NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11477 | 1rjt | 6038 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PHE 1 1HT PHE 1 27.463 -5.654 -4.708 2 2H PHE 1 2HT PHE 1 25.773 -5.696 -4.613 3 3H PHE 1 3HT PHE 1 26.618 -7.042 -5.190 4 HA PHE 1 HA PHE 1 27.638 -7.375 -3.045 5 1HB PHE 1 2HB PHE 1 25.993 -4.941 -2.346 6 2HB PHE 1 1HB PHE 1 26.533 -6.077 -1.117 7 HD1 PHE 1 1HD PHE 1 28.861 -6.229 -0.502 8 HD2 PHE 1 2HD PHE 1 27.562 -3.490 -3.483 9 HE1 PHE 1 1HE PHE 1 31.004 -5.039 -0.332 10 HE2 PHE 1 2HE PHE 1 29.709 -2.299 -3.322 11 HZ PHE 1 HZ PHE 1 31.433 -3.069 -1.744 12 HA PRO 2 HA PRO 2 23.988 -9.833 -2.477 13 1HB PRO 2 2HB PRO 2 25.097 -11.404 -0.448 14 2HB PRO 2 1HB PRO 2 25.230 -11.699 -2.181 15 1HG PRO 2 2HG PRO 2 27.314 -10.995 -0.399 16 2HG PRO 2 1HG PRO 2 27.408 -11.116 -2.163 17 1HD PRO 2 2HD PRO 2 27.114 -8.720 -0.442 18 2HD PRO 2 1HD PRO 2 27.847 -8.875 -2.052 19 H MET 3 H MET 3 22.791 -8.000 -1.521 20 HA MET 3 HA MET 3 22.683 -7.844 1.359 21 1HB MET 3 2HB MET 3 20.946 -6.625 -0.794 22 2HB MET 3 1HB MET 3 20.652 -6.396 0.922 23 1HG MET 3 2HG MET 3 21.794 -4.484 0.228 24 2HG MET 3 1HG MET 3 22.999 -5.463 1.061 25 1HE MET 3 1HE MET 3 21.728 -4.080 -2.375 26 2HE MET 3 2HE MET 3 21.490 -5.817 -2.568 27 3HE MET 3 3HE MET 3 22.720 -4.986 -3.521 28 H PHE 4 H PHE 4 20.366 -8.743 -1.167 29 HA PHE 4 HA PHE 4 18.742 -10.293 -1.304 30 1HB PHE 4 2HB PHE 4 20.513 -11.892 -0.924 31 2HB PHE 4 1HB PHE 4 20.406 -11.660 0.817 32 HD1 PHE 4 1HD PHE 4 18.316 -12.705 -2.088 33 HD2 PHE 4 2HD PHE 4 19.154 -13.129 2.063 34 HE1 PHE 4 1HE PHE 4 16.682 -14.538 -1.945 35 HE2 PHE 4 2HE PHE 4 17.522 -14.960 2.210 36 HZ PHE 4 HZ PHE 4 16.282 -15.668 0.206 37 H LYS 5 H LYS 5 16.946 -9.195 -0.665 38 HA LYS 5 HA LYS 5 16.170 -8.927 2.068 39 1HB LYS 5 2HB LYS 5 14.410 -8.939 -0.400 40 2HB LYS 5 1HB LYS 5 13.962 -8.344 1.191 41 1HG LYS 5 2HG LYS 5 15.690 -6.591 0.992 42 2HG LYS 5 1HG LYS 5 16.048 -7.166 -0.638 43 1HD LYS 5 2HD LYS 5 13.678 -6.738 -1.250 44 2HD LYS 5 1HD LYS 5 13.428 -6.046 0.352 45 1HE LYS 5 2HE LYS 5 15.357 -5.036 -1.738 46 2HE LYS 5 1HE LYS 5 13.807 -4.310 -1.325 47 1HZ LYS 5 1HZ LYS 5 15.438 -3.077 -0.196 48 2HZ LYS 5 2HZ LYS 5 16.249 -4.462 0.345 49 3HZ LYS 5 3HZ LYS 5 14.733 -4.062 0.994 50 H ARG 6 H ARG 6 15.729 -10.629 3.344 51 HA ARG 6 HA ARG 6 15.483 -13.244 2.261 52 1HB ARG 6 2HB ARG 6 14.843 -12.369 5.079 53 2HB ARG 6 1HB ARG 6 15.222 -14.000 4.545 54 1HG ARG 6 2HG ARG 6 17.486 -13.155 3.881 55 2HG ARG 6 1HG ARG 6 17.072 -11.632 4.672 56 1HD ARG 6 2HD ARG 6 17.387 -14.356 5.904 57 2HD ARG 6 1HD ARG 6 18.277 -12.881 6.271 58 HE ARG 6 HE ARG 6 15.400 -13.062 6.853 59 1HH1 ARG 6 1HH1 ARG 6 18.704 -12.628 7.957 60 2HH1 ARG 6 2HH1 ARG 6 18.221 -12.186 9.570 61 1HH2 ARG 6 1HH2 ARG 6 14.792 -12.513 8.980 62 2HH2 ARG 6 2HH2 ARG 6 16.024 -12.129 10.147 63 H GLY 7 H GLY 7 13.166 -10.881 3.388 64 1HA GLY 7 2HA GLY 7 10.957 -12.744 3.343 65 2HA GLY 7 1HA GLY 7 10.856 -11.006 3.603 66 H ARG 8 H ARG 8 10.004 -13.406 1.529 67 HA ARG 8 HA ARG 8 10.414 -11.990 -0.954 68 1HB ARG 8 2HB ARG 8 10.054 -14.609 -0.408 69 2HB ARG 8 1HB ARG 8 8.401 -14.169 -0.812 70 1HG ARG 8 2HG ARG 8 10.261 -13.105 -2.744 71 2HG ARG 8 1HG ARG 8 10.445 -14.849 -2.573 72 1HD ARG 8 2HD ARG 8 8.852 -14.453 -4.301 73 2HD ARG 8 1HD ARG 8 7.974 -15.057 -2.896 74 HE ARG 8 HE ARG 8 7.813 -12.355 -2.633 75 1HH1 ARG 8 1HH1 ARG 8 7.024 -14.602 -5.205 76 2HH1 ARG 8 2HH1 ARG 8 5.804 -13.573 -5.899 77 1HH2 ARG 8 1HH2 ARG 8 6.191 -11.026 -3.520 78 2HH2 ARG 8 2HH2 ARG 8 5.306 -11.554 -4.919 79 H CYS 9 H CYS 9 8.085 -12.125 1.557 80 HA CYS 9 HA CYS 9 6.317 -10.371 -0.007 81 1HB CYS 9 2HB CYS 9 5.682 -11.893 2.551 82 2HB CYS 9 1HB CYS 9 4.558 -10.898 1.616 83 H LEU 10 H LEU 10 8.367 -9.060 0.494 84 HA LEU 10 HA LEU 10 7.897 -7.493 2.944 85 1HB LEU 10 2HB LEU 10 10.050 -8.761 2.937 86 2HB LEU 10 1HB LEU 10 10.513 -7.899 1.482 87 HG LEU 10 HG LEU 10 10.416 -5.767 2.765 88 1HD1 LEU 10 1HD1 LEU 10 8.863 -6.433 4.507 89 2HD1 LEU 10 2HD1 LEU 10 10.382 -5.887 5.218 90 3HD1 LEU 10 3HD1 LEU 10 10.024 -7.613 5.117 91 1HD2 LEU 10 1HD2 LEU 10 12.256 -7.892 3.857 92 2HD2 LEU 10 2HD2 LEU 10 12.494 -6.150 4.001 93 3HD2 LEU 10 3HD2 LEU 10 12.530 -6.916 2.414 94 H CYS 11 H CYS 11 8.168 -5.207 2.719 95 HA CYS 11 HA CYS 11 8.381 -4.106 0.061 96 1HB CYS 11 2HB CYS 11 5.815 -3.932 1.655 97 2HB CYS 11 1HB CYS 11 6.182 -2.919 0.265 98 H ILE 12 H ILE 12 8.648 -1.842 0.095 99 HA ILE 12 HA ILE 12 9.109 -0.733 2.785 100 HB ILE 12 HB ILE 12 11.230 -1.345 1.730 101 1HG1 ILE 12 2HG1 ILE 12 12.352 0.882 1.858 102 2HG1 ILE 12 1HG1 ILE 12 10.766 1.644 1.899 103 1HG2 ILE 12 1HG2 ILE 12 10.349 0.516 -0.470 104 2HG2 ILE 12 2HG2 ILE 12 10.659 -1.217 -0.589 105 3HG2 ILE 12 3HG2 ILE 12 11.992 -0.100 -0.287 106 1HD1 ILE 12 1HD1 ILE 12 11.773 1.458 4.120 107 2HD1 ILE 12 2HD1 ILE 12 11.817 -0.296 3.947 108 3HD1 ILE 12 3HD1 ILE 12 10.269 0.546 3.999 109 H GLY 13 H GLY 13 7.940 -0.367 -0.404 110 1HA GLY 13 2HA GLY 13 5.934 1.088 -0.473 111 2HA GLY 13 1HA GLY 13 6.928 2.318 0.250 112 HA PRO 14 HA PRO 14 8.119 1.833 -4.374 113 1HB PRO 14 2HB PRO 14 6.363 0.310 -5.817 114 2HB PRO 14 1HB PRO 14 7.787 -0.350 -5.003 115 1HG PRO 14 2HG PRO 14 4.947 -0.611 -4.317 116 2HG PRO 14 1HG PRO 14 6.321 -1.610 -3.820 117 1HD PRO 14 2HD PRO 14 4.996 0.450 -2.319 118 2HD PRO 14 1HD PRO 14 6.369 -0.545 -1.828 119 H GLY 15 H GLY 15 6.283 3.597 -3.037 120 1HA GLY 15 2HA GLY 15 4.711 4.578 -5.307 121 2HA GLY 15 1HA GLY 15 3.865 4.214 -3.809 122 H VAL 16 H VAL 16 3.221 6.295 -3.293 123 HA VAL 16 HA VAL 16 5.415 8.217 -2.828 124 HB VAL 16 HB VAL 16 2.651 9.134 -3.600 125 1HG1 VAL 16 1HG1 VAL 16 4.250 10.748 -2.603 126 2HG1 VAL 16 2HG1 VAL 16 3.800 11.160 -4.258 127 3HG1 VAL 16 3HG1 VAL 16 5.365 10.417 -3.930 128 1HG2 VAL 16 1HG2 VAL 16 3.431 9.355 -5.921 129 2HG2 VAL 16 2HG2 VAL 16 3.347 7.671 -5.399 130 3HG2 VAL 16 3HG2 VAL 16 4.907 8.489 -5.492 131 H LYS 17 H LYS 17 2.593 9.729 -1.995 132 HA LYS 17 HA LYS 17 1.892 8.643 0.485 133 1HB LYS 17 2HB LYS 17 4.286 9.319 0.981 134 2HB LYS 17 1HB LYS 17 3.794 10.986 0.709 135 1HG LYS 17 2HG LYS 17 1.985 10.455 2.506 136 2HG LYS 17 1HG LYS 17 3.076 9.137 2.936 137 1HD LYS 17 2HD LYS 17 3.689 10.949 4.320 138 2HD LYS 17 1HD LYS 17 4.914 10.881 3.052 139 1HE LYS 17 2HE LYS 17 3.757 12.658 1.834 140 2HE LYS 17 1HE LYS 17 2.525 12.726 3.093 141 1HZ LYS 17 1HZ LYS 17 3.994 14.454 3.586 142 2HZ LYS 17 2HZ LYS 17 5.368 13.520 3.257 143 3HZ LYS 17 3HZ LYS 17 4.458 13.215 4.653 144 H ALA 18 H ALA 18 -0.155 9.327 0.296 145 HA ALA 18 HA ALA 18 -1.938 10.710 0.462 146 1HB ALA 18 1HB ALA 18 -0.536 11.983 2.083 147 2HB ALA 18 2HB ALA 18 -1.724 12.962 1.223 148 3HB ALA 18 3HB ALA 18 -0.026 13.020 0.750 149 H VAL 19 H VAL 19 -2.789 10.469 -1.479 150 HA VAL 19 HA VAL 19 -2.074 12.398 -3.587 151 HB VAL 19 HB VAL 19 -2.574 10.518 -5.224 152 1HG1 VAL 19 1HG1 VAL 19 -0.176 10.195 -3.426 153 2HG1 VAL 19 2HG1 VAL 19 -0.301 11.318 -4.779 154 3HG1 VAL 19 3HG1 VAL 19 -0.330 9.580 -5.069 155 1HG2 VAL 19 1HG2 VAL 19 -3.681 9.023 -3.632 156 2HG2 VAL 19 2HG2 VAL 19 -2.165 8.844 -2.749 157 3HG2 VAL 19 3HG2 VAL 19 -2.299 8.239 -4.400 158 H LYS 20 H LYS 20 -4.005 11.342 -5.447 159 HA LYS 20 HA LYS 20 -6.435 12.453 -4.457 160 1HB LYS 20 2HB LYS 20 -5.891 12.428 -6.858 161 2HB LYS 20 1HB LYS 20 -5.920 10.670 -6.844 162 1HG LYS 20 2HG LYS 20 -7.952 11.415 -7.800 163 2HG LYS 20 1HG LYS 20 -8.321 10.781 -6.197 164 1HD LYS 20 2HD LYS 20 -8.390 13.065 -5.316 165 2HD LYS 20 1HD LYS 20 -8.018 13.694 -6.924 166 1HE LYS 20 2HE LYS 20 -10.458 12.100 -6.145 167 2HE LYS 20 1HE LYS 20 -10.407 13.829 -6.489 168 1HZ LYS 20 1HZ LYS 20 -9.833 13.373 -8.757 169 2HZ LYS 20 2HZ LYS 20 -11.216 12.476 -8.371 170 3HZ LYS 20 3HZ LYS 20 -9.709 11.706 -8.454 171 H VAL 21 H VAL 21 -7.104 11.412 -2.634 172 HA VAL 21 HA VAL 21 -6.842 8.605 -2.273 173 HB VAL 21 HB VAL 21 -8.193 9.054 -0.149 174 1HG1 VAL 21 1HG1 VAL 21 -5.772 8.896 -0.173 175 2HG1 VAL 21 2HG1 VAL 21 -6.293 10.166 0.935 176 3HG1 VAL 21 3HG1 VAL 21 -5.649 10.590 -0.652 177 1HG2 VAL 21 1HG2 VAL 21 -7.787 11.911 -1.045 178 2HG2 VAL 21 2HG2 VAL 21 -8.376 11.397 0.536 179 3HG2 VAL 21 3HG2 VAL 21 -9.336 11.081 -0.910 180 H ALA 22 H ALA 22 -8.067 8.325 -4.321 181 HA ALA 22 HA ALA 22 -10.488 6.994 -3.909 182 1HB ALA 22 1HB ALA 22 -10.830 9.702 -5.214 183 2HB ALA 22 2HB ALA 22 -11.476 9.221 -3.646 184 3HB ALA 22 3HB ALA 22 -12.062 8.446 -5.117 185 H ASP 23 H ASP 23 -8.261 8.646 -5.955 186 HA ASP 23 HA ASP 23 -8.782 6.897 -8.234 187 1HB ASP 23 2HB ASP 23 -7.333 9.442 -7.746 188 2HB ASP 23 1HB ASP 23 -6.698 8.412 -9.017 189 H ILE 24 H ILE 24 -6.135 7.912 -6.147 190 HA ILE 24 HA ILE 24 -4.926 5.249 -6.324 191 HB ILE 24 HB ILE 24 -2.699 6.579 -5.946 192 1HG1 ILE 24 2HG1 ILE 24 -4.151 8.785 -5.923 193 2HG1 ILE 24 1HG1 ILE 24 -2.552 8.780 -6.651 194 1HG2 ILE 24 1HG2 ILE 24 -3.108 5.155 -7.848 195 2HG2 ILE 24 2HG2 ILE 24 -2.306 6.634 -8.374 196 3HG2 ILE 24 3HG2 ILE 24 -4.035 6.425 -8.647 197 1HD1 ILE 24 1HD1 ILE 24 -4.143 9.999 -8.015 198 2HD1 ILE 24 2HD1 ILE 24 -5.167 8.568 -8.128 199 3HD1 ILE 24 3HD1 ILE 24 -3.564 8.565 -8.864 200 H GLU 25 H GLU 25 -3.491 4.897 -4.513 201 HA GLU 25 HA GLU 25 -3.228 4.594 -2.304 202 1HB GLU 25 2HB GLU 25 -2.930 7.110 -2.381 203 2HB GLU 25 1HB GLU 25 -4.626 7.240 -1.914 204 1HG GLU 25 2HG GLU 25 -4.225 6.247 0.200 205 2HG GLU 25 1HG GLU 25 -2.613 5.713 -0.277 206 H LYS 26 H LYS 26 -4.647 3.006 -2.937 207 HA LYS 26 HA LYS 26 -7.104 2.880 -1.427 208 1HB LYS 26 2HB LYS 26 -6.980 2.700 -4.436 209 2HB LYS 26 1HB LYS 26 -8.214 1.841 -3.529 210 1HG LYS 26 2HG LYS 26 -9.126 3.881 -2.700 211 2HG LYS 26 1HG LYS 26 -7.781 4.811 -3.364 212 1HD LYS 26 2HD LYS 26 -9.810 4.985 -4.744 213 2HD LYS 26 1HD LYS 26 -8.465 4.256 -5.620 214 1HE LYS 26 2HE LYS 26 -10.464 3.027 -6.125 215 2HE LYS 26 1HE LYS 26 -9.424 2.019 -5.120 216 1HZ LYS 26 1HZ LYS 26 -11.811 3.545 -4.216 217 2HZ LYS 26 2HZ LYS 26 -10.786 2.662 -3.199 218 3HZ LYS 26 3HZ LYS 26 -11.693 1.862 -4.381 219 H ALA 27 H ALA 27 -6.067 1.290 -0.224 220 HA ALA 27 HA ALA 27 -4.975 -1.008 -1.609 221 1HB ALA 27 1HB ALA 27 -3.974 -1.603 0.321 222 2HB ALA 27 2HB ALA 27 -5.259 -0.956 1.344 223 3HB ALA 27 3HB ALA 27 -4.099 0.135 0.581 224 H SER 28 H SER 28 -6.261 -2.515 -2.280 225 HA SER 28 HA SER 28 -8.518 -3.344 -0.575 226 1HB SER 28 2HB SER 28 -8.311 -3.166 -3.569 227 2HB SER 28 1HB SER 28 -9.681 -3.878 -2.709 228 HG SER 28 HG SER 28 -9.543 -1.637 -1.589 229 H ILE 29 H ILE 29 -6.483 -4.785 0.035 230 HA ILE 29 HA ILE 29 -7.403 -7.315 -0.843 231 HB ILE 29 HB ILE 29 -5.724 -6.818 -2.621 232 1HG1 ILE 29 2HG1 ILE 29 -4.534 -8.970 -2.466 233 2HG1 ILE 29 1HG1 ILE 29 -4.985 -9.095 -0.769 234 1HG2 ILE 29 1HG2 ILE 29 -3.344 -6.887 -2.042 235 2HG2 ILE 29 2HG2 ILE 29 -3.776 -6.883 -0.331 236 3HG2 ILE 29 3HG2 ILE 29 -4.169 -5.492 -1.346 237 1HD1 ILE 29 1HD1 ILE 29 -6.872 -9.088 -3.112 238 2HD1 ILE 29 2HD1 ILE 29 -7.344 -9.182 -1.415 239 3HD1 ILE 29 3HD1 ILE 29 -6.405 -10.486 -2.143 240 H MET 30 H MET 30 -6.620 -9.007 0.589 241 HA MET 30 HA MET 30 -4.745 -8.163 2.652 242 1HB MET 30 2HB MET 30 -7.116 -7.848 3.503 243 2HB MET 30 1HB MET 30 -7.320 -9.588 3.355 244 1HG MET 30 2HG MET 30 -5.675 -10.004 5.014 245 2HG MET 30 1HG MET 30 -5.176 -8.313 5.031 246 1HE MET 30 1HE MET 30 -8.376 -6.587 6.540 247 2HE MET 30 2HE MET 30 -8.068 -6.894 4.830 248 3HE MET 30 3HE MET 30 -6.763 -6.328 5.874 249 H TYR 31 H TYR 31 -3.275 -9.486 1.482 250 HA TYR 31 HA TYR 31 -3.888 -12.357 1.533 251 1HB TYR 31 2HB TYR 31 -4.630 -11.065 -0.652 252 2HB TYR 31 1HB TYR 31 -2.924 -11.195 -1.042 253 HD1 TYR 31 1HD TYR 31 -2.023 -13.198 -1.887 254 HD2 TYR 31 2HD TYR 31 -5.960 -13.161 -0.275 255 HE1 TYR 31 1HE TYR 31 -2.405 -15.456 -2.781 256 HE2 TYR 31 2HE TYR 31 -6.353 -15.421 -1.162 257 HH TYR 31 HH TYR 31 -3.870 -17.409 -2.271 258 HA PRO 32 HA PRO 32 0.422 -12.981 2.445 259 1HB PRO 32 2HB PRO 32 0.089 -15.320 0.663 260 2HB PRO 32 1HB PRO 32 0.637 -15.245 2.338 261 1HG PRO 32 2HG PRO 32 -1.803 -16.142 1.639 262 2HG PRO 32 1HG PRO 32 -1.489 -15.310 3.171 263 1HD PRO 32 2HD PRO 32 -2.896 -14.331 0.757 264 2HD PRO 32 1HD PRO 32 -3.065 -13.845 2.446 265 H SER 33 H SER 33 -0.307 -11.498 -0.203 266 HA SER 33 HA SER 33 0.593 -10.990 -2.238 267 1HB SER 33 2HB SER 33 2.479 -10.334 -0.759 268 2HB SER 33 1HB SER 33 3.147 -11.959 -0.911 269 HG SER 33 HG SER 33 3.008 -11.416 -3.307 270 H ASN 34 H ASN 34 -0.163 -13.856 -1.474 271 HA ASN 34 HA ASN 34 -0.252 -15.932 -2.321 272 1HB ASN 34 2HB ASN 34 -1.030 -14.538 -4.302 273 2HB ASN 34 1HB ASN 34 0.592 -14.715 -4.957 274 1HD2 ASN 34 1HD2 ASN 34 1.199 -16.641 -5.860 275 2HD2 ASN 34 2HD2 ASN 34 0.119 -17.976 -6.088 276 H ASN 35 H ASN 35 2.048 -15.529 -0.945 277 HA ASN 35 HA ASN 35 3.575 -17.694 -2.060 278 1HB ASN 35 2HB ASN 35 4.584 -15.817 -3.292 279 2HB ASN 35 1HB ASN 35 4.886 -14.971 -1.781 280 1HD2 ASN 35 1HD2 ASN 35 6.651 -15.495 -0.573 281 2HD2 ASN 35 2HD2 ASN 35 7.860 -16.630 -1.081 282 H CYS 36 H CYS 36 2.072 -16.539 0.411 283 HA CYS 36 HA CYS 36 4.172 -17.016 2.377 284 1HB CYS 36 2HB CYS 36 2.898 -14.386 1.790 285 2HB CYS 36 1HB CYS 36 3.492 -14.739 3.423 286 H ASP 37 H ASP 37 3.183 -16.151 4.613 287 HA ASP 37 HA ASP 37 0.547 -17.481 4.899 288 1HB ASP 37 2HB ASP 37 2.738 -17.345 6.994 289 2HB ASP 37 1HB ASP 37 1.227 -18.242 7.102 290 H LYS 38 H LYS 38 2.165 -14.682 4.933 291 HA LYS 38 HA LYS 38 0.748 -13.375 7.108 292 1HB LYS 38 2HB LYS 38 2.118 -11.433 6.521 293 2HB LYS 38 1HB LYS 38 3.109 -12.848 6.793 294 1HG LYS 38 2HG LYS 38 3.149 -13.168 4.294 295 2HG LYS 38 1HG LYS 38 2.392 -11.579 4.174 296 1HD LYS 38 2HD LYS 38 5.070 -12.217 5.407 297 2HD LYS 38 1HD LYS 38 4.775 -11.345 3.900 298 1HE LYS 38 2HE LYS 38 3.544 -9.626 5.229 299 2HE LYS 38 1HE LYS 38 4.059 -10.463 6.692 300 1HZ LYS 38 1HZ LYS 38 6.378 -10.107 5.972 301 2HZ LYS 38 2HZ LYS 38 5.538 -8.664 6.262 302 3HZ LYS 38 3HZ LYS 38 5.808 -9.181 4.670 303 H ILE 39 H ILE 39 -0.226 -11.175 6.429 304 HA ILE 39 HA ILE 39 -1.441 -11.406 3.770 305 HB ILE 39 HB ILE 39 -3.678 -10.801 4.653 306 1HG1 ILE 39 2HG1 ILE 39 -2.423 -11.424 7.343 307 2HG1 ILE 39 1HG1 ILE 39 -2.970 -9.837 6.814 308 1HG2 ILE 39 1HG2 ILE 39 -4.244 -13.035 5.487 309 2HG2 ILE 39 2HG2 ILE 39 -2.526 -13.378 5.691 310 3HG2 ILE 39 3HG2 ILE 39 -3.181 -13.093 4.081 311 1HD1 ILE 39 1HD1 ILE 39 -4.715 -12.250 7.250 312 2HD1 ILE 39 2HD1 ILE 39 -5.266 -10.661 6.721 313 3HD1 ILE 39 3HD1 ILE 39 -4.565 -10.863 8.327 314 H GLU 40 H GLU 40 -1.122 -9.590 2.677 315 HA GLU 40 HA GLU 40 -1.163 -7.062 4.174 316 1HB GLU 40 2HB GLU 40 0.477 -6.253 2.360 317 2HB GLU 40 1HB GLU 40 1.081 -7.131 3.754 318 1HG GLU 40 2HG GLU 40 0.416 -8.595 1.259 319 2HG GLU 40 1HG GLU 40 1.913 -7.667 1.343 320 H VAL 41 H VAL 41 -1.372 -5.169 2.874 321 HA VAL 41 HA VAL 41 -3.610 -5.396 1.018 322 HB VAL 41 HB VAL 41 -3.718 -2.906 1.339 323 1HG1 VAL 41 1HG1 VAL 41 -3.787 -4.557 3.862 324 2HG1 VAL 41 2HG1 VAL 41 -5.095 -4.411 2.686 325 3HG1 VAL 41 3HG1 VAL 41 -4.585 -3.005 3.622 326 1HG2 VAL 41 1HG2 VAL 41 -2.376 -1.839 3.000 327 2HG2 VAL 41 2HG2 VAL 41 -1.287 -2.697 1.905 328 3HG2 VAL 41 3HG2 VAL 41 -1.660 -3.375 3.488 329 H ILE 42 H ILE 42 -3.666 -4.058 -0.953 330 HA ILE 42 HA ILE 42 -0.992 -3.261 -1.917 331 HB ILE 42 HB ILE 42 -3.302 -4.317 -3.577 332 1HG1 ILE 42 2HG1 ILE 42 -0.487 -5.384 -3.191 333 2HG1 ILE 42 1HG1 ILE 42 -1.930 -6.045 -2.434 334 1HG2 ILE 42 1HG2 ILE 42 -0.635 -3.204 -4.493 335 2HG2 ILE 42 2HG2 ILE 42 -2.211 -2.450 -4.728 336 3HG2 ILE 42 3HG2 ILE 42 -1.833 -3.975 -5.530 337 1HD1 ILE 42 1HD1 ILE 42 -2.820 -6.597 -4.649 338 2HD1 ILE 42 2HD1 ILE 42 -1.274 -7.385 -4.332 339 3HD1 ILE 42 3HD1 ILE 42 -1.343 -5.972 -5.383 340 H ILE 43 H ILE 43 -1.058 -1.118 -1.465 341 HA ILE 43 HA ILE 43 -3.451 0.398 -2.162 342 HB ILE 43 HB ILE 43 -0.846 1.669 -1.402 343 1HG1 ILE 43 2HG1 ILE 43 -2.896 0.732 0.619 344 2HG1 ILE 43 1HG1 ILE 43 -1.348 -0.064 0.342 345 1HG2 ILE 43 1HG2 ILE 43 -2.294 3.427 -0.607 346 2HG2 ILE 43 2HG2 ILE 43 -3.713 2.432 -0.928 347 3HG2 ILE 43 3HG2 ILE 43 -2.719 3.003 -2.274 348 1HD1 ILE 43 1HD1 ILE 43 -1.814 2.713 1.383 349 2HD1 ILE 43 2HD1 ILE 43 -0.234 2.100 0.900 350 3HD1 ILE 43 3HD1 ILE 43 -1.106 1.342 2.239 351 H THR 44 H THR 44 -3.660 1.177 -4.200 352 HA THR 44 HA THR 44 -1.174 1.540 -5.667 353 HB THR 44 HB THR 44 -2.786 0.617 -7.082 354 HG1 THR 44 1HG THR 44 -2.285 3.361 -7.416 355 1HG2 THR 44 1HG2 THR 44 -4.802 1.066 -5.792 356 2HG2 THR 44 2HG2 THR 44 -5.024 1.600 -7.460 357 3HG2 THR 44 3HG2 THR 44 -4.697 2.782 -6.191 358 H LEU 45 H LEU 45 -0.400 3.173 -4.258 359 HA LEU 45 HA LEU 45 -1.845 5.698 -4.364 360 1HB LEU 45 2HB LEU 45 -1.559 5.730 -2.148 361 2HB LEU 45 1HB LEU 45 -0.652 4.237 -2.215 362 HG LEU 45 HG LEU 45 1.382 5.614 -2.687 363 1HD1 LEU 45 1HD1 LEU 45 -0.475 7.848 -1.854 364 2HD1 LEU 45 2HD1 LEU 45 0.321 7.670 -3.419 365 3HD1 LEU 45 3HD1 LEU 45 1.279 7.988 -1.970 366 1HD2 LEU 45 1HD2 LEU 45 -0.030 6.075 -0.057 367 2HD2 LEU 45 2HD2 LEU 45 1.708 6.193 -0.335 368 3HD2 LEU 45 3HD2 LEU 45 0.892 4.637 -0.490 369 H LYS 46 H LYS 46 -1.133 6.724 -6.046 370 HA LYS 46 HA LYS 46 1.691 7.042 -6.440 371 1HB LYS 46 2HB LYS 46 0.828 4.807 -7.490 372 2HB LYS 46 1HB LYS 46 0.231 5.868 -8.757 373 1HG LYS 46 2HG LYS 46 2.310 5.103 -9.509 374 2HG LYS 46 1HG LYS 46 2.602 6.748 -8.940 375 1HD LYS 46 2HD LYS 46 3.513 5.900 -6.862 376 2HD LYS 46 1HD LYS 46 3.137 4.243 -7.345 377 1HE LYS 46 2HE LYS 46 5.441 4.543 -7.781 378 2HE LYS 46 1HE LYS 46 4.634 4.619 -9.343 379 1HZ LYS 46 1HZ LYS 46 5.889 6.778 -7.796 380 2HZ LYS 46 2HZ LYS 46 4.633 7.157 -8.865 381 3HZ LYS 46 3HZ LYS 46 6.045 6.413 -9.444 382 H GLU 47 H GLU 47 2.022 8.209 -8.719 383 HA GLU 47 HA GLU 47 0.307 10.493 -8.804 384 1HB GLU 47 2HB GLU 47 2.315 9.590 -10.880 385 2HB GLU 47 1HB GLU 47 1.632 11.201 -10.716 386 1HG GLU 47 2HG GLU 47 3.606 11.576 -9.689 387 2HG GLU 47 1HG GLU 47 2.711 10.975 -8.294 388 H ASN 48 H ASN 48 0.592 7.484 -10.551 389 HA ASN 48 HA ASN 48 -2.034 8.011 -11.762 390 1HB ASN 48 2HB ASN 48 -0.324 8.276 -13.511 391 2HB ASN 48 1HB ASN 48 0.306 6.673 -13.143 392 1HD2 ASN 48 1HD2 ASN 48 -2.226 8.482 -14.647 393 2HD2 ASN 48 2HD2 ASN 48 -2.987 7.145 -15.445 394 H LYS 49 H LYS 49 0.387 5.439 -11.221 395 HA LYS 49 HA LYS 49 -1.468 3.791 -9.795 396 1HB LYS 49 2HB LYS 49 -2.204 3.434 -12.147 397 2HB LYS 49 1HB LYS 49 -0.589 2.867 -12.532 398 1HG LYS 49 2HG LYS 49 -0.957 1.116 -10.716 399 2HG LYS 49 1HG LYS 49 -2.661 1.567 -10.809 400 1HD LYS 49 2HD LYS 49 -0.971 0.586 -13.113 401 2HD LYS 49 1HD LYS 49 -2.156 -0.369 -12.225 402 1HE LYS 49 2HE LYS 49 -2.840 2.164 -13.705 403 2HE LYS 49 1HE LYS 49 -2.935 0.559 -14.430 404 1HZ LYS 49 1HZ LYS 49 -5.081 1.215 -13.625 405 2HZ LYS 49 2HZ LYS 49 -4.468 1.522 -12.072 406 3HZ LYS 49 3HZ LYS 49 -4.510 -0.062 -12.668 407 H GLY 50 H GLY 50 -0.353 2.321 -8.531 408 1HA GLY 50 2HA GLY 50 2.100 1.140 -9.162 409 2HA GLY 50 1HA GLY 50 2.440 2.630 -8.283 410 H GLN 51 H GLN 51 3.059 0.043 -7.259 411 HA GLN 51 HA GLN 51 0.852 -0.642 -5.511 412 1HB GLN 51 2HB GLN 51 3.549 -1.938 -5.800 413 2HB GLN 51 1HB GLN 51 2.266 -2.512 -4.752 414 1HG GLN 51 2HG GLN 51 0.838 -2.658 -6.854 415 2HG GLN 51 1HG GLN 51 2.348 -2.466 -7.745 416 1HE2 GLN 51 1HE2 GLN 51 3.910 -4.085 -7.643 417 2HE2 GLN 51 2HE2 GLN 51 3.525 -5.686 -7.093 418 H ARG 52 H ARG 52 0.952 -0.839 -3.350 419 HA ARG 52 HA ARG 52 3.155 0.267 -1.845 420 1HB ARG 52 2HB ARG 52 0.354 1.398 -1.795 421 2HB ARG 52 1HB ARG 52 1.502 1.656 -0.502 422 1HG ARG 52 2HG ARG 52 2.082 2.439 -3.331 423 2HG ARG 52 1HG ARG 52 1.227 3.495 -2.200 424 1HD ARG 52 2HD ARG 52 3.983 2.326 -1.807 425 2HD ARG 52 1HD ARG 52 3.623 3.993 -2.260 426 HE ARG 52 HE ARG 52 2.293 3.336 0.141 427 1HH1 ARG 52 1HH1 ARG 52 5.461 4.083 -1.118 428 2HH1 ARG 52 2HH1 ARG 52 6.095 4.628 0.406 429 1HH2 ARG 52 1HH2 ARG 52 3.102 4.062 2.147 430 2HH2 ARG 52 2HH2 ARG 52 4.746 4.604 2.272 431 H CYS 53 H CYS 53 3.303 -1.965 -1.264 432 HA CYS 53 HA CYS 53 1.066 -3.044 0.205 433 1HB CYS 53 2HB CYS 53 2.974 -4.925 0.512 434 2HB CYS 53 1HB CYS 53 1.954 -4.819 -0.919 435 H LEU 54 H LEU 54 0.944 -1.726 1.986 436 HA LEU 54 HA LEU 54 3.316 -1.473 3.671 437 1HB LEU 54 2HB LEU 54 0.617 -0.133 3.819 438 2HB LEU 54 1HB LEU 54 1.909 0.122 4.977 439 HG LEU 54 HG LEU 54 1.978 0.831 2.046 440 1HD1 LEU 54 1HD1 LEU 54 1.904 2.544 4.523 441 2HD1 LEU 54 2HD1 LEU 54 0.584 2.314 3.376 442 3HD1 LEU 54 3HD1 LEU 54 2.063 3.130 2.867 443 1HD2 LEU 54 1HD2 LEU 54 4.172 0.117 2.808 444 2HD2 LEU 54 2HD2 LEU 54 4.062 1.201 4.194 445 3HD2 LEU 54 3HD2 LEU 54 4.146 1.862 2.561 446 H ASN 55 H ASN 55 3.636 -2.855 5.210 447 HA ASN 55 HA ASN 55 1.506 -3.905 6.818 448 1HB ASN 55 2HB ASN 55 1.406 -5.349 4.794 449 2HB ASN 55 1HB ASN 55 3.074 -5.829 5.086 450 1HD2 ASN 55 1HD2 ASN 55 2.314 -8.004 5.186 451 2HD2 ASN 55 2HD2 ASN 55 1.564 -8.588 6.638 452 HA PRO 56 HA PRO 56 5.924 -5.502 8.361 453 1HB PRO 56 2HB PRO 56 7.558 -3.503 6.882 454 2HB PRO 56 1HB PRO 56 7.939 -5.174 7.315 455 1HG PRO 56 2HG PRO 56 7.294 -4.543 4.815 456 2HG PRO 56 1HG PRO 56 6.716 -6.050 5.551 457 1HD PRO 56 2HD PRO 56 5.251 -3.494 5.056 458 2HD PRO 56 1HD PRO 56 4.679 -5.169 4.911 459 H LYS 57 H LYS 57 5.483 -4.706 10.293 460 HA LYS 57 HA LYS 57 5.603 -3.386 12.137 461 1HB LYS 57 2HB LYS 57 6.914 -1.283 10.407 462 2HB LYS 57 1HB LYS 57 6.862 -1.309 12.162 463 1HG LYS 57 2HG LYS 57 8.230 -3.335 12.174 464 2HG LYS 57 1HG LYS 57 8.288 -3.303 10.410 465 1HD LYS 57 2HD LYS 57 9.402 -1.243 12.310 466 2HD LYS 57 1HD LYS 57 10.322 -2.347 11.287 467 1HE LYS 57 2HE LYS 57 8.521 -0.113 10.355 468 2HE LYS 57 1HE LYS 57 10.283 -0.117 10.326 469 1HZ LYS 57 1HZ LYS 57 9.395 -0.618 8.158 470 2HZ LYS 57 2HZ LYS 57 8.509 -1.921 8.777 471 3HZ LYS 57 3HZ LYS 57 10.201 -1.982 8.769 472 H SER 58 H SER 58 5.142 -0.968 9.560 473 HA SER 58 HA SER 58 2.651 -0.184 10.915 474 1HB SER 58 2HB SER 58 4.386 1.451 9.042 475 2HB SER 58 1HB SER 58 2.950 2.021 9.891 476 HG SER 58 HG SER 58 4.404 1.061 11.787 477 H LYS 59 H LYS 59 0.768 -0.349 9.868 478 HA LYS 59 HA LYS 59 0.830 -1.303 7.088 479 1HB LYS 59 2HB LYS 59 -1.434 -1.332 9.104 480 2HB LYS 59 1HB LYS 59 -1.523 -1.967 7.471 481 1HG LYS 59 2HG LYS 59 -1.246 -3.834 8.857 482 2HG LYS 59 1HG LYS 59 0.338 -3.557 8.134 483 1HD LYS 59 2HD LYS 59 1.177 -2.592 10.139 484 2HD LYS 59 1HD LYS 59 -0.436 -2.505 10.849 485 1HE LYS 59 2HE LYS 59 0.867 -4.337 11.803 486 2HE LYS 59 1HE LYS 59 -0.546 -4.934 10.938 487 1HZ LYS 59 1HZ LYS 59 0.788 -5.660 9.155 488 2HZ LYS 59 2HZ LYS 59 1.593 -6.166 10.556 489 3HZ LYS 59 3HZ LYS 59 2.146 -4.812 9.705 490 H GLN 60 H GLN 60 -1.057 0.848 9.181 491 HA GLN 60 HA GLN 60 -2.080 2.833 8.889 492 1HB GLN 60 2HB GLN 60 0.189 3.470 8.015 493 2HB GLN 60 1HB GLN 60 -0.411 3.142 6.396 494 1HG GLN 60 2HG GLN 60 -2.078 4.881 6.626 495 2HG GLN 60 1HG GLN 60 -1.570 5.174 8.287 496 1HE2 GLN 60 1HE2 GLN 60 -0.823 5.644 4.940 497 2HE2 GLN 60 2HE2 GLN 60 0.459 6.778 5.178 498 H ALA 61 H ALA 61 -2.302 0.406 6.554 499 HA ALA 61 HA ALA 61 -4.160 1.531 4.766 500 1HB ALA 61 1HB ALA 61 -4.690 -0.750 4.139 501 2HB ALA 61 2HB ALA 61 -3.897 -1.361 5.592 502 3HB ALA 61 3HB ALA 61 -2.946 -0.571 4.334 503 H ARG 62 H ARG 62 -4.354 0.578 7.997 504 HA ARG 62 HA ARG 62 -7.055 0.003 8.347 505 1HB ARG 62 2HB ARG 62 -5.297 -0.255 10.072 506 2HB ARG 62 1HB ARG 62 -5.163 1.497 10.184 507 1HG ARG 62 2HG ARG 62 -6.460 0.671 12.029 508 2HG ARG 62 1HG ARG 62 -7.518 1.578 10.945 509 1HD ARG 62 2HD ARG 62 -8.602 -0.464 11.695 510 2HD ARG 62 1HD ARG 62 -8.299 -0.518 9.958 511 HE ARG 62 HE ARG 62 -6.457 -1.837 11.840 512 1HH1 ARG 62 1HH1 ARG 62 -8.742 -1.996 9.186 513 2HH1 ARG 62 2HH1 ARG 62 -8.308 -3.622 8.735 514 1HH2 ARG 62 1HH2 ARG 62 -5.915 -3.994 11.291 515 2HH2 ARG 62 2HH2 ARG 62 -6.691 -4.762 9.930 516 H LEU 63 H LEU 63 -5.300 3.058 8.208 517 HA LEU 63 HA LEU 63 -7.663 4.658 8.590 518 1HB LEU 63 2HB LEU 63 -4.868 5.426 7.761 519 2HB LEU 63 1HB LEU 63 -6.148 6.560 8.148 520 HG LEU 63 HG LEU 63 -4.983 4.575 10.099 521 1HD1 LEU 63 1HD1 LEU 63 -4.471 7.527 9.775 522 2HD1 LEU 63 2HD1 LEU 63 -3.319 6.226 9.469 523 3HD1 LEU 63 3HD1 LEU 63 -3.896 6.526 11.109 524 1HD2 LEU 63 1HD2 LEU 63 -6.832 6.920 10.499 525 2HD2 LEU 63 2HD2 LEU 63 -6.181 5.881 11.766 526 3HD2 LEU 63 3HD2 LEU 63 -7.295 5.220 10.570 527 H ILE 64 H ILE 64 -5.617 3.617 5.970 528 HA ILE 64 HA ILE 64 -6.812 5.285 4.019 529 HB ILE 64 HB ILE 64 -5.354 2.670 3.522 530 1HG1 ILE 64 2HG1 ILE 64 -3.980 4.132 4.922 531 2HG1 ILE 64 1HG1 ILE 64 -3.309 4.033 3.298 532 1HG2 ILE 64 1HG2 ILE 64 -4.788 3.645 1.353 533 2HG2 ILE 64 2HG2 ILE 64 -5.716 5.090 1.754 534 3HG2 ILE 64 3HG2 ILE 64 -6.535 3.539 1.566 535 1HD1 ILE 64 1HD1 ILE 64 -4.312 6.216 2.780 536 2HD1 ILE 64 2HD1 ILE 64 -3.186 6.294 4.134 537 3HD1 ILE 64 3HD1 ILE 64 -4.924 6.306 4.432 538 H ILE 65 H ILE 65 -7.932 2.576 5.632 539 HA ILE 65 HA ILE 65 -9.516 1.301 3.718 540 HB ILE 65 HB ILE 65 -9.299 1.275 6.608 541 1HG1 ILE 65 2HG1 ILE 65 -8.683 -0.584 5.158 542 2HG1 ILE 65 1HG1 ILE 65 -9.948 -1.081 6.277 543 1HG2 ILE 65 1HG2 ILE 65 -11.558 2.243 6.522 544 2HG2 ILE 65 2HG2 ILE 65 -11.560 0.605 7.176 545 3HG2 ILE 65 3HG2 ILE 65 -12.087 0.894 5.517 546 1HD1 ILE 65 1HD1 ILE 65 -10.304 -0.364 3.378 547 2HD1 ILE 65 2HD1 ILE 65 -11.610 -0.766 4.492 548 3HD1 ILE 65 3HD1 ILE 65 -10.389 -1.977 4.088 549 H LYS 66 H LYS 66 -10.079 4.164 5.681 550 HA LYS 66 HA LYS 66 -12.770 4.422 4.723 551 1HB LYS 66 2HB LYS 66 -11.757 5.293 6.968 552 2HB LYS 66 1HB LYS 66 -11.226 6.665 6.002 553 1HG LYS 66 2HG LYS 66 -13.277 7.298 6.971 554 2HG LYS 66 1HG LYS 66 -13.632 6.927 5.282 555 1HD LYS 66 2HD LYS 66 -14.273 4.609 6.064 556 2HD LYS 66 1HD LYS 66 -14.182 5.234 7.710 557 1HE LYS 66 2HE LYS 66 -16.458 5.349 7.060 558 2HE LYS 66 1HE LYS 66 -15.837 7.000 7.016 559 1HZ LYS 66 1HZ LYS 66 -15.631 6.864 4.640 560 2HZ LYS 66 2HZ LYS 66 -17.211 6.423 5.072 561 3HZ LYS 66 3HZ LYS 66 -16.088 5.230 4.646 562 H LYS 67 H LYS 67 -9.832 4.856 3.362 563 HA LYS 67 HA LYS 67 -10.571 7.181 1.765 564 1HB LYS 67 2HB LYS 67 -7.997 5.664 2.067 565 2HB LYS 67 1HB LYS 67 -8.258 6.726 0.692 566 1HG LYS 67 2HG LYS 67 -7.055 7.955 2.317 567 2HG LYS 67 1HG LYS 67 -8.705 8.576 2.316 568 1HD LYS 67 2HD LYS 67 -9.202 7.163 4.277 569 2HD LYS 67 1HD LYS 67 -7.518 6.634 4.293 570 1HE LYS 67 2HE LYS 67 -7.852 8.394 5.922 571 2HE LYS 67 1HE LYS 67 -6.809 8.965 4.621 572 1HZ LYS 67 1HZ LYS 67 -8.608 10.171 3.672 573 2HZ LYS 67 2HZ LYS 67 -8.552 10.569 5.318 574 3HZ LYS 67 3HZ LYS 67 -9.727 9.489 4.743 575 H VAL 68 H VAL 68 -9.694 3.788 1.450 576 HA VAL 68 HA VAL 68 -10.255 3.599 -1.327 577 HB VAL 68 HB VAL 68 -10.471 1.270 0.575 578 1HG1 VAL 68 1HG1 VAL 68 -9.508 1.526 -2.257 579 2HG1 VAL 68 2HG1 VAL 68 -11.040 0.832 -1.720 580 3HG1 VAL 68 3HG1 VAL 68 -9.518 0.040 -1.310 581 1HG2 VAL 68 1HG2 VAL 68 -8.048 0.960 0.383 582 2HG2 VAL 68 2HG2 VAL 68 -8.468 2.444 1.241 583 3HG2 VAL 68 3HG2 VAL 68 -7.929 2.517 -0.436 584 H GLU 69 H GLU 69 -12.132 3.635 1.542 585 HA GLU 69 HA GLU 69 -14.422 2.298 0.382 586 1HB GLU 69 2HB GLU 69 -13.820 1.993 2.747 587 2HB GLU 69 1HB GLU 69 -14.068 3.711 3.029 588 1HG GLU 69 2HG GLU 69 -16.415 3.470 2.451 589 2HG GLU 69 1HG GLU 69 -16.176 1.745 2.182 590 H ARG 70 H ARG 70 -13.152 5.361 0.143 591 HA ARG 70 HA ARG 70 -15.605 6.856 0.168 592 1HB ARG 70 2HB ARG 70 -13.642 8.097 0.666 593 2HB ARG 70 1HB ARG 70 -12.818 7.504 -0.771 594 1HG ARG 70 2HG ARG 70 -14.303 8.783 -2.195 595 2HG ARG 70 1HG ARG 70 -15.222 9.326 -0.789 596 1HD ARG 70 2HD ARG 70 -12.284 9.857 -1.135 597 2HD ARG 70 1HD ARG 70 -13.531 10.955 -1.725 598 HE ARG 70 HE ARG 70 -14.278 11.126 0.624 599 1HH1 ARG 70 1HH1 ARG 70 -11.019 10.063 -0.061 600 2HH1 ARG 70 2HH1 ARG 70 -10.377 10.652 1.445 601 1HH2 ARG 70 1HH2 ARG 70 -13.454 11.917 2.588 602 2HH2 ARG 70 2HH2 ARG 70 -11.769 11.702 2.965 603 H LYS 71 H LYS 71 -17.083 6.263 -1.246 604 HA LYS 71 HA LYS 71 -18.193 5.964 -3.192 605 1HB LYS 71 2HB LYS 71 -15.763 7.303 -4.392 606 2HB LYS 71 1HB LYS 71 -17.236 6.940 -5.279 607 1HG LYS 71 2HG LYS 71 -17.974 8.371 -2.951 608 2HG LYS 71 1HG LYS 71 -16.620 9.220 -3.702 609 1HD LYS 71 2HD LYS 71 -19.180 8.388 -5.071 610 2HD LYS 71 1HD LYS 71 -18.756 10.027 -4.571 611 1HE LYS 71 2HE LYS 71 -17.205 8.370 -6.557 612 2HE LYS 71 1HE LYS 71 -18.390 9.601 -6.983 613 1HZ LYS 71 1HZ LYS 71 -15.936 10.121 -5.390 614 2HZ LYS 71 2HZ LYS 71 -17.029 11.280 -5.985 615 3HZ LYS 71 3HZ LYS 71 -16.068 10.384 -7.059 616 H ASN 72 H ASN 72 -17.729 5.084 -5.607 617 HA ASN 72 HA ASN 72 -15.699 3.045 -5.724 618 1HB ASN 72 2HB ASN 72 -17.383 1.849 -4.432 619 2HB ASN 72 1HB ASN 72 -18.634 2.303 -5.584 620 1HD2 ASN 72 1HD2 ASN 72 -18.820 1.199 -7.491 621 2HD2 ASN 72 2HD2 ASN 72 -17.939 -0.248 -7.837 622 H PHE 73 H PHE 73 -15.176 2.596 -7.800 623 HA PHE 73 HA PHE 73 -16.640 4.038 -9.867 624 1HB PHE 73 2HB PHE 73 -14.138 4.228 -9.676 625 2HB PHE 73 1HB PHE 73 -14.031 2.525 -10.113 626 HD1 PHE 73 1HD PHE 73 -14.172 1.833 -12.367 627 HD2 PHE 73 2HD PHE 73 -15.068 5.855 -11.314 628 HE1 PHE 73 1HE PHE 73 -14.174 2.453 -14.747 629 HE2 PHE 73 2HE PHE 73 -15.074 6.484 -13.693 630 HZ PHE 73 HZ PHE 73 -14.630 4.783 -15.414 Start of MODEL 2 1 1H PHE 1 1HT PHE 1 14.408 -19.026 -8.417 2 2H PHE 1 2HT PHE 1 12.930 -18.327 -8.862 3 3H PHE 1 3HT PHE 1 13.449 -19.752 -9.618 4 HA PHE 1 HA PHE 1 11.765 -20.301 -8.058 5 1HB PHE 1 2HB PHE 1 14.538 -20.999 -7.056 6 2HB PHE 1 1HB PHE 1 13.062 -21.777 -6.497 7 HD1 PHE 1 1HD PHE 1 11.718 -23.137 -8.086 8 HD2 PHE 1 2HD PHE 1 15.570 -21.623 -9.086 9 HE1 PHE 1 1HE PHE 1 11.878 -24.764 -9.925 10 HE2 PHE 1 2HE PHE 1 15.733 -23.243 -10.930 11 HZ PHE 1 HZ PHE 1 13.885 -24.817 -11.351 12 HA PRO 2 HA PRO 2 11.320 -17.140 -4.935 13 1HB PRO 2 2HB PRO 2 9.089 -18.880 -4.064 14 2HB PRO 2 1HB PRO 2 9.070 -17.175 -4.529 15 1HG PRO 2 2HG PRO 2 8.057 -19.063 -6.132 16 2HG PRO 2 1HG PRO 2 8.915 -17.655 -6.787 17 1HD PRO 2 2HD PRO 2 9.875 -20.468 -6.434 18 2HD PRO 2 1HD PRO 2 10.162 -19.337 -7.774 19 H MET 3 H MET 3 12.606 -17.127 -3.228 20 HA MET 3 HA MET 3 13.540 -19.345 -1.817 21 1HB MET 3 2HB MET 3 13.301 -16.474 -0.896 22 2HB MET 3 1HB MET 3 14.258 -17.712 -0.093 23 1HG MET 3 2HG MET 3 14.689 -16.739 -2.909 24 2HG MET 3 1HG MET 3 15.614 -16.226 -1.499 25 1HE MET 3 1HE MET 3 15.981 -18.786 0.174 26 2HE MET 3 2HE MET 3 17.356 -17.755 -0.220 27 3HE MET 3 3HE MET 3 17.456 -19.500 -0.473 28 H PHE 4 H PHE 4 12.606 -20.629 -0.352 29 HA PHE 4 HA PHE 4 9.873 -20.115 0.374 30 1HB PHE 4 2HB PHE 4 10.945 -22.381 -0.251 31 2HB PHE 4 1HB PHE 4 11.527 -22.406 1.409 32 HD1 PHE 4 1HD PHE 4 8.497 -22.314 -0.692 33 HD2 PHE 4 2HD PHE 4 10.092 -23.001 3.194 34 HE1 PHE 4 1HE PHE 4 6.336 -23.247 0.026 35 HE2 PHE 4 2HE PHE 4 7.936 -23.931 3.920 36 HZ PHE 4 HZ PHE 4 6.055 -24.056 2.340 37 H LYS 5 H LYS 5 10.736 -18.112 1.483 38 HA LYS 5 HA LYS 5 10.695 -18.648 4.353 39 1HB LYS 5 2HB LYS 5 12.718 -16.837 3.009 40 2HB LYS 5 1HB LYS 5 12.394 -16.839 4.734 41 1HG LYS 5 2HG LYS 5 13.409 -19.210 3.181 42 2HG LYS 5 1HG LYS 5 14.418 -18.101 4.110 43 1HD LYS 5 2HD LYS 5 13.289 -18.721 6.156 44 2HD LYS 5 1HD LYS 5 12.155 -19.733 5.260 45 1HE LYS 5 2HE LYS 5 15.134 -20.165 5.454 46 2HE LYS 5 1HE LYS 5 13.902 -21.066 6.336 47 1HZ LYS 5 1HZ LYS 5 14.596 -22.316 4.433 48 2HZ LYS 5 2HZ LYS 5 14.287 -21.018 3.389 49 3HZ LYS 5 3HZ LYS 5 13.004 -21.793 4.180 50 H ARG 6 H ARG 6 11.297 -15.718 2.469 51 HA ARG 6 HA ARG 6 8.560 -14.786 3.041 52 1HB ARG 6 2HB ARG 6 10.969 -12.962 2.932 53 2HB ARG 6 1HB ARG 6 9.346 -12.570 3.482 54 1HG ARG 6 2HG ARG 6 11.227 -14.467 4.873 55 2HG ARG 6 1HG ARG 6 10.976 -12.781 5.319 56 1HD ARG 6 2HD ARG 6 8.768 -14.828 5.229 57 2HD ARG 6 1HD ARG 6 9.699 -14.469 6.681 58 HE ARG 6 HE ARG 6 8.741 -12.045 5.743 59 1HH1 ARG 6 1HH1 ARG 6 7.398 -15.057 6.935 60 2HH1 ARG 6 2HH1 ARG 6 5.983 -14.309 7.603 61 1HH2 ARG 6 1HH2 ARG 6 6.881 -11.066 6.630 62 2HH2 ARG 6 2HH2 ARG 6 5.679 -12.042 7.427 63 H GLY 7 H GLY 7 7.714 -15.141 1.013 64 1HA GLY 7 2HA GLY 7 9.447 -14.496 -1.271 65 2HA GLY 7 1HA GLY 7 8.132 -15.654 -1.293 66 H ARG 8 H ARG 8 5.909 -14.673 -0.975 67 HA ARG 8 HA ARG 8 5.808 -12.531 -2.984 68 1HB ARG 8 2HB ARG 8 4.791 -14.769 -3.457 69 2HB ARG 8 1HB ARG 8 3.642 -14.473 -2.163 70 1HG ARG 8 2HG ARG 8 2.587 -14.004 -4.249 71 2HG ARG 8 1HG ARG 8 2.843 -12.477 -3.399 72 1HD ARG 8 2HD ARG 8 4.852 -12.083 -4.752 73 2HD ARG 8 1HD ARG 8 4.564 -13.597 -5.609 74 HE ARG 8 HE ARG 8 2.352 -11.746 -5.695 75 1HH1 ARG 8 1HH1 ARG 8 5.281 -12.857 -7.249 76 2HH1 ARG 8 2HH1 ARG 8 4.928 -12.094 -8.765 77 1HH2 ARG 8 1HH2 ARG 8 1.849 -10.768 -7.703 78 2HH2 ARG 8 2HH2 ARG 8 2.967 -10.924 -9.036 79 H CYS 9 H CYS 9 5.560 -12.736 0.278 80 HA CYS 9 HA CYS 9 3.243 -10.937 0.454 81 1HB CYS 9 2HB CYS 9 3.271 -11.590 2.897 82 2HB CYS 9 1HB CYS 9 2.902 -12.885 1.762 83 H LEU 10 H LEU 10 5.926 -9.998 -0.286 84 HA LEU 10 HA LEU 10 6.016 -7.835 1.617 85 1HB LEU 10 2HB LEU 10 7.540 -9.600 2.562 86 2HB LEU 10 1HB LEU 10 8.536 -9.411 1.132 87 HG LEU 10 HG LEU 10 8.826 -6.998 1.745 88 1HD1 LEU 10 1HD1 LEU 10 6.874 -6.745 3.168 89 2HD1 LEU 10 2HD1 LEU 10 8.346 -6.355 4.058 90 3HD1 LEU 10 3HD1 LEU 10 7.542 -7.904 4.317 91 1HD2 LEU 10 1HD2 LEU 10 10.469 -7.453 3.495 92 2HD2 LEU 10 2HD2 LEU 10 10.544 -8.658 2.210 93 3HD2 LEU 10 3HD2 LEU 10 9.765 -9.049 3.744 94 H CYS 11 H CYS 11 6.080 -6.068 0.413 95 HA CYS 11 HA CYS 11 7.742 -6.096 -2.006 96 1HB CYS 11 2HB CYS 11 5.470 -4.291 -1.192 97 2HB CYS 11 1HB CYS 11 6.542 -3.929 -2.541 98 H ILE 12 H ILE 12 6.755 -3.489 0.222 99 HA ILE 12 HA ILE 12 7.929 -1.910 1.329 100 HB ILE 12 HB ILE 12 10.211 -3.842 0.931 101 1HG1 ILE 12 2HG1 ILE 12 8.571 -3.058 3.352 102 2HG1 ILE 12 1HG1 ILE 12 8.479 -4.587 2.480 103 1HG2 ILE 12 1HG2 ILE 12 10.191 -1.261 2.472 104 2HG2 ILE 12 2HG2 ILE 12 11.124 -1.607 1.017 105 3HG2 ILE 12 3HG2 ILE 12 11.476 -2.467 2.516 106 1HD1 ILE 12 1HD1 ILE 12 9.735 -4.812 4.547 107 2HD1 ILE 12 2HD1 ILE 12 10.864 -3.570 4.002 108 3HD1 ILE 12 3HD1 ILE 12 10.762 -5.107 3.141 109 H GLY 13 H GLY 13 8.258 0.009 0.412 110 1HA GLY 13 2HA GLY 13 10.144 0.843 -1.295 111 2HA GLY 13 1HA GLY 13 9.055 0.024 -2.368 112 HA PRO 14 HA PRO 14 6.426 3.500 -2.563 113 1HB PRO 14 2HB PRO 14 3.961 2.424 -2.519 114 2HB PRO 14 1HB PRO 14 5.082 2.073 -3.841 115 1HG PRO 14 2HG PRO 14 4.334 0.407 -1.485 116 2HG PRO 14 1HG PRO 14 4.680 -0.091 -3.152 117 1HD PRO 14 2HD PRO 14 6.477 -0.224 -1.019 118 2HD PRO 14 1HD PRO 14 6.925 -0.266 -2.732 119 H GLY 15 H GLY 15 7.322 3.088 0.151 120 1HA GLY 15 2HA GLY 15 5.030 3.102 1.883 121 2HA GLY 15 1HA GLY 15 6.702 3.353 2.361 122 H VAL 16 H VAL 16 4.133 5.007 0.505 123 HA VAL 16 HA VAL 16 5.232 7.572 1.480 124 HB VAL 16 HB VAL 16 4.296 8.580 -0.581 125 1HG1 VAL 16 1HG1 VAL 16 5.927 7.651 -2.142 126 2HG1 VAL 16 2HG1 VAL 16 6.155 6.262 -1.079 127 3HG1 VAL 16 3HG1 VAL 16 6.624 7.874 -0.537 128 1HG2 VAL 16 1HG2 VAL 16 3.522 7.141 -2.401 129 2HG2 VAL 16 2HG2 VAL 16 2.490 6.976 -0.980 130 3HG2 VAL 16 3HG2 VAL 16 3.679 5.728 -1.356 131 H LYS 17 H LYS 17 3.058 9.117 0.477 132 HA LYS 17 HA LYS 17 0.522 8.292 1.303 133 1HB LYS 17 2HB LYS 17 1.505 8.360 3.567 134 2HB LYS 17 1HB LYS 17 2.005 10.022 3.306 135 1HG LYS 17 2HG LYS 17 -0.274 10.758 3.247 136 2HG LYS 17 1HG LYS 17 -0.854 9.092 3.321 137 1HD LYS 17 2HD LYS 17 0.027 8.817 5.534 138 2HD LYS 17 1HD LYS 17 0.836 10.384 5.459 139 1HE LYS 17 2HE LYS 17 -2.149 9.972 5.340 140 2HE LYS 17 1HE LYS 17 -1.253 10.414 6.794 141 1HZ LYS 17 1HZ LYS 17 -2.228 12.351 5.723 142 2HZ LYS 17 2HZ LYS 17 -1.380 12.016 4.292 143 3HZ LYS 17 3HZ LYS 17 -0.533 12.441 5.695 144 H ALA 18 H ALA 18 -0.216 9.333 -0.518 145 HA ALA 18 HA ALA 18 -0.250 12.217 -0.567 146 1HB ALA 18 1HB ALA 18 2.053 11.665 -1.347 147 2HB ALA 18 2HB ALA 18 1.096 12.549 -2.531 148 3HB ALA 18 3HB ALA 18 1.337 10.811 -2.715 149 H VAL 19 H VAL 19 -0.595 12.469 -3.387 150 HA VAL 19 HA VAL 19 -2.146 12.401 -5.010 151 HB VAL 19 HB VAL 19 -2.690 10.245 -5.966 152 1HG1 VAL 19 1HG1 VAL 19 -0.396 9.440 -6.325 153 2HG1 VAL 19 2HG1 VAL 19 0.152 10.449 -4.984 154 3HG1 VAL 19 3HG1 VAL 19 -0.522 11.195 -6.434 155 1HG2 VAL 19 1HG2 VAL 19 -1.476 9.068 -3.470 156 2HG2 VAL 19 2HG2 VAL 19 -1.871 8.160 -4.931 157 3HG2 VAL 19 3HG2 VAL 19 -3.154 8.930 -3.997 158 H LYS 20 H LYS 20 -4.300 10.665 -5.528 159 HA LYS 20 HA LYS 20 -6.239 12.024 -3.816 160 1HB LYS 20 2HB LYS 20 -6.493 10.648 -6.483 161 