1HB HIS 20 2HB HIS 20 -8.157 9.403 -1.459 139 2HB HIS 20 3HB HIS 20 -7.819 10.102 0.123 140 HD1 HIS 20 1HD HIS 20 -9.174 11.489 -2.627 141 HD2 HIS 20 2HD HIS 20 -5.418 12.082 -0.858 142 HE1 HIS 20 1HE HIS 20 -8.387 13.808 -3.347 143 H LYS 21 H LYS 21 -4.039 10.530 -1.492 144 HA LYS 21 HA LYS 21 -3.844 10.081 -4.312 145 1HB LYS 21 2HB LYS 21 -2.653 11.891 -3.425 146 2HB LYS 21 3HB LYS 21 -2.008 10.927 -2.108 147 1HG LYS 21 2HG LYS 21 -0.649 9.701 -4.042 148 2HG LYS 21 3HG LYS 21 -0.933 11.231 -4.874 149 1HD LYS 21 2HD LYS 21 0.272 10.827 -2.086 150 2HD LYS 21 3HD LYS 21 1.209 11.145 -3.549 151 1HE LYS 21 2HE LYS 21 0.321 13.352 -3.793 152 2HE LYS 21 3HE LYS 21 -0.905 13.113 -2.543 153 1HZ LYS 21 1HZ LYS 21 1.988 13.173 -2.001 154 2HZ LYS 21 2HZ LYS 21 0.951 14.424 -1.789 155 3HZ LYS 21 3HZ LYS 21 0.798 13.104 -0.857 156 H ILE 22 H ILE 22 -2.213 8.454 -1.490 157 HA ILE 22 HA ILE 22 -0.980 6.430 -3.073 158 HB ILE 22 HB ILE 22 -1.939 6.239 -0.187 159 1HG1 ILE 22 2HG1 ILE 22 0.795 6.731 -1.449 160 2HG1 ILE 22 3HG1 ILE 22 -0.199 7.925 -0.597 161 1HG2 ILE 22 1HG2 ILE 22 -0.200 4.380 -1.874 162 2HG2 ILE 22 2HG2 ILE 22 -0.385 4.233 -0.119 163 3HG2 ILE 22 3HG2 ILE 22 -1.768 3.970 -1.153 164 1HD1 ILE 22 1HD1 ILE 22 -0.118 6.293 1.408 165 2HD1 ILE 22 2HD1 ILE 22 1.258 5.546 0.552 166 3HD1 ILE 22 3HD1 ILE 22 1.331 7.238 1.033 167 H GLU 23 H GLU 23 -4.088 6.290 -1.260 168 HA GLU 23 HA GLU 23 -4.747 3.705 -2.016 169 1HB GLU 23 2HB GLU 23 -5.894 5.312 -0.359 170 2HB GLU 23 3HB GLU 23 -6.846 5.898 -1.725 171 1HG GLU 23 2HG GLU 23 -6.669 3.009 -0.778 172 2HG GLU 23 3HG GLU 23 -7.976 4.135 -0.392 173 H SER 24 H SER 24 -5.923 6.665 -3.648 174 HA SER 24 HA SER 24 -7.251 5.390 -5.751 175 1HB SER 24 2HB SER 24 -7.527 7.756 -5.060 176 2HB SER 24 3HB SER 24 -5.938 8.151 -5.739 177 HG SER 24 HG SER 24 -8.150 7.078 -7.179 178 H SER 25 H SER 25 -3.822 6.513 -5.580 179 HA SER 25 HA SER 25 -3.276 5.984 -8.359 180 1HB SER 25 2HB SER 25 -1.952 7.529 -6.958 181 2HB SER 25 3HB SER 25 -1.388 6.170 -5.975 182 HG SER 25 HG SER 25 -0.314 5.372 -7.805 183 H LEU 26 H LEU 26 -2.520 4.169 -5.325 184 HA LEU 26 HA LEU 26 -1.236 2.017 -6.460 185 1HB LEU 26 2HB LEU 26 -1.115 2.574 -4.163 186 2HB LEU 26 3HB LEU 26 -2.884 2.485 -3.975 187 HG LEU 26 HG LEU 26 -2.887 0.105 -4.216 188 1HD1 LEU 26 1HD1 LEU 26 -0.761 -1.157 -4.164 189 2HD1 LEU 26 2HD1 LEU 26 -0.870 -0.198 -5.640 190 3HD1 LEU 26 3HD1 LEU 26 0.159 0.360 -4.303 191 1HD2 LEU 26 1HD2 LEU 26 -2.612 1.263 -2.043 192 2HD2 LEU 26 2HD2 LEU 26 -1.878 -0.357 -2.038 193 3HD2 LEU 26 3HD2 LEU 26 -0.856 1.093 -2.177 194 H THR 27 H THR 27 -4.734 2.323 -5.556 195 HA THR 27 HA THR 27 -5.461 -0.210 -6.567 196 HB THR 27 HB THR 27 -7.103 2.292 -6.045 197 HG1 THR 27 1HG THR 27 -7.125 1.482 -3.991 198 1HG2 THR 27 1HG2 THR 27 -7.928 -0.649 -6.228 199 2HG2 THR 27 2HG2 THR 27 -8.937 0.658 -5.572 200 3HG2 THR 27 3HG2 THR 27 -8.491 0.669 -7.286 201 H LYS 28 H LYS 28 -4.445 2.479 -8.479 202 HA LYS 28 HA LYS 28 -6.004 1.803 -10.797 203 1HB LYS 28 2HB LYS 28 -4.722 3.223 -11.967 204 2HB LYS 28 3HB LYS 28 -4.615 3.919 -10.364 205 1HG LYS 28 2HG LYS 28 -2.392 4.028 -10.775 206 2HG LYS 28 3HG LYS 28 -2.346 2.313 -10.440 207 1HD LYS 28 2HD LYS 28 -1.224 2.572 -12.493 208 2HD LYS 28 3HD LYS 28 -2.816 1.944 -12.957 209 1HE LYS 28 2HE LYS 28 -3.535 4.309 -13.494 210 2HE LYS 28 3HE LYS 28 -1.952 4.896 -12.973 211 1HZ LYS 28 1HZ LYS 28 -0.965 3.655 -14.768 212 2HZ LYS 28 2HZ LYS 28 -2.437 3.088 -15.245 213 3HZ LYS 28 3HZ LYS 28 -2.102 4.693 -15.338 214 H HIS 29 H HIS 29 -3.205 0.315 -9.222 215 HA HIS 29 HA HIS 29 -2.440 -1.218 -11.611 216 1HB HIS 29 2HB HIS 29 -1.469 -1.632 -8.782 217 2HB HIS 29 3HB HIS 29 -0.704 -2.122 -10.297 218 HD1 HIS 29 1HD HIS 29 0.053 0.282 -11.830 219 HD2 HIS 29 2HD HIS 29 -0.495 0.383 -7.686 220 HE1 HIS 29 1HE HIS 29 1.200 2.423 -10.962 221 H ARG 30 H ARG 30 -4.716 -1.898 -11.781 222 HA ARG 30 HA ARG 30 -6.222 -3.579 -10.229 223 1HB ARG 30 2HB ARG 30 -5.654 -3.978 -13.200 224 2HB ARG 30 3HB ARG 30 -7.032 -4.630 -12.303 225 1HG ARG 30 2HG ARG 30 -7.723 -2.260 -11.764 226 2HG ARG 30 3HG ARG 30 -6.426 -1.685 -12.826 227 1HD ARG 30 2HD ARG 30 -7.362 -3.020 -14.705 228 2HD ARG 30 3HD ARG 30 -8.745 -3.472 -13.718 229 HE ARG 30 HE ARG 30 -8.227 -0.975 -15.101 230 1HH1 ARG 30 2HH2 ARG 30 -9.844 -2.280 -12.268 231 2HH1 ARG 30 1HH2 ARG 30 -11.063 -1.046 -12.169 232 1HH2 ARG 30 2HH1 ARG 30 -9.818 0.700 -15.026 233 2HH2 ARG 30 1HH1 ARG 30 -11.030 0.703 -13.787 234 H GLY 31 H GLY 31 -5.331 -5.121 -8.885 235 1HA GLY 31 2HA GLY 31 -4.334 -7.605 -9.445 236 2HA GLY 31 1HA GLY 31 -2.930 -6.537 -9.731 237 H ILE 32 H ILE 32 -3.546 -4.512 -7.867 238 HA ILE 32 HA ILE 32 -3.700 -5.839 -5.210 239 HB ILE 32 HB ILE 32 -2.326 -4.062 -4.954 240 1HG1 ILE 32 2HG1 ILE 32 -4.454 -4.011 -3.479 241 2HG1 ILE 32 3HG1 ILE 32 -3.321 -2.662 -3.442 242 1HG2 ILE 32 1HG2 ILE 32 -2.699 -1.758 -5.842 243 2HG2 ILE 32 2HG2 ILE 32 -2.303 -2.978 -7.038 244 3HG2 ILE 32 3HG2 ILE 32 -3.986 -2.412 -6.878 245 1HD1 ILE 32 1HD1 ILE 32 -5.761 -1.996 -3.531 246 2HD1 ILE 32 2HD1 ILE 32 -4.714 -1.259 -4.737 247 3HD1 ILE 32 3HD1 ILE 32 -5.798 -2.575 -5.207 248 H LEU 33 H LEU 33 -5.660 -5.884 -4.165 249 HA LEU 33 HA LEU 33 -8.063 -5.499 -5.897 250 1HB LEU 33 2HB LEU 33 -7.684 -7.217 -3.420 251 2HB LEU 33 3HB LEU 33 -9.099 -7.167 -4.478 252 HG LEU 33 HG LEU 33 -6.317 -8.176 -5.227 253 1HD1 LEU 33 1HD1 LEU 33 -7.628 -9.613 -3.689 254 2HD1 LEU 33 2HD1 LEU 33 -8.954 -9.654 -4.869 255 3HD1 LEU 33 3HD1 LEU 33 -7.377 -10.367 -5.276 256 1HD2 LEU 33 1HD2 LEU 33 -7.408 -8.978 -7.320 257 2HD2 LEU 33 2HD2 LEU 33 -8.867 -8.058 -6.894 258 3HD2 LEU 33 3HD2 LEU 33 -7.335 -7.217 -7.233 259 H TYR 34 H TYR 34 -6.724 -4.913 -2.598 260 HA TYR 34 HA TYR 34 -8.482 -2.574 -2.427 261 1HB TYR 34 2HB TYR 34 -9.789 -4.488 -1.361 262 2HB TYR 34 3HB TYR 34 -8.427 -4.677 -0.240 263 HD1 TYR 34 HD1 TYR 34 -8.958 -3.970 1.897 264 HD2 TYR 34 HD2 TYR 34 -10.410 -1.699 -1.477 265 HE1 TYR 34 HE1 TYR 34 -9.824 -2.232 3.427 266 HE2 TYR 34 HE2 