NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6277 | 1iqo | 5129 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LEU 1 1H LEU 1 -11.854 18.124 -9.765 2 2H LEU 1 2H LEU 1 -12.972 18.999 -8.801 3 3H LEU 1 3H LEU 1 -12.638 17.353 -8.451 4 HA LEU 1 HA LEU 1 -10.283 18.055 -8.121 5 1HB LEU 1 2HB LEU 1 -11.260 20.402 -9.143 6 2HB LEU 1 1HB LEU 1 -11.256 20.739 -7.423 7 HG LEU 1 HG LEU 1 -8.880 20.290 -7.288 8 1HD1 LEU 1 1HD1 LEU 1 -8.300 18.638 -8.750 9 2HD1 LEU 1 2HD1 LEU 1 -7.758 20.044 -9.665 10 3HD1 LEU 1 3HD1 LEU 1 -9.300 19.282 -10.051 11 1HD2 LEU 1 1HD2 LEU 1 -8.058 22.087 -8.826 12 2HD2 LEU 1 2HD2 LEU 1 -9.437 22.545 -7.826 13 3HD2 LEU 1 3HD2 LEU 1 -9.676 22.142 -9.526 14 H PHE 2 H PHE 2 -10.829 16.618 -6.452 15 HA PHE 2 HA PHE 2 -11.206 17.817 -3.906 16 1HB PHE 2 2HB PHE 2 -13.544 17.875 -4.563 17 2HB PHE 2 1HB PHE 2 -13.494 16.172 -5.006 18 HD1 PHE 2 HD1 PHE 2 -12.725 18.313 -2.043 19 HD2 PHE 2 HD2 PHE 2 -14.411 14.694 -3.521 20 HE1 PHE 2 HE1 PHE 2 -13.407 17.702 0.241 21 HE2 PHE 2 HE2 PHE 2 -15.096 14.079 -1.239 22 HZ PHE 2 HZ PHE 2 -14.594 15.583 0.645 23 H ILE 3 H ILE 3 -11.917 14.686 -5.472 24 HA ILE 3 HA ILE 3 -10.991 13.073 -3.393 25 HB ILE 3 HB ILE 3 -12.358 12.222 -5.248 26 1HG1 ILE 3 2HG1 ILE 3 -10.262 10.362 -5.733 27 2HG1 ILE 3 1HG1 ILE 3 -10.073 10.947 -4.083 28 1HG2 ILE 3 1HG2 ILE 3 -11.386 13.407 -7.099 29 2HG2 ILE 3 2HG2 ILE 3 -11.268 11.674 -7.404 30 3HG2 ILE 3 3HG2 ILE 3 -9.847 12.575 -6.876 31 1HD1 ILE 3 1HD1 ILE 3 -11.535 9.344 -3.574 32 2HD1 ILE 3 2HD1 ILE 3 -12.100 9.198 -5.239 33 3HD1 ILE 3 3HD1 ILE 3 -12.748 10.464 -4.196 34 H ALA 4 H ALA 4 -9.038 12.332 -2.781 35 HA ALA 4 HA ALA 4 -6.708 13.181 -4.376 36 1HB ALA 4 1HB ALA 4 -5.628 12.894 -1.941 37 2HB ALA 4 2HB ALA 4 -7.270 13.343 -1.479 38 3HB ALA 4 3HB ALA 4 -6.323 14.410 -2.516 39 H THR 5 H THR 5 -6.382 11.306 -5.518 40 HA THR 5 HA THR 5 -5.519 8.993 -3.928 41 HB THR 5 HB THR 5 -6.525 7.501 -5.668 42 HG1 THR 5 HG1 THR 5 -7.659 9.947 -6.528 43 1HG2 THR 5 1HG2 THR 5 -8.972 8.035 -5.047 44 2HG2 THR 5 2HG2 THR 5 -8.258 9.235 -3.969 45 3HG2 THR 5 3HG2 THR 5 -7.850 7.528 -3.785 46 H LEU 6 H LEU 6 -3.756 7.895 -4.706 47 HA LEU 6 HA LEU 6 -2.592 8.845 -7.235 48 1HB LEU 6 2HB LEU 6 -1.598 9.353 -4.642 49 2HB LEU 6 1HB LEU 6 -0.530 8.159 -5.355 50 HG LEU 6 HG LEU 6 0.373 10.328 -5.797 51 1HD1 LEU 6 1HD1 LEU 6 -0.822 9.846 -8.450 52 2HD1 LEU 6 2HD1 LEU 6 -0.006 8.474 -7.700 53 3HD1 LEU 6 3HD1 LEU 6 0.870 9.980 -7.969 54 1HD2 LEU 6 1HD2 LEU 6 -2.172 11.090 -7.206 55 2HD2 LEU 6 2HD2 LEU 6 -0.805 12.120 -6.780 56 3HD2 LEU 6 3HD2 LEU 6 -1.862 11.490 -5.516 57 H LYS 7 H LYS 7 -2.630 7.128 -8.539 58 HA LYS 7 HA LYS 7 -2.035 4.480 -7.415 59 1HB LYS 7 2HB LYS 7 -4.171 4.801 -8.684 60 2HB LYS 7 1HB LYS 7 -3.213 5.136 -10.120 61 1HG LYS 7 2HG LYS 7 -2.187 2.877 -9.873 62 2HG LYS 7 1HG LYS 7 -3.336 2.559 -8.572 63 1HD LYS 7 2HD LYS 7 -5.172 3.094 -10.210 64 2HD LYS 7 1HD LYS 7 -3.939 3.109 -11.473 65 1HE LYS 7 2HE LYS 7 -4.080 0.900 -11.643 66 2HE LYS 7 1HE LYS 7 -3.604 0.735 -9.953 67 1HZ LYS 7 1HZ LYS 7 -6.247 0.592 -11.160 68 2HZ LYS 7 2HZ LYS 7 -6.158 1.369 -9.660 69 3HZ LYS 7 3HZ LYS 7 -5.622 -0.228 -9.817 70 H GLY 8 H GLY 8 -0.367 3.239 -8.155 71 1HA GLY 8 2HA GLY 8 1.255 4.266 -10.374 72 2HA GLY 8 1HA GLY 8 2.029 4.036 -8.813 73 H ILE 9 H ILE 9 2.537 2.745 -11.416 74 HA ILE 9 HA ILE 9 1.892 -0.045 -10.735 75 HB ILE 9 HB ILE 9 2.873 0.984 -13.397 76 1HG1 ILE 9 2HG1 ILE 9 0.044 0.389 -12.496 77 2HG1 ILE 9 1HG1 ILE 9 0.697 1.985 -12.856 78 1HG2 ILE 9 1HG2 ILE 9 1.337 -1.535 -13.043 79 2HG2 ILE 9 2HG2 ILE 9 3.031 -1.515 -12.550 80 3HG2 ILE 9 3HG2 ILE 9 2.592 -1.129 -14.214 81 1HD1 ILE 9 1HD1 ILE 9 -0.738 0.814 -14.624 82 2HD1 ILE 9 2HD1 ILE 9 0.691 -0.176 -14.923 83 3HD1 ILE 9 3HD1 ILE 9 0.769 1.573 -15.138 84 H PHE 10 H PHE 10 3.534 -0.481 -9.294 85 HA PHE 10 HA PHE 10 6.297 0.010 -10.059 86 1HB PHE 10 2HB PHE 10 4.897 -0.876 -7.567 87 2HB PHE 10 1HB PHE 10 6.605 -1.251 -7.756 88 HD1 PHE 10 HD1 PHE 10 7.707 0.139 -6.262 89 HD2 PHE 10 HD2 PHE 10 4.703 1.769 -8.798 90 HE1 PHE 10 HE1 PHE 10 8.284 2.401 -5.485 91 HE2 PHE 10 HE2 PHE 10 5.276 4.035 -8.023 92 HZ PHE 10 HZ PHE 10 7.069 4.351 -6.363 93 H THR 11 H THR 11 7.422 -1.431 -11.213 94 HA THR 11 HA THR 11 6.995 -4.282 -10.758 95 HB THR 11 HB THR 11 7.112 -4.549 -13.336 96 HG1 THR 11 HG1 THR 11 6.728 -2.830 -14.496 97 1HG2 THR 11 1HG2 THR 11 5.031 -5.219 -13.052 98 2HG2 THR 11 2HG2 THR 11 4.491 -3.542 -13.123 99 3HG2 THR 11 3HG2 THR 11 4.903 -4.270 -11.570 100 H LEU 12 H LEU 12 8.570 -5.655 -11.759 101 HA LEU 12 HA LEU 12 10.750 -6.304 -11.776 102 1HB LEU 12 2HB LEU 12 11.684 -4.079 -13.418 103 2HB LEU 12 1HB LEU 12 11.663 -5.797 -13.762 104 HG LEU 12 HG LEU 12 9.039 -5.248 -14.069 105 1HD1 LEU 12 1HD1 LEU 12 10.402 -2.685 -14.114 106 2HD1 LEU 12 2HD1 LEU 12 8.679 -3.051 -14.067 107 3HD1 LEU 12 3HD1 LEU 12 9.527 -3.011 -15.611 108 1HD2 LEU 12 1HD2 LEU 12 11.369 -5.416 -15.862 109 2HD2 LEU 12 2HD2 LEU 12 9.911 -4.717 -16.567 110 3HD2 LEU 12 3HD2 LEU 12 9.862 -6.334 -15.864 111 H LYS 13 H LYS 13 13.099 -4.924 -12.066 112 HA LYS 13 HA LYS 13 13.535 -3.973 -9.413 113 1HB LYS 13 2HB LYS 13 15.426 -3.821 -11.764 114 2HB LYS 13 1HB LYS 13 15.850 -3.730 -10.060 115 1HG LYS 13 2HG LYS 13 14.695 -6.135 -11.456 116 2HG LYS 13 1HG LYS 13 16.386 -5.910 -11.006 117 1HD LYS 13 2HD LYS 13 15.906 -6.039 -8.712 118 2HD LYS 13 1HD LYS 13 14.180 -5.781 -8.972 119 1HE LYS 13 2HE LYS 13 14.807 -8.132 -8.406 120 2HE LYS 13 1HE LYS 13 13.922 -7.953 -9.921 121 1HZ LYS 13 1HZ LYS 13 16.862 -8.285 -9.653 122 2HZ LYS 13 2HZ LYS 13 16.029 -8.087 -11.112 123 3HZ LYS 13 3HZ LYS 13 15.773 -9.471 -10.174 124 H ASP 14 H ASP 14 12.622 -2.511 -12.357 125 HA ASP 14 HA ASP 14 13.551 0.141 -11.609 126 1HB ASP 14 2HB ASP 14 13.521 -0.773 -13.998 127 2HB ASP 14 1HB ASP 14 11.773 -0.564 -13.943 128 H LEU 15 H LEU 15 11.352 -1.571 -10.254 129 HA LEU 15 HA LEU 15 8.877 -0.365 -10.580 130 1HB LEU 15 2HB LEU 15 8.219 -1.460 -8.608 131 2HB LEU 15 1HB LEU 15 9.391 -2.502 -9.381 132 HG LEU 15 HG LEU 15 10.469 -0.654 -7.336 133 1HD1 LEU 15 1HD1 LEU 15 9.535 -1.584 -5.488 134 2HD1 LEU 15 2HD1 LEU 15 9.179 -3.112 -6.294 135 3HD1 LEU 15 3HD1 LEU 15 8.161 -1.701 -6.587 136 1HD2 LEU 15 1HD2 LEU 15 11.795 -2.375 -8.577 137 2HD2 LEU 15 2HD2 LEU 15 10.847 -3.614 -7.757 138 3HD2 LEU 15 3HD2 LEU 15 11.868 -2.522 -6.822 139 HA PRO 16 HA PRO 16 10.321 2.593 -6.908 140 1HB PRO 16 2HB PRO 16 12.973 3.289 -8.032 141 2HB PRO 16 1HB PRO 16 12.496 3.027 -6.354 142 1HG PRO 16 2HG PRO 16 13.951 1.211 -7.631 143 2HG PRO 16 1HG PRO 16 12.649 0.714 -6.533 144 1HD PRO 16 2HD PRO 16 12.650 0.854 -9.527 145 2HD PRO 16 1HD PRO 16 12.018 -0.420 -8.466 146 H GLU 17 H GLU 17 8.723 3.189 -8.822 147 HA GLU 17 HA GLU 17 8.862 4.683 -10.919 148 1HB GLU 17 2HB GLU 17 7.233 5.037 -8.490 149 2HB GLU 17 1HB GLU 17 7.278 6.429 -9.565 150 1HG GLU 17 2HG GLU 17 6.638 4.880 -11.431 151 2HG GLU 17 1HG GLU 17 6.367 3.639 -10.208 152 H GLU 18 H GLU 18 10.685 5.743 -11.449 153 HA GLU 18 HA GLU 18 11.942 7.625 -11.747 154 1HB GLU 18 2HB GLU 18 9.789 8.743 -10.658 155 2HB GLU 18 1HB GLU 18 10.909 8.999 -9.327 156 1HG GLU 18 2HG GLU 18 12.375 9.832 -11.474 157 2HG GLU 18 1HG GLU 18 10.741 10.317 -11.926 158 H PHE 19 H PHE 19 11.468 7.249 -8.277 159 HA PHE 19 HA PHE 19 14.028 6.140 -7.808 160 1HB PHE 19 2HB PHE 19 13.749 9.095 -7.637 161 2HB PHE 19 1HB PHE 19 14.676 8.301 -6.369 162 HD1 PHE 19 HD1 PHE 19 16.141 6.233 -7.661 163 HD2 PHE 19 HD2 PHE 19 15.171 10.112 -9.121 164 HE1 PHE 19 HE1 PHE 19 18.107 6.165 -9.138 165 HE2 PHE 19 HE2 PHE 19 17.135 10.050 -10.602 166 HZ PHE 19 HZ PHE 19 18.606 8.075 -10.612 167 H ARG 20 H ARG 20 11.348 5.579 -6.998 168 HA ARG 20 HA ARG 20 11.501 6.109 -4.103 169 1HB ARG 20 2HB ARG 20 9.046 5.340 -5.685 170 2HB ARG 20 1HB ARG 20 9.104 5.828 -3.997 171 1HG ARG 20 2HG ARG 20 9.864 7.600 -6.307 172 2HG ARG 20 1HG ARG 20 8.285 7.596 -5.519 173 1HD ARG 20 2HD ARG 20 10.723 7.930 -3.842 174 2HD ARG 20 1HD ARG 20 10.170 9.297 -4.809 175 HE ARG 20 HE ARG 20 8.061 8.123 -3.284 176 1HH1 ARG 20 2HH1 ARG 20 10.769 10.318 -3.110 177 2HH1 ARG 20 1HH1 ARG 20 10.116 11.217 -1.783 178 1HH2 ARG 20 1HH2 ARG 20 7.200 9.305 -1.539 179 2HH2 ARG 20 2HH2 ARG 20 8.090 10.642 -0.890 180 HA PRO 21 HA PRO 21 12.105 1.550 -4.533 181 1HB PRO 21 2HB PRO 21 14.385 1.317 -3.157 182 2HB PRO 21 1HB PRO 21 14.381 1.873 -4.836 183 1HG PRO 21 2HG PRO 21 14.624 3.463 -2.316 184 2HG PRO 21 1HG PRO 21 15.495 3.651 -3.847 185 1HD PRO 21 2HD PRO 21 13.310 5.164 -3.083 186 2HD PRO 21 1HD PRO 21 13.841 4.927 -4.759 187 H PHE 22 H PHE 22 10.184 2.500 -2.899 188 HA PHE 22 HA PHE 22 10.752 2.138 -0.122 189 1HB PHE 22 2HB PHE 22 8.920 3.590 -0.977 190 2HB PHE 22 1HB PHE 22 8.068 2.148 -1.518 191 HD1 PHE 22 HD1 PHE 22 9.243 4.004 1.436 192 HD2 PHE 22 HD2 PHE 22 6.846 0.795 -0.003 193 HE1 PHE 22 HE1 PHE 22 8.193 3.799 3.653 194 HE2 PHE 22 HE2 PHE 22 5.791 0.586 2.211 195 HZ PHE 22 HZ PHE 22 6.463 2.089 4.041 196 H VAL 23 H VAL 23 8.480 0.317 -2.181 197 HA VAL 23 HA VAL 23 8.335 -1.907 -0.470 198 HB VAL 23 HB VAL 23 7.464 -3.108 -2.552 199 1HG1 VAL 23 1HG1 VAL 23 5.737 -2.431 -1.251 200 2HG1 VAL 23 2HG1 VAL 23 5.463 -1.344 -2.613 201 3HG1 VAL 23 3HG1 VAL 23 6.301 -0.762 -1.174 202 1HG2 VAL 23 1HG2 VAL 23 6.978 -0.587 -3.920 203 2HG2 VAL 23 2HG2 VAL 23 7.519 -2.138 -4.562 204 3HG2 VAL 23 3HG2 VAL 23 8.688 -1.015 -3.865 205 H ASP 24 H ASP 24 10.835 -0.955 -2.570 206 HA ASP 24 HA ASP 24 11.872 -3.238 -3.647 207 1HB ASP 24 2HB ASP 24 12.799 -0.841 -3.706 208 2HB ASP 24 1HB ASP 24 13.638 -1.260 -2.216 209 H TYR 25 H TYR 25 11.786 -2.320 -0.284 210 HA TYR 25 HA TYR 25 13.718 -4.087 0.722 211 1HB TYR 25 2HB TYR 25 12.865 -3.608 2.855 212 2HB TYR 25 1HB TYR 25 12.490 -2.166 1.922 213 HD1 TYR 25 HD1 TYR 25 11.221 -4.294 4.303 214 HD2 TYR 25 HD2 TYR 25 10.068 -2.431 0.656 215 HE1 TYR 25 HE1 TYR 25 8.857 -4.508 4.946 216 HE2 TYR 25 HE2 TYR 25 7.702 -2.638 1.290 217 HH TYR 25 HH TYR 25 6.333 -2.921 3.236 218 H LYS 26 H LYS 26 10.346 -4.558 -0.136 219 HA LYS 26 HA LYS 26 10.043 -7.104 1.071 220 1HB LYS 26 2HB LYS 26 8.397 -5.323 -0.302 221 2HB LYS 26 1HB LYS 26 8.443 -6.745 -1.333 222 1HG LYS 26 2HG LYS 26 8.043 -7.885 1.091 223 2HG LYS 26 1HG LYS 26 7.192 -6.352 1.289 224 1HD LYS 26 2HD LYS 26 6.753 -7.939 -1.197 225 2HD LYS 26 1HD LYS 26 5.969 -8.456 0.297 226 1HE LYS 26 2HE LYS 26 5.732 -5.744 -1.002 227 2HE LYS 26 1HE LYS 26 4.500 -7.005 -0.988 228 1HZ LYS 26 1HZ LYS 26 5.280 -5.153 1.104 229 2HZ LYS 26 2HZ LYS 26 4.971 -6.734 1.618 230 3HZ LYS 26 3HZ LYS 26 3.777 -5.867 0.792 231 H ALA 27 H ALA 27 11.231 -6.027 -2.046 232 HA ALA 27 HA ALA 27 11.320 -8.605 -3.253 233 1HB ALA 27 1HB ALA 27 13.182 -6.463 -4.133 234 2HB ALA 27 2HB ALA 27 11.449 -6.173 -4.284 235 3HB ALA 27 3HB ALA 27 12.185 -7.560 -5.089 236 H GLY 28 H GLY 28 13.408 -6.839 -1.110 237 1HA GLY 28 2HA GLY 28 15.432 -8.976 -1.377 238 2HA GLY 28 1HA GLY 28 15.827 -7.314 -0.964 239 H LEU 29 H LEU 29 12.961 -8.571 0.452 240 HA LEU 29 HA LEU 29 13.818 -8.139 3.061 241 1HB LEU 29 2HB LEU 29 11.740 -8.820 3.732 242 2HB LEU 29 1HB LEU 29 11.430 -8.436 2.054 243 HG LEU 29 HG LEU 29 10.280 -10.429 2.390 244 1HD1 LEU 29 1HD1 LEU 29 12.454 -10.444 0.671 245 2HD1 LEU 29 2HD1 LEU 29 11.071 -11.534 0.641 246 3HD1 LEU 29 3HD1 LEU 29 12.538 -11.995 1.503 247 1HD2 LEU 29 1HD2 LEU 29 12.308 -10.906 4.382 248 2HD2 LEU 29 2HD2 LEU 29 12.035 -12.343 3.396 249 3HD2 LEU 29 3HD2 LEU 29 10.686 -11.583 4.239 250 H GLU 30 H GLU 30 14.394 -10.794 1.004 251 HA GLU 30 HA GLU 30 16.261 -11.997 2.687 252 1HB GLU 30 2HB GLU 30 13.948 -12.569 3.798 253 2HB GLU 30 1HB GLU 30 13.857 -13.775 2.524 254 1HG GLU 30 2HG GLU 30 15.752 -14.911 3.314 255 2HG GLU 30 1HG GLU 30 16.225 -13.565 4.350 256 H LYS 31 H LYS 31 16.254 -11.280 0.060 257 HA LYS 31 HA LYS 31 16.853 -12.008 -2.008 258 1HB LYS 31 2HB LYS 31 17.427 -14.405 -0.309 259 2HB LYS 31 1HB LYS 31 17.548 -14.543 -2.056 260 1HG LYS 31 2HG LYS 31 19.668 -13.908 -1.718 261 2HG LYS 31 1HG LYS 31 18.974 -12.287 -1.636 262 1HD LYS 31 2HD LYS 31 18.653 -13.230 0.931 263 2HD LYS 31 1HD LYS 31 20.213 -13.903 0.453 264 1HE LYS 31 2HE LYS 31 20.728 -11.822 1.399 265 2HE LYS 31 1HE LYS 31 20.795 -11.553 -0.343 266 1HZ LYS 31 1HZ LYS 31 18.613 -10.786 1.514 267 2HZ LYS 31 2HZ LYS 31 18.465 -10.721 -0.169 268 3HZ LYS 31 3HZ LYS 31 19.612 -9.756 0.616 269 H LYS 32 H LYS 32 14.178 -11.819 -1.604 270 HA LYS 32 HA LYS 32 12.726 -14.169 -2.257 271 1HB LYS 32 2HB LYS 32 12.042 -11.693 -1.365 272 2HB LYS 32 1HB LYS 32 11.556 -11.580 -3.052 273 1HG LYS 32 2HG LYS 32 10.478 -13.955 -2.442 274 2HG LYS 32 1HG LYS 32 10.427 -13.188 -0.853 275 1HD LYS 32 2HD LYS 32 9.531 -11.501 -3.092 276 2HD LYS 32 1HD LYS 32 8.513 -12.901 -2.749 277 1HE LYS 32 2HE LYS 32 8.444 -12.188 -0.367 278 2HE LYS 32 1HE LYS 32 9.325 -10.731 -0.820 279 1HZ LYS 32 1HZ LYS 32 7.492 -10.169 -2.325 280 2HZ LYS 32 2HZ LYS 32 6.976 -10.283 -0.718 281 3HZ LYS 32 3HZ LYS 32 6.641 -11.536 -1.803 282 H LYS 33 H LYS 33 11.065 -13.505 -4.334 283 HA LYS 33 HA LYS 33 12.519 -14.325 -6.579 284 1HB LYS 33 2HB LYS 33 9.772 -13.503 -5.999 285 2HB LYS 33 1HB LYS 33 10.278 -13.108 -7.636 286 1HG LYS 33 2HG LYS 33 11.134 -15.599 -7.608 287 2HG LYS 33 1HG LYS 33 9.909 -15.758 -6.346 288 1HD LYS 33 2HD LYS 33 9.422 -14.664 -9.117 289 2HD LYS 33 1HD LYS 33 9.039 -16.305 -8.590 290 1HE LYS 33 2HE LYS 33 7.849 -13.725 -7.587 291 2HE LYS 33 1HE LYS 33 7.034 -15.006 -8.484 292 1HZ LYS 33 1HZ LYS 33 7.603 -16.479 -6.531 293 2HZ LYS 33 2HZ LYS 33 6.420 -15.301 -6.259 294 3HZ LYS 33 3HZ LYS 33 7.994 -15.066 -5.686 295 H LEU 34 H LEU 34 13.724 -13.272 -8.020 296 HA LEU 34 HA LEU 34 13.312 -10.417 -8.463 297 1HB LEU 34 2HB LEU 34 16.013 -11.570 -7.765 298 2HB LEU 34 1HB LEU 34 15.678 -9.902 -8.188 299 HG LEU 34 HG LEU 34 14.404 -11.187 -5.789 300 1HD1 LEU 34 1HD1 LEU 34 16.287 -9.903 -4.561 301 2HD1 LEU 34 2HD1 LEU 34 17.158 -10.066 -6.085 302 3HD1 LEU 34 3HD1 LEU 34 16.621 -11.505 -5.219 303 1HD2 LEU 34 1HD2 LEU 34 14.136 -8.918 -5.047 304 2HD2 LEU 34 2HD2 LEU 34 13.501 -9.056 -6.686 305 3HD2 LEU 34 3HD2 LEU 34 15.077 -8.316 -6.412 306 H SER 35 H SER 35 12.515 -12.148 -10.274 307 HA SER 35 HA SER 35 14.684 -12.527 -12.207 308 1HB SER 35 2HB SER 35 11.869 -13.513 -12.585 309 2HB SER 35 1HB SER 35 13.368 -14.159 -13.256 310 HG SER 35 HG SER 35 12.530 -15.428 -11.522 311 H ASP 36 H ASP 36 13.830 -9.883 -11.758 312 HA ASP 36 HA ASP 36 13.168 -8.001 -12.858 313 1HB ASP 36 2HB ASP 36 14.312 -9.765 -14.809 314 2HB ASP 36 1HB ASP 36 12.994 -8.866 -15.555 315 H ASP 37 H ASP 37 11.149 -10.109 -12.070 316 HA ASP 37 HA ASP 37 8.940 -9.067 -13.710 317 1HB ASP 37 2HB ASP 37 9.619 -11.883 -13.040 318 2HB ASP 37 1HB ASP 37 7.915 -11.440 -12.996 319 H ASP 38 H ASP 38 10.104 -8.316 -11.059 320 HA ASP 38 HA ASP 38 8.188 -9.119 -9.082 321 1HB ASP 38 2HB ASP 38 10.721 -8.020 -9.006 322 2HB ASP 38 1HB ASP 38 9.699 -6.675 -8.508 323 H GLU 39 H GLU 39 6.187 -8.553 -10.009 324 HA GLU 39 HA GLU 39 5.684 -5.708 -10.460 325 1HB GLU 39 2HB GLU 39 3.430 -6.587 -11.271 326 2HB GLU 39 1HB GLU 39 4.840 -6.993 -12.237 327 1HG GLU 39 2HG GLU 39 4.888 -9.212 -11.373 328 2HG GLU 39 1HG GLU 39 3.648 -8.829 -10.179 329 H ILE 40 H ILE 40 4.704 -4.480 -9.012 330 HA ILE 40 HA ILE 40 2.850 -5.670 -7.091 331 HB ILE 40 HB ILE 40 5.049 -3.816 -6.182 332 1HG1 ILE 40 2HG1 ILE 40 5.644 -6.105 -4.926 333 2HG1 ILE 40 1HG1 ILE 40 4.943 -6.783 -6.393 334 1HG2 ILE 40 1HG2 ILE 40 2.791 -3.956 -4.978 335 2HG2 ILE 40 2HG2 ILE 40 4.254 -4.145 -4.012 336 3HG2 ILE 40 3HG2 ILE 40 3.312 -5.563 -4.473 337 1HD1 ILE 40 1HD1 ILE 40 6.579 -5.038 -7.527 338 2HD1 ILE 40 2HD1 ILE 40 7.106 -6.650 -7.045 339 3HD1 ILE 40 3HD1 ILE 40 7.452 -5.263 -6.012 340 H ALA 41 H ALA 41 1.090 -4.446 -6.825 341 HA ALA 41 HA ALA 41 1.028 -1.818 -8.086 342 1HB ALA 41 1HB ALA 41 -1.453 -2.012 -7.609 343 2HB ALA 41 2HB ALA 41 -1.121 -3.656 -7.064 344 3HB ALA 41 3HB ALA 41 -0.777 -3.194 -8.731 345 H ILE 42 H ILE 42 1.191 0.008 -6.976 346 HA ILE 42 HA ILE 42 0.633 -0.052 -4.081 347 HB ILE 42 HB ILE 42 2.571 1.811 -5.448 348 1HG1 ILE 42 2HG1 ILE 42 3.186 -0.711 -3.892 349 2HG1 ILE 42 1HG1 ILE 42 3.310 -0.551 -5.641 350 1HG2 ILE 42 1HG2 ILE 42 3.260 2.437 -3.282 351 2HG2 ILE 42 2HG2 ILE 42 2.384 1.101 -2.534 352 3HG2 ILE 42 3HG2 ILE 42 1.498 2.449 -3.247 353 1HD1 ILE 42 1HD1 ILE 42 4.874 1.488 -4.900 354 2HD1 ILE 42 2HD1 ILE 42 5.466 -0.155 -5.138 355 3HD1 ILE 42 3HD1 ILE 42 5.097 0.422 -3.513 356 H ILE 43 H ILE 43 -1.052 1.129 -3.492 357 HA ILE 43 HA ILE 43 -1.709 3.536 -5.059 358 HB ILE 43 HB ILE 43 -3.757 1.716 -3.797 359 1HG1 ILE 43 2HG1 ILE 43 -3.832 1.827 -6.689 360 2HG1 ILE 43 1HG1 ILE 43 -2.272 1.231 -6.130 361 1HG2 ILE 43 1HG2 ILE 43 -5.385 3.058 -4.794 362 2HG2 ILE 43 2HG2 ILE 43 -4.226 3.811 -5.888 363 3HG2 ILE 43 3HG2 ILE 43 -4.204 4.211 -4.171 364 1HD1 ILE 43 1HD1 ILE 43 -3.210 -0.760 -5.936 365 2HD1 ILE 43 2HD1 ILE 43 -4.819 -0.094 -6.218 366 3HD1 ILE 43 3HD1 ILE 43 -4.147 -0.120 -4.587 367 H SER 44 H SER 44 -1.845 5.340 -3.901 368 HA SER 44 HA SER 44 -1.993 5.103 -0.974 369 1HB SER 44 2HB SER 44 -0.736 7.083 -0.791 370 2HB SER 44 1HB SER 44 0.013 6.233 -2.143 371 HG SER 44 HG SER 44 -1.452 7.548 -3.490 372 H ILE 45 H ILE 45 -3.822 5.683 -0.021 373 HA ILE 45 HA ILE 45 -5.578 7.611 -1.399 374 HB ILE 45 HB ILE 45 -7.485 6.488 -0.251 375 1HG1 ILE 45 2HG1 ILE 45 -5.425 4.358 0.368 376 2HG1 ILE 45 1HG1 ILE 45 -6.170 5.426 1.554 377 1HG2 ILE 45 1HG2 ILE 45 -6.664 6.004 -2.619 378 2HG2 ILE 45 2HG2 ILE 45 -7.738 4.819 -1.876 379 3HG2 ILE 45 3HG2 ILE 45 -6.004 4.509 -1.955 380 1HD1 ILE 45 1HD1 ILE 45 -7.063 3.013 1.219 381 2HD1 ILE 45 2HD1 ILE 45 -7.894 3.714 -0.170 382 3HD1 ILE 45 3HD1 ILE 45 -8.194 4.347 1.448 383 H LYS 46 H LYS 46 -7.307 8.402 0.349 384 HA LYS 46 HA LYS 46 -5.824 9.961 2.212 385 1HB LYS 46 2HB LYS 46 -7.974 10.881 2.875 386 2HB LYS 46 1HB LYS 46 -7.879 10.779 1.124 387 1HG LYS 46 2HG LYS 46 -9.810 9.700 1.134 388 2HG LYS 46 1HG LYS 46 -9.013 8.360 1.960 389 1HD LYS 46 2HD LYS 46 -9.976 8.851 3.930 390 2HD LYS 46 1HD LYS 46 -9.742 10.587 3.719 391 1HE LYS 46 2HE LYS 46 -11.684 10.729 2.309 392 2HE LYS 46 1HE LYS 46 -11.870 8.976 2.319 393 1HZ LYS 46 1HZ LYS 46 -12.824 9.003 4.339 394 2HZ LYS 46 2HZ LYS 46 -13.183 10.611 3.957 395 3HZ LYS 46 3HZ LYS 46 -11.843 10.251 4.925 396 H GLY 47 H GLY 47 -4.891 7.840 3.142 397 1HA GLY 47 2HA GLY 47 -6.644 6.803 5.272 398 2HA GLY 47 1HA GLY 47 -5.222 5.983 4.644 399 H THR 48 H THR 48 -5.781 9.283 5.862 400 HA THR 48 HA THR 48 -4.736 10.504 7.470 401 HB THR 48 HB THR 48 -3.573 8.304 8.995 402 HG1 THR 48 HG1 THR 48 -6.295 8.173 8.235 403 1HG2 THR 48 1HG2 THR 48 -4.888 10.740 9.500 404 2HG2 THR 48 2HG2 THR 48 -4.150 9.633 10.657 405 3HG2 THR 48 3HG2 THR 48 -5.853 9.462 10.238 406 H GLN 49 H GLN 49 -3.315 10.121 5.155 407 HA GLN 49 HA GLN 49 -1.242 10.461 4.287 408 1HB GLN 49 2HB GLN 49 -1.135 11.742 6.650 409 2HB GLN 49 1HB GLN 49 0.115 10.536 6.922 410 1HG GLN 49 2HG GLN 49 1.039 12.618 6.065 411 2HG GLN 49 1HG GLN 49 1.301 11.281 4.945 412 1HE2 GLN 49 1HE2 GLN 49 1.661 13.407 3.675 413 2HE2 GLN 49 2HE2 GLN 49 0.296 13.963 2.775 414 H SER 50 H SER 50 -1.692 8.082 3.830 415 HA SER 50 HA SER 50 0.722 6.628 4.312 416 1HB SER 50 2HB SER 50 -1.840 5.520 5.486 417 2HB SER 50 1HB SER 50 -0.289 4.683 5.422 418 HG SER 50 HG SER 50 0.545 6.117 6.872 419 H ASN 51 H ASN 51 0.134 4.144 3.546 420 HA ASN 51 HA ASN 51 -1.731 4.091 1.354 421 1HB ASN 51 2HB ASN 51 -0.060 3.668 -0.397 422 2HB ASN 51 1HB ASN 51 0.139 5.273 0.301 423 1HD2 ASN 51 1HD2 ASN 51 1.728 5.369 2.139 424 2HD2 ASN 51 2HD2 ASN 51 3.192 4.471 1.950 425 H HIS 52 H HIS 52 -1.126 1.954 -0.014 426 HA HIS 52 HA HIS 52 -0.245 -0.160 1.800 427 1HB HIS 52 2HB HIS 52 -2.233 -1.528 1.304 428 2HB HIS 52 1HB HIS 52 -2.662 -0.036 2.135 429 HD1 HIS 52 HD1 HIS 52 -4.563 1.181 1.131 430 HD2 HIS 52 HD2 HIS 52 -2.621 -1.213 -1.655 431 HE1 HIS 52 HE1 HIS 52 -5.894 1.404 -0.990 432 HE2 HIS 52 HE2 HIS 52 -4.754 -0.127 -2.634 433 H VAL 53 H VAL 53 0.110 -2.222 0.696 434 HA VAL 53 HA VAL 53 0.794 -1.815 -2.142 435 HB VAL 53 HB VAL 53 2.398 -3.809 -1.658 436 1HG1 VAL 53 1HG1 VAL 53 2.696 -0.922 -1.163 437 2HG1 VAL 53 2HG1 VAL 53 3.593 -1.991 -2.241 438 3HG1 VAL 53 3HG1 VAL 53 3.979 -1.947 -0.521 439 1HG2 VAL 53 1HG2 VAL 53 1.469 -4.190 0.632 440 2HG2 VAL 53 2HG2 VAL 53 2.195 -2.659 1.120 441 3HG2 VAL 53 3HG2 VAL 53 3.220 -3.987 0.581 442 H LEU 54 H LEU 54 0.910 -3.926 -3.391 443 HA LEU 54 HA LEU 54 -0.832 -6.044 -2.485 444 1HB LEU 54 2HB LEU 54 -2.254 -4.112 -3.476 445 2HB LEU 54 1HB LEU 54 -1.635 -4.660 -5.022 446 HG LEU 54 HG LEU 54 -3.837 -5.599 -4.592 447 1HD1 LEU 54 1HD1 LEU 54 -1.959 -7.895 -4.243 448 2HD1 LEU 54 2HD1 LEU 54 -1.888 -6.905 -5.701 449 3HD1 LEU 54 3HD1 LEU 54 -3.377 -7.752 -5.282 450 1HD2 LEU 54 1HD2 LEU 54 -3.355 -5.587 -2.028 451 2HD2 LEU 54 2HD2 LEU 54 -2.760 -7.220 -2.331 452 3HD2 LEU 54 3HD2 LEU 54 -4.429 -6.802 -2.722 453 H PHE 55 H PHE 55 0.281 -7.791 -3.035 454 HA PHE 55 HA PHE 55 2.219 -7.803 -5.126 455 1HB PHE 55 2HB PHE 55 2.185 -9.211 -2.963 456 2HB PHE 55 1HB PHE 55 1.088 -10.277 -3.836 457 HD1 PHE 55 HD1 PHE 55 4.512 -9.016 -3.607 458 HD2 PHE 55 HD2 PHE 55 1.867 -11.634 -5.669 459 HE1 PHE 55 HE1 PHE 55 6.441 -10.149 -4.633 460 HE2 PHE 55 HE2 PHE 55 3.790 -12.773 -6.699 461 HZ PHE 55 HZ PHE 55 6.080 -12.030 -6.180 462 H LEU 56 H LEU 56 2.043 -8.413 -7.199 463 HA LEU 56 HA LEU 56 -0.534 -9.550 -8.066 464 1HB LEU 56 2HB LEU 56 1.181 -7.406 -9.204 465 2HB LEU 56 1HB LEU 56 0.342 -8.453 -10.332 466 HG LEU 56 HG LEU 56 -1.787 -7.867 -9.025 467 1HD1 LEU 56 1HD1 LEU 56 -1.822 -6.007 -7.640 468 2HD1 LEU 56 2HD1 LEU 56 -0.261 -5.424 -8.215 469 3HD1 LEU 56 3HD1 LEU 56 -0.341 -6.832 -7.156 470 1HD2 LEU 56 1HD2 LEU 56 -0.700 -6.860 -11.271 471 2HD2 LEU 56 2HD2 LEU 56 -0.806 -5.394 -10.296 472 3HD2 LEU 56 3HD2 LEU 56 -2.257 -6.343 -10.621 473 H SER 57 H SER 57 -0.522 -11.350 -9.295 474 HA SER 57 HA SER 57 2.087 -12.580 -9.815 475 1HB SER 57 2HB SER 57 -0.698 -13.705 -9.552 476 2HB SER 57 1HB SER 57 0.632 -14.657 -10.208 477 HG SER 57 HG SER 57 0.156 -14.718 -7.821 478 H SER 58 H SER 58 -0.862 -11.531 -11.391 479 HA SER 58 HA SER 58 0.439 -11.337 -13.919 480 1HB SER 58 2HB SER 58 -0.171 -13.836 -13.657 481 2HB SER 58 1HB SER 58 -1.838 -13.309 -13.890 482 HG SER 58 HG SER 58 0.270 -12.692 -15.683 483 H TYR 59 H TYR 59 -0.335 -9.458 -14.593 484 HA TYR 59 HA TYR 59 -3.173 -8.839 -14.115 485 1HB TYR 59 2HB TYR 59 -1.624 -7.281 -13.034 486 2HB TYR 59 1HB TYR 59 -0.847 -6.959 -14.581 487 HD1 TYR 59 HD1 TYR 59 -3.870 -6.410 -12.561 488 HD2 TYR 59 HD2 TYR 59 -1.871 -5.505 -16.206 489 HE1 TYR 59 HE1 TYR 59 -5.458 -4.579 -12.971 490 HE2 TYR 59 HE2 TYR 59 -3.455 -3.671 -16.626 491 HH TYR 59 HH TYR 59 -5.630 -2.538 -14.228 492 H ASN 60 H ASN 60 -0.733 -9.254 -16.536 493 HA ASN 60 HA ASN 60 -2.113 -7.914 -18.645 494 1HB ASN 60 2HB ASN 60 -0.494 -9.162 -20.115 495 2HB ASN 60 1HB ASN 60 0.256 -8.182 -18.859 496 1HD2 ASN 60 1HD2 ASN 60 -0.332 -11.369 -20.037 497 2HD2 ASN 60 2HD2 ASN 60 0.714 -12.198 -18.940 498 H SER 61 H SER 61 -4.122 -8.610 -19.106 499 HA SER 61 HA SER 61 -4.461 -11.106 -20.422 500 1HB SER 61 2HB SER 61 -4.558 -12.088 -18.249 501 2HB SER 61 1HB SER 61 -5.606 -10.807 -17.642 502 HG SER 61 HG SER 61 -7.262 -11.590 -18.929 503 H VAL 62 H VAL 62 -6.862 -9.444 -18.412 504 HA VAL 62 HA VAL 62 -7.884 -7.866 -20.562 505 HB VAL 62 HB VAL 62 -8.666 -10.257 -21.055 506 1HG1 VAL 62 1HG1 VAL 62 -10.062 -11.364 -19.699 507 2HG1 VAL 62 2HG1 VAL 62 -10.960 -9.909 -19.265 508 3HG1 VAL 62 3HG1 VAL 62 -9.439 -10.282 -18.453 509 1HG2 VAL 62 1HG2 VAL 62 -11.114 -8.649 -20.852 510 2HG2 VAL 62 2HG2 VAL 62 -10.341 -9.376 -22.261 511 3HG2 VAL 62 3HG2 VAL 62 -9.750 -7.841 -21.624 512 H ASP 63 H ASP 63 -10.222 -7.042 -19.868 513 HA ASP 63 HA ASP 63 -10.016 -5.409 -17.724 514 1HB ASP 63 2HB ASP 63 -11.956 -5.873 -19.544 515 2HB ASP 63 1HB ASP 63 -12.733 -6.520 -18.102 516 H GLU 64 H GLU 64 -10.716 -8.809 -17.613 517 HA GLU 64 HA GLU 64 -12.028 -9.253 -15.295 518 1HB GLU 64 2HB GLU 64 -10.809 -10.890 -16.941 519 2HB GLU 64 1HB GLU 64 -9.511 -10.802 -15.760 520 1HG GLU 64 2HG GLU 64 -12.262 -11.387 -14.802 521 2HG GLU 64 1HG GLU 64 -11.364 -12.657 -15.631 522 H ILE 65 H ILE 65 -8.743 -8.049 -15.589 523 HA ILE 65 HA ILE 65 -8.567 -7.963 -12.647 524 HB ILE 65 HB ILE 65 -6.144 -7.713 -12.895 525 1HG1 ILE 65 2HG1 ILE 65 -6.573 -6.814 -15.378 526 2HG1 ILE 65 1HG1 ILE 65 -5.038 -7.513 -14.881 527 1HG2 ILE 65 1HG2 ILE 65 -7.467 -10.106 -14.126 528 2HG2 ILE 65 2HG2 ILE 65 -6.818 -9.912 -12.496 529 3HG2 ILE 65 3HG2 ILE 65 -5.723 -10.036 -13.873 530 1HD1 ILE 65 1HD1 ILE 65 -7.193 -9.179 -16.128 531 2HD1 ILE 65 2HD1 ILE 65 -5.468 -9.520 -15.989 532 3HD1 ILE 65 3HD1 ILE 65 -6.032 -8.269 -17.096 533 H ARG 66 H ARG 66 -8.764 -6.058 -15.502 534 HA ARG 66 HA ARG 66 -7.539 -3.684 -14.697 535 1HB ARG 66 2HB ARG 66 -8.522 -4.306 -16.985 536 2HB ARG 66 1HB ARG 66 -10.067 -3.777 -16.332 537 1HG ARG 66 2HG ARG 66 -9.365 -1.557 -16.150 538 2HG ARG 66 1HG ARG 66 -7.660 -1.992 -16.286 539 1HD ARG 66 2HD ARG 66 -9.450 -2.675 -18.555 540 2HD ARG 66 1HD ARG 66 -9.031 -0.978 -18.323 541 HE ARG 66 HE ARG 66 -7.301 -3.082 -19.236 542 1HH1 ARG 66 2HH1 ARG 66 -7.436 0.052 -17.707 543 2HH1 ARG 66 1HH1 ARG 66 -5.822 0.481 -18.162 544 1HH2 ARG 66 1HH2 ARG 66 -5.180 -2.520 -19.837 545 2HH2 ARG 66 2HH2 ARG 66 -4.539 -0.978 -19.372 546 H LYS 67 H LYS 67 -10.942 -4.675 -14.364 547 HA LYS 67 HA LYS 67 -11.617 -2.375 -12.787 548 1HB LYS 67 2HB LYS 67 -13.081 -4.068 -14.296 549 2HB LYS 67 1HB LYS 67 -13.366 -4.765 -12.707 550 1HG LYS 67 2HG LYS 67 -14.120 -2.547 -11.914 551 2HG LYS 67 1HG LYS 67 -13.928 -1.931 -13.557 552 1HD LYS 67 2HD LYS 67 -15.448 -4.145 -13.989 553 2HD LYS 67 1HD LYS 67 -16.032 -3.628 -12.405 554 1HE LYS 67 2HE LYS 67 -15.948 -1.262 -13.733 555 2HE LYS 67 1HE LYS 67 -16.344 -2.371 -15.044 556 1HZ LYS 67 1HZ LYS 67 -18.425 -2.022 -14.306 557 2HZ LYS 67 2HZ LYS 67 -17.934 -1.570 -12.752 558 3HZ LYS 67 3HZ LYS 67 -18.029 -3.207 -13.164 559 H GLU 68 H GLU 68 -10.635 -5.670 -12.171 560 HA GLU 68 HA GLU 68 -11.395 -5.820 -9.459 561 1HB GLU 68 2HB GLU 68 -10.503 -7.639 -11.178 562 2HB GLU 68 1HB GLU 68 -8.965 -7.262 -10.412 563 1HG GLU 68 2HG GLU 68 -10.332 -7.630 -8.206 564 2HG GLU 68 1HG GLU 68 -11.388 -8.555 -9.272 565 H LEU 69 H LEU 69 -8.497 -4.604 -11.058 566 HA LEU 69 HA LEU 69 -7.083 -4.184 -8.587 567 1HB LEU 69 2HB LEU 69 -5.911 -4.638 -10.716 568 2HB LEU 69 1HB LEU 69 -6.496 -3.110 -11.347 569 HG LEU 69 HG LEU 69 -5.278 -2.110 -9.245 570 1HD1 LEU 69 1HD1 LEU 69 -4.761 -4.373 -8.331 571 2HD1 LEU 69 2HD1 LEU 69 -3.355 -3.327 -8.529 572 3HD1 LEU 69 3HD1 LEU 69 -3.668 -4.614 -9.694 573 1HD2 LEU 69 1HD2 LEU 69 -4.523 -1.362 -11.289 574 2HD2 LEU 69 2HD2 LEU 69 -4.147 -2.987 -11.865 575 3HD2 LEU 69 3HD2 LEU 69 -3.101 -2.209 -10.678 576 H GLU 70 H GLU 70 -8.946 -2.215 -10.845 577 HA GLU 70 HA GLU 70 -8.384 0.312 -9.826 578 1HB GLU 70 2HB GLU 70 -10.594 -0.894 -11.385 579 2HB GLU 70 1HB GLU 70 -10.958 0.622 -10.574 580 1HG GLU 70 2HG GLU 70 -8.568 0.265 -12.354 581 2HG GLU 70 1HG GLU 70 -10.142 0.783 -12.954 582 H GLU 71 H GLU 71 -10.834 -2.043 -8.833 583 HA GLU 71 HA GLU 71 -11.966 -0.391 -6.804 584 1HB GLU 71 2HB GLU 71 -12.064 -3.390 -7.194 585 2HB GLU 71 1HB GLU 71 -13.034 -2.500 -6.029 586 1HG GLU 71 2HG GLU 71 -13.441 -1.257 -8.516 587 2HG GLU 71 1HG GLU 71 -13.529 -2.996 -8.797 588 H ALA 72 H ALA 72 -9.626 -3.051 -6.809 589 HA ALA 72 HA ALA 72 -9.194 -3.285 -4.077 590 1HB ALA 72 1HB ALA 72 -8.290 -4.689 -6.054 591 2HB ALA 72 2HB ALA 72 -7.306 -4.527 -4.599 592 3HB ALA 72 3HB ALA 72 -6.939 -3.556 -6.025 593 H GLY 73 H GLY 73 -8.219 -0.795 -6.272 594 1HA GLY 73 2HA GLY 73 -6.141 0.254 -4.560 595 2HA GLY 73 1HA GLY 73 -6.749 0.986 -6.038 596 H ALA 74 H ALA 74 -9.513 1.020 -5.277 597 HA ALA 74 HA ALA 74 -9.759 2.445 -2.798 598 1HB ALA 74 1HB ALA 74 -8.735 4.166 -4.235 599 2HB ALA 74 2HB ALA 74 -10.357 4.604 -3.699 600 3HB ALA 74 3HB ALA 74 -10.099 4.022 -5.344 601 H LYS 75 H LYS 75 -11.235 0.535 -2.821 602 HA LYS 75 HA LYS 75 -13.713 1.011 -4.311 603 1HB LYS 75 2HB LYS 75 -14.325 -1.276 -3.716 604 2HB LYS 75 1HB LYS 75 -12.750 -1.236 -4.488 605 1HG LYS 75 2HG LYS 75 -11.776 -1.246 -2.136 606 2HG LYS 75 1HG LYS 75 -13.398 -1.685 -1.596 607 1HD LYS 75 2HD LYS 75 -11.659 -3.209 -3.537 608 2HD LYS 75 1HD LYS 75 -12.076 -3.687 -1.890 609 1HE LYS 75 2HE LYS 75 -13.849 -3.554 -4.311 610 2HE LYS 75 1HE LYS 75 -13.502 -4.940 -3.278 611 1HZ LYS 75 1HZ LYS 75 -14.582 -3.308 -1.503 612 2HZ LYS 75 2HZ LYS 75 -15.503 -4.381 -2.431 613 3HZ LYS 75 3HZ LYS 75 -15.386 -2.756 -2.886 614 H ILE 76 H ILE 76 -15.563 -0.219 -2.705 615 HA ILE 76 HA ILE 76 -15.917 1.795 -0.656 616 HB ILE 76 HB ILE 76 -17.787 1.179 -2.141 617 1HG1 ILE 76 2HG1 ILE 76 -19.468 0.737 -0.244 618 2HG1 ILE 76 1HG1 ILE 76 -18.069 0.737 0.826 619 1HG2 ILE 76 1HG2 ILE 76 -17.810 -1.452 -0.670 620 2HG2 ILE 76 2HG2 ILE 76 -17.221 -1.228 -2.318 621 3HG2 ILE 76 3HG2 ILE 76 -18.918 -0.933 -1.940 622 1HD1 ILE 76 1HD1 ILE 76 -18.094 3.045 -0.918 623 2HD1 ILE 76 2HD1 ILE 76 -17.977 2.952 0.840 624 3HD1 ILE 76 3HD1 ILE 76 -19.558 2.926 0.058 625 H ASN 77 H ASN 77 -15.688 -1.751 -0.809 626 HA ASN 77 HA ASN 77 -15.795 -1.947 2.078 627 1HB ASN 77 2HB ASN 77 -15.979 -3.808 -0.189 628 2HB ASN 77 1HB ASN 77 -15.115 -4.456 1.204 629 1HD2 ASN 77 1HD2 ASN 77 -16.225 -4.247 3.304 630 2HD2 ASN 77 2HD2 ASN 77 -17.942 -4.437 3.337 631 H HIS 78 H HIS 78 -13.545 -3.833 0.126 632 HA HIS 78 HA HIS 78 -11.318 -4.230 0.344 633 1HB HIS 78 2HB HIS 78 -11.536 -1.606 -0.190 634 2HB HIS 78 1HB HIS 78 -10.755 -1.507 1.384 635 HD1 HIS 78 HD1 HIS 78 -8.361 -1.063 0.942 636 HD2 HIS 78 HD2 HIS 78 -9.906 -3.924 -1.645 637 HE1 HIS 78 HE1 HIS 78 -6.407 -1.855 -0.429 638 HE2 HIS 78 HE2 HIS 78 -7.347 -3.660 -1.914 639 H THR 79 H THR 79 -9.381 -3.950 1.952 640 HA THR 79 HA THR 79 -8.522 -4.512 3.980 641 HB THR 79 HB THR 79 -10.728 -3.191 5.465 642 HG1 THR 79 HG1 THR 79 -9.004 -1.802 3.694 643 1HG2 THR 79 1HG2 THR 79 -9.041 -3.394 6.931 644 2HG2 THR 79 2HG2 THR 79 -8.485 -1.903 6.169 645 3HG2 THR 79 3HG2 THR 79 -7.807 -3.453 5.672 646 H THR 80 H THR 80 -10.492 -6.277 2.759 647 HA THR 80 HA THR 80 -11.797 -7.459 5.104 648 HB THR 80 HB THR 80 -13.330 -7.189 3.311 649 HG1 THR 80 HG1 THR 80 -13.952 -9.276 2.981 650 1HG2 THR 80 1HG2 THR 80 -11.165 -8.299 1.577 651 2HG2 THR 80 2HG2 THR 80 -12.121 -6.832 1.373 652 3HG2 THR 80 3HG2 THR 80 -12.859 -8.411 1.103 653 H LEU 81 H LEU 81 -9.279 -7.988 2.773 654 HA LEU 81 HA LEU 81 -7.527 -9.450 2.799 655 1HB LEU 81 2HB LEU 81 -8.405 -9.565 5.416 656 2HB LEU 81 1HB LEU 81 -8.440 -11.244 4.910 657 HG LEU 81 HG LEU 81 -6.079 -11.128 4.286 658 1HD1 LEU 81 1HD1 LEU 81 -4.978 -8.921 5.331 659 2HD1 LEU 81 2HD1 LEU 81 -6.517 -8.252 4.787 660 3HD1 LEU 81 3HD1 LEU 81 -5.451 -9.059 3.637 661 1HD2 LEU 81 1HD2 LEU 81 -6.967 -10.421 7.038 662 2HD2 LEU 81 2HD2 LEU 81 -5.240 -10.457 6.686 663 3HD2 LEU 81 3HD2 LEU 81 -6.221 -11.901 6.436 664 H LYS 82 H LYS 82 -10.667 -10.141 2.154 665 HA LYS 82 HA LYS 82 -10.441 -12.971 1.696 666 1HB LYS 82 2HB LYS 82 -12.554 -11.193 1.949 667 2HB LYS 82 1HB LYS 82 -12.579 -11.616 0.243 668 1HG LYS 82 2HG LYS 82 -13.997 -13.158 1.285 669 2HG LYS 82 1HG LYS 82 -12.496 -14.039 0.994 670 1HD LYS 82 2HD LYS 82 -13.354 -14.502 3.229 671 2HD LYS 82 1HD LYS 82 -11.817 -13.639 3.315 672 1HE LYS 82 2HE LYS 82 -12.747 -11.823 4.267 673 2HE LYS 82 1HE LYS 82 -14.198 -11.921 3.269 674 1HZ LYS 82 1HZ LYS 82 -15.101 -12.481 5.249 675 2HZ LYS 82 2HZ LYS 82 -13.658 -13.091 5.884 676 3HZ LYS 82 3HZ LYS 82 -14.574 -14.029 4.813 677 H ILE 83 H ILE 83 -10.977 -10.214 -0.513 678 HA ILE 83 HA ILE 83 -10.477 -11.574 -2.883 679 HB ILE 83 HB ILE 83 -9.865 -9.338 -3.840 680 1HG1 ILE 83 2HG1 ILE 83 -10.400 -8.373 -1.021 681 2HG1 ILE 83 1HG1 ILE 83 -8.810 -8.442 -1.776 682 1HG2 ILE 83 1HG2 ILE 83 -12.046 -8.745 -3.994 683 2HG2 ILE 83 2HG2 ILE 83 -12.312 -8.847 -2.254 684 3HG2 ILE 83 3HG2 ILE 83 -12.271 -10.317 -3.227 685 1HD1 ILE 83 1HD1 ILE 83 -10.729 -6.366 -1.872 686 2HD1 ILE 83 2HD1 ILE 83 -10.528 -7.003 -3.505 687 3HD1 ILE 83 3HD1 ILE 83 -9.126 -6.422 -2.605 688 H LEU 84 H LEU 84 -8.279 -10.286 -0.511 689 HA LEU 84 HA LEU 84 -5.929 -10.368 -2.105 690 1HB LEU 84 2HB LEU 84 -6.471 -10.258 0.844 691 2HB LEU 84 1HB LEU 84 -4.837 -10.505 0.255 692 HG LEU 84 HG LEU 84 -6.205 -8.234 -0.997 693 1HD1 LEU 84 1HD1 LEU 84 -6.147 -6.769 0.891 694 2HD1 LEU 84 2HD1 LEU 84 -5.488 -8.040 1.921 695 3HD1 LEU 84 3HD1 LEU 84 -7.139 -8.165 1.311 696 1HD2 LEU 84 1HD2 LEU 84 -4.040 -7.148 -0.378 697 2HD2 LEU 84 2HD2 LEU 84 -3.877 -8.590 -1.380 698 3HD2 LEU 84 3HD2 LEU 84 -3.549 -8.678 0.351 699 H GLU 85 H GLU 85 -7.588 -12.661 -0.016 700 HA GLU 85 HA GLU 85 -5.565 -14.637 0.019 701 1HB GLU 85 2HB GLU 85 -8.258 -14.346 0.977 702 2HB GLU 85 1HB GLU 85 -8.083 -15.915 0.202 703 1HG GLU 85 2HG GLU 85 -7.572 -16.269 2.456 704 2HG GLU 85 1HG GLU 85 -6.017 -16.234 1.625 705 H GLY 86 H GLY 86 -8.060 -13.798 -2.275 706 1HA GLY 86 2HA GLY 86 -7.883 -16.247 -3.769 707 2HA GLY 86 1HA GLY 86 -8.710 -14.778 -4.265 708 H HIS 87 H HIS 87 -6.227 -13.184 -3.814 709 HA HIS 87 HA HIS 87 -5.008 -13.774 -6.400 710 1HB HIS 87 2HB HIS 87 -5.701 -11.393 -5.062 711 2HB HIS 87 1HB HIS 87 -3.942 -11.419 -5.122 712 HD1 HIS 87 HD1 HIS 87 -4.044 -13.000 -7.984 713 HD2 HIS 87 HD2 HIS 87 -5.766 -9.349 -6.998 714 HE1 HIS 87 HE1 HIS 87 -4.332 -11.783 -10.164 715 HE2 HIS 87 HE2 HIS 87 -5.297 -9.542 -9.534 716 H LEU 88 HN LEU 88 -3.967 -13.014 -3.078 717 HA LEU 88 HA LEU 88 -1.247 -13.753 -3.599 718 1HB LEU 88 2HB LEU 88 -2.813 -12.811 -1.264 719 2HB LEU 88 1HB LEU 88 -1.358 -13.726 -0.917 720 HG LEU 88 HG LEU 88 -0.967 -11.297 -0.906 721 1HD1 LEU 88 1HD1 LEU 88 0.779 -12.993 -1.585 722 2HD1 LEU 88 2HD1 LEU 88 1.055 -11.335 -2.118 723 3HD1 LEU 88 3HD1 LEU 88 0.441 -12.535 -3.254 724 1HD2 LEU 88 1HD2 LEU 88 -2.053 -11.536 -3.679 725 2HD2 LEU 88 2HD2 LEU 88 -0.874 -10.281 -3.299 726 3HD2 LEU 88 3HD2 LEU 88 -2.409 -10.341 -2.433 Start of MODEL 2 1 1H LEU 1 1H LEU 1 -14.496 18.394 -4.070 2 2H LEU 1 2H LEU 1 -15.480 18.481 -5.475 3 3H LEU 1 3H LEU 1 -14.060 19.439 -5.356 4 HA LEU 1 HA LEU 1 -13.998 16.510 -5.256 5 1HB LEU 1 2HB LEU 1 -13.522 16.557 -7.652 6 2HB LEU 1 1HB LEU 1 -15.123 17.185 -7.306 7 HG LEU 1 HG LEU 1 -13.521 19.453 -7.313 8 1HD1 LEU 1 1HD1 LEU 1 -12.825 18.064 -9.846 9 2HD1 LEU 1 2HD1 LEU 1 -11.856 17.728 -8.411 10 3HD1 LEU 1 3HD1 LEU 1 -11.999 19.380 -9.012 11 1HD2 LEU 1 1HD2 LEU 1 -15.849 18.842 -8.324 12 2HD2 LEU 1 2HD2 LEU 1 -14.916 18.547 -9.791 13 3HD2 LEU 1 3HD2 LEU 1 -14.888 20.139 -9.033 14 H PHE 2 H PHE 2 -12.194 16.420 -3.976 15 HA PHE 2 HA PHE 2 -9.740 17.467 -5.169 16 1HB PHE 2 2HB PHE 2 -8.985 18.578 -3.265 17 2HB PHE 2 1HB PHE 2 -10.695 18.990 -3.293 18 HD1 PHE 2 HD1 PHE 2 -8.183 18.270 -1.151 19 HD2 PHE 2 HD2 PHE 2 -12.119 16.929 -2.062 20 HE1 PHE 2 HE1 PHE 2 -8.416 17.406 1.142 21 HE2 PHE 2 HE2 PHE 2 -12.359 16.065 0.228 22 HZ PHE 2 HZ PHE 2 -10.506 16.303 1.834 23 H ILE 3 H ILE 3 -11.013 14.812 -4.903 24 HA ILE 3 HA ILE 3 -9.527 13.333 -2.955 25 HB ILE 3 HB ILE 3 -10.920 12.218 -5.387 26 1HG1 ILE 3 2HG1 ILE 3 -12.497 13.625 -4.182 27 2HG1 ILE 3 1HG1 ILE 3 -12.891 11.932 -3.910 28 1HG2 ILE 3 1HG2 ILE 3 -11.247 10.391 -3.447 29 2HG2 ILE 3 2HG2 ILE 3 -9.707 11.088 -2.946 30 3HG2 ILE 3 3HG2 ILE 3 -9.877 10.393 -4.558 31 1HD1 ILE 3 1HD1 ILE 3 -12.041 11.991 -1.713 32 2HD1 ILE 3 2HD1 ILE 3 -13.019 13.447 -1.906 33 3HD1 ILE 3 3HD1 ILE 3 -11.260 13.549 -1.980 34 H ALA 4 H ALA 4 -7.702 12.113 -3.205 35 HA ALA 4 HA ALA 4 -6.293 12.389 -5.780 36 1HB ALA 4 1HB ALA 4 -5.384 12.752 -2.991 37 2HB ALA 4 2HB ALA 4 -4.872 13.567 -4.469 38 3HB ALA 4 3HB ALA 4 -4.260 11.957 -4.094 39 H THR 5 H THR 5 -6.928 10.452 -6.678 40 HA THR 5 HA THR 5 -6.359 7.995 -5.188 41 HB THR 5 HB THR 5 -7.535 6.905 -7.161 42 HG1 THR 5 HG1 THR 5 -8.623 8.201 -8.558 43 1HG2 THR 5 1HG2 THR 5 -9.823 7.962 -6.550 44 2HG2 THR 5 2HG2 THR 5 -8.895 8.786 -5.297 45 3HG2 THR 5 3HG2 THR 5 -8.935 7.023 -5.350 46 H LEU 6 H LEU 6 -4.030 8.478 -5.421 47 HA LEU 6 HA LEU 6 -2.841 8.338 -8.027 48 1HB LEU 6 2HB LEU 6 -2.011 9.237 -5.578 49 2HB LEU 6 1HB LEU 6 -1.129 7.729 -5.720 50 HG LEU 6 HG LEU 6 -0.221 8.511 -7.900 51 1HD1 LEU 6 1HD1 LEU 6 -0.433 11.176 -7.969 52 2HD1 LEU 6 2HD1 LEU 6 -2.014 10.778 -7.295 53 3HD1 LEU 6 3HD1 LEU 6 -1.520 10.100 -8.846 54 1HD2 LEU 6 1HD2 LEU 6 1.452 9.873 -6.958 55 2HD2 LEU 6 2HD2 LEU 6 0.903 8.832 -5.645 56 3HD2 LEU 6 3HD2 LEU 6 0.358 10.506 -5.729 57 H LYS 7 H LYS 7 -1.470 6.664 -8.808 58 HA LYS 7 HA LYS 7 -1.486 4.094 -7.493 59 1HB LYS 7 2HB LYS 7 -2.502 2.936 -9.467 60 2HB LYS 7 1HB LYS 7 -3.625 3.933 -8.554 61 1HG LYS 7 2HG LYS 7 -2.271 5.217 -10.845 62 2HG LYS 7 1HG LYS 7 -3.469 3.975 -11.214 63 1HD LYS 7 2HD LYS 7 -4.921 5.297 -9.478 64 2HD LYS 7 1HD LYS 7 -3.821 6.620 -9.876 65 1HE LYS 7 2HE LYS 7 -5.596 6.892 -11.368 66 2HE LYS 7 1HE LYS 7 -4.358 6.074 -12.321 67 1HZ LYS 7 1HZ LYS 7 -6.351 4.446 -10.917 68 2HZ LYS 7 2HZ LYS 7 -5.542 4.140 -12.370 69 3HZ LYS 7 3HZ LYS 7 -6.819 5.248 -12.330 70 H GLY 8 H GLY 8 0.793 4.771 -7.610 71 1HA GLY 8 2HA GLY 8 2.143 5.038 -10.090 72 2HA GLY 8 1HA GLY 8 2.896 4.698 -8.538 73 H ILE 9 H ILE 9 2.101 3.466 -11.574 74 HA ILE 9 HA ILE 9 1.973 0.693 -10.910 75 HB ILE 9 HB ILE 9 2.445 0.378 -13.392 76 1HG1 ILE 9 2HG1 ILE 9 1.933 3.346 -13.540 77 2HG1 ILE 9 1HG1 ILE 9 3.561 2.677 -13.549 78 1HG2 ILE 9 1HG2 ILE 9 0.165 0.789 -12.070 79 2HG2 ILE 9 2HG2 ILE 9 0.226 0.537 -13.814 80 3HG2 ILE 9 3HG2 ILE 9 0.105 2.171 -13.163 81 1HD1 ILE 9 1HD1 ILE 9 1.393 2.312 -15.588 82 2HD1 ILE 9 2HD1 ILE 9 2.832 1.294 -15.535 83 3HD1 ILE 9 3HD1 ILE 9 2.990 3.031 -15.796 84 H PHE 10 H PHE 10 3.816 0.463 -9.543 85 HA PHE 10 HA PHE 10 6.469 0.925 -10.465 86 1HB PHE 10 2HB PHE 10 5.173 -0.322 -8.111 87 2HB PHE 10 1HB PHE 10 6.797 -0.883 -8.478 88 HD1 PHE 10 HD1 PHE 10 7.384 0.042 -6.221 89 HD2 PHE 10 HD2 PHE 10 6.082 2.522 -9.428 90 HE1 PHE 10 HE1 PHE 10 8.313 2.008 -5.075 91 HE2 PHE 10 HE2 PHE 10 7.012 4.490 -8.285 92 HZ PHE 10 HZ PHE 10 8.128 4.236 -6.106 93 H THR 11 H THR 11 7.865 -0.401 -11.545 94 HA THR 11 HA THR 11 7.064 -3.182 -12.012 95 HB THR 11 HB THR 11 7.623 -2.942 -14.423 96 HG1 THR 11 HG1 THR 11 8.034 -0.997 -15.271 97 1HG2 THR 11 1HG2 THR 11 5.438 -2.759 -14.680 98 2HG2 THR 11 2HG2 THR 11 5.619 -1.007 -14.599 99 3HG2 THR 11 3HG2 THR 11 5.276 -1.926 -13.134 100 H LEU 12 H LEU 12 8.594 -4.626 -12.457 101 HA LEU 12 HA LEU 12 10.583 -5.615 -11.975 102 1HB LEU 12 2HB LEU 12 12.321 -5.015 -13.541 103 2HB LEU 12 1HB LEU 12 10.758 -4.977 -14.330 104 HG LEU 12 HG LEU 12 11.668 -2.385 -13.268 105 1HD1 LEU 12 1HD1 LEU 12 13.151 -3.828 -15.443 106 2HD1 LEU 12 2HD1 LEU 12 13.804 -3.034 -14.009 107 3HD1 LEU 12 3HD1 LEU 12 13.121 -2.070 -15.318 108 1HD2 LEU 12 1HD2 LEU 12 11.022 -1.999 -15.844 109 2HD2 LEU 12 2HD2 LEU 12 9.836 -2.050 -14.540 110 3HD2 LEU 12 3HD2 LEU 12 10.123 -3.484 -15.526 111 H LYS 13 H LYS 13 13.164 -4.656 -11.930 112 HA LYS 13 HA LYS 13 13.360 -3.732 -9.261 113 1HB LYS 13 2HB LYS 13 15.405 -4.159 -11.431 114 2HB LYS 13 1HB LYS 13 15.843 -3.548 -9.843 115 1HG LYS 13 2HG LYS 13 14.519 -6.190 -10.418 116 2HG LYS 13 1HG LYS 13 16.212 -5.941 -9.990 117 1HD LYS 13 2HD LYS 13 15.716 -5.938 -7.822 118 2HD LYS 13 1HD LYS 13 14.519 -4.664 -8.053 119 1HE LYS 13 2HE LYS 13 14.129 -7.641 -8.223 120 2HE LYS 13 1HE LYS 13 13.363 -6.502 -7.116 121 1HZ LYS 13 1HZ LYS 13 12.467 -5.476 -9.312 122 2HZ LYS 13 2HZ LYS 13 11.717 -6.841 -8.653 123 3HZ LYS 13 3HZ LYS 13 12.786 -7.010 -9.952 124 H ASP 14 H ASP 14 13.159 -2.116 -12.285 125 HA ASP 14 HA ASP 14 14.320 0.350 -11.295 126 1HB ASP 14 2HB ASP 14 13.656 -0.755 -13.884 127 2HB ASP 14 1HB ASP 14 12.998 0.869 -13.718 128 H LEU 15 H LEU 15 11.686 -1.019 -10.359 129 HA LEU 15 HA LEU 15 9.595 0.765 -10.961 130 1HB LEU 15 2HB LEU 15 8.281 -0.512 -9.607 131 2HB LEU 15 1HB LEU 15 9.529 -1.650 -10.034 132 HG LEU 15 HG LEU 15 9.381 -0.144 -7.423 133 1HD1 LEU 15 1HD1 LEU 15 7.805 -1.661 -6.952 134 2HD1 LEU 15 2HD1 LEU 15 9.140 -2.807 -6.862 135 3HD1 LEU 15 3HD1 LEU 15 8.207 -2.655 -8.351 136 1HD2 LEU 15 1HD2 LEU 15 11.540 -0.672 -7.261 137 2HD2 LEU 15 2HD2 LEU 15 11.480 -1.699 -8.692 138 3HD2 LEU 15 3HD2 LEU 15 11.019 -2.349 -7.121 139 HA PRO 16 HA PRO 16 10.826 2.935 -6.854 140 1HB PRO 16 2HB PRO 16 13.682 3.213 -6.861 141 2HB PRO 16 1HB PRO 16 12.667 2.381 -5.685 142 1HG PRO 16 2HG PRO 16 14.443 1.133 -7.378 143 2HG PRO 16 1HG PRO 16 13.047 0.346 -6.625 144 1HD PRO 16 2HD PRO 16 13.357 1.418 -9.396 145 2HD PRO 16 1HD PRO 16 12.519 -0.040 -8.836 146 H GLU 17 H GLU 17 10.210 3.973 -9.264 147 HA GLU 17 HA GLU 17 12.073 5.945 -10.160 148 1HB GLU 17 2HB GLU 17 10.255 4.907 -11.556 149 2HB GLU 17 1HB GLU 17 9.102 5.885 -10.658 150 1HG GLU 17 2HG GLU 17 9.529 7.678 -11.890 151 2HG GLU 17 1HG GLU 17 11.270 7.486 -11.697 152 H GLU 18 H GLU 18 12.558 6.959 -8.148 153 HA GLU 18 HA GLU 18 11.246 9.385 -7.747 154 1HB GLU 18 2HB GLU 18 9.634 7.604 -6.693 155 2HB GLU 18 1HB GLU 18 10.776 7.654 -5.357 156 1HG GLU 18 2HG GLU 18 10.353 10.292 -5.748 157 2HG GLU 18 1HG GLU 18 8.790 9.633 -6.226 158 H PHE 19 H PHE 19 13.301 6.901 -6.473 159 HA PHE 19 HA PHE 19 15.357 8.772 -5.851 160 1HB PHE 19 2HB PHE 19 14.060 9.192 -3.871 161 2HB PHE 19 1HB PHE 19 13.865 7.470 -3.567 162 HD1 PHE 19 HD1 PHE 19 16.895 9.468 -4.409 163 HD2 PHE 19 HD2 PHE 19 14.894 7.023 -1.558 164 HE1 PHE 19 HE1 PHE 19 18.899 9.497 -2.983 165 HE2 PHE 19 HE2 PHE 19 16.895 7.047 -0.127 166 HZ PHE 19 HZ PHE 19 18.901 8.286 -0.838 167 H ARG 20 H ARG 20 14.610 5.737 -4.171 168 HA ARG 20 HA ARG 20 16.509 4.275 -5.814 169 1HB ARG 20 2HB ARG 20 17.139 5.298 -3.152 170 2HB ARG 20 1HB ARG 20 17.358 3.559 -3.279 171 1HG ARG 20 2HG ARG 20 18.557 4.423 -5.561 172 2HG ARG 20 1HG ARG 20 18.906 5.748 -4.449 173 1HD ARG 20 2HD ARG 20 19.633 2.845 -4.194 174 2HD ARG 20 1HD ARG 20 20.702 4.246 -4.217 175 HE ARG 20 HE ARG 20 19.167 4.643 -2.013 176 1HH1 ARG 20 2HH1 ARG 20 21.143 1.997 -3.138 177 2HH1 ARG 20 1HH1 ARG 20 21.550 1.458 -1.545 178 1HH2 ARG 20 1HH2 ARG 20 19.700 3.935 0.085 179 2HH2 ARG 20 2HH2 ARG 20 20.729 2.557 0.287 180 HA PRO 21 HA PRO 21 14.322 0.520 -5.098 181 1HB PRO 21 2HB PRO 21 16.475 -0.373 -3.220 182 2HB PRO 21 1HB PRO 21 15.709 -1.252 -4.548 183 1HG PRO 21 2HG PRO 21 18.122 -0.193 -4.864 184 2HG PRO 21 1HG PRO 21 16.928 -0.125 -6.173 185 1HD PRO 21 2HD PRO 21 17.864 2.031 -4.350 186 2HD PRO 21 1HD PRO 21 17.319 2.134 -6.035 187 H PHE 22 H PHE 22 12.619 1.504 -3.926 188 HA PHE 22 HA PHE 22 12.810 1.661 -1.038 189 1HB PHE 22 2HB PHE 22 11.600 3.408 -2.291 190 2HB PHE 22 1HB PHE 22 10.457 2.199 -2.866 191 HD1 PHE 22 HD1 PHE 22 8.414 2.611 -1.897 192 HD2 PHE 22 HD2 PHE 22 11.922 2.841 0.500 193 HE1 PHE 22 HE1 PHE 22 7.022 2.979 0.100 194 HE2 PHE 22 HE2 PHE 22 10.539 3.209 2.500 195 HZ PHE 22 HZ PHE 22 8.084 3.279 2.301 196 H VAL 23 H VAL 23 10.179 0.304 -3.021 197 HA VAL 23 HA VAL 23 9.408 -1.570 -1.069 198 HB VAL 23 HB VAL 23 8.074 -2.635 -2.844 199 1HG1 VAL 23 1HG1 VAL 23 7.041 -0.282 -3.641 200 2HG1 VAL 23 2HG1 VAL 23 8.022 0.260 -2.279 201 3HG1 VAL 23 3HG1 VAL 23 6.780 -0.969 -2.038 202 1HG2 VAL 23 1HG2 VAL 23 8.789 -0.639 -4.878 203 2HG2 VAL 23 2HG2 VAL 23 8.415 -2.353 -5.049 204 3HG2 VAL 23 3HG2 VAL 23 10.029 -1.849 -4.551 205 H ASP 24 H ASP 24 12.048 -1.591 -3.208 206 HA ASP 24 HA ASP 24 12.401 -4.188 -3.974 207 1HB ASP 24 2HB ASP 24 13.950 -1.998 -4.087 208 2HB ASP 24 1HB ASP 24 14.790 -2.867 -2.807 209 H TYR 25 H TYR 25 12.588 -2.876 -0.745 210 HA TYR 25 HA TYR 25 14.021 -4.967 0.470 211 1HB TYR 25 2HB TYR 25 13.197 -4.140 2.579 212 2HB TYR 25 1HB TYR 25 13.550 -2.762 1.547 213 HD1 TYR 25 HD1 TYR 25 10.656 -4.968 2.455 214 HD2 TYR 25 HD2 TYR 25 12.007 -1.057 1.466 215 HE1 TYR 25 HE1 TYR 25 8.395 -4.095 2.849 216 HE2 TYR 25 HE2 TYR 25 9.746 -0.173 1.853 217 HH TYR 25 HH TYR 25 7.476 -0.899 1.956 218 H LYS 26 H LYS 26 10.651 -4.625 -0.416 219 HA LYS 26 HA LYS 26 9.862 -7.022 0.989 220 1HB LYS 26 2HB LYS 26 8.362 -5.003 0.437 221 2HB LYS 26 1HB LYS 26 8.291 -5.656 -1.193 222 1HG LYS 26 2HG LYS 26 7.178 -7.603 -0.477 223 2HG LYS 26 1HG LYS 26 7.539 -7.275 1.219 224 1HD LYS 26 2HD LYS 26 6.184 -5.072 0.742 225 2HD LYS 26 1HD LYS 26 5.501 -6.036 -0.569 226 1HE LYS 26 2HE LYS 26 5.282 -7.806 1.422 227 2HE LYS 26 1HE LYS 26 5.197 -6.317 2.364 228 1HZ LYS 26 1HZ LYS 26 3.197 -5.785 1.507 229 2HZ LYS 26 2HZ LYS 26 3.082 -7.452 1.243 230 3HZ LYS 26 3HZ LYS 26 3.538 -6.426 -0.023 231 H ALA 27 H ALA 27 10.993 -6.129 -2.164 232 HA ALA 27 HA ALA 27 10.247 -8.594 -3.436 233 1HB ALA 27 1HB ALA 27 10.457 -6.582 -4.767 234 2HB ALA 27 2HB ALA 27 11.645 -7.773 -5.299 235 3HB ALA 27 3HB ALA 27 12.148 -6.414 -4.295 236 H GLY 28 H GLY 28 12.858 -7.478 -1.471 237 1HA GLY 28 2HA GLY 28 14.164 -10.089 -1.802 238 2HA GLY 28 1HA GLY 28 15.131 -8.632 -1.988 239 H LEU 29 H LEU 29 12.501 -9.069 0.327 240 HA LEU 29 HA LEU 29 13.764 -7.983 2.491 241 1HB LEU 29 2HB LEU 29 12.138 -9.078 3.892 242 2HB LEU 29 1HB LEU 29 11.378 -8.527 2.412 243 HG LEU 29 HG LEU 29 12.336 -11.351 2.566 244 1HD1 LEU 29 1HD1 LEU 29 9.627 -10.550 3.579 245 2HD1 LEU 29 2HD1 LEU 29 11.006 -10.757 4.660 246 3HD1 LEU 29 3HD1 LEU 29 10.432 -12.116 3.694 247 1HD2 LEU 29 1HD2 LEU 29 11.513 -10.977 0.473 248 2HD2 LEU 29 2HD2 LEU 29 10.373 -9.747 1.019 249 3HD2 LEU 29 3HD2 LEU 29 10.023 -11.455 1.288 250 H GLU 30 H GLU 30 14.296 -11.108 1.156 251 HA GLU 30 HA GLU 30 16.516 -11.527 2.941 252 1HB GLU 30 2HB GLU 30 14.194 -12.495 3.896 253 2HB GLU 30 1HB GLU 30 14.688 -13.860 2.906 254 1HG GLU 30 2HG GLU 30 16.260 -14.479 4.350 255 2HG GLU 30 1HG GLU 30 16.851 -12.830 4.548 256 H LYS 31 H LYS 31 17.248 -11.202 0.624 257 HA LYS 31 HA LYS 31 18.057 -11.971 -1.357 258 1HB LYS 31 2HB LYS 31 19.332 -14.007 -1.232 259 2HB LYS 31 1HB LYS 31 19.494 -13.152 0.295 260 1HG LYS 31 2HG LYS 31 18.309 -14.724 1.460 261 2HG LYS 31 1HG LYS 31 17.391 -15.242 0.046 262 1HD LYS 31 2HD LYS 31 20.012 -15.848 -0.606 263 2HD LYS 31 1HD LYS 31 19.900 -16.249 1.108 264 1HE LYS 31 2HE LYS 31 19.339 -18.120 -0.465 265 2HE LYS 31 1HE LYS 31 18.092 -17.742 0.724 266 1HZ LYS 31 1HZ LYS 31 17.514 -18.060 -1.798 267 2HZ LYS 31 2HZ LYS 31 17.953 -16.430 -1.890 268 3HZ LYS 31 3HZ LYS 31 16.704 -16.911 -0.857 269 H LYS 32 H LYS 32 15.342 -12.003 -1.306 270 HA LYS 32 HA LYS 32 14.270 -14.522 -2.142 271 1HB LYS 32 2HB LYS 32 12.948 -12.678 -1.064 272 2HB LYS 32 1HB LYS 32 13.073 -11.784 -2.572 273 1HG LYS 32 2HG LYS 32 11.791 -13.399 -3.740 274 2HG LYS 32 1HG LYS 32 11.872 -14.532 -2.391 275 1HD LYS 32 2HD LYS 32 10.040 -13.649 -1.489 276 2HD LYS 32 1HD LYS 32 10.777 -12.046 -1.481 277 1HE LYS 32 2HE LYS 32 9.192 -11.479 -2.947 278 2HE LYS 32 1HE LYS 32 10.119 -12.406 -4.126 279 1HZ LYS 32 1HZ LYS 32 8.636 -14.087 -4.103 280 2HZ LYS 32 2HZ LYS 32 7.569 -12.876 -3.598 281 3HZ LYS 32 3HZ LYS 32 8.269 -13.914 -2.461 282 H LYS 33 H LYS 33 16.443 -12.687 -3.703 283 HA LYS 33 