2HB LYS 20 1HB LYS 20 -7.832 11.402 -5.629 162 1HG LYS 20 2HG LYS 20 -5.355 12.879 -6.482 163 2HG LYS 20 1HG LYS 20 -6.820 12.768 -7.457 164 1HD LYS 20 2HD LYS 20 -6.660 13.924 -4.674 165 2HD LYS 20 1HD LYS 20 -6.705 14.863 -6.166 166 1HE LYS 20 2HE LYS 20 -8.855 13.048 -5.085 167 2HE LYS 20 1HE LYS 20 -8.911 14.805 -5.206 168 1HZ LYS 20 1HZ LYS 20 -10.124 14.082 -7.024 169 2HZ LYS 20 2HZ LYS 20 -9.077 12.789 -7.358 170 3HZ LYS 20 3HZ LYS 20 -8.596 14.383 -7.706 171 H VAL 21 H VAL 21 -6.962 10.879 -2.136 172 HA VAL 21 HA VAL 21 -6.640 8.044 -1.923 173 HB VAL 21 HB VAL 21 -7.754 8.369 0.320 174 1HG1 VAL 21 1HG1 VAL 21 -5.346 10.067 -0.337 175 2HG1 VAL 21 2HG1 VAL 21 -5.338 8.356 0.088 176 3HG1 VAL 21 3HG1 VAL 21 -5.822 9.557 1.284 177 1HG2 VAL 21 1HG2 VAL 21 -9.088 10.341 -0.231 178 2HG2 VAL 21 2HG2 VAL 21 -7.615 11.277 -0.482 179 3HG2 VAL 21 3HG2 VAL 21 -8.010 10.672 1.127 180 H ALA 22 H ALA 22 -8.393 8.766 -3.968 181 HA ALA 22 HA ALA 22 -10.483 6.864 -3.325 182 1HB ALA 22 1HB ALA 22 -11.148 9.586 -4.463 183 2HB ALA 22 2HB ALA 22 -11.601 8.990 -2.866 184 3HB ALA 22 3HB ALA 22 -12.273 8.236 -4.311 185 H ASP 23 H ASP 23 -8.989 9.019 -5.642 186 HA ASP 23 HA ASP 23 -9.638 7.597 -7.998 187 1HB ASP 23 2HB ASP 23 -7.436 9.561 -7.341 188 2HB ASP 23 1HB ASP 23 -7.723 8.951 -8.960 189 H ILE 24 H ILE 24 -6.531 7.870 -6.265 190 HA ILE 24 HA ILE 24 -5.981 5.067 -6.663 191 HB ILE 24 HB ILE 24 -3.545 5.960 -7.407 192 1HG1 ILE 24 2HG1 ILE 24 -3.984 7.559 -9.345 193 2HG1 ILE 24 1HG1 ILE 24 -5.561 7.866 -8.632 194 1HG2 ILE 24 1HG2 ILE 24 -4.087 5.132 -9.618 195 2HG2 ILE 24 2HG2 ILE 24 -5.811 5.328 -9.299 196 3HG2 ILE 24 3HG2 ILE 24 -4.878 4.138 -8.390 197 1HD1 ILE 24 1HD1 ILE 24 -2.908 8.392 -7.315 198 2HD1 ILE 24 2HD1 ILE 24 -4.495 8.726 -6.624 199 3HD1 ILE 24 3HD1 ILE 24 -3.956 9.600 -8.060 200 H GLU 25 H GLU 25 -4.033 4.433 -5.513 201 HA GLU 25 HA GLU 25 -3.288 4.069 -3.445 202 1HB GLU 25 2HB GLU 25 -2.164 6.261 -3.766 203 2HB GLU 25 1HB GLU 25 -3.533 7.028 -2.959 204 1HG GLU 25 2HG GLU 25 -3.043 5.988 -0.905 205 2HG GLU 25 1HG GLU 25 -1.954 4.826 -1.662 206 H LYS 26 H LYS 26 -5.218 3.048 -3.458 207 HA LYS 26 HA LYS 26 -6.572 3.496 -1.003 208 1HB LYS 26 2HB LYS 26 -8.832 3.271 -1.838 209 2HB LYS 26 1HB LYS 26 -8.084 4.646 -2.626 210 1HG LYS 26 2HG LYS 26 -8.274 1.940 -3.916 211 2HG LYS 26 1HG LYS 26 -9.535 3.164 -4.055 212 1HD LYS 26 2HD LYS 26 -7.840 4.717 -4.996 213 2HD LYS 26 1HD LYS 26 -6.670 3.394 -4.964 214 1HE LYS 26 2HE LYS 26 -7.650 3.624 -7.179 215 2HE LYS 26 1HE LYS 26 -8.108 2.087 -6.447 216 1HZ LYS 26 1HZ LYS 26 -9.968 3.216 -7.560 217 2HZ LYS 26 2HZ LYS 26 -9.823 4.513 -6.477 218 3HZ LYS 26 3HZ LYS 26 -10.258 2.979 -5.905 219 H ALA 27 H ALA 27 -6.252 1.641 -0.049 220 HA ALA 27 HA ALA 27 -5.253 -0.554 -1.631 221 1HB ALA 27 1HB ALA 27 -3.879 -0.664 0.065 222 2HB ALA 27 2HB ALA 27 -5.202 -1.313 1.037 223 3HB ALA 27 3HB ALA 27 -4.871 0.422 1.038 224 H SER 28 H SER 28 -6.309 -2.231 -2.183 225 HA SER 28 HA SER 28 -8.840 -2.869 -0.807 226 1HB SER 28 2HB SER 28 -7.998 -2.969 -3.681 227 2HB SER 28 1HB SER 28 -9.453 -3.775 -3.105 228 HG SER 28 HG SER 28 -8.949 -1.019 -2.678 229 H ILE 29 H ILE 29 -6.907 -4.218 0.362 230 HA ILE 29 HA ILE 29 -8.002 -6.780 -0.120 231 HB ILE 29 HB ILE 29 -5.986 -6.728 -1.711 232 1HG1 ILE 29 2HG1 ILE 29 -6.140 -8.879 0.419 233 2HG1 ILE 29 1HG1 ILE 29 -7.137 -8.791 -1.029 234 1HG2 ILE 29 1HG2 ILE 29 -3.823 -7.227 -0.683 235 2HG2 ILE 29 2HG2 ILE 29 -4.528 -6.963 0.912 236 3HG2 ILE 29 3HG2 ILE 29 -4.418 -5.628 -0.237 237 1HD1 ILE 29 1HD1 ILE 29 -5.130 -9.061 -2.407 238 2HD1 ILE 29 2HD1 ILE 29 -5.379 -10.417 -1.307 239 3HD1 ILE 29 3HD1 ILE 29 -4.159 -9.198 -0.941 240 H MET 30 H MET 30 -7.612 -8.196 1.752 241 HA MET 30 HA MET 30 -5.575 -7.260 3.578 242 1HB MET 30 2HB MET 30 -7.067 -7.489 5.575 243 2HB MET 30 1HB MET 30 -7.419 -6.111 4.537 244 1HG MET 30 2HG MET 30 -9.292 -7.340 3.555 245 2HG MET 30 1HG MET 30 -8.931 -8.717 4.594 246 1HE MET 30 1HE MET 30 -9.093 -8.630 7.261 247 2HE MET 30 2HE MET 30 -9.612 -7.202 8.159 248 3HE MET 30 3HE MET 30 -8.078 -7.188 7.292 249 H TYR 31 H TYR 31 -4.636 -9.063 2.587 250 HA TYR 31 HA TYR 31 -5.094 -11.518 4.051 251 1HB TYR 31 2HB TYR 31 -5.215 -11.447 1.023 252 2HB TYR 31 1HB TYR 31 -5.074 -12.911 1.980 253 HD1 TYR 31 1HD TYR 31 -7.327 -10.656 0.434 254 HD2 TYR 31 2HD TYR 31 -6.960 -13.335 3.714 255 HE1 TYR 31 1HE TYR 31 -9.777 -10.777 0.601 256 HE2 TYR 31 2HE TYR 31 -9.408 -13.464 3.888 257 HH TYR 31 HH TYR 31 -11.487 -12.430 1.493 258 HA PRO 32 HA PRO 32 -0.694 -11.872 4.124 259 1HB PRO 32 2HB PRO 32 -0.451 -14.554 3.430 260 2HB PRO 32 1HB PRO 32 -0.760 -13.923 5.049 261 1HG PRO 32 2HG PRO 32 -2.693 -14.970 3.021 262 2HG PRO 32 1HG PRO 32 -2.649 -15.239 4.778 263 1HD PRO 32 2HD PRO 32 -4.378 -13.503 3.752 264 2HD PRO 32 1HD PRO 32 -3.494 -13.107 5.239 265 H SER 33 H SER 33 -1.995 -11.412 1.276 266 HA SER 33 HA SER 33 -1.448 -11.528 -0.927 267 1HB SER 33 2HB SER 33 0.678 -10.487 -0.037 268 2HB SER 33 1HB SER 33 1.373 -12.104 0.042 269 HG SER 33 HG SER 33 1.962 -11.138 -1.897 270 H ASN 34 H ASN 34 -1.884 -13.881 0.934 271 HA ASN 34 HA ASN 34 -2.105 -16.124 0.906 272 1HB ASN 34 2HB ASN 34 -2.019 -15.622 -2.076 273 2HB ASN 34 1HB ASN 34 -2.436 -17.176 -1.360 274 1HD2 ASN 34 1HD2 ASN 34 -4.498 -17.117 -2.262 275 2HD2 ASN 34 2HD2 ASN 34 -5.744 -16.081 -1.653 276 H ASN 35 H ASN 35 0.519 -15.201 1.342 277 HA ASN 35 HA ASN 35 1.931 -17.648 0.623 278 1HB ASN 35 2HB ASN 35 2.458 -16.041 -1.202 279 2HB ASN 35 1HB ASN 35 3.040 -14.894 -0.005 280 1HD2 ASN 35 1HD2 ASN 35 3.642 -17.993 -1.527 281 2HD2 ASN 35 2HD2 ASN 35 5.328 -18.065 -1.137 282 H CYS 36 H CYS 36 0.782 -16.120 3.001 283 HA CYS 36 HA CYS 36 3.118 -16.142 4.712 284 1HB CYS 36 2HB CYS 36 2.278 -13.779 3.368 285 2HB CYS 36 1HB CYS 36 1.952 -13.580 5.089 286 H ASP 37 H ASP 37 2.399 -14.885 6.869 287 HA ASP 37 HA ASP 37 -0.294 -15.837 7.619 288 1HB ASP 37 2HB ASP 37 0.511 -15.997 9.895 289 2HB ASP 37 1HB ASP 37 1.611 -16.890 8.849 290 H LYS 38 H LYS 38 1.302 -13.213 6.696 291 HA LYS 38 HA LYS 38 0.340 -11.291 8.646 292 1HB LYS 38 2HB LYS 38 1.443 -9.619 7.255 293 2HB LYS 38 1HB LYS 38 2.545 -10.938 7.573 294 1HG LYS 38 2HG LYS 38 2.200 -11.836 5.365 295 2HG LYS 38 1HG LYS 38 0.931 -10.653 5.056 296 1HD LYS 38 2HD LYS 38 3.818 -9.976 5.591 297 2HD LYS 38 1HD LYS 38 3.092 -10.086 3.987 298 1HE LYS 38 2HE LYS 38 1.444 -8.339 4.725 299 2HE LYS 38 1HE LYS 38 2.410 -8.141 6.187 300 1HZ LYS 38 1HZ LYS 38 4.327 -7.678 4.655 301 2HZ LYS 38 2HZ LYS 38 3.117 -6.497 4.683 302 3HZ LYS 38 3HZ LYS 38 3.210 -7.584 3.382 303 H ILE 39 H ILE 39 -0.889 -9.392 7.737 304 HA ILE 39 HA ILE 39 -2.513 -10.287 5.460 305 HB ILE 39 HB ILE 39 -4.324 -8.788 6.194 306 1HG1 ILE 39 2HG1 ILE 39 -2.757 -8.616 8.785 307 2HG1 ILE 39 1HG1 ILE 39 -2.939 -7.293 7.640 308 1HG2 ILE 39 1HG2 ILE 39 -3.517 -10.932 8.152 309 2HG2 ILE 39 2HG2 ILE 39 -4.344 -11.186 6.613 310 3HG2 ILE 39 3HG2 ILE 39 -5.151 -10.306 7.916 311 1HD1 ILE 39 1HD1 ILE 39 -5.357 -7.322 8.006 312 2HD1 ILE 39 2HD1 ILE 39 -4.460 -7.037 9.499 313 3HD1 ILE 39 3HD1 ILE 39 -5.154 -8.625 9.174 314 H GLU 40 H GLU 40 -1.888 -9.426 3.729 315 HA GLU 40 HA GLU 40 -0.253 -7.030 3.710 316 1HB GLU 40 2HB GLU 40 0.496 -9.106 2.607 317 2HB GLU 40 1HB GLU 40 -0.928 -9.084 1.586 318 1HG GLU 40 2HG GLU 40 1.002 -8.362 0.365 319 2HG GLU 40 1HG GLU 40 -0.137 -7.026 0.540 320 H VAL 41 H VAL 41 -0.634 -5.397 2.004 321 HA VAL 41 HA VAL 41 -3.493 -5.130 1.374 322 HB VAL 41 HB VAL 41 -2.004 -3.533 3.185 323 1HG1 VAL 41 1HG1 VAL 41 -2.905 -1.965 0.770 324 2HG1 VAL 41 2HG1 VAL 41 -1.235 -2.188 1.296 325 3HG1 VAL 41 3HG1 VAL 41 -2.364 -1.280 2.303 326 1HG2 VAL 41 1HG2 VAL 41 -4.157 -2.453 3.547 327 2HG2 VAL 41 2HG2 VAL 41 -4.343 -4.204 3.412 328 3HG2 VAL 41 3HG2 VAL 41 -4.770 -3.163 2.054 329 H ILE 42 H ILE 42 -3.997 -4.219 -0.628 330 HA ILE 42 HA ILE 42 -1.668 -3.801 -2.370 331 HB ILE 42 HB ILE 42 -4.413 -4.808 -3.176 332 1HG1 ILE 42 2HG1 ILE 42 -1.723 -6.217 -3.084 333 2HG1 ILE 42 1HG1 ILE 42 -3.052 -6.485 -1.962 334 1HG2 ILE 42 1HG2 ILE 42 -1.902 -4.263 -4.769 335 2HG2 ILE 42 2HG2 ILE 42 -3.469 -3.470 -4.936 336 3HG2 ILE 42 3HG2 ILE 42 -3.287 -5.166 -5.386 337 1HD1 ILE 42 1HD1 ILE 42 -3.088 -7.055 -4.915 338 2HD1 ILE 42 2HD1 ILE 42 -4.428 -7.317 -3.799 339 3HD1 ILE 42 3HD1 ILE 42 -2.938 -8.245 -3.620 340 H ILE 43 H ILE 43 -1.411 -1.703 -2.455 341 HA ILE 43 HA ILE 43 -3.744 -0.030 -3.132 342 HB ILE 43 HB ILE 43 -1.293 1.377 -2.372 343 1HG1 ILE 43 2HG1 ILE 43 -2.843 0.079 -0.130 344 2HG1 ILE 43 1HG1 ILE 43 -1.315 -0.561 -0.731 345 1HG2 ILE 43 1HG2 ILE 43 -3.357 2.507 -2.836 346 2HG2 ILE 43 2HG2 ILE 43 -2.890 2.765 -1.152 347 3HG2 ILE 43 3HG2 ILE 43 -4.170 1.614 -1.546 348 1HD1 ILE 43 1HD1 ILE 43 -0.239 1.597 -0.191 349 2HD1 ILE 43 2HD1 ILE 43 -0.909 0.770 1.225 350 3HD1 ILE 43 3HD1 ILE 43 -1.767 2.140 0.515 351 H THR 44 H THR 44 -3.283 1.681 -4.556 352 HA THR 44 HA THR 44 -0.853 1.363 -6.177 353 HB THR 44 HB THR 44 -1.975 2.645 -7.901 354 HG1 THR 44 1HG THR 44 -3.499 3.844 -7.054 355 1HG2 THR 44 1HG2 THR 44 -3.615 0.961 -8.647 356 2HG2 THR 44 2HG2 THR 44 -3.603 0.253 -7.031 357 3HG2 THR 44 3HG2 THR 44 -2.147 0.209 -8.025 358 H LEU 45 H LEU 45 0.099 3.483 -6.799 359 HA LEU 45 HA LEU 45 -1.329 5.774 -5.771 360 1HB LEU 45 2HB LEU 45 0.613 6.923 -4.956 361 2HB LEU 45 1HB LEU 45 0.532 5.372 -4.154 362 HG LEU 45 HG LEU 45 2.286 5.750 -6.555 363 1HD1 LEU 45 1HD1 LEU 45 2.973 6.391 -3.692 364 2HD1 LEU 45 2HD1 LEU 45 2.873 7.541 -5.026 365 3HD1 LEU 45 3HD1 LEU 45 4.125 6.298 -5.023 366 1HD2 LEU 45 1HD2 LEU 45 2.460 3.945 -4.148 367 2HD2 LEU 45 2HD2 LEU 45 3.569 3.958 -5.520 368 3HD2 LEU 45 3HD2 LEU 45 1.887 3.476 -5.747 369 H LYS 46 H LYS 46 -1.975 6.529 -7.744 370 HA LYS 46 HA LYS 46 -0.154 6.107 -9.963 371 1HB LYS 46 2HB LYS 46 -2.657 5.629 -10.074 372 2HB LYS 46 1HB LYS 46 -2.861 7.368 -10.229 373 1HG LYS 46 2HG LYS 46 -2.863 6.295 -12.405 374 2HG LYS 46 1HG LYS 46 -1.458 7.352 -12.230 375 1HD LYS 46 2HD LYS 46 -0.070 5.407 -11.681 376 2HD LYS 46 1HD LYS 46 -1.473 4.354 -11.864 377 1HE LYS 46 2HE LYS 46 -0.112 4.275 -13.862 378 2HE LYS 46 1HE LYS 46 -1.660 5.041 -14.215 379 1HZ LYS 46 1HZ LYS 46 -0.451 7.218 -13.868 380 2HZ LYS 46 2HZ LYS 46 -0.052 6.352 -15.261 381 3HZ LYS 46 3HZ LYS 46 0.994 6.332 -13.929 382 H GLU 47 H GLU 47 1.229 7.637 -8.767 383 HA GLU 47 HA GLU 47 0.796 10.414 -9.574 384 1HB GLU 47 2HB GLU 47 1.581 10.029 -7.300 385 2HB GLU 47 1HB GLU 47 2.913 9.049 -7.890 386 1HG GLU 47 2HG GLU 47 3.869 11.040 -8.964 387 2HG GLU 47 1HG GLU 47 2.546 12.003 -8.302 388 H ASN 48 H ASN 48 3.858 8.708 -9.430 389 HA ASN 48 HA ASN 48 3.928 8.500 -12.363 390 1HB ASN 48 2HB ASN 48 6.252 9.113 -12.429 391 2HB ASN 48 1HB ASN 48 5.413 10.366 -11.523 392 1HD2 ASN 48 1HD2 ASN 48 8.230 9.500 -11.534 393 2HD2 ASN 48 2HD2 ASN 48 8.606 9.142 -9.882 394 H LYS 49 H LYS 49 3.462 6.875 -9.791 395 HA LYS 49 HA LYS 49 5.329 4.671 -10.323 396 1HB LYS 49 2HB LYS 49 3.855 5.299 -7.760 397 2HB LYS 49 1HB LYS 49 5.020 4.003 -7.995 398 1HG LYS 49 2HG LYS 49 6.808 5.543 -8.259 399 2HG LYS 49 1HG LYS 49 5.694 6.902 -8.342 400 1HD LYS 49 2HD LYS 49 5.018 6.422 -6.005 401 2HD LYS 49 1HD LYS 49 6.260 5.171 -5.944 402 1HE LYS 49 2HE LYS 49 7.060 7.246 -4.936 403 2HE LYS 49 1HE LYS 49 7.981 6.849 -6.385 404 1HZ LYS 49 1HZ LYS 49 6.588 8.447 -7.616 405 2HZ LYS 49 2HZ LYS 49 7.475 9.179 -6.382 406 3HZ LYS 49 3HZ LYS 49 5.819 8.889 -6.170 407 H GLY 50 H GLY 50 3.836 2.730 -8.818 408 1HA GLY 50 2HA GLY 50 1.378 2.563 -10.419 409 2HA GLY 50 1HA GLY 50 2.568 1.280 -10.543 410 H GLN 51 H GLN 51 3.296 1.048 -7.811 411 HA GLN 51 HA GLN 51 0.749 -0.051 -6.832 412 1HB GLN 51 2HB GLN 51 1.992 -2.130 -6.165 413 2HB GLN 51 1HB GLN 51 1.713 -1.927 -7.886 414 1HG GLN 51 2HG GLN 51 3.997 -1.231 -8.218 415 2HG GLN 51 1HG GLN 51 4.281 -1.239 -6.478 416 1HE2 GLN 51 1HE2 GLN 51 5.962 -2.711 -6.651 417 2HE2 GLN 51 2HE2 GLN 51 5.681 -4.387 -6.996 418 H ARG 52 H ARG 52 0.703 -0.803 -4.727 419 HA ARG 52 HA ARG 52 2.657 0.298 -2.871 420 1HB ARG 52 2HB ARG 52 -0.158 1.152 -3.232 421 2HB ARG 52 1HB ARG 52 0.357 0.880 -1.579 422 1HG ARG 52 2HG ARG 52 2.196 2.486 -3.114 423 2HG ARG 52 1HG ARG 52 0.607 3.218 -2.948 424 1HD ARG 52 2HD ARG 52 1.283 2.108 -0.451 425 2HD ARG 52 1HD ARG 52 2.713 2.961 -1.023 426 HE ARG 52 HE ARG 52 0.609 4.709 -1.404 427 1HH1 ARG 52 1HH1 ARG 52 2.095 3.029 1.288 428 2HH1 ARG 52 2HH1 ARG 52 1.692 4.253 2.446 429 1HH2 ARG 52 1HH2 ARG 52 0.049 6.314 0.127 430 2HH2 ARG 52 2HH2 ARG 52 0.525 6.117 1.787 431 H CYS 53 H CYS 53 3.032 -2.142 -2.789 432 HA CYS 53 HA CYS 53 1.145 -3.280 -0.866 433 1HB CYS 53 2HB CYS 53 3.130 -5.168 -1.119 434 2HB CYS 53 1HB CYS 53 1.626 -5.158 -2.032 435 H LEU 54 H LEU 54 1.602 -3.131 1.300 436 HA LEU 54 HA LEU 54 3.976 -1.442 1.715 437 1HB LEU 54 2HB LEU 54 1.945 -0.157 1.494 438 2HB LEU 54 1HB LEU 54 1.176 -1.101 2.754 439 HG LEU 54 HG LEU 54 2.854 -0.206 4.367 440 1HD1 LEU 54 1HD1 LEU 54 3.581 1.599 2.063 441 2HD1 LEU 54 2HD1 LEU 54 4.613 0.364 2.784 442 3HD1 LEU 54 3HD1 LEU 54 4.132 1.772 3.729 443 1HD2 LEU 54 1HD2 LEU 54 0.608 0.730 4.162 444 2HD2 LEU 54 2HD2 LEU 54 1.174 1.831 2.907 445 3HD2 LEU 54 3HD2 LEU 54 1.789 1.979 4.554 446 H ASN 55 H ASN 55 1.508 -2.685 3.973 447 HA ASN 55 HA ASN 55 3.262 -2.131 6.085 448 1HB ASN 55 2HB ASN 55 1.494 -3.236 7.508 449 2HB ASN 55 1HB ASN 55 0.963 -1.893 6.510 450 1HD2 ASN 55 1HD2 ASN 55 0.699 -5.278 7.137 451 2HD2 ASN 55 2HD2 ASN 55 -0.584 -5.599 6.011 452 HA PRO 56 HA PRO 56 5.130 -6.168 6.672 453 1HB PRO 56 2HB PRO 56 7.499 -5.030 7.586 454 2HB PRO 56 1HB PRO 56 7.195 -5.549 5.927 455 1HG PRO 56 2HG PRO 56 7.571 -2.888 6.880 456 2HG PRO 56 1HG PRO 56 7.193 -3.403 5.230 457 1HD PRO 56 2HD PRO 56 5.406 -2.323 7.328 458 2HD PRO 56 1HD PRO 56 5.219 -2.308 5.561 459 H LYS 57 H LYS 57 4.855 -3.281 8.543 460 HA LYS 57 HA LYS 57 4.317 -4.750 10.986 461 1HB LYS 57 2HB LYS 57 6.605 -2.833 10.636 462 2HB LYS 57 1HB LYS 57 5.795 -2.962 12.187 463 1HG LYS 57 2HG LYS 57 7.060 -5.281 10.746 464 2HG LYS 57 1HG LYS 57 7.865 -4.317 11.987 465 1HD LYS 57 2HD LYS 57 5.849 -4.889 13.463 466 2HD LYS 57 1HD LYS 57 5.490 -6.134 12.262 467 1HE LYS 57 2HE LYS 57 6.797 -7.045 14.113 468 2HE LYS 57 1HE LYS 57 7.707 -7.103 12.602 469 1HZ LYS 57 1HZ LYS 57 8.932 -5.163 13.259 470 2HZ LYS 57 2HZ LYS 57 9.041 -6.312 14.498 471 3HZ LYS 57 3HZ LYS 57 8.000 -4.986 14.667 472 H SER 58 H SER 58 5.115 -1.394 10.161 473 HA SER 58 HA SER 58 2.719 -0.391 11.377 474 1HB SER 58 2HB SER 58 3.602 1.809 10.401 475 2HB SER 58 1HB SER 58 4.628 1.004 11.589 476 HG SER 58 HG SER 58 6.088 1.206 10.081 477 H LYS 59 H LYS 59 1.047 0.769 10.263 478 HA LYS 59 HA LYS 59 0.827 0.169 7.412 479 1HB LYS 59 2HB LYS 59 -1.506 -0.726 7.812 480 2HB LYS 59 1HB LYS 59 -0.185 -1.772 8.317 481 1HG LYS 59 2HG LYS 59 -0.500 -0.990 10.638 482 2HG LYS 59 1HG LYS 59 -1.880 -0.031 10.099 483 1HD LYS 59 2HD LYS 59 -2.651 -2.119 11.057 484 2HD LYS 59 1HD LYS 59 -2.981 -2.097 9.324 485 1HE LYS 59 2HE LYS 59 -1.088 -3.517 8.894 486 2HE LYS 59 1HE LYS 59 -0.589 -3.434 10.584 487 1HZ LYS 59 1HZ LYS 59 -2.609 -4.585 11.211 488 2HZ LYS 59 2HZ LYS 59 -1.746 -5.506 10.083 489 3HZ LYS 59 3HZ LYS 59 -3.123 -4.638 9.598 490 H GLN 60 H GLN 60 0.730 2.261 6.756 491 HA GLN 60 HA GLN 60 -1.076 4.157 7.940 492 1HB GLN 60 2HB GLN 60 0.272 4.219 5.230 493 2HB GLN 60 1HB GLN 60 -0.580 5.563 5.974 494 1HG GLN 60 2HG GLN 60 1.663 6.030 6.347 495 2HG GLN 60 1HG GLN 60 1.106 5.360 7.879 496 1HE2 GLN 60 1HE2 GLN 60 3.132 4.694 8.523 497 2HE2 GLN 60 2HE2 GLN 60 3.981 3.386 7.757 498 H ALA 61 H ALA 61 -1.368 1.517 5.889 499 HA ALA 61 HA ALA 61 -3.515 2.320 4.235 500 1HB ALA 61 1HB ALA 61 -2.759 -0.455 5.135 501 2HB ALA 61 2HB ALA 61 -2.103 0.388 3.732 502 3HB ALA 61 3HB ALA 61 -3.810 -0.047 3.779 503 H ARG 62 H ARG 62 -3.306 1.578 7.529 504 HA ARG 62 HA ARG 62 -5.865 0.600 8.103 505 1HB ARG 62 2HB ARG 62 -4.043 0.670 9.744 506 2HB ARG 62 1HB ARG 62 -4.071 2.426 9.717 507 1HG ARG 62 2HG ARG 62 -6.360 2.373 10.637 508 2HG ARG 62 1HG ARG 62 -6.247 0.613 10.744 509 1HD ARG 62 2HD ARG 62 -4.309 0.837 12.230 510 2HD ARG 62 1HD ARG 62 -4.440 2.592 12.130 511 HE ARG 62 HE ARG 62 -6.899 1.697 13.004 512 1HH1 ARG 62 1HH1 ARG 62 -3.584 1.643 14.130 513 2HH1 ARG 62 2HH1 ARG 62 -4.024 1.489 15.805 514 1HH2 ARG 62 1HH2 ARG 62 -7.480 1.586 15.208 515 2HH2 ARG 62 2HH2 ARG 62 -6.232 1.516 16.422 516 H LEU 63 H LEU 63 -4.622 3.822 7.540 517 HA LEU 63 HA LEU 63 -7.187 5.068 8.049 518 1HB LEU 63 2HB LEU 63 -4.551 6.204 7.119 519 2HB LEU 63 1HB LEU 63 -5.992 7.165 7.387 520 HG LEU 63 HG LEU 63 -5.908 6.290 9.802 521 1HD1 LEU 63 1HD1 LEU 63 -3.066 5.696 8.989 522 2HD1 LEU 63 2HD1 LEU 63 -4.284 4.492 9.412 523 3HD1 LEU 63 3HD1 LEU 63 -3.718 5.640 10.627 524 1HD2 LEU 63 1HD2 LEU 63 -4.357 8.043 10.456 525 2HD2 LEU 63 2HD2 LEU 63 -5.400 8.589 9.142 526 3HD2 LEU 63 3HD2 LEU 63 -3.733 8.122 8.807 527 H ILE 64 H ILE 64 -5.588 3.594 5.504 528 HA ILE 64 HA ILE 64 -6.835 5.221 3.470 529 HB ILE 64 HB ILE 64 -5.075 2.779 3.140 530 1HG1 ILE 64 2HG1 ILE 64 -4.422 5.727 2.898 531 2HG1 ILE 64 1HG1 ILE 64 -3.914 4.672 4.212 532 1HG2 ILE 64 1HG2 ILE 64 -6.477 3.111 1.192 533 2HG2 ILE 64 2HG2 ILE 64 -4.814 3.566 0.814 534 3HG2 ILE 64 3HG2 ILE 64 -6.021 4.814 1.125 535 1HD1 ILE 64 1HD1 ILE 64 -2.117 5.061 2.621 536 2HD1 ILE 64 2HD1 ILE 64 -3.109 4.395 1.325 537 3HD1 ILE 64 3HD1 ILE 64 -2.582 3.360 2.652 538 H ILE 65 H ILE 65 -7.409 2.241 5.114 539 HA ILE 65 HA ILE 65 -9.056 0.916 3.267 540 HB ILE 65 HB ILE 65 -9.024 0.932 6.278 541 1HG1 ILE 65 2HG1 ILE 65 -7.145 -0.171 5.160 542 2HG1 ILE 65 1HG1 ILE 65 -8.152 -1.351 5.992 543 1HG2 ILE 65 1HG2 ILE 65 -10.619 -0.906 6.277 544 2HG2 ILE 65 2HG2 ILE 65 -10.781 -0.779 4.524 545 3HG2 ILE 65 3HG2 ILE 65 -11.326 0.542 5.557 546 1HD1 ILE 65 1HD1 ILE 65 -7.413 -2.140 3.805 547 2HD1 ILE 65 2HD1 ILE 65 -8.218 -0.770 3.040 548 3HD1 ILE 65 3HD1 ILE 65 -9.169 -1.992 3.885 549 H LYS 66 H LYS 66 -9.862 3.289 5.757 550 HA LYS 66 HA LYS 66 -12.607 3.362 4.980 551 1HB LYS 66 2HB LYS 66 -12.738 5.316 6.524 552 2HB LYS 66 1HB LYS 66 -12.037 3.885 7.268 553 1HG LYS 66 2HG LYS 66 -9.777 4.866 6.792 554 2HG LYS 66 1HG LYS 66 -10.602 6.349 6.309 555 1HD LYS 66 2HD LYS 66 -11.647 6.459 8.541 556 2HD LYS 66 1HD LYS 66 -10.739 5.020 9.014 557 1HE LYS 66 2HE LYS 66 -9.544 6.900 9.840 558 2HE LYS 66 1HE LYS 66 -8.644 6.282 8.456 559 1HZ LYS 66 1HZ LYS 66 -8.761 8.660 8.333 560 2HZ LYS 66 2HZ LYS 66 -10.448 8.641 8.490 561 3HZ LYS 66 3HZ LYS 66 -9.724 8.017 7.092 562 H LYS 67 H LYS 67 -9.953 4.319 3.431 563 HA LYS 67 HA LYS 67 -11.109 6.732 2.262 564 1HB LYS 67 2HB LYS 67 -8.403 5.448 1.840 565 2HB LYS 67 1HB LYS 67 -8.969 6.856 0.957 566 1HG LYS 67 2HG LYS 67 -8.662 6.756 3.946 567 2HG LYS 67 1HG LYS 67 -7.433 7.368 2.839 568 1HD LYS 67 2HD LYS 67 -9.081 9.030 2.015 569 2HD LYS 67 1HD LYS 67 -10.219 8.453 3.234 570 1HE LYS 67 2HE LYS 67 -8.692 9.087 5.006 571 2HE LYS 67 1HE LYS 67 -7.485 9.585 3.822 572 1HZ LYS 67 1HZ LYS 67 -8.748 11.451 4.770 573 2HZ LYS 67 2HZ LYS 67 -10.174 10.814 4.106 574 3HZ LYS 67 3HZ LYS 67 -8.929 11.341 3.089 575 H VAL 68 H VAL 68 -9.900 3.535 1.416 576 HA VAL 68 HA VAL 68 -10.714 3.466 -1.266 577 HB VAL 68 HB VAL 68 -10.930 1.009 0.445 578 1HG1 VAL 68 1HG1 VAL 68 -11.427 0.836 -1.922 579 2HG1 VAL 68 2HG1 VAL 68 -9.974 -0.074 -1.509 580 3HG1 VAL 68 3HG1 VAL 68 -9.836 1.489 -2.314 581 1HG2 VAL 68 1HG2 VAL 68 -8.351 2.330 -0.340 582 2HG2 VAL 68 2HG2 VAL 68 -8.501 0.682 0.265 583 3HG2 VAL 68 3HG2 VAL 68 -8.944 2.042 1.296 584 H GLU 69 H GLU 69 -12.359 2.985 1.763 585 HA GLU 69 HA GLU 69 -14.649 1.738 0.566 586 1HB GLU 69 2HB GLU 69 -13.712 1.484 2.987 587 2HB GLU 69 1HB GLU 69 -14.702 2.901 3.318 588 1HG GLU 69 2HG GLU 69 -16.685 1.760 2.628 589 2HG GLU 69 1HG GLU 69 -15.743 0.382 2.065 590 H ARG 70 H ARG 70 -13.602 4.805 0.447 591 HA ARG 70 HA ARG 70 -16.019 6.279 0.931 592 1HB ARG 70 2HB ARG 70 -13.400 6.960 -0.391 593 2HB ARG 70 1HB ARG 70 -14.718 8.109 -0.303 594 1HG ARG 70 2HG ARG 70 -14.643 8.077 2.102 595 2HG ARG 70 1HG ARG 70 -13.390 6.827 2.065 596 1HD ARG 70 2HD ARG 70 -12.289 8.916 2.385 597 2HD ARG 70 1HD ARG 70 -11.997 8.391 0.728 598 HE ARG 70 HE ARG 70 -14.146 10.314 1.262 599 1HH1 ARG 70 1HH1 ARG 70 -11.106 9.493 -0.286 600 2HH1 ARG 70 2HH1 ARG 70 -11.024 10.973 -1.193 601 1HH2 ARG 70 1HH2 ARG 70 -14.035 12.256 0.071 602 2HH2 ARG 70 2HH2 ARG 70 -12.682 12.545 -0.978 603 H LYS 71 H LYS 71 -14.970 4.283 -1.582 604 HA LYS 71 HA LYS 71 -17.016 5.430 -3.341 605 1HB LYS 71 2HB LYS 71 -14.658 6.131 -4.025 606 2HB LYS 71 1HB LYS 71 -14.372 4.439 -4.408 607 1HG LYS 71 2HG LYS 71 -16.194 4.488 -6.030 608 2HG LYS 71 1HG LYS 71 -16.497 6.182 -5.643 609 1HD LYS 71 2HD LYS 71 -14.148 6.675 -6.356 610 2HD LYS 71 1HD LYS 71 -14.032 5.003 -6.913 611 1HE LYS 71 2HE LYS 71 -16.054 7.029 -7.869 612 2HE LYS 71 1HE LYS 71 -14.595 6.555 -8.736 613 1HZ LYS 71 1HZ LYS 71 -16.692 5.438 -9.459 614 2HZ LYS 71 2HZ LYS 71 -16.714 4.624 -7.971 615 3HZ LYS 71 3HZ LYS 71 -15.430 4.387 -9.053 616 H ASN 72 H ASN 72 -17.553 3.883 -5.139 617 HA ASN 72 HA ASN 72 -18.124 1.299 -4.018 618 1HB ASN 72 2HB ASN 72 -19.416 0.949 -6.048 619 2HB ASN 72 1HB ASN 72 -19.744 2.564 -5.423 620 1HD2 ASN 72 1HD2 ASN 72 -18.582 0.722 -8.046 621 2HD2 ASN 72 2HD2 ASN 72 -18.184 2.044 -9.095 622 H PHE 73 H PHE 73 -17.451 -0.698 -4.834 623 HA PHE 73 HA PHE 73 -15.307 -0.655 -6.845 624 1HB PHE 73 2HB PHE 73 -14.366 -1.007 -4.561 625 2HB PHE 73 1HB PHE 73 -15.390 -2.427 -4.386 626 HD1 PHE 73 1HD PHE 73 -12.672 -0.992 -6.471 627 HD2 PHE 73 2HD PHE 73 -14.646 -4.513 -5.112 628 HE1 PHE 73 1HE PHE 73 -10.922 -2.370 -7.510 629 HE2 PHE 73 2HE PHE 73 -12.894 -5.897 -6.151 630 HZ PHE 73 HZ PHE 73 -11.033 -4.823 -7.352 Start of MODEL 3 1 1H PHE 1 1HT PHE 1 23.504 -24.515 -6.902 2 2H PHE 1 2HT PHE 1 22.276 -25.463 -7.591 3 3H PHE 1 3HT PHE 1 23.482 -26.194 -6.650 4 HA PHE 1 HA PHE 1 21.481 -26.043 -5.370 5 1HB PHE 1 2HB PHE 1 23.438 -23.906 -4.478 6 2HB PHE 1 1HB PHE 1 22.331 -24.803 -3.449 7 HD1 PHE 1 1HD PHE 1 25.517 -24.850 -5.202 8 HD2 PHE 1 2HD PHE 1 22.763 -27.149 -2.915 9 HE1 PHE 1 1HE PHE 1 27.265 -26.536 -4.797 10 HE2 PHE 1 2HE PHE 1 24.505 -28.837 -2.504 11 HZ PHE 1 HZ PHE 1 26.759 -28.531 -3.449 12 HA PRO 2 HA PRO 2 18.661 -22.688 -6.210 13 1HB PRO 2 2HB PRO 2 17.450 -22.539 -3.733 14 2HB PRO 2 1HB PRO 2 17.003 -23.685 -4.999 15 1HG PRO 2 2HG PRO 2 18.737 -24.093 -2.601 16 2HG PRO 2 1HG PRO 2 17.538 -25.184 -3.320 17 1HD PRO 2 2HD PRO 2 20.172 -25.532 -3.705 18 2HD PRO 2 1HD PRO 2 18.986 -25.888 -4.978 19 H MET 3 H MET 3 19.064 -20.567 -6.230 20 HA MET 3 HA MET 3 20.939 -19.528 -4.246 21 1HB MET 3 2HB MET 3 21.252 -17.644 -5.768 22 2HB MET 3 1HB MET 3 21.497 -19.172 -6.600 23 1HG MET 3 2HG MET 3 19.206 -18.998 -7.508 24 2HG MET 3 1HG MET 3 19.064 -17.411 -6.751 25 1HE MET 3 1HE MET 3 20.571 -15.294 -7.447 26 2HE MET 3 2HE MET 3 21.868 -15.393 -8.639 27 3HE MET 3 3HE MET 3 22.002 -16.266 -7.112 28 H PHE 4 H PHE 4 17.634 -19.341 -5.181 29 HA PHE 4 HA PHE 4 17.155 -16.965 -3.571 30 1HB PHE 4 2HB PHE 4 15.318 -18.744 -5.182 31 2HB PHE 4 1HB PHE 4 14.738 -17.405 -4.195 32 HD1 PHE 4 1HD PHE 4 15.475 -15.086 -4.736 33 HD2 PHE 4 2HD PHE 4 16.229 -18.374 -7.328 34 HE1 PHE 4 1HE PHE 4 15.888 -13.525 -6.591 35 HE2 PHE 4 2HE PHE 4 16.643 -16.819 -9.189 36 HZ PHE 4 HZ PHE 4 16.472 -14.388 -8.820 37 H LYS 5 H LYS 5 16.825 -17.063 -1.481 38 HA LYS 5 HA LYS 5 16.575 -19.657 -0.207 39 1HB LYS 5 2HB LYS 5 18.205 -18.205 0.748 40 2HB LYS 5 1HB LYS 5 17.067 -16.869 0.836 41 1HG LYS 5 2HG LYS 5 17.503 -17.829 3.029 42 2HG LYS 5 1HG LYS 5 15.813 -18.020 2.565 43 1HD LYS 5 2HD LYS 5 16.285 -20.339 1.882 44 2HD LYS 5 1HD LYS 5 17.958 -20.135 2.411 45 1HE LYS 5 2HE LYS 5 17.229 -19.754 4.688 46 2HE LYS 5 1HE LYS 5 15.539 -19.826 4.187 47 1HZ LYS 5 1HZ LYS 5 15.809 -22.127 3.601 48 2HZ LYS 5 2HZ LYS 5 16.330 -21.904 5.198 49 3HZ LYS 5 3HZ LYS 5 17.470 -22.068 3.949 50 H ARG 6 H ARG 6 14.826 -16.555 -0.113 51 HA ARG 6 HA ARG 6 12.326 -17.911 0.306 52 1HB ARG 6 2HB ARG 6 13.306 -17.944 2.571 53 2HB ARG 6 1HB ARG 6 13.487 -16.199 2.512 54 1HG ARG 6 2HG ARG 6 11.161 -15.849 2.609 55 2HG ARG 6 1HG ARG 6 10.815 -17.546 2.260 56 1HD ARG 6 2HD ARG 6 12.253 -16.583 4.730 57 2HD ARG 6 1HD ARG 6 10.519 -16.907 4.659 58 HE ARG 6 HE ARG 6 11.327 -19.239 3.882 59 1HH1 ARG 6 1HH1 ARG 6 12.960 -17.228 6.249 60 2HH1 ARG 6 2HH1 ARG 6 13.591 -18.580 7.144 61 1HH2 ARG 6 1HH2 ARG 6 12.144 -21.008 5.066 62 2HH2 ARG 6 2HH2 ARG 6 13.118 -20.726 6.479 63 H GLY 7 H GLY 7 10.652 -16.696 -0.384 64 1HA GLY 7 2HA GLY 7 10.419 -13.924 -0.306 65 2HA GLY 7 1HA GLY 7 11.203 -14.318 -1.830 66 H ARG 8 H ARG 8 8.271 -14.003 -0.221 67 HA ARG 8 HA ARG 8 6.819 -14.698 -2.616 68 1HB ARG 8 2HB ARG 8 6.867 -16.864 -1.472 69 2HB ARG 8 1HB ARG 8 6.237 -16.122 -0.006 70 1HG ARG 8 2HG ARG 8 4.159 -15.577 -1.162 71 2HG ARG 8 1HG ARG 8 4.793 -16.293 -2.644 72 1HD ARG 8 2HD ARG 8 4.910 -18.467 -1.582 73 2HD ARG 8 1HD ARG 8 4.384 -17.775 -0.049 74 HE ARG 8 HE ARG 8 2.368 -17.122 -1.742 75 1HH1 ARG 8 1HH1 ARG 8 4.001 -20.136 -1.032 76 2HH1 ARG 8 2HH1 ARG 8 2.587 -21.117 -1.261 77 1HH2 ARG 8 1HH2 ARG 8 0.489 -18.409 -2.052 78 2HH2 ARG 8 2HH2 ARG 8 0.588 -20.134 -1.826 79 H CYS 9 H CYS 9 6.373 -13.995 0.848 80 HA CYS 9 HA CYS 9 4.541 -11.833 0.059 81 1HB CYS 9 2HB CYS 9 4.527 -13.276 2.714 82 2HB CYS 9 1HB CYS 9 3.331 -12.135 2.106 83 H LEU 10 H LEU 10 6.193 -10.306 -0.089 84 HA LEU 10 HA LEU 10 6.874 -9.206 2.513 85 1HB LEU 10 2HB LEU 10 8.876 -10.473 1.885 86 2HB LEU 10 1HB LEU 10 8.940 -9.624 0.351 87 HG LEU 10 HG LEU 10 9.293 -7.491 1.572 88 1HD1 LEU 10 1HD1 LEU 10 9.450 -9.286 3.993 89 2HD1 LEU 10 2HD1 LEU 10 8.212 -8.073 3.665 90 3HD1 LEU 10 3HD1 LEU 10 9.881 -7.576 3.950 91 1HD2 LEU 10 1HD2 LEU 10 11.282 -9.663 2.250 92 2HD2 LEU 10 2HD2 LEU 10 11.604 -7.930 2.201 93 3HD2 LEU 10 3HD2 LEU 10 11.193 -8.792 0.718 94 H CYS 11 H CYS 11 5.398 -7.625 2.129 95 HA CYS 11 HA CYS 11 5.836 -5.883 -0.166 96 1HB CYS 11 2HB CYS 11 3.636 -5.995 1.906 97 2HB CYS 11 1HB CYS 11 3.734 -4.772 0.641 98 H ILE 12 H ILE 12 6.193 -3.630 0.152 99 HA ILE 12 HA ILE 12 6.982 -2.745 2.790 100 HB ILE 12 HB ILE 12 8.930 -4.030 1.885 101 1HG1 ILE 12 2HG1 ILE 12 10.623 -2.221 2.294 102 2HG1 ILE 12 1HG1 ILE 12 9.304 -1.055 2.296 103 1HG2 ILE 12 1HG2 ILE 12 8.647 -3.539 -0.477 104 2HG2 ILE 12 2HG2 ILE 12 10.256 -3.061 0.064 105 3HG2 ILE 12 3HG2 ILE 12 9.010 -1.837 -0.189 106 1HD1 ILE 12 1HD1 ILE 12 9.968 -1.665 4.553 107 2HD1 ILE 12 2HD1 ILE 12 9.615 -3.357 4.206 108 3HD1 ILE 12 3HD1 ILE 12 8.312 -2.168 4.214 109 H GLY 13 H GLY 13 7.490 -0.400 2.767 110 1HA GLY 13 2HA GLY 13 5.587 0.971 1.191 111 2HA GLY 13 1HA GLY 13 6.790 1.732 2.193 112 HA PRO 14 HA PRO 14 8.307 1.529 -2.307 113 1HB PRO 14 2HB PRO 14 6.340 1.167 -4.137 114 2HB PRO 14 1HB PRO 14 7.043 -0.182 -3.231 115 1HG PRO 14 2HG PRO 14 4.405 1.058 -2.983 116 2HG PRO 14 1HG PRO 14 4.944 -0.527 -2.431 117 1HD PRO 14 2HD PRO 14 4.677 1.938 -0.908 118 2HD PRO 14 1HD PRO 14 5.044 0.303 -0.334 119 H GLY 15 H GLY 15 6.780 3.764 -0.819 120 1HA GLY 15 2HA GLY 15 7.270 5.893 -2.467 121 2HA GLY 15 1HA GLY 15 5.655 5.370 -2.913 122 H VAL 16 H VAL 16 4.328 4.866 -0.701 123 HA VAL 16 HA VAL 16 3.107 5.876 0.921 124 HB VAL 16 HB VAL 16 5.459 7.512 1.818 125 1HG1 VAL 16 1HG1 VAL 16 3.498 5.856 3.397 126 2HG1 VAL 16 2HG1 VAL 16 3.230 7.546 2.983 127 3HG1 VAL 16 3HG1 VAL 16 4.595 7.096 4.006 128 1HG2 VAL 16 1HG2 VAL 16 6.436 5.338 1.267 129 2HG2 VAL 16 2HG2 VAL 16 5.209 4.532 2.243 130 3HG2 VAL 16 3HG2 VAL 16 6.394 5.588 3.012 131 H LYS 17 H LYS 17 3.962 8.736 1.833 132 HA LYS 17 HA LYS 17 3.525 10.885 1.344 133 1HB LYS 17 2HB LYS 17 5.003 10.672 -0.545 134 2HB LYS 17 1HB LYS 17 3.727 9.955 -1.518 135 1HG LYS 17 2HG LYS 17 2.570 11.991 -1.689 136 2HG LYS 17 1HG LYS 17 3.510 12.725 -0.389 137 1HD LYS 17 2HD LYS 17 4.712 11.830 -3.003 138 2HD LYS 17 1HD LYS 17 4.117 13.468 -2.721 139 1HE LYS 17 2HE LYS 17 5.680 13.704 -0.843 140 2HE LYS 17 1HE LYS 17 6.277 12.071 -1.140 141 1HZ LYS 17 1HZ LYS 17 7.664 13.905 -2.077 142 2HZ LYS 17 2HZ LYS 17 6.401 14.240 -3.163 143 3HZ LYS 17 3HZ LYS 17 7.182 12.740 -3.213 144 H ALA 18 H ALA 18 1.601 8.685 -0.665 145 HA ALA 18 HA ALA 18 -0.637 8.371 -0.832 146 1HB ALA 18 1HB ALA 18 -0.779 8.817 1.580 147 2HB ALA 18 2HB ALA 18 -2.199 9.389 0.706 148 3HB ALA 18 3HB ALA 18 -0.971 10.537 1.239 149 H VAL 19 H VAL 19 -2.010 8.974 -2.360 150 HA VAL 19 HA VAL 19 -1.781 11.709 -3.431 151 HB VAL 19 HB VAL 19 -2.498 10.705 -5.611 152 1HG1 VAL 19 1HG1 VAL 19 0.053 9.632 -4.415 153 2HG1 VAL 19 2HG1 VAL 19 -0.162 11.222 -5.147 154 3HG1 VAL 19 3HG1 VAL 19 -0.301 9.769 -6.137 155 1HG2 VAL 19 1HG2 VAL 19 -2.242 8.286 -5.912 156 2HG2 VAL 19 2HG2 VAL 19 -3.527 8.660 -4.764 157 3HG2 VAL 19 3HG2 VAL 19 -1.960 8.103 -4.180 158 H LYS 20 H LYS 20 -4.099 10.901 -5.266 159 HA LYS 20 HA LYS 20 -6.158 12.055 -3.662 160 1HB LYS 20 2HB LYS 20 -6.050 12.392 -6.096 161 2HB LYS 20 1HB LYS 20 -6.321 10.674 -6.344 162 1HG LYS 20 2HG LYS 20 -8.346 11.958 -6.744 163 2HG LYS 20 1HG LYS 20 -8.544 10.860 -5.379 164 1HD LYS 20 2HD LYS 20 -9.528 13.033 -4.892 165 2HD LYS 20 1HD LYS 20 -8.156 12.715 -3.829 166 1HE LYS 20 2HE LYS 20 -6.740 14.123 -5.222 167 2HE LYS 20 1HE LYS 20 -8.088 14.414 -6.321 168 1HZ LYS 20 1HZ LYS 20 -8.084 15.158 -3.447 169 2HZ LYS 20 2HZ LYS 20 -9.260 15.557 -4.599 170 3HZ LYS 20 3HZ LYS 20 -7.707 16.225 -4.709 171 H VAL 21 H VAL 21 -6.763 10.846 -1.943 172 HA VAL 21 HA VAL 21 -6.843 8.020 -1.925 173 HB VAL 21 HB VAL 21 -7.989 8.327 0.321 174 1HG1 VAL 21 1HG1 VAL 21 -5.343 9.687 -0.173 175 2HG1 VAL 21 2HG1 VAL 21 -5.599 7.965 0.106 176 3HG1 VAL 21 3HG1 VAL 21 -5.929 9.124 1.392 177 1HG2 VAL 21 1HG2 VAL 21 -8.991 10.525 -0.093 178 2HG2 VAL 21 2HG2 VAL 21 -7.383 11.235 -0.247 179 3HG2 VAL 21 3HG2 VAL 21 -7.909 10.574 1.300 180 H ALA 22 H ALA 22 -8.215 8.098 -3.903 181 HA ALA 22 HA ALA 22 -10.619 6.787 -3.329 182 1HB ALA 22 1HB ALA 22 -11.002 9.539 -4.507 183 2HB ALA 22 2HB ALA 22 -11.499 9.039 -2.891 184 3HB ALA 22 3HB ALA 22 -12.255 8.315 -4.311 185 H ASP 23 H ASP 23 -8.645 8.580 -5.562 186 HA ASP 23 HA ASP 23 -9.615 7.109 -7.874 187 1HB ASP 23 2HB ASP 23 -8.625 9.634 -7.585 188 2HB ASP 23 1HB ASP 23 -7.180 8.771 -8.096 189 H ILE 24 H ILE 24 -6.534 7.648 -6.230 190 HA ILE 24 HA ILE 24 -5.789 4.866 -6.572 191 HB ILE 24 HB ILE 24 -3.387 5.687 -7.124 192 1HG1 ILE 24 2HG1 ILE 24 -4.277 8.162 -6.964 193 2HG1 ILE 24 1HG1 ILE 24 -3.046 7.726 -8.141 194 1HG2 ILE 24 1HG2 ILE 24 -3.836 5.430 -9.520 195 2HG2 ILE 24 2HG2 ILE 24 -5.561 5.636 -9.215 196 3HG2 ILE 24 3HG2 ILE 24 -4.708 4.246 -8.542 197 1HD1 ILE 24 1HD1 ILE 24 -4.718 7.642 -9.890 198 2HD1 ILE 24 2HD1 ILE 24 -4.761 9.203 -9.066 199 3HD1 ILE 24 3HD1 ILE 24 -5.987 7.984 -8.715 200 H GLU 25 H GLU 25 -3.595 4.609 -5.345 201 HA GLU 25 HA GLU 25 -3.086 4.163 -3.188 202 1HB GLU 25 2HB GLU 25 -2.268 6.513 -3.351 203 2HB GLU 25 1HB GLU 25 -3.830 7.065 -2.755 204 1HG GLU 25 2HG GLU 25 -2.516 7.105 -0.854 205 2HG GLU 25 1HG GLU 25 -3.343 5.555 -0.720 206 H LYS 26 H LYS 26 -4.881 2.885 -3.438 207 HA LYS 26 HA LYS 26 -7.060 3.350 -1.615 208 1HB LYS 26 2HB LYS 26 -7.884 4.351 -3.707 209 2HB LYS 26 1HB LYS 26 -7.484 2.876 -4.583 210 1HG LYS 26 2HG LYS 26 -9.176 1.654 -3.387 211 2HG LYS 26 1HG LYS 26 -9.492 3.036 -2.338 212 1HD LYS 26 2HD LYS 26 -11.208 2.874 -4.040 213 2HD LYS 26 1HD LYS 26 -10.236 4.322 -4.298 214 1HE LYS 26 2HE LYS 26 -8.970 3.179 -6.036 215 2HE LYS 26 1HE LYS 26 -9.898 1.706 -5.758 216 1HZ LYS 26 1HZ LYS 26 -11.906 2.949 -6.396 217 2HZ LYS 26 2HZ LYS 26 -10.772 2.859 -7.652 218 3HZ LYS 26 3HZ LYS 26 -10.945 4.294 -6.770 219 H ALA 27 H ALA 27 -6.223 1.634 -0.492 220 HA ALA 27 HA ALA 27 -5.530 -0.809 -1.869 221 1HB ALA 27 1HB ALA 27 -4.032 -0.156 -0.204 222 2HB ALA 27 2HB ALA 27 -4.915 -1.531 0.458 223 3HB ALA 27 3HB ALA 27 -5.318 0.110 0.969 224 H SER 28 H SER 28 -6.845 -2.442 -2.128 225 HA SER 28 HA SER 28 -9.004 -2.813 -0.164 226 1HB SER 28 2HB SER 28 -9.162 -3.100 -3.161 227 2HB SER 28 1HB SER 28 -10.436 -3.592 -2.043 228 HG SER 28 HG SER 28 -9.581 -1.036 -1.603 229 H ILE 29 H ILE 29 -7.087 -4.191 0.570 230 HA ILE 29 HA ILE 29 -8.146 -6.812 0.205 231 HB ILE 29 HB ILE 29 -6.279 -6.560 -1.557 232 1HG1 ILE 29 2HG1 ILE 29 -5.451 -8.872 -1.112 233 2HG1 ILE 29 1HG1 ILE 29 -6.220 -8.803 0.470 234 1HG2 ILE 29 1HG2 ILE 29 -4.007 -6.997 -0.734 235 2HG2 ILE 29 2HG2 ILE 29 -4.589 -6.814 0.922 236 3HG2 ILE 29 3HG2 ILE 29 -4.635 -5.443 -0.188 237 1HD1 ILE 29 1HD1 ILE 29 -7.572 -10.018 -1.157 238 2HD1 ILE 29 2HD1 ILE 29 -7.645 -8.575 -2.170 239 3HD1 ILE 29 3HD1 ILE 29 -8.395 -8.572 -0.573 240 H MET 30 H MET 30 -7.812 -8.049 2.099 241 HA MET 30 HA MET 30 -5.710 -7.196 3.892 242 1HB MET 30 2HB MET 30 -7.259 -7.123 5.867 243 2HB MET 30 1HB MET 30 -7.422 -5.789 4.734 244 1HG MET 30 2HG MET 30 -9.377 -6.951 3.739 245 2HG MET 30 1HG MET 30 -9.247 -8.168 5.007 246 1HE MET 30 1HE MET 30 -10.218 -3.719 5.772 247 2HE MET 30 2HE MET 30 -10.036 -4.419 4.163 248 3HE MET 30 3HE MET 30 -8.637 -4.286 5.229 249 H TYR 31 H TYR 31 -4.938 -9.191 3.106 250 HA TYR 31 HA TYR 31 -5.766 -11.408 4.792 251 1HB TYR 31 2HB TYR 31 -5.586 -11.686 1.778 252 2HB TYR 31 1HB TYR 31 -5.783 -13.013 2.907 253 HD1 TYR 31 1HD TYR 31 -7.919 -13.159 4.248 254 HD2 TYR 31 2HD TYR 31 -7.446 -10.476 0.981 255 HE1 TYR 31 1HE TYR 31 -10.364 -12.935 4.091 256 HE2 TYR 31 2HE TYR 31 -9.887 -10.238 0.813 257 HH TYR 31 HH TYR 31 -12.030 -11.337 3.232 258 HA PRO 32 HA PRO 32 -1.398 -11.949 4.961 259 1HB PRO 32 2HB PRO 32 -1.219 -14.519 5.688 260 2HB PRO 32 1HB PRO 32 -1.908 -13.294 6.763 261 1HG PRO 32 2HG PRO 32 -3.307 -15.237 4.964 262 2HG PRO 32 1HG PRO 32 -3.640 -14.864 6.670 263 1HD PRO 32 2HD PRO 32 -5.065 -13.749 4.664 264 2HD PRO 32 1HD PRO 32 -4.702 -12.870 6.162 265 H SER 33 H SER 33 -2.481 -12.182 2.276 266 HA SER 33 HA SER 33 -2.100 -13.032 0.208 267 1HB SER 33 2HB SER 33 0.275 -12.455 0.985 268 2HB SER 33 1HB SER 33 0.478 -14.180 1.287 269 HG SER 33 HG SER 33 1.052 -13.145 -0.898 270 H ASN 34 H ASN 34 -2.858 -14.793 2.722 271 HA ASN 34 HA ASN 34 -3.946 -16.734 3.018 272 1HB ASN 34 2HB ASN 34 -4.961 -16.143 0.811 273 2HB ASN 34 1HB ASN 34 -3.712 -17.092 0.021 274 1HD2 ASN 34 1HD2 ASN 34 -3.999 -19.223 -0.208 275 2HD2 ASN 34 2HD2 ASN 34 -5.333 -20.118 0.430 276 H ASN 35 H ASN 35 -0.877 -16.586 2.843 277 HA ASN 35 HA ASN 35 -0.602 -19.409 3.416 278 1HB ASN 35 2HB ASN 35 -0.337 -19.271 0.914 279 2HB ASN 35 1HB ASN 35 1.065 -18.244 1.171 280 1HD2 ASN 35 1HD2 ASN 35 -0.236 -21.464 1.532 281 2HD2 ASN 35 2HD2 ASN 35 1.291 -22.265 1.733 282 H CYS 36 H CYS 36 -0.163 -16.535 4.465 283 HA CYS 36 HA CYS 36 2.678 -16.831 5.088 284 1HB CYS 36 2HB CYS 36 1.363 -14.616 3.602 285 2HB CYS 36 1HB CYS 36 2.873 -14.322 4.489 286 H ASP 37 H ASP 37 -0.377 -15.919 6.241 287 HA ASP 37 HA ASP 37 -1.076 -15.300 8.314 288 1HB ASP 37 2HB ASP 37 1.814 -15.791 8.975 289 2HB ASP 37 1HB ASP 37 0.686 -15.192 10.184 290 H LYS 38 H LYS 38 1.251 -13.439 6.669 291 HA LYS 38 HA LYS 38 0.764 -11.111 8.374 292 1HB LYS 38 2HB LYS 38 2.498 -10.006 6.982 293 2HB LYS 38 1HB LYS 38 3.090 -11.449 7.788 294 1HG LYS 38 2HG LYS 38 2.961 -12.709 5.757 295 2HG LYS 38 1HG LYS 38 2.158 -11.373 4.933 296 1HD LYS 38 2HD LYS 38 4.370 -11.242 4.198 297 2HD LYS 38 1HD LYS 38 4.280 -10.028 5.471 298 1HE LYS 38 2HE LYS 38 5.280 -12.834 5.909 299 2HE LYS 38 1HE LYS 38 6.332 -11.484 5.494 300 1HZ LYS 38 1HZ LYS 38 6.406 -11.713 7.811 301 2HZ LYS 38 2HZ LYS 38 4.723 -11.856 7.954 302 3HZ LYS 38 3HZ LYS 38 5.415 -10.361 7.530 303 H ILE 39 H ILE 39 -0.793 -9.737 7.815 304 HA ILE 39 HA ILE 39 -2.227 -10.337 5.367 305 HB ILE 39 HB ILE 39 -4.041 -8.941 6.253 306 1HG1 ILE 39 2HG1 ILE 39 -2.344 -8.636 8.743 307 2HG1 ILE 39 1HG1 ILE 39 -2.579 -7.358 7.556 308 1HG2 ILE 39 1HG2 ILE 39 -3.963 -11.307 6.783 309 2HG2 ILE 39 2HG2 ILE 39 -4.650 -10.391 8.124 310 3HG2 ILE 39 3HG2 ILE 39 -2.987 -10.971 8.213 311 1HD1 ILE 39 1HD1 ILE 39 -4.030 -7.064 9.483 312 2HD1 ILE 39 2HD1 ILE 39 -4.743 -8.653 9.200 313 3HD1 ILE 39 3HD1 ILE 39 -4.971 -7.362 8.020 314 H GLU 40 H GLU 40 -1.552 -9.369 3.623 315 HA GLU 40 HA GLU 40 -0.147 -6.838 3.783 316 1HB GLU 40 2HB GLU 40 -0.593 -8.652 1.408 317 2HB GLU 40 1HB GLU 40 0.542 -7.313 