TYR 34 -11.107 0.112 0.048 267 HH TYR 34 HH TYR 34 -11.062 0.891 2.221 268 H CYS 35 H CYS 35 -7.793 -1.063 -0.884 269 HA CYS 35 HA CYS 35 -5.241 -1.486 0.539 270 1HB CYS 35 2HB CYS 35 -4.589 -0.329 -1.523 271 2HB CYS 35 3HB CYS 35 -5.935 0.817 -1.330 272 HG CYS 35 HG CYS 35 -3.896 2.138 -0.653 273 H SER 36 H SER 36 -5.423 -0.666 2.574 274 HA SER 36 HA SER 36 -7.421 1.486 3.171 275 1HB SER 36 2HB SER 36 -8.479 -0.425 4.066 276 2HB SER 36 3HB SER 36 -6.953 -1.139 4.620 277 HG SER 36 HG SER 36 -6.795 0.590 6.107 278 H VAL 37 H VAL 37 -5.601 2.843 2.785 279 HA VAL 37 HA VAL 37 -3.325 2.793 4.620 280 HB VAL 37 HB VAL 37 -3.102 5.215 3.630 281 1HG1 VAL 37 1HG1 VAL 37 -1.448 3.593 3.231 282 2HG1 VAL 37 2HG1 VAL 37 -2.481 2.695 2.087 283 3HG1 VAL 37 3HG1 VAL 37 -1.876 4.316 1.681 284 1HG2 VAL 37 1HG2 VAL 37 -5.366 5.119 2.488 285 2HG2 VAL 37 2HG2 VAL 37 -3.982 5.547 1.463 286 3HG2 VAL 37 3HG2 VAL 37 -4.669 3.923 1.370 287 H ALA 38 H ALA 38 -3.065 4.046 6.459 288 HA ALA 38 HA ALA 38 -4.777 6.345 6.917 289 1HB ALA 38 1HB ALA 38 -6.308 4.749 7.873 290 2HB ALA 38 2HB ALA 38 -4.977 3.916 8.697 291 3HB ALA 38 3HB ALA 38 -5.469 5.542 9.231 292 H LEU 39 H LEU 39 -3.999 7.638 8.611 293 HA LEU 39 HA LEU 39 -1.046 7.330 8.904 294 1HB LEU 39 2HB LEU 39 -0.944 9.792 8.811 295 2HB LEU 39 3HB LEU 39 -1.456 8.977 7.339 296 HG LEU 39 HG LEU 39 -3.781 9.640 7.688 297 1HD1 LEU 39 1HD1 LEU 39 -4.086 9.811 10.071 298 2HD1 LEU 39 2HD1 LEU 39 -2.743 10.974 10.227 299 3HD1 LEU 39 3HD1 LEU 39 -4.257 11.435 9.425 300 1HD2 LEU 39 1HD2 LEU 39 -1.846 11.974 7.982 301 2HD2 LEU 39 2HD2 LEU 39 -2.147 11.095 6.474 302 3HD2 LEU 39 3HD2 LEU 39 -3.458 12.015 7.235 303 H ALA 40 H ALA 40 -3.875 7.557 10.815 304 HA ALA 40 HA ALA 40 -2.681 8.791 13.136 305 1HB ALA 40 1HB ALA 40 -4.995 6.809 12.895 306 2HB ALA 40 2HB ALA 40 -4.565 7.745 14.342 307 3HB ALA 40 3HB ALA 40 -5.117 8.582 12.879 308 H THR 41 H THR 41 -3.252 5.387 12.148 309 HA THR 41 HA THR 41 -1.421 4.337 14.151 310 HB THR 41 HB THR 41 -2.459 2.859 11.766 311 HG1 THR 41 1HG THR 41 -3.845 3.771 14.030 312 1HG2 THR 41 1HG2 THR 41 -2.564 0.969 13.414 313 2HG2 THR 41 2HG2 THR 41 -0.930 1.621 13.230 314 3HG2 THR 41 3HG2 THR 41 -1.900 2.046 14.654 315 H ASN 42 H ASN 42 -1.250 5.372 10.800 316 HA ASN 42 HA ASN 42 0.355 5.349 9.203 317 1HB ASN 42 2HB ASN 42 2.416 4.431 11.267 318 2HB ASN 42 3HB ASN 42 2.706 5.106 9.665 319 1HD2 ASN 42 1HD2 ASN 42 1.298 7.258 9.328 320 2HD2 ASN 42 2HD2 ASN 42 0.991 8.207 10.766 321 H LYS 43 H LYS 43 -1.025 3.742 8.346 322 HA LYS 43 HA LYS 43 0.240 1.091 8.255 323 1HB LYS 43 2HB LYS 43 -1.888 -0.059 8.732 324 2HB LYS 43 3HB LYS 43 -1.254 0.830 10.115 325 1HG LYS 43 2HG LYS 43 -2.810 2.747 9.459 326 2HG LYS 43 3HG LYS 43 -3.533 1.689 8.239 327 1HD LYS 43 2HD LYS 43 -4.288 0.123 9.912 328 2HD LYS 43 3HD LYS 43 -3.312 0.916 11.160 329 1HE LYS 43 2HE LYS 43 -4.715 3.027 10.641 330 2HE LYS 43 3HE LYS 43 -5.852 1.918 9.851 331 1HZ LYS 43 1HZ LYS 43 -4.985 2.063 12.651 332 2HZ LYS 43 2HZ LYS 43 -6.512 2.240 12.083 333 3HZ LYS 43 3HZ LYS 43 -5.827 0.739 12.086 334 H ALA 44 H ALA 44 -0.491 -0.132 6.565 335 HA ALA 44 HA ALA 44 -2.679 0.733 4.843 336 1HB ALA 44 1HB ALA 44 -1.531 0.622 2.789 337 2HB ALA 44 2HB ALA 44 -0.553 1.687 3.811 338 3HB ALA 44 3HB ALA 44 -0.041 0.012 3.523 339 H HIS 45 H HIS 45 -3.934 -1.016 5.133 340 HA HIS 45 HA HIS 45 -2.725 -3.735 5.022 341 1HB HIS 45 2HB HIS 45 -4.465 -3.414 6.719 342 2HB HIS 45 3HB HIS 45 -5.588 -2.825 5.490 343 HD1 HIS 45 1HD HIS 45 -4.509 -5.996 7.118 344 HD2 HIS 45 2HD HIS 45 -6.114 -4.742 3.426 345 HE1 HIS 45 1HE HIS 45 -5.457 -8.077 5.981 346 H ILE 46 H ILE 46 -2.446 -4.452 2.990 347 HA ILE 46 HA ILE 46 -4.192 -3.498 0.791 348 HB ILE 46 HB ILE 46 -1.231 -4.198 0.820 349 1HG1 ILE 46 2HG1 ILE 46 -1.110 -2.250 -0.737 350 2HG1 ILE 46 3HG1 ILE 46 -2.843 -1.974 -0.525 351 1HG2 ILE 46 1HG2 ILE 46 -1.349 -4.274 -1.691 352 2HG2 ILE 46 2HG2 ILE 46 -2.097 -5.654 -0.904 353 3HG2 ILE 46 3HG2 ILE 46 -3.112 -4.349 -1.562 354 1HD1 ILE 46 1HD1 ILE 46 -2.500 -1.324 1.772 355 2HD1 ILE 46 2HD1 ILE 46 -0.821 -1.932 1.760 356 3HD1 ILE 46 3HD1 ILE 46 -1.271 -0.506 0.798 357 H LYS 47 H LYS 47 -5.039 -5.203 -0.446 358 HA LYS 47 HA LYS 47 -3.873 -7.837 0.034 359 1HB LYS 47 2HB LYS 47 -6.303 -8.749 -0.496 360 2HB LYS 47 3HB LYS 47 -5.653 -8.569 1.150 361 1HG LYS 47 2HG LYS 47 -6.888 -6.521 1.492 362 2HG LYS 47 3HG LYS 47 -7.309 -6.475 -0.235 363 1HD LYS 47 2HD LYS 47 -9.199 -7.221 1.167 364 2HD LYS 47 3HD LYS 47 -8.755 -8.417 -0.052 365 1HE LYS 47 2HE LYS 47 -7.671 -8.591 2.797 366 2HE LYS 47 3HE LYS 47 -9.293 -9.171 2.401 367 1HZ LYS 47 1HZ LYS 47 -7.732 -10.975 2.256 368 2HZ LYS 47 2HZ LYS 47 -8.299 -10.684 0.743 369 3HZ LYS 47 3HZ LYS 47 -6.836 -10.246 1.104 370 H TYR 48 H TYR 48 -3.662 -9.059 -1.767 371 HA TYR 48 HA TYR 48 -4.251 -7.828 -4.372 372 1HB TYR 48 2HB TYR 48 -1.941 -7.416 -4.860 373 2HB TYR 48 3HB TYR 48 -2.296 -6.574 -3.360 374 HD1 TYR 48 HD1 TYR 48 -1.682 -7.920 -1.114 375 HD2 TYR 48 HD2 TYR 48 -0.067 -8.825 -5.006 376 HE1 TYR 48 HE1 TYR 48 0.056 -9.319 -0.079 377 HE2 TYR 48 HE2 TYR 48 1.857 -9.945 -3.936 378 HH TYR 48 HH TYR 48 1.912 -10.637 -0.436 379 H ASP 49 H ASP 49 -3.581 -9.208 -6.136 380 HA ASP 49 HA ASP 49 -3.466 -12.076 -5.368 381 1HB ASP 49 2HB ASP 49 -4.046 -10.574 -7.914 382 2HB ASP 49 3HB ASP 49 -3.427 -12.232 -8.001 383 HA PRO 50 HA PRO 50 0.949 -11.309 -5.538 384 1HB PRO 50 2HB PRO 50 1.880 -13.529 -4.294 385 2HB PRO 50 3HB PRO 50 0.830 -12.372 -3.438 386 1HG PRO 50 2HG PRO 50 -0.060 -14.904 -4.858 387 2HG PRO 50 3HG PRO 50 -0.369 -14.450 -3.153 388 1HD PRO 50 2HD PRO 50 -2.181 -13.913 -5.105 389 2HD PRO 50 3HD PRO 50 -1.873 -12.751 -3.783 390 H GLU 51 H GLU 51 0.057 -11.744 -7.966 391 HA GLU 51 HA GLU 51 2.006 -13.548 -9.276 392 1HB GLU 51 2HB GLU 51 -1.007 -13.597 -9.875 393 2HB GLU 51 3HB GLU 51 0.255 -14.459 -10.760 394 1HG GLU 51 2HG GLU 51 0.727 -15.822 -8.750 395 2HG GLU 51 3HG GLU 51 -0.507 -14.932 -7.842 396 H ILE 52 H ILE 52 -0.846 -11.524 -9.860 397 