HA LYS 33 17.224 -12.768 -5.842 284 1HB LYS 33 2HB LYS 33 14.735 -14.219 -6.717 285 2HB LYS 33 1HB LYS 33 16.337 -14.256 -7.444 286 1HG LYS 33 2HG LYS 33 17.084 -15.328 -5.227 287 2HG LYS 33 1HG LYS 33 15.363 -15.621 -4.967 288 1HD LYS 33 2HD LYS 33 16.651 -16.414 -7.548 289 2HD LYS 33 1HD LYS 33 16.816 -17.442 -6.122 290 1HE LYS 33 2HE LYS 33 14.892 -18.354 -6.837 291 2HE LYS 33 1HE LYS 33 14.151 -16.936 -6.097 292 1HZ LYS 33 1HZ LYS 33 13.371 -17.318 -8.367 293 2HZ LYS 33 2HZ LYS 33 14.949 -17.147 -8.950 294 3HZ LYS 33 3HZ LYS 33 14.167 -15.832 -8.227 295 H LEU 34 H LEU 34 17.199 -11.168 -7.291 296 HA LEU 34 HA LEU 34 14.776 -9.526 -7.456 297 1HB LEU 34 2HB LEU 34 17.613 -8.884 -8.266 298 2HB LEU 34 1HB LEU 34 16.259 -7.770 -8.312 299 HG LEU 34 HG LEU 34 17.531 -7.240 -6.375 300 1HD1 LEU 34 1HD1 LEU 34 15.032 -7.344 -6.147 301 2HD1 LEU 34 2HD1 LEU 34 15.932 -7.465 -4.635 302 3HD1 LEU 34 3HD1 LEU 34 15.241 -8.913 -5.369 303 1HD2 LEU 34 1HD2 LEU 34 18.616 -9.569 -6.352 304 2HD2 LEU 34 2HD2 LEU 34 17.259 -10.036 -5.327 305 3HD2 LEU 34 3HD2 LEU 34 18.356 -8.757 -4.809 306 H SER 35 H SER 35 13.496 -10.070 -9.100 307 HA SER 35 HA SER 35 14.620 -11.107 -11.572 308 1HB SER 35 2HB SER 35 12.138 -11.393 -10.183 309 2HB SER 35 1HB SER 35 11.804 -10.757 -11.794 310 HG SER 35 HG SER 35 13.083 -13.161 -11.061 311 H ASP 36 H ASP 36 13.412 -10.286 -13.628 312 HA ASP 36 HA ASP 36 13.622 -7.350 -13.621 313 1HB ASP 36 2HB ASP 36 15.154 -8.921 -15.068 314 2HB ASP 36 1HB ASP 36 13.748 -8.984 -16.128 315 H ASP 37 H ASP 37 11.563 -10.043 -14.362 316 HA ASP 37 HA ASP 37 9.658 -8.420 -15.826 317 1HB ASP 37 2HB ASP 37 10.265 -11.008 -16.074 318 2HB ASP 37 1HB ASP 37 8.958 -11.162 -14.905 319 H ASP 38 H ASP 38 10.279 -9.222 -12.575 320 HA ASP 38 HA ASP 38 7.770 -9.396 -11.426 321 1HB ASP 38 2HB ASP 38 10.461 -8.801 -10.533 322 2HB ASP 38 1HB ASP 38 9.278 -7.849 -9.642 323 H GLU 39 H GLU 39 6.497 -7.801 -10.282 324 HA GLU 39 HA GLU 39 6.852 -5.015 -11.006 325 1HB GLU 39 2HB GLU 39 4.686 -6.749 -12.118 326 2HB GLU 39 1HB GLU 39 4.309 -5.076 -11.726 327 1HG GLU 39 2HG GLU 39 5.150 -4.447 -13.667 328 2HG GLU 39 1HG GLU 39 6.728 -5.055 -13.173 329 H ILE 40 H ILE 40 5.685 -3.590 -9.687 330 HA ILE 40 HA ILE 40 4.146 -4.816 -7.499 331 HB ILE 40 HB ILE 40 6.072 -2.541 -7.062 332 1HG1 ILE 40 2HG1 ILE 40 7.302 -4.580 -7.736 333 2HG1 ILE 40 1HG1 ILE 40 7.607 -4.145 -6.057 334 1HG2 ILE 40 1HG2 ILE 40 4.597 -2.429 -5.319 335 2HG2 ILE 40 2HG2 ILE 40 5.769 -3.569 -4.659 336 3HG2 ILE 40 3HG2 ILE 40 4.258 -4.160 -5.351 337 1HD1 ILE 40 1HD1 ILE 40 5.463 -5.872 -5.904 338 2HD1 ILE 40 2HD1 ILE 40 7.151 -6.259 -5.572 339 3HD1 ILE 40 3HD1 ILE 40 6.475 -6.559 -7.173 340 H ALA 41 H ALA 41 2.505 -3.540 -6.608 341 HA ALA 41 HA ALA 41 1.847 -1.117 -8.158 342 1HB ALA 41 1HB ALA 41 0.233 -3.466 -7.437 343 2HB ALA 41 2HB ALA 41 0.075 -2.348 -8.792 344 3HB ALA 41 3HB ALA 41 -0.561 -1.909 -7.207 345 H ILE 42 H ILE 42 2.040 0.662 -6.983 346 HA ILE 42 HA ILE 42 1.537 0.515 -4.086 347 HB ILE 42 HB ILE 42 3.071 2.655 -5.564 348 1HG1 ILE 42 2HG1 ILE 42 4.172 0.426 -5.709 349 2HG1 ILE 42 1HG1 ILE 42 5.104 1.594 -4.775 350 1HG2 ILE 42 1HG2 ILE 42 3.938 2.742 -3.016 351 2HG2 ILE 42 2HG2 ILE 42 2.273 2.220 -2.762 352 3HG2 ILE 42 3HG2 ILE 42 2.605 3.719 -3.632 353 1HD1 ILE 42 1HD1 ILE 42 5.177 0.163 -3.099 354 2HD1 ILE 42 2HD1 ILE 42 4.187 -0.978 -4.009 355 3HD1 ILE 42 3HD1 ILE 42 3.419 0.224 -2.971 356 H ILE 43 H ILE 43 -0.576 0.994 -3.824 357 HA ILE 43 HA ILE 43 -1.724 3.254 -5.291 358 HB ILE 43 HB ILE 43 -3.217 1.419 -3.428 359 1HG1 ILE 43 2HG1 ILE 43 -2.117 -0.001 -5.071 360 2HG1 ILE 43 1HG1 ILE 43 -3.838 0.098 -5.430 361 1HG2 ILE 43 1HG2 ILE 43 -5.154 2.132 -4.630 362 2HG2 ILE 43 2HG2 ILE 43 -4.169 2.970 -5.828 363 3HG2 ILE 43 3HG2 ILE 43 -4.243 3.571 -4.172 364 1HD1 ILE 43 1HD1 ILE 43 -3.374 0.763 -7.482 365 2HD1 ILE 43 2HD1 ILE 43 -1.651 0.649 -7.124 366 3HD1 ILE 43 3HD1 ILE 43 -2.510 2.165 -6.851 367 H SER 44 H SER 44 -2.568 5.053 -4.301 368 HA SER 44 HA SER 44 -2.359 5.258 -1.389 369 1HB SER 44 2HB SER 44 -1.462 7.702 -1.985 370 2HB SER 44 1HB SER 44 -0.375 6.334 -1.753 371 HG SER 44 HG SER 44 0.257 7.067 -3.670 372 H ILE 45 H ILE 45 -3.733 6.762 -0.435 373 HA ILE 45 HA ILE 45 -5.429 8.438 -2.064 374 HB ILE 45 HB ILE 45 -7.459 7.318 -0.710 375 1HG1 ILE 45 2HG1 ILE 45 -5.560 5.042 -1.312 376 2HG1 ILE 45 1HG1 ILE 45 -6.093 5.551 0.287 377 1HG2 ILE 45 1HG2 ILE 45 -8.013 6.112 -2.790 378 2HG2 ILE 45 2HG2 ILE 45 -6.371 6.398 -3.365 379 3HG2 ILE 45 3HG2 ILE 45 -7.456 7.758 -3.081 380 1HD1 ILE 45 1HD1 ILE 45 -7.714 4.054 0.123 381 2HD1 ILE 45 2HD1 ILE 45 -7.323 3.740 -1.568 382 3HD1 ILE 45 3HD1 ILE 45 -8.431 5.046 -1.148 383 H LYS 46 H LYS 46 -6.953 9.716 -0.691 384 HA LYS 46 HA LYS 46 -5.552 10.791 1.532 385 1HB LYS 46 2HB LYS 46 -7.004 12.143 0.063 386 2HB LYS 46 1HB LYS 46 -8.408 11.271 0.660 387 1HG LYS 46 2HG LYS 46 -8.172 13.459 1.717 388 2HG LYS 46 1HG LYS 46 -8.044 12.147 2.889 389 1HD LYS 46 2HD LYS 46 -6.355 13.790 3.372 390 2HD LYS 46 1HD LYS 46 -5.572 12.337 2.752 391 1HE LYS 46 2HE LYS 46 -4.521 13.670 1.307 392 2HE LYS 46 1HE LYS 46 -6.070 13.836 0.482 393 1HZ LYS 46 1HZ LYS 46 -6.382 15.679 2.327 394 2HZ LYS 46 2HZ LYS 46 -5.612 16.009 0.857 395 3HZ LYS 46 3HZ LYS 46 -4.692 15.712 2.244 396 H GLY 47 H GLY 47 -5.450 8.576 2.601 397 1HA GLY 47 2HA GLY 47 -7.874 7.990 4.154 398 2HA GLY 47 1HA GLY 47 -6.498 6.916 3.959 399 H THR 48 H THR 48 -5.647 10.157 4.575 400 HA THR 48 HA THR 48 -4.939 11.294 6.421 401 HB THR 48 HB THR 48 -5.849 9.107 8.256 402 HG1 THR 48 HG1 THR 48 -7.800 9.300 7.562 403 1HG2 THR 48 1HG2 THR 48 -6.343 10.831 9.776 404 2HG2 THR 48 2HG2 THR 48 -6.193 12.074 8.534 405 3HG2 THR 48 3HG2 THR 48 -4.761 11.214 9.099 406 H GLN 49 H GLN 49 -3.786 8.467 5.298 407 HA GLN 49 HA GLN 49 -1.201 8.810 6.276 408 1HB GLN 49 2HB GLN 49 -2.085 8.082 8.428 409 2HB GLN 49 1HB GLN 49 -2.758 6.637 7.690 410 1HG GLN 49 2HG GLN 49 -0.889 5.584 8.217 411 2HG GLN 49 1HG GLN 49 -0.050 6.589 7.036 412 1HE2 GLN 49 1HE2 GLN 49 1.042 8.452 7.753 413 2HE2 GLN 49 2HE2 GLN 49 1.529 8.628 9.402 414 H SER 50 H SER 50 -1.702 8.495 3.802 415 HA SER 50 HA SER 50 -1.220 7.299 1.927 416 1HB SER 50 2HB SER 50 -0.195 5.087 3.709 417 2HB SER 50 1HB SER 50 0.302 5.475 2.062 418 HG SER 50 HG SER 50 1.474 7.132 2.783 419 H ASN 51 H ASN 51 -1.355 4.549 1.392 420 HA ASN 51 HA ASN 51 -4.095 3.855 2.173 421 1HB ASN 51 2HB ASN 51 -4.144 4.862 -0.056 422 2HB ASN 51 1HB ASN 51 -2.974 3.678 -0.620 423 1HD2 ASN 51 1HD2 ASN 51 -4.685 3.269 -2.208 424 2HD2 ASN 51 2HD2 ASN 51 -5.932 2.144 -1.804 425 H HIS 52 H HIS 52 -2.608 1.930 -0.238 426 HA HIS 52 HA HIS 52 -1.426 0.078 1.648 427 1HB HIS 52 2HB HIS 52 -2.823 -1.818 0.878 428 2HB HIS 52 1HB HIS 52 -3.757 -0.593 1.729 429 HD1 HIS 52 HD1 HIS 52 -5.881 -0.030 0.621 430 HD2 HIS 52 HD2 HIS 52 -3.031 -1.337 -2.105 431 HE1 HIS 52 HE1 HIS 52 -7.041 -0.042 -1.610 432 HE2 HIS 52 HE2 HIS 52 -5.282 -0.784 -3.254 433 H VAL 53 H VAL 53 -0.583 -1.906 0.449 434 HA VAL 53 HA VAL 53 0.315 -1.141 -2.253 435 HB VAL 53 HB VAL 53 1.996 -2.635 -0.238 436 1HG1 VAL 53 1HG1 VAL 53 2.447 -1.615 -3.017 437 2HG1 VAL 53 2HG1 VAL 53 2.786 -3.210 -2.345 438 3HG1 VAL 53 3HG1 VAL 53 3.800 -1.835 -1.906 439 1HG2 VAL 53 1HG2 VAL 53 3.172 -0.651 0.242 440 2HG2 VAL 53 2HG2 VAL 53 1.466 -0.221 0.357 441 3HG2 VAL 53 3HG2 VAL 53 2.392 0.226 -1.075 442 H LEU 54 H LEU 54 0.685 -2.836 -3.727 443 HA LEU 54 HA LEU 54 -0.303 -5.483 -2.912 444 1HB LEU 54 2HB LEU 54 -1.612 -3.667 -4.647 445 2HB LEU 54 1HB LEU 54 -0.993 -4.968 -5.646 446 HG LEU 54 HG LEU 54 -3.245 -5.491 -5.005 447 1HD1 LEU 54 1HD1 LEU 54 -1.312 -7.143 -3.385 448 2HD1 LEU 54 2HD1 LEU 54 -1.656 -7.352 -5.102 449 3HD1 LEU 54 3HD1 LEU 54 -2.923 -7.637 -3.909 450 1HD2 LEU 54 1HD2 LEU 54 -3.445 -5.946 -2.376 451 2HD2 LEU 54 2HD2 LEU 54 -3.877 -4.408 -3.122 452 3HD2 LEU 54 3HD2 LEU 54 -2.304 -4.602 -2.349 453 H PHE 55 H PHE 55 0.568 -7.250 -4.033 454 HA PHE 55 HA PHE 55 3.088 -6.646 -5.407 455 1HB PHE 55 2HB PHE 55 3.189 -8.101 -3.402 456 2HB PHE 55 1HB PHE 55 2.141 -9.259 -4.212 457 HD1 PHE 55 HD1 PHE 55 5.396 -7.501 -4.625 458 HD2 PHE 55 HD2 PHE 55 3.073 -10.971 -5.450 459 HE1 PHE 55 HE1 PHE 55 7.369 -8.580 -5.620 460 HE2 PHE 55 HE2 PHE 55 5.044 -12.055 -6.447 461 HZ PHE 55 HZ PHE 55 7.196 -10.861 -6.533 462 H LEU 56 H LEU 56 2.865 -6.536 -7.542 463 HA LEU 56 HA LEU 56 0.889 -8.140 -8.929 464 1HB LEU 56 2HB LEU 56 2.866 -6.064 -9.864 465 2HB LEU 56 1HB LEU 56 1.804 -6.934 -10.954 466 HG LEU 56 HG LEU 56 0.600 -5.452 -8.656 467 1HD1 LEU 56 1HD1 LEU 56 1.704 -3.603 -9.346 468 2HD1 LEU 56 2HD1 LEU 56 0.429 -3.587 -10.565 469 3HD1 LEU 56 3HD1 LEU 56 2.014 -4.252 -10.956 470 1HD2 LEU 56 1HD2 LEU 56 -0.621 -6.977 -10.327 471 2HD2 LEU 56 2HD2 LEU 56 -0.393 -5.661 -11.477 472 3HD2 LEU 56 3HD2 LEU 56 -1.306 -5.386 -9.994 473 H SER 57 H SER 57 1.616 -10.253 -8.757 474 HA SER 57 HA SER 57 4.267 -11.074 -9.308 475 1HB SER 57 2HB SER 57 3.282 -13.361 -9.436 476 2HB SER 57 1HB SER 57 2.796 -12.482 -7.987 477 HG SER 57 HG SER 57 1.291 -13.265 -10.190 478 H SER 58 H SER 58 1.296 -11.215 -11.264 479 HA SER 58 HA SER 58 2.885 -10.944 -13.679 480 1HB SER 58 2HB SER 58 1.300 -12.938 -14.563 481 2HB SER 58 1HB SER 58 2.923 -13.208 -13.929 482 HG SER 58 HG SER 58 0.629 -13.239 -12.275 483 H TYR 59 H TYR 59 1.929 -9.183 -14.489 484 HA TYR 59 HA TYR 59 -0.756 -8.460 -14.082 485 1HB TYR 59 2HB TYR 59 0.962 -6.821 -14.684 486 2HB TYR 59 1HB TYR 59 1.144 -7.572 -16.265 487 HD1 TYR 59 HD1 TYR 59 -1.473 -6.012 -14.105 488 HD2 TYR 59 HD2 TYR 59 -0.043 -6.697 -18.054 489 HE1 TYR 59 HE1 TYR 59 -3.238 -4.549 -14.991 490 HE2 TYR 59 HE2 TYR 59 -1.806 -5.234 -18.952 491 HH TYR 59 HH TYR 59 -3.265 -3.473 -18.261 492 H ASN 60 H ASN 60 -2.573 -8.606 -15.366 493 HA ASN 60 HA ASN 60 -2.569 -10.817 -17.257 494 1HB ASN 60 2HB ASN 60 -4.953 -9.208 -16.338 495 2HB ASN 60 1HB ASN 60 -4.946 -10.823 -17.037 496 1HD2 ASN 60 1HD2 ASN 60 -3.678 -12.457 -15.761 497 2HD2 ASN 60 2HD2 ASN 60 -3.853 -12.409 -14.043 498 H SER 61 H SER 61 -4.800 -9.996 -18.821 499 HA SER 61 HA SER 61 -3.763 -7.658 -20.262 500 1HB SER 61 2HB SER 61 -2.929 -9.655 -21.413 501 2HB SER 61 1HB SER 61 -4.572 -10.284 -21.533 502 HG SER 61 HG SER 61 -3.808 -7.785 -22.620 503 H VAL 62 H VAL 62 -6.463 -9.931 -19.884 504 HA VAL 62 HA VAL 62 -8.424 -8.593 -21.295 505 HB VAL 62 HB VAL 62 -10.056 -9.628 -19.680 506 1HG1 VAL 62 1HG1 VAL 62 -8.011 -11.070 -21.260 507 2HG1 VAL 62 2HG1 VAL 62 -9.767 -11.046 -21.427 508 3HG1 VAL 62 3HG1 VAL 62 -9.013 -12.040 -20.179 509 1HG2 VAL 62 1HG2 VAL 62 -7.701 -11.013 -18.453 510 2HG2 VAL 62 2HG2 VAL 62 -9.361 -10.902 -17.866 511 3HG2 VAL 62 3HG2 VAL 62 -8.301 -9.494 -17.787 512 H ASP 63 H ASP 63 -10.376 -7.484 -20.302 513 HA ASP 63 HA ASP 63 -9.610 -5.020 -19.229 514 1HB ASP 63 2HB ASP 63 -11.770 -5.653 -20.481 515 2HB ASP 63 1HB ASP 63 -12.380 -6.153 -18.906 516 H GLU 64 H GLU 64 -10.202 -8.025 -17.669 517 HA GLU 64 HA GLU 64 -11.086 -7.268 -15.158 518 1HB GLU 64 2HB GLU 64 -10.716 -9.619 -16.052 519 2HB GLU 64 1HB GLU 64 -9.022 -9.416 -15.627 520 1HG GLU 64 2HG GLU 64 -9.911 -8.840 -13.278 521 2HG GLU 64 1HG GLU 64 -11.407 -9.591 -13.833 522 H ILE 65 H ILE 65 -8.010 -6.758 -16.643 523 HA ILE 65 HA ILE 65 -6.330 -6.509 -14.447 524 HB ILE 65 HB ILE 65 -5.015 -4.914 -15.849 525 1HG1 ILE 65 2HG1 ILE 65 -6.065 -5.060 -18.346 526 2HG1 ILE 65 1HG1 ILE 65 -7.539 -4.966 -17.390 527 1HG2 ILE 65 1HG2 ILE 65 -4.399 -7.135 -16.129 528 2HG2 ILE 65 2HG2 ILE 65 -4.738 -6.609 -17.779 529 3HG2 ILE 65 3HG2 ILE 65 -5.928 -7.565 -16.896 530 1HD1 ILE 65 1HD1 ILE 65 -5.526 -2.926 -17.958 531 2HD1 ILE 65 2HD1 ILE 65 -6.058 -2.987 -16.277 532 3HD1 ILE 65 3HD1 ILE 65 -7.237 -2.763 -17.568 533 H ARG 66 H ARG 66 -8.518 -4.116 -15.884 534 HA ARG 66 HA ARG 66 -7.721 -2.054 -14.045 535 1HB ARG 66 2HB ARG 66 -9.167 -0.634 -15.201 536 2HB ARG 66 1HB ARG 66 -8.627 -1.757 -16.440 537 1HG ARG 66 2HG ARG 66 -10.742 -3.056 -16.032 538 2HG ARG 66 1HG ARG 66 -11.279 -1.711 -15.027 539 1HD ARG 66 2HD ARG 66 -10.338 -0.619 -17.459 540 2HD ARG 66 1HD ARG 66 -11.377 -1.985 -17.867 541 HE ARG 66 HE ARG 66 -12.800 -0.607 -16.002 542 1HH1 ARG 66 2HH1 ARG 66 -11.310 0.247 -19.040 543 2HH1 ARG 66 1HH1 ARG 66 -12.469 1.482 -19.404 544 1HH2 ARG 66 1HH2 ARG 66 -14.319 1.020 -16.474 545 2HH2 ARG 66 2HH2 ARG 66 -14.178 1.921 -17.946 546 H LYS 67 H LYS 67 -10.425 -4.301 -14.336 547 HA LYS 67 HA LYS 67 -12.089 -3.235 -12.365 548 1HB LYS 67 2HB LYS 67 -12.469 -5.194 -14.042 549 2HB LYS 67 1HB LYS 67 -11.829 -6.198 -12.748 550 1HG LYS 67 2HG LYS 67 -13.595 -5.561 -11.279 551 2HG LYS 67 1HG LYS 67 -14.166 -4.334 -12.413 552 1HD LYS 67 2HD LYS 67 -14.220 -6.568 -13.965 553 2HD LYS 67 1HD LYS 67 -14.617 -7.236 -12.381 554 1HE LYS 67 2HE LYS 67 -16.708 -6.670 -13.112 555 2HE LYS 67 1HE LYS 67 -16.252 -5.177 -12.291 556 1HZ LYS 67 1HZ LYS 67 -17.180 -5.248 -14.773 557 2HZ LYS 67 2HZ LYS 67 -15.525 -5.368 -15.100 558 3HZ LYS 67 3HZ LYS 67 -16.120 -4.051 -14.221 559 H GLU 68 H GLU 68 -9.584 -5.743 -12.063 560 HA GLU 68 HA GLU 68 -9.879 -6.184 -9.315 561 1HB GLU 68 2HB GLU 68 -8.510 -7.479 -11.118 562 2HB GLU 68 1HB GLU 68 -7.207 -6.390 -10.661 563 1HG GLU 68 2HG GLU 68 -6.886 -8.314 -9.375 564 2HG GLU 68 1HG GLU 68 -7.610 -7.141 -8.276 565 H LEU 69 H LEU 69 -7.567 -4.081 -11.032 566 HA LEU 69 HA LEU 69 -6.410 -3.024 -8.676 567 1HB LEU 69 2HB LEU 69 -5.857 -2.907 -11.370 568 2HB LEU 69 1HB LEU 69 -6.345 -1.260 -11.009 569 HG LEU 69 HG LEU 69 -4.639 -1.212 -9.187 570 1HD1 LEU 69 1HD1 LEU 69 -4.618 -3.794 -9.092 571 2HD1 LEU 69 2HD1 LEU 69 -3.108 -2.916 -8.852 572 3HD1 LEU 69 3HD1 LEU 69 -3.452 -3.670 -10.408 573 1HD2 LEU 69 1HD2 LEU 69 -4.336 -0.596 -11.735 574 2HD2 LEU 69 2HD2 LEU 69 -3.186 -1.932 -11.679 575 3HD2 LEU 69 3HD2 LEU 69 -2.980 -0.544 -10.609 576 H GLU 70 H GLU 70 -8.647 -1.479 -11.000 577 HA GLU 70 HA GLU 70 -9.122 0.869 -9.662 578 1HB GLU 70 2HB GLU 70 -10.032 0.088 -11.926 579 2HB GLU 70 1HB GLU 70 -11.340 -0.654 -11.017 580 1HG GLU 70 2HG GLU 70 -12.386 1.286 -10.736 581 2HG GLU 70 1HG GLU 70 -10.902 2.114 -10.266 582 H GLU 71 H GLU 71 -10.401 -2.314 -8.971 583 HA GLU 71 HA GLU 71 -12.435 -1.564 -7.173 584 1HB GLU 71 2HB GLU 71 -10.978 -4.039 -7.858 585 2HB GLU 71 1HB GLU 71 -11.652 -3.995 -6.235 586 1HG GLU 71 2HG GLU 71 -13.841 -3.307 -7.358 587 2HG GLU 71 1HG GLU 71 -13.083 -3.827 -8.862 588 H ALA 72 H ALA 72 -9.015 -2.359 -6.707 589 HA ALA 72 HA ALA 72 -9.124 -1.955 -3.862 590 1HB ALA 72 1HB ALA 72 -7.545 -3.523 -5.026 591 2HB ALA 72 2HB ALA 72 -6.796 -2.436 -3.857 592 3HB ALA 72 3HB ALA 72 -6.659 -2.105 -5.584 593 H GLY 73 H GLY 73 -8.548 0.019 -6.652 594 1HA GLY 73 2HA GLY 73 -6.989 2.068 -5.588 595 2HA GLY 73 1HA GLY 73 -8.166 2.270 -6.876 596 H ALA 74 H ALA 74 -10.524 2.246 -6.012 597 HA ALA 74 HA ALA 74 -10.937 3.252 -3.364 598 1HB ALA 74 1HB ALA 74 -10.338 5.369 -3.895 599 2HB ALA 74 2HB ALA 74 -11.989 5.430 -4.512 600 3HB ALA 74 3HB ALA 74 -10.645 5.142 -5.617 601 H LYS 75 H LYS 75 -11.945 1.186 -5.206 602 HA LYS 75 HA LYS 75 -14.723 2.018 -5.580 603 1HB LYS 75 2HB LYS 75 -12.944 0.322 -7.033 604 2HB LYS 75 1HB LYS 75 -14.329 -0.627 -6.508 605 1HG LYS 75 2HG LYS 75 -15.352 1.802 -7.492 606 2HG LYS 75 1HG LYS 75 -14.130 1.261 -8.645 607 1HD LYS 75 2HD LYS 75 -16.136 -0.691 -7.601 608 2HD LYS 75 1HD LYS 75 -16.609 0.450 -8.861 609 1HE LYS 75 2HE LYS 75 -14.156 -0.556 -9.706 610 2HE LYS 75 1HE LYS 75 -15.006 -1.953 -9.046 611 1HZ LYS 75 1HZ LYS 75 -16.459 -1.953 -10.725 612 2HZ LYS 75 2HZ LYS 75 -15.330 -0.990 -11.537 613 3HZ LYS 75 3HZ LYS 75 -16.631 -0.270 -10.732 614 H ILE 76 H ILE 76 -13.381 -1.130 -4.834 615 HA ILE 76 HA ILE 76 -15.538 -1.867 -3.155 616 HB ILE 76 HB ILE 76 -12.822 -3.171 -3.134 617 1HG1 ILE 76 2HG1 ILE 76 -13.423 -2.978 -5.458 618 2HG1 ILE 76 1HG1 ILE 76 -13.725 -4.637 -4.956 619 1HG2 ILE 76 1HG2 ILE 76 -14.252 -4.026 -1.437 620 2HG2 ILE 76 2HG2 ILE 76 -14.236 -5.211 -2.742 621 3HG2 ILE 76 3HG2 ILE 76 -15.616 -4.130 -2.549 622 1HD1 ILE 76 1HD1 ILE 76 -15.511 -2.774 -6.138 623 2HD1 ILE 76 2HD1 ILE 76 -16.110 -3.192 -4.533 624 3HD1 ILE 76 3HD1 ILE 76 -15.790 -4.463 -5.713 625 H ASN 77 H ASN 77 -15.379 -2.477 -0.876 626 HA ASN 77 HA ASN 77 -14.514 -0.368 0.738 627 1HB ASN 77 2HB ASN 77 -16.287 -2.107 1.269 628 2HB ASN 77 1HB ASN 77 -14.970 -3.192 1.704 629 1HD2 ASN 77 1HD2 ASN 77 -15.610 0.253 2.270 630 2HD2 ASN 77 2HD2 ASN 77 -15.422 0.179 3.986 631 H HIS 78 H HIS 78 -12.798 -3.105 -0.469 632 HA HIS 78 HA HIS 78 -10.632 -3.767 -0.284 633 1HB HIS 78 2HB HIS 78 -10.148 -1.368 -0.641 634 2HB HIS 78 1HB HIS 78 -10.237 -1.104 1.096 635 HD1 HIS 78 HD1 HIS 78 -8.168 -1.588 2.449 636 HD2 HIS 78 HD2 HIS 78 -7.878 -2.937 -1.469 637 HE1 HIS 78 HE1 HIS 78 -5.774 -2.297 2.158 638 HE2 HIS 78 HE2 HIS 78 -5.653 -3.219 -0.183 639 H THR 79 H THR 79 -8.926 -4.366 1.312 640 HA THR 79 HA THR 79 -8.318 -5.506 3.161 641 HB THR 79 HB THR 79 -8.469 -3.127 4.042 642 HG1 THR 79 HG1 THR 79 -7.400 -4.345 5.403 643 1HG2 THR 79 1HG2 THR 79 -11.112 -4.129 4.973 644 2HG2 THR 79 2HG2 THR 79 -10.645 -2.529 4.399 645 3HG2 THR 79 3HG2 THR 79 -10.175 -3.062 6.013 646 H THR 80 H THR 80 -8.884 -7.292 4.259 647 HA THR 80 HA THR 80 -11.223 -7.949 5.512 648 HB THR 80 HB THR 80 -12.571 -7.712 3.602 649 HG1 THR 80 HG1 THR 80 -13.227 -9.615 4.299 650 1HG2 THR 80 1HG2 THR 80 -10.226 -8.261 2.133 651 2HG2 THR 80 2HG2 THR 80 -11.795 -7.718 1.539 652 3HG2 THR 80 3HG2 THR 80 -11.445 -9.443 1.657 653 H LEU 81 H LEU 81 -8.634 -9.016 3.429 654 HA LEU 81 HA LEU 81 -7.134 -10.709 3.619 655 1HB LEU 81 2HB LEU 81 -8.271 -10.539 6.294 656 2HB LEU 81 1HB LEU 81 -7.746 -12.164 5.896 657 HG LEU 81 HG LEU 81 -6.009 -9.700 5.726 658 1HD1 LEU 81 1HD1 LEU 81 -4.848 -10.948 7.661 659 2HD1 LEU 81 2HD1 LEU 81 -6.395 -11.771 7.852 660 3HD1 LEU 81 3HD1 LEU 81 -6.305 -10.016 8.004 661 1HD2 LEU 81 1HD2 LEU 81 -5.692 -11.972 4.317 662 2HD2 LEU 81 2HD2 LEU 81 -4.854 -12.410 5.806 663 3HD2 LEU 81 3HD2 LEU 81 -4.351 -10.984 4.898 664 H LYS 82 H LYS 82 -10.318 -11.081 3.081 665 HA LYS 82 HA LYS 82 -10.410 -13.977 3.119 666 1HB LYS 82 2HB LYS 82 -12.357 -12.185 3.478 667 2HB LYS 82 1HB LYS 82 -12.503 -12.373 1.736 668 1HG LYS 82 2HG LYS 82 -12.890 -14.735 1.973 669 2HG LYS 82 1HG LYS 82 -12.594 -14.642 3.710 670 1HD LYS 82 2HD LYS 82 -14.661 -12.809 2.718 671 2HD LYS 82 1HD LYS 82 -15.051 -14.521 2.548 672 1HE LYS 82 2HE LYS 82 -14.104 -13.260 5.114 673 2HE LYS 82 1HE LYS 82 -15.803 -13.475 4.697 674 1HZ LYS 82 1HZ LYS 82 -15.589 -15.793 4.762 675 2HZ LYS 82 2HZ LYS 82 -14.747 -15.252 6.125 676 3HZ LYS 82 3HZ LYS 82 -13.897 -15.739 4.746 677 H ILE 83 H ILE 83 -10.390 -11.367 0.712 678 HA ILE 83 HA ILE 83 -10.496 -13.003 -1.569 679 HB ILE 83 HB ILE 83 -9.381 -11.058 -2.736 680 1HG1 ILE 83 2HG1 ILE 83 -9.763 -9.548 -0.168 681 2HG1 ILE 83 1HG1 ILE 83 -8.243 -10.376 -0.490 682 1HG2 ILE 83 1HG2 ILE 83 -11.345 -9.469 -2.120 683 2HG2 ILE 83 2HG2 ILE 83 -11.897 -10.830 -1.144 684 3HG2 ILE 83 3HG2 ILE 83 -11.683 -11.023 -2.883 685 1HD1 ILE 83 1HD1 ILE 83 -9.173 -8.701 -2.693 686 2HD1 ILE 83 2HD1 ILE 83 -7.579 -8.825 -1.949 687 3HD1 ILE 83 3HD1 ILE 83 -8.825 -7.820 -1.206 688 H LEU 84 H LEU 84 -7.863 -12.047 0.523 689 HA LEU 84 HA LEU 84 -5.762 -12.915 -1.185 690 1HB LEU 84 2HB LEU 84 -5.925 -12.394 1.778 691 2HB LEU 84 1HB LEU 84 -4.456 -12.975 1.019 692 HG LEU 84 HG LEU 84 -4.993 -10.824 -0.544 693 1HD1 LEU 84 1HD1 LEU 84 -6.877 -10.471 1.328 694 2HD1 LEU 84 2HD1 LEU 84 -6.074 -9.139 0.495 695 3HD1 LEU 84 3HD1 LEU 84 -5.531 -9.633 2.099 696 1HD2 LEU 84 1HD2 LEU 84 -2.857 -11.368 0.512 697 2HD2 LEU 84 2HD2 LEU 84 -3.479 -10.808 2.065 698 3HD2 LEU 84 3HD2 LEU 84 -3.268 -9.667 0.737 699 H GLU 85 H GLU 85 -7.517 -14.393 1.521 700 HA GLU 85 HA GLU 85 -6.095 -16.841 1.480 701 1HB GLU 85 2HB GLU 85 -7.848 -15.762 3.201 702 2HB GLU 85 1HB GLU 85 -8.941 -16.831 2.333 703 1HG GLU 85 2HG GLU 85 -8.088 -18.672 3.270 704 2HG GLU 85 1HG GLU 85 -6.429 -18.086 3.154 705 H GLY 86 H GLY 86 -8.536 -15.519 -0.554 706 1HA GLY 86 2HA GLY 86 -9.484 -18.074 -1.525 707 2HA GLY 86 1HA GLY 86 -9.937 -16.489 -2.133 708 H HIS 87 H HIS 87 -7.151 -15.640 -2.541 709 HA HIS 87 HA HIS 87 -5.870 -17.471 -4.297 710 1HB HIS 87 2HB HIS 87 -6.272 -16.227 -6.414 711 2HB HIS 87 1HB HIS 87 -7.722 -16.994 -5.776 712 HD1 HIS 87 HD1 HIS 87 -6.343 -13.743 -6.776 713 HD2 HIS 87 HD2 HIS 87 -9.583 -15.137 -4.580 714 HE1 HIS 87 HE1 HIS 87 -7.911 -11.786 -6.574 715 HE2 HIS 87 HE2 HIS 87 -9.814 -12.626 -5.150 716 H LEU 88 HN LEU 88 -4.494 -16.442 -2.479 717 HA LEU 88 HA LEU 88 -2.613 -14.722 -3.716 718 1HB LEU 88 2HB LEU 88 -4.665 -13.273 -2.790 719 2HB LEU 88 1HB LEU 88 -3.724 -13.383 -1.315 720 HG LEU 88 HG LEU 88 -1.820 -12.337 -2.398 721 1HD1 LEU 88 1HD1 LEU 88 -3.520 -12.614 -4.843 722 2HD1 LEU 88 2HD1 LEU 88 -1.825 -13.037 -4.605 723 3HD1 LEU 88 3HD1 LEU 88 -2.301 -11.344 -4.735 724 1HD2 LEU 88 1HD2 LEU 88 -3.085 -10.157 -3.148 725 2HD2 LEU 88 2HD2 LEU 88 -3.078 -10.669 -1.460 726 3HD2 LEU 88 3HD2 LEU 88 -4.480 -11.002 -2.476 Start of MODEL 3 1 1H LEU 1 1H LEU 1 -7.948 16.786 -4.885 2 2H LEU 1 2H LEU 1 -8.582 16.751 -3.291 3 3H LEU 1 3H LEU 1 -7.717 18.127 -3.843 4 HA LEU 1 HA LEU 1 -10.130 18.406 -3.765 5 1HB LEU 1 2HB LEU 1 -10.144 19.135 -6.296 6 2HB LEU 1 1HB LEU 1 -9.138 19.960 -5.121 7 HG LEU 1 HG LEU 1 -7.261 18.378 -5.876 8 1HD1 LEU 1 1HD1 LEU 1 -8.198 16.714 -7.135 9 2HD1 LEU 1 2HD1 LEU 1 -7.711 17.837 -8.405 10 3HD1 LEU 1 3HD1 LEU 1 -9.390 17.787 -7.868 11 1HD2 LEU 1 1HD2 LEU 1 -6.914 20.560 -6.488 12 2HD2 LEU 1 2HD2 LEU 1 -8.423 20.663 -7.394 13 3HD2 LEU 1 3HD2 LEU 1 -7.044 19.797 -8.072 14 H PHE 2 H PHE 2 -11.983 17.342 -3.912 15 HA PHE 2 HA PHE 2 -13.571 15.826 -4.508 16 1HB PHE 2 2HB PHE 2 -13.215 17.210 -6.674 17 2HB PHE 2 1HB PHE 2 -12.393 15.774 -7.273 18 HD1 PHE 2 HD1 PHE 2 -13.668 14.414 -8.595 19 HD2 PHE 2 HD2 PHE 2 -15.550 16.543 -5.428 20 HE1 PHE 2 HE1 PHE 2 -15.836 13.441 -9.235 21 HE2 PHE 2 HE2 PHE 2 -17.721 15.574 -6.061 22 HZ PHE 2 HZ PHE 2 -17.865 14.020 -7.967 23 H ILE 3 H ILE 3 -11.139 14.797 -3.431 24 HA ILE 3 HA ILE 3 -10.167 12.784 -3.005 25 HB ILE 3 HB ILE 3 -12.197 11.587 -4.891 26 1HG1 ILE 3 2HG1 ILE 3 -13.281 12.969 -3.142 27 2HG1 ILE 3 1HG1 ILE 3 -13.630 11.253 -2.951 28 1HG2 ILE 3 1HG2 ILE 3 -10.550 9.981 -4.422 29 2HG2 ILE 3 2HG2 ILE 3 -11.871 9.618 -3.312 30 3HG2 ILE 3 3HG2 ILE 3 -10.438 10.467 -2.730 31 1HD1 ILE 3 1HD1 ILE 3 -13.178 11.833 -0.797 32 2HD1 ILE 3 2HD1 ILE 3 -11.997 13.060 -1.255 33 3HD1 ILE 3 3HD1 ILE 3 -11.568 11.350 -1.331 34 H ALA 4 H ALA 4 -8.473 13.915 -4.377 35 HA ALA 4 HA ALA 4 -8.072 12.784 -7.022 36 1HB ALA 4 1HB ALA 4 -6.646 14.492 -7.403 37 2HB ALA 4 2HB ALA 4 -5.927 14.393 -5.795 38 3HB ALA 4 3HB ALA 4 -7.474 15.209 -6.020 39 H THR 5 H THR 5 -7.744 10.587 -6.552 40 HA THR 5 HA THR 5 -5.421 9.903 -4.911 41 HB THR 5 HB THR 5 -6.253 7.678 -4.846 42 HG1 THR 5 HG1 THR 5 -7.874 8.483 -7.014 43 1HG2 THR 5 1HG2 THR 5 -8.558 7.867 -4.097 44 2HG2 THR 5 2HG2 THR 5 -8.655 9.488 -4.786 45 3HG2 THR 5 3HG2 THR 5 -7.562 9.167 -3.441 46 H LEU 6 H LEU 6 -4.015 8.116 -5.734 47 HA LEU 6 HA LEU 6 -3.794 7.835 -8.597 48 1HB LEU 6 2HB LEU 6 -1.313 8.573 -8.433 49 2HB LEU 6 1HB LEU 6 -2.564 9.786 -8.623 50 HG LEU 6 HG LEU 6 -0.743 10.327 -6.963 51 1HD1 LEU 6 1HD1 LEU 6 -3.237 10.338 -5.398 52 2HD1 LEU 6 2HD1 LEU 6 -3.333 11.047 -7.010 53 3HD1 LEU 6 3HD1 LEU 6 -2.165 11.666 -5.844 54 1HD2 LEU 6 1HD2 LEU 6 -0.595 9.247 -4.913 55 2HD2 LEU 6 2HD2 LEU 6 -0.812 7.916 -6.050 56 3HD2 LEU 6 3HD2 LEU 6 -2.176 8.485 -5.087 57 H LYS 7 H LYS 7 -1.760 6.485 -9.122 58 HA LYS 7 HA LYS 7 -1.086 4.678 -6.915 59 1HB LYS 7 2HB LYS 7 -1.504 2.709 -8.298 60 2HB LYS 7 1HB LYS 7 -2.973 3.654 -8.099 61 1HG LYS 7 2HG LYS 7 -1.270 4.109 -10.500 62 2HG LYS 7 1HG LYS 7 -2.313 2.687 -10.430 63 1HD LYS 7 2HD LYS 7 -3.465 5.348 -9.743 64 2HD LYS 7 1HD LYS 7 -3.177 4.958 -11.440 65 1HE LYS 7 2HE LYS 7 -5.154 3.933 -11.418 66 2HE LYS 7 1HE LYS 7 -4.393 2.686 -10.431 67 1HZ LYS 7 1HZ LYS 7 -5.335 5.043 -9.014 68 2HZ LYS 7 2HZ LYS 7 -5.409 3.412 -8.573 69 3HZ LYS 7 3HZ LYS 7 -6.536 4.044 -9.664 70 H GLY 8 H GLY 8 0.940 3.809 -6.993 71 1HA GLY 8 2HA GLY 8 2.670 4.826 -9.150 72 2HA GLY 8 1HA GLY 8 3.211 4.393 -7.535 73 H ILE 9 H ILE 9 3.156 3.421 -10.695 74 HA ILE 9 HA ILE 9 3.112 0.562 -10.108 75 HB ILE 9 HB ILE 9 3.517 1.882 -12.789 76 1HG1 ILE 9 2HG1 ILE 9 0.960 0.916 -11.491 77 2HG1 ILE 9 1HG1 ILE 9 1.375 2.591 -11.839 78 1HG2 ILE 9 1HG2 ILE 9 4.026 -0.662 -12.152 79 2HG2 ILE 9 2HG2 ILE 9 3.396 -0.177 -13.725 80 3HG2 ILE 9 3HG2 ILE 9 2.300 -0.796 -12.491 81 1HD1 ILE 9 1HD1 ILE 9 0.311 2.344 -13.763 82 2HD1 ILE 9 2HD1 ILE 9 0.179 0.599 -13.538 83 3HD1 ILE 9 3HD1 ILE 9 1.626 1.286 -14.275 84 H PHE 10 H PHE 10 4.938 -0.265 -9.355 85 HA PHE 10 HA PHE 10 7.412 0.201 -10.840 86 1HB PHE 10 2HB PHE 10 8.204 0.067 -8.126 87 2HB PHE 10 1HB PHE 10 8.381 1.417 -9.236 88 HD1 PHE 10 HD1 PHE 10 7.386 3.433 -8.723 89 HD2 PHE 10 HD2 PHE 10 5.887 -0.131 -6.947 90 HE1 PHE 10 HE1 PHE 10 5.869 4.773 -7.324 91 HE2 PHE 10 HE2 PHE 10 4.365 1.202 -5.549 92 HZ PHE 10 HZ PHE 10 4.356 3.657 -5.734 93 H THR 11 H THR 11 9.092 -1.440 -10.259 94 HA THR 11 HA THR 11 8.125 -3.807 -8.889 95 HB THR 11 HB THR 11 8.181 -5.294 -10.695 96 HG1 THR 11 HG1 THR 11 9.052 -4.720 -12.722 97 1HG2 THR 11 1HG2 THR 11 6.825 -4.344 -12.512 98 2HG2 THR 11 2HG2 THR 11 7.064 -2.739 -11.821 99 3HG2 THR 11 3HG2 THR 11 6.188 -3.970 -10.911 100 H LEU 12 H LEU 12 9.802 -5.475 -8.666 101 HA LEU 12 HA LEU 12 12.191 -4.546 -7.687 102 1HB LEU 12 2HB LEU 12 11.102 -6.891 -7.568 103 2HB LEU 12 1HB LEU 12 12.005 -7.225 -9.029 104 HG LEU 12 HG LEU 12 13.219 -6.416 -6.392 105 1HD1 LEU 12 1HD1 LEU 12 12.155 -8.714 -6.543 106 2HD1 LEU 12 2HD1 LEU 12 13.861 -8.668 -6.109 107 3HD1 LEU 12 3HD1 LEU 12 13.379 -9.092 -7.751 108 1HD2 LEU 12 1HD2 LEU 12 14.825 -5.722 -7.833 109 2HD2 LEU 12 2HD2 LEU 12 14.302 -6.812 -9.117 110 3HD2 LEU 12 3HD2 LEU 12 15.245 -7.430 -7.764 111 H LYS 13 H LYS 13 11.329 -5.255 -10.972 112 HA LYS 13 HA LYS 13 14.083 -4.819 -11.869 113 1HB LYS 13 2HB LYS 13 12.492 -5.355 -14.111 114 2HB LYS 13 1HB LYS 13 13.605 -6.455 -13.319 115 1HG LYS 13 2HG LYS 13 10.669 -6.174 -12.699 116 2HG LYS 13 1HG LYS 13 11.405 -7.459 -13.652 117 1HD LYS 13 2HD LYS 13 11.395 -7.032 -10.710 118 2HD LYS 13 1HD LYS 13 11.263 -8.519 -11.631 119 1HE LYS 13 2HE LYS 13 13.774 -6.932 -11.120 120 2HE LYS 13 1HE LYS 13 13.351 -8.492 -10.416 121 1HZ LYS 13 1HZ LYS 13 14.133 -9.544 -12.192 122 2HZ LYS 13 2HZ LYS 13 14.791 -8.075 -12.709 123 3HZ LYS 13 3HZ LYS 13 13.271 -8.563 -13.267 124 H ASP 14 H ASP 14 10.849 -3.553 -11.999 125 HA ASP 14 HA ASP 14 11.724 -1.283 -13.632 126 1HB ASP 14 2HB ASP 14 9.660 -2.456 -14.327 127 2HB ASP 14 1HB ASP 14 8.943 -2.105 -12.757 128 H LEU 15 H LEU 15 12.734 -1.513 -11.067 129 HA LEU 15 HA LEU 15 11.780 -0.588 -8.833 130 1HB LEU 15 2HB LEU 15 14.277 -0.255 -10.180 131 2HB LEU 15 1HB LEU 15 13.921 1.209 -9.283 132 HG LEU 15 HG LEU 15 13.743 -0.033 -7.220 133 1HD1 LEU 15 1HD1 LEU 15 13.856 -2.383 -9.043 134 2HD1 LEU 15 2HD1 LEU 15 12.819 -2.086 -7.648 135 3HD1 LEU 15 3HD1 LEU 15 14.511 -2.528 -7.412 136 1HD2 LEU 15 1HD2 LEU 15 15.988 -0.386 -6.885 137 2HD2 LEU 15 2HD2 LEU 15 16.017 0.590 -8.354 138 3HD2 LEU 15 3HD2 LEU 15 16.211 -1.161 -8.454 139 HA PRO 16 HA PRO 16 9.293 3.044 -8.992 140 1HB PRO 16 2HB PRO 16 11.055 3.895 -6.724 141 2HB PRO 16 1HB PRO 16 9.292 3.959 -6.860 142 1HG PRO 16 2HG PRO 16 10.441 2.036 -5.443 143 2HG PRO 16 1HG PRO 16 9.049 1.675 -6.479 144 1HD PRO 16 2HD PRO 16 11.931 1.043 -6.889 145 2HD PRO 16 1HD PRO 16 10.490 0.138 -7.396 146 H GLU 17 H GLU 17 10.039 3.882 -10.934 147 HA GLU 17 HA GLU 17 12.479 5.298 -11.219 148 1HB GLU 17 2HB GLU 17 11.012 4.209 -13.025 149 2HB GLU 17 1HB GLU 17 10.048 5.677 -12.951 150 1HG GLU 17 2HG GLU 17 11.581 6.899 -14.046 151 2HG GLU 17 1HG GLU 17 12.938 6.097 -13.256 152 H GLU 18 H GLU 18 9.721 6.126 -9.537 153 HA GLU 18 HA GLU 18 9.426 8.843 -10.205 154 1HB GLU 18 2HB GLU 18 8.754 7.437 -7.624 155 2HB GLU 18 1HB GLU 18 8.178 9.030 -8.096 156 1HG GLU 18 2HG GLU 18 7.006 8.042 -9.998 157 2HG GLU 18 1HG GLU 18 7.578 6.446 -9.519 158 H PHE 19 H PHE 19 11.492 7.186 -7.934 159 HA PHE 19 HA PHE 19 13.299 9.362 -7.822 160 1HB PHE 19 2HB PHE 19 11.144 9.654 -6.091 161 2HB PHE 19 1HB PHE 19 12.441 9.056 -5.062 162 HD1 PHE 19 HD1 PHE 19 10.955 11.923 -6.331 163 HD2 PHE 19 HD2 PHE 19 14.784 10.250 -5.523 164 HE1 PHE 19 HE1 PHE 19 11.918 14.185 -6.236 165 HE2 PHE 19 HE2 PHE 19 15.754 12.509 -5.426 166 HZ PHE 19 HZ PHE 19 14.321 14.480 -5.782 167 H ARG 20 H ARG 20 12.450 7.177 -5.141 168 HA ARG 20 HA ARG 20 14.910 5.664 -5.685 169 1HB ARG 20 2HB ARG 20 15.520 7.267 -4.000 170 2HB ARG 20 1HB ARG 20 14.087 6.894 -3.052 171 1HG ARG 20 2HG ARG 20 15.435 4.464 -3.338 172 2HG ARG 20 1HG ARG 20 16.685 5.663 -3.011 173 1HD ARG 20 2HD ARG 20 14.205 5.173 -1.366 174 2HD ARG 20 1HD ARG 20 15.848 4.697 -0.940 175 HE ARG 20 HE ARG 20 15.859 7.445 -1.375 176 1HH1 ARG 20 2HH1 ARG 20 14.437 5.164 0.850 177 2HH1 ARG 20 1HH1 ARG 20 14.380 6.290 2.164 178 1HH2 ARG 20 1HH2 ARG 20 15.784 8.929 0.353 179 2HH2 ARG 20 2HH2 ARG 20 15.143 8.427 1.882 180 HA PRO 21 HA PRO 21 12.361 2.061 -5.227 181 1HB PRO 21 2HB PRO 21 14.824 0.890 -4.030 182 2HB PRO 21 1HB PRO 21 13.814 0.283 -5.346 183 1HG PRO 21 2HG PRO 21 16.168 1.392 -5.867 184 2HG PRO 21 1HG PRO 21 14.770 1.714 -6.912 185 1HD PRO 21 2HD PRO 21 16.016 3.449 -4.821 186 2HD PRO 21 1HD PRO 21 15.327 3.895 -6.396 187 H PHE 22 H PHE 22 10.900 2.425 -3.611 188 HA PHE 22 HA PHE 22 11.815 2.267 -0.831 189 1HB PHE 22 2HB PHE 22 10.492 4.187 -1.096 190 2HB PHE 22 1HB PHE 22 9.345 3.368 -2.148 191 HD1 PHE 22 HD1 PHE 22 10.663 2.636 1.268 192 HD2 PHE 22 HD2 PHE 22 7.264 3.350 -1.192 193 HE1 PHE 22 HE1 PHE 22 9.187 2.235 3.196 194 HE2 PHE 22 HE2 PHE 22 5.782 2.952 0.733 195 HZ PHE 22 HZ PHE 22 6.744 2.393 2.930 196 H VAL 23 H VAL 23 9.898 0.603 -3.216 197 HA VAL 23 HA VAL 23 8.932 -1.299 -1.207 198 HB VAL 23 HB VAL 23 7.277 -0.387 -2.787 199 1HG1 VAL 23 1HG1 VAL 23 7.504 -0.386 -5.023 200 2HG1 VAL 23 2HG1 VAL 23 8.229 -1.993 -5.053 201 3HG1 VAL 23 3HG1 VAL 23 9.221 -0.587 -4.671 202 1HG2 VAL 23 1HG2 VAL 23 6.157 -2.293 -2.553 203 2HG2 VAL 23 2HG2 VAL 23 7.664 -3.061 -2.055 204 3HG2 VAL 23 3HG2 VAL 23 7.172 -3.098 -3.748 205 H ASP 24 H ASP 24 11.414 -0.970 -3.501 206 HA ASP 24 HA ASP 24 11.754 -3.460 -4.601 207 1HB ASP 24 2HB ASP 24 13.209 -1.556 -5.115 208 2HB ASP 24 1HB ASP 24 13.917 -1.646 -3.505 209 H TYR 25 H TYR 25 12.189 -2.505 -1.287 210 HA TYR 25 HA TYR 25 13.787 -4.650 -0.415 211 1HB TYR 25 2HB TYR 25 13.320 -3.931 1.762 212 2HB TYR 25 1HB TYR 25 13.119 -2.462 0.813 213 HD1 TYR 25 HD1 TYR 25 10.696 -1.901 0.060 214 HD2 TYR 25 HD2 TYR 25 11.624 -4.624 3.193 215 HE1 TYR 25 HE1 TYR 25 8.424 -1.629 0.960 216 HE2 TYR 25 HE2 TYR 25 9.354 -4.361 4.102 217 HH TYR 25 HH TYR 25 7.013 -3.666 3.034 218 H LYS 26 H LYS 26 10.292 -4.285 -0.741 219 HA LYS 26 HA LYS 26 9.569 -6.711 0.494 220 1HB LYS 26 2HB LYS 26 8.251 -4.586 -0.873 221 2HB LYS 26 1HB LYS 26 7.715 -6.100 -1.588 222 1HG LYS 26 2HG LYS 26 7.773 -6.066 1.347 223 2HG LYS 26 1HG LYS 26 6.615 -4.962 0.601 224 1HD LYS 26 2HD LYS 26 5.381 -6.662 -0.317 225 2HD LYS 26 1HD LYS 26 6.760 -7.759 -0.409 226 1HE LYS 26 2HE LYS 26 6.657 -7.706 2.179 227 2HE LYS 26 1HE LYS 26 5.021 -7.096 1.936 228 1HZ LYS 26 1HZ LYS 26 4.294 -9.081 1.207 229 2HZ LYS 26 2HZ LYS 26 5.610 -9.678 2.082 230 3HZ LYS 26 3HZ LYS 26 5.738 -9.462 0.410 231 H ALA 27 H ALA 27 10.882 -5.983 -2.622 232 HA ALA 27 HA ALA 27 10.037 -8.373 -3.930 233 1HB ALA 27 1HB ALA 27 12.506 -7.180 -4.928 234 2HB ALA 27 2HB ALA 27 11.186 -6.024 -4.760 235 3HB ALA 27 3HB ALA 27 10.973 -7.467 -5.751 236 H GLY 28 H GLY 28 12.917 -7.399 -2.122 237 1HA GLY 28 2HA GLY 28 14.303 -9.873 -2.655 238 2HA GLY 28 1HA GLY 28 14.817 -8.604 -1.554 239 H LEU 29 H LEU 29 12.019 -8.805 -0.351 240 HA LEU 29 HA LEU 29 12.008 -9.630 1.983 241 1HB LEU 29 2HB LEU 29 9.967 -9.559 0.427 242 2HB LEU 29 1HB LEU 29 10.166 -11.296 0.307 243 HG LEU 29 HG LEU 29 10.175 -10.426 3.074 244 1HD1 LEU 29 1HD1 LEU 29 8.691 -8.737 2.801 245 2HD1 LEU 29 2HD1 LEU 29 7.546 -10.078 2.814 246 3HD1 LEU 29 3HD1 LEU 29 8.068 -9.379 1.281 247 1HD2 LEU 29 1HD2 LEU 29 9.610 -12.694 1.710 248 2HD2 LEU 29 2HD2 LEU 29 7.985 -12.086 2.028 249 3HD2 LEU 29 3HD2 LEU 29 9.095 -12.377 3.367 250 H GLU 30 H GLU 30 14.140 -10.678 1.925 251 HA GLU 30 HA GLU 30 15.134 -12.474 3.065 252 1HB GLU 30 2HB GLU 30 12.817 -13.533 3.268 253 2HB GLU 30 1HB GLU 30 13.191 -14.373 1.769 254 1HG GLU 30 2HG GLU 30 14.174 -15.950 2.961 255 2HG GLU 30 1HG GLU 30 15.404 -14.776 3.424 256 H LYS 31 H LYS 31 16.342 -11.421 1.073 257 HA LYS 31 HA LYS 31 17.689 -11.665 -0.748 258 1HB LYS 31 2HB LYS 31 19.158 -13.590 -0.667 259 2HB LYS 31 1HB LYS 31 18.872 -12.997 0.963 260 1HG LYS 31 2HG LYS 31 17.400 -14.795 1.451 261 2HG LYS 31 1HG LYS 31 17.366 -15.305 -0.239 262 1HD LYS 31 2HD LYS 31 19.436 -16.277 -0.129 263 2HD LYS 31 1HD LYS 31 20.000 -15.183 1.135 264 1HE LYS 31 2HE LYS 31 19.623 -17.597 1.813 265 2HE LYS 31 1HE LYS 31 18.853 -16.367 2.816 266 1HZ LYS 31 1HZ LYS 31 16.767 -16.817 1.861 267 2HZ LYS 31 2HZ LYS 31 17.439 -18.333 2.192 268 3HZ LYS 31 3HZ LYS 31 17.433 -17.740 0.608 269 H LYS 32 H LYS 32 15.068 -11.998 -1.401 270 HA LYS 32 HA LYS 32 14.556 -14.366 -2.889 271 1HB LYS 32 2HB LYS 32 12.914 -12.564 -1.967 272 2HB LYS 32 1HB LYS 32 13.230 -11.751 -3.493 273 1HG LYS 32 2HG LYS 32 12.655 -14.154 -4.456 274 2HG LYS 32 1HG LYS 32 11.748 -14.253 -2.946 275 1HD LYS 32 2HD LYS 32 10.734 -12.016 -3.567 276 2HD LYS 32 1HD LYS 32 11.445 -12.244 -5.166 277 1HE LYS 32 2HE LYS 32 10.022 -13.947 -5.707 278 2HE LYS 32 1HE LYS 32 9.826 -14.462 -4.032 279 1HZ LYS 32 1HZ LYS 32 7.832 -13.485 -4.282 280 2HZ LYS 32 2HZ LYS 32 8.337 -12.487 -5.551 281 3HZ LYS 32 3HZ LYS 32 8.685 -12.061 -3.951 282 H LYS 33 H LYS 33 16.682 -11.866 -3.514 283 HA LYS 33 HA LYS 33 17.972 -11.359 -5.312 284 1HB LYS 33 2HB LYS 33 16.537 -13.625 -6.707 285 2HB LYS 33 1HB LYS 33 18.013 -12.843 -7.250 286 1HG LYS 33 2HG LYS 33 18.447 -13.724 -4.598 287 2HG LYS 33 1HG LYS 33 17.710 -15.053 -5.494 288 1HD LYS 33 2HD LYS 33 20.146 -15.132 -5.651 289 2HD LYS 33 1HD LYS 33 19.418 -14.835 -7.230 290 1HE LYS 33 2HE LYS 33 19.974 -12.362 -5.832 291 2HE LYS 33 1HE LYS 33 21.426 -13.348 -6.003 292 1HZ LYS 33 1HZ LYS 33 20.642 -11.696 -7.877 293 2HZ LYS 33 2HZ LYS 33 19.717 -13.029 -8.354 294 3HZ LYS 33 3HZ LYS 33 21.400 -13.162 -8.252 295 H LEU 34 H LEU 34 17.556 -11.069 -7.948 296 HA LEU 34 HA LEU 34 15.203 -9.315 -8.032 297 1HB LEU 34 2HB LEU 34 17.742 -9.191 -9.657 298 2HB LEU 34 1HB LEU 34 16.396 -8.072 -9.786 299 HG LEU 34 HG LEU 34 17.051 -7.995 -7.089 300 1HD1 LEU 34 1HD1 LEU 34 19.313 -7.970 -6.788 301 2HD1 LEU 34 2HD1 LEU 34 19.650 -7.618 -8.484 302 3HD1 LEU 34 3HD1 LEU 34 19.172 -9.245 -7.998 303 1HD2 LEU 34 1HD2 LEU 34 17.135 -5.798 -7.497 304 2HD2 LEU 34 2HD2 LEU 34 16.683 -6.235 -9.144 305 3HD2 LEU 34 3HD2 LEU 34 18.379 -5.976 -8.735 306 H SER 35 H SER 35 13.780 -11.008 -8.641 307 HA SER 35 HA SER 35 14.222 -12.180 -11.291 308 1HB SER 35 2HB SER 35 13.050 -13.146 -8.866 309 2HB SER 35 1HB SER 35 11.817 -13.159 -10.126 310 HG SER 35 HG SER 35 12.771 -14.976 -10.627 311 H ASP 36 H ASP 36 12.869 -11.827 -12.997 312 HA ASP 36 HA ASP 36 11.491 -9.403 -13.193 313 1HB ASP 36 2HB ASP 36 11.036 -11.842 -14.917 314 2HB ASP 36 1HB ASP 36 10.758 -10.160 -15.356 315 H ASP 37 H ASP 37 10.473 -12.358 -11.799 316 HA ASP 37 HA ASP 37 7.665 -12.016 -12.276 317 1HB ASP 37 2HB ASP 37 9.246 -14.126 -11.497 318 2HB ASP 37 1HB ASP 37 8.408 -13.711 -10.004 319 H ASP 38 H ASP 38 9.637 -10.171 -10.460 320 HA ASP 38 HA ASP 38 7.845 -9.951 -8.164 321 1HB ASP 38 2HB ASP 38 10.577 -8.837 -8.771 322 2HB ASP 38 1HB ASP 38 9.618 -8.248 -7.416 323 H GLU 39 H GLU 39 6.065 -8.812 -8.682 324 HA GLU 39 HA GLU 39 6.468 -6.141 -9.860 325 1HB GLU 39 2HB GLU 39 5.027 -8.260 -10.985 326 2HB GLU 39 1HB GLU 39 3.804 -7.190 -10.317 327 1HG GLU 39 2HG GLU 39 5.997 -6.043 -11.973 328 2HG GLU 39 1HG GLU 39 4.660 -6.880 -12.760 329 H ILE 40 H ILE 40 5.481 -4.454 -8.855 330 HA ILE 40 HA ILE 40 3.543 -5.048 -6.729 331 HB ILE 40 HB ILE 40 5.794 -3.083 -6.339 332 1HG1 ILE 40 2HG1 ILE 40 6.256 -5.112 -4.555 333 2HG1 ILE 40 1HG1 ILE 40 5.713 -6.001 -5.975 334 1HG2 ILE 40 1HG2 ILE 40 5.087 -3.126 -4.011 335 2HG2 ILE 40 2HG2 ILE 40 3.828 -4.296 -4.402 336 3HG2 ILE 40 3HG2 ILE 40 3.748 -2.662 -5.061 337 1HD1 ILE 40 1HD1 ILE 40 7.750 -5.831 -6.807 338 2HD1 ILE 40 2HD1 ILE 40 8.253 -4.827 -5.447 339 3HD1 ILE 40 3HD1 ILE 40 7.552 -4.081 -6.882 340 H ALA 41 H ALA 41 2.107 -3.375 -6.218 341 HA ALA 41 HA ALA 41 2.206 -0.942 -7.830 342 1HB ALA 41 1HB ALA 41 0.749 -2.990 -8.786 343 2HB ALA 41 2HB ALA 41 0.324 -1.295 -9.028 344 3HB ALA 41 3HB ALA 41 -0.450 -2.223 -7.743 345 H ILE 42 H ILE 42 2.454 0.343 -6.044 346 HA ILE 42 HA ILE 42 0.751 0.029 -3.731 347 HB ILE 42 HB ILE 42 2.712 2.240 -4.358 348 1HG1 ILE 42 2HG1 ILE 42 3.170 -0.100 -2.516 349 2HG1 ILE 42 1HG1 ILE 42 3.600 -0.166 -4.221 350 1HG2 ILE 42 1HG2 ILE 42 2.586 2.065 -1.654 351 2HG2 ILE 42 2HG2 ILE 42 0.923 1.683 -2.098 352 3HG2 ILE 42 3HG2 ILE 42 1.649 3.200 -2.626 353 1HD1 ILE 42 1HD1 ILE 42 5.460 0.993 -3.885 354 2HD1 ILE 42 2HD1 ILE 42 5.189 0.732 -2.162 355 3HD1 ILE 42 3HD1 ILE 42 4.621 2.215 -2.930 356 H ILE 43 H ILE 43 -0.994 1.226 -3.184 357 HA ILE 43 HA ILE 43 -1.840 3.316 -5.087 358 HB ILE 43 HB ILE 43 -3.737 1.663 -3.432 359 1HG1 ILE 43 2HG1 ILE 43 -2.534 0.100 -4.845 360 2HG1 ILE 43 1HG1 ILE 43 -4.154 0.335 -5.493 361 1HG2 ILE 43 1HG2 ILE 43 -4.955 3.451 -4.147 362 2HG2 ILE 43 2HG2 ILE 43 -5.158 2.389 -5.540 363 3HG2 ILE 43 3HG2 ILE 43 -3.968 3.689 -5.589 364 1HD1 ILE 43 1HD1 ILE 43 -2.212 0.279 -7.135 365 2HD1 ILE 43 2HD1 ILE 43 -1.811 1.885 -6.527 366 3HD1 ILE 43 3HD1 ILE 43 -3.373 1.597 -7.292 367 H SER 44 H SER 44 -2.993 5.110 -4.238 368 HA SER 44 HA SER 44 -2.964 5.438 -1.331 369 1HB SER 44 2HB SER 44 -2.155 7.936 -2.239 370 2HB SER 44 1HB SER 44 -1.132 6.741 -1.442 371 HG SER 44 HG SER 44 -1.576 6.729 -4.234 372 H ILE 45 H ILE 45 -4.879 6.151 -0.681 373 HA ILE 45 HA ILE 45 -6.514 7.701 -2.582 374 HB ILE 45 HB ILE 45 -8.471 6.877 -1.170 375 1HG1 ILE 45 2HG1 ILE 45 -6.361 4.896 -0.278 376 2HG1 ILE 45 1HG1 ILE 45 -7.181 6.068 0.748 377 1HG2 ILE 45 1HG2 ILE 45 -8.412 4.601 -2.323 378 2HG2 ILE 45 2HG2 ILE 45 -6.836 5.092 -2.945 379 3HG2 ILE 45 3HG2 ILE 45 -8.275 6.032 -3.346 380 1HD1 ILE 45 1HD1 ILE 45 -8.882 4.691 1.080 381 2HD1 ILE 45 2HD1 ILE 45 -7.925 3.442 0.283 382 3HD1 ILE 45 3HD1 ILE 45 -9.074 4.404 -0.650 383 H LYS 46 H LYS 46 -5.651 7.321 0.835 384 HA LYS 46 HA LYS 46 -5.532 10.072 1.339 385 1HB LYS 46 2HB LYS 46 -8.102 9.527 1.063 386 2HB LYS 46 1HB LYS 46 -7.940 8.962 2.720 387 1HG LYS 46 2HG LYS 46 -6.710 11.550 2.381 388 2HG LYS 46 1HG LYS 46 -8.398 11.568 1.867 389 1HD LYS 46 2HD LYS 46 -9.183 11.111 3.967 390 2HD LYS 46 1HD LYS 46 -7.734 10.219 4.432 391 1HE LYS 46 2HE LYS 46 -6.641 12.625 4.170 392 2HE LYS 46 1HE LYS 46 -8.292 13.134 4.523 393 1HZ LYS 46 1HZ LYS 46 -7.572 12.941 6.633 394 2HZ LYS 46 2HZ LYS 46 -6.338 11.850 6.246 395 3HZ LYS 46 3HZ LYS 46 -7.930 11.302 6.413 396 H GLY 47 H GLY 47 -4.021 7.747 1.908 397 1HA GLY 47 2HA GLY 47 -4.279 7.497 4.833 398 2HA GLY 47 1HA GLY 47 -3.449 6.352 3.789 399 H THR 48 H THR 48 -3.253 9.885 4.213 400 HA THR 48 HA THR 48 -1.457 11.275 4.403 401 HB THR 48 HB THR 48 0.334 10.234 6.067 402 HG1 THR 48 HG1 THR 48 -1.956 8.668 6.625 403 1HG2 THR 48 1HG2 THR 48 -1.941 10.511 7.724 404 2HG2 THR 48 2HG2 THR 48 -2.063 11.695 6.421 405 3HG2 THR 48 3HG2 THR 48 -0.629 11.657 7.447 406 H GLN 49 H GLN 49 -1.039 10.703 2.084 407 HA GLN 49 HA GLN 49 0.428 10.317 0.390 408 1HB GLN 49 2HB GLN 49 2.545 10.070 2.527 409 2HB GLN 49 1HB GLN 49 2.776 10.507 0.840 410 1HG GLN 49 2HG GLN 49 0.995 12.225 2.467 411 2HG GLN 49 1HG GLN 49 2.728 12.304 2.783 412 1HE2 GLN 49 1HE2 GLN 49 0.292 13.643 1.060 413 2HE2 GLN 49 2HE2 GLN 49 1.192 14.321 -0.250 414 H SER 50 H SER 50 -0.944 8.094 1.661 415 HA SER 50 HA SER 50 0.258 5.954 0.314 416 1HB SER 50 2HB SER 50 0.683 4.645 2.597 417 2HB SER 50 1HB SER 50 1.948 5.607 1.833 418 HG SER 50 HG SER 50 0.239 6.400 3.955 419 H ASN 51 H ASN 51 -0.660 3.749 1.443 420 HA ASN 51 HA ASN 51 -3.120 3.906 2.783 421 1HB ASN 51 2HB ASN 51 -3.952 4.941 0.751 422 2HB ASN 51 1HB ASN 51 -3.326 3.610 -0.214 423 1HD2 ASN 51 1HD2 ASN 51 -4.710 2.082 -0.725 424 2HD2 ASN 51 2HD2 ASN 51 -6.188 1.727 0.099 425 H HIS 52 H HIS 52 -2.482 1.919 -0.031 426 HA HIS 52 HA HIS 52 -1.869 -0.354 1.721 427 1HB HIS 52 2HB HIS 52 -3.812 -0.422 -0.597 428 2HB HIS 52 1HB HIS 52 -3.312 -1.811 0.362 429 HD1 HIS 52 HD1 HIS 52 -3.528 -0.015 3.092 430 HD2 HIS 52 HD2 HIS 52 -6.474 -0.766 0.259 431 HE1 HIS 52 HE1 HIS 52 -5.713 0.313 4.292 432 HE2 HIS 52 HE2 HIS 52 -7.480 -0.057 2.533 433 H VAL 53 H VAL 53 -1.189 -2.304 0.265 434 HA VAL 53 HA VAL 53 0.268 -1.482 -2.118 435 HB VAL 53 HB VAL 53 1.720 -2.826 0.163 436 1HG1 VAL 53 1HG1 VAL 53 2.443 -2.028 -2.614 437 2HG1 VAL 53 2HG1 VAL 53 2.871 -3.480 -1.709 438 3HG1 VAL 53 3HG1 VAL 53 3.678 -1.952 -1.357 439 1HG2 VAL 53 1HG2 VAL 53 1.797 0.051 -0.739 440 2HG2 VAL 53 2HG2 VAL 53 2.938 -0.680 0.389 441 3HG2 VAL 53 3HG2 VAL 53 1.232 -0.558 0.817 442 H LEU 54 H LEU 54 -0.292 -2.940 -3.590 443 HA LEU 54 HA LEU 54 -0.730 -5.720 -2.731 444 1HB LEU 54 2HB LEU 54 -1.721 -4.304 -5.207 445 2HB LEU 54 1HB LEU 54 -2.068 -5.969 -4.776 446 HG LEU 54 HG LEU 54 -2.992 -3.498 -3.310 447 1HD1 LEU 54 1HD1 LEU 54 -4.476 -3.672 -5.028 448 2HD1 LEU 54 2HD1 LEU 54 -5.224 -4.793 -3.890 449 3HD1 LEU 54 3HD1 LEU 54 -4.232 -5.409 -5.213 450 1HD2 LEU 54 1HD2 LEU 54 -2.823 -4.885 -1.524 451 2HD2 LEU 54 2HD2 LEU 54 -2.877 -6.346 -2.512 452 3HD2 LEU 54 3HD2 LEU 54 -4.364 -5.470 -2.150 453 H PHE 55 H PHE 55 -0.205 -7.387 -4.403 454 HA PHE 55 HA PHE 55 2.283 -6.680 -5.817 455 1HB PHE 55 2HB PHE 55 2.124 -8.392 -3.720 456 2HB PHE 55 1HB PHE 55 1.865 -9.506 -5.057 457 HD1 PHE 55 HD1 PHE 55 3.610 -9.923 -6.686 458 HD2 PHE 55 HD2 PHE 55 4.239 -7.285 -3.407 459 HE1 PHE 55 HE1 PHE 55 6.036 -10.006 -7.089 460 HE2 PHE 55 HE2 PHE 55 6.666 -7.362 -3.804 461 HZ PHE 55 HZ PHE 55 7.567 -8.723 -5.648 462 H LEU 56 H LEU 56 1.912 -6.631 -7.933 463 HA LEU 56 HA LEU 56 -0.272 -7.901 -9.197 464 1HB LEU 56 2HB LEU 56 2.007 -6.248 -9.993 465 2HB LEU 56 1HB LEU 56 1.528 -7.405 -11.220 466 HG LEU 56 HG LEU 56 -0.709 -6.497 -11.290 467 1HD1 LEU 56 1HD1 LEU 56 -1.335 -5.844 -9.186 468 2HD1 LEU 56 2HD1 LEU 56 -0.990 -4.278 -9.920 469 3HD1 LEU 56 3HD1 LEU 56 0.198 -5.036 -8.860 470 1HD2 LEU 56 1HD2 LEU 56 0.773 -5.384 -12.751 471 2HD2 LEU 56 2HD2 LEU 56 1.502 -4.464 -11.434 472 3HD2 LEU 56 3HD2 LEU 56 -0.150 -4.118 -11.943 473 H SER 57 H SER 57 -0.452 -9.789 -10.307 474 HA SER 57 HA SER 57 1.757 -11.687 -9.988 475 1HB SER 57 2HB SER 57 -1.197 -11.924 -10.122 476 2HB SER 57 1HB SER 57 -0.272 -13.238 -10.847 477 HG SER 57 HG SER 57 0.250 -12.266 -8.241 478 H SER 58 H SER 58 -0.831 -11.520 -12.420 479 HA SER 58 HA SER 58 1.234 -11.856 -14.493 480 1HB SER 58 2HB SER 58 -0.158 -13.756 -14.583 481 2HB SER 58 1HB SER 58 -1.620 -12.805 -14.322 482 HG SER 58 HG SER 58 -1.770 -12.644 -16.400 483 H TYR 59 H TYR 59 -2.153 -10.812 -14.708 484 HA TYR 59 HA TYR 59 -3.130 -8.966 -15.607 485 1HB TYR 59 2HB TYR 59 -1.692 -7.812 -13.895 486 2HB TYR 59 1HB TYR 59 -0.482 -7.580 -15.152 487 HD1 TYR 59 HD1 TYR 59 -4.172 -7.281 -15.460 488 HD2 TYR 59 HD2 TYR 59 -0.436 -5.249 -15.399 489 HE1 TYR 59 HE1 TYR 59 -5.298 -5.206 -16.148 490 HE2 TYR 59 HE2 TYR 59 -1.551 -3.167 -16.086 491 HH TYR 59 HH TYR 59 -4.787 -3.097 -17.204 492 H ASN 60 H ASN 60 -3.591 -8.860 -17.698 493 HA ASN 60 HA ASN 60 -1.383 -8.568 -19.619 494 1HB ASN 60 2HB ASN 60 -3.553 -10.608 -19.564 495 2HB ASN 60 1HB ASN 60 -3.067 -9.974 -21.133 496 1HD2 ASN 60 1HD2 ASN 60 -1.088 -10.494 -21.965 497 2HD2 ASN 60 2HD2 ASN 60 -0.046 -11.679 -21.259 498 H SER 61 H SER 61 -3.028 -6.517 -18.513 499 HA SER 61 HA SER 61 -4.210 -4.683 -19.155 500 1HB SER 61 2HB SER 61 -2.506 -4.745 -21.011 501 2HB SER 61 1HB SER 61 -3.697 -5.600 -21.992 502 HG SER 61 HG SER 61 -4.837 -3.810 -22.200 503 H VAL 62 H VAL 62 -5.586 -7.222 -18.733 504 HA VAL 62 HA VAL 62 -7.829 -7.063 -20.609 505 HB VAL 62 HB VAL 62 -8.635 -9.118 -19.361 506 1HG1 VAL 62 1HG1 VAL 62 -7.706 -9.494 -21.473 507 2HG1 VAL 62 2HG1 VAL 62 -6.811 -10.579 -20.409 508 3HG1 VAL 62 3HG1 VAL 62 -6.083 -9.062 -20.936 509 1HG2 VAL 62 1HG2 VAL 62 -7.115 -10.314 -17.963 510 2HG2 VAL 62 2HG2 VAL 62 -7.224 -8.667 -17.339 511 3HG2 VAL 62 3HG2 VAL 62 -5.820 -9.160 -18.287 512 H ASP 63 H ASP 63 -9.922 -6.625 -19.974 513 HA ASP 63 HA ASP 63 -10.312 -4.798 -17.898 514 1HB ASP 63 2HB ASP 63 -11.773 -5.470 -20.023 515 2HB ASP 63 1HB ASP 63 -12.627 -6.432 -18.821 516 H GLU 64 H GLU 64 -10.428 -8.270 -17.925 517 HA GLU 64 HA GLU 64 -11.950 -8.693 -15.596 518 1HB GLU 64 2HB GLU 64 -11.438 -10.473 -17.212 519 2HB GLU 64 1HB GLU 64 -9.740 -10.396 -16.762 520 1HG GLU 64 2HG GLU 64 -10.060 -11.778 -15.066 521 2HG GLU 64 1HG GLU 64 -11.365 -10.779 -14.428 522 H ILE 65 H ILE 65 -8.585 -7.901 -16.106 523 HA ILE 65 HA ILE 65 -8.078 -8.123 -13.218 524 HB ILE 65 HB ILE 65 -6.046 -7.741 -15.415 525 1HG1 ILE 65 2HG1 ILE 65 -6.489 -10.321 -13.947 526 2HG1 ILE 65 1HG1 ILE 65 -7.455 -9.937 -15.368 527 1HG2 ILE 65 1HG2 ILE 65 -5.689 -8.628 -12.556 528 2HG2 ILE 65 2HG2 ILE 65 -5.387 -6.994 -13.149 529 3HG2 ILE 65 3HG2 ILE 65 -4.416 -8.341 -13.743 530 1HD1 ILE 65 1HD1 ILE 65 -5.798 -11.016 -16.428 531 2HD1 ILE 65 2HD1 ILE 65 -4.625 -10.701 -15.148 532 3HD1 ILE 65 3HD1 ILE 65 -4.999 -9.447 -16.332 533 H ARG 66 H ARG 66 -8.221 -5.887 -15.891 534 HA ARG 66 HA ARG 66 -6.852 -3.714 -14.783 535 1HB ARG 66 2HB ARG 66 -7.905 -4.090 -17.163 536 2HB ARG 66 1HB ARG 66 -9.295 -3.277 -16.456 537 1HG ARG 66 2HG ARG 66 -6.719 -1.938 -16.016 538 2HG ARG 66 1HG ARG 66 -7.248 -2.022 -17.698 539 1HD ARG 66 2HD ARG 66 -9.476 -1.306 -16.066 540 2HD ARG 66 1HD ARG 66 -8.118 -0.255 -15.663 541 HE ARG 66 HE ARG 66 -8.157 -0.234 -18.374 542 1HH1 ARG 66 2HH1 ARG 66 -10.561 0.400 -15.925 543 2HH1 ARG 66 1HH1 ARG 66 -11.432 1.537 -16.897 544 1HH2 ARG 66 1HH2 ARG 66 -9.302 1.262 -19.654 545 2HH2 ARG 66 2HH2 ARG 66 -10.718 2.026 -19.015 546 H LYS 67 H LYS 67 -10.251 -4.677 -14.519 547 HA LYS 67 HA LYS 67 -10.988 -2.431 -12.911 548 1HB LYS 67 2HB LYS 67 -12.419 -4.177 -14.365 549 2HB LYS 67 1HB LYS 67 -12.591 -4.927 -12.784 550 1HG LYS 67 2HG LYS 67 -13.846 -3.217 -11.953 551 2HG LYS 67 1HG LYS 67 -13.097 -2.011 -13.001 552 1HD LYS 67 2HD LYS 67 -15.154 -2.166 -13.991 553 2HD LYS 67 1HD LYS 67 -14.296 -3.421 -14.888 554 1HE LYS 67 2HE LYS 67 -16.036 -3.868 -12.464 555 2HE LYS 67 1HE LYS 67 -16.509 -4.173 -14.135 556 1HZ LYS 67 1HZ LYS 67 -14.779 -5.716 -12.387 557 2HZ LYS 67 2HZ LYS 67 -14.270 -5.594 -13.994 558 3HZ LYS 67 3HZ LYS 67 -15.794 -6.232 -13.638 559 H GLU 68 H GLU 68 -9.750 -5.630 -12.304 560 