1.498 318 1HG GLU 40 2HG GLU 40 0.683 -9.783 3.221 319 2HG GLU 40 1HG GLU 40 1.578 -9.557 1.721 320 H VAL 41 H VAL 41 -0.570 -5.169 2.157 321 HA VAL 41 HA VAL 41 -3.420 -4.973 1.462 322 HB VAL 41 HB VAL 41 -1.778 -3.215 3.156 323 1HG1 VAL 41 1HG1 VAL 41 -1.815 -1.769 1.213 324 2HG1 VAL 41 2HG1 VAL 41 -2.896 -1.137 2.457 325 3HG1 VAL 41 3HG1 VAL 41 -3.559 -1.981 1.058 326 1HG2 VAL 41 1HG2 VAL 41 -4.757 -3.500 2.752 327 2HG2 VAL 41 2HG2 VAL 41 -3.967 -2.628 4.066 328 3HG2 VAL 41 3HG2 VAL 41 -3.782 -4.377 3.934 329 H ILE 42 H ILE 42 -3.889 -4.206 -0.573 330 HA ILE 42 HA ILE 42 -1.563 -3.717 -2.312 331 HB ILE 42 HB ILE 42 -4.331 -4.714 -3.035 332 1HG1 ILE 42 2HG1 ILE 42 -1.649 -6.131 -3.041 333 2HG1 ILE 42 1HG1 ILE 42 -2.925 -6.376 -1.855 334 1HG2 ILE 42 1HG2 ILE 42 -1.896 -4.327 -4.781 335 2HG2 ILE 42 2HG2 ILE 42 -3.359 -3.345 -4.814 336 3HG2 ILE 42 3HG2 ILE 42 -3.428 -5.044 -5.285 337 1HD1 ILE 42 1HD1 ILE 42 -4.389 -7.241 -3.601 338 2HD1 ILE 42 2HD1 ILE 42 -2.886 -8.159 -3.501 339 3HD1 ILE 42 3HD1 ILE 42 -3.116 -6.985 -4.796 340 H ILE 43 H ILE 43 -1.262 -1.664 -2.774 341 HA ILE 43 HA ILE 43 -3.602 0.079 -3.241 342 HB ILE 43 HB ILE 43 -1.129 1.437 -2.459 343 1HG1 ILE 43 2HG1 ILE 43 -2.677 -0.038 -0.308 344 2HG1 ILE 43 1HG1 ILE 43 -1.085 -0.516 -0.889 345 1HG2 ILE 43 1HG2 ILE 43 -3.994 1.661 -1.536 346 2HG2 ILE 43 2HG2 ILE 43 -3.265 2.552 -2.878 347 3HG2 ILE 43 3HG2 ILE 43 -2.704 2.826 -1.223 348 1HD1 ILE 43 1HD1 ILE 43 -1.766 2.081 0.477 349 2HD1 ILE 43 2HD1 ILE 43 -0.168 1.625 -0.120 350 3HD1 ILE 43 3HD1 ILE 43 -0.915 0.714 1.195 351 H THR 44 H THR 44 -3.156 1.859 -4.662 352 HA THR 44 HA THR 44 -0.757 1.556 -6.330 353 HB THR 44 HB THR 44 -2.120 2.320 -8.236 354 HG1 THR 44 1HG THR 44 -3.843 3.199 -7.087 355 1HG2 THR 44 1HG2 THR 44 -3.204 0.156 -8.704 356 2HG2 THR 44 2HG2 THR 44 -3.013 -0.284 -7.007 357 3HG2 THR 44 3HG2 THR 44 -1.591 -0.052 -8.023 358 H LEU 45 H LEU 45 0.252 3.395 -5.354 359 HA LEU 45 HA LEU 45 -1.271 5.847 -5.303 360 1HB LEU 45 2HB LEU 45 0.227 6.622 -3.809 361 2HB LEU 45 1HB LEU 45 0.721 4.952 -3.684 362 HG LEU 45 HG LEU 45 2.406 5.691 -5.613 363 1HD1 LEU 45 1HD1 LEU 45 1.933 8.238 -4.068 364 2HD1 LEU 45 2HD1 LEU 45 1.552 7.976 -5.769 365 3HD1 LEU 45 3HD1 LEU 45 3.231 7.952 -5.229 366 1HD2 LEU 45 1HD2 LEU 45 4.068 6.098 -3.859 367 2HD2 LEU 45 2HD2 LEU 45 3.041 4.713 -3.491 368 3HD2 LEU 45 3HD2 LEU 45 2.769 6.254 -2.676 369 H LYS 46 H LYS 46 -1.755 6.319 -7.339 370 HA LYS 46 HA LYS 46 0.295 6.007 -9.359 371 1HB LYS 46 2HB LYS 46 -1.903 5.134 -9.884 372 2HB LYS 46 1HB LYS 46 -2.622 6.718 -9.637 373 1HG LYS 46 2HG LYS 46 -2.337 6.090 -12.019 374 2HG LYS 46 1HG LYS 46 -1.526 7.592 -11.575 375 1HD LYS 46 2HD LYS 46 0.596 6.391 -11.400 376 2HD LYS 46 1HD LYS 46 -0.219 4.887 -11.838 377 1HE LYS 46 2HE LYS 46 -0.717 5.708 -14.019 378 2HE LYS 46 1HE LYS 46 -0.195 7.337 -13.588 379 1HZ LYS 46 1HZ LYS 46 1.437 6.044 -14.918 380 2HZ LYS 46 2HZ LYS 46 1.619 4.989 -13.601 381 3HZ LYS 46 3HZ LYS 46 2.044 6.624 -13.444 382 H GLU 47 H GLU 47 1.687 7.549 -9.441 383 HA GLU 47 HA GLU 47 1.305 10.125 -10.318 384 1HB GLU 47 2HB GLU 47 0.079 10.495 -8.191 385 2HB GLU 47 1HB GLU 47 1.503 9.995 -7.294 386 1HG GLU 47 2HG GLU 47 1.394 12.365 -7.246 387 2HG GLU 47 1HG GLU 47 2.730 11.910 -8.298 388 H ASN 48 H ASN 48 3.049 8.563 -7.661 389 HA ASN 48 HA ASN 48 5.588 9.423 -8.866 390 1HB ASN 48 2HB ASN 48 5.056 10.276 -6.577 391 2HB ASN 48 1HB ASN 48 5.047 8.614 -6.001 392 1HD2 ASN 48 1HD2 ASN 48 7.244 10.092 -8.334 393 2HD2 ASN 48 2HD2 ASN 48 8.678 9.850 -7.395 394 H LYS 49 H LYS 49 3.711 6.655 -7.944 395 HA LYS 49 HA LYS 49 6.009 4.919 -8.526 396 1HB LYS 49 2HB LYS 49 5.504 5.123 -6.059 397 2HB LYS 49 1HB LYS 49 3.985 4.298 -6.409 398 1HG LYS 49 2HG LYS 49 5.615 2.715 -5.625 399 2HG LYS 49 1HG LYS 49 5.238 2.403 -7.319 400 1HD LYS 49 2HD LYS 49 7.283 3.450 -8.024 401 2HD LYS 49 1HD LYS 49 7.625 3.992 -6.380 402 1HE LYS 49 2HE LYS 49 8.992 2.076 -6.854 403 2HE LYS 49 1HE LYS 49 7.763 1.615 -5.679 404 1HZ LYS 49 1HZ LYS 49 7.646 1.071 -8.601 405 2HZ LYS 49 2HZ LYS 49 6.494 0.591 -7.457 406 3HZ LYS 49 3HZ LYS 49 8.057 -0.059 -7.402 407 H GLY 50 H GLY 50 2.525 4.721 -7.849 408 1HA GLY 50 2HA GLY 50 0.921 3.841 -9.370 409 2HA GLY 50 1HA GLY 50 2.221 3.003 -10.210 410 H GLN 51 H GLN 51 3.308 2.240 -7.476 411 HA GLN 51 HA GLN 51 1.417 0.054 -6.917 412 1HB GLN 51 2HB GLN 51 4.412 -0.224 -6.876 413 2HB GLN 51 1HB GLN 51 3.219 -1.498 -6.691 414 1HG GLN 51 2HG GLN 51 2.586 -1.379 -8.967 415 2HG GLN 51 1HG GLN 51 3.519 0.097 -9.214 416 1HE2 GLN 51 1HE2 GLN 51 3.666 -2.504 -10.574 417 2HE2 GLN 51 2HE2 GLN 51 5.299 -3.035 -10.392 418 H ARG 52 H ARG 52 1.104 -0.520 -4.915 419 HA ARG 52 HA ARG 52 2.927 0.318 -2.841 420 1HB ARG 52 2HB ARG 52 0.051 1.194 -3.005 421 2HB ARG 52 1HB ARG 52 0.894 1.086 -1.472 422 1HG ARG 52 2HG ARG 52 2.204 2.649 -3.601 423 2HG ARG 52 1HG ARG 52 0.725 3.310 -2.894 424 1HD ARG 52 2HD ARG 52 2.808 2.262 -1.053 425 2HD ARG 52 1HD ARG 52 3.119 3.799 -1.861 426 HE ARG 52 HE ARG 52 0.698 4.276 -0.911 427 1HH1 ARG 52 1HH1 ARG 52 3.344 2.632 0.719 428 2HH1 ARG 52 2HH1 ARG 52 2.947 3.268 2.285 429 1HH2 ARG 52 1HH2 ARG 52 0.190 5.124 1.099 430 2HH2 ARG 52 2HH2 ARG 52 1.137 4.700 2.508 431 H CYS 53 H CYS 53 3.242 -1.373 -1.551 432 HA CYS 53 HA CYS 53 0.902 -2.984 -0.881 433 1HB CYS 53 2HB CYS 53 2.545 -4.105 -2.572 434 2HB CYS 53 1HB CYS 53 3.590 -4.301 -1.167 435 H LEU 54 H LEU 54 0.595 -2.846 1.245 436 HA LEU 54 HA LEU 54 2.930 -2.127 2.887 437 1HB LEU 54 2HB LEU 54 1.301 -0.248 2.286 438 2HB LEU 54 1HB LEU 54 0.158 -1.056 3.342 439 HG LEU 54 HG LEU 54 1.704 -0.785 5.233 440 1HD1 LEU 54 1HD1 LEU 54 3.800 -0.816 3.973 441 2HD1 LEU 54 2HD1 LEU 54 3.687 0.615 4.998 442 3HD1 LEU 54 3HD1 LEU 54 3.400 0.748 3.262 443 1HD2 LEU 54 1HD2 LEU 54 0.016 0.910 4.846 444 2HD2 LEU 54 2HD2 LEU 54 1.084 1.753 3.725 445 3HD2 LEU 54 3HD2 LEU 54 1.499 1.659 5.438 446 H ASN 55 H ASN 55 3.015 -2.934 4.945 447 HA ASN 55 HA ASN 55 1.298 -5.248 5.432 448 1HB ASN 55 2HB ASN 55 3.574 -4.596 7.238 449 2HB ASN 55 1HB ASN 55 3.027 -6.155 6.640 450 1HD2 ASN 55 1HD2 ASN 55 3.655 -6.822 4.544 451 2HD2 ASN 55 2HD2 ASN 55 5.069 -6.132 3.806 452 HA PRO 56 HA PRO 56 -0.847 -3.423 8.839 453 1HB PRO 56 2HB PRO 56 -0.873 -5.381 10.716 454 2HB PRO 56 1HB PRO 56 -1.834 -5.458 9.235 455 1HG PRO 56 2HG PRO 56 0.794 -6.751 9.856 456 2HG PRO 56 1HG PRO 56 -0.627 -7.438 9.047 457 1HD PRO 56 2HD PRO 56 1.536 -6.552 7.685 458 2HD PRO 56 1HD PRO 56 -0.110 -6.453 7.028 459 H LYS 57 H LYS 57 2.418 -4.221 9.119 460 HA LYS 57 HA LYS 57 2.771 -3.439 11.857 461 1HB LYS 57 2HB LYS 57 5.161 -3.645 11.423 462 2HB LYS 57 1HB LYS 57 4.299 -5.045 10.806 463 1HG LYS 57 2HG LYS 57 4.397 -4.022 8.536 464 2HG LYS 57 1HG LYS 57 5.421 -2.751 9.212 465 1HD LYS 57 2HD LYS 57 7.002 -4.521 9.977 466 2HD LYS 57 1HD LYS 57 6.014 -5.708 9.125 467 1HE LYS 57 2HE LYS 57 7.808 -5.169 7.678 468 2HE LYS 57 1HE LYS 57 6.385 -4.351 7.035 469 1HZ LYS 57 1HZ LYS 57 7.137 -2.303 8.109 470 2HZ LYS 57 2HZ LYS 57 8.293 -2.889 7.018 471 3HZ LYS 57 3HZ LYS 57 8.521 -3.101 8.676 472 H SER 58 H SER 58 2.583 -1.817 8.825 473 HA SER 58 HA SER 58 3.690 0.657 9.856 474 1HB SER 58 2HB SER 58 2.124 0.163 7.307 475 2HB SER 58 1HB SER 58 3.055 1.610 7.697 476 HG SER 58 HG SER 58 4.576 0.563 6.667 477 H LYS 59 H LYS 59 0.555 -0.753 9.101 478 HA LYS 59 HA LYS 59 -1.552 -0.346 9.831 479 1HB LYS 59 2HB LYS 59 -0.071 -0.101 12.026 480 2HB LYS 59 1HB LYS 59 -0.606 1.568 11.916 481 1HG LYS 59 2HG LYS 59 -2.700 -0.493 11.670 482 2HG LYS 59 1HG LYS 59 -1.934 -0.333 13.248 483 1HD LYS 59 2HD LYS 59 -3.204 1.921 11.697 484 2HD LYS 59 1HD LYS 59 -3.968 1.044 13.024 485 1HE LYS 59 2HE LYS 59 -1.482 2.749 13.167 486 2HE LYS 59 1HE LYS 59 -3.063 3.118 13.857 487 1HZ LYS 59 1HZ LYS 59 -1.830 2.304 15.640 488 2HZ LYS 59 2HZ LYS 59 -1.106 1.080 14.724 489 3HZ LYS 59 3HZ LYS 59 -2.742 0.959 15.154 490 H GLN 60 H GLN 60 0.007 1.555 8.022 491 HA GLN 60 HA GLN 60 -1.287 4.103 8.431 492 1HB GLN 60 2HB GLN 60 0.988 4.118 7.621 493 2HB GLN 60 1HB GLN 60 0.548 3.095 6.261 494 1HG GLN 60 2HG GLN 60 -0.839 4.875 5.352 495 2HG GLN 60 1HG GLN 60 -0.429 5.903 6.723 496 1HE2 GLN 60 1HE2 GLN 60 1.582 6.826 6.847 497 2HE2 GLN 60 2HE2 GLN 60 2.682 6.850 5.511 498 H ALA 61 H ALA 61 -1.332 1.546 5.969 499 HA ALA 61 HA ALA 61 -3.307 2.745 4.348 500 1HB ALA 61 1HB ALA 61 -1.783 1.009 3.534 501 2HB ALA 61 2HB ALA 61 -3.470 0.576 3.258 502 3HB ALA 61 3HB ALA 61 -2.572 -0.171 4.580 503 H ARG 62 H ARG 62 -3.458 1.313 7.351 504 HA ARG 62 HA ARG 62 -6.046 0.156 7.276 505 1HB ARG 62 2HB ARG 62 -4.412 1.188 9.601 506 2HB ARG 62 1HB ARG 62 -5.820 0.149 9.732 507 1HG ARG 62 2HG ARG 62 -3.222 -0.570 8.389 508 2HG ARG 62 1HG ARG 62 -3.750 -1.109 9.984 509 1HD ARG 62 2HD ARG 62 -5.181 -1.687 7.391 510 2HD ARG 62 1HD ARG 62 -4.109 -2.809 8.227 511 HE ARG 62 HE ARG 62 -6.157 -1.917 9.968 512 1HH1 ARG 62 1HH1 ARG 62 -5.591 -4.101 7.270 513 2HH1 ARG 62 2HH1 ARG 62 -6.916 -5.141 7.687 514 1HH2 ARG 62 1HH2 ARG 62 -7.911 -3.270 10.477 515 2HH2 ARG 62 2HH2 ARG 62 -8.228 -4.676 9.492 516 H LEU 63 H LEU 63 -4.765 3.349 7.793 517 HA LEU 63 HA LEU 63 -7.363 4.447 8.497 518 1HB LEU 63 2HB LEU 63 -4.624 5.642 8.163 519 2HB LEU 63 1HB LEU 63 -6.047 6.651 8.303 520 HG LEU 63 HG LEU 63 -6.499 5.597 10.530 521 1HD1 LEU 63 1HD1 LEU 63 -4.701 4.410 11.655 522 2HD1 LEU 63 2HD1 LEU 63 -3.731 4.457 10.184 523 3HD1 LEU 63 3HD1 LEU 63 -5.231 3.532 10.219 524 1HD2 LEU 63 1HD2 LEU 63 -4.776 6.881 11.702 525 2HD2 LEU 63 2HD2 LEU 63 -5.443 7.778 10.339 526 3HD2 LEU 63 3HD2 LEU 63 -3.860 7.015 10.201 527 H ILE 64 H ILE 64 -5.680 3.619 5.761 528 HA ILE 64 HA ILE 64 -6.986 5.616 4.132 529 HB ILE 64 HB ILE 64 -5.199 3.328 3.253 530 1HG1 ILE 64 2HG1 ILE 64 -4.522 6.239 3.760 531 2HG1 ILE 64 1HG1 ILE 64 -4.019 4.876 4.757 532 1HG2 ILE 64 1HG2 ILE 64 -6.048 5.823 1.773 533 2HG2 ILE 64 2HG2 ILE 64 -6.631 4.188 1.461 534 3HG2 ILE 64 3HG2 ILE 64 -4.939 4.590 1.173 535 1HD1 ILE 64 1HD1 ILE 64 -3.220 5.358 1.894 536 2HD1 ILE 64 2HD1 ILE 64 -2.715 3.997 2.897 537 3HD1 ILE 64 3HD1 ILE 64 -2.218 5.634 3.320 538 H ILE 65 H ILE 65 -7.739 2.654 5.439 539 HA ILE 65 HA ILE 65 -9.035 1.365 3.287 540 HB ILE 65 HB ILE 65 -9.446 1.084 6.262 541 1HG1 ILE 65 2HG1 ILE 65 -7.280 0.302 5.437 542 2HG1 ILE 65 1HG1 ILE 65 -8.277 -1.060 5.933 543 1HG2 ILE 65 1HG2 ILE 65 -10.635 -0.560 4.027 544 2HG2 ILE 65 2HG2 ILE 65 -11.515 0.542 5.087 545 3HG2 ILE 65 3HG2 ILE 65 -10.768 -0.915 5.753 546 1HD1 ILE 65 1HD1 ILE 65 -8.822 -1.513 3.596 547 2HD1 ILE 65 2HD1 ILE 65 -7.081 -1.546 3.879 548 3HD1 ILE 65 3HD1 ILE 65 -7.820 -0.148 3.101 549 H LYS 66 H LYS 66 -10.279 3.491 5.867 550 HA LYS 66 HA LYS 66 -12.925 3.512 4.905 551 1HB LYS 66 2HB LYS 66 -12.357 4.264 7.159 552 2HB LYS 66 1HB LYS 66 -11.418 5.595 6.504 553 1HG LYS 66 2HG LYS 66 -13.593 6.318 7.357 554 2HG LYS 66 1HG LYS 66 -13.419 6.629 5.630 555 1HD LYS 66 2HD LYS 66 -14.685 4.544 5.176 556 2HD LYS 66 1HD LYS 66 -14.952 4.367 6.913 557 1HE LYS 66 2HE LYS 66 -16.145 6.475 6.969 558 2HE LYS 66 1HE LYS 66 -15.807 6.741 5.260 559 1HZ LYS 66 1HZ LYS 66 -18.063 5.889 5.683 560 2HZ LYS 66 2HZ LYS 66 -17.399 4.469 6.326 561 3HZ LYS 66 3HZ LYS 66 -17.155 4.856 4.691 562 H LYS 67 H LYS 67 -10.152 4.626 3.488 563 HA LYS 67 HA LYS 67 -11.426 6.852 2.108 564 1HB LYS 67 2HB LYS 67 -8.584 5.866 1.824 565 2HB LYS 67 1HB LYS 67 -9.242 7.355 1.168 566 1HG LYS 67 2HG LYS 67 -8.809 6.697 4.074 567 2HG LYS 67 1HG LYS 67 -7.908 7.856 3.095 568 1HD LYS 67 2HD LYS 67 -10.039 9.122 2.777 569 2HD LYS 67 1HD LYS 67 -10.801 8.030 3.936 570 1HE LYS 67 2HE LYS 67 -8.462 9.864 4.448 571 2HE LYS 67 1HE LYS 67 -10.108 10.078 5.039 572 1HZ LYS 67 1HZ LYS 67 -8.295 7.834 5.759 573 2HZ LYS 67 2HZ LYS 67 -9.867 8.060 6.350 574 3HZ LYS 67 3HZ LYS 67 -8.645 9.169 6.737 575 H VAL 68 H VAL 68 -10.141 3.652 1.671 576 HA VAL 68 HA VAL 68 -10.622 3.510 -1.145 577 HB VAL 68 HB VAL 68 -9.918 1.305 -1.055 578 1HG1 VAL 68 1HG1 VAL 68 -8.145 2.751 -0.344 579 2HG1 VAL 68 2HG1 VAL 68 -8.024 1.202 0.491 580 3HG1 VAL 68 3HG1 VAL 68 -8.664 2.613 1.334 581 1HG2 VAL 68 1HG2 VAL 68 -11.585 0.400 0.441 582 2HG2 VAL 68 2HG2 VAL 68 -10.780 1.139 1.824 583 3HG2 VAL 68 3HG2 VAL 68 -9.981 -0.149 0.920 584 H GLU 69 H GLU 69 -12.407 3.119 1.753 585 HA GLU 69 HA GLU 69 -14.538 1.567 0.576 586 1HB GLU 69 2HB GLU 69 -14.185 2.892 3.250 587 2HB GLU 69 1HB GLU 69 -15.714 2.158 2.780 588 1HG GLU 69 2HG GLU 69 -13.054 0.748 2.911 589 2HG GLU 69 1HG GLU 69 -14.347 0.629 4.105 590 H ARG 70 H ARG 70 -13.660 4.651 0.125 591 HA ARG 70 HA ARG 70 -16.213 5.942 0.044 592 1HB ARG 70 2HB ARG 70 -13.603 6.591 -1.333 593 2HB ARG 70 1HB ARG 70 -15.005 7.643 -1.337 594 1HG ARG 70 2HG ARG 70 -14.859 7.859 1.087 595 2HG ARG 70 1HG ARG 70 -13.454 6.785 1.089 596 1HD ARG 70 2HD ARG 70 -12.611 9.005 1.152 597 2HD ARG 70 1HD ARG 70 -12.353 8.388 -0.480 598 HE ARG 70 HE ARG 70 -14.784 9.923 -0.090 599 1HH1 ARG 70 1HH1 ARG 70 -11.426 9.911 -1.124 600 2HH1 ARG 70 2HH1 ARG 70 -11.587 11.359 -2.076 601 1HH2 ARG 70 1HH2 ARG 70 -14.978 11.855 -1.298 602 2HH2 ARG 70 2HH2 ARG 70 -13.593 12.480 -2.146 603 H LYS 71 H LYS 71 -17.336 4.153 -1.009 604 HA LYS 71 HA LYS 71 -16.722 3.693 -3.825 605 1HB LYS 71 2HB LYS 71 -18.952 2.481 -2.182 606 2HB LYS 71 1HB LYS 71 -18.301 1.884 -3.700 607 1HG LYS 71 2HG LYS 71 -16.640 2.045 -1.205 608 2HG LYS 71 1HG LYS 71 -17.650 0.651 -1.580 609 1HD LYS 71 2HD LYS 71 -16.421 0.199 -3.570 610 2HD LYS 71 1HD LYS 71 -15.541 1.724 -3.446 611 1HE LYS 71 2HE LYS 71 -14.182 -0.200 -2.741 612 2HE LYS 71 1HE LYS 71 -14.429 0.959 -1.437 613 1HZ LYS 71 1HZ LYS 71 -16.346 -0.557 -0.755 614 2HZ LYS 71 2HZ LYS 71 -14.774 -1.099 -0.452 615 3HZ LYS 71 3HZ LYS 71 -15.640 -1.717 -1.774 616 H ASN 72 H ASN 72 -18.708 5.585 -1.848 617 HA ASN 72 HA ASN 72 -20.487 6.266 -4.098 618 1HB ASN 72 2HB ASN 72 -21.678 5.077 -2.275 619 2HB ASN 72 1HB ASN 72 -21.122 6.293 -1.132 620 1HD2 ASN 72 1HD2 ASN 72 -23.158 6.928 -0.554 621 2HD2 ASN 72 2HD2 ASN 72 -24.198 7.818 -1.608 622 H PHE 73 H PHE 73 -21.270 8.551 -4.002 623 HA PHE 73 HA PHE 73 -19.096 10.278 -3.162 624 1HB PHE 73 2HB PHE 73 -20.277 12.070 -4.378 625 2HB PHE 73 1HB PHE 73 -19.997 10.663 -5.392 626 HD1 PHE 73 1HD PHE 73 -22.039 8.965 -5.474 627 HD2 PHE 73 2HD PHE 73 -22.318 13.080 -4.437 628 HE1 PHE 73 1HE PHE 73 -24.421 8.956 -6.088 629 HE2 PHE 73 2HE PHE 73 -24.700 13.077 -5.042 630 HZ PHE 73 HZ PHE 73 -25.757 11.013 -5.868 Start of MODEL 4 1 1H PHE 1 1HT PHE 1 15.222 -20.526 6.904 2 2H PHE 1 2HT PHE 1 16.720 -21.191 6.472 3 3H PHE 1 3HT PHE 1 15.448 -21.178 5.355 4 HA PHE 1 HA PHE 1 16.814 -18.791 6.445 5 1HB PHE 1 2HB PHE 1 16.911 -20.127 3.725 6 2HB PHE 1 1HB PHE 1 17.581 -18.532 4.067 7 HD1 PHE 1 1HD PHE 1 19.215 -18.510 6.176 8 HD2 PHE 1 2HD PHE 1 18.348 -21.912 3.763 9 HE1 PHE 1 1HE PHE 1 21.336 -19.542 6.874 10 HE2 PHE 1 2HE PHE 1 20.466 -22.949 4.463 11 HZ PHE 1 HZ PHE 1 21.963 -21.763 6.019 12 HA PRO 2 HA PRO 2 13.600 -16.012 5.169 13 1HB PRO 2 2HB PRO 2 14.644 -15.028 2.707 14 2HB PRO 2 1HB PRO 2 14.700 -14.254 4.290 15 1HG PRO 2 2HG PRO 2 16.770 -15.847 2.894 16 2HG PRO 2 1HG PRO 2 16.956 -14.548 4.085 17 1HD PRO 2 2HD PRO 2 17.413 -17.109 4.729 18 2HD PRO 2 1HD PRO 2 16.659 -15.985 5.883 19 H MET 3 H MET 3 14.941 -17.608 2.252 20 HA MET 3 HA MET 3 12.181 -18.123 1.398 21 1HB MET 3 2HB MET 3 14.787 -18.434 -0.107 22 2HB MET 3 1HB MET 3 13.208 -18.867 -0.750 23 1HG MET 3 2HG MET 3 12.506 -16.498 -0.414 24 2HG MET 3 1HG MET 3 14.175 -16.125 0.014 25 1HE MET 3 1HE MET 3 16.222 -16.375 -1.665 26 2HE MET 3 2HE MET 3 16.062 -16.919 -3.338 27 3HE MET 3 3HE MET 3 15.785 -18.048 -2.013 28 H PHE 4 H PHE 4 12.006 -19.617 3.208 29 HA PHE 4 HA PHE 4 13.486 -22.064 3.182 30 1HB PHE 4 2HB PHE 4 12.413 -21.079 5.222 31 2HB PHE 4 1HB PHE 4 10.844 -21.482 4.539 32 HD1 PHE 4 1HD PHE 4 9.905 -23.578 4.897 33 HD2 PHE 4 2HD PHE 4 14.058 -22.991 5.622 34 HE1 PHE 4 1HE PHE 4 10.042 -25.817 5.907 35 HE2 PHE 4 2HE PHE 4 14.203 -25.230 6.631 36 HZ PHE 4 HZ PHE 4 12.195 -26.645 6.774 37 H LYS 5 H LYS 5 10.220 -21.119 2.227 38 HA LYS 5 HA LYS 5 10.240 -23.255 0.227 39 1HB LYS 5 2HB LYS 5 7.946 -22.673 2.118 40 2HB LYS 5 1HB LYS 5 7.828 -23.706 0.703 41 1HG LYS 5 2HG LYS 5 9.509 -25.209 1.678 42 2HG LYS 5 1HG LYS 5 9.572 -24.181 3.109 43 1HD LYS 5 2HD LYS 5 8.138 -26.125 3.482 44 2HD LYS 5 1HD LYS 5 7.210 -24.625 3.546 45 1HE LYS 5 2HE LYS 5 6.396 -24.988 1.300 46 2HE LYS 5 1HE LYS 5 7.408 -26.423 1.134 47 1HZ LYS 5 1HZ LYS 5 5.083 -26.953 1.642 48 2HZ LYS 5 2HZ LYS 5 5.204 -26.117 3.110 49 3HZ LYS 5 3HZ LYS 5 6.138 -27.512 2.847 50 H ARG 6 H ARG 6 10.264 -22.110 -1.587 51 HA ARG 6 HA ARG 6 9.638 -20.713 -3.255 52 1HB ARG 6 2HB ARG 6 7.344 -21.378 -2.852 53 2HB ARG 6 1HB ARG 6 7.206 -20.230 -1.530 54 1HG ARG 6 2HG ARG 6 7.415 -18.379 -3.078 55 2HG ARG 6 1HG ARG 6 7.651 -19.503 -4.417 56 1HD ARG 6 2HD ARG 6 5.421 -20.392 -4.100 57 2HD ARG 6 1HD ARG 6 5.184 -19.361 -2.691 58 HE ARG 6 HE ARG 6 5.543 -17.470 -4.393 59 1HH1 ARG 6 1HH1 ARG 6 3.978 -20.528 -5.092 60 2HH1 ARG 6 2HH1 ARG 6 2.970 -19.872 -6.350 61 1HH2 ARG 6 1HH2 ARG 6 4.232 -16.605 -6.053 62 2HH2 ARG 6 2HH2 ARG 6 3.122 -17.643 -6.903 63 H GLY 7 H GLY 7 8.448 -18.940 -0.389 64 1HA GLY 7 2HA GLY 7 10.461 -17.247 0.163 65 2HA GLY 7 1HA GLY 7 9.805 -16.551 -1.312 66 H ARG 8 H ARG 8 9.847 -15.189 1.118 67 HA ARG 8 HA ARG 8 7.223 -15.363 2.315 68 1HB ARG 8 2HB ARG 8 9.424 -13.327 2.718 69 2HB ARG 8 1HB ARG 8 7.973 -13.472 3.697 70 1HG ARG 8 2HG ARG 8 8.692 -15.657 4.476 71 2HG ARG 8 1HG ARG 8 10.128 -15.563 3.453 72 1HD ARG 8 2HD ARG 8 10.874 -13.584 4.686 73 2HD ARG 8 1HD ARG 8 9.441 -13.676 5.707 74 HE ARG 8 HE ARG 8 10.673 -16.127 5.943 75 1HH1 ARG 8 1HH1 ARG 8 11.554 -12.781 6.540 76 2HH1 ARG 8 2HH1 ARG 8 12.655 -13.163 7.830 77 1HH2 ARG 8 1HH2 ARG 8 12.133 -16.637 7.630 78 2HH2 ARG 8 2HH2 ARG 8 12.974 -15.358 8.452 79 H CYS 9 H CYS 9 5.547 -13.924 2.035 80 HA CYS 9 HA CYS 9 5.460 -12.322 -0.308 81 1HB CYS 9 2HB CYS 9 3.595 -12.172 2.081 82 2HB CYS 9 1HB CYS 9 3.257 -11.665 0.430 83 H LEU 10 H LEU 10 7.032 -10.784 -0.312 84 HA LEU 10 HA LEU 10 7.656 -9.238 1.999 85 1HB LEU 10 2HB LEU 10 9.242 -8.053 0.595 86 2HB LEU 10 1HB LEU 10 9.393 -9.783 0.392 87 HG LEU 10 HG LEU 10 7.885 -8.058 -1.576 88 1HD1 LEU 10 1HD1 LEU 10 9.922 -8.093 -2.946 89 2HD1 LEU 10 2HD1 LEU 10 10.795 -8.855 -1.615 90 3HD1 LEU 10 3HD1 LEU 10 10.159 -7.220 -1.432 91 1HD2 LEU 10 1HD2 LEU 10 9.149 -10.792 -1.806 92 2HD2 LEU 10 2HD2 LEU 10 8.306 -9.929 -3.093 93 3HD2 LEU 10 3HD2 LEU 10 7.423 -10.462 -1.663 94 H CYS 11 H CYS 11 6.402 -7.727 2.751 95 HA CYS 11 HA CYS 11 5.114 -5.903 0.837 96 1HB CYS 11 2HB CYS 11 3.459 -7.107 2.176 97 2HB CYS 11 1HB CYS 11 4.259 -6.595 3.659 98 H ILE 12 H ILE 12 6.129 -4.057 0.692 99 HA ILE 12 HA ILE 12 7.067 -2.711 3.104 100 HB ILE 12 HB ILE 12 9.030 -3.939 2.191 101 1HG1 ILE 12 2HG1 ILE 12 9.201 -0.942 1.812 102 2HG1 ILE 12 1HG1 ILE 12 9.363 -1.791 3.345 103 1HG2 ILE 12 1HG2 ILE 12 9.972 -3.284 0.023 104 2HG2 ILE 12 2HG2 ILE 12 8.555 -2.277 -0.274 105 3HG2 ILE 12 3HG2 ILE 12 8.379 -4.027 -0.140 106 1HD1 ILE 12 1HD1 ILE 12 11.526 -1.148 2.451 107 2HD1 ILE 12 2HD1 ILE 12 11.200 -2.063 0.978 108 3HD1 ILE 12 3HD1 ILE 12 11.369 -2.902 2.522 109 H GLY 13 H GLY 13 7.423 -0.345 2.607 110 1HA GLY 13 2HA GLY 13 5.381 0.561 0.804 111 2HA GLY 13 1HA GLY 13 6.420 1.586 1.760 112 HA PRO 14 HA PRO 14 8.369 0.714 -2.499 113 1HB PRO 14 2HB PRO 14 6.454 0.172 -4.400 114 2HB PRO 14 1HB PRO 14 7.265 -1.066 -3.441 115 1HG PRO 14 2HG PRO 14 4.511 -0.203 -3.353 116 2HG PRO 14 1HG PRO 14 5.277 -1.558 -2.512 117 1HD PRO 14 2HD PRO 14 4.620 1.117 -1.493 118 2HD PRO 14 1HD PRO 14 5.027 -0.362 -0.611 119 H GLY 15 H GLY 15 7.067 3.049 -1.317 120 1HA GLY 15 2HA GLY 15 7.449 4.983 -3.264 121 2HA GLY 15 1HA GLY 15 5.734 4.591 -3.276 122 H VAL 16 H VAL 16 4.451 5.600 -1.876 123 HA VAL 16 HA VAL 16 5.448 6.827 0.543 124 HB VAL 16 HB VAL 16 4.614 9.124 -0.167 125 1HG1 VAL 16 1HG1 VAL 16 6.999 8.639 0.055 126 2HG1 VAL 16 2HG1 VAL 16 6.691 9.780 -1.253 127 3HG1 VAL 16 3HG1 VAL 16 7.045 8.091 -1.622 128 1HG2 VAL 16 1HG2 VAL 16 4.610 9.636 -2.563 129 2HG2 VAL 16 2HG2 VAL 16 3.367 8.457 -2.144 130 3HG2 VAL 16 3HG2 VAL 16 4.857 7.928 -2.925 131 H LYS 17 H LYS 17 3.318 8.640 0.903 132 HA LYS 17 HA LYS 17 0.878 7.236 0.124 133 1HB LYS 17 2HB LYS 17 1.715 6.624 2.528 134 2HB LYS 17 1HB LYS 17 1.114 8.222 2.947 135 1HG LYS 17 2HG LYS 17 -0.940 7.037 1.481 136 2HG LYS 17 1HG LYS 17 -0.332 5.769 2.546 137 1HD LYS 17 2HD LYS 17 -2.028 6.870 3.761 138 2HD LYS 17 1HD LYS 17 -0.504 7.463 4.426 139 1HE LYS 17 2HE LYS 17 -2.043 9.307 4.122 140 2HE LYS 17 1HE LYS 17 -0.688 9.463 3.005 141 1HZ LYS 17 1HZ LYS 17 -2.152 8.419 1.282 142 2HZ LYS 17 2HZ LYS 17 -2.665 9.943 1.813 143 3HZ LYS 17 3HZ LYS 17 -3.444 8.558 2.374 144 H ALA 18 H ALA 18 0.694 9.008 -1.323 145 HA ALA 18 HA ALA 18 -0.833 11.181 -0.353 146 1HB ALA 18 1HB ALA 18 0.678 13.030 -0.897 147 2HB ALA 18 2HB ALA 18 1.967 11.877 -1.247 148 3HB ALA 18 3HB ALA 18 1.337 12.025 0.395 149 H VAL 19 H VAL 19 -2.271 11.304 -1.949 150 HA VAL 19 HA VAL 19 -1.642 12.083 -4.573 151 HB VAL 19 HB VAL 19 -0.890 9.612 -4.455 152 1HG1 VAL 19 1HG1 VAL 19 -2.619 7.971 -5.042 153 2HG1 VAL 19 2HG1 VAL 19 -3.845 9.188 -4.690 154 3HG1 VAL 19 3HG1 VAL 19 -2.773 8.622 -3.412 155 1HG2 VAL 19 1HG2 VAL 19 -1.821 9.211 -6.813 156 2HG2 VAL 19 2HG2 VAL 19 -0.746 10.576 -6.526 157 3HG2 VAL 19 3HG2 VAL 19 -2.480 10.838 -6.655 158 H LYS 20 H LYS 20 -3.948 10.812 -5.834 159 HA LYS 20 HA LYS 20 -6.048 12.459 -4.953 160 1HB LYS 20 2HB LYS 20 -5.583 10.995 -7.186 161 2HB LYS 20 1HB LYS 20 -6.737 9.947 -6.361 162 1HG LYS 20 2HG LYS 20 -7.977 11.343 -7.817 163 2HG LYS 20 1HG LYS 20 -8.264 11.923 -6.176 164 1HD LYS 20 2HD LYS 20 -7.921 13.842 -7.544 165 2HD LYS 20 1HD LYS 20 -6.460 13.631 -6.575 166 1HE LYS 20 2HE LYS 20 -5.835 14.154 -8.843 167 2HE LYS 20 1HE LYS 20 -5.401 12.482 -8.493 168 1HZ LYS 20 1HZ LYS 20 -7.633 13.490 -10.158 169 2HZ LYS 20 2HZ LYS 20 -7.615 11.910 -9.560 170 3HZ LYS 20 3HZ LYS 20 -6.383 12.424 -10.597 171 H VAL 21 H VAL 21 -8.231 11.513 -4.297 172 HA VAL 21 HA VAL 21 -7.803 9.442 -2.267 173 HB VAL 21 HB VAL 21 -9.989 10.357 -1.281 174 1HG1 VAL 21 1HG1 VAL 21 -8.792 12.137 -0.075 175 2HG1 VAL 21 2HG1 VAL 21 -7.497 12.060 -1.270 176 3HG1 VAL 21 3HG1 VAL 21 -7.820 10.673 -0.229 177 1HG2 VAL 21 1HG2 VAL 21 -9.240 12.701 -3.032 178 2HG2 VAL 21 2HG2 VAL 21 -10.467 12.710 -1.766 179 3HG2 VAL 21 3HG2 VAL 21 -10.686 11.703 -3.197 180 H ALA 22 H ALA 22 -8.179 7.644 -3.296 181 HA ALA 22 HA ALA 22 -9.564 5.832 -3.539 182 1HB ALA 22 1HB ALA 22 -11.850 7.751 -3.928 183 2HB ALA 22 2HB ALA 22 -11.376 7.026 -2.391 184 3HB ALA 22 3HB ALA 22 -11.961 6.004 -3.705 185 H ASP 23 H ASP 23 -8.883 8.239 -5.691 186 HA ASP 23 HA ASP 23 -9.782 6.818 -8.060 187 1HB ASP 23 2HB ASP 23 -8.674 9.401 -7.488 188 2HB ASP 23 1HB ASP 23 -7.606 8.588 -8.625 189 H ILE 24 H ILE 24 -6.638 7.812 -6.881 190 HA ILE 24 HA ILE 24 -5.670 5.058 -7.015 191 HB ILE 24 HB ILE 24 -3.371 6.339 -6.992 192 1HG1 ILE 24 2HG1 ILE 24 -4.622 8.598 -7.036 193 2HG1 ILE 24 1HG1 ILE 24 -3.243 8.394 -8.106 194 1HG2 ILE 24 1HG2 ILE 24 -4.014 4.685 -8.604 195 2HG2 ILE 24 2HG2 ILE 24 -3.282 6.055 -9.448 196 3HG2 ILE 24 3HG2 ILE 24 -5.034 5.847 -9.459 197 1HD1 ILE 24 1HD1 ILE 24 -6.140 8.201 -8.896 198 2HD1 ILE 24 2HD1 ILE 24 -4.763 7.990 -9.976 199 3HD1 ILE 24 3HD1 ILE 24 -5.057 9.554 -9.216 200 H GLU 25 H GLU 25 -3.772 4.950 -5.432 201 HA GLU 25 HA GLU 25 -3.510 4.475 -3.252 202 1HB GLU 25 2HB GLU 25 -3.205 6.949 -3.130 203 2HB GLU 25 1HB GLU 25 -4.925 7.098 -2.771 204 1HG GLU 25 2HG GLU 25 -4.678 5.915 -0.699 205 2HG GLU 25 1HG GLU 25 -3.005 5.512 -1.074 206 H LYS 26 H LYS 26 -4.936 2.875 -3.920 207 HA LYS 26 HA LYS 26 -7.486 2.898 -2.496 208 1HB LYS 26 2HB LYS 26 -7.906 3.356 -4.907 209 2HB LYS 26 1HB LYS 26 -7.079 1.862 -5.318 210 1HG LYS 26 2HG LYS 26 -8.797 0.615 -4.049 211 2HG LYS 26 1HG LYS 26 -9.648 2.137 -3.773 212 1HD LYS 26 2HD LYS 26 -9.887 2.446 -6.181 213 2HD LYS 26 1HD LYS 26 -9.020 0.935 -6.468 214 1HE LYS 26 2HE LYS 26 -10.800 -0.229 -5.144 215 2HE LYS 26 1HE LYS 26 -11.691 1.293 -5.123 216 1HZ LYS 26 1HZ LYS 26 -11.712 1.249 -7.555 217 2HZ LYS 26 2HZ LYS 26 -12.469 -0.119 -6.899 218 3HZ LYS 26 3HZ LYS 26 -10.907 -0.242 -7.540 219 H ALA 27 H ALA 27 -6.365 1.730 -0.937 220 HA ALA 27 HA ALA 27 -5.108 -0.774 -1.621 221 1HB ALA 27 1HB ALA 27 -4.108 0.596 0.079 222 2HB ALA 27 2HB ALA 27 -4.690 -0.897 0.812 223 3HB ALA 27 3HB ALA 27 -5.602 0.599 1.015 224 H SER 28 H SER 28 -6.587 -2.215 -2.268 225 HA SER 28 HA SER 28 -8.740 -2.843 -0.357 226 1HB SER 28 2HB SER 28 -8.718 -2.987 -3.362 227 2HB SER 28 1HB SER 28 -10.018 -3.619 -2.348 228 HG SER 28 HG SER 28 -9.150 -0.918 -2.494 229 H ILE 29 H ILE 29 -6.719 -4.174 0.348 230 HA ILE 29 HA ILE 29 -7.746 -6.794 -0.052 231 HB ILE 29 HB ILE 29 -6.031 -6.667 -1.874 232 1HG1 ILE 29 2HG1 ILE 29 -5.317 -8.618 0.326 233 2HG1 ILE 29 1HG1 ILE 29 -6.700 -8.800 -0.750 234 1HG2 ILE 29 1HG2 ILE 29 -4.103 -6.421 0.427 235 2HG2 ILE 29 2HG2 ILE 29 -4.440 -5.195 -0.798 236 3HG2 ILE 29 3HG2 ILE 29 -3.660 -6.710 -1.257 237 1HD1 ILE 29 1HD1 ILE 29 -3.808 -8.740 -1.584 238 2HD1 ILE 29 2HD1 ILE 29 -5.190 -8.917 -2.665 239 3HD1 ILE 29 3HD1 ILE 29 -4.836 -10.171 -1.475 240 H MET 30 H MET 30 -7.316 -8.057 1.841 241 HA MET 30 HA MET 30 -5.143 -7.168 3.520 242 1HB MET 30 2HB MET 30 -7.209 -5.889 4.269 243 2HB MET 30 1HB MET 30 -7.856 -7.437 4.807 244 1HG MET 30 2HG MET 30 -6.075 -7.717 6.371 245 2HG MET 30 1HG MET 30 -5.220 -6.320 5.724 246 1HE MET 30 1HE MET 30 -6.159 -5.035 9.255 247 2HE MET 30 2HE MET 30 -4.875 -5.274 8.068 248 3HE MET 30 3HE MET 30 -5.660 -6.667 8.810 249 H TYR 31 H TYR 31 -4.370 -9.117 2.677 250 HA TYR 31 HA TYR 31 -5.056 -11.378 4.385 251 1HB TYR 31 2HB TYR 31 -4.788 -11.685 1.375 252 2HB TYR 31 1HB TYR 31 -5.080 -12.969 2.536 253 HD1 TYR 31 1HD TYR 31 -6.561 -10.444 0.447 254 HD2 TYR 31 2HD TYR 31 -7.310 -13.065 3.715 255 HE1 TYR 31 1HE TYR 31 -8.977 -10.174 0.097 256 HE2 TYR 31 2HE TYR 31 -9.735 -12.803 3.374 257 HH TYR 31 HH TYR 31 -11.300 -11.207 2.372 258 HA PRO 32 HA PRO 32 -0.574 -11.784 4.157 259 1HB PRO 32 2HB PRO 32 -0.282 -14.473 4.368 260 2HB PRO 32 1HB PRO 32 -0.711 -13.444 5.740 261 1HG PRO 32 2HG PRO 32 -2.493 -15.098 3.984 262 2HG PRO 32 1HG PRO 32 -2.483 -14.961 5.757 263 1HD PRO 32 2HD PRO 32 -4.249 -13.604 4.247 264 2HD PRO 32 1HD PRO 32 -3.555 -12.907 5.725 265 H SER 33 H SER 33 -1.674 -11.361 1.643 266 HA SER 33 HA SER 33 -1.538 -11.778 -0.587 267 1HB SER 33 2HB SER 33 1.009 -13.166 0.281 268 2HB SER 33 1HB SER 33 0.592 -12.799 -1.395 269 HG SER 33 HG SER 33 0.299 -10.542 -0.438 270 H ASN 34 H ASN 34 -2.589 -13.845 1.394 271 HA ASN 34 HA ASN 34 -3.519 -15.895 1.463 272 1HB ASN 34 2HB ASN 34 -3.571 -15.545 -1.544 273 2HB ASN 34 1HB ASN 34 -4.508 -16.735 -0.649 274 1HD2 ASN 34 1HD2 ASN 34 -4.164 -13.399 -1.494 275 2HD2 ASN 34 2HD2 ASN 34 -5.695 -12.872 -0.893 276 H ASN 35 H ASN 35 -0.559 -15.750 1.280 277 HA ASN 35 HA ASN 35 -0.160 -18.565 0.560 278 1HB ASN 35 2HB ASN 35 0.401 -17.291 -1.489 279 2HB ASN 35 1HB ASN 35 1.529 -16.307 -0.566 280 1HD2 ASN 35 1HD2 ASN 35 3.533 -17.121 -0.062 281 2HD2 ASN 35 2HD2 ASN 35 4.138 -18.604 -0.708 282 H CYS 36 H CYS 36 -0.072 -16.393 2.827 283 HA CYS 36 HA CYS 36 2.578 -17.088 3.861 284 1HB CYS 36 2HB CYS 36 1.621 -14.380 3.043 285 2HB CYS 36 1HB CYS 36 2.813 -14.552 4.343 286 H ASP 37 H ASP 37 2.934 -15.711 5.906 287 HA ASP 37 HA ASP 37 0.530 -15.885 7.604 288 1HB ASP 37 2HB ASP 37 2.209 -16.063 9.493 289 2HB ASP 37 1HB ASP 37 2.162 -17.449 8.409 290 H LYS 38 H LYS 38 1.796 -13.807 5.811 291 HA LYS 38 HA LYS 38 1.838 -11.623 7.736 292 1HB LYS 38 2HB LYS 38 3.703 -10.586 6.397 293 2HB LYS 38 1HB LYS 38 4.140 -12.003 7.338 294 1HG LYS 38 2HG LYS 38 3.871 -13.364 5.307 295 2HG LYS 38 1HG LYS 38 3.644 -11.883 4.387 296 1HD LYS 38 2HD LYS 38 5.988 -12.804 4.353 297 2HD LYS 38 1HD LYS 38 5.839 -11.128 4.874 298 1HE LYS 38 2HE LYS 38 7.417 -12.345 6.278 299 2HE LYS 38 1HE LYS 38 6.015 -11.825 7.206 300 1HZ LYS 38 1HZ LYS 38 6.092 -14.538 6.058 301 2HZ LYS 38 2HZ LYS 38 5.244 -13.976 7.413 302 3HZ LYS 38 3HZ LYS 38 6.918 -14.200 7.496 303 H ILE 39 H ILE 39 0.611 -10.099 7.151 304 HA ILE 39 HA ILE 39 -1.040 -10.549 4.814 305 HB ILE 39 HB ILE 39 -2.621 -8.980 5.801 306 1HG1 ILE 39 2HG1 ILE 39 -0.597 -8.661 8.035 307 2HG1 ILE 39 1HG1 ILE 39 -0.927 -7.445 6.805 308 1HG2 ILE 39 1HG2 ILE 39 -3.124 -10.230 7.870 309 2HG2 ILE 39 2HG2 ILE 39 -1.542 -11.001 7.757 310 3HG2 ILE 39 3HG2 ILE 39 -2.749 -11.281 6.503 311 1HD1 ILE 39 1HD1 ILE 39 -2.063 -6.904 8.864 312 2HD1 ILE 39 2HD1 ILE 39 -2.864 -8.475 8.862 313 3HD1 ILE 39 3HD1 ILE 39 -3.239 -7.292 7.609 314 H GLU 40 H GLU 40 -1.690 -8.844 3.396 315 HA GLU 40 HA GLU 40 0.285 -6.702 3.150 316 1HB GLU 40 2HB GLU 40 1.194 -7.588 1.312 317 2HB GLU 40 1HB GLU 40 0.296 -9.054 1.666 318 1HG GLU 40 2HG GLU 40 -1.179 -7.002 0.186 319 2HG GLU 40 1HG GLU 40 0.189 -7.725 -0.657 320 H VAL 41 H VAL 41 -0.347 -5.014 1.665 321 HA VAL 41 HA VAL 41 -3.221 -4.823 1.104 322 HB VAL 41 HB VAL 41 -1.680 -3.106 2.933 323 1HG1 VAL 41 1HG1 VAL 41 -2.763 -1.007 2.291 324 2HG1 VAL 41 2HG1 VAL 41 -3.438 -1.786 0.862 325 3HG1 VAL 41 3HG1 VAL 41 -1.691 -1.583 1.011 326 1HG2 VAL 41 1HG2 VAL 41 -4.627 -3.416 2.379 327 2HG2 VAL 41 2HG2 VAL 41 -3.920 -2.569 3.753 328 3HG2 VAL 41 3HG2 VAL 41 -3.697 -4.310 3.586 329 H ILE 42 H ILE 42 -3.633 -3.977 -0.933 330 HA ILE 42 HA ILE 42 -1.218 -3.164 -2.396 331 HB ILE 42 HB ILE 42 -3.767 -4.219 -3.633 332 1HG1 ILE 42 2HG1 ILE 42 -1.131 -5.650 -3.132 333 2HG1 ILE 42 1HG1 ILE 42 -2.629 -5.956 -2.258 334 1HG2 ILE 42 1HG2 ILE 42 -1.012 -3.541 -4.660 335 2HG2 ILE 42 2HG2 ILE 42 -2.557 -2.839 -5.151 336 3HG2 ILE 42 3HG2 ILE 42 -2.168 -4.504 -5.588 337 1HD1 ILE 42 1HD1 ILE 42 -2.234 -7.646 -3.950 338 2HD1 ILE 42 2HD1 ILE 42 -2.171 -6.403 -5.200 339 3HD1 ILE 42 3HD1 ILE 42 -3.676 -6.705 -4.334 340 H ILE 43 H ILE 43 -1.084 -1.102 -2.550 341 HA ILE 43 HA ILE 43 -3.498 0.488 -3.130 342 HB ILE 43 HB ILE 43 -0.979 1.863 -2.423 343 1HG1 ILE 43 2HG1 ILE 43 -2.684 0.736 -0.197 344 2HG1 ILE 43 1HG1 ILE 43 -1.160 0.010 -0.707 345 1HG2 ILE 43 1HG2 ILE 43 -3.082 2.994 -3.056 346 2HG2 ILE 43 2HG2 ILE 43 -2.485 3.455 -1.453 347 3HG2 ILE 43 3HG2 ILE 43 -3.836 2.329 -1.597 348 1HD1 ILE 43 1HD1 ILE 43 -0.011 2.136 -0.200 349 2HD1 ILE 43 2HD1 ILE 43 -0.786 1.414 1.214 350 3HD1 ILE 43 3HD1 ILE 43 -1.541 2.784 0.398 351 H THR 44 H THR 44 -3.221 2.109 -4.645 352 HA THR 44 HA THR 44 -0.684 2.153 -6.029 353 HB THR 44 HB THR 44 -1.854 0.846 -7.545 354 HG1 THR 44 1HG THR 44 -2.035 3.602 -8.135 355 1HG2 THR 44 1HG2 THR 44 -4.088 1.002 -6.563 356 2HG2 THR 44 2HG2 THR 44 -4.154 1.287 -8.302 357 3HG2 THR 44 3HG2 THR 44 -4.260 2.645 -7.181 358 H LEU 45 H LEU 45 -0.390 4.024 -4.745 359 HA LEU 45 HA LEU 45 -2.288 6.183 -5.112 360 1HB LEU 45 2HB LEU 45 -1.004 7.353 -3.318 361 2HB LEU 45 1HB LEU 45 -1.818 5.888 -2.825 362 HG LEU 45 HG LEU 45 0.713 4.990 -3.409 363 1HD1 LEU 45 1HD1 LEU 45 2.231 6.511 -2.248 364 2HD1 LEU 45 2HD1 LEU 45 0.927 7.688 -2.080 365 3HD1 LEU 45 3HD1 LEU 45 1.538 7.269 -3.682 366 1HD2 LEU 45 1HD2 LEU 45 -0.663 4.359 -1.506 367 2HD2 LEU 45 2HD2 LEU 45 -0.415 5.948 -0.783 368 3HD2 LEU 45 3HD2 LEU 45 0.948 4.846 -0.975 369 H LYS 46 H LYS 46 -1.807 6.597 -7.185 370 HA LYS 46 HA LYS 46 0.457 8.242 -7.649 371 1HB LYS 46 2HB LYS 46 0.930 5.544 -7.958 372 2HB LYS 46 1HB LYS 46 0.674 6.121 -9.600 373 1HG LYS 46 2HG LYS 46 2.602 7.393 -7.679 374 2HG LYS 46 1HG LYS 46 3.052 6.123 -8.817 375 1HD LYS 46 2HD LYS 46 2.440 7.522 -10.684 376 2HD LYS 46 1HD LYS 46 1.817 8.763 -9.595 377 1HE LYS 46 2HE LYS 46 4.687 7.844 -9.665 378 2HE LYS 46 1HE LYS 46 4.078 9.257 -10.524 379 1HZ LYS 46 1HZ LYS 46 3.405 10.203 -8.396 380 2HZ LYS 46 2HZ LYS 46 5.071 9.889 -8.429 381 3HZ LYS 46 3HZ LYS 46 4.029 8.858 -7.577 382 H GLU 47 H GLU 47 -0.015 9.761 -9.098 383 HA GLU 47 HA GLU 47 -2.405 9.770 -10.582 384 1HB GLU 47 2HB GLU 47 0.148 11.316 -11.086 385 2HB GLU 47 1HB GLU 47 -1.428 11.697 -11.766 386 1HG GLU 47 2HG GLU 47 -0.826 11.670 -8.816 387 2HG GLU 47 1HG GLU 47 -0.759 13.109 -9.831 388 H ASN 48 H ASN 48 0.842 8.681 -11.338 389 HA ASN 48 HA ASN 48 0.003 7.836 -14.015 390 1HB ASN 48 2HB ASN 48 2.712 7.760 -12.668 391 2HB ASN 48 1HB ASN 48 2.394 7.161 -14.291 392 1HD2 ASN 48 1HD2 ASN 48 4.209 9.242 -13.490 393 2HD2 ASN 48 2HD2 ASN 48 3.709 10.678 -14.316 394 H LYS 49 H LYS 49 -0.205 6.712 -10.993 395 HA LYS 49 HA LYS 49 -0.802 4.749 -10.079 396 1HB LYS 49 2HB LYS 49 -2.133 4.458 -12.058 397 2HB LYS 49 1HB LYS 49 -0.769 3.757 -12.917 398 1HG LYS 49 2HG LYS 49 -1.681 2.479 -10.393 399 2HG LYS 49 1HG LYS 49 -2.648 2.259 -11.852 400 1HD LYS 49 2HD LYS 49 -0.551 1.490 -13.008 401 2HD LYS 49 1HD LYS 49 0.244 1.513 -11.432 402 1HE LYS 49 2HE LYS 49 -2.196 -0.109 -12.147 403 2HE LYS 49 1HE LYS 49 -0.552 -0.731 -12.042 404 1HZ LYS 49 1HZ LYS 49 -1.979 0.535 -9.771 405 2HZ LYS 49 2HZ LYS 49 -0.502 -0.297 -9.721 406 3HZ LYS 49 3HZ LYS 49 -1.938 -1.137 -10.044 407 H GLY 50 H GLY 50 0.238 3.275 -8.938 408 1HA GLY 50 2HA GLY 50 2.456 1.746 -9.908 409 2HA GLY 50 1HA GLY 50 2.972 3.068 -8.863 410 H GLN 51 H GLN 51 3.482 0.505 -7.997 411 HA GLN 51 HA GLN 51 1.197 -0.387 -6.444 412 1HB GLN 51 2HB GLN 51 2.616 -2.296 -5.795 413 2HB GLN 51 1HB GLN 51 2.417 -2.140 -7.535 414 1HG GLN 51 2HG GLN 51 4.633 -1.233 -7.754 415 2HG GLN 51 1HG GLN 51 4.824 -1.178 -6.002 416 1HE2 GLN 51 1HE2 GLN 51 5.135 -3.105 -4.870 417 2HE2 GLN 51 2HE2 GLN 51 5.621 -4.565 -5.657 418 H ARG 52 H ARG 52 0.946 -0.405 -4.358 419 HA ARG 52 HA ARG 52 3.153 0.450 -2.640 420 1HB ARG 52 2HB ARG 52 0.320 1.460 -2.271 421 2HB ARG 52 1HB ARG 52 1.762 1.954 -1.404 422 1HG ARG 52 2HG ARG 52 1.289 2.468 -4.323 423 2HG ARG 52 1HG ARG 52 0.930 3.605 -3.024 424 1HD ARG 52 2HD ARG 52 3.327 3.512 -2.362 425 2HD ARG 52 1HD ARG 52 3.637 2.499 -3.770 426 HE ARG 52 HE ARG 52 2.638 5.273 -3.949 427 1HH1 ARG 52 1HH1 ARG 52 4.552 2.619 -5.188 428 2HH1 ARG 52 2HH1 ARG 52 5.328 3.574 -6.414 429 1HH2 ARG 52 1HH2 ARG 52 3.633 6.542 -5.583 430 2HH2 ARG 52 2HH2 ARG 52 4.817 5.810 -6.624 431 H CYS 53 H CYS 53 3.290 -0.754 -0.789 432 HA CYS 53 HA CYS 53 0.914 -2.302 -0.042 433 1HB CYS 53 2HB CYS 53 2.786 -3.704 -1.060 434 2HB CYS 53 1HB CYS 53 3.753 -3.278 0.349 435 H LEU 54 H LEU 54 0.204 -1.445 1.854 436 HA LEU 54 HA LEU 54 2.137 0.055 3.463 437 1HB LEU 54 2HB LEU 54 -0.360 0.708 2.510 438 2HB LEU 54 1HB LEU 54 -0.684 0.302 4.183 439 HG LEU 54 HG LEU 54 -0.312 2.702 3.908 440 1HD1 LEU 54 1HD1 LEU 54 1.413 3.018 5.614 441 2HD1 LEU 54 2HD1 LEU 54 1.933 1.347 5.394 442 3HD1 LEU 54 3HD1 LEU 54 0.324 1.693 6.027 443 1HD2 LEU 54 1HD2 LEU 54 1.157 2.624 1.963 444 2HD2 LEU 54 2HD2 LEU 54 2.439 1.924 2.951 445 3HD2 LEU 54 3HD2 LEU 54 1.879 3.567 3.265 446 H ASN 55 H ASN 55 2.277 -2.704 3.807 447 HA ASN 55 HA ASN 55 1.740 -2.716 6.685 448 1HB ASN 55 2HB ASN 55 0.964 -4.919 4.786 449 2HB ASN 55 1HB ASN 55 1.296 -5.248 6.481 450 1HD2 ASN 55 1HD2 ASN 55 -0.916 -3.929 4.212 451 2HD2 ASN 55 2HD2 ASN 55 -2.192 -3.604 5.326 452 HA PRO 56 HA PRO 56 6.044 -4.192 5.528 453 1HB PRO 56 2HB PRO 56 7.125 -1.816 6.785 454 2HB PRO 56 1HB PRO 56 7.310 -2.356 5.115 455 1HG PRO 56 2HG PRO 56 5.891 -0.135 5.834 456 2HG PRO 56 1HG PRO 56 5.556 -1.086 4.375 457 1HD PRO 56 2HD PRO 56 4.159 -1.118 7.025 458 2HD PRO 56 1HD PRO 56 3.474 -1.199 5.387 459 H LYS 57 H LYS 57 4.440 -2.853 8.222 460 HA LYS 57 HA LYS 57 5.242 -4.855 10.029 461 1HB LYS 57 2HB LYS 57 7.341 -3.530 10.091 462 2HB LYS 57 1HB LYS 57 6.414 -2.105 10.539 463 1HG LYS 57 2HG LYS 57 5.652 -3.408 12.574 464 2HG LYS 57 1HG LYS 57 6.892 -4.591 12.155 465 1HD LYS 57 2HD LYS 57 7.357 -1.660 12.701 466 2HD LYS 57 1HD LYS 57 7.701 -2.984 13.815 467 1HE LYS 57 2HE LYS 57 9.367 -3.874 12.332 468 2HE LYS 57 1HE LYS 57 8.940 -2.705 11.083 469 1HZ LYS 57 1HZ LYS 57 9.992 -1.954 13.752 470 2HZ LYS 57 2HZ LYS 57 9.775 -0.939 12.412 471 3HZ LYS 57 3HZ LYS 57 10.966 -2.146 12.378 472 H SER 58 H SER 58 4.396 -1.418 9.935 473 HA SER 58 HA SER 58 2.365 -1.722 11.953 474 1HB SER 58 2HB SER 58 2.776 0.670 10.158 475 2HB SER 58 1HB SER 58 2.085 0.631 11.780 476 HG SER 58 HG SER 58 4.015 0.780 