HA ILE 52 HA ILE 52 0.226 -10.203 -12.172 398 HB ILE 52 HB ILE 52 -2.112 -10.696 -11.955 399 1HG1 ILE 52 2HG1 ILE 52 -1.819 -7.665 -11.863 400 2HG1 ILE 52 3HG1 ILE 52 -1.309 -8.668 -13.234 401 1HG2 ILE 52 1HG2 ILE 52 -2.411 -10.541 -9.524 402 2HG2 ILE 52 2HG2 ILE 52 -2.174 -8.790 -9.579 403 3HG2 ILE 52 3HG2 ILE 52 -3.590 -9.552 -10.347 404 1HD1 ILE 52 1HD1 ILE 52 -3.507 -7.803 -13.695 405 2HD1 ILE 52 2HD1 ILE 52 -3.639 -9.554 -13.425 406 3HD1 ILE 52 3HD1 ILE 52 -4.147 -8.410 -12.161 407 H ILE 53 H ILE 53 0.431 -9.482 -8.695 408 HA ILE 53 HA ILE 53 2.229 -7.341 -9.390 409 HB ILE 53 HB ILE 53 -0.151 -6.338 -9.067 410 1HG1 ILE 53 2HG1 ILE 53 1.960 -5.262 -7.191 411 2HG1 ILE 53 3HG1 ILE 53 2.095 -5.124 -8.960 412 1HG2 ILE 53 1HG2 ILE 53 -0.907 -5.956 -6.784 413 2HG2 ILE 53 2HG2 ILE 53 -0.702 -7.699 -7.007 414 3HG2 ILE 53 3HG2 ILE 53 0.517 -6.741 -6.110 415 1HD1 ILE 53 1HD1 ILE 53 -0.141 -3.975 -8.974 416 2HD1 ILE 53 2HD1 ILE 53 -0.068 -3.914 -7.197 417 3HD1 ILE 53 3HD1 ILE 53 1.158 -3.074 -8.159 418 H GLY 54 H GLY 54 3.860 -7.243 -7.867 419 1HA GLY 54 2HA GLY 54 3.832 -9.304 -5.711 420 2HA GLY 54 1HA GLY 54 5.242 -8.483 -6.404 421 HA PRO 55 HA PRO 55 3.624 -6.247 -2.444 422 1HB PRO 55 2HB PRO 55 5.667 -6.955 -0.749 423 2HB PRO 55 3HB PRO 55 4.129 -7.847 -0.902 424 1HG PRO 55 2HG PRO 55 6.762 -8.504 -2.234 425 2HG PRO 55 3HG PRO 55 5.660 -9.606 -1.362 426 1HD PRO 55 2HD PRO 55 5.621 -9.431 -4.067 427 2HD PRO 55 3HD PRO 55 4.103 -9.612 -3.147 428 H ARG 56 H ARG 56 6.862 -6.947 -3.822 429 HA ARG 56 HA ARG 56 8.047 -4.525 -3.118 430 1HB ARG 56 2HB ARG 56 9.287 -6.506 -4.035 431 2HB ARG 56 3HB ARG 56 8.593 -6.163 -5.628 432 1HG ARG 56 2HG ARG 56 10.834 -5.294 -5.589 433 2HG ARG 56 3HG ARG 56 9.741 -3.923 -5.611 434 1HD ARG 56 2HD ARG 56 10.065 -4.007 -2.934 435 2HD ARG 56 3HD ARG 56 11.425 -5.031 -3.339 436 HE ARG 56 HE ARG 56 12.591 -3.173 -4.004 437 1HH1 ARG 56 2HH2 ARG 56 9.125 -2.181 -4.234 438 2HH1 ARG 56 1HH2 ARG 56 9.551 -0.539 -3.742 439 1HH2 ARG 56 2HH1 ARG 56 12.963 -0.899 -3.418 440 2HH2 ARG 56 1HH1 ARG 56 11.572 0.148 -3.313 441 H ASP 57 H ASP 57 5.819 -5.205 -5.803 442 HA ASP 57 HA ASP 57 6.404 -2.793 -7.274 443 1HB ASP 57 2HB ASP 57 3.943 -4.544 -7.330 444 2HB ASP 57 3HB ASP 57 4.415 -3.370 -8.564 445 H ILE 58 H ILE 58 3.795 -3.835 -5.045 446 HA ILE 58 HA ILE 58 2.327 -1.406 -4.848 447 HB ILE 58 HB ILE 58 2.993 -3.571 -2.822 448 1HG1 ILE 58 2HG1 ILE 58 0.211 -3.046 -3.767 449 2HG1 ILE 58 3HG1 ILE 58 1.319 -3.734 -4.968 450 1HG2 ILE 58 1HG2 ILE 58 2.553 -1.597 -1.465 451 2HG2 ILE 58 2HG2 ILE 58 1.111 -1.212 -2.427 452 3HG2 ILE 58 3HG2 ILE 58 1.155 -2.663 -1.404 453 1HD1 ILE 58 1HD1 ILE 58 0.935 -4.887 -2.186 454 2HD1 ILE 58 2HD1 ILE 58 0.037 -5.423 -3.630 455 3HD1 ILE 58 3HD1 ILE 58 1.799 -5.606 -3.566 456 H ILE 59 H ILE 59 5.099 -2.559 -2.872 457 HA ILE 59 HA ILE 59 5.470 -0.176 -1.421 458 HB ILE 59 HB ILE 59 7.397 -2.370 -2.199 459 1HG1 ILE 59 2HG1 ILE 59 6.085 -1.839 0.506 460 2HG1 ILE 59 3HG1 ILE 59 5.248 -2.788 -0.718 461 1HG2 ILE 59 1HG2 ILE 59 8.762 -1.528 -0.260 462 2HG2 ILE 59 2HG2 ILE 59 8.698 -0.406 -1.612 463 3HG2 ILE 59 3HG2 ILE 59 7.692 -0.108 -0.187 464 1HD1 ILE 59 1HD1 ILE 59 7.946 -3.472 0.482 465 2HD1 ILE 59 2HD1 ILE 59 6.399 -4.311 0.712 466 3HD1 ILE 59 3HD1 ILE 59 7.182 -4.320 -0.882 467 H HIS 60 H HIS 60 6.841 -1.157 -4.599 468 HA HIS 60 HA HIS 60 8.487 1.104 -5.029 469 1HB HIS 60 2HB HIS 60 8.465 -1.012 -6.392 470 2HB HIS 60 3HB HIS 60 7.005 -0.411 -7.188 471 HD1 HIS 60 1HD HIS 60 7.382 1.921 -8.650 472 HD2 HIS 60 2HD HIS 60 10.784 -0.001 -7.089 473 HE1 HIS 60 1HE HIS 60 9.404 2.927 -9.845 474 H THR 61 H THR 61 4.968 0.681 -5.553 475 HA THR 61 HA THR 61 4.835 3.262 -6.903 476 HB THR 61 HB THR 61 3.116 1.188 -6.849 477 HG1 THR 61 1HG THR 61 1.867 2.554 -8.068 478 1HG2 THR 61 1HG2 THR 61 1.731 3.363 -5.209 479 2HG2 THR 61 2HG2 THR 61 0.994 1.924 -5.926 480 3HG2 THR 61 3HG2 THR 61 2.154 1.743 -4.608 481 H ILE 62 H ILE 62 4.295 2.143 -3.587 482 HA ILE 62 HA ILE 62 3.615 4.592 -2.337 483 HB ILE 62 HB ILE 62 4.668 1.924 -1.561 484 1HG1 ILE 62 2HG1 ILE 62 2.914 1.986 0.082 485 2HG1 ILE 62 3HG1 ILE 62 2.600 3.701 -0.247 486 1HG2 ILE 62 1HG2 ILE 62 5.094 4.267 0.286 487 2HG2 ILE 62 2HG2 ILE 62 5.063 2.580 0.792 488 3HG2 ILE 62 3HG2 ILE 62 6.319 3.119 -0.316 489 1HD1 ILE 62 1HD1 ILE 62 2.188 1.371 -2.164 490 2HD1 ILE 62 2HD1 ILE 62 0.936 2.227 -1.257 491 3HD1 ILE 62 3HD1 ILE 62 1.823 3.077 -2.532 492 H GLU 63 H GLU 63 6.903 3.217 -2.827 493 HA GLU 63 HA GLU 63 8.417 5.415 -1.885 494 1HB GLU 63 2HB GLU 63 8.967 3.329 -4.035 495 2HB GLU 63 3HB GLU 63 10.177 4.485 -3.470 496 1HG GLU 63 2HG GLU 63 10.201 3.560 -1.262 497 2HG GLU 63 3HG GLU 63 8.757 2.585 -1.568 498 H SER 64 H SER 64 7.425 4.614 -5.220 499 HA SER 64 HA SER 64 8.594 6.771 -6.528 500 1HB SER 64 2HB SER 64 7.637 4.756 -7.616 501 2HB SER 64 3HB SER 64 6.000 5.352 -7.272 502 HG SER 64 HG SER 64 7.946 6.771 -8.787 503 H LEU 65 H LEU 65 5.311 6.589 -5.062 504 HA LEU 65 HA LEU 65 4.576 9.286 -5.740 505 1HB LEU 65 2HB LEU 65 3.735 7.427 -3.486 506 2HB LEU 65 3HB LEU 65 3.016 9.023 -3.736 507 HG LEU 65 HG LEU 65 3.018 6.884 -5.899 508 1HD1 LEU 65 1HD1 LEU 65 0.879 7.529 -3.841 509 2HD1 LEU 65 2HD1 LEU 65 0.738 6.359 -5.175 510 3HD1 LEU 65 3HD1 LEU 65 1.877 6.055 -3.859 511 1HD2 LEU 65 1HD2 LEU 65 2.592 9.142 -6.760 512 2HD2 LEU 65 2HD2 LEU 65 1.095 8.208 -6.759 513 3HD2 LEU 65 3HD2 LEU 65 1.377 9.421 -5.497 514 H GLY 66 H GLY 66 5.719 7.983 -2.576 515 1HA GLY 66 2HA GLY 66 7.401 10.332 -2.209 516 2HA GLY 66 1HA GLY 66 5.928 10.442 -1.250 517 H PHE 67 H PHE 67 6.345 7.211 -0.914 518 HA PHE 67 HA PHE 67 7.178 8.125 1.800 519 1HB PHE 67 2HB PHE 67 4.939 6.261 1.058 520 2HB PHE 67 3HB PHE 67 5.159 7.166 2.540 521 HD1 PHE 67 1HD PHE 67 5.477 9.885 1.948 522 HD2 PHE 67 2HD PHE 67 3.455 7.055 -0.580 523 HE1 PHE 67 1HE PHE 67 3.982 11.688 1.146 524 HE2 PHE 67 2HE PHE 67 2.008 8.869 -1.443 525 HZ PHE 67 HZ PHE 67 2.157 11.144 -0.447 526 H GLU 68 H GLU 68 7.773 6.440 3.350 527 HA GLU 68 