HA GLU 68 HA GLU 68 -10.447 -5.944 -9.619 561 1HB GLU 68 2HB GLU 68 -9.471 -7.737 -10.994 562 2HB GLU 68 1HB GLU 68 -7.936 -6.879 -11.022 563 1HG GLU 68 2HG GLU 68 -7.979 -7.051 -8.484 564 2HG GLU 68 1HG GLU 68 -9.282 -8.219 -8.702 565 H LEU 69 H LEU 69 -7.611 -4.391 -11.079 566 HA LEU 69 HA LEU 69 -6.383 -3.720 -8.608 567 1HB LEU 69 2HB LEU 69 -5.094 -3.852 -10.665 568 2HB LEU 69 1HB LEU 69 -6.035 -2.553 -11.371 569 HG LEU 69 HG LEU 69 -5.142 -1.038 -9.574 570 1HD1 LEU 69 1HD1 LEU 69 -4.321 -2.210 -7.825 571 2HD1 LEU 69 2HD1 LEU 69 -2.828 -2.099 -8.757 572 3HD1 LEU 69 3HD1 LEU 69 -3.805 -3.565 -8.830 573 1HD2 LEU 69 1HD2 LEU 69 -4.092 -0.646 -11.566 574 2HD2 LEU 69 2HD2 LEU 69 -3.509 -2.303 -11.712 575 3HD2 LEU 69 3HD2 LEU 69 -2.718 -1.186 -10.601 576 H GLU 70 H GLU 70 -8.107 -1.681 -10.987 577 HA GLU 70 HA GLU 70 -8.147 0.684 -9.579 578 1HB GLU 70 2HB GLU 70 -9.258 -0.165 -11.912 579 2HB GLU 70 1HB GLU 70 -10.694 0.016 -10.915 580 1HG GLU 70 2HG GLU 70 -10.293 2.309 -10.572 581 2HG GLU 70 1HG GLU 70 -8.645 2.190 -11.190 582 H GLU 71 H GLU 71 -10.179 -2.150 -9.201 583 HA GLU 71 HA GLU 71 -12.056 -1.060 -7.407 584 1HB GLU 71 2HB GLU 71 -11.238 -3.754 -8.290 585 2HB GLU 71 1HB GLU 71 -11.950 -3.685 -6.683 586 1HG GLU 71 2HG GLU 71 -13.862 -2.409 -7.732 587 2HG GLU 71 1HG GLU 71 -13.181 -2.863 -9.294 588 H ALA 72 H ALA 72 -9.133 -3.019 -6.814 589 HA ALA 72 HA ALA 72 -9.218 -2.859 -4.009 590 1HB ALA 72 1HB ALA 72 -7.751 -4.478 -4.596 591 2HB ALA 72 2HB ALA 72 -6.588 -3.161 -4.448 592 3HB ALA 72 3HB ALA 72 -7.207 -3.616 -6.036 593 H GLY 73 H GLY 73 -8.272 -0.576 -6.415 594 1HA GLY 73 2HA GLY 73 -6.488 1.012 -4.927 595 2HA GLY 73 1HA GLY 73 -7.450 1.559 -6.293 596 H ALA 74 H ALA 74 -10.022 1.269 -5.339 597 HA ALA 74 HA ALA 74 -10.230 2.519 -2.746 598 1HB ALA 74 1HB ALA 74 -9.760 4.525 -3.804 599 2HB ALA 74 2HB ALA 74 -11.524 4.488 -3.785 600 3HB ALA 74 3HB ALA 74 -10.648 4.080 -5.261 601 H LYS 75 H LYS 75 -11.337 0.245 -3.040 602 HA LYS 75 HA LYS 75 -14.085 0.584 -3.987 603 1HB LYS 75 2HB LYS 75 -12.297 -1.740 -3.638 604 2HB LYS 75 1HB LYS 75 -13.993 -2.012 -3.267 605 1HG LYS 75 2HG LYS 75 -13.177 -0.723 -5.838 606 2HG LYS 75 1HG LYS 75 -13.163 -2.477 -5.649 607 1HD LYS 75 2HD LYS 75 -15.578 -0.817 -4.983 608 2HD LYS 75 1HD LYS 75 -15.278 -1.422 -6.613 609 1HE LYS 75 2HE LYS 75 -14.916 -3.677 -5.164 610 2HE LYS 75 1HE LYS 75 -16.128 -2.853 -4.185 611 1HZ LYS 75 1HZ LYS 75 -16.335 -3.656 -7.029 612 2HZ LYS 75 2HZ LYS 75 -17.423 -2.584 -6.302 613 3HZ LYS 75 3HZ LYS 75 -17.291 -4.170 -5.730 614 H ILE 76 H ILE 76 -13.251 -1.693 -1.507 615 HA ILE 76 HA ILE 76 -15.116 -0.343 0.304 616 HB ILE 76 HB ILE 76 -14.000 -3.124 0.624 617 1HG1 ILE 76 2HG1 ILE 76 -16.642 -2.368 -0.638 618 2HG1 ILE 76 1HG1 ILE 76 -15.210 -2.815 -1.561 619 1HG2 ILE 76 1HG2 ILE 76 -14.927 -2.636 2.649 620 2HG2 ILE 76 2HG2 ILE 76 -16.361 -3.228 1.811 621 3HG2 ILE 76 3HG2 ILE 76 -16.086 -1.494 1.969 622 1HD1 ILE 76 1HD1 ILE 76 -15.500 -4.996 -1.173 623 2HD1 ILE 76 2HD1 ILE 76 -17.154 -4.530 -0.774 624 3HD1 ILE 76 3HD1 ILE 76 -15.962 -4.739 0.510 625 H ASN 77 H ASN 77 -12.285 0.453 -0.117 626 HA ASN 77 HA ASN 77 -10.378 0.942 1.043 627 1HB ASN 77 2HB ASN 77 -10.778 2.026 3.180 628 2HB ASN 77 1HB ASN 77 -12.051 2.463 2.045 629 1HD2 ASN 77 1HD2 ASN 77 -13.990 2.477 2.893 630 2HD2 ASN 77 2HD2 ASN 77 -14.551 1.480 4.187 631 H HIS 78 H HIS 78 -11.068 -1.894 1.002 632 HA HIS 78 HA HIS 78 -10.392 -3.863 1.915 633 1HB HIS 78 2HB HIS 78 -8.387 -1.939 3.062 634 2HB HIS 78 1HB HIS 78 -8.334 -3.650 3.469 635 HD1 HIS 78 HD1 HIS 78 -8.844 -1.902 0.122 636 HD2 HIS 78 HD2 HIS 78 -6.377 -4.707 1.940 637 HE1 HIS 78 HE1 HIS 78 -7.292 -2.704 -1.686 638 HE2 HIS 78 HE2 HIS 78 -5.866 -4.464 -0.584 639 H THR 79 H THR 79 -11.943 -4.717 3.162 640 HA THR 79 HA THR 79 -12.190 -3.740 5.930 641 HB THR 79 HB THR 79 -14.271 -3.413 4.860 642 HG1 THR 79 HG1 THR 79 -15.475 -4.507 6.219 643 1HG2 THR 79 1HG2 THR 79 -14.319 -4.546 2.870 644 2HG2 THR 79 2HG2 THR 79 -15.432 -5.506 3.843 645 3HG2 THR 79 3HG2 THR 79 -13.777 -6.060 3.592 646 H THR 80 H THR 80 -11.878 -6.582 3.888 647 HA THR 80 HA THR 80 -11.158 -8.132 6.279 648 HB THR 80 HB THR 80 -12.236 -10.125 5.234 649 HG1 THR 80 HG1 THR 80 -12.840 -9.926 3.251 650 1HG2 THR 80 1HG2 THR 80 -14.443 -8.167 5.393 651 2HG2 THR 80 2HG2 THR 80 -13.427 -8.369 6.819 652 3HG2 THR 80 3HG2 THR 80 -14.274 -9.757 6.136 653 H LEU 81 H LEU 81 -9.914 -10.136 5.709 654 HA LEU 81 HA LEU 81 -7.991 -9.484 3.593 655 1HB LEU 81 2HB LEU 81 -7.837 -11.083 6.119 656 2HB LEU 81 1HB LEU 81 -6.683 -11.372 4.831 657 HG LEU 81 HG LEU 81 -7.103 -8.775 6.310 658 1HD1 LEU 81 1HD1 LEU 81 -5.792 -9.899 7.765 659 2HD1 LEU 81 2HD1 LEU 81 -4.521 -9.400 6.648 660 3HD1 LEU 81 3HD1 LEU 81 -5.203 -11.022 6.539 661 1HD2 LEU 81 1HD2 LEU 81 -4.837 -8.413 4.910 662 2HD2 LEU 81 2HD2 LEU 81 -6.427 -7.896 4.343 663 3HD2 LEU 81 3HD2 LEU 81 -5.739 -9.418 3.774 664 H LYS 82 H LYS 82 -10.704 -11.226 3.778 665 HA LYS 82 HA LYS 82 -10.039 -13.803 2.925 666 1HB LYS 82 2HB LYS 82 -12.320 -12.841 3.660 667 2HB LYS 82 1HB LYS 82 -12.500 -12.359 1.979 668 1HG LYS 82 2HG LYS 82 -13.592 -14.407 2.107 669 2HG LYS 82 1HG LYS 82 -12.018 -14.805 1.412 670 1HD LYS 82 2HD LYS 82 -12.085 -16.414 3.014 671 2HD LYS 82 1HD LYS 82 -11.420 -15.108 3.996 672 1HE LYS 82 2HE LYS 82 -13.189 -16.081 5.246 673 2HE LYS 82 1HE LYS 82 -13.778 -14.532 4.643 674 1HZ LYS 82 1HZ LYS 82 -15.155 -16.774 4.426 675 2HZ LYS 82 2HZ LYS 82 -14.291 -16.864 2.975 676 3HZ LYS 82 3HZ LYS 82 -15.271 -15.523 3.292 677 H ILE 83 H ILE 83 -10.143 -10.777 1.204 678 HA ILE 83 HA ILE 83 -10.355 -11.717 -1.423 679 HB ILE 83 HB ILE 83 -10.515 -9.333 -0.858 680 1HG1 ILE 83 2HG1 ILE 83 -8.212 -9.815 -2.758 681 2HG1 ILE 83 1HG1 ILE 83 -9.897 -10.116 -3.168 682 1HG2 ILE 83 1HG2 ILE 83 -7.524 -9.302 -0.564 683 2HG2 ILE 83 2HG2 ILE 83 -8.615 -9.443 0.814 684 3HG2 ILE 83 3HG2 ILE 83 -8.674 -8.011 -0.213 685 1HD1 ILE 83 1HD1 ILE 83 -9.740 -8.035 -4.007 686 2HD1 ILE 83 2HD1 ILE 83 -8.427 -7.577 -2.922 687 3HD1 ILE 83 3HD1 ILE 83 -10.092 -7.581 -2.340 688 H LEU 84 H LEU 84 -7.483 -11.196 0.603 689 HA LEU 84 HA LEU 84 -5.572 -11.894 -1.326 690 1HB LEU 84 2HB LEU 84 -5.645 -11.692 1.628 691 2HB LEU 84 1HB LEU 84 -4.374 -12.700 0.960 692 HG LEU 84 HG LEU 84 -4.398 -10.258 -0.504 693 1HD1 LEU 84 1HD1 LEU 84 -4.288 -9.856 2.480 694 2HD1 LEU 84 2HD1 LEU 84 -5.577 -9.294 1.416 695 3HD1 LEU 84 3HD1 LEU 84 -3.947 -8.643 1.248 696 1HD2 LEU 84 1HD2 LEU 84 -2.560 -12.007 0.298 697 2HD2 LEU 84 2HD2 LEU 84 -2.340 -10.794 1.559 698 3HD2 LEU 84 3HD2 LEU 84 -2.158 -10.346 -0.137 699 H GLU 85 H GLU 85 -7.288 -13.845 1.080 700 HA GLU 85 HA GLU 85 -6.030 -16.294 0.479 701 1HB GLU 85 2HB GLU 85 -7.788 -15.491 2.376 702 2HB GLU 85 1HB GLU 85 -8.871 -16.377 1.311 703 1HG GLU 85 2HG GLU 85 -7.901 -18.386 1.759 704 2HG GLU 85 1HG GLU 85 -6.321 -17.676 2.092 705 H GLY 86 H GLY 86 -8.455 -14.451 -1.149 706 1HA GLY 86 2HA GLY 86 -9.594 -16.611 -2.644 707 2HA GLY 86 1HA GLY 86 -9.794 -14.896 -2.970 708 H HIS 87 H HIS 87 -6.932 -14.357 -3.169 709 HA HIS 87 HA HIS 87 -5.793 -16.029 -5.164 710 1HB HIS 87 2HB HIS 87 -5.968 -14.510 -7.083 711 2HB HIS 87 1HB HIS 87 -7.558 -15.043 -6.547 712 HD1 HIS 87 HD1 HIS 87 -8.571 -13.165 -4.640 713 HD2 HIS 87 HD2 HIS 87 -5.999 -11.878 -7.639 714 HE1 HIS 87 HE1 HIS 87 -8.956 -10.688 -4.838 715 HE2 HIS 87 HE2 HIS 87 -7.330 -9.918 -6.602 716 H LEU 88 HN LEU 88 -4.305 -15.579 -3.283 717 HA LEU 88 HA LEU 88 -2.321 -13.694 -4.136 718 1HB LEU 88 2HB LEU 88 -4.236 -12.793 -2.285 719 2HB LEU 88 1HB LEU 88 -2.779 -13.089 -1.357 720 HG LEU 88 HG LEU 88 -2.695 -10.818 -1.989 721 1HD1 LEU 88 1HD1 LEU 88 -0.646 -12.327 -2.451 722 2HD1 LEU 88 2HD1 LEU 88 -0.657 -10.677 -3.076 723 3HD1 LEU 88 3HD1 LEU 88 -1.019 -12.029 -4.149 724 1HD2 LEU 88 1HD2 LEU 88 -4.418 -11.304 -3.901 725 2HD2 LEU 88 2HD2 LEU 88 -2.967 -11.389 -4.900 726 3HD2 LEU 88 3HD2 LEU 88 -3.332 -9.917 -4.000 Start of MODEL 4 1 1H LEU 1 1H LEU 1 -14.553 21.089 -4.242 2 2H LEU 1 2H LEU 1 -15.603 19.806 -3.797 3 3H LEU 1 3H LEU 1 -14.879 19.824 -5.352 4 HA LEU 1 HA LEU 1 -12.701 19.733 -4.229 5 1HB LEU 1 2HB LEU 1 -13.865 20.465 -2.045 6 2HB LEU 1 1HB LEU 1 -14.322 18.780 -1.883 7 HG LEU 1 HG LEU 1 -11.740 18.370 -2.197 8 1HD1 LEU 1 1HD1 LEU 1 -10.450 20.184 -1.086 9 2HD1 LEU 1 2HD1 LEU 1 -11.878 21.212 -1.211 10 3HD1 LEU 1 3HD1 LEU 1 -11.084 20.622 -2.671 11 1HD2 LEU 1 1HD2 LEU 1 -11.525 18.208 0.146 12 2HD2 LEU 1 2HD2 LEU 1 -13.229 17.914 -0.200 13 3HD2 LEU 1 3HD2 LEU 1 -12.714 19.482 0.421 14 H PHE 2 H PHE 2 -12.246 18.088 -5.571 15 HA PHE 2 HA PHE 2 -13.616 15.520 -5.107 16 1HB PHE 2 2HB PHE 2 -13.049 14.973 -7.468 17 2HB PHE 2 1HB PHE 2 -14.130 16.355 -7.318 18 HD1 PHE 2 HD1 PHE 2 -13.168 18.669 -7.543 19 HD2 PHE 2 HD2 PHE 2 -10.985 15.160 -8.558 20 HE1 PHE 2 HE1 PHE 2 -11.624 20.026 -8.896 21 HE2 PHE 2 HE2 PHE 2 -9.436 16.509 -9.911 22 HZ PHE 2 HZ PHE 2 -9.754 18.946 -10.081 23 H ILE 3 H ILE 3 -12.331 14.290 -3.895 24 HA ILE 3 HA ILE 3 -9.557 14.529 -3.657 25 HB ILE 3 HB ILE 3 -11.077 13.370 -2.040 26 1HG1 ILE 3 2HG1 ILE 3 -8.583 13.177 -1.996 27 2HG1 ILE 3 1HG1 ILE 3 -9.421 11.806 -1.280 28 1HG2 ILE 3 1HG2 ILE 3 -12.123 11.427 -2.456 29 2HG2 ILE 3 2HG2 ILE 3 -10.795 10.790 -3.425 30 3HG2 ILE 3 3HG2 ILE 3 -11.944 11.921 -4.139 31 1HD1 ILE 3 1HD1 ILE 3 -8.023 10.587 -2.517 32 2HD1 ILE 3 2HD1 ILE 3 -7.648 11.931 -3.593 33 3HD1 ILE 3 3HD1 ILE 3 -9.108 10.976 -3.852 34 H ALA 4 H ALA 4 -8.034 14.129 -5.108 35 HA ALA 4 HA ALA 4 -8.561 12.564 -7.460 36 1HB ALA 4 1HB ALA 4 -5.778 13.199 -7.136 37 2HB ALA 4 2HB ALA 4 -6.773 14.605 -6.759 38 3HB ALA 4 3HB ALA 4 -6.933 13.804 -8.322 39 H THR 5 H THR 5 -8.250 10.453 -7.696 40 HA THR 5 HA THR 5 -6.887 8.964 -5.605 41 HB THR 5 HB THR 5 -7.787 6.977 -6.708 42 HG1 THR 5 HG1 THR 5 -8.866 8.751 -8.635 43 1HG2 THR 5 1HG2 THR 5 -10.167 7.385 -6.537 44 2HG2 THR 5 2HG2 THR 5 -9.886 9.126 -6.552 45 3HG2 THR 5 3HG2 THR 5 -9.304 8.152 -5.203 46 H LEU 6 H LEU 6 -4.734 8.890 -5.770 47 HA LEU 6 HA LEU 6 -3.492 8.677 -8.409 48 1HB LEU 6 2HB LEU 6 -2.281 9.120 -5.678 49 2HB LEU 6 1HB LEU 6 -1.373 9.056 -7.176 50 HG LEU 6 HG LEU 6 -1.648 11.354 -6.568 51 1HD1 LEU 6 1HD1 LEU 6 -3.652 10.795 -8.743 52 2HD1 LEU 6 2HD1 LEU 6 -1.906 10.699 -8.971 53 3HD1 LEU 6 3HD1 LEU 6 -2.656 12.235 -8.536 54 1HD2 LEU 6 1HD2 LEU 6 -4.633 11.057 -6.651 55 2HD2 LEU 6 2HD2 LEU 6 -3.668 12.384 -6.002 56 3HD2 LEU 6 3HD2 LEU 6 -3.723 10.837 -5.156 57 H LYS 7 H LYS 7 -3.073 6.727 -9.192 58 HA LYS 7 HA LYS 7 -2.548 4.535 -7.296 59 1HB LYS 7 2HB LYS 7 -3.144 3.181 -9.520 60 2HB LYS 7 1HB LYS 7 -4.368 3.703 -8.373 61 1HG LYS 7 2HG LYS 7 -5.163 4.220 -10.544 62 2HG LYS 7 1HG LYS 7 -4.700 5.743 -9.783 63 1HD LYS 7 2HD LYS 7 -2.729 5.902 -11.066 64 2HD LYS 7 1HD LYS 7 -2.830 4.215 -11.575 65 1HE LYS 7 2HE LYS 7 -5.158 5.092 -12.549 66 2HE LYS 7 1HE LYS 7 -4.253 6.605 -12.595 67 1HZ LYS 7 1HZ LYS 7 -2.876 4.272 -13.644 68 2HZ LYS 7 2HZ LYS 7 -2.919 5.858 -14.229 69 3HZ LYS 7 3HZ LYS 7 -4.203 4.806 -14.549 70 H GLY 8 H GLY 8 -0.322 4.815 -7.147 71 1HA GLY 8 2HA GLY 8 1.334 4.990 -9.490 72 2HA GLY 8 1HA GLY 8 1.887 4.779 -7.835 73 H ILE 9 H ILE 9 3.255 3.394 -9.632 74 HA ILE 9 HA ILE 9 2.670 0.673 -8.911 75 HB ILE 9 HB ILE 9 1.228 0.938 -10.886 76 1HG1 ILE 9 2HG1 ILE 9 3.543 -0.782 -11.730 77 2HG1 ILE 9 1HG1 ILE 9 2.609 -1.191 -10.294 78 1HG2 ILE 9 1HG2 ILE 9 1.884 1.806 -12.859 79 2HG2 ILE 9 2HG2 ILE 9 3.495 1.096 -12.758 80 3HG2 ILE 9 3HG2 ILE 9 3.128 2.576 -11.872 81 1HD1 ILE 9 1HD1 ILE 9 0.803 -1.830 -11.489 82 2HD1 ILE 9 2HD1 ILE 9 2.036 -2.127 -12.716 83 3HD1 ILE 9 3HD1 ILE 9 1.084 -0.642 -12.762 84 H PHE 10 H PHE 10 4.479 -0.520 -8.787 85 HA PHE 10 HA PHE 10 6.938 0.600 -9.966 86 1HB PHE 10 2HB PHE 10 6.340 -0.406 -7.252 87 2HB PHE 10 1HB PHE 10 7.864 -0.962 -7.937 88 HD1 PHE 10 HD1 PHE 10 9.689 0.263 -7.321 89 HD2 PHE 10 HD2 PHE 10 5.955 2.248 -7.798 90 HE1 PHE 10 HE1 PHE 10 10.747 2.395 -6.698 91 HE2 PHE 10 HE2 PHE 10 7.007 4.384 -7.177 92 HZ PHE 10 HZ PHE 10 9.406 4.458 -6.625 93 H THR 11 H THR 11 6.381 -0.699 -11.857 94 HA THR 11 HA THR 11 6.394 -3.570 -11.617 95 HB THR 11 HB THR 11 6.328 -3.530 -14.101 96 HG1 THR 11 HG1 THR 11 6.741 -1.765 -15.152 97 1HG2 THR 11 1HG2 THR 11 4.311 -2.629 -12.368 98 2HG2 THR 11 2HG2 THR 11 4.135 -3.319 -13.982 99 3HG2 THR 11 3HG2 THR 11 4.279 -1.573 -13.782 100 H LEU 12 H LEU 12 7.951 -4.945 -11.906 101 HA LEU 12 HA LEU 12 10.078 -5.711 -11.824 102 1HB LEU 12 2HB LEU 12 11.367 -5.359 -13.828 103 2HB LEU 12 1HB LEU 12 9.679 -5.586 -14.233 104 HG LEU 12 HG LEU 12 10.692 -2.796 -13.974 105 1HD1 LEU 12 1HD1 LEU 12 11.298 -2.933 -16.428 106 2HD1 LEU 12 2HD1 LEU 12 11.329 -4.684 -16.222 107 3HD1 LEU 12 3HD1 LEU 12 12.434 -3.668 -15.297 108 1HD2 LEU 12 1HD2 LEU 12 8.801 -2.285 -15.057 109 2HD2 LEU 12 2HD2 LEU 12 8.293 -3.933 -14.684 110 3HD2 LEU 12 3HD2 LEU 12 9.030 -3.569 -16.244 111 H LYS 13 H LYS 13 12.495 -4.838 -12.304 112 HA LYS 13 HA LYS 13 12.898 -2.881 -10.203 113 1HB LYS 13 2HB LYS 13 14.871 -4.583 -11.725 114 2HB LYS 13 1HB LYS 13 15.281 -3.532 -10.377 115 1HG LYS 13 2HG LYS 13 13.745 -4.852 -8.947 116 2HG LYS 13 1HG LYS 13 13.502 -5.958 -10.302 117 1HD LYS 13 2HD LYS 13 16.292 -5.357 -9.478 118 2HD LYS 13 1HD LYS 13 15.327 -6.400 -8.432 119 1HE LYS 13 2HE LYS 13 16.723 -7.545 -10.220 120 2HE LYS 13 1HE LYS 13 15.023 -8.000 -10.121 121 1HZ LYS 13 1HZ LYS 13 15.794 -7.631 -12.411 122 2HZ LYS 13 2HZ LYS 13 16.126 -6.016 -12.035 123 3HZ LYS 13 3HZ LYS 13 14.533 -6.588 -11.981 124 H ASP 14 H ASP 14 12.601 -2.758 -13.529 125 HA ASP 14 HA ASP 14 14.555 -0.646 -13.916 126 1HB ASP 14 2HB ASP 14 13.936 -2.461 -15.644 127 2HB ASP 14 1HB ASP 14 12.498 -1.488 -15.942 128 H LEU 15 H LEU 15 11.241 -0.970 -13.082 129 HA LEU 15 HA LEU 15 10.685 1.821 -13.787 130 1HB LEU 15 2HB LEU 15 9.177 -0.358 -14.219 131 2HB LEU 15 1HB LEU 15 8.554 0.117 -12.650 132 HG LEU 15 HG LEU 15 7.234 1.016 -14.542 133 1HD1 LEU 15 1HD1 LEU 15 8.603 3.232 -13.039 134 2HD1 LEU 15 2HD1 LEU 15 7.430 2.143 -12.297 135 3HD1 LEU 15 3HD1 LEU 15 6.944 3.183 -13.637 136 1HD2 LEU 15 1HD2 LEU 15 8.077 2.484 -16.113 137 2HD2 LEU 15 2HD2 LEU 15 9.411 1.345 -15.925 138 3HD2 LEU 15 3HD2 LEU 15 9.471 2.913 -15.119 139 HA PRO 16 HA PRO 16 10.843 1.649 -9.023 140 1HB PRO 16 2HB PRO 16 13.301 2.464 -8.394 141 2HB PRO 16 1HB PRO 16 12.963 0.768 -8.762 142 1HG PRO 16 2HG PRO 16 14.147 2.886 -10.518 143 2HG PRO 16 1HG PRO 16 14.659 1.202 -10.301 144 1HD PRO 16 2HD PRO 16 13.120 2.060 -12.393 145 2HD PRO 16 1HD PRO 16 13.080 0.407 -11.750 146 H GLU 17 H GLU 17 9.696 3.533 -10.559 147 HA GLU 17 HA GLU 17 9.102 5.722 -10.687 148 1HB GLU 17 2HB GLU 17 8.766 5.552 -8.319 149 2HB GLU 17 1HB GLU 17 10.488 5.719 -8.003 150 1HG GLU 17 2HG GLU 17 10.377 8.024 -8.908 151 2HG GLU 17 1HG GLU 17 8.631 7.836 -9.065 152 H GLU 18 H GLU 18 12.087 6.403 -8.921 153 HA GLU 18 HA GLU 18 13.293 7.436 -11.372 154 1HB GLU 18 2HB GLU 18 12.083 9.124 -9.600 155 2HB GLU 18 1HB GLU 18 13.747 9.140 -9.030 156 1HG GLU 18 2HG GLU 18 13.596 9.404 -11.905 157 2HG GLU 18 1HG GLU 18 12.676 10.659 -11.078 158 H PHE 19 H PHE 19 13.669 6.270 -8.129 159 HA PHE 19 HA PHE 19 16.179 5.107 -8.695 160 1HB PHE 19 2HB PHE 19 17.173 6.614 -6.642 161 2HB PHE 19 1HB PHE 19 17.492 6.900 -8.346 162 HD1 PHE 19 HD1 PHE 19 17.721 9.198 -8.505 163 HD2 PHE 19 HD2 PHE 19 14.383 7.587 -6.409 164 HE1 PHE 19 HE1 PHE 19 16.757 11.453 -8.309 165 HE2 PHE 19 HE2 PHE 19 13.417 9.838 -6.209 166 HZ PHE 19 HZ PHE 19 14.603 11.775 -7.160 167 H ARG 20 H ARG 20 15.588 6.489 -5.521 168 HA ARG 20 HA ARG 20 15.885 4.240 -4.042 169 1HB ARG 20 2HB ARG 20 13.984 6.524 -3.502 170 2HB ARG 20 1HB ARG 20 14.476 5.333 -2.306 171 1HG ARG 20 2HG ARG 20 16.481 7.012 -3.771 172 2HG ARG 20 1HG ARG 20 15.674 7.581 -2.308 173 1HD ARG 20 2HD ARG 20 16.634 4.926 -1.869 174 2HD ARG 20 1HD ARG 20 17.945 5.908 -2.525 175 HE ARG 20 HE ARG 20 16.883 7.472 -0.577 176 1HH1 ARG 20 2HH1 ARG 20 18.086 4.196 -0.652 177 2HH1 ARG 20 1HH1 ARG 20 18.615 4.220 0.996 178 1HH2 ARG 20 1HH2 ARG 20 17.579 7.504 1.591 179 2HH2 ARG 20 2HH2 ARG 20 18.326 6.097 2.270 180 HA PRO 21 HA PRO 21 12.182 2.004 -5.406 181 1HB PRO 21 2HB PRO 21 13.120 -0.464 -5.013 182 2HB PRO 21 1HB PRO 21 13.682 0.515 -6.375 183 1HG PRO 21 2HG PRO 21 15.009 -0.007 -3.742 184 2HG PRO 21 1HG PRO 21 15.719 0.018 -5.367 185 1HD PRO 21 2HD PRO 21 15.835 2.118 -3.589 186 2HD PRO 21 1HD PRO 21 15.965 2.292 -5.349 187 H PHE 22 H PHE 22 10.483 1.800 -4.091 188 HA PHE 22 HA PHE 22 10.906 1.298 -1.251 189 1HB PHE 22 2HB PHE 22 9.264 3.041 -2.484 190 2HB PHE 22 1HB PHE 22 8.162 1.680 -2.307 191 HD1 PHE 22 HD1 PHE 22 6.695 2.207 -0.610 192 HD2 PHE 22 HD2 PHE 22 10.848 2.957 -0.066 193 HE1 PHE 22 HE1 PHE 22 6.268 2.856 1.724 194 HE2 PHE 22 HE2 PHE 22 10.430 3.605 2.270 195 HZ PHE 22 HZ PHE 22 8.136 3.555 3.168 196 H VAL 23 H VAL 23 10.123 -0.463 -4.033 197 HA VAL 23 HA VAL 23 8.653 -2.501 -2.525 198 HB VAL 23 HB VAL 23 8.214 -3.541 -4.724 199 1HG1 VAL 23 1HG1 VAL 23 7.444 -0.680 -4.255 200 2HG1 VAL 23 2HG1 VAL 23 6.494 -2.142 -3.986 201 3HG1 VAL 23 3HG1 VAL 23 6.818 -1.590 -5.629 202 1HG2 VAL 23 1HG2 VAL 23 9.572 -1.102 -5.866 203 2HG2 VAL 23 2HG2 VAL 23 8.783 -2.389 -6.776 204 3HG2 VAL 23 3HG2 VAL 23 10.250 -2.730 -5.858 205 H ASP 24 H ASP 24 11.792 -1.816 -3.621 206 HA ASP 24 HA ASP 24 12.849 -4.227 -4.401 207 1HB ASP 24 2HB ASP 24 13.876 -1.755 -3.738 208 2HB ASP 24 1HB ASP 24 14.599 -2.812 -2.530 209 H TYR 25 H TYR 25 12.056 -3.169 -1.142 210 HA TYR 25 HA TYR 25 13.365 -5.180 0.292 211 1HB TYR 25 2HB TYR 25 12.037 -4.558 2.146 212 2HB TYR 25 1HB TYR 25 12.207 -3.086 1.197 213 HD1 TYR 25 HD1 TYR 25 10.261 -2.659 -0.533 214 HD2 TYR 25 HD2 TYR 25 9.932 -5.168 2.884 215 HE1 TYR 25 HE1 TYR 25 7.815 -2.417 -0.600 216 HE2 TYR 25 HE2 TYR 25 7.485 -4.936 2.826 217 HH TYR 25 HH TYR 25 5.791 -3.957 0.284 218 H LYS 26 H LYS 26 10.148 -5.125 -1.177 219 HA LYS 26 HA LYS 26 9.272 -7.611 -0.200 220 1HB LYS 26 2HB LYS 26 8.295 -5.608 -1.951 221 2HB LYS 26 1HB LYS 26 8.218 -7.130 -2.827 222 1HG LYS 26 2HG LYS 26 7.210 -7.820 -0.380 223 2HG LYS 26 1HG LYS 26 6.620 -6.170 -0.587 224 1HD LYS 26 2HD LYS 26 4.955 -7.151 -1.738 225 2HD LYS 26 1HD LYS 26 6.137 -7.214 -3.048 226 1HE LYS 26 2HE LYS 26 6.324 -9.441 -1.157 227 2HE LYS 26 1HE LYS 26 4.790 -9.363 -2.022 228 1HZ LYS 26 1HZ LYS 26 6.087 -9.238 -4.109 229 2HZ LYS 26 2HZ LYS 26 6.308 -10.691 -3.271 230 3HZ LYS 26 3HZ LYS 26 7.504 -9.495 -3.218 231 H ALA 27 H ALA 27 11.477 -6.751 -2.726 232 HA ALA 27 HA ALA 27 11.354 -9.241 -4.130 233 1HB ALA 27 1HB ALA 27 12.688 -8.247 -5.629 234 2HB ALA 27 2HB ALA 27 13.829 -7.702 -4.399 235 3HB ALA 27 3HB ALA 27 12.363 -6.775 -4.715 236 H GLY 28 H GLY 28 12.986 -8.114 -1.290 237 1HA GLY 28 2HA GLY 28 14.555 -10.622 -1.267 238 2HA GLY 28 1HA GLY 28 15.188 -9.108 -0.643 239 H LEU 29 H LEU 29 11.860 -9.662 -0.015 240 HA LEU 29 HA LEU 29 12.522 -10.182 2.791 241 1HB LEU 29 2HB LEU 29 10.585 -8.540 1.466 242 2HB LEU 29 1HB LEU 29 9.751 -9.690 2.492 243 HG LEU 29 HG LEU 29 11.173 -8.938 4.402 244 1HD1 LEU 29 1HD1 LEU 29 12.401 -6.844 4.189 245 2HD1 LEU 29 2HD1 LEU 29 12.029 -6.792 2.466 246 3HD1 LEU 29 3HD1 LEU 29 13.054 -8.075 3.108 247 1HD2 LEU 29 1HD2 LEU 29 10.099 -6.522 4.346 248 2HD2 LEU 29 2HD2 LEU 29 9.113 -7.971 4.549 249 3HD2 LEU 29 3HD2 LEU 29 9.236 -7.201 2.967 250 H GLU 30 H GLU 30 12.676 -12.342 0.942 251 HA GLU 30 HA GLU 30 11.229 -14.300 2.338 252 1HB GLU 30 2HB GLU 30 9.375 -13.209 0.978 253 2HB GLU 30 1HB GLU 30 10.157 -13.877 -0.448 254 1HG GLU 30 2HG GLU 30 9.896 -16.133 0.500 255 2HG GLU 30 1HG GLU 30 9.039 -15.431 1.872 256 H LYS 31 H LYS 31 13.857 -13.986 1.598 257 HA LYS 31 HA LYS 31 15.633 -14.993 0.589 258 1HB LYS 31 2HB LYS 31 13.709 -17.317 0.741 259 2HB LYS 31 1HB LYS 31 15.417 -17.480 0.354 260 1HG LYS 31 2HG LYS 31 14.995 -15.972 2.793 261 2HG LYS 31 1HG LYS 31 14.273 -17.581 2.867 262 1HD LYS 31 2HD LYS 31 16.273 -18.566 3.023 263 2HD LYS 31 1HD LYS 31 16.921 -17.628 1.676 264 1HE LYS 31 2HE LYS 31 16.647 -16.628 4.509 265 2HE LYS 31 1HE LYS 31 18.135 -17.251 3.797 266 1HZ LYS 31 1HZ LYS 31 18.163 -14.883 3.680 267 2HZ LYS 31 2HZ LYS 31 16.634 -14.831 2.958 268 3HZ LYS 31 3HZ LYS 31 17.950 -15.470 2.107 269 H LYS 32 H LYS 32 13.816 -13.652 -1.125 270 HA LYS 32 HA LYS 32 13.885 -15.249 -3.585 271 1HB LYS 32 2HB LYS 32 11.854 -13.797 -2.621 272 2HB LYS 32 1HB LYS 32 12.663 -12.539 -3.544 273 1HG LYS 32 2HG LYS 32 12.606 -14.184 -5.498 274 2HG LYS 32 1HG LYS 32 11.440 -15.089 -4.530 275 1HD LYS 32 2HD LYS 32 10.895 -12.212 -4.725 276 2HD LYS 32 1HD LYS 32 10.802 -13.082 -6.257 277 1HE LYS 32 2HE LYS 32 9.155 -14.569 -5.409 278 2HE LYS 32 1HE LYS 32 9.402 -14.002 -3.758 279 1HZ LYS 32 1HZ LYS 32 8.622 -11.977 -5.687 280 2HZ LYS 32 2HZ LYS 32 8.112 -12.205 -4.091 281 3HZ LYS 32 3HZ LYS 32 7.443 -13.138 -5.333 282 H LYS 33 H LYS 33 14.829 -14.443 -5.498 283 HA LYS 33 HA LYS 33 17.297 -13.174 -5.213 284 1HB LYS 33 2HB LYS 33 15.545 -13.901 -7.502 285 2HB LYS 33 1HB LYS 33 16.807 -12.717 -7.814 286 1HG LYS 33 2HG LYS 33 18.187 -14.635 -6.468 287 2HG LYS 33 1HG LYS 33 16.998 -15.598 -7.347 288 1HD LYS 33 2HD LYS 33 18.456 -15.476 -9.049 289 2HD LYS 33 1HD LYS 33 17.820 -13.843 -9.267 290 1HE LYS 33 2HE LYS 33 19.935 -14.054 -7.252 291 2HE LYS 33 1HE LYS 33 20.450 -14.473 -8.885 292 1HZ LYS 33 1HZ LYS 33 19.081 -12.243 -9.355 293 2HZ LYS 33 2HZ LYS 33 20.741 -12.262 -9.036 294 3HZ LYS 33 3HZ LYS 33 19.647 -11.905 -7.797 295 H LEU 34 H LEU 34 14.695 -11.783 -7.180 296 HA LEU 34 HA LEU 34 14.516 -9.351 -5.750 297 1HB LEU 34 2HB LEU 34 16.771 -9.520 -7.388 298 2HB LEU 34 1HB LEU 34 15.621 -8.574 -8.315 299 HG LEU 34 HG LEU 34 15.415 -6.979 -6.470 300 1HD1 LEU 34 1HD1 LEU 34 16.905 -7.120 -4.537 301 2HD1 LEU 34 2HD1 LEU 34 17.484 -8.688 -5.098 302 3HD1 LEU 34 3HD1 LEU 34 15.802 -8.494 -4.607 303 1HD2 LEU 34 1HD2 LEU 34 17.792 -7.472 -8.010 304 2HD2 LEU 34 2HD2 LEU 34 18.205 -6.721 -6.469 305 3HD2 LEU 34 3HD2 LEU 34 17.053 -5.938 -7.550 306 H SER 35 H SER 35 13.759 -7.613 -7.738 307 HA SER 35 HA SER 35 11.285 -8.857 -8.607 308 1HB SER 35 2HB SER 35 12.236 -6.010 -8.415 309 2HB SER 35 1HB SER 35 10.765 -6.425 -9.294 310 HG SER 35 HG SER 35 11.151 -6.196 -6.639 311 H ASP 36 H ASP 36 13.419 -9.855 -10.045 312 HA ASP 36 HA ASP 36 14.044 -8.523 -12.425 313 1HB ASP 36 2HB ASP 36 15.150 -10.614 -11.561 314 2HB ASP 36 1HB ASP 36 13.734 -11.516 -12.095 315 H ASP 37 H ASP 37 11.264 -10.369 -11.449 316 HA ASP 37 HA ASP 37 9.858 -9.504 -13.860 317 1HB ASP 37 2HB ASP 37 8.781 -11.771 -14.024 318 2HB ASP 37 1HB ASP 37 10.494 -11.747 -14.436 319 H ASP 38 H ASP 38 9.987 -9.045 -10.799 320 HA ASP 38 HA ASP 38 7.363 -9.833 -9.904 321 1HB ASP 38 2HB ASP 38 9.435 -9.584 -8.437 322 2HB ASP 38 1HB ASP 38 9.203 -7.844 -8.576 323 H GLU 39 H GLU 39 5.583 -8.540 -9.612 324 HA GLU 39 HA GLU 39 5.731 -5.833 -10.764 325 1HB GLU 39 2HB GLU 39 4.471 -7.788 -12.029 326 2HB GLU 39 1HB GLU 39 3.190 -7.393 -10.891 327 1HG GLU 39 2HG GLU 39 2.854 -5.301 -11.783 328 2HG GLU 39 1HG GLU 39 4.477 -5.216 -12.466 329 H ILE 40 H ILE 40 5.635 -4.510 -9.061 330 HA ILE 40 HA ILE 40 3.628 -5.060 -6.974 331 HB ILE 40 HB ILE 40 5.927 -3.148 -6.655 332 1HG1 ILE 40 2HG1 ILE 40 6.953 -5.266 -7.225 333 2HG1 ILE 40 1HG1 ILE 40 7.139 -4.989 -5.496 334 1HG2 ILE 40 1HG2 ILE 40 4.354 -2.818 -4.969 335 2HG2 ILE 40 2HG2 ILE 40 5.543 -3.889 -4.228 336 3HG2 ILE 40 3HG2 ILE 40 4.015 -4.542 -4.818 337 1HD1 ILE 40 1HD1 ILE 40 6.314 -7.014 -5.174 338 2HD1 ILE 40 2HD1 ILE 40 5.889 -7.172 -6.877 339 3HD1 ILE 40 3HD1 ILE 40 4.761 -6.413 -5.753 340 H ALA 41 H ALA 41 2.312 -3.366 -6.227 341 HA ALA 41 HA ALA 41 2.394 -0.830 -7.666 342 1HB ALA 41 1HB ALA 41 -0.147 -2.441 -7.574 343 2HB ALA 41 2HB ALA 41 0.942 -2.413 -8.962 344 3HB ALA 41 3HB ALA 41 0.146 -0.929 -8.434 345 H ILE 42 H ILE 42 1.301 0.868 -6.631 346 HA ILE 42 HA ILE 42 0.190 0.286 -3.976 347 HB ILE 42 HB ILE 42 1.326 2.436 -3.190 348 1HG1 ILE 42 2HG1 ILE 42 2.041 3.041 -5.563 349 2HG1 ILE 42 1HG1 ILE 42 3.264 3.209 -4.310 350 1HG2 ILE 42 1HG2 ILE 42 3.120 0.084 -3.755 351 2HG2 ILE 42 2HG2 ILE 42 1.911 0.134 -2.472 352 3HG2 ILE 42 3HG2 ILE 42 3.273 1.254 -2.444 353 1HD1 ILE 42 1HD1 ILE 42 3.444 1.793 -6.717 354 2HD1 ILE 42 2HD1 ILE 42 3.399 0.583 -5.434 355 3HD1 ILE 42 3HD1 ILE 42 4.621 1.855 -5.405 356 H ILE 43 H ILE 43 -1.828 1.012 -3.975 357 HA ILE 43 HA ILE 43 -2.526 3.317 -5.645 358 HB ILE 43 HB ILE 43 -4.431 1.499 -4.176 359 1HG1 ILE 43 2HG1 ILE 43 -3.046 0.189 -5.739 360 2HG1 ILE 43 1HG1 ILE 43 -4.720 0.287 -6.279 361 1HG2 ILE 43 1HG2 ILE 43 -5.757 2.402 -6.338 362 2HG2 ILE 43 2HG2 ILE 43 -4.688 3.771 -6.033 363 3HG2 ILE 43 3HG2 ILE 43 -5.779 3.206 -4.768 364 1HD1 ILE 43 1HD1 ILE 43 -4.177 1.386 -8.149 365 2HD1 ILE 43 2HD1 ILE 43 -2.566 0.736 -7.846 366 3HD1 ILE 43 3HD1 ILE 43 -2.964 2.377 -7.340 367 H SER 44 H SER 44 -2.498 5.236 -4.696 368 HA SER 44 HA SER 44 -2.989 5.428 -1.814 369 1HB SER 44 2HB SER 44 -1.811 7.456 -1.827 370 2HB SER 44 1HB SER 44 -0.941 6.478 -3.008 371 HG SER 44 HG SER 44 -1.335 8.519 -3.866 372 H ILE 45 H ILE 45 -4.772 6.322 -0.994 373 HA ILE 45 HA ILE 45 -6.351 8.216 -2.490 374 HB ILE 45 HB ILE 45 -8.446 6.926 -2.381 375 1HG1 ILE 45 2HG1 ILE 45 -7.710 5.393 -0.546 376 2HG1 ILE 45 1HG1 ILE 45 -8.465 4.565 -1.902 377 1HG2 ILE 45 1HG2 ILE 45 -8.080 5.623 -4.327 378 2HG2 ILE 45 2HG2 ILE 45 -6.376 5.393 -3.935 379 3HG2 ILE 45 3HG2 ILE 45 -6.965 6.986 -4.411 380 1HD1 ILE 45 1HD1 ILE 45 -5.869 4.433 -2.626 381 2HD1 ILE 45 2HD1 ILE 45 -6.710 3.191 -1.700 382 3HD1 ILE 45 3HD1 ILE 45 -5.727 4.396 -0.870 383 H LYS 46 H LYS 46 -4.983 8.506 -0.131 384 HA LYS 46 HA LYS 46 -5.225 9.370 1.952 385 1HB LYS 46 2HB LYS 46 -7.038 10.698 1.040 386 2HB LYS 46 1HB LYS 46 -8.159 9.357 1.222 387 1HG LYS 46 2HG LYS 46 -6.895 9.990 3.734 388 2HG LYS 46 1HG LYS 46 -7.677 11.410 3.035 389 1HD LYS 46 2HD LYS 46 -9.088 8.765 3.201 390 2HD LYS 46 1HD LYS 46 -9.076 9.889 4.561 391 1HE LYS 46 2HE LYS 46 -10.134 11.590 3.237 392 2HE LYS 46 1HE LYS 46 -9.990 10.608 1.780 393 1HZ LYS 46 1HZ LYS 46 -12.185 10.706 3.267 394 2HZ LYS 46 2HZ LYS 46 -11.414 9.392 4.002 395 3HZ LYS 46 3HZ LYS 46 -11.754 9.353 2.346 396 H GLY 47 H GLY 47 -8.214 7.444 1.800 397 1HA GLY 47 2HA GLY 47 -8.942 5.678 3.077 398 2HA GLY 47 1HA GLY 47 -7.253 5.190 3.162 399 H THR 48 H THR 48 -5.968 5.910 4.869 400 HA THR 48 HA THR 48 -7.463 7.000 7.160 401 HB THR 48 HB THR 48 -4.994 5.355 7.547 402 HG1 THR 48 HG1 THR 48 -6.082 3.914 6.358 403 1HG2 THR 48 1HG2 THR 48 -5.693 6.055 9.601 404 2HG2 THR 48 2HG2 THR 48 -6.574 4.533 9.465 405 3HG2 THR 48 3HG2 THR 48 -7.396 6.061 9.143 406 H GLN 49 H GLN 49 -4.533 6.998 5.278 407 HA GLN 49 HA GLN 49 -3.849 9.599 5.390 408 1HB GLN 49 2HB GLN 49 -2.198 9.871 7.169 409 2HB GLN 49 1HB GLN 49 -3.768 9.484 7.850 410 1HG GLN 49 2HG GLN 49 -1.949 7.217 7.318 411 2HG GLN 49 1HG GLN 49 -1.506 8.312 8.627 412 1HE2 GLN 49 1HE2 GLN 49 -2.556 5.468 8.443 413 2HE2 GLN 49 2HE2 GLN 49 -3.856 5.433 9.579 414 H SER 50 H SER 50 -3.506 7.163 3.842 415 HA SER 50 HA SER 50 -1.034 7.640 2.665 416 1HB SER 50 2HB SER 50 0.445 6.035 3.490 417 2HB SER 50 1HB SER 50 -0.371 6.557 4.961 418 HG SER 50 HG SER 50 -1.493 4.705 5.021 419 H ASN 51 H ASN 51 -0.383 4.972 1.853 420 HA ASN 51 HA ASN 51 -2.843 4.222 0.413 421 1HB ASN 51 2HB ASN 51 -1.467 3.656 -1.521 422 2HB ASN 51 1HB ASN 51 -1.190 5.332 -1.056 423 1HD2 ASN 51 1HD2 ASN 51 0.844 5.826 -1.404 424 2HD2 ASN 51 2HD2 ASN 51 2.213 4.849 -1.011 425 H HIS 52 H HIS 52 -2.136 1.930 -0.774 426 HA HIS 52 HA HIS 52 -1.056 0.188 1.328 427 1HB HIS 52 2HB HIS 52 -2.964 -1.439 0.332 428 2HB HIS 52 1HB HIS 52 -3.201 -0.423 1.749 429 HD1 HIS 52 HD1 HIS 52 -3.547 0.178 -2.006 430 HD2 HIS 52 HD2 HIS 52 -5.594 0.791 1.558 431 HE1 HIS 52 HE1 HIS 52 -5.688 1.333 -2.649 432 HE2 HIS 52 HE2 HIS 52 -6.945 1.622 -0.485 433 H VAL 53 H VAL 53 0.002 -1.652 0.621 434 HA VAL 53 HA VAL 53 0.747 -1.609 -2.210 435 HB VAL 53 HB VAL 53 2.040 -3.234 -0.023 436 1HG1 VAL 53 1HG1 VAL 53 2.588 -4.024 -2.213 437 2HG1 VAL 53 2HG1 VAL 53 3.981 -3.143 -1.586 438 3HG1 VAL 53 3HG1 VAL 53 2.922 -2.386 -2.775 439 1HG2 VAL 53 1HG2 VAL 53 3.067 -0.594 -1.021 440 2HG2 VAL 53 2HG2 VAL 53 3.572 -1.508 0.400 441 3HG2 VAL 53 3HG2 VAL 53 2.000 -0.709 0.379 442 H LEU 54 H LEU 54 0.960 -3.616 -3.390 443 HA LEU 54 HA LEU 54 -0.134 -6.056 -2.454 444 1HB LEU 54 2HB LEU 54 -1.975 -4.117 -3.601 445 2HB LEU 54 1HB LEU 54 -1.974 -5.626 -4.494 446 HG LEU 54 HG LEU 54 -2.479 -5.355 -1.528 447 1HD1 LEU 54 1HD1 LEU 54 -4.566 -6.347 -3.358 448 2HD1 LEU 54 2HD1 LEU 54 -4.195 -4.626 -3.463 449 3HD1 LEU 54 3HD1 LEU 54 -4.697 -5.328 -1.924 450 1HD2 LEU 54 1HD2 LEU 54 -3.170 -7.813 -3.012 451 2HD2 LEU 54 2HD2 LEU 54 -2.575 -7.608 -1.364 452 3HD2 LEU 54 3HD2 LEU 54 -1.453 -7.526 -2.723 453 H PHE 55 H PHE 55 0.116 -7.748 -3.940 454 HA PHE 55 HA PHE 55 2.148 -7.340 -5.888 455 1HB PHE 55 2HB PHE 55 2.026 -9.432 -4.664 456 2HB PHE 55 1HB PHE 55 0.414 -9.747 -5.293 457 HD1 PHE 55 HD1 PHE 55 0.097 -10.423 -7.616 458 HD2 PHE 55 HD2 PHE 55 3.983 -9.827 -5.987 459 HE1 PHE 55 HE1 PHE 55 1.075 -11.641 -9.516 460 HE2 PHE 55 HE2 PHE 55 4.969 -11.044 -7.885 461 HZ PHE 55 HZ PHE 55 3.515 -11.952 -9.654 462 H LEU 56 H LEU 56 2.012 -7.859 -8.163 463 HA LEU 56 HA LEU 56 -0.665 -7.430 -9.314 464 1HB LEU 56 2HB LEU 56 1.745 -5.833 -9.600 465 2HB LEU 56 1HB LEU 56 1.146 -6.382 -11.154 466 HG LEU 56 HG LEU 56 0.307 -4.141 -10.483 467 1HD1 LEU 56 1HD1 LEU 56 -1.742 -6.326 -10.801 468 2HD1 LEU 56 2HD1 LEU 56 -0.938 -5.431 -12.090 469 3HD1 LEU 56 3HD1 LEU 56 -2.063 -4.604 -11.011 470 1HD2 LEU 56 1HD2 LEU 56 0.132 -4.873 -8.021 471 2HD2 LEU 56 2HD2 LEU 56 -1.437 -5.532 -8.483 472 3HD2 LEU 56 3HD2 LEU 56 -1.114 -3.809 -8.671 473 H SER 57 H SER 57 -1.222 -8.713 -10.998 474 HA SER 57 HA SER 57 0.698 -10.791 -11.754 475 1HB SER 57 2HB SER 57 -2.251 -10.642 -11.548 476 2HB SER 57 1HB SER 57 -1.623 -11.611 -12.881 477 HG SER 57 HG SER 57 -1.471 -12.035 -10.142 478 H SER 58 H SER 58 0.780 -11.498 -14.008 479 HA SER 58 HA SER 58 0.436 -9.224 -15.850 480 1HB SER 58 2HB SER 58 2.786 -10.265 -15.282 481 2HB SER 58 1HB SER 58 2.294 -11.495 -16.446 482 HG SER 58 HG SER 58 2.877 -8.795 -16.836 483 H TYR 59 H TYR 59 -0.854 -9.446 -17.562 484 HA TYR 59 HA TYR 59 -1.254 -11.718 -19.096 485 1HB TYR 59 2HB TYR 59 -3.760 -12.045 -18.258 486 2HB TYR 59 1HB TYR 59 -2.426 -12.966 -17.578 487 HD1 TYR 59 HD1 TYR 59 -3.042 -9.405 -16.802 488 HD2 TYR 59 HD2 TYR 59 -3.457 -13.426 -15.477 489 HE1 TYR 59 HE1 TYR 59 -3.634 -8.597 -14.558 490 HE2 TYR 59 HE2 TYR 59 -4.049 -12.628 -13.228 491 HH TYR 59 HH TYR 59 -5.105 -10.384 -12.289 492 H ASN 60 H ASN 60 -1.318 -10.358 -20.812 493 HA ASN 60 HA ASN 60 -2.385 -7.929 -21.195 494 1HB ASN 60 2HB ASN 60 -3.017 -8.804 -23.583 495 2HB ASN 60 1HB ASN 60 -1.333 -8.758 -23.078 496 1HD2 ASN 60 1HD2 ASN 60 -3.757 -10.638 -24.376 497 2HD2 ASN 60 2HD2 ASN 60 -3.019 -12.189 -24.193 498 H SER 61 H SER 61 -4.309 -10.847 -21.945 499 HA SER 61 HA SER 61 -6.742 -9.380 -22.144 500 1HB SER 61 2HB SER 61 -7.761 -11.434 -22.640 501 2HB SER 61 1HB SER 61 -6.106 -11.662 -23.206 502 HG SER 61 HG SER 61 -6.624 -13.440 -21.996 503 H VAL 62 H VAL 62 -8.404 -11.303 -20.690 504 HA VAL 62 HA VAL 62 -9.245 -11.790 -18.652 505 HB VAL 62 HB VAL 62 -8.051 -11.858 -16.718 506 1HG1 VAL 62 1HG1 VAL 62 -6.031 -12.827 -17.224 507 2HG1 VAL 62 2HG1 VAL 62 -5.658 -11.652 -18.485 508 3HG1 VAL 62 3HG1 VAL 62 -6.870 -12.900 -18.773 509 1HG2 VAL 62 1HG2 VAL 62 -5.936 -9.889 -17.306 510 2HG2 VAL 62 2HG2 VAL 62 -6.751 -10.266 -15.795 511 3HG2 VAL 62 3HG2 VAL 62 -7.536 -9.233 -16.982 512 H ASP 63 H ASP 63 -8.045 -8.495 -19.079 513 HA ASP 63 HA ASP 63 -9.085 -6.497 -18.790 514 1HB ASP 63 2HB ASP 63 -11.304 -6.384 -19.258 515 2HB ASP 63 1HB ASP 63 -11.082 -8.081 -19.660 516 H GLU 64 H GLU 64 -10.149 -8.901 -16.381 517 HA GLU 64 HA GLU 64 -10.821 -7.264 -14.297 518 1HB GLU 64 2HB GLU 64 -10.291 -9.090 -12.809 519 2HB GLU 64 1HB GLU 64 -10.989 -9.743 -14.284 520 1HG GLU 64 2HG GLU 64 -8.344 -9.804 -14.875 521 2HG GLU 64 1HG GLU 64 -8.319 -10.099 -13.138 522 H ILE 65 H ILE 65 -7.679 -7.824 -15.660 523 HA ILE 65 HA ILE 65 -5.801 -7.348 -13.815 524 HB ILE 65 HB ILE 65 -5.815 -5.451 -16.143 525 1HG1 ILE 65 2HG1 ILE 65 -5.166 -8.403 -16.271 526 2HG1 ILE 65 1HG1 ILE 65 -6.533 -7.613 -17.051 527 1HG2 ILE 65 1HG2 ILE 65 -3.339 -6.570 -15.964 528 2HG2 ILE 65 2HG2 ILE 65 -3.857 -6.563 -14.279 529 3HG2 ILE 65 3HG2 ILE 65 -3.829 -5.059 -15.199 530 1HD1 ILE 65 1HD1 ILE 65 -4.657 -6.162 -18.157 531 2HD1 ILE 65 2HD1 ILE 65 -5.076 -7.752 -18.793 532 3HD1 ILE 65 3HD1 ILE 65 -3.655 -7.560 -17.767 533 H ARG 66 H ARG 66 -7.391 -4.559 -15.362 534 HA ARG 66 HA ARG 66 -6.591 -2.807 -13.226 535 1HB ARG 66 2HB ARG 66 -8.312 -2.393 -15.673 536 2HB ARG 66 1HB ARG 66 -7.960 -1.120 -14.512 537 1HG ARG 66 2HG ARG 66 -5.464 -2.046 -15.088 538 2HG ARG 66 1HG ARG 66 -6.293 -2.249 -16.632 539 1HD ARG 66 2HD ARG 66 -6.830 0.310 -15.314 540 2HD ARG 66 1HD ARG 66 -5.138 0.066 -15.745 541 HE ARG 66 HE ARG 66 -5.704 0.197 -17.969 542 1HH1 ARG 66 2HH1 ARG 66 -8.609 -0.040 -16.046 543 2HH1 ARG 66 1HH1 ARG 66 -9.662 0.331 -17.370 544 1HH2 ARG 66 1HH2 ARG 66 -7.088 0.688 -19.705 545 2HH2 ARG 66 2HH2 ARG 66 -8.799 0.746 -19.446 546 H LYS 67 H LYS 67 -9.500 -4.501 -14.218 547 HA LYS 67 HA LYS 67 -11.409 -3.166 -12.702 548 1HB LYS 67 2HB LYS 67 -11.445 -5.340 -14.323 549 2HB LYS 67 1HB LYS 67 -11.643 -6.113 -12.756 550 1HG LYS 67 2HG LYS 67 -13.514 -4.405 -12.369 551 2HG LYS 67 1HG LYS 67 -13.429 -4.126 -14.110 552 1HD LYS 67 2HD LYS 67 -13.469 -6.935 -13.665 553 2HD LYS 67 1HD LYS 67 -14.761 -6.210 -12.706 554 1HE LYS 67 2HE LYS 67 -14.303 -5.824 -15.662 555 2HE LYS 67 1HE LYS 67 -15.559 -6.818 -14.926 556 1HZ LYS 67 1HZ LYS 67 -15.333 -3.885 -15.016 557 2HZ LYS 67 2HZ LYS 67 -16.213 -4.621 -13.772 558 3HZ LYS 67 3HZ LYS 67 -16.661 -4.866 -15.385 559 H GLU 68 H GLU 68 -9.089 -5.629 -11.748 560 HA GLU 68 HA GLU 68 -10.122 -5.959 -9.101 561 1HB GLU 68 2HB GLU 68 -8.484 -7.444 -10.647 562 2HB GLU 68 1HB GLU 68 -7.288 -6.623 -9.654 563 1HG GLU 68 2HG GLU 68 -7.617 -8.347 -8.270 564 2HG GLU 68 1HG GLU 68 -9.027 -7.421 -7.756 565 H LEU 69 H LEU 69 -7.297 -4.289 -10.476 566 HA LEU 69 HA LEU 69 -6.294 -3.255 -8.079 567 1HB LEU 69 2HB LEU 69 -6.012 -2.587 -10.958 568 2HB LEU 69 1HB LEU 69 -5.519 -1.359 -9.808 569 HG LEU 69 HG LEU 69 -4.001 -3.036 -8.750 570 1HD1 LEU 69 1HD1 LEU 69 -3.547 -5.111 -9.777 571 2HD1 LEU 69 2HD1 LEU 69 -4.509 -4.706 -11.198 572 3HD1 LEU 69 3HD1 LEU 69 -5.302 -5.006 -9.651 573 1HD2 LEU 69 1HD2 LEU 69 -3.548 -1.421 -10.843 574 2HD2 LEU 69 2HD2 LEU 69 -3.163 -2.976 -11.580 575 3HD2 LEU 69 3HD2 LEU 69 -2.308 -2.452 -10.129 576 H GLU 70 H GLU 70 -8.611 -1.879 -10.391 577 HA GLU 70 HA GLU 70 -8.951 0.599 -9.121 578 1HB GLU 70 2HB GLU 70 -10.000 -0.658 -11.366 579 2HB GLU 70 1HB GLU 70 -11.400 -0.430 -10.328 580 1HG GLU 70 2HG GLU 70 -11.429 1.779 -10.649 581 2HG GLU 70 1HG GLU 70 -9.677 1.920 -10.517 582 H GLU 71 H GLU 71 -10.283 -2.564 -8.491 583 HA GLU 71 HA GLU 71 -12.351 -1.736 -6.727 584 1HB GLU 71 2HB GLU 71 -12.293 -3.950 -7.850 585 2HB GLU 71 1HB GLU 71 -10.921 -4.397 -6.845 586 1HG GLU 71 2HG GLU 71 -12.688 -3.657 -4.949 587 2HG GLU 71 1HG GLU 71 -13.783 -4.257 -6.194 588 H ALA 72 H ALA 72 -9.046 -2.941 -6.221 589 HA ALA 72 HA ALA 72 -9.228 -2.467 -3.364 590 1HB ALA 72 1HB ALA 72 -7.309 -3.796 -5.183 591 2HB ALA 72 2HB ALA 72 -7.943 -4.316 -3.621 592 3HB ALA 72 3HB ALA 72 -6.658 -3.110 -3.694 593 H GLY 73 H GLY 73 -8.961 -0.387 -5.797 594 1HA GLY 73 2HA GLY 73 -6.699 1.147 -4.778 595 2HA GLY 73 1HA GLY 73 -7.638 1.509 -6.218 596 H ALA 74 H ALA 74 -10.169 1.735 -5.391 597 HA ALA 74 HA ALA 74 -10.314 3.356 -2.994 598 1HB ALA 74 1HB ALA 74 -11.352 4.805 -5.338 599 2HB ALA 74 2HB ALA 74 -9.596 4.695 -5.220 600 3HB ALA 74 3HB ALA 74 -10.525 5.408 -3.901 601 H LYS 75 H LYS 75 -11.550 0.901 -4.090 602 HA LYS 75 HA LYS 75 -14.305 1.646 -4.599 603 1HB LYS 75 2HB LYS 75 -12.832 -0.422 -5.478 604 2HB LYS 75 1HB LYS 75 -13.575 -1.183 -4.077 605 1HG LYS 75 2HG LYS 75 -15.224 -1.673 -5.507 606 2HG LYS 75 1HG LYS 75 -15.728 -0.006 -5.227 607 1HD LYS 75 2HD LYS 75 -15.478 0.388 -7.401 608 2HD LYS 75 1HD LYS 75 -13.748 0.094 -7.223 609 1HE LYS 75 2HE LYS 75 -13.949 -2.150 -7.862 610 2HE LYS 75 1HE LYS 75 -15.689 -2.166 -7.580 611 1HZ LYS 75 1HZ LYS 75 -15.873 -0.560 -9.464 612 2HZ LYS 75 2HZ LYS 75 -15.342 -2.104 -9.908 613 3HZ LYS 75 3HZ LYS 75 -14.235 -0.831 -9.793 614 H ILE 76 H ILE 76 -15.349 -0.744 -3.181 615 HA ILE 76 HA ILE 76 -16.476 0.258 -0.977 616 HB ILE 76 HB ILE 76 -16.139 -2.187 0.030 617 1HG1 ILE 76 2HG1 ILE 76 -14.448 -2.436 -2.065 618 2HG1 ILE 76 1HG1 ILE 76 -15.341 -3.790 -1.386 619 1HG2 ILE 76 1HG2 ILE 76 -17.833 -1.505 -2.375 620 2HG2 ILE 76 2HG2 ILE 76 -18.254 -1.246 -0.682 621 3HG2 ILE 76 3HG2 ILE 76 -18.089 -2.886 -1.309 622 1HD1 ILE 76 1HD1 ILE 76 -16.595 -2.221 -3.576 623 2HD1 ILE 76 2HD1 ILE 76 -16.747 -3.932 -3.176 624 3HD1 ILE 76 3HD1 ILE 76 -15.287 -3.337 -3.966 625 H ASN 77 H ASN 77 -13.886 -2.047 -0.211 626 HA ASN 77 HA ASN 77 -12.084 -0.366 1.028 627 1HB ASN 77 2HB ASN 77 -14.473 -0.366 2.482 628 2HB ASN 77 1HB ASN 77 -13.403 -1.436 3.382 629 1HD2 ASN 77 1HD2 ASN 77 -12.536 -0.358 4.992 630 2HD2 ASN 77 2HD2 ASN 77 -11.881 1.238 4.916 631 H HIS 78 H HIS 78 -10.962 -1.611 3.000 632 HA HIS 78 HA HIS 78 -10.632 -4.392 2.089 633 1HB HIS 78 2HB HIS 78 -8.688 -2.366 3.148 634 2HB HIS 78 1HB HIS 78 -8.346 -4.083 3.319 635 HD1 HIS 78 HD1 HIS 78 -6.307 -3.810 1.723 636 HD2 HIS 78 HD2 HIS 78 -9.986 -2.958 -0.011 637 HE1 HIS 78 HE1 HIS 78 -5.883 -3.744 -0.755 638 HE2 HIS 78 HE2 HIS 78 -8.100 -3.120 -1.774 639 H THR 79 H THR 79 -12.570 -4.653 3.593 640 HA THR 79 HA THR 79 -11.833 -4.702 6.419 641 HB THR 79 HB THR 79 -14.486 -5.381 5.140 642 HG1 THR 79 HG1 THR 79 -13.440 -2.941 6.100 643 1HG2 THR 79 1HG2 THR 79 -13.615 -4.989 7.964 644 2HG2 THR 79 2HG2 THR 79 -14.663 -6.227 7.272 645 3HG2 THR 79 3HG2 THR 79 -15.259 -4.580 7.474 646 H THR 80 H THR 80 -13.600 -6.965 4.304 647 HA THR 80 HA THR 80 -12.942 -9.222 5.893 648 HB THR 80 HB THR 80 -13.678 -10.384 3.605 649 HG1 THR 80 HG1 THR 80 -13.768 -8.630 2.299 650 1HG2 THR 80 1HG2 THR 80 -15.262 -10.820 5.123 651 2HG2 THR 80 2HG2 THR 80 -16.129 -9.514 4.314 652 3HG2 THR 80 3HG2 THR 80 -15.221 -9.187 5.790 653 H LEU 81 H LEU 81 -11.840 -8.215 2.653 654 HA LEU 81 HA LEU 81 -9.931 -8.641 1.494 655 1HB LEU 81 2HB LEU 81 -9.068 -8.761 4.327 656 2HB LEU 81 1HB LEU 81 -7.973 -9.455 3.147 657 HG LEU 81 HG LEU 81 -8.991 -6.613 3.155 658 1HD1 LEU 81 1HD1 LEU 81 -6.588 -6.095 3.565 659 2HD1 LEU 81 2HD1 LEU 81 -6.313 -7.818 3.823 660 3HD1 LEU 81 3HD1 LEU 81 -7.387 -6.926 4.900 661 1HD2 LEU 81 1HD2 LEU 81 -7.496 -8.229 1.165 662 2HD2 LEU 81 2HD2 LEU 81 -6.996 -6.555 1.409 663 3HD2 LEU 81 3HD2 LEU 81 -8.653 -6.920 0.925 664 H LYS 82 H LYS 82 -11.886 -10.806 2.175 665 HA LYS 82 HA LYS 82 -10.511 -13.243 2.541 666 1HB LYS 82 2HB LYS 82 -13.055 -12.685 2.705 667 2HB LYS 82 1HB LYS 82 -13.070 -13.052 0.986 668 1HG LYS 82 2HG LYS 82 -12.977 -15.248 1.345 669 2HG LYS 82 1HG LYS 82 -11.704 -15.082 2.556 670 1HD LYS 82 2HD LYS 82 -13.296 -15.745 3.999 671 2HD LYS 82 1HD LYS 82 -13.847 -14.072 3.892 672 1HE LYS 82 2HE LYS 82 -15.815 -15.030 3.353 673 2HE LYS 82 1HE LYS 82 -15.094 -15.125 1.747 674 1HZ LYS 82 1HZ LYS 82 -14.866 -17.347 1.884 675 2HZ LYS 82 2HZ LYS 82 -16.115 -17.218 3.017 676 3HZ LYS 82 3HZ LYS 82 -14.511 -17.337 3.539 677 H ILE 83 H ILE 83 -11.593 -11.541 -0.377 678 HA ILE 83 HA ILE 83 -10.855 -13.444 -2.271 679 HB ILE 83 HB ILE 83 -10.675 -11.562 -3.872 680 1HG1 ILE 83 2HG1 ILE 83 -11.551 -9.334 -2.594 681 2HG1 ILE 83 1HG1 ILE 83 -10.532 -10.037 -1.342 682 1HG2 ILE 83 1HG2 ILE 83 -12.995 -10.825 -3.686 683 2HG2 ILE 83 2HG2 ILE 83 -13.050 -11.402 -2.021 684 3HG2 ILE 83 3HG2 ILE 83 -12.846 -12.549 -3.345 685 1HD1 ILE 83 1HD1 ILE 83 -9.172 -8.551 -2.553 686 2HD1 ILE 83 2HD1 ILE 83 -9.743 -9.171 -4.102 687 3HD1 ILE 83 3HD1 ILE 83 -8.711 -10.170 -3.079 688 H LEU 84 H LEU 84 -8.929 -10.990 -0.633 689 HA LEU 84 HA LEU 84 -6.600 -11.272 -2.211 690 1HB LEU 84 2HB LEU 84 -6.922 -9.334 -0.797 691 2HB LEU 84 1HB LEU 84 -6.959 -10.342 0.638 692 HG LEU 84 HG LEU 84 -4.501 -10.520 -0.999 693 1HD1 LEU 84 1HD1 LEU 84 -4.648 -8.202 -1.195 694 2HD1 LEU 84 2HD1 LEU 84 -3.658 -8.441 0.244 695 3HD1 LEU 84 3HD1 LEU 84 -5.362 -8.018 0.408 696 1HD2 LEU 84 1HD2 LEU 84 -5.244 -11.474 1.404 697 2HD2 LEU 84 2HD2 LEU 84 -4.469 -9.969 1.896 698 3HD2 LEU 84 3HD2 LEU 84 -3.568 -11.157 0.954 699 H GLU 85 H GLU 85 -7.866 -13.020 0.544 700 HA GLU 85 HA GLU 85 -5.466 -14.441 1.140 701 1HB GLU 85 2HB GLU 85 -7.256 -14.150 2.799 702 2HB GLU 85 1HB GLU 85 -8.338 -15.116 1.804 703 1HG GLU 85 2HG GLU 85 -6.983 -17.072 2.135 704 2HG GLU 85 1HG GLU 85 -5.769 -16.129 2.998 705 H GLY 86 H GLY 86 -8.131 -14.915 -1.064 706 1HA GLY 86 2HA GLY 86 -7.313 -17.646 -1.674 707 2HA GLY 86 1HA GLY 86 -8.689 -16.793 -2.356 708 H HIS 87 H HIS 87 -7.019 -14.437 -3.005 709 HA HIS 87 HA HIS 87 -6.072 -15.393 -5.567 710 1HB HIS 87 2HB HIS 87 -7.003 -13.404 -6.081 711 2HB HIS 87 1HB HIS 87 -6.915 -12.837 -4.420 712 HD1 HIS 87 HD1 HIS 87 -4.322 -13.433 -7.159 713 HD2 HIS 87 HD2 HIS 87 -5.416 -10.606 -4.316 714 HE1 HIS 87 HE1 HIS 87 -2.670 -11.553 -7.409 715 HE2 HIS 87 HE2 HIS 87 -3.313 -9.881 -5.637 716 H LEU 88 HN LEU 88 -4.746 -14.154 -2.573 717 HA LEU 88 HA LEU 88 -2.034 -14.546 -3.660 718 1HB LEU 88 2HB LEU 88 -3.058 -12.625 -1.582 719 2HB LEU 88 1HB LEU 88 -1.353 -12.997 -1.751 720 HG LEU 88 HG LEU 88 -2.731 -12.149 -4.225 721 1HD1 LEU 88 1HD1 LEU 88 -2.370 -10.345 -1.853 722 2HD1 LEU 88 2HD1 LEU 88 -3.799 -10.569 -2.861 723 3HD1 LEU 88 3HD1 LEU 88 -2.388 -9.731 -3.506 724 1HD2 LEU 88 1HD2 LEU 88 -0.259 -10.881 -3.227 725 2HD2 LEU 88 2HD2 LEU 88 -0.661 -11.484 -4.836 726 3HD2 LEU 88 3HD2 LEU 88 -0.171 -12.609 -3.569 Start of MODEL 5 1 1H LEU 1 1H LEU 1 -14.510 19.443 -6.392 2 2H LEU 1 2H LEU 1 -14.149 17.936 -5.656 3 3H LEU 1 3H LEU 1 -15.719 18.233 -6.283 4 HA LEU 1 HA LEU 1 -14.708 16.896 -7.829 5 1HB LEU 1 2HB LEU 1 -14.258 19.728 -8.770 6 2HB LEU 1 1HB LEU 1 -14.617 18.331 -9.765 7 HG LEU 1 HG LEU 1 -16.624 19.534 -9.680 8 1HD1 LEU 1 1HD1 LEU 1 -16.537 16.999 -8.742 9 2HD1 LEU 1 2HD1 LEU 1 -18.024 17.894 -9.053 10 3HD1 LEU 1 3HD1 LEU 1 -17.367 17.816 -7.418 11 1HD2 LEU 1 1HD2 LEU 1 -17.294 20.883 -8.018 12 2HD2 LEU 1 2HD2 LEU 1 -15.646 20.685 -7.422 13 3HD2 LEU 1 3HD2 LEU 1 -16.946 19.688 -6.770 14 H PHE 2 H PHE 2 -12.712 16.636 -6.153 15 HA PHE 2 HA PHE 2 -10.316 17.323 -7.719 16 1HB PHE 2 2HB PHE 2 -9.333 16.969 -5.181 17 2HB PHE 2 1HB PHE 2 -9.669 18.526 -5.929 18 HD1 PHE 2 HD1 PHE 2 -12.067 19.455 -5.607 19 HD2 PHE 2 HD2 PHE 2 -10.342 16.415 -3.180 20 HE1 PHE 2 HE1 PHE 2 -13.687 19.963 -3.826 21 HE2 PHE 2 HE2 PHE 2 -11.959 16.916 -1.396 22 HZ PHE 2 HZ PHE 2 -13.635 18.692 -1.717 23 H ILE 3 H ILE 3 -10.608 15.306 -4.822 24 HA ILE 3 HA ILE 3 -9.886 13.177 -4.418 25 HB ILE 3 HB ILE 3 -11.268 12.635 -7.049 26 1HG1 ILE 3 2HG1 ILE 3 -13.187 12.030 -5.436 27 2HG1 ILE 3 1HG1 ILE 3 -12.301 12.971 -4.240 28 1HG2 ILE 3 1HG2 ILE 3 -10.134 10.917 -4.940 29 2HG2 ILE 3 2HG2 ILE 3 -10.387 10.596 -6.656 30 3HG2 ILE 3 3HG2 ILE 3 -11.734 10.462 -5.527 31 1HD1 ILE 3 1HD1 ILE 3 -14.178 13.953 -5.944 32 2HD1 ILE 3 2HD1 ILE 3 -12.679 14.351 -6.783 33 3HD1 ILE 3 3HD1 ILE 3 -12.941 14.911 -5.132 34 H ALA 4 H ALA 4 -7.656 13.416 -4.574 35 HA ALA 4 HA ALA 4 -6.441 12.782 -7.174 36 1HB ALA 4 1HB ALA 4 -4.343 13.669 -6.143 37 2HB ALA 4 2HB ALA 4 -5.301 14.133 -4.736 38 3HB ALA 4 3HB ALA 4 -5.637 14.856 -6.310 39 H THR 5 H THR 5 -6.889 10.514 -6.934 40 HA THR 5 HA THR 5 -5.874 9.001 -4.750 41 HB THR 5 HB THR 5 -6.280 7.042 -6.266 42 HG1 THR 5 HG1 THR 5 -6.325 7.463 -8.305 43 1HG2 THR 5 1HG2 THR 5 -8.134 7.596 -4.949 44 2HG2 THR 5 2HG2 THR 5 -8.751 7.469 -6.597 45 3HG2 THR 5 3HG2 THR 5 -8.465 9.056 -5.880 46 H LEU 6 H LEU 6 -3.781 8.779 -4.318 47 HA LEU 6 HA LEU 6 -1.752 9.175 -6.291 48 1HB LEU 6 2HB LEU 6 -1.629 9.667 -3.779 49 2HB LEU 6 1HB LEU 6 -1.336 7.950 -3.576 50 HG LEU 6 HG LEU 6 0.729 9.343 -3.579 51 1HD1 LEU 6 1HD1 LEU 6 0.711 7.498 -5.945 52 2HD1 LEU 6 2HD1 LEU 6 0.583 6.902 -4.290 53 3HD1 LEU 6 3HD1 LEU 6 2.011 7.805 -4.794 54 1HD2 LEU 6 1HD2 LEU 6 0.477 9.628 -6.533 55 2HD2 LEU 6 2HD2 LEU 6 1.430 10.568 -5.384 56 3HD2 LEU 6 3HD2 LEU 6 -0.313 10.810 -5.489 57 H LYS 7 H LYS 7 -2.486 7.522 -7.804 58 HA LYS 7 HA LYS 7 -1.853 4.771 -7.012 59 1HB LYS 7 2HB LYS 7 -4.023 5.113 -8.086 60 2HB LYS 7 1HB LYS 7 -3.236 5.843 -9.479 61 1HG LYS 7 2HG LYS 7 -2.588 3.852 -10.332 62 2HG LYS 7 1HG LYS 7 -2.362 3.118 -8.743 63 1HD LYS 7 2HD LYS 7 -4.234 2.094 -9.942 64 2HD LYS 7 1HD LYS 7 -4.782 2.919 -8.482 65 1HE LYS 7 2HE LYS 7 -6.163 3.254 -10.597 66 2HE LYS 7 1HE LYS 7 -5.701 4.700 -9.699 67 1HZ LYS 7 1HZ LYS 7 -4.280 3.662 -12.092 68 2HZ LYS 7 2HZ LYS 7 -3.927 5.092 -11.261 69 3HZ LYS 7 3HZ LYS 7 -5.386 4.942 -12.102 70 H GLY 8 H GLY 8 0.215 4.244 -7.287 71 1HA GLY 8 2HA GLY 8 1.566 5.185 -9.742 72 2HA GLY 8 1HA GLY 8 2.395 4.956 -8.210 73 H ILE 9 H ILE 9 3.135 3.782 -10.695 74 HA ILE 9 HA ILE 9 2.392 0.966 -10.400 75 HB ILE 9 HB ILE 9 4.104 2.193 -12.558 76 1HG1 ILE 9 2HG1 ILE 9 1.179 1.504 -12.807 77 2HG1 ILE 9 1HG1 ILE 9 1.721 3.117 -12.355 78 1HG2 ILE 9 1HG2 ILE 9 3.110 0.087 -13.745 79 2HG2 ILE 9 2HG2 ILE 9 2.887 -0.489 -12.092 80 3HG2 ILE 9 3HG2 ILE 9 4.500 -0.068 -12.670 81 1HD1 ILE 9 1HD1 ILE 9 3.089 2.157 -14.709 82 2HD1 ILE 9 2HD1 ILE 9 2.166 3.639 -14.460 83 3HD1 ILE 9 3HD1 ILE 9 1.338 2.150 -14.914 84 H PHE 10 H PHE 10 4.052 -0.680 -10.449 85 HA PHE 10 HA PHE 10 6.730 0.156 -9.646 86 1HB PHE 10 2HB PHE 10 4.749 -1.167 -7.902 87 2HB PHE 10 1HB PHE 10 6.354 -1.884 -7.890 88 HD1 PHE 10 HD1 PHE 10 4.549 1.322 -7.411 89 HD2 PHE 10 HD2 PHE 10 8.060 -0.948 -6.623 90 HE1 PHE 10 HE1 PHE 10 5.287 3.031 -5.797 91 HE2 PHE 10 HE2 PHE 10 8.802 0.754 -5.011 92 HZ PHE 10 HZ PHE 10 7.412 2.741 -4.586 93 H THR 11 H THR 11 6.314 -0.790 -12.068 94 HA THR 11 HA THR 11 6.540 -3.673 -12.144 95 HB THR 11 HB THR 11 5.276 -2.489 -13.891 96 HG1 THR 11 HG1 THR 11 6.396 -4.477 -14.361 97 1HG2 THR 11 1HG2 THR 11 6.474 -1.280 -15.661 98 2HG2 THR 11 2HG2 THR 11 7.932 -1.317 -14.671 99 3HG2 THR 11 3HG2 THR 11 6.508 -0.439 -14.112 100 H LEU 12 H LEU 12 8.282 -4.795 -12.065 101 HA LEU 12 HA LEU 12 10.470 -5.375 -11.944 102 1HB LEU 12 2HB LEU 12 10.498 -3.376 -14.186 103 2HB LEU 12 1HB LEU 12 11.963 -4.185 -13.667 104 HG LEU 12 HG LEU 12 11.083 -6.333 -14.287 105 1HD1 LEU 12 1HD1 LEU 12 8.519 -4.842 -14.485 106 2HD1 LEU 12 2HD1 LEU 12 8.854 -6.427 -13.791 107 3HD1 LEU 12 3HD1 LEU 12 8.780 -6.229 -15.542 108 1HD2 LEU 12 1HD2 LEU 12 11.415 -6.084 -16.500 109 2HD2 LEU 12 2HD2 LEU 12 11.791 -4.421 -16.051 110 3HD2 LEU 12 3HD2 LEU 12 10.185 -4.830 -16.652 111 H LYS 13 H LYS 13 12.603 -4.669 -11.293 112 HA LYS 13 HA LYS 13 12.441 -2.560 -9.364 113 1HB LYS 13 2HB LYS 13 14.307 -3.457 -8.435 114 2HB LYS 13 1HB LYS 13 