12.591 477 H LYS 59 H LYS 59 0.285 -2.107 11.632 478 HA LYS 59 HA LYS 59 -0.692 -2.597 8.951 479 1HB LYS 59 2HB LYS 59 -2.099 -2.778 11.629 480 2HB LYS 59 1HB LYS 59 -2.697 -3.418 10.101 481 1HG LYS 59 2HG LYS 59 -1.081 -5.095 10.030 482 2HG LYS 59 1HG LYS 59 -0.060 -4.290 11.219 483 1HD LYS 59 2HD LYS 59 -1.777 -4.729 12.941 484 2HD LYS 59 1HD LYS 59 -2.728 -5.598 11.734 485 1HE LYS 59 2HE LYS 59 -1.038 -7.261 11.487 486 2HE LYS 59 1HE LYS 59 0.104 -6.329 12.452 487 1HZ LYS 59 1HZ LYS 59 -0.892 -8.186 13.675 488 2HZ LYS 59 2HZ LYS 59 -2.429 -7.495 13.484 489 3HZ LYS 59 3HZ LYS 59 -1.244 -6.693 14.394 490 H GLN 60 H GLN 60 -0.084 -0.090 8.842 491 HA GLN 60 HA GLN 60 -2.058 1.689 9.985 492 1HB GLN 60 2HB GLN 60 0.517 2.061 9.562 493 2HB GLN 60 1HB GLN 60 -0.019 2.550 7.963 494 1HG GLN 60 2HG GLN 60 0.064 4.553 9.080 495 2HG GLN 60 1HG GLN 60 -1.633 4.109 9.264 496 1HE2 GLN 60 1HE2 GLN 60 -2.374 3.412 11.288 497 2HE2 GLN 60 2HE2 GLN 60 -1.475 3.683 12.741 498 H ALA 61 H ALA 61 -1.753 -0.097 7.127 499 HA ALA 61 HA ALA 61 -3.014 1.590 5.256 500 1HB ALA 61 1HB ALA 61 -3.064 -1.425 5.412 501 2HB ALA 61 2HB ALA 61 -1.833 -0.447 4.609 502 3HB ALA 61 3HB ALA 61 -3.489 -0.452 4.001 503 H ARG 62 H ARG 62 -4.158 -0.031 8.002 504 HA ARG 62 HA ARG 62 -6.852 -0.426 7.410 505 1HB ARG 62 2HB ARG 62 -5.907 -1.349 9.405 506 2HB ARG 62 1HB ARG 62 -5.410 0.238 9.978 507 1HG ARG 62 2HG ARG 62 -7.356 -0.676 11.184 508 2HG ARG 62 1HG ARG 62 -7.697 0.862 10.391 509 1HD ARG 62 2HD ARG 62 -9.539 -0.736 10.138 510 2HD ARG 62 1HD ARG 62 -8.836 -0.291 8.586 511 HE ARG 62 HE ARG 62 -7.975 -2.450 8.375 512 1HH1 ARG 62 1HH1 ARG 62 -9.635 -2.035 11.415 513 2HH1 ARG 62 2HH1 ARG 62 -9.851 -3.735 11.685 514 1HH2 ARG 62 1HH2 ARG 62 -8.285 -4.697 8.698 515 2HH2 ARG 62 2HH2 ARG 62 -9.087 -5.252 10.138 516 H LEU 63 H LEU 63 -5.058 2.462 8.280 517 HA LEU 63 HA LEU 63 -7.419 4.059 8.671 518 1HB LEU 63 2HB LEU 63 -4.487 4.705 8.532 519 2HB LEU 63 1HB LEU 63 -5.700 5.967 8.611 520 HG LEU 63 HG LEU 63 -6.499 4.932 10.772 521 1HD1 LEU 63 1HD1 LEU 63 -5.543 2.709 10.483 522 2HD1 LEU 63 2HD1 LEU 63 -4.958 3.467 11.965 523 3HD1 LEU 63 3HD1 LEU 63 -3.918 3.393 10.542 524 1HD2 LEU 63 1HD2 LEU 63 -3.670 5.959 10.634 525 2HD2 LEU 63 2HD2 LEU 63 -4.660 5.888 12.093 526 3HD2 LEU 63 3HD2 LEU 63 -5.136 6.930 10.753 527 H ILE 64 H ILE 64 -5.619 3.009 6.016 528 HA ILE 64 HA ILE 64 -6.642 5.134 4.331 529 HB ILE 64 HB ILE 64 -4.869 2.760 3.702 530 1HG1 ILE 64 2HG1 ILE 64 -3.785 4.561 4.948 531 2HG1 ILE 64 1HG1 ILE 64 -3.164 4.493 3.301 532 1HG2 ILE 64 1HG2 ILE 64 -5.755 4.936 1.809 533 2HG2 ILE 64 2HG2 ILE 64 -6.287 3.256 1.762 534 3HG2 ILE 64 3HG2 ILE 64 -4.596 3.652 1.457 535 1HD1 ILE 64 1HD1 ILE 64 -4.686 6.358 2.706 536 2HD1 ILE 64 2HD1 ILE 64 -3.486 6.781 3.927 537 3HD1 ILE 64 3HD1 ILE 64 -5.154 6.465 4.404 538 H ILE 65 H ILE 65 -7.598 2.136 5.504 539 HA ILE 65 HA ILE 65 -9.104 1.145 3.344 540 HB ILE 65 HB ILE 65 -9.488 0.777 6.314 541 1HG1 ILE 65 2HG1 ILE 65 -7.431 -0.211 5.441 542 2HG1 ILE 65 1HG1 ILE 65 -8.577 -1.476 5.871 543 1HG2 ILE 65 1HG2 ILE 65 -11.615 0.518 5.168 544 2HG2 ILE 65 2HG2 ILE 65 -11.027 -1.042 5.755 545 3HG2 ILE 65 3HG2 ILE 65 -10.884 -0.629 4.045 546 1HD1 ILE 65 1HD1 ILE 65 -9.157 -1.766 3.531 547 2HD1 ILE 65 2HD1 ILE 65 -7.421 -1.963 3.782 548 3HD1 ILE 65 3HD1 ILE 65 -8.049 -0.470 3.083 549 H LYS 66 H LYS 66 -9.890 3.314 6.020 550 HA LYS 66 HA LYS 66 -12.583 3.713 5.203 551 1HB LYS 66 2HB LYS 66 -12.573 5.607 6.786 552 2HB LYS 66 1HB LYS 66 -11.940 4.136 7.509 553 1HG LYS 66 2HG LYS 66 -9.709 4.931 7.392 554 2HG LYS 66 1HG LYS 66 -10.180 6.289 6.366 555 1HD LYS 66 2HD LYS 66 -11.504 7.210 8.219 556 2HD LYS 66 1HD LYS 66 -11.002 5.860 9.237 557 1HE LYS 66 2HE LYS 66 -8.737 6.565 9.206 558 2HE LYS 66 1HE LYS 66 -9.051 7.743 7.931 559 1HZ LYS 66 1HZ LYS 66 -10.164 7.862 10.685 560 2HZ LYS 66 2HZ LYS 66 -10.408 9.006 9.455 561 3HZ LYS 66 3HZ LYS 66 -8.860 8.789 10.113 562 H LYS 67 H LYS 67 -9.734 4.606 3.831 563 HA LYS 67 HA LYS 67 -10.726 7.112 2.729 564 1HB LYS 67 2HB LYS 67 -8.057 5.722 2.523 565 2HB LYS 67 1HB LYS 67 -8.465 7.127 1.547 566 1HG LYS 67 2HG LYS 67 -8.551 7.123 4.551 567 2HG LYS 67 1HG LYS 67 -7.130 7.597 3.616 568 1HD LYS 67 2HD LYS 67 -8.404 9.365 2.541 569 2HD LYS 67 1HD LYS 67 -9.862 8.864 3.400 570 1HE LYS 67 2HE LYS 67 -8.861 9.441 5.516 571 2HE LYS 67 1HE LYS 67 -7.330 9.815 4.729 572 1HZ LYS 67 1HZ LYS 67 -8.744 11.778 5.300 573 2HZ LYS 67 2HZ LYS 67 -9.855 11.258 4.127 574 3HZ LYS 67 3HZ LYS 67 -8.276 11.687 3.672 575 H VAL 68 H VAL 68 -9.646 3.921 1.759 576 HA VAL 68 HA VAL 68 -10.441 4.065 -0.947 577 HB VAL 68 HB VAL 68 -10.349 1.579 0.783 578 1HG1 VAL 68 1HG1 VAL 68 -9.822 0.440 -1.325 579 2HG1 VAL 68 2HG1 VAL 68 -10.015 1.968 -2.187 580 3HG1 VAL 68 3HG1 VAL 68 -11.399 1.233 -1.376 581 1HG2 VAL 68 1HG2 VAL 68 -8.108 2.872 -0.753 582 2HG2 VAL 68 2HG2 VAL 68 -8.029 1.346 0.129 583 3HG2 VAL 68 3HG2 VAL 68 -8.278 2.858 1.002 584 H GLU 69 H GLU 69 -12.102 3.680 2.031 585 HA GLU 69 HA GLU 69 -14.426 2.333 1.399 586 1HB GLU 69 2HB GLU 69 -13.689 3.212 3.640 587 2HB GLU 69 1HB GLU 69 -14.251 4.798 3.135 588 1HG GLU 69 2HG GLU 69 -16.514 3.871 2.859 589 2HG GLU 69 1HG GLU 69 -15.917 2.325 3.460 590 H ARG 70 H ARG 70 -13.484 5.593 0.594 591 HA ARG 70 HA ARG 70 -15.934 6.679 -0.190 592 1HB ARG 70 2HB ARG 70 -14.005 8.078 0.104 593 2HB ARG 70 1HB ARG 70 -13.106 7.193 -1.117 594 1HG ARG 70 2HG ARG 70 -14.607 8.036 -2.846 595 2HG ARG 70 1HG ARG 70 -15.524 8.917 -1.619 596 1HD ARG 70 2HD ARG 70 -13.636 10.299 -1.110 597 2HD ARG 70 1HD ARG 70 -12.583 9.320 -2.130 598 HE ARG 70 HE ARG 70 -14.281 10.133 -3.955 599 1HH1 ARG 70 1HH1 ARG 70 -13.027 11.990 -1.259 600 2HH1 ARG 70 2HH1 ARG 70 -13.005 13.490 -2.144 601 1HH2 ARG 70 1HH2 ARG 70 -14.282 12.087 -5.099 602 2HH2 ARG 70 2HH2 ARG 70 -13.758 13.552 -4.322 603 H LYS 71 H LYS 71 -13.786 4.454 -1.813 604 HA LYS 71 HA LYS 71 -15.721 4.227 -3.988 605 1HB LYS 71 2HB LYS 71 -14.041 5.699 -4.900 606 2HB LYS 71 1HB LYS 71 -12.752 4.632 -4.368 607 1HG LYS 71 2HG LYS 71 -13.106 4.440 -6.756 608 2HG LYS 71 1HG LYS 71 -13.503 2.926 -5.945 609 1HD LYS 71 2HD LYS 71 -15.165 3.395 -7.628 610 2HD LYS 71 1HD LYS 71 -15.896 3.555 -6.031 611 1HE LYS 71 2HE LYS 71 -15.668 5.976 -6.155 612 2HE LYS 71 1HE LYS 71 -14.880 5.833 -7.726 613 1HZ LYS 71 1HZ LYS 71 -17.662 4.972 -7.128 614 2HZ LYS 71 2HZ LYS 71 -16.902 4.916 -8.644 615 3HZ LYS 71 3HZ LYS 71 -17.235 6.411 -7.915 616 H ASN 72 H ASN 72 -16.300 2.342 -2.794 617 HA ASN 72 HA ASN 72 -14.438 0.102 -3.090 618 1HB ASN 72 2HB ASN 72 -16.174 -1.221 -1.891 619 2HB ASN 72 1HB ASN 72 -15.605 0.161 -0.963 620 1HD2 ASN 72 1HD2 ASN 72 -16.989 1.875 -0.566 621 2HD2 ASN 72 2HD2 ASN 72 -18.700 1.765 -0.834 622 H PHE 73 H PHE 73 -17.031 1.674 -4.557 623 HA PHE 73 HA PHE 73 -16.689 0.401 -7.000 624 1HB PHE 73 2HB PHE 73 -17.946 -1.462 -5.821 625 2HB PHE 73 1HB PHE 73 -19.328 -0.371 -5.729 626 HD1 PHE 73 1HD PHE 73 -17.017 -2.033 -8.096 627 HD2 PHE 73 2HD PHE 73 -20.784 -0.131 -7.548 628 HE1 PHE 73 1HE PHE 73 -17.675 -2.693 -10.370 629 HE2 PHE 73 2HE PHE 73 -21.450 -0.791 -9.821 630 HZ PHE 73 HZ PHE 73 -19.897 -2.071 -11.235 Start of MODEL 5 1 1H PHE 1 1HT PHE 1 -10.373 -4.323 -20.936 2 2H PHE 1 2HT PHE 1 -11.025 -3.766 -19.476 3 3H PHE 1 3HT PHE 1 -12.015 -4.581 -20.584 4 HA PHE 1 HA PHE 1 -11.504 -6.073 -18.838 5 1HB PHE 1 2HB PHE 1 -9.828 -6.660 -21.291 6 2HB PHE 1 1HB PHE 1 -10.278 -7.848 -20.073 7 HD1 PHE 1 1HD PHE 1 -12.661 -8.495 -19.803 8 HD2 PHE 1 2HD PHE 1 -11.345 -6.000 -22.994 9 HE1 PHE 1 1HE PHE 1 -14.755 -8.944 -21.015 10 HE2 PHE 1 2HE PHE 1 -13.438 -6.444 -24.206 11 HZ PHE 1 HZ PHE 1 -15.146 -7.919 -23.218 12 HA PRO 2 HA PRO 2 -8.066 -4.841 -16.427 13 1HB PRO 2 2HB PRO 2 -8.378 -7.447 -15.075 14 2HB PRO 2 1HB PRO 2 -8.489 -5.815 -14.411 15 1HG PRO 2 2HG PRO 2 -10.668 -7.328 -14.750 16 2HG PRO 2 1HG PRO 2 -10.709 -5.575 -15.027 17 1HD PRO 2 2HD PRO 2 -10.561 -7.809 -17.014 18 2HD PRO 2 1HD PRO 2 -11.498 -6.301 -17.079 19 H MET 3 H MET 3 -6.179 -4.884 -17.469 20 HA MET 3 HA MET 3 -4.886 -7.446 -18.025 21 1HB MET 3 2HB MET 3 -3.254 -6.170 -19.298 22 2HB MET 3 1HB MET 3 -4.879 -5.760 -19.822 23 1HG MET 3 2HG MET 3 -3.233 -4.102 -17.920 24 2HG MET 3 1HG MET 3 -3.345 -3.822 -19.656 25 1HE MET 3 1HE MET 3 -4.074 -1.300 -19.170 26 2HE MET 3 2HE MET 3 -3.966 -1.609 -17.437 27 3HE MET 3 3HE MET 3 -5.415 -0.861 -18.110 28 H PHE 4 H PHE 4 -2.934 -8.032 -17.109 29 HA PHE 4 HA PHE 4 -1.792 -6.282 -15.067 30 1HB PHE 4 2HB PHE 4 -1.771 -8.165 -13.408 31 2HB PHE 4 1HB PHE 4 -3.370 -7.527 -13.761 32 HD1 PHE 4 1HD PHE 4 -1.227 -10.423 -13.825 33 HD2 PHE 4 2HD PHE 4 -4.915 -8.826 -15.225 34 HE1 PHE 4 1HE PHE 4 -2.008 -12.695 -14.349 35 HE2 PHE 4 2HE PHE 4 -5.701 -11.097 -15.751 36 HZ PHE 4 HZ PHE 4 -4.247 -13.036 -15.314 37 H LYS 5 H LYS 5 -1.581 -9.086 -17.115 38 HA LYS 5 HA LYS 5 0.121 -10.336 -17.915 39 1HB LYS 5 2HB LYS 5 0.753 -8.078 -18.793 40 2HB LYS 5 1HB LYS 5 1.815 -7.886 -17.406 41 1HG LYS 5 2HG LYS 5 3.129 -9.805 -18.127 42 2HG LYS 5 1HG LYS 5 2.044 -10.041 -19.499 43 1HD LYS 5 2HD LYS 5 3.694 -7.564 -18.997 44 2HD LYS 5 1HD LYS 5 4.130 -8.863 -20.111 45 1HE LYS 5 2HE LYS 5 1.612 -7.210 -20.291 46 2HE LYS 5 1HE LYS 5 3.079 -6.907 -21.220 47 1HZ LYS 5 1HZ LYS 5 1.414 -9.368 -21.342 48 2HZ LYS 5 2HZ LYS 5 2.843 -9.110 -22.218 49 3HZ LYS 5 3HZ LYS 5 1.480 -8.149 -22.517 50 H ARG 6 H ARG 6 -0.168 -11.582 -15.947 51 HA ARG 6 HA ARG 6 0.590 -12.805 -14.204 52 1HB ARG 6 2HB ARG 6 3.283 -11.816 -15.155 53 2HB ARG 6 1HB ARG 6 3.037 -13.130 -14.009 54 1HG ARG 6 2HG ARG 6 1.859 -14.411 -15.709 55 2HG ARG 6 1HG ARG 6 2.059 -13.086 -16.856 56 1HD ARG 6 2HD ARG 6 4.515 -13.335 -16.648 57 2HD ARG 6 1HD ARG 6 4.253 -14.727 -15.596 58 HE ARG 6 HE ARG 6 2.841 -15.314 -17.863 59 1HH1 ARG 6 1HH1 ARG 6 6.171 -14.487 -17.162 60 2HH1 ARG 6 2HH1 ARG 6 6.817 -15.350 -18.524 61 1HH2 ARG 6 1HH2 ARG 6 3.668 -16.453 -19.669 62 2HH2 ARG 6 2HH2 ARG 6 5.389 -16.481 -19.955 63 H GLY 7 H GLY 7 2.561 -12.503 -12.339 64 1HA GLY 7 2HA GLY 7 3.064 -10.052 -11.206 65 2HA GLY 7 1HA GLY 7 1.447 -10.483 -10.656 66 H ARG 8 H ARG 8 3.213 -10.214 -8.696 67 HA ARG 8 HA ARG 8 3.412 -12.873 -7.648 68 1HB ARG 8 2HB ARG 8 5.505 -12.511 -9.100 69 2HB ARG 8 1HB ARG 8 6.015 -11.365 -7.868 70 1HG ARG 8 2HG ARG 8 6.981 -13.652 -7.641 71 2HG ARG 8 1HG ARG 8 6.121 -13.074 -6.214 72 1HD ARG 8 2HD ARG 8 5.658 -15.465 -6.865 73 2HD ARG 8 1HD ARG 8 4.237 -14.434 -6.681 74 HE ARG 8 HE ARG 8 4.801 -14.256 -9.332 75 1HH1 ARG 8 1HH1 ARG 8 4.371 -16.985 -7.180 76 2HH1 ARG 8 2HH1 ARG 8 3.659 -17.993 -8.409 77 1HH2 ARG 8 1HH2 ARG 8 3.871 -15.553 -10.921 78 2HH2 ARG 8 2HH2 ARG 8 3.341 -17.163 -10.535 79 H CYS 9 H CYS 9 4.173 -12.866 -5.406 80 HA CYS 9 HA CYS 9 3.117 -10.528 -4.049 81 1HB CYS 9 2HB CYS 9 3.315 -12.082 -2.028 82 2HB CYS 9 1HB CYS 9 2.202 -12.583 -3.298 83 H LEU 10 H LEU 10 4.260 -10.364 -1.723 84 HA LEU 10 HA LEU 10 6.042 -9.762 -0.468 85 1HB LEU 10 2HB LEU 10 7.270 -11.723 -1.201 86 2HB LEU 10 1HB LEU 10 7.734 -10.912 -2.684 87 HG LEU 10 HG LEU 10 9.004 -9.248 -1.322 88 1HD1 LEU 10 1HD1 LEU 10 8.394 -11.145 0.944 89 2HD1 LEU 10 2HD1 LEU 10 7.755 -9.511 0.766 90 3HD1 LEU 10 3HD1 LEU 10 9.485 -9.761 1.010 91 1HD2 LEU 10 1HD2 LEU 10 10.136 -11.135 -2.361 92 2HD2 LEU 10 2HD2 LEU 10 9.769 -12.147 -0.962 93 3HD2 LEU 10 3HD2 LEU 10 10.857 -10.768 -0.794 94 H CYS 11 H CYS 11 5.431 -7.674 -0.646 95 HA CYS 11 HA CYS 11 7.257 -6.026 -2.211 96 1HB CYS 11 2HB CYS 11 5.357 -6.187 -3.671 97 2HB CYS 11 1HB CYS 11 4.243 -5.874 -2.347 98 H ILE 12 H ILE 12 7.938 -4.285 -1.086 99 HA ILE 12 HA ILE 12 6.305 -3.017 0.922 100 HB ILE 12 HB ILE 12 7.177 -4.882 2.244 101 1HG1 ILE 12 2HG1 ILE 12 8.362 -3.575 4.024 102 2HG1 ILE 12 1HG1 ILE 12 8.454 -2.223 2.902 103 1HG2 ILE 12 1HG2 ILE 12 9.569 -5.158 2.659 104 2HG2 ILE 12 2HG2 ILE 12 9.919 -3.875 1.501 105 3HG2 ILE 12 3HG2 ILE 12 9.177 -5.378 0.954 106 1HD1 ILE 12 1HD1 ILE 12 6.019 -2.124 2.823 107 2HD1 ILE 12 2HD1 ILE 12 6.628 -1.947 4.469 108 3HD1 ILE 12 3HD1 ILE 12 5.928 -3.480 3.947 109 H GLY 13 H GLY 13 6.926 -1.003 1.384 110 1HA GLY 13 2HA GLY 13 7.840 1.045 0.973 111 2HA GLY 13 1HA GLY 13 9.359 0.221 1.038 112 HA PRO 14 HA PRO 14 8.257 0.523 -3.580 113 1HB PRO 14 2HB PRO 14 5.746 0.929 -4.298 114 2HB PRO 14 1HB PRO 14 6.190 -0.617 -3.554 115 1HG PRO 14 2HG PRO 14 4.876 1.773 -2.308 116 2HG PRO 14 1HG PRO 14 4.487 0.061 -2.104 117 1HD PRO 14 2HD PRO 14 6.075 1.563 -0.372 118 2HD PRO 14 1HD PRO 14 6.049 -0.203 -0.461 119 H GLY 15 H GLY 15 8.148 2.810 -1.452 120 1HA GLY 15 2HA GLY 15 8.595 5.094 -1.721 121 2HA GLY 15 1HA GLY 15 7.953 5.005 -3.354 122 H VAL 16 H VAL 16 7.082 7.118 -2.184 123 HA VAL 16 HA VAL 16 4.330 6.639 -1.435 124 HB VAL 16 HB VAL 16 4.416 7.987 0.612 125 1HG1 VAL 16 1HG1 VAL 16 4.587 5.554 0.820 126 2HG1 VAL 16 2HG1 VAL 16 5.461 6.384 2.109 127 3HG1 VAL 16 3HG1 VAL 16 6.346 5.675 0.757 128 1HG2 VAL 16 1HG2 VAL 16 6.546 8.569 1.670 129 2HG2 VAL 16 2HG2 VAL 16 6.364 9.355 0.101 130 3HG2 VAL 16 3HG2 VAL 16 7.414 7.947 0.266 131 H LYS 17 H LYS 17 3.249 8.888 -1.127 132 HA LYS 17 HA LYS 17 4.521 11.202 -2.106 133 1HB LYS 17 2HB LYS 17 4.462 9.827 -4.209 134 2HB LYS 17 1HB LYS 17 2.708 9.892 -4.131 135 1HG LYS 17 2HG LYS 17 3.609 11.545 -5.678 136 2HG LYS 17 1HG LYS 17 2.767 12.307 -4.327 137 1HD LYS 17 2HD LYS 17 4.894 12.748 -3.228 138 2HD LYS 17 1HD LYS 17 5.756 11.941 -4.541 139 1HE LYS 17 2HE LYS 17 4.050 14.418 -4.819 140 2HE LYS 17 1HE LYS 17 5.811 14.391 -4.756 141 1HZ LYS 17 1HZ LYS 17 5.828 13.058 -6.772 142 2HZ LYS 17 2HZ LYS 17 5.022 14.530 -7.029 143 3HZ LYS 17 3HZ LYS 17 4.132 13.100 -6.841 144 H ALA 18 H ALA 18 1.526 9.413 -1.678 145 HA ALA 18 HA ALA 18 -0.490 9.990 -0.822 146 1HB ALA 18 1HB ALA 18 0.679 12.724 -0.307 147 2HB ALA 18 2HB ALA 18 0.690 11.372 0.825 148 3HB ALA 18 3HB ALA 18 -0.840 12.097 0.334 149 H VAL 19 H VAL 19 -1.987 9.959 -2.296 150 HA VAL 19 HA VAL 19 -2.185 12.190 -4.203 151 HB VAL 19 HB VAL 19 -2.848 10.524 -5.970 152 1HG1 VAL 19 1HG1 VAL 19 -0.663 11.607 -5.968 153 2HG1 VAL 19 2HG1 VAL 19 -0.551 9.946 -6.551 154 3HG1 VAL 19 3HG1 VAL 19 -0.033 10.341 -4.911 155 1HG2 VAL 19 1HG2 VAL 19 -3.318 8.630 -4.519 156 2HG2 VAL 19 2HG2 VAL 19 -1.626 8.581 -4.021 157 3HG2 VAL 19 3HG2 VAL 19 -2.063 8.223 -5.691 158 H LYS 20 H LYS 20 -4.373 10.744 -5.582 159 HA LYS 20 HA LYS 20 -6.450 12.054 -4.132 160 1HB LYS 20 2HB LYS 20 -6.699 10.194 -6.496 161 2HB LYS 20 1HB LYS 20 -7.838 11.441 -6.001 162 1HG LYS 20 2HG LYS 20 -6.309 13.173 -6.638 163 2HG LYS 20 1HG LYS 20 -5.040 11.983 -6.940 164 1HD LYS 20 2HD LYS 20 -6.043 12.738 -9.027 165 2HD LYS 20 1HD LYS 20 -6.341 11.023 -8.756 166 1HE LYS 20 2HE LYS 20 -8.587 11.622 -7.867 167 2HE LYS 20 1HE LYS 20 -8.275 13.295 -8.327 168 1HZ LYS 20 1HZ LYS 20 -8.336 10.973 -10.178 169 2HZ LYS 20 2HZ LYS 20 -8.033 12.581 -10.625 170 3HZ LYS 20 3HZ LYS 20 -9.555 12.144 -10.015 171 H VAL 21 H VAL 21 -6.698 10.928 -2.154 172 HA VAL 21 HA VAL 21 -6.977 8.133 -1.913 173 HB VAL 21 HB VAL 21 -8.038 8.689 0.340 174 1HG1 VAL 21 1HG1 VAL 21 -5.321 9.823 -0.310 175 2HG1 VAL 21 2HG1 VAL 21 -5.682 8.135 0.052 176 3HG1 VAL 21 3HG1 VAL 21 -5.898 9.368 1.294 177 1HG2 VAL 21 1HG2 VAL 21 -7.738 10.991 1.133 178 2HG2 VAL 21 2HG2 VAL 21 -8.884 10.911 -0.205 179 3HG2 VAL 21 3HG2 VAL 21 -7.240 11.482 -0.486 180 H ALA 22 H ALA 22 -8.334 7.811 -3.672 181 HA ALA 22 HA ALA 22 -10.840 6.860 -3.159 182 1HB ALA 22 1HB ALA 22 -11.010 9.602 -4.431 183 2HB ALA 22 2HB ALA 22 -11.595 9.183 -2.821 184 3HB ALA 22 3HB ALA 22 -12.349 8.469 -4.247 185 H ASP 23 H ASP 23 -8.831 8.592 -5.407 186 HA ASP 23 HA ASP 23 -9.672 6.986 -7.684 187 1HB ASP 23 2HB ASP 23 -9.069 9.514 -7.713 188 2HB ASP 23 1HB ASP 23 -7.400 8.977 -7.635 189 H ILE 24 H ILE 24 -6.686 7.758 -5.951 190 HA ILE 24 HA ILE 24 -5.703 5.044 -6.314 191 HB ILE 24 HB ILE 24 -3.366 6.102 -6.730 192 1HG1 ILE 24 2HG1 ILE 24 -4.492 8.469 -6.557 193 2HG1 ILE 24 1HG1 ILE 24 -3.187 8.186 -7.700 194 1HG2 ILE 24 1HG2 ILE 24 -4.495 4.573 -8.219 195 2HG2 ILE 24 2HG2 ILE 24 -3.663 5.833 -9.135 196 3HG2 ILE 24 3HG2 ILE 24 -5.415 5.900 -8.932 197 1HD1 ILE 24 1HD1 ILE 24 -6.126 8.237 -8.340 198 2HD1 ILE 24 2HD1 ILE 24 -4.826 7.942 -9.495 199 3HD1 ILE 24 3HD1 ILE 24 -4.954 9.508 -8.691 200 H GLU 25 H GLU 25 -3.880 4.621 -4.968 201 HA GLU 25 HA GLU 25 -3.142 4.403 -2.866 202 1HB GLU 25 2HB GLU 25 -2.174 6.608 -3.342 203 2HB GLU 25 1HB GLU 25 -3.636 7.380 -2.737 204 1HG GLU 25 2HG GLU 25 -3.220 6.512 -0.512 205 2HG GLU 25 1HG GLU 25 -1.805 5.636 -1.095 206 H LYS 26 H LYS 26 -5.070 3.246 -2.847 207 HA LYS 26 HA LYS 26 -6.469 3.738 -0.428 208 1HB LYS 26 2HB LYS 26 -8.690 3.205 -1.391 209 2HB LYS 26 1HB LYS 26 -8.062 4.722 -2.005 210 1HG LYS 26 2HG LYS 26 -7.590 3.774 -4.126 211 2HG LYS 26 1HG LYS 26 -7.855 2.133 -3.527 212 1HD LYS 26 2HD LYS 26 -10.223 2.708 -3.097 213 2HD LYS 26 1HD LYS 26 -9.937 4.308 -3.774 214 1HE LYS 26 2HE LYS 26 -9.381 1.819 -5.357 215 2HE LYS 26 1HE LYS 26 -10.998 2.514 -5.278 216 1HZ LYS 26 1HZ LYS 26 -8.554 3.871 -6.275 217 2HZ LYS 26 2HZ LYS 26 -10.071 4.603 -6.122 218 3HZ LYS 26 3HZ LYS 26 -9.855 3.325 -7.211 219 H ALA 27 H ALA 27 -6.300 1.868 0.611 220 HA ALA 27 HA ALA 27 -4.900 -0.238 -0.772 221 1HB ALA 27 1HB ALA 27 -4.419 -1.131 1.380 222 2HB ALA 27 2HB ALA 27 -5.610 -0.080 2.145 223 3HB ALA 27 3HB ALA 27 -4.153 0.611 1.429 224 H SER 28 H SER 28 -6.039 -1.656 -1.816 225 HA SER 28 HA SER 28 -8.543 -2.649 -0.624 226 1HB SER 28 2HB SER 28 -7.604 -2.215 -3.439 227 2HB SER 28 1HB SER 28 -9.018 -3.196 -3.079 228 HG SER 28 HG SER 28 -9.124 -0.839 -1.771 229 H ILE 29 H ILE 29 -6.543 -4.081 0.364 230 HA ILE 29 HA ILE 29 -7.553 -6.568 -0.504 231 HB ILE 29 HB ILE 29 -5.647 -6.251 -2.114 232 1HG1 ILE 29 2HG1 ILE 29 -4.705 -8.546 -1.756 233 2HG1 ILE 29 1HG1 ILE 29 -5.528 -8.592 -0.198 234 1HG2 ILE 29 1HG2 ILE 29 -3.975 -6.568 0.362 235 2HG2 ILE 29 2HG2 ILE 29 -4.105 -5.119 -0.636 236 3HG2 ILE 29 3HG2 ILE 29 -3.377 -6.584 -1.297 237 1HD1 ILE 29 1HD1 ILE 29 -6.850 -8.329 -2.889 238 2HD1 ILE 29 2HD1 ILE 29 -7.678 -8.373 -1.331 239 3HD1 ILE 29 3HD1 ILE 29 -6.785 -9.785 -1.897 240 H MET 30 H MET 30 -7.327 -8.144 1.198 241 HA MET 30 HA MET 30 -5.123 -7.712 3.005 242 1HB MET 30 2HB MET 30 -6.970 -6.519 4.136 243 2HB MET 30 1HB MET 30 -7.910 -8.010 4.149 244 1HG MET 30 2HG MET 30 -6.466 -9.034 5.684 245 2HG MET 30 1HG MET 30 -5.196 -7.843 5.413 246 1HE MET 30 1HE MET 30 -9.050 -7.220 5.967 247 2HE MET 30 2HE MET 30 -9.108 -6.948 7.708 248 3HE MET 30 3HE MET 30 -8.693 -8.543 7.077 249 H TYR 31 H TYR 31 -4.433 -9.409 1.739 250 HA TYR 31 HA TYR 31 -5.132 -12.033 2.741 251 1HB TYR 31 2HB TYR 31 -5.428 -11.302 -0.189 252 2HB TYR 31 1HB TYR 31 -5.252 -12.953 0.376 253 HD1 TYR 31 1HD TYR 31 -7.054 -14.051 1.609 254 HD2 TYR 31 2HD TYR 31 -7.514 -10.101 0.097 255 HE1 TYR 31 1HE TYR 31 -9.486 -14.226 1.913 256 HE2 TYR 31 2HE TYR 31 -9.951 -10.263 0.400 257 HH TYR 31 HH TYR 31 -11.418 -12.816 2.168 258 HA PRO 32 HA PRO 32 -0.748 -12.749 1.956 259 1HB PRO 32 2HB PRO 32 -0.829 -15.201 0.707 260 2HB PRO 32 1HB PRO 32 -0.894 -14.964 2.457 261 1HG PRO 32 2HG PRO 32 -3.129 -15.404 0.519 262 2HG PRO 32 1HG PRO 32 -2.887 -16.108 2.131 263 1HD PRO 32 2HD PRO 32 -4.594 -14.083 1.770 264 2HD PRO 32 1HD PRO 32 -3.562 -14.161 3.212 265 H SER 33 H SER 33 -1.663 -10.985 0.201 266 HA SER 33 HA SER 33 -1.405 -10.032 -1.822 267 1HB SER 33 2HB SER 33 0.908 -10.873 -1.713 268 2HB SER 33 1HB SER 33 0.385 -12.404 -2.410 269 HG SER 33 HG SER 33 0.664 -9.890 -3.609 270 H ASN 34 H ASN 34 -1.400 -13.509 -2.487 271 HA ASN 34 HA ASN 34 -3.939 -13.914 -3.380 272 1HB ASN 34 2HB ASN 34 -3.238 -12.084 -5.093 273 2HB ASN 34 1HB ASN 34 -2.256 -13.344 -5.825 274 1HD2 ASN 34 1HD2 ASN 34 -4.469 -11.903 -6.966 275 2HD2 ASN 34 2HD2 ASN 34 -5.665 -13.073 -7.393 276 H ASN 35 H ASN 35 -0.524 -14.488 -3.705 277 HA ASN 35 HA ASN 35 -0.994 -17.352 -4.023 278 1HB ASN 35 2HB ASN 35 -0.701 -16.230 -6.330 279 2HB ASN 35 1HB ASN 35 0.964 -15.943 -5.846 280 1HD2 ASN 35 1HD2 ASN 35 2.388 -17.674 -5.712 281 2HD2 ASN 35 2HD2 ASN 35 2.015 -19.237 -6.363 282 H CYS 36 H CYS 36 -0.276 -16.110 -1.771 283 HA CYS 36 HA CYS 36 2.519 -16.875 -1.423 284 1HB CYS 36 2HB CYS 36 1.696 -14.190 -1.636 285 2HB CYS 36 1HB CYS 36 2.039 -14.475 0.082 286 H ASP 37 H ASP 37 2.997 -16.324 1.070 287 HA ASP 37 HA ASP 37 0.714 -17.392 2.606 288 1HB ASP 37 2HB ASP 37 2.270 -18.623 4.044 289 2HB ASP 37 1HB ASP 37 2.423 -19.150 2.374 290 H LYS 38 H LYS 38 2.121 -14.753 1.951 291 HA LYS 38 HA LYS 38 2.180 -13.766 4.710 292 1HB LYS 38 2HB LYS 38 3.895 -12.206 4.129 293 2HB LYS 38 1HB LYS 38 4.424 -13.781 3.566 294 1HG LYS 38 2HG LYS 38 3.869 -13.242 1.314 295 2HG LYS 38 1HG LYS 38 3.100 -11.738 1.825 296 1HD LYS 38 2HD LYS 38 6.035 -12.421 2.027 297 2HD LYS 38 1HD LYS 38 5.303 -11.298 0.882 298 1HE LYS 38 2HE LYS 38 5.332 -11.001 3.883 299 2HE LYS 38 1HE LYS 38 6.361 -10.125 2.753 300 1HZ LYS 38 1HZ LYS 38 4.381 -9.116 1.787 301 2HZ LYS 38 2HZ LYS 38 4.469 -8.791 3.454 302 3HZ LYS 38 3HZ LYS 38 3.399 -9.962 2.878 303 H ILE 39 H ILE 39 0.880 -12.080 5.083 304 HA ILE 39 HA ILE 39 -1.023 -11.526 2.958 305 HB ILE 39 HB ILE 39 -2.431 -10.525 4.741 306 1HG1 ILE 39 2HG1 ILE 39 -0.224 -11.526 6.560 307 2HG1 ILE 39 1HG1 ILE 39 -0.700 -9.846 6.325 308 1HG2 ILE 39 1HG2 ILE 39 -2.630 -12.856 4.036 309 2HG2 ILE 39 2HG2 ILE 39 -3.038 -12.649 5.738 310 3HG2 ILE 39 3HG2 ILE 39 -1.476 -13.331 5.281 311 1HD1 ILE 39 1HD1 ILE 39 -2.896 -10.347 7.293 312 2HD1 ILE 39 2HD1 ILE 39 -1.578 -10.700 8.410 313 3HD1 ILE 39 3HD1 ILE 39 -2.385 -12.015 7.556 314 H GLU 40 H GLU 40 -1.478 -9.515 2.152 315 HA GLU 40 HA GLU 40 0.397 -7.363 2.836 316 1HB GLU 40 2HB GLU 40 0.008 -8.414 0.028 317 2HB GLU 40 1HB GLU 40 1.123 -7.146 0.536 318 1HG GLU 40 2HG GLU 40 2.193 -8.935 2.014 319 2HG GLU 40 1HG GLU 40 1.268 -10.091 1.069 320 H VAL 41 H VAL 41 -0.139 -5.324 1.772 321 HA VAL 41 HA VAL 41 -2.988 -5.100 1.055 322 HB VAL 41 HB VAL 41 -1.395 -3.644 3.023 323 1HG1 VAL 41 1HG1 VAL 41 -2.314 -1.423 2.606 324 2HG1 VAL 41 2HG1 VAL 41 -3.039 -1.994 1.104 325 3HG1 VAL 41 3HG1 VAL 41 -1.284 -1.934 1.268 326 1HG2 VAL 41 1HG2 VAL 41 -3.489 -4.823 3.496 327 2HG2 VAL 41 2HG2 VAL 41 -4.351 -3.711 2.433 328 3HG2 VAL 41 3HG2 VAL 41 -3.600 -3.111 3.910 329 H ILE 42 H ILE 42 -3.536 -3.697 -0.714 330 HA ILE 42 HA ILE 42 -1.211 -2.846 -2.301 331 HB ILE 42 HB ILE 42 -3.873 -3.729 -3.457 332 1HG1 ILE 42 2HG1 ILE 42 -1.230 -5.234 -3.392 333 2HG1 ILE 42 1HG1 ILE 42 -2.643 -5.637 -2.423 334 1HG2 ILE 42 1HG2 ILE 42 -1.193 -2.983 -4.654 335 2HG2 ILE 42 2HG2 ILE 42 -2.733 -2.143 -4.858 336 3HG2 ILE 42 3HG2 ILE 42 -2.500 -3.738 -5.573 337 1HD1 ILE 42 1HD1 ILE 42 -2.472 -5.709 -5.426 338 2HD1 ILE 42 2HD1 ILE 42 -3.906 -6.079 -4.469 339 3HD1 ILE 42 3HD1 ILE 42 -2.472 -7.099 -4.341 340 H ILE 43 H ILE 43 -1.140 -0.750 -1.899 341 HA ILE 43 HA ILE 43 -3.573 0.855 -2.375 342 HB ILE 43 HB ILE 43 -1.079 2.111 -1.376 343 1HG1 ILE 43 2HG1 ILE 43 -2.941 0.670 0.526 344 2HG1 ILE 43 1HG1 ILE 43 -1.379 0.023 0.028 345 1HG2 ILE 43 1HG2 ILE 43 -2.650 3.525 -0.233 346 2HG2 ILE 43 2HG2 ILE 43 -3.976 2.439 -0.661 347 3HG2 ILE 43 3HG2 ILE 43 -3.132 3.342 -1.926 348 1HD1 ILE 43 1HD1 ILE 43 -1.868 2.584 1.527 349 2HD1 ILE 43 2HD1 ILE 43 -0.294 2.038 0.942 350 3HD1 ILE 43 3HD1 ILE 43 -1.161 1.098 2.163 351 H THR 44 H THR 44 -3.651 1.509 -4.415 352 HA THR 44 HA THR 44 -1.138 1.628 -5.848 353 HB THR 44 HB THR 44 -2.414 1.895 -7.836 354 HG1 THR 44 1HG THR 44 -4.104 3.168 -6.834 355 1HG2 THR 44 1HG2 THR 44 -3.611 -0.223 -6.061 356 2HG2 THR 44 2HG2 THR 44 -2.129 -0.375 -7.007 357 3HG2 THR 44 3HG2 THR 44 -3.684 -0.211 -7.825 358 H LEU 45 H LEU 45 -0.197 3.541 -4.986 359 HA LEU 45 HA LEU 45 -1.736 5.971 -5.271 360 1HB LEU 45 2HB LEU 45 -0.553 6.753 -3.555 361 2HB LEU 45 1HB LEU 45 0.099 5.145 -3.379 362 HG LEU 45 HG LEU 45 1.991 5.928 -4.920 363 1HD1 LEU 45 1HD1 LEU 45 2.428 8.339 -4.897 364 2HD1 LEU 45 2HD1 LEU 45 0.890 8.617 -4.081 365 3HD1 LEU 45 3HD1 LEU 45 0.913 7.982 -5.727 366 1HD2 LEU 45 1HD2 LEU 45 3.189 6.953 -3.051 367 2HD2 LEU 45 2HD2 LEU 45 2.279 5.527 -2.548 368 3HD2 LEU 45 3HD2 LEU 45 1.666 7.141 -2.184 369 H LYS 46 H LYS 46 -1.923 6.139 -7.430 370 HA LYS 46 HA LYS 46 0.285 7.519 -8.572 371 1HB LYS 46 2HB LYS 46 0.848 5.156 -9.164 372 2HB LYS 46 1HB LYS 46 -0.586 5.145 -10.182 373 1HG LYS 46 2HG LYS 46 0.356 7.081 -11.424 374 2HG LYS 46 1HG LYS 46 1.832 6.907 -10.478 375 1HD LYS 46 2HD LYS 46 2.068 4.603 -11.339 376 2HD LYS 46 1HD LYS 46 0.640 4.860 -12.346 377 1HE LYS 46 2HE LYS 46 3.287 6.293 -12.494 378 2HE LYS 46 1HE LYS 46 2.566 5.237 -13.708 379 1HZ LYS 46 1HZ LYS 46 0.769 6.883 -13.961 380 2HZ LYS 46 2HZ LYS 46 2.290 7.522 -14.356 381 3HZ LYS 46 3HZ LYS 46 1.570 7.910 -12.871 382 H GLU 47 H GLU 47 -1.845 5.998 -10.776 383 HA GLU 47 HA GLU 47 -3.762 8.184 -10.842 384 1HB GLU 47 2HB GLU 47 -1.940 7.523 -13.168 385 2HB GLU 47 1HB GLU 47 -3.412 8.467 -13.321 386 1HG GLU 47 2HG GLU 47 -1.105 9.243 -11.562 387 2HG GLU 47 1HG GLU 47 -1.299 9.783 -13.228 388 H ASN 48 H ASN 48 -2.669 5.734 -13.157 389 HA ASN 48 HA ASN 48 -5.284 4.374 -12.937 390 1HB ASN 48 2HB ASN 48 -4.682 5.370 -15.179 391 2HB ASN 48 1HB ASN 48 -3.306 4.277 -15.238 392 1HD2 ASN 48 1HD2 ASN 48 -6.477 3.430 -13.967 393 2HD2 ASN 48 2HD2 ASN 48 -6.863 2.293 -15.210 394 H LYS 49 H LYS 49 -2.906 4.147 -11.265 395 HA LYS 49 HA LYS 49 -2.445 1.370 -11.097 396 1HB LYS 49 2HB LYS 49 -1.129 1.642 -13.105 397 2HB LYS 49 1HB LYS 49 -0.338 3.061 -12.444 398 1HG LYS 49 2HG LYS 49 0.723 1.658 -10.745 399 2HG LYS 49 1HG LYS 49 -0.013 0.231 -11.484 400 1HD LYS 49 2HD LYS 49 1.872 2.121 -12.889 401 2HD LYS 49 1HD LYS 49 2.348 0.592 -12.153 402 1HE LYS 49 2HE LYS 49 0.693 -0.538 -13.664 403 2HE LYS 49 1HE LYS 49 0.489 1.009 -14.486 404 1HZ LYS 49 1HZ LYS 49 3.000 -0.555 -14.247 405 2HZ LYS 49 2HZ LYS 49 2.905 0.995 -14.920 406 3HZ LYS 49 3HZ LYS 49 2.100 -0.302 -15.659 407 H GLY 50 H GLY 50 -0.560 1.021 -9.410 408 1HA GLY 50 2HA GLY 50 1.033 2.986 -8.423 409 2HA GLY 50 1HA GLY 50 -0.438 3.106 -7.458 410 H GLN 51 H GLN 51 2.051 2.401 -6.347 411 HA GLN 51 HA GLN 51 1.214 -0.192 -5.319 412 1HB GLN 51 2HB GLN 51 3.693 -0.847 -5.225 413 2HB GLN 51 1HB GLN 51 2.837 -1.011 -6.751 414 1HG GLN 51 2HG GLN 51 3.780 1.284 -7.331 415 2HG GLN 51 1HG GLN 51 4.852 1.058 -5.950 416 1HE2 GLN 51 1HE2 GLN 51 6.458 -0.505 -6.045 417 2HE2 GLN 51 2HE2 GLN 51 6.923 -1.271 -7.524 418 H ARG 52 H ARG 52 1.011 -0.174 -3.347 419 HA ARG 52 HA ARG 52 2.972 1.006 -1.571 420 1HB ARG 52 2HB ARG 52 0.001 1.575 -1.399 421 2HB ARG 52 1HB ARG 52 1.153 1.914 -0.122 422 1HG ARG 52 2HG ARG 52 1.371 3.080 -2.855 423 2HG ARG 52 1HG ARG 52 0.455 3.846 -1.553 424 1HD ARG 52 2HD ARG 52 3.379 3.115 -1.414 425 2HD ARG 52 1HD ARG 52 2.744 4.739 -1.686 426 HE ARG 52 HE ARG 52 1.624 4.439 0.557 427 1HH1 ARG 52 1HH1 ARG 52 4.686 3.004 -0.281 428 2HH1 ARG 52 2HH1 ARG 52 5.194 2.773 1.366 429 1HH2 ARG 52 1HH2 ARG 52 2.263 4.144 2.733 430 2HH2 ARG 52 2HH2 ARG 52 3.789 3.394 3.098 431 H CYS 53 H CYS 53 3.566 -1.005 -0.893 432 HA CYS 53 HA CYS 53 1.371 -2.822 -0.234 433 1HB CYS 53 2HB CYS 53 4.236 -3.687 -0.497 434 2HB CYS 53 1HB CYS 53 2.766 -4.613 -0.791 435 H LEU 54 H LEU 54 0.887 -2.684 1.855 436 HA LEU 54 HA LEU 54 3.080 -2.389 3.794 437 1HB LEU 54 2HB LEU 54 1.587 -0.426 3.654 438 2HB LEU 54 1HB LEU 54 0.218 -1.453 4.038 439 HG LEU 54 HG LEU 54 1.215 -1.928 6.250 440 1HD1 LEU 54 1HD1 LEU 54 3.279 0.104 5.410 441 2HD1 LEU 54 2HD1 LEU 54 3.560 -1.614 5.700 442 3HD1 LEU 54 3HD1 LEU 54 3.090 -0.561 7.034 443 1HD2 LEU 54 1HD2 LEU 54 0.796 0.279 7.218 444 2HD2 LEU 54 2HD2 LEU 54 -0.413 -0.136 6.003 445 3HD2 LEU 54 3HD2 LEU 54 0.879 0.998 5.610 446 H ASN 55 H ASN 55 3.210 -3.827 5.428 447 HA ASN 55 HA ASN 55 1.484 -6.143 5.300 448 1HB ASN 55 2HB ASN 55 3.898 -5.538 7.028 449 2HB ASN 55 1HB ASN 55 3.022 -7.066 7.042 450 1HD2 ASN 55 1HD2 ASN 55 5.263 -5.062 5.344 451 2HD2 ASN 55 2HD2 ASN 55 5.695 -6.216 4.127 452 HA PRO 56 HA PRO 56 -1.345 -4.926 8.429 453 1HB PRO 56 2HB PRO 56 -1.378 -7.772 9.245 454 2HB PRO 56 1HB PRO 56 -2.700 -6.743 8.683 455 1HG PRO 56 2HG PRO 56 -1.703 -8.619 7.095 456 2HG PRO 56 1HG PRO 56 -2.138 -7.026 6.442 457 1HD PRO 56 2HD PRO 56 0.570 -8.087 7.190 458 2HD PRO 56 1HD PRO 56 0.078 -7.196 5.732 459 H LYS 57 H LYS 57 -1.830 -6.218 10.840 460 HA LYS 57 HA LYS 57 -1.317 -5.980 13.032 461 1HB LYS 57 2HB LYS 57 1.548 -6.233 12.088 462 2HB LYS 57 1HB LYS 57 1.051 -6.206 13.773 463 1HG LYS 57 2HG LYS 57 -0.318 -8.250 13.315 464 2HG LYS 57 1HG LYS 57 0.432 -8.313 11.717 465 1HD LYS 57 2HD LYS 57 2.642 -8.451 12.754 466 2HD LYS 57 1HD LYS 57 1.904 -8.361 14.351 467 1HE LYS 57 2HE LYS 57 2.391 -10.645 13.942 468 2HE LYS 57 1HE LYS 57 0.645 -10.455 13.781 469 1HZ LYS 57 1HZ LYS 57 2.584 -10.569 11.532 470 2HZ LYS 57 2HZ LYS 57 0.901 -10.407 11.381 471 3HZ LYS 57 3HZ LYS 57 1.561 -11.831 12.021 472 H SER 58 H SER 58 -2.112 -3.945 13.287 473 HA SER 58 HA SER 58 -2.149 -1.716 13.689 474 1HB SER 58 2HB SER 58 0.841 -2.061 14.057 475 2HB SER 58 1HB SER 58 -0.119 -0.693 14.624 476 HG SER 58 HG SER 58 -0.068 -3.359 15.556 477 H LYS 59 H LYS 59 -1.919 -2.597 10.971 478 HA LYS 59 HA LYS 59 -0.075 -0.887 9.593 479 1HB LYS 59 2HB LYS 59 -1.233 -1.675 7.541 480 2HB LYS 59 1HB LYS 59 -0.661 -2.985 8.559 481 1HG LYS 59 2HG LYS 59 -2.872 -3.443 9.334 482 2HG LYS 59 1HG LYS 59 -3.502 -1.991 8.553 483 1HD LYS 59 2HD LYS 59 -3.053 -2.901 6.373 484 2HD LYS 59 1HD LYS 59 -2.227 -4.292 7.078 485 1HE LYS 59 2HE LYS 59 -4.500 -4.842 6.320 486 2HE LYS 59 1HE LYS 59 -4.300 -5.069 8.056 487 1HZ LYS 59 1HZ LYS 59 -5.503 -2.645 6.840 488 2HZ LYS 59 2HZ LYS 59 -5.468 -3.058 8.480 489 3HZ LYS 59 3HZ LYS 59 -6.404 -3.960 7.400 490 H GLN 60 H GLN 60 -0.433 1.040 8.612 491 HA GLN 60 HA GLN 60 -2.549 2.692 9.502 492 1HB GLN 60 2HB GLN 60 -0.703 3.103 7.139 493 2HB GLN 60 1HB GLN 60 -1.690 4.342 7.900 494 1HG GLN 60 2HG GLN 60 0.640 2.881 9.115 495 2HG GLN 60 1HG GLN 60 0.578 4.575 8.625 496 1HE2 GLN 60 1HE2 GLN 60 -0.678 6.025 9.846 497 2HE2 GLN 60 2HE2 GLN 60 -1.087 5.679 11.493 498 H ALA 61 H ALA 61 -2.407 0.373 7.054 499 HA ALA 61 HA ALA 61 -4.162 1.449 5.138 500 1HB ALA 61 1HB ALA 61 -4.424 -0.827 4.340 501 2HB ALA 61 2HB ALA 61 -3.705 -1.450 5.826 502 3HB ALA 61 3HB ALA 61 -2.730 -0.496 4.708 503 H ARG 62 H ARG 62 -4.703 0.560 8.318 504 HA ARG 62 HA ARG 62 -7.322 -0.423 8.284 505 1HB ARG 62 2HB ARG 62 -5.895 -0.357 10.305 506 2HB ARG 62 1HB ARG 62 -5.975 1.396 10.300 507 1HG ARG 62 2HG ARG 62 -7.519 0.800 11.916 508 2HG ARG 62 1HG ARG 62 -8.521 1.072 10.490 509 1HD ARG 62 2HD ARG 62 -9.284 -0.932 11.517 510 2HD ARG 62 1HD ARG 62 -8.411 -1.393 10.057 511 HE ARG 62 HE ARG 62 -6.472 -1.639 11.834 512 1HH1 ARG 62 1HH1 ARG 62 -9.826 -2.591 12.094 513 2HH1 ARG 62 2HH1 ARG 62 -9.509 -3.914 13.168 514 1HH2 ARG 62 1HH2 ARG 62 -6.033 -3.388 13.243 515 2HH2 ARG 62 2HH2 ARG 62 -7.345 -4.374 13.823 516 H LEU 63 H LEU 63 -6.062 2.876 8.450 517 HA LEU 63 HA LEU 63 -8.714 4.001 8.187 518 1HB LEU 63 2HB LEU 63 -5.982 5.239 8.451 519 2HB LEU 63 1HB LEU 63 -7.431 6.194 8.193 520 HG LEU 63 HG LEU 63 -7.026 6.307 10.499 521 1HD1 LEU 63 1HD1 LEU 63 -9.359 5.836 9.975 522 2HD1 LEU 63 2HD1 LEU 63 -8.901 5.151 11.535 523 3HD1 LEU 63 3HD1 LEU 63 -9.050 4.107 10.120 524 1HD2 LEU 63 1HD2 LEU 63 -6.629 3.322 10.506 525 2HD2 LEU 63 2HD2 LEU 63 -6.587 4.372 11.922 526 3HD2 LEU 63 3HD2 LEU 63 -5.366 4.542 10.661 527 H ILE 64 H ILE 64 -6.421 2.797 6.160 528 HA ILE 64 HA ILE 64 -7.015 4.597 3.971 529 HB ILE 64 HB ILE 64 -5.378 2.050 3.916 530 1HG1 ILE 64 2HG1 ILE 64 -4.402 3.641 5.492 531 2HG1 ILE 64 1HG1 ILE 64 -3.408 3.535 4.046 532 1HG2 ILE 64 1HG2 ILE 64 -5.489 4.382 1.998 533 2HG2 ILE 64 2HG2 ILE 64 -6.147 2.772 1.713 534 3HG2 ILE 64 3HG2 ILE 64 -4.406 2.995 1.871 535 1HD1 ILE 64 1HD1 ILE 64 -5.365 5.729 4.684 536 2HD1 ILE 64 2HD1 ILE 64 -4.374 5.622 3.230 537 3HD1 ILE 64 3HD1 ILE 64 -3.607 5.827 4.806 538 H ILE 65 H ILE 65 -8.240 1.760 5.358 539 HA ILE 65 HA ILE 65 -9.594 0.667 3.111 540 HB ILE 65 HB ILE 65 -10.128 0.530 6.075 541 1HG1 ILE 65 2HG1 ILE 65 -8.216 -0.757 5.253 542 2HG1 ILE 65 1HG1 ILE 65 -9.501 -1.831 5.790 543 1HG2 ILE 65 1HG2 ILE 65 -11.901 -1.078 5.640 544 2HG2 ILE 65 2HG2 ILE 65 -11.693 -0.853 3.902 545 3HG2 ILE 65 3HG2 ILE 65 -12.273 0.480 4.898 546 1HD1 ILE 65 1HD1 ILE 65 -8.909 -1.110 2.931 547 2HD1 ILE 65 2HD1 ILE 65 -10.154 -2.228 3.489 548 3HD1 ILE 65 3HD1 ILE 65 -8.448 -2.610 3.735 549 H LYS 66 H LYS 66 -10.362 3.124 5.494 550 HA LYS 66 HA LYS 66 -12.948 3.634 4.410 551 1HB LYS 66 2HB LYS 66 -11.234 5.328 6.238 552 2HB LYS 66 1HB LYS 66 -12.933 5.617 5.887 553 1HG LYS 66 2HG LYS 66 -11.797 3.194 7.266 554 2HG LYS 66 1HG LYS 66 -12.663 4.526 8.036 555 1HD LYS 66 2HD LYS 66 -14.673 3.975 6.804 556 2HD LYS 66 1HD LYS 66 -13.816 2.717 5.911 557 1HE LYS 66 2HE LYS 66 -13.448 1.487 7.982 558 2HE LYS 66 1HE LYS 66 -14.269 2.752 8.893 559 1HZ LYS 66 1HZ LYS 66 -15.528 1.092 6.768 560 2HZ LYS 66 2HZ LYS 66 -16.304 2.261 7.723 561 3HZ LYS 66 3HZ LYS 66 -15.706 0.842 8.437 562 H LYS 67 H LYS 67 -9.958 4.119 3.220 563 HA LYS 67 HA LYS 67 -10.574 6.611 1.848 564 1HB LYS 67 2HB LYS 67 -8.109 4.861 1.704 565 2HB LYS 67 1HB LYS 67 -8.311 6.385 0.852 566 1HG LYS 67 2HG LYS 67 -8.342 6.072 3.845 567 2HG LYS 67 1HG LYS 67 -6.948 6.584 2.892 568 1HD LYS 67 2HD LYS 67 -8.122 8.553 2.149 569 2HD LYS 67 1HD LYS 67 -9.604 8.011 2.938 570 1HE LYS 67 2HE LYS 67 -7.025 8.647 4.365 571 2HE LYS 67 1HE LYS 67 -8.396 9.746 4.219 572 1HZ LYS 67 1HZ LYS 67 -8.443 8.613 6.333 573 2HZ LYS 67 2HZ LYS 67 -8.419 7.100 5.574 574 3HZ LYS 67 3HZ LYS 67 -9.764 8.117 5.392 575 H VAL 68 H VAL 68 -10.040 3.192 1.268 576 HA VAL 68 HA VAL 68 -10.759 3.187 -1.466 577 HB VAL 68 HB VAL 68 -11.203 0.989 0.578 578 1HG1 VAL 68 1HG1 VAL 68 -11.149 -0.519 -1.357 579 2HG1 VAL 68 2HG1 VAL 68 -11.053 0.880 -2.427 580 3HG1 VAL 68 3HG1 VAL 68 -12.491 0.624 -1.438 581 1HG2 VAL 68 1HG2 VAL 68 -9.092 0.060 -0.226 582 2HG2 VAL 68 2HG2 VAL 68 -8.887 1.628 0.554 583 3HG2 VAL 68 3HG2 VAL 68 -8.846 1.505 -1.206 584 H GLU 69 H GLU 69 -12.450 3.303 1.541 585 HA GLU 69 HA GLU 69 -15.003 2.492 0.617 586 1HB GLU 69 2HB GLU 69 -14.208 2.390 2.987 587 2HB GLU 69 1HB GLU 69 -14.308 4.145 3.048 588 1HG GLU 69 2HG GLU 69 -16.254 3.206 4.068 589 2HG GLU 69 1HG GLU 69 -16.699 3.994 2.554 590 H ARG 70 H ARG 70 -13.207 5.338 0.273 591 HA ARG 70 HA ARG 70 -15.470 7.133 0.174 592 1HB ARG 70 2HB ARG 70 -13.337 7.956 1.033 593 2HB ARG 70 1HB ARG 70 -12.559 7.581 -0.498 594 1HG ARG 70 2HG ARG 70 -14.030 9.221 -1.612 595 2HG ARG 70 1HG ARG 70 -14.707 9.638 -0.035 596 1HD ARG 70 2HD ARG 70 -12.550 10.384 0.740 597 2HD ARG 70 1HD ARG 70 -11.788 9.847 -0.757 598 HE ARG 70 HE ARG 70 -13.886 11.908 -0.857 599 1HH1 ARG 70 1HH1 ARG 70 -10.540 10.959 -1.286 600 2HH1 ARG 70 2HH1 ARG 70 -10.097 12.414 -2.135 601 1HH2 ARG 70 1HH2 ARG 70 -13.337 13.796 -1.988 602 2HH2 ARG 70 2HH2 ARG 70 -11.702 14.032 -2.545 603 H LYS 71 H LYS 71 -16.762 6.458 -1.494 604 HA LYS 71 HA LYS 71 -15.619 6.854 -4.183 605 1HB LYS 71 2HB LYS 71 -17.514 5.535 -5.064 606 2HB LYS 71 1HB LYS 71 -16.519 4.599 -3.960 607 1HG LYS 71 2HG LYS 71 -18.893 5.969 -2.829 608 2HG LYS 71 1HG LYS 71 -19.169 4.571 -3.870 609 1HD LYS 71 2HD LYS 71 -17.719 3.219 -2.457 610 2HD LYS 71 1HD LYS 71 -17.389 4.619 -1.436 611 1HE LYS 71 2HE LYS 71 -19.670 4.724 -0.726 612 2HE LYS 71 1HE LYS 71 -20.147 3.494 -1.893 613 1HZ LYS 71 1HZ LYS 71 -18.891 1.861 -0.693 614 2HZ LYS 71 2HZ LYS 71 -19.930 2.646 0.395 615 3HZ LYS 71 3HZ LYS 71 -18.281 3.027 0.371 616 H ASN 72 H ASN 72 -16.761 8.661 -2.039 617 HA ASN 72 HA ASN 72 -18.370 10.309 -3.781 618 1HB ASN 72 2HB ASN 72 -20.226 10.510 -2.136 619 2HB ASN 72 1HB ASN 72 -20.099 8.890 -2.810 620 1HD2 ASN 72 1HD2 ASN 72 -19.794 10.840 0.032 621 2HD2 ASN 72 2HD2 ASN 72 -19.584 9.544 1.159 622 H PHE 73 H PHE 73 -18.216 12.443 -3.263 623 HA PHE 73 HA PHE 73 -17.530 14.362 -2.291 624 1HB PHE 73 2HB PHE 73 -17.855 12.693 0.203 625 2HB PHE 73 1HB PHE 73 -17.422 14.398 0.248 626 HD1 PHE 73 1HD PHE 73 -19.033 16.099 -0.206 627 HD2 PHE 73 2HD PHE 73 -20.075 11.986 -0.588 628 HE1 PHE 73 1HE PHE 73 -21.413 16.715 -0.319 629 HE2 PHE 73 2HE PHE 73 -22.454 12.600 -0.708 630 HZ PHE 73 HZ PHE 