HA GLU 68 9.127 4.113 2.089 528 1HB GLU 68 2HB GLU 68 10.240 5.586 3.883 529 2HB GLU 68 3HB GLU 68 9.029 4.946 4.990 530 1HG GLU 68 2HG GLU 68 9.998 2.590 4.067 531 2HG GLU 68 3HG GLU 68 11.406 3.610 3.775 532 H ALA 69 H ALA 69 8.510 1.987 2.769 533 HA ALA 69 HA ALA 69 6.091 1.716 4.464 534 1HB ALA 69 1HB ALA 69 6.791 0.061 2.025 535 2HB ALA 69 2HB ALA 69 5.650 -0.403 3.304 536 3HB ALA 69 3HB ALA 69 5.313 1.024 2.309 537 H SER 70 H SER 70 6.552 0.629 6.234 538 HA SER 70 HA SER 70 8.885 -1.262 6.316 539 1HB SER 70 2HB SER 70 7.481 -0.212 8.774 540 2HB SER 70 3HB SER 70 9.115 -0.851 8.589 541 HG SER 70 HG SER 70 9.372 1.214 7.203 542 H LEU 71 H LEU 71 7.940 -3.247 5.685 543 HA LEU 71 HA LEU 71 5.261 -4.026 6.175 544 1HB LEU 71 2HB LEU 71 5.875 -6.216 5.647 545 2HB LEU 71 3HB LEU 71 6.778 -5.141 4.582 546 HG LEU 71 HG LEU 71 7.886 -6.643 7.010 547 1HD1 LEU 71 1HD1 LEU 71 7.331 -8.090 5.132 548 2HD1 LEU 71 2HD1 LEU 71 8.270 -7.064 4.026 549 3HD1 LEU 71 3HD1 LEU 71 9.084 -7.964 5.324 550 1HD2 LEU 71 1HD2 LEU 71 10.126 -5.965 6.098 551 2HD2 LEU 71 2HD2 LEU 71 9.310 -4.847 4.989 552 3HD2 LEU 71 3HD2 LEU 71 9.218 -4.610 6.755 553 H VAL 72 H VAL 72 4.141 -4.613 7.968 554 HA VAL 72 HA VAL 72 5.696 -4.885 10.497 555 HB VAL 72 HB VAL 72 3.543 -4.876 11.631 556 1HG1 VAL 72 1HG1 VAL 72 4.087 -2.475 9.833 557 2HG1 VAL 72 2HG1 VAL 72 3.162 -2.460 11.348 558 3HG1 VAL 72 3HG1 VAL 72 4.894 -2.835 11.373 559 1HG2 VAL 72 1HG2 VAL 72 2.252 -3.899 9.077 560 2HG2 VAL 72 2HG2 VAL 72 2.108 -5.592 9.614 561 3HG2 VAL 72 3HG2 VAL 72 1.496 -4.273 10.624 562 H LYS 73 H LYS 73 3.744 -6.846 8.239 563 HA LYS 73 HA LYS 73 5.147 -9.163 9.048 564 1HB LYS 73 2HB LYS 73 3.228 -10.531 9.830 565 2HB LYS 73 3HB LYS 73 3.649 -9.263 10.970 566 1HG LYS 73 2HG LYS 73 1.770 -7.901 10.299 567 2HG LYS 73 3HG LYS 73 1.424 -8.959 8.913 568 1HD LYS 73 2HD LYS 73 0.885 -10.824 10.401 569 2HD LYS 73 3HD LYS 73 1.360 -9.874 11.825 570 1HE LYS 73 2HE LYS 73 -1.075 -9.864 11.666 571 2HE LYS 73 3HE LYS 73 -0.465 -8.236 11.318 572 1HZ LYS 73 1HZ LYS 73 -1.888 -10.042 9.602 573 2HZ LYS 73 2HZ LYS 73 -1.638 -8.379 9.474 574 3HZ LYS 73 3HZ LYS 73 -0.577 -9.542 8.902 575 H ILE 74 H ILE 74 3.947 -11.153 7.949 576 HA ILE 74 HA ILE 74 2.631 -10.458 5.409 577 HB ILE 74 HB ILE 74 4.975 -12.385 5.830 578 1HG1 ILE 74 2HG1 ILE 74 5.799 -10.061 5.705 579 2HG1 ILE 74 3HG1 ILE 74 6.337 -11.076 4.374 580 1HG2 ILE 74 1HG2 ILE 74 4.840 -12.690 3.326 581 2HG2 ILE 74 2HG2 ILE 74 3.502 -13.381 4.244 582 3HG2 ILE 74 3HG2 ILE 74 3.269 -11.855 3.374 583 1HD1 ILE 74 1HD1 ILE 74 4.048 -9.079 4.202 584 2HD1 ILE 74 2HD1 ILE 74 5.692 -8.826 3.596 585 3HD1 ILE 74 3HD1 ILE 74 4.680 -10.079 2.869 586 H GLU 75 H GLU 75 1.150 -12.199 4.842 587 HA GLU 75 HA GLU 75 1.185 -14.666 6.317 588 1HB GLU 75 2HB GLU 75 -1.356 -12.983 6.047 589 2HB GLU 75 3HB GLU 75 -1.257 -14.669 6.543 590 1HG GLU 75 2HG GLU 75 -1.278 -13.883 8.644 591 2HG GLU 75 3HG GLU 75 0.421 -13.494 8.403 Start of MODEL 30 1 1H MET 1 H1 MET 1 -3.181 -14.397 -4.456 2 2H MET 1 H2 MET 1 -3.239 -14.711 -6.102 3 3H MET 1 H3 MET 1 -4.594 -14.701 -5.211 4 HA MET 1 HA MET 1 -4.120 -16.940 -5.558 5 1HB MET 1 2HB MET 1 -1.823 -16.720 -6.243 6 2HB MET 1 3HB MET 1 -1.315 -16.178 -4.636 7 1HG MET 1 2HG MET 1 -0.762 -18.565 -5.180 8 2HG MET 1 3HG MET 1 -1.674 -18.342 -3.687 9 1HE MET 1 1HE MET 1 -2.294 -20.832 -3.451 10 2HE MET 1 2HE MET 1 -2.946 -21.823 -4.779 11 3HE MET 1 3HE MET 1 -1.294 -21.168 -4.889 12 H GLY 2 H GLY 2 -5.756 -17.197 -3.974 13 1HA GLY 2 2HA GLY 2 -6.793 -17.105 -1.912 14 2HA GLY 2 1HA GLY 2 -5.223 -17.480 -1.169 15 H ASP 3 H ASP 3 -6.615 -14.818 -3.081 16 HA ASP 3 HA ASP 3 -5.708 -12.846 -3.468 17 1HB ASP 3 2HB ASP 3 -6.085 -11.080 -1.854 18 2HB ASP 3 3HB ASP 3 -7.487 -12.095 -2.181 19 H GLY 4 H GLY 4 -4.422 -12.167 -0.367 20 1HA GLY 4 2HA GLY 4 -1.844 -12.670 -0.110 21 2HA GLY 4 1HA GLY 4 -1.793 -11.728 -1.621 22 H VAL 5 H VAL 5 -1.369 -11.271 1.560 23 HA VAL 5 HA VAL 5 -2.913 -8.712 1.801 24 HB VAL 5 HB VAL 5 -2.628 -9.165 4.279 25 1HG1 VAL 5 1HG1 VAL 5 -4.326 -11.081 2.641 26 2HG1 VAL 5 2HG1 VAL 5 -4.590 -10.634 4.344 27 3HG1 VAL 5 3HG1 VAL 5 -4.723 -9.401 3.077 28 1HG2 VAL 5 1HG2 VAL 5 -0.901 -11.026 4.119 29 2HG2 VAL 5 2HG2 VAL 5 -2.344 -11.440 5.048 30 3HG2 VAL 5 3HG2 VAL 5 -2.155 -12.056 3.402 31 H LEU 6 H LEU 6 -1.290 -7.404 0.767 32 HA LEU 6 HA LEU 6 1.357 -7.392 2.081 33 1HB LEU 6 2HB LEU 6 1.050 -7.090 -0.463 34 2HB LEU 6 3HB LEU 6 0.476 -5.477 -0.078 35 HG LEU 6 HG LEU 6 2.684 -5.194 1.248 36 1HD1 LEU 6 1HD1 LEU 6 3.278 -7.819 -0.186 37 2HD1 LEU 6 2HD1 LEU 6 4.543 -6.722 0.396 38 3HD1 LEU 6 3HD1 LEU 6 3.447 -7.483 1.547 39 1HD2 LEU 6 1HD2 LEU 6 2.341 -4.192 -0.927 40 2HD2 LEU 6 2HD2 LEU 6 3.997 -4.814 -0.855 41 3HD2 LEU 6 3HD2 LEU 6 2.749 -5.713 -1.744 42 H GLU 7 H GLU 7 0.462 -6.952 4.120 43 HA GLU 7 HA GLU 7 -0.418 -4.137 4.571 44 1HB GLU 7 2HB GLU 7 -1.600 -6.106 5.653 45 2HB GLU 7 3HB GLU 7 -0.148 -6.274 6.656 46 1HG GLU 7 2HG GLU 7 -0.388 -3.837 7.269 47 2HG GLU 7 3HG GLU 7 -1.865 -3.762 6.315 48 H LEU 8 H LEU 8 1.174 -2.800 4.390 49 HA LEU 8 HA LEU 8 3.732 -3.333 5.831 50 1HB LEU 8 2HB LEU 8 4.713 -1.844 3.918 51 2HB LEU 8 3HB LEU 8 4.506 -3.579 3.736 52 HG LEU 8 HG LEU 8 2.403 -3.212 2.435 53 1HD1 LEU 8 1HD1 LEU 8 1.875 -0.920 3.200 54 2HD1 LEU 8 2HD1 LEU 8 3.376 -0.332 2.449 55 3HD1 LEU 8 3HD1 LEU 8 2.059 -0.986 1.445 56 1HD2 LEU 8 1HD2 LEU 8 3.614 -2.555 0.398 57 2HD2 LEU 8 2HD2 LEU 8 4.957 -1.945 1.374 58 3HD2 LEU 8 3HD2 LEU 8 4.586 -3.676 1.372 59 H VAL 9 H VAL 9 4.764 -1.507 6.721 60 HA VAL 9 HA VAL 9 3.024 0.728 7.397 61 HB VAL 9 HB VAL 9 5.590 -0.386 8.404 62 1HG1 VAL 9 1HG1 VAL 9 6.266 1.768 9.430 63 2HG1 VAL 9 2HG1 VAL 9 6.468 1.756 7.677 64 3HG1 VAL 9 3HG1 VAL 9 5.086 2.618 8.410 65 1HG2 VAL 9 1HG2 VAL 9 3.390 -0.493 9.620 66 2HG2 VAL 9 2HG2 VAL 9 4.650 0.349 10.540 67 3HG2 VAL 9 3HG2 VAL 9 3.389 1.283 9.716 68 H VAL 10 H VAL 10 3.097 2.593 6.253 69 HA VAL 10 HA VAL 10 5.136 3.011 4.126 70 HB VAL 10 HB VAL 10 2.203 3.840 4.324 71 1HG1 VAL 