13.863 -4.837 -9.425 115 1HG LYS 13 2HG LYS 13 15.431 -4.059 -11.162 116 2HG LYS 13 1HG LYS 13 15.910 -2.734 -10.101 117 1HD LYS 13 2HD LYS 13 16.011 -5.417 -8.893 118 2HD LYS 13 1HD LYS 13 17.162 -5.133 -10.199 119 1HE LYS 13 2HE LYS 13 17.885 -3.060 -9.024 120 2HE LYS 13 1HE LYS 13 16.833 -3.508 -7.681 121 1HZ LYS 13 1HZ LYS 13 18.908 -5.361 -8.669 122 2HZ LYS 13 2HZ LYS 13 18.148 -5.332 -7.159 123 3HZ LYS 13 3HZ LYS 13 19.287 -4.146 -7.554 124 H ASP 14 H ASP 14 12.644 -2.312 -12.553 125 HA ASP 14 HA ASP 14 14.797 -0.391 -12.752 126 1HB ASP 14 2HB ASP 14 13.005 -1.804 -14.654 127 2HB ASP 14 1HB ASP 14 13.616 -0.230 -15.153 128 H LEU 15 H LEU 15 11.321 -0.411 -12.332 129 HA LEU 15 HA LEU 15 11.225 2.464 -12.925 130 1HB LEU 15 2HB LEU 15 8.978 2.268 -13.316 131 2HB LEU 15 1HB LEU 15 9.593 0.731 -13.872 132 HG LEU 15 HG LEU 15 7.889 -0.138 -12.727 133 1HD1 LEU 15 1HD1 LEU 15 8.610 -1.125 -10.873 134 2HD1 LEU 15 2HD1 LEU 15 8.782 0.404 -10.019 135 3HD1 LEU 15 3HD1 LEU 15 10.076 -0.177 -11.058 136 1HD2 LEU 15 1HD2 LEU 15 6.329 1.152 -11.815 137 2HD2 LEU 15 2HD2 LEU 15 7.395 2.507 -12.177 138 3HD2 LEU 15 3HD2 LEU 15 7.432 1.759 -10.581 139 HA PRO 16 HA PRO 16 10.956 1.747 -8.030 140 1HB PRO 16 2HB PRO 16 13.303 3.572 -8.328 141 2HB PRO 16 1HB PRO 16 12.983 2.347 -7.097 142 1HG PRO 16 2HG PRO 16 14.689 1.877 -9.088 143 2HG PRO 16 1HG PRO 16 13.619 0.604 -8.472 144 1HD PRO 16 2HD PRO 16 13.484 2.119 -11.016 145 2HD PRO 16 1HD PRO 16 12.913 0.485 -10.631 146 H GLU 17 H GLU 17 9.008 2.950 -8.593 147 HA GLU 17 HA GLU 17 7.888 4.982 -9.167 148 1HB GLU 17 2HB GLU 17 7.305 4.123 -6.957 149 2HB GLU 17 1HB GLU 17 8.620 5.042 -6.240 150 1HG GLU 17 2HG GLU 17 7.237 6.985 -7.559 151 2HG GLU 17 1HG GLU 17 5.948 5.895 -7.051 152 H GLU 18 H GLU 18 10.096 6.186 -6.664 153 HA GLU 18 HA GLU 18 10.565 8.542 -8.325 154 1HB GLU 18 2HB GLU 18 9.712 8.630 -5.891 155 2HB GLU 18 1HB GLU 18 11.375 8.268 -5.452 156 1HG GLU 18 2HG GLU 18 11.278 10.575 -5.326 157 2HG GLU 18 1HG GLU 18 11.983 10.288 -6.917 158 H PHE 19 H PHE 19 12.301 6.208 -6.373 159 HA PHE 19 HA PHE 19 14.518 6.060 -8.139 160 1HB PHE 19 2HB PHE 19 14.797 7.747 -5.663 161 2HB PHE 19 1HB PHE 19 16.182 6.897 -6.335 162 HD1 PHE 19 HD1 PHE 19 14.398 9.897 -6.339 163 HD2 PHE 19 HD2 PHE 19 16.545 7.287 -8.925 164 HE1 PHE 19 HE1 PHE 19 14.759 11.757 -7.908 165 HE2 PHE 19 HE2 PHE 19 16.912 9.143 -10.500 166 HZ PHE 19 HZ PHE 19 16.017 11.381 -9.991 167 H ARG 20 H ARG 20 13.941 5.867 -4.631 168 HA ARG 20 HA ARG 20 14.410 2.979 -4.737 169 1HB ARG 20 2HB ARG 20 15.889 4.970 -3.036 170 2HB ARG 20 1HB ARG 20 15.691 3.305 -2.506 171 1HG ARG 20 2HG ARG 20 16.634 2.783 -4.909 172 2HG ARG 20 1HG ARG 20 17.306 4.405 -4.742 173 1HD ARG 20 2HD ARG 20 17.643 2.283 -2.639 174 2HD ARG 20 1HD ARG 20 18.772 2.481 -3.977 175 HE ARG 20 HE ARG 20 18.517 4.968 -2.806 176 1HH1 ARG 20 2HH1 ARG 20 19.597 1.793 -1.840 177 2HH1 ARG 20 1HH1 ARG 20 20.727 2.396 -0.673 178 1HH2 ARG 20 1HH2 ARG 20 20.003 5.763 -1.275 179 2HH2 ARG 20 2HH2 ARG 20 20.957 4.649 -0.353 180 HA PRO 21 HA PRO 21 10.451 4.256 -2.605 181 1HB PRO 21 2HB PRO 21 9.935 1.471 -3.527 182 2HB PRO 21 1HB PRO 21 8.877 2.886 -3.554 183 1HG PRO 21 2HG PRO 21 10.060 2.044 -5.781 184 2HG PRO 21 1HG PRO 21 9.895 3.777 -5.440 185 1HD PRO 21 2HD PRO 21 12.300 2.025 -5.249 186 2HD PRO 21 1HD PRO 21 12.179 3.733 -5.719 187 H PHE 22 H PHE 22 9.068 2.577 -1.214 188 HA PHE 22 HA PHE 22 10.881 1.711 0.895 189 1HB PHE 22 2HB PHE 22 9.120 3.109 1.666 190 2HB PHE 22 1HB PHE 22 7.907 2.205 0.765 191 HD1 PHE 22 HD1 PHE 22 10.597 1.148 3.108 192 HD2 PHE 22 HD2 PHE 22 6.434 1.256 2.241 193 HE1 PHE 22 HE1 PHE 22 10.153 -0.219 5.108 194 HE2 PHE 22 HE2 PHE 22 5.978 -0.111 4.240 195 HZ PHE 22 HZ PHE 22 7.840 -0.851 5.675 196 H VAL 23 H VAL 23 8.569 0.416 -1.393 197 HA VAL 23 HA VAL 23 8.311 -2.151 -0.226 198 HB VAL 23 HB VAL 23 7.359 -2.872 -2.332 199 1HG1 VAL 23 1HG1 VAL 23 5.452 -1.713 -2.053 200 2HG1 VAL 23 2HG1 VAL 23 6.247 -0.153 -2.263 201 3HG1 VAL 23 3HG1 VAL 23 6.319 -0.977 -0.705 202 1HG2 VAL 23 1HG2 VAL 23 8.576 -0.340 -3.387 203 2HG2 VAL 23 2HG2 VAL 23 7.228 -1.133 -4.202 204 3HG2 VAL 23 3HG2 VAL 23 8.757 -1.986 -3.989 205 H ASP 24 H ASP 24 10.955 -0.694 -1.737 206 HA ASP 24 HA ASP 24 12.135 -2.629 -3.285 207 1HB ASP 24 2HB ASP 24 12.983 -0.265 -2.523 208 2HB ASP 24 1HB ASP 24 13.809 -1.179 -1.264 209 H TYR 25 H TYR 25 11.671 -2.628 0.163 210 HA TYR 25 HA TYR 25 13.537 -4.588 0.887 211 1HB TYR 25 2HB TYR 25 12.423 -4.699 2.943 212 2HB TYR 25 1HB TYR 25 12.047 -3.076 2.380 213 HD1 TYR 25 HD1 TYR 25 9.801 -2.958 0.923 214 HD2 TYR 25 HD2 TYR 25 10.698 -5.955 3.806 215 HE1 TYR 25 HE1 TYR 25 7.401 -3.430 1.171 216 HE2 TYR 25 HE2 TYR 25 8.300 -6.437 4.061 217 HH TYR 25 HH TYR 25 6.233 -6.174 2.880 218 H LYS 26 H LYS 26 10.329 -4.782 -0.505 219 HA LYS 26 HA LYS 26 9.820 -7.505 -0.129 220 1HB LYS 26 2HB LYS 26 8.280 -5.644 -1.055 221 2HB LYS 26 1HB LYS 26 8.991 -6.032 -2.615 222 1HG LYS 26 2HG LYS 26 8.236 -8.356 -2.364 223 2HG LYS 26 1HG LYS 26 7.481 -7.927 -0.828 224 1HD LYS 26 2HD LYS 26 5.773 -6.802 -1.828 225 2HD LYS 26 1HD LYS 26 6.770 -6.284 -3.190 226 1HE LYS 26 2HE LYS 26 5.084 -7.859 -3.935 227 2HE LYS 26 1HE LYS 26 6.692 -8.564 -4.096 228 1HZ LYS 26 1HZ LYS 26 5.719 -10.287 -3.060 229 2HZ LYS 26 2HZ LYS 26 4.490 -9.346 -2.379 230 3HZ LYS 26 3HZ LYS 26 6.018 -9.392 -1.656 231 H ALA 27 H ALA 27 11.781 -5.810 -2.474 232 HA ALA 27 HA ALA 27 12.190 -8.003 -4.234 233 1HB ALA 27 1HB ALA 27 13.806 -6.666 -5.303 234 2HB ALA 27 2HB ALA 27 14.110 -5.722 -3.845 235 3HB ALA 27 3HB ALA 27 12.587 -5.534 -4.716 236 H GLY 28 H GLY 28 13.567 -7.016 -1.207 237 1HA GLY 28 2HA GLY 28 15.522 -9.227 -1.419 238 2HA GLY 28 1HA GLY 28 15.856 -7.735 -0.554 239 H LEU 29 H LEU 29 12.706 -9.228 -0.352 240 HA LEU 29 HA LEU 29 12.330 -9.212 2.300 241 1HB LEU 29 2HB LEU 29 11.559 -11.434 0.428 242 2HB LEU 29 1HB LEU 29 10.923 -11.262 2.052 243 HG LEU 29 HG LEU 29 10.644 -9.008 0.116 244 1HD1 LEU 29 1HD1 LEU 29 8.537 -9.912 -0.673 245 2HD1 LEU 29 2HD1 LEU 29 8.790 -11.378 0.275 246 3HD1 LEU 29 3HD1 LEU 29 9.862 -11.005 -1.075 247 1HD2 LEU 29 1HD2 LEU 29 10.017 -9.204 2.713 248 2HD2 LEU 29 2HD2 LEU 29 8.522 -9.812 2.002 249 3HD2 LEU 29 3HD2 LEU 29 9.114 -8.208 1.574 250 H GLU 30 H GLU 30 13.323 -12.247 0.837 251 HA GLU 30 HA GLU 30 15.557 -12.724 2.454 252 1HB GLU 30 2HB GLU 30 13.923 -12.815 4.280 253 2HB GLU 30 1HB GLU 30 13.017 -14.050 3.419 254 1HG GLU 30 2HG GLU 30 14.264 -15.183 5.052 255 2HG GLU 30 1HG GLU 30 15.093 -15.476 3.524 256 H LYS 31 H LYS 31 16.423 -13.530 0.602 257 HA LYS 31 HA LYS 31 17.132 -15.272 -0.706 258 1HB LYS 31 2HB LYS 31 16.079 -16.764 1.107 259 2HB LYS 31 1HB LYS 31 14.689 -16.867 0.035 260 1HG LYS 31 2HG LYS 31 15.671 -18.417 -1.204 261 2HG LYS 31 1HG LYS 31 17.111 -17.418 -1.412 262 1HD LYS 31 2HD LYS 31 17.710 -19.514 -0.358 263 2HD LYS 31 1HD LYS 31 17.928 -18.187 0.785 264 1HE LYS 31 2HE LYS 31 15.477 -18.798 1.482 265 2HE LYS 31 1HE LYS 31 15.874 -20.352 0.750 266 1HZ LYS 31 1HZ LYS 31 17.648 -20.658 2.262 267 2HZ LYS 31 2HZ LYS 31 16.317 -20.174 3.188 268 3HZ LYS 31 3HZ LYS 31 17.547 -19.068 2.834 269 H LYS 32 H LYS 32 15.679 -13.119 -1.623 270 HA LYS 32 HA LYS 32 13.856 -14.223 -3.640 271 1HB LYS 32 2HB LYS 32 14.142 -11.613 -2.297 272 2HB LYS 32 1HB LYS 32 13.780 -11.519 -4.015 273 1HG LYS 32 2HG LYS 32 12.174 -13.129 -2.044 274 2HG LYS 32 1HG LYS 32 11.785 -11.478 -2.530 275 1HD LYS 32 2HD LYS 32 12.243 -13.266 -4.790 276 2HD LYS 32 1HD LYS 32 10.903 -13.777 -3.763 277 1HE LYS 32 2HE LYS 32 10.604 -11.013 -4.051 278 2HE LYS 32 1HE LYS 32 11.049 -11.601 -5.652 279 1HZ LYS 32 1HZ LYS 32 9.226 -13.407 -4.936 280 2HZ LYS 32 2HZ LYS 32 8.858 -11.999 -5.797 281 3HZ LYS 32 3HZ LYS 32 8.627 -12.049 -4.123 282 H LYS 33 H LYS 33 14.061 -12.514 -5.700 283 HA LYS 33 HA LYS 33 16.878 -12.734 -6.539 284 1HB LYS 33 2HB LYS 33 14.561 -13.908 -7.693 285 2HB LYS 33 1HB LYS 33 15.144 -12.680 -8.809 286 1HG LYS 33 2HG LYS 33 17.434 -14.029 -8.005 287 2HG LYS 33 1HG LYS 33 16.217 -15.292 -8.207 288 1HD LYS 33 2HD LYS 33 15.705 -14.295 -10.458 289 2HD LYS 33 1HD LYS 33 17.116 -13.257 -10.242 290 1HE LYS 33 2HE LYS 33 17.592 -16.117 -9.766 291 2HE LYS 33 1HE LYS 33 17.160 -15.703 -11.424 292 1HZ LYS 33 1HZ LYS 33 18.963 -13.828 -10.927 293 2HZ LYS 33 2HZ LYS 33 19.366 -15.341 -11.565 294 3HZ LYS 33 3HZ LYS 33 19.555 -15.046 -9.911 295 H LEU 34 H LEU 34 17.758 -10.784 -6.668 296 HA LEU 34 HA LEU 34 16.091 -8.467 -7.261 297 1HB LEU 34 2HB LEU 34 19.033 -8.329 -6.726 298 2HB LEU 34 1HB LEU 34 17.792 -7.138 -6.386 299 HG LEU 34 HG LEU 34 16.995 -9.177 -4.770 300 1HD1 LEU 34 1HD1 LEU 34 18.669 -10.470 -4.000 301 2HD1 LEU 34 2HD1 LEU 34 19.874 -9.191 -4.157 302 3HD1 LEU 34 3HD1 LEU 34 19.386 -10.123 -5.573 303 1HD2 LEU 34 1HD2 LEU 34 17.473 -7.740 -3.064 304 2HD2 LEU 34 2HD2 LEU 34 17.612 -6.629 -4.426 305 3HD2 LEU 34 3HD2 LEU 34 19.063 -7.327 -3.707 306 H SER 35 H SER 35 16.259 -10.069 -9.441 307 HA SER 35 HA SER 35 18.321 -8.909 -11.170 308 1HB SER 35 2HB SER 35 17.875 -10.699 -12.707 309 2HB SER 35 1HB SER 35 17.992 -11.408 -11.097 310 HG SER 35 HG SER 35 16.187 -12.243 -12.115 311 H ASP 36 H ASP 36 16.000 -7.403 -10.248 312 HA ASP 36 HA ASP 36 14.597 -5.832 -11.083 313 1HB ASP 36 2HB ASP 36 15.319 -4.887 -12.981 314 2HB ASP 36 1HB ASP 36 16.446 -6.225 -13.133 315 H ASP 37 H ASP 37 14.046 -8.916 -11.025 316 HA ASP 37 HA ASP 37 11.733 -9.064 -12.774 317 1HB ASP 37 2HB ASP 37 11.545 -11.377 -11.983 318 2HB ASP 37 1HB ASP 37 13.180 -11.030 -12.537 319 H ASP 38 H ASP 38 12.071 -7.401 -10.119 320 HA ASP 38 HA ASP 38 9.935 -8.437 -8.486 321 1HB ASP 38 2HB ASP 38 12.027 -7.018 -7.780 322 2HB ASP 38 1HB ASP 38 11.006 -5.651 -8.216 323 H GLU 39 H GLU 39 7.882 -8.250 -9.083 324 HA GLU 39 HA GLU 39 7.050 -5.818 -10.524 325 1HB GLU 39 2HB GLU 39 5.569 -8.443 -10.522 326 2HB GLU 39 1HB GLU 39 5.348 -7.076 -11.607 327 1HG GLU 39 2HG GLU 39 6.645 -8.162 -13.037 328 2HG GLU 39 1HG GLU 39 7.993 -7.764 -11.972 329 H ILE 40 H ILE 40 5.904 -4.442 -9.347 330 HA ILE 40 HA ILE 40 3.896 -5.454 -7.487 331 HB ILE 40 HB ILE 40 5.780 -3.301 -6.561 332 1HG1 ILE 40 2HG1 ILE 40 6.710 -5.238 -5.091 333 2HG1 ILE 40 1HG1 ILE 40 6.069 -6.286 -6.352 334 1HG2 ILE 40 1HG2 ILE 40 3.885 -3.224 -5.248 335 2HG2 ILE 40 2HG2 ILE 40 4.924 -4.306 -4.321 336 3HG2 ILE 40 3HG2 ILE 40 3.632 -4.967 -5.324 337 1HD1 ILE 40 1HD1 ILE 40 8.532 -4.923 -6.288 338 2HD1 ILE 40 2HD1 ILE 40 7.567 -4.201 -7.575 339 3HD1 ILE 40 3HD1 ILE 40 7.874 -5.938 -7.572 340 H ALA 41 H ALA 41 2.499 -3.656 -6.649 341 HA ALA 41 HA ALA 41 2.398 -1.336 -8.441 342 1HB ALA 41 1HB ALA 41 0.110 -3.220 -7.886 343 2HB ALA 41 2HB ALA 41 0.858 -2.869 -9.445 344 3HB ALA 41 3HB ALA 41 -0.079 -1.627 -8.617 345 H ILE 42 H ILE 42 2.451 0.418 -7.189 346 HA ILE 42 HA ILE 42 1.613 0.257 -4.416 347 HB ILE 42 HB ILE 42 3.711 1.429 -5.096 348 1HG1 ILE 42 2HG1 ILE 42 2.853 3.662 -3.795 349 2HG1 ILE 42 1HG1 ILE 42 1.574 2.523 -3.383 350 1HG2 ILE 42 1HG2 ILE 42 3.465 3.761 -5.953 351 2HG2 ILE 42 2HG2 ILE 42 1.769 3.405 -6.278 352 3HG2 ILE 42 3HG2 ILE 42 3.034 2.508 -7.116 353 1HD1 ILE 42 1HD1 ILE 42 2.881 1.777 -1.765 354 2HD1 ILE 42 2HD1 ILE 42 4.245 2.731 -2.351 355 3HD1 ILE 42 3HD1 ILE 42 3.950 1.120 -3.005 356 H ILE 43 H ILE 43 -0.048 1.382 -3.473 357 HA ILE 43 HA ILE 43 -1.719 3.103 -5.129 358 HB ILE 43 HB ILE 43 -2.939 0.793 -3.623 359 1HG1 ILE 43 2HG1 ILE 43 -2.427 1.075 -6.594 360 2HG1 ILE 43 1HG1 ILE 43 -1.620 -0.056 -5.511 361 1HG2 ILE 43 1HG2 ILE 43 -4.744 2.096 -3.818 362 2HG2 ILE 43 2HG2 ILE 43 -4.721 1.643 -5.522 363 3HG2 ILE 43 3HG2 ILE 43 -3.968 3.150 -5.001 364 1HD1 ILE 43 1HD1 ILE 43 -3.449 -1.014 -6.932 365 2HD1 ILE 43 2HD1 ILE 43 -4.586 -0.063 -5.976 366 3HD1 ILE 43 3HD1 ILE 43 -3.604 -1.304 -5.199 367 H SER 44 H SER 44 -2.839 4.635 -3.993 368 HA SER 44 HA SER 44 -3.095 4.485 -1.122 369 1HB SER 44 2HB SER 44 -0.914 5.340 -1.030 370 2HB SER 44 1HB SER 44 -1.151 6.354 -2.452 371 HG SER 44 HG SER 44 -1.914 7.875 -1.217 372 H ILE 45 H ILE 45 -4.606 5.951 -0.294 373 HA ILE 45 HA ILE 45 -6.013 7.558 -2.326 374 HB ILE 45 HB ILE 45 -7.243 6.054 -0.010 375 1HG1 ILE 45 2HG1 ILE 45 -8.432 5.273 -2.411 376 2HG1 ILE 45 1HG1 ILE 45 -6.715 5.367 -2.785 377 1HG2 ILE 45 1HG2 ILE 45 -8.689 7.802 -0.147 378 2HG2 ILE 45 2HG2 ILE 45 -9.356 6.803 -1.438 379 3HG2 ILE 45 3HG2 ILE 45 -8.287 8.149 -1.828 380 1HD1 ILE 45 1HD1 ILE 45 -6.753 4.045 -0.379 381 2HD1 ILE 45 2HD1 ILE 45 -6.592 3.305 -1.973 382 3HD1 ILE 45 3HD1 ILE 45 -8.177 3.420 -1.210 383 H LYS 46 H LYS 46 -6.536 7.339 1.179 384 HA LYS 46 HA LYS 46 -5.161 9.656 1.927 385 1HB LYS 46 2HB LYS 46 -6.978 11.273 2.141 386 2HB LYS 46 1HB LYS 46 -6.758 10.807 0.460 387 1HG LYS 46 2HG LYS 46 -8.937 10.411 0.387 388 2HG LYS 46 1HG LYS 46 -8.644 9.017 1.429 389 1HD LYS 46 2HD LYS 46 -10.018 10.007 2.888 390 2HD LYS 46 1HD LYS 46 -8.690 11.125 3.202 391 1HE LYS 46 2HE LYS 46 -9.763 12.257 1.002 392 2HE LYS 46 1HE LYS 46 -11.203 11.524 1.708 393 1HZ LYS 46 1HZ LYS 46 -10.448 13.914 2.387 394 2HZ LYS 46 2HZ LYS 46 -9.423 13.082 3.443 395 3HZ LYS 46 3HZ LYS 46 -11.097 12.859 3.541 396 H GLY 47 H GLY 47 -5.589 7.112 3.002 397 1HA GLY 47 2HA GLY 47 -7.479 7.431 5.200 398 2HA GLY 47 1HA GLY 47 -6.555 5.985 4.824 399 H THR 48 H THR 48 -4.699 8.840 4.830 400 HA THR 48 HA THR 48 -3.106 9.674 6.212 401 HB THR 48 HB THR 48 -3.609 9.994 8.461 402 HG1 THR 48 HG1 THR 48 -4.942 8.537 9.634 403 1HG2 THR 48 1HG2 THR 48 -5.912 10.490 8.680 404 2HG2 THR 48 2HG2 THR 48 -6.347 9.335 7.420 405 3HG2 THR 48 3HG2 THR 48 -5.469 10.807 7.002 406 H GLN 49 H GLN 49 -3.295 6.642 5.411 407 HA GLN 49 HA GLN 49 -0.776 5.945 6.624 408 1HB GLN 49 2HB GLN 49 -3.288 4.383 7.221 409 2HB GLN 49 1HB GLN 49 -1.681 3.693 7.389 410 1HG GLN 49 2HG GLN 49 -2.703 6.110 8.862 411 2HG GLN 49 1HG GLN 49 -2.590 4.479 9.517 412 1HE2 GLN 49 1HE2 GLN 49 -0.841 4.034 10.638 413 2HE2 GLN 49 2HE2 GLN 49 0.673 4.859 10.536 414 H SER 50 H SER 50 -1.962 6.410 3.945 415 HA SER 50 HA SER 50 -1.724 5.586 1.837 416 1HB SER 50 2HB SER 50 0.447 4.612 3.159 417 2HB SER 50 1HB SER 50 -0.314 3.112 2.629 418 HG SER 50 HG SER 50 1.168 4.751 1.201 419 H ASN 51 H ASN 51 -2.245 3.594 0.459 420 HA ASN 51 HA ASN 51 -4.650 2.396 1.572 421 1HB ASN 51 2HB ASN 51 -4.907 3.430 -0.590 422 2HB ASN 51 1HB ASN 51 -3.584 2.481 -1.250 423 1HD2 ASN 51 1HD2 ASN 51 -6.691 2.039 0.400 424 2HD2 ASN 51 2HD2 ASN 51 -7.191 0.678 -0.541 425 H HIS 52 H HIS 52 -2.834 0.766 -0.897 426 HA HIS 52 HA HIS 52 -1.742 -1.191 0.930 427 1HB HIS 52 2HB HIS 52 -3.636 -2.227 -1.165 428 2HB HIS 52 1HB HIS 52 -2.993 -3.058 0.247 429 HD1 HIS 52 HD1 HIS 52 -3.964 -2.132 2.615 430 HD2 HIS 52 HD2 HIS 52 -6.103 -1.144 -0.807 431 HE1 HIS 52 HE1 HIS 52 -6.243 -1.442 3.423 432 HE2 HIS 52 HE2 HIS 52 -7.547 -0.934 1.328 433 H VAL 53 H VAL 53 -1.145 -3.226 -0.736 434 HA VAL 53 HA VAL 53 -0.043 -2.222 -3.215 435 HB VAL 53 HB VAL 53 1.682 -1.555 -1.594 436 1HG1 VAL 53 1HG1 VAL 53 2.319 -4.415 -1.035 437 2HG1 VAL 53 2HG1 VAL 53 1.067 -3.606 -0.091 438 3HG1 VAL 53 3HG1 VAL 53 2.712 -2.970 -0.104 439 1HG2 VAL 53 1HG2 VAL 53 3.471 -3.314 -2.655 440 2HG2 VAL 53 2HG2 VAL 53 2.859 -1.879 -3.477 441 3HG2 VAL 53 3HG2 VAL 53 2.124 -3.453 -3.784 442 H LEU 54 H LEU 54 0.187 -3.809 -4.707 443 HA LEU 54 HA LEU 54 0.004 -6.598 -3.783 444 1HB LEU 54 2HB LEU 54 -1.478 -5.361 -6.104 445 2HB LEU 54 1HB LEU 54 -1.442 -7.075 -5.738 446 HG LEU 54 HG LEU 54 -2.397 -5.203 -3.624 447 1HD1 LEU 54 1HD1 LEU 54 -4.351 -6.222 -5.627 448 2HD1 LEU 54 2HD1 LEU 54 -3.462 -4.737 -5.970 449 3HD1 LEU 54 3HD1 LEU 54 -4.473 -4.847 -4.528 450 1HD2 LEU 54 1HD2 LEU 54 -3.267 -7.961 -4.478 451 2HD2 LEU 54 2HD2 LEU 54 -3.791 -7.092 -3.036 452 3HD2 LEU 54 3HD2 LEU 54 -2.113 -7.611 -3.191 453 H PHE 55 H PHE 55 0.993 -8.160 -5.113 454 HA PHE 55 HA PHE 55 3.170 -7.082 -6.716 455 1HB PHE 55 2HB PHE 55 4.302 -9.074 -6.356 456 2HB PHE 55 1HB PHE 55 3.353 -8.933 -4.882 457 HD1 PHE 55 HD1 PHE 55 0.992 -10.117 -4.985 458 HD2 PHE 55 HD2 PHE 55 4.309 -11.071 -7.475 459 HE1 PHE 55 HE1 PHE 55 0.038 -12.348 -5.396 460 HE2 PHE 55 HE2 PHE 55 3.360 -13.303 -7.890 461 HZ PHE 55 HZ PHE 55 1.223 -13.943 -6.850 462 H LEU 56 H LEU 56 3.060 -6.952 -8.849 463 HA LEU 56 HA LEU 56 0.843 -7.821 -10.335 464 1HB LEU 56 2HB LEU 56 3.374 -6.472 -10.857 465 2HB LEU 56 1HB LEU 56 2.872 -7.497 -12.188 466 HG LEU 56 HG LEU 56 2.107 -5.182 -12.468 467 1HD1 LEU 56 1HD1 LEU 56 -0.425 -5.790 -12.577 468 2HD1 LEU 56 2HD1 LEU 56 0.142 -7.406 -12.158 469 3HD1 LEU 56 3HD1 LEU 56 0.728 -6.617 -13.623 470 1HD2 LEU 56 1HD2 LEU 56 1.854 -4.848 -9.946 471 2HD2 LEU 56 2HD2 LEU 56 0.273 -5.606 -10.131 472 3HD2 LEU 56 3HD2 LEU 56 0.640 -4.112 -10.992 473 H SER 57 H SER 57 0.310 -9.836 -10.793 474 HA SER 57 HA SER 57 2.415 -11.853 -11.099 475 1HB SER 57 2HB SER 57 0.760 -13.503 -10.636 476 2HB SER 57 1HB SER 57 0.465 -12.193 -9.494 477 HG SER 57 HG SER 57 -1.292 -13.227 -11.041 478 H SER 58 H SER 58 1.033 -13.729 -12.611 479 HA SER 58 HA SER 58 1.128 -12.455 -15.243 480 1HB SER 58 2HB SER 58 1.634 -15.193 -14.212 481 2HB SER 58 1HB SER 58 0.950 -15.075 -15.833 482 HG SER 58 HG SER 58 3.444 -14.846 -15.231 483 H TYR 59 H TYR 59 -0.947 -11.479 -15.153 484 HA TYR 59 HA TYR 59 -3.306 -13.059 -14.757 485 1HB TYR 59 2HB TYR 59 -4.506 -11.009 -15.476 486 2HB TYR 59 1HB TYR 59 -3.340 -10.701 -14.194 487 HD1 TYR 59 HD1 TYR 59 -1.568 -9.167 -14.505 488 HD2 TYR 59 HD2 TYR 59 -3.916 -10.381 -17.839 489 HE1 TYR 59 HE1 TYR 59 -0.526 -7.408 -15.871 490 HE2 TYR 59 HE2 TYR 59 -2.879 -8.625 -19.215 491 HH TYR 59 HH TYR 59 -0.125 -6.862 -18.177 492 H ASN 60 H ASN 60 -5.082 -12.532 -16.628 493 HA ASN 60 HA ASN 60 -3.997 -13.876 -18.993 494 1HB ASN 60 2HB ASN 60 -6.812 -13.552 -17.946 495 2HB ASN 60 1HB ASN 60 -6.451 -14.244 -19.525 496 1HD2 ASN 60 1HD2 ASN 60 -7.453 -16.173 -18.811 497 2HD2 ASN 60 2HD2 ASN 60 -6.611 -17.281 -17.788 498 H SER 61 H SER 61 -6.597 -11.489 -18.466 499 HA SER 61 HA SER 61 -5.553 -9.992 -20.779 500 1HB SER 61 2HB SER 61 -8.299 -10.940 -20.174 501 2HB SER 61 1HB SER 61 -8.160 -9.314 -20.841 502 HG SER 61 HG SER 61 -7.562 -11.779 -21.999 503 H VAL 62 H VAL 62 -6.919 -7.740 -20.751 504 HA VAL 62 HA VAL 62 -6.216 -6.543 -18.167 505 HB VAL 62 HB VAL 62 -6.225 -4.386 -19.351 506 1HG1 VAL 62 1HG1 VAL 62 -4.363 -5.178 -21.102 507 2HG1 VAL 62 2HG1 VAL 62 -4.481 -6.642 -20.126 508 3HG1 VAL 62 3HG1 VAL 62 -4.078 -5.104 -19.363 509 1HG2 VAL 62 1HG2 VAL 62 -6.149 -5.080 -22.042 510 2HG2 VAL 62 2HG2 VAL 62 -7.438 -4.211 -21.211 511 3HG2 VAL 62 3HG2 VAL 62 -7.533 -5.961 -21.397 512 H ASP 63 H ASP 63 -8.685 -7.999 -18.510 513 HA ASP 63 HA ASP 63 -10.663 -5.826 -18.349 514 1HB ASP 63 2HB ASP 63 -10.954 -7.737 -20.039 515 2HB ASP 63 1HB ASP 63 -11.318 -8.751 -18.645 516 H GLU 64 H GLU 64 -9.912 -8.982 -16.868 517 HA GLU 64 HA GLU 64 -11.523 -8.472 -14.565 518 1HB GLU 64 2HB GLU 64 -10.590 -10.547 -13.691 519 2HB GLU 64 1HB GLU 64 -11.078 -10.753 -15.368 520 1HG GLU 64 2HG GLU 64 -8.665 -10.328 -15.986 521 2HG GLU 64 1HG GLU 64 -8.298 -10.481 -14.268 522 H ILE 65 H ILE 65 -8.140 -8.073 -15.378 523 HA ILE 65 HA ILE 65 -7.276 -7.558 -12.697 524 HB ILE 65 HB ILE 65 -5.726 -8.398 -14.411 525 1HG1 ILE 65 2HG1 ILE 65 -4.168 -6.101 -14.037 526 2HG1 ILE 65 1HG1 ILE 65 -5.269 -6.130 -12.664 527 1HG2 ILE 65 1HG2 ILE 65 -5.173 -7.304 -16.335 528 2HG2 ILE 65 2HG2 ILE 65 -5.510 -5.711 -15.660 529 3HG2 ILE 65 3HG2 ILE 65 -6.840 -6.758 -16.154 530 1HD1 ILE 65 1HD1 ILE 65 -3.713 -7.446 -11.750 531 2HD1 ILE 65 2HD1 ILE 65 -3.010 -7.871 -13.310 532 3HD1 ILE 65 3HD1 ILE 65 -4.449 -8.711 -12.734 533 H ARG 66 H ARG 66 -8.465 -5.629 -15.358 534 HA ARG 66 HA ARG 66 -7.626 -3.100 -14.420 535 1HB ARG 66 2HB ARG 66 -8.759 -3.963 -16.710 536 2HB ARG 66 1HB ARG 66 -10.170 -3.264 -15.930 537 1HG ARG 66 2HG ARG 66 -9.241 -1.123 -15.900 538 2HG ARG 66 1HG ARG 66 -7.608 -1.730 -16.182 539 1HD ARG 66 2HD ARG 66 -7.999 -1.129 -18.311 540 2HD ARG 66 1HD ARG 66 -8.891 -2.649 -18.387 541 HE ARG 66 HE ARG 66 -10.475 -0.417 -17.507 542 1HH1 ARG 66 2HH1 ARG 66 -9.293 -2.171 -20.282 543 2HH1 ARG 66 1HH1 ARG 66 -10.577 -1.645 -21.318 544 1HH2 ARG 66 1HH2 ARG 66 -12.165 0.276 -18.868 545 2HH2 ARG 66 2HH2 ARG 66 -12.208 -0.256 -20.516 546 H LYS 67 H LYS 67 -10.881 -4.565 -14.323 547 HA LYS 67 HA LYS 67 -12.015 -2.650 -12.627 548 1HB LYS 67 2HB LYS 67 -13.782 -4.325 -12.222 549 2HB LYS 67 1HB LYS 67 -13.386 -4.175 -13.929 550 1HG LYS 67 2HG LYS 67 -12.283 -6.235 -13.975 551 2HG LYS 67 1HG LYS 67 -12.149 -6.301 -12.217 552 1HD LYS 67 2HD LYS 67 -13.876 -7.782 -12.615 553 2HD LYS 67 1HD LYS 67 -14.754 -6.286 -12.293 554 1HE LYS 67 2HE LYS 67 -15.187 -5.928 -14.580 555 2HE LYS 67 1HE LYS 67 -13.991 -7.125 -15.076 556 1HZ LYS 67 1HZ LYS 67 -15.477 -8.785 -13.881 557 2HZ LYS 67 2HZ LYS 67 -16.038 -8.172 -15.355 558 3HZ LYS 67 3HZ LYS 67 -16.664 -7.579 -13.900 559 H GLU 68 H GLU 68 -10.104 -5.491 -11.946 560 HA GLU 68 HA GLU 68 -10.726 -5.704 -9.190 561 1HB GLU 68 2HB GLU 68 -8.722 -6.845 -11.037 562 2HB GLU 68 1HB GLU 68 -8.239 -6.780 -9.347 563 1HG GLU 68 2HG GLU 68 -10.851 -7.967 -10.218 564 2HG GLU 68 1HG GLU 68 -9.360 -8.904 -10.156 565 H LEU 69 H LEU 69 -7.865 -4.353 -10.839 566 HA LEU 69 HA LEU 69 -6.706 -3.291 -8.493 567 1HB LEU 69 2HB LEU 69 -5.904 -3.620 -11.090 568 2HB LEU 69 1HB LEU 69 -6.096 -1.880 -10.994 569 HG LEU 69 HG LEU 69 -4.577 -1.879 -9.010 570 1HD1 LEU 69 1HD1 LEU 69 -4.942 -4.222 -8.355 571 2HD1 LEU 69 2HD1 LEU 69 -3.232 -3.835 -8.548 572 3HD1 LEU 69 3HD1 LEU 69 -4.078 -4.744 -9.801 573 1HD2 LEU 69 1HD2 LEU 69 -3.926 -1.605 -11.514 574 2HD2 LEU 69 2HD2 LEU 69 -3.145 -3.171 -11.291 575 3HD2 LEU 69 3HD2 LEU 69 -2.663 -1.796 -10.298 576 H GLU 70 H GLU 70 -8.533 -1.701 -11.111 577 HA GLU 70 HA GLU 70 -8.539 0.876 -10.099 578 1HB GLU 70 2HB GLU 70 -9.394 0.154 -12.344 579 2HB GLU 70 1HB GLU 70 -10.846 -0.435 -11.545 580 1HG GLU 70 2HG GLU 70 -11.686 1.633 -11.246 581 2HG GLU 70 1HG GLU 70 -10.102 2.359 -10.979 582 H GLU 71 H GLU 71 -10.766 -1.790 -9.421 583 HA GLU 71 HA GLU 71 -12.487 -0.322 -7.724 584 1HB GLU 71 2HB GLU 71 -13.159 -2.440 -8.759 585 2HB GLU 71 1HB GLU 71 -11.944 -3.296 -7.818 586 1HG GLU 71 2HG GLU 71 -13.229 -3.363 -5.992 587 2HG GLU 71 1HG GLU 71 -13.793 -1.706 -6.208 588 H ALA 72 H ALA 72 -9.561 -2.197 -7.175 589 HA ALA 72 HA ALA 72 -9.730 -1.894 -4.300 590 1HB ALA 72 1HB ALA 72 -8.228 -3.547 -4.200 591 2HB ALA 72 2HB ALA 72 -7.170 -2.785 -5.389 592 3HB ALA 72 3HB ALA 72 -8.547 -3.749 -5.922 593 H GLY 73 H GLY 73 -9.041 0.249 -6.635 594 1HA GLY 73 2HA GLY 73 -6.673 1.413 -5.392 595 2HA GLY 73 1HA GLY 73 -7.444 1.958 -6.874 596 H ALA 74 H ALA 74 -9.880 2.654 -6.363 597 HA ALA 74 HA ALA 74 -9.815 4.357 -3.961 598 1HB ALA 74 1HB ALA 74 -9.446 5.372 -6.424 599 2HB ALA 74 2HB ALA 74 -10.201 6.260 -5.101 600 3HB ALA 74 3HB ALA 74 -11.204 5.460 -6.312 601 H LYS 75 H LYS 75 -11.430 1.916 -5.498 602 HA LYS 75 HA LYS 75 -14.080 2.811 -4.625 603 1HB LYS 75 2HB LYS 75 -13.423 0.301 -6.162 604 2HB LYS 75 1HB LYS 75 -14.997 1.057 -5.966 605 1HG LYS 75 2HG LYS 75 -12.902 2.714 -7.219 606 2HG LYS 75 1HG LYS 75 -13.490 1.338 -8.156 607 1HD LYS 75 2HD LYS 75 -15.515 3.064 -6.844 608 2HD LYS 75 1HD LYS 75 -14.661 3.730 -8.236 609 1HE LYS 75 2HE LYS 75 -15.807 2.457 -9.663 610 2HE LYS 75 1HE LYS 75 -15.526 1.004 -8.704 611 1HZ LYS 75 1HZ LYS 75 -17.504 1.195 -7.675 612 2HZ LYS 75 2HZ LYS 75 -17.923 2.091 -9.047 613 3HZ LYS 75 3HZ LYS 75 -17.461 2.886 -7.628 614 H ILE 76 H ILE 76 -15.349 0.483 -4.089 615 HA ILE 76 HA ILE 76 -14.377 -0.131 -1.461 616 HB ILE 76 HB ILE 76 -16.363 -1.550 -1.260 617 1HG1 ILE 76 2HG1 ILE 76 -17.300 -0.760 -3.982 618 2HG1 ILE 76 1HG1 ILE 76 -16.168 -2.103 -3.855 619 1HG2 ILE 76 1HG2 ILE 76 -17.766 0.196 -0.991 620 2HG2 ILE 76 2HG2 ILE 76 -17.494 0.808 -2.622 621 3HG2 ILE 76 3HG2 ILE 76 -16.313 1.128 -1.351 622 1HD1 ILE 76 1HD1 ILE 76 -18.019 -2.724 -1.947 623 2HD1 ILE 76 2HD1 ILE 76 -17.989 -3.356 -3.593 624 3HD1 ILE 76 3HD1 ILE 76 -19.002 -1.967 -3.201 625 H ASN 77 H ASN 77 -15.046 -2.811 -1.147 626 HA ASN 77 HA ASN 77 -14.349 -4.961 -1.475 627 1HB ASN 77 2HB ASN 77 -14.566 -4.343 -3.971 628 2HB ASN 77 1HB ASN 77 -12.819 -4.127 -3.931 629 1HD2 ASN 77 1HD2 ASN 77 -15.135 -6.494 -2.643 630 2HD2 ASN 77 2HD2 ASN 77 -14.296 -7.885 -3.231 631 H HIS 78 H HIS 78 -13.110 -4.775 0.394 632 HA HIS 78 HA HIS 78 -10.384 -5.343 0.145 633 1HB HIS 78 2HB HIS 78 -10.997 -2.526 0.148 634 2HB HIS 78 1HB HIS 78 -10.072 -2.940 1.588 635 HD1 HIS 78 HD1 HIS 78 -9.604 -1.958 -1.805 636 HD2 HIS 78 HD2 HIS 78 -7.639 -4.541 0.788 637 HE1 HIS 78 HE1 HIS 78 -7.316 -2.288 -2.792 638 HE2 HIS 78 HE2 HIS 78 -6.172 -3.919 -1.249 639 H THR 79 H THR 79 -9.275 -4.840 2.462 640 HA THR 79 HA THR 79 -9.215 -5.421 4.660 641 HB THR 79 HB THR 79 -12.087 -4.968 5.157 642 HG1 THR 79 HG1 THR 79 -10.436 -2.981 4.010 643 1HG2 THR 79 1HG2 THR 79 -9.931 -4.953 6.743 644 2HG2 THR 79 2HG2 THR 79 -11.406 -4.049 7.088 645 3HG2 THR 79 3HG2 THR 79 -10.027 -3.237 6.346 646 H THR 80 H THR 80 -10.312 -6.876 6.348 647 HA THR 80 HA THR 80 -11.297 -8.836 6.988 648 HB THR 80 HB THR 80 -12.962 -9.884 5.765 649 HG1 THR 80 HG1 THR 80 -13.054 -9.793 3.474 650 1HG2 THR 80 1HG2 THR 80 -13.324 -7.506 4.106 651 2HG2 THR 80 2HG2 THR 80 -13.113 -7.179 5.826 652 3HG2 THR 80 3HG2 THR 80 -14.403 -8.253 5.285 653 H LEU 81 H LEU 81 -9.195 -8.582 4.262 654 HA LEU 81 HA LEU 81 -7.495 -9.880 3.506 655 1HB LEU 81 2HB LEU 81 -7.857 -11.239 6.176 656 2HB LEU 81 1HB LEU 81 -6.495 -11.490 5.101 657 HG LEU 81 HG LEU 81 -7.170 -8.769 6.194 658 1HD1 LEU 81 1HD1 LEU 81 -6.744 -9.693 8.212 659 2HD1 LEU 81 2HD1 LEU 81 -5.072 -9.499 7.687 660 3HD1 LEU 81 3HD1 LEU 81 -5.871 -11.063 7.526 661 1HD2 LEU 81 1HD2 LEU 81 -4.416 -9.626 5.574 662 2HD2 LEU 81 2HD2 LEU 81 -5.220 -8.084 5.284 663 3HD2 LEU 81 3HD2 LEU 81 -5.505 -9.445 4.199 664 H LYS 82 H LYS 82 -10.445 -10.748 3.293 665 HA LYS 82 HA LYS 82 -10.255 -13.615 3.045 666 1HB LYS 82 2HB LYS 82 -12.339 -11.937 3.517 667 2HB LYS 82 1HB LYS 82 -12.540 -12.223 1.794 668 1HG LYS 82 2HG LYS 82 -12.206 -14.742 2.567 669 2HG LYS 82 1HG LYS 82 -12.838 -14.083 4.077 670 1HD LYS 82 2HD LYS 82 -14.804 -13.254 2.930 671 2HD LYS 82 1HD LYS 82 -14.158 -13.795 1.379 672 1HE LYS 82 2HE LYS 82 -14.547 -15.736 3.625 673 2HE LYS 82 1HE LYS 82 -15.908 -15.260 2.609 674 1HZ LYS 82 1HZ LYS 82 -13.491 -16.059 1.209 675 2HZ LYS 82 2HZ LYS 82 -15.109 -16.397 0.856 676 3HZ LYS 82 3HZ LYS 82 -14.299 -17.291 2.041 677 H ILE 83 H ILE 83 -10.770 -10.903 0.791 678 HA ILE 83 HA ILE 83 -10.689 -12.409 -1.567 679 HB ILE 83 HB ILE 83 -10.007 -10.258 -2.678 680 1HG1 ILE 83 2HG1 ILE 83 -10.282 -9.099 0.100 681 2HG1 ILE 83 1HG1 ILE 83 -8.732 -9.413 -0.675 682 1HG2 ILE 83 1HG2 ILE 83 -12.126 -9.166 -2.299 683 2HG2 ILE 83 2HG2 ILE 83 -12.336 -10.033 -0.778 684 3HG2 ILE 83 3HG2 ILE 83 -12.358 -10.914 -2.305 685 1HD1 ILE 83 1HD1 ILE 83 -10.824 -7.404 -1.408 686 2HD1 ILE 83 2HD1 ILE 83 -9.591 -7.914 -2.561 687 3HD1 ILE 83 3HD1 ILE 83 -9.117 -7.152 -1.043 688 H LEU 84 H LEU 84 -8.135 -11.059 0.419 689 HA LEU 84 HA LEU 84 -6.025 -11.528 -1.438 690 1HB LEU 84 2HB LEU 84 -6.256 -10.731 1.403 691 2HB LEU 84 1HB LEU 84 -4.754 -11.511 0.945 692 HG LEU 84 HG LEU 84 -4.904 -9.696 -1.026 693 1HD1 LEU 84 1HD1 LEU 84 -5.558 -7.556 0.378 694 2HD1 LEU 84 2HD1 LEU 84 -6.634 -8.704 1.174 695 3HD1 LEU 84 3HD1 LEU 84 -6.752 -8.446 -0.567 696 1HD2 LEU 84 1HD2 LEU 84 -3.313 -8.390 0.210 697 2HD2 LEU 84 2HD2 LEU 84 -3.050 -10.095 0.579 698 3HD2 LEU 84 3HD2 LEU 84 -3.884 -9.059 1.737 699 H GLU 85 H GLU 85 -7.562 -13.387 1.104 700 HA GLU 85 HA GLU 85 -5.627 -15.489 1.131 701 1HB GLU 85 2HB GLU 85 -7.174 -14.980 3.024 702 2HB GLU 85 1HB GLU 85 -8.508 -15.571 2.044 703 1HG GLU 85 2HG GLU 85 -7.854 -17.296 3.551 704 2HG GLU 85 1HG GLU 85 -7.375 -17.772 1.922 705 H GLY 86 H GLY 86 -8.508 -14.781 -0.713 706 1HA GLY 86 2HA GLY 86 -8.521 -17.457 -1.897 707 2HA GLY 86 1HA GLY 86 -9.724 -16.201 -2.154 708 H HIS 87 H HIS 87 -7.540 -14.208 -2.654 709 HA HIS 87 HA HIS 87 -7.080 -14.953 -5.455 710 1HB HIS 87 2HB HIS 87 -8.289 -12.854 -5.096 711 2HB HIS 87 1HB HIS 87 -6.968 -12.246 -4.104 712 HD1 HIS 87 HD1 HIS 87 -7.111 -13.743 -7.610 713 HD2 HIS 87 HD2 HIS 87 -5.563 -10.474 -5.566 714 HE1 HIS 87 HE1 HIS 87 -5.850 -12.411 -9.330 715 HE2 HIS 87 HE2 HIS 87 -4.842 -10.489 -8.050 716 H LEU 88 HN LEU 88 -5.382 -13.248 -2.821 717 HA LEU 88 HA LEU 88 -2.834 -13.508 -4.077 718 1HB LEU 88 2HB LEU 88 -3.897 -12.016 -1.982 719 2HB LEU 88 1HB LEU 88 -2.732 -13.071 -1.208 720 HG LEU 88 HG LEU 88 -1.705 -10.948 -1.783 721 1HD1 LEU 88 1HD1 LEU 88 0.055 -11.910 -3.452 722 2HD1 LEU 88 2HD1 LEU 88 -0.819 -13.420 -3.194 723 3HD1 LEU 88 3HD1 LEU 88 -0.087 -12.581 -1.828 724 1HD2 LEU 88 1HD2 LEU 88 -2.485 -11.623 -4.617 725 2HD2 LEU 88 2HD2 LEU 88 -1.431 -10.292 -4.139 726 3HD2 LEU 88 3HD2 LEU 88 -3.122 -10.302 -3.638 Start of MODEL 6 1 1H LEU 1 1H LEU 1 -11.064 20.737 -4.555 2 2H LEU 1 2H LEU 1 -11.139 19.984 -3.015 3 3H LEU 1 3H LEU 1 -11.886 21.510 -3.264 4 HA LEU 1 HA LEU 1 -13.370 19.537 -3.199 5 1HB LEU 1 2HB LEU 1 -13.645 21.904 -4.284 6 2HB LEU 1 1HB LEU 1 -13.538 21.022 -5.796 7 HG LEU 1 HG LEU 1 -15.867 21.465 -5.060 8 1HD1 LEU 1 1HD1 LEU 1 -15.282 18.518 -5.034 9 2HD1 LEU 1 2HD1 LEU 1 -15.155 19.504 -6.490 10 3HD1 LEU 1 3HD1 LEU 1 -16.705 19.346 -5.665 11 1HD2 LEU 1 1HD2 LEU 1 -16.755 20.700 -3.104 12 2HD2 LEU 1 2HD2 LEU 1 -15.096 20.981 -2.577 13 3HD2 LEU 1 3HD2 LEU 1 -15.625 19.351 -2.988 14 H PHE 2 H PHE 2 -11.624 17.778 -3.610 15 HA PHE 2 HA PHE 2 -12.518 16.109 -5.660 16 1HB PHE 2 2HB PHE 2 -10.244 16.121 -6.952 17 2HB PHE 2 1HB PHE 2 -11.482 17.306 -7.356 18 HD1 PHE 2 HD1 PHE 2 -8.904 17.135 -4.660 19 HD2 PHE 2 HD2 PHE 2 -10.500 19.283 -7.969 20 HE1 PHE 2 HE1 PHE 2 -7.296 18.950 -4.252 21 HE2 PHE 2 HE2 PHE 2 -8.893 21.102 -7.568 22 HZ PHE 2 HZ PHE 2 -7.289 20.937 -5.707 23 H ILE 3 H ILE 3 -10.887 14.227 -6.022 24 HA ILE 3 HA ILE 3 -9.705 13.614 -3.397 25 HB ILE 3 HB ILE 3 -10.510 11.640 -5.531 26 1HG1 ILE 3 2HG1 ILE 3 -12.462 12.906 -4.684 27 2HG1 ILE 3 1HG1 ILE 3 -12.510 11.209 -4.211 28 1HG2 ILE 3 1HG2 ILE 3 -10.454 10.075 -3.550 29 2HG2 ILE 3 2HG2 ILE 3 -9.646 11.368 -2.665 30 3HG2 ILE 3 3HG2 ILE 3 -8.892 10.678 -4.101 31 1HD1 ILE 3 1HD1 ILE 3 -11.175 12.598 -2.157 32 2HD1 ILE 3 2HD1 ILE 3 -12.765 11.838 -2.110 33 3HD1 ILE 3 3HD1 ILE 3 -12.611 13.532 -2.574 34 H ALA 4 H ALA 4 -7.591 13.157 -3.215 35 HA ALA 4 HA ALA 4 -5.932 13.439 -5.587 36 1HB ALA 4 1HB ALA 4 -5.554 14.566 -3.288 37 2HB ALA 4 2HB ALA 4 -4.169 13.927 -4.173 38 3HB ALA 4 3HB ALA 4 -4.856 13.013 -2.831 39 H THR 5 H THR 5 -7.189 11.187 -5.976 40 HA THR 5 HA THR 5 -6.008 8.879 -4.798 41 HB THR 5 HB THR 5 -7.045 7.898 -7.075 42 HG1 THR 5 HG1 THR 5 -8.545 9.181 -7.925 43 1HG2 THR 5 1HG2 THR 5 -9.003 8.857 -5.041 44 2HG2 THR 5 2HG2 THR 5 -7.811 7.627 -4.622 45 3HG2 THR 5 3HG2 THR 5 -8.958 7.334 -5.928 46 H LEU 6 H LEU 6 -3.879 8.544 -5.033 47 HA LEU 6 HA LEU 6 -2.621 9.072 -7.619 48 1HB LEU 6 2HB LEU 6 -1.753 9.112 -4.860 49 2HB LEU 6 1HB LEU 6 -0.682 8.127 -5.836 50 HG LEU 6 HG LEU 6 0.198 10.351 -5.767 51 1HD1 LEU 6 1HD1 LEU 6 -1.004 10.478 -8.456 52 2HD1 LEU 6 2HD1 LEU 6 -0.175 8.978 -8.044 53 3HD1 LEU 6 3HD1 LEU 6 0.689 10.514 -7.963 54 1HD2 LEU 6 1HD2 LEU 6 -2.362 11.387 -6.957 55 2HD2 LEU 6 2HD2 LEU 6 -1.003 12.306 -6.309 56 3HD2 LEU 6 3HD2 LEU 6 -2.047 11.391 -5.221 57 H LYS 7 H LYS 7 -2.252 7.505 -9.023 58 HA LYS 7 HA LYS 7 -2.142 4.727 -8.043 59 1HB LYS 7 2HB LYS 7 -4.156 5.514 -9.494 60 2HB LYS 7 1HB LYS 7 -3.011 5.427 -10.824 61 1HG LYS 7 2HG LYS 7 -3.201 3.221 -10.948 62 2HG LYS 7 1HG LYS 7 -2.919 3.033 -9.216 63 1HD LYS 7 2HD LYS 7 -5.100 2.771 -8.785 64 2HD LYS 7 1HD LYS 7 -5.554 4.120 -9.828 65 1HE LYS 7 2HE LYS 7 -4.811 2.268 -11.664 66 2HE LYS 7 1HE LYS 7 -5.456 1.234 -10.391 67 1HZ LYS 7 1HZ LYS 7 -7.123 1.937 -12.056 68 2HZ LYS 7 2HZ LYS 7 -6.916 3.540 -11.558 69 3HZ LYS 7 3HZ LYS 7 -7.527 2.392 -10.477 70 H GLY 8 H GLY 8 0.026 4.453 -7.943 71 1HA GLY 8 2HA GLY 8 1.533 4.892 -10.449 72 2HA GLY 8 1HA GLY 8 2.241 5.075 -8.852 73 H ILE 9 H ILE 9 2.207 3.123 -11.434 74 HA ILE 9 HA ILE 9 2.362 0.630 -9.899 75 HB ILE 9 HB ILE 9 0.946 0.740 -11.981 76 1HG1 ILE 9 2HG1 ILE 9 2.812 -1.347 -12.737 77 2HG1 ILE 9 1HG1 ILE 9 2.594 -1.293 -10.990 78 1HG2 ILE 9 1HG2 ILE 9 1.890 0.828 -14.120 79 2HG2 ILE 9 2HG2 ILE 9 3.524 0.580 -13.507 80 3HG2 ILE 9 3HG2 ILE 9 2.700 2.114 -13.225 81 1HD1 ILE 9 1HD1 ILE 9 0.376 -1.855 -11.116 82 2HD1 ILE 9 2HD1 ILE 9 1.043 -2.762 -12.473 83 3HD1 ILE 9 3HD1 ILE 9 0.200 -1.239 -12.759 84 H PHE 10 H PHE 10 4.285 -0.042 -9.251 85 HA PHE 10 HA PHE 10 6.707 1.163 -10.141 86 1HB PHE 10 2HB PHE 10 6.004 -1.045 -8.249 87 2HB PHE 10 1HB PHE 10 7.678 -0.850 -8.758 88 HD1 PHE 10 HD1 PHE 10 4.926 1.461 -7.740 89 HD2 PHE 10 HD2 PHE 10 8.961 0.222 -7.202 90 HE1 PHE 10 HE1 PHE 10 5.230 3.209 -6.036 91 HE2 PHE 10 HE2 PHE 10 9.273 1.967 -5.497 92 HZ PHE 10 HZ PHE 10 7.407 3.463 -4.910 93 H THR 11 H THR 11 8.445 0.215 -11.249 94 HA THR 11 HA THR 11 7.769 -2.169 -12.838 95 HB THR 11 HB THR 11 9.494 -0.858 -14.469 96 HG1 THR 11 HG1 THR 11 7.862 1.159 -13.334 97 1HG2 THR 11 1HG2 THR 11 7.195 0.213 -15.378 98 2HG2 THR 11 2HG2 THR 11 6.573 -1.093 -14.368 99 3HG2 THR 11 3HG2 THR 11 7.705 -1.450 -15.674 100 H LEU 12 H LEU 12 9.110 -3.770 -12.745 101 HA LEU 12 HA LEU 12 10.877 -5.029 -12.078 102 1HB LEU 12 2HB LEU 12 12.717 -2.769 -12.717 103 2HB LEU 12 1HB LEU 12 12.907 -4.481 -13.040 104 HG LEU 12 HG LEU 12 10.705 -3.726 -14.581 105 1HD1 LEU 12 1HD1 LEU 12 12.903 -1.704 -14.959 106 2HD1 LEU 12 2HD1 LEU 12 11.390 -1.366 -14.119 107 3HD1 LEU 12 3HD1 LEU 12 11.371 -1.808 -15.826 108 1HD2 LEU 12 1HD2 LEU 12 11.937 -4.580 -16.297 109 2HD2 LEU 12 2HD2 LEU 12 12.879 -5.199 -14.941 110 3HD2 LEU 12 3HD2 LEU 12 13.412 -3.753 -15.798 111 H LYS 13 H LYS 13 13.239 -4.532 -10.938 112 HA LYS 13 HA LYS 13 12.474 -3.458 -8.323 113 1HB LYS 13 2HB LYS 13 14.966 -5.048 -8.864 114 2HB LYS 13 1HB LYS 13 14.098 -4.852 -7.350 115 1HG LYS 13 2HG LYS 13 12.595 -6.146 -9.529 116 2HG LYS 13 1HG LYS 13 13.964 -7.051 -8.884 117 1HD LYS 13 2HD LYS 13 13.012 -7.284 -6.817 118 2HD LYS 13 1HD LYS 13 12.074 -5.797 -6.961 119 1HE LYS 13 2HE LYS 13 10.719 -7.899 -7.018 120 2HE LYS 13 1HE LYS 13 10.499 -6.842 -8.412 121 1HZ LYS 13 1HZ LYS 13 12.543 -8.906 -8.638 122 2HZ LYS 13 2HZ LYS 13 11.465 -8.319 -9.801 123 3HZ LYS 13 3HZ LYS 13 10.935 -9.431 -8.643 124 H ASP 14 H ASP 14 14.164 -2.535 -11.051 125 HA ASP 14 HA ASP 14 16.114 -0.942 -9.564 126 1HB ASP 14 2HB ASP 14 17.028 -0.460 -11.875 127 2HB ASP 14 1HB ASP 14 17.124 -2.137 -11.346 128 H LEU 15 H LEU 15 13.128 -0.590 -11.304 129 HA LEU 15 HA LEU 15 13.555 2.308 -11.504 130 1HB LEU 15 2HB LEU 15 12.810 1.151 -13.527 131 2HB LEU 15 1HB LEU 15 11.375 0.598 -12.687 132 HG LEU 15 HG LEU 15 10.549 2.867 -12.493 133 1HD1 LEU 15 1HD1 LEU 15 12.003 4.531 -14.010 134 2HD1 LEU 15 2HD1 LEU 15 13.295 3.527 -13.350 135 3HD1 LEU 15 3HD1 LEU 15 12.202 4.386 -12.264 136 1HD2 LEU 15 1HD2 LEU 15 9.754 2.951 -14.601 137 2HD2 LEU 15 2HD2 LEU 15 10.593 1.408 -14.758 138 3HD2 LEU 15 3HD2 LEU 15 11.361 2.891 -15.325 139 HA PRO 16 HA PRO 16 10.652 2.034 -7.887 140 1HB PRO 16 2HB PRO 16 12.046 3.413 -6.095 141 2HB PRO 16 1HB PRO 16 12.452 1.727 -6.446 142 1HG PRO 16 2HG PRO 16 13.749 4.234 -7.458 143 2HG PRO 16 1HG PRO 16 14.513 2.760 -6.835 144 1HD PRO 16 2HD PRO 16 14.193 3.294 -9.505 145 2HD PRO 16 1HD PRO 16 14.290 1.659 -8.823 146 H GLU 17 H GLU 17 10.275 3.669 -10.053 147 HA GLU 17 HA GLU 17 10.477 6.422 -9.608 148 1HB GLU 17 2HB GLU 17 9.509 4.778 -11.634 149 2HB GLU 17 1HB GLU 17 8.110 5.716 -11.131 150 1HG GLU 17 2HG GLU 17 8.836 7.426 -12.320 151 2HG GLU 17 1HG GLU 17 10.284 7.503 -11.318 152 H GLU 18 H GLU 18 9.860 6.930 -7.526 153 HA GLU 18 HA GLU 18 7.235 7.747 -7.132 154 1HB GLU 18 2HB GLU 18 6.725 5.354 -6.926 155 2HB GLU 18 1HB GLU 18 7.914 5.214 -5.641 156 1HG GLU 18 2HG GLU 18 5.666 5.304 -4.742 157 2HG GLU 18 1HG GLU 18 6.601 6.714 -4.245 158 H PHE 19 H PHE 19 10.055 6.495 -5.484 159 HA PHE 19 HA PHE 19 10.640 8.968 -4.230 160 1HB PHE 19 2HB PHE 19 8.784 8.421 -2.777 161 2HB PHE 19 1HB PHE 19 9.432 6.810 -2.487 162 HD1 PHE 19 HD1 PHE 19 10.922 6.419 -0.736 163 HD2 PHE 19 HD2 PHE 19 10.110 10.416 -1.953 164 HE1 PHE 19 HE1 PHE 19 12.136 7.262 1.232 165 HE2 PHE 19 HE2 PHE 19 11.325 11.265 0.011 166 HZ PHE 19 HZ PHE 19 12.340 9.687 1.607 167 H ARG 20 H ARG 20 10.982 5.685 -2.934 168 HA ARG 20 HA ARG 20 13.732 5.504 -3.824 169 1HB ARG 20 2HB ARG 20 12.948 5.951 -0.966 170 2HB ARG 20 1HB ARG 20 14.355 4.966 -1.330 171 1HG ARG 20 2HG ARG 20 13.920 7.839 -2.118 172 2HG ARG 20 1HG ARG 20 15.031 7.236 -0.888 173 1HD ARG 20 2HD ARG 20 16.609 7.001 -2.432 174 2HD ARG 20 1HD ARG 20 15.588 5.862 -3.306 175 HE ARG 20 HE ARG 20 14.949 8.621 -3.808 176 1HH1 ARG 20 2HH1 ARG 20 16.948 5.922 -4.758 177 2HH1 ARG 20 1HH1 ARG 20 17.214 6.523 -6.360 178 1HH2 ARG 20 1HH2 ARG 20 15.301 9.412 -5.915 179 2HH2 ARG 20 2HH2 ARG 20 16.281 8.502 -7.016 180 HA PRO 21 HA PRO 21 12.957 1.171 -3.800 181 1HB PRO 21 2HB PRO 21 15.199 0.081 -2.673 182 2HB PRO 21 1HB PRO 21 15.134 0.707 -4.324 183 1HG PRO 21 2HG PRO 21 16.174 2.012 -1.840 184 2HG PRO 21 1HG PRO 21 16.858 2.010 -3.477 185 1HD PRO 21 2HD PRO 21 15.487 4.112 -2.502 186 2HD PRO 21 1HD PRO 21 15.418 3.659 -4.217 187 H PHE 22 H PHE 22 11.341 1.904 -2.000 188 HA PHE 22 HA PHE 22 11.969 1.016 0.667 189 1HB PHE 22 2HB PHE 22 10.449 2.899 0.347 190 2HB PHE 22 1HB PHE 22 9.352 1.885 -0.582 191 HD1 PHE 22 HD1 PHE 22 7.579 0.865 0.483 192 HD2 PHE 22 HD2 PHE 22 10.939 2.111 2.778 193 HE1 PHE 22 HE1 PHE 22 6.387 0.262 2.549 194 HE2 PHE 22 HE2 PHE 22 9.753 1.511 4.849 195 HZ PHE 22 HZ PHE 22 7.474 0.584 4.735 196 H VAL 23 H VAL 23 9.365 0.051 -1.574 197 HA VAL 23 HA VAL 23 8.688 -2.329 -0.315 198 HB VAL 23 HB VAL 23 7.324 -1.281 -2.076 199 1HG1 VAL 23 1HG1 VAL 23 9.532 -2.237 -3.885 200 2HG1 VAL 23 2HG1 VAL 23 8.947 -0.589 -3.664 201 3HG1 VAL 23 3HG1 VAL 23 7.928 -1.786 -4.463 202 1HG2 VAL 23 1HG2 VAL 23 7.985 -4.050 -3.009 203 2HG2 VAL 23 2HG2 VAL 23 6.414 -3.258 -2.898 204 3HG2 VAL 23 3HG2 VAL 23 7.247 -3.774 -1.432 205 H ASP 24 H ASP 24 11.504 -1.608 -2.122 206 HA ASP 24 HA ASP 24 12.244 -3.915 -3.361 207 1HB ASP 24 2HB ASP 24 13.717 -1.756 -1.965 208 2HB ASP 24 1HB ASP 24 14.618 -3.240 -2.263 209 H TYR 25 H TYR 25 11.999 -3.373 0.086 210 HA TYR 25 HA TYR 25 13.552 -5.554 0.950 211 1HB TYR 25 2HB TYR 25 12.445 -5.324 3.092 212 2HB TYR 25 1HB TYR 25 12.801 -3.727 2.448 213 HD1 TYR 25 HD1 TYR 25 10.015 -6.226 2.545 214 HD2 TYR 25 HD2 TYR 25 11.144 -2.124 2.507 215 HE1 TYR 25 HE1 TYR 25 7.664 -5.582 2.857 216 HE2 TYR 25 HE2 TYR 25 8.795 -1.469 2.815 217 HH TYR 25 HH TYR 25 6.683 -2.621 3.843 218 H LYS 26 H LYS 26 10.221 -5.317 -0.137 219 HA LYS 26 HA LYS 26 9.440 -7.910 0.719 220 1HB LYS 26 2HB LYS 26 7.424 -7.454 -0.247 221 2HB LYS 26 1HB LYS 26 8.049 -5.815 -0.186 222 1HG LYS 26 2HG LYS 26 7.352 -5.838 -2.336 223 2HG LYS 26 1HG LYS 26 8.971 -6.494 -2.587 224 1HD LYS 26 2HD LYS 26 8.175 -8.679 -2.821 225 2HD LYS 26 1HD LYS 26 6.630 -8.294 -2.060 226 1HE LYS 26 2HE LYS 26 7.572 -7.321 -4.756 227 2HE LYS 26 1HE LYS 26 6.385 -8.595 -4.473 228 1HZ LYS 26 1HZ LYS 26 6.106 -5.700 -4.203 229 2HZ LYS 26 2HZ LYS 26 5.256 -6.661 -3.101 230 3HZ LYS 26 3HZ LYS 26 4.995 -6.847 -4.761 231 H ALA 27 H ALA 27 11.125 -6.686 -2.068 232 HA ALA 27 HA ALA 27 10.867 -9.046 -3.659 233 1HB ALA 27 1HB ALA 27 12.766 -6.712 -3.826 234 2HB ALA 27 2HB ALA 27 11.294 -6.965 -4.763 235 3HB ALA 27 3HB ALA 27 12.689 -8.014 -5.011 236 H GLY 28 H GLY 28 12.820 -8.144 -0.993 237 1HA GLY 28 2HA GLY 28 14.422 -10.589 -1.368 238 2HA GLY 28 1HA GLY 28 15.198 -9.082 -0.901 239 H LEU 29 H LEU 29 12.032 -9.967 0.263 240 HA LEU 29 HA LEU 29 12.469 -9.468 2.903 241 1HB LEU 29 2HB LEU 29 10.262 -9.860 1.923 242 2HB LEU 29 1HB LEU 29 10.635 -11.565 1.762 243 HG LEU 29 HG LEU 29 10.891 -11.610 4.295 244 1HD1 LEU 29 1HD1 LEU 29 10.843 -8.937 4.158 245 2HD1 LEU 29 2HD1 LEU 29 10.338 -9.840 5.586 246 3HD1 LEU 29 3HD1 LEU 29 9.131 -9.244 4.447 247 1HD2 LEU 29 1HD2 LEU 29 8.953 -12.519 3.069 248 2HD2 LEU 29 2HD2 LEU 29 8.169 -10.943 3.185 249 3HD2 LEU 29 3HD2 LEU 29 8.515 -11.866 4.648 250 H GLU 30 H GLU 30 13.381 -12.312 1.157 251 HA GLU 30 HA GLU 30 15.292 -13.167 2.946 252 1HB GLU 30 2HB GLU 30 12.601 -13.911 3.770 253 2HB GLU 30 1HB GLU 30 13.643 -15.312 3.577 254 1HG GLU 30 2HG GLU 30 14.910 -13.119 5.018 255 2HG GLU 30 1HG GLU 30 13.462 -13.740 5.807 256 H LYS 31 H LYS 31 16.376 -13.682 1.080 257 HA LYS 31 HA LYS 31 17.132 -14.987 -0.614 258 1HB LYS 31 2HB LYS 31 16.860 -16.726 1.189 259 2HB LYS 31 1HB LYS 31 15.300 -17.119 0.482 260 1HG LYS 31 2HG LYS 31 16.345 -18.563 -0.832 261 2HG LYS 31 1HG LYS 31 17.099 -17.191 -1.648 262 1HD LYS 31 2HD LYS 31 18.867 -18.620 -0.990 263 2HD LYS 31 1HD LYS 31 18.881 -17.270 0.145 264 1HE LYS 31 2HE LYS 31 17.160 -19.386 1.085 265 2HE LYS 31 1HE LYS 31 18.780 -19.995 0.752 266 1HZ LYS 31 1HZ LYS 31 19.367 -17.763 2.060 267 2HZ LYS 31 2HZ LYS 31 19.148 -19.253 2.830 268 3HZ LYS 31 3HZ LYS 31 17.885 -18.129 2.790 269 H LYS 32 H LYS 32 15.131 -13.269 -1.323 270 HA LYS 32 HA LYS 32 13.344 -14.817 -3.062 271 1HB LYS 32 2HB LYS 32 13.248 -12.096 -1.871 272 2HB LYS 32 1HB LYS 32 12.515 -12.300 -3.456 273 1HG LYS 32 2HG LYS 32 11.311 -14.318 -2.361 274 2HG LYS 32 1HG LYS 32 11.743 -13.522 -0.846 275 1HD LYS 32 2HD LYS 32 9.628 -12.669 -1.314 276 2HD LYS 32 1HD LYS 32 10.714 -11.416 -1.919 277 1HE LYS 32 2HE LYS 32 10.412 -13.108 -4.079 278 2HE LYS 32 1HE LYS 32 8.808 -13.085 -3.348 279 1HZ LYS 32 1HZ LYS 32 9.147 -10.553 -3.327 280 2HZ LYS 32 2HZ LYS 32 8.761 -11.301 -4.793 281 3HZ LYS 32 3HZ LYS 32 10.357 -10.845 -4.473 282 H LYS 33 H LYS 33 13.514 -14.789 -5.238 283 HA LYS 33 HA LYS 33 15.928 -13.764 -6.392 284 1HB LYS 33 2HB LYS 33 13.851 -15.636 -7.129 285 2HB LYS 33 1HB LYS 33 14.227 -14.568 -8.473 286 1HG LYS 33 2HG LYS 33 16.165 -16.304 -6.961 287 2HG LYS 33 1HG LYS 33 15.579 -16.551 -8.607 288 1HD LYS 33 2HD LYS 33 16.552 -14.045 -8.815 289 2HD LYS 33 1HD LYS 33 17.627 -14.695 -7.575 290 1HE LYS 33 2HE LYS 33 17.557 -16.728 -9.403 291 2HE LYS 33 1HE LYS 33 17.458 -15.301 -10.434 292 1HZ LYS 33 1HZ LYS 33 19.538 -14.649 -9.888 293 2HZ LYS 33 2HZ LYS 33 19.750 -16.304 -9.614 294 3HZ LYS 33 3HZ LYS 33 19.459 -15.263 -8.313 295 H LEU 34 H LEU 34 16.140 -11.663 -6.796 296 HA LEU 34 HA LEU 34 13.879 -10.254 -8.056 297 1HB LEU 34 2HB LEU 34 14.815 -8.174 -7.047 298 2HB LEU 34 1HB LEU 34 14.182 -9.324 -5.884 299 HG LEU 34 HG LEU 34 17.056 -9.618 -6.404 300 1HD1 LEU 34 1HD1 LEU 34 16.083 -7.156 -4.966 301 2HD1 LEU 34 2HD1 LEU 34 16.787 -7.160 -6.583 302 3HD1 LEU 34 3HD1 LEU 34 17.756 -7.664 -5.199 303 1HD2 LEU 34 1HD2 LEU 34 17.041 -10.421 -4.314 304 2HD2 LEU 34 2HD2 LEU 34 15.288 -10.435 -4.495 305 3HD2 LEU 34 3HD2 LEU 34 16.080 -9.076 -3.699 306 H SER 35 H SER 35 14.452 -10.435 -10.177 307 HA SER 35 HA SER 35 17.167 -9.652 -10.954 308 1HB SER 35 2HB SER 35 15.909 -10.432 -13.276 309 2HB SER 35 1HB SER 35 16.895 -11.477 -12.253 310 HG SER 35 HG SER 35 14.087 -11.126 -12.020 311 H ASP 36 H ASP 36 14.176 -9.297 -12.817 312 HA ASP 36 HA ASP 36 13.729 -6.585 -12.525 313 1HB ASP 36 2HB ASP 36 14.766 -5.764 -14.709 314 2HB ASP 36 1HB ASP 36 15.873 -6.031 -13.367 315 H ASP 37 H ASP 37 11.653 -7.542 -12.733 316 HA ASP 37 HA ASP 37 10.548 -7.333 -15.334 317 1HB ASP 37 2HB ASP 37 11.700 -9.762 -14.998 318 2HB ASP 37 1HB ASP 37 10.086 -10.093 -14.378 319 H ASP 38 H ASP 38 10.180 -8.631 -12.070 320 HA ASP 38 HA ASP 38 7.381 -8.677 -11.973 321 1HB ASP 38 2HB ASP 38 9.468 -8.361 -9.816 322 2HB ASP 38 1HB ASP 38 7.747 -8.461 -9.457 323 H GLU 39 H GLU 39 5.910 -7.223 -10.928 324 HA GLU 39 HA GLU 39 6.828 -4.436 -10.774 325 1HB GLU 39 2HB GLU 39 4.497 -5.523 -12.331 326 2HB GLU 39 1HB GLU 39 4.520 -3.856 -11.777 327 1HG GLU 39 2HG GLU 39 6.079 -3.231 -13.279 328 2HG GLU 39 1HG GLU 39 6.922 -4.778 -13.213 329 H ILE 40 H ILE 40 5.527 -3.058 -9.435 330 HA ILE 40 HA ILE 40 3.842 -4.540 -7.520 331 HB ILE 40 HB ILE 40 5.396 -2.107 -6.706 332 1HG1 ILE 40 2HG1 ILE 40 7.077 -3.630 -7.590 333 2HG1 ILE 40 1HG1 ILE 40 7.164 -3.613 -5.831 334 1HG2 ILE 40 1HG2 ILE 40 3.601 -2.884 -5.255 335 2HG2 ILE 40 2HG2 ILE 40 5.172 -3.101 -4.484 336 3HG2 ILE 40 3HG2 ILE 40 4.336 -4.486 -5.187 337 1HD1 ILE 40 1HD1 ILE 40 5.449 -5.679 -6.293 338 2HD1 ILE 40 2HD1 ILE 40 7.184 -5.831 -6.013 339 3HD1 ILE 40 3HD1 ILE 40 6.556 -5.798 -7.661 340 H ALA 41 H ALA 41 2.126 -3.361 -6.533 341 HA ALA 41 HA ALA 41 1.266 -1.024 -8.111 342 1HB ALA 41 1HB ALA 41 -0.427 -2.404 -8.652 343 2HB ALA 41 2HB ALA 41 -1.052 -1.950 -7.066 344 3HB ALA 41 3HB ALA 41 -0.154 -3.455 -7.262 345 H ILE 42 H ILE 42 1.437 0.788 -6.987 346 HA ILE 42 HA ILE 42 0.740 0.744 -4.123 347 HB ILE 42 HB ILE 42 2.809 2.488 -5.472 348 1HG1 ILE 42 2HG1 ILE 42 4.331 1.253 -3.827 349 2HG1 ILE 42 1HG1 ILE 42 3.008 0.108 -3.630 350 1HG2 ILE 42 1HG2 ILE 42 3.190 2.770 -2.789 351 2HG2 ILE 42 2HG2 ILE 42 1.432 2.671 -2.892 352 3HG2 ILE 42 3HG2 ILE 42 2.301 3.903 -3.807 353 1HD1 ILE 42 1HD1 ILE 42 3.668 0.615 -6.415 354 2HD1 ILE 42 2HD1 ILE 42 3.472 -0.910 -5.550 355 3HD1 ILE 42 3HD1 ILE 42 5.011 -0.050 -5.486 356 H ILE 43 H ILE 43 -1.137 1.747 -3.826 357 HA ILE 43 HA ILE 43 -1.659 4.223 -5.335 358 HB ILE 43 HB ILE 43 -4.113 3.605 -5.193 359 1HG1 ILE 43 2HG1 ILE 43 -2.952 0.859 -4.669 360 2HG1 ILE 43 1HG1 ILE 43 -3.855 1.820 -3.502 361 1HG2 ILE 43 1HG2 ILE 43 -3.648 1.698 -7.046 362 2HG2 ILE 43 2HG2 ILE 43 -2.062 2.466 -6.968 363 3HG2 ILE 43 3HG2 ILE 43 -3.490 3.428 -7.348 364 1HD1 ILE 43 1HD1 ILE 43 -4.823 0.398 -5.935 365 2HD1 ILE 43 2HD1 ILE 43 -5.715 1.786 -5.308 366 3HD1 ILE 43 3HD1 ILE 43 -5.453 0.371 -4.288 367 H SER 44 H SER 44 -2.350 5.930 -4.170 368 HA SER 44 HA SER 44 -2.755 5.510 -1.287 369 1HB SER 44 2HB SER 44 -0.917 6.963 -1.570 370 2HB SER 44 1HB SER 44 -1.710 7.851 -2.870 371 HG SER 44 HG SER 44 -2.493 9.128 -1.413 372 H ILE 45 H ILE 45 -4.447 6.589 -0.205 373 HA ILE 45 HA ILE 45 -6.446 7.961 -1.830 374 HB ILE 45 HB ILE 45 -8.267 6.555 -0.773 375 1HG1 ILE 45 2HG1 ILE 45 -6.034 4.558 -0.381 376 2HG1 ILE 45 1HG1 ILE 45 -6.694 5.533 0.928 377 1HG2 ILE 45 1HG2 ILE 45 -7.927 6.269 -3.069 378 2HG2 ILE 45 2HG2 ILE 45 -7.864 4.635 -2.410 379 3HG2 ILE 45 3HG2 ILE 45 -6.371 5.473 -2.830 380 1HD1 ILE 45 1HD1 ILE 45 -8.845 4.276 -0.443 381 2HD1 ILE 45 2HD1 ILE 45 -8.313 4.063 1.225 382 3HD1 ILE 45 3HD1 ILE 45 -7.623 3.064 -0.055 383 H LYS 46 H LYS 46 -4.735 9.018 0.105 384 HA LYS 46 HA LYS 46 -4.719 10.333 1.961 385 1HB LYS 46 2HB LYS 46 -7.097 10.823 0.655 386 2HB LYS 46 1HB LYS 46 -7.622 10.497 2.300 387 1HG LYS 46 2HG LYS 46 -5.446 12.464 1.661 388 2HG LYS 46 1HG LYS 46 -7.153 12.908 1.716 389 1HD LYS 46 2HD LYS 46 -6.933 11.613 4.065 390 2HD LYS 46 1HD LYS 46 -5.290 12.239 3.908 391 1HE LYS 46 2HE LYS 46 -6.178 14.495 3.597 392 2HE LYS 46 1HE LYS 46 -7.821 13.873 3.741 393 1HZ LYS 46 1HZ LYS 46 -7.532 14.448 5.881 