73 -23.125 14.967 -0.573 Start of MODEL 6 1 1H PHE 1 1HT PHE 1 22.345 -16.261 -8.694 2 2H PHE 1 2HT PHE 1 22.447 -17.948 -8.519 3 3H PHE 1 3HT PHE 1 23.855 -17.009 -8.503 4 HA PHE 1 HA PHE 1 23.309 -17.682 -6.287 5 1HB PHE 1 2HB PHE 1 24.381 -15.530 -6.506 6 2HB PHE 1 1HB PHE 1 22.852 -14.752 -6.893 7 HD1 PHE 1 1HD PHE 1 21.860 -13.539 -5.237 8 HD2 PHE 1 2HD PHE 1 24.320 -16.838 -4.160 9 HE1 PHE 1 1HE PHE 1 21.505 -13.022 -2.859 10 HE2 PHE 1 2HE PHE 1 23.969 -16.326 -1.780 11 HZ PHE 1 HZ PHE 1 22.561 -14.420 -1.125 12 HA PRO 2 HA PRO 2 18.877 -18.157 -5.666 13 1HB PRO 2 2HB PRO 2 19.642 -19.550 -3.222 14 2HB PRO 2 1HB PRO 2 18.864 -20.195 -4.667 15 1HG PRO 2 2HG PRO 2 21.404 -20.828 -3.961 16 2HG PRO 2 1HG PRO 2 20.861 -20.767 -5.647 17 1HD PRO 2 2HD PRO 2 22.397 -18.728 -4.075 18 2HD PRO 2 1HD PRO 2 22.641 -19.279 -5.748 19 H MET 3 H MET 3 17.810 -18.256 -3.111 20 HA MET 3 HA MET 3 18.877 -15.979 -1.633 21 1HB MET 3 2HB MET 3 17.275 -15.035 -3.296 22 2HB MET 3 1HB MET 3 16.007 -16.026 -2.586 23 1HG MET 3 2HG MET 3 15.859 -13.776 -1.750 24 2HG MET 3 1HG MET 3 16.324 -14.868 -0.446 25 1HE MET 3 1HE MET 3 18.213 -11.555 0.480 26 2HE MET 3 2HE MET 3 17.094 -12.798 1.043 27 3HE MET 3 3HE MET 3 16.615 -11.699 -0.251 28 H PHE 4 H PHE 4 16.240 -18.324 -1.886 29 HA PHE 4 HA PHE 4 15.273 -19.728 -0.410 30 1HB PHE 4 2HB PHE 4 17.549 -20.430 0.160 31 2HB PHE 4 1HB PHE 4 17.678 -19.117 1.325 32 HD1 PHE 4 1HD PHE 4 17.124 -19.493 3.539 33 HD2 PHE 4 2HD PHE 4 15.623 -22.124 0.550 34 HE1 PHE 4 1HE PHE 4 16.199 -20.947 5.290 35 HE2 PHE 4 2HE PHE 4 14.696 -23.586 2.299 36 HZ PHE 4 HZ PHE 4 14.985 -22.996 4.673 37 H LYS 5 H LYS 5 13.446 -18.639 -0.005 38 HA LYS 5 HA LYS 5 11.845 -17.576 1.197 39 1HB LYS 5 2HB LYS 5 13.878 -17.739 3.430 40 2HB LYS 5 1HB LYS 5 12.204 -17.247 3.634 41 1HG LYS 5 2HG LYS 5 11.463 -19.456 2.883 42 2HG LYS 5 1HG LYS 5 13.147 -19.944 2.681 43 1HD LYS 5 2HD LYS 5 12.272 -20.767 4.797 44 2HD LYS 5 1HD LYS 5 13.535 -19.565 5.075 45 1HE LYS 5 2HE LYS 5 11.776 -17.857 5.410 46 2HE LYS 5 1HE LYS 5 10.556 -19.119 5.232 47 1HZ LYS 5 1HZ LYS 5 11.560 -20.249 7.155 48 2HZ LYS 5 2HZ LYS 5 10.962 -18.713 7.546 49 3HZ LYS 5 3HZ LYS 5 12.633 -18.951 7.350 50 H ARG 6 H ARG 6 11.958 -15.573 3.108 51 HA ARG 6 HA ARG 6 12.344 -13.373 3.495 52 1HB ARG 6 2HB ARG 6 14.763 -14.007 3.225 53 2HB ARG 6 1HB ARG 6 14.636 -13.537 1.536 54 1HG ARG 6 2HG ARG 6 15.639 -11.769 2.853 55 2HG ARG 6 1HG ARG 6 14.076 -11.256 2.215 56 1HD ARG 6 2HD ARG 6 14.432 -10.599 4.575 57 2HD ARG 6 1HD ARG 6 13.026 -11.634 4.344 58 HE ARG 6 HE ARG 6 15.103 -13.335 4.970 59 1HH1 ARG 6 1HH1 ARG 6 13.553 -10.603 6.514 60 2HH1 ARG 6 2HH1 ARG 6 13.828 -11.191 8.124 61 1HH2 ARG 6 1HH2 ARG 6 15.441 -14.128 7.069 62 2HH2 ARG 6 2HH2 ARG 6 14.890 -13.211 8.443 63 H GLY 7 H GLY 7 12.870 -14.095 0.037 64 1HA GLY 7 2HA GLY 7 11.346 -11.702 -0.677 65 2HA GLY 7 1HA GLY 7 12.246 -12.728 -1.783 66 H ARG 8 H ARG 8 9.329 -12.519 0.168 67 HA ARG 8 HA ARG 8 7.982 -14.270 -1.777 68 1HB ARG 8 2HB ARG 8 7.738 -14.303 1.236 69 2HB ARG 8 1HB ARG 8 6.597 -15.104 0.164 70 1HG ARG 8 2HG ARG 8 9.510 -15.708 -0.060 71 2HG ARG 8 1HG ARG 8 8.550 -16.443 1.227 72 1HD ARG 8 2HD ARG 8 7.830 -16.573 -1.699 73 2HD ARG 8 1HD ARG 8 8.742 -17.822 -0.848 74 HE ARG 8 HE ARG 8 5.908 -17.242 -0.606 75 1HH1 ARG 8 1HH1 ARG 8 8.705 -18.928 0.660 76 2HH1 ARG 8 2HH1 ARG 8 7.774 -20.005 1.662 77 1HH2 ARG 8 1HH2 ARG 8 4.667 -18.644 0.709 78 2HH2 ARG 8 2HH2 ARG 8 5.470 -19.823 1.702 79 H CYS 9 H CYS 9 7.163 -12.295 1.053 80 HA CYS 9 HA CYS 9 5.417 -10.652 -0.646 81 1HB CYS 9 2HB CYS 9 4.691 -11.669 2.126 82 2HB CYS 9 1HB CYS 9 3.690 -10.647 1.089 83 H LEU 10 H LEU 10 8.072 -10.251 0.180 84 HA LEU 10 HA LEU 10 8.468 -8.706 2.461 85 1HB LEU 10 2HB LEU 10 10.280 -9.633 1.096 86 2HB LEU 10 1HB LEU 10 9.853 -8.557 -0.217 87 HG LEU 10 HG LEU 10 10.432 -6.623 1.267 88 1HD1 LEU 10 1HD1 LEU 10 11.534 -8.791 3.047 89 2HD1 LEU 10 2HD1 LEU 10 10.177 -7.731 3.417 90 3HD1 LEU 10 3HD1 LEU 10 11.798 -7.059 3.247 91 1HD2 LEU 10 1HD2 LEU 10 11.982 -7.434 -0.418 92 2HD2 LEU 10 2HD2 LEU 10 12.615 -8.628 0.714 93 3HD2 LEU 10 3HD2 LEU 10 12.853 -6.908 1.022 94 H CYS 11 H CYS 11 7.846 -6.707 2.997 95 HA CYS 11 HA CYS 11 7.007 -4.910 0.848 96 1HB CYS 11 2HB CYS 11 5.353 -5.910 3.111 97 2HB CYS 11 1HB CYS 11 5.088 -4.273 2.520 98 H ILE 12 H ILE 12 7.525 -2.937 1.020 99 HA ILE 12 HA ILE 12 7.874 -1.607 3.584 100 HB ILE 12 HB ILE 12 10.174 -2.324 2.820 101 1HG1 ILE 12 2HG1 ILE 12 9.686 0.666 2.738 102 2HG1 ILE 12 1HG1 ILE 12 9.840 -0.294 4.204 103 1HG2 ILE 12 1HG2 ILE 12 9.545 -0.531 0.474 104 2HG2 ILE 12 2HG2 ILE 12 9.820 -2.273 0.431 105 3HG2 ILE 12 3HG2 ILE 12 11.142 -1.183 0.851 106 1HD1 ILE 12 1HD1 ILE 12 11.892 0.901 3.707 107 2HD1 ILE 12 2HD1 ILE 12 11.985 0.109 2.133 108 3HD1 ILE 12 3HD1 ILE 12 12.135 -0.844 3.608 109 H GLY 13 H GLY 13 7.700 0.844 3.145 110 1HA GLY 13 2HA GLY 13 5.566 1.225 1.305 111 2HA GLY 13 1HA GLY 13 6.373 2.493 2.181 112 HA PRO 14 HA PRO 14 8.189 2.183 -2.202 113 1HB PRO 14 2HB PRO 14 6.642 0.851 -3.957 114 2HB PRO 14 1HB PRO 14 7.711 0.006 -2.831 115 1HG PRO 14 2HG PRO 14 4.782 0.194 -2.842 116 2HG PRO 14 1HG PRO 14 5.825 -0.978 -2.026 117 1HD PRO 14 2HD PRO 14 4.576 1.411 -0.928 118 2HD PRO 14 1HD PRO 14 5.456 0.128 -0.091 119 H GLY 15 H GLY 15 6.436 4.196 -1.163 120 1HA GLY 15 2HA GLY 15 5.586 5.498 -3.562 121 2HA GLY 15 1HA GLY 15 4.216 4.865 -2.665 122 H VAL 16 H VAL 16 3.241 6.460 -1.597 123 HA VAL 16 HA VAL 16 4.897 8.379 -0.132 124 HB VAL 16 HB VAL 16 3.608 10.309 -0.954 125 1HG1 VAL 16 1HG1 VAL 16 4.628 10.463 -3.188 126 2HG1 VAL 16 2HG1 VAL 16 4.970 8.733 -3.135 127 3HG1 VAL 16 3HG1 VAL 16 5.748 9.822 -1.985 128 1HG2 VAL 16 1HG2 VAL 16 2.227 10.106 -2.984 129 2HG2 VAL 16 2HG2 VAL 16 1.557 9.204 -1.624 130 3HG2 VAL 16 3HG2 VAL 16 2.408 8.352 -2.910 131 H LYS 17 H LYS 17 2.866 10.098 0.698 132 HA LYS 17 HA LYS 17 1.521 8.259 2.518 133 1HB LYS 17 2HB LYS 17 1.178 10.211 3.963 134 2HB LYS 17 1HB LYS 17 2.871 9.973 3.566 135 1HG LYS 17 2HG LYS 17 2.734 11.762 1.905 136 2HG LYS 17 1HG LYS 17 1.030 11.993 2.299 137 1HD LYS 17 2HD LYS 17 3.312 12.299 4.250 138 2HD LYS 17 1HD LYS 17 2.509 13.634 3.417 139 1HE LYS 17 2HE LYS 17 0.418 13.101 4.493 140 2HE LYS 17 1HE LYS 17 1.120 11.663 5.232 141 1HZ LYS 17 1HZ LYS 17 2.089 14.420 5.758 142 2HZ LYS 17 2HZ LYS 17 2.515 13.002 6.586 143 3HZ LYS 17 3HZ LYS 17 0.944 13.627 6.724 144 H ALA 18 H ALA 18 0.747 10.396 -0.097 145 HA ALA 18 HA ALA 18 -1.971 9.600 -0.073 146 1HB ALA 18 1HB ALA 18 -1.477 12.451 0.767 147 2HB ALA 18 2HB ALA 18 -2.086 11.161 1.805 148 3HB ALA 18 3HB ALA 18 -3.047 11.718 0.435 149 H VAL 19 H VAL 19 -2.745 9.697 -2.043 150 HA VAL 19 HA VAL 19 -1.975 11.956 -3.785 151 HB VAL 19 HB VAL 19 -2.508 10.493 -5.739 152 1HG1 VAL 19 1HG1 VAL 19 -0.253 9.529 -3.983 153 2HG1 VAL 19 2HG1 VAL 19 -0.197 10.919 -5.067 154 3HG1 VAL 19 3HG1 VAL 19 -0.384 9.293 -5.726 155 1HG2 VAL 19 1HG2 VAL 19 -2.513 8.070 -5.420 156 2HG2 VAL 19 2HG2 VAL 19 -3.865 8.837 -4.586 157 3HG2 VAL 19 3HG2 VAL 19 -2.456 8.302 -3.671 158 H LYS 20 H LYS 20 -4.149 10.776 -5.646 159 HA LYS 20 HA LYS 20 -6.319 12.267 -4.478 160 1HB LYS 20 2HB LYS 20 -5.888 12.220 -6.931 161 2HB LYS 20 1HB LYS 20 -6.344 10.520 -6.946 162 1HG LYS 20 2HG LYS 20 -8.186 11.916 -7.685 163 2HG LYS 20 1HG LYS 20 -8.585 11.112 -6.166 164 1HD LYS 20 2HD LYS 20 -9.322 13.414 -6.080 165 2HD LYS 20 1HD LYS 20 -7.982 13.184 -4.954 166 1HE LYS 20 2HE LYS 20 -7.690 15.262 -6.161 167 2HE LYS 20 1HE LYS 20 -6.441 14.114 -6.637 168 1HZ LYS 20 1HZ LYS 20 -7.687 13.619 -8.635 169 2HZ LYS 20 2HZ LYS 20 -7.361 15.279 -8.542 170 3HZ LYS 20 3HZ LYS 20 -8.915 14.700 -8.178 171 H VAL 21 H VAL 21 -7.269 11.393 -2.784 172 HA VAL 21 HA VAL 21 -7.057 8.615 -2.170 173 HB VAL 21 HB VAL 21 -8.238 9.237 -0.085 174 1HG1 VAL 21 1HG1 VAL 21 -5.821 9.450 -0.212 175 2HG1 VAL 21 2HG1 VAL 21 -6.500 10.751 0.768 176 3HG1 VAL 21 3HG1 VAL 21 -5.982 11.072 -0.886 177 1HG2 VAL 21 1HG2 VAL 21 -8.358 11.983 -1.338 178 2HG2 VAL 21 2HG2 VAL 21 -8.754 11.605 0.338 179 3HG2 VAL 21 3HG2 VAL 21 -9.735 10.943 -0.969 180 H ALA 22 H ALA 22 -8.865 9.513 -4.419 181 HA ALA 22 HA ALA 22 -10.951 7.606 -3.800 182 1HB ALA 22 1HB ALA 22 -12.779 9.058 -4.492 183 2HB ALA 22 2HB ALA 22 -11.651 10.394 -4.716 184 3HB ALA 22 3HB ALA 22 -11.937 9.744 -3.102 185 H ASP 23 H ASP 23 -8.572 8.191 -5.625 186 HA ASP 23 HA ASP 23 -9.923 7.436 -8.135 187 1HB ASP 23 2HB ASP 23 -8.810 9.877 -7.879 188 2HB ASP 23 1HB ASP 23 -7.371 8.958 -8.294 189 H ILE 24 H ILE 24 -6.736 7.782 -6.680 190 HA ILE 24 HA ILE 24 -6.122 4.990 -7.264 191 HB ILE 24 HB ILE 24 -3.670 6.284 -7.497 192 1HG1 ILE 24 2HG1 ILE 24 -4.124 7.799 -9.504 193 2HG1 ILE 24 1HG1 ILE 24 -5.803 7.833 -8.976 194 1HG2 ILE 24 1HG2 ILE 24 -4.378 4.292 -8.665 195 2HG2 ILE 24 2HG2 ILE 24 -3.789 5.486 -9.819 196 3HG2 ILE 24 3HG2 ILE 24 -5.523 5.224 -9.628 197 1HD1 ILE 24 1HD1 ILE 24 -5.084 8.771 -6.828 198 2HD1 ILE 24 2HD1 ILE 24 -4.628 9.788 -8.195 199 3HD1 ILE 24 3HD1 ILE 24 -3.418 8.777 -7.407 200 H GLU 25 H GLU 25 -3.877 4.567 -6.065 201 HA GLU 25 HA GLU 25 -3.386 3.838 -4.018 202 1HB GLU 25 2HB GLU 25 -2.518 6.040 -3.692 203 2HB GLU 25 1HB GLU 25 -4.122 6.691 -3.378 204 1HG GLU 25 2HG GLU 25 -4.254 5.432 -1.300 205 2HG GLU 25 1HG GLU 25 -2.676 4.718 -1.617 206 H LYS 26 H LYS 26 -5.105 2.518 -4.500 207 HA LYS 26 HA LYS 26 -7.333 2.744 -2.635 208 1HB LYS 26 2HB LYS 26 -8.764 1.584 -4.344 209 2HB LYS 26 1HB LYS 26 -8.315 3.228 -4.770 210 1HG LYS 26 2HG LYS 26 -6.784 2.501 -6.398 211 2HG LYS 26 1HG LYS 26 -6.813 0.842 -5.794 212 1HD LYS 26 2HD LYS 26 -9.146 0.622 -6.491 213 2HD LYS 26 1HD LYS 26 -9.133 2.284 -7.084 214 1HE LYS 26 2HE LYS 26 -7.533 1.736 -8.775 215 2HE LYS 26 1HE LYS 26 -7.285 0.129 -8.092 216 1HZ LYS 26 1HZ LYS 26 -9.888 1.059 -9.181 217 2HZ LYS 26 2HZ LYS 26 -9.462 -0.522 -8.738 218 3HZ LYS 26 3HZ LYS 26 -8.743 0.201 -10.093 219 H ALA 27 H ALA 27 -6.429 1.442 -1.215 220 HA ALA 27 HA ALA 27 -5.163 -1.025 -1.978 221 1HB ALA 27 1HB ALA 27 -4.004 -0.365 -0.230 222 2HB ALA 27 2HB ALA 27 -5.307 -1.051 0.741 223 3HB ALA 27 3HB ALA 27 -5.289 0.677 0.374 224 H SER 28 H SER 28 -6.128 -2.840 -2.161 225 HA SER 28 HA SER 28 -8.557 -3.423 -0.654 226 1HB SER 28 2HB SER 28 -8.781 -2.188 -2.975 227 2HB SER 28 1HB SER 28 -8.597 -3.827 -3.592 228 HG SER 28 HG SER 28 -10.573 -2.918 -1.759 229 H ILE 29 H ILE 29 -6.581 -4.836 0.032 230 HA ILE 29 HA ILE 29 -7.595 -7.410 -0.595 231 HB ILE 29 HB ILE 29 -5.934 -7.569 -2.275 232 1HG1 ILE 29 2HG1 ILE 29 -4.778 -8.830 0.214 233 2HG1 ILE 29 1HG1 ILE 29 -6.051 -9.519 -0.789 234 1HG2 ILE 29 1HG2 ILE 29 -4.636 -5.599 -1.626 235 2HG2 ILE 29 2HG2 ILE 29 -3.608 -6.986 -1.986 236 3HG2 ILE 29 3HG2 ILE 29 -3.912 -6.525 -0.311 237 1HD1 ILE 29 1HD1 ILE 29 -3.881 -10.533 -1.242 238 2HD1 ILE 29 2HD1 ILE 29 -3.235 -8.953 -1.684 239 3HD1 ILE 29 3HD1 ILE 29 -4.509 -9.687 -2.656 240 H MET 30 H MET 30 -8.009 -8.086 1.454 241 HA MET 30 HA MET 30 -5.890 -7.488 3.405 242 1HB MET 30 2HB MET 30 -8.092 -6.584 3.981 243 2HB MET 30 1HB MET 30 -8.778 -8.211 3.938 244 1HG MET 30 2HG MET 30 -8.398 -7.588 6.216 245 2HG MET 30 1HG MET 30 -7.248 -8.851 5.780 246 1HE MET 30 1HE MET 30 -7.049 -5.054 4.735 247 2HE MET 30 2HE MET 30 -6.143 -4.378 6.089 248 3HE MET 30 3HE MET 30 -7.768 -5.010 6.346 249 H TYR 31 H TYR 31 -4.646 -9.111 2.535 250 HA TYR 31 HA TYR 31 -5.257 -11.822 3.373 251 1HB TYR 31 2HB TYR 31 -4.909 -11.006 0.481 252 2HB TYR 31 1HB TYR 31 -4.723 -12.653 1.025 253 HD1 TYR 31 1HD TYR 31 -6.999 -10.171 -0.115 254 HD2 TYR 31 2HD TYR 31 -6.762 -13.772 2.131 255 HE1 TYR 31 1HE TYR 31 -9.402 -10.536 -0.465 256 HE2 TYR 31 2HE TYR 31 -9.171 -14.147 1.792 257 HH TYR 31 HH TYR 31 -11.182 -12.923 1.254 258 HA PRO 32 HA PRO 32 -0.737 -11.919 3.677 259 1HB PRO 32 2HB PRO 32 -0.402 -14.598 3.561 260 2HB PRO 32 1HB PRO 32 -1.023 -13.776 4.998 261 1HG PRO 32 2HG PRO 32 -2.549 -15.147 2.806 262 2HG PRO 32 1HG PRO 32 -2.715 -15.334 4.565 263 1HD PRO 32 2HD PRO 32 -4.386 -13.748 3.201 264 2HD PRO 32 1HD PRO 32 -3.784 -13.267 4.801 265 H SER 33 H SER 33 -1.743 -11.322 1.062 266 HA SER 33 HA SER 33 -1.369 -11.510 -1.168 267 1HB SER 33 2HB SER 33 1.263 -12.465 -0.037 268 2HB SER 33 1HB SER 33 1.003 -12.273 -1.776 269 HG SER 33 HG SER 33 0.908 -10.319 0.271 270 H ASN 34 H ASN 34 -2.249 -13.913 0.519 271 HA ASN 34 HA ASN 34 -2.773 -16.103 0.336 272 1HB ASN 34 2HB ASN 34 -2.968 -15.212 -2.543 273 2HB ASN 34 1HB ASN 34 -3.447 -16.823 -2.018 274 1HD2 ASN 34 1HD2 ASN 34 -5.583 -16.451 -2.634 275 2HD2 ASN 34 2HD2 ASN 34 -6.639 -15.425 -1.714 276 H ASN 35 H ASN 35 0.116 -15.423 0.217 277 HA ASN 35 HA ASN 35 0.990 -18.029 -0.826 278 1HB ASN 35 2HB ASN 35 1.438 -16.351 -2.611 279 2HB ASN 35 1HB ASN 35 2.378 -15.405 -1.465 280 1HD2 ASN 35 1HD2 ASN 35 2.246 -18.353 -3.331 281 2HD2 ASN 35 2HD2 ASN 35 3.936 -18.724 -3.221 282 H CYS 36 H CYS 36 0.612 -16.147 1.684 283 HA CYS 36 HA CYS 36 3.212 -16.678 2.913 284 1HB CYS 36 2HB CYS 36 1.981 -14.027 2.296 285 2HB CYS 36 1HB CYS 36 3.057 -14.196 3.696 286 H ASP 37 H ASP 37 3.108 -15.570 5.211 287 HA ASP 37 HA ASP 37 0.480 -16.183 6.401 288 1HB ASP 37 2HB ASP 37 3.253 -16.561 7.545 289 2HB ASP 37 1HB ASP 37 1.791 -16.612 8.525 290 H LYS 38 H LYS 38 1.872 -13.726 5.283 291 HA LYS 38 HA LYS 38 1.427 -12.008 7.620 292 1HB LYS 38 2HB LYS 38 3.147 -10.521 6.918 293 2HB LYS 38 1HB LYS 38 3.855 -12.126 6.838 294 1HG LYS 38 2HG LYS 38 3.723 -12.176 4.479 295 2HG LYS 38 1HG LYS 38 2.619 -10.801 4.463 296 1HD LYS 38 2HD LYS 38 5.495 -10.664 5.365 297 2HD LYS 38 1HD LYS 38 4.933 -10.231 3.749 298 1HE LYS 38 2HE LYS 38 4.199 -8.913 6.362 299 2HE LYS 38 1HE LYS 38 5.142 -8.220 5.045 300 1HZ LYS 38 1HZ LYS 38 2.249 -8.861 5.051 301 2HZ LYS 38 2HZ LYS 38 3.093 -8.487 3.635 302 3HZ LYS 38 3HZ LYS 38 2.968 -7.340 4.885 303 H ILE 39 H ILE 39 0.048 -10.368 7.233 304 HA ILE 39 HA ILE 39 -1.384 -10.576 4.695 305 HB ILE 39 HB ILE 39 -3.250 -9.449 5.786 306 1HG1 ILE 39 2HG1 ILE 39 -1.570 -9.503 8.309 307 2HG1 ILE 39 1HG1 ILE 39 -1.890 -8.057 7.358 308 1HG2 ILE 39 1HG2 ILE 39 -2.184 -11.756 7.406 309 2HG2 ILE 39 2HG2 ILE 39 -3.093 -11.874 5.899 310 3HG2 ILE 39 3HG2 ILE 39 -3.864 -11.221 7.345 311 1HD1 ILE 39 1HD1 ILE 39 -3.963 -9.732 8.758 312 2HD1 ILE 39 2HD1 ILE 39 -4.270 -8.265 7.828 313 3HD1 ILE 39 3HD1 ILE 39 -3.328 -8.186 9.317 314 H GLU 40 H GLU 40 -1.664 -8.835 3.347 315 HA GLU 40 HA GLU 40 -0.886 -6.188 4.246 316 1HB GLU 40 2HB GLU 40 0.598 -5.782 2.341 317 2HB GLU 40 1HB GLU 40 1.232 -7.036 3.401 318 1HG GLU 40 2HG GLU 40 -0.458 -7.923 1.149 319 2HG GLU 40 1HG GLU 40 1.145 -7.268 0.743 320 H VAL 41 H VAL 41 -1.330 -4.566 2.614 321 HA VAL 41 HA VAL 41 -3.700 -5.310 1.052 322 HB VAL 41 HB VAL 41 -3.578 -3.604 3.119 323 1HG1 VAL 41 1HG1 VAL 41 -2.017 -2.078 2.097 324 2HG1 VAL 41 2HG1 VAL 41 -3.581 -1.290 2.296 325 3HG1 VAL 41 3HG1 VAL 41 -3.083 -1.867 0.707 326 1HG2 VAL 41 1HG2 VAL 41 -5.303 -3.314 0.684 327 2HG2 VAL 41 2HG2 VAL 41 -5.669 -2.660 2.281 328 3HG2 VAL 41 3HG2 VAL 41 -5.569 -4.413 2.043 329 H ILE 42 H ILE 42 -4.003 -3.939 -1.021 330 HA ILE 42 HA ILE 42 -1.326 -3.244 -2.057 331 HB ILE 42 HB ILE 42 -3.573 -4.556 -3.596 332 1HG1 ILE 42 2HG1 ILE 42 -2.259 -6.135 -2.246 333 2HG1 ILE 42 1HG1 ILE 42 -1.922 -6.362 -3.958 334 1HG2 ILE 42 1HG2 ILE 42 -0.929 -3.426 -4.518 335 2HG2 ILE 42 2HG2 ILE 42 -2.545 -2.911 -5.010 336 3HG2 ILE 42 3HG2 ILE 42 -1.938 -4.496 -5.495 337 1HD1 ILE 42 1HD1 ILE 42 0.165 -5.138 -3.717 338 2HD1 ILE 42 2HD1 ILE 42 0.099 -6.510 -2.611 339 3HD1 ILE 42 3HD1 ILE 42 -0.178 -4.876 -2.009 340 H ILE 43 H ILE 43 -1.203 -1.183 -2.276 341 HA ILE 43 HA ILE 43 -3.547 0.310 -3.224 342 HB ILE 43 HB ILE 43 -1.305 1.892 -2.214 343 1HG1 ILE 43 2HG1 ILE 43 -2.995 0.461 -0.149 344 2HG1 ILE 43 1HG1 ILE 43 -1.344 -0.019 -0.539 345 1HG2 ILE 43 1HG2 ILE 43 -3.154 3.113 -1.186 346 2HG2 ILE 43 2HG2 ILE 43 -4.266 1.840 -1.703 347 3HG2 ILE 43 3HG2 ILE 43 -3.409 2.814 -2.907 348 1HD1 ILE 43 1HD1 ILE 43 -0.590 2.270 0.079 349 2HD1 ILE 43 2HD1 ILE 43 -1.301 1.362 1.419 350 3HD1 ILE 43 3HD1 ILE 43 -2.238 2.618 0.612 351 H THR 44 H THR 44 -2.995 2.140 -4.611 352 HA THR 44 HA THR 44 -0.414 1.990 -5.925 353 HB THR 44 HB THR 44 -1.437 0.555 -7.369 354 HG1 THR 44 1HG THR 44 -1.701 3.212 -8.258 355 1HG2 THR 44 1HG2 THR 44 -3.697 0.642 -6.462 356 2HG2 THR 44 2HG2 THR 44 -3.740 0.754 -8.221 357 3HG2 THR 44 3HG2 THR 44 -3.962 2.203 -7.240 358 H LEU 45 H LEU 45 0.072 4.044 -5.231 359 HA LEU 45 HA LEU 45 -1.906 6.120 -5.625 360 1HB LEU 45 2HB LEU 45 0.145 7.491 -4.593 361 2HB LEU 45 1HB LEU 45 -1.048 6.656 -3.622 362 HG LEU 45 HG LEU 45 0.599 4.674 -3.695 363 1HD1 LEU 45 1HD1 LEU 45 2.953 5.323 -3.880 364 2HD1 LEU 45 2HD1 LEU 45 2.464 6.940 -4.388 365 3HD1 LEU 45 3HD1 LEU 45 2.096 5.548 -5.405 366 1HD2 LEU 45 1HD2 LEU 45 0.050 5.913 -1.693 367 2HD2 LEU 45 2HD2 LEU 45 1.172 7.196 -2.148 368 3HD2 LEU 45 3HD2 LEU 45 1.784 5.593 -1.742 369 H LYS 46 H LYS 46 -1.896 6.020 -7.815 370 HA LYS 46 HA LYS 46 0.122 7.525 -9.163 371 1HB LYS 46 2HB LYS 46 0.659 4.832 -8.944 372 2HB LYS 46 1HB LYS 46 -0.071 4.966 -10.537 373 1HG LYS 46 2HG LYS 46 2.344 6.463 -9.541 374 2HG LYS 46 1HG LYS 46 2.332 5.129 -10.693 375 1HD LYS 46 2HD LYS 46 0.948 6.541 -12.211 376 2HD LYS 46 1HD LYS 46 1.155 7.879 -11.080 377 1HE LYS 46 2HE LYS 46 3.587 7.739 -11.375 378 2HE LYS 46 1HE LYS 46 3.366 6.420 -12.524 379 1HZ LYS 46 1HZ LYS 46 2.690 9.274 -12.834 380 2HZ LYS 46 2HZ LYS 46 1.904 8.101 -13.769 381 3HZ LYS 46 3HZ LYS 46 3.589 8.271 -13.871 382 H GLU 47 H GLU 47 -1.442 4.991 -10.841 383 HA GLU 47 HA GLU 47 -3.875 6.205 -11.556 384 1HB GLU 47 2HB GLU 47 -3.291 6.770 -13.920 385 2HB GLU 47 1HB GLU 47 -2.520 7.826 -12.745 386 1HG GLU 47 2HG GLU 47 -0.495 6.286 -12.955 387 2HG GLU 47 1HG GLU 47 -1.292 5.648 -14.394 388 H ASN 48 H ASN 48 -3.504 3.808 -10.667 389 HA ASN 48 HA ASN 48 -3.548 1.554 -10.934 390 1HB ASN 48 2HB ASN 48 -4.068 2.145 -13.863 391 2HB ASN 48 1HB ASN 48 -4.289 0.591 -13.070 392 1HD2 ASN 48 1HD2 ASN 48 -5.500 1.560 -10.683 393 2HD2 ASN 48 2HD2 ASN 48 -7.074 2.152 -11.105 394 H LYS 49 H LYS 49 -1.269 1.637 -10.382 395 HA LYS 49 HA LYS 49 0.533 0.687 -12.367 396 1HB LYS 49 2HB LYS 49 0.296 3.003 -13.146 397 2HB LYS 49 1HB LYS 49 0.852 3.555 -11.571 398 1HG LYS 49 2HG LYS 49 2.634 3.610 -13.230 399 2HG LYS 49 1HG LYS 49 2.987 2.490 -11.917 400 1HD LYS 49 2HD LYS 49 2.230 0.626 -13.338 401 2HD LYS 49 1HD LYS 49 1.929 1.763 -14.650 402 1HE LYS 49 2HE LYS 49 4.047 0.664 -15.003 403 2HE LYS 49 1HE LYS 49 4.318 2.366 -14.638 404 1HZ LYS 49 1HZ LYS 49 4.581 0.140 -12.679 405 2HZ LYS 49 2HZ LYS 49 4.908 1.778 -12.385 406 3HZ LYS 49 3HZ LYS 49 5.869 0.905 -13.474 407 H GLY 50 H GLY 50 0.546 2.717 -9.412 408 1HA GLY 50 2HA GLY 50 3.199 1.792 -8.802 409 2HA GLY 50 1HA GLY 50 2.244 2.933 -7.868 410 H GLN 51 H GLN 51 3.777 0.940 -6.697 411 HA GLN 51 HA GLN 51 1.677 -0.854 -5.693 412 1HB GLN 51 2HB GLN 51 3.588 -2.192 -4.731 413 2HB GLN 51 1HB GLN 51 3.470 -2.204 -6.485 414 1HG GLN 51 2HG GLN 51 5.288 -0.667 -6.682 415 2HG GLN 51 1HG GLN 51 5.316 -0.399 -4.940 416 1HE2 GLN 51 1HE2 GLN 51 7.408 -1.343 -6.765 417 2HE2 GLN 51 2HE2 GLN 51 7.920 -2.875 -6.135 418 H ARG 52 H ARG 52 1.137 -0.893 -3.693 419 HA ARG 52 HA ARG 52 2.727 0.444 -1.681 420 1HB ARG 52 2HB ARG 52 -0.123 1.250 -2.399 421 2HB ARG 52 1HB ARG 52 0.592 1.556 -0.821 422 1HG ARG 52 2HG ARG 52 1.690 2.593 -3.415 423 2HG ARG 52 1HG ARG 52 0.619 3.474 -2.330 424 1HD ARG 52 2HD ARG 52 3.302 2.364 -1.528 425 2HD ARG 52 1HD ARG 52 3.027 4.032 -2.028 426 HE ARG 52 HE ARG 52 1.246 3.476 0.041 427 1HH1 ARG 52 1HH1 ARG 52 4.690 3.723 -0.430 428 2HH1 ARG 52 2HH1 ARG 52 5.019 4.258 1.189 429 1HH2 ARG 52 1HH2 ARG 52 1.665 4.135 2.201 430 2HH2 ARG 52 2HH2 ARG 52 3.300 4.459 2.699 431 H CYS 53 H CYS 53 3.035 -1.639 -0.779 432 HA CYS 53 HA CYS 53 0.551 -2.758 0.287 433 1HB CYS 53 2HB CYS 53 1.879 -4.817 0.794 434 2HB CYS 53 1HB CYS 53 1.727 -4.452 -0.918 435 H LEU 54 H LEU 54 0.311 -1.248 1.901 436 HA LEU 54 HA LEU 54 2.576 -0.693 3.625 437 1HB LEU 54 2HB LEU 54 1.202 1.150 2.728 438 2HB LEU 54 1HB LEU 54 -0.183 0.529 3.606 439 HG LEU 54 HG LEU 54 0.989 0.956 5.737 440 1HD1 LEU 54 1HD1 LEU 54 3.283 0.739 4.999 441 2HD1 LEU 54 2HD1 LEU 54 3.033 2.326 5.726 442 3HD1 LEU 54 3HD1 LEU 54 3.115 2.162 3.972 443 1HD2 LEU 54 1HD2 LEU 54 0.834 3.394 5.664 444 2HD2 LEU 54 2HD2 LEU 54 -0.516 2.631 4.822 445 3HD2 LEU 54 3HD2 LEU 54 0.811 3.341 3.901 446 H ASN 55 H ASN 55 2.429 -2.981 4.408 447 HA ASN 55 HA ASN 55 1.491 -2.694 7.083 448 1HB ASN 55 2HB ASN 55 -0.577 -3.598 6.019 449 2HB ASN 55 1HB ASN 55 0.339 -5.038 5.563 450 1HD2 ASN 55 1HD2 ASN 55 -0.873 -6.428 6.855 451 2HD2 ASN 55 2HD2 ASN 55 -0.760 -6.408 8.586 452 HA PRO 56 HA PRO 56 5.081 -5.448 7.140 453 1HB PRO 56 2HB PRO 56 6.293 -3.597 8.965 454 2HB PRO 56 1HB PRO 56 6.816 -4.004 7.330 455 1HG PRO 56 2HG PRO 56 5.839 -1.541 8.089 456 2HG PRO 56 1HG PRO 56 5.830 -2.162 6.429 457 1HD PRO 56 2HD PRO 56 3.612 -2.098 8.442 458 2HD PRO 56 1HD PRO 56 3.556 -1.797 6.691 459 H LYS 57 H LYS 57 2.986 -3.787 9.304 460 HA LYS 57 HA LYS 57 2.584 -5.842 11.131 461 1HB LYS 57 2HB LYS 57 3.774 -4.937 13.118 462 2HB LYS 57 1HB LYS 57 4.873 -5.504 11.867 463 1HG LYS 57 2HG LYS 57 5.135 -3.157 11.107 464 2HG LYS 57 1HG LYS 57 4.148 -2.641 12.472 465 1HD LYS 57 2HD LYS 57 6.426 -2.348 13.095 466 2HD LYS 57 1HD LYS 57 5.823 -3.749 13.978 467 1HE LYS 57 2HE LYS 57 7.287 -4.024 11.368 468 2HE LYS 57 1HE LYS 57 8.141 -3.917 12.905 469 1HZ LYS 57 1HZ LYS 57 6.971 -5.883 13.667 470 2HZ LYS 57 2HZ LYS 57 7.800 -6.211 12.224 471 3HZ LYS 57 3HZ LYS 57 6.122 -5.985 12.201 472 H SER 58 H SER 58 1.168 -5.225 12.846 473 HA SER 58 HA SER 58 -0.431 -4.100 13.943 474 1HB SER 58 2HB SER 58 -0.131 -1.751 14.478 475 2HB SER 58 1HB SER 58 1.414 -2.590 14.580 476 HG SER 58 HG SER 58 1.410 -1.767 12.172 477 H LYS 59 H LYS 59 -0.314 -4.130 10.756 478 HA LYS 59 HA LYS 59 -1.690 -3.621 9.039 479 1HB LYS 59 2HB LYS 59 -3.353 -4.710 10.557 480 2HB LYS 59 1HB LYS 59 -3.787 -3.116 11.158 481 1HG LYS 59 2HG LYS 59 -4.420 -2.472 8.852 482 2HG LYS 59 1HG LYS 59 -4.096 -4.127 8.341 483 1HD LYS 59 2HD LYS 59 -6.104 -3.349 10.453 484 2HD LYS 59 1HD LYS 59 -6.502 -3.644 8.762 485 1HE LYS 59 2HE LYS 59 -7.000 -5.674 9.751 486 2HE LYS 59 1HE LYS 59 -5.367 -5.940 9.148 487 1HZ LYS 59 1HZ LYS 59 -4.512 -5.511 11.370 488 2HZ LYS 59 2HZ LYS 59 -5.641 -6.773 11.401 489 3HZ LYS 59 3HZ LYS 59 -6.081 -5.227 11.946 490 H GLN 60 H GLN 60 -0.302 -1.747 8.727 491 HA GLN 60 HA GLN 60 -1.241 0.807 9.675 492 1HB GLN 60 2HB GLN 60 1.068 -0.134 8.033 493 2HB GLN 60 1HB GLN 60 0.620 1.567 7.980 494 1HG GLN 60 2HG GLN 60 0.911 1.762 10.363 495 2HG GLN 60 1HG GLN 60 1.218 0.033 10.501 496 1HE2 GLN 60 1HE2 GLN 60 3.204 -0.769 9.978 497 2HE2 GLN 60 2HE2 GLN 60 4.576 0.235 9.658 498 H ALA 61 H ALA 61 -2.103 -1.176 7.139 499 HA ALA 61 HA ALA 61 -2.831 0.823 5.235 500 1HB ALA 61 1HB ALA 61 -2.528 -1.504 4.571 501 2HB ALA 61 2HB ALA 61 -4.160 -0.952 4.194 502 3HB ALA 61 3HB ALA 61 -3.879 -1.986 5.596 503 H ARG 62 H ARG 62 -3.844 0.254 8.272 504 HA ARG 62 HA ARG 62 -6.631 0.427 8.224 505 1HB ARG 62 2HB ARG 62 -5.212 -0.133 10.197 506 2HB ARG 62 1HB ARG 62 -4.709 1.546 10.273 507 1HG ARG 62 2HG ARG 62 -6.941 2.254 10.797 508 2HG ARG 62 1HG ARG 62 -7.556 0.616 10.557 509 1HD ARG 62 2HD ARG 62 -6.241 -0.184 12.426 510 2HD ARG 62 1HD ARG 62 -5.524 1.413 12.637 511 HE ARG 62 HE ARG 62 -8.025 2.065 12.976 512 1HH1 ARG 62 1HH1 ARG 62 -6.461 -0.871 14.101 513 2HH1 ARG 62 2HH1 ARG 62 -7.485 -1.023 15.495 514 1HH2 ARG 62 1HH2 ARG 62 -9.367 1.851 14.802 515 2HH2 ARG 62 2HH2 ARG 62 -9.138 0.524 15.898 516 H LEU 63 H LEU 63 -4.123 2.868 8.017 517 HA LEU 63 HA LEU 63 -5.930 5.089 8.177 518 1HB LEU 63 2HB LEU 63 -3.069 4.990 7.238 519 2HB LEU 63 1HB LEU 63 -3.967 6.445 7.632 520 HG LEU 63 HG LEU 63 -3.241 4.269 9.598 521 1HD1 LEU 63 1HD1 LEU 63 -2.065 7.015 9.191 522 2HD1 LEU 63 2HD1 LEU 63 -1.272 5.479 8.844 523 3HD1 LEU 63 3HD1 LEU 63 -1.669 5.910 10.508 524 1HD2 LEU 63 1HD2 LEU 63 -4.473 6.988 10.034 525 2HD2 LEU 63 2HD2 LEU 63 -4.008 5.843 11.291 526 3HD2 LEU 63 3HD2 LEU 63 -5.310 5.441 10.172 527 H ILE 64 H ILE 64 -4.990 2.931 5.779 528 HA ILE 64 HA ILE 64 -5.613 4.796 3.653 529 HB ILE 64 HB ILE 64 -4.829 1.875 3.423 530 1HG1 ILE 64 2HG1 ILE 64 -3.067 3.167 4.538 531 2HG1 ILE 64 1HG1 ILE 64 -2.561 2.674 2.926 532 1HG2 ILE 64 1HG2 ILE 64 -5.945 2.724 1.434 533 2HG2 ILE 64 2HG2 ILE 64 -4.231 2.450 1.113 534 3HG2 ILE 64 3HG2 ILE 64 -4.829 4.089 1.373 535 1HD1 ILE 64 1HD1 ILE 64 -3.046 4.924 2.098 536 2HD1 ILE 64 2HD1 ILE 64 -1.872 4.948 3.414 537 3HD1 ILE 64 3HD1 ILE 64 -3.547 5.405 3.719 538 H ILE 65 H ILE 65 -7.210 2.686 5.665 539 HA ILE 65 HA ILE 65 -9.066 1.436 3.968 540 HB ILE 65 HB ILE 65 -9.156 2.107 6.897 541 1HG1 ILE 65 2HG1 ILE 65 -7.663 0.292 6.229 542 2HG1 ILE 65 1HG1 ILE 65 -9.033 -0.350 7.132 543 1HG2 ILE 65 1HG2 ILE 65 -11.439 2.255 6.043 544 2HG2 ILE 65 2HG2 ILE 65 -11.233 0.847 7.089 545 3HG2 ILE 65 3HG2 ILE 65 -11.283 0.645 5.337 546 1HD1 ILE 65 1HD1 ILE 65 -10.088 -1.040 5.049 547 2HD1 ILE 65 2HD1 ILE 65 -8.484 -1.753 5.222 548 3HD1 ILE 65 3HD1 ILE 65 -8.730 -0.383 4.136 549 H LYS 66 H LYS 66 -9.216 4.448 5.806 550 HA LYS 66 HA LYS 66 -11.832 5.059 4.871 551 1HB LYS 66 2HB LYS 66 -11.554 7.204 5.950 552 2HB LYS 66 1HB LYS 66 -10.967 5.929 7.006 553 1HG LYS 66 2HG LYS 66 -8.674 6.472 6.418 554 2HG LYS 66 1HG LYS 66 -9.247 7.724 5.310 555 1HD LYS 66 2HD LYS 66 -10.375 8.816 7.248 556 2HD LYS 66 1HD LYS 66 -9.589 7.638 8.302 557 1HE LYS 66 2HE LYS 66 -7.407 8.429 7.609 558 2HE LYS 66 1HE LYS 66 -8.150 9.548 6.465 559 1HZ LYS 66 1HZ LYS 66 -9.235 10.639 8.365 560 2HZ LYS 66 2HZ LYS 66 -7.545 10.722 8.447 561 3HZ LYS 66 3HZ LYS 66 -8.389 9.621 9.425 562 H LYS 67 H LYS 67 -9.053 4.895 3.228 563 HA LYS 67 HA LYS 67 -9.583 7.200 1.519 564 1HB LYS 67 2HB LYS 67 -7.431 5.090 1.380 565 2HB LYS 67 1HB LYS 67 -7.657 6.323 0.147 566 1HG LYS 67 2HG LYS 67 -7.281 8.048 1.904 567 2HG LYS 67 1HG LYS 67 -6.872 6.740 3.021 568 1HD LYS 67 2HD LYS 67 -5.052 6.038 1.592 569 2HD LYS 67 1HD LYS 67 -5.500 7.238 0.379 570 1HE LYS 67 2HE LYS 67 -5.013 9.022 2.020 571 2HE LYS 67 1HE LYS 67 -4.486 7.790 3.167 572 1HZ LYS 67 1HZ LYS 67 -3.268 8.307 0.501 573 2HZ LYS 67 2HZ LYS 67 -2.763 7.126 1.599 574 3HZ LYS 67 3HZ LYS 67 -2.608 8.762 1.995 575 H VAL 68 H VAL 68 -9.214 3.705 1.208 576 HA VAL 68 HA VAL 68 -10.428 3.562 -1.353 577 HB VAL 68 HB VAL 68 -10.415 1.170 0.443 578 1HG1 VAL 68 1HG1 VAL 68 -9.645 1.590 -2.434 579 2HG1 VAL 68 2HG1 VAL 68 -11.162 0.912 -1.842 580 3HG1 VAL 68 3HG1 VAL 68 -9.647 0.044 -1.584 581 1HG2 VAL 68 1HG2 VAL 68 -8.351 2.157 1.080 582 2HG2 VAL 68 2HG2 VAL 68 -7.946 2.521 -0.597 583 3HG2 VAL 68 3HG2 VAL 68 -7.998 0.844 -0.044 584 H GLU 69 H GLU 69 -11.597 3.830 1.829 585 HA GLU 69 HA GLU 69 -14.094 2.618 1.731 586 1HB GLU 69 2HB GLU 69 -13.011 3.639 3.730 587 2HB GLU 69 1HB GLU 69 -13.385 5.229 3.082 588 1HG GLU 69 2HG GLU 69 -15.779 4.674 3.179 589 2HG GLU 69 1HG GLU 69 -15.355 3.119 3.891 590 H ARG 70 H ARG 70 -12.981 5.558 0.216 591 HA ARG 70 HA ARG 70 -15.564 6.701 -0.172 592 1HB ARG 70 2HB ARG 70 -12.869 7.304 -1.353 593 2HB ARG 70 1HB ARG 70 -14.322 8.139 -1.884 594 1HG ARG 70 2HG ARG 70 -14.622 8.556 0.695 595 2HG ARG 70 1HG ARG 70 -12.873 8.307 0.700 596 1HD ARG 70 2HD ARG 70 -13.453 10.676 0.441 597 2HD ARG 70 1HD ARG 70 -12.596 10.050 -0.969 598 HE ARG 70 HE ARG 70 -15.343 9.790 -1.438 599 1HH1 ARG 70 1HH1 ARG 70 -12.998 12.363 -0.989 600 2HH1 ARG 70 2HH1 ARG 70 -13.838 13.463 -2.044 601 1HH2 ARG 70 1HH2 ARG 70 -16.447 11.253 -2.790 602 2HH2 ARG 70 2HH2 ARG 70 -15.785 12.839 -3.056 603 H LYS 71 H LYS 71 -13.680 4.383 -1.931 604 HA LYS 71 HA LYS 71 -15.660 4.536 -4.102 605 1HB LYS 71 2HB LYS 71 -13.339 5.063 -4.813 606 2HB LYS 71 1HB LYS 71 -12.839 3.463 -4.282 607 1HG LYS 71 2HG LYS 71 -14.078 2.397 -5.974 608 2HG LYS 71 1HG LYS 71 -14.986 3.865 -6.338 609 1HD LYS 71 2HD LYS 71 -12.019 3.529 -6.769 610 2HD LYS 71 1HD LYS 71 -13.246 3.345 -8.025 611 1HE LYS 71 2HE LYS 71 -13.973 5.669 -7.604 612 2HE LYS 71 1HE LYS 71 -12.672 5.838 -6.428 613 1HZ LYS 71 1HZ LYS 71 -11.093 5.362 -8.242 614 2HZ LYS 71 2HZ LYS 71 -11.992 6.773 -8.511 615 3HZ LYS 71 3HZ LYS 71 -12.382 5.351 -9.343 616 H ASN 72 H ASN 72 -17.043 3.252 -2.827 617 HA ASN 72 HA ASN 72 -16.236 0.567 -2.164 618 1HB ASN 72 2HB ASN 72 -18.584 0.325 -1.358 619 2HB ASN 72 1HB ASN 72 -17.718 1.665 -0.620 620 1HD2 ASN 72 1HD2 ASN 72 -20.320 0.725 -2.677 621 2HD2 ASN 72 2HD2 ASN 72 -21.058 2.282 -2.813 622 H PHE 73 H PHE 73 -16.709 -1.250 -3.220 623 HA PHE 73 HA PHE 73 -17.626 -0.925 -5.968 624 1HB PHE 73 2HB PHE 73 -16.329 -3.319 -4.646 625 2HB PHE 73 1HB PHE 73 -16.603 -3.097 -6.371 626 HD1 PHE 73 1HD PHE 73 -15.309 -1.378 -7.615 627 HD2 PHE 73 2HD PHE 73 -14.463 -2.345 -3.557 628 HE1 PHE 73 1HE PHE 73 -13.101 -0.311 -7.825 629 HE2 PHE 73 2HE PHE 73 -12.255 -1.279 -3.760 630 HZ PHE 73 HZ PHE 73 -11.572 -0.262 -5.895 Start of MODEL 7 1 1H PHE 1 1HT PHE 1 18.571 -28.659 12.306 2 2H PHE 1 2HT PHE 1 17.755 -30.141 12.389 3 3H PHE 1 3HT PHE 1 17.010 -28.735 12.972 4 HA PHE 1 HA PHE 1 17.678 -29.362 10.154 5 1HB PHE 1 2HB PHE 1 15.016 -28.939 11.543 6 2HB PHE 1 1HB PHE 1 15.232 -29.223 9.820 7 HD1 PHE 1 1HD PHE 1 16.039 -31.430 9.034 8 HD2 PHE 1 2HD PHE 1 15.004 -30.722 13.098 9 HE1 PHE 1 1HE PHE 1 15.882 -33.857 9.414 10 HE2 PHE 1 2HE PHE 1 14.849 -33.146 13.487 11 HZ PHE 1 HZ PHE 1 15.290 -34.715 11.643 12 HA PRO 2 HA PRO 2 17.798 -24.897 9.770 13 1HB PRO 2 2HB PRO 2 18.020 -25.315 6.909 14 2HB PRO 2 1HB PRO 2 19.241 -24.717 8.033 15 1HG PRO 2 2HG PRO 2 19.393 -27.143 6.791 16 2HG PRO 2 1HG PRO 2 20.141 -26.793 8.358 17 1HD PRO 2 2HD PRO 2 17.593 -28.240 7.754 18 2HD PRO 2 1HD PRO 2 18.827 -28.590 8.983 19 H MET 3 H MET 3 15.674 -24.355 10.228 20 HA MET 3 HA MET 3 13.765 -24.624 8.002 21 1HB MET 3 2HB MET 3 13.140 -25.794 10.112 22 2HB MET 3 1HB MET 3 13.125 -24.237 10.930 23 1HG MET 3 2HG MET 3 10.881 -24.946 10.332 24 2HG MET 3 1HG MET 3 11.334 -23.473 9.476 25 1HE MET 3 1HE MET 3 8.843 -25.201 8.606 26 2HE MET 3 2HE MET 3 9.057 -25.236 6.855 27 3HE MET 3 3HE MET 3 9.374 -23.752 7.753 28 H PHE 4 H PHE 4 13.671 -22.814 6.878 29 HA PHE 4 HA PHE 4 13.294 -20.286 8.295 30 1HB PHE 4 2HB PHE 4 15.702 -20.391 7.928 31 2HB PHE 4 1HB PHE 4 15.455 -20.748 6.223 32 HD1 PHE 4 1HD PHE 4 14.825 -18.141 8.797 33 HD2 PHE 4 2HD PHE 4 15.377 -19.031 4.673 34 HE1 PHE 4 1HE PHE 4 14.909 -15.734 8.292 35 HE2 PHE 4 2HE PHE 4 15.457 -16.628 4.160 36 HZ PHE 4 HZ PHE 4 15.226 -14.976 5.969 37 H LYS 5 H LYS 5 11.742 -19.120 7.393 38 HA LYS 5 HA LYS 5 10.637 -19.868 4.821 39 1HB LYS 5 2HB LYS 5 9.903 -17.831 6.915 40 2HB LYS 5 1HB LYS 5 9.135 -17.834 5.335 41 1HG LYS 5 2HG LYS 5 8.253 -20.041 5.716 42 2HG LYS 5 1HG LYS 5 9.130 -20.161 7.245 43 1HD LYS 5 2HD LYS 5 7.825 -18.407 8.213 44 2HD LYS 5 1HD LYS 5 7.070 -18.040 6.663 45 1HE LYS 5 2HE LYS 5 5.576 -19.301 8.141 46 2HE LYS 5 1HE LYS 5 5.952 -20.190 6.667 47 1HZ LYS 5 1HZ LYS 5 6.015 -21.520 8.756 48 2HZ LYS 5 2HZ LYS 5 7.377 -20.623 9.235 49 3HZ LYS 5 3HZ LYS 5 7.436 -21.583 7.835 50 H ARG 6 H ARG 6 11.688 -19.206 3.058 51 HA ARG 6 HA ARG 6 13.431 -17.003 2.928 52 1HB ARG 6 2HB ARG 6 13.488 -18.877 1.325 53 2HB ARG 6 1HB ARG 6 11.933 -18.368 0.680 54 1HG ARG 6 2HG ARG 6 12.947 -16.231 -0.009 55 2HG ARG 6 1HG ARG 6 14.508 -16.812 0.572 56 1HD ARG 6 2HD ARG 6 12.836 -18.060 -1.600 57 2HD ARG 6 1HD ARG 6 14.305 -17.113 -1.835 58 HE ARG 6 HE ARG 6 15.103 -19.116 -0.184 59 1HH1 ARG 6 1HH1 ARG 6 13.387 -19.059 -3.239 60 2HH1 ARG 6 2HH1 ARG 6 14.042 -20.580 -3.779 61 1HH2 ARG 6 1HH2 ARG 6 15.998 -21.089 -0.904 62 2HH2 ARG 6 2HH2 ARG 6 15.553 -21.723 -2.463 63 H GLY 7 H GLY 7 10.080 -17.408 1.785 64 1HA GLY 7 2HA GLY 7 8.692 -15.400 2.545 65 2HA GLY 7 1HA GLY 7 9.878 -14.468 1.642 66 H ARG 8 H ARG 8 7.119 -16.552 1.455 67 HA ARG 8 HA ARG 8 7.050 -16.539 -1.436 68 1HB ARG 8 2HB ARG 8 4.919 -17.318 0.571 69 2HB ARG 8 1HB ARG 8 4.832 -17.589 -1.161 70 1HG ARG 8 2HG ARG 8 6.871 -18.801 0.690 71 2HG ARG 8 1HG ARG 8 5.429 -19.611 0.078 72 1HD ARG 8 2HD ARG 8 6.275 -19.278 -2.228 73 2HD ARG 8 1HD ARG 8 7.749 -18.581 -1.557 74 HE ARG 8 HE ARG 8 7.150 -21.199 -0.523 75 1HH1 ARG 8 1HH1 ARG 8 8.672 -19.438 -3.150 76 2HH1 ARG 8 2HH1 ARG 8 9.724 -20.754 -3.592 77 1HH2 ARG 8 1HH2 ARG 8 8.539 -22.914 -1.076 78 2HH2 ARG 8 2HH2 ARG 8 9.641 -22.740 -2.416 79 H CYS 9 H CYS 9 6.496 -14.324 0.927 80 HA CYS 9 HA CYS 9 4.600 -12.789 -0.706 81 1HB CYS 9 2HB CYS 9 4.476 -12.678 2.298 82 2HB CYS 9 1HB CYS 9 3.218 -12.306 1.111 83 H LEU 10 H LEU 10 5.210 -10.701 -0.991 84 HA LEU 10 HA LEU 10 7.439 -9.733 0.663 85 1HB LEU 10 2HB LEU 10 8.430 -8.657 -1.271 86 2HB LEU 10 1HB LEU 10 8.295 -10.384 -1.528 87 HG LEU 10 HG LEU 10 6.231 -8.500 -2.632 88 1HD1 LEU 10 1HD1 LEU 10 7.499 -8.452 -4.722 89 2HD1 LEU 10 2HD1 LEU 10 8.829 -9.300 -3.932 90 3HD1 LEU 10 3HD1 LEU 10 8.380 -7.677 -3.406 91 1HD2 LEU 10 1HD2 LEU 10 5.711 -10.889 -2.637 92 2HD2 LEU 10 2HD2 LEU 10 7.214 -11.221 -3.497 93 3HD2 LEU 10 3HD2 LEU 10 5.941 -10.286 -4.279 94 H CYS 11 H CYS 11 7.081 -7.887 1.630 95 HA CYS 11 HA CYS 11 5.439 -5.859 0.316 96 1HB CYS 11 2HB CYS 11 3.949 -7.065 1.906 97 2HB CYS 11 1HB CYS 11 5.060 -6.652 3.207 98 H ILE 12 H ILE 12 6.871 -4.297 0.055 99 HA ILE 12 HA ILE 12 8.820 -3.755 2.171 100 HB ILE 12 HB ILE 12 9.530 -4.105 -0.231 101 1HG1 ILE 12 2HG1 ILE 12 11.151 -2.214 -0.249 102 2HG1 ILE 12 1HG1 ILE 12 10.257 -1.478 1.077 103 1HG2 ILE 12 1HG2 ILE 12 7.730 -2.917 -1.335 104 2HG2 ILE 12 2HG2 ILE 12 9.292 -2.241 -1.797 105 3HG2 ILE 12 3HG2 ILE 12 8.275 -1.397 -0.629 106 1HD1 ILE 12 1HD1 ILE 12 11.615 -4.160 1.163 107 2HD1 ILE 12 2HD1 ILE 12 10.776 -3.370 2.500 108 3HD1 ILE 12 3HD1 ILE 12 12.250 -2.663 1.841 109 H GLY 13 H GLY 13 9.199 -0.957 1.638 110 1HA GLY 13 2HA GLY 13 6.519 0.035 2.360 111 2HA GLY 13 1HA GLY 13 7.986 0.709 2.981 112 HA PRO 14 HA PRO 14 7.357 2.453 -1.408 113 1HB PRO 14 2HB PRO 14 5.400 1.478 -2.920 114 2HB PRO 14 1HB PRO 14 6.850 0.499 -2.631 115 1HG PRO 14 2HG PRO 14 4.164 0.321 -1.345 116 2HG PRO 14 1HG PRO 14 5.231 -0.985 -1.887 117 1HD PRO 14 2HD PRO 14 5.036 -0.010 0.741 118 2HD PRO 14 1HD PRO 14 6.362 -0.996 0.105 119 H GLY 15 H GLY 15 5.637 2.640 1.141 120 1HA GLY 15 2HA GLY 15 3.266 4.060 0.285 121 2HA GLY 15 1HA GLY 15 3.806 3.819 1.945 122 H VAL 16 H VAL 16 3.572 5.993 -0.612 123 HA VAL 16 HA VAL 16 5.918 7.520 0.198 124 HB VAL 16 HB VAL 16 4.019 8.059 -2.087 125 1HG1 VAL 16 1HG1 VAL 16 5.183 10.072 -1.332 126 2HG1 VAL 16 2HG1 VAL 16 5.766 9.553 -2.912 127 3HG1 VAL 16 3HG1 VAL 16 6.729 9.237 -1.468 128 1HG2 VAL 16 1HG2 VAL 16 5.208 5.945 -2.347 129 2HG2 VAL 16 2HG2 VAL 16 6.745 6.765 -2.062 130 3HG2 VAL 16 3HG2 VAL 16 5.794 7.146 -3.500 131 H LYS 17 H LYS 17 2.774 8.869 -0.835 132 HA LYS 17 HA LYS 17 2.660 10.271 1.726 133 1HB LYS 17 2HB LYS 17 3.919 11.598 -0.080 134 2HB LYS 17 1HB LYS 17 2.359 11.816 -0.845 135 1HG LYS 17 2HG LYS 17 2.820 13.752 0.451 136 2HG LYS 17 1HG LYS 17 1.548 12.851 1.278 137 1HD LYS 17 2HD LYS 17 3.044 12.045 2.916 138 2HD LYS 17 1HD LYS 17 4.455 12.529 1.976 139 1HE LYS 17 2HE LYS 17 4.151 14.060 3.813 140 2HE LYS 17 1HE LYS 17 3.819 14.891 2.295 141 1HZ LYS 17 1HZ LYS 17 1.763 13.791 4.135 142 2HZ LYS 17 2HZ LYS 17 1.460 14.641 2.698 143 3HZ LYS 17 3HZ LYS 17 2.195 15.426 4.006 144 H ALA 18 H ALA 18 0.848 11.000 -1.245 145 HA ALA 18 HA ALA 18 -1.476 9.566 -0.692 146 1HB ALA 18 1HB ALA 18 -1.572 10.911 1.365 147 2HB ALA 18 2HB ALA 18 -2.934 11.237 0.291 148 3HB ALA 18 3HB ALA 18 -1.595 12.381 0.390 149 H VAL 19 H VAL 19 -2.988 9.855 -2.271 150 HA VAL 19 HA VAL 19 -2.784 12.189 -4.039 151 HB VAL 19 HB VAL 19 -3.170 10.597 -6.007 152 1HG1 VAL 19 1HG1 VAL 19 -1.083 11.785 -5.718 153 2HG1 VAL 19 2HG1 VAL 19 -0.757 10.137 -6.259 154 3HG1 VAL 19 3HG1 VAL 19 -0.519 10.574 -4.566 155 1HG2 VAL 19 1HG2 VAL 19 -2.302 8.328 -5.747 156 2HG2 VAL 19 2HG2 VAL 19 -3.695 8.601 -4.700 157 3HG2 VAL 19 3HG2 VAL 19 -2.067 8.613 -4.022 158 H LYS 20 H LYS 20 -4.741 11.023 -5.901 159 HA LYS 20 HA LYS 20 -7.105 11.905 -4.612 160 1HB LYS 20 2HB LYS 20 -6.674 12.047 -7.075 161 2HB LYS 20 1HB LYS 20 -6.860 10.301 -7.170 162 1HG LYS 20 2HG LYS 20 -8.903 11.314 -7.869 163 2HG LYS 20 1HG LYS 20 -9.173 10.560 -6.297 164 1HD LYS 20 2HD LYS 20 -8.829 12.777 -5.233 165 2HD LYS 20 1HD LYS 20 -8.715 13.492 -6.841 166 1HE LYS 20 2HE LYS 20 -11.092 11.995 -5.752 167 2HE LYS 20 1HE LYS 20 -10.951 13.748 -5.851 168 1HZ LYS 20 1HZ LYS 20 -12.201 13.028 -7.703 169 2HZ LYS 20 2HZ LYS 20 -11.096 11.815 -8.099 170 3HZ LYS 20 3HZ LYS 20 -10.674 13.443 -8.307 171 H VAL 21 H VAL 21 -8.016 10.784 -3.010 172 HA VAL 21 HA VAL 21 -7.380 8.051 -2.504 173 HB VAL 21 HB VAL 21 -8.759 8.282 -0.508 174 1HG1 VAL 21 1HG1 VAL 21 -6.491 9.168 -0.470 175 2HG1 VAL 21 2HG1 VAL 21 -7.560 10.136 0.544 176 3HG1 VAL 21 3HG1 VAL 21 -7.078 10.727 -1.046 177 1HG2 VAL 21 1HG2 VAL 21 -9.556 10.961 -1.649 178 2HG2 VAL 21 2HG2 VAL 21 -9.947 10.373 -0.033 179 3HG2 VAL 21 3HG2 VAL 21 -10.608 9.559 -1.451 180 H ALA 22 H ALA 22 -9.197 8.839 -4.849 181 HA ALA 22 HA ALA 22 -11.033 6.610 -4.506 182 1HB ALA 22 1HB ALA 22 -11.985 9.344 -5.361 183 2HB ALA 22 2HB ALA 22 -12.327 8.575 -3.812 184 3HB ALA 22 3HB ALA 22 -12.963 7.879 -5.301 185 H ASP 23 H ASP 23 -8.614 7.541 -6.129 186 HA ASP 23 HA ASP 23 -9.683 6.690 -8.746 187 1HB ASP 23 2HB ASP 23 -8.936 9.227 -8.443 188 2HB ASP 23 1HB ASP 23 -7.329 8.537 -8.603 189 H ILE 24 H ILE 24 -6.681 7.372 -7.068 190 HA ILE 24 HA ILE 24 -5.785 4.615 -7.220 191 HB ILE 24 HB ILE 24 -3.418 5.766 -7.785 192 1HG1 ILE 24 2HG1 ILE 24 -3.787 7.327 -9.743 193 2HG1 ILE 24 1HG1 ILE 24 -5.475 7.436 -9.267 194 1HG2 ILE 24 1HG2 ILE 24 -3.655 4.902 -10.042 195 2HG2 ILE 24 2HG2 ILE 24 -5.412 4.946 -9.904 196 3HG2 ILE 24 3HG2 ILE 24 -4.478 3.831 -8.907 197 1HD1 ILE 24 1HD1 ILE 24 -4.219 9.355 -8.502 198 2HD1 ILE 24 2HD1 ILE 24 -3.111 8.302 -7.622 199 3HD1 ILE 24 3HD1 ILE 24 -4.802 8.409 -7.131 200 H GLU 25 H GLU 25 -3.768 4.446 -5.856 201 HA GLU 25 HA GLU 25 -3.433 4.185 -3.645 202 1HB GLU 25 2HB GLU 25 -3.089 6.737 -3.825 203 2HB GLU 25 1HB GLU 25 -4.702 6.856 -3.127 204 1HG GLU 25 2HG GLU 25 -3.997 5.759 -1.127 205 2HG GLU 25 1HG GLU 25 -2.429 5.361 -1.841 206 H LYS 26 H LYS 26 -4.911 2.640 -4.049 207 HA LYS 26 HA LYS 26 -7.384 2.775 -2.568 208 1HB LYS 26 2HB LYS 26 -8.626 1.743 -4.530 209 2HB LYS 26 1HB LYS 26 -8.214 3.441 -4.718 210 1HG LYS 26 2HG LYS 26 -6.371 2.887 -6.164 211 2HG LYS 26 1HG LYS 26 -6.626 1.164 -5.886 212 1HD LYS 26 2HD LYS 26 -8.837 1.335 -6.940 213 2HD LYS 26 1HD LYS 26 -8.552 3.051 -7.239 214 1HE LYS 26 2HE LYS 26 -8.099 1.728 -9.238 215 2HE LYS 26 1HE LYS 26 -6.633 2.499 -8.639 216 1HZ LYS 26 1HZ LYS 26 -6.152 0.248 -9.259 217 2HZ LYS 26 2HZ LYS 26 -7.402 -0.351 -8.286 218 3HZ LYS 26 3HZ LYS 26 -6.046 0.365 -7.572 219 H ALA 27 H ALA 27 -6.495 1.302 -1.191 220 HA ALA 27 HA ALA 27 -5.231 -1.101 -2.185 221 1HB ALA 27 1HB ALA 27 -4.249 0.004 -0.287 222 2HB ALA 27 2HB ALA 27 -4.841 -1.582 0.200 223 3HB ALA 27 3HB ALA 27 -5.754 -0.131 0.618 224 H SER 28 H SER 28 -6.865 -2.196 -3.158 225 HA SER 28 HA SER 28 -9.209 -2.916 -1.558 226 1HB SER 28 2HB SER 28 -8.575 -3.189 -4.484 227 2HB SER 28 1HB SER 28 -10.102 -3.670 -3.745 228 HG SER 28 HG SER 28 -10.715 -1.636 -3.694 229 H ILE 29 H ILE 29 -7.447 -4.370 -0.427 230 HA ILE 29 HA ILE 29 -8.538 -6.918 -1.069 231 HB ILE 29 HB ILE 29 -6.514 -6.985 -2.493 232 1HG1 ILE 29 2HG1 ILE 29 -6.380 -8.840 -0.104 233 2HG1 ILE 29 1HG1 ILE 29 -7.424 -9.057 -1.505 234 1HG2 ILE 29 1HG2 ILE 29 -5.026 -6.699 0.106 235 2HG2 ILE 29 2HG2 ILE 29 -5.078 -5.520 -1.207 236 3HG2 ILE 29 3HG2 ILE 29 -4.300 -7.085 -1.454 237 1HD1 ILE 29 1HD1 ILE 29 -4.416 -9.076 -1.526 238 2HD1 ILE 29 2HD1 ILE 29 -5.460 -9.295 -2.930 239 3HD1 ILE 29 3HD1 ILE 29 -5.470 -10.487 -1.630 240 H MET 30 H MET 30 -8.535 -8.271 0.800 241 HA MET 30 HA MET 30 -6.747 -7.521 2.946 242 1HB MET 30 2HB MET 30 -8.731 -6.199 3.465 243 2HB MET 30 1HB MET 30 -9.738 -7.644 3.389 244 1HG MET 30 2HG MET 30 -9.248 -6.972 5.689 245 2HG MET 30 1HG MET 30 -8.604 -8.569 5.317 246 1HE MET 30 1HE MET 30 -7.154 -5.100 4.205 247 2HE MET 30 2HE MET 30 -5.987 -4.767 5.483 248 3HE MET 30 3HE MET 30 -7.716 -4.756 5.840 249 H TYR 31 H TYR 31 -5.851 -9.429 2.095 250 HA TYR 31 HA TYR 31 -6.747 -11.773 3.536 251 1HB TYR 31 2HB TYR 31 -7.729 -11.618 1.045 252 2HB TYR 31 1HB TYR 31 -6.124 -12.222 0.640 253 HD1 TYR 31 1HD TYR 31 -5.572 -14.503 0.955 254 HD2 TYR 31 2HD TYR 31 -9.193 -12.964 2.561 255 HE1 TYR 31 1HE TYR 31 -6.306 -16.797 1.474 256 HE2 TYR 31 2HE TYR 31 -9.942 -15.248 3.086 257 HH TYR 31 HH TYR 31 -9.528 -17.533 2.402 258 HA PRO 32 HA PRO 32 -2.267 -12.307 3.720 259 1HB PRO 32 2HB PRO 32 -2.185 -15.054 3.802 260 2HB PRO 32 1HB PRO 32 -2.457 -14.016 5.203 261 1HG PRO 32 2HG PRO 32 -4.430 -15.512 3.539 262 2HG PRO 32 1HG PRO 32 -4.389 -15.271 5.297 263 1HD PRO 32 2HD PRO 32 -6.041 -13.859 3.695 264 2HD PRO 32 1HD PRO 32 -5.308 -13.153 5.147 265 H SER 33 H SER 33 -2.910 -11.648 1.210 266 HA SER 33 HA SER 33 -2.574 -11.927 -1.027 267 1HB SER 33 2HB SER 33 -0.071 -12.912 0.294 268 2HB SER 33 1HB SER 33 -0.224 -13.042 -1.460 269 HG SER 33 HG SER 33 0.249 -10.859 0.071 270 H ASN 34 H ASN 34 -3.907 -14.230 0.386 271 HA ASN 34 HA ASN 34 -4.595 -16.347 0.082 272 1HB ASN 34 2HB ASN 34 -4.145 -15.611 -2.822 273 2HB ASN 34 1HB ASN 34 -5.063 -17.007 -2.274 274 1HD2 ASN 34 1HD2 ASN 34 -5.045 -13.596 -2.744 275 2HD2 ASN 34 2HD2 ASN 34 -6.709 -13.314 -2.327 276 H ASN 35 H ASN 35 -1.689 -16.014 0.512 277 HA ASN 35 HA ASN 35 -0.919 -18.715 -0.196 278 1HB ASN 35 2HB ASN 35 -0.447 -17.113 -2.247 279 2HB ASN 35 1HB ASN 35 0.921 -16.595 -1.269 280 1HD2 ASN 35 1HD2 ASN 35 1.152 -17.798 -3.769 281 2HD2 ASN 35 2HD2 ASN 35 1.921 -19.336 -3.572 282 H CYS 36 H CYS 36 -1.255 -16.692 2.004 283 HA CYS 36 HA CYS 36 1.500 -16.661 3.065 284 1HB CYS 36 2HB CYS 36 -0.403 -14.330 2.846 285 2HB CYS 36 1HB CYS 36 1.177 -14.263 3.657 286 H ASP 37 H ASP 37 1.504 -15.759 5.338 287 HA ASP 37 HA ASP 37 -0.935 -16.568 6.803 288 1HB ASP 37 2HB ASP 37 1.869 -16.146 7.870 289 2HB ASP 37 1HB ASP 37 0.469 -16.669 8.801 290 H LYS 38 H LYS 38 0.351 -13.982 5.421 291 HA LYS 38 HA LYS 38 -0.358 -12.182 7.618 292 1HB LYS 38 2HB LYS 38 1.423 -10.704 7.049 293 2HB LYS 38 1HB LYS 38 2.104 -12.298 7.260 294 1HG LYS 38 2HG LYS 38 2.101 -12.562 4.792 295 2HG LYS 38 1HG LYS 38 1.530 -10.891 4.679 296 1HD LYS 38 2HD LYS 38 4.107 -11.749 6.009 297 2HD LYS 38 1HD LYS 38 3.989 -11.108 4.369 298 1HE LYS 38 2HE LYS 38 2.965 -9.597 6.756 299 2HE LYS 38 1HE LYS 38 4.639 -9.479 6.223 300 1HZ LYS 38 1HZ LYS 38 3.122 -7.727 5.342 301 2HZ LYS 38 2HZ LYS 38 2.321 -8.924 4.448 302 3HZ LYS 38 3HZ LYS 38 3.959 -8.595 4.155 303 H ILE 39 H ILE 39 -1.409 -10.361 7.045 304 HA ILE 39 HA ILE 39 -2.982 -10.792 4.638 305 HB ILE 39 HB ILE 39 -4.665 -9.321 5.666 306 1HG1 ILE 39 2HG1 ILE 39 -2.798 -9.268 8.056 307 2HG1 ILE 39 1HG1 ILE 39 -3.091 -7.903 6.984 308 1HG2 ILE 39 1HG2 ILE 39 -5.292 -10.841 7.500 309 2HG2 ILE 39 2HG2 ILE 39 -3.682 -11.559 7.431 310 3HG2 ILE 39 3HG2 ILE 39 -4.773 -11.703 6.055 311 1HD1 ILE 39 1HD1 ILE 39 -5.453 -7.922 7.653 312 2HD1 ILE 39 2HD1 ILE 39 -4.363 -7.667 9.016 313 3HD1 ILE 39 3HD1 ILE 39 -5.110 -9.247 8.765 314 H GLU 40 H GLU 40 -2.736 -9.589 2.915 315 HA GLU 40 HA GLU 40 -1.046 -7.209 3.163 316 1HB GLU 40 2HB GLU 40 -1.640 -8.743 0.639 317 2HB GLU 40 1HB GLU 40 -0.334 -7.604 0.929 318 1HG GLU 40 2HG GLU 40 -0.611 -10.278 2.280 319 2HG GLU 40 1HG GLU 40 0.399 -9.958 0.874 320 H VAL 41 H VAL 41 -1.501 -5.375 1.895 321 HA VAL 41 HA VAL 41 -4.209 -5.191 0.774 322 HB VAL 41 HB VAL 41 -3.526 -3.946 3.117 323 1HG1 VAL 41 1HG1 VAL 41 -1.874 -2.495 2.095 324 2HG1 VAL 41 2HG1 VAL 41 -3.247 -1.555 2.682 325 3HG1 VAL 41 3HG1 VAL 41 -3.082 -1.892 0.959 326 1HG2 VAL 41 1HG2 VAL 41 -5.483 -2.510 2.754 327 2HG2 VAL 41 2HG2 VAL 41 -5.780 -4.189 2.288 328 3HG2 VAL 41 3HG2 VAL 41 -5.481 -2.965 1.049 329 H ILE 42 H ILE 42 -4.259 -4.080 -1.270 330 HA ILE 42 HA ILE 42 -1.530 -3.423 -2.169 331 HB ILE 42 HB ILE 42 -3.726 -4.473 -3.950 332 1HG1 ILE 42 2HG1 ILE 42 -3.022 -6.218 -2.347 333 2HG1 ILE 42 1HG1 ILE 42 -2.489 -6.597 -3.980 334 1HG2 ILE 42 1HG2 ILE 42 -0.804 -3.856 -4.321 335 2HG2 ILE 42 2HG2 ILE 42 -2.185 -3.174 -5.192 336 3HG2 ILE 42 3HG2 ILE 42 -1.718 -4.855 -5.456 337 1HD1 ILE 42 1HD1 ILE 42 -0.245 -5.803 -3.423 338 2HD1 ILE 42 2HD1 ILE 42 -0.765 -7.112 -2.365 339 3HD1 ILE 42 3HD1 ILE 42 -0.785 -5.449 -1.783 340 H ILE 43 H ILE 43 -1.416 -1.323 -2.105 341 HA ILE 43 HA ILE 43 -3.591 0.262 -3.282 342 HB ILE 43 HB ILE 43 -1.344 1.789 -2.243 343 1HG1 ILE 43 2HG1 ILE 43 -3.020 0.376 -0.164 344 2HG1 ILE 43 1HG1 ILE 43 -1.399 -0.157 -0.608 345 1HG2 ILE 43 1HG2 ILE 43 -3.110 3.126 -1.306 346 2HG2 ILE 43 2HG2 ILE 43 -4.281 1.842 -1.605 347 3HG2 ILE 43 3HG2 ILE 43 -3.523 2.678 -2.972 348 1HD1 ILE 43 1HD1 ILE 43 -1.252 1.196 1.361 349 2HD1 ILE 43 2HD1 ILE 43 -2.169 2.492 0.593 350 3HD1 ILE 43 3HD1 ILE 43 -0.545 2.098 0.009 351 H THR 44 H THR 44 -3.006 1.943 -4.675 352 HA THR 44 HA THR 44 -0.291 1.845 -5.784 353 HB THR 44 HB THR 44 -1.109 2.816 -7.810 354 HG1 THR 44 1HG THR 44 -2.865 3.948 -7.719 355 1HG2 THR 44 1HG2 THR 44 -2.632 1.055 -8.651 356 2HG2 THR 44 2HG2 THR 44 -2.866 0.500 -6.994 357 3HG2 THR 44 3HG2 THR 44 -1.274 0.395 -7.742 358 H LEU 45 H LEU 45 0.467 4.092 -6.361 359 HA LEU 45 HA LEU 45 -1.320 6.198 -5.544 360 1HB LEU 45 2HB LEU 45 0.184 7.493 -4.278 361 2HB LEU 45 1HB LEU 45 0.324 5.880 -3.620 362 HG LEU 45 HG LEU 45 2.323 6.400 -5.675 363 1HD1 LEU 45 1HD1 LEU 45 3.644 7.984 -4.369 364 2HD1 LEU 45 2HD1 LEU 45 2.320 8.141 -3.213 365 3HD1 LEU 45 3HD1 LEU 45 2.109 8.693 -4.875 366 1HD2 LEU 45 1HD2 LEU 45 2.424 4.526 -4.142 367 2HD2 LEU 45 2HD2 LEU 45 2.468 5.628 -2.766 368 3HD2 LEU 45 3HD2 LEU 45 3.813 5.586 -3.908 369 H LYS 46 H LYS 46 -1.687 6.850 -7.590 370 HA LYS 46 HA LYS 46 0.481 6.241 -9.419 371 1HB LYS 46 2HB LYS 46 -1.891 5.469 -9.808 372 2HB LYS 46 1HB LYS 46 -2.278 7.133 -10.222 373 1HG LYS 46 2HG LYS 46 -1.850 5.693 -12.187 374 2HG LYS 46 1HG LYS 46 -0.764 7.081 -12.085 375 1HD LYS 46 2HD LYS 46 1.005 5.695 -11.214 376 2HD LYS 46 1HD LYS 46 -0.078 4.306 -11.114 377 1HE LYS 46 2HE LYS 46 0.497 5.690 -13.716 378 2HE LYS 46 1HE LYS 46 1.534 4.408 -13.091 379 1HZ LYS 46 1HZ LYS 46 -1.383 4.136 -13.606 380 2HZ LYS 46 2HZ LYS 46 -0.326 2.906 -13.098 381 3HZ LYS 46 3HZ LYS 46 -0.154 3.587 -14.642 382 H GLU 47 H GLU 47 1.919 7.688 -9.490 383 HA GLU 47 HA GLU 47 1.684 10.005 -11.021 384 1HB GLU 47 2HB GLU 47 0.547 10.898 -8.979 385 2HB GLU 47 1HB GLU 47 1.994 10.537 -8.047 386 1HG GLU 47 2HG GLU 47 1.858 12.894 -8.635 387 2HG GLU 47 1HG GLU 47 3.265 12.122 -9.366 388 H ASN 48 H ASN 48 3.453 9.332 -8.031 389 HA ASN 48 HA ASN 48 5.985 9.328 -9.473 390 1HB ASN 48 2HB ASN 48 5.401 9.035 -6.516 391 2HB ASN 48 1HB ASN 48 7.003 9.171 -7.225 392 1HD2 ASN 48 1HD2 ASN 48 6.303 11.192 -9.148 393 2HD2 ASN 48 2HD2 ASN 48 6.044 12.656 -8.257 394 H LYS 49 H LYS 49 3.675 7.163 -8.124 395 HA LYS 49 HA LYS 49 5.501 4.892 -8.492 396 1HB LYS 49 2HB LYS 49 3.604 5.346 -6.205 397 2HB LYS 49 1HB LYS 49 4.435 3.830 -6.516 398 1HG LYS 49 2HG LYS 49 5.778 6.454 -5.991 399 2HG LYS 49 1HG LYS 49 5.517 5.187 -4.791 400 1HD LYS 49 2HD LYS 49 6.779 3.631 -6.301 401 2HD LYS 49 1HD LYS 49 7.198 5.037 -7.281 402 1HE LYS 49 2HE LYS 49 8.254 6.062 -5.308 403 2HE LYS 49 1HE LYS 49 7.881 4.611 -4.377 404 1HZ LYS 49 1HZ LYS 49 9.215 3.350 -6.036 405 2HZ LYS 49 2HZ LYS 49 10.114 4.450 -5.113 406 3HZ LYS 49 3HZ LYS 49 9.693 4.829 -6.714 407 H GLY 50 H GLY 50 4.103 2.796 -8.162 408 1HA GLY 50 2HA GLY 50 1.476 3.113 -9.441 409 2HA GLY 50 1HA GLY 50 2.638 1.958 -10.083 410 H GLN 51 H GLN 51 3.293 1.875 -6.912 411 HA GLN 51 HA GLN 51 1.069 0.184 -6.109 412 1HB GLN 51 2HB GLN 51 2.575 -1.656 -5.426 413 2HB GLN 51 1HB GLN 51 2.498 -1.434 -7.170 414 1HG GLN 51 2HG GLN 51 4.635 -0.219 -7.086 415 2HG GLN 51 1HG GLN 51 4.703 -0.490 -5.346 416 1HE2 GLN 51 1HE2 GLN 51 3.566 -3.188 -5.601 417 2HE2 GLN 51 2HE2 GLN 51 4.845 -4.184 -6.212 418 H ARG 52 H ARG 52 0.804 -0.122 -3.998 419 HA ARG 52 HA ARG 52 2.787 0.920 -2.134 420 1HB ARG 52 2HB ARG 52 -0.175 1.499 -1.998 421 2HB ARG 52 1HB ARG 52 0.987 1.884 -0.745 422 1HG ARG 52 2HG ARG 52 2.114 3.356 -2.416 423 2HG ARG 52 1HG ARG 52 0.727 3.099 -3.464 424 1HD ARG 52 2HD ARG 52 0.399 5.150 -2.261 425 2HD ARG 52 1HD ARG 52 -0.730 3.951 -1.638 426 HE ARG 52 HE ARG 52 1.230 3.687 0.116 427 1HH1 ARG 52 1HH1 ARG 52 -0.161 6.623 -1.215 428 2HH1 ARG 52 2HH1 ARG 52 0.159 7.563 0.206 429 1HH2 ARG 52 1HH2 ARG 52 1.645 4.968 2.013 430 2HH2 ARG 52 2HH2 ARG 52 1.189 6.638 2.007 431 H CYS 53 H CYS 53 3.172 -0.515 -0.560 432 HA CYS 53 HA CYS 53 0.966 -2.268 0.248 433 1HB CYS 53 2HB CYS 53 2.709 -3.556 -1.015 434 2HB CYS 53 1HB CYS 53 3.889 -3.077 0.201 435 H LEU 54 H LEU 54 0.560 -2.095 2.444 436 HA LEU 54 HA LEU 54 2.591 -0.655 4.006 437 1HB LEU 54 2HB LEU 54 -0.319 0.041 3.733 438 2HB LEU 54 1HB LEU 54 0.684 0.653 5.033 439 HG LEU 54 HG LEU 54 1.072 1.161 2.085 440 1HD1 LEU 54 1HD1 LEU 54 -0.789 2.377 3.103 441 2HD1 LEU 54 2HD1 LEU 54 0.535 3.457 2.662 442 3HD1 LEU 54 3HD1 LEU 54 0.299 2.991 4.348 443 1HD2 LEU 54 1HD2 LEU 54 2.895 2.623 2.752 444 2HD2 LEU 54 2HD2 LEU 54 3.213 0.966 3.268 445 3HD2 LEU 54 3HD2 LEU 54 2.667 2.166 4.441 446 H ASN 55 H ASN 55 1.987 -3.463 4.141 447 HA ASN 55 HA ASN 55 1.606 -3.438 7.018 448 1HB ASN 55 2HB ASN 55 -0.647 -3.976 6.022 449 2HB ASN 55 1HB ASN 55 0.071 -5.450 5.375 450 1HD2 ASN 55 1HD2 ASN 55 -1.231 -6.808 6.601 451 2HD2 ASN 55 2HD2 ASN 55 -1.042 -6.965 8.314 452 HA PRO 56 HA PRO 56 4.933 -6.419 5.922 453 1HB PRO 56 2HB PRO 56 6.952 -5.165 7.184 454 2HB PRO 56 1HB PRO 56 6.505 -4.759 5.522 455 1HG PRO 56 2HG PRO 56 5.846 -3.332 8.065 456 2HG PRO 56 1HG PRO 56 6.319 -2.662 6.494 457 1HD PRO 56 2HD PRO 56 3.727 -2.802 7.398 458 2HD PRO 56 1HD PRO 56 4.183 -2.749 5.684 459 H LYS 57 H LYS 57 3.767 -4.683 8.654 460 HA LYS 57 HA LYS 57 3.363 -6.807 10.360 461 1HB LYS 57 2HB LYS 57 5.867 -6.954 10.411 462 2HB LYS 57 1HB LYS 57 5.912 -5.327 11.074 463 1HG LYS 57 2HG LYS 57 6.191 -6.938 12.839 464 2HG LYS 57 1HG LYS 57 4.645 -6.113 13.033 465 1HD LYS 57 2HD LYS 57 4.424 -8.511 13.443 466 2HD LYS 57 1HD LYS 57 3.495 -8.020 12.024 467 1HE LYS 57 2HE LYS 57 5.171 -8.884 10.551 468 2HE LYS 57 1HE LYS 57 6.266 -9.195 11.896 469 1HZ LYS 57 1HZ LYS 57 5.198 -11.218 11.143 470 2HZ LYS 57 2HZ LYS 57 3.663 -10.560 11.430 471 3HZ LYS 57 3HZ LYS 57 4.715 -10.851 12.727 472 H SER 58 H SER 58 4.401 -3.456 10.129 473 HA SER 58 HA SER 58 2.774 -2.675 12.395 474 1HB SER 58 2HB SER 58 5.031 -1.666 11.988 475 2HB SER 58 1HB SER 58 4.393 -0.935 10.516 476 HG SER 58 HG SER 58 3.760 -0.383 13.207 477 H LYS 59 H LYS 59 1.076 -1.163 12.244 478 HA LYS 59 HA LYS 59 -0.536 -1.601 9.887 479 1HB LYS 59 2HB LYS 59 -2.297 -0.413 11.266 480 2HB LYS 59 1HB LYS 59 -1.694 -1.935 11.912 481 1HG LYS 59 2HG LYS 59 -0.201 -0.664 13.417 482 2HG LYS 59 1HG LYS 59 -0.907 0.834 12.808 483 1HD LYS 59 2HD LYS 59 -3.084 0.180 13.641 484 2HD LYS 59 1HD LYS 59 -2.441 -1.376 14.170 485 1HE LYS 59 2HE LYS 59 -0.918 -0.190 15.701 486 2HE LYS 59 1HE LYS 59 -1.644 1.340 15.209 487 1HZ LYS 59 1HZ LYS 59 -3.054 -0.912 16.539 488 2HZ LYS 59 2HZ LYS 59 -3.776 0.543 16.049 489 3HZ LYS 59 3HZ LYS 59 -2.599 0.549 17.271 490 H GLN 60 H GLN 60 -0.017 -0.335 8.240 491 HA GLN 60 HA GLN 60 -0.109 2.589 8.654 492 1HB GLN 60 2HB GLN 60 1.471 1.071 6.566 493 2HB GLN 60 1HB GLN 60 1.376 2.820 6.702 494 1HG GLN 60 2HG GLN 60 2.510 2.759 8.825 495 2HG GLN 60 1HG GLN 60 2.522 0.993 8.800 496 1HE2 GLN 60 1HE2 GLN 60 3.897 -0.077 7.392 497 2HE2 GLN 60 2HE2 GLN 60 5.236 0.706 6.624 498 H ALA 61 H ALA 61 -1.048 -0.188 6.792 499 HA ALA 61 HA ALA 61 -2.443 1.147 4.722 500 1HB ALA 61 1HB ALA 61 -2.880 -1.617 5.851 501 2HB ALA 61 2HB ALA 61 -1.744 -1.201 4.569 502 3HB ALA 61 3HB ALA 61 -3.479 -1.021 4.304 503 H ARG 62 H ARG 62 -3.119 0.495 8.015 504 HA ARG 62 HA ARG 62 -5.913 0.449 8.019 505 1HB ARG 62 2HB ARG 62 -3.931 1.398 10.092 506 2HB ARG 62 1HB ARG 62 -5.652 1.282 10.396 507 1HG ARG 62 2HG ARG 62 -3.921 -1.032 9.573 508 2HG ARG 62 1HG ARG 62 -4.343 -0.638 11.241 509 1HD ARG 62 2HD ARG 62 -6.715 -0.903 10.698 510 2HD ARG 62 1HD ARG 62 -6.288 -1.302 9.034 511 HE ARG 62 HE ARG 62 -5.005 -3.006 10.962 512 1HH1 ARG 62 1HH1 ARG 62 -7.985 -2.454 9.208 513 2HH1 ARG 62 2HH1 ARG 62 -8.450 -4.131 9.208 514 1HH2 ARG 62 1HH2 ARG 62 -5.629 -5.205 11.011 515 2HH2 ARG 62 2HH2 ARG 62 -7.112 -5.701 10.251 516 H LEU 63 H LEU 63 -3.606 3.072 8.067 517 HA LEU 63 HA LEU 63 -5.349 5.235 8.401 518 1HB LEU 63 2HB LEU 63 -2.953 5.445 8.640 519 2HB LEU 63 1HB LEU 63 -2.716 5.004 6.961 520 HG LEU 63 HG LEU 63 -3.893 7.103 6.306 521 1HD1 LEU 63 1HD1 LEU 63 -5.171 7.420 8.374 522 2HD1 LEU 63 2HD1 LEU 63 -4.205 8.842 7.974 523 3HD1 LEU 63 3HD1 LEU 63 -3.669 7.741 9.243 524 1HD2 LEU 63 1HD2 LEU 63 -1.442 7.369 8.040 525 2HD2 LEU 63 2HD2 LEU 63 -1.997 8.566 6.870 526 3HD2 LEU 63 3HD2 LEU 63 -1.473 6.973 6.323 527 H ILE 64 H ILE 64 -4.443 3.425 5.562 528 HA ILE 64 HA ILE 64 -5.807 5.347 3.890 529 HB ILE 64 HB ILE 64 -4.159 2.899 3.208 530 1HG1 ILE 64 2HG1 ILE 64 -3.662 5.876 3.063 531 2HG1 ILE 64 1HG1 ILE 64 -2.818 4.696 4.057 532 1HG2 ILE 64 1HG2 ILE 64 -4.253 3.607 0.866 533 2HG2 ILE 64 2HG2 ILE 64 -5.365 4.907 1.294 534 3HG2 ILE 64 3HG2 ILE 64 -5.863 3.225 1.475 535 1HD1 ILE 64 1HD1 ILE 64 -2.724 4.837 1.055 536 2HD1 ILE 64 2HD1 ILE 64 -1.836 3.706 2.079 537 3HD1 ILE 64 3HD1 ILE 64 -1.482 5.433 2.156 538 H ILE 65 H ILE 65 -6.710 2.782 5.687 539 HA ILE 65 HA ILE 65 -8.487 1.372 4.026 540 HB ILE 65 HB ILE 65 -8.456 1.815 7.005 541 1HG1 ILE 65 2HG1 ILE 65 -6.738 0.326 6.128 542 2HG1 ILE 65 1HG1 ILE 65 -7.925 -0.596 7.045 543 1HG2 ILE 65 1HG2 ILE 65 -10.786 1.631 6.301 544 2HG2 ILE 65 2HG2 ILE 65 -10.278 0.209 7.217 545 3HG2 ILE 65 3HG2 ILE 65 -10.414 0.126 5.460 546 1HD1 ILE 65 1HD1 ILE 65 -8.977 -1.308 4.955 547 2HD1 ILE 65 2HD1 ILE 65 -7.278 -1.776 5.032 548 3HD1 ILE 65 3HD1 ILE 65 -7.771 -0.399 4.045 549 H LYS 66 H LYS 66 -8.833 4.261 6.007 550 HA LYS 66 HA LYS 66 -11.586 4.622 5.464 551 1HB LYS 66 2HB LYS 66 -9.443 6.505 6.435 552 2HB LYS 66 1HB LYS 66 -11.107 7.018 6.201 553 1HG LYS 66 2HG LYS 66 -11.849 5.348 7.825 554 2HG LYS 66 1HG LYS 66 -10.174 4.843 8.060 555 1HD LYS 66 2HD LYS 66 -11.110 7.667 8.506 556 2HD LYS 66 1HD LYS 66 -11.111 6.448 9.781 557 1HE LYS 66 2HE LYS 66 -8.664 7.194 8.188 558 2HE LYS 66 1HE LYS 66 -9.093 7.951 9.724 559 1HZ LYS 66 1HZ LYS 66 -8.565 5.054 9.304 560 2HZ LYS 66 2HZ LYS 66 -8.997 5.771 10.774 561 3HZ LYS 66 3HZ LYS 66 -7.516 6.155 10.052 562 H LYS 67 H LYS 67 -9.012 4.763 3.411 563 HA LYS 67 HA LYS 67 -10.119 6.931 1.800 564 1HB LYS 67 2HB LYS 67 -7.638 5.265 1.341 565 2HB LYS 67 1HB LYS 67 -8.184 6.574 0.291 566 1HG LYS 67 2HG LYS 67 -7.885 8.172 2.096 567 2HG LYS 67 1HG LYS 67 -7.390 6.875 3.187 568 1HD LYS 67 2HD LYS 67 -5.446 6.422 1.816 569 2HD LYS 67 1HD LYS 67 -5.968 7.625 0.634 570 1HE LYS 67 2HE LYS 67 -5.694 9.394 2.261 571 2HE LYS 67 1HE LYS 67 -5.288 8.222 3.512 572 1HZ LYS 67 1HZ LYS 67 -3.699 8.629 1.030 573 2HZ LYS 67 2HZ LYS 67 -3.285 7.673 2.361 574 3HZ LYS 67 3HZ LYS 67 -3.339 9.355 2.526 575 H VAL 68 H VAL 68 -9.272 3.525 1.549 576 HA VAL 68 HA VAL 68 -10.588 3.111 -0.941 577 HB VAL 68 HB VAL 68 -10.152 0.877 1.005 578 1HG1 VAL 68 1HG1 VAL 68 -9.791 1.124 -1.975 579 2HG1 VAL 68 2HG1 VAL 68 -11.147 0.362 -1.144 580 3HG1 VAL 68 3HG1 VAL 68 -9.534 -0.342 -1.029 581 1HG2 VAL 68 1HG2 VAL 68 -7.789 0.745 0.272 582 2HG2 VAL 68 2HG2 VAL 68 -8.142 2.163 1.259 583 3HG2 VAL 68 3HG2 VAL 68 -7.979 2.326 -0.489 584 H GLU 69 H GLU 69 -11.573 3.278 2.346 585 HA GLU 69 HA GLU 69 -13.958 1.748 2.165 586 1HB GLU 69 2HB GLU 69 -12.668 2.603 4.246 587 2HB GLU 69 1HB GLU 69 -13.585 4.088 4.015 588 1HG GLU 69 2HG GLU 69 -14.790 2.829 5.580 589 2HG GLU 69 1HG GLU 69 -15.648 2.662 4.049 590 H ARG 70 H ARG 70 -13.043 4.917 1.214 591 HA ARG 70 HA ARG 70 -15.684 6.024 1.040 592 1HB ARG 70 2HB ARG 70 -13.651 7.386 1.423 593 2HB ARG 70 1HB ARG 70 -13.079 6.954 -0.181 594 1HG ARG 70 2HG ARG 70 -15.017 8.089 -1.164 595 2HG ARG 70 1HG ARG 70 -15.554 8.543 0.458 596 1HD ARG 70 2HD ARG 70 -13.454 9.760 0.799 597 2HD ARG 70 1HD ARG 70 -12.942 9.325 -0.831 598 HE ARG 70 HE ARG 70 -15.301 10.569 -1.261 599 1HH1 ARG 70 1HH1 ARG 70 -12.452 11.433 0.589 600 2HH1 ARG 70 2HH1 ARG 70 -12.635 13.142 0.325 601 1HH2 ARG 70 1HH2 ARG 70 -15.554 12.827 -1.601 602 2HH2 ARG 70 2HH2 ARG 70 -14.420 13.931 -0.875 603 H LYS 71 H LYS 71 -13.651 4.087 -0.931 604 HA LYS 71 HA LYS 71 -14.814 4.708 -3.465 605 1HB LYS 71 2HB LYS 71 -12.549 3.535 -2.900 606 2HB LYS 71 1HB LYS 71 -13.523 2.078 -2.792 607 1HG LYS 71 2HG LYS 71 -14.296 2.488 -5.117 608 2HG LYS 71 1HG LYS 71 -13.161 3.838 -5.205 609 1HD LYS 71 2HD LYS 71 -11.395 2.098 -4.475 610 2HD LYS 71 1HD LYS 71 -12.597 0.904 -4.963 611 1HE LYS 71 2HE LYS 71 -11.354 3.038 -6.689 612 2HE LYS 71 1HE LYS 71 -11.067 1.303 -6.780 613 1HZ LYS 71 1HZ LYS 71 -13.547 2.768 -7.470 614 2HZ LYS 71 2HZ LYS 71 -13.499 1.082 -7.298 615 3HZ LYS 71 3HZ LYS 71 -12.562 1.843 -8.496 616 H ASN 72 H ASN 72 -16.615 3.849 -4.398 617 HA ASN 72 HA ASN 72 -18.373 2.380 -2.609 618 1HB ASN 72 2HB ASN 72 -18.918 3.481 -5.378 619 2HB ASN 72 1HB ASN 72 -20.121 2.822 -4.275 620 1HD2 ASN 72 1HD2 ASN 72 -18.232 5.552 -5.130 621 2HD2 ASN 72 2HD2 ASN 72 -18.857 6.633 -3.933 622 H PHE 73 H PHE 73 -16.663 1.919 -5.632 623 HA PHE 73 HA PHE 73 -17.218 -0.956 -5.415 624 1HB PHE 73 2HB PHE 73 -17.239 0.632 -7.995 625 2HB PHE 73 1HB PHE 73 -17.385 -1.116 -7.876 626 HD1 PHE 73 1HD PHE 73 -19.399 -2.075 -6.704 627 HD2 PHE 73 2HD PHE 73 -19.104 2.023 -7.811 628 HE1 PHE 73 1HE PHE 73 -21.841 -1.853 -6.518 629 HE2 PHE 73 2HE PHE 73 -21.546 2.253 -7.628 630 HZ PHE 73 HZ PHE 73 -22.919 0.312 -6.978 Start of MODEL 8 1 1H PHE 1 1HT PHE 1 0.288 -15.140 -16.962 2 2H PHE 1 2HT PHE 1 1.125 -16.039 -18.126 3 3H PHE 1 3HT PHE 1 -0.495 -15.617 -18.389 4 HA PHE 1 HA PHE 1 0.935 -14.221 -19.703 5 1HB PHE 1 2HB PHE 1 -0.343 -12.810 -17.348 6 2HB PHE 1 1HB PHE 1 0.203 -11.999 -18.811 7 HD1 PHE 1 1HD PHE 1 -2.570 -13.337 -17.202 8 HD2 PHE 1 2HD PHE 1 -0.761 -13.094 -21.047 9 HE1 PHE 1 1HE PHE 1 -4.753 -13.770 -18.253 10 HE2 PHE 1 2HE PHE 1 -2.939 -13.528 -22.104 11 HZ PHE 1 HZ PHE 1 -4.938 -13.865 -20.707 12 HA PRO 2 HA PRO 2 4.949 -13.054 -18.242 13 1HB PRO 2 2HB PRO 2 5.181 -10.508 -19.269 14 2HB PRO 2 1HB PRO 2 5.448 -11.988 -20.199 15 1HG PRO 2 2HG PRO 2 3.022 -10.243 -20.062 16 2HG PRO 2 1HG PRO 2 3.754 -11.039 -21.469 17 1HD PRO 2 2HD PRO 2 1.563 -12.029 -20.277 18 2HD PRO 2 1HD PRO 2 2.811 -13.092 -20.958 19 H MET 3 H MET 3 4.705 -12.916 -16.040 20 HA MET 3 HA MET 3 3.680 -10.397 -14.944 21 1HB MET 3 2HB MET 3 3.781 -11.828 -12.749 22 2HB MET 3 1HB MET 3 2.462 -12.029 -13.888 23 1HG MET 3 2HG MET 3 3.163 -14.183 -13.173 24 2HG MET 3 1HG MET 3 3.656 -13.975 -14.850 25 1HE MET 3 1HE MET 3 5.269 -16.084 -14.630 26 2HE MET 3 2HE MET 3 4.750 -16.281 -12.957 27 3HE MET 3 3HE MET 3 6.469 -16.258 -13.350 28 H PHE 4 H PHE 4 6.515 -12.319 -15.244 29 HA PHE 4 HA PHE 4 8.695 -11.935 -14.788 30 1HB PHE 4 2HB PHE 4 7.844 -9.095 -14.188 31 2HB PHE 4 1HB PHE 4 9.475 -9.647 -14.554 32 HD1 PHE 4 1HD PHE 4 9.692 -10.914 -16.870 33 HD2 PHE 4 2HD PHE 4 6.611 -8.157 -15.873 34 HE1 PHE 4 1HE PHE 4 9.293 -10.498 -19.263 35 HE2 PHE 4 2HE PHE 4 6.206 -7.736 -18.260 36 HZ PHE 4 HZ PHE 4 7.548 -8.908 -19.959 37 H LYS 5 H LYS 5 10.114 -10.658 -12.945 38 HA LYS 5 HA LYS 5 10.797 -10.660 -10.787 39 1HB LYS 5 2HB LYS 5 7.834 -10.579 -10.191 40 2HB LYS 5 1HB LYS 5 9.108 -10.313 -9.009 41 1HG LYS 5 2HG LYS 5 9.850 -8.342 -10.250 42 2HG LYS 5 1HG LYS 5 8.580 -8.617 -11.443 43 1HD LYS 5 2HD LYS 5 6.883 -8.340 -9.702 44 2HD LYS 5 1HD LYS 5 8.152 -8.055 -8.509 45 1HE LYS 5 2HE LYS 5 7.193 -5.949 -9.251 46 2HE LYS 5 1HE LYS 5 8.874 -6.075 -9.764 47 1HZ LYS 5 1HZ LYS 5 8.188 -6.592 -11.976 48 2HZ LYS 5 2HZ LYS 5 7.332 -5.210 -11.492 49 3HZ LYS 5 3HZ LYS 5 6.560 -6.721 -11.513 50 H ARG 6 H ARG 6 9.966 -11.889 -8.502 51 HA ARG 6 HA ARG 6 10.084 -14.717 -9.286 52 1HB ARG 6 2HB ARG 6 12.031 -14.255 -8.087 53 2HB ARG 6 1HB ARG 6 11.206 -13.189 -6.962 54 1HG ARG 6 2HG ARG 6 10.078 -15.144 -5.972 55 2HG ARG 6 1HG ARG 6 10.988 -16.190 -7.064 56 1HD ARG 6 2HD ARG 6 12.466 -14.254 -5.346 57 2HD ARG 6 1HD ARG 6 11.822 -15.724 -4.615 58 HE ARG 6 HE ARG 6 13.154 -16.974 -6.271 59 1HH1 ARG 6 1HH1 ARG 6 13.997 -13.624 -5.694 60 2HH1 ARG 6 2HH1 ARG 6 15.682 -13.854 -6.065 61 1HH2 ARG 6 1HH2 ARG 6 15.372 -17.285 -6.725 62 2HH2 ARG 6 2HH2 ARG 6 16.465 -15.933 -6.639 63 H GLY 7 H GLY 7 8.267 -15.828 -9.029 64 1HA GLY 7 2HA GLY 7 6.972 -17.005 -7.388 65 2HA GLY 7 1HA GLY 7 6.899 -15.528 -6.447 66 H ARG 8 H ARG 8 4.821 -15.138 -6.262 67 HA ARG 8 HA ARG 8 3.154 -15.001 -8.684 68 1HB ARG 8 2HB ARG 8 2.745 -17.117 -7.449 69 2HB ARG 8 1HB ARG 8 2.370 -16.189 -6.010 70 1HG ARG 8 2HG ARG 8 0.297 -16.794 -6.862 71 2HG ARG 8 1HG ARG 8 0.504 -15.126 -7.393 72 1HD ARG 8 2HD ARG 8 1.384 -17.341 -9.179 73 2HD ARG 8 1HD ARG 8 -0.334 -16.982 -9.048 74 HE ARG 8 HE ARG 8 0.680 -14.559 -9.558 75 1HH1 ARG 8 1HH1 ARG 8 1.277 -17.664 -11.062 76 2HH1 ARG 8 2HH1 ARG 8 1.515 -17.006 -12.651 77 1HH2 ARG 8 1HH2 ARG 8 0.992 -13.671 -11.660 78 2HH2 ARG 8 2HH2 ARG 8 1.329 -14.741 -12.986 79 H CYS 9 H CYS 9 2.852 -14.447 -5.185 80 HA CYS 9 HA CYS 9 1.933 -11.711 -5.742 81 1HB CYS 9 2HB CYS 9 1.051 -12.178 -3.218 82 2HB CYS 9 1HB CYS 9 0.101 -12.537 -4.661 83 H LEU 10 H LEU 10 3.830 -10.584 -5.595 84 HA LEU 10 HA LEU 10 5.130 -10.562 -2.978 85 1HB LEU 10 2HB LEU 10 6.427 -12.110 -4.398 86 2HB LEU 10 1HB LEU 10 6.631 -10.838 -5.586 87 HG LEU 10 HG LEU 10 7.900 -9.518 -3.911 88 1HD1 LEU 10 1HD1 LEU 10 6.914 -10.476 -1.892 89 2HD1 LEU 10 2HD1 LEU 10 8.673 -10.602 -1.870 90 3HD1 LEU 10 3HD1 LEU 10 7.693 -12.020 -2.242 91 1HD2 LEU 10 1HD2 LEU 10 9.067 -10.919 -5.530 92 2HD2 LEU 10 2HD2 LEU 10 8.964 -12.291 -4.427 93 3HD2 LEU 10 3HD2 LEU 10 9.927 -10.879 -3.991 94 H CYS 11 H CYS 11 4.816 -8.532 -2.359 95 HA CYS 11 HA CYS 11 5.854 -6.418 -4.077 96 1HB CYS 11 2HB CYS 11 3.947 -4.956 -3.649 97 2HB CYS 11 1HB CYS 11 3.396 -6.436 -4.423 98 H ILE 12 H ILE 12 6.875 -4.790 -2.967 99 HA ILE 12 HA ILE 12 6.484 -4.098 -0.299 100 HB ILE 12 HB ILE 12 7.343 -6.279 0.297 101 1HG1 ILE 12 2HG1 ILE 12 9.436 -4.157 0.814 102 2HG1 ILE 12 1HG1 ILE 12 7.938 -4.342 1.719 103 1HG2 ILE 12 1HG2 ILE 12 8.614 -6.793 -1.701 104 2HG2 ILE 12 2HG2 ILE 12 9.614 -6.999 -0.264 105 3HG2 ILE 12 3HG2 ILE 12 9.812 -5.568 -1.277 106 1HD1 ILE 12 1HD1 ILE 12 10.184 -6.342 1.583 107 2HD1 ILE 12 2HD1 ILE 12 8.676 -6.549 2.473 108 3HD1 ILE 12 3HD1 ILE 12 9.806 -5.277 2.937 109 H GLY 13 H GLY 13 7.171 -2.061 -0.241 110 1HA GLY 13 2HA GLY 13 9.433 -0.832 -0.407 111 2HA GLY 13 1HA GLY 13 9.319 -1.278 -2.084 112 HA PRO 14 HA PRO 14 6.970 2.140 -3.482 113 1HB PRO 14 2HB PRO 14 4.814 0.100 -3.875 114 2HB PRO 14 1HB PRO 14 5.389 1.351 -4.987 115 1HG PRO 14 2HG PRO 14 6.139 -1.186 -5.258 116 2HG PRO 14 1HG PRO 14 7.265 0.148 -5.571 117 1HD PRO 14 2HD PRO 14 7.190 -1.733 -3.282 118 2HD PRO 14 1HD PRO 14 8.558 -0.843 -3.955 119 H GLY 15 H GLY 15 6.452 3.415 -1.830 120 1HA GLY 15 2HA GLY 15 3.750 3.158 -0.807 121 2HA GLY 15 1HA GLY 15 5.012 3.060 0.407 122 H VAL 16 H VAL 16 3.618 4.904 1.088 123 HA VAL 16 HA VAL 16 3.412 7.039 1.699 124 HB VAL 16 HB VAL 16 5.273 8.476 1.820 125 1HG1 VAL 16 1HG1 VAL 16 6.220 5.624 2.043 126 2HG1 VAL 16 2HG1 VAL 16 5.375 6.554 3.281 127 3HG1 VAL 16 3HG1 VAL 16 6.999 7.023 2.782 128 1HG2 VAL 16 1HG2 VAL 16 6.664 6.773 -0.247 129 2HG2 VAL 16 2HG2 VAL 16 7.391 8.114 0.639 130 3HG2 VAL 16 3HG2 VAL 16 6.059 8.412 -0.480 131 H LYS 17 H LYS 17 3.922 9.449 0.823 132 HA LYS 17 HA LYS 17 3.273 11.081 -0.581 133 1HB LYS 17 2HB LYS 17 4.862 10.137 -2.169 134 2HB LYS 17 1HB LYS 17 3.649 8.996 -2.735 135 1HG LYS 17 2HG LYS 17 2.316 10.783 -3.636 136 2HG LYS 17 1HG LYS 17 3.408 11.987 -2.949 137 1HD LYS 17 2HD LYS 17 5.207 11.217 -4.369 138 2HD LYS 17 1HD LYS 17 4.188 9.922 -4.999 139 1HE LYS 17 2HE LYS 17 4.346 11.822 -6.543 140 2HE LYS 17 1HE LYS 17 2.695 11.533 -5.994 141 1HZ LYS 17 1HZ LYS 17 2.922 13.345 -4.426 142 2HZ LYS 17 2HZ LYS 17 3.248 13.885 -5.995 143 3HZ LYS 17 3HZ LYS 17 4.526 13.609 -4.913 144 H ALA 18 H ALA 18 1.286 11.301 0.281 145 HA ALA 18 HA ALA 18 -0.953 9.710 -0.488 146 1HB ALA 18 1HB ALA 18 -0.827 10.807 1.691 147 2HB ALA 18 2HB ALA 18 -2.270 11.296 0.804 148 3HB ALA 18 3HB ALA 18 -0.885 12.383 0.901 149 H VAL 19 H VAL 19 -2.537 10.082 -1.904 150 HA VAL 19 HA VAL 19 -2.509 12.505 -3.559 151 HB VAL 19 HB VAL 19 -2.886 10.951 -5.588 152 1HG1 VAL 19 1HG1 VAL 19 -0.926 12.380 -5.293 153 2HG1 VAL 19 2HG1 VAL 19 -0.486 10.831 -6.013 154 3HG1 VAL 19 3HG1 VAL 19 -0.166 11.133 -4.305 155 1HG2 VAL 19 1HG2 VAL 19 -1.433 9.062 -3.740 156 2HG2 VAL 19 2HG2 VAL 19 -1.762 8.794 -5.452 157 3HG2 VAL 19 3HG2 VAL 19 -3.096 8.873 -4.301 158 H LYS 20 H LYS 20 -4.463 10.940 -5.362 159 HA LYS 20 HA LYS 20 -6.828 11.806 -4.078 160 1HB LYS 20 2HB LYS 20 -6.199 10.266 -6.552 161 2HB LYS 20 1HB LYS 20 -7.843 10.196 -5.935 162 1HG LYS 20 2HG LYS 20 -7.929 11.925 -7.462 163 2HG LYS 20 1HG LYS 20 -7.710 12.772 -5.931 164 1HD LYS 20 2HD LYS 20 -6.265 13.740 -7.598 165 2HD LYS 20 1HD LYS 20 -5.285 12.898 -6.395 166 1HE LYS 20 2HE LYS 20 -4.536 12.509 -8.721 167 2HE LYS 20 1HE LYS 20 -4.978 11.030 -7.875 168 1HZ LYS 20 1HZ LYS 20 -6.812 12.474 -9.712 169 2HZ LYS 20 2HZ LYS 20 -7.026 10.932 -9.050 170 3HZ LYS 20 3HZ LYS 20 -5.811 11.194 -10.197 171 H VAL 21 H VAL 21 -7.469 10.864 -2.239 172 HA VAL 21 HA VAL 21 -6.755 8.150 -1.654 173 HB VAL 21 HB VAL 21 -7.927 8.569 0.534 174 1HG1 VAL 21 1HG1 VAL 21 -6.183 10.067 1.375 175 2HG1 VAL 21 2HG1 VAL 21 -5.766 10.506 -0.281 176 3HG1 VAL 21 3HG1 VAL 21 -5.524 8.852 0.280 177 1HG2 VAL 21 1HG2 VAL 21 -9.498 10.280 -0.198 178 2HG2 VAL 21 2HG2 VAL 21 -8.159 11.366 -0.573 179 3HG2 VAL 21 3HG2 VAL 21 -8.470 10.894 1.098 180 H ALA 22 H ALA 22 -8.450 8.308 -3.805 181 HA ALA 22 HA ALA 22 -10.110 6.123 -3.163 182 1HB ALA 22 1HB ALA 22 -11.603 7.850 -2.256 183 2HB ALA 22 2HB ALA 22 -12.311 7.059 -3.663 184 3HB ALA 22 3HB ALA 22 -11.605 8.667 -3.819 185 H ASP 23 H ASP 23 -8.055 6.946 -4.959 186 HA ASP 23 HA ASP 23 -9.305 6.243 -7.517 187 1HB ASP 23 2HB ASP 23 -8.972 8.778 -7.376 188 2HB ASP 23 1HB ASP 23 -7.258 8.456 -7.225 189 H ILE 24 H ILE 24 -6.255 7.319 -6.256 190 HA ILE 24 HA ILE 24 -4.926 4.745 -6.538 191 HB ILE 24 HB ILE 24 -2.981 6.129 -7.576 192 1HG1 ILE 24 2HG1 ILE 24 -4.003 7.680 -9.390 193 2HG1 ILE 24 1HG1 ILE 24 -5.418 7.741 -8.348 194 1HG2 ILE 24 1HG2 ILE 24 -3.698 5.353 -9.799 195 2HG2 ILE 24 2HG2 ILE 24 -5.342 5.160 -9.190 196 3HG2 ILE 24 3HG2 ILE 24 -4.041 4.160 -8.543 197 1HD1 ILE 24 1HD1 ILE 24 -4.054 8.677 -6.556 198 2HD1 ILE 24 2HD1 ILE 24 -3.997 9.669 -8.013 199 3HD1 ILE 24 3HD1 ILE 24 -2.639 8.621 -7.607 200 H GLU 25 H GLU 25 -2.883 4.822 -5.408 201 HA GLU 25 HA GLU 25 -2.516 4.499 -3.218 202 1HB GLU 25 2HB GLU 25 -1.831 6.857 -3.222 203 2HB GLU 25 1HB GLU 25 -3.504 7.351 -2.998 204 1HG GLU 25 2HG GLU 25 -3.490 5.985 -0.853 205 2HG GLU 25 1HG GLU 25 -1.742 5.900 -1.036 206 H LYS 26 H LYS 26 -4.165 3.045 -3.635 207 HA LYS 26 HA LYS 26 -6.646 3.417 -2.190 208 1HB LYS 26 2HB LYS 26 -7.143 4.141 -4.489 209 2HB LYS 26 1HB LYS 26 -6.468 2.646 -5.119 210 1HG LYS 26 2HG LYS 26 -8.254 1.385 -4.022 211 2HG LYS 26 1HG LYS 26 -8.935 2.893 -3.406 212 1HD LYS 26 2HD LYS 26 -9.316 3.683 -5.663 213 2HD LYS 26 1HD LYS 26 -8.535 2.248 -6.325 214 1HE LYS 26 2HE LYS 26 -10.294 0.852 -5.325 215 2HE LYS 26 1HE LYS 26 -11.080 2.307 -4.709 216 1HZ LYS 26 1HZ LYS 26 -11.503 3.048 -6.916 217 2HZ LYS 26 2HZ LYS 26 -12.026 1.438 -6.821 218 3HZ LYS 26 3HZ LYS 26 -10.560 1.807 -7.589 219 H ALA 27 H ALA 27 -6.092 1.869 -0.774 220 HA ALA 27 HA ALA 27 -4.675 -0.482 -1.616 221 1HB ALA 27 1HB ALA 27 -3.848 0.620 0.294 222 2HB ALA 27 2HB ALA 27 -4.546 -0.906 0.837 223 3HB ALA 27 3HB ALA 27 -5.426 0.606 1.075 224 H SER 28 H SER 28 -5.168 -2.494 -0.783 225 HA SER 28 HA SER 28 -7.950 -3.262 -0.947 226 1HB SER 28 2HB SER 28 -5.598 -5.103 -0.507 227 2HB SER 28 1HB SER 28 -7.176 -5.492 -1.192 228 HG SER 28 HG SER 28 -5.814 -3.521 -2.551 229 H ILE 29 H ILE 29 -8.611 -4.978 0.685 230 HA ILE 29 HA ILE 29 -8.173 -3.964 3.351 231 HB ILE 29 HB ILE 29 -9.617 -6.480 2.489 232 1HG1 ILE 29 2HG1 ILE 29 -10.686 -3.660 2.698 233 2HG1 ILE 29 1HG1 ILE 29 -10.494 -4.600 1.223 234 1HG2 ILE 29 1HG2 ILE 29 -9.283 -6.414 4.861 235 2HG2 ILE 29 2HG2 ILE 29 -10.972 -6.015 4.549 236 3HG2 ILE 29 3HG2 ILE 29 -9.822 -4.737 4.941 237 1HD1 ILE 29 1HD1 ILE 29 -12.362 -5.259 3.485 238 2HD1 ILE 29 2HD1 ILE 29 -12.186 -6.168 1.983 239 3HD1 ILE 29 3HD1 ILE 29 -12.814 -4.520 1.950 240 H MET 30 H MET 30 -7.484 -5.695 5.089 241 HA MET 30 HA MET 30 -4.889 -6.447 4.085 242 1HB MET 30 2HB MET 30 -5.194 -5.245 6.254 243 2HB MET 30 1HB MET 30 -5.948 -6.694 6.903 244 1HG MET 30 2HG MET 30 -3.881 -7.940 6.542 245 2HG MET 30 1HG MET 30 -3.125 -6.496 5.875 246 1HE MET 30 1HE MET 30 -4.624 -8.183 9.084 247 2HE MET 30 2HE MET 30 -5.596 -6.720 8.930 248 3HE MET 30 3HE MET 30 -4.465 -6.893 10.273 249 H TYR 31 H TYR 31 -5.350 -8.085 2.789 250 HA TYR 31 HA TYR 31 -5.695 -10.702 3.994 251 1HB TYR 31 2HB TYR 31 -7.610 -9.450 2.038 252 2HB TYR 31 1HB TYR 31 -7.289 -11.193 1.931 253 HD1 TYR 31 1HD TYR 31 -9.146 -8.606 3.596 254 HD2 TYR 31 2HD TYR 31 -7.681 -12.574 4.046 255 HE1 TYR 31 1HE TYR 31 -10.755 -8.988 5.414 256 HE2 TYR 31 2HE TYR 31 -9.288 -12.969 5.861 257 HH TYR 31 HH TYR 31 -10.562 -11.676 7.495 258 HA PRO 32 HA PRO 32 -2.724 -12.011 0.925 259 1HB PRO 32 2HB PRO 32 -4.819 -13.894 -0.036 260 2HB PRO 32 1HB PRO 32 -3.138 -14.208 0.401 261 1HG PRO 32 2HG PRO 32 -5.191 -14.865 2.007 262 2HG PRO 32 1HG PRO 32 -3.613 -14.367 2.637 263 1HD PRO 32 2HD PRO 32 -6.175 -12.905 2.624 264 2HD PRO 32 1HD PRO 32 -4.774 -12.727 3.686 265 H SER 33 H SER 33 -2.421 -12.119 -1.417 266 HA SER 33 HA SER 33 -4.115 -10.513 -3.031 267 1HB SER 33 2HB SER 33 -1.664 -10.979 -3.430 268 2HB SER 33 1HB SER 33 -2.118 -12.605 -3.946 269 HG SER 33 HG SER 33 -3.066 -10.196 -5.124 270 H ASN 34 H ASN 34 -5.152 -12.875 -1.523 271 HA ASN 34 HA ASN 34 -7.062 -13.990 -1.563 272 1HB ASN 34 2HB ASN 34 -7.708 -12.349 -3.432 273 2HB ASN 34 1HB ASN 34 -7.328 -13.660 -4.545 274 1HD2 ASN 34 1HD2 ASN 34 -9.372 -13.987 -5.277 275 2HD2 ASN 34 2HD2 ASN 34 -10.657 -14.589 -4.284 276 H ASN 35 H ASN 35 -4.318 -14.890 -3.228 277 HA ASN 35 HA ASN 35 -5.178 -17.687 -2.974 278 1HB ASN 35 2HB ASN 35 -5.297 -16.892 -5.419 279 2HB ASN 35 1HB ASN 35 -3.541 -16.786 -5.346 280 1HD2 ASN 35 1HD2 ASN 35 -5.537 -19.197 -3.744 281 2HD2 ASN 35 2HD2 ASN 35 -4.956 -20.547 -4.650 282 H CYS 36 H CYS 36 -3.547 -15.625 -1.586 283 HA CYS 36 HA CYS 36 -0.821 -16.676 -1.986 284 1HB CYS 36 2HB CYS 36 -1.602 -14.139 -2.151 285 2HB CYS 36 1HB CYS 36 -1.327 -14.209 -0.405 286 H ASP 37 H ASP 37 -3.361 -16.333 0.305 287 HA ASP 37 HA ASP 37 -3.632 -16.794 2.490 288 1HB ASP 37 2HB ASP 37 -1.521 -18.780 1.739 289 2HB ASP 37 1HB ASP 37 -2.110 -18.674 3.397 290 H LYS 38 H LYS 38 -1.123 -15.011 1.509 291 HA LYS 38 HA LYS 38 -0.383 -14.472 4.311 292 1HB LYS 38 2HB LYS 38 1.653 -13.510 3.591 293 2HB LYS 38 1HB LYS 38 1.514 -14.993 2.671 294 1HG LYS 38 2HG LYS 38 0.822 -13.772 0.715 295 2HG LYS 38 1HG LYS 38 0.740 -12.278 1.657 296 1HD LYS 38 2HD LYS 38 3.126 -12.314 2.005 297 2HD LYS 38 1HD LYS 38 3.254 -13.879 1.199 298 1HE LYS 38 2HE LYS 38 3.916 -11.946 -0.219 299 2HE LYS 38 1HE LYS 38 2.619 -12.928 -0.898 300 1HZ LYS 38 1HZ LYS 38 2.287 -10.475 -1.063 301 2HZ LYS 38 2HZ LYS 38 2.135 -10.431 0.623 302 3HZ LYS 38 3HZ LYS 38 1.018 -11.305 -0.303 303 H ILE 39 H ILE 39 -0.753 -12.373 5.039 304 HA ILE 39 HA ILE 39 -2.837 -11.098 3.461 305 HB ILE 39 HB ILE 39 -3.263 -9.707 5.479 306 1HG1 ILE 39 2HG1 ILE 39 -1.218 -11.531 6.777 307 2HG1 ILE 39 1HG1 ILE 39 -0.981 -9.818 6.445 308 1HG2 ILE 39 1HG2 ILE 39 -3.331 -12.700 5.759 309 2HG2 ILE 39 2HG2 ILE 39 -4.591 -11.641 5.124 310 3HG2 ILE 39 3HG2 ILE 39 -4.177 -11.592 6.837 311 1HD1 ILE 39 1HD1 ILE 39 -2.786 -9.266 7.984 312 2HD1 ILE 39 2HD1 ILE 39 -1.528 -10.215 8.779 313 3HD1 ILE 39 3HD1 ILE 39 -3.045 -10.979 8.299 314 H GLU 40 H GLU 40 -2.762 -9.132 2.587 315 HA GLU 40 HA GLU 40 -0.369 -7.506 2.883 316 1HB GLU 40 2HB GLU 40 0.007 -7.546 0.418 