10 1HG1 VAL 10 4.397 4.547 2.351 72 2HG1 VAL 10 2HG1 VAL 10 2.664 4.811 2.035 73 3HG1 VAL 10 3HG1 VAL 10 3.461 5.667 3.364 74 1HG2 VAL 10 1HG2 VAL 10 3.704 1.984 2.455 75 2HG2 VAL 10 2HG2 VAL 10 2.438 1.535 3.621 76 3HG2 VAL 10 3HG2 VAL 10 2.025 2.519 2.207 77 H ARG 11 H ARG 11 6.610 4.221 5.277 78 HA ARG 11 HA ARG 11 5.618 6.156 7.288 79 1HB ARG 11 2HB ARG 11 7.768 6.316 8.098 80 2HB ARG 11 3HB ARG 11 7.579 4.617 7.691 81 1HG ARG 11 2HG ARG 11 8.681 5.320 5.426 82 2HG ARG 11 3HG ARG 11 9.177 6.781 6.279 83 1HD ARG 11 2HD ARG 11 11.020 5.352 6.563 84 2HD ARG 11 3HD ARG 11 10.165 5.218 8.084 85 HE ARG 11 HE ARG 11 9.234 3.095 7.400 86 1HH1 ARG 11 2HH2 ARG 11 11.925 4.170 5.221 87 2HH1 ARG 11 1HH2 ARG 11 12.142 2.572 4.610 88 1HH2 ARG 11 2HH1 ARG 11 9.502 1.064 6.413 89 2HH2 ARG 11 1HH1 ARG 11 10.479 0.943 4.994 90 H GLY 12 H GLY 12 5.911 8.382 7.049 91 1HA GLY 12 2HA GLY 12 6.512 10.348 5.852 92 2HA GLY 12 1HA GLY 12 6.578 9.450 4.338 93 H MET 13 H MET 13 3.856 8.138 5.656 94 HA MET 13 HA MET 13 1.987 9.591 4.178 95 1HB MET 13 2HB MET 13 2.016 7.165 4.914 96 2HB MET 13 3HB MET 13 1.597 7.699 6.552 97 1HG MET 13 2HG MET 13 -0.380 8.919 5.405 98 2HG MET 13 3HG MET 13 0.068 7.980 3.981 99 1HE MET 13 1HE MET 13 0.148 5.281 4.072 100 2HE MET 13 2HE MET 13 0.936 5.235 5.674 101 3HE MET 13 3HE MET 13 -0.555 4.308 5.392 102 H THR 14 H THR 14 2.684 11.775 5.068 103 HA THR 14 HA THR 14 2.316 12.356 7.802 104 HB THR 14 HB THR 14 3.895 13.481 6.319 105 HG1 THR 14 1HG THR 14 3.593 15.518 7.276 106 1HG2 THR 14 1HG2 THR 14 3.198 15.434 4.984 107 2HG2 THR 14 2HG2 THR 14 2.533 13.935 4.336 108 3HG2 THR 14 3HG2 THR 14 1.494 15.040 5.264 109 H CYS 15 H CYS 15 -0.103 12.588 5.177 110 HA CYS 15 HA CYS 15 -2.085 13.534 7.149 111 1HB CYS 15 2HB CYS 15 -2.577 15.590 6.030 112 2HB CYS 15 3HB CYS 15 -0.858 15.561 6.390 113 H ALA 16 H ALA 16 -4.191 14.030 5.999 114 HA ALA 16 HA ALA 16 -5.301 11.772 4.830 115 1HB ALA 16 1HB ALA 16 -7.176 13.244 4.204 116 2HB ALA 16 2HB ALA 16 -6.610 13.572 5.853 117 3HB ALA 16 3HB ALA 16 -6.172 14.674 4.527 118 H SER 17 H SER 17 -3.856 14.655 3.253 119 HA SER 17 HA SER 17 -4.508 13.967 0.602 120 1HB SER 17 2HB SER 17 -2.139 15.628 1.473 121 2HB SER 17 3HB SER 17 -3.044 15.699 -0.046 122 HG SER 17 HG SER 17 -4.908 16.265 1.246 123 H CYS 18 H CYS 18 -2.012 12.660 2.745 124 HA CYS 18 HA CYS 18 -0.618 11.271 0.546 125 1HB CYS 18 2HB CYS 18 -0.428 10.842 3.535 126 2HB CYS 18 3HB CYS 18 0.518 10.065 2.270 127 H VAL 19 H VAL 19 -2.667 10.352 3.327 128 HA VAL 19 HA VAL 19 -3.138 7.742 2.905 129 HB VAL 19 HB VAL 19 -5.120 9.885 3.718 130 1HG1 VAL 19 1HG1 VAL 19 -6.524 8.253 4.783 131 2HG1 VAL 19 2HG1 VAL 19 -6.469 7.916 3.056 132 3HG1 VAL 19 3HG1 VAL 19 -5.535 6.923 4.189 133 1HG2 VAL 19 1HG2 VAL 19 -3.605 7.876 5.421 134 2HG2 VAL 19 2HG2 VAL 19 -3.081 9.552 5.174 135 3HG2 VAL 19 3HG2 VAL 19 -4.615 9.218 5.988 136 H HIS 20 H HIS 20 -5.388 10.191 1.494 137 HA HIS 20 HA HIS 20 -6.701 8.135 -0.006 138 1HB HIS 20 2HB HIS 20 -8.179 9.689 -0.764 139 2HB HIS 20 3HB HIS 20 -7.709 10.329 0.808 140 HD1 HIS 20 1HD HIS 20 -8.836 11.897 -1.947 141 HD2 HIS 20 2HD HIS 20 -4.991 11.869 -0.258 142 HE1 HIS 20 1HE HIS 20 -7.659 14.009 -2.768 143 H LYS 21 H LYS 21 -3.860 10.040 -0.723 144 HA LYS 21 HA LYS 21 -4.097 9.869 -3.626 145 1HB LYS 21 2HB LYS 21 -2.861 11.691 -2.654 146 2HB LYS 21 3HB LYS 21 -1.785 10.572 -1.783 147 1HG LYS 21 2HG LYS 21 -0.832 9.767 -3.880 148 2HG LYS 21 3HG LYS 21 -2.010 10.692 -4.810 149 1HD LYS 21 2HD LYS 21 0.176 11.754 -4.810 150 2HD LYS 21 3HD LYS 21 -1.027 12.811 -4.083 151 1HE LYS 21 2HE LYS 21 0.668 10.995 -2.312 152 2HE LYS 21 3HE LYS 21 1.392 12.455 -2.994 153 1HZ LYS 21 1HZ LYS 21 0.455 12.823 -0.801 154 2HZ LYS 21 2HZ LYS 21 -0.242 13.782 -1.933 155 3HZ LYS 21 3HZ LYS 21 -1.057 12.498 -1.338 156 H ILE 22 H ILE 22 -2.138 8.283 -1.062 157 HA ILE 22 HA ILE 22 -0.844 6.326 -2.652 158 HB ILE 22 HB ILE 22 -1.856 6.213 0.225 159 1HG1 ILE 22 2HG1 ILE 22 1.006 6.598 -0.689 160 2HG1 ILE 22 3HG1 ILE 22 -0.085 7.980 -0.511 161 1HG2 ILE 22 1HG2 ILE 22 -1.491 3.925 -0.527 162 2HG2 ILE 22 2HG2 ILE 22 0.070 4.362 -1.252 163 3HG2 ILE 22 3HG2 ILE 22 -0.147 4.371 0.508 164 1HD1 ILE 22 1HD1 ILE 22 -0.536 7.389 1.826 165 2HD1 ILE 22 2HD1 ILE 22 0.625 6.050 1.726 166 3HD1 ILE 22 3HD1 ILE 22 1.184 7.716 1.535 167 H GLU 23 H GLU 23 -3.853 6.065 -0.736 168 HA GLU 23 HA GLU 23 -4.544 3.483 -1.491 169 1HB GLU 23 2HB GLU 23 -5.412 5.044 0.366 170 2HB GLU 23 3HB GLU 23 -6.559 5.679 -0.816 171 1HG GLU 23 2HG GLU 23 -7.550 3.431 -1.031 172 2HG GLU 23 3HG GLU 23 -6.260 2.756 -0.010 173 H SER 24 H SER 24 -5.819 6.571 -2.880 174 HA SER 24 HA SER 24 -7.384 5.266 -4.857 175 1HB SER 24 2HB SER 24 -7.781 7.592 -4.061 176 2HB SER 24 3HB SER 24 -6.325 8.111 -4.939 177 HG SER 24 HG SER 24 -7.425 7.022 -6.810 178 H SER 25 H SER 25 -3.926 6.121 -4.848 179 HA SER 25 HA SER 25 -3.669 6.083 -7.763 180 1HB SER 25 2HB SER 25 -1.563 5.886 -5.564 181 2HB SER 25 3HB SER 25 -1.244 6.010 -7.306 182 HG SER 25 HG SER 25 -2.633 7.876 -5.689 183 H LEU 26 H LEU 26 -2.913 3.889 -5.006 184 HA LEU 26 HA LEU 26 -2.138 1.659 -6.566 185 1HB LEU 26 2HB LEU 26 -3.452 1.995 -3.850 186 2HB LEU 26 3HB LEU 26 -3.135 0.395 -4.525 187 HG LEU 26 HG LEU 26 -0.938 2.414 -4.476 188 1HD1 LEU 26 1HD1 LEU 26 -0.254 1.533 -2.242 189 2HD1 LEU 26 2HD1 LEU 26 -1.788 2.432 -2.227 190 3HD1 LEU 26 3HD1 LEU 26 -1.811 0.665 -2.167 191 1HD2 LEU 26 1HD2 LEU 26 -0.959 -0.622 -4.277 192 2HD2 LEU 26 2HD2 LEU 26 -0.629 0.303 -5.756 193 3HD2 LEU 26 3HD2 LEU 26 0.480 0.416 -4.382 194 H THR 27 H THR 27 -5.408 2.634 -5.446 195 HA THR 27 HA THR 27 -6.775 0.443 -6.483 196 HB THR 27 HB THR 27 -7.818 3.263 -6.155 197 HG1 THR 27 1HG THR 27 -7.001 2.603 -4.234 198 1HG2 THR 27 1HG2 THR 27 -9.229 0.558 -6.204 199 2HG2 THR 27 2HG2 THR 27 -9.951 2.063 -5.603 200 3HG2 THR 27 3HG2 THR 27 -9.514 1.925 -7.309 201 H LYS 28 H LYS 28 -5.052 2.641 -8.477 202 HA LYS 28 HA LYS 28 -6.809 2.389 -10.812 203 1HB LYS 28 2HB LYS 28 -3.872 3.094 -10.741 