394 2HZ LYS 46 2HZ LYS 46 -5.844 14.377 5.803 395 3HZ LYS 46 3HZ LYS 46 -6.741 12.956 5.994 396 H GLY 47 H GLY 47 -5.108 7.333 2.191 397 1HA GLY 47 2HA GLY 47 -6.706 6.828 4.482 398 2HA GLY 47 1HA GLY 47 -5.454 5.771 3.843 399 H THR 48 H THR 48 -6.009 8.628 5.848 400 HA THR 48 HA THR 48 -4.984 9.360 7.744 401 HB THR 48 HB THR 48 -3.289 6.866 7.721 402 HG1 THR 48 HG1 THR 48 -5.273 6.013 7.605 403 1HG2 THR 48 1HG2 THR 48 -3.143 8.877 9.450 404 2HG2 THR 48 2HG2 THR 48 -2.920 7.193 9.924 405 3HG2 THR 48 3HG2 THR 48 -4.475 7.983 10.184 406 H GLN 49 H GLN 49 -2.418 7.545 6.054 407 HA GLN 49 HA GLN 49 -1.137 9.702 4.876 408 1HB GLN 49 2HB GLN 49 0.850 9.868 6.484 409 2HB GLN 49 1HB GLN 49 -0.631 10.696 6.945 410 1HG GLN 49 2HG GLN 49 -1.151 8.523 8.249 411 2HG GLN 49 1HG GLN 49 0.577 8.216 8.084 412 1HE2 GLN 49 1HE2 GLN 49 -0.264 8.396 10.558 413 2HE2 GLN 49 2HE2 GLN 49 0.153 9.908 11.284 414 H SER 50 H SER 50 -1.476 7.428 3.758 415 HA SER 50 HA SER 50 1.075 6.456 3.124 416 1HB SER 50 2HB SER 50 -0.338 5.041 5.304 417 2HB SER 50 1HB SER 50 0.329 4.013 4.035 418 HG SER 50 HG SER 50 1.793 6.002 5.432 419 H ASN 51 H ASN 51 0.706 4.056 2.072 420 HA ASN 51 HA ASN 51 -1.796 4.146 0.540 421 1HB ASN 51 2HB ASN 51 -0.499 3.591 -1.525 422 2HB ASN 51 1HB ASN 51 -0.167 5.201 -0.894 423 1HD2 ASN 51 1HD2 ASN 51 1.874 5.748 -0.551 424 2HD2 ASN 51 2HD2 ASN 51 3.217 4.663 -0.541 425 H HIS 52 H HIS 52 -1.722 2.049 -0.997 426 HA HIS 52 HA HIS 52 -1.165 -0.201 0.818 427 1HB HIS 52 2HB HIS 52 -3.089 -0.240 -1.505 428 2HB HIS 52 1HB HIS 52 -2.983 -1.378 -0.166 429 HD1 HIS 52 HD1 HIS 52 -2.823 1.052 1.988 430 HD2 HIS 52 HD2 HIS 52 -5.750 0.382 -0.885 431 HE1 HIS 52 HE1 HIS 52 -4.877 2.231 2.834 432 HE2 HIS 52 HE2 HIS 52 -6.660 1.733 1.125 433 H VAL 53 H VAL 53 -0.349 -2.161 -0.064 434 HA VAL 53 HA VAL 53 0.957 -1.869 -2.689 435 HB VAL 53 HB VAL 53 2.620 -1.611 -0.900 436 1HG1 VAL 53 1HG1 VAL 53 2.444 -4.431 -0.061 437 2HG1 VAL 53 2HG1 VAL 53 1.165 -3.369 0.528 438 3HG1 VAL 53 3HG1 VAL 53 2.853 -2.990 0.870 439 1HG2 VAL 53 1HG2 VAL 53 4.221 -2.871 -1.934 440 2HG2 VAL 53 2HG2 VAL 53 2.934 -2.982 -3.136 441 3HG2 VAL 53 3HG2 VAL 53 3.203 -4.309 -2.005 442 H LEU 54 H LEU 54 1.030 -3.669 -3.992 443 HA LEU 54 HA LEU 54 0.156 -6.246 -3.017 444 1HB LEU 54 2HB LEU 54 -1.586 -4.464 -4.624 445 2HB LEU 54 1HB LEU 54 -1.539 -6.150 -5.100 446 HG LEU 54 HG LEU 54 -2.150 -5.286 -2.281 447 1HD1 LEU 54 1HD1 LEU 54 -4.343 -6.179 -4.037 448 2HD1 LEU 54 2HD1 LEU 54 -3.719 -4.557 -4.335 449 3HD1 LEU 54 3HD1 LEU 54 -4.338 -4.984 -2.740 450 1HD2 LEU 54 1HD2 LEU 54 -3.289 -7.559 -2.330 451 2HD2 LEU 54 2HD2 LEU 54 -1.525 -7.552 -2.332 452 3HD2 LEU 54 3HD2 LEU 54 -2.409 -7.848 -3.830 453 H PHE 55 H PHE 55 0.819 -7.926 -4.310 454 HA PHE 55 HA PHE 55 2.850 -7.328 -6.235 455 1HB PHE 55 2HB PHE 55 2.730 -9.328 -4.602 456 2HB PHE 55 1HB PHE 55 1.664 -10.058 -5.798 457 HD1 PHE 55 HD1 PHE 55 2.664 -9.840 -8.302 458 HD2 PHE 55 HD2 PHE 55 4.924 -9.940 -4.698 459 HE1 PHE 55 HE1 PHE 55 4.623 -10.641 -9.558 460 HE2 PHE 55 HE2 PHE 55 6.888 -10.739 -5.947 461 HZ PHE 55 HZ PHE 55 6.738 -11.090 -8.380 462 H LEU 56 H LEU 56 2.507 -6.854 -8.293 463 HA LEU 56 HA LEU 56 0.009 -7.013 -9.557 464 1HB LEU 56 2HB LEU 56 2.704 -6.186 -10.251 465 2HB LEU 56 1HB LEU 56 1.891 -6.947 -11.606 466 HG LEU 56 HG LEU 56 1.617 -4.505 -11.607 467 1HD1 LEU 56 1HD1 LEU 56 -1.034 -4.652 -11.427 468 2HD1 LEU 56 2HD1 LEU 56 -0.668 -6.378 -11.425 469 3HD1 LEU 56 3HD1 LEU 56 -0.132 -5.364 -12.765 470 1HD2 LEU 56 1HD2 LEU 56 0.908 -3.299 -9.850 471 2HD2 LEU 56 2HD2 LEU 56 1.412 -4.703 -8.910 472 3HD2 LEU 56 3HD2 LEU 56 -0.280 -4.510 -9.367 473 H SER 57 H SER 57 -0.967 -8.941 -9.767 474 HA SER 57 HA SER 57 0.557 -11.198 -10.855 475 1HB SER 57 2HB SER 57 -2.001 -10.969 -9.303 476 2HB SER 57 1HB SER 57 -1.694 -12.406 -10.280 477 HG SER 57 HG SER 57 -0.963 -12.364 -7.972 478 H SER 58 H SER 58 -0.271 -8.927 -12.489 479 HA SER 58 HA SER 58 -2.554 -9.417 -14.010 480 1HB SER 58 2HB SER 58 0.051 -8.059 -14.706 481 2HB SER 58 1HB SER 58 -1.323 -8.107 -15.811 482 HG SER 58 HG SER 58 -1.543 -7.152 -13.158 483 H TYR 59 H TYR 59 -2.428 -9.944 -16.439 484 HA TYR 59 HA TYR 59 -0.795 -12.374 -16.795 485 1HB TYR 59 2HB TYR 59 -3.360 -12.044 -18.286 486 2HB TYR 59 1HB TYR 59 -2.566 -13.514 -17.732 487 HD1 TYR 59 HD1 TYR 59 -2.215 -12.848 -14.843 488 HD2 TYR 59 HD2 TYR 59 -5.531 -12.279 -17.446 489 HE1 TYR 59 HE1 TYR 59 -3.736 -12.936 -12.914 490 HE2 TYR 59 HE2 TYR 59 -7.062 -12.364 -15.524 491 HH TYR 59 HH TYR 59 -7.137 -13.190 -13.264 492 H ASN 60 H ASN 60 -2.603 -9.917 -18.640 493 HA ASN 60 HA ASN 60 -0.307 -9.537 -20.379 494 1HB ASN 60 2HB ASN 60 -2.366 -11.268 -21.160 495 2HB ASN 60 1HB ASN 60 -2.681 -9.769 -22.028 496 1HD2 ASN 60 1HD2 ASN 60 -1.986 -10.075 -24.021 497 2HD2 ASN 60 2HD2 ASN 60 -0.430 -10.680 -24.466 498 H SER 61 H SER 61 -3.764 -8.765 -20.719 499 HA SER 61 HA SER 61 -3.711 -6.175 -19.719 500 1HB SER 61 2HB SER 61 -3.848 -5.123 -22.192 501 2HB SER 61 1HB SER 61 -2.343 -5.215 -21.278 502 HG SER 61 HG SER 61 -3.261 -7.027 -23.259 503 H VAL 62 H VAL 62 -5.765 -6.748 -19.055 504 HA VAL 62 HA VAL 62 -7.841 -6.418 -21.063 505 HB VAL 62 HB VAL 62 -9.109 -8.400 -20.093 506 1HG1 VAL 62 1HG1 VAL 62 -8.421 -9.718 -21.826 507 2HG1 VAL 62 2HG1 VAL 62 -6.709 -9.420 -21.520 508 3HG1 VAL 62 3HG1 VAL 62 -7.691 -8.188 -22.313 509 1HG2 VAL 62 1HG2 VAL 62 -7.887 -8.929 -18.150 510 2HG2 VAL 62 2HG2 VAL 62 -6.356 -8.965 -19.024 511 3HG2 VAL 62 3HG2 VAL 62 -7.549 -10.237 -19.283 512 H ASP 63 H ASP 63 -10.051 -6.371 -19.984 513 HA ASP 63 HA ASP 63 -10.069 -4.410 -17.985 514 1HB ASP 63 2HB ASP 63 -12.179 -6.227 -19.117 515 2HB ASP 63 1HB ASP 63 -12.550 -5.151 -17.773 516 H GLU 64 H GLU 64 -10.153 -7.898 -17.807 517 HA GLU 64 HA GLU 64 -11.076 -8.204 -15.181 518 1HB GLU 64 2HB GLU 64 -10.622 -9.975 -17.028 519 2HB GLU 64 1HB GLU 64 -8.994 -10.015 -16.364 520 1HG GLU 64 2HG GLU 64 -10.083 -10.463 -14.117 521 2HG GLU 64 1HG GLU 64 -11.571 -10.750 -15.018 522 H ILE 65 H ILE 65 -7.948 -7.311 -16.440 523 HA ILE 65 HA ILE 65 -6.481 -7.784 -14.041 524 HB ILE 65 HB ILE 65 -5.757 -5.882 -16.270 525 1HG1 ILE 65 2HG1 ILE 65 -6.275 -8.142 -17.135 526 2HG1 ILE 65 1HG1 ILE 65 -4.570 -7.739 -17.306 527 1HG2 ILE 65 1HG2 ILE 65 -3.435 -6.916 -15.388 528 2HG2 ILE 65 2HG2 ILE 65 -4.374 -6.948 -13.895 529 3HG2 ILE 65 3HG2 ILE 65 -4.143 -5.427 -14.761 530 1HD1 ILE 65 1HD1 ILE 65 -5.843 -9.600 -15.326 531 2HD1 ILE 65 2HD1 ILE 65 -4.181 -9.029 -15.178 532 3HD1 ILE 65 3HD1 ILE 65 -4.665 -9.976 -16.584 533 H ARG 66 H ARG 66 -7.383 -4.710 -15.624 534 HA ARG 66 HA ARG 66 -6.725 -3.062 -13.466 535 1HB ARG 66 2HB ARG 66 -7.998 -1.334 -14.577 536 2HB ARG 66 1HB ARG 66 -7.119 -2.266 -15.780 537 1HG ARG 66 2HG ARG 66 -9.065 -2.336 -16.864 538 2HG ARG 66 1HG ARG 66 -9.504 -3.582 -15.694 539 1HD ARG 66 2HD ARG 66 -11.270 -1.962 -15.779 540 2HD ARG 66 1HD ARG 66 -10.435 -1.799 -14.235 541 HE ARG 66 HE ARG 66 -9.763 0.305 -14.851 542 1HH1 ARG 66 2HH1 ARG 66 -10.974 -1.373 -17.661 543 2HH1 ARG 66 1HH1 ARG 66 -10.954 0.036 -18.667 544 1HH2 ARG 66 1HH2 ARG 66 -9.736 2.160 -16.172 545 2HH2 ARG 66 2HH2 ARG 66 -10.251 2.042 -17.821 546 H LYS 67 H LYS 67 -9.646 -4.859 -14.177 547 HA LYS 67 HA LYS 67 -11.387 -3.611 -12.370 548 1HB LYS 67 2HB LYS 67 -11.282 -6.234 -13.756 549 2HB LYS 67 1HB LYS 67 -12.335 -6.125 -12.352 550 1HG LYS 67 2HG LYS 67 -13.681 -4.494 -13.343 551 2HG LYS 67 1HG LYS 67 -12.471 -4.112 -14.569 552 1HD LYS 67 2HD LYS 67 -13.957 -5.377 -15.789 553 2HD LYS 67 1HD LYS 67 -12.816 -6.614 -15.257 554 1HE LYS 67 2HE LYS 67 -14.673 -7.690 -14.583 555 2HE LYS 67 1HE LYS 67 -14.555 -6.618 -13.188 556 1HZ LYS 67 1HZ LYS 67 -16.352 -5.459 -13.824 557 2HZ LYS 67 2HZ LYS 67 -16.727 -6.841 -14.724 558 3HZ LYS 67 3HZ LYS 67 -15.968 -5.527 -15.470 559 H GLU 68 H GLU 68 -8.878 -5.992 -11.912 560 HA GLU 68 HA GLU 68 -9.662 -6.809 -9.300 561 1HB GLU 68 2HB GLU 68 -8.130 -8.056 -10.903 562 2HB GLU 68 1HB GLU 68 -6.871 -6.921 -10.438 563 1HG GLU 68 2HG GLU 68 -8.200 -8.130 -8.154 564 2HG GLU 68 1HG GLU 68 -7.439 -9.314 -9.215 565 H LEU 69 H LEU 69 -7.160 -4.572 -10.487 566 HA LEU 69 HA LEU 69 -6.300 -3.747 -7.924 567 1HB LEU 69 2HB LEU 69 -5.296 -3.440 -10.379 568 2HB LEU 69 1HB LEU 69 -6.087 -1.882 -10.229 569 HG LEU 69 HG LEU 69 -4.796 -1.490 -8.127 570 1HD1 LEU 69 1HD1 LEU 69 -4.340 -3.786 -7.511 571 2HD1 LEU 69 2HD1 LEU 69 -2.827 -2.905 -7.717 572 3HD1 LEU 69 3HD1 LEU 69 -3.379 -4.013 -8.972 573 1HD2 LEU 69 1HD2 LEU 69 -4.085 -0.599 -10.313 574 2HD2 LEU 69 2HD2 LEU 69 -3.112 -2.048 -10.566 575 3HD2 LEU 69 3HD2 LEU 69 -2.723 -0.945 -9.247 576 H GLU 70 H GLU 70 -8.360 -2.070 -10.312 577 HA GLU 70 HA GLU 70 -9.018 0.144 -8.799 578 1HB GLU 70 2HB GLU 70 -9.866 -0.980 -11.224 579 2HB GLU 70 1HB GLU 70 -11.331 -0.791 -10.269 580 1HG GLU 70 2HG GLU 70 -9.506 1.518 -10.288 581 2HG GLU 70 1HG GLU 70 -10.287 1.135 -11.822 582 H GLU 71 H GLU 71 -10.296 -3.112 -8.649 583 HA GLU 71 HA GLU 71 -12.547 -2.637 -7.045 584 1HB GLU 71 2HB GLU 71 -10.873 -4.977 -7.737 585 2HB GLU 71 1HB GLU 71 -11.803 -5.114 -6.251 586 1HG GLU 71 2HG GLU 71 -13.854 -4.729 -7.435 587 2HG GLU 71 1HG GLU 71 -12.976 -4.398 -8.927 588 H ALA 72 H ALA 72 -9.161 -3.251 -6.232 589 HA ALA 72 HA ALA 72 -9.681 -3.149 -3.389 590 1HB ALA 72 1HB ALA 72 -7.889 -4.552 -4.562 591 2HB ALA 72 2HB ALA 72 -7.436 -3.709 -3.082 592 3HB ALA 72 3HB ALA 72 -6.962 -3.054 -4.650 593 H GLY 73 H GLY 73 -8.860 -0.928 -5.898 594 1HA GLY 73 2HA GLY 73 -7.462 1.041 -4.513 595 2HA GLY 73 1HA GLY 73 -8.524 1.341 -5.881 596 H ALA 74 H ALA 74 -10.980 1.001 -5.124 597 HA ALA 74 HA ALA 74 -11.637 1.814 -2.488 598 1HB ALA 74 1HB ALA 74 -12.140 4.073 -2.712 599 2HB ALA 74 2HB ALA 74 -12.114 4.005 -4.474 600 3HB ALA 74 3HB ALA 74 -10.605 3.914 -3.566 601 H LYS 75 H LYS 75 -12.508 -0.179 -4.262 602 HA LYS 75 HA LYS 75 -15.176 0.683 -5.090 603 1HB LYS 75 2HB LYS 75 -13.272 -1.091 -6.195 604 2HB LYS 75 1HB LYS 75 -14.662 -2.057 -5.719 605 1HG LYS 75 2HG LYS 75 -15.199 0.444 -7.208 606 2HG LYS 75 1HG LYS 75 -14.467 -0.892 -8.097 607 1HD LYS 75 2HD LYS 75 -16.424 -2.191 -6.749 608 2HD LYS 75 1HD LYS 75 -17.179 -0.613 -6.984 609 1HE LYS 75 2HE LYS 75 -17.248 -0.831 -9.257 610 2HE LYS 75 1HE LYS 75 -15.819 -1.861 -9.311 611 1HZ LYS 75 1HZ LYS 75 -17.339 -3.453 -9.688 612 2HZ LYS 75 2HZ LYS 75 -18.610 -2.581 -8.989 613 3HZ LYS 75 3HZ LYS 75 -17.529 -3.434 -8.006 614 H ILE 76 H ILE 76 -13.975 -2.368 -3.847 615 HA ILE 76 HA ILE 76 -16.370 -2.630 -2.196 616 HB ILE 76 HB ILE 76 -15.451 -4.966 -1.790 617 1HG1 ILE 76 2HG1 ILE 76 -13.828 -4.538 -4.270 618 2HG1 ILE 76 1HG1 ILE 76 -13.132 -4.137 -2.704 619 1HG2 ILE 76 1HG2 ILE 76 -16.509 -5.799 -3.696 620 2HG2 ILE 76 2HG2 ILE 76 -15.992 -4.438 -4.690 621 3HG2 ILE 76 3HG2 ILE 76 -17.240 -4.211 -3.464 622 1HD1 ILE 76 1HD1 ILE 76 -14.388 -6.780 -2.855 623 2HD1 ILE 76 2HD1 ILE 76 -12.853 -6.284 -2.143 624 3HD1 ILE 76 3HD1 ILE 76 -12.971 -6.559 -3.882 625 H ASN 77 H ASN 77 -14.494 -0.735 -1.304 626 HA ASN 77 HA ASN 77 -13.567 -0.038 0.656 627 1HB ASN 77 2HB ASN 77 -14.253 -2.747 1.806 628 2HB ASN 77 1HB ASN 77 -13.977 -1.246 2.684 629 1HD2 ASN 77 1HD2 ASN 77 -15.459 0.486 1.082 630 2HD2 ASN 77 2HD2 ASN 77 -17.133 0.093 1.249 631 H HIS 78 H HIS 78 -12.839 -3.532 0.513 632 HA HIS 78 HA HIS 78 -10.880 -4.678 0.430 633 1HB HIS 78 2HB HIS 78 -10.370 -3.313 -1.537 634 2HB HIS 78 1HB HIS 78 -9.736 -2.037 -0.505 635 HD1 HIS 78 HD1 HIS 78 -7.283 -2.073 -0.232 636 HD2 HIS 78 HD2 HIS 78 -8.784 -5.838 -1.146 637 HE1 HIS 78 HE1 HIS 78 -5.271 -3.566 -0.444 638 HE2 HIS 78 HE2 HIS 78 -6.209 -5.858 -0.904 639 H THR 79 H THR 79 -11.145 -4.765 2.763 640 HA THR 79 HA THR 79 -8.749 -3.972 4.105 641 HB THR 79 HB THR 79 -9.925 -1.865 4.332 642 HG1 THR 79 HG1 THR 79 -8.868 -2.232 6.174 643 1HG2 THR 79 1HG2 THR 79 -12.252 -3.199 4.255 644 2HG2 THR 79 2HG2 THR 79 -12.078 -1.560 4.882 645 3HG2 THR 79 3HG2 THR 79 -12.104 -2.930 5.991 646 H THR 80 H THR 80 -10.172 -6.395 3.484 647 HA THR 80 HA THR 80 -10.544 -7.406 6.218 648 HB THR 80 HB THR 80 -12.442 -8.702 5.599 649 HG1 THR 80 HG1 THR 80 -12.997 -9.113 3.580 650 1HG2 THR 80 1HG2 THR 80 -14.079 -7.081 4.816 651 2HG2 THR 80 2HG2 THR 80 -12.777 -5.991 4.338 652 3HG2 THR 80 3HG2 THR 80 -13.018 -6.384 6.040 653 H LEU 81 H LEU 81 -8.652 -7.571 3.588 654 HA LEU 81 HA LEU 81 -7.213 -9.092 2.702 655 1HB LEU 81 2HB LEU 81 -7.523 -9.844 5.544 656 2HB LEU 81 1HB LEU 81 -6.803 -11.062 4.507 657 HG LEU 81 HG LEU 81 -5.365 -8.857 3.797 658 1HD1 LEU 81 1HD1 LEU 81 -4.702 -8.072 6.234 659 2HD1 LEU 81 2HD1 LEU 81 -6.392 -8.464 6.554 660 3HD1 LEU 81 3HD1 LEU 81 -5.980 -7.276 5.316 661 1HD2 LEU 81 1HD2 LEU 81 -4.066 -10.672 4.193 662 2HD2 LEU 81 2HD2 LEU 81 -4.970 -11.143 5.632 663 3HD2 LEU 81 3HD2 LEU 81 -3.788 -9.836 5.721 664 H LYS 82 H LYS 82 -10.142 -9.530 2.364 665 HA LYS 82 HA LYS 82 -10.469 -12.397 2.311 666 1HB LYS 82 2HB LYS 82 -12.368 -10.883 2.784 667 2HB LYS 82 1HB LYS 82 -12.233 -10.230 1.157 668 1HG LYS 82 2HG LYS 82 -13.988 -11.774 1.061 669 2HG LYS 82 1HG LYS 82 -12.610 -12.598 0.330 670 1HD LYS 82 2HD LYS 82 -12.195 -13.788 2.414 671 2HD LYS 82 1HD LYS 82 -13.527 -12.927 3.188 672 1HE LYS 82 2HE LYS 82 -15.097 -14.216 2.213 673 2HE LYS 82 1HE LYS 82 -14.215 -14.317 0.689 674 1HZ LYS 82 1HZ LYS 82 -14.420 -16.459 1.887 675 2HZ LYS 82 2HZ LYS 82 -13.473 -15.824 3.135 676 3HZ LYS 82 3HZ LYS 82 -12.816 -16.008 1.588 677 H ILE 83 H ILE 83 -10.763 -9.937 -0.264 678 HA ILE 83 HA ILE 83 -10.591 -11.692 -2.409 679 HB ILE 83 HB ILE 83 -9.821 -9.733 -3.751 680 1HG1 ILE 83 2HG1 ILE 83 -10.238 -7.889 -1.481 681 2HG1 ILE 83 1HG1 ILE 83 -8.742 -8.816 -1.429 682 1HG2 ILE 83 1HG2 ILE 83 -12.241 -9.825 -2.074 683 2HG2 ILE 83 2HG2 ILE 83 -12.073 -9.726 -3.827 684 3HG2 ILE 83 3HG2 ILE 83 -11.895 -8.275 -2.840 685 1HD1 ILE 83 1HD1 ILE 83 -9.002 -7.835 -4.054 686 2HD1 ILE 83 2HD1 ILE 83 -7.836 -7.359 -2.818 687 3HD1 ILE 83 3HD1 ILE 83 -9.370 -6.501 -2.960 688 H LEU 84 H LEU 84 -8.083 -10.374 -0.389 689 HA LEU 84 HA LEU 84 -5.918 -11.096 -2.130 690 1HB LEU 84 2HB LEU 84 -5.689 -9.268 -0.524 691 2HB LEU 84 1HB LEU 84 -5.953 -10.381 0.805 692 HG LEU 84 HG LEU 84 -3.689 -10.996 -1.008 693 1HD1 LEU 84 1HD1 LEU 84 -3.843 -8.422 -0.381 694 2HD1 LEU 84 2HD1 LEU 84 -2.311 -9.295 -0.400 695 3HD1 LEU 84 3HD1 LEU 84 -3.147 -9.013 1.127 696 1HD2 LEU 84 1HD2 LEU 84 -2.854 -12.078 0.807 697 2HD2 LEU 84 2HD2 LEU 84 -4.564 -12.121 1.236 698 3HD2 LEU 84 3HD2 LEU 84 -3.505 -10.903 1.949 699 H GLU 85 H GLU 85 -7.682 -12.571 0.501 700 HA GLU 85 HA GLU 85 -5.848 -14.756 0.841 701 1HB GLU 85 2HB GLU 85 -8.431 -13.911 1.999 702 2HB GLU 85 1HB GLU 85 -8.157 -15.647 1.960 703 1HG GLU 85 2HG GLU 85 -5.776 -14.669 2.918 704 2HG GLU 85 1HG GLU 85 -6.973 -13.604 3.653 705 H GLY 86 H GLY 86 -8.545 -14.035 -1.209 706 1HA GLY 86 2HA GLY 86 -8.900 -16.829 -1.978 707 2HA GLY 86 1HA GLY 86 -9.860 -15.465 -2.532 708 H HIS 87 H HIS 87 -7.301 -13.963 -3.107 709 HA HIS 87 HA HIS 87 -6.828 -15.197 -5.727 710 1HB HIS 87 2HB HIS 87 -7.534 -12.653 -5.178 711 2HB HIS 87 1HB HIS 87 -5.782 -12.484 -5.148 712 HD1 HIS 87 HD1 HIS 87 -5.868 -14.925 -7.502 713 HD2 HIS 87 HD2 HIS 87 -7.296 -11.023 -7.575 714 HE1 HIS 87 HE1 HIS 87 -6.023 -14.311 -9.936 715 HE2 HIS 87 HE2 HIS 87 -6.971 -11.977 -9.957 716 H LEU 88 HN LEU 88 -4.938 -13.317 -3.350 717 HA LEU 88 HA LEU 88 -2.467 -14.451 -4.286 718 1HB LEU 88 2HB LEU 88 -3.146 -12.642 -1.973 719 2HB LEU 88 1HB LEU 88 -1.516 -13.193 -2.303 720 HG LEU 88 HG LEU 88 -1.846 -10.950 -3.170 721 1HD1 LEU 88 1HD1 LEU 88 -0.735 -11.288 -5.125 722 2HD1 LEU 88 2HD1 LEU 88 -1.831 -12.563 -5.660 723 3HD1 LEU 88 3HD1 LEU 88 -0.599 -12.910 -4.447 724 1HD2 LEU 88 1HD2 LEU 88 -3.847 -11.987 -5.137 725 2HD2 LEU 88 2HD2 LEU 88 -3.516 -10.325 -4.650 726 3HD2 LEU 88 3HD2 LEU 88 -4.364 -11.414 -3.552 Start of MODEL 7 1 1H LEU 1 1H LEU 1 -8.758 20.186 -5.905 2 2H LEU 1 2H LEU 1 -10.012 19.727 -6.984 3 3H LEU 1 3H LEU 1 -9.355 18.580 -5.890 4 HA LEU 1 HA LEU 1 -10.166 19.871 -4.048 5 1HB LEU 1 2HB LEU 1 -10.205 21.905 -5.824 6 2HB LEU 1 1HB LEU 1 -11.898 21.447 -5.861 7 HG LEU 1 HG LEU 1 -11.646 23.211 -4.269 8 1HD1 LEU 1 1HD1 LEU 1 -12.720 22.275 -2.445 9 2HD1 LEU 1 2HD1 LEU 1 -11.775 20.788 -2.522 10 3HD1 LEU 1 3HD1 LEU 1 -13.031 21.098 -3.721 11 1HD2 LEU 1 1HD2 LEU 1 -10.145 22.514 -2.182 12 2HD2 LEU 1 2HD2 LEU 1 -9.498 23.398 -3.564 13 3HD2 LEU 1 3HD2 LEU 1 -9.266 21.653 -3.446 14 H PHE 2 H PHE 2 -10.710 17.448 -4.803 15 HA PHE 2 HA PHE 2 -13.585 17.256 -4.571 16 1HB PHE 2 2HB PHE 2 -13.741 15.633 -6.491 17 2HB PHE 2 1HB PHE 2 -13.463 17.308 -6.961 18 HD1 PHE 2 HD1 PHE 2 -10.899 17.943 -7.197 19 HD2 PHE 2 HD2 PHE 2 -12.486 14.007 -7.504 20 HE1 PHE 2 HE1 PHE 2 -8.925 17.253 -8.493 21 HE2 PHE 2 HE2 PHE 2 -10.514 13.308 -8.800 22 HZ PHE 2 HZ PHE 2 -8.730 14.932 -9.294 23 H ILE 3 H ILE 3 -10.603 15.417 -5.177 24 HA ILE 3 HA ILE 3 -10.706 13.984 -2.773 25 HB ILE 3 HB ILE 3 -12.665 12.887 -3.760 26 1HG1 ILE 3 2HG1 ILE 3 -10.467 10.847 -3.870 27 2HG1 ILE 3 1HG1 ILE 3 -10.810 11.685 -2.359 28 1HG2 ILE 3 1HG2 ILE 3 -11.773 11.220 -5.724 29 2HG2 ILE 3 2HG2 ILE 3 -10.894 12.707 -6.081 30 3HG2 ILE 3 3HG2 ILE 3 -12.655 12.723 -5.991 31 1HD1 ILE 3 1HD1 ILE 3 -12.209 9.503 -3.621 32 2HD1 ILE 3 2HD1 ILE 3 -13.292 10.847 -3.259 33 3HD1 ILE 3 3HD1 ILE 3 -12.328 10.120 -1.974 34 H ALA 4 H ALA 4 -8.972 12.477 -2.553 35 HA ALA 4 HA ALA 4 -6.897 12.848 -4.601 36 1HB ALA 4 1HB ALA 4 -5.271 12.571 -2.918 37 2HB ALA 4 2HB ALA 4 -6.444 11.907 -1.782 38 3HB ALA 4 3HB ALA 4 -6.507 13.615 -2.217 39 H THR 5 H THR 5 -6.886 11.197 -5.995 40 HA THR 5 HA THR 5 -6.624 8.492 -4.917 41 HB THR 5 HB THR 5 -8.141 7.679 -6.792 42 HG1 THR 5 HG1 THR 5 -9.013 10.375 -6.741 43 1HG2 THR 5 1HG2 THR 5 -8.772 8.200 -4.255 44 2HG2 THR 5 2HG2 THR 5 -9.936 7.602 -5.437 45 3HG2 THR 5 3HG2 THR 5 -9.868 9.323 -5.060 46 H LEU 6 H LEU 6 -4.555 8.185 -5.531 47 HA LEU 6 HA LEU 6 -3.953 8.466 -8.403 48 1HB LEU 6 2HB LEU 6 -1.965 8.718 -6.147 49 2HB LEU 6 1HB LEU 6 -1.668 8.996 -7.853 50 HG LEU 6 HG LEU 6 -3.515 10.846 -7.565 51 1HD1 LEU 6 1HD1 LEU 6 -3.606 9.927 -5.042 52 2HD1 LEU 6 2HD1 LEU 6 -3.992 11.587 -5.491 53 3HD1 LEU 6 3HD1 LEU 6 -2.392 11.194 -4.863 54 1HD2 LEU 6 1HD2 LEU 6 -0.780 11.321 -6.405 55 2HD2 LEU 6 2HD2 LEU 6 -1.804 12.459 -7.281 56 3HD2 LEU 6 3HD2 LEU 6 -1.070 11.099 -8.130 57 H LYS 7 H LYS 7 -2.408 6.933 -9.264 58 HA LYS 7 HA LYS 7 -2.001 4.516 -7.666 59 1HB LYS 7 2HB LYS 7 -3.257 4.520 -10.417 60 2HB LYS 7 1HB LYS 7 -2.784 3.086 -9.515 61 1HG LYS 7 2HG LYS 7 -4.995 3.134 -9.005 62 2HG LYS 7 1HG LYS 7 -4.381 4.143 -7.694 63 1HD LYS 7 2HD LYS 7 -5.299 6.036 -8.541 64 2HD LYS 7 1HD LYS 7 -5.052 5.532 -10.214 65 1HE LYS 7 2HE LYS 7 -7.418 5.620 -9.733 66 2HE LYS 7 1HE LYS 7 -6.925 3.946 -9.982 67 1HZ LYS 7 1HZ LYS 7 -6.641 4.116 -7.362 68 2HZ LYS 7 2HZ LYS 7 -8.101 3.675 -8.091 69 3HZ LYS 7 3HZ LYS 7 -7.867 5.264 -7.563 70 H GLY 8 H GLY 8 -0.064 3.585 -7.991 71 1HA GLY 8 2HA GLY 8 1.528 4.561 -10.283 72 2HA GLY 8 1HA GLY 8 2.213 4.275 -8.690 73 H ILE 9 H ILE 9 3.265 3.124 -10.991 74 HA ILE 9 HA ILE 9 2.680 0.283 -10.495 75 HB ILE 9 HB ILE 9 3.413 1.395 -13.202 76 1HG1 ILE 9 2HG1 ILE 9 1.174 2.180 -12.506 77 2HG1 ILE 9 1HG1 ILE 9 1.088 1.044 -13.849 78 1HG2 ILE 9 1HG2 ILE 9 4.093 -0.876 -12.965 79 2HG2 ILE 9 2HG2 ILE 9 2.629 -0.860 -13.947 80 3HG2 ILE 9 3HG2 ILE 9 2.546 -1.325 -12.248 81 1HD1 ILE 9 1HD1 ILE 9 -0.419 0.924 -11.594 82 2HD1 ILE 9 2HD1 ILE 9 0.880 -0.208 -11.220 83 3HD1 ILE 9 3HD1 ILE 9 -0.097 -0.434 -12.672 84 H PHE 10 H PHE 10 4.417 -1.027 -10.248 85 HA PHE 10 HA PHE 10 7.073 0.194 -10.617 86 1HB PHE 10 2HB PHE 10 5.914 -1.352 -8.357 87 2HB PHE 10 1HB PHE 10 7.603 -1.655 -8.752 88 HD1 PHE 10 HD1 PHE 10 8.973 -0.581 -7.260 89 HD2 PHE 10 HD2 PHE 10 5.504 1.430 -8.684 90 HE1 PHE 10 HE1 PHE 10 9.628 1.431 -6.004 91 HE2 PHE 10 HE2 PHE 10 6.152 3.445 -7.431 92 HZ PHE 10 HZ PHE 10 8.218 3.448 -6.089 93 H THR 11 H THR 11 6.577 -0.822 -12.824 94 HA THR 11 HA THR 11 6.719 -3.655 -13.083 95 HB THR 11 HB THR 11 6.865 -3.273 -15.440 96 HG1 THR 11 HG1 THR 11 7.516 -0.585 -14.813 97 1HG2 THR 11 1HG2 THR 11 4.984 -1.999 -15.900 98 2HG2 THR 11 2HG2 THR 11 5.285 -0.895 -14.558 99 3HG2 THR 11 3HG2 THR 11 4.725 -2.537 -14.240 100 H LEU 12 H LEU 12 8.413 -4.899 -13.965 101 HA LEU 12 HA LEU 12 10.535 -5.699 -13.923 102 1HB LEU 12 2HB LEU 12 11.327 -2.856 -14.529 103 2HB LEU 12 1HB LEU 12 12.281 -4.293 -14.837 104 HG LEU 12 HG LEU 12 11.460 -3.737 -16.938 105 1HD1 LEU 12 1HD1 LEU 12 10.766 -6.105 -15.929 106 2HD1 LEU 12 2HD1 LEU 12 10.359 -5.613 -17.573 107 3HD1 LEU 12 3HD1 LEU 12 9.157 -5.478 -16.290 108 1HD2 LEU 12 1HD2 LEU 12 8.608 -3.502 -16.341 109 2HD2 LEU 12 2HD2 LEU 12 9.648 -2.493 -17.346 110 3HD2 LEU 12 3HD2 LEU 12 9.605 -2.250 -15.600 111 H LYS 13 H LYS 13 12.383 -5.920 -12.592 112 HA LYS 13 HA LYS 13 12.520 -5.927 -10.101 113 1HB LYS 13 2HB LYS 13 14.559 -5.310 -11.890 114 2HB LYS 13 1HB LYS 13 14.649 -4.017 -10.702 115 1HG LYS 13 2HG LYS 13 14.840 -6.977 -10.199 116 2HG LYS 13 1HG LYS 13 16.115 -5.770 -10.022 117 1HD LYS 13 2HD LYS 13 15.518 -5.520 -7.892 118 2HD LYS 13 1HD LYS 13 13.967 -4.882 -8.437 119 1HE LYS 13 2HE LYS 13 14.219 -7.814 -8.481 120 2HE LYS 13 1HE LYS 13 14.255 -7.078 -6.880 121 1HZ LYS 13 1HZ LYS 13 12.192 -5.801 -8.002 122 2HZ LYS 13 2HZ LYS 13 12.039 -7.204 -7.072 123 3HZ LYS 13 3HZ LYS 13 12.064 -7.309 -8.758 124 H ASP 14 H ASP 14 10.755 -4.898 -9.428 125 HA ASP 14 HA ASP 14 9.460 -2.813 -9.306 126 1HB ASP 14 2HB ASP 14 9.512 -2.475 -6.884 127 2HB ASP 14 1HB ASP 14 9.549 -4.188 -7.289 128 H LEU 15 H LEU 15 10.755 -1.531 -10.831 129 HA LEU 15 HA LEU 15 12.913 0.077 -10.145 130 1HB LEU 15 2HB LEU 15 12.067 -0.169 -12.424 131 2HB LEU 15 1HB LEU 15 10.621 0.726 -11.997 132 HG LEU 15 HG LEU 15 12.076 2.709 -11.510 133 1HD1 LEU 15 1HD1 LEU 15 14.145 0.749 -12.302 134 2HD1 LEU 15 2HD1 LEU 15 14.226 2.091 -11.159 135 3HD1 LEU 15 3HD1 LEU 15 14.335 2.401 -12.893 136 1HD2 LEU 15 1HD2 LEU 15 12.640 3.069 -13.992 137 2HD2 LEU 15 2HD2 LEU 15 10.953 2.808 -13.548 138 3HD2 LEU 15 3HD2 LEU 15 11.896 1.489 -14.241 139 HA PRO 16 HA PRO 16 10.794 2.704 -7.149 140 1HB PRO 16 2HB PRO 16 12.990 3.754 -6.028 141 2HB PRO 16 1HB PRO 16 12.495 2.088 -5.705 142 1HG PRO 16 2HG PRO 16 14.601 3.113 -7.569 143 2HG PRO 16 1HG PRO 16 14.661 1.723 -6.471 144 1HD PRO 16 2HD PRO 16 14.156 1.529 -9.159 145 2HD PRO 16 1HD PRO 16 13.594 0.349 -7.959 146 H GLU 17 H GLU 17 10.060 3.915 -9.107 147 HA GLU 17 HA GLU 17 11.432 5.866 -10.458 148 1HB GLU 17 2HB GLU 17 8.916 5.052 -10.560 149 2HB GLU 17 1HB GLU 17 8.648 6.488 -9.581 150 1HG GLU 17 2HG GLU 17 8.951 7.872 -11.308 151 2HG GLU 17 1HG GLU 17 10.322 6.952 -11.930 152 H GLU 18 H GLU 18 10.313 5.934 -7.168 153 HA GLU 18 HA GLU 18 10.323 8.677 -6.685 154 1HB GLU 18 2HB GLU 18 9.506 6.840 -5.147 155 2HB GLU 18 1HB GLU 18 11.187 6.586 -4.702 156 1HG GLU 18 2HG GLU 18 10.338 7.957 -3.025 157 2HG GLU 18 1HG GLU 18 11.225 9.054 -4.081 158 H PHE 19 H PHE 19 12.874 6.383 -5.898 159 HA PHE 19 HA PHE 19 14.956 8.051 -6.884 160 1HB PHE 19 2HB PHE 19 14.332 8.096 -3.960 161 2HB PHE 19 1HB PHE 19 16.014 8.181 -4.472 162 HD1 PHE 19 HD1 PHE 19 16.525 9.976 -6.312 163 HD2 PHE 19 HD2 PHE 19 13.128 10.043 -3.751 164 HE1 PHE 19 HE1 PHE 19 16.284 12.392 -6.704 165 HE2 PHE 19 HE2 PHE 19 12.879 12.459 -4.139 166 HZ PHE 19 HZ PHE 19 14.457 13.637 -5.617 167 H ARG 20 H ARG 20 15.052 6.014 -3.982 168 HA ARG 20 HA ARG 20 16.685 4.093 -5.502 169 1HB ARG 20 2HB ARG 20 17.990 3.683 -3.582 170 2HB ARG 20 1HB ARG 20 17.788 5.425 -3.627 171 1HG ARG 20 2HG ARG 20 16.718 5.469 -1.668 172 2HG ARG 20 1HG ARG 20 15.742 4.053 -2.054 173 1HD ARG 20 2HD ARG 20 17.171 2.633 -1.044 174 2HD ARG 20 1HD ARG 20 18.594 3.509 -1.603 175 HE ARG 20 HE ARG 20 17.327 3.755 0.930 176 1HH1 ARG 20 2HH1 ARG 20 19.048 5.577 -1.498 177 2HH1 ARG 20 1HH1 ARG 20 19.653 6.745 -0.372 178 1HH2 ARG 20 1HH2 ARG 20 18.125 5.289 2.414 179 2HH2 ARG 20 2HH2 ARG 20 19.130 6.581 1.848 180 HA PRO 21 HA PRO 21 14.038 0.647 -4.889 181 1HB PRO 21 2HB PRO 21 15.675 -0.973 -3.241 182 2HB PRO 21 1HB PRO 21 15.539 -1.039 -5.000 183 1HG PRO 21 2HG PRO 21 17.576 0.310 -3.306 184 2HG PRO 21 1HG PRO 21 17.753 -0.437 -4.904 185 1HD PRO 21 2HD PRO 21 17.718 2.216 -4.624 186 2HD PRO 21 1HD PRO 21 16.921 1.438 -6.005 187 H PHE 22 H PHE 22 12.370 1.343 -3.638 188 HA PHE 22 HA PHE 22 12.725 1.508 -0.740 189 1HB PHE 22 2HB PHE 22 11.561 3.371 -1.799 190 2HB PHE 22 1HB PHE 22 10.387 2.268 -2.507 191 HD1 PHE 22 HD1 PHE 22 11.725 3.338 0.798 192 HD2 PHE 22 HD2 PHE 22 8.395 1.882 -1.415 193 HE1 PHE 22 HE1 PHE 22 10.300 3.583 2.789 194 HE2 PHE 22 HE2 PHE 22 6.964 2.124 0.572 195 HZ PHE 22 HZ PHE 22 7.917 2.975 2.678 196 H VAL 23 H VAL 23 10.598 -0.067 -3.118 197 HA VAL 23 HA VAL 23 9.463 -1.810 -1.115 198 HB VAL 23 HB VAL 23 9.169 -2.027 -4.111 199 1HG1 VAL 23 1HG1 VAL 23 7.627 -3.118 -1.771 200 2HG1 VAL 23 2HG1 VAL 23 8.401 -4.006 -3.084 201 3HG1 VAL 23 3HG1 VAL 23 6.957 -3.044 -3.401 202 1HG2 VAL 23 1HG2 VAL 23 8.570 0.237 -3.143 203 2HG2 VAL 23 2HG2 VAL 23 7.288 -0.588 -2.256 204 3HG2 VAL 23 3HG2 VAL 23 7.289 -0.601 -4.020 205 H ASP 24 H ASP 24 12.333 -1.801 -2.826 206 HA ASP 24 HA ASP 24 12.728 -4.391 -3.687 207 1HB ASP 24 2HB ASP 24 14.349 -2.523 -3.970 208 2HB ASP 24 1HB ASP 24 14.768 -2.666 -2.265 209 H TYR 25 H TYR 25 12.502 -3.159 -0.451 210 HA TYR 25 HA TYR 25 13.767 -5.250 0.933 211 1HB TYR 25 2HB TYR 25 12.823 -4.354 2.886 212 2HB TYR 25 1HB TYR 25 12.953 -2.964 1.816 213 HD1 TYR 25 HD1 TYR 25 10.758 -2.594 0.308 214 HD2 TYR 25 HD2 TYR 25 10.856 -4.601 4.059 215 HE1 TYR 25 HE1 TYR 25 8.363 -2.134 0.609 216 HE2 TYR 25 HE2 TYR 25 8.458 -4.149 4.368 217 HH TYR 25 HH TYR 25 6.811 -2.126 3.288 218 H LYS 26 H LYS 26 10.490 -4.877 -0.300 219 HA LYS 26 HA LYS 26 9.449 -7.221 0.932 220 1HB LYS 26 2HB LYS 26 8.273 -5.157 -0.292 221 2HB LYS 26 1HB LYS 26 8.323 -6.268 -1.655 222 1HG LYS 26 2HG LYS 26 7.305 -7.942 0.104 223 2HG LYS 26 1HG LYS 26 6.790 -6.444 0.883 224 1HD LYS 26 2HD LYS 26 5.226 -6.042 -0.672 225 2HD LYS 26 1HD LYS 26 6.304 -6.484 -1.997 226 1HE LYS 26 2HE LYS 26 5.351 -8.484 -2.186 227 2HE LYS 26 1HE LYS 26 5.586 -8.814 -0.471 228 1HZ LYS 26 1HZ LYS 26 3.531 -7.824 0.053 229 2HZ LYS 26 2HZ LYS 26 3.225 -8.819 -1.279 230 3HZ LYS 26 3HZ LYS 26 3.359 -7.146 -1.487 231 H ALA 27 H ALA 27 11.291 -6.576 -1.933 232 HA ALA 27 HA ALA 27 10.782 -9.067 -3.233 233 1HB ALA 27 1HB ALA 27 13.189 -7.320 -3.675 234 2HB ALA 27 2HB ALA 27 11.597 -6.919 -4.321 235 3HB ALA 27 3HB ALA 27 12.399 -8.410 -4.815 236 H GLY 28 H GLY 28 12.799 -8.042 -0.644 237 1HA GLY 28 2HA GLY 28 14.014 -10.720 -0.574 238 2HA GLY 28 1HA GLY 28 15.045 -9.304 -0.425 239 H LEU 29 H LEU 29 11.816 -9.565 0.938 240 HA LEU 29 HA LEU 29 12.486 -8.618 3.440 241 1HB LEU 29 2HB LEU 29 10.182 -9.825 2.191 242 2HB LEU 29 1HB LEU 29 10.324 -10.349 3.858 243 HG LEU 29 HG LEU 29 10.525 -7.433 3.237 244 1HD1 LEU 29 1HD1 LEU 29 8.234 -7.110 3.099 245 2HD1 LEU 29 2HD1 LEU 29 7.866 -8.715 3.729 246 3HD1 LEU 29 3HD1 LEU 29 8.491 -8.533 2.090 247 1HD2 LEU 29 1HD2 LEU 29 10.820 -8.724 5.528 248 2HD2 LEU 29 2HD2 LEU 29 9.061 -8.607 5.537 249 3HD2 LEU 29 3HD2 LEU 29 10.040 -7.143 5.446 250 H GLU 30 H GLU 30 12.905 -11.774 2.161 251 HA GLU 30 HA GLU 30 14.609 -12.644 4.182 252 1HB GLU 30 2HB GLU 30 13.205 -14.359 5.292 253 2HB GLU 30 1HB GLU 30 12.684 -12.718 5.645 254 1HG GLU 30 2HG GLU 30 10.644 -13.277 5.014 255 2HG GLU 30 1HG GLU 30 11.247 -13.511 3.374 256 H LYS 31 H LYS 31 15.613 -13.170 2.156 257 HA LYS 31 HA LYS 31 16.277 -14.585 0.510 258 1HB LYS 31 2HB LYS 31 16.409 -16.168 2.395 259 2HB LYS 31 1HB LYS 31 14.734 -16.626 2.122 260 1HG LYS 31 2HG LYS 31 16.070 -16.935 -0.338 261 2HG LYS 31 1HG LYS 31 17.105 -17.644 0.901 262 1HD LYS 31 2HD LYS 31 15.700 -19.360 1.250 263 2HD LYS 31 1HD LYS 31 14.274 -18.320 1.203 264 1HE LYS 31 2HE LYS 31 14.918 -18.253 -1.384 265 2HE LYS 31 1HE LYS 31 15.614 -19.820 -0.975 266 1HZ LYS 31 1HZ LYS 31 13.477 -20.374 -1.557 267 2HZ LYS 31 2HZ LYS 31 12.801 -18.968 -0.906 268 3HZ LYS 31 3HZ LYS 31 13.315 -20.211 0.119 269 H LYS 32 H LYS 32 14.090 -13.062 -0.111 270 HA LYS 32 HA LYS 32 12.188 -14.829 -1.453 271 1HB LYS 32 2HB LYS 32 11.189 -12.999 -0.252 272 2HB LYS 32 1HB LYS 32 12.234 -11.836 -1.051 273 1HG LYS 32 2HG LYS 32 9.990 -11.751 -1.963 274 2HG LYS 32 1HG LYS 32 11.135 -12.307 -3.184 275 1HD LYS 32 2HD LYS 32 10.298 -14.649 -1.997 276 2HD LYS 32 1HD LYS 32 8.834 -13.666 -2.017 277 1HE LYS 32 2HE LYS 32 10.331 -13.544 -4.515 278 2HE LYS 32 1HE LYS 32 9.802 -15.175 -4.106 279 1HZ LYS 32 1HZ LYS 32 7.962 -14.440 -5.177 280 2HZ LYS 32 2HZ LYS 32 8.213 -12.818 -4.774 281 3HZ LYS 32 3HZ LYS 32 7.568 -13.882 -3.628 282 H LYS 33 H LYS 33 15.104 -13.338 -2.117 283 HA LYS 33 HA LYS 33 16.329 -13.100 -4.013 284 1HB LYS 33 2HB LYS 33 15.375 -15.308 -4.612 285 2HB LYS 33 1HB LYS 33 14.025 -14.494 -5.389 286 1HG LYS 33 2HG LYS 33 15.436 -15.018 -7.150 287 2HG LYS 33 1HG LYS 33 15.810 -13.327 -6.816 288 1HD LYS 33 2HD LYS 33 17.546 -14.654 -5.160 289 2HD LYS 33 1HD LYS 33 17.491 -15.708 -6.574 290 1HE LYS 33 2HE LYS 33 18.097 -12.753 -6.584 291 2HE LYS 33 1HE LYS 33 19.277 -14.052 -6.766 292 1HZ LYS 33 1HZ LYS 33 17.026 -14.043 -8.620 293 2HZ LYS 33 2HZ LYS 33 18.645 -14.451 -8.885 294 3HZ LYS 33 3HZ LYS 33 18.183 -12.825 -8.825 295 H LEU 34 H LEU 34 16.579 -11.663 -5.743 296 HA LEU 34 HA LEU 34 14.336 -9.783 -6.084 297 1HB LEU 34 2HB LEU 34 17.242 -9.132 -6.512 298 2HB LEU 34 1HB LEU 34 15.900 -8.018 -6.341 299 HG LEU 34 HG LEU 34 17.090 -7.880 -4.317 300 1HD1 LEU 34 1HD1 LEU 34 15.312 -8.035 -2.989 301 2HD1 LEU 34 2HD1 LEU 34 15.248 -9.790 -3.150 302 3HD1 LEU 34 3HD1 LEU 34 14.470 -8.764 -4.356 303 1HD2 LEU 34 1HD2 LEU 34 18.159 -10.249 -4.879 304 2HD2 LEU 34 2HD2 LEU 34 16.970 -10.773 -3.686 305 3HD2 LEU 34 3HD2 LEU 34 18.180 -9.565 -3.253 306 H SER 35 H SER 35 13.376 -10.548 -7.921 307 HA SER 35 HA SER 35 15.061 -11.014 -10.273 308 1HB SER 35 2HB SER 35 12.409 -11.986 -9.381 309 2HB SER 35 1HB SER 35 12.588 -11.707 -11.113 310 HG SER 35 HG SER 35 14.079 -13.256 -11.231 311 H ASP 36 H ASP 36 14.922 -9.805 -12.103 312 HA ASP 36 HA ASP 36 13.726 -7.203 -11.885 313 1HB ASP 36 2HB ASP 36 15.926 -7.757 -13.052 314 2HB ASP 36 1HB ASP 36 14.955 -8.416 -14.365 315 H ASP 37 H ASP 37 12.480 -10.173 -12.718 316 HA ASP 37 HA ASP 37 10.664 -9.160 -14.758 317 1HB ASP 37 2HB ASP 37 9.830 -11.540 -14.767 318 2HB ASP 37 1HB ASP 37 11.525 -11.346 -15.206 319 H ASP 38 H ASP 38 10.709 -8.572 -11.694 320 HA ASP 38 HA ASP 38 8.131 -9.536 -10.835 321 1HB ASP 38 2HB ASP 38 10.441 -8.312 -9.614 322 2HB ASP 38 1HB ASP 38 8.977 -7.467 -9.121 323 H GLU 39 H GLU 39 6.543 -7.916 -9.918 324 HA GLU 39 HA GLU 39 6.446 -5.316 -11.136 325 1HB GLU 39 2HB GLU 39 4.641 -7.531 -12.095 326 2HB GLU 39 1HB GLU 39 4.193 -5.836 -12.238 327 1HG GLU 39 2HG GLU 39 6.553 -5.654 -13.383 328 2HG GLU 39 1HG GLU 39 6.292 -7.374 -13.669 329 H ILE 40 H ILE 40 5.690 -4.083 -9.557 330 HA ILE 40 HA ILE 40 3.501 -5.128 -7.880 331 HB ILE 40 HB ILE 40 5.665 -3.271 -6.897 332 1HG1 ILE 40 2HG1 ILE 40 5.395 -6.253 -6.451 333 2HG1 ILE 40 1HG1 ILE 40 6.610 -5.481 -7.465 334 1HG2 ILE 40 1HG2 ILE 40 3.344 -4.672 -5.620 335 2HG2 ILE 40 2HG2 ILE 40 3.786 -2.966 -5.557 336 3HG2 ILE 40 3HG2 ILE 40 4.737 -4.157 -4.669 337 1HD1 ILE 40 1HD1 ILE 40 6.322 -4.977 -4.516 338 2HD1 ILE 40 2HD1 ILE 40 7.633 -4.455 -5.572 339 3HD1 ILE 40 3HD1 ILE 40 7.416 -6.169 -5.218 340 H ALA 41 H ALA 41 2.033 -3.563 -7.038 341 HA ALA 41 HA ALA 41 2.085 -0.961 -8.413 342 1HB ALA 41 1HB ALA 41 0.398 -2.906 -9.177 343 2HB ALA 41 2HB ALA 41 0.008 -1.188 -9.273 344 3HB ALA 41 3HB ALA 41 -0.570 -2.150 -7.911 345 H ILE 42 H ILE 42 1.051 0.767 -7.317 346 HA ILE 42 HA ILE 42 0.281 0.256 -4.535 347 HB ILE 42 HB ILE 42 1.536 2.338 -3.864 348 1HG1 ILE 42 2HG1 ILE 42 1.869 3.089 -6.268 349 2HG1 ILE 42 1HG1 ILE 42 3.286 3.187 -5.230 350 1HG2 ILE 42 1HG2 ILE 42 2.344 0.206 -3.174 351 2HG2 ILE 42 2HG2 ILE 42 3.730 1.147 -3.724 352 3HG2 ILE 42 3HG2 ILE 42 3.048 -0.106 -4.761 353 1HD1 ILE 42 1HD1 ILE 42 4.425 1.972 -6.677 354 2HD1 ILE 42 2HD1 ILE 42 3.000 1.865 -7.710 355 3HD1 ILE 42 3HD1 ILE 42 3.287 0.640 -6.474 356 H ILE 43 H ILE 43 -1.527 1.274 -3.978 357 HA ILE 43 HA ILE 43 -2.522 3.404 -5.747 358 HB ILE 43 HB ILE 43 -4.125 1.784 -3.768 359 1HG1 ILE 43 2HG1 ILE 43 -4.961 0.897 -6.178 360 2HG1 ILE 43 1HG1 ILE 43 -3.268 1.209 -6.547 361 1HG2 ILE 43 1HG2 ILE 43 -5.524 3.508 -4.158 362 2HG2 ILE 43 2HG2 ILE 43 -5.865 2.628 -5.647 363 3HG2 ILE 43 3HG2 ILE 43 -4.715 3.964 -5.657 364 1HD1 ILE 43 1HD1 ILE 43 -4.461 -0.758 -4.655 365 2HD1 ILE 43 2HD1 ILE 43 -2.821 -0.167 -4.394 366 3HD1 ILE 43 3HD1 ILE 43 -3.232 -0.993 -5.897 367 H SER 44 H SER 44 -2.204 5.388 -4.996 368 HA SER 44 HA SER 44 -1.764 5.889 -2.202 369 1HB SER 44 2HB SER 44 -2.126 8.309 -3.711 370 2HB SER 44 1HB SER 44 -0.658 7.674 -2.969 371 HG SER 44 HG SER 44 -0.140 7.637 -5.050 372 H ILE 45 H ILE 45 -3.162 6.651 -0.720 373 HA ILE 45 HA ILE 45 -5.613 7.963 -1.555 374 HB ILE 45 HB ILE 45 -5.851 5.530 0.204 375 1HG1 ILE 45 2HG1 ILE 45 -6.373 5.712 -2.773 376 2HG1 ILE 45 1HG1 ILE 45 -5.079 4.793 -2.010 377 1HG2 ILE 45 1HG2 ILE 45 -7.725 7.483 -1.035 378 2HG2 ILE 45 2HG2 ILE 45 -7.713 6.806 0.593 379 3HG2 ILE 45 3HG2 ILE 45 -8.271 5.828 -0.763 380 1HD1 ILE 45 1HD1 ILE 45 -8.032 4.291 -1.749 381 2HD1 ILE 45 2HD1 ILE 45 -6.774 3.410 -0.882 382 3HD1 ILE 45 3HD1 ILE 45 -6.863 3.318 -2.641 383 H LYS 46 H LYS 46 -6.686 9.044 0.168 384 HA LYS 46 HA LYS 46 -5.068 10.270 2.031 385 1HB LYS 46 2HB LYS 46 -8.049 9.812 2.020 386 2HB LYS 46 1HB LYS 46 -7.251 10.779 3.254 387 1HG LYS 46 2HG LYS 46 -6.956 11.359 0.325 388 2HG LYS 46 1HG LYS 46 -8.269 12.024 1.299 389 1HD LYS 46 2HD LYS 46 -6.318 12.755 2.885 390 2HD LYS 46 1HD LYS 46 -5.337 12.576 1.429 391 1HE LYS 46 2HE LYS 46 -6.885 14.103 0.250 392 2HE LYS 46 1HE LYS 46 -7.766 14.334 1.760 393 1HZ LYS 46 1HZ LYS 46 -6.132 16.103 1.278 394 2HZ LYS 46 2HZ LYS 46 -4.888 14.964 1.398 395 3HZ LYS 46 3HZ LYS 46 -5.842 15.319 2.749 396 H GLY 47 H GLY 47 -7.702 8.172 3.159 397 1HA GLY 47 2HA GLY 47 -7.826 6.784 4.989 398 2HA GLY 47 1HA GLY 47 -6.276 6.185 4.420 399 H THR 48 H THR 48 -6.442 9.510 5.327 400 HA THR 48 HA THR 48 -5.240 10.659 6.896 401 HB THR 48 HB THR 48 -6.142 8.773 9.007 402 HG1 THR 48 HG1 THR 48 -7.964 10.313 7.476 403 1HG2 THR 48 1HG2 THR 48 -6.183 10.578 10.289 404 2HG2 THR 48 2HG2 THR 48 -7.118 11.494 9.107 405 3HG2 THR 48 3HG2 THR 48 -5.361 11.414 8.972 406 H GLN 49 H GLN 49 -3.809 8.435 5.643 407 HA GLN 49 HA GLN 49 -1.749 8.115 7.694 408 1HB GLN 49 2HB GLN 49 -1.440 5.714 6.762 409 2HB GLN 49 1HB GLN 49 -2.701 6.018 7.947 410 1HG GLN 49 2HG GLN 49 -4.168 5.123 6.561 411 2HG GLN 49 1HG GLN 49 -3.875 6.446 5.433 412 1HE2 GLN 49 1HE2 GLN 49 -4.530 3.659 4.902 413 2HE2 GLN 49 2HE2 GLN 49 -3.247 3.042 3.922 414 H SER 50 H SER 50 -2.362 7.080 4.309 415 HA SER 50 HA SER 50 -0.641 8.791 3.038 416 1HB SER 50 2HB SER 50 0.786 6.706 4.500 417 2HB SER 50 1HB SER 50 1.188 6.735 2.783 418 HG SER 50 HG SER 50 2.461 8.306 3.359 419 H ASN 51 H ASN 51 -0.675 5.278 2.990 420 HA ASN 51 HA ASN 51 -2.563 4.953 0.954 421 1HB ASN 51 2HB ASN 51 -1.140 4.476 -0.978 422 2HB ASN 51 1HB ASN 51 -0.901 6.131 -0.432 423 1HD2 ASN 51 1HD2 ASN 51 0.509 3.010 -0.812 424 2HD2 ASN 51 2HD2 ASN 51 2.126 3.455 -0.397 425 H HIS 52 H HIS 52 -1.733 2.751 -0.389 426 HA HIS 52 HA HIS 52 -0.681 0.864 1.582 427 1HB HIS 52 2HB HIS 52 -2.505 -0.694 1.274 428 2HB HIS 52 1HB HIS 52 -3.163 0.856 1.789 429 HD1 HIS 52 HD1 HIS 52 -4.560 2.185 0.052 430 HD2 HIS 52 HD2 HIS 52 -3.240 -1.521 -1.287 431 HE1 HIS 52 HE1 HIS 52 -5.876 1.716 -2.039 432 HE2 HIS 52 HE2 HIS 52 -5.136 -0.577 -2.770 433 H VAL 53 H VAL 53 0.222 -1.023 0.689 434 HA VAL 53 HA VAL 53 0.713 -0.845 -2.210 435 HB VAL 53 HB VAL 53 2.726 -0.553 -0.821 436 1HG1 VAL 53 1HG1 VAL 53 2.867 -3.369 -0.010 437 2HG1 VAL 53 2HG1 VAL 53 1.642 -2.420 0.833 438 3HG1 VAL 53 3HG1 VAL 53 3.329 -1.909 0.864 439 1HG2 VAL 53 1HG2 VAL 53 2.961 -3.223 -2.163 440 2HG2 VAL 53 2HG2 VAL 53 4.120 -1.895 -2.117 441 3HG2 VAL 53 3HG2 VAL 53 2.661 -1.759 -3.098 442 H LEU 54 H LEU 54 0.994 -2.860 -3.374 443 HA LEU 54 HA LEU 54 0.028 -5.300 -2.168 444 1HB LEU 54 2HB LEU 54 -1.642 -3.627 -3.951 445 2HB LEU 54 1HB LEU 54 -1.627 -5.346 -4.299 446 HG LEU 54 HG LEU 54 -2.446 -4.054 -1.696 447 1HD1 LEU 54 1HD1 LEU 54 -4.177 -5.754 -3.440 448 2HD1 LEU 54 2HD1 LEU 54 -3.965 -4.040 -3.799 449 3HD1 LEU 54 3HD1 LEU 54 -4.635 -4.540 -2.246 450 1HD2 LEU 54 1HD2 LEU 54 -2.101 -5.998 -0.685 451 2HD2 LEU 54 2HD2 LEU 54 -1.423 -6.657 -2.173 452 3HD2 LEU 54 3HD2 LEU 54 -3.151 -6.803 -1.851 453 H PHE 55 H PHE 55 1.078 -6.973 -3.036 454 HA PHE 55 HA PHE 55 2.931 -6.586 -5.156 455 1HB PHE 55 2HB PHE 55 3.211 -8.191 -3.238 456 2HB PHE 55 1HB PHE 55 2.008 -9.223 -4.006 457 HD1 PHE 55 HD1 PHE 55 5.291 -7.592 -4.619 458 HD2 PHE 55 HD2 PHE 55 2.656 -10.792 -5.585 459 HE1 PHE 55 HE1 PHE 55 7.060 -8.633 -5.974 460 HE2 PHE 55 HE2 PHE 55 4.421 -11.840 -6.943 461 HZ PHE 55 HZ PHE 55 6.626 -10.760 -7.138 462 H LEU 56 H LEU 56 2.929 -7.378 -7.247 463 HA LEU 56 HA LEU 56 0.337 -8.373 -8.239 464 1HB LEU 56 2HB LEU 56 1.920 -6.075 -9.053 465 2HB LEU 56 1HB LEU 56 1.597 -7.152 -10.398 466 HG LEU 56 HG LEU 56 -0.838 -7.015 -9.841 467 1HD1 LEU 56 1HD1 LEU 56 -0.605 -6.374 -7.493 468 2HD1 LEU 56 2HD1 LEU 56 -1.600 -5.224 -8.384 469 3HD1 LEU 56 3HD1 LEU 56 0.070 -4.821 -7.984 470 1HD2 LEU 56 1HD2 LEU 56 -0.763 -4.358 -10.395 471 2HD2 LEU 56 2HD2 LEU 56 -0.546 -5.637 -11.590 472 3HD2 LEU 56 3HD2 LEU 56 0.861 -4.854 -10.869 473 H SER 57 H SER 57 0.378 -10.196 -9.413 474 HA SER 57 HA SER 57 2.661 -11.806 -9.532 475 1HB SER 57 2HB SER 57 -0.062 -11.916 -10.752 476 2HB SER 57 1HB SER 57 1.176 -12.997 -11.392 477 HG SER 57 HG SER 57 0.742 -14.203 -9.738 478 H SER 58 H SER 58 0.958 -10.979 -12.525 479 HA SER 58 HA SER 58 3.285 -9.705 -13.663 480 1HB SER 58 2HB SER 58 3.290 -12.420 -13.832 481 2HB SER 58 1HB SER 58 2.434 -11.999 -15.316 482 HG SER 58 HG SER 58 5.069 -11.715 -14.687 483 H TYR 59 H TYR 59 0.320 -9.310 -13.192 484 HA TYR 59 HA TYR 59 -1.482 -8.398 -14.221 485 1HB TYR 59 2HB TYR 59 0.535 -6.846 -14.855 486 2HB TYR 59 1HB TYR 59 0.264 -7.474 -16.475 487 HD1 TYR 59 HD1 TYR 59 -2.095 -7.235 -17.455 488 HD2 TYR 59 HD2 TYR 59 -0.760 -5.081 -14.038 489 HE1 TYR 59 HE1 TYR 59 -3.896 -5.595 -17.793 490 HE2 TYR 59 HE2 TYR 59 -2.557 -3.434 -14.367 491 HH TYR 59 HH TYR 59 -4.709 -3.246 -15.435 492 H ASN 60 H ASN 60 0.252 -9.019 -17.254 493 HA ASN 60 HA ASN 60 -0.269 -10.260 -19.077 494 1HB ASN 60 2HB ASN 60 -0.688 -11.955 -16.811 495 2HB ASN 60 1HB ASN 60 -1.915 -12.321 -18.020 496 1HD2 ASN 60 1HD2 ASN 60 -0.814 -12.188 -20.353 497 2HD2 ASN 60 2HD2 ASN 60 0.577 -13.201 -20.502 498 H SER 61 H SER 61 -3.212 -11.047 -17.265 499 HA SER 61 HA SER 61 -4.960 -10.664 -19.384 500 1HB SER 61 2HB SER 61 -5.239 -11.630 -16.887 501 2HB SER 61 1HB SER 61 -6.005 -10.056 -16.673 502 HG SER 61 HG SER 61 -6.715 -12.134 -18.453 503 H VAL 62 H VAL 62 -6.784 -9.031 -19.405 504 HA VAL 62 HA VAL 62 -6.017 -6.368 -18.497 505 HB VAL 62 HB VAL 62 -6.533 -5.442 -20.798 506 1HG1 VAL 62 1HG1 VAL 62 -4.237 -5.751 -19.742 507 2HG1 VAL 62 2HG1 VAL 62 -4.293 -5.570 -21.495 508 3HG1 VAL 62 3HG1 VAL 62 -4.075 -7.167 -20.780 509 1HG2 VAL 62 1HG2 VAL 62 -7.339 -7.941 -21.401 510 2HG2 VAL 62 2HG2 VAL 62 -5.691 -7.984 -22.027 511 3HG2 VAL 62 3HG2 VAL 62 -6.822 -6.761 -22.605 512 H ASP 63 H ASP 63 -7.784 -4.751 -19.079 513 HA ASP 63 HA ASP 63 -9.950 -4.067 -18.967 514 1HB ASP 63 2HB ASP 63 -10.195 -5.522 -20.995 515 2HB ASP 63 1HB ASP 63 -10.682 -6.840 -19.933 516 H GLU 64 H GLU 64 -10.286 -7.521 -18.146 517 HA GLU 64 HA GLU 64 -12.007 -7.056 -15.967 518 1HB GLU 64 2HB GLU 64 -11.554 -9.421 -15.381 519 2HB GLU 64 1HB GLU 64 -11.959 -9.207 -17.079 520 1HG GLU 64 2HG GLU 64 -9.332 -9.062 -17.315 521 2HG GLU 64 1HG GLU 64 -9.393 -9.994 -15.820 522 H ILE 65 H ILE 65 -8.523 -7.698 -16.122 523 HA ILE 65 HA ILE 65 -8.131 -7.624 -13.307 524 HB ILE 65 HB ILE 65 -6.598 -8.742 -14.946 525 1HG1 ILE 65 2HG1 ILE 65 -5.994 -8.168 -12.565 526 2HG1 ILE 65 1HG1 ILE 65 -4.626 -8.362 -13.654 527 1HG2 ILE 65 1HG2 ILE 65 -4.884 -7.394 -16.055 528 2HG2 ILE 65 2HG2 ILE 65 -5.679 -5.924 -15.493 529 3HG2 ILE 65 3HG2 ILE 65 -6.503 -6.993 -16.627 530 1HD1 ILE 65 1HD1 ILE 65 -5.453 -6.069 -12.095 531 2HD1 ILE 65 2HD1 ILE 65 -5.184 -5.664 -13.789 532 3HD1 ILE 65 3HD1 ILE 65 -3.901 -6.426 -12.850 533 H ARG 66 H ARG 66 -7.895 -5.227 -15.882 534 HA ARG 66 HA ARG 66 -6.662 -3.174 -14.427 535 1HB ARG 66 2HB ARG 66 -6.881 -3.076 -16.847 536 2HB ARG 66 1HB ARG 66 -8.633 -3.010 -16.713 537 1HG ARG 66 2HG ARG 66 -8.484 -0.840 -15.622 538 2HG ARG 66 1HG ARG 66 -6.722 -0.908 -15.708 539 1HD ARG 66 2HD ARG 66 -6.782 -0.030 -17.745 540 2HD ARG 66 1HD ARG 66 -7.751 -1.388 -18.313 541 HE ARG 66 HE ARG 66 -8.683 1.257 -17.627 542 1HH1 ARG 66 2HH1 ARG 66 -9.571 -2.082 -18.139 543 2HH1 ARG 66 1HH1 ARG 66 -11.234 -1.720 -18.454 544 1HH2 ARG 66 1HH2 ARG 66 -10.871 1.730 -18.042 545 2HH2 ARG 66 2HH2 ARG 66 -11.972 0.443 -18.401 546 H LYS 67 H LYS 67 -10.045 -4.120 -14.714 547 HA LYS 67 HA LYS 67 -11.017 -1.879 -13.203 548 1HB LYS 67 2HB LYS 67 -12.191 -4.290 -14.471 549 2HB LYS 67 1HB LYS 67 -13.079 -3.600 -13.119 550 1HG LYS 67 2HG LYS 67 -13.735 -1.808 -14.296 551 2HG LYS 67 1HG LYS 67 -12.185 -1.654 -15.125 552 1HD LYS 67 2HD LYS 67 -13.961 -2.198 -16.704 553 2HD LYS 67 1HD LYS 67 -12.791 -3.515 -16.599 554 1HE LYS 67 2HE LYS 67 -14.284 -4.945 -15.693 555 2HE LYS 67 1HE LYS 67 -15.067 -3.685 -14.738 556 1HZ LYS 67 1HZ LYS 67 -16.553 -3.262 -16.356 557 2HZ LYS 67 2HZ LYS 67 -16.194 -4.839 -16.847 558 3HZ LYS 67 3HZ LYS 67 -15.453 -3.528 -17.614 559 H GLU 68 H GLU 68 -10.007 -5.148 -12.528 560 HA GLU 68 HA GLU 68 -11.168 -5.461 -9.989 561 1HB GLU 68 2HB GLU 68 -9.752 -7.075 -11.626 562 2HB GLU 68 1HB GLU 68 -8.511 -6.683 -10.443 563 1HG GLU 68 2HG GLU 68 -9.447 -8.610 -9.592 564 2HG GLU 68 1HG GLU 68 -10.280 -7.343 -8.693 565 H LEU 69 H LEU 69 -7.910 -4.353 -10.910 566 HA LEU 69 HA LEU 69 -7.013 -3.855 -8.292 567 1HB LEU 69 2HB LEU 69 -5.816 -3.886 -10.691 568 2HB LEU 69 1HB LEU 69 -5.990 -2.152 -10.495 569 HG LEU 69 HG LEU 69 -4.920 -2.725 -8.108 570 1HD1 LEU 69 1HD1 LEU 69 -3.490 -4.526 -8.068 571 2HD1 LEU 69 2HD1 LEU 69 -3.412 -4.641 -9.827 572 3HD1 LEU 69 3HD1 LEU 69 -4.854 -5.187 -8.970 573 1HD2 LEU 69 1HD2 LEU 69 -3.984 -1.725 -10.635 574 2HD2 LEU 69 2HD2 LEU 69 -2.690 -2.585 -9.800 575 3HD2 LEU 69 3HD2 LEU 69 -3.519 -1.251 -9.001 576 H GLU 70 H GLU 70 -8.000 -1.459 -10.755 577 HA GLU 70 HA GLU 70 -8.009 0.781 -9.158 578 1HB GLU 70 2HB GLU 70 -9.575 1.770 -10.737 579 2HB GLU 70 1HB GLU 70 -8.364 0.826 -11.594 580 1HG GLU 70 2HG GLU 70 -9.984 -1.027 -11.765 581 2HG GLU 70 1HG GLU 70 -11.196 -0.002 -10.998 582 H GLU 71 H GLU 71 -10.304 -1.827 -9.253 583 HA GLU 71 HA GLU 71 -12.419 -0.514 -7.884 584 1HB GLU 71 2HB GLU 71 -12.819 -2.523 -9.208 585 2HB GLU 71 1HB GLU 71 -11.775 -3.457 -8.146 586 1HG GLU 71 2HG GLU 71 -13.390 -2.809 -6.279 587 2HG GLU 71 1HG GLU 71 -14.481 -2.308 -7.571 588 H ALA 72 H ALA 72 -9.751 -2.608 -6.846 589 HA ALA 72 HA ALA 72 -10.517 -2.479 -4.074 590 1HB ALA 72 1HB ALA 72 -9.433 -4.468 -4.824 591 2HB ALA 72 2HB ALA 72 -8.344 -3.650 -3.703 592 3HB ALA 72 3HB ALA 72 -8.057 -3.552 -5.439 593 H GLY 73 H GLY 73 -9.195 -0.207 -6.057 594 1HA GLY 73 2HA GLY 73 -7.261 0.827 -4.135 595 2HA GLY 73 1HA GLY 73 -7.574 1.462 -5.742 596 H ALA 74 H ALA 74 -9.702 2.566 -6.040 597 HA ALA 74 HA ALA 74 -10.291 4.159 -3.642 598 1HB ALA 74 1HB ALA 74 -9.594 5.648 -5.262 599 2HB ALA 74 2HB ALA 74 -11.347 5.708 -5.435 600 3HB ALA 74 3HB ALA 74 -10.381 4.762 -6.566 601 H LYS 75 H LYS 75 -11.576 1.614 -5.317 602 HA LYS 75 HA LYS 75 -14.353 2.459 -4.926 603 1HB LYS 75 2HB LYS 75 -13.120 1.058 -6.974 604 2HB LYS 75 1HB LYS 75 -13.951 -0.199 -6.068 605 1HG LYS 75 2HG LYS 75 -15.686 2.057 -6.419 606 2HG LYS 75 1HG LYS 75 -15.026 1.552 -7.976 607 1HD LYS 75 2HD LYS 75 -15.661 -0.848 -6.897 608 2HD LYS 75 1HD LYS 75 -16.906 0.174 -6.176 609 1HE LYS 75 2HE LYS 75 -17.627 0.915 -8.349 610 2HE LYS 75 1HE LYS 75 -16.293 0.063 -9.126 611 1HZ LYS 75 1HZ LYS 75 -18.740 -0.946 -8.876 612 2HZ LYS 75 2HZ LYS 75 -18.033 -1.566 -7.471 613 3HZ LYS 75 3HZ LYS 75 -17.348 -1.901 -8.980 614 H ILE 76 H ILE 76 -15.323 -0.291 -4.705 615 HA ILE 76 HA ILE 76 -15.719 -0.604 -2.052 616 HB ILE 76 HB ILE 76 -15.309 -2.908 -3.963 617 1HG1 ILE 76 2HG1 ILE 76 -17.801 -1.320 -3.300 618 2HG1 ILE 76 1HG1 ILE 76 -16.931 -1.285 -4.829 619 1HG2 ILE 76 1HG2 ILE 76 -15.570 -4.104 -2.084 620 2HG2 ILE 76 2HG2 ILE 76 -17.269 -3.653 -2.222 621 3HG2 ILE 76 3HG2 ILE 76 -16.193 -2.726 -1.177 622 1HD1 ILE 76 1HD1 ILE 76 -18.298 -2.872 -5.531 623 2HD1 ILE 76 2HD1 ILE 76 -18.958 -3.105 -3.912 624 3HD1 ILE 76 3HD1 ILE 76 -17.501 -3.969 -4.403 625 H ASN 77 H ASN 77 -14.715 -1.462 -0.296 626 HA ASN 77 HA ASN 77 -11.954 -1.425 -0.096 627 1HB ASN 77 2HB ASN 77 -14.070 -2.730 1.602 628 2HB ASN 77 1HB ASN 77 -12.363 -2.817 2.027 629 1HD2 ASN 77 1HD2 ASN 77 -15.031 -1.297 2.831 630 2HD2 ASN 77 2HD2 ASN 77 -14.424 0.266 3.244 631 H HIS 78 H HIS 78 -10.820 -3.507 0.960 632 HA HIS 78 HA HIS 78 -10.644 -5.394 -1.217 633 1HB HIS 78 2HB HIS 78 -9.121 -5.369 1.394 634 2HB HIS 78 1HB HIS 78 -8.705 -6.272 -0.057 635 HD1 HIS 78 HD1 HIS 78 -6.927 -5.207 -1.385 636 HD2 HIS 78 HD2 HIS 78 -9.145 -2.404 0.734 637 HE1 HIS 78 HE1 HIS 78 -5.861 -2.986 -1.889 638 HE2 HIS 78 HE2 HIS 78 -7.167 -1.315 -0.529 639 H THR 79 H THR 79 -12.356 -5.201 1.709 640 HA THR 79 HA THR 79 -13.852 -6.627 2.659 641 HB THR 79 HB THR 79 -13.733 -7.594 0.122 642 HG1 THR 79 HG1 THR 79 -15.672 -7.953 0.770 643 1HG2 THR 79 1HG2 THR 79 -12.014 -9.339 1.139 644 2HG2 THR 79 2HG2 THR 79 -13.203 -9.785 -0.083 645 3HG2 THR 79 3HG2 THR 79 -13.511 -10.138 1.617 646 H THR 80 H THR 80 -13.786 -9.158 3.494 647 HA THR 80 HA THR 80 -11.975 -9.194 5.569 648 HB THR 80 HB THR 80 -13.780 -10.644 5.818 649 HG1 THR 80 HG1 THR 80 -12.224 -11.849 6.651 650 1HG2 THR 80 1HG2 THR 80 -13.213 -11.493 3.036 651 2HG2 THR 80 2HG2 THR 80 -14.746 -11.106 3.816 652 3HG2 THR 80 3HG2 THR 80 -13.960 -12.652 4.134 653 H LEU 81 H LEU 81 -10.337 -11.030 5.947 654 HA LEU 81 HA LEU 81 -8.249 -10.692 4.020 655 1HB LEU 81 2HB LEU 81 -8.431 -12.313 6.554 656 2HB LEU 81 1HB LEU 81 -6.984 -12.227 5.567 657 HG LEU 81 HG LEU 81 -7.407 -9.601 5.927 658 1HD1 LEU 81 1HD1 LEU 81 -8.511 -10.929 8.398 659 2HD1 LEU 81 2HD1 LEU 81 -9.393 -9.886 7.282 660 3HD1 LEU 81 3HD1 LEU 81 -8.084 -9.224 8.261 661 1HD2 LEU 81 1HD2 LEU 81 -5.854 -11.658 7.380 662 2HD2 LEU 81 2HD2 LEU 81 -5.956 -10.061 8.123 663 3HD2 LEU 81 3HD2 LEU 81 -5.306 -10.235 6.494 664 H LYS 82 H LYS 82 -10.735 -13.012 4.452 665 HA LYS 82 HA LYS 82 -9.558 -15.356 3.558 666 1HB LYS 82 2HB LYS 82 -11.716 -16.168 3.139 667 2HB LYS 82 1HB LYS 82 -11.947 -14.971 4.405 668 1HG LYS 82 2HG LYS 82 -12.600 -13.335 2.638 669 2HG LYS 82 