317 2HB GLU 40 1HB GLU 40 0.314 -9.095 1.194 318 1HG GLU 40 2HG GLU 40 -2.079 -9.692 0.523 319 2HG GLU 40 1HG GLU 40 -1.995 -8.282 -0.533 320 H VAL 41 H VAL 41 -0.570 -5.440 1.782 321 HA VAL 41 HA VAL 41 -3.337 -4.776 1.075 322 HB VAL 41 HB VAL 41 -1.465 -3.395 2.887 323 1HG1 VAL 41 1HG1 VAL 41 -1.406 -1.819 1.005 324 2HG1 VAL 41 2HG1 VAL 41 -2.293 -1.155 2.378 325 3HG1 VAL 41 3HG1 VAL 41 -3.169 -1.785 0.984 326 1HG2 VAL 41 1HG2 VAL 41 -3.530 -2.674 3.906 327 2HG2 VAL 41 2HG2 VAL 41 -3.624 -4.400 3.538 328 3HG2 VAL 41 3HG2 VAL 41 -4.448 -3.225 2.504 329 H ILE 42 H ILE 42 -3.503 -4.570 -1.011 330 HA ILE 42 HA ILE 42 -1.235 -3.662 -2.591 331 HB ILE 42 HB ILE 42 -3.936 -4.613 -3.566 332 1HG1 ILE 42 2HG1 ILE 42 -1.346 -6.163 -3.326 333 2HG1 ILE 42 1HG1 ILE 42 -2.732 -6.349 -2.257 334 1HG2 ILE 42 1HG2 ILE 42 -1.295 -4.230 -4.976 335 2HG2 ILE 42 2HG2 ILE 42 -2.757 -3.265 -5.197 336 3HG2 ILE 42 3HG2 ILE 42 -2.733 -4.957 -5.697 337 1HD1 ILE 42 1HD1 ILE 42 -4.080 -7.092 -4.164 338 2HD1 ILE 42 2HD1 ILE 42 -2.673 -8.121 -3.897 339 3HD1 ILE 42 3HD1 ILE 42 -2.665 -6.941 -5.207 340 H ILE 43 H ILE 43 -1.018 -1.580 -2.777 341 HA ILE 43 HA ILE 43 -3.382 0.144 -3.144 342 HB ILE 43 HB ILE 43 -0.852 1.447 -2.412 343 1HG1 ILE 43 2HG1 ILE 43 -2.310 -0.149 -0.300 344 2HG1 ILE 43 1HG1 ILE 43 -0.737 -0.573 -0.970 345 1HG2 ILE 43 1HG2 ILE 43 -2.956 2.645 -2.628 346 2HG2 ILE 43 2HG2 ILE 43 -2.310 2.774 -0.990 347 3HG2 ILE 43 3HG2 ILE 43 -3.648 1.675 -1.327 348 1HD1 ILE 43 1HD1 ILE 43 -1.448 1.816 0.696 349 2HD1 ILE 43 2HD1 ILE 43 0.078 1.661 -0.174 350 3HD1 ILE 43 3HD1 ILE 43 -0.339 0.502 1.094 351 H THR 44 H THR 44 -2.886 2.031 -4.545 352 HA THR 44 HA THR 44 -0.657 1.548 -6.357 353 HB THR 44 HB THR 44 -2.292 0.381 -7.532 354 HG1 THR 44 1HG THR 44 -2.067 3.080 -8.363 355 1HG2 THR 44 1HG2 THR 44 -4.238 2.605 -6.906 356 2HG2 THR 44 2HG2 THR 44 -4.252 0.980 -6.221 357 3HG2 THR 44 3HG2 THR 44 -4.580 1.213 -7.938 358 H LEU 45 H LEU 45 0.314 3.517 -5.663 359 HA LEU 45 HA LEU 45 -1.322 5.908 -5.853 360 1HB LEU 45 2HB LEU 45 0.159 6.986 -4.519 361 2HB LEU 45 1HB LEU 45 0.528 5.350 -4.027 362 HG LEU 45 HG LEU 45 2.327 5.664 -6.025 363 1HD1 LEU 45 1HD1 LEU 45 1.706 7.963 -6.467 364 2HD1 LEU 45 2HD1 LEU 45 3.326 7.898 -5.771 365 3HD1 LEU 45 3HD1 LEU 45 1.956 8.380 -4.772 366 1HD2 LEU 45 1HD2 LEU 45 3.967 6.061 -4.266 367 2HD2 LEU 45 2HD2 LEU 45 2.775 4.866 -3.757 368 3HD2 LEU 45 3HD2 LEU 45 2.677 6.521 -3.156 369 H LYS 46 H LYS 46 -1.517 6.906 -7.634 370 HA LYS 46 HA LYS 46 0.109 5.905 -9.860 371 1HB LYS 46 2HB LYS 46 -2.368 5.875 -9.959 372 2HB LYS 46 1HB LYS 46 -2.358 7.631 -10.009 373 1HG LYS 46 2HG LYS 46 -1.287 7.636 -12.139 374 2HG LYS 46 1HG LYS 46 -1.011 5.892 -12.066 375 1HD LYS 46 2HD LYS 46 -3.377 5.465 -12.185 376 2HD LYS 46 1HD LYS 46 -3.737 7.189 -12.073 377 1HE LYS 46 2HE LYS 46 -2.158 5.930 -14.309 378 2HE LYS 46 1HE LYS 46 -3.893 6.233 -14.379 379 1HZ LYS 46 1HZ LYS 46 -2.638 8.003 -15.445 380 2HZ LYS 46 2HZ LYS 46 -1.794 8.308 -14.005 381 3HZ LYS 46 3HZ LYS 46 -3.461 8.591 -14.086 382 H GLU 47 H GLU 47 0.302 8.668 -7.964 383 HA GLU 47 HA GLU 47 1.071 10.376 -10.179 384 1HB GLU 47 2HB GLU 47 -0.155 11.254 -8.152 385 2HB GLU 47 1HB GLU 47 1.332 11.015 -7.242 386 1HG GLU 47 2HG GLU 47 2.502 12.546 -8.733 387 2HG GLU 47 1HG GLU 47 1.023 12.779 -9.662 388 H ASN 48 H ASN 48 2.833 9.390 -11.046 389 HA ASN 48 HA ASN 48 5.031 8.997 -11.404 390 1HB ASN 48 2HB ASN 48 5.293 11.025 -9.181 391 2HB ASN 48 1HB ASN 48 6.668 10.402 -10.094 392 1HD2 ASN 48 1HD2 ASN 48 6.913 10.967 -12.252 393 2HD2 ASN 48 2HD2 ASN 48 6.036 12.284 -12.959 394 H LYS 49 H LYS 49 4.053 6.912 -10.240 395 HA LYS 49 HA LYS 49 6.259 5.828 -8.794 396 1HB LYS 49 2HB LYS 49 4.990 6.993 -6.977 397 2HB LYS 49 1HB LYS 49 3.635 5.929 -7.326 398 1HG LYS 49 2HG LYS 49 4.760 5.000 -5.485 399 2HG LYS 49 1HG LYS 49 5.171 3.995 -6.871 400 1HD LYS 49 2HD LYS 49 7.158 4.390 -5.561 401 2HD LYS 49 1HD LYS 49 7.292 5.257 -7.091 402 1HE LYS 49 2HE LYS 49 6.613 7.327 -5.981 403 2HE LYS 49 1HE LYS 49 6.456 6.463 -4.453 404 1HZ LYS 49 1HZ LYS 49 8.808 6.004 -4.477 405 2HZ LYS 49 2HZ LYS 49 8.564 7.674 -4.647 406 3HZ LYS 49 3HZ LYS 49 8.979 6.737 -5.994 407 H GLY 50 H GLY 50 2.772 5.107 -8.808 408 1HA GLY 50 2HA GLY 50 1.995 3.708 -10.726 409 2HA GLY 50 1HA GLY 50 3.393 2.696 -10.396 410 H GLN 51 H GLN 51 3.435 2.235 -7.832 411 HA GLN 51 HA GLN 51 0.795 1.304 -7.029 412 1HB GLN 51 2HB GLN 51 1.791 -0.965 -6.513 413 2HB GLN 51 1HB GLN 51 1.500 -0.617 -8.212 414 1HG GLN 51 2HG GLN 51 4.189 -0.121 -7.003 415 2HG GLN 51 1HG GLN 51 3.714 -1.749 -7.485 416 1HE2 GLN 51 1HE2 GLN 51 5.788 0.091 -8.533 417 2HE2 GLN 51 2HE2 GLN 51 5.452 0.234 -10.228 418 H ARG 52 H ARG 52 0.719 0.459 -4.874 419 HA ARG 52 HA ARG 52 3.017 1.167 -3.196 420 1HB ARG 52 2HB ARG 52 0.240 1.430 -2.104 421 2HB ARG 52 1HB ARG 52 1.721 2.158 -1.535 422 1HG ARG 52 2HG ARG 52 1.646 3.662 -3.539 423 2HG ARG 52 1HG ARG 52 0.001 3.022 -3.864 424 1HD ARG 52 2HD ARG 52 0.281 5.201 -2.487 425 2HD ARG 52 1HD ARG 52 -0.875 3.976 -1.973 426 HE ARG 52 HE ARG 52 1.222 3.290 -0.516 427 1HH1 ARG 52 1HH1 ARG 52 0.132 6.519 -1.253 428 2HH1 ARG 52 2HH1 ARG 52 0.386 7.119 0.350 429 1HH2 ARG 52 1HH2 ARG 52 1.585 4.087 1.623 430 2HH2 ARG 52 2HH2 ARG 52 1.211 5.746 1.980 431 H CYS 53 H CYS 53 3.492 -0.386 -1.653 432 HA CYS 53 HA CYS 53 1.412 -2.379 -1.148 433 1HB CYS 53 2HB CYS 53 2.894 -3.479 -2.723 434 2HB CYS 53 1HB CYS 53 4.299 -3.048 -1.749 435 H LEU 54 H LEU 54 0.972 -2.365 0.917 436 HA LEU 54 HA LEU 54 3.114 -1.636 2.795 437 1HB LEU 54 2HB LEU 54 1.223 -0.040 2.679 438 2HB LEU 54 1HB LEU 54 0.132 -1.329 3.151 439 HG LEU 54 HG LEU 54 1.311 -1.521 5.312 440 1HD1 LEU 54 1HD1 LEU 54 3.509 -0.748 4.613 441 2HD1 LEU 54 2HD1 LEU 54 2.912 0.207 5.972 442 3HD1 LEU 54 3HD1 LEU 54 2.865 0.870 4.338 443 1HD2 LEU 54 1HD2 LEU 54 -0.659 -0.105 5.135 444 2HD2 LEU 54 2HD2 LEU 54 0.348 1.255 4.639 445 3HD2 LEU 54 3HD2 LEU 54 0.505 0.588 6.264 446 H ASN 55 H ASN 55 3.800 -3.187 4.062 447 HA ASN 55 HA ASN 55 2.402 -5.702 4.235 448 1HB ASN 55 2HB ASN 55 5.032 -4.680 5.272 449 2HB ASN 55 1HB ASN 55 4.371 -6.196 5.869 450 1HD2 ASN 55 1HD2 ASN 55 3.871 -5.122 2.582 451 2HD2 ASN 55 2HD2 ASN 55 4.892 -6.302 1.837 452 HA PRO 56 HA PRO 56 0.137 -4.956 7.921 453 1HB PRO 56 2HB PRO 56 0.671 -7.700 8.817 454 2HB PRO 56 1HB PRO 56 -0.851 -6.963 8.315 455 1HG PRO 56 2HG PRO 56 0.396 -8.793 6.800 456 2HG PRO 56 1HG PRO 56 -0.504 -7.440 6.088 457 1HD PRO 56 2HD PRO 56 2.455 -7.750 6.475 458 2HD PRO 56 1HD PRO 56 1.561 -7.141 5.064 459 H LYS 57 H LYS 57 3.271 -4.865 8.042 460 HA LYS 57 HA LYS 57 3.773 -5.445 10.824 461 1HB LYS 57 2HB LYS 57 5.419 -5.292 8.700 462 2HB LYS 57 1HB LYS 57 5.580 -3.643 9.289 463 1HG LYS 57 2HG LYS 57 7.322 -5.100 10.179 464 2HG LYS 57 1HG LYS 57 6.288 -4.467 11.463 465 1HD LYS 57 2HD LYS 57 5.095 -6.539 11.612 466 2HD LYS 57 1HD LYS 57 5.917 -7.176 10.188 467 1HE LYS 57 2HE LYS 57 7.283 -6.433 12.770 468 2HE LYS 57 1HE LYS 57 6.787 -8.068 12.336 469 1HZ LYS 57 1HZ LYS 57 8.804 -6.380 10.956 470 2HZ LYS 57 2HZ LYS 57 8.231 -7.852 10.341 471 3HZ LYS 57 3HZ LYS 57 9.080 -7.823 11.810 472 H SER 58 H SER 58 2.631 -2.877 8.881 473 HA SER 58 HA SER 58 2.013 -1.350 11.285 474 1HB SER 58 2HB SER 58 4.032 -0.291 10.274 475 2HB SER 58 1HB SER 58 3.137 -0.078 8.769 476 HG SER 58 HG SER 58 3.100 1.805 10.060 477 H LYS 59 H LYS 59 -0.116 -1.752 11.229 478 HA LYS 59 HA LYS 59 -1.570 -1.934 8.756 479 1HB LYS 59 2HB LYS 59 -3.551 -2.269 10.295 480 2HB LYS 59 1HB LYS 59 -2.250 -3.441 10.453 481 1HG LYS 59 2HG LYS 59 -1.409 -2.083 12.393 482 2HG LYS 59 1HG LYS 59 -2.910 -1.160 12.294 483 1HD LYS 59 2HD LYS 59 -4.209 -3.162 12.679 484 2HD LYS 59 1HD LYS 59 -2.747 -4.150 12.656 485 1HE LYS 59 2HE LYS 59 -3.437 -2.012 14.670 486 2HE LYS 59 1HE LYS 59 -3.471 -3.753 14.945 487 1HZ LYS 59 1HZ LYS 59 -1.454 -2.864 15.840 488 2HZ LYS 59 2HZ LYS 59 -1.081 -2.080 14.386 489 3HZ LYS 59 3HZ LYS 59 -1.054 -3.774 14.464 490 H GLN 60 H GLN 60 -0.734 0.407 8.378 491 HA GLN 60 HA GLN 60 -2.534 2.428 9.457 492 1HB GLN 60 2HB GLN 60 -0.169 2.997 9.071 493 2HB GLN 60 1HB GLN 60 -0.347 2.612 7.364 494 1HG GLN 60 2HG GLN 60 -2.001 4.439 7.171 495 2HG GLN 60 1HG GLN 60 -1.684 4.859 8.853 496 1HE2 GLN 60 1HE2 GLN 60 -0.962 6.909 8.286 497 2HE2 GLN 60 2HE2 GLN 60 0.572 7.174 7.531 498 H ALA 61 H ALA 61 -2.180 0.437 6.634 499 HA ALA 61 HA ALA 61 -3.875 1.876 4.893 500 1HB ALA 61 1HB ALA 61 -2.402 0.095 4.087 501 2HB ALA 61 2HB ALA 61 -4.080 -0.220 3.645 502 3HB ALA 61 3HB ALA 61 -3.344 -1.093 4.988 503 H ARG 62 H ARG 62 -4.398 0.116 7.703 504 HA ARG 62 HA ARG 62 -7.045 -0.740 7.489 505 1HB ARG 62 2HB ARG 62 -5.663 -1.429 9.328 506 2HB ARG 62 1HB ARG 62 -5.365 0.236 9.802 507 1HG ARG 62 2HG ARG 62 -6.874 -0.734 11.363 508 2HG ARG 62 1HG ARG 62 -7.768 0.434 10.392 509 1HD ARG 62 2HD ARG 62 -8.787 -1.304 9.112 510 2HD ARG 62 1HD ARG 62 -7.738 -2.526 9.837 511 HE ARG 62 HE ARG 62 -9.082 -1.310 11.925 512 1HH1 ARG 62 1HH1 ARG 62 -9.974 -3.129 9.052 513 2HH1 ARG 62 2HH1 ARG 62 -11.364 -3.857 9.806 514 1HH2 ARG 62 1HH2 ARG 62 -10.892 -2.295 12.904 515 2HH2 ARG 62 2HH2 ARG 62 -11.871 -3.403 11.993 516 H LEU 63 H LEU 63 -5.638 2.394 8.301 517 HA LEU 63 HA LEU 63 -8.261 3.551 8.715 518 1HB LEU 63 2HB LEU 63 -7.157 5.509 9.465 519 2HB LEU 63 1HB LEU 63 -6.278 4.149 10.137 520 HG LEU 63 HG LEU 63 -4.738 4.525 8.017 521 1HD1 LEU 63 1HD1 LEU 63 -6.082 6.304 7.036 522 2HD1 LEU 63 2HD1 LEU 63 -4.493 6.906 7.506 523 3HD1 LEU 63 3HD1 LEU 63 -5.905 7.266 8.502 524 1HD2 LEU 63 1HD2 LEU 63 -3.341 6.011 9.433 525 2HD2 LEU 63 2HD2 LEU 63 -3.945 4.589 10.281 526 3HD2 LEU 63 3HD2 LEU 63 -4.699 6.161 10.549 527 H ILE 64 H ILE 64 -6.224 2.900 6.200 528 HA ILE 64 HA ILE 64 -7.173 5.082 4.554 529 HB ILE 64 HB ILE 64 -5.391 2.742 3.818 530 1HG1 ILE 64 2HG1 ILE 64 -4.664 5.590 4.556 531 2HG1 ILE 64 1HG1 ILE 64 -4.398 4.169 5.562 532 1HG2 ILE 64 1HG2 ILE 64 -5.868 5.347 2.359 533 2HG2 ILE 64 2HG2 ILE 64 -6.504 3.774 1.881 534 3HG2 ILE 64 3HG2 ILE 64 -4.764 4.062 1.863 535 1HD1 ILE 64 1HD1 ILE 64 -3.121 4.723 2.892 536 2HD1 ILE 64 2HD1 ILE 64 -2.861 3.283 3.878 537 3HD1 ILE 64 3HD1 ILE 64 -2.351 4.862 4.474 538 H ILE 65 H ILE 65 -8.271 2.119 5.536 539 HA ILE 65 HA ILE 65 -9.506 1.115 3.203 540 HB ILE 65 HB ILE 65 -10.141 0.737 6.123 541 1HG1 ILE 65 2HG1 ILE 65 -8.074 -0.303 5.353 542 2HG1 ILE 65 1HG1 ILE 65 -9.278 -1.539 5.703 543 1HG2 ILE 65 1HG2 ILE 65 -11.728 -0.989 5.496 544 2HG2 ILE 65 2HG2 ILE 65 -11.448 -0.649 3.787 545 3HG2 ILE 65 3HG2 ILE 65 -12.207 0.569 4.813 546 1HD1 ILE 65 1HD1 ILE 65 -9.744 -1.758 3.320 547 2HD1 ILE 65 2HD1 ILE 65 -8.041 -2.049 3.676 548 3HD1 ILE 65 3HD1 ILE 65 -8.545 -0.513 2.970 549 H LYS 66 H LYS 66 -10.543 3.397 5.678 550 HA LYS 66 HA LYS 66 -13.129 3.754 4.555 551 1HB LYS 66 2HB LYS 66 -11.490 5.440 6.446 552 2HB LYS 66 1HB LYS 66 -13.114 5.882 5.941 553 1HG LYS 66 2HG LYS 66 -12.390 3.323 7.352 554 2HG LYS 66 1HG LYS 66 -13.056 4.760 8.131 555 1HD LYS 66 2HD LYS 66 -15.062 4.590 6.754 556 2HD LYS 66 1HD LYS 66 -14.395 3.175 5.939 557 1HE LYS 66 2HE LYS 66 -14.957 3.350 8.895 558 2HE LYS 66 1HE LYS 66 -16.042 2.628 7.708 559 1HZ LYS 66 1HZ LYS 66 -13.280 1.709 8.310 560 2HZ LYS 66 2HZ LYS 66 -14.323 1.024 7.159 561 3HZ LYS 66 3HZ LYS 66 -14.715 0.951 8.808 562 H LYS 67 H LYS 67 -10.137 4.497 3.438 563 HA LYS 67 HA LYS 67 -10.964 6.898 2.010 564 1HB LYS 67 2HB LYS 67 -8.293 5.573 2.382 565 2HB LYS 67 1HB LYS 67 -8.548 6.709 1.067 566 1HG LYS 67 2HG LYS 67 -7.534 7.832 2.934 567 2HG LYS 67 1HG LYS 67 -9.176 8.432 2.706 568 1HD LYS 67 2HD LYS 67 -9.969 7.064 4.532 569 2HD LYS 67 1HD LYS 67 -8.375 6.332 4.716 570 1HE LYS 67 2HE LYS 67 -7.441 8.500 5.320 571 2HE LYS 67 1HE LYS 67 -9.020 9.253 5.101 572 1HZ LYS 67 1HZ LYS 67 -8.447 8.744 7.444 573 2HZ LYS 67 2HZ LYS 67 -8.480 7.092 7.066 574 3HZ LYS 67 3HZ LYS 67 -9.891 8.020 6.929 575 H VAL 68 H VAL 68 -9.772 3.628 1.462 576 HA VAL 68 HA VAL 68 -10.213 3.602 -1.323 577 HB VAL 68 HB VAL 68 -10.315 1.222 0.550 578 1HG1 VAL 68 1HG1 VAL 68 -9.691 1.437 -2.389 579 2HG1 VAL 68 2HG1 VAL 68 -11.154 0.749 -1.684 580 3HG1 VAL 68 3HG1 VAL 68 -9.595 -0.031 -1.415 581 1HG2 VAL 68 1HG2 VAL 68 -8.305 2.493 0.935 582 2HG2 VAL 68 2HG2 VAL 68 -7.983 2.552 -0.798 583 3HG2 VAL 68 3HG2 VAL 68 -7.922 1.010 0.059 584 H GLU 69 H GLU 69 -12.248 3.212 1.453 585 HA GLU 69 HA GLU 69 -14.514 2.364 -0.174 586 1HB GLU 69 2HB GLU 69 -14.214 2.849 2.786 587 2HB GLU 69 1HB GLU 69 -15.753 2.451 2.031 588 1HG GLU 69 2HG GLU 69 -13.284 0.738 1.887 589 2HG GLU 69 1HG GLU 69 -14.597 0.510 3.038 590 H ARG 70 H ARG 70 -13.013 5.183 0.304 591 HA ARG 70 HA ARG 70 -15.284 6.947 0.644 592 1HB ARG 70 2HB ARG 70 -12.911 7.422 1.411 593 2HB ARG 70 1HB ARG 70 -12.477 7.606 -0.279 594 1HG ARG 70 2HG ARG 70 -14.236 9.425 -0.384 595 2HG ARG 70 1HG ARG 70 -14.279 9.338 1.379 596 1HD ARG 70 2HD ARG 70 -12.753 11.071 0.820 597 2HD ARG 70 1HD ARG 70 -11.788 9.696 1.354 598 HE ARG 70 HE ARG 70 -11.206 9.274 -0.933 599 1HH1 ARG 70 1HH1 ARG 70 -12.885 12.292 -0.350 600 2HH1 ARG 70 2HH1 ARG 70 -12.270 13.069 -1.776 601 1HH2 ARG 70 1HH2 ARG 70 -10.384 10.293 -2.816 602 2HH2 ARG 70 2HH2 ARG 70 -10.824 11.938 -3.177 603 H LYS 71 H LYS 71 -15.850 5.250 -1.373 604 HA LYS 71 HA LYS 71 -14.813 5.803 -3.914 605 1HB LYS 71 2HB LYS 71 -16.026 3.734 -3.182 606 2HB LYS 71 1HB LYS 71 -17.524 4.643 -3.292 607 1HG LYS 71 2HG LYS 71 -17.257 3.328 -5.270 608 2HG LYS 71 1HG LYS 71 -17.067 5.032 -5.689 609 1HD LYS 71 2HD LYS 71 -14.693 4.811 -5.814 610 2HD LYS 71 1HD LYS 71 -14.751 3.184 -5.136 611 1HE LYS 71 2HE LYS 71 -14.399 3.080 -7.532 612 2HE LYS 71 1HE LYS 71 -15.978 2.415 -7.120 613 1HZ LYS 71 1HZ LYS 71 -16.952 4.588 -7.739 614 2HZ LYS 71 2HZ LYS 71 -16.193 3.803 -9.033 615 3HZ LYS 71 3HZ LYS 71 -15.420 5.099 -8.264 616 H ASN 72 H ASN 72 -14.848 7.872 -4.554 617 HA ASN 72 HA ASN 72 -17.492 9.070 -5.057 618 1HB ASN 72 2HB ASN 72 -16.516 11.274 -4.754 619 2HB ASN 72 1HB ASN 72 -16.199 10.306 -3.318 620 1HD2 ASN 72 1HD2 ASN 72 -14.091 9.515 -2.962 621 2HD2 ASN 72 2HD2 ASN 72 -12.721 10.255 -3.725 622 H PHE 73 H PHE 73 -14.776 7.723 -6.347 623 HA PHE 73 HA PHE 73 -15.255 8.981 -8.946 624 1HB PHE 73 2HB PHE 73 -13.157 9.887 -7.998 625 2HB PHE 73 1HB PHE 73 -12.541 8.250 -7.810 626 HD1 PHE 73 1HD PHE 73 -13.599 10.768 -10.301 627 HD2 PHE 73 2HD PHE 73 -11.513 7.123 -9.603 628 HE1 PHE 73 1HE PHE 73 -12.681 10.858 -12.581 629 HE2 PHE 73 2HE PHE 73 -10.588 7.211 -11.881 630 HZ PHE 73 HZ PHE 73 -11.173 9.080 -13.373 Start of MODEL 9 1 1H PHE 1 1HT PHE 1 14.280 -20.084 -13.760 2 2H PHE 1 2HT PHE 1 14.926 -21.275 -12.744 3 3H PHE 1 3HT PHE 1 15.920 -20.040 -13.343 4 HA PHE 1 HA PHE 1 15.419 -19.602 -11.079 5 1HB PHE 1 2HB PHE 1 15.643 -17.676 -12.545 6 2HB PHE 1 1HB PHE 1 13.942 -17.771 -12.984 7 HD1 PHE 1 1HD PHE 1 16.288 -17.021 -10.238 8 HD2 PHE 1 2HD PHE 1 12.273 -16.799 -11.627 9 HE1 PHE 1 1HE PHE 1 15.734 -15.502 -8.383 10 HE2 PHE 1 2HE PHE 1 11.713 -15.283 -9.776 11 HZ PHE 1 HZ PHE 1 13.444 -14.631 -8.150 12 HA PRO 2 HA PRO 2 10.618 -19.366 -10.571 13 1HB PRO 2 2HB PRO 2 9.539 -20.775 -12.921 14 2HB PRO 2 1HB PRO 2 9.036 -19.244 -12.200 15 1HG PRO 2 2HG PRO 2 10.321 -19.334 -14.546 16 2HG PRO 2 1HG PRO 2 10.598 -18.023 -13.385 17 1HD PRO 2 2HD PRO 2 12.269 -20.443 -13.948 18 2HD PRO 2 1HD PRO 2 12.778 -18.764 -13.672 19 H MET 3 H MET 3 10.432 -20.780 -8.984 20 HA MET 3 HA MET 3 10.543 -23.647 -9.538 21 1HB MET 3 2HB MET 3 10.376 -22.135 -6.919 22 2HB MET 3 1HB MET 3 10.458 -23.884 -7.060 23 1HG MET 3 2HG MET 3 12.658 -23.703 -8.103 24 2HG MET 3 1HG MET 3 12.575 -21.948 -7.972 25 1HE MET 3 1HE MET 3 12.832 -24.814 -4.356 26 2HE MET 3 2HE MET 3 12.905 -25.346 -6.038 27 3HE MET 3 3HE MET 3 11.405 -24.693 -5.383 28 H PHE 4 H PHE 4 8.843 -24.856 -7.973 29 HA PHE 4 HA PHE 4 6.228 -23.683 -8.672 30 1HB PHE 4 2HB PHE 4 7.075 -26.577 -8.501 31 2HB PHE 4 1HB PHE 4 5.398 -26.061 -8.663 32 HD1 PHE 4 1HD PHE 4 4.613 -25.010 -10.718 33 HD2 PHE 4 2HD PHE 4 8.601 -26.451 -10.345 34 HE1 PHE 4 1HE PHE 4 4.880 -24.891 -13.160 35 HE2 PHE 4 2HE PHE 4 8.875 -26.331 -12.787 36 HZ PHE 4 HZ PHE 4 7.013 -25.550 -14.196 37 H LYS 5 H LYS 5 8.079 -23.803 -6.138 38 HA LYS 5 HA LYS 5 5.832 -24.046 -4.290 39 1HB LYS 5 2HB LYS 5 8.504 -25.415 -3.973 40 2HB LYS 5 1HB LYS 5 7.432 -25.112 -2.613 41 1HG LYS 5 2HG LYS 5 5.684 -26.439 -3.756 42 2HG LYS 5 1HG LYS 5 6.845 -26.810 -5.030 43 1HD LYS 5 2HD LYS 5 7.256 -27.462 -2.114 44 2HD LYS 5 1HD LYS 5 6.599 -28.594 -3.298 45 1HE LYS 5 2HE LYS 5 8.684 -28.350 -4.617 46 2HE LYS 5 1HE LYS 5 9.334 -27.318 -3.343 47 1HZ LYS 5 1HZ LYS 5 10.065 -29.653 -3.179 48 2HZ LYS 5 2HZ LYS 5 8.454 -30.128 -2.943 49 3HZ LYS 5 3HZ LYS 5 9.220 -29.135 -1.802 50 H ARG 6 H ARG 6 6.397 -23.081 -2.140 51 HA ARG 6 HA ARG 6 7.185 -21.448 -0.800 52 1HB ARG 6 2HB ARG 6 9.410 -21.207 -2.830 53 2HB ARG 6 1HB ARG 6 9.348 -20.323 -1.312 54 1HG ARG 6 2HG ARG 6 9.392 -22.432 -0.078 55 2HG ARG 6 1HG ARG 6 9.460 -23.317 -1.604 56 1HD ARG 6 2HD ARG 6 11.571 -22.180 -2.142 57 2HD ARG 6 1HD ARG 6 11.506 -21.351 -0.587 58 HE ARG 6 HE ARG 6 11.360 -23.940 0.128 59 1HH1 ARG 6 1HH1 ARG 6 13.531 -22.198 -1.993 60 2HH1 ARG 6 2HH1 ARG 6 14.892 -23.229 -1.659 61 1HH2 ARG 6 1HH2 ARG 6 13.136 -25.342 0.533 62 2HH2 ARG 6 2HH2 ARG 6 14.656 -25.045 -0.269 63 H GLY 7 H GLY 7 7.832 -19.004 -0.916 64 1HA GLY 7 2HA GLY 7 7.323 -17.283 -2.952 65 2HA GLY 7 1HA GLY 7 5.713 -17.727 -2.397 66 H ARG 8 H ARG 8 8.596 -15.969 -1.705 67 HA ARG 8 HA ARG 8 7.933 -15.406 1.032 68 1HB ARG 8 2HB ARG 8 9.945 -14.020 -0.751 69 2HB ARG 8 1HB ARG 8 9.853 -13.911 1.000 70 1HG ARG 8 2HG ARG 8 10.323 -16.336 1.132 71 2HG ARG 8 1HG ARG 8 10.543 -16.351 -0.618 72 1HD ARG 8 2HD ARG 8 12.706 -16.175 0.367 73 2HD ARG 8 1HD ARG 8 12.312 -14.599 -0.318 74 HE ARG 8 HE ARG 8 12.122 -15.246 2.555 75 1HH1 ARG 8 1HH1 ARG 8 12.794 -12.993 -0.051 76 2HH1 ARG 8 2HH1 ARG 8 13.236 -11.702 1.022 77 1HH2 ARG 8 1HH2 ARG 8 12.700 -13.540 3.961 78 2HH2 ARG 8 2HH2 ARG 8 13.170 -12.000 3.295 79 H CYS 9 H CYS 9 5.969 -14.433 1.137 80 HA CYS 9 HA CYS 9 5.117 -12.290 -0.491 81 1HB CYS 9 2HB CYS 9 4.185 -12.959 2.318 82 2HB CYS 9 1HB CYS 9 3.297 -12.057 1.086 83 H LEU 10 H LEU 10 6.154 -10.416 -0.589 84 HA LEU 10 HA LEU 10 6.397 -8.740 1.684 85 1HB LEU 10 2HB LEU 10 8.403 -10.344 1.879 86 2HB LEU 10 1HB LEU 10 9.040 -9.509 0.473 87 HG LEU 10 HG LEU 10 9.070 -7.400 1.704 88 1HD1 LEU 10 1HD1 LEU 10 8.602 -7.338 4.095 89 2HD1 LEU 10 2HD1 LEU 10 8.109 -9.031 4.052 90 3HD1 LEU 10 3HD1 LEU 10 7.169 -7.817 3.185 91 1HD2 LEU 10 1HD2 LEU 10 11.044 -8.825 1.758 92 2HD2 LEU 10 2HD2 LEU 10 10.415 -9.665 3.173 93 3HD2 LEU 10 3HD2 LEU 10 10.857 -7.962 3.285 94 H CYS 11 H CYS 11 7.290 -6.691 1.174 95 HA CYS 11 HA CYS 11 7.950 -6.047 -1.551 96 1HB CYS 11 2HB CYS 11 5.526 -5.012 -0.097 97 2HB CYS 11 1HB CYS 11 6.385 -3.953 -1.206 98 H ILE 12 H ILE 12 7.981 -3.198 -0.976 99 HA ILE 12 HA ILE 12 9.704 -3.164 1.388 100 HB ILE 12 HB ILE 12 11.137 -3.680 -0.438 101 1HG1 ILE 12 2HG1 ILE 12 12.712 -1.732 -0.406 102 2HG1 ILE 12 1HG1 ILE 12 11.473 -0.803 0.431 103 1HG2 ILE 12 1HG2 ILE 12 11.430 -2.120 -2.349 104 2HG2 ILE 12 2HG2 ILE 12 9.986 -1.268 -1.802 105 3HG2 ILE 12 3HG2 ILE 12 9.880 -2.961 -2.295 106 1HD1 ILE 12 1HD1 ILE 12 13.131 -1.690 1.975 107 2HD1 ILE 12 2HD1 ILE 12 12.758 -3.328 1.443 108 3HD1 ILE 12 3HD1 ILE 12 11.537 -2.378 2.286 109 H GLY 13 H GLY 13 7.081 -2.053 0.220 110 1HA GLY 13 2HA GLY 13 5.754 -0.258 0.654 111 2HA GLY 13 1HA GLY 13 6.889 0.149 1.897 112 HA PRO 14 HA PRO 14 7.939 2.759 -1.942 113 1HB PRO 14 2HB PRO 14 6.516 2.349 -4.166 114 2HB PRO 14 1HB PRO 14 7.806 1.227 -3.707 115 1HG PRO 14 2HG PRO 14 4.855 0.934 -3.445 116 2HG PRO 14 1HG PRO 14 6.068 -0.294 -3.833 117 1HD PRO 14 2HD PRO 14 4.931 0.180 -1.294 118 2HD PRO 14 1HD PRO 14 6.371 -0.792 -1.627 119 H GLY 15 H GLY 15 5.697 2.870 0.017 120 1HA GLY 15 2HA GLY 15 3.463 4.195 -1.129 121 2HA GLY 15 1HA GLY 15 3.860 4.127 0.583 122 H VAL 16 H VAL 16 2.953 6.334 -1.277 123 HA VAL 16 HA VAL 16 5.244 8.136 -1.206 124 HB VAL 16 HB VAL 16 2.464 8.693 -2.255 125 1HG1 VAL 16 1HG1 VAL 16 3.752 10.700 -1.728 126 2HG1 VAL 16 2HG1 VAL 16 3.557 10.514 -3.471 127 3HG1 VAL 16 3HG1 VAL 16 5.092 10.103 -2.706 128 1HG2 VAL 16 1HG2 VAL 16 4.932 7.778 -3.729 129 2HG2 VAL 16 2HG2 VAL 16 3.402 8.242 -4.473 130 3HG2 VAL 16 3HG2 VAL 16 3.484 6.816 -3.438 131 H LYS 17 H LYS 17 1.858 8.996 -0.570 132 HA LYS 17 HA LYS 17 2.172 9.409 2.208 133 1HB LYS 17 2HB LYS 17 3.610 11.276 1.206 134 2HB LYS 17 1HB LYS 17 2.104 11.983 0.639 135 1HG LYS 17 2HG LYS 17 2.740 13.034 2.693 136 2HG LYS 17 1HG LYS 17 1.302 12.048 2.978 137 1HD LYS 17 2HD LYS 17 2.744 10.248 3.850 138 2HD LYS 17 1HD LYS 17 4.149 11.289 3.623 139 1HE LYS 17 2HE LYS 17 3.502 11.403 5.923 140 2HE LYS 17 1HE LYS 17 3.094 12.939 5.161 141 1HZ LYS 17 1HZ LYS 17 1.211 10.720 5.761 142 2HZ LYS 17 2HZ LYS 17 0.791 12.150 4.958 143 3HZ LYS 17 3HZ LYS 17 1.301 12.205 6.574 144 H ALA 18 H ALA 18 0.577 11.257 -0.391 145 HA ALA 18 HA ALA 18 -1.989 10.102 0.160 146 1HB ALA 18 1HB ALA 18 -1.841 11.702 2.014 147 2HB ALA 18 2HB ALA 18 -3.098 12.163 0.866 148 3HB ALA 18 3HB ALA 18 -1.549 13.007 0.864 149 H VAL 19 H VAL 19 -3.205 10.189 -1.636 150 HA VAL 19 HA VAL 19 -2.527 12.169 -3.711 151 HB VAL 19 HB VAL 19 -2.817 10.339 -5.419 152 1HG1 VAL 19 1HG1 VAL 19 -0.522 10.017 -3.484 153 2HG1 VAL 19 2HG1 VAL 19 -0.598 11.163 -4.823 154 3HG1 VAL 19 3HG1 VAL 19 -0.557 9.430 -5.145 155 1HG2 VAL 19 1HG2 VAL 19 -2.479 8.025 -4.644 156 2HG2 VAL 19 2HG2 VAL 19 -3.985 8.725 -4.050 157 3HG2 VAL 19 3HG2 VAL 19 -2.593 8.587 -2.976 158 H LYS 20 H LYS 20 -4.346 11.031 -5.637 159 HA LYS 20 HA LYS 20 -6.816 12.140 -4.749 160 1HB LYS 20 2HB LYS 20 -6.108 12.077 -7.133 161 2HB LYS 20 1HB LYS 20 -6.284 10.326 -7.111 162 1HG LYS 20 2HG LYS 20 -8.263 10.994 -8.068 163 2HG LYS 20 1HG LYS 20 -8.715 10.827 -6.371 164 1HD LYS 20 2HD LYS 20 -9.652 12.872 -7.182 165 2HD LYS 20 1HD LYS 20 -8.310 13.285 -6.112 166 1HE LYS 20 2HE LYS 20 -8.349 14.633 -8.189 167 2HE LYS 20 1HE LYS 20 -6.867 13.697 -7.994 168 1HZ LYS 20 1HZ LYS 20 -7.611 12.120 -9.591 169 2HZ LYS 20 2HZ LYS 20 -7.831 13.651 -10.275 170 3HZ LYS 20 3HZ LYS 20 -9.164 12.798 -9.654 171 H VAL 21 H VAL 21 -7.608 11.090 -2.980 172 HA VAL 21 HA VAL 21 -7.451 8.290 -2.642 173 HB VAL 21 HB VAL 21 -9.027 8.756 -0.666 174 1HG1 VAL 21 1HG1 VAL 21 -7.170 9.665 0.647 175 2HG1 VAL 21 2HG1 VAL 21 -6.339 10.116 -0.842 176 3HG1 VAL 21 3HG1 VAL 21 -6.619 8.415 -0.469 177 1HG2 VAL 21 1HG2 VAL 21 -9.101 11.082 0.082 178 2HG2 VAL 21 2HG2 VAL 21 -9.917 10.898 -1.471 179 3HG2 VAL 21 3HG2 VAL 21 -8.298 11.596 -1.403 180 H ALA 22 H ALA 22 -8.465 7.898 -4.762 181 HA ALA 22 HA ALA 22 -10.661 6.301 -4.357 182 1HB ALA 22 1HB ALA 22 -12.494 7.407 -5.539 183 2HB ALA 22 2HB ALA 22 -11.501 8.850 -5.751 184 3HB ALA 22 3HB ALA 22 -12.008 8.358 -4.135 185 H ASP 23 H ASP 23 -8.752 8.215 -6.501 186 HA ASP 23 HA ASP 23 -9.324 6.598 -8.841 187 1HB ASP 23 2HB ASP 23 -8.342 9.191 -8.423 188 2HB ASP 23 1HB ASP 23 -6.940 8.278 -8.967 189 H ILE 24 H ILE 24 -6.508 7.471 -6.976 190 HA ILE 24 HA ILE 24 -5.421 4.757 -7.166 191 HB ILE 24 HB ILE 24 -3.194 6.307 -6.868 192 1HG1 ILE 24 2HG1 ILE 24 -3.333 8.008 -8.748 193 2HG1 ILE 24 1HG1 ILE 24 -5.079 7.812 -8.699 194 1HG2 ILE 24 1HG2 ILE 24 -3.453 4.410 -8.379 195 2HG2 ILE 24 2HG2 ILE 24 -2.704 5.775 -9.209 196 3HG2 ILE 24 3HG2 ILE 24 -4.407 5.403 -9.484 197 1HD1 ILE 24 1HD1 ILE 24 -3.325 8.829 -6.482 198 2HD1 ILE 24 2HD1 ILE 24 -5.065 8.573 -6.364 199 3HD1 ILE 24 3HD1 ILE 24 -4.424 9.776 -7.484 200 H GLU 25 H GLU 25 -3.646 4.653 -5.382 201 HA GLU 25 HA GLU 25 -3.538 4.199 -3.178 202 1HB GLU 25 2HB GLU 25 -3.484 6.725 -3.095 203 2HB GLU 25 1HB GLU 25 -5.218 6.669 -2.753 204 1HG GLU 25 2HG GLU 25 -4.897 5.676 -0.660 205 2HG GLU 25 1HG GLU 25 -3.259 5.156 -1.061 206 H LYS 26 H LYS 26 -4.813 2.519 -3.998 207 HA LYS 26 HA LYS 26 -7.461 2.370 -2.758 208 1HB LYS 26 2HB LYS 26 -6.637 1.452 -5.512 209 2HB LYS 26 1HB LYS 26 -8.072 0.843 -4.701 210 1HG LYS 26 2HG LYS 26 -8.975 3.124 -4.623 211 2HG LYS 26 1HG LYS 26 -7.538 3.701 -5.476 212 1HD LYS 26 2HD LYS 26 -9.411 3.346 -7.022 213 2HD LYS 26 1HD LYS 26 -8.069 2.251 -7.371 214 1HE LYS 26 2HE LYS 26 -9.316 0.591 -5.847 215 2HE LYS 26 1HE LYS 26 -10.705 1.650 -6.077 216 1HZ LYS 26 1HZ LYS 26 -10.745 -0.135 -7.668 217 2HZ LYS 26 2HZ LYS 26 -9.188 0.253 -8.215 218 3HZ LYS 26 3HZ LYS 26 -10.471 1.327 -8.486 219 H ALA 27 H ALA 27 -6.323 1.379 -1.043 220 HA ALA 27 HA ALA 27 -4.940 -1.107 -1.520 221 1HB ALA 27 1HB ALA 27 -4.119 0.415 0.177 222 2HB ALA 27 2HB ALA 27 -4.640 -1.095 0.925 223 3HB ALA 27 3HB ALA 27 -5.662 0.340 1.026 224 H SER 28 H SER 28 -6.773 -2.187 -2.481 225 HA SER 28 HA SER 28 -8.904 -2.871 -0.579 226 1HB SER 28 2HB SER 28 -8.735 -3.226 -3.570 227 2HB SER 28 1HB SER 28 -10.138 -3.610 -2.572 228 HG SER 28 HG SER 28 -10.563 -1.512 -2.311 229 H ILE 29 H ILE 29 -6.995 -4.219 0.310 230 HA ILE 29 HA ILE 29 -8.006 -6.842 -0.117 231 HB ILE 29 HB ILE 29 -6.222 -6.845 -1.811 232 1HG1 ILE 29 2HG1 ILE 29 -5.586 -8.567 0.600 233 2HG1 ILE 29 1HG1 ILE 29 -6.788 -8.930 -0.634 234 1HG2 ILE 29 1HG2 ILE 29 -4.740 -5.211 -0.829 235 2HG2 ILE 29 2HG2 ILE 29 -3.876 -6.720 -1.127 236 3HG2 ILE 29 3HG2 ILE 29 -4.384 -6.302 0.510 237 1HD1 ILE 29 1HD1 ILE 29 -4.731 -10.199 -0.948 238 2HD1 ILE 29 2HD1 ILE 29 -3.825 -8.693 -1.110 239 3HD1 ILE 29 3HD1 ILE 29 -5.050 -9.122 -2.306 240 H MET 30 H MET 30 -7.867 -8.019 1.796 241 HA MET 30 HA MET 30 -5.711 -7.364 3.595 242 1HB MET 30 2HB MET 30 -7.463 -5.877 4.402 243 2HB MET 30 1HB MET 30 -8.581 -7.233 4.539 244 1HG MET 30 2HG MET 30 -7.162 -8.237 6.249 245 2HG MET 30 1HG MET 30 -6.022 -6.901 6.093 246 1HE MET 30 1HE MET 30 -9.688 -7.912 7.093 247 2HE MET 30 2HE MET 30 -9.939 -6.600 5.940 248 3HE MET 30 3HE MET 30 -10.339 -6.365 7.639 249 H TYR 31 H TYR 31 -5.073 -9.334 2.741 250 HA TYR 31 HA TYR 31 -6.004 -11.581 4.351 251 1HB TYR 31 2HB TYR 31 -5.554 -11.844 1.358 252 2HB TYR 31 1HB TYR 31 -5.996 -13.129 2.465 253 HD1 TYR 31 1HD TYR 31 -7.213 -10.268 0.543 254 HD2 TYR 31 2HD TYR 31 -8.283 -13.330 3.300 255 HE1 TYR 31 1HE TYR 31 -9.589 -9.881 0.039 256 HE2 TYR 31 2HE TYR 31 -10.659 -12.946 2.807 257 HH TYR 31 HH TYR 31 -11.694 -10.956 0.170 258 HA PRO 32 HA PRO 32 -1.619 -12.419 4.705 259 1HB PRO 32 2HB PRO 32 -1.678 -15.157 4.586 260 2HB PRO 32 1HB PRO 32 -2.099 -14.217 6.025 261 1HG PRO 32 2HG PRO 32 -3.905 -15.342 3.909 262 2HG PRO 32 1HG PRO 32 -4.054 -15.457 5.674 263 1HD PRO 32 2HD PRO 32 -5.483 -13.647 4.379 264 2HD PRO 32 1HD PRO 32 -4.646 -13.185 5.879 265 H SER 33 H SER 33 -2.198 -11.618 2.146 266 HA SER 33 HA SER 33 -1.311 -11.585 0.061 267 1HB SER 33 2HB SER 33 0.486 -13.874 0.856 268 2HB SER 33 1HB SER 33 0.788 -12.614 -0.340 269 HG SER 33 HG SER 33 0.881 -11.108 1.377 270 H ASN 34 H ASN 34 -2.811 -14.267 1.346 271 HA ASN 34 HA ASN 34 -3.954 -16.030 0.553 272 1HB ASN 34 2HB ASN 34 -4.897 -14.481 -1.099 273 2HB ASN 34 1HB ASN 34 -3.508 -14.725 -2.147 274 1HD2 ASN 34 1HD2 ASN 34 -6.367 -16.244 -0.787 275 2HD2 ASN 34 2HD2 ASN 34 -6.507 -17.478 -1.995 276 H ASN 35 H ASN 35 -0.887 -15.715 0.567 277 HA ASN 35 HA ASN 35 -0.374 -18.365 -0.574 278 1HB ASN 35 2HB ASN 35 0.300 -16.691 -2.300 279 2HB ASN 35 1HB ASN 35 1.360 -15.932 -1.126 280 1HD2 ASN 35 1HD2 ASN 35 3.324 -16.840 -0.675 281 2HD2 ASN 35 2HD2 ASN 35 3.978 -18.172 -1.560 282 H CYS 36 H CYS 36 -0.640 -16.713 2.030 283 HA CYS 36 HA CYS 36 1.801 -17.589 3.335 284 1HB CYS 36 2HB CYS 36 1.229 -14.769 2.582 285 2HB CYS 36 1HB CYS 36 2.046 -15.083 4.123 286 H ASP 37 H ASP 37 1.807 -16.285 5.591 287 HA ASP 37 HA ASP 37 -0.891 -16.611 6.746 288 1HB ASP 37 2HB ASP 37 0.158 -17.265 8.820 289 2HB ASP 37 1HB ASP 37 0.846 -18.253 7.534 290 H LYS 38 H LYS 38 1.079 -14.411 5.640 291 HA LYS 38 HA LYS 38 0.687 -12.475 7.813 292 1HB LYS 38 2HB LYS 38 2.694 -11.350 7.053 293 2HB LYS 38 1HB LYS 38 3.067 -13.046 7.323 294 1HG LYS 38 2HG LYS 38 2.749 -13.433 4.886 295 2HG LYS 38 1HG LYS 38 2.586 -11.686 4.703 296 1HD LYS 38 2HD LYS 38 4.857 -12.456 4.179 297 2HD LYS 38 1HD LYS 38 4.847 -11.382 5.578 298 1HE LYS 38 2HE LYS 38 5.169 -13.163 7.082 299 2HE LYS 38 1HE LYS 38 4.746 -14.371 5.869 300 1HZ LYS 38 1HZ LYS 38 6.770 -14.059 4.764 301 2HZ LYS 38 2HZ LYS 38 7.178 -14.128 6.408 302 3HZ LYS 38 3HZ LYS 38 7.127 -12.630 5.605 303 H ILE 39 H ILE 39 -0.139 -10.480 7.184 304 HA ILE 39 HA ILE 39 -1.863 -10.854 4.854 305 HB ILE 39 HB ILE 39 -3.317 -9.162 5.771 306 1HG1 ILE 39 2HG1 ILE 39 -1.309 -8.856 8.018 307 2HG1 ILE 39 1HG1 ILE 39 -1.555 -7.688 6.724 308 1HG2 ILE 39 1HG2 ILE 39 -3.945 -10.271 7.875 309 2HG2 ILE 39 2HG2 ILE 39 -2.409 -11.135 7.858 310 3HG2 ILE 39 3HG2 ILE 39 -3.594 -11.420 6.584 311 1HD1 ILE 39 1HD1 ILE 39 -2.685 -6.979 8.736 312 2HD1 ILE 39 2HD1 ILE 39 -3.577 -8.498 8.798 313 3HD1 ILE 39 3HD1 ILE 39 -3.866 -7.362 7.480 314 H GLU 40 H GLU 40 -2.155 -9.273 3.255 315 HA GLU 40 HA GLU 40 -0.043 -7.232 3.093 316 1HB GLU 40 2HB GLU 40 -0.973 -9.209 1.039 317 2HB GLU 40 1HB GLU 40 -0.290 -7.672 0.536 318 1HG GLU 40 2HG GLU 40 1.104 -9.655 2.313 319 2HG GLU 40 1HG GLU 40 1.322 -9.545 0.568 320 H VAL 41 H VAL 41 -0.508 -5.442 1.719 321 HA VAL 41 HA VAL 41 -3.333 -4.988 1.073 322 HB VAL 41 HB VAL 41 -1.659 -3.393 2.916 323 1HG1 VAL 41 1HG1 VAL 41 -3.446 -2.021 0.904 324 2HG1 VAL 41 2HG1 VAL 41 -1.692 -1.853 1.011 325 3HG1 VAL 41 3HG1 VAL 41 -2.720 -1.257 2.318 326 1HG2 VAL 41 1HG2 VAL 41 -3.709 -4.575 3.600 327 2HG2 VAL 41 2HG2 VAL 41 -4.642 -3.580 2.479 328 3HG2 VAL 41 3HG2 VAL 41 -3.835 -2.834 3.858 329 H ILE 42 H ILE 42 -3.647 -4.205 -0.937 330 HA ILE 42 HA ILE 42 -1.219 -3.564 -2.464 331 HB ILE 42 HB ILE 42 -3.869 -4.597 -3.503 332 1HG1 ILE 42 2HG1 ILE 42 -1.202 -6.010 -3.205 333 2HG1 ILE 42 1HG1 ILE 42 -2.624 -6.296 -2.206 334 1HG2 ILE 42 1HG2 ILE 42 -1.237 -4.140 -4.913 335 2HG2 ILE 42 2HG2 ILE 42 -2.705 -3.185 -5.114 336 3HG2 ILE 42 3HG2 ILE 42 -2.676 -4.872 -5.626 337 1HD1 ILE 42 1HD1 ILE 42 -2.408 -6.817 -5.165 338 2HD1 ILE 42 2HD1 ILE 42 -3.834 -7.105 -4.167 339 3HD1 ILE 42 3HD1 ILE 42 -2.359 -8.028 -3.885 340 H ILE 43 H ILE 43 -1.130 -1.394 -2.185 341 HA ILE 43 HA ILE 43 -3.463 0.201 -2.980 342 HB ILE 43 HB ILE 43 -0.877 1.470 -2.225 343 1HG1 ILE 43 2HG1 ILE 43 -2.842 0.506 -0.139 344 2HG1 ILE 43 1HG1 ILE 43 -1.290 -0.263 -0.466 345 1HG2 ILE 43 1HG2 ILE 43 -2.838 2.748 -3.056 346 2HG2 ILE 43 2HG2 ILE 43 -2.309 3.226 -1.435 347 3HG2 ILE 43 3HG2 ILE 43 -3.737 2.209 -1.628 348 1HD1 ILE 43 1HD1 ILE 43 -0.193 1.916 0.069 349 2HD1 ILE 43 2HD1 ILE 43 -1.019 1.146 1.427 350 3HD1 ILE 43 3HD1 ILE 43 -1.769 2.509 0.595 351 H THR 44 H THR 44 -3.141 1.859 -4.542 352 HA THR 44 HA THR 44 -0.490 1.943 -5.719 353 HB THR 44 HB THR 44 -1.621 0.733 -7.381 354 HG1 THR 44 1HG THR 44 -1.504 3.504 -7.849 355 1HG2 THR 44 1HG2 THR 44 -3.934 2.654 -7.088 356 2HG2 THR 44 2HG2 THR 44 -3.907 0.964 -6.586 357 3HG2 THR 44 3HG2 THR 44 -3.822 1.377 -8.298 358 H LEU 45 H LEU 45 -0.302 3.787 -4.259 359 HA LEU 45 HA LEU 45 -2.243 5.920 -4.660 360 1HB LEU 45 2HB LEU 45 -1.479 6.910 -2.615 361 2HB LEU 45 1HB LEU 45 -1.820 5.215 -2.342 362 HG LEU 45 HG LEU 45 0.944 5.537 -2.992 363 1HD1 LEU 45 1HD1 LEU 45 1.627 6.888 -1.076 364 2HD1 LEU 45 2HD1 LEU 45 -0.064 7.191 -0.672 365 3HD1 LEU 45 3HD1 LEU 45 0.615 7.831 -2.170 366 1HD2 LEU 45 1HD2 LEU 45 -0.489 4.743 -0.452 367 2HD2 LEU 45 2HD2 LEU 45 1.218 4.466 -0.797 368 3HD2 LEU 45 3HD2 LEU 45 -0.019 3.656 -1.759 369 H LYS 46 H LYS 46 -1.421 6.360 -6.651 370 HA LYS 46 HA LYS 46 0.455 8.461 -6.670 371 1HB LYS 46 2HB LYS 46 1.491 5.845 -7.314 372 2HB LYS 46 1HB LYS 46 1.682 6.962 -8.660 373 1HG LYS 46 2HG LYS 46 2.679 7.342 -5.846 374 2HG LYS 46 1HG LYS 46 3.649 7.025 -7.283 375 1HD LYS 46 2HD LYS 46 1.919 9.469 -6.904 376 2HD LYS 46 1HD LYS 46 3.645 9.415 -6.555 377 1HE LYS 46 2HE LYS 46 4.157 8.979 -8.856 378 2HE LYS 46 1HE LYS 46 2.448 8.793 -9.252 379 1HZ LYS 46 1HZ LYS 46 2.083 11.107 -8.785 380 2HZ LYS 46 2HZ LYS 46 3.347 10.970 -9.902 381 3HZ LYS 46 3HZ LYS 46 3.688 11.313 -8.276 382 H GLU 47 H GLU 47 -0.508 6.064 -9.028 383 HA GLU 47 HA GLU 47 -1.917 7.584 -10.858 384 1HB GLU 47 2HB GLU 47 0.268 8.948 -10.625 385 2HB GLU 47 1HB GLU 47 1.064 7.600 -11.416 386 1HG GLU 47 2HG GLU 47 -0.327 7.946 -13.394 387 2HG GLU 47 1HG GLU 47 -1.111 9.312 -12.593 388 H ASN 48 H ASN 48 -0.348 6.538 -13.184 389 HA ASN 48 HA ASN 48 -0.868 3.701 -12.876 390 1HB ASN 48 2HB ASN 48 0.397 5.170 -15.208 391 2HB ASN 48 1HB ASN 48 -0.198 3.512 -15.221 392 1HD2 ASN 48 1HD2 ASN 48 -2.439 3.137 -15.195 393 2HD2 ASN 48 2HD2 ASN 48 -3.560 4.387 -15.622 394 H LYS 49 H LYS 49 1.282 5.315 -11.464 395 HA LYS 49 HA LYS 49 3.831 4.589 -12.338 396 1HB LYS 49 2HB LYS 49 3.469 6.432 -10.823 397 2HB LYS 49 1HB LYS 49 2.845 5.339 -9.597 398 1HG LYS 49 2HG LYS 49 4.986 4.323 -9.337 399 2HG LYS 49 1HG LYS 49 5.655 5.265 -10.668 400 1HD LYS 49 2HD LYS 49 5.242 7.320 -9.384 401 2HD LYS 49 1HD LYS 49 4.617 6.350 -8.050 402 1HE LYS 49 2HE LYS 49 6.909 6.980 -7.606 403 2HE LYS 49 1HE LYS 49 6.806 5.238 -7.862 404 1HZ LYS 49 1HZ LYS 49 8.704 6.312 -8.996 405 2HZ LYS 49 2HZ LYS 49 7.607 7.183 -9.958 406 3HZ LYS 49 3HZ LYS 49 7.668 5.491 -10.062 407 H GLY 50 H GLY 50 1.633 2.937 -10.073 408 1HA GLY 50 2HA GLY 50 2.071 0.413 -10.555 409 2HA GLY 50 1HA GLY 50 3.630 0.795 -9.844 410 H GLN 51 H GLN 51 3.066 -0.871 -8.304 411 HA GLN 51 HA GLN 51 0.721 -0.457 -6.648 412 1HB GLN 51 2HB GLN 51 2.796 -2.645 -6.648 413 2HB GLN 51 1HB GLN 51 1.354 -2.624 -5.645 414 1HG GLN 51 2HG GLN 51 -0.057 -2.841 -7.555 415 2HG GLN 51 1HG GLN 51 1.299 -2.586 -8.652 416 1HE2 GLN 51 1HE2 GLN 51 -0.294 -4.825 -6.543 417 2HE2 GLN 51 2HE2 GLN 51 0.578 -6.240 -7.036 418 H ARG 52 H ARG 52 0.678 -0.323 -4.495 419 HA ARG 52 HA ARG 52 3.193 0.303 -3.124 420 1HB ARG 52 2HB ARG 52 0.495 1.365 -2.275 421 2HB ARG 52 1HB ARG 52 2.088 1.895 -1.758 422 1HG ARG 52 2HG ARG 52 0.940 2.299 -4.496 423 2HG ARG 52 1HG ARG 52 0.922 3.479 -3.189 424 1HD ARG 52 2HD ARG 52 2.951 4.172 -3.803 425 2HD ARG 52 1HD ARG 52 3.596 2.554 -3.526 426 HE ARG 52 HE ARG 52 2.281 2.673 -6.033 427 1HH1 ARG 52 1HH1 ARG 52 5.209 3.796 -4.462 428 2HH1 ARG 52 2HH1 ARG 52 6.164 3.695 -5.914 429 1HH2 ARG 52 1HH2 ARG 52 3.546 2.575 -7.935 430 2HH2 ARG 52 2HH2 ARG 52 5.228 3.003 -7.871 431 H CYS 53 H CYS 53 3.599 -1.605 -2.085 432 HA CYS 53 HA CYS 53 1.371 -2.984 -0.856 433 1HB CYS 53 2HB CYS 53 4.225 -3.755 -0.383 434 2HB CYS 53 1HB CYS 53 2.799 -4.781 -0.465 435 H LEU 54 H LEU 54 0.731 -2.575 1.151 436 HA LEU 54 HA LEU 54 2.516 -1.142 2.955 437 1HB LEU 54 2HB LEU 54 -0.129 -0.874 2.629 438 2HB LEU 54 1HB LEU 54 -0.159 -2.152 3.827 439 HG LEU 54 HG LEU 54 -0.422 0.049 4.856 440 1HD1 LEU 54 1HD1 LEU 54 2.222 -1.240 5.512 441 2HD1 LEU 54 2HD1 LEU 54 0.648 -1.682 6.174 442 3HD1 LEU 54 3HD1 LEU 54 1.348 -0.106 6.543 443 1HD2 LEU 54 1HD2 LEU 54 0.800 1.367 3.214 444 2HD2 LEU 54 2HD2 LEU 54 2.316 0.631 3.735 445 3HD2 LEU 54 3HD2 LEU 54 1.410 1.663 4.842 446 H ASN 55 H ASN 55 4.003 -2.393 3.826 447 HA ASN 55 HA ASN 55 4.260 -5.070 3.836 448 1HB ASN 55 2HB ASN 55 5.255 -3.089 5.883 449 2HB ASN 55 1HB ASN 55 5.731 -4.784 5.899 450 1HD2 ASN 55 1HD2 ASN 55 7.888 -4.284 5.533 451 2HD2 ASN 55 2HD2 ASN 55 8.457 -3.745 3.995 452 HA PRO 56 HA PRO 56 1.537 -7.541 6.061 453 1HB PRO 56 2HB PRO 56 3.923 -8.203 7.752 454 2HB PRO 56 1HB PRO 56 2.687 -9.282 7.089 455 1HG PRO 56 2HG PRO 56 5.035 -9.014 5.876 456 2HG PRO 56 1HG PRO 56 3.539 -9.150 4.935 457 1HD PRO 56 2HD PRO 56 5.288 -6.809 5.364 458 2HD PRO 56 1HD PRO 56 4.148 -7.142 4.047 459 H LYS 57 H LYS 57 3.420 -5.337 8.049 460 HA LYS 57 HA LYS 57 2.058 -5.636 10.482 461 1HB LYS 57 2HB LYS 57 3.128 -3.058 9.301 462 2HB LYS 57 1HB LYS 57 2.809 -3.376 11.000 463 1HG LYS 57 2HG LYS 57 4.911 -4.700 9.300 464 2HG LYS 57 1HG LYS 57 5.181 -3.478 10.543 465 1HD LYS 57 2HD LYS 57 4.039 -6.236 10.994 466 2HD LYS 57 1HD LYS 57 5.688 -5.727 11.364 467 1HE LYS 57 2HE LYS 57 4.835 -4.100 12.970 468 2HE LYS 57 1HE LYS 57 3.181 -4.571 12.583 469 1HZ LYS 57 1HZ LYS 57 3.789 -6.852 13.336 470 2HZ LYS 57 2HZ LYS 57 3.802 -5.681 14.562 471 3HZ LYS 57 3HZ LYS 57 5.265 -6.225 13.897 472 H SER 58 H SER 58 1.367 -3.692 7.616 473 HA SER 58 HA SER 58 -0.475 -2.601 6.859 474 1HB SER 58 2HB SER 58 -1.913 -4.678 8.527 475 2HB SER 58 1HB SER 58 -2.631 -3.724 7.229 476 HG SER 58 HG SER 58 -0.393 -4.906 6.340 477 H LYS 59 H LYS 59 0.688 -1.759 9.484 478 HA LYS 59 HA LYS 59 -1.368 -1.119 11.301 479 1HB LYS 59 2HB LYS 59 1.299 -1.196 11.478 480 2HB LYS 59 1HB LYS 59 1.105 0.533 11.227 481 1HG LYS 59 2HG LYS 59 -0.250 0.736 13.185 482 2HG LYS 59 1HG LYS 59 -0.302 -1.018 13.389 483 1HD LYS 59 2HD LYS 59 2.196 -0.969 13.623 484 2HD LYS 59 1HD LYS 59 2.096 0.791 13.648 485 1HE LYS 59 2HE LYS 59 0.738 -1.067 15.598 486 2HE LYS 59 1HE LYS 59 2.230 -0.176 15.903 487 1HZ LYS 59 1HZ LYS 59 -0.460 0.980 15.407 488 2HZ LYS 59 2HZ LYS 59 0.966 1.892 15.535 489 3HZ LYS 59 3HZ LYS 59 0.409 1.000 16.864 490 H GLN 60 H GLN 60 0.149 0.718 8.688 491 HA GLN 60 HA GLN 60 -1.489 3.043 9.275 492 1HB GLN 60 2HB GLN 60 0.807 3.448 8.581 493 2HB GLN 60 1HB GLN 60 0.556 2.521 7.107 494 1HG GLN 60 2HG GLN 60 -1.045 4.189 6.324 495 2HG GLN 60 1HG GLN 60 -0.801 5.116 7.803 496 1HE2 GLN 60 1HE2 GLN 60 -0.337 5.808 4.972 497 2HE2 GLN 60 2HE2 GLN 60 1.322 6.285 4.881 498 H ALA 61 H ALA 61 -1.520 0.315 7.138 499 HA ALA 61 HA ALA 61 -3.168 1.368 5.102 500 1HB ALA 61 1HB ALA 61 -1.942 -0.746 4.838 501 2HB ALA 61 2HB ALA 61 -3.663 -0.948 4.516 502 3HB ALA 61 3HB ALA 61 -2.984 -1.496 6.048 503 H ARG 62 H ARG 62 -3.717 0.410 8.311 504 HA ARG 62 HA ARG 62 -6.429 -0.103 8.443 505 1HB ARG 62 2HB ARG 62 -4.958 -0.371 10.341 506 2HB ARG 62 1HB ARG 62 -4.564 1.347 10.336 507 1HG ARG 62 2HG ARG 62 -6.861 1.866 10.991 508 2HG ARG 62 1HG ARG 62 -7.262 0.146 10.975 509 1HD ARG 62 2HD ARG 62 -5.610 -0.263 12.718 510 2HD ARG 62 1HD ARG 62 -5.176 1.444 12.721 511 HE ARG 62 HE ARG 62 -7.829 1.492 13.244 512 1HH1 ARG 62 1HH1 ARG 62 -5.164 -0.291 14.656 513 2HH1 ARG 62 2HH1 ARG 62 -5.875 -0.339 16.242 514 1HH2 ARG 62 1HH2 ARG 62 -8.752 1.457 15.312 515 2HH2 ARG 62 2HH2 ARG 62 -7.915 0.675 16.626 516 H LEU 63 H LEU 63 -4.692 2.965 8.293 517 HA LEU 63 HA LEU 63 -7.148 4.491 8.500 518 1HB LEU 63 2HB LEU 63 -4.318 5.432 8.056 519 2HB LEU 63 1HB LEU 63 -5.694 6.457 8.414 520 HG LEU 63 HG LEU 63 -4.507 4.398 10.277 521 1HD1 LEU 63 1HD1 LEU 63 -3.778 6.320 11.587 522 2HD1 LEU 63 2HD1 LEU 63 -4.429 7.411 10.364 523 3HD1 LEU 63 3HD1 LEU 63 -3.074 6.353 9.970 524 1HD2 LEU 63 1HD2 LEU 63 -6.920 4.642 10.580 525 2HD2 LEU 63 2HD2 LEU 63 -6.728 6.390 10.727 526 3HD2 LEU 63 3HD2 LEU 63 -6.031 5.321 11.944 527 H ILE 64 H ILE 64 -5.206 3.120 6.108 528 HA ILE 64 HA ILE 64 -5.962 4.999 4.064 529 HB ILE 64 HB ILE 64 -4.593 2.305 3.780 530 1HG1 ILE 64 2HG1 ILE 64 -3.401 5.088 3.871 531 2HG1 ILE 64 1HG1 ILE 64 -3.328 3.909 5.175 532 1HG2 ILE 64 1HG2 ILE 64 -5.609 3.021 1.691 533 2HG2 ILE 64 2HG2 ILE 64 -3.853 3.152 1.588 534 3HG2 ILE 64 3HG2 ILE 64 -4.833 4.599 1.831 535 1HD1 ILE 64 1HD1 ILE 64 -2.104 3.584 2.447 536 2HD1 ILE 64 2HD1 ILE 64 -2.014 2.421 3.769 537 3HD1 ILE 64 3HD1 ILE 64 -1.245 3.999 3.929 538 H ILE 65 H ILE 65 -7.338 2.322 5.556 539 HA ILE 65 HA ILE 65 -8.812 1.204 3.438 540 HB ILE 65 HB ILE 65 -9.220 1.195 6.415 541 1HG1 ILE 65 2HG1 ILE 65 -7.445 -0.223 5.546 542 2HG1 ILE 65 1HG1 ILE 65 -8.776 -1.223 6.117 543 1HG2 ILE 65 1HG2 ILE 65 -11.436 1.247 5.390 544 2HG2 ILE 65 2HG2 ILE 65 -11.104 -0.330 6.114 545 3HG2 ILE 65 3HG2 ILE 65 -11.000 -0.120 4.365 546 1HD1 ILE 65 1HD1 ILE 65 -7.851 -2.054 4.021 547 2HD1 ILE 65 2HD1 ILE 65 -8.226 -0.515 3.243 548 3HD1 ILE 65 3HD1 ILE 65 -9.530 -1.549 3.828 549 H LYS 66 H LYS 66 -9.614 3.765 5.779 550 HA LYS 66 HA LYS 66 -12.172 4.185 4.599 551 1HB LYS 66 2HB LYS 66 -11.643 4.800 6.973 552 2HB LYS 66 1HB LYS 66 -10.639 6.111 6.359 553 1HG LYS 66 2HG LYS 66 -12.592 7.097 5.270 554 2HG LYS 66 1HG LYS 66 -13.596 5.790 5.890 555 1HD LYS 66 2HD LYS 66 -13.072 6.491 8.182 556 2HD LYS 66 1HD LYS 66 -12.094 7.816 7.543 557 1HE LYS 66 2HE LYS 66 -14.046 8.769 6.460 558 2HE LYS 66 1HE LYS 66 -15.035 7.417 7.007 559 1HZ LYS 66 1HZ LYS 66 -15.391 9.294 8.429 560 2HZ LYS 66 2HZ LYS 66 -13.732 9.469 8.715 561 3HZ LYS 66 3HZ LYS 66 -14.559 8.110 9.309 562 H LYS 67 H LYS 67 -9.167 4.718 3.498 563 HA LYS 67 HA LYS 67 -9.725 7.238 2.167 564 1HB LYS 67 2HB LYS 67 -7.262 5.528 2.405 565 2HB LYS 67 1HB LYS 67 -7.362 6.806 1.199 566 1HG LYS 67 2HG LYS 67 -7.423 8.488 2.795 567 2HG LYS 67 1HG LYS 67 -7.948 7.393 4.072 568 1HD LYS 67 2HD LYS 67 -5.601 8.138 4.327 569 2HD LYS 67 1HD LYS 67 -5.758 6.388 4.179 570 1HE LYS 67 2HE LYS 67 -3.882 7.173 2.867 571 2HE LYS 67 1HE LYS 67 -5.144 6.554 1.805 572 1HZ LYS 67 1HZ LYS 67 -5.850 8.845 1.420 573 2HZ LYS 67 2HZ LYS 67 -4.252 8.591 0.933 574 3HZ LYS 67 3HZ LYS 67 -4.582 9.413 2.384 575 H VAL 68 H VAL 68 -9.568 3.839 1.613 576 HA VAL 68 HA VAL 68 -10.131 4.094 -1.230 577 HB VAL 68 HB VAL 68 -10.400 1.565 0.386 578 1HG1 VAL 68 1HG1 VAL 68 -9.648 2.096 -2.483 579 2HG1 VAL 68 2HG1 VAL 68 -11.189 1.468 -1.899 580 3HG1 VAL 68 3HG1 VAL 68 -9.721 0.505 -1.728 581 1HG2 VAL 68 1HG2 VAL 68 -7.846 2.699 -0.727 582 2HG2 VAL 68 2HG2 VAL 68 -8.043 1.079 -0.055 583 3HG2 VAL 68 3HG2 VAL 68 -8.242 2.495 0.978 584 H GLU 69 H GLU 69 -11.698 4.140 1.746 585 HA GLU 69 HA GLU 69 -14.182 2.935 1.013 586 1HB GLU 69 2HB GLU 69 -13.424 3.013 3.327 587 2HB GLU 69 1HB GLU 69 -13.431 4.772 3.289 588 1HG GLU 69 2HG GLU 69 -15.892 4.617 2.803 589 2HG GLU 69 1HG GLU 69 -15.775 2.909 3.227 590 H ARG 70 H ARG 70 -12.804 6.086 0.690 591 HA ARG 70 HA ARG 70 -15.138 7.656 0.689 592 1HB ARG 70 2HB ARG 70 -12.658 8.373 0.804 593 2HB ARG 70 1HB ARG 70 -12.701 8.305 -0.952 594 1HG ARG 70 2HG ARG 70 -14.523 9.942 -0.963 595 2HG ARG 70 1HG ARG 70 -14.451 10.021 0.798 596 1HD ARG 70 2HD ARG 70 -13.230 11.884 -0.038 597 2HD ARG 70 1HD ARG 70 -12.052 10.720 0.572 598 HE ARG 70 HE ARG 70 -11.829 10.022 -1.851 599 1HH1 ARG 70 1HH1 ARG 70 -12.668 13.284 -0.859 600 2HH1 ARG 70 2HH1 ARG 70 -12.030 14.014 -2.303 601 1HH2 ARG 70 1HH2 ARG 70 -11.005 10.999 -3.756 602 2HH2 ARG 70 2HH2 ARG 70 -11.093 12.727 -3.944 603 H LYS 71 H LYS 71 -16.807 7.132 -0.575 604 HA LYS 71 HA LYS 71 -16.397 5.868 -3.134 605 1HB LYS 71 2HB LYS 71 -18.164 5.177 -1.509 606 2HB LYS 71 1HB LYS 71 -18.989 6.694 -1.825 607 1HG LYS 71 2HG LYS 71 -19.316 6.066 -4.147 608 2HG LYS 71 1HG LYS 71 -18.419 4.567 -3.883 609 1HD LYS 71 2HD LYS 71 -20.110 3.912 -2.187 610 2HD LYS 71 1HD LYS 71 -21.024 5.366 -2.583 611 1HE LYS 71 2HE LYS 71 -20.356 3.137 -4.498 612 2HE LYS 71 1HE LYS 71 -21.909 3.367 -3.700 613 1HZ LYS 71 1HZ LYS 71 -22.107 4.262 -5.853 614 2HZ LYS 71 2HZ LYS 71 -20.639 5.099 -5.741 615 3HZ LYS 71 3HZ LYS 71 -21.975 5.600 -4.816 616 H ASN 72 H ASN 72 -15.505 7.401 -4.455 617 HA ASN 72 HA ASN 72 -17.135 9.756 -5.097 618 1HB ASN 72 2HB ASN 72 -14.300 8.994 -5.828 619 2HB ASN 72 1HB ASN 72 -15.125 10.399 -6.494 620 1HD2 ASN 72 1HD2 ASN 72 -13.808 8.947 -3.613 621 2HD2 ASN 72 2HD2 ASN 72 -13.713 10.407 -2.690 622 H PHE 73 H PHE 73 -17.173 6.705 -5.833 623 HA PHE 73 HA PHE 73 -17.688 7.111 -8.691 624 1HB PHE 73 2HB PHE 73 -17.340 4.494 -8.691 625 2HB PHE 73 1HB PHE 73 -15.959 5.582 -8.757 626 HD1 PHE 73 1HD PHE 73 -17.801 3.178 -6.706 627 HD2 PHE 73 2HD PHE 73 -14.480 5.840 -6.849 628 HE1 PHE 73 1HE PHE 73 -16.859 2.109 -4.703 629 HE2 PHE 73 2HE PHE 73 -13.536 4.773 -4.844 630 HZ PHE 73 HZ PHE 73 -14.721 2.904 -3.769 Start of MODEL 10 1 1H PHE 1 1HT PHE 1 24.740 -17.443 8.347 2 2H PHE 1 2HT PHE 1 26.239 -16.654 8.315 3 3H PHE 1 3HT PHE 1 26.140 -18.289 7.892 4 HA PHE 1 HA PHE 1 26.376 -16.946 5.933 5 1HB PHE 1 2HB PHE 1 23.618 -18.147 6.304 6 2HB PHE 1 1HB PHE 1 24.275 -17.662 4.745 7 HD1 PHE 1 1HD PHE 1 24.306 -20.163 7.375 8 HD2 PHE 1 2HD PHE 1 26.146 -18.888 3.755 9 HE1 PHE 1 1HE PHE 1 25.344 -22.380 7.129 10 HE2 PHE 1 2HE PHE 1 27.187 -21.103 3.502 11 HZ PHE 1 HZ PHE 1 26.786 -22.852 5.193 12 HA PRO 2 HA PRO 2 24.583 -12.899 6.019 13 1HB PRO 2 2HB PRO 2 24.778 -12.812 3.110 14 2HB PRO 2 1HB PRO 2 25.693 -11.904 4.315 15 1HG PRO 2 2HG PRO 2 26.809 -13.842 2.785 16 2HG PRO 2 1HG PRO 2 27.360 -13.484 4.433 17 1HD PRO 2 2HD PRO 2 25.571 -15.681 3.462 18 2HD PRO 2 1HD PRO 2 26.878 -15.742 4.666 19 H MET 3 H MET 3 22.485 -12.554 6.299 20 HA MET 3 HA MET 3 20.457 -13.994 4.908 21 1HB MET 3 2HB MET 3 20.295 -11.542 6.674 22 2HB MET 3 1HB MET 3 18.895 -12.408 6.055 23 1HG MET 3 2HG MET 3 19.596 -14.411 7.256 24 2HG MET 3 1HG MET 3 21.009 -13.554 7.869 25 1HE MET 3 1HE MET 3 18.878 -15.122 9.663 26 2HE MET 3 2HE MET 3 18.682 -14.006 11.012 27 3HE MET 3 3HE MET 3 20.287 -14.306 10.344 28 H PHE 4 H PHE 4 19.051 -13.300 3.309 29 HA PHE 4 HA PHE 4 20.208 -11.485 1.435 30 1HB PHE 4 2HB PHE 4 17.570 -12.955 1.458 31 2HB PHE 4 1HB PHE 4 18.096 -11.931 0.125 32 HD1 PHE 4 1HD PHE 4 18.468 -15.142 1.769 33 HD2 PHE 4 2HD PHE 4 20.054 -12.561 -1.220 34 HE1 PHE 4 1HE PHE 4 19.702 -17.035 0.796 35 HE2 PHE 4 2HE PHE 4 21.292 -14.451 -2.195 36 HZ PHE 4 HZ PHE 4 21.117 -16.694 -1.186 37 H LYS 5 H LYS 5 19.736 -9.431 1.021 38 HA LYS 5 HA LYS 5 18.408 -7.863 2.943 39 1HB LYS 5 2HB LYS 5 18.737 -6.008 1.302 40 2HB LYS 5 1HB LYS 5 20.203 -6.905 1.670 41 1HG LYS 5 2HG LYS 5 19.676 -8.250 -0.453 42 2HG LYS 5 1HG LYS 5 18.561 -6.935 -0.833 43 1HD LYS 5 2HD LYS 5 20.384 -5.329 -0.701 44 2HD LYS 5 1HD LYS 5 21.507 -6.620 -0.268 45 1HE LYS 5 2HE LYS 5 20.910 -7.713 -2.461 46 2HE LYS 5 1HE LYS 5 20.053 -6.229 -2.876 47 1HZ LYS 5 1HZ LYS 5 22.260 -6.186 -3.792 48 2HZ LYS 5 2HZ LYS 5 22.952 -6.484 -2.276 49 3HZ LYS 5 3HZ LYS 5 22.154 -5.013 -2.569 50 H ARG 6 H ARG 6 16.523 -6.597 2.746 51 HA ARG 6 HA ARG 6 14.309 -6.257 2.341 52 1HB ARG 6 2HB ARG 6 14.706 -7.716 -0.280 53 2HB ARG 6 1HB ARG 6 13.387 -6.634 0.138 54 1HG ARG 6 2HG ARG 6 14.900 -4.749 0.188 55 2HG ARG 6 1HG ARG 6 16.271 -5.816 -0.120 56 1HD ARG 6 2HD ARG 6 15.102 -6.489 -2.261 57 2HD ARG 6 1HD ARG 6 13.981 -5.162 -1.963 58 HE ARG 6 HE ARG 6 16.661 -4.246 -1.851 59 1HH1 ARG 6 1HH1 ARG 6 14.175 -5.245 -4.115 60 2HH1 ARG 6 2HH1 ARG 6 14.838 -4.332 -5.435 61 1HH2 ARG 6 1HH2 ARG 6 17.558 -3.084 -3.613 62 2HH2 ARG 6 2HH2 ARG 6 16.741 -3.105 -5.155 63 H GLY 7 H GLY 7 12.298 -7.845 1.329 64 1HA GLY 7 2HA GLY 7 11.900 -10.338 1.291 65 2HA GLY 7 1HA GLY 7 12.666 -10.334 2.872 66 H ARG 8 H ARG 8 11.491 -9.843 4.651 67 HA ARG 8 HA ARG 8 9.640 -9.719 5.955 68 1HB ARG 8 2HB ARG 8 8.806 -7.836 3.751 69 2HB ARG 8 1HB ARG 8 7.778 -8.161 5.139 70 1HG ARG 8 2HG ARG 8 10.560 -7.015 5.248 71 2HG ARG 8 1HG ARG 8 9.055 -6.108 5.421 72 1HD ARG 8 2HD ARG 8 8.494 -7.581 7.361 73 2HD ARG 8 1HD ARG 8 10.116 -8.260 7.238 74 HE ARG 8 HE ARG 8 9.939 -5.368 7.509 75 1HH1 ARG 8 1HH1 ARG 8 10.586 -8.469 9.006 76 2HH1 ARG 8 2HH1 ARG 8 11.226 -7.769 10.469 77 1HH2 ARG 8 1HH2 ARG 8 10.791 -4.455 9.402 78 2HH2 ARG 8 2HH2 ARG 8 11.340 -5.481 10.689 79 H CYS 9 H CYS 9 7.362 -9.173 3.498 80 HA CYS 9 HA CYS 9 6.768 -12.032 3.210 81 1HB CYS 9 2HB CYS 9 4.695 -9.863 3.683 82 2HB CYS 9 1HB CYS 9 4.364 -11.587 3.474 83 H LEU 10 H LEU 10 8.142 -9.961 1.676 84 HA LEU 10 HA LEU 10 8.476 -9.478 -0.519 85 1HB LEU 10 2HB LEU 10 7.150 -11.424 -1.230 86 2HB LEU 10 1HB LEU 10 5.680 -10.487 -1.042 87 HG LEU 10 HG LEU 10 6.682 -8.875 -2.775 88 1HD1 LEU 10 1HD1 LEU 10 8.298 -9.860 -4.313 89 2HD1 LEU 10 2HD1 LEU 10 8.434 -11.283 -3.280 90 3HD1 LEU 10 3HD1 LEU 10 8.968 -9.708 -2.690 91 1HD2 LEU 10 1HD2 LEU 10 5.884 -11.684 -3.566 92 2HD2 LEU 10 2HD2 LEU 10 5.893 -10.284 -4.638 93 3HD2 LEU 10 3HD2 LEU 10 4.799 -10.331 -3.256 94 H CYS 11 H CYS 11 7.907 -7.830 -1.981 95 HA CYS 11 HA CYS 11 7.268 -5.843 -2.678 96 1HB CYS 11 2HB CYS 11 4.957 -5.178 -2.573 97 2HB CYS 11 1HB CYS 11 5.102 -6.880 -2.970 98 H ILE 12 H ILE 12 7.560 -3.841 -2.264 99 HA ILE 12 HA ILE 12 7.100 -2.349 0.001 100 HB ILE 12 HB ILE 12 8.533 -4.097 1.115 101 1HG1 ILE 12 2HG1 ILE 12 8.349 -1.542 1.743 102 2HG1 ILE 12 1HG1 ILE 12 9.453 -2.608 2.601 103 1HG2 ILE 12 1HG2 ILE 12 10.075 -4.600 -0.638 104 2HG2 ILE 12 2HG2 ILE 12 10.977 -3.991 0.751 105 3HG2 ILE 12 3HG2 ILE 12 10.682 -2.943 -0.636 106 1HD1 ILE 12 1HD1 ILE 12 10.491 -0.478 2.091 107 2HD1 ILE 12 2HD1 ILE 12 10.185 -0.721 0.371 108 3HD1 ILE 12 3HD1 ILE 12 11.298 -1.788 1.229 109 H GLY 13 H GLY 13 8.041 -0.242 -0.236 110 1HA GLY 13 2HA GLY 13 10.084 0.683 -1.652 111 2HA GLY 13 1HA GLY 13 9.013 0.211 -2.940 112 HA PRO 14 HA PRO 14 6.866 3.981 -2.817 113 1HB PRO 14 2HB PRO 14 4.291 2.529 -2.869 114 2HB PRO 14 1HB PRO 14 5.027 3.556 -4.105 115 1HG PRO 14 2HG PRO 14 4.872 0.886 -4.386 116 2HG PRO 14 1HG PRO 14 6.244 1.820 -5.010 117 1HD PRO 14 2HD PRO 14 6.025 0.217 -2.494 118 2HD PRO 14 1HD PRO 14 7.361 0.282 -3.659 119 H GLY 15 H GLY 15 7.288 4.718 -0.796 120 1HA GLY 15 2HA GLY 15 5.506 3.866 1.382 121 2HA GLY 15 1HA GLY 15 7.078 4.618 1.596 122 H VAL 16 H VAL 16 3.778 5.053 1.476 123 HA VAL 16 HA VAL 16 2.328 6.760 1.536 124 HB VAL 16 HB VAL 16 2.813 8.541 3.170 125 1HG1 VAL 16 1HG1 VAL 16 3.417 5.712 4.014 126 2HG1 VAL 16 2HG1 VAL 16 1.824 6.458 3.866 127 3HG1 VAL 16 3HG1 VAL 16 2.951 7.019 5.103 128 1HG2 VAL 16 1HG2 VAL 16 4.848 8.427 4.521 129 2HG2 VAL 16 2HG2 VAL 16 5.219 8.793 2.836 130 3HG2 VAL 16 3HG2 VAL 16 5.483 7.166 3.465 131 H LYS 17 H LYS 17 1.721 7.889 -0.054 132 HA LYS 17 HA LYS 17 3.336 10.206 -0.857 133 1HB LYS 17 2HB LYS 17 3.564 8.491 -2.592 134 2HB LYS 17 1HB LYS 17 1.815 8.365 -2.715 135 1HG LYS 17 2HG LYS 17 2.750 9.688 -4.534 136 2HG LYS 17 1HG LYS 17 1.682 10.652 -3.513 137 1HD LYS 17 2HD LYS 17 3.700 11.482 -2.307 138 2HD LYS 17 1HD LYS 17 4.695 10.635 -3.494 139 1HE LYS 17 2HE LYS 17 3.721 11.971 -5.282 140 2HE LYS 17 1HE LYS 17 2.683 12.794 -4.117 141 1HZ LYS 17 1HZ LYS 17 4.601 14.131 -4.647 142 2HZ LYS 17 2HZ LYS 17 5.647 12.882 -4.179 143 3HZ LYS 17 3HZ LYS 17 4.669 13.646 -3.022 144 H ALA 18 H ALA 18 0.159 8.660 -0.912 145 HA ALA 18 HA ALA 18 -1.943 9.441 -0.648 146 1HB ALA 18 1HB ALA 18 -0.657 11.943 0.437 147 2HB ALA 18 2HB ALA 18 -1.072 10.512 1.382 148 3HB ALA 18 3HB ALA 18 -2.345 11.468 0.622 149 H VAL 19 H VAL 19 -2.432 9.442 -2.786 150 HA VAL 19 HA VAL 19 -2.337 12.025 -4.178 151 HB VAL 19 HB VAL 19 -2.810 10.685 -6.258 152 1HG1 VAL 19 1HG1 VAL 19 -0.573 11.488 -5.777 153 2HG1 VAL 19 2HG1 VAL 19 -0.497 9.880 -6.501 154 3HG1 VAL 19 3HG1 VAL 19 -0.262 10.077 -4.764 155 1HG2 VAL 19 1HG2 VAL 19 -3.689 8.670 -5.124 156 2HG2 VAL 19 2HG2 VAL 19 -2.066 8.333 -4.519 157 3HG2 VAL 19 3HG2 VAL 19 -2.383 8.307 -6.253 158 H LYS 20 H LYS 20 -4.449 10.832 -6.021 159 HA LYS 20 HA LYS 20 -6.726 11.906 -4.752 160 1HB LYS 20 2HB LYS 20 -6.690 9.939 -7.048 161 2HB LYS 20 1HB LYS 20 -7.992 11.040 -6.631 162 1HG LYS 20 2HG LYS 20 -7.027 12.092 -8.433 163 2HG LYS 20 1HG LYS 20 -6.219 12.889 -7.083 164 1HD LYS 20 2HD LYS 20 -4.265 11.533 -7.368 165 2HD LYS 20 1HD LYS 20 -5.080 10.514 -8.552 166 1HE LYS 20 2HE LYS 20 -3.604 12.016 -9.708 167 2HE LYS 20 1HE LYS 20 -5.270 12.485 -10.047 168 1HZ LYS 20 1HZ LYS 20 -3.468 13.784 -8.074 169 2HZ LYS 20 2HZ LYS 20 -5.075 14.233 -8.384 170 3HZ LYS 20 3HZ LYS 20 -3.899 14.411 -9.593 171 H VAL 21 H VAL 21 -7.308 10.974 -2.837 172 HA VAL 21 HA VAL 21 -6.545 8.393 -2.085 173 HB VAL 21 HB VAL 21 -7.956 8.729 -0.075 174 1HG1 VAL 21 1HG1 VAL 21 -5.671 9.598 -0.182 175 2HG1 VAL 21 2HG1 VAL 21 -6.710 10.646 0.784 176 3HG1 VAL 21 3HG1 VAL 21 -6.274 11.110 -0.862 177 1HG2 VAL 21 1HG2 VAL 21 -9.133 10.858 0.226 178 2HG2 VAL 21 2HG2 VAL 21 -9.811 9.935 -1.116 179 3HG2 VAL 21 3HG2 VAL 21 -8.749 11.306 -1.436 180 H ALA 22 H ALA 22 -9.362 9.320 -3.827 181 HA ALA 22 HA ALA 22 -10.473 6.632 -3.330 182 1HB ALA 22 1HB ALA 22 -12.679 7.528 -3.907 183 2HB ALA 22 2HB ALA 22 -11.973 9.127 -4.148 184 3HB ALA 22 3HB ALA 22 -11.978 8.397 -2.541 185 H ASP 23 H ASP 23 -8.420 7.532 -5.198 186 HA ASP 23 HA ASP 23 -9.653 6.478 -7.658 187 1HB ASP 23 2HB ASP 23 -9.155 9.045 -7.652 188 2HB ASP 23 1HB ASP 23 -7.471 8.559 -7.729 189 H ILE 24 H ILE 24 -6.696 7.303 -5.973 190 HA ILE 24 HA ILE 24 -5.489 4.706 -6.401 191 HB ILE 24 HB ILE 24 -3.351 6.064 -7.195 192 1HG1 ILE 24 2HG1 ILE 24 -5.663 7.766 -8.209 193 2HG1 ILE 24 1HG1 ILE 24 -4.509 8.264 -6.980 194 1HG2 ILE 24 1HG2 ILE 24 -5.658 5.360 -9.017 195 2HG2 ILE 24 2HG2 ILE 24 -4.460 4.234 -8.369 196 3HG2 ILE 24 3HG2 ILE 24 -3.965 5.507 -9.492 197 1HD1 ILE 24 1HD1 ILE 24 -2.716 8.150 -8.621 198 2HD1 ILE 24 2HD1 ILE 24 -3.999 9.251 -9.124 199 3HD1 ILE 24 3HD1 ILE 24 -3.874 7.648 -9.850 200 H GLU 25 H GLU 25 -3.298 4.745 -5.256 201 HA GLU 25 HA GLU 25 -2.640 4.485 -3.108 202 1HB GLU 25 2HB GLU 25 -2.045 6.860 -3.369 203 2HB GLU 25 1HB GLU 25 -3.677 7.332 -2.925 204 1HG GLU 25 2HG GLU 25 -2.467 7.712 -0.992 205 2HG GLU 25 1HG GLU 25 -3.205 6.141 -0.701 206 H LYS 26 H LYS 26 -4.377 2.996 -3.308 207 HA LYS 26 HA LYS 26 -6.419 3.294 -1.267 208 1HB LYS 26 2HB LYS 26 -6.961 2.593 -4.159 209 2HB LYS 26 1HB LYS 26 -8.059 2.138 -2.865 210 1HG LYS 26 2HG LYS 26 -8.195 4.596 -2.303 211 2HG LYS 26 1HG LYS 26 -7.354 4.890 -3.826 212 1HD LYS 26 2HD LYS 26 -9.997 3.466 -3.487 213 2HD LYS 26 1HD LYS 26 -9.760 5.089 -4.135 214 1HE LYS 26 2HE LYS 26 -9.662 4.142 -6.149 215 2HE LYS 26 1HE LYS 26 -8.091 3.505 -5.675 216 1HZ LYS 26 1HZ LYS 26 -9.273 1.657 -6.383 217 2HZ LYS 26 2HZ LYS 26 -10.717 2.154 -5.651 218 3HZ LYS 26 3HZ LYS 26 -9.437 1.577 -4.697 219 H ALA 27 H ALA 27 -5.583 1.721 0.005 220 HA ALA 27 HA ALA 27 -4.710 -0.796 -1.129 221 1HB ALA 27 1HB ALA 27 -3.385 0.097 0.617 222 2HB ALA 27 2HB ALA 27 -4.167 -1.361 1.228 223 3HB ALA 27 3HB ALA 27 -4.773 0.230 1.696 224 H SER 28 H SER 28 -6.056 -2.371 -1.514 225 HA SER 28 HA SER 28 -8.218 -2.926 0.379 226 1HB SER 28 2HB SER 28 -8.553 -2.924 -2.614 227 2HB SER 28 1HB SER 28 -9.795 -3.252 -1.411 228 HG SER 28 HG SER 28 -9.095 -1.009 -0.642 229 H ILE 29 H ILE 29 -6.484 -4.603 0.908 230 HA ILE 29 HA ILE 29 -7.672 -7.009 -0.073 231 HB ILE 29 HB ILE 29 -5.800 -6.745 -1.688 232 1HG1 ILE 29 2HG1 ILE 29 -5.489 -9.055 0.244 233 2HG1 ILE 29 1HG1 ILE 29 -6.642 -8.977 -1.084 234 1HG2 ILE 29 1HG2 ILE 29 -4.206 -5.570 -0.350 235 2HG2 ILE 29 2HG2 ILE 29 -3.491 -7.099 -0.868 236 3HG2 ILE 29 3HG2 ILE 29 -4.093 -6.920 0.781 237 1HD1 ILE 29 1HD1 ILE 29 -4.782 -8.905 -2.676 238 2HD1 ILE 29 2HD1 ILE 29 -4.743 -10.354 -1.670 239 3HD1 ILE 29 3HD1 ILE 29 -3.644 -9.017 -1.333 240 H MET 30 H MET 30 -7.283 -8.788 1.383 241 HA MET 30 HA MET 30 -5.619 -8.166 3.705 242 1HB MET 30 2HB MET 30 -7.913 -7.580 4.343 243 2HB MET 30 1HB MET 30 -8.462 -9.188 3.886 244 1HG MET 30 2HG MET 30 -7.061 -10.166 5.629 245 2HG MET 30 1HG MET 30 -6.512 -8.554 6.090 246 1HE MET 30 1HE MET 30 -9.248 -6.922 5.671 247 2HE MET 30 2HE MET 30 -8.191 -6.663 7.058 248 3HE MET 30 3HE MET 30 -9.915 -6.949 7.302 249 H TYR 31 H TYR 31 -4.119 -9.620 2.814 250 HA TYR 31 HA TYR 31 -4.730 -12.387 3.468 251 1HB TYR 31 2HB TYR 31 -5.198 -11.864 0.945 252 2HB TYR 31 1HB TYR 31 -3.447 -11.822 0.815 253 HD1 TYR 31 1HD TYR 31 -6.224 -14.002 1.975 254 HD2 TYR 31 2HD TYR 31 -2.264 -13.795 0.438 255 HE1 TYR 31 1HE TYR 31 -6.195 -16.448 1.735 256 HE2 TYR 31 2HE TYR 31 -2.225 -16.240 0.194 257 HH TYR 31 HH TYR 31 -5.060 -18.152 0.499 258 HA PRO 32 HA PRO 32 -0.656 -11.995 5.183 259 1HB PRO 32 2HB PRO 32 -0.040 -14.648 5.275 260 2HB PRO 32 1HB PRO 32 -1.132 -13.847 6.413 261 1HG PRO 32 2HG PRO 32 -1.787 -15.401 3.937 262 2HG PRO 32 1HG PRO 32 -2.506 -15.536 5.557 263 1HD PRO 32 2HD PRO 32 -3.769 -14.137 3.668 264 2HD PRO 32 1HD PRO 32 -3.682 -13.519 5.333 265 H SER 33 H SER 33 -0.749 -11.604 2.327 266 HA SER 33 HA SER 33 0.728 -11.275 0.658 267 1HB SER 33 2HB SER 33 2.900 -10.909 1.254 268 2HB SER 33 1HB SER 33 2.202 -11.022 2.871 269 HG SER 33 HG SER 33 4.027 -12.610 1.673 270 H ASN 34 H ASN 34 -0.060 -14.243 1.726 271 HA ASN 34 HA ASN 34 -0.014 -16.345 0.928 272 1HB ASN 34 2HB ASN 34 -0.565 -15.259 -1.228 273 2HB ASN 34 1HB ASN 34 1.148 -15.090 -1.574 274 1HD2 ASN 34 1HD2 ASN 34 2.254 -16.794 -2.404 275 2HD2 ASN 34 2HD2 ASN 34 1.525 -18.314 -2.808 276 H ASN 35 H ASN 35 2.589 -14.736 1.882 277 HA ASN 35 HA ASN 35 4.256 -17.155 1.738 278 1HB ASN 35 2HB ASN 35 4.972 -15.401 -0.004 279 2HB ASN 35 1HB ASN 35 5.427 -14.389 1.359 280 1HD2 ASN 35 1HD2 ASN 35 7.276 -14.871 2.509 281 2HD2 ASN 35 2HD2 ASN 35 8.411 -16.074 2.005 282 H CYS 36 H CYS 36 2.454 -15.780 3.609 283 HA CYS 36 HA CYS 36 4.177 -15.599 5.903 284 1HB CYS 36 2HB CYS 36 3.255 -13.231 4.464 285 2HB CYS 36 1HB CYS 36 2.894 -13.207 6.200 286 H ASP 37 H ASP 37 2.783 -14.511 7.698 287 HA ASP 37 HA ASP 37 0.106 -15.765 7.660 288 1HB ASP 37 2HB ASP 37 2.068 -15.510 9.947 289 2HB ASP 37 1HB ASP 37 0.370 -15.919 10.172 290 H LYS 38 H LYS 38 1.762 -13.039 7.475 291 HA LYS 38 HA LYS 38 -0.285 -11.485 8.854 292 1HB LYS 38 2HB LYS 38 1.342 -9.727 9.213 293 2HB LYS 38 1HB LYS 38 1.877 -11.229 9.931 294 1HG LYS 38 2HG LYS 38 3.326 -11.574 7.915 295 2HG LYS 38 1HG LYS 38 2.889 -9.925 7.446 296 1HD LYS 38 2HD LYS 38 3.939 -8.977 9.313 297 2HD LYS 38 1HD LYS 38 3.986 -10.510 10.179 298 1HE LYS 38 2HE LYS 38 5.581 -9.886 7.697 299 2HE LYS 38 1HE LYS 38 6.199 -9.764 9.344 300 1HZ LYS 38 1HZ LYS 38 5.811 -12.126 9.641 301 2HZ LYS 38 2HZ LYS 38 6.809 -11.866 8.297 302 3HZ LYS 38 3HZ LYS 38 5.179 -12.250 8.076 303 H ILE 39 H ILE 39 -0.802 -9.489 7.775 304 HA ILE 39 HA ILE 39 -1.406 -10.519 5.124 305 HB ILE 39 HB ILE 39 -3.353 -9.117 5.118 306 1HG1 ILE 39 2HG1 ILE 39 -2.399 -8.043 7.791 307 2HG1 ILE 39 1HG1 ILE 39 -2.337 -7.153 6.274 308 1HG2 ILE 39 1HG2 ILE 39 -2.976 -10.512 7.764 309 2HG2 ILE 39 2HG2 ILE 39 -3.508 -11.248 6.253 310 3HG2 ILE 39 3HG2 ILE 39 -4.526 -10.055 7.058 311 1HD1 ILE 39 1HD1 ILE 39 -4.770 -7.222 6.133 312 2HD1 ILE 39 2HD1 ILE 39 -4.228 -6.464 7.632 313 3HD1 ILE 39 3HD1 ILE 39 -4.831 -8.121 7.648 314 H GLU 40 H GLU 40 -1.735 -9.108 3.343 315 HA GLU 40 HA GLU 40 0.192 -6.896 3.205 316 1HB GLU 40 2HB GLU 40 0.324 -7.421 0.790 317 2HB GLU 40 1HB GLU 40 0.754 -8.803 1.786 318 1HG GLU 40 2HG GLU 40 -1.185 -9.948 1.312 319 2HG GLU 40 1HG GLU 40 -2.028 -8.504 0.758 320 H VAL 41 H VAL 41 -0.418 -5.104 1.804 321 HA VAL 41 HA VAL 41 -3.292 -4.959 1.192 322 HB VAL 41 HB VAL 41 -2.989 -2.400 1.470 323 1HG1 VAL 41 1HG1 VAL 41 -3.182 -4.238 3.848 324 2HG1 VAL 41 2HG1 VAL 41 -4.509 -3.710 2.811 325 3HG1 VAL 41 3HG1 VAL 41 -3.668 -2.542 3.830 326 1HG2 VAL 41 1HG2 VAL 41 -1.440 -1.723 3.211 327 2HG2 VAL 41 2HG2 VAL 41 -0.577 -2.435 1.846 328 3HG2 VAL 41 3HG2 VAL 41 -0.822 -3.373 3.320 329 H ILE 42 H ILE 42 -3.836 -4.216 -0.803 330 HA ILE 42 HA ILE 42 -1.575 -3.658 -2.576 331 HB ILE 42 HB ILE 42 -4.385 -4.545 -3.267 332 1HG1 ILE 42 2HG1 ILE 42 -1.715 -5.961 -3.488 333 2HG1 ILE 42 1HG1 ILE 42 -2.978 -6.322 -2.316 334 1HG2 ILE 42 1HG2 ILE 42 -2.033 -3.999 -5.077 335 2HG2 ILE 42 2HG2 ILE 42 -3.505 -3.035 -4.969 336 3HG2 ILE 42 3HG2 ILE 42 -3.577 -4.689 -5.580 337 1HD1 ILE 42 1HD1 ILE 42 -2.963 -7.930 -4.134 338 2HD1 ILE 42 2HD1 ILE 42 -3.200 -6.630 -5.301 339 3HD1 ILE 42 3HD1 ILE 42 -4.462 -7.003 -4.127 340 H ILE 43 H ILE 43 -1.256 -1.550 -2.281 341 HA ILE 43 HA ILE 43 -3.488 0.295 -2.745 342 HB ILE 43 HB ILE 43 -0.796 1.392 -2.214 343 1HG1 ILE 43 2HG1 ILE 43 -2.380 0.149 0.048 344 2HG1 ILE 43 1HG1 ILE 43 -0.904 -0.539 -0.622 345 1HG2 ILE 43 1HG2 ILE 43 -2.082 3.007 -0.950 346 2HG2 ILE 43 2HG2 ILE 43 -3.521 1.994 -1.076 347 3HG2 ILE 43 3HG2 ILE 43 -2.841 2.740 -2.527 348 1HD1 ILE 43 1HD1 ILE 43 0.269 1.564 -0.004 349 2HD1 ILE 43 2HD1 ILE 43 -0.339 0.629 1.366 350 3HD1 ILE 43 3HD1 ILE 43 -1.203 2.072 0.831 351 H THR 44 H THR 44 -2.965 2.076 -4.165 352 HA THR 44 HA THR 44 -1.094 1.297 -6.245 353 HB THR 44 HB THR 44 -3.052 0.311 -7.046 354 HG1 THR 44 1HG THR 44 -2.458 2.825 -8.134 355 1HG2 THR 44 1HG2 THR 44 -4.532 2.845 -6.341 356 2HG2 THR 44 2HG2 THR 44 -4.688 1.280 -5.542 357 3HG2 THR 44 3HG2 THR 44 -5.227 1.478 -7.211 358 H LEU 45 H LEU 45 0.197 3.091 -5.638 359 HA LEU 45 HA LEU 45 -1.125 5.668 -5.561 360 1HB LEU 45 2HB LEU 45 0.495 6.297 -4.152 361 2HB LEU 45 1HB LEU 45 0.996 4.621 -4.123 362 HG LEU 45 HG LEU 45 2.466 5.283 -6.157 363 1HD1 LEU 45 1HD1 LEU 45 1.993 7.979 -4.886 364 2HD1 LEU 45 2HD1 LEU 45 1.559 7.499 -6.527 365 3HD1 LEU 45 3HD1 LEU 45 3.256 7.615 -6.061 366 1HD2 LEU 45 1HD2 LEU 45 4.282 5.935 -4.648 367 2HD2 LEU 45 2HD2 LEU 45 3.343 4.589 -4.002 368 3HD2 LEU 45 3HD2 LEU 45 3.106 6.217 -3.362 369 H LYS 46 H LYS 46 -1.520 6.495 -7.462 370 HA LYS 46 HA LYS 46 0.360 5.828 -9.598 371 1HB LYS 46 2HB LYS 46 -2.547 6.565 -9.776 372 2HB LYS 46 1HB LYS 46 -1.500 6.438 -11.181 373 1HG LYS 46 2HG LYS 46 -2.112 4.212 -9.248 374 2HG LYS 46 1HG LYS 46 -2.842 4.424 -10.839 375 1HD LYS 46 2HD LYS 46 0.108 4.059 -10.346 376 2HD LYS 46 1HD LYS 46 -1.000 2.758 -10.779 377 1HE LYS 46 2HE LYS 46 -1.496 3.814 -12.881 378 2HE LYS 46 1HE LYS 46 -0.535 5.226 -12.437 379 1HZ LYS 46 1HZ LYS 46 0.692 3.771 -13.909 380 2HZ LYS 46 2HZ LYS 46 0.508 2.472 -12.835 381 3HZ LYS 46 3HZ LYS 46 1.431 3.821 -12.386 382 H GLU 47 H GLU 47 -0.480 7.755 -11.475 383 HA GLU 47 HA GLU 47 -0.038 9.869 -12.169 384 1HB GLU 47 2HB GLU 47 -1.363 10.681 -10.249 385 2HB GLU 47 1HB GLU 47 0.066 10.593 -9.230 386 1HG GLU 47 2HG GLU 47 -0.288 12.863 -9.872 387 2HG GLU 47 1HG GLU 47 1.156 12.265 -10.687 388 H ASN 48 H ASN 48 1.869 9.033 -9.301 389 HA ASN 48 HA ASN 48 4.278 9.993 -10.671 390 1HB ASN 48 2HB ASN 48 3.913 9.232 -7.766 391 2HB ASN 48 1HB ASN 48 5.334 9.987 -8.476 392 1HD2 ASN 48 1HD2 ASN 48 2.099 10.457 -7.353 393 2HD2 ASN 48 2HD2 ASN 48 2.099 12.188 -7.423 394 H LYS 49 H LYS 49 2.783 7.146 -9.269 395 HA LYS 49 HA LYS 49 4.991 5.520 -10.284 396 1HB LYS 49 2HB LYS 49 3.860 5.377 -7.502 397 2HB LYS 49 1HB LYS 49 4.906 4.146 -8.196 398 1HG LYS 49 2HG LYS 49 6.619 5.892 -8.551 399 2HG LYS 49 1HG LYS 49 5.590 7.030 -7.690 400 1HD LYS 49 2HD LYS 49 5.717 5.663 -5.687 401 2HD LYS 49 1HD LYS 49 6.688 4.463 -6.546 402 1HE LYS 49 2HE LYS 49 8.444 6.112 -6.894 403 2HE LYS 49 1HE LYS 49 7.472 7.340 -6.090 404 1HZ LYS 49 1HZ LYS 49 9.175 6.405 -4.643 405 2HZ LYS 49 2HZ LYS 49 8.493 4.861 -4.811 406 3HZ LYS 49 3HZ LYS 49 7.623 6.098 -4.043 407 H GLY 50 H GLY 50 3.512 3.306 -8.629 408 1HA GLY 50 2HA GLY 50 1.380 2.850 -10.598 409 2HA GLY 50 1HA GLY 50 2.646 1.646 -10.392 410 H GLN 51 H GLN 51 2.992 1.080 -7.943 411 HA GLN 51 HA GLN 51 0.394 0.892 -6.617 412 1HB GLN 51 2HB GLN 51 0.714 -1.523 -6.201 413 2HB GLN 51 1HB GLN 51 0.448 -1.152 -7.901 414 1HG GLN 51 2HG GLN 51 2.660 -1.600 -8.465 415 2HG GLN 51 1HG GLN 51 3.217 -1.423 -6.804 416 1HE2 GLN 51 1HE2 GLN 51 1.693 -3.530 -9.110 417 2HE2 GLN 51 2HE2 GLN 51 1.803 -4.971 -8.163 418 H ARG 52 H ARG 52 0.459 0.154 -4.487 419 HA ARG 52 HA ARG 52 3.099 0.301 -3.227 420 1HB ARG 52 2HB ARG 52 0.499 1.266 -2.030 421 2HB ARG 52 1HB ARG 52 2.067 1.285 -1.247 422 1HG ARG 52 2HG ARG 52 2.793 2.859 -3.105 423 2HG ARG 52 1HG ARG 52 1.086 2.958 -3.499 424 1HD ARG 52 2HD ARG 52 1.927 4.768 -1.976 425 2HD ARG 52 1HD ARG 52 0.530 3.866 -1.392 426 HE ARG 52 HE ARG 52 3.193 3.029 -0.509 427 1HH1 ARG 52 1HH1 ARG 52 0.127 4.576 0.223 428 2HH1 ARG 52 2HH1 ARG 52 0.368 4.496 1.947 429 1HH2 ARG 52 1HH2 ARG 52 3.480 2.884 1.744 430 2HH2 ARG 52 2HH2 ARG 52 2.264 3.507 2.823 431 H CYS 53 H CYS 53 3.365 -1.913 -3.070 432 HA CYS 53 HA CYS 53 1.338 -3.253 -1.435 433 1HB CYS 53 2HB CYS 53 2.030 -4.447 -3.504 434 2HB CYS 53 1HB CYS 53 3.682 -4.497 -2.891 435 H LEU 54 H LEU 54 1.707 -3.276 0.664 436 HA LEU 54 HA LEU 54 4.496 -3.288 1.575 437 1HB LEU 54 2HB LEU 54 3.620 -0.978 1.647 438 2HB LEU 54 1HB LEU 54 2.303 -1.519 2.671 439 HG LEU 54 HG LEU 54 3.978 -2.169 4.400 440 1HD1 LEU 54 1HD1 LEU 54 5.909 -0.743 2.573 441 2HD1 LEU 54 2HD1 LEU 54 5.894 -2.473 2.913 442 3HD1 LEU 54 3HD1 LEU 54 6.257 -1.324 4.201 443 1HD2 LEU 54 1HD2 LEU 54 2.797 -0.029 4.497 444 2HD2 LEU 54 2HD2 LEU 54 4.060 0.715 3.517 445 3HD2 LEU 54 3HD2 LEU 54 4.437 0.112 5.129 446 H ASN 55 H ASN 55 4.894 -4.515 3.327 447 HA ASN 55 HA ASN 55 2.672 -6.002 4.509 448 1HB ASN 55 2HB ASN 55 4.623 -7.300 3.780 449 2HB ASN 55 1HB ASN 55 5.667 -6.332 4.816 450 1HD2 ASN 55 1HD2 ASN 55 2.446 -7.570 5.585 451 2HD2 ASN 55 2HD2 ASN 55 2.970 -8.591 6.876 452 HA PRO 56 HA PRO 56 3.325 -2.955 7.782 453 1HB PRO 56 2HB PRO 56 0.721 -2.357 8.133 454 2HB PRO 56 1HB PRO 56 1.667 -1.724 6.784 455 1HG PRO 56 2HG PRO 56 -0.491 -3.696 6.761 456 2HG PRO 56 1HG PRO 56 0.221 -2.804 5.409 457 1HD PRO 56 2HD PRO 56 0.775 -5.521 6.319 458 2HD PRO 56 1HD PRO 56 1.262 -4.725 4.810 459 H LYS 57 H LYS 57 3.671 -3.498 9.824 460 HA LYS 57 HA LYS 57 2.288 -5.706 11.075 461 1HB LYS 57 2HB LYS 57 4.303 -3.741 12.190 462 2HB LYS 57 1HB LYS 57 3.730 -5.183 13.012 463 1HG LYS 57 2HG LYS 57 5.143 -5.266 10.360 464 2HG LYS 57 1HG LYS 57 5.979 -5.375 11.911 465 1HD LYS 57 2HD LYS 57 3.778 -7.241 11.020 466 2HD LYS 57 1HD LYS 57 5.502 -7.587 10.870 467 1HE LYS 57 2HE LYS 57 3.997 -7.087 13.437 468 2HE LYS 57 1HE LYS 57 4.581 -8.647 12.863 469 1HZ LYS 57 1HZ LYS 57 6.854 -7.757 12.980 470 2HZ LYS 57 2HZ LYS 57 6.087 -7.765 14.492 471 3HZ LYS 57 3HZ LYS 57 6.247 -6.314 13.637 472 H SER 58 H SER 58 2.185 -2.244 11.048 473 HA SER 58 HA SER 58 0.187 -2.168 13.187 474 1HB SER 58 2HB SER 58 0.449 0.356 12.816 475 2HB SER 58 1HB SER 58 1.852 -0.500 13.459 476 HG SER 58 HG SER 58 1.961 1.046 11.473 477 H LYS 59 H LYS 59 0.097 -2.889 10.092 478 HA LYS 59 HA LYS 59 -1.448 -2.910 8.442 479 1HB LYS 59 2HB LYS 59 -3.084 -3.207 10.314 480 2HB LYS 59 1HB LYS 59 -3.304 -1.462 10.340 481 1HG LYS 59 2HG LYS 59 -4.094 -1.547 8.010 482 2HG LYS 59 1HG LYS 59 -3.931 -3.305 8.037 483 1HD LYS 59 2HD LYS 59 -5.546 -3.420 9.879 484 2HD LYS 59 1HD LYS 59 -5.715 -1.664 9.840 485 1HE LYS 59 2HE LYS 59 -7.567 -2.585 8.656 486 2HE LYS 59 1HE LYS 59 -6.479 -1.874 7.466 487 1HZ LYS 59 1HZ LYS 59 -5.642 -4.058 6.939 488 2HZ LYS 59 2HZ LYS 59 -7.326 -4.059 6.791 489 3HZ LYS 59 3HZ LYS 59 -6.595 -4.767 8.148 490 H GLN 60 H GLN 60 -2.206 0.175 10.046 491 HA GLN 60 HA GLN 60 -1.971 2.338 9.457 492 1HB GLN 60 2HB GLN 60 0.383 1.626 8.983 493 2HB GLN 60 1HB GLN 60 -0.086 1.379 7.310 494 1HG GLN 60 2HG GLN 60 1.067 3.520 7.710 495 2HG GLN 60 1HG GLN 60 -0.548 3.710 7.029 496 1HE2 GLN 60 1HE2 GLN 60 -2.143 4.668 8.244 497 2HE2 GLN 60 2HE2 GLN 60 -1.825 5.478 9.739 498 H ALA 61 H ALA 61 -2.423 0.159 6.718 499 HA ALA 61 HA ALA 61 -3.797 1.999 5.075 500 1HB ALA 61 1HB ALA 61 -4.624 0.026 3.894 501 2HB ALA 61 2HB ALA 61 -4.056 -1.005 5.208 502 3HB ALA 61 3HB ALA 61 -2.899 -0.107 4.224 503 H ARG 62 H ARG 62 -4.507 0.851 8.052 504 HA ARG 62 HA ARG 62 -7.288 0.511 8.061 505 1HB ARG 62 2HB ARG 62 -5.808 -0.064 9.951 506 2HB ARG 62 1HB ARG 62 -5.449 1.639 10.189 507 1HG ARG 62 2HG ARG 62 -7.729 2.079 10.832 508 2HG ARG 62 1HG ARG 62 -8.194 0.421 10.452 509 1HD ARG 62 2HD ARG 62 -7.924 0.665 12.840 510 2HD ARG 62 1HD ARG 62 -6.655 -0.381 12.206 511 HE ARG 62 HE ARG 62 -5.483 2.055 12.221 512 1HH1 ARG 62 1HH1 ARG 62 -7.177 0.201 14.656 513 2HH1 ARG 62 2HH1 ARG 62 -6.313 0.911 15.986 514 1HH2 ARG 62 1HH2 ARG 62 -4.338 2.994 13.972 515 2HH2 ARG 62 2HH2 ARG 62 -4.702 2.490 15.596 516 H LEU 63 H LEU 63 -5.209 3.342 8.246 517 HA LEU 63 HA LEU 63 -7.399 5.179 8.561 518 1HB LEU 63 2HB LEU 63 -4.471 5.595 7.990 519 2HB LEU 63 1HB LEU 63 -5.618 6.911 8.186 520 HG LEU 63 HG LEU 63 -4.845 4.883 10.287 521 1HD1 LEU 63 1HD1 LEU 63 -3.121 6.538 9.876 522 2HD1 LEU 63 2HD1 LEU 63 -3.896 6.830 11.433 523 3HD1 LEU 63 3HD1 LEU 63 -4.302 7.836 10.042 524 1HD2 LEU 63 1HD2 LEU 63 -6.741 7.224 10.481 525 2HD2 LEU 63 2HD2 LEU 63 -6.246 6.170 11.807 526 3HD2 LEU 63 3HD2 LEU 63 -7.206 5.522 10.477 527 H ILE 64 H ILE 64 -5.809 3.646 5.986 528 HA ILE 64 HA ILE 64 -6.801 5.560 4.049 529 HB ILE 64 HB ILE 64 -5.325 2.958 3.552 530 1HG1 ILE 64 2HG1 ILE 64 -4.324 5.809 3.757 531 2HG1 ILE 64 1HG1 ILE 64 -3.895 4.457 4.799 532 1HG2 ILE 64 1HG2 ILE 64 -5.832 5.294 1.704 533 2HG2 ILE 64 2HG2 ILE 64 -6.635 3.725 1.624 534 3HG2 ILE 64 3HG2 ILE 64 -4.901 3.846 1.317 535 1HD1 ILE 64 1HD1 ILE 64 -2.105 4.970 3.246 536 2HD1 ILE 64 2HD1 ILE 64 -3.200 4.730 1.883 537 3HD1 ILE 64 3HD1 ILE 64 -2.773 3.370 2.923 538 H ILE 65 H ILE 65 -7.943 2.927 5.725 539 HA ILE 65 HA ILE 65 -9.439 1.578 3.756 540 HB ILE 65 HB ILE 65 -9.076 1.353 6.571 541 1HG1 ILE 65 2HG1 ILE 65 -8.756 -0.444 4.960 542 2HG1 ILE 65 1HG1 ILE 65 -9.928 -0.928 6.181 543 1HG2 ILE 65 1HG2 ILE 65 -11.314 0.761 7.337 544 2HG2 ILE 65 2HG2 ILE 65 -11.986 1.261 5.784 545 3HG2 ILE 65 3HG2 ILE 65 -11.242 2.457 6.844 546 1HD1 ILE 65 1HD1 ILE 65 -10.613 -1.646 3.962 547 2HD1 ILE 65 2HD1 ILE 65 -10.571 0.025 3.396 548 3HD1 ILE 65 3HD1 ILE 65 -11.744 -0.461 4.618 549 H LYS 66 H LYS 66 -10.145 4.319 5.851 550 HA LYS 66 HA LYS 66 -12.816 4.566 4.813 551 1HB LYS 66 2HB LYS 66 -11.173 6.387 6.578 552 2HB LYS 66 1HB LYS 66 -12.849 6.686 6.139 553 1HG LYS 66 2HG LYS 66 -13.548 4.678 7.274 554 2HG LYS 66 1HG LYS 66 -11.870 4.262 7.629 555 1HD LYS 66 2HD LYS 66 -11.641 6.207 9.032 556 2HD LYS 66 1HD LYS 66 -13.260 6.757 8.595 557 1HE LYS 66 2HE LYS 66 -12.663 4.157 10.000 558 2HE LYS 66 1HE LYS 66 -13.125 5.647 10.820 559 1HZ LYS 66 1HZ LYS 66 -15.013 4.160 10.461 560 2HZ LYS 66 2HZ LYS 66 -14.777 4.240 8.785 561 3HZ LYS 66 3HZ LYS 66 -15.217 5.631 9.645 562 H LYS 67 H LYS 67 -9.890 5.115 3.555 563 HA LYS 67 HA LYS 67 -10.623 7.545 2.108 564 1HB LYS 67 2HB LYS 67 -8.071 5.931 1.933 565 2HB LYS 67 1HB LYS 67 -8.365 7.485 1.169 566 1HG LYS 67 2HG LYS 67 -8.260 6.976 4.133 567 2HG LYS 67 1HG LYS 67 -6.980 7.701 3.162 568 1HD LYS 67 2HD LYS 67 -8.431 9.577 2.616 569 2HD LYS 67 1HD LYS 67 -9.754 8.837 3.521 570 1HE LYS 67 2HE LYS 67 -8.692 10.559 4.857 571 2HE LYS 67 1HE LYS 67 -8.404 8.973 5.571 572 1HZ LYS 67 1HZ LYS 67 -6.374 10.172 5.637 573 2HZ LYS 67 2HZ LYS 67 -6.494 10.621 4.008 574 3HZ LYS 67 3HZ LYS 67 -6.203 9.006 4.420 575 H VAL 68 H VAL 68 -9.634 4.200 1.570 576 HA VAL 68 HA VAL 68 -10.315 4.090 -1.166 577 HB VAL 68 HB VAL 68 -10.371 1.746 0.744 578 1HG1 VAL 68 1HG1 VAL 68 -11.311 1.327 -1.449 579 2HG1 VAL 68 2HG1 VAL 68 -9.784 0.468 -1.248 580 3HG1 VAL 68 3HG1 VAL 68 -9.847 1.944 -2.212 581 1HG2 VAL 68 1HG2 VAL 68 -8.002 2.907 -0.710 582 2HG2 VAL 68 2HG2 VAL 68 -8.020 1.398 0.204 583 3HG2 VAL 68 3HG2 VAL 68 -8.269 2.934 1.035 584 H GLU 69 H GLU 69 -12.114 3.749 1.809 585 HA GLU 69 HA GLU 69 -14.377 2.452 0.688 586 1HB GLU 69 2HB GLU 69 -13.709 2.600 3.157 587 2HB GLU 69 1HB GLU 69 -14.450 4.196 3.138 588 1HG GLU 69 2HG GLU 69 -16.560 3.164 2.371 589 2HG GLU 69 1HG GLU 69 -15.792 1.587 2.525 590 H ARG 70 H ARG 70 -13.247 5.625 0.436 591 HA ARG 70 HA ARG 70 -15.749 6.971 0.156 592 1HB ARG 70 2HB ARG 70 -12.961 7.680 -0.763 593 2HB ARG 70 1HB ARG 70 -14.334 8.761 -0.910 594 1HG ARG 70 2HG ARG 70 -14.591 8.746 1.527 595 2HG ARG 70 1HG ARG 70 -13.177 7.695 1.652 596 1HD ARG 70 2HD ARG 70 -12.439 9.921 2.054 597 2HD ARG 70 1HD ARG 70 -11.881 9.456 0.445 598 HE ARG 70 HE ARG 70 -14.363 10.758 0.215 599 1HH1 ARG 70 1HH1 ARG 70 -11.012 11.445 0.974 600 2HH1 ARG 70 2HH1 ARG 70 -11.083 13.091 0.424 601 1HH2 ARG 70 1HH2 ARG 70 -14.476 12.952 -0.465 602 2HH2 ARG 70 2HH2 ARG 70 -13.048 13.943 -0.386 603 H LYS 71 H LYS 71 -14.099 4.746 -1.745 604 HA LYS 71 HA LYS 71 -15.626 5.558 -4.128 605 1HB LYS 71 2HB LYS 71 -13.119 6.007 -4.245 606 2HB LYS 71 1HB LYS 71 -12.900 4.265 -4.198 607 1HG LYS 71 2HG LYS 71 -12.768 4.951 -6.461 608 2HG LYS 71 1HG LYS 71 -14.306 4.109 -6.255 609 1HD LYS 71 2HD LYS 71 -15.506 6.177 -6.197 610 2HD LYS 71 1HD LYS 71 -14.006 7.105 -6.137 611 1HE LYS 71 2HE LYS 71 -14.889 5.363 -8.436 612 2HE LYS 71 1HE LYS 71 -15.034 7.118 -8.374 613 1HZ LYS 71 1HZ LYS 71 -13.082 6.376 -9.621 614 2HZ LYS 71 2HZ LYS 71 -12.468 5.621 -8.232 615 3HZ LYS 71 3HZ LYS 71 -12.649 7.305 -8.273 616 H ASN 72 H ASN 72 -16.829 3.957 -5.004 617 HA ASN 72 HA ASN 72 -16.718 1.315 -3.822 618 1HB ASN 72 2HB ASN 72 -18.553 2.588 -5.850 619 2HB ASN 72 1HB ASN 72 -18.653 0.882 -5.431 620 1HD2 ASN 72 1HD2 ASN 72 -17.964 1.281 -2.654 621 2HD2 ASN 72 2HD2 ASN 72 -19.345 2.005 -1.902 622 H PHE 73 H PHE 73 -14.881 2.736 -5.998 623 HA PHE 73 HA PHE 73 -14.563 0.312 -7.633 624 1HB PHE 73 2HB PHE 73 -13.826 3.164 -8.355 625 2HB PHE 73 1HB PHE 73 -13.571 1.749 -9.370 626 HD1 PHE 73 1HD PHE 73 -15.489 0.589 -10.381 627 HD2 PHE 73 2HD PHE 73 -15.968 4.198 -8.183 628 HE1 PHE 73 1HE PHE 73 -17.722 0.889 -11.368 629 HE2 PHE 73 2HE PHE 73 -18.202 4.508 -9.168 630 HZ PHE 73 HZ PHE 73 -19.081 2.850 -10.765
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