204 2HB LYS 28 3HB LYS 28 -5.025 3.511 -11.999 205 1HG LYS 28 2HG LYS 28 -5.251 4.622 -9.162 206 2HG LYS 28 3HG LYS 28 -4.142 5.285 -10.318 207 1HD LYS 28 2HD LYS 28 -6.125 6.606 -10.281 208 2HD LYS 28 3HD LYS 28 -6.038 5.805 -11.860 209 1HE LYS 28 2HE LYS 28 -7.789 4.259 -11.276 210 2HE LYS 28 3HE LYS 28 -7.655 4.634 -9.544 211 1HZ LYS 28 1HZ LYS 28 -8.657 6.459 -11.628 212 2HZ LYS 28 2HZ LYS 28 -9.575 5.621 -10.551 213 3HZ LYS 28 3HZ LYS 28 -8.561 6.796 -10.015 214 H HIS 29 H HIS 29 -4.270 0.505 -9.287 215 HA HIS 29 HA HIS 29 -3.407 -0.840 -11.724 216 1HB HIS 29 2HB HIS 29 -2.856 -1.385 -8.776 217 2HB HIS 29 3HB HIS 29 -2.098 -2.236 -10.118 218 HD1 HIS 29 1HD HIS 29 0.345 -1.402 -10.098 219 HD2 HIS 29 2HD HIS 29 -2.480 1.637 -9.402 220 HE1 HIS 29 1HE HIS 29 1.636 0.780 -9.870 221 H ARG 30 H ARG 30 -3.568 -3.252 -11.940 222 HA ARG 30 HA ARG 30 -6.343 -4.048 -11.307 223 1HB ARG 30 2HB ARG 30 -4.884 -4.103 -13.649 224 2HB ARG 30 3HB ARG 30 -4.791 -5.787 -13.154 225 1HG ARG 30 2HG ARG 30 -7.435 -4.247 -13.281 226 2HG ARG 30 3HG ARG 30 -6.691 -4.939 -14.713 227 1HD ARG 30 2HD ARG 30 -8.422 -6.409 -13.857 228 2HD ARG 30 3HD ARG 30 -6.825 -7.190 -13.846 229 HE ARG 30 HE ARG 30 -7.190 -6.027 -11.305 230 1HH1 ARG 30 2HH2 ARG 30 -8.750 -8.619 -13.099 231 2HH1 ARG 30 1HH2 ARG 30 -8.877 -9.670 -11.718 232 1HH2 ARG 30 2HH1 ARG 30 -7.149 -7.333 -9.623 233 2HH2 ARG 30 1HH1 ARG 30 -8.017 -8.858 -9.577 234 H GLY 31 H GLY 31 -2.995 -5.342 -10.884 235 1HA GLY 31 2HA GLY 31 -3.935 -7.831 -9.795 236 2HA GLY 31 1HA GLY 31 -2.299 -7.199 -9.665 237 H ILE 32 H ILE 32 -3.889 -4.707 -8.403 238 HA ILE 32 HA ILE 32 -3.834 -5.667 -5.620 239 HB ILE 32 HB ILE 32 -4.341 -3.329 -5.018 240 1HG1 ILE 32 2HG1 ILE 32 -4.103 -1.632 -6.772 241 2HG1 ILE 32 3HG1 ILE 32 -4.439 -2.839 -8.008 242 1HG2 ILE 32 1HG2 ILE 32 -2.090 -3.523 -7.040 243 2HG2 ILE 32 2HG2 ILE 32 -2.223 -2.430 -5.653 244 3HG2 ILE 32 3HG2 ILE 32 -2.027 -4.168 -5.387 245 1HD1 ILE 32 1HD1 ILE 32 -6.389 -1.463 -7.457 246 2HD1 ILE 32 2HD1 ILE 32 -6.737 -3.122 -7.047 247 3HD1 ILE 32 3HD1 ILE 32 -6.314 -1.978 -5.755 248 H LEU 33 H LEU 33 -5.774 -5.468 -4.313 249 HA LEU 33 HA LEU 33 -8.320 -6.023 -5.817 250 1HB LEU 33 2HB LEU 33 -7.217 -7.431 -3.371 251 2HB LEU 33 3HB LEU 33 -8.754 -7.792 -4.163 252 HG LEU 33 HG LEU 33 -6.027 -8.071 -5.498 253 1HD1 LEU 33 1HD1 LEU 33 -6.180 -9.579 -3.597 254 2HD1 LEU 33 2HD1 LEU 33 -7.741 -10.203 -4.179 255 3HD1 LEU 33 3HD1 LEU 33 -6.255 -10.486 -5.116 256 1HD2 LEU 33 1HD2 LEU 33 -8.777 -9.129 -6.291 257 2HD2 LEU 33 2HD2 LEU 33 -7.887 -7.834 -7.118 258 3HD2 LEU 33 3HD2 LEU 33 -7.248 -9.483 -7.125 259 H TYR 34 H TYR 34 -6.814 -4.851 -2.742 260 HA TYR 34 HA TYR 34 -9.010 -2.969 -2.498 261 1HB TYR 34 2HB TYR 34 -9.737 -5.080 -1.195 262 2HB TYR 34 3HB TYR 34 -8.297 -4.832 -0.192 263 HD1 TYR 34 HD1 TYR 34 -8.776 -4.028 1.899 264 HD2 TYR 34 HD2 TYR 34 -11.101 -2.656 -1.457 265 HE1 TYR 34 HE1 TYR 34 -10.129 -2.630 3.419 266 HE2 TYR 34 HE2 TYR 34 -12.386 -1.153 0.057 267 HH TYR 34 HH TYR 34 -11.775 -1.012 3.574 268 H CYS 35 H CYS 35 -8.294 -1.163 -1.251 269 HA CYS 35 HA CYS 35 -5.456 -1.190 -0.317 270 1HB CYS 35 2HB CYS 35 -6.875 1.032 -1.864 271 2HB CYS 35 3HB CYS 35 -5.210 1.052 -1.255 272 HG CYS 35 HG CYS 35 -5.568 0.780 -3.917 273 H SER 36 H SER 36 -5.502 -0.652 1.846 274 HA SER 36 HA SER 36 -7.527 1.316 2.771 275 1HB SER 36 2HB SER 36 -8.463 -0.905 3.104 276 2HB SER 36 3HB SER 36 -7.066 -1.369 4.093 277 HG SER 36 HG SER 36 -8.819 0.816 4.625 278 H VAL 37 H VAL 37 -6.125 2.946 3.326 279 HA VAL 37 HA VAL 37 -3.782 2.197 5.003 280 HB VAL 37 HB VAL 37 -2.402 3.642 3.897 281 1HG1 VAL 37 1HG1 VAL 37 -4.323 3.168 1.591 282 2HG1 VAL 37 2HG1 VAL 37 -2.564 3.340 1.545 283 3HG1 VAL 37 3HG1 VAL 37 -3.300 1.879 2.251 284 1HG2 VAL 37 1HG2 VAL 37 -3.611 5.715 4.105 285 2HG2 VAL 37 2HG2 VAL 37 -3.125 5.495 2.419 286 3HG2 VAL 37 3HG2 VAL 37 -4.810 5.185 2.885 287 H ALA 38 H ALA 38 -3.130 3.505 6.726 288 HA ALA 38 HA ALA 38 -4.978 5.695 7.535 289 1HB ALA 38 1HB ALA 38 -4.666 3.099 9.074 290 2HB ALA 38 2HB ALA 38 -5.397 4.583 9.725 291 3HB ALA 38 3HB ALA 38 -6.154 3.746 8.350 292 H LEU 39 H LEU 39 -3.505 7.253 7.868 293 HA LEU 39 HA LEU 39 -0.897 6.920 8.841 294 1HB LEU 39 2HB LEU 39 -0.877 9.339 9.229 295 2HB LEU 39 3HB LEU 39 -1.430 8.836 7.640 296 HG LEU 39 HG LEU 39 -3.803 9.276 8.320 297 1HD1 LEU 39 1HD1 LEU 39 -2.476 10.340 10.855 298 2HD1 LEU 39 2HD1 LEU 39 -4.071 10.875 10.292 299 3HD1 LEU 39 3HD1 LEU 39 -3.834 9.194 10.735 300 1HD2 LEU 39 1HD2 LEU 39 -2.354 10.877 7.096 301 2HD2 LEU 39 2HD2 LEU 39 -3.559 11.693 8.111 302 3HD2 LEU 39 3HD2 LEU 39 -1.863 11.593 8.643 303 H ALA 40 H ALA 40 -3.798 6.718 10.678 304 HA ALA 40 HA ALA 40 -2.799 7.400 13.262 305 1HB ALA 40 1HB ALA 40 -4.614 5.944 14.077 306 2HB ALA 40 2HB ALA 40 -5.187 7.013 12.782 307 3HB ALA 40 3HB ALA 40 -4.853 5.299 12.440 308 H THR 41 H THR 41 -2.469 4.525 11.215 309 HA THR 41 HA THR 41 -0.618 3.273 13.214 310 HB THR 41 HB THR 41 -2.528 1.926 13.123 311 HG1 THR 41 1HG THR 41 -0.279 1.033 11.825 312 1HG2 THR 41 1HG2 THR 41 -3.723 2.754 11.211 313 2HG2 THR 41 2HG2 THR 41 -2.490 2.121 10.094 314 3HG2 THR 41 3HG2 THR 41 -3.500 1.016 11.055 315 H ASN 42 H ASN 42 -0.793 4.836 10.211 316 HA ASN 42 HA ASN 42 0.643 5.173 8.527 317 1HB ASN 42 2HB ASN 42 2.825 4.034 10.324 318 2HB ASN 42 3HB ASN 42 3.028 5.148 8.959 319 1HD2 ASN 42 1HD2 ASN 42 1.437 7.193 9.187 320 2HD2 ASN 42 2HD2 ASN 42 1.044 7.676 10.824 321 H LYS 43 H LYS 43 -0.849 2.782 8.554 322 HA LYS 43 HA LYS 43 0.937 0.807 7.267 323 1HB LYS 43 2HB LYS 43 0.316 -0.496 8.965 324 2HB LYS 43 3HB LYS 43 -1.112 0.426 9.370 325 1HG LYS 43 2HG LYS 43 -1.104 -1.344 6.918 326 2HG LYS 43 3HG LYS 43 -1.377 -1.992 8.520 327 1HD LYS 43 2HD LYS 43 -2.984 0.454 7.850 328 2HD LYS 43 3HD LYS 43 -3.422 -1.004 6.981 329 1HE LYS 43 2HE LYS 43 -3.033 -1.073 10.004 330 2HE LYS 43 3HE LYS 43 -4.515 -0.392 9.323 331 1HZ LYS 43 1HZ LYS 43 -4.972 -2.470 8.262 332 2HZ LYS 43 2HZ LYS 43 -3.590 -3.154 8.760 333 3HZ LYS 