1HG LYS 82 -12.540 -14.659 1.472 670 1HD LYS 82 2HD LYS 82 -14.180 -14.911 3.964 671 2HD LYS 82 1HD LYS 82 -14.808 -14.030 2.569 672 1HE LYS 82 2HE LYS 82 -15.574 -16.074 1.988 673 2HE LYS 82 1HE LYS 82 -13.942 -16.255 1.345 674 1HZ LYS 82 1HZ LYS 82 -13.280 -17.396 3.331 675 2HZ LYS 82 2HZ LYS 82 -14.663 -18.149 2.715 676 3HZ LYS 82 3HZ LYS 82 -14.786 -17.125 4.055 677 H ILE 83 H ILE 83 -10.494 -12.517 1.765 678 HA ILE 83 HA ILE 83 -10.537 -13.584 -0.823 679 HB ILE 83 HB ILE 83 -11.324 -11.316 -0.300 680 1HG1 ILE 83 2HG1 ILE 83 -9.088 -11.367 -2.339 681 2HG1 ILE 83 1HG1 ILE 83 -10.743 -11.899 -2.618 682 1HG2 ILE 83 1HG2 ILE 83 -9.312 -10.888 1.244 683 2HG2 ILE 83 2HG2 ILE 83 -9.940 -9.543 0.294 684 3HG2 ILE 83 3HG2 ILE 83 -8.479 -10.382 -0.225 685 1HD1 ILE 83 1HD1 ILE 83 -9.751 -9.110 -2.135 686 2HD1 ILE 83 2HD1 ILE 83 -11.457 -9.547 -2.054 687 3HD1 ILE 83 3HD1 ILE 83 -10.565 -9.754 -3.561 688 H LEU 84 H LEU 84 -7.859 -12.243 1.077 689 HA LEU 84 HA LEU 84 -5.875 -12.420 -0.889 690 1HB LEU 84 2HB LEU 84 -5.351 -11.167 1.032 691 2HB LEU 84 1HB LEU 84 -5.819 -12.462 2.115 692 HG LEU 84 HG LEU 84 -3.547 -13.096 0.350 693 1HD1 LEU 84 1HD1 LEU 84 -2.780 -11.439 2.660 694 2HD1 LEU 84 2HD1 LEU 84 -3.462 -10.575 1.284 695 3HD1 LEU 84 3HD1 LEU 84 -2.035 -11.589 1.069 696 1HD2 LEU 84 1HD2 LEU 84 -4.349 -14.584 2.129 697 2HD2 LEU 84 2HD2 LEU 84 -3.988 -13.338 3.323 698 3HD2 LEU 84 3HD2 LEU 84 -2.681 -14.074 2.397 699 H GLU 85 H GLU 85 -7.050 -14.780 1.461 700 HA GLU 85 HA GLU 85 -5.145 -16.786 0.950 701 1HB GLU 85 2HB GLU 85 -8.027 -17.201 1.763 702 2HB GLU 85 1HB GLU 85 -6.685 -18.305 2.028 703 1HG GLU 85 2HG GLU 85 -5.699 -16.231 3.329 704 2HG GLU 85 1HG GLU 85 -7.405 -15.808 3.459 705 H GLY 86 H GLY 86 -7.956 -15.714 -0.782 706 1HA GLY 86 2HA GLY 86 -8.203 -18.081 -2.402 707 2HA GLY 86 1HA GLY 86 -9.038 -16.554 -2.644 708 H HIS 87 H HIS 87 -7.027 -14.761 -2.994 709 HA HIS 87 HA HIS 87 -4.891 -15.530 -4.617 710 1HB HIS 87 2HB HIS 87 -5.728 -14.902 -6.856 711 2HB HIS 87 1HB HIS 87 -6.559 -16.311 -6.211 712 HD1 HIS 87 HD1 HIS 87 -7.254 -13.290 -7.927 713 HD2 HIS 87 HD2 HIS 87 -9.129 -15.379 -4.863 714 HE1 HIS 87 HE1 HIS 87 -9.626 -12.457 -7.900 715 HE2 HIS 87 HE2 HIS 87 -10.729 -13.696 -6.004 716 H LEU 88 HN LEU 88 -4.220 -13.850 -3.087 717 HA LEU 88 HA LEU 88 -5.135 -11.167 -3.376 718 1HB LEU 88 2HB LEU 88 -3.961 -12.242 -1.366 719 2HB LEU 88 1HB LEU 88 -2.468 -11.979 -2.247 720 HG LEU 88 HG LEU 88 -2.937 -10.219 -0.571 721 1HD1 LEU 88 1HD1 LEU 88 -1.870 -9.943 -3.025 722 2HD1 LEU 88 2HD1 LEU 88 -1.957 -8.640 -1.840 723 3HD1 LEU 88 3HD1 LEU 88 -3.169 -8.755 -3.114 724 1HD2 LEU 88 1HD2 LEU 88 -5.023 -9.007 -2.271 725 2HD2 LEU 88 2HD2 LEU 88 -4.825 -8.979 -0.519 726 3HD2 LEU 88 3HD2 LEU 88 -5.512 -10.401 -1.307 Start of MODEL 8 1 1H LEU 1 1H LEU 1 -15.067 19.388 -5.642 2 2H LEU 1 2H LEU 1 -14.463 20.119 -4.211 3 3H LEU 1 3H LEU 1 -14.683 18.418 -4.281 4 HA LEU 1 HA LEU 1 -12.870 19.874 -6.071 5 1HB LEU 1 2HB LEU 1 -12.662 19.387 -3.244 6 2HB LEU 1 1HB LEU 1 -11.443 18.452 -4.087 7 HG LEU 1 HG LEU 1 -10.581 20.482 -5.141 8 1HD1 LEU 1 1HD1 LEU 1 -11.479 22.584 -4.884 9 2HD1 LEU 1 2HD1 LEU 1 -12.331 22.158 -3.401 10 3HD1 LEU 1 3HD1 LEU 1 -12.934 21.591 -4.958 11 1HD2 LEU 1 1HD2 LEU 1 -10.721 21.308 -2.309 12 2HD2 LEU 1 2HD2 LEU 1 -9.322 21.057 -3.352 13 3HD2 LEU 1 3HD2 LEU 1 -10.138 19.674 -2.622 14 H PHE 2 H PHE 2 -11.339 18.436 -7.062 15 HA PHE 2 HA PHE 2 -12.511 15.915 -7.778 16 1HB PHE 2 2HB PHE 2 -9.786 16.993 -8.525 17 2HB PHE 2 1HB PHE 2 -10.673 15.708 -9.339 18 HD1 PHE 2 HD1 PHE 2 -13.217 16.561 -9.936 19 HD2 PHE 2 HD2 PHE 2 -9.714 18.962 -9.678 20 HE1 PHE 2 HE1 PHE 2 -14.249 18.217 -11.434 21 HE2 PHE 2 HE2 PHE 2 -10.738 20.623 -11.175 22 HZ PHE 2 HZ PHE 2 -13.008 20.253 -12.055 23 H ILE 3 H ILE 3 -11.938 13.900 -7.155 24 HA ILE 3 HA ILE 3 -9.955 13.705 -4.998 25 HB ILE 3 HB ILE 3 -12.203 12.927 -4.429 26 1HG1 ILE 3 2HG1 ILE 3 -10.794 10.338 -4.573 27 2HG1 ILE 3 1HG1 ILE 3 -9.855 11.660 -3.885 28 1HG2 ILE 3 1HG2 ILE 3 -13.474 11.671 -5.755 29 2HG2 ILE 3 2HG2 ILE 3 -12.183 10.499 -6.017 30 3HG2 ILE 3 3HG2 ILE 3 -12.270 11.953 -7.011 31 1HD1 ILE 3 1HD1 ILE 3 -11.991 10.120 -2.724 32 2HD1 ILE 3 2HD1 ILE 3 -12.338 11.848 -2.656 33 3HD1 ILE 3 3HD1 ILE 3 -10.845 11.219 -1.956 34 H ALA 4 H ALA 4 -8.014 13.356 -5.938 35 HA ALA 4 HA ALA 4 -7.814 11.173 -7.904 36 1HB ALA 4 1HB ALA 4 -6.182 12.298 -9.001 37 2HB ALA 4 2HB ALA 4 -5.533 13.019 -7.528 38 3HB ALA 4 3HB ALA 4 -6.985 13.689 -8.272 39 H THR 5 H THR 5 -6.568 9.434 -7.488 40 HA THR 5 HA THR 5 -5.305 9.306 -4.843 41 HB THR 5 HB THR 5 -5.305 6.804 -5.324 42 HG1 THR 5 HG1 THR 5 -6.774 6.156 -6.948 43 1HG2 THR 5 1HG2 THR 5 -7.729 8.446 -4.885 44 2HG2 THR 5 2HG2 THR 5 -6.968 7.241 -3.847 45 3HG2 THR 5 3HG2 THR 5 -7.941 6.728 -5.226 46 H LEU 6 H LEU 6 -3.310 7.919 -4.714 47 HA LEU 6 HA LEU 6 -1.473 8.757 -6.825 48 1HB LEU 6 2HB LEU 6 -1.273 8.231 -3.960 49 2HB LEU 6 1HB LEU 6 0.037 7.510 -4.875 50 HG LEU 6 HG LEU 6 0.330 9.839 -5.930 51 1HD1 LEU 6 1HD1 LEU 6 -0.852 10.907 -3.426 52 2HD1 LEU 6 2HD1 LEU 6 -1.945 10.493 -4.747 53 3HD1 LEU 6 3HD1 LEU 6 -0.657 11.670 -5.004 54 1HD2 LEU 6 1HD2 LEU 6 1.010 9.098 -3.108 55 2HD2 LEU 6 2HD2 LEU 6 1.553 10.621 -3.810 56 3HD2 LEU 6 3HD2 LEU 6 2.040 9.090 -4.538 57 H LYS 7 H LYS 7 -0.972 7.395 -8.396 58 HA LYS 7 HA LYS 7 -1.119 4.502 -7.855 59 1HB LYS 7 2HB LYS 7 -1.643 6.088 -10.359 60 2HB LYS 7 1HB LYS 7 -1.336 4.357 -10.406 61 1HG LYS 7 2HG LYS 7 -3.310 3.845 -9.306 62 2HG LYS 7 1HG LYS 7 -3.470 5.469 -8.632 63 1HD LYS 7 2HD LYS 7 -4.106 6.372 -10.731 64 2HD LYS 7 1HD LYS 7 -3.638 4.899 -11.584 65 1HE LYS 7 2HE LYS 7 -5.726 4.748 -9.459 66 2HE LYS 7 1HE LYS 7 -6.159 5.406 -11.037 67 1HZ LYS 7 1HZ LYS 7 -4.887 3.204 -11.778 68 2HZ LYS 7 2HZ LYS 7 -6.550 3.244 -11.472 69 3HZ LYS 7 3HZ LYS 7 -5.484 2.679 -10.285 70 H GLY 8 H GLY 8 0.802 3.580 -7.656 71 1HA GLY 8 2HA GLY 8 3.055 4.681 -9.219 72 2HA GLY 8 1HA GLY 8 3.230 3.906 -7.651 73 H ILE 9 H ILE 9 3.091 3.455 -11.043 74 HA ILE 9 HA ILE 9 2.693 0.599 -10.919 75 HB ILE 9 HB ILE 9 3.621 2.211 -13.293 76 1HG1 ILE 9 2HG1 ILE 9 0.921 1.634 -13.633 77 2HG1 ILE 9 1HG1 ILE 9 1.034 2.134 -11.949 78 1HG2 ILE 9 1HG2 ILE 9 2.541 0.339 -14.545 79 2HG2 ILE 9 2HG2 ILE 9 2.344 -0.503 -13.007 80 3HG2 ILE 9 3HG2 ILE 9 3.960 -0.132 -13.608 81 1HD1 ILE 9 1HD1 ILE 9 2.506 4.055 -13.153 82 2HD1 ILE 9 2HD1 ILE 9 0.783 4.186 -12.803 83 3HD1 ILE 9 3HD1 ILE 9 1.322 3.695 -14.409 84 H PHE 10 H PHE 10 4.501 0.204 -9.442 85 HA PHE 10 HA PHE 10 7.198 0.616 -10.304 86 1HB PHE 10 2HB PHE 10 5.906 -0.974 -8.100 87 2HB PHE 10 1HB PHE 10 7.625 -1.132 -8.435 88 HD1 PHE 10 HD1 PHE 10 8.338 1.655 -9.095 89 HD2 PHE 10 HD2 PHE 10 5.812 0.090 -6.050 90 HE1 PHE 10 HE1 PHE 10 8.779 3.641 -7.712 91 HE2 PHE 10 HE2 PHE 10 6.248 2.073 -4.661 92 HZ PHE 10 HZ PHE 10 7.733 3.853 -5.491 93 H THR 11 H THR 11 8.378 -0.606 -11.659 94 HA THR 11 HA THR 11 7.738 -3.424 -12.017 95 HB THR 11 HB THR 11 7.484 -3.306 -14.393 96 HG1 THR 11 HG1 THR 11 8.024 -0.536 -14.129 97 1HG2 THR 11 1HG2 THR 11 5.493 -2.607 -12.944 98 2HG2 THR 11 2HG2 THR 11 5.445 -2.234 -14.667 99 3HG2 THR 11 3HG2 THR 11 5.842 -0.970 -13.503 100 H LEU 12 H LEU 12 9.300 -4.565 -13.335 101 HA LEU 12 HA LEU 12 11.441 -5.251 -13.641 102 1HB LEU 12 2HB LEU 12 11.407 -2.425 -14.570 103 2HB LEU 12 1HB LEU 12 12.970 -3.198 -14.394 104 HG LEU 12 HG LEU 12 12.382 -4.900 -15.995 105 1HD1 LEU 12 1HD1 LEU 12 10.144 -4.575 -17.229 106 2HD1 LEU 12 2HD1 LEU 12 9.651 -3.695 -15.783 107 3HD1 LEU 12 3HD1 LEU 12 10.136 -5.386 -15.663 108 1HD2 LEU 12 1HD2 LEU 12 12.019 -2.042 -16.718 109 2HD2 LEU 12 2HD2 LEU 12 11.662 -3.261 -17.941 110 3HD2 LEU 12 3HD2 LEU 12 13.266 -3.186 -17.212 111 H LYS 13 H LYS 13 13.630 -5.151 -12.802 112 HA LYS 13 HA LYS 13 13.730 -4.716 -10.050 113 1HB LYS 13 2HB LYS 13 15.713 -5.333 -12.158 114 2HB LYS 13 1HB LYS 13 16.359 -4.623 -10.685 115 1HG LYS 13 2HG LYS 13 14.454 -6.779 -10.194 116 2HG LYS 13 1HG LYS 13 15.880 -7.287 -11.096 117 1HD LYS 13 2HD LYS 13 16.468 -7.579 -8.844 118 2HD LYS 13 1HD LYS 13 17.231 -6.056 -9.304 119 1HE LYS 13 2HE LYS 13 16.198 -5.093 -7.589 120 2HE LYS 13 1HE LYS 13 14.664 -5.383 -8.409 121 1HZ LYS 13 1HZ LYS 13 16.002 -7.221 -6.497 122 2HZ LYS 13 2HZ LYS 13 14.559 -7.553 -7.316 123 3HZ LYS 13 3HZ LYS 13 14.620 -6.293 -6.190 124 H ASP 14 H ASP 14 14.021 -2.519 -12.656 125 HA ASP 14 HA ASP 14 15.386 -0.480 -11.101 126 1HB ASP 14 2HB ASP 14 15.095 0.891 -13.176 127 2HB ASP 14 1HB ASP 14 15.988 -0.606 -13.428 128 H LEU 15 H LEU 15 12.458 -1.632 -10.805 129 HA LEU 15 HA LEU 15 10.530 0.210 -11.261 130 1HB LEU 15 2HB LEU 15 9.261 -0.740 -9.510 131 2HB LEU 15 1HB LEU 15 10.236 -2.025 -10.193 132 HG LEU 15 HG LEU 15 11.360 -0.640 -7.825 133 1HD1 LEU 15 1HD1 LEU 15 10.011 -2.058 -6.306 134 2HD1 LEU 15 2HD1 LEU 15 8.967 -2.455 -7.672 135 3HD1 LEU 15 3HD1 LEU 15 9.084 -0.789 -7.106 136 1HD2 LEU 15 1HD2 LEU 15 12.426 -2.558 -9.047 137 2HD2 LEU 15 2HD2 LEU 15 11.097 -3.567 -8.477 138 3HD2 LEU 15 3HD2 LEU 15 12.191 -2.812 -7.318 139 HA PRO 16 HA PRO 16 11.782 2.653 -7.233 140 1HB PRO 16 2HB PRO 16 14.722 2.518 -7.362 141 2HB PRO 16 1HB PRO 16 13.652 2.303 -5.978 142 1HG PRO 16 2HG PRO 16 14.952 0.228 -7.036 143 2HG PRO 16 1HG PRO 16 13.290 0.055 -6.438 144 1HD PRO 16 2HD PRO 16 14.255 0.426 -9.255 145 2HD PRO 16 1HD PRO 16 13.066 -0.734 -8.630 146 H GLU 17 H GLU 17 11.318 3.482 -9.769 147 HA GLU 17 HA GLU 17 13.286 5.096 -10.955 148 1HB GLU 17 2HB GLU 17 10.622 4.393 -11.486 149 2HB GLU 17 1HB GLU 17 10.633 6.148 -11.391 150 1HG GLU 17 2HG GLU 17 12.608 4.634 -13.063 151 2HG GLU 17 1HG GLU 17 11.016 5.087 -13.668 152 H GLU 18 H GLU 18 14.149 6.055 -8.984 153 HA GLU 18 HA GLU 18 13.787 8.722 -8.743 154 1HB GLU 18 2HB GLU 18 11.672 7.291 -7.336 155 2HB GLU 18 1HB GLU 18 12.555 8.394 -6.288 156 1HG GLU 18 2HG GLU 18 12.108 9.903 -8.540 157 2HG GLU 18 1HG GLU 18 10.633 8.950 -8.394 158 H PHE 19 H PHE 19 13.921 6.041 -6.474 159 HA PHE 19 HA PHE 19 16.679 6.358 -5.925 160 1HB PHE 19 2HB PHE 19 15.388 8.319 -4.682 161 2HB PHE 19 1HB PHE 19 15.100 7.055 -3.491 162 HD1 PHE 19 HD1 PHE 19 16.450 7.543 -1.685 163 HD2 PHE 19 HD2 PHE 19 18.081 7.740 -5.610 164 HE1 PHE 19 HE1 PHE 19 18.686 7.928 -0.733 165 HE2 PHE 19 HE2 PHE 19 20.320 8.125 -4.665 166 HZ PHE 19 HZ PHE 19 20.624 8.219 -2.223 167 H ARG 20 H ARG 20 13.908 5.559 -3.832 168 HA ARG 20 HA ARG 20 14.116 2.764 -4.135 169 1HB ARG 20 2HB ARG 20 16.242 3.060 -2.964 170 2HB ARG 20 1HB ARG 20 15.423 3.909 -1.660 171 1HG ARG 20 2HG ARG 20 14.053 1.742 -1.403 172 2HG ARG 20 1HG ARG 20 15.340 1.003 -2.358 173 1HD ARG 20 2HD ARG 20 16.325 2.681 -0.182 174 2HD ARG 20 1HD ARG 20 15.343 1.326 0.371 175 HE ARG 20 HE ARG 20 16.984 -0.128 -0.333 176 1HH1 ARG 20 2HH1 ARG 20 17.686 3.081 -1.517 177 2HH1 ARG 20 1HH1 ARG 20 19.289 2.675 -2.031 178 1HH2 ARG 20 1HH2 ARG 20 19.092 -0.661 -1.011 179 2HH2 ARG 20 2HH2 ARG 20 20.085 0.551 -1.746 180 HA PRO 21 HA PRO 21 10.175 4.029 -2.245 181 1HB PRO 21 2HB PRO 21 8.735 1.948 -3.213 182 2HB PRO 21 1HB PRO 21 9.123 3.374 -4.181 183 1HG PRO 21 2HG PRO 21 10.443 0.689 -4.148 184 2HG PRO 21 1HG PRO 21 10.019 1.710 -5.534 185 1HD PRO 21 2HD PRO 21 12.533 1.571 -4.522 186 2HD PRO 21 1HD PRO 21 11.883 3.036 -5.287 187 H PHE 22 H PHE 22 8.396 2.244 -1.310 188 HA PHE 22 HA PHE 22 9.752 1.174 1.000 189 1HB PHE 22 2HB PHE 22 6.857 0.642 0.528 190 2HB PHE 22 1HB PHE 22 7.690 1.084 2.015 191 HD1 PHE 22 HD1 PHE 22 8.513 3.496 2.232 192 HD2 PHE 22 HD2 PHE 22 5.695 2.233 -0.696 193 HE1 PHE 22 HE1 PHE 22 7.762 5.823 1.956 194 HE2 PHE 22 HE2 PHE 22 4.939 4.556 -0.977 195 HZ PHE 22 HZ PHE 22 5.973 6.356 0.349 196 H VAL 23 H VAL 23 7.892 -0.129 -1.724 197 HA VAL 23 HA VAL 23 7.826 -2.801 -0.968 198 HB VAL 23 HB VAL 23 6.553 -1.925 -2.866 199 1HG1 VAL 23 1HG1 VAL 23 7.679 -0.525 -4.207 200 2HG1 VAL 23 2HG1 VAL 23 8.165 -1.991 -5.057 201 3HG1 VAL 23 3HG1 VAL 23 9.235 -1.275 -3.851 202 1HG2 VAL 23 1HG2 VAL 23 8.186 -3.971 -4.217 203 2HG2 VAL 23 2HG2 VAL 23 6.454 -3.933 -3.888 204 3HG2 VAL 23 3HG2 VAL 23 7.582 -4.406 -2.618 205 H ASP 24 H ASP 24 10.528 -0.921 -1.933 206 HA ASP 24 HA ASP 24 12.217 -2.626 -3.221 207 1HB ASP 24 2HB ASP 24 12.560 -0.195 -2.274 208 2HB ASP 24 1HB ASP 24 13.318 -1.048 -0.932 209 H TYR 25 H TYR 25 11.902 -2.416 0.340 210 HA TYR 25 HA TYR 25 13.702 -4.437 0.957 211 1HB TYR 25 2HB TYR 25 12.633 -4.583 3.122 212 2HB TYR 25 1HB TYR 25 12.687 -2.898 2.624 213 HD1 TYR 25 HD1 TYR 25 10.786 -1.628 2.891 214 HD2 TYR 25 HD2 TYR 25 10.376 -5.844 2.480 215 HE1 TYR 25 HE1 TYR 25 8.369 -1.426 3.288 216 HE2 TYR 25 HE2 TYR 25 7.956 -5.650 2.869 217 HH TYR 25 HH TYR 25 6.503 -2.777 4.020 218 H LYS 26 H LYS 26 10.445 -4.653 -0.237 219 HA LYS 26 HA LYS 26 10.059 -7.403 0.425 220 1HB LYS 26 2HB LYS 26 8.207 -5.780 -0.059 221 2HB LYS 26 1HB LYS 26 8.687 -5.815 -1.751 222 1HG LYS 26 2HG LYS 26 7.829 -7.885 -2.099 223 2HG LYS 26 1HG LYS 26 8.142 -8.415 -0.445 224 1HD LYS 26 2HD LYS 26 5.757 -8.232 -0.804 225 2HD LYS 26 1HD LYS 26 6.284 -6.988 0.331 226 1HE LYS 26 2HE LYS 26 6.318 -6.178 -2.490 227 2HE LYS 26 1HE LYS 26 4.717 -6.541 -1.847 228 1HZ LYS 26 1HZ LYS 26 6.659 -4.620 -0.678 229 2HZ LYS 26 2HZ LYS 26 5.129 -4.974 -0.050 230 3HZ LYS 26 3HZ LYS 26 5.269 -4.214 -1.554 231 H ALA 27 H ALA 27 11.730 -5.717 -2.075 232 HA ALA 27 HA ALA 27 11.711 -7.846 -3.990 233 1HB ALA 27 1HB ALA 27 12.320 -5.194 -4.122 234 2HB ALA 27 2HB ALA 27 12.722 -6.383 -5.361 235 3HB ALA 27 3HB ALA 27 13.924 -5.927 -4.153 236 H GLY 28 H GLY 28 13.665 -6.990 -1.230 237 1HA GLY 28 2HA GLY 28 15.221 -9.443 -1.677 238 2HA GLY 28 1HA GLY 28 16.085 -7.940 -1.397 239 H LEU 29 H LEU 29 13.069 -8.793 0.202 240 HA LEU 29 HA LEU 29 13.995 -8.179 2.743 241 1HB LEU 29 2HB LEU 29 12.002 -9.173 3.624 242 2HB LEU 29 1HB LEU 29 11.609 -8.334 2.140 243 HG LEU 29 HG LEU 29 10.359 -10.363 2.201 244 1HD1 LEU 29 1HD1 LEU 29 12.662 -10.801 0.315 245 2HD1 LEU 29 2HD1 LEU 29 11.317 -9.700 0.025 246 3HD1 LEU 29 3HD1 LEU 29 11.023 -11.432 0.163 247 1HD2 LEU 29 1HD2 LEU 29 12.614 -12.226 2.137 248 2HD2 LEU 29 2HD2 LEU 29 11.068 -12.337 2.976 249 3HD2 LEU 29 3HD2 LEU 29 12.387 -11.402 3.680 250 H GLU 30 H GLU 30 14.462 -11.020 0.905 251 HA GLU 30 HA GLU 30 16.443 -12.071 2.533 252 1HB GLU 30 2HB GLU 30 14.527 -12.503 4.092 253 2HB GLU 30 1HB GLU 30 13.836 -13.565 2.873 254 1HG GLU 30 2HG GLU 30 16.501 -14.391 3.262 255 2HG GLU 30 1HG GLU 30 15.799 -14.137 4.858 256 H LYS 31 H LYS 31 16.089 -11.651 -0.161 257 HA LYS 31 HA LYS 31 16.366 -12.614 -2.203 258 1HB LYS 31 2HB LYS 31 18.228 -13.710 -0.884 259 2HB LYS 31 1HB LYS 31 17.167 -15.097 -0.685 260 1HG LYS 31 2HG LYS 31 17.386 -14.262 -3.457 261 2HG LYS 31 1HG LYS 31 18.946 -14.680 -2.744 262 1HD LYS 31 2HD LYS 31 17.416 -16.717 -1.831 263 2HD LYS 31 1HD LYS 31 16.630 -16.387 -3.376 264 1HE LYS 31 2HE LYS 31 18.462 -17.002 -4.597 265 2HE LYS 31 1HE LYS 31 19.597 -16.553 -3.323 266 1HZ LYS 31 1HZ LYS 31 18.581 -18.533 -2.078 267 2HZ LYS 31 2HZ LYS 31 19.669 -18.852 -3.333 268 3HZ LYS 31 3HZ LYS 31 18.007 -19.022 -3.592 269 H LYS 32 H LYS 32 13.789 -12.623 -1.262 270 HA LYS 32 HA LYS 32 12.577 -15.206 -1.539 271 1HB LYS 32 2HB LYS 32 11.557 -13.475 -0.141 272 2HB LYS 32 1HB LYS 32 11.347 -12.444 -1.549 273 1HG LYS 32 2HG LYS 32 9.976 -14.449 -2.480 274 2HG LYS 32 1HG LYS 32 9.875 -14.922 -0.783 275 1HD LYS 32 2HD LYS 32 9.241 -12.303 -0.598 276 2HD LYS 32 1HD LYS 32 8.612 -12.669 -2.205 277 1HE LYS 32 2HE LYS 32 7.958 -14.701 -0.216 278 2HE LYS 32 1HE LYS 32 7.309 -13.109 0.176 279 1HZ LYS 32 1HZ LYS 32 5.920 -14.678 -1.274 280 2HZ LYS 32 2HZ LYS 32 6.972 -14.245 -2.525 281 3HZ LYS 32 3HZ LYS 32 6.049 -13.059 -1.749 282 H LYS 33 H LYS 33 12.137 -12.235 -3.466 283 HA LYS 33 HA LYS 33 12.316 -13.801 -5.913 284 1HB LYS 33 2HB LYS 33 10.168 -12.697 -6.736 285 2HB LYS 33 1HB LYS 33 9.994 -14.015 -5.586 286 1HG LYS 33 2HG LYS 33 8.484 -12.371 -4.880 287 2HG LYS 33 1HG LYS 33 9.861 -12.234 -3.784 288 1HD LYS 33 2HD LYS 33 10.400 -10.175 -4.521 289 2HD LYS 33 1HD LYS 33 10.034 -10.572 -6.201 290 1HE LYS 33 2HE LYS 33 7.709 -10.209 -5.864 291 2HE LYS 33 1HE LYS 33 7.912 -10.115 -4.115 292 1HZ LYS 33 1HZ LYS 33 9.482 -8.142 -4.787 293 2HZ LYS 33 2HZ LYS 33 7.812 -7.916 -4.636 294 3HZ LYS 33 3HZ LYS 33 8.503 -8.112 -6.168 295 H LEU 34 H LEU 34 12.986 -12.639 -7.672 296 HA LEU 34 HA LEU 34 13.768 -9.863 -7.136 297 1HB LEU 34 2HB LEU 34 14.737 -11.878 -9.162 298 2HB LEU 34 1HB LEU 34 15.232 -10.196 -9.166 299 HG LEU 34 HG LEU 34 16.933 -11.580 -8.123 300 1HD1 LEU 34 1HD1 LEU 34 17.195 -10.366 -6.048 301 2HD1 LEU 34 2HD1 LEU 34 15.490 -9.917 -6.066 302 3HD1 LEU 34 3HD1 LEU 34 16.581 -9.288 -7.301 303 1HD2 LEU 34 1HD2 LEU 34 15.038 -13.208 -7.284 304 2HD2 LEU 34 2HD2 LEU 34 15.158 -12.223 -5.826 305 3HD2 LEU 34 3HD2 LEU 34 16.577 -13.077 -6.432 306 H SER 35 H SER 35 13.631 -8.336 -9.009 307 HA SER 35 HA SER 35 11.024 -8.606 -10.220 308 1HB SER 35 2HB SER 35 12.778 -6.381 -9.521 309 2HB SER 35 1HB SER 35 12.039 -6.196 -11.111 310 HG SER 35 HG SER 35 10.914 -5.607 -8.901 311 H ASP 36 H ASP 36 13.578 -6.889 -11.913 312 HA ASP 36 HA ASP 36 14.454 -7.135 -13.997 313 1HB ASP 36 2HB ASP 36 14.833 -9.566 -12.769 314 2HB ASP 36 1HB ASP 36 13.976 -10.027 -14.236 315 H ASP 37 H ASP 37 12.052 -9.750 -13.961 316 HA ASP 37 HA ASP 37 10.667 -8.410 -16.188 317 1HB ASP 37 2HB ASP 37 11.704 -10.559 -16.829 318 2HB ASP 37 1HB ASP 37 10.786 -11.371 -15.564 319 H ASP 38 H ASP 38 10.449 -8.843 -12.981 320 HA ASP 38 HA ASP 38 7.701 -9.687 -12.759 321 1HB ASP 38 2HB ASP 38 9.772 -9.835 -11.059 322 2HB ASP 38 1HB ASP 38 9.070 -8.319 -10.501 323 H GLU 39 H GLU 39 6.526 -8.073 -10.974 324 HA GLU 39 HA GLU 39 6.754 -5.298 -11.683 325 1HB GLU 39 2HB GLU 39 4.639 -7.025 -12.865 326 2HB GLU 39 1HB GLU 39 4.171 -5.416 -12.333 327 1HG GLU 39 2HG GLU 39 6.087 -4.542 -13.729 328 2HG GLU 39 1HG GLU 39 6.196 -6.162 -14.416 329 H ILE 40 H ILE 40 5.450 -3.925 -10.384 330 HA ILE 40 HA ILE 40 4.009 -5.229 -8.183 331 HB ILE 40 HB ILE 40 5.956 -2.963 -7.751 332 1HG1 ILE 40 2HG1 ILE 40 7.114 -5.069 -8.375 333 2HG1 ILE 40 1HG1 ILE 40 7.443 -4.582 -6.715 334 1HG2 ILE 40 1HG2 ILE 40 3.926 -3.271 -6.235 335 2HG2 ILE 40 2HG2 ILE 40 5.509 -3.175 -5.463 336 3HG2 ILE 40 3HG2 ILE 40 4.724 -4.740 -5.671 337 1HD1 ILE 40 1HD1 ILE 40 6.852 -6.608 -6.068 338 2HD1 ILE 40 2HD1 ILE 40 6.343 -7.027 -7.703 339 3HD1 ILE 40 3HD1 ILE 40 5.206 -6.260 -6.595 340 H ALA 41 H ALA 41 2.126 -4.265 -7.685 341 HA ALA 41 HA ALA 41 1.614 -1.599 -8.836 342 1HB ALA 41 1HB ALA 41 0.142 -2.815 -10.057 343 2HB ALA 41 2HB ALA 41 -0.866 -2.551 -8.635 344 3HB ALA 41 3HB ALA 41 -0.005 -4.077 -8.833 345 H ILE 42 H ILE 42 1.460 -0.091 -7.338 346 HA ILE 42 HA ILE 42 0.031 -0.701 -4.841 347 HB ILE 42 HB ILE 42 2.574 0.926 -5.028 348 1HG1 ILE 42 2HG1 ILE 42 2.564 -1.346 -3.206 349 2HG1 ILE 42 1HG1 ILE 42 2.277 -1.840 -4.871 350 1HG2 ILE 42 1HG2 ILE 42 0.970 1.796 -3.381 351 2HG2 ILE 42 2HG2 ILE 42 2.418 1.140 -2.617 352 3HG2 ILE 42 3HG2 ILE 42 0.919 0.211 -2.610 353 1HD1 ILE 42 1HD1 ILE 42 4.699 -1.679 -3.905 354 2HD1 ILE 42 2HD1 ILE 42 4.515 0.030 -4.301 355 3HD1 ILE 42 3HD1 ILE 42 4.354 -1.190 -5.564 356 H ILE 43 H ILE 43 -1.379 0.853 -4.169 357 HA ILE 43 HA ILE 43 -1.298 3.473 -5.480 358 HB ILE 43 HB ILE 43 -3.856 1.894 -5.259 359 1HG1 ILE 43 2HG1 ILE 43 -3.396 2.126 -7.934 360 2HG1 ILE 43 1HG1 ILE 43 -1.756 1.898 -7.333 361 1HG2 ILE 43 1HG2 ILE 43 -3.531 4.570 -5.463 362 2HG2 ILE 43 2HG2 ILE 43 -4.922 3.690 -6.095 363 3HG2 ILE 43 3HG2 ILE 43 -3.588 4.115 -7.166 364 1HD1 ILE 43 1HD1 ILE 43 -4.106 0.056 -7.026 365 2HD1 ILE 43 2HD1 ILE 43 -2.602 -0.135 -6.124 366 3HD1 ILE 43 3HD1 ILE 43 -2.593 -0.237 -7.884 367 H SER 44 H SER 44 -1.983 5.156 -4.247 368 HA SER 44 HA SER 44 -2.532 4.567 -1.441 369 1HB SER 44 2HB SER 44 -0.851 6.376 -2.539 370 2HB SER 44 1HB SER 44 -2.287 7.380 -2.341 371 HG SER 44 HG SER 44 -2.301 6.592 -0.113 372 H ILE 45 H ILE 45 -4.459 4.872 -0.500 373 HA ILE 45 HA ILE 45 -6.688 5.686 -2.170 374 HB ILE 45 HB ILE 45 -6.999 4.985 0.721 375 1HG1 ILE 45 2HG1 ILE 45 -5.534 3.236 0.015 376 2HG1 ILE 45 1HG1 ILE 45 -7.163 2.568 -0.010 377 1HG2 ILE 45 1HG2 ILE 45 -8.639 4.873 -1.762 378 2HG2 ILE 45 2HG2 ILE 45 -9.051 5.495 -0.163 379 3HG2 ILE 45 3HG2 ILE 45 -8.996 3.754 -0.445 380 1HD1 ILE 45 1HD1 ILE 45 -5.244 2.752 -2.119 381 2HD1 ILE 45 2HD1 ILE 45 -6.714 3.617 -2.569 382 3HD1 ILE 45 3HD1 ILE 45 -6.799 1.921 -2.091 383 H LYS 46 H LYS 46 -5.777 6.491 1.184 384 HA LYS 46 HA LYS 46 -6.995 9.126 0.814 385 1HB LYS 46 2HB LYS 46 -6.405 7.401 3.173 386 2HB LYS 46 1HB LYS 46 -6.465 9.143 3.410 387 1HG LYS 46 2HG LYS 46 -8.714 7.995 1.902 388 2HG LYS 46 1HG LYS 46 -8.600 7.511 3.595 389 1HD LYS 46 2HD LYS 46 -9.665 9.425 4.051 390 2HD LYS 46 1HD LYS 46 -8.131 10.221 3.694 391 1HE LYS 46 2HE LYS 46 -8.900 11.095 1.777 392 2HE LYS 46 1HE LYS 46 -9.727 9.606 1.322 393 1HZ LYS 46 1HZ LYS 46 -10.902 11.098 3.521 394 2HZ LYS 46 2HZ LYS 46 -11.651 10.292 2.236 395 3HZ LYS 46 3HZ LYS 46 -10.996 11.833 1.999 396 H GLY 47 H GLY 47 -3.928 7.579 1.235 397 1HA GLY 47 2HA GLY 47 -1.813 8.474 0.963 398 2HA GLY 47 1HA GLY 47 -2.552 10.049 0.719 399 H THR 48 H THR 48 -3.674 10.845 2.870 400 HA THR 48 HA THR 48 -1.548 11.153 4.761 401 HB THR 48 HB THR 48 -2.908 13.063 4.401 402 HG1 THR 48 HG1 THR 48 -3.743 13.440 6.494 403 1HG2 THR 48 1HG2 THR 48 -5.227 11.236 4.855 404 2HG2 THR 48 2HG2 THR 48 -4.931 12.359 3.528 405 3HG2 THR 48 3HG2 THR 48 -5.371 12.974 5.122 406 H GLN 49 H GLN 49 -4.399 9.178 4.520 407 HA GLN 49 HA GLN 49 -4.273 8.380 7.311 408 1HB GLN 49 2HB GLN 49 -6.062 7.360 5.098 409 2HB GLN 49 1HB GLN 49 -6.241 7.026 6.814 410 1HG GLN 49 2HG GLN 49 -6.291 9.831 5.777 411 2HG GLN 49 1HG GLN 49 -7.732 8.817 5.742 412 1HE2 GLN 49 1HE2 GLN 49 -8.845 8.453 7.587 413 2HE2 GLN 49 2HE2 GLN 49 -8.442 9.150 9.116 414 H SER 50 H SER 50 -4.263 6.611 4.199 415 HA SER 50 HA SER 50 -1.935 5.142 4.748 416 1HB SER 50 2HB SER 50 -2.692 3.055 5.517 417 2HB SER 50 1HB SER 50 -3.605 4.209 6.489 418 HG SER 50 HG SER 50 -5.284 3.957 4.820 419 H ASN 51 H ASN 51 -1.859 3.076 3.324 420 HA ASN 51 HA ASN 51 -3.464 3.413 0.892 421 1HB ASN 51 2HB ASN 51 -1.458 3.177 -0.512 422 2HB ASN 51 1HB ASN 51 -1.357 4.609 0.506 423 1HD2 ASN 51 1HD2 ASN 51 0.170 4.716 2.109 424 2HD2 ASN 51 2HD2 ASN 51 1.452 3.570 2.265 425 H HIS 52 H HIS 52 -2.457 1.484 -0.692 426 HA HIS 52 HA HIS 52 -2.391 -0.956 0.939 427 1HB HIS 52 2HB HIS 52 -4.142 -1.976 -0.166 428 2HB HIS 52 1HB HIS 52 -4.698 -0.308 -0.140 429 HD1 HIS 52 HD1 HIS 52 -3.190 -2.858 -2.472 430 HD2 HIS 52 HD2 HIS 52 -5.080 0.838 -2.620 431 HE1 HIS 52 HE1 HIS 52 -3.649 -2.435 -4.909 432 HE2 HIS 52 HE2 HIS 52 -4.873 -0.235 -4.964 433 H VAL 53 H VAL 53 -1.202 -2.651 0.127 434 HA VAL 53 HA VAL 53 0.472 -2.007 -2.208 435 HB VAL 53 HB VAL 53 1.061 -3.988 -0.002 436 1HG1 VAL 53 1HG1 VAL 53 3.444 -3.414 -1.082 437 2HG1 VAL 53 2HG1 VAL 53 2.425 -3.202 -2.505 438 3HG1 VAL 53 3HG1 VAL 53 2.428 -4.741 -1.643 439 1HG2 VAL 53 1HG2 VAL 53 1.023 -1.305 0.334 440 2HG2 VAL 53 2HG2 VAL 53 2.676 -1.538 -0.232 441 3HG2 VAL 53 3HG2 VAL 53 2.106 -2.394 1.201 442 H LEU 54 H LEU 54 0.479 -3.314 -3.952 443 HA LEU 54 HA LEU 54 -0.905 -5.902 -3.745 444 1HB LEU 54 2HB LEU 54 -1.904 -3.684 -5.058 445 2HB LEU 54 1HB LEU 54 -1.165 -4.611 -6.348 446 HG LEU 54 HG LEU 54 -3.468 -5.231 -6.221 447 1HD1 LEU 54 1HD1 LEU 54 -3.226 -7.499 -6.257 448 2HD1 LEU 54 2HD1 LEU 54 -2.240 -7.531 -4.796 449 3HD1 LEU 54 3HD1 LEU 54 -1.532 -7.015 -6.327 450 1HD2 LEU 54 1HD2 LEU 54 -3.383 -4.565 -3.620 451 2HD2 LEU 54 2HD2 LEU 54 -3.329 -6.323 -3.484 452 3HD2 LEU 54 3HD2 LEU 54 -4.665 -5.544 -4.332 453 H PHE 55 H PHE 55 0.116 -7.583 -4.647 454 HA PHE 55 HA PHE 55 2.673 -7.075 -5.960 455 1HB PHE 55 2HB PHE 55 2.702 -8.652 -4.110 456 2HB PHE 55 1HB PHE 55 1.449 -9.620 -4.876 457 HD1 PHE 55 HD1 PHE 55 4.485 -8.105 -6.393 458 HD2 PHE 55 HD2 PHE 55 2.461 -11.671 -5.253 459 HE1 PHE 55 HE1 PHE 55 6.213 -9.443 -7.523 460 HE2 PHE 55 HE2 PHE 55 4.186 -13.016 -6.379 461 HZ PHE 55 HZ PHE 55 6.066 -11.902 -7.516 462 H LEU 56 H LEU 56 3.061 -7.470 -8.062 463 HA LEU 56 HA LEU 56 0.859 -8.624 -9.640 464 1HB LEU 56 2HB LEU 56 3.013 -6.689 -10.495 465 2HB LEU 56 1HB LEU 56 1.774 -7.350 -11.544 466 HG LEU 56 HG LEU 56 1.355 -5.484 -9.210 467 1HD1 LEU 56 1HD1 LEU 56 0.223 -4.316 -11.362 468 2HD1 LEU 56 2HD1 LEU 56 1.565 -5.167 -12.126 469 3HD1 LEU 56 3HD1 LEU 56 1.877 -4.013 -10.831 470 1HD2 LEU 56 1HD2 LEU 56 -1.042 -5.527 -10.250 471 2HD2 LEU 56 2HD2 LEU 56 -0.554 -6.763 -9.090 472 3HD2 LEU 56 3HD2 LEU 56 -0.551 -7.124 -10.815 473 H SER 57 H SER 57 1.712 -10.758 -9.166 474 HA SER 57 HA SER 57 4.294 -11.607 -9.850 475 1HB SER 57 2HB SER 57 2.888 -13.874 -10.214 476 2HB SER 57 1HB SER 57 3.275 -13.237 -8.615 477 HG SER 57 HG SER 57 0.899 -13.712 -9.575 478 H SER 58 H SER 58 1.479 -10.988 -11.779 479 HA SER 58 HA SER 58 3.031 -11.363 -14.196 480 1HB SER 58 2HB SER 58 2.027 -13.601 -13.766 481 2HB SER 58 1HB SER 58 0.428 -12.861 -13.821 482 HG SER 58 HG SER 58 1.087 -13.793 -15.834 483 H TYR 59 H TYR 59 -0.394 -11.024 -13.250 484 HA TYR 59 HA TYR 59 -2.013 -9.566 -13.918 485 1HB TYR 59 2HB TYR 59 -0.412 -8.126 -12.538 486 2HB TYR 59 1HB TYR 59 0.185 -7.507 -14.074 487 HD1 TYR 59 HD1 TYR 59 -2.711 -7.640 -11.806 488 HD2 TYR 59 HD2 TYR 59 -1.121 -5.969 -15.381 489 HE1 TYR 59 HE1 TYR 59 -4.532 -5.987 -11.836 490 HE2 TYR 59 HE2 TYR 59 -2.938 -4.311 -15.421 491 HH TYR 59 HH TYR 59 -4.615 -3.367 -13.106 492 H ASN 60 H ASN 60 -2.404 -10.544 -15.942 493 HA ASN 60 HA ASN 60 -1.099 -9.317 -18.262 494 1HB ASN 60 2HB ASN 60 -2.311 -11.173 -19.517 495 2HB ASN 60 1HB ASN 60 -1.041 -11.682 -18.408 496 1HD2 ASN 60 1HD2 ASN 60 -1.522 -13.204 -16.995 497 2HD2 ASN 60 2HD2 ASN 60 -3.114 -13.708 -16.552 498 H SER 61 H SER 61 -2.104 -7.799 -19.403 499 HA SER 61 HA SER 61 -4.479 -6.601 -18.746 500 1HB SER 61 2HB SER 61 -3.570 -6.749 -21.613 501 2HB SER 61 1HB SER 61 -4.338 -5.403 -20.769 502 HG SER 61 HG SER 61 -2.364 -5.358 -19.458 503 H VAL 62 H VAL 62 -6.525 -7.224 -18.793 504 HA VAL 62 HA VAL 62 -7.678 -8.588 -21.009 505 HB VAL 62 HB VAL 62 -6.567 -10.495 -19.896 506 1HG1 VAL 62 1HG1 VAL 62 -8.299 -9.680 -17.576 507 2HG1 VAL 62 2HG1 VAL 62 -6.545 -9.860 -17.617 508 3HG1 VAL 62 3HG1 VAL 62 -7.580 -11.283 -17.726 509 1HG2 VAL 62 1HG2 VAL 62 -9.163 -11.449 -19.331 510 2HG2 VAL 62 2HG2 VAL 62 -8.226 -11.653 -20.810 511 3HG2 VAL 62 3HG2 VAL 62 -9.315 -10.278 -20.640 512 H ASP 63 H ASP 63 -8.084 -6.207 -19.340 513 HA ASP 63 HA ASP 63 -9.863 -4.971 -18.640 514 1HB ASP 63 2HB ASP 63 -11.078 -6.339 -20.422 515 2HB ASP 63 1HB ASP 63 -11.639 -7.364 -19.104 516 H GLU 64 H GLU 64 -10.392 -8.334 -17.547 517 HA GLU 64 HA GLU 64 -11.551 -7.739 -15.098 518 1HB GLU 64 2HB GLU 64 -11.451 -9.996 -16.154 519 2HB GLU 64 1HB GLU 64 -9.756 -10.096 -15.699 520 1HG GLU 64 2HG GLU 64 -10.701 -11.236 -13.974 521 2HG GLU 64 1HG GLU 64 -10.706 -9.607 -13.301 522 H ILE 65 H ILE 65 -8.153 -7.950 -16.009 523 HA ILE 65 HA ILE 65 -7.089 -7.833 -13.395 524 HB ILE 65 HB ILE 65 -5.004 -7.003 -14.513 525 1HG1 ILE 65 2HG1 ILE 65 -5.476 -7.529 -17.184 526 2HG1 ILE 65 1HG1 ILE 65 -6.910 -6.629 -16.700 527 1HG2 ILE 65 1HG2 ILE 65 -4.571 -9.100 -15.700 528 2HG2 ILE 65 2HG2 ILE 65 -6.300 -9.451 -15.699 529 3HG2 ILE 65 3HG2 ILE 65 -5.417 -9.373 -14.176 530 1HD1 ILE 65 1HD1 ILE 65 -5.246 -4.952 -15.688 531 2HD1 ILE 65 2HD1 ILE 65 -5.454 -4.991 -17.438 532 3HD1 ILE 65 3HD1 ILE 65 -4.052 -5.763 -16.700 533 H ARG 66 H ARG 66 -8.095 -5.352 -15.677 534 HA ARG 66 HA ARG 66 -7.033 -3.148 -14.226 535 1HB ARG 66 2HB ARG 66 -9.173 -3.363 -16.342 536 2HB ARG 66 1HB ARG 66 -8.697 -1.828 -15.630 537 1HG ARG 66 2HG ARG 66 -6.378 -2.248 -16.396 538 2HG ARG 66 1HG ARG 66 -6.954 -3.703 -17.211 539 1HD ARG 66 2HD ARG 66 -6.786 -1.826 -18.761 540 2HD ARG 66 1HD ARG 66 -8.457 -2.356 -18.578 541 HE ARG 66 HE ARG 66 -7.309 0.164 -17.699 542 1HH1 ARG 66 2HH1 ARG 66 -10.048 -2.005 -17.616 543 2HH1 ARG 66 1HH1 ARG 66 -11.162 -0.773 -17.133 544 1HH2 ARG 66 1HH2 ARG 66 -8.778 1.780 -17.060 545 2HH2 ARG 66 2HH2 ARG 66 -10.443 1.373 -16.817 546 H LYS 67 H LYS 67 -10.327 -4.466 -14.527 547 HA LYS 67 HA LYS 67 -11.609 -2.740 -12.766 548 1HB LYS 67 2HB LYS 67 -12.191 -5.647 -13.354 549 2HB LYS 67 1HB LYS 67 -13.287 -4.565 -12.505 550 1HG LYS 67 2HG LYS 67 -13.751 -3.330 -14.406 551 2HG LYS 67 1HG LYS 67 -12.282 -3.859 -15.229 552 1HD LYS 67 2HD LYS 67 -13.701 -5.233 -16.321 553 2HD LYS 67 1HD LYS 67 -13.525 -6.231 -14.875 554 1HE LYS 67 2HE LYS 67 -15.506 -4.615 -14.065 555 2HE LYS 67 1HE LYS 67 -15.816 -4.606 -15.800 556 1HZ LYS 67 1HZ LYS 67 -16.111 -6.760 -13.878 557 2HZ LYS 67 2HZ LYS 67 -15.457 -7.209 -15.371 558 3HZ LYS 67 3HZ LYS 67 -16.970 -6.454 -15.303 559 H GLU 68 H GLU 68 -9.565 -5.488 -12.129 560 HA GLU 68 HA GLU 68 -10.319 -5.938 -9.442 561 1HB GLU 68 2HB GLU 68 -8.817 -7.332 -11.117 562 2HB GLU 68 1HB GLU 68 -7.517 -6.433 -10.346 563 1HG GLU 68 2HG GLU 68 -7.649 -8.410 -9.132 564 2HG GLU 68 1HG GLU 68 -8.511 -7.236 -8.137 565 H LEU 69 H LEU 69 -7.720 -4.003 -10.894 566 HA LEU 69 HA LEU 69 -6.544 -3.122 -8.515 567 1HB LEU 69 2HB LEU 69 -6.079 -2.761 -11.200 568 2HB LEU 69 1HB LEU 69 -6.557 -1.154 -10.688 569 HG LEU 69 HG LEU 69 -4.788 -1.361 -8.866 570 1HD1 LEU 69 1HD1 LEU 69 -3.339 -3.090 -8.798 571 2HD1 LEU 69 2HD1 LEU 69 -3.372 -3.329 -10.545 572 3HD1 LEU 69 3HD1 LEU 69 -4.682 -3.955 -9.544 573 1HD2 LEU 69 1HD2 LEU 69 -4.463 0.061 -10.785 574 2HD2 LEU 69 2HD2 LEU 69 -3.986 -1.321 -11.772 575 3HD2 LEU 69 3HD2 LEU 69 -2.961 -0.795 -10.437 576 H GLU 70 H GLU 70 -8.688 -1.194 -10.627 577 HA GLU 70 HA GLU 70 -9.129 0.928 -8.949 578 1HB GLU 70 2HB GLU 70 -11.479 0.976 -10.068 579 2HB GLU 70 1HB GLU 70 -10.046 1.205 -11.058 580 1HG GLU 70 2HG GLU 70 -10.613 -1.576 -10.944 581 2HG GLU 70 1HG GLU 70 -12.100 -0.718 -11.336 582 H GLU 71 H GLU 71 -10.552 -2.265 -8.810 583 HA GLU 71 HA GLU 71 -12.622 -1.709 -6.978 584 1HB GLU 71 2HB GLU 71 -11.223 -4.132 -7.955 585 2HB GLU 71 1HB GLU 71 -12.038 -4.280 -6.406 586 1HG GLU 71 2HG GLU 71 -14.113 -3.441 -7.493 587 2HG GLU 71 1HG GLU 71 -13.267 -3.504 -9.039 588 H ALA 72 H ALA 72 -9.243 -2.676 -6.559 589 HA ALA 72 HA ALA 72 -9.489 -2.615 -3.664 590 1HB ALA 72 1HB ALA 72 -8.075 -4.325 -4.346 591 2HB ALA 72 2HB ALA 72 -6.953 -3.057 -3.855 592 3HB ALA 72 3HB ALA 72 -7.288 -3.325 -5.565 593 H GLY 73 H GLY 73 -9.426 -0.231 -5.813 594 1HA GLY 73 2HA GLY 73 -7.335 1.397 -4.609 595 2HA GLY 73 1HA GLY 73 -8.356 1.847 -5.967 596 H ALA 74 H ALA 74 -10.879 1.544 -4.979 597 HA ALA 74 HA ALA 74 -11.208 2.680 -2.387 598 1HB ALA 74 1HB ALA 74 -11.627 4.893 -2.801 599 2HB ALA 74 2HB ALA 74 -12.037 4.613 -4.493 600 3HB ALA 74 3HB ALA 74 -10.351 4.581 -3.977 601 H LYS 75 H LYS 75 -12.293 0.503 -3.958 602 HA LYS 75 HA LYS 75 -15.074 1.342 -4.361 603 1HB LYS 75 2HB LYS 75 -13.403 -0.892 -5.373 604 2HB LYS 75 1HB LYS 75 -15.114 -1.221 -5.136 605 1HG LYS 75 2HG LYS 75 -14.368 1.241 -6.613 606 2HG LYS 75 1HG LYS 75 -14.161 -0.312 -7.425 607 1HD LYS 75 2HD LYS 75 -16.496 -0.854 -7.034 608 2HD LYS 75 1HD LYS 75 -16.717 0.653 -6.143 609 1HE LYS 75 2HE LYS 75 -17.508 0.645 -8.546 610 2HE LYS 75 1HE LYS 75 -16.428 1.960 -8.083 611 1HZ LYS 75 1HZ LYS 75 -14.743 1.148 -9.351 612 2HZ LYS 75 2HZ LYS 75 -16.045 0.569 -10.262 613 3HZ LYS 75 3HZ LYS 75 -15.231 -0.466 -9.199 614 H ILE 76 H ILE 76 -16.800 -0.009 -3.506 615 HA ILE 76 HA ILE 76 -16.452 -0.544 -0.741 616 HB ILE 76 HB ILE 76 -18.784 -1.515 -0.909 617 1HG1 ILE 76 2HG1 ILE 76 -18.744 -0.397 -3.708 618 2HG1 ILE 76 1HG1 ILE 76 -18.444 -2.100 -3.381 619 1HG2 ILE 76 1HG2 ILE 76 -17.955 1.250 -1.525 620 2HG2 ILE 76 2HG2 ILE 76 -18.942 0.625 -0.204 621 3HG2 ILE 76 3HG2 ILE 76 -19.653 0.860 -1.800 622 1HD1 ILE 76 1HD1 ILE 76 -20.676 -2.107 -2.182 623 2HD1 ILE 76 2HD1 ILE 76 -20.711 -1.950 -3.938 624 3HD1 ILE 76 3HD1 ILE 76 -20.954 -0.530 -2.921 625 H ASN 77 H ASN 77 -14.598 -2.073 -1.145 626 HA ASN 77 HA ASN 77 -15.339 -4.692 -0.517 627 1HB ASN 77 2HB ASN 77 -14.633 -5.879 -2.573 628 2HB ASN 77 1HB ASN 77 -16.052 -4.874 -2.842 629 1HD2 ASN 77 1HD2 ASN 77 -16.017 -3.742 -4.630 630 2HD2 ASN 77 2HD2 ASN 77 -14.610 -3.176 -5.456 631 H HIS 78 H HIS 78 -13.208 -6.186 -1.330 632 HA HIS 78 HA HIS 78 -11.028 -6.624 -0.861 633 1HB HIS 78 2HB HIS 78 -10.391 -5.139 -2.587 634 2HB HIS 78 1HB HIS 78 -10.858 -3.721 -1.657 635 HD1 HIS 78 HD1 HIS 78 -9.171 -2.835 0.082 636 HD2 HIS 78 HD2 HIS 78 -7.839 -6.158 -2.025 637 HE1 HIS 78 HE1 HIS 78 -6.711 -3.000 0.575 638 HE2 HIS 78 HE2 HIS 78 -5.909 -4.965 -0.783 639 H THR 79 H THR 79 -11.317 -7.165 1.293 640 HA THR 79 HA THR 79 -9.885 -5.684 3.190 641 HB THR 79 HB THR 79 -11.819 -4.164 3.097 642 HG1 THR 79 HG1 THR 79 -11.467 -3.905 5.131 643 1HG2 THR 79 1HG2 THR 79 -13.412 -6.551 3.994 644 2HG2 THR 79 2HG2 THR 79 -13.607 -5.646 2.493 645 3HG2 THR 79 3HG2 THR 79 -13.977 -4.881 4.038 646 H THR 80 H THR 80 -10.895 -6.468 5.560 647 HA THR 80 HA THR 80 -10.738 -8.255 6.971 648 HB THR 80 HB THR 80 -13.129 -8.256 6.335 649 HG1 THR 80 HG1 THR 80 -11.891 -10.752 6.823 650 1HG2 THR 80 1HG2 THR 80 -12.183 -10.102 4.189 651 2HG2 THR 80 2HG2 THR 80 -13.312 -8.751 4.089 652 3HG2 THR 80 3HG2 THR 80 -13.804 -10.258 4.863 653 H LEU 81 H LEU 81 -8.861 -8.284 4.691 654 HA LEU 81 HA LEU 81 -7.372 -9.659 3.642 655 1HB LEU 81 2HB LEU 81 -6.990 -9.971 6.157 656 2HB LEU 81 1HB LEU 81 -7.795 -11.517 5.965 657 HG LEU 81 HG LEU 81 -5.790 -11.384 3.968 658 1HD1 LEU 81 1HD1 LEU 81 -4.373 -11.113 6.541 659 2HD1 LEU 81 2HD1 LEU 81 -5.002 -9.625 5.833 660 3HD1 LEU 81 3HD1 LEU 81 -3.884 -10.635 4.915 661 1HD2 LEU 81 1HD2 LEU 81 -6.461 -13.008 6.344 662 2HD2 LEU 81 2HD2 LEU 81 -4.808 -13.132 5.743 663 3HD2 LEU 81 3HD2 LEU 81 -6.163 -13.500 4.677 664 H LYS 82 H LYS 82 -10.260 -10.164 3.082 665 HA LYS 82 HA LYS 82 -10.472 -13.014 2.711 666 1HB LYS 82 2HB LYS 82 -12.487 -11.742 3.176 667 2HB LYS 82 1HB LYS 82 -12.218 -10.734 1.761 668 1HG LYS 82 2HG LYS 82 -13.492 -12.128 0.606 669 2HG LYS 82 1HG LYS 82 -12.247 -13.361 0.806 670 1HD LYS 82 2HD LYS 82 -13.360 -14.404 2.516 671 2HD LYS 82 1HD LYS 82 -14.170 -12.924 3.035 672 1HE LYS 82 2HE LYS 82 -15.945 -13.323 1.736 673 2HE LYS 82 1HE LYS 82 -14.938 -13.740 0.350 674 1HZ LYS 82 1HZ LYS 82 -15.306 -15.626 2.593 675 2HZ LYS 82 2HZ LYS 82 -14.822 -15.952 1.006 676 3HZ LYS 82 3HZ LYS 82 -16.430 -15.541 1.330 677 H ILE 83 H ILE 83 -10.437 -10.247 0.449 678 HA ILE 83 HA ILE 83 -10.188 -11.713 -1.896 679 HB ILE 83 HB ILE 83 -9.199 -9.691 -2.908 680 1HG1 ILE 83 2HG1 ILE 83 -9.257 -7.688 -1.123 681 2HG1 ILE 83 1HG1 ILE 83 -8.799 -9.002 -0.044 682 1HG2 ILE 83 1HG2 ILE 83 -11.666 -9.968 -2.447 683 2HG2 ILE 83 2HG2 ILE 83 -11.105 -8.313 -2.683 684 3HG2 ILE 83 3HG2 ILE 83 -11.435 -8.907 -1.057 685 1HD1 ILE 83 1HD1 ILE 83 -7.337 -8.365 -2.589 686 2HD1 ILE 83 2HD1 ILE 83 -6.829 -9.442 -1.289 687 3HD1 ILE 83 3HD1 ILE 83 -6.902 -7.702 -1.014 688 H LEU 84 H LEU 84 -7.842 -11.038 0.555 689 HA LEU 84 HA LEU 84 -5.532 -11.572 -1.035 690 1HB LEU 84 2HB LEU 84 -6.014 -11.456 1.935 691 2HB LEU 84 1HB LEU 84 -4.448 -11.870 1.262 692 HG LEU 84 HG LEU 84 -4.906 -9.562 -0.053 693 1HD1 LEU 84 1HD1 LEU 84 -5.852 -8.710 2.601 694 2HD1 LEU 84 2HD1 LEU 84 -7.038 -9.538 1.593 695 3HD1 LEU 84 3HD1 LEU 84 -6.239 -8.083 0.999 696 1HD2 LEU 84 1HD2 LEU 84 -2.880 -9.608 0.959 697 2HD2 LEU 84 2HD2 LEU 84 -3.520 -10.282 2.457 698 3HD2 LEU 84 3HD2 LEU 84 -3.705 -8.562 2.114 699 H GLU 85 H GLU 85 -7.484 -13.467 1.248 700 HA GLU 85 HA GLU 85 -5.912 -15.834 0.914 701 1HB GLU 85 2HB GLU 85 -7.824 -16.956 2.071 702 2HB GLU 85 1HB GLU 85 -7.157 -15.588 2.950 703 1HG GLU 85 2HG GLU 85 -8.988 -14.205 2.354 704 2HG GLU 85 1HG GLU 85 -9.594 -15.397 1.206 705 H GLY 86 H GLY 86 -8.212 -14.267 -1.016 706 1HA GLY 86 2HA GLY 86 -9.107 -16.725 -2.316 707 2HA GLY 86 1HA GLY 86 -9.706 -15.104 -2.633 708 H HIS 87 H HIS 87 -6.882 -14.079 -2.838 709 HA HIS 87 HA HIS 87 -5.682 -15.458 -5.035 710 1HB HIS 87 2HB HIS 87 -6.028 -13.502 -6.648 711 2HB HIS 87 1HB HIS 87 -7.391 -14.587 -6.400 712 HD1 HIS 87 HD1 HIS 87 -6.301 -11.076 -5.926 713 HD2 HIS 87 HD2 HIS 87 -9.546 -13.470 -4.924 714 HE1 HIS 87 HE1 HIS 87 -8.107 -9.487 -5.191 715 HE2 HIS 87 HE2 HIS 87 -10.089 -10.953 -4.675 716 H LEU 88 HN LEU 88 -4.313 -14.955 -2.944 717 HA LEU 88 HA LEU 88 -2.295 -13.141 -3.755 718 1HB LEU 88 2HB LEU 88 -4.325 -11.842 -2.503 719 2HB LEU 88 1HB LEU 88 -3.296 -12.230 -1.137 720 HG LEU 88 HG LEU 88 -2.700 -10.048 -1.870 721 1HD1 LEU 88 1HD1 LEU 88 -0.798 -11.367 -1.241 722 2HD1 LEU 88 2HD1 LEU 88 -0.355 -10.362 -2.620 723 3HD1 LEU 88 3HD1 LEU 88 -0.701 -12.076 -2.854 724 1HD2 LEU 88 1HD2 LEU 88 -3.717 -10.372 -4.164 725 2HD2 LEU 88 2HD2 LEU 88 -2.184 -11.105 -4.637 726 3HD2 LEU 88 3HD2 LEU 88 -2.229 -9.426 -4.098 Start of MODEL 9 1 1H LEU 1 1H LEU 1 -7.809 19.724 -7.102 2 2H LEU 1 2H LEU 1 -7.358 21.264 -6.491 3 3H LEU 1 3H LEU 1 -8.996 20.943 -6.891 4 HA LEU 1 HA LEU 1 -7.440 19.616 -4.774 5 1HB LEU 1 2HB LEU 1 -9.099 20.898 -3.333 6 2HB LEU 1 1HB LEU 1 -7.814 21.829 -4.078 7 HG LEU 1 HG LEU 1 -10.364 21.667 -5.579 8 1HD1 LEU 1 1HD1 LEU 1 -11.001 21.976 -3.163 9 2HD1 LEU 1 2HD1 LEU 1 -11.507 23.262 -4.257 10 3HD1 LEU 1 3HD1 LEU 1 -10.111 23.497 -3.206 11 1HD2 LEU 1 1HD2 LEU 1 -9.015 24.220 -5.014 12 2HD2 LEU 1 2HD2 LEU 1 -9.617 23.564 -6.536 13 3HD2 LEU 1 3HD2 LEU 1 -8.058 23.034 -5.903 14 H PHE 2 H PHE 2 -8.289 17.682 -6.004 15 HA PHE 2 HA PHE 2 -11.074 17.127 -5.213 16 1HB PHE 2 2HB PHE 2 -9.507 16.190 -7.614 17 2HB PHE 2 1HB PHE 2 -10.992 15.402 -7.091 18 HD1 PHE 2 HD1 PHE 2 -12.978 17.157 -6.638 19 HD2 PHE 2 HD2 PHE 2 -9.696 17.741 -9.283 20 HE1 PHE 2 HE1 PHE 2 -14.299 18.799 -7.908 21 HE2 PHE 2 HE2 PHE 2 -11.010 19.385 -10.557 22 HZ PHE 2 HZ PHE 2 -13.315 19.916 -9.869 23 H ILE 3 H ILE 3 -11.314 14.526 -5.324 24 HA ILE 3 HA ILE 3 -9.998 13.557 -3.056 25 HB ILE 3 HB ILE 3 -12.143 12.658 -3.856 26 1HG1 ILE 3 2HG1 ILE 3 -11.346 10.130 -3.755 27 2HG1 ILE 3 1HG1 ILE 3 -9.811 10.870 -3.315 28 1HG2 ILE 3 1HG2 ILE 3 -12.473 11.661 -5.847 29 2HG2 ILE 3 2HG2 ILE 3 -10.894 10.872 -5.836 30 3HG2 ILE 3 3HG2 ILE 3 -11.031 12.565 -6.309 31 1HD1 ILE 3 1HD1 ILE 3 -12.437 11.080 -1.875 32 2HD1 ILE 3 2HD1 ILE 3 -11.042 12.095 -1.506 33 3HD1 ILE 3 3HD1 ILE 3 -10.937 10.347 -1.307 34 H ALA 4 H ALA 4 -7.864 13.279 -2.926 35 HA ALA 4 HA ALA 4 -6.108 12.841 -5.047 36 1HB ALA 4 1HB ALA 4 -4.457 12.236 -3.337 37 2HB ALA 4 2HB ALA 4 -5.746 12.123 -2.139 38 3HB ALA 4 3HB ALA 4 -5.369 13.676 -2.885 39 H THR 5 H THR 5 -5.880 11.141 -6.329 40 HA THR 5 HA THR 5 -6.282 8.454 -5.201 41 HB THR 5 HB THR 5 -7.095 7.908 -7.627 42 HG1 THR 5 HG1 THR 5 -7.702 10.671 -7.432 43 1HG2 THR 5 1HG2 THR 5 -9.093 7.659 -6.714 44 2HG2 THR 5 2HG2 THR 5 -9.289 9.400 -6.511 45 3HG2 THR 5 3HG2 THR 5 -8.458 8.455 -5.274 46 H LEU 6 H LEU 6 -3.941 8.525 -4.972 47 HA LEU 6 HA LEU 6 -2.277 8.704 -7.296 48 1HB LEU 6 2HB LEU 6 -1.875 8.086 -4.413 49 2HB LEU 6 1HB LEU 6 -0.637 7.564 -5.540 50 HG LEU 6 HG LEU 6 -0.666 10.022 -6.362 51 1HD1 LEU 6 1HD1 LEU 6 -1.736 10.458 -3.584 52 2HD1 LEU 6 2HD1 LEU 6 -2.739 10.544 -5.033 53 3HD1 LEU 6 3HD1 LEU 6 -1.397 11.666 -4.823 54 1HD2 LEU 6 1HD2 LEU 6 0.875 10.653 -4.458 55 2HD2 LEU 6 2HD2 LEU 6 1.266 9.158 -5.311 56 3HD2 LEU 6 3HD2 LEU 6 0.472 9.095 -3.737 57 H LYS 7 H LYS 7 -1.898 7.168 -8.741 58 HA LYS 7 HA LYS 7 -2.200 4.356 -7.931 59 1HB LYS 7 2HB LYS 7 -3.463 5.813 -10.192 60 2HB LYS 7 1HB LYS 7 -2.910 4.174 -10.504 61 1HG LYS 7 2HG LYS 7 -4.680 3.319 -9.487 62 2HG LYS 7 1HG LYS 7 -4.360 4.263 -8.031 63 1HD LYS 7 2HD LYS 7 -6.302 5.282 -8.510 64 2HD LYS 7 1HD LYS 7 -5.362 6.162 -9.717 65 1HE LYS 7 2HE LYS 7 -6.651 3.525 -10.341 66 2HE LYS 7 1HE LYS 7 -7.544 5.039 -10.467 67 1HZ LYS 7 1HZ LYS 7 -4.944 4.917 -11.786 68 2HZ LYS 7 2HZ LYS 7 -6.369 5.689 -12.272 69 3HZ LYS 7 3HZ LYS 7 -6.198 4.019 -12.484 70 H GLY 8 H GLY 8 0.147 4.549 -7.657 71 1HA GLY 8 2HA GLY 8 1.763 4.951 -10.020 72 2HA GLY 8 1HA GLY 8 2.342 4.520 -8.419 73 H ILE 9 H ILE 9 3.407 3.339 -10.667 74 HA ILE 9 HA ILE 9 2.562 0.563 -10.267 75 HB ILE 9 HB ILE 9 3.157 1.671 -13.008 76 1HG1 ILE 9 2HG1 ILE 9 1.044 2.593 -12.112 77 2HG1 ILE 9 1HG1 ILE 9 0.770 1.505 -13.468 78 1HG2 ILE 9 1HG2 ILE 9 3.599 -0.777 -12.441 79 2HG2 ILE 9 2HG2 ILE 9 2.587 -0.441 -13.846 80 3HG2 ILE 9 3HG2 ILE 9 1.847 -0.941 -12.326 81 1HD1 ILE 9 1HD1 ILE 9 0.676 0.251 -10.815 82 2HD1 ILE 9 2HD1 ILE 9 -0.370 0.034 -12.218 83 3HD1 ILE 9 3HD1 ILE 9 -0.599 1.422 -11.154 84 H PHE 10 H PHE 10 4.342 -0.153 -9.240 85 HA PHE 10 HA PHE 10 6.989 0.688 -9.854 86 1HB PHE 10 2HB PHE 10 5.849 -0.553 -7.724 87 2HB PHE 10 1HB PHE 10 6.638 -1.919 -8.505 88 HD1 PHE 10 HD1 PHE 10 9.118 -1.743 -9.000 89 HD2 PHE 10 HD2 PHE 10 7.064 0.946 -6.421 90 HE1 PHE 10 HE1 PHE 10 11.261 -1.086 -7.985 91 HE2 PHE 10 HE2 PHE 10 9.203 1.610 -5.401 92 HZ PHE 10 HZ PHE 10 11.305 0.593 -6.182 93 H THR 11 H THR 11 8.194 0.086 -11.532 94 HA THR 11 HA THR 11 7.810 -2.614 -12.631 95 HB THR 11 HB THR 11 6.671 -1.058 -14.118 96 HG1 THR 11 HG1 THR 11 8.024 -2.817 -14.967 97 1HG2 THR 11 1HG2 THR 11 9.000 0.307 -15.152 98 2HG2 THR 11 2HG2 THR 11 8.650 0.753 -13.481 99 3HG2 THR 11 3HG2 THR 11 7.411 0.941 -14.722 100 H LEU 12 H LEU 12 9.574 -3.706 -12.351 101 HA LEU 12 HA LEU 12 11.755 -4.304 -12.197 102 1HB LEU 12 2HB LEU 12 11.435 -3.178 -14.620 103 2HB LEU 12 1HB LEU 12 12.654 -2.104 -13.962 104 HG LEU 12 HG LEU 12 13.157 -5.020 -13.720 105 1HD1 LEU 12 1HD1 LEU 12 14.275 -4.606 -16.113 106 2HD1 LEU 12 2HD1 LEU 12 12.845 -3.588 -16.285 107 3HD1 LEU 12 3HD1 LEU 12 12.668 -5.302 -15.909 108 1HD2 LEU 12 1HD2 LEU 12 15.457 -4.108 -14.417 109 2HD2 LEU 12 2HD2 LEU 12 14.843 -3.695 -12.816 110 3HD2 LEU 12 3HD2 LEU 12 14.753 -2.517 -14.126 111 H LYS 13 H LYS 13 13.561 -3.892 -11.004 112 HA LYS 13 HA LYS 13 13.517 -2.009 -9.004 113 1HB LYS 13 2HB LYS 13 15.487 -3.855 -10.100 114 2HB LYS 13 1HB LYS 13 16.236 -2.404 -9.446 115 1HG LYS 13 2HG LYS 13 16.101 -4.180 -7.783 116 2HG LYS 13 1HG LYS 13 15.142 -2.777 -7.310 117 1HD LYS 13 2HD LYS 13 13.796 -4.654 -6.833 118 2HD LYS 13 1HD LYS 13 13.150 -3.979 -8.330 119 1HE LYS 13 2HE LYS 13 15.243 -5.931 -8.818 120 2HE LYS 13 1HE LYS 13 13.905 -6.609 -7.890 121 1HZ LYS 13 1HZ LYS 13 13.999 -5.796 -10.649 122 2HZ LYS 13 2HZ LYS 13 12.642 -5.212 -9.825 123 3HZ LYS 13 3HZ LYS 13 12.952 -6.874 -9.875 124 H ASP 14 H ASP 14 14.519 -1.636 -12.301 125 HA ASP 14 HA ASP 14 16.164 0.584 -12.189 126 1HB ASP 14 2HB ASP 14 15.698 -0.709 -14.243 127 2HB ASP 14 1HB ASP 14 14.074 -0.029 -14.290 128 H LEU 15 H LEU 15 12.609 0.442 -12.208 129 HA LEU 15 HA LEU 15 12.526 3.350 -11.833 130 1HB LEU 15 2HB LEU 15 10.840 1.443 -13.153 131 2HB LEU 15 1HB LEU 15 9.911 2.277 -11.922 132 HG LEU 15 HG LEU 15 9.767 3.338 -14.157 133 1HD1 LEU 15 1HD1 LEU 15 10.721 4.717 -11.721 134 2HD1 LEU 15 2HD1 LEU 15 9.215 4.906 -12.619 135 3HD1 LEU 15 3HD1 LEU 15 10.697 5.651 -13.217 136 1HD2 LEU 15 1HD2 LEU 15 11.554 4.041 -15.343 137 2HD2 LEU 15 2HD2 LEU 15 12.393 2.805 -14.407 138 3HD2 LEU 15 3HD2 LEU 15 12.466 4.493 -13.903 139 HA PRO 16 HA PRO 16 11.672 2.190 -7.546 140 1HB PRO 16 2HB PRO 16 13.011 4.161 -6.366 141 2HB PRO 16 1HB PRO 16 13.868 2.828 -7.149 142 1HG PRO 16 2HG PRO 16 13.458 5.624 -8.080 143 2HG PRO 16 1HG PRO 16 14.835 4.542 -8.342 144 1HD PRO 16 2HD PRO 16 12.710 5.058 -10.140 145 2HD PRO 16 1HD PRO 16 13.963 3.813 -10.298 146 H GLU 17 H GLU 17 9.814 3.565 -9.197 147 HA GLU 17 HA GLU 17 8.209 5.247 -9.230 148 1HB GLU 17 2HB GLU 17 6.554 4.777 -7.555 149 2HB GLU 17 1HB GLU 17 7.298 3.272 -8.077 150 1HG GLU 17 2HG GLU 17 7.564 2.806 -5.926 151 2HG GLU 17 1HG GLU 17 8.832 4.029 -5.917 152 H GLU 18 H GLU 18 10.629 6.407 -8.340 153 HA GLU 18 HA GLU 18 9.897 8.877 -7.468 154 1HB GLU 18 2HB GLU 18 9.075 7.917 -5.392 155 2HB GLU 18 1HB GLU 18 10.621 7.129 -5.116 156 1HG GLU 18 2HG GLU 18 10.921 8.908 -3.767 157 2HG GLU 18 1HG GLU 18 11.466 9.654 -5.268 158 H PHE 19 H PHE 19 12.335 6.783 -6.055 159 HA PHE 19 HA PHE 19 14.444 7.644 -7.751 160 1HB PHE 19 2HB PHE 19 14.400 9.724 -6.618 161 2HB PHE 19 1HB PHE 19 14.177 8.957 -5.050 162 HD1 PHE 19 HD1 PHE 19 15.980 9.357 -3.698 163 HD2 PHE 19 HD2 PHE 19 16.651 8.489 -7.809 164 HE1 PHE 19 HE1 PHE 19 18.409 9.426 -3.311 165 HE2 PHE 19 HE2 PHE 19 19.081 8.555 -7.430 166 HZ PHE 19 HZ PHE 19 19.963 9.024 -5.178 167 H ARG 20 H ARG 20 13.845 6.609 -4.388 168 HA ARG 20 HA ARG 20 15.954 4.589 -4.722 169 1HB ARG 20 2HB ARG 20 16.071 6.268 -2.815 170 2HB ARG 20 1HB ARG 20 14.682 5.441 -2.123 171 1HG ARG 20 2HG ARG 20 16.457 4.459 -1.026 172 2HG ARG 20 1HG ARG 20 16.135 3.316 -2.332 173 1HD ARG 20 2HD ARG 20 18.035 3.899 -3.491 174 2HD ARG 20 1HD ARG 20 18.097 5.514 -2.787 175 HE ARG 20 HE ARG 20 19.386 4.679 -1.098 176 1HH1 ARG 20 2HH1 ARG 20 17.774 2.016 -2.678 177 2HH1 ARG 20 1HH1 ARG 20 18.631 0.804 -1.786 178 1HH2 ARG 20 1HH2 ARG 20 20.519 3.084 0.074 179 2HH2 ARG 20 2HH2 ARG 20 20.189 1.410 -0.224 180 HA PRO 21 HA PRO 21 12.850 1.430 -5.016 181 1HB PRO 21 2HB PRO 21 14.388 -0.667 -4.106 182 2HB PRO 21 1HB PRO 21 14.409 -0.055 -5.763 183 1HG PRO 21 2HG PRO 21 16.289 0.506 -3.509 184 2HG PRO 21 1HG PRO 21 16.643 0.237 -5.226 185 1HD PRO 21 2HD PRO 21 16.633 2.700 -4.157 186 2HD PRO 21 1HD PRO 21 16.065 2.401 -5.813 187 H PHE 22 H PHE 22 11.310 1.784 -3.488 188 HA PHE 22 HA PHE 22 11.912 1.252 -0.683 189 1HB PHE 22 2HB PHE 22 9.713 2.639 -2.149 190 2HB PHE 22 1HB PHE 22 9.358 1.964 -0.562 191 HD1 PHE 22 HD1 PHE 22 10.845 4.672 -2.372 192 HD2 PHE 22 HD2 PHE 22 10.759 2.705 1.401 193 HE1 PHE 22 HE1 PHE 22 11.820 6.668 -1.314 194 HE2 PHE 22 HE2 PHE 22 11.733 4.698 2.466 195 HZ PHE 22 HZ PHE 22 12.265 6.683 1.109 196 H VAL 23 H VAL 23 10.406 -0.228 -3.399 197 HA VAL 23 HA VAL 23 9.037 -2.206 -1.713 198 HB VAL 23 HB VAL 23 8.897 -1.888 -4.719 199 1HG1 VAL 23 1HG1 VAL 23 7.736 -3.766 -2.796 200 2HG1 VAL 23 2HG1 VAL 23 7.991 -3.931 -4.532 201 3HG1 VAL 23 3HG1 VAL 23 6.578 -3.066 -3.925 202 1HG2 VAL 23 1HG2 VAL 23 7.975 -0.049 -2.951 203 2HG2 VAL 23 2HG2 VAL 23 6.577 -1.114 -3.091 204 3HG2 VAL 23 3HG2 VAL 23 7.258 -0.360 -4.533 205 H ASP 24 H ASP 24 12.049 -1.882 -2.635 206 HA ASP 24 HA ASP 24 12.490 -4.447 -3.899 207 1HB ASP 24 2HB ASP 24 13.908 -2.527 -4.496 208 2HB ASP 24 1HB ASP 24 14.467 -2.417 -2.830 209 H TYR 25 H TYR 25 12.354 -3.135 -0.721 210 HA TYR 25 HA TYR 25 13.990 -5.059 0.577 211 1HB TYR 25 2HB TYR 25 13.311 -4.084 2.593 212 2HB TYR 25 1HB TYR 25 13.209 -2.753 1.448 213 HD1 TYR 25 HD1 TYR 25 11.595 -4.216 4.114 214 HD2 TYR 25 HD2 TYR 25 10.757 -2.690 0.233 215 HE1 TYR 25 HE1 TYR 25 9.255 -3.845 4.771 216 HE2 TYR 25 HE2 TYR 25 8.416 -2.312 0.880 217 HH TYR 25 HH TYR 25 6.802 -3.229 2.567 218 H LYS 26 H LYS 26 10.546 -4.900 -0.213 219 HA LYS 26 HA LYS 26 9.871 -7.219 1.323 220 1HB LYS 26 2HB LYS 26 7.741 -7.165 0.067 221 2HB LYS 26 1HB LYS 26 8.147 -5.605 0.769 222 1HG LYS 26 2HG LYS 26 8.420 -4.615 -1.240 223 2HG LYS 26 1HG LYS 26 9.039 -6.080 -2.005 224 1HD LYS 26 2HD LYS 26 6.957 -5.772 -3.013 225 2HD LYS 26 1HD LYS 26 6.637 -6.972 -1.757 226 1HE LYS 26 2HE LYS 26 6.236 -4.613 -0.428 227 2HE LYS 26 1HE LYS 26 5.645 -4.234 -2.046 228 1HZ LYS 26 1HZ LYS 26 4.449 -6.525 -1.748 229 2HZ LYS 26 2HZ LYS 26 3.780 -5.113 -1.103 230 3HZ LYS 26 3HZ LYS 26 4.629 -6.179 -0.102 231 H ALA 27 H ALA 27 11.130 -6.647 -1.854 232 HA ALA 27 HA ALA 27 10.510 -9.235 -2.910 233 1HB ALA 27 1HB ALA 27 11.688 -8.587 -4.827 234 2HB ALA 27 2HB ALA 27 12.687 -7.440 -3.935 235 3HB ALA 27 3HB ALA 27 10.983 -7.087 -4.224 236 H GLY 28 H GLY 28 13.070 -7.858 -0.999 237 1HA GLY 28 2HA GLY 28 14.467 -10.462 -1.101 238 2HA GLY 28 1HA GLY 28 15.334 -8.936 -1.031 239 H LEU 29 H LEU 29 12.403 -9.310 0.790 240 HA LEU 29 HA LEU 29 13.666 -8.674 3.226 241 1HB LEU 29 2HB LEU 29 11.115 -8.612 2.349 242 2HB LEU 29 1HB LEU 29 11.059 -10.057 3.340 243 HG LEU 29 HG LEU 29 10.345 -8.174 4.655 244 1HD1 LEU 29 1HD1 LEU 29 11.871 -9.968 5.631 245 2HD1 LEU 29 2HD1 LEU 29 11.703 -8.466 6.540 246 3HD1 LEU 29 3HD1 LEU 29 13.146 -8.750 5.566 247 1HD2 LEU 29 1HD2 LEU 29 12.768 -6.911 3.496 248 2HD2 LEU 29 2HD2 LEU 29 12.296 -6.449 5.131 249 3HD2 LEU 29 3HD2 LEU 29 11.168 -6.234 3.792 250 H GLU 30 H GLU 30 13.396 -11.620 1.582 251 HA GLU 30 HA GLU 30 14.397 -13.034 3.946 252 1HB GLU 30 2HB GLU 30 12.077 -13.831 2.216 253 2HB GLU 30 1HB GLU 30 13.036 -15.054 3.038 254 1HG GLU 30 2HG GLU 30 12.011 -14.678 4.964 255 2HG GLU 30 1HG GLU 30 12.295 -12.942 4.849 256 H LYS 31 H LYS 31 16.099 -12.088 2.128 257 HA LYS 31 HA LYS 31 17.689 -12.567 0.575 258 1HB LYS 31 2HB LYS 31 18.819 -14.685 0.866 259 2HB LYS 31 1HB LYS 31 18.348 -14.058 2.438 260 1HG LYS 31 2HG LYS 31 16.581 -15.621 2.632 261 2HG LYS 31 1HG LYS 31 16.734 -16.105 0.942 262 1HD LYS 31 2HD LYS 31 18.944 -16.464 2.954 263 2HD LYS 31 1HD LYS 31 17.713 -17.692 2.653 264 1HE LYS 31 2HE LYS 31 19.411 -16.521 0.464 265 2HE LYS 31 1HE LYS 31 19.899 -17.939 1.389 266 1HZ LYS 31 1HZ LYS 31 18.800 -19.035 -0.207 267 2HZ LYS 31 2HZ LYS 31 17.900 -17.686 -0.684 268 3HZ LYS 31 3HZ LYS 31 17.408 -18.600 0.652 269 H LYS 32 H LYS 32 15.158 -12.513 -0.471 270 HA LYS 32 HA LYS 32 14.923 -14.794 -2.280 271 1HB LYS 32 2HB LYS 32 13.116 -12.828 -1.187 272 2HB LYS 32 1HB LYS 32 12.986 -12.863 -2.940 273 1HG LYS 32 2HG LYS 32 12.565 -15.263 -2.871 274 2HG LYS 32 1HG LYS 32 12.716 -15.242 -1.113 275 1HD LYS 32 2HD LYS 32 10.395 -15.194 -1.577 276 2HD LYS 32 1HD LYS 32 10.834 -13.554 -1.097 277 1HE LYS 32 2HE LYS 32 11.126 -13.122 -3.617 278 2HE LYS 32 1HE LYS 32 10.211 -14.614 -3.834 279 1HZ LYS 32 1HZ LYS 32 8.537 -13.088 -3.833 280 2HZ LYS 32 2HZ LYS 32 9.327 -12.028 -2.778 281 3HZ LYS 32 3HZ LYS 32 8.591 -13.427 -2.177 282 H LYS 33 H LYS 33 17.025 -12.527 -2.374 283 HA LYS 33 HA LYS 33 18.052 -11.187 -3.910 284 1HB LYS 33 2HB LYS 33 18.496 -12.258 -6.013 285 2HB LYS 33 1HB LYS 33 18.459 -13.492 -4.761 286 1HG LYS 33 2HG LYS 33 16.327 -14.259 -5.459 287 2HG LYS 33 1HG LYS 33 16.105 -12.870 -6.526 288 1HD LYS 33 2HD LYS 33 18.430 -14.706 -6.929 289 2HD LYS 33 1HD LYS 33 16.832 -15.167 -7.521 290 1HE LYS 33 2HE LYS 33 17.425 -14.030 -9.362 291 2HE LYS 33 1HE LYS 33 17.013 -12.605 -8.409 292 1HZ LYS 33 1HZ LYS 33 19.487 -12.847 -7.648 293 2HZ LYS 33 2HZ LYS 33 19.104 -12.070 -9.100 294 3HZ LYS 33 3HZ LYS 33 19.650 -13.670 -9.116 295 H LEU 34 H LEU 34 17.629 -10.580 -6.547 296 HA LEU 34 HA LEU 34 14.940 -9.379 -6.575 297 1HB LEU 34 2HB LEU 34 17.347 -8.007 -7.735 298 2HB LEU 34 1HB LEU 34 15.778 -7.323 -7.359 299 HG LEU 34 HG LEU 34 17.246 -6.470 -5.730 300 1HD1 LEU 34 1HD1 LEU 34 15.085 -8.003 -5.011 301 2HD1 LEU 34 2HD1 LEU 34 15.959 -6.890 -3.960 302 3HD1 LEU 34 3HD1 LEU 34 16.364 -8.607 -3.960 303 1HD2 LEU 34 1HD2 LEU 34 18.856 -8.550 -6.258 304 2HD2 LEU 34 2HD2 LEU 34 18.199 -9.071 -4.707 305 3HD2 LEU 34 3HD2 LEU 34 19.035 -7.522 -4.836 306 H SER 35 H SER 35 13.799 -9.690 -8.382 307 HA SER 35 HA SER 35 15.130 -11.027 -10.624 308 1HB SER 35 2HB SER 35 12.465 -11.134 -11.216 309 2HB SER 35 1HB SER 35 13.335 -12.371 -10.308 310 HG SER 35 HG SER 35 11.589 -11.806 -9.084 311 H ASP 36 H ASP 36 13.598 -10.514 -12.740 312 HA ASP 36 HA ASP 36 13.981 -7.631 -13.149 313 1HB ASP 36 2HB ASP 36 13.641 -9.773 -15.255 314 2HB ASP 36 1HB ASP 36 14.157 -8.108 -15.506 315 H ASP 37 H ASP 37 11.567 -10.072 -12.965 316 HA ASP 37 HA ASP 37 9.577 -8.387 -14.288 317 1HB ASP 37 2HB ASP 37 8.091 -10.339 -14.096 318 2HB ASP 37 1HB ASP 37 9.600 -10.753 -14.903 319 H ASP 38 H ASP 38 10.818 -7.858 -11.594 320 HA ASP 38 HA ASP 38 8.836 -8.325 -9.613 321 1HB ASP 38 2HB ASP 38 11.306 -7.809 -9.239 322 2HB ASP 38 1HB ASP 38 10.898 -6.123 -9.548 323 H GLU 39 H GLU 39 6.832 -7.591 -10.140 324 HA GLU 39 HA GLU 39 6.571 -4.719 -10.742 325 1HB GLU 39 2HB GLU 39 4.959 -7.103 -11.588 326 2HB GLU 39 1HB GLU 39 4.224 -5.505 -11.552 327 1HG GLU 39 2HG GLU 39 6.813 -5.675 -12.933 328 2HG GLU 39 1HG GLU 39 5.485 -6.553 -13.688 329 H ILE 40 H ILE 40 5.369 -3.454 -9.443 330 HA ILE 40 HA ILE 40 3.633 -4.690 -7.437 331 HB ILE 40 HB ILE 40 5.904 -2.803 -6.813 332 1HG1 ILE 40 2HG1 ILE 40 6.053 -4.758 -4.979 333 2HG1 ILE 40 1HG1 ILE 40 5.276 -5.655 -6.279 334 1HG2 ILE 40 1HG2 ILE 40 3.327 -3.050 -5.513 335 2HG2 ILE 40 2HG2 ILE 40 4.611 -1.871 -5.257 336 3HG2 ILE 40 3HG2 ILE 40 4.657 -3.419 -4.415 337 1HD1 ILE 40 1HD1 ILE 40 7.603 -4.052 -7.074 338 2HD1 ILE 40 2HD1 ILE 40 7.132 -5.689 -7.534 339 3HD1 ILE 40 3HD1 ILE 40 7.936 -5.404 -5.991 340 H ALA 41 H ALA 41 1.832 -3.530 -6.991 341 HA ALA 41 HA ALA 41 1.543 -0.953 -8.382 342 1HB ALA 41 1HB ALA 41 -0.515 -3.014 -7.613 343 2HB ALA 41 2HB ALA 41 0.007 -2.569 -9.238 344 3HB ALA 41 3HB ALA 41 -0.909 -1.422 -8.260 345 H ILE 42 H ILE 42 1.552 0.788 -7.140 346 HA ILE 42 HA ILE 42 0.855 0.521 -4.302 347 HB ILE 42 HB ILE 42 2.185 2.883 -5.621 348 1HG1 ILE 42 2HG1 ILE 42 3.566 0.659 -4.113 349 2HG1 ILE 42 1HG1 ILE 42 3.468 0.712 -5.871 350 1HG2 ILE 42 1HG2 ILE 42 3.035 2.942 -3.103 351 2HG2 ILE 42 2HG2 ILE 42 1.505 2.105 -2.844 352 3HG2 ILE 42 3HG2 ILE 42 1.523 3.696 -3.607 353 1HD1 ILE 42 1HD1 ILE 42 5.247 2.103 -4.073 354 2HD1 ILE 42 2HD1 ILE 42 4.429 3.209 -5.176 355 3HD1 ILE 42 3HD1 ILE 42 5.363 1.857 -5.815 356 H ILE 43 H ILE 43 -1.172 1.024 -3.803 357 HA ILE 43 HA ILE 43 -2.465 3.245 -5.251 358 HB ILE 43 HB ILE 43 -3.984 1.031 -3.897 359 1HG1 ILE 43 2HG1 ILE 43 -2.508 0.025 -5.605 360 2HG1 ILE 43 1HG1 ILE 43 -4.207 -0.081 -6.058 361 1HG2 ILE 43 1HG2 ILE 43 -4.800 3.436 -4.872 362 2HG2 ILE 43 2HG2 ILE 43 -5.829 2.014 -4.708 363 3HG2 ILE 43 3HG2 ILE 43 -5.073 2.381 -6.259 364 1HD1 ILE 43 1HD1 ILE 43 -3.386 0.618 -8.035 365 2HD1 ILE 43 2HD1 ILE 43 -1.999 1.424 -7.302 366 3HD1 ILE 43 3HD1 ILE 43 -3.582 2.202 -7.286 367 H SER 44 H SER 44 -2.468 4.980 -3.977 368 HA SER 44 HA SER 44 -3.147 4.614 -1.132 369 1HB SER 44 2HB SER 44 -1.830 6.666 -0.680 370 2HB SER 44 1HB SER 44 -0.844 5.377 -1.369 371 HG SER 44 HG SER 44 -0.587 6.506 -3.156 372 H ILE 45 H ILE 45 -4.610 6.028 -0.199 373 HA ILE 45 HA ILE 45 -5.923 7.951 -1.996 374 HB ILE 45 HB ILE 45 -7.449 6.188 -0.086 375 1HG1 ILE 45 2HG1 ILE 45 -7.456 5.861 -3.076 376 2HG1 ILE 45 1HG1 ILE 45 -6.284 5.009 -2.076 377 1HG2 ILE 45 1HG2 ILE 45 -9.258 6.986 -1.861 378 2HG2 ILE 45 2HG2 ILE 45 -8.137 8.340 -2.002 379 3HG2 ILE 45 3HG2 ILE 45 -8.848 7.943 -0.437 380 1HD1 ILE 45 1HD1 ILE 45 -8.865 4.201 -2.716 381 2HD1 ILE 45 2HD1 ILE 45 -8.936 4.685 -1.022 382 3HD1 ILE 45 3HD1 ILE 45 -7.773 3.466 -1.542 383 H LYS 46 H LYS 46 -3.962 8.378 0.090 384 HA LYS 46 HA LYS 46 -5.119 10.562 1.405 385 1HB LYS 46 2HB LYS 46 -5.626 8.069 2.690 386 2HB LYS 46 1HB LYS 46 -4.493 8.969 3.688 387 1HG LYS 46 2HG LYS 46 -6.012 10.553 4.228 388 2HG LYS 46 1HG LYS 46 -6.824 10.466 2.663 389 1HD LYS 46 2HD LYS 46 -8.193 8.753 3.315 390 2HD LYS 46 1HD LYS 46 -7.021 8.113 4.469 391 1HE LYS 46 2HE LYS 46 -8.804 9.011 5.745 392 2HE LYS 46 1HE LYS 46 -7.465 10.150 5.881 393 1HZ LYS 46 1HZ LYS 46 -9.499 11.337 5.501 394 2HZ LYS 46 2HZ LYS 46 -9.841 10.423 4.119 395 3HZ LYS 46 3HZ LYS 46 -8.524 11.485 4.126 396 H GLY 47 H GLY 47 -2.724 8.003 2.078 397 1HA GLY 47 2HA GLY 47 -0.388 8.247 1.926 398 2HA GLY 47 1HA GLY 47 -0.597 9.990 1.861 399 H THR 48 H THR 48 -2.190 8.061 4.287 400 HA THR 48 HA THR 48 -0.172 8.353 6.286 401 HB THR 48 HB THR 48 -0.815 10.645 6.356 402 HG1 THR 48 HG1 THR 48 -1.788 10.766 8.434 403 1HG2 THR 48 1HG2 THR 48 -3.650 10.243 6.991 404 2HG2 THR 48 2HG2 THR 48 -3.201 9.958 5.309 405 3HG2 THR 48 3HG2 THR 48 -2.855 11.515 6.063 406 H GLN 49 H GLN 49 -3.638 7.980 5.659 407 HA GLN 49 HA GLN 49 -3.712 5.879 7.724 408 1HB GLN 49 2HB GLN 49 -5.431 8.127 7.246 409 2HB GLN 49 1HB GLN 49 -6.350 6.643 7.036 410 1HG GLN 49 2HG GLN 49 -4.617 6.933 9.436 411 2HG GLN 49 1HG GLN 49 -6.150 7.800 9.376 412 1HE2 GLN 49 1HE2 GLN 49 -8.044 6.404 8.703 413 2HE2 GLN 49 2HE2 GLN 49 -8.129 4.829 9.406 414 H SER 50 H SER 50 -4.683 6.789 4.466 415 HA SER 50 HA SER 50 -5.588 4.044 3.960 416 1HB SER 50 2HB SER 50 -6.842 6.325 3.316 417 2HB SER 50 1HB SER 50 -5.851 6.143 1.870 418 HG SER 50 HG SER 50 -8.097 5.033 2.191 419 H ASN 51 H ASN 51 -3.430 3.197 3.925 420 HA ASN 51 HA ASN 51 -2.038 3.768 1.394 421 1HB ASN 51 2HB ASN 51 -0.797 3.136 4.080 422 2HB ASN 51 1HB ASN 51 0.095 3.235 2.565 423 1HD2 ASN 51 1HD2 ASN 51 0.977 5.116 2.103 424 2HD2 ASN 51 2HD2 ASN 51 0.513 6.646 2.758 425 H HIS 52 H HIS 52 -2.035 2.081 0.085 426 HA HIS 52 HA HIS 52 -1.832 -0.615 1.228 427 1HB HIS 52 2HB HIS 52 -3.679 0.026 -1.071 428 2HB HIS 52 1HB HIS 52 -3.568 -1.477 -0.162 429 HD1 HIS 52 HD1 HIS 52 -4.735 -1.557 2.142 430 HD2 HIS 52 HD2 HIS 52 -5.190 2.052 0.134 431 HE1 HIS 52 HE1 HIS 52 -6.549 -0.325 3.375 432 HE2 HIS 52 HE2 HIS 52 -6.854 1.826 2.100 433 H VAL 53 H VAL 53 -0.824 -2.157 -0.088 434 HA VAL 53 HA VAL 53 0.225 -1.315 -2.672 435 HB VAL 53 HB VAL 53 1.932 -0.546 -1.083 436 1HG1 VAL 53 1HG1 VAL 53 2.295 -3.431 -0.302 437 2HG1 VAL 53 2HG1 VAL 53 1.402 -2.258 0.666 438 3HG1 VAL 53 3HG1 VAL 53 3.122 -2.021 0.359 439 1HG2 VAL 53 1HG2 VAL 53 3.314 -2.867 -2.243 440 2HG2 VAL 53 2HG2 VAL 53 3.622 -1.142 -2.446 441 3HG2 VAL 53 3HG2 VAL 53 2.344 -1.925 -3.376 442 H LEU 54 H LEU 54 -0.022 -2.944 -4.045 443 HA LEU 54 HA LEU 54 -0.243 -5.669 -2.973 444 1HB LEU 54 2HB LEU 54 -1.566 -4.194 -5.118 445 2HB LEU 54 1HB LEU 54 -1.015 -5.780 -5.623 446 HG LEU 54 HG LEU 54 -2.898 -5.168 -3.346 447 1HD1 LEU 54 1HD1 LEU 54 -3.559 -6.950 -5.624 448 2HD1 LEU 54 2HD1 LEU 54 -3.555 -5.209 -5.908 449 3HD1 LEU 54 3HD1 LEU 54 -4.602 -5.897 -4.667 450 1HD2 LEU 54 1HD2 LEU 54 -3.068 -7.762 -3.420 451 2HD2 LEU 54 2HD2 LEU 54 -1.753 -6.998 -2.526 452 3HD2 LEU 54 3HD2 LEU 54 -1.457 -7.665 -4.132 453 H PHE 55 H PHE 55 0.451 -7.388 -4.662 454 HA PHE 55 HA PHE 55 3.036 -6.591 -5.828 455 1HB PHE 55 2HB PHE 55 3.499 -7.849 -3.819 456 2HB PHE 55 1HB PHE 55 2.369 -9.111 -4.292 457 HD1 PHE 55 HD1 PHE 55 4.743 -7.527 -6.620 458 HD2 PHE 55 HD2 PHE 55 3.915 -10.912 -4.177 459 HE1 PHE 55 HE1 PHE 55 6.575 -8.755 -7.707 460 HE2 PHE 55 HE2 PHE 55 5.746 -12.146 -5.261 461 HZ PHE 55 HZ PHE 55 7.079 -11.069 -7.028 462 H LEU 56 H LEU 56 3.043 -6.842 -7.955 463 HA LEU 56 HA LEU 56 1.239 -8.823 -9.161 464 1HB LEU 56 2HB LEU 56 2.374 -6.223 -10.074 465 2HB LEU 56 1HB LEU 56 2.020 -7.440 -11.285 466 HG LEU 56 HG LEU 56 -0.321 -7.501 -10.560 467 1HD1 LEU 56 1HD1 LEU 56 0.399 -5.228 -8.720 468 2HD1 LEU 56 2HD1 LEU 56 0.122 -6.888 -8.195 469 3HD1 LEU 56 3HD1 LEU 56 -1.188 -5.967 -8.934 470 1HD2 LEU 56 1HD2 LEU 56 0.124 -6.025 -12.352 471 2HD2 LEU 56 2HD2 LEU 56 0.836 -4.819 -11.280 472 3HD2 LEU 56 3HD2 LEU 56 -0.899 -5.131 -11.228 473 H SER 57 H SER 57 2.079 -10.639 -9.933 474 HA SER 57 HA SER 57 4.976 -10.798 -10.335 475 1HB SER 57 2HB SER 57 3.499 -12.454 -8.906 476 2HB SER 57 1HB SER 57 3.192 -13.195 -10.476 477 HG SER 57 HG SER 57 5.006 -14.132 -9.501 478 H SER 58 H SER 58 2.007 -11.952 -11.947 479 HA SER 58 HA SER 58 3.488 -11.984 -14.482 480 1HB SER 58 2HB SER 58 2.479 -14.107 -14.026 481 2HB SER 58 1HB SER 58 0.935 -13.356 -13.627 482 HG SER 58 HG SER 58 1.630 -14.276 -15.940 483 H TYR 59 H TYR 59 0.024 -11.577 -13.822 484 HA TYR 59 HA TYR 59 -1.494 -10.041 -14.533 485 1HB TYR 59 2HB TYR 59 0.374 -8.585 -13.312 486 2HB TYR 59 1HB TYR 59 0.598 -7.956 -14.941 487 HD1 TYR 59 HD1 TYR 59 -1.188 -6.694 -16.043 488 HD2 TYR 59 HD2 TYR 59 -1.626 -8.101 -12.052 489 HE1 TYR 59 HE1 TYR 59 -3.095 -5.175 -15.723 490 HE2 TYR 59 HE2 TYR 59 -3.535 -6.586 -11.722 491 HH TYR 59 HH TYR 59 -5.210 -5.189 -14.113 492 H ASN 60 H ASN 60 -1.383 -11.517 -16.484 493 HA ASN 60 HA ASN 60 -0.392 -10.079 -18.851 494 1HB ASN 60 2HB ASN 60 -0.490 -12.238 -20.016 495 2HB ASN 60 1HB ASN 60 0.521 -12.338 -18.577 496 1HD2 ASN 60 1HD2 ASN 60 -0.147 -13.568 -16.844 497 2HD2 ASN 60 2HD2 ASN 60 -1.461 -14.684 -16.943 498 H SER 61 H SER 61 -3.229 -11.164 -17.231 499 HA SER 61 HA SER 61 -5.049 -11.440 -19.304 500 1HB SER 61 2HB SER 61 -5.723 -10.121 -16.675 501 2HB SER 61 1HB SER 61 -6.764 -11.118 -17.690 502 HG SER 61 HG SER 61 -4.770 -11.866 -15.900 503 H VAL 62 H VAL 62 -7.048 -9.686 -19.206 504 HA VAL 62 HA VAL 62 -5.821 -7.164 -20.105 505 HB VAL 62 HB VAL 62 -7.608 -6.905 -21.695 506 1HG1 VAL 62 1HG1 VAL 62 -6.804 -9.782 -21.958 507 2HG1 VAL 62 2HG1 VAL 62 -5.635 -8.474 -22.143 508 3HG1 VAL 62 3HG1 VAL 62 -7.027 -8.572 -23.222 509 1HG2 VAL 62 1HG2 VAL 62 -9.055 -9.251 -21.756 510 2HG2 VAL 62 2HG2 VAL 62 -9.616 -7.706 -21.117 511 3HG2 VAL 62 3HG2 VAL 62 -8.917 -8.906 -20.031 512 H ASP 63 H ASP 63 -8.613 -6.031 -20.374 513 HA ASP 63 HA ASP 63 -8.768 -4.520 -18.111 514 1HB ASP 63 2HB ASP 63 -11.191 -5.454 -19.654 515 2HB ASP 63 1HB ASP 63 -11.024 -3.961 -18.734 516 H GLU 64 H GLU 64 -9.833 -7.803 -18.514 517 HA GLU 64 HA GLU 64 -11.689 -8.099 -16.497 518 1HB GLU 64 2HB GLU 64 -10.911 -10.465 -16.367 519 2HB GLU 64 1HB GLU 64 -11.225 -9.908 -18.005 520 1HG GLU 64 2HG GLU 64 -8.602 -9.345 -17.812 521 2HG GLU 64 1HG GLU 64 -8.705 -10.733 -16.730 522 H ILE 65 H ILE 65 -8.247 -7.638 -16.221 523 HA ILE 65 HA ILE 65 -8.422 -8.128 -13.324 524 HB ILE 65 HB ILE 65 -5.974 -8.304 -13.328 525 1HG1 ILE 65 2HG1 ILE 65 -6.146 -8.224 -16.342 526 2HG1 ILE 65 1HG1 ILE 65 -5.675 -6.835 -15.368 527 1HG2 ILE 65 1HG2 ILE 65 -7.255 -10.329 -13.528 528 2HG2 ILE 65 2HG2 ILE 65 -5.826 -10.452 -14.554 529 3HG2 ILE 65 3HG2 ILE 65 -7.401 -10.111 -15.272 530 1HD1 ILE 65 1HD1 ILE 65 -3.785 -8.124 -14.486 531 2HD1 ILE 65 2HD1 ILE 65 -3.728 -7.959 -16.241 532 3HD1 ILE 65 3HD1 ILE 65 -4.248 -9.479 -15.514 533 H ARG 66 H ARG 66 -8.381 -5.631 -15.544 534 HA ARG 66 HA ARG 66 -6.757 -3.779 -14.063 535 1HB ARG 66 2HB ARG 66 -8.517 -3.597 -16.476 536 2HB ARG 66 1HB ARG 66 -8.003 -2.124 -15.668 537 1HG ARG 66 2HG ARG 66 -5.820 -2.380 -16.279 538 2HG ARG 66 1HG ARG 66 -5.935 -4.137 -16.369 539 1HD ARG 66 2HD ARG 66 -5.722 -2.761 -18.558 540 2HD ARG 66 1HD ARG 66 -6.863 -4.101 -18.486 541 HE ARG 66 HE ARG 66 -8.542 -2.604 -18.833 542 1HH1 ARG 66 2HH1 ARG 66 -5.792 -0.867 -17.564 543 2HH1 ARG 66 1HH1 ARG 66 -6.543 0.685 -17.723 544 1HH2 ARG 66 1HH2 ARG 66 -9.529 -0.563 -19.038 545 2HH2 ARG 66 2HH2 ARG 66 -8.663 0.858 -18.559 546 H LYS 67 H LYS 67 -10.247 -3.908 -14.800 547 HA LYS 67 HA LYS 67 -11.010 -1.849 -13.082 548 1HB LYS 67 2HB LYS 67 -13.283 -3.014 -13.143 549 2HB LYS 67 1HB LYS 67 -12.596 -2.509 -14.681 550 1HG LYS 67 2HG LYS 67 -12.015 -4.715 -15.262 551 2HG LYS 67 1HG LYS 67 -12.280 -5.299 -13.617 552 1HD LYS 67 2HD LYS 67 -14.545 -4.047 -15.106 553 2HD LYS 67 1HD LYS 67 -14.075 -5.705 -15.487 554 1HE LYS 67 2HE LYS 67 -14.295 -6.253 -13.069 555 2HE LYS 67 1HE LYS 67 -14.919 -4.626 -12.801 556 1HZ LYS 67 1HZ LYS 67 -16.507 -6.655 -13.237 557 2HZ LYS 67 2HZ LYS 67 -16.207 -6.262 -14.854 558 3HZ LYS 67 3HZ LYS 67 -16.878 -5.108 -13.815 559 H GLU 68 H GLU 68 -10.662 -5.316 -12.471 560 HA GLU 68 HA GLU 68 -11.809 -5.336 -9.904 561 1HB GLU 68 2HB GLU 68 -10.872 -7.499 -9.637 562 2HB GLU 68 1HB GLU 68 -11.269 -7.345 -11.342 563 1HG GLU 68 2HG GLU 68 -8.942 -6.906 -11.867 564 2HG GLU 68 1HG GLU 68 -8.526 -6.982 -10.156 565 H LEU 69 H LEU 69 -8.456 -4.870 -10.962 566 HA LEU 69 HA LEU 69 -7.429 -4.636 -8.307 567 1HB LEU 69 2HB LEU 69 -6.028 -5.346 -10.188 568 2HB LEU 69 1HB LEU 69 -6.239 -3.779 -10.946 569 HG LEU 69 HG LEU 69 -4.989 -2.696 -9.183 570 1HD1 LEU 69 1HD1 LEU 69 -4.003 -3.908 -7.346 571 2HD1 LEU 69 2HD1 LEU 69 -4.691 -5.421 -7.935 572 3HD1 LEU 69 3HD1 LEU 69 -5.751 -4.144 -7.338 573 1HD2 LEU 69 1HD2 LEU 69 -3.213 -4.996 -9.669 574 2HD2 LEU 69 2HD2 LEU 69 -2.966 -3.278 -9.987 575 3HD2 LEU 69 3HD2 LEU 69 -3.923 -4.252 -11.103 576 H GLU 70 H GLU 70 -8.135 -2.282 -10.881 577 HA GLU 70 HA GLU 70 -7.375 0.036 -9.577 578 1HB GLU 70 2HB GLU 70 -8.628 -0.575 -11.961 579 2HB GLU 70 1HB GLU 70 -9.851 0.351 -11.102 580 1HG GLU 70 2HG GLU 70 -8.811 2.245 -11.561 581 2HG GLU 70 1HG GLU 70 -7.318 1.648 -10.835 582 H GLU 71 H GLU 71 -10.563 -1.545 -9.540 583 HA GLU 71 HA GLU 71 -11.693 0.308 -7.699 584 1HB GLU 71 2HB GLU 71 -13.617 -1.067 -7.705 585 2HB GLU 71 1HB GLU 71 -12.960 -1.169 -9.332 586 1HG GLU 71 2HG GLU 71 -11.867 -3.315 -8.670 587 2HG GLU 71 1HG GLU 71 -12.748 -3.221 -7.146 588 H ALA 72 H ALA 72 -10.004 -2.746 -7.404 589 HA ALA 72 HA ALA 72 -10.620 -3.470 -4.804 590 1HB ALA 72 1HB ALA 72 -7.990 -4.166 -4.976 591 2HB ALA 72 2HB ALA 72 -8.430 -3.999 -6.676 592 3HB ALA 72 3HB ALA 72 -9.329 -5.104 -5.637 593 H GLY 73 H GLY 73 -8.651 -0.860 -5.962 594 1HA GLY 73 2HA GLY 73 -7.521 -0.374 -3.309 595 2HA GLY 73 1HA GLY 73 -7.098 0.474 -4.788 596 H ALA 74 H ALA 74 -9.916 0.945 -5.499 597 HA ALA 74 HA ALA 74 -10.490 3.052 -3.517 598 1HB ALA 74 1HB ALA 74 -9.818 3.499 -6.069 599 2HB ALA 74 2HB ALA 74 -10.907 4.548 -5.161 600 3HB ALA 74 3HB ALA 74 -11.563 3.330 -6.255 601 H LYS 75 H LYS 75 -11.486 0.363 -3.326 602 HA LYS 75 HA LYS 75 -14.316 0.648 -4.045 603 1HB LYS 75 2HB LYS 75 -14.454 -1.767 -3.356 604 2HB LYS 75 1HB LYS 75 -13.411 -1.451 -4.736 605 1HG LYS 75 2HG LYS 75 -11.580 -2.171 -3.671 606 2HG LYS 75 1HG LYS 75 -12.029 -1.382 -2.160 607 1HD LYS 75 2HD LYS 75 -13.334 -3.185 -1.465 608 2HD LYS 75 1HD LYS 75 -13.471 -3.836 -3.100 609 1HE LYS 75 2HE LYS 75 -10.714 -3.670 -2.206 610 2HE LYS 75 1HE LYS 75 -11.703 -4.661 -1.135 611 1HZ LYS 75 1HZ LYS 75 -12.058 -5.129 -3.978 612 2HZ LYS 75 2HZ LYS 75 -11.974 -6.235 -2.700 613 3HZ LYS 75 3HZ LYS 75 -10.554 -5.582 -3.347 614 H ILE 76 H ILE 76 -15.710 -0.648 -2.276 615 HA ILE 76 HA ILE 76 -15.314 0.857 0.202 616 HB ILE 76 HB ILE 76 -17.661 0.076 0.717 617 1HG1 ILE 76 2HG1 ILE 76 -17.701 -0.666 -2.213 618 2HG1 ILE 76 1HG1 ILE 76 -17.553 -1.848 -0.917 619 1HG2 ILE 76 1HG2 ILE 76 -16.823 1.964 -1.382 620 2HG2 ILE 76 2HG2 ILE 76 -17.784 2.233 0.073 621 3HG2 ILE 76 3HG2 ILE 76 -18.537 1.546 -1.366 622 1HD1 ILE 76 1HD1 ILE 76 -19.890 -0.224 -1.752 623 2HD1 ILE 76 2HD1 ILE 76 -19.735 -0.660 -0.050 624 3HD1 ILE 76 3HD1 ILE 76 -19.795 -1.921 -1.282 625 H ASN 77 H ASN 77 -15.440 -0.152 2.252 626 HA ASN 77 HA ASN 77 -15.231 -1.821 3.804 627 1HB ASN 77 2HB ASN 77 -16.648 -3.105 1.825 628 2HB ASN 77 1HB ASN 77 -15.216 -4.119 1.980 629 1HD2 ASN 77 1HD2 ASN 77 -14.786 -5.127 3.962 630 2HD2 ASN 77 2HD2 ASN 77 -16.026 -5.361 5.143 631 H HIS 78 H HIS 78 -13.620 -2.778 0.766 632 HA HIS 78 HA HIS 78 -11.446 -3.202 0.273 633 1HB HIS 78 2HB HIS 78 -11.258 -1.480 2.639 634 2HB HIS 78 1HB HIS 78 -9.873 -2.546 2.433 635 HD1 HIS 78 HD1 HIS 78 -8.106 -1.106 1.460 636 HD2 HIS 78 HD2 HIS 78 -11.784 -0.512 -0.380 637 HE1 HIS 78 HE1 HIS 78 -7.660 0.485 -0.436 638 HE2 HIS 78 HE2 HIS 78 -9.910 0.874 -1.501 639 H THR 79 H THR 79 -13.232 -4.903 2.237 640 HA THR 79 HA THR 79 -13.059 -6.833 3.454 641 HB THR 79 HB THR 79 -10.801 -7.786 1.805 642 HG1 THR 79 HG1 THR 79 -13.235 -6.923 0.636 643 1HG2 THR 79 1HG2 THR 79 -13.366 -9.055 1.411 644 2HG2 THR 79 2HG2 THR 79 -12.926 -8.961 3.117 645 3HG2 THR 79 3HG2 THR 79 -11.838 -9.737 1.967 646 H THR 80 H THR 80 -10.897 -8.565 3.923 647 HA THR 80 HA THR 80 -8.629 -7.231 4.969 648 HB THR 80 HB THR 80 -10.218 -6.410 6.627 649 HG1 THR 80 HG1 THR 80 -8.542 -8.454 7.653 650 1HG2 THR 80 1HG2 THR 80 -10.756 -8.819 8.062 651 2HG2 THR 80 2HG2 THR 80 -11.400 -8.941 6.424 652 3HG2 THR 80 3HG2 THR 80 -11.878 -7.598 7.462 653 H LEU 81 H LEU 81 -7.409 -8.844 4.112 654 HA LEU 81 HA LEU 81 -6.176 -10.768 4.258 655 1HB LEU 81 2HB LEU 81 -8.173 -11.923 6.185 656 2HB LEU 81 1HB LEU 81 -6.496 -12.377 5.956 657 HG LEU 81 HG LEU 81 -6.919 -9.588 6.813 658 1HD1 LEU 81 1HD1 LEU 81 -7.780 -9.933 8.880 659 2HD1 LEU 81 2HD1 LEU 81 -7.137 -11.570 8.999 660 3HD1 LEU 81 3HD1 LEU 81 -8.588 -11.260 8.046 661 1HD2 LEU 81 1HD2 LEU 81 -5.007 -11.818 7.246 662 2HD2 LEU 81 2HD2 LEU 81 -5.136 -10.584 8.499 663 3HD2 LEU 81 3HD2 LEU 81 -4.706 -10.125 6.852 664 H LYS 82 H LYS 82 -9.701 -11.223 4.239 665 HA LYS 82 HA LYS 82 -9.842 -13.675 2.982 666 1HB LYS 82 2HB LYS 82 -11.640 -11.627 3.662 667 2HB LYS 82 1HB LYS 82 -11.877 -11.907 1.943 668 1HG LYS 82 2HG LYS 82 -12.022 -13.989 4.113 669 2HG LYS 82 1HG LYS 82 -13.390 -13.263 3.267 670 1HD LYS 82 2HD LYS 82 -12.696 -14.243 1.187 671 2HD LYS 82 1HD LYS 82 -11.195 -14.824 1.911 672 1HE LYS 82 2HE LYS 82 -13.040 -15.930 3.565 673 2HE LYS 82 1HE LYS 82 -13.913 -15.935 2.033 674 1HZ LYS 82 1HZ LYS 82 -12.819 -17.879 1.800 675 2HZ LYS 82 2HZ LYS 82 -11.554 -17.442 2.833 676 3HZ LYS 82 3HZ LYS 82 -11.573 -16.881 1.237 677 H ILE 83 H ILE 83 -10.073 -10.513 1.335 678 HA ILE 83 HA ILE 83 -10.025 -11.445 -1.267 679 HB ILE 83 HB ILE 83 -9.017 -9.218 -1.868 680 1HG1 ILE 83 2HG1 ILE 83 -9.336 -7.751 0.445 681 2HG1 ILE 83 1HG1 ILE 83 -8.560 -9.220 1.027 682 1HG2 ILE 83 1HG2 ILE 83 -10.998 -7.921 -1.037 683 2HG2 ILE 83 2HG2 ILE 83 -11.447 -9.346 -0.099 684 3HG2 ILE 83 3HG2 ILE 83 -11.383 -9.433 -1.859 685 1HD1 ILE 83 1HD1 ILE 83 -6.733 -8.897 -0.526 686 2HD1 ILE 83 2HD1 ILE 83 -6.951 -7.463 0.476 687 3HD1 ILE 83 3HD1 ILE 83 -7.526 -7.469 -1.190 688 H LEU 84 H LEU 84 -7.400 -11.094 1.000 689 HA LEU 84 HA LEU 84 -5.304 -11.324 -0.923 690 1HB LEU 84 2HB LEU 84 -4.837 -10.303 1.208 691 2HB LEU 84 1HB LEU 84 -5.361 -11.738 2.065 692 HG LEU 84 HG LEU 84 -3.281 -12.561 0.341 693 1HD1 LEU 84 1HD1 LEU 84 -2.497 -10.334 0.068 694 2HD1 LEU 84 2HD1 LEU 84 -1.434 -11.122 1.235 695 3HD1 LEU 84 3HD1 LEU 84 -2.673 -9.996 1.790 696 1HD2 LEU 84 1HD2 LEU 84 -2.494 -13.527 2.227 697 2HD2 LEU 84 2HD2 LEU 84 -4.088 -13.089 2.841 698 3HD2 LEU 84 3HD2 LEU 84 -2.696 -12.064 3.192 699 H GLU 85 H GLU 85 -6.929 -13.593 1.271 700 HA GLU 85 HA GLU 85 -5.388 -15.840 0.400 701 1HB GLU 85 2HB GLU 85 -7.149 -17.169 1.602 702 2HB GLU 85 1HB GLU 85 -6.349 -15.953 2.586 703 1HG GLU 85 2HG GLU 85 -8.244 -14.474 2.358 704 2HG GLU 85 1HG GLU 85 -9.040 -15.619 1.280 705 H GLY 86 H GLY 86 -8.104 -14.146 -0.834 706 1HA GLY 86 2HA GLY 86 -8.963 -16.407 -2.478 707 2HA GLY 86 1HA GLY 86 -9.771 -14.852 -2.347 708 H HIS 87 H HIS 87 -7.210 -13.390 -2.738 709 HA HIS 87 HA HIS 87 -5.996 -14.075 -5.162 710 1HB HIS 87 2HB HIS 87 -8.511 -13.499 -5.782 711 2HB HIS 87 1HB HIS 87 -7.902 -11.848 -5.717 712 HD1 HIS 87 HD1 HIS 87 -7.038 -15.125 -7.443 713 HD2 HIS 87 HD2 HIS 87 -6.765 -11.021 -8.031 714 HE1 HIS 87 HE1 HIS 87 -6.132 -14.839 -9.772 715 HE2 HIS 87 HE2 HIS 87 -5.876 -12.349 -10.065 716 H LEU 88 HN LEU 88 -4.418 -13.303 -3.532 717 HA LEU 88 HA LEU 88 -4.301 -10.547 -2.840 718 1HB LEU 88 2HB LEU 88 -2.248 -11.019 -1.813 719 2HB LEU 88 1HB LEU 88 -3.191 -12.482 -1.627 720 HG LEU 88 HG LEU 88 -1.046 -13.238 -2.168 721 1HD1 LEU 88 1HD1 LEU 88 -2.584 -13.136 -4.758 722 2HD1 LEU 88 2HD1 LEU 88 -2.727 -14.363 -3.499 723 3HD1 LEU 88 3HD1 LEU 88 -1.227 -14.209 -4.413 724 1HD2 LEU 88 1HD2 LEU 88 -0.650 -11.708 -4.648 725 2HD2 LEU 88 2HD2 LEU 88 0.498 -12.142 -3.380 726 3HD2 LEU 88 3HD2 LEU 88 -0.583 -10.767 -3.158 Start of MODEL 10 1 1H LEU 1 1H LEU 1 -9.626 18.760 -2.062 2 2H LEU 1 2H LEU 1 -8.081 19.027 -2.763 3 3H LEU 1 3H LEU 1 -8.602 17.431 -2.408 4 HA LEU 1 HA LEU 1 -10.048 19.181 -4.259 5 1HB LEU 1 2HB LEU 1 -8.770 17.689 -5.976 6 2HB LEU 1 1HB LEU 1 -8.009 19.130 -5.329 7 HG LEU 1 HG LEU 1 -7.490 16.610 -3.862 8 1HD1 LEU 1 1HD1 LEU 1 -7.393 15.931 -6.247 9 2HD1 LEU 1 2HD1 LEU 1 -5.841 15.824 -5.416 10 3HD1 LEU 1 3HD1 LEU 1 -6.165 17.169 -6.510 11 1HD2 LEU 1 1HD2 LEU 1 -6.158 19.185 -4.460 12 2HD2 LEU 1 2HD2 LEU 1 -5.118 17.781 -4.224 13 3HD2 LEU 1 3HD2 LEU 1 -6.240 18.271 -2.955 14 H PHE 2 H PHE 2 -11.819 18.065 -3.089 15 HA PHE 2 HA PHE 2 -13.333 16.382 -2.768 16 1HB PHE 2 2HB PHE 2 -14.054 15.304 -4.909 17 2HB PHE 2 1HB PHE 2 -13.961 17.059 -4.981 18 HD1 PHE 2 HD1 PHE 2 -12.614 13.923 -6.226 19 HD2 PHE 2 HD2 PHE 2 -12.173 18.156 -6.246 20 HE1 PHE 2 HE1 PHE 2 -11.161 13.758 -8.202 21 HE2 PHE 2 HE2 PHE 2 -10.720 17.999 -8.224 22 HZ PHE 2 HZ PHE 2 -10.211 15.798 -9.205 23 H ILE 3 H ILE 3 -11.265 15.447 -1.551 24 HA ILE 3 HA ILE 3 -10.351 13.530 -0.744 25 HB ILE 3 HB ILE 3 -12.675 12.634 -1.938 26 1HG1 ILE 3 2HG1 ILE 3 -11.776 12.099 0.312 27 2HG1 ILE 3 1HG1 ILE 3 -12.405 10.685 -0.529 28 1HG2 ILE 3 1HG2 ILE 3 -12.265 10.686 -3.190 29 2HG2 ILE 3 2HG2 ILE 3 -10.542 10.708 -2.813 30 3HG2 ILE 3 3HG2 ILE 3 -11.223 11.919 -3.897 31 1HD1 ILE 3 1HD1 ILE 3 -9.936 10.346 -1.253 32 2HD1 ILE 3 2HD1 ILE 3 -10.447 9.891 0.373 33 3HD1 ILE 3 3HD1 ILE 3 -9.585 11.407 0.110 34 H ALA 4 H ALA 4 -8.421 12.536 -1.055 35 HA ALA 4 HA ALA 4 -7.180 12.921 -3.679 36 1HB ALA 4 1HB ALA 4 -5.821 12.177 -1.096 37 2HB ALA 4 2HB ALA 4 -6.103 13.839 -1.613 38 3HB ALA 4 3HB ALA 4 -5.071 12.779 -2.574 39 H THR 5 H THR 5 -7.020 11.265 -5.023 40 HA THR 5 HA THR 5 -6.681 8.561 -3.918 41 HB THR 5 HB THR 5 -8.091 7.745 -5.859 42 HG1 THR 5 HG1 THR 5 -8.670 10.512 -5.997 43 1HG2 THR 5 1HG2 THR 5 -9.853 9.485 -4.232 44 2HG2 THR 5 2HG2 THR 5 -8.900 8.252 -3.406 45 3HG2 THR 5 3HG2 THR 5 -10.029 7.788 -4.679 46 H LEU 6 H LEU 6 -4.500 8.482 -4.367 47 HA LEU 6 HA LEU 6 -3.757 8.683 -7.212 48 1HB LEU 6 2HB LEU 6 -2.406 9.562 -4.734 49 2HB LEU 6 1HB LEU 6 -1.374 8.834 -5.951 50 HG LEU 6 HG LEU 6 -3.162 11.232 -6.368 51 1HD1 LEU 6 1HD1 LEU 6 -1.326 12.582 -6.154 52 2HD1 LEU 6 2HD1 LEU 6 -0.193 11.294 -6.562 53 3HD1 LEU 6 3HD1 LEU 6 -0.942 11.336 -4.967 54 1HD2 LEU 6 1HD2 LEU 6 -3.080 10.437 -8.489 55 2HD2 LEU 6 2HD2 LEU 6 -1.609 9.507 -8.202 56 3HD2 LEU 6 3HD2 LEU 6 -1.514 11.248 -8.467 57 H LYS 7 H LYS 7 -2.248 7.162 -8.033 58 HA LYS 7 HA LYS 7 -1.700 4.808 -6.393 59 1HB LYS 7 2HB LYS 7 -2.439 3.350 -8.340 60 2HB LYS 7 1HB LYS 7 -3.718 4.100 -7.395 61 1HG LYS 7 2HG LYS 7 -4.556 4.755 -9.348 62 2HG LYS 7 1HG LYS 7 -3.261 5.955 -9.365 63 1HD LYS 7 2HD LYS 7 -2.814 4.998 -11.369 64 2HD LYS 7 1HD LYS 7 -1.929 3.852 -10.361 65 1HE LYS 7 2HE LYS 7 -4.804 3.305 -10.776 66 2HE LYS 7 1HE LYS 7 -3.758 3.115 -12.182 67 1HZ LYS 7 1HZ LYS 7 -2.416 1.555 -10.987 68 2HZ LYS 7 2HZ LYS 7 -4.030 1.062 -10.870 69 3HZ LYS 7 3HZ LYS 7 -3.280 1.816 -9.556 70 H GLY 8 H GLY 8 -0.116 3.349 -7.397 71 1HA GLY 8 2HA GLY 8 1.525 4.678 -9.454 72 2HA GLY 8 1HA GLY 8 2.264 4.097 -7.970 73 H ILE 9 H ILE 9 1.503 3.340 -11.142 74 HA ILE 9 HA ILE 9 1.298 0.480 -10.793 75 HB ILE 9 HB ILE 9 0.122 1.559 -12.646 76 1HG1 ILE 9 2HG1 ILE 9 2.327 -0.164 -13.781 77 2HG1 ILE 9 1HG1 ILE 9 1.022 -0.815 -12.793 78 1HG2 ILE 9 1HG2 ILE 9 1.044 2.996 -14.089 79 2HG2 ILE 9 2HG2 ILE 9 2.481 2.000 -14.309 80 3HG2 ILE 9 3HG2 ILE 9 2.367 3.090 -12.928 81 1HD1 ILE 9 1HD1 ILE 9 -0.570 -0.424 -14.415 82 2HD1 ILE 9 2HD1 ILE 9 0.839 -0.895 -15.365 83 3HD1 ILE 9 3HD1 ILE 9 0.402 0.807 -15.221 84 H PHE 10 H PHE 10 3.285 0.199 -9.601 85 HA PHE 10 HA PHE 10 5.810 0.738 -10.851 86 1HB PHE 10 2HB PHE 10 4.931 -0.689 -8.361 87 2HB PHE 10 1HB PHE 10 6.591 -0.828 -8.919 88 HD1 PHE 10 HD1 PHE 10 4.016 1.758 -8.182 89 HD2 PHE 10 HD2 PHE 10 8.140 0.716 -8.192 90 HE1 PHE 10 HE1 PHE 10 4.552 3.887 -7.074 91 HE2 PHE 10 HE2 PHE 10 8.685 2.842 -7.083 92 HZ PHE 10 HZ PHE 10 6.890 4.431 -6.521 93 H THR 11 H THR 11 7.220 -0.708 -11.830 94 HA THR 11 HA THR 11 6.603 -3.506 -12.038 95 HB THR 11 HB THR 11 5.046 -2.614 -13.703 96 HG1 THR 11 HG1 THR 11 7.261 -3.810 -14.997 97 1HG2 THR 11 1HG2 THR 11 7.107 -1.781 -15.598 98 2HG2 THR 11 2HG2 THR 11 6.872 -0.684 -14.237 99 3HG2 THR 11 3HG2 THR 11 5.510 -1.103 -15.277 100 H LEU 12 H LEU 12 8.186 -4.731 -13.126 101 HA LEU 12 HA LEU 12 10.343 -5.317 -13.514 102 1HB LEU 12 2HB LEU 12 9.779 -3.546 -15.386 103 2HB LEU 12 1HB LEU 12 10.947 -2.570 -14.514 104 HG LEU 12 HG LEU 12 12.137 -5.109 -14.878 105 1HD1 LEU 12 1HD1 LEU 12 10.224 -4.967 -16.771 106 2HD1 LEU 12 2HD1 LEU 12 11.767 -5.795 -16.988 107 3HD1 LEU 12 3HD1 LEU 12 11.553 -4.154 -17.598 108 1HD2 LEU 12 1HD2 LEU 12 13.513 -3.636 -16.557 109 2HD2 LEU 12 2HD2 LEU 12 13.585 -3.332 -14.821 110 3HD2 LEU 12 3HD2 LEU 12 12.565 -2.327 -15.852 111 H LYS 13 H LYS 13 12.547 -4.986 -12.809 112 HA LYS 13 HA LYS 13 12.752 -4.151 -10.174 113 1HB LYS 13 2HB LYS 13 14.692 -4.890 -12.288 114 2HB LYS 13 1HB LYS 13 15.335 -3.984 -10.924 115 1HG LYS 13 2HG LYS 13 13.583 -6.237 -10.220 116 2HG LYS 13 1HG LYS 13 15.101 -6.674 -11.002 117 1HD LYS 13 2HD LYS 13 15.101 -6.557 -8.458 118 2HD LYS 13 1HD LYS 13 16.388 -5.690 -9.295 119 1HE LYS 13 2HE LYS 13 13.897 -4.200 -8.674 120 2HE LYS 13 1HE LYS 13 14.965 -4.598 -7.332 121 1HZ LYS 13 1HZ LYS 13 16.670 -3.640 -9.201 122 2HZ LYS 13 2HZ LYS 13 16.040 -2.749 -7.909 123 3HZ LYS 13 3HZ LYS 13 15.306 -2.664 -9.430 124 H ASP 14 H ASP 14 12.861 -2.298 -13.072 125 HA ASP 14 HA ASP 14 14.145 -0.008 -11.848 126 1HB ASP 14 2HB ASP 14 14.427 -0.603 -14.277 127 2HB ASP 14 1HB ASP 14 12.742 -0.153 -14.523 128 H LEU 15 H LEU 15 11.218 -1.315 -11.420 129 HA LEU 15 HA LEU 15 9.234 0.429 -11.879 130 1HB LEU 15 2HB LEU 15 8.059 -0.438 -10.006 131 2HB LEU 15 1HB LEU 15 8.992 -1.732 -10.720 132 HG LEU 15 HG LEU 15 9.982 -0.234 -8.310 133 1HD1 LEU 15 1HD1 LEU 15 8.129 -1.010 -7.284 134 2HD1 LEU 15 2HD1 LEU 15 9.061 -2.506 -7.242 135 3HD1 LEU 15 3HD1 LEU 15 7.847 -2.259 -8.496 136 1HD2 LEU 15 1HD2 LEU 15 11.557 -1.659 -9.612 137 2HD2 LEU 15 2HD2 LEU 15 10.513 -3.038 -9.284 138 3HD2 LEU 15 3HD2 LEU 15 11.316 -2.204 -7.955 139 HA PRO 16 HA PRO 16 10.479 3.052 -7.856 140 1HB PRO 16 2HB PRO 16 13.206 3.580 -7.976 141 2HB PRO 16 1HB PRO 16 12.424 2.470 -6.849 142 1HG PRO 16 2HG PRO 16 13.790 1.885 -9.443 143 2HG PRO 16 1HG PRO 16 13.859 0.990 -7.912 144 1HD PRO 16 2HD PRO 16 12.366 0.099 -9.900 145 2HD PRO 16 1HD PRO 16 11.765 0.034 -8.238 146 H GLU 17 H GLU 17 9.373 4.040 -9.846 147 HA GLU 17 HA GLU 17 10.889 5.629 -11.640 148 1HB GLU 17 2HB GLU 17 8.675 6.715 -12.116 149 2HB GLU 17 1HB GLU 17 8.700 4.967 -12.304 150 1HG GLU 17 2HG GLU 17 6.945 4.845 -10.967 151 2HG GLU 17 1HG GLU 17 7.955 5.436 -9.648 152 H GLU 18 H GLU 18 12.240 6.462 -9.768 153 HA GLU 18 HA GLU 18 11.798 9.187 -9.444 154 1HB GLU 18 2HB GLU 18 10.348 7.612 -7.571 155 2HB GLU 18 1HB GLU 18 11.633 8.439 -6.702 156 1HG GLU 18 2HG GLU 18 10.047 10.058 -8.598 157 2HG GLU 18 1HG GLU 18 9.237 9.516 -7.129 158 H PHE 19 H PHE 19 13.144 6.384 -7.811 159 HA PHE 19 HA PHE 19 15.814 7.217 -8.237 160 1HB PHE 19 2HB PHE 19 14.525 8.035 -5.712 161 2HB PHE 19 1HB PHE 19 16.110 7.288 -5.541 162 HD1 PHE 19 HD1 PHE 19 17.725 8.212 -7.626 163 HD2 PHE 19 HD2 PHE 19 14.626 10.315 -5.606 164 HE1 PHE 19 HE1 PHE 19 18.795 10.348 -8.218 165 HE2 PHE 19 HE2 PHE 19 15.688 12.455 -6.194 166 HZ PHE 19 HZ PHE 19 17.776 12.472 -7.502 167 H ARG 20 H ARG 20 14.780 5.717 -5.217 168 HA ARG 20 HA ARG 20 15.908 3.178 -6.192 169 1HB ARG 20 2HB ARG 20 16.410 4.722 -3.820 170 2HB ARG 20 1HB ARG 20 15.782 3.144 -3.368 171 1HG ARG 20 2HG ARG 20 17.695 2.687 -5.375 172 2HG ARG 20 1HG ARG 20 18.399 3.863 -4.265 173 1HD ARG 20 2HD ARG 20 17.201 1.202 -3.511 174 2HD ARG 20 1HD ARG 20 18.922 1.579 -3.580 175 HE ARG 20 HE ARG 20 18.150 3.386 -1.835 176 1HH1 ARG 20 2HH1 ARG 20 17.179 0.036 -2.057 177 2HH1 ARG 20 1HH1 ARG 20 16.873 -0.112 -0.360 178 1HH2 ARG 20 1HH2 ARG 20 17.747 3.185 0.394 179 2HH2 ARG 20 2HH2 ARG 20 17.195 1.671 1.030 180 HA PRO 21 HA PRO 21 11.998 1.233 -5.550 181 1HB PRO 21 2HB PRO 21 12.759 -1.320 -5.128 182 2HB PRO 21 1HB PRO 21 12.896 -0.541 -6.708 183 1HG PRO 21 2HG PRO 21 15.003 -0.983 -4.627 184 2HG PRO 21 1HG PRO 21 15.102 -1.206 -6.383 185 1HD PRO 21 2HD PRO 21 16.067 0.995 -5.112 186 2HD PRO 21 1HD PRO 21 15.440 1.035 -6.772 187 H PHE 22 H PHE 22 10.717 1.399 -3.846 188 HA PHE 22 HA PHE 22 11.731 1.160 -1.157 189 1HB PHE 22 2HB PHE 22 10.084 2.881 -1.651 190 2HB PHE 22 1HB PHE 22 8.944 1.669 -2.223 191 HD1 PHE 22 HD1 PHE 22 11.079 1.621 0.817 192 HD2 PHE 22 HD2 PHE 22 7.141 1.852 -0.779 193 HE1 PHE 22 HE1 PHE 22 10.151 1.428 3.088 194 HE2 PHE 22 HE2 PHE 22 6.205 1.660 1.489 195 HZ PHE 22 HZ PHE 22 7.712 1.446 3.426 196 H VAL 23 H VAL 23 9.627 -0.677 -3.306 197 HA VAL 23 HA VAL 23 8.921 -2.636 -1.341 198 HB VAL 23 HB VAL 23 8.065 -3.945 -3.270 199 1HG1 VAL 23 1HG1 VAL 23 7.008 -1.245 -3.803 200 2HG1 VAL 23 2HG1 VAL 23 6.991 -1.763 -2.117 201 3HG1 VAL 23 3HG1 VAL 23 6.167 -2.726 -3.344 202 1HG2 VAL 23 1HG2 VAL 23 8.944 -1.601 -4.950 203 2HG2 VAL 23 2HG2 VAL 23 8.149 -3.077 -5.499 204 3HG2 VAL 23 3HG2 VAL 23 9.799 -3.144 -4.878 205 H ASP 24 H ASP 24 11.763 -2.031 -3.013 206 HA ASP 24 HA ASP 24 12.754 -4.453 -3.832 207 1HB ASP 24 2HB ASP 24 13.808 -1.945 -3.449 208 2HB ASP 24 1HB ASP 24 14.699 -2.902 -2.271 209 H TYR 25 H TYR 25 12.242 -3.304 -0.579 210 HA TYR 25 HA TYR 25 13.815 -5.142 0.826 211 1HB TYR 25 2HB TYR 25 12.643 -4.476 2.750 212 2HB TYR 25 1HB TYR 25 12.541 -3.072 1.695 213 HD1 TYR 25 HD1 TYR 25 10.726 -5.046 3.880 214 HD2 TYR 25 HD2 TYR 25 10.369 -3.182 0.073 215 HE1 TYR 25 HE1 TYR 25 8.278 -5.064 4.108 216 HE2 TYR 25 HE2 TYR 25 7.920 -3.194 0.290 217 HH TYR 25 HH TYR 25 6.306 -3.416 2.905 218 H LYS 26 H LYS 26 10.614 -5.400 -0.583 219 HA LYS 26 HA LYS 26 9.898 -7.874 0.593 220 1HB LYS 26 2HB LYS 26 8.331 -6.275 -0.563 221 2HB LYS 26 1HB LYS 26 9.008 -6.813 -2.094 222 1HG LYS 26 2HG LYS 26 8.236 -9.072 -1.672 223 2HG LYS 26 1HG LYS 26 7.615 -8.582 -0.094 224 1HD LYS 26 2HD LYS 26 5.803 -7.541 -0.981 225 2HD LYS 26 1HD LYS 26 6.676 -7.024 -2.426 226 1HE LYS 26 2HE LYS 26 5.018 -8.629 -3.076 227 2HE LYS 26 1HE LYS 26 6.608 -9.373 -3.235 228 1HZ LYS 26 1HZ LYS 26 4.669 -10.641 -2.085 229 2HZ LYS 26 2HZ LYS 26 5.114 -9.728 -0.732 230 3HZ LYS 26 3HZ LYS 26 6.239 -10.756 -1.466 231 H ALA 27 H ALA 27 11.893 -6.965 -2.100 232 HA ALA 27 HA ALA 27 11.984 -9.478 -3.412 233 1HB ALA 27 1HB ALA 27 12.657 -7.197 -4.334 234 2HB ALA 27 2HB ALA 27 13.691 -8.568 -4.738 235 3HB ALA 27 3HB ALA 27 14.182 -7.434 -3.480 236 H GLY 28 H GLY 28 13.625 -8.127 -0.652 237 1HA GLY 28 2HA GLY 28 15.195 -10.625 -0.444 238 2HA GLY 28 1HA GLY 28 15.864 -9.061 -0.001 239 H LEU 29 H LEU 29 12.544 -9.769 0.723 240 HA LEU 29 HA LEU 29 13.059 -9.441 3.532 241 1HB LEU 29 2HB LEU 29 11.040 -8.576 2.213 242 2HB LEU 29 1HB LEU 29 10.428 -10.216 2.307 243 HG LEU 29 HG LEU 29 10.367 -10.104 4.729 244 1HD1 LEU 29 1HD1 LEU 29 12.067 -8.807 5.517 245 2HD1 LEU 29 2HD1 LEU 29 10.745 -7.645 5.624 246 3HD1 LEU 29 3HD1 LEU 29 11.865 -7.584 4.264 247 1HD2 LEU 29 1HD2 LEU 29 8.972 -8.103 3.062 248 2HD2 LEU 29 2HD2 LEU 29 8.876 -7.882 4.809 249 3HD2 LEU 29 3HD2 LEU 29 8.322 -9.389 4.079 250 H GLU 30 H GLU 30 13.172 -12.079 1.491 251 HA GLU 30 HA GLU 30 13.356 -13.899 3.693 252 1HB GLU 30 2HB GLU 30 10.852 -13.680 3.169 253 2HB GLU 30 1HB GLU 30 11.211 -14.545 1.680 254 1HG GLU 30 2HG GLU 30 12.274 -15.822 4.084 255 2HG GLU 30 1HG GLU 30 10.516 -15.696 4.047 256 H LYS 31 H LYS 31 15.201 -13.123 1.818 257 HA LYS 31 HA LYS 31 16.744 -13.921 0.354 258 1HB LYS 31 2HB LYS 31 15.682 -16.674 0.972 259 2HB LYS 31 1HB LYS 31 17.315 -16.225 0.498 260 1HG LYS 31 2HG LYS 31 17.602 -15.061 2.639 261 2HG LYS 31 1HG LYS 31 15.978 -15.561 3.114 262 1HD LYS 31 2HD LYS 31 18.225 -17.445 2.406 263 2HD LYS 31 1HD LYS 31 17.759 -17.008 4.051 264 1HE LYS 31 2HE LYS 31 16.142 -18.532 4.047 265 2HE LYS 31 1HE LYS 31 15.448 -17.850 2.577 266 1HZ LYS 31 1HZ LYS 31 16.329 -20.289 2.629 267 2HZ LYS 31 2HZ LYS 31 17.827 -19.553 2.354 268 3HZ LYS 31 3HZ LYS 31 16.559 -19.326 1.257 269 H LYS 32 H LYS 32 14.434 -13.041 -0.811 270 HA LYS 32 HA LYS 32 13.714 -15.014 -2.846 271 1HB LYS 32 2HB LYS 32 11.882 -13.798 -1.786 272 2HB LYS 32 1HB LYS 32 12.590 -12.266 -2.276 273 1HG LYS 32 2HG LYS 32 11.911 -12.481 -4.436 274 2HG LYS 32 1HG LYS 32 11.986 -14.245 -4.401 275 1HD LYS 32 2HD LYS 32 9.690 -13.685 -4.524 276 2HD LYS 32 1HD LYS 32 9.985 -14.169 -2.853 277 1HE LYS 32 2HE LYS 32 9.891 -11.966 -2.077 278 2HE LYS 32 1HE LYS 32 10.128 -11.293 -3.688 279 1HZ LYS 32 1HZ LYS 32 7.910 -10.993 -3.501 280 2HZ LYS 32 2HZ LYS 32 7.693 -12.282 -2.427 281 3HZ LYS 32 3HZ LYS 32 7.865 -12.582 -4.083 282 H LYS 33 H LYS 33 15.883 -12.457 -2.406 283 HA LYS 33 HA LYS 33 17.365 -11.429 -3.788 284 1HB LYS 33 2HB LYS 33 16.415 -13.259 -5.986 285 2HB LYS 33 1HB LYS 33 17.979 -12.469 -5.840 286 1HG LYS 33 2HG LYS 33 17.833 -13.956 -3.538 287 2HG LYS 33 1HG LYS 33 17.044 -14.990 -4.730 288 1HD LYS 33 2HD LYS 33 19.779 -13.743 -5.005 289 2HD LYS 33 1HD LYS 33 19.448 -15.432 -4.610 290 1HE LYS 33 2HE LYS 33 18.934 -13.974 -7.185 291 2HE LYS 33 1HE LYS 33 19.921 -15.410 -6.915 292 1HZ LYS 33 1HZ LYS 33 16.961 -15.235 -6.783 293 2HZ LYS 33 2HZ LYS 33 17.849 -16.604 -6.339 294 3HZ LYS 33 3HZ LYS 33 17.881 -16.059 -7.940 295 H LEU 34 H LEU 34 17.406 -10.510 -6.263 296 HA LEU 34 HA LEU 34 14.959 -8.898 -6.430 297 1HB LEU 34 2HB LEU 34 16.668 -7.626 -8.089 298 2HB LEU 34 1HB LEU 34 16.505 -7.266 -6.382 299 HG LEU 34 HG LEU 34 18.526 -9.270 -7.336 300 1HD1 LEU 34 1HD1 LEU 34 20.040 -7.094 -7.002 301 2HD1 LEU 34 2HD1 LEU 34 18.580 -6.329 -7.628 302 3HD1 LEU 34 3HD1 LEU 34 19.392 -7.581 -8.568 303 1HD2 LEU 34 1HD2 LEU 34 17.878 -7.838 -4.845 304 2HD2 LEU 34 2HD2 LEU 34 19.593 -7.968 -5.231 305 3HD2 LEU 34 3HD2 LEU 34 18.609 -9.424 -5.089 306 H SER 35 H SER 35 13.546 -9.439 -7.933 307 HA SER 35 HA SER 35 14.455 -10.918 -10.295 308 1HB SER 35 2HB SER 35 11.555 -10.520 -9.849 309 2HB SER 35 1HB SER 35 12.436 -11.973 -10.321 310 HG SER 35 HG SER 35 11.883 -10.967 -7.774 311 H ASP 36 H ASP 36 14.605 -9.948 -12.201 312 HA ASP 36 HA ASP 36 13.968 -7.206 -12.545 313 1HB ASP 36 2HB ASP 36 14.554 -7.676 -14.965 314 2HB ASP 36 1HB ASP 36 15.805 -8.069 -13.789 315 H ASP 37 H ASP 37 12.105 -10.049 -12.854 316 HA ASP 37 HA ASP 37 10.176 -8.756 -14.639 317 1HB ASP 37 2HB ASP 37 11.081 -11.328 -14.596 318 2HB ASP 37 1HB ASP 37 9.594 -11.477 -13.663 319 H ASP 38 H ASP 38 10.637 -8.052 -11.761 320 HA ASP 38 HA ASP 38 8.446 -8.984 -10.228 321 1HB ASP 38 2HB ASP 38 10.556 -7.906 -9.338 322 2HB ASP 38 1HB ASP 38 9.898 -6.358 -9.863 323 H GLU 39 H GLU 39 6.640 -7.645 -9.459 324 HA GLU 39 HA GLU 39 5.822 -5.373 -11.013 325 1HB GLU 39 2HB GLU 39 4.555 -8.064 -11.447 326 2HB GLU 39 1HB GLU 39 3.636 -6.585 -11.688 327 1HG GLU 39 2HG GLU 39 5.823 -6.010 -13.138 328 2HG GLU 39 1HG GLU 39 5.791 -7.765 -13.307 329 H ILE 40 H ILE 40 4.878 -4.076 -9.597 330 HA ILE 40 HA ILE 40 2.885 -5.112 -7.752 331 HB ILE 40 HB ILE 40 5.180 -3.488 -6.662 332 1HG1 ILE 40 2HG1 ILE 40 4.719 -6.474 -6.474 333 2HG1 ILE 40 1HG1 ILE 40 6.020 -5.684 -7.357 334 1HG2 ILE 40 1HG2 ILE 40 4.218 -4.385 -4.490 335 2HG2 ILE 40 2HG2 ILE 40 2.814 -4.877 -5.438 336 3HG2 ILE 40 3HG2 ILE 40 3.259 -3.174 -5.342 337 1HD1 ILE 40 1HD1 ILE 40 6.614 -4.671 -5.043 338 2HD1 ILE 40 2HD1 ILE 40 7.067 -6.334 -5.420 339 3HD1 ILE 40 3HD1 ILE 40 5.652 -6.011 -4.419 340 H ALA 41 H ALA 41 1.681 -3.379 -6.663 341 HA ALA 41 HA ALA 41 1.997 -0.706 -7.784 342 1HB ALA 41 1HB ALA 41 -0.501 -2.353 -8.144 343 2HB ALA 41 2HB ALA 41 0.554 -1.719 -9.408 344 3HB ALA 41 3HB ALA 41 -0.405 -0.615 -8.423 345 H ILE 42 H ILE 42 1.149 0.924 -6.513 346 HA ILE 42 HA ILE 42 -0.096 0.078 -3.979 347 HB ILE 42 HB ILE 42 1.035 2.309 -3.137 348 1HG1 ILE 42 2HG1 ILE 42 2.014 2.654 -5.492 349 2HG1 ILE 42 1HG1 ILE 42 3.088 2.885 -4.119 350 1HG2 ILE 42 1HG2 ILE 42 1.452 0.349 -1.964 351 2HG2 ILE 42 2HG2 ILE 42 3.056 0.867 -2.481 352 3HG2 ILE 42 3HG2 ILE 42 2.228 -0.428 -3.344 353 1HD1 ILE 42 1HD1 ILE 42 3.728 0.399 -4.557 354 2HD1 ILE 42 2HD1 ILE 42 4.402 1.681 -5.559 355 3HD1 ILE 42 3HD1 ILE 42 3.058 0.712 -6.157 356 H ILE 43 H ILE 43 -1.931 1.079 -3.426 357 HA ILE 43 HA ILE 43 -2.736 3.438 -5.003 358 HB ILE 43 HB ILE 43 -4.663 1.513 -3.722 359 1HG1 ILE 43 2HG1 ILE 43 -3.257 0.261 -5.312 360 2HG1 ILE 43 1HG1 ILE 43 -4.909 0.422 -5.901 361 1HG2 ILE 43 1HG2 ILE 43 -5.107 3.976 -4.680 362 2HG2 ILE 43 2HG2 ILE 43 -6.303 2.682 -4.746 363 3HG2 ILE 43 3HG2 ILE 43 -5.313 3.043 -6.161 364 1HD1 ILE 43 1HD1 ILE 43 -4.235 2.173 -7.414 365 2HD1 ILE 43 2HD1 ILE 43 -3.230 0.745 -7.658 366 3HD1 ILE 43 3HD1 ILE 43 -2.592 2.130 -6.772 367 H SER 44 H SER 44 -2.757 5.237 -3.837 368 HA SER 44 HA SER 44 -3.078 5.092 -0.939 369 1HB SER 44 2HB SER 44 -2.189 7.307 -0.858 370 2HB SER 44 1HB SER 44 -1.217 6.427 -2.038 371 HG SER 44 HG SER 44 -3.311 8.268 -2.550 372 H ILE 45 H ILE 45 -4.718 6.043 0.198 373 HA ILE 45 HA ILE 45 -6.711 7.628 -1.215 374 HB ILE 45 HB ILE 45 -8.581 6.191 -0.354 375 1HG1 ILE 45 2HG1 ILE 45 -6.361 4.163 -0.007 376 2HG1 ILE 45 1HG1 ILE 45 -7.250 4.931 1.304 377 1HG2 ILE 45 1HG2 ILE 45 -8.439 4.569 -2.189 378 2HG2 ILE 45 2HG2 ILE 45 -6.730 4.958 -2.390 379 3HG2 ILE 45 3HG2 ILE 45 -7.956 6.187 -2.700 380 1HD1 ILE 45 1HD1 ILE 45 -7.994 2.693 -0.416 381 2HD1 ILE 45 2HD1 ILE 45 -9.268 3.892 -0.190 382 3HD1 ILE 45 3HD1 ILE 45 -8.534 3.111 1.210 383 H LYS 46 H LYS 46 -4.835 8.143 0.910 384 HA LYS 46 HA LYS 46 -4.679 8.900 3.066 385 1HB LYS 46 2HB LYS 46 -6.097 10.748 3.516 386 2HB LYS 46 1HB LYS 46 -5.880 10.705 1.774 387 1HG LYS 46 2HG LYS 46 -8.058 10.383 1.388 388 2HG LYS 46 1HG LYS 46 -8.227 9.230 2.711 389 1HD LYS 46 2HD LYS 46 -9.189 10.791 3.965 390 2HD LYS 46 1HD LYS 46 -7.749 11.801 3.832 391 1HE LYS 46 2HE LYS 46 -8.695 12.496 1.548 392 2HE LYS 46 1HE LYS 46 -10.211 11.798 2.116 393 1HZ LYS 46 1HZ LYS 46 -9.645 14.312 2.499 394 2HZ LYS 46 2HZ LYS 46 -8.830 13.711 3.853 395 3HZ LYS 46 3HZ LYS 46 -10.487 13.424 3.667 396 H GLY 47 H GLY 47 -5.708 6.281 2.948 397 1HA GLY 47 2HA GLY 47 -8.018 5.994 4.590 398 2HA GLY 47 1HA GLY 47 -6.884 4.725 4.158 399 H THR 48 H THR 48 -6.548 7.750 6.036 400 HA THR 48 HA THR 48 -5.402 8.132 7.985 401 HB THR 48 HB THR 48 -6.368 6.739 9.893 402 HG1 THR 48 HG1 THR 48 -8.211 5.502 9.278 403 1HG2 THR 48 1HG2 THR 48 -8.325 7.930 9.984 404 2HG2 THR 48 2HG2 THR 48 -8.601 7.817 8.246 405 3HG2 THR 48 3HG2 THR 48 -7.364 8.907 8.874 406 H GLN 49 H GLN 49 -4.019 6.316 6.197 407 HA GLN 49 HA GLN 49 -2.260 5.094 8.166 408 1HB GLN 49 2HB GLN 49 -3.829 3.586 6.120 409 2HB GLN 49 1HB GLN 49 -2.202 3.042 6.505 410 1HG GLN 49 2HG GLN 49 -4.474 3.369 8.451 411 2HG GLN 49 1HG GLN 49 -3.848 1.847 7.817 412 1HE2 GLN 49 1HE2 GLN 49 -1.188 2.129 7.983 413 2HE2 GLN 49 2HE2 GLN 49 -0.691 2.333 9.624 414 H SER 50 H SER 50 -2.555 4.672 4.645 415 HA SER 50 HA SER 50 -1.026 6.433 3.446 416 1HB SER 50 2HB SER 50 0.818 6.490 4.899 417 2HB SER 50 1HB SER 50 0.815 4.742 5.124 418 HG SER 50 HG SER 50 2.441 5.042 3.737 419 H ASN 51 H ASN 51 -2.526 5.225 2.070 420 HA ASN 51 HA ASN 51 -3.080 3.702 0.474 421 1HB ASN 51 2HB ASN 51 -1.405 3.362 -1.214 422 2HB ASN 51 1HB ASN 51 -1.167 4.974 -0.551 423 1HD2 ASN 51 1HD2 ASN 51 0.122 1.782 -0.859 424 2HD2 ASN 51 2HD2 ASN 51 1.689 2.126 -0.222 425 H HIS 52 H HIS 52 -1.934 1.520 -0.637 426 HA HIS 52 HA HIS 52 -1.014 -0.277 1.446 427 1HB HIS 52 2HB HIS 52 -2.823 -1.892 1.127 428 2HB HIS 52 1HB HIS 52 -3.462 -0.354 1.696 429 HD1 HIS 52 HD1 HIS 52 -5.101 0.865 0.186 430 HD2 HIS 52 HD2 HIS 52 -3.438 -2.506 -1.587 431 HE1 HIS 52 HE1 HIS 52 -6.426 0.488 -1.918 432 HE2 HIS 52 HE2 HIS 52 -5.446 -1.597 -2.938 433 H VAL 53 H VAL 53 0.232 -1.898 0.649 434 HA VAL 53 HA VAL 53 1.067 -1.752 -2.065 435 HB VAL 53 HB VAL 53 1.654 -3.969 -0.100 436 1HG1 VAL 53 1HG1 VAL 53 2.206 -3.916 -2.743 437 2HG1 VAL 53 2HG1 VAL 53 3.202 -4.740 -1.545 438 3HG1 VAL 53 3HG1 VAL 53 3.644 -3.126 -2.098 439 1HG2 VAL 53 1HG2 VAL 53 3.661 -1.865 -0.510 440 2HG2 VAL 53 2HG2 VAL 53 3.166 -2.692 0.967 441 3HG2 VAL 53 3HG2 VAL 53 2.209 -1.348 0.346 442 H LEU 54 H LEU 54 0.567 -2.977 -3.798 443 HA LEU 54 HA LEU 54 -1.341 -5.186 -3.409 444 1HB LEU 54 2HB LEU 54 -2.212 -2.918 -4.378 445 2HB LEU 54 1HB LEU 54 -1.433 -3.460 -5.851 446 HG LEU 54 HG LEU 54 -3.799 -4.007 -5.887 447 1HD1 LEU 54 1HD1 LEU 54 -2.157 -6.502 -5.492 448 2HD1 LEU 54 2HD1 LEU 54 -2.169 -5.527 -6.961 449 3HD1 LEU 54 3HD1 LEU 54 -3.640 -6.344 -6.432 450 1HD2 LEU 54 1HD2 LEU 54 -3.759 -4.257 -3.272 451 2HD2 LEU 54 2HD2 LEU 54 -3.477 -5.954 -3.657 452 3HD2 LEU 54 3HD2 LEU 54 -4.928 -5.145 -4.250 453 H PHE 55 H PHE 55 -0.197 -6.962 -3.846 454 HA PHE 55 HA PHE 55 1.973 -6.999 -5.711 455 1HB PHE 55 2HB PHE 55 1.954 -8.445 -3.722 456 2HB PHE 55 1HB PHE 55 0.540 -9.289 -4.344 457 HD1 PHE 55 HD1 PHE 55 3.624 -8.205 -6.118 458 HD2 PHE 55 HD2 PHE 55 1.255 -11.457 -4.732 459 HE1 PHE 55 HE1 PHE 55 5.092 -9.778 -7.310 460 HE2 PHE 55 HE2 PHE 55 2.720 -13.036 -5.921 461 HZ PHE 55 HZ PHE 55 4.642 -12.197 -7.212 462 H LEU 56 H LEU 56 1.970 -7.501 -7.810 463 HA LEU 56 HA LEU 56 -0.568 -8.396 -9.000 464 1HB LEU 56 2HB LEU 56 1.706 -7.066 -10.458 465 2HB LEU 56 1HB LEU 56 0.057 -7.290 -11.011 466 HG LEU 56 HG LEU 56 0.514 -5.639 -8.570 467 1HD1 LEU 56 1HD1 LEU 56 2.192 -4.825 -10.150 468 2HD1 LEU 56 2HD1 LEU 56 0.893 -3.653 -9.924 469 3HD1 LEU 56 3HD1 LEU 56 0.944 -4.644 -11.383 470 1HD2 LEU 56 1HD2 LEU 56 -1.538 -4.776 -9.042 471 2HD2 LEU 56 2HD2 LEU 56 -1.720 -6.349 -9.817 472 3HD2 LEU 56 3HD2 LEU 56 -1.326 -4.929 -10.786 473 H SER 57 H SER 57 -0.581 -10.490 -9.462 474 HA SER 57 HA SER 57 1.813 -12.022 -9.760 475 1HB SER 57 2HB SER 57 -0.306 -12.916 -8.779 476 2HB SER 57 1HB SER 57 -1.027 -12.858 -10.386 477 HG SER 57 HG SER 57 0.844 -14.223 -11.008 478 H SER 58 H SER 58 -0.934 -11.699 -12.013 479 HA SER 58 HA SER 58 1.009 -11.664 -14.226 480 1HB SER 58 2HB SER 58 -1.731 -12.918 -14.408 481 2HB SER 58 1HB SER 58 -0.389 -13.070 -15.542 482 HG SER 58 HG SER 58 0.361 -14.649 -14.387 483 H TYR 59 H TYR 59 0.039 -10.780 -16.278 484 HA TYR 59 HA TYR 59 -2.230 -9.073 -16.143 485 1HB TYR 59 2HB TYR 59 0.077 -7.977 -15.029 486 2HB TYR 59 1HB TYR 59 0.008 -7.286 -16.647 487 HD1 TYR 59 HD1 TYR 59 -1.774 -7.590 -13.435 488 HD2 TYR 59 HD2 TYR 59 -1.663 -5.680 -17.235 489 HE1 TYR 59 HE1 TYR 59 -3.447 -5.962 -12.659 490 HE2 TYR 59 HE2 TYR 59 -3.335 -4.047 -16.470 491 HH TYR 59 HH TYR 59 -4.140 -3.106 -14.320 492 H ASN 60 H ASN 60 -2.713 -10.192 -18.054 493 HA ASN 60 HA ASN 60 -0.975 -9.612 -20.354 494 1HB ASN 60 2HB ASN 60 -2.406 -11.966 -19.522 495 2HB ASN 60 1HB ASN 60 -2.975 -11.460 -21.110 496 1HD2 ASN 60 1HD2 ASN 60 -0.895 -10.570 -22.416 497 2HD2 ASN 60 2HD2 ASN 60 0.360 -11.751 -22.535 498 H SER 61 H SER 61 -2.936 -7.763 -19.140 499 HA SER 61 HA SER 61 -4.526 -6.267 -19.777 500 1HB SER 61 2HB SER 61 -3.361 -7.117 -22.415 501 2HB SER 61 1HB SER 61 -4.699 -5.969 -22.354 502 HG SER 61 HG SER 61 -2.318 -5.625 -20.861 503 H VAL 62 H VAL 62 -5.539 -8.739 -19.052 504 HA VAL 62 HA VAL 62 -7.503 -9.516 -21.036 505 HB VAL 62 HB VAL 