43 3HZ LYS 43 -4.717 -2.741 9.860 334 H ALA 44 H ALA 44 0.306 0.048 5.367 335 HA ALA 44 HA ALA 44 -2.301 0.890 4.224 336 1HB ALA 44 1HB ALA 44 -0.479 2.159 3.171 337 2HB ALA 44 2HB ALA 44 0.329 0.631 2.741 338 3HB ALA 44 3HB ALA 44 -1.256 1.007 2.047 339 H HIS 45 H HIS 45 -3.500 -0.839 4.204 340 HA HIS 45 HA HIS 45 -2.373 -3.574 3.950 341 1HB HIS 45 2HB HIS 45 -3.965 -2.946 5.827 342 2HB HIS 45 3HB HIS 45 -5.183 -2.637 4.591 343 HD1 HIS 45 1HD HIS 45 -4.046 -5.346 6.763 344 HD2 HIS 45 2HD HIS 45 -5.160 -4.906 2.748 345 HE1 HIS 45 1HE HIS 45 -4.618 -7.704 5.918 346 H ILE 46 H ILE 46 -1.892 -3.850 1.841 347 HA ILE 46 HA ILE 46 -4.010 -3.171 -0.133 348 HB ILE 46 HB ILE 46 -1.070 -3.740 -0.601 349 1HG1 ILE 46 2HG1 ILE 46 -1.141 -1.539 -1.739 350 2HG1 ILE 46 3HG1 ILE 46 -2.801 -1.283 -1.187 351 1HG2 ILE 46 1HG2 ILE 46 -2.467 -4.796 -2.328 352 2HG2 ILE 46 2HG2 ILE 46 -3.399 -3.305 -2.535 353 3HG2 ILE 46 3HG2 ILE 46 -1.689 -3.367 -3.000 354 1HD1 ILE 46 1HD1 ILE 46 -0.885 -0.140 0.080 355 2HD1 ILE 46 2HD1 ILE 46 -2.094 -0.992 1.053 356 3HD1 ILE 46 3HD1 ILE 46 -0.499 -1.741 0.749 357 H LYS 47 H LYS 47 -5.283 -4.839 -0.481 358 HA LYS 47 HA LYS 47 -4.399 -7.654 -0.110 359 1HB LYS 47 2HB LYS 47 -6.937 -6.253 -0.893 360 2HB LYS 47 3HB LYS 47 -6.735 -7.960 -1.242 361 1HG LYS 47 2HG LYS 47 -6.240 -7.018 1.592 362 2HG LYS 47 3HG LYS 47 -7.908 -7.157 1.004 363 1HD LYS 47 2HD LYS 47 -7.428 -9.482 0.178 364 2HD LYS 47 3HD LYS 47 -5.822 -9.381 0.909 365 1HE LYS 47 2HE LYS 47 -6.936 -9.133 3.156 366 2HE LYS 47 3HE LYS 47 -8.516 -9.244 2.368 367 1HZ LYS 47 1HZ LYS 47 -6.498 -11.367 2.038 368 2HZ LYS 47 2HZ LYS 47 -7.642 -11.421 3.255 369 3HZ LYS 47 3HZ LYS 47 -8.008 -11.456 1.636 370 H TYR 48 H TYR 48 -3.643 -8.787 -1.955 371 HA TYR 48 HA TYR 48 -3.900 -7.600 -4.644 372 1HB TYR 48 2HB TYR 48 -1.626 -7.305 -5.028 373 2HB TYR 48 3HB TYR 48 -1.928 -6.489 -3.508 374 HD1 TYR 48 HD1 TYR 48 0.363 -8.477 -5.161 375 HD2 TYR 48 HD2 TYR 48 -1.547 -8.151 -1.325 376 HE1 TYR 48 HE1 TYR 48 2.326 -9.531 -4.072 377 HE2 TYR 48 HE2 TYR 48 0.217 -9.583 -0.334 378 HH TYR 48 HH TYR 48 2.273 -10.557 -0.652 379 H ASP 49 H ASP 49 -2.990 -9.029 -6.282 380 HA ASP 49 HA ASP 49 -2.729 -11.861 -5.413 381 1HB ASP 49 2HB ASP 49 -4.371 -11.597 -7.168 382 2HB ASP 49 3HB ASP 49 -3.203 -10.698 -8.166 383 HA PRO 50 HA PRO 50 1.607 -10.785 -5.791 384 1HB PRO 50 2HB PRO 50 2.784 -13.175 -5.274 385 2HB PRO 50 3HB PRO 50 1.916 -12.231 -4.030 386 1HG PRO 50 2HG PRO 50 0.831 -14.518 -5.694 387 2HG PRO 50 3HG PRO 50 0.748 -14.329 -3.917 388 1HD PRO 50 2HD PRO 50 -1.297 -13.614 -5.543 389 2HD PRO 50 3HD PRO 50 -0.903 -12.625 -4.098 390 H GLU 51 H GLU 51 -0.029 -12.902 -8.062 391 HA GLU 51 HA GLU 51 2.418 -13.346 -9.660 392 1HB GLU 51 2HB GLU 51 -0.464 -14.232 -10.112 393 2HB GLU 51 3HB GLU 51 0.959 -14.716 -11.037 394 1HG GLU 51 2HG GLU 51 1.926 -15.781 -9.012 395 2HG GLU 51 3HG GLU 51 0.516 -15.275 -8.062 396 H ILE 52 H ILE 52 -0.770 -11.706 -9.713 397 HA ILE 52 HA ILE 52 -0.240 -10.404 -12.255 398 HB ILE 52 HB ILE 52 -2.265 -9.618 -10.144 399 1HG1 ILE 52 2HG1 ILE 52 -2.600 -11.424 -12.589 400 2HG1 ILE 52 3HG1 ILE 52 -2.534 -11.991 -10.922 401 1HG2 ILE 52 1HG2 ILE 52 -2.134 -9.044 -13.151 402 2HG2 ILE 52 2HG2 ILE 52 -3.419 -8.503 -12.057 403 3HG2 ILE 52 3HG2 ILE 52 -1.802 -7.849 -11.890 404 1HD1 ILE 52 1HD1 ILE 52 -4.541 -10.563 -10.393 405 2HD1 ILE 52 2HD1 ILE 52 -4.715 -10.273 -12.141 406 3HD1 ILE 52 3HD1 ILE 52 -4.824 -11.917 -11.504 407 H ILE 53 H ILE 53 0.212 -9.353 -8.810 408 HA ILE 53 HA ILE 53 1.782 -7.011 -9.766 409 HB ILE 53 HB ILE 53 -0.602 -7.190 -7.952 410 1HG1 ILE 53 2HG1 ILE 53 -0.453 -5.989 -10.243 411 2HG1 ILE 53 3HG1 ILE 53 -1.219 -5.139 -8.888 412 1HG2 ILE 53 1HG2 ILE 53 0.944 -6.613 -6.233 413 2HG2 ILE 53 2HG2 ILE 53 1.721 -5.389 -7.243 414 3HG2 ILE 53 3HG2 ILE 53 0.040 -5.176 -6.694 415 1HD1 ILE 53 1HD1 ILE 53 1.662 -4.672 -9.712 416 2HD1 ILE 53 2HD1 ILE 53 0.273 -3.705 -10.253 417 3HD1 ILE 53 3HD1 ILE 53 0.694 -3.746 -8.535 418 H GLY 54 H GLY 54 3.840 -7.288 -9.043 419 1HA GLY 54 2HA GLY 54 4.465 -9.338 -7.065 420 2HA GLY 54 1HA GLY 54 5.567 -8.126 -7.755 421 HA PRO 55 HA PRO 55 3.756 -6.710 -3.487 422 1HB PRO 55 2HB PRO 55 5.821 -7.416 -1.786 423 2HB PRO 55 3HB PRO 55 4.384 -8.432 -2.100 424 1HG PRO 55 2HG PRO 55 7.106 -8.681 -3.381 425 2HG PRO 55 3HG PRO 55 6.080 -9.970 -2.694 426 1HD PRO 55 2HD PRO 55 6.129 -9.455 -5.368 427 2HD PRO 55 3HD PRO 55 4.613 -9.928 -4.555 428 H ARG 56 H ARG 56 7.038 -7.021 -4.733 429 HA ARG 56 HA ARG 56 8.256 -4.601 -4.221 430 1HB ARG 56 2HB ARG 56 9.341 -4.903 -6.444 431 2HB ARG 56 3HB ARG 56 9.439 -6.292 -5.362 432 1HG ARG 56 2HG ARG 56 7.791 -7.533 -6.630 433 2HG ARG 56 3HG ARG 56 7.321 -6.104 -7.558 434 1HD ARG 56 2HD ARG 56 8.659 -7.564 -8.905 435 2HD ARG 56 3HD ARG 56 9.437 -5.989 -8.662 436 HE ARG 56 HE ARG 56 10.353 -7.818 -6.662 437 1HH1 ARG 56 2HH2 ARG 56 10.626 -7.227 -10.112 438 2HH1 ARG 56 1HH2 ARG 56 12.216 -7.905 -10.292 439 1HH2 ARG 56 2HH1 ARG 56 12.476 -8.741 -6.827 440 2HH2 ARG 56 1HH1 ARG 56 13.288 -8.801 -8.357 441 H ASP 57 H ASP 57 5.585 -5.169 -6.597 442 HA ASP 57 HA ASP 57 6.056 -2.649 -7.928 443 1HB ASP 57 2HB ASP 57 3.657 -4.493 -8.064 444 2HB ASP 57 3HB ASP 57 4.045 -3.176 -9.176 445 H ILE 58 H ILE 58 3.786 -3.818 -5.454 446 HA ILE 58 HA ILE 58 2.318 -1.358 -5.171 447 HB ILE 58 HB ILE 58 2.913 -3.648 -3.285 448 1HG1 ILE 58 2HG1 ILE 58 0.215 -2.852 -4.383 449 2HG1 ILE 58 3HG1 ILE 58 1.346 -3.719 -5.423 450 1HG2 ILE 58 1HG2 ILE 58 1.230 -1.151 -2.803 451 2HG2 ILE 58 2HG2 ILE 58 0.997 -2.645 -1.889 452 3HG2 ILE 58 3HG2 ILE 58 2.541 -1.797 -1.794 453 1HD1 ILE 58 1HD1 ILE 58 0.436 -4.734 -2.699 454 2HD1 ILE 58 2HD1 ILE 58 -0.156 -5.275 -4.281 455 3HD1 ILE 58 3HD1 ILE 58 1.534 -5.555 -3.835 456 H ILE 59 H ILE 59 5.292 -2.624 -3.542 457 HA ILE 59 HA ILE 59 5.790 -0.348 -1.947 458 HB ILE 59 HB ILE 59 7.585 -2.456 -3.174 459 1HG1 ILE 59 2HG1 ILE 59 6.860 -2.019 -0.259 460 2HG1 ILE 59 3HG1 ILE 59 5.777 -2.914 -1.329 461 1HG2 ILE 59 1HG2 ILE 59 8.311 -0.234 -1.241 462 2HG2 ILE 59 2HG2 ILE 59 9.324 -1.660 -1.553 463 3HG2 ILE 59 3HG2 ILE 59 8.997 -0.516 -2.854 464 1HD1 ILE 59 1HD1 ILE 59 8.662 -3.682 -0.772 465 2HD1 ILE 59 2HD1 ILE 59 7.199 -4.467 -0.148 466 3HD1 ILE 59 3HD1 ILE 59 7.545 -4.505 -1.886 467 H HIS 60 H HIS 60 7.024 -1.049 -5.286 468 HA HIS 60 HA HIS 60 8.317 1.381 -5.751 469 1HB HIS 60 2HB HIS 60 6.616 -0.126 -7.784 470 2HB HIS 60 3HB HIS 60 7.898 1.027 -8.126 471 HD1 HIS 60 1HD HIS 60 7.776 -2.142 -9.054 472 HD2 HIS 60 2HD HIS 60 10.076 -0.352 -6.004 473 HE1 HIS 60 1HE HIS 60 9.828 -3.597 -8.735 474 H THR 61 H THR 61 4.827 0.621 -6.030 475 HA THR 61 HA THR 61 4.096 3.079 -7.294 476 HB THR 61 HB THR 61 2.362 1.306 -5.523 477 HG1 THR 61 1HG THR 61 3.372 0.211 -7.298 478 1HG2 THR 61 1HG2 THR 61 1.314 3.494 -6.011 479 2HG2 THR 61 2HG2 THR 61 1.656 3.273 -7.742 480 3HG2 THR 61 3HG2 THR 61 0.520 2.194 -6.915 481 H ILE 62 H ILE 62 4.039 2.047 -3.859 482 HA ILE 62 HA ILE 62 3.207 4.516 -2.688 483 HB ILE 62 HB ILE 62 4.779 2.087 -1.826 484 1HG1 ILE 62 2HG1 ILE 62 2.387 3.221 -0.406 485 2HG1 ILE 62 3HG1 ILE 62 2.127 2.487 -2.005 486 1HG2 ILE 62 1HG2 ILE 62 4.776 2.963 0.535 487 2HG2 ILE 62 2HG2 ILE 62 5.894 3.835 -0.494 488 3HG2 ILE 62 3HG2 ILE 62 4.319 4.556 -0.095 489 1HD1 ILE 62 1HD1 ILE 62 3.457 1.066 0.336 490 2HD1 ILE 62 2HD1 ILE 62 1.786 0.834 -0.221 491 3HD1 ILE 62 3HD1 ILE 62 3.149 0.391 -1.269 492 H GLU 63 H GLU 63 6.541 3.217 -3.061 493 HA GLU 63 HA GLU 63 7.681 5.548 -1.953 494 1HB GLU 63 2HB GLU 63 8.975 3.311 -3.572 495 2HB GLU 63 3HB GLU 63 9.820 4.508 -2.571 496 1HG GLU 63 2HG GLU 63 8.432 3.767 -0.607 497 2HG GLU 63 3HG GLU 63 7.791 2.444 -1.563 498 H SER 64 H SER 64 6.796 4.824 -5.268 499 HA SER 64 HA SER 64 8.372 6.817 -6.538 500 1HB SER 64 2HB SER 64 7.186 5.017 -7.755 501 2HB SER 64 3HB SER 64 5.631 5.777 -7.348 502 HG SER 64 HG SER 64 6.751 7.723 -8.383 503 H LEU 65 H LEU 65 5.639 7.273 -4.334 504 HA LEU 65 HA LEU 65 5.162 10.008 -5.360 505 1HB LEU 65 2HB LEU 65 4.172 8.402 -2.998 506 2HB LEU 65 3HB LEU 65 3.843 10.132 -3.178 507 HG LEU 65 HG LEU 65 1.959 8.911 -3.844 508 1HD1 LEU 65 1HD1 LEU 65 2.562 10.964 -5.178 509 2HD1 LEU 65 2HD1 LEU 65 3.206 9.889 -6.441 510 3HD1 LEU 65 3HD1 LEU 65 1.492 9.821 -6.016 511 1HD2 LEU 65 1HD2 LEU 65 2.957 6.775 -4.395 512 2HD2 LEU 65 2HD2 LEU 65 1.811 7.312 -5.633 513 3HD2 LEU 65 3HD2 LEU 65 3.550 7.427 -5.947 514 H GLY 66 H GLY 66 5.658 9.432 -1.913 515 1HA GLY 66 2HA GLY 66 8.387 10.457 -1.902 516 2HA GLY 66 1HA GLY 66 7.177 11.630 -1.334 517 H PHE 67 H PHE 67 7.648 8.064 -1.014 518 HA PHE 67 HA PHE 67 7.331 8.252 1.943 519 1HB PHE 67 2HB PHE 67 5.831 6.339 0.127 520 2HB PHE 67 3HB PHE 67 5.644 6.508 1.876 521 HD1 PHE 67 1HD PHE 67 3.826 7.014 -0.951 522 HD2 PHE 67 2HD PHE 67 5.317 9.325 2.367 523 HE1 PHE 67 1HE PHE 67 2.119 8.747 -1.378 524 HE2 PHE 67 2HE PHE 67 3.600 11.035 1.958 525 HZ PHE 67 HZ PHE 67 1.984 10.759 0.094 526 H GLU 68 H GLU 68 7.625 5.891 2.814 527 HA GLU 68 HA GLU 68 9.509 4.289 1.188 528 1HB GLU 68 2HB GLU 68 10.174 4.902 4.038 529 2HB GLU 68 3HB GLU 68 11.156 4.092 2.811 530 1HG GLU 68 2HG GLU 68 11.515 6.259 1.694 531 2HG GLU 68 3HG GLU 68 10.490 7.068 2.898 532 H ALA 69 H ALA 69 9.160 2.072 1.626 533 HA ALA 69 HA ALA 69 6.925 1.545 3.530 534 1HB ALA 69 1HB ALA 69 7.789 0.015 1.056 535 2HB ALA 69 2HB ALA 69 6.345 -0.290 2.047 536 3HB ALA 69 3HB ALA 69 6.476 1.214 1.113 537 H SER 70 H SER 70 6.815 -0.470 4.644 538 HA SER 70 HA SER 70 9.090 -2.329 4.635 539 1HB SER 70 2HB SER 70 8.907 -2.098 7.321 540 2HB SER 70 3HB SER 70 10.078 -1.182 6.372 541 HG SER 70 HG SER 70 7.468 -0.222 6.981 542 H LEU 71 H LEU 71 8.248 -4.420 4.987 543 HA LEU 71 HA LEU 71 5.450 -4.922 5.179 544 1HB LEU 71 2HB LEU 71 7.796 -6.630 6.072 545 2HB LEU 71 3HB LEU 71 6.144 -7.208 5.836 546 HG LEU 71 HG LEU 71 7.913 -6.056 3.623 547 1HD1 LEU 71 1HD1 LEU 71 7.161 -8.936 4.270 548 2HD1 LEU 71 2HD1 LEU 71 8.094 -8.387 2.862 549 3HD1 LEU 71 3HD1 LEU 71 8.763 -8.201 4.491 550 1HD2 LEU 71 1HD2 LEU 71 5.184 -7.425 3.544 551 2HD2 LEU 71 2HD2 LEU 71 5.538 -5.746 3.079 552 3HD2 LEU 71 3HD2 LEU 71 6.194 -7.078 2.126 553 H VAL 72 H VAL 72 4.030 -5.262 6.943 554 HA VAL 72 HA VAL 72 5.283 -5.246 9.633 555 HB VAL 72 HB VAL 72 4.455 -2.989 9.253 556 1HG1 VAL 72 1HG1 VAL 72 2.122 -2.410 9.217 557 2HG1 VAL 72 2HG1 VAL 72 2.447 -3.447 7.832 558 3HG1 VAL 72 3HG1 VAL 72 1.612 -4.092 9.265 559 1HG2 VAL 72 1HG2 VAL 72 4.600 -3.970 11.507 560 2HG2 VAL 72 2HG2 VAL 72 3.268 -2.809 11.387 561 3HG2 VAL 72 3HG2 VAL 72 2.925 -4.549 11.374 562 H LYS 73 H LYS 73 2.101 -5.787 8.030 563 HA LYS 73 HA LYS 73 0.471 -7.245 8.480 564 1HB LYS 73 2HB LYS 73 2.525 -8.692 7.614 565 2HB LYS 73 3HB LYS 73 2.391 -9.413 9.222 566 1HG LYS 73 2HG LYS 73 -0.098 -9.787 8.699 567 2HG LYS 73 3HG LYS 73 0.214 -9.130 7.095 568 1HD LYS 73 2HD LYS 73 0.267 -11.488 6.797 569 2HD LYS 73 3HD LYS 73 1.932 -10.916 6.692 570 1HE LYS 73 2HE LYS 73 1.899 -12.964 8.014 571 2HE LYS 73 3HE LYS 73 2.297 -11.621 9.085 572 1HZ LYS 73 1HZ LYS 73 -0.289 -13.044 8.942 573 2HZ LYS 73 2HZ LYS 73 0.701 -12.778 10.254 574 3HZ LYS 73 3HZ LYS 73 -0.107 -11.584 9.688 575 H ILE 74 H ILE 74 -0.666 -6.455 10.182 576 HA ILE 74 HA ILE 74 0.223 -6.551 12.875 577 HB ILE 74 HB ILE 74 -1.260 -4.915 11.833 578 1HG1 ILE 74 2HG1 ILE 74 -2.479 -6.182 14.316 579 2HG1 ILE 74 3HG1 ILE 74 -1.033 -5.157 14.285 580 1HG2 ILE 74 1HG2 ILE 74 -3.690 -6.654 12.236 581 2HG2 ILE 74 2HG2 ILE 74 -3.471 -5.209 11.241 582 3HG2 ILE 74 3HG2 ILE 74 -2.793 -6.753 10.714 583 1HD1 ILE 74 1HD1 ILE 74 -2.365 -3.329 13.237 584 2HD1 ILE 74 2HD1 ILE 74 -3.830 -4.321 13.419 585 3HD1 ILE 74 3HD1 ILE 74 -2.943 -3.780 14.858 586 H GLU 75 H GLU 75 0.868 -8.782 12.836 587 HA GLU 75 HA GLU 75 0.752 -10.810 13.904 588 1HB GLU 75 2HB GLU 75 -1.510 -10.228 14.992 589 2HB GLU 75 3HB GLU 75 -2.260 -10.956 13.555 590 1HG GLU 75 2HG GLU 75 -1.068 -13.077 14.025 591 2HG GLU 75 3HG GLU 75 -0.312 -12.342 15.449
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