62 -8.210 -11.221 -19.409 506 1HG1 VAL 62 1HG1 VAL 62 -5.440 -10.963 -20.409 507 2HG1 VAL 62 2HG1 VAL 62 -6.654 -12.202 -20.728 508 3HG1 VAL 62 3HG1 VAL 62 -5.737 -12.233 -19.221 509 1HG2 VAL 62 1HG2 VAL 62 -5.932 -10.302 -17.677 510 2HG2 VAL 62 2HG2 VAL 62 -7.173 -11.498 -17.307 511 3HG2 VAL 62 3HG2 VAL 62 -7.598 -9.790 -17.410 512 H ASP 63 H ASP 63 -7.573 -6.842 -19.605 513 HA ASP 63 HA ASP 63 -9.198 -5.396 -18.945 514 1HB ASP 63 2HB ASP 63 -10.557 -6.673 -20.655 515 2HB ASP 63 1HB ASP 63 -11.180 -7.642 -19.324 516 H GLU 64 H GLU 64 -10.212 -8.584 -17.688 517 HA GLU 64 HA GLU 64 -11.298 -7.809 -15.305 518 1HB GLU 64 2HB GLU 64 -9.546 -10.249 -15.588 519 2HB GLU 64 1HB GLU 64 -10.904 -10.026 -14.494 520 1HG GLU 64 2HG GLU 64 -12.342 -9.794 -16.577 521 2HG GLU 64 1HG GLU 64 -10.952 -10.416 -17.466 522 H ILE 65 H ILE 65 -7.890 -8.108 -16.111 523 HA ILE 65 HA ILE 65 -6.942 -7.837 -13.435 524 HB ILE 65 HB ILE 65 -4.757 -7.601 -14.322 525 1HG1 ILE 65 2HG1 ILE 65 -5.259 -5.850 -16.005 526 2HG1 ILE 65 1HG1 ILE 65 -4.255 -7.137 -16.657 527 1HG2 ILE 65 1HG2 ILE 65 -4.937 -9.385 -16.294 528 2HG2 ILE 65 2HG2 ILE 65 -6.561 -9.541 -15.624 529 3HG2 ILE 65 3HG2 ILE 65 -5.154 -9.806 -14.596 530 1HD1 ILE 65 1HD1 ILE 65 -5.763 -6.780 -18.348 531 2HD1 ILE 65 2HD1 ILE 65 -7.100 -6.481 -17.240 532 3HD1 ILE 65 3HD1 ILE 65 -6.504 -8.122 -17.480 533 H ARG 66 H ARG 66 -8.026 -5.578 -15.811 534 HA ARG 66 HA ARG 66 -6.696 -3.294 -14.693 535 1HB ARG 66 2HB ARG 66 -7.307 -3.376 -17.065 536 2HB ARG 66 1HB ARG 66 -9.008 -3.471 -16.632 537 1HG ARG 66 2HG ARG 66 -8.471 -1.223 -15.373 538 2HG ARG 66 1HG ARG 66 -7.152 -1.155 -16.543 539 1HD ARG 66 2HD ARG 66 -8.537 -0.730 -18.261 540 2HD ARG 66 1HD ARG 66 -9.750 -1.875 -17.691 541 HE ARG 66 HE ARG 66 -9.595 0.543 -16.136 542 1HH1 ARG 66 2HH1 ARG 66 -11.038 -0.997 -18.917 543 2HH1 ARG 66 1HH1 ARG 66 -12.409 0.060 -18.945 544 1HH2 ARG 66 1HH2 ARG 66 -11.398 1.931 -16.171 545 2HH2 ARG 66 2HH2 ARG 66 -12.614 1.722 -17.387 546 H LYS 67 H LYS 67 -10.192 -3.873 -15.074 547 HA LYS 67 HA LYS 67 -11.061 -2.012 -13.232 548 1HB LYS 67 2HB LYS 67 -13.144 -3.393 -13.086 549 2HB LYS 67 1HB LYS 67 -12.626 -3.032 -14.727 550 1HG LYS 67 2HG LYS 67 -12.488 -5.184 -15.233 551 2HG LYS 67 1HG LYS 67 -11.472 -5.509 -13.827 552 1HD LYS 67 2HD LYS 67 -13.192 -6.307 -12.623 553 2HD LYS 67 1HD LYS 67 -14.294 -5.049 -13.188 554 1HE LYS 67 2HE LYS 67 -13.508 -7.056 -15.195 555 2HE LYS 67 1HE LYS 67 -14.495 -7.657 -13.864 556 1HZ LYS 67 1HZ LYS 67 -15.174 -5.411 -15.684 557 2HZ LYS 67 2HZ LYS 67 -16.105 -5.889 -14.355 558 3HZ LYS 67 3HZ LYS 67 -15.895 -6.941 -15.663 559 H GLU 68 H GLU 68 -9.846 -5.240 -12.672 560 HA GLU 68 HA GLU 68 -10.781 -5.559 -10.028 561 1HB GLU 68 2HB GLU 68 -9.965 -7.440 -11.362 562 2HB GLU 68 1HB GLU 68 -8.347 -6.751 -11.369 563 1HG GLU 68 2HG GLU 68 -8.223 -8.376 -9.733 564 2HG GLU 68 1HG GLU 68 -8.504 -6.903 -8.807 565 H LEU 69 H LEU 69 -7.615 -4.487 -11.265 566 HA LEU 69 HA LEU 69 -6.575 -3.888 -8.689 567 1HB LEU 69 2HB LEU 69 -5.104 -4.377 -10.556 568 2HB LEU 69 1HB LEU 69 -5.706 -2.984 -11.434 569 HG LEU 69 HG LEU 69 -4.813 -1.672 -9.324 570 1HD1 LEU 69 1HD1 LEU 69 -3.963 -3.165 -7.852 571 2HD1 LEU 69 2HD1 LEU 69 -2.528 -2.976 -8.861 572 3HD1 LEU 69 3HD1 LEU 69 -3.599 -4.357 -9.099 573 1HD2 LEU 69 1HD2 LEU 69 -3.154 -0.953 -10.678 574 2HD2 LEU 69 2HD2 LEU 69 -4.012 -1.925 -11.874 575 3HD2 LEU 69 3HD2 LEU 69 -2.601 -2.586 -11.049 576 H GLU 70 H GLU 70 -7.976 -1.887 -11.267 577 HA GLU 70 HA GLU 70 -7.597 0.616 -10.129 578 1HB GLU 70 2HB GLU 70 -9.779 -0.453 -11.911 579 2HB GLU 70 1HB GLU 70 -9.716 1.234 -11.421 580 1HG GLU 70 2HG GLU 70 -7.259 0.078 -12.593 581 2HG GLU 70 1HG GLU 70 -8.627 0.344 -13.673 582 H GLU 71 H GLU 71 -10.320 -1.626 -9.715 583 HA GLU 71 HA GLU 71 -11.640 0.083 -7.820 584 1HB GLU 71 2HB GLU 71 -12.131 -2.656 -8.920 585 2HB GLU 71 1HB GLU 71 -12.974 -2.154 -7.461 586 1HG GLU 71 2HG GLU 71 -13.891 -0.228 -8.656 587 2HG GLU 71 1HG GLU 71 -13.054 -0.746 -10.120 588 H ALA 72 H ALA 72 -9.512 -2.709 -7.691 589 HA ALA 72 HA ALA 72 -9.837 -3.442 -5.023 590 1HB ALA 72 1HB ALA 72 -7.533 -3.654 -6.927 591 2HB ALA 72 2HB ALA 72 -8.595 -4.924 -6.319 592 3HB ALA 72 3HB ALA 72 -7.387 -4.201 -5.256 593 H GLY 73 H GLY 73 -8.270 -0.679 -6.403 594 1HA GLY 73 2HA GLY 73 -6.814 -0.077 -3.950 595 2HA GLY 73 1HA GLY 73 -6.764 0.844 -5.445 596 H ALA 74 H ALA 74 -9.486 1.287 -5.848 597 HA ALA 74 HA ALA 74 -10.036 3.145 -3.639 598 1HB ALA 74 1HB ALA 74 -11.472 4.330 -5.272 599 2HB ALA 74 2HB ALA 74 -10.987 3.161 -6.500 600 3HB ALA 74 3HB ALA 74 -9.784 4.229 -5.776 601 H LYS 75 H LYS 75 -10.697 0.326 -3.482 602 HA LYS 75 HA LYS 75 -13.468 -0.054 -4.000 603 1HB LYS 75 2HB LYS 75 -11.881 -1.929 -3.792 604 2HB LYS 75 1HB LYS 75 -11.648 -1.539 -2.094 605 1HG LYS 75 2HG LYS 75 -13.155 -3.411 -2.332 606 2HG LYS 75 1HG LYS 75 -14.010 -2.021 -1.664 607 1HD LYS 75 2HD LYS 75 -15.521 -2.260 -3.282 608 2HD LYS 75 1HD LYS 75 -14.276 -1.794 -4.440 609 1HE LYS 75 2HE LYS 75 -14.063 -3.881 -5.223 610 2HE LYS 75 1HE LYS 75 -14.108 -4.587 -3.609 611 1HZ LYS 75 1HZ LYS 75 -16.599 -4.069 -3.726 612 2HZ LYS 75 2HZ LYS 75 -16.018 -5.386 -4.615 613 3HZ LYS 75 3HZ LYS 75 -16.360 -3.926 -5.396 614 H ILE 76 H ILE 76 -15.136 -0.373 -2.378 615 HA ILE 76 HA ILE 76 -14.887 1.593 -0.216 616 HB ILE 76 HB ILE 76 -17.414 1.282 -0.061 617 1HG1 ILE 76 2HG1 ILE 76 -17.143 -0.866 -1.581 618 2HG1 ILE 76 1HG1 ILE 76 -18.585 0.136 -1.687 619 1HG2 ILE 76 1HG2 ILE 76 -15.969 2.561 -2.349 620 2HG2 ILE 76 2HG2 ILE 76 -16.721 3.310 -0.942 621 3HG2 ILE 76 3HG2 ILE 76 -17.726 2.661 -2.238 622 1HD1 ILE 76 1HD1 ILE 76 -17.184 -0.680 -3.811 623 2HD1 ILE 76 2HD1 ILE 76 -16.371 0.853 -3.495 624 3HD1 ILE 76 3HD1 ILE 76 -18.111 0.820 -3.778 625 H ASN 77 H ASN 77 -14.541 0.899 1.778 626 HA ASN 77 HA ASN 77 -14.508 -0.390 3.652 627 1HB ASN 77 2HB ASN 77 -17.045 -1.125 2.328 628 2HB ASN 77 1HB ASN 77 -16.449 -2.285 3.511 629 1HD2 ASN 77 1HD2 ASN 77 -16.022 -1.514 5.663 630 2HD2 ASN 77 2HD2 ASN 77 -16.932 -0.186 6.292 631 H HIS 78 H HIS 78 -12.906 -1.769 3.996 632 HA HIS 78 HA HIS 78 -12.317 -3.838 2.040 633 1HB HIS 78 2HB HIS 78 -10.820 -2.944 4.512 634 2HB HIS 78 1HB HIS 78 -10.250 -4.170 3.384 635 HD1 HIS 78 HD1 HIS 78 -10.414 -0.532 3.912 636 HD2 HIS 78 HD2 HIS 78 -9.555 -3.138 0.791 637 HE1 HIS 78 HE1 HIS 78 -9.272 0.868 2.163 638 HE2 HIS 78 HE2 HIS 78 -8.666 -0.752 0.331 639 H THR 79 H THR 79 -11.488 -5.980 3.027 640 HA THR 79 HA THR 79 -13.533 -6.923 4.921 641 HB THR 79 HB THR 79 -13.601 -7.949 2.676 642 HG1 THR 79 HG1 THR 79 -14.301 -9.530 3.848 643 1HG2 THR 79 1HG2 THR 79 -11.361 -9.703 2.913 644 2HG2 THR 79 2HG2 THR 79 -10.811 -8.027 2.891 645 3HG2 THR 79 3HG2 THR 79 -11.817 -8.642 1.580 646 H THR 80 H THR 80 -12.288 -9.408 5.501 647 HA THR 80 HA THR 80 -10.285 -8.480 7.405 648 HB THR 80 HB THR 80 -12.006 -9.845 8.353 649 HG1 THR 80 HG1 THR 80 -9.742 -11.515 8.031 650 1HG2 THR 80 1HG2 THR 80 -11.487 -11.644 6.046 651 2HG2 THR 80 2HG2 THR 80 -13.015 -11.131 6.762 652 3HG2 THR 80 3HG2 THR 80 -12.022 -12.340 7.575 653 H LEU 81 H LEU 81 -9.314 -8.387 4.844 654 HA LEU 81 HA LEU 81 -7.586 -9.043 3.518 655 1HB LEU 81 2HB LEU 81 -6.515 -8.850 5.833 656 2HB LEU 81 1HB LEU 81 -6.580 -10.601 5.885 657 HG LEU 81 HG LEU 81 -5.349 -9.624 3.433 658 1HD1 LEU 81 1HD1 LEU 81 -4.284 -7.878 4.392 659 2HD1 LEU 81 2HD1 LEU 81 -3.203 -9.150 4.962 660 3HD1 LEU 81 3HD1 LEU 81 -4.462 -8.522 6.025 661 1HD2 LEU 81 1HD2 LEU 81 -4.852 -11.806 3.754 662 2HD2 LEU 81 2HD2 LEU 81 -4.931 -11.679 5.512 663 3HD2 LEU 81 3HD2 LEU 81 -3.494 -11.130 4.651 664 H LYS 82 H LYS 82 -9.990 -10.839 3.856 665 HA LYS 82 HA LYS 82 -8.967 -13.506 3.484 666 1HB LYS 82 2HB LYS 82 -11.155 -13.070 4.569 667 2HB LYS 82 1HB LYS 82 -11.763 -12.438 3.045 668 1HG LYS 82 2HG LYS 82 -12.554 -14.551 2.881 669 2HG LYS 82 1HG LYS 82 -10.956 -14.817 2.182 670 1HD LYS 82 2HD LYS 82 -10.246 -16.039 3.945 671 2HD LYS 82 1HD LYS 82 -11.122 -15.050 5.115 672 1HE LYS 82 2HE LYS 82 -11.920 -17.428 4.885 673 2HE LYS 82 1HE LYS 82 -13.156 -16.185 4.691 674 1HZ LYS 82 1HZ LYS 82 -12.834 -18.193 2.993 675 2HZ LYS 82 2HZ LYS 82 -11.817 -17.055 2.260 676 3HZ LYS 82 3HZ LYS 82 -13.446 -16.685 2.527 677 H ILE 83 H ILE 83 -10.596 -11.102 1.423 678 HA ILE 83 HA ILE 83 -10.572 -12.561 -0.951 679 HB ILE 83 HB ILE 83 -10.687 -10.379 -2.118 680 1HG1 ILE 83 2HG1 ILE 83 -10.991 -8.465 -0.221 681 2HG1 ILE 83 1HG1 ILE 83 -9.730 -9.446 0.521 682 1HG2 ILE 83 1HG2 ILE 83 -12.456 -11.235 0.056 683 2HG2 ILE 83 2HG2 ILE 83 -12.825 -10.849 -1.626 684 3HG2 ILE 83 3HG2 ILE 83 -12.662 -9.555 -0.440 685 1HD1 ILE 83 1HD1 ILE 83 -9.632 -8.162 -2.198 686 2HD1 ILE 83 2HD1 ILE 83 -8.381 -9.201 -1.517 687 3HD1 ILE 83 3HD1 ILE 83 -8.753 -7.654 -0.757 688 H LEU 84 H LEU 84 -8.045 -10.747 0.634 689 HA LEU 84 HA LEU 84 -6.265 -10.661 -1.589 690 1HB LEU 84 2HB LEU 84 -5.909 -10.306 1.377 691 2HB LEU 84 1HB LEU 84 -4.538 -10.285 0.283 692 HG LEU 84 HG LEU 84 -6.098 -8.463 -0.938 693 1HD1 LEU 84 1HD1 LEU 84 -7.293 -7.116 0.579 694 2HD1 LEU 84 2HD1 LEU 84 -6.642 -7.973 1.976 695 3HD1 LEU 84 3HD1 LEU 84 -7.799 -8.772 0.912 696 1HD2 LEU 84 1HD2 LEU 84 -4.804 -6.763 0.487 697 2HD2 LEU 84 2HD2 LEU 84 -3.880 -7.922 -0.467 698 3HD2 LEU 84 3HD2 LEU 84 -4.087 -8.173 1.267 699 H GLU 85 H GLU 85 -6.668 -12.815 1.189 700 HA GLU 85 HA GLU 85 -4.458 -14.488 0.530 701 1HB GLU 85 2HB GLU 85 -6.639 -14.479 2.513 702 2HB GLU 85 1HB GLU 85 -6.064 -16.078 2.057 703 1HG GLU 85 2HG GLU 85 -4.382 -13.826 3.133 704 2HG GLU 85 1HG GLU 85 -4.900 -15.261 4.017 705 H GLY 86 H GLY 86 -7.756 -14.293 -0.515 706 1HA GLY 86 2HA GLY 86 -7.645 -16.966 -1.710 707 2HA GLY 86 1HA GLY 86 -9.065 -15.937 -1.605 708 H HIS 87 H HIS 87 -7.310 -13.639 -2.592 709 HA HIS 87 HA HIS 87 -7.362 -14.411 -5.436 710 1HB HIS 87 2HB HIS 87 -8.913 -12.504 -4.265 711 2HB HIS 87 1HB HIS 87 -7.539 -11.538 -4.790 712 HD1 HIS 87 HD1 HIS 87 -10.501 -13.371 -6.052 713 HD2 HIS 87 HD2 HIS 87 -7.172 -11.432 -7.607 714 HE1 HIS 87 HE1 HIS 87 -10.986 -13.062 -8.499 715 HE2 HIS 87 HE2 HIS 87 -8.915 -11.980 -9.439 716 H LEU 88 HN LEU 88 -5.140 -14.401 -3.344 717 HA LEU 88 HA LEU 88 -3.126 -13.310 -5.093 718 1HB LEU 88 2HB LEU 88 -4.052 -11.491 -3.402 719 2HB LEU 88 1HB LEU 88 -2.958 -12.300 -2.295 720 HG LEU 88 HG LEU 88 -1.203 -11.937 -4.207 721 1HD1 LEU 88 1HD1 LEU 88 -3.493 -10.269 -5.030 722 2HD1 LEU 88 2HD1 LEU 88 -2.206 -10.992 -5.994 723 3HD1 LEU 88 3HD1 LEU 88 -1.905 -9.506 -5.095 724 1HD2 LEU 88 1HD2 LEU 88 -1.111 -9.425 -3.240 725 2HD2 LEU 88 2HD2 LEU 88 -0.569 -10.841 -2.341 726 3HD2 LEU 88 3HD2 LEU 88 -2.177 -10.177 -2.054 Start of MODEL 11 1 1H LEU 1 1H LEU 1 -7.068 18.955 -3.674 2 2H LEU 1 2H LEU 1 -8.535 19.784 -3.349 3 3H LEU 1 3H LEU 1 -7.635 20.150 -4.763 4 HA LEU 1 HA LEU 1 -9.408 18.857 -5.444 5 1HB LEU 1 2HB LEU 1 -7.273 18.322 -6.455 6 2HB LEU 1 1HB LEU 1 -6.878 17.238 -5.134 7 HG LEU 1 HG LEU 1 -8.739 15.756 -5.824 8 1HD1 LEU 1 1HD1 LEU 1 -10.186 16.223 -7.481 9 2HD1 LEU 1 2HD1 LEU 1 -8.969 17.039 -8.461 10 3HD1 LEU 1 3HD1 LEU 1 -9.745 17.893 -7.127 11 1HD2 LEU 1 1HD2 LEU 1 -6.378 15.490 -6.633 12 2HD2 LEU 1 2HD2 LEU 1 -6.864 16.317 -8.113 13 3HD2 LEU 1 3HD2 LEU 1 -7.609 14.778 -7.676 14 H PHE 2 H PHE 2 -11.037 17.493 -4.951 15 HA PHE 2 HA PHE 2 -11.330 16.528 -2.316 16 1HB PHE 2 2HB PHE 2 -13.205 17.151 -3.868 17 2HB PHE 2 1HB PHE 2 -12.903 15.655 -4.747 18 HD1 PHE 2 HD1 PHE 2 -13.589 16.864 -1.287 19 HD2 PHE 2 HD2 PHE 2 -14.095 13.776 -4.172 20 HE1 PHE 2 HE1 PHE 2 -15.068 15.658 0.268 21 HE2 PHE 2 HE2 PHE 2 -15.575 12.566 -2.623 22 HZ PHE 2 HZ PHE 2 -16.064 13.507 -0.401 23 H ILE 3 H ILE 3 -10.649 14.729 -1.398 24 HA ILE 3 HA ILE 3 -9.565 12.769 -1.076 25 HB ILE 3 HB ILE 3 -11.901 12.114 -1.990 26 1HG1 ILE 3 2HG1 ILE 3 -10.910 9.634 -2.178 27 2HG1 ILE 3 1HG1 ILE 3 -9.491 10.446 -1.525 28 1HG2 ILE 3 1HG2 ILE 3 -11.811 10.661 -3.985 29 2HG2 ILE 3 2HG2 ILE 3 -10.165 11.212 -4.283 30 3HG2 ILE 3 3HG2 ILE 3 -11.504 12.356 -4.352 31 1HD1 ILE 3 1HD1 ILE 3 -10.385 10.583 0.505 32 2HD1 ILE 3 2HD1 ILE 3 -11.579 9.422 -0.076 33 3HD1 ILE 3 3HD1 ILE 3 -11.934 11.150 -0.121 34 H ALA 4 H ALA 4 -7.530 12.277 -1.434 35 HA ALA 4 HA ALA 4 -6.332 12.842 -4.014 36 1HB ALA 4 1HB ALA 4 -5.346 12.402 -1.264 37 2HB ALA 4 2HB ALA 4 -4.841 13.576 -2.480 38 3HB ALA 4 3HB ALA 4 -4.272 11.908 -2.573 39 H THR 5 H THR 5 -6.700 11.309 -5.506 40 HA THR 5 HA THR 5 -6.069 8.523 -4.778 41 HB THR 5 HB THR 5 -7.712 7.766 -6.388 42 HG1 THR 5 HG1 THR 5 -7.797 9.218 -7.972 43 1HG2 THR 5 1HG2 THR 5 -9.231 7.907 -4.793 44 2HG2 THR 5 2HG2 THR 5 -9.653 9.513 -5.388 45 3HG2 THR 5 3HG2 THR 5 -8.448 9.334 -4.114 46 H LEU 6 H LEU 6 -4.292 7.802 -5.727 47 HA LEU 6 HA LEU 6 -3.756 8.434 -8.513 48 1HB LEU 6 2HB LEU 6 -1.380 9.034 -7.976 49 2HB LEU 6 1HB LEU 6 -2.576 10.231 -7.513 50 HG LEU 6 HG LEU 6 -1.807 8.282 -5.421 51 1HD1 LEU 6 1HD1 LEU 6 0.276 9.188 -6.819 52 2HD1 LEU 6 2HD1 LEU 6 0.324 8.964 -5.071 53 3HD1 LEU 6 3HD1 LEU 6 0.041 10.568 -5.746 54 1HD2 LEU 6 1HD2 LEU 6 -3.385 10.375 -5.352 55 2HD2 LEU 6 2HD2 LEU 6 -1.867 11.247 -5.133 56 3HD2 LEU 6 3HD2 LEU 6 -2.337 9.991 -3.987 57 H LYS 7 H LYS 7 -2.750 6.801 -9.572 58 HA LYS 7 HA LYS 7 -1.973 4.469 -7.953 59 1HB LYS 7 2HB LYS 7 -2.646 4.413 -10.889 60 2HB LYS 7 1HB LYS 7 -2.597 3.067 -9.759 61 1HG LYS 7 2HG LYS 7 -4.551 4.039 -8.588 62 2HG LYS 7 1HG LYS 7 -4.630 5.287 -9.832 63 1HD LYS 7 2HD LYS 7 -5.068 3.655 -11.533 64 2HD LYS 7 1HD LYS 7 -4.770 2.331 -10.406 65 1HE LYS 7 2HE LYS 7 -6.851 2.416 -9.594 66 2HE LYS 7 1HE LYS 7 -6.815 4.174 -9.463 67 1HZ LYS 7 1HZ LYS 7 -7.038 3.066 -12.148 68 2HZ LYS 7 2HZ LYS 7 -7.771 4.434 -11.478 69 3HZ LYS 7 3HZ LYS 7 -8.392 2.896 -11.148 70 H GLY 8 H GLY 8 0.125 4.043 -7.822 71 1HA GLY 8 2HA GLY 8 1.913 5.159 -9.880 72 2HA GLY 8 1HA GLY 8 2.387 4.752 -8.238 73 H ILE 9 H ILE 9 3.748 3.920 -10.580 74 HA ILE 9 HA ILE 9 3.422 1.009 -10.317 75 HB ILE 9 HB ILE 9 4.007 2.451 -12.907 76 1HG1 ILE 9 2HG1 ILE 9 1.642 2.630 -12.139 77 2HG1 ILE 9 1HG1 ILE 9 1.819 1.727 -13.641 78 1HG2 ILE 9 1HG2 ILE 9 5.069 0.498 -13.308 79 2HG2 ILE 9 2HG2 ILE 9 3.431 -0.062 -13.641 80 3HG2 ILE 9 3HG2 ILE 9 4.166 -0.375 -12.070 81 1HD1 ILE 9 1HD1 ILE 9 0.270 0.520 -12.387 82 2HD1 ILE 9 2HD1 ILE 9 1.200 0.696 -10.900 83 3HD1 ILE 9 3HD1 ILE 9 1.784 -0.362 -12.185 84 H PHE 10 H PHE 10 5.291 -0.184 -10.290 85 HA PHE 10 HA PHE 10 7.807 1.353 -10.256 86 1HB PHE 10 2HB PHE 10 6.681 -0.630 -8.417 87 2HB PHE 10 1HB PHE 10 8.340 -0.983 -8.888 88 HD1 PHE 10 HD1 PHE 10 10.118 0.134 -7.888 89 HD2 PHE 10 HD2 PHE 10 6.175 1.682 -7.476 90 HE1 PHE 10 HE1 PHE 10 10.934 1.764 -6.236 91 HE2 PHE 10 HE2 PHE 10 6.986 3.316 -5.823 92 HZ PHE 10 HZ PHE 10 9.368 3.355 -5.201 93 H THR 11 H THR 11 8.927 0.984 -12.059 94 HA THR 11 HA THR 11 8.721 -1.632 -13.358 95 HB THR 11 HB THR 11 9.998 -0.400 -15.218 96 HG1 THR 11 HG1 THR 11 10.541 1.564 -14.805 97 1HG2 THR 11 1HG2 THR 11 7.908 -0.578 -15.985 98 2HG2 THR 11 2HG2 THR 11 7.794 1.131 -15.561 99 3HG2 THR 11 3HG2 THR 11 7.192 -0.097 -14.446 100 H LEU 12 H LEU 12 10.098 -3.039 -12.554 101 HA LEU 12 HA LEU 12 12.030 -4.044 -11.926 102 1HB LEU 12 2HB LEU 12 13.197 -1.912 -13.716 103 2HB LEU 12 1HB LEU 12 14.107 -3.265 -13.071 104 HG LEU 12 HG LEU 12 11.800 -3.409 -15.009 105 1HD1 LEU 12 1HD1 LEU 12 14.742 -3.510 -15.237 106 2HD1 LEU 12 2HD1 LEU 12 13.531 -2.946 -16.387 107 3HD1 LEU 12 3HD1 LEU 12 13.834 -4.674 -16.201 108 1HD2 LEU 12 1HD2 LEU 12 11.689 -5.272 -13.445 109 2HD2 LEU 12 2HD2 LEU 12 13.390 -5.638 -13.742 110 3HD2 LEU 12 3HD2 LEU 12 12.208 -5.824 -15.038 111 H LYS 13 H LYS 13 13.360 -3.998 -10.198 112 HA LYS 13 HA LYS 13 13.189 -2.103 -8.242 113 1HB LYS 13 2HB LYS 13 14.443 -4.468 -8.403 114 2HB LYS 13 1HB LYS 13 15.843 -3.410 -8.511 115 1HG LYS 13 2HG LYS 13 15.797 -3.562 -6.273 116 2HG LYS 13 1HG LYS 13 14.576 -2.296 -6.416 117 1HD LYS 13 2HD LYS 13 13.576 -3.866 -5.012 118 2HD LYS 13 1HD LYS 13 12.893 -4.233 -6.597 119 1HE LYS 13 2HE LYS 13 15.360 -5.673 -6.143 120 2HE LYS 13 1HE LYS 13 14.177 -6.003 -4.879 121 1HZ LYS 13 1HZ LYS 13 13.982 -6.513 -7.773 122 2HZ LYS 13 2HZ LYS 13 12.577 -6.331 -6.850 123 3HZ LYS 13 3HZ LYS 13 13.676 -7.564 -6.482 124 H ASP 14 H ASP 14 15.176 -2.032 -11.093 125 HA ASP 14 HA ASP 14 17.117 -0.182 -10.439 126 1HB ASP 14 2HB ASP 14 16.435 -1.469 -12.712 127 2HB ASP 14 1HB ASP 14 15.850 0.147 -13.098 128 H LEU 15 H LEU 15 13.853 0.471 -11.751 129 HA LEU 15 HA LEU 15 14.184 3.317 -11.317 130 1HB LEU 15 2HB LEU 15 12.953 2.410 -13.268 131 2HB LEU 15 1HB LEU 15 11.752 1.748 -12.179 132 HG LEU 15 HG LEU 15 11.425 4.070 -13.450 133 1HD1 LEU 15 1HD1 LEU 15 10.457 3.076 -10.823 134 2HD1 LEU 15 2HD1 LEU 15 9.583 3.321 -12.335 135 3HD1 LEU 15 3HD1 LEU 15 10.009 4.704 -11.328 136 1HD2 LEU 15 1HD2 LEU 15 12.415 5.032 -10.788 137 2HD2 LEU 15 2HD2 LEU 15 12.032 5.966 -12.233 138 3HD2 LEU 15 3HD2 LEU 15 13.478 4.959 -12.192 139 HA PRO 16 HA PRO 16 12.341 2.719 -7.254 140 1HB PRO 16 2HB PRO 16 13.662 4.674 -5.994 141 2HB PRO 16 1HB PRO 16 14.461 3.165 -6.447 142 1HG PRO 16 2HG PRO 16 14.712 5.861 -7.633 143 2HG PRO 16 1HG PRO 16 15.870 4.522 -7.625 144 1HD PRO 16 2HD PRO 16 14.071 5.292 -9.723 145 2HD PRO 16 1HD PRO 16 15.214 3.937 -9.708 146 H GLU 17 H GLU 17 11.127 4.282 -9.393 147 HA GLU 17 HA GLU 17 9.399 5.697 -9.707 148 1HB GLU 17 2HB GLU 17 7.801 5.711 -8.121 149 2HB GLU 17 1HB GLU 17 8.850 4.527 -7.369 150 1HG GLU 17 2HG GLU 17 8.510 5.841 -5.574 151 2HG GLU 17 1HG GLU 17 9.864 6.729 -6.259 152 H GLU 18 H GLU 18 11.552 6.891 -7.108 153 HA GLU 18 HA GLU 18 12.285 9.187 -8.485 154 1HB GLU 18 2HB GLU 18 9.933 9.854 -8.186 155 2HB GLU 18 1HB GLU 18 10.122 9.702 -6.445 156 1HG GLU 18 2HG GLU 18 12.080 11.416 -6.849 157 2HG GLU 18 1HG GLU 18 11.141 11.791 -8.293 158 H PHE 19 H PHE 19 11.843 7.584 -5.444 159 HA PHE 19 HA PHE 19 14.433 8.569 -4.570 160 1HB PHE 19 2HB PHE 19 12.418 10.035 -3.721 161 2HB PHE 19 1HB PHE 19 12.238 8.726 -2.558 162 HD1 PHE 19 HD1 PHE 19 12.967 9.529 -0.524 163 HD2 PHE 19 HD2 PHE 19 15.286 10.296 -4.009 164 HE1 PHE 19 HE1 PHE 19 14.730 10.527 0.873 165 HE2 PHE 19 HE2 PHE 19 17.053 11.294 -2.618 166 HZ PHE 19 HZ PHE 19 16.776 11.410 -0.173 167 H ARG 20 H ARG 20 14.910 6.345 -4.996 168 HA ARG 20 HA ARG 20 15.398 4.222 -4.342 169 1HB ARG 20 2HB ARG 20 14.442 5.032 -1.598 170 2HB ARG 20 1HB ARG 20 15.599 3.771 -2.004 171 1HG ARG 20 2HG ARG 20 16.731 6.028 -3.097 172 2HG ARG 20 1HG ARG 20 16.005 6.619 -1.601 173 1HD ARG 20 2HD ARG 20 18.100 5.958 -0.890 174 2HD ARG 20 1HD ARG 20 17.125 4.530 -0.540 175 HE ARG 20 HE ARG 20 18.318 3.371 -2.113 176 1HH1 ARG 20 2HH1 ARG 20 18.908 6.785 -2.535 177 2HH1 ARG 20 1HH1 ARG 20 20.160 6.551 -3.709 178 1HH2 ARG 20 1HH2 ARG 20 19.961 3.061 -3.659 179 2HH2 ARG 20 2HH2 ARG 20 20.758 4.436 -4.348 180 HA PRO 21 HA PRO 21 11.506 2.098 -4.392 181 1HB PRO 21 2HB PRO 21 12.385 -0.389 -4.721 182 2HB PRO 21 1HB PRO 21 12.680 0.840 -5.957 183 1HG PRO 21 2HG PRO 21 14.546 -0.289 -3.925 184 2HG PRO 21 1HG PRO 21 14.871 0.216 -5.592 185 1HD PRO 21 2HD PRO 21 15.353 1.724 -3.264 186 2HD PRO 21 1HD PRO 21 15.378 2.326 -4.933 187 H PHE 22 H PHE 22 10.267 1.897 -2.626 188 HA PHE 22 HA PHE 22 11.279 0.877 -0.140 189 1HB PHE 22 2HB PHE 22 8.348 1.217 -0.647 190 2HB PHE 22 1HB PHE 22 9.276 1.562 0.808 191 HD1 PHE 22 HD1 PHE 22 10.611 3.629 0.960 192 HD2 PHE 22 HD2 PHE 22 8.044 2.851 -2.344 193 HE1 PHE 22 HE1 PHE 22 10.695 6.009 0.339 194 HE2 PHE 22 HE2 PHE 22 8.124 5.229 -2.971 195 HZ PHE 22 HZ PHE 22 9.452 6.811 -1.629 196 H VAL 23 H VAL 23 9.404 -0.343 -2.812 197 HA VAL 23 HA VAL 23 8.332 -2.651 -1.636 198 HB VAL 23 HB VAL 23 7.600 -1.796 -3.809 199 1HG1 VAL 23 1HG1 VAL 23 9.202 -2.651 -5.758 200 2HG1 VAL 23 2HG1 VAL 23 10.422 -2.327 -4.526 201 3HG1 VAL 23 3HG1 VAL 23 9.337 -1.040 -5.052 202 1HG2 VAL 23 1HG2 VAL 23 7.645 -4.001 -5.066 203 2HG2 VAL 23 2HG2 VAL 23 6.987 -4.036 -3.431 204 3HG2 VAL 23 3HG2 VAL 23 8.622 -4.621 -3.739 205 H ASP 24 H ASP 24 11.562 -1.878 -2.492 206 HA ASP 24 HA ASP 24 12.727 -4.237 -3.221 207 1HB ASP 24 2HB ASP 24 13.930 -2.092 -2.995 208 2HB ASP 24 1HB ASP 24 13.863 -2.250 -1.242 209 H TYR 25 H TYR 25 11.753 -3.275 0.042 210 HA TYR 25 HA TYR 25 12.946 -5.439 1.390 211 1HB TYR 25 2HB TYR 25 11.992 -4.572 3.266 212 2HB TYR 25 1HB TYR 25 11.682 -3.197 2.215 213 HD1 TYR 25 HD1 TYR 25 10.152 -6.252 3.652 214 HD2 TYR 25 HD2 TYR 25 9.468 -2.516 1.738 215 HE1 TYR 25 HE1 TYR 25 7.745 -6.467 4.105 216 HE2 TYR 25 HE2 TYR 25 7.060 -2.720 2.185 217 HH TYR 25 HH TYR 25 5.567 -3.882 3.734 218 H LYS 26 H LYS 26 9.650 -5.017 0.125 219 HA LYS 26 HA LYS 26 8.812 -7.629 0.869 220 1HB LYS 26 2HB LYS 26 6.774 -7.072 -0.016 221 2HB LYS 26 1HB LYS 26 7.437 -5.461 0.207 222 1HG LYS 26 2HG LYS 26 6.745 -5.195 -1.912 223 2HG LYS 26 1HG LYS 26 8.293 -5.954 -2.289 224 1HD LYS 26 2HD LYS 26 6.482 -6.990 -3.555 225 2HD LYS 26 1HD LYS 26 7.189 -8.136 -2.415 226 1HE LYS 26 2HE LYS 26 5.173 -8.494 -1.555 227 2HE LYS 26 1HE LYS 26 5.097 -6.804 -1.064 228 1HZ LYS 26 1HZ LYS 26 3.682 -6.318 -2.704 229 2HZ LYS 26 2HZ LYS 26 3.415 -7.984 -2.803 230 3HZ LYS 26 3HZ LYS 26 4.514 -7.243 -3.851 231 H ALA 27 H ALA 27 10.723 -6.406 -1.685 232 HA ALA 27 HA ALA 27 10.210 -8.587 -3.506 233 1HB ALA 27 1HB ALA 27 10.769 -6.603 -4.606 234 2HB ALA 27 2HB ALA 27 12.247 -7.564 -4.690 235 3HB ALA 27 3HB ALA 27 12.107 -6.263 -3.508 236 H GLY 28 H GLY 28 12.380 -7.864 -0.889 237 1HA GLY 28 2HA GLY 28 13.736 -10.439 -1.396 238 2HA GLY 28 1HA GLY 28 14.641 -9.017 -0.905 239 H LEU 29 H LEU 29 11.481 -9.579 0.430 240 HA LEU 29 HA LEU 29 12.358 -9.445 3.071 241 1HB LEU 29 2HB LEU 29 10.151 -9.919 3.723 242 2HB LEU 29 1HB LEU 29 10.019 -9.057 2.203 243 HG LEU 29 HG LEU 29 10.032 -12.025 2.064 244 1HD1 LEU 29 1HD1 LEU 29 7.396 -10.819 2.584 245 2HD1 LEU 29 2HD1 LEU 29 8.460 -10.986 3.981 246 3HD1 LEU 29 3HD1 LEU 29 8.031 -12.404 3.025 247 1HD2 LEU 29 1HD2 LEU 29 8.382 -11.574 0.304 248 2HD2 LEU 29 2HD2 LEU 29 9.889 -10.698 0.039 249 3HD2 LEU 29 3HD2 LEU 29 8.476 -9.851 0.671 250 H GLU 30 H GLU 30 12.347 -12.079 0.900 251 HA GLU 30 HA GLU 30 13.516 -13.786 2.934 252 1HB GLU 30 2HB GLU 30 10.910 -14.102 2.710 253 2HB GLU 30 1HB GLU 30 11.354 -15.019 1.277 254 1HG GLU 30 2HG GLU 30 13.027 -15.890 3.376 255 2HG GLU 30 1HG GLU 30 11.382 -15.826 4.005 256 H LYS 31 H LYS 31 14.771 -12.563 0.840 257 HA LYS 31 HA LYS 31 16.038 -12.869 -1.021 258 1HB LYS 31 2HB LYS 31 17.357 -14.887 -1.060 259 2HB LYS 31 1HB LYS 31 17.144 -14.384 0.611 260 1HG LYS 31 2HG LYS 31 15.586 -16.108 1.031 261 2HG LYS 31 1HG LYS 31 15.424 -16.477 -0.687 262 1HD LYS 31 2HD LYS 31 17.395 -17.629 -0.766 263 2HD LYS 31 1HD LYS 31 18.133 -16.667 0.516 264 1HE LYS 31 2HE LYS 31 17.748 -18.936 1.281 265 2HE LYS 31 1HE LYS 31 16.722 -17.810 2.167 266 1HZ LYS 31 1HZ LYS 31 15.611 -19.895 1.402 267 2HZ LYS 31 2HZ LYS 31 15.786 -19.346 -0.189 268 3HZ LYS 31 3HZ LYS 31 14.847 -18.467 0.910 269 H LYS 32 H LYS 32 13.338 -12.983 -1.521 270 HA LYS 32 HA LYS 32 12.489 -15.197 -3.030 271 1HB LYS 32 2HB LYS 32 10.951 -13.477 -2.187 272 2HB LYS 32 1HB LYS 32 11.657 -12.301 -3.288 273 1HG LYS 32 2HG LYS 32 10.961 -13.916 -5.152 274 2HG LYS 32 1HG LYS 32 9.944 -14.674 -3.924 275 1HD LYS 32 2HD LYS 32 8.697 -12.683 -3.598 276 2HD LYS 32 1HD LYS 32 9.855 -11.725 -4.524 277 1HE LYS 32 2HE LYS 32 9.014 -12.392 -6.522 278 2HE LYS 32 1HE LYS 32 8.601 -14.001 -5.932 279 1HZ LYS 32 1HZ LYS 32 6.598 -12.825 -6.395 280 2HZ LYS 32 2HZ LYS 32 7.084 -11.492 -5.475 281 3HZ LYS 32 3HZ LYS 32 6.731 -12.960 -4.714 282 H LYS 33 H LYS 33 13.331 -11.996 -4.372 283 HA LYS 33 HA LYS 33 15.131 -13.099 -6.292 284 1HB LYS 33 2HB LYS 33 12.468 -13.321 -6.994 285 2HB LYS 33 1HB LYS 33 12.969 -11.844 -7.805 286 1HG LYS 33 2HG LYS 33 14.889 -13.131 -8.768 287 2HG LYS 33 1HG LYS 33 14.153 -14.592 -8.106 288 1HD LYS 33 2HD LYS 33 12.080 -14.028 -9.387 289 2HD LYS 33 1HD LYS 33 12.979 -12.717 -10.153 290 1HE LYS 33 2HE LYS 33 12.957 -14.680 -11.583 291 2HE LYS 33 1HE LYS 33 14.594 -14.340 -11.024 292 1HZ LYS 33 1HZ LYS 33 13.879 -16.731 -10.949 293 2HZ LYS 33 2HZ LYS 33 12.826 -16.311 -9.693 294 3HZ LYS 33 3HZ LYS 33 14.494 -16.114 -9.498 295 H LEU 34 H LEU 34 15.192 -11.234 -8.222 296 HA LEU 34 HA LEU 34 15.449 -8.666 -6.800 297 1HB LEU 34 2HB LEU 34 17.342 -9.763 -8.880 298 2HB LEU 34 1HB LEU 34 17.490 -8.221 -8.061 299 HG LEU 34 HG LEU 34 19.048 -9.696 -7.047 300 1HD1 LEU 34 1HD1 LEU 34 18.544 -9.286 -4.881 301 2HD1 LEU 34 2HD1 LEU 34 16.919 -9.959 -5.015 302 3HD1 LEU 34 3HD1 LEU 34 17.251 -8.334 -5.613 303 1HD2 LEU 34 1HD2 LEU 34 17.107 -11.689 -6.103 304 2HD2 LEU 34 2HD2 LEU 34 18.759 -11.896 -6.682 305 3HD2 LEU 34 3HD2 LEU 34 17.436 -11.718 -7.835 306 H SER 35 H SER 35 16.278 -7.134 -8.939 307 HA SER 35 HA SER 35 13.901 -6.391 -10.144 308 1HB SER 35 2HB SER 35 15.797 -4.870 -9.934 309 2HB SER 35 1HB SER 35 16.738 -5.851 -11.053 310 HG SER 35 HG SER 35 15.911 -4.558 -12.491 311 H ASP 36 H ASP 36 16.016 -6.569 -12.762 312 HA ASP 36 HA ASP 36 16.017 -7.738 -14.711 313 1HB ASP 36 2HB ASP 36 16.179 -9.674 -12.808 314 2HB ASP 36 1HB ASP 36 14.688 -10.145 -13.620 315 H ASP 37 H ASP 37 13.143 -8.987 -13.036 316 HA ASP 37 HA ASP 37 11.447 -7.695 -15.044 317 1HB ASP 37 2HB ASP 37 10.053 -9.750 -15.170 318 2HB ASP 37 1HB ASP 37 11.682 -9.991 -15.796 319 H ASP 38 H ASP 38 12.209 -7.553 -12.003 320 HA ASP 38 HA ASP 38 9.856 -8.131 -10.554 321 1HB ASP 38 2HB ASP 38 12.329 -7.530 -9.791 322 2HB ASP 38 1HB ASP 38 11.646 -5.910 -9.679 323 H GLU 39 H GLU 39 8.197 -6.797 -9.824 324 HA GLU 39 HA GLU 39 7.996 -4.047 -10.573 325 1HB GLU 39 2HB GLU 39 6.880 -6.100 -12.341 326 2HB GLU 39 1HB GLU 39 5.702 -4.895 -11.842 327 1HG GLU 39 2HG GLU 39 6.743 -3.205 -12.954 328 2HG GLU 39 1HG GLU 39 8.338 -3.940 -12.807 329 H ILE 40 H ILE 40 6.318 -2.992 -9.518 330 HA ILE 40 HA ILE 40 4.386 -4.582 -8.018 331 HB ILE 40 HB ILE 40 6.357 -4.332 -6.526 332 1HG1 ILE 40 2HG1 ILE 40 4.871 -2.912 -4.746 333 2HG1 ILE 40 1HG1 ILE 40 3.640 -3.345 -5.926 334 1HG2 ILE 40 1HG2 ILE 40 7.266 -2.252 -7.232 335 2HG2 ILE 40 2HG2 ILE 40 6.764 -2.063 -5.553 336 3HG2 ILE 40 3HG2 ILE 40 5.770 -1.399 -6.848 337 1HD1 ILE 40 1HD1 ILE 40 4.873 -5.722 -5.599 338 2HD1 ILE 40 2HD1 ILE 40 3.462 -5.195 -4.680 339 3HD1 ILE 40 3HD1 ILE 40 5.079 -5.015 -3.996 340 H ALA 41 H ALA 41 2.484 -3.508 -7.578 341 HA ALA 41 HA ALA 41 2.297 -0.767 -8.646 342 1HB ALA 41 1HB ALA 41 0.292 -3.010 -8.684 343 2HB ALA 41 2HB ALA 41 1.042 -2.195 -10.056 344 3HB ALA 41 3HB ALA 41 -0.125 -1.336 -9.051 345 H ILE 42 H ILE 42 1.992 0.728 -7.153 346 HA ILE 42 HA ILE 42 0.507 0.013 -4.707 347 HB ILE 42 HB ILE 42 1.767 2.132 -3.808 348 1HG1 ILE 42 2HG1 ILE 42 3.587 1.178 -6.031 349 2HG1 ILE 42 1HG1 ILE 42 2.829 2.762 -5.907 350 1HG2 ILE 42 1HG2 ILE 42 2.843 -0.649 -4.101 351 2HG2 ILE 42 2HG2 ILE 42 2.076 0.103 -2.704 352 3HG2 ILE 42 3HG2 ILE 42 3.706 0.578 -3.176 353 1HD1 ILE 42 1HD1 ILE 42 5.082 3.022 -5.264 354 2HD1 ILE 42 2HD1 ILE 42 5.013 1.624 -4.192 355 3HD1 ILE 42 3HD1 ILE 42 4.128 3.094 -3.783 356 H ILE 43 H ILE 43 -1.226 1.221 -4.150 357 HA ILE 43 HA ILE 43 -1.712 3.717 -5.622 358 HB ILE 43 HB ILE 43 -3.853 1.649 -5.140 359 1HG1 ILE 43 2HG1 ILE 43 -2.633 2.317 -7.812 360 2HG1 ILE 43 1HG1 ILE 43 -1.998 1.020 -6.805 361 1HG2 ILE 43 1HG2 ILE 43 -4.751 3.861 -5.257 362 2HG2 ILE 43 2HG2 ILE 43 -5.103 3.048 -6.782 363 3HG2 ILE 43 3HG2 ILE 43 -3.797 4.229 -6.694 364 1HD1 ILE 43 1HD1 ILE 43 -3.449 -0.283 -7.868 365 2HD1 ILE 43 2HD1 ILE 43 -4.361 1.093 -8.491 366 3HD1 ILE 43 3HD1 ILE 43 -4.685 0.480 -6.869 367 H SER 44 H SER 44 -2.440 5.352 -4.414 368 HA SER 44 HA SER 44 -3.201 4.773 -1.629 369 1HB SER 44 2HB SER 44 -2.400 6.967 -1.045 370 2HB SER 44 1HB SER 44 -1.153 6.192 -2.021 371 HG SER 44 HG SER 44 -2.432 8.486 -2.476 372 H ILE 45 H ILE 45 -4.906 6.093 -0.676 373 HA ILE 45 HA ILE 45 -6.544 7.768 -2.292 374 HB ILE 45 HB ILE 45 -8.595 6.138 -1.941 375 1HG1 ILE 45 2HG1 ILE 45 -7.773 3.794 -2.632 376 2HG1 ILE 45 1HG1 ILE 45 -6.200 4.310 -2.036 377 1HG2 ILE 45 1HG2 ILE 45 -7.345 7.102 -4.067 378 2HG2 ILE 45 2HG2 ILE 45 -8.614 5.884 -4.200 379 3HG2 ILE 45 3HG2 ILE 45 -6.918 5.404 -4.274 380 1HD1 ILE 45 1HD1 ILE 45 -8.746 4.190 -0.437 381 2HD1 ILE 45 2HD1 ILE 45 -7.173 4.711 0.166 382 3HD1 ILE 45 3HD1 ILE 45 -7.407 3.045 -0.359 383 H LYS 46 H LYS 46 -5.735 8.726 -0.156 384 HA LYS 46 HA LYS 46 -6.092 9.420 1.988 385 1HB LYS 46 2HB LYS 46 -7.967 10.434 0.674 386 2HB LYS 46 1HB LYS 46 -8.986 9.097 1.183 387 1HG LYS 46 2HG LYS 46 -9.339 11.145 2.499 388 2HG LYS 46 1HG LYS 46 -8.824 9.779 3.484 389 1HD LYS 46 2HD LYS 46 -7.252 11.127 4.314 390 2HD LYS 46 1HD LYS 46 -6.450 11.008 2.749 391 1HE LYS 46 2HE LYS 46 -6.773 13.341 3.501 392 2HE LYS 46 1HE LYS 46 -7.566 12.990 1.967 393 1HZ LYS 46 1HZ LYS 46 -9.643 13.069 2.922 394 2HZ LYS 46 2HZ LYS 46 -8.837 14.279 3.784 395 3HZ LYS 46 3HZ LYS 46 -9.073 12.759 4.485 396 H GLY 47 H GLY 47 -5.825 6.529 1.679 397 1HA GLY 47 2HA GLY 47 -7.712 5.219 3.371 398 2HA GLY 47 1HA GLY 47 -6.147 4.586 2.876 399 H THR 48 H THR 48 -7.491 7.123 4.983 400 HA THR 48 HA THR 48 -7.065 7.650 7.158 401 HB THR 48 HB THR 48 -5.073 5.480 7.557 402 HG1 THR 48 HG1 THR 48 -7.784 5.043 6.906 403 1HG2 THR 48 1HG2 THR 48 -6.030 5.240 9.658 404 2HG2 THR 48 2HG2 THR 48 -7.540 6.006 9.164 405 3HG2 THR 48 3HG2 THR 48 -6.082 6.978 9.365 406 H GLN 49 H GLN 49 -4.030 6.257 5.893 407 HA GLN 49 HA GLN 49 -2.745 8.686 5.409 408 1HB GLN 49 2HB GLN 49 -2.897 9.016 7.837 409 2HB GLN 49 1HB GLN 49 -2.076 7.484 8.104 410 1HG GLN 49 2HG GLN 49 -0.434 9.005 6.393 411 2HG GLN 49 1HG GLN 49 -0.968 10.078 7.686 412 1HE2 GLN 49 1HE2 GLN 49 -0.742 9.189 9.911 413 2HE2 GLN 49 2HE2 GLN 49 0.670 8.257 10.260 414 H SER 50 H SER 50 -2.790 6.498 3.907 415 HA SER 50 HA SER 50 -0.121 5.912 3.397 416 1HB SER 50 2HB SER 50 -1.034 4.440 5.599 417 2HB SER 50 1HB SER 50 -1.047 3.301 4.253 418 HG SER 50 HG SER 50 1.164 4.150 3.844 419 H ASN 51 H ASN 51 -0.245 3.362 2.327 420 HA ASN 51 HA ASN 51 -2.595 3.219 0.623 421 1HB ASN 51 2HB ASN 51 -1.151 3.139 -1.440 422 2HB ASN 51 1HB ASN 51 -1.254 4.723 -0.676 423 1HD2 ASN 51 1HD2 ASN 51 0.578 5.743 -0.288 424 2HD2 ASN 51 2HD2 ASN 51 2.150 5.025 -0.255 425 H HIS 52 H HIS 52 -2.504 1.266 -0.811 426 HA HIS 52 HA HIS 52 -1.245 -0.931 0.666 427 1HB HIS 52 2HB HIS 52 -2.828 -2.348 -0.744 428 2HB HIS 52 1HB HIS 52 -3.576 -1.289 0.448 429 HD1 HIS 52 HD1 HIS 52 -5.120 0.537 -0.409 430 HD2 HIS 52 HD2 HIS 52 -3.184 -1.531 -3.450 431 HE1 HIS 52 HE1 HIS 52 -6.245 1.263 -2.538 432 HE2 HIS 52 HE2 HIS 52 -5.060 -0.003 -4.366 433 H VAL 53 H VAL 53 0.093 -2.420 -0.303 434 HA VAL 53 HA VAL 53 1.146 -1.625 -2.928 435 HB VAL 53 HB VAL 53 2.778 -1.657 -1.085 436 1HG1 VAL 53 1HG1 VAL 53 2.921 -4.575 -0.910 437 2HG1 VAL 53 2HG1 VAL 53 1.462 -3.878 -0.205 438 3HG1 VAL 53 3HG1 VAL 53 3.049 -3.351 0.354 439 1HG2 VAL 53 1HG2 VAL 53 4.430 -2.364 -2.442 440 2HG2 VAL 53 2HG2 VAL 53 3.123 -2.575 -3.607 441 3HG2 VAL 53 3HG2 VAL 53 3.701 -3.954 -2.672 442 H LEU 54 H LEU 54 0.613 -2.809 -4.624 443 HA LEU 54 HA LEU 54 -0.251 -5.589 -4.197 444 1HB LEU 54 2HB LEU 54 -1.449 -3.472 -5.587 445 2HB LEU 54 1HB LEU 54 -0.829 -4.542 -6.830 446 HG LEU 54 HG LEU 54 -3.163 -5.043 -6.265 447 1HD1 LEU 54 1HD1 LEU 54 -1.645 -7.360 -5.184 448 2HD1 LEU 54 2HD1 LEU 54 -1.286 -6.805 -6.819 449 3HD1 LEU 54 3HD1 LEU 54 -2.922 -7.310 -6.399 450 1HD2 LEU 54 1HD2 LEU 54 -2.629 -4.393 -3.755 451 2HD2 LEU 54 2HD2 LEU 54 -2.374 -6.133 -3.618 452 3HD2 LEU 54 3HD2 LEU 54 -3.929 -5.511 -4.171 453 H PHE 55 H PHE 55 0.836 -7.229 -5.112 454 HA PHE 55 HA PHE 55 3.323 -6.635 -6.460 455 1HB PHE 55 2HB PHE 55 3.178 -8.401 -4.725 456 2HB PHE 55 1HB PHE 55 2.100 -9.315 -5.775 457 HD1 PHE 55 HD1 PHE 55 3.072 -11.077 -6.856 458 HD2 PHE 55 HD2 PHE 55 5.402 -7.597 -6.096 459 HE1 PHE 55 HE1 PHE 55 5.013 -12.147 -7.926 460 HE2 PHE 55 HE2 PHE 55 7.347 -8.661 -7.164 461 HZ PHE 55 HZ PHE 55 7.153 -10.938 -8.081 462 H LEU 56 H LEU 56 3.921 -7.332 -8.521 463 HA LEU 56 HA LEU 56 1.656 -7.900 -10.315 464 1HB LEU 56 2HB LEU 56 4.075 -6.207 -10.563 465 2HB LEU 56 1HB LEU 56 3.572 -7.065 -12.006 466 HG LEU 56 HG LEU 56 2.687 -4.753 -11.871 467 1HD1 LEU 56 1HD1 LEU 56 0.262 -5.430 -12.250 468 2HD1 LEU 56 2HD1 LEU 56 0.788 -7.079 -11.911 469 3HD1 LEU 56 3HD1 LEU 56 1.478 -6.195 -13.272 470 1HD2 LEU 56 1HD2 LEU 56 0.782 -4.380 -10.287 471 2HD2 LEU 56 2HD2 LEU 56 2.369 -4.481 -9.525 472 3HD2 LEU 56 3HD2 LEU 56 1.268 -5.856 -9.454 473 H SER 57 H SER 57 1.697 -10.132 -10.230 474 HA SER 57 HA SER 57 3.911 -11.794 -10.277 475 1HB SER 57 2HB SER 57 1.581 -12.748 -11.827 476 2HB SER 57 1HB SER 57 2.412 -13.494 -10.462 477 HG SER 57 HG SER 57 0.554 -12.891 -9.569 478 H SER 58 H SER 58 1.829 -11.253 -13.119 479 HA SER 58 HA SER 58 3.876 -10.490 -14.875 480 1HB SER 58 2HB SER 58 3.860 -12.706 -16.223 481 2HB SER 58 1HB SER 58 4.877 -12.609 -14.786 482 HG SER 58 HG SER 58 3.191 -13.667 -13.636 483 H TYR 59 H TYR 59 1.649 -9.283 -14.774 484 HA TYR 59 HA TYR 59 -0.013 -10.328 -16.972 485 1HB TYR 59 2HB TYR 59 -0.752 -9.212 -14.342 486 2HB TYR 59 1HB TYR 59 -1.687 -8.598 -15.703 487 HD1 TYR 59 HD1 TYR 59 -3.772 -9.608 -15.549 488 HD2 TYR 59 HD2 TYR 59 -0.286 -12.001 -15.086 489 HE1 TYR 59 HE1 TYR 59 -5.173 -11.628 -15.495 490 HE2 TYR 59 HE2 TYR 59 -1.676 -14.028 -15.033 491 HH TYR 59 HH TYR 59 -5.047 -13.931 -14.656 492 H ASN 60 H ASN 60 -0.302 -9.046 -18.692 493 HA ASN 60 HA ASN 60 0.294 -6.186 -18.465 494 1HB ASN 60 2HB ASN 60 1.734 -8.181 -20.129 495 2HB ASN 60 1HB ASN 60 1.372 -6.633 -20.884 496 1HD2 ASN 60 1HD2 ASN 60 3.926 -7.839 -20.077 497 2HD2 ASN 60 2HD2 ASN 60 4.671 -6.689 -19.025 498 H SER 61 H SER 61 -2.157 -7.815 -18.753 499 HA SER 61 HA SER 61 -3.421 -6.239 -20.771 500 1HB SER 61 2HB SER 61 -3.491 -9.214 -21.277 501 2HB SER 61 1HB SER 61 -4.025 -7.911 -22.337 502 HG SER 61 HG SER 61 -1.390 -8.699 -21.695 503 H VAL 62 H VAL 62 -5.663 -7.935 -21.184 504 HA VAL 62 HA VAL 62 -7.697 -8.330 -20.280 505 HB VAL 62 HB VAL 62 -6.411 -10.302 -19.417 506 1HG1 VAL 62 1HG1 VAL 62 -6.242 -10.231 -16.813 507 2HG1 VAL 62 2HG1 VAL 62 -6.087 -8.495 -17.065 508 3HG1 VAL 62 3HG1 VAL 62 -4.931 -9.599 -17.807 509 1HG2 VAL 62 1HG2 VAL 62 -8.539 -10.849 -19.047 510 2HG2 VAL 62 2HG2 VAL 62 -8.943 -9.238 -18.457 511 3HG2 VAL 62 3HG2 VAL 62 -8.233 -10.425 -17.363 512 H ASP 63 H ASP 63 -9.284 -7.387 -19.084 513 HA ASP 63 HA ASP 63 -8.444 -5.103 -17.467 514 1HB ASP 63 2HB ASP 63 -10.789 -5.759 -19.126 515 2HB ASP 63 1HB ASP 63 -11.161 -4.897 -17.635 516 H GLU 64 H GLU 64 -10.034 -8.179 -17.192 517 HA GLU 64 HA GLU 64 -11.485 -7.916 -14.863 518 1HB GLU 64 2HB GLU 64 -10.886 -9.986 -16.491 519 2HB GLU 64 1HB GLU 64 -9.882 -10.394 -15.107 520 1HG GLU 64 2HG GLU 64 -12.704 -9.653 -14.589 521 2HG GLU 64 1HG GLU 64 -12.384 -11.217 -15.335 522 H ILE 65 H ILE 65 -8.041 -7.969 -15.290 523 HA ILE 65 HA ILE 65 -7.505 -8.400 -12.473 524 HB ILE 65 HB ILE 65 -6.036 -9.235 -14.386 525 1HG1 ILE 65 2HG1 ILE 65 -5.479 -8.955 -11.853 526 2HG1 ILE 65 1HG1 ILE 65 -4.184 -9.307 -12.990 527 1HG2 ILE 65 1HG2 ILE 65 -5.983 -7.118 -15.639 528 2HG2 ILE 65 2HG2 ILE 65 -4.369 -7.732 -15.279 529 3HG2 ILE 65 3HG2 ILE 65 -5.033 -6.393 -14.342 530 1HD1 ILE 65 1HD1 ILE 65 -3.992 -7.420 -11.145 531 2HD1 ILE 65 2HD1 ILE 65 -4.746 -6.460 -12.416 532 3HD1 ILE 65 3HD1 ILE 65 -3.215 -7.278 -12.721 533 H ARG 66 H ARG 66 -7.321 -5.759 -14.821 534 HA ARG 66 HA ARG 66 -6.259 -3.852 -12.996 535 1HB ARG 66 2HB ARG 66 -6.151 -3.751 -15.528 536 2HB ARG 66 1HB ARG 66 -7.838 -3.255 -15.497 537 1HG ARG 66 2HG ARG 66 -6.868 -1.452 -13.801 538 2HG ARG 66 1HG ARG 66 -5.402 -1.759 -14.733 539 1HD ARG 66 2HD ARG 66 -7.405 -1.528 -16.644 540 2HD ARG 66 1HD ARG 66 -7.786 -0.282 -15.457 541 HE ARG 66 HE ARG 66 -5.024 -0.280 -16.190 542 1HH1 ARG 66 2HH1 ARG 66 -8.198 0.779 -17.180 543 2HH1 ARG 66 1HH1 ARG 66 -7.599 2.107 -18.117 544 1HH2 ARG 66 1HH2 ARG 66 -4.235 1.463 -17.424 545 2HH2 ARG 66 2HH2 ARG 66 -5.349 2.495 -18.256 546 H LYS 67 H LYS 67 -9.531 -4.431 -14.262 547 HA LYS 67 HA LYS 67 -10.849 -2.380 -12.924 548 1HB LYS 67 2HB LYS 67 -11.725 -3.994 -14.726 549 2HB LYS 67 1HB LYS 67 -12.096 -5.078 -13.392 550 1HG LYS 67 2HG LYS 67 -13.537 -3.373 -12.402 551 2HG LYS 67 1HG LYS 67 -13.163 -2.283 -13.739 552 1HD LYS 67 2HD LYS 67 -15.177 -3.192 -14.413 553 2HD LYS 67 1HD LYS 67 -14.015 -4.247 -15.221 554 1HE LYS 67 2HE LYS 67 -14.288 -5.528 -12.858 555 2HE LYS 67 1HE LYS 67 -15.894 -4.819 -13.026 556 1HZ LYS 67 1HZ LYS 67 -15.363 -7.138 -14.045 557 2HZ LYS 67 2HZ LYS 67 -14.717 -6.229 -15.316 558 3HZ LYS 67 3HZ LYS 67 -16.343 -6.046 -14.888 559 H GLU 68 H GLU 68 -9.766 -5.494 -11.775 560 HA GLU 68 HA GLU 68 -11.292 -5.438 -9.351 561 1HB GLU 68 2HB GLU 68 -10.463 -7.531 -10.434 562 2HB GLU 68 1HB GLU 68 -8.828 -7.068 -9.983 563 1HG GLU 68 2HG GLU 68 -9.084 -7.792 -7.897 564 2HG GLU 68 1HG GLU 68 -10.664 -7.029 -7.733 565 H LEU 69 H LEU 69 -8.154 -4.303 -10.363 566 HA LEU 69 HA LEU 69 -7.163 -3.862 -7.705 567 1HB LEU 69 2HB LEU 69 -6.056 -3.945 -10.256 568 2HB LEU 69 1HB LEU 69 -5.895 -2.266 -9.778 569 HG LEU 69 HG LEU 69 -4.734 -3.005 -7.708 570 1HD1 LEU 69 1HD1 LEU 69 -5.418 -5.650 -8.829 571 2HD1 LEU 69 2HD1 LEU 69 -5.241 -5.136 -7.151 572 3HD1 LEU 69 3HD1 LEU 69 -3.810 -5.484 -8.123 573 1HD2 LEU 69 1HD2 LEU 69 -3.715 -2.637 -10.171 574 2HD2 LEU 69 2HD2 LEU 69 -3.162 -4.281 -9.851 575 3HD2 LEU 69 3HD2 LEU 69 -2.732 -2.974 -8.747 576 H GLU 70 H GLU 70 -8.349 -1.742 -10.310 577 HA GLU 70 HA GLU 70 -8.133 0.679 -8.933 578 1HB GLU 70 2HB GLU 70 -9.936 1.461 -10.530 579 2HB GLU 70 1HB GLU 70 -8.500 0.769 -11.273 580 1HG GLU 70 2HG GLU 70 -9.654 -0.880 -12.224 581 2HG GLU 70 1HG GLU 70 -10.569 -1.206 -10.754 582 H GLU 71 H GLU 71 -10.575 -1.813 -8.816 583 HA GLU 71 HA GLU 71 -12.472 -0.203 -7.365 584 1HB GLU 71 2HB GLU 71 -12.366 -2.932 -8.465 585 2HB GLU 71 1HB GLU 71 -13.297 -2.776 -6.980 586 1HG GLU 71 2HG GLU 71 -14.719 -2.536 -8.924 587 2HG GLU 71 1HG GLU 71 -14.656 -1.033 -8.004 588 H ALA 72 H ALA 72 -9.871 -2.383 -6.605 589 HA ALA 72 HA ALA 72 -10.581 -2.994 -3.946 590 1HB ALA 72 1HB ALA 72 -8.950 -4.387 -4.818 591 2HB ALA 72 2HB ALA 72 -8.018 -3.341 -3.746 592 3HB ALA 72 3HB ALA 72 -8.017 -3.046 -5.485 593 H GLY 73 H GLY 73 -9.009 -0.237 -5.409 594 1HA GLY 73 2HA GLY 73 -8.152 0.848 -2.858 595 2HA GLY 73 1HA GLY 73 -7.962 1.605 -4.432 596 H ALA 74 H ALA 74 -10.717 1.430 -5.206 597 HA ALA 74 HA ALA 74 -11.754 3.618 -3.581 598 1HB ALA 74 1HB ALA 74 -12.759 4.421 -5.430 599 2HB ALA 74 2HB ALA 74 -13.205 2.815 -6.007 600 3HB ALA 74 3HB ALA 74 -11.565 3.416 -6.250 601 H LYS 75 H LYS 75 -13.179 0.875 -5.260 602 HA LYS 75 HA LYS 75 -15.558 0.786 -3.808 603 1HB LYS 75 2HB LYS 75 -14.594 -0.546 -5.969 604 2HB LYS 75 1HB LYS 75 -14.516 -1.812 -4.752 605 1HG LYS 75 2HG LYS 75 -16.752 -2.028 -4.641 606 2HG LYS 75 1HG LYS 75 -17.036 -0.298 -4.839 607 1HD LYS 75 2HD LYS 75 -16.802 -0.431 -7.187 608 2HD LYS 75 1HD LYS 75 -16.113 -2.053 -7.101 609 1HE LYS 75 2HE LYS 75 -18.496 -2.459 -5.891 610 2HE LYS 75 1HE LYS 75 -18.925 -1.176 -7.023 611 1HZ LYS 75 1HZ LYS 75 -18.906 -3.762 -7.653 612 2HZ LYS 75 2HZ LYS 75 -17.337 -3.342 -8.123 613 3HZ LYS 75 3HZ LYS 75 -18.664 -2.526 -8.783 614 H ILE 76 H ILE 76 -15.822 -1.842 -2.892 615 HA ILE 76 HA ILE 76 -15.158 -1.661 -0.230 616 HB ILE 76 HB ILE 76 -15.398 -4.259 -1.749 617 1HG1 ILE 76 2HG1 ILE 76 -17.325 -2.927 -2.294 618 2HG1 ILE 76 1HG1 ILE 76 -17.820 -4.114 -1.093 619 1HG2 ILE 76 1HG2 ILE 76 -14.589 -4.604 0.483 620 2HG2 ILE 76 2HG2 ILE 76 -16.284 -5.088 0.423 621 3HG2 ILE 76 3HG2 ILE 76 -15.833 -3.544 1.145 622 1HD1 ILE 76 1HD1 ILE 76 -18.823 -2.037 -0.535 623 2HD1 ILE 76 2HD1 ILE 76 -17.281 -1.191 -0.658 624 3HD1 ILE 76 3HD1 ILE 76 -17.551 -2.348 0.646 625 H ASN 77 H ASN 77 -13.618 -2.785 1.091 626 HA ASN 77 HA ASN 77 -10.976 -2.800 -0.100 627 1HB ASN 77 2HB ASN 77 -10.164 -3.002 2.198 628 2HB ASN 77 1HB ASN 77 -11.347 -1.705 2.076 629 1HD2 ASN 77 1HD2 ASN 77 -11.251 -2.160 4.468 630 2HD2 ASN 77 2HD2 ASN 77 -12.387 -3.305 5.085 631 H HIS 78 H HIS 78 -9.593 -4.643 1.338 632 HA HIS 78 HA HIS 78 -9.892 -6.993 -0.079 633 1HB HIS 78 2HB HIS 78 -8.683 -6.653 2.672 634 2HB HIS 78 1HB HIS 78 -8.414 -8.023 1.601 635 HD1 HIS 78 HD1 HIS 78 -7.502 -4.428 2.080 636 HD2 HIS 78 HD2 HIS 78 -6.631 -7.564 -0.504 637 HE1 HIS 78 HE1 HIS 78 -5.520 -3.661 0.737 638 HE2 HIS 78 HE2 HIS 78 -4.956 -5.609 -0.757 639 H THR 79 H THR 79 -11.588 -5.936 2.752 640 HA THR 79 HA THR 79 -13.322 -6.819 3.927 641 HB THR 79 HB THR 79 -13.699 -9.065 2.012 642 HG1 THR 79 HG1 THR 79 -14.239 -6.379 1.300 643 1HG2 THR 79 1HG2 THR 79 -16.026 -8.374 2.102 644 2HG2 THR 79 2HG2 THR 79 -15.587 -7.003 3.120 645 3HG2 THR 79 3HG2 THR 79 -15.379 -8.649 3.719 646 H THR 80 H THR 80 -12.061 -7.492 5.661 647 HA THR 80 HA THR 80 -10.952 -8.917 7.066 648 HB THR 80 HB THR 80 -13.240 -9.623 7.416 649 HG1 THR 80 HG1 THR 80 -11.834 -10.884 8.534 650 1HG2 THR 80 1HG2 THR 80 -14.125 -11.634 6.258 651 2HG2 THR 80 2HG2 THR 80 -12.802 -11.488 5.102 652 3HG2 THR 80 3HG2 THR 80 -14.001 -10.202 5.237 653 H LEU 81 H LEU 81 -9.344 -8.749 5.030 654 HA LEU 81 HA LEU 81 -7.825 -9.764 3.657 655 1HB LEU 81 2HB LEU 81 -7.229 -12.124 5.044 656 2HB LEU 81 1HB LEU 81 -6.400 -10.585 5.145 657 HG LEU 81 HG LEU 81 -8.347 -10.095 6.911 658 1HD1 LEU 81 1HD1 LEU 81 -8.856 -12.738 6.333 659 2HD1 LEU 81 2HD1 LEU 81 -9.390 -11.868 7.771 660 3HD1 LEU 81 3HD1 LEU 81 -7.909 -12.824 7.819 661 1HD2 LEU 81 1HD2 LEU 81 -5.867 -11.696 7.527 662 2HD2 LEU 81 2HD2 LEU 81 -6.768 -10.684 8.655 663 3HD2 LEU 81 3HD2 LEU 81 -5.924 -9.948 7.292 664 H LYS 82 H LYS 82 -10.484 -10.382 2.911 665 HA LYS 82 HA LYS 82 -10.662 -13.198 2.356 666 1HB LYS 82 2HB LYS 82 -12.680 -11.840 2.713 667 2HB LYS 82 1HB LYS 82 -12.296 -10.890 1.284 668 1HG LYS 82 2HG LYS 82 -14.016 -12.510 0.784 669 2HG LYS 82 1HG LYS 82 -12.541 -12.894 -0.105 670 1HD LYS 82 2HD LYS 82 -12.622 -14.948 0.748 671 2HD LYS 82 1HD LYS 82 -12.354 -14.255 2.349 672 1HE LYS 82 2HE LYS 82 -14.721 -14.051 2.714 673 2HE LYS 82 1HE LYS 82 -15.063 -14.548 1.057 674 1HZ LYS 82 1HZ LYS 82 -15.356 -16.522 2.094 675 2HZ LYS 82 2HZ LYS 82 -14.294 -16.163 3.360 676 3HZ LYS 82 3HZ LYS 82 -13.684 -16.641 1.856 677 H ILE 83 H ILE 83 -10.188 -10.285 0.347 678 HA ILE 83 HA ILE 83 -9.883 -11.547 -2.107 679 HB ILE 83 HB ILE 83 -8.428 -9.069 -1.167 680 1HG1 ILE 83 2HG1 ILE 83 -11.129 -9.443 -2.480 681 2HG1 ILE 83 1HG1 ILE 83 -10.814 -8.797 -0.872 682 1HG2 ILE 83 1HG2 ILE 83 -7.428 -9.923 -3.182 683 2HG2 ILE 83 2HG2 ILE 83 -8.386 -8.499 -3.582 684 3HG2 ILE 83 3HG2 ILE 83 -9.010 -10.108 -3.937 685 1HD1 ILE 83 1HD1 ILE 83 -9.392 -7.066 -2.345 686 2HD1 ILE 83 2HD1 ILE 83 -11.091 -6.836 -1.933 687 3HD1 ILE 83 3HD1 ILE 83 -10.647 -7.498 -3.506 688 H LEU 84 H LEU 84 -7.519 -11.013 0.456 689 HA LEU 84 HA LEU 84 -5.263 -11.898 -0.999 690 1HB LEU 84 2HB LEU 84 -5.690 -12.052 1.986 691 2HB LEU 84 1HB LEU 84 -4.151 -12.069 1.147 692 HG LEU 84 HG LEU 84 -5.922 -9.699 0.784 693 1HD1 LEU 84 1HD1 LEU 84 -4.063 -9.766 3.114 694 2HD1 LEU 84 2HD1 LEU 84 -5.693 -10.418 3.287 695 3HD1 LEU 84 3HD1 LEU 84 -5.462 -8.734 2.815 696 1HD2 LEU 84 1HD2 LEU 84 -3.051 -10.392 0.573 697 2HD2 LEU 84 2HD2 LEU 84 -3.448 -8.754 1.091 698 3HD2 LEU 84 3HD2 LEU 84 -4.050 -9.362 -0.451 699 H GLU 85 H GLU 85 -7.605 -13.545 1.070 700 HA GLU 85 HA GLU 85 -6.302 -16.085 0.915 701 1HB GLU 85 2HB GLU 85 -8.052 -15.193 2.645 702 2HB GLU 85 1HB GLU 85 -9.232 -15.775 1.479 703 1HG GLU 85 2HG GLU 85 -8.818 -17.432 3.196 704 2HG GLU 85 1HG GLU 85 -8.277 -18.014 1.622 705 H GLY 86 H GLY 86 -8.161 -14.272 -1.263 706 1HA GLY 86 2HA GLY 86 -9.213 -16.601 -2.668 707 2HA GLY 86 1HA GLY 86 -9.528 -14.918 -3.060 708 H HIS 87 H HIS 87 -6.652 -14.206 -3.014 709 HA HIS 87 HA HIS 87 -5.222 -15.806 -4.839 710 1HB HIS 87 2HB HIS 87 -5.405 -14.259 -6.833 711 2HB HIS 87 1HB HIS 87 -6.824 -15.248 -6.505 712 HD1 HIS 87 HD1 HIS 87 -5.588 -11.700 -6.014 713 HD2 HIS 87 HD2 HIS 87 -9.144 -13.843 -6.180 714 HE1 HIS 87 HE1 HIS 87 -7.416 -9.972 -5.979 715 HE2 HIS 87 HE2 HIS 87 -9.559 -11.297 -5.989 716 H LEU 88 HN LEU 88 -4.007 -14.980 -2.837 717 HA LEU 88 HA LEU 88 -2.051 -13.134 -3.718 718 1HB LEU 88 2HB LEU 88 -4.245 -11.861 -2.700 719 2HB LEU 88 1HB LEU 88 -3.228 -12.001 -1.279 720 HG LEU 88 HG LEU 88 -2.812 -9.874 -2.303 721 1HD1 LEU 88 1HD1 LEU 88 -0.366 -10.236 -3.040 722 2HD1 LEU 88 2HD1 LEU 88 -0.650 -11.921 -2.606 723 3HD1 LEU 88 3HD1 LEU 88 -0.828 -10.655 -1.392 724 1HD2 LEU 88 1HD2 LEU 88 -2.101 -11.348 -4.835 725 2HD2 LEU 88 2HD2 LEU 88 -2.119 -9.602 -4.585 726 3HD2 LEU 88 3HD2 LEU 88 -3.629 -10.512 -4.561 Start of MODEL 12 1 1H LEU 1 1H LEU 1 -14.211 14.956 -1.931 2 2H LEU 1 2H LEU 1 -14.667 15.826 -0.523 3 3H LEU 1 3H LEU 1 -13.061 15.244 -0.694 4 HA LEU 1 HA LEU 1 -14.266 17.148 -2.571 5 1HB LEU 1 2HB LEU 1 -14.407 18.100 -0.344 6 2HB LEU 1 1HB LEU 1 -12.742 17.657 -0.014 7 HG LEU 1 HG LEU 1 -12.192 19.203 -2.037 8 1HD1 LEU 1 1HD1 LEU 1 -13.732 20.716 -2.742 9 2HD1 LEU 1 2HD1 LEU 1 -14.601 20.715 -1.208 10 3HD1 LEU 1 3HD1 LEU 1 -14.821 19.386 -2.344 11 1HD2 LEU 1 1HD2 LEU 1 -13.151 20.457 0.527 12 2HD2 LEU 1 2HD2 LEU 1 -11.890 21.047 -0.555 13 3HD2 LEU 1 3HD2 LEU 1 -11.636 19.570 0.374 14 H PHE 2 H PHE 2 -13.093 16.420 -4.304 15 HA PHE 2 HA PHE 2 -11.308 16.138 -5.682 16 1HB PHE 2 2HB PHE 2 -10.810 18.454 -5.014 17 2HB PHE 2 1HB PHE 2 -9.896 17.860 -3.632 18 HD1 PHE 2 HD1 PHE 2 -10.019 17.342 -7.329 19 HD2 PHE 2 HD2 PHE 2 -7.620 17.824 -3.847 20 HE1 PHE 2 HE1 PHE 2 -7.989 17.251 -8.718 21 HE2 PHE 2 HE2 PHE 2 -5.587 17.733 -5.229 22 HZ PHE 2 HZ PHE 2 -5.770 17.447 -7.668 23 H ILE 3 H ILE 3 -11.497 13.872 -4.838 24 HA ILE 3 HA ILE 3 -9.684 12.903 -2.884 25 HB ILE 3 HB ILE 3 -10.953 11.330 -5.127 26 1HG1 ILE 3 2HG1 ILE 3 -12.637 12.598 -3.841 27 2HG1 ILE 3 1HG1 ILE 3 -12.783 10.862 -3.580 28 1HG2 ILE 3 1HG2 ILE 3 -9.388 10.637 -2.731 29 2HG2 ILE 3 2HG2 ILE 3 -9.577 9.772 -4.256 30 3HG2 ILE 3 3HG2 ILE 3 -10.826 9.657 -3.017 31 1HD1 ILE 3 1HD1 ILE 3 -12.273 12.987 -1.687 32 2HD1 ILE 3 2HD1 ILE 3 -11.084 11.689 -1.567 33 3HD1 ILE 3 3HD1 ILE 3 -12.804 11.328 -1.413 34 H ALA 4 H ALA 4 -7.575 12.525 -3.028 35 HA ALA 4 HA ALA 4 -6.245 12.800 -5.595 36 1HB ALA 4 1HB ALA 4 -5.562 13.671 -3.144 37 2HB ALA 4 2HB ALA 4 -4.398 13.390 -4.439 38 3HB ALA 4 3HB ALA 4 -4.651 12.162 -3.198 39 H THR 5 H THR 5 -6.638 10.938 -6.739 40 HA THR 5 HA THR 5 -5.895 8.383 -5.508 41 HB THR 5 HB THR 5 -6.966 7.386 -7.544 42 HG1 THR 5 HG1 THR 5 -7.848 10.031 -8.039 43 1HG2 THR 5 1HG2 THR 5 -8.300 8.750 -5.405 44 2HG2 THR 5 2HG2 THR 5 -8.734 7.252 -6.229 45 3HG2 THR 5 3HG2 THR 5 -9.272 8.803 -6.876 46 H LEU 6 H LEU 6 -3.684 8.353 -5.617 47 HA LEU 6 HA LEU 6 -2.481 8.637 -8.290 48 1HB LEU 6 2HB LEU 6 -0.323 8.703 -6.759 49 2HB LEU 6 1HB LEU 6 -1.271 10.139 -7.088 50 HG LEU 6 HG LEU 6 -1.942 8.534 -4.667 51 1HD1 LEU 6 1HD1 LEU 6 0.447 10.346 -4.937 52 2HD1 LEU 6 2HD1 LEU 6 0.428 8.652 -4.445 53 3HD1 LEU 6 3HD1 LEU 6 -0.269 9.884 -3.393 54 1HD2 LEU 6 1HD2 LEU 6 -3.394 10.304 -4.902 55 2HD2 LEU 6 2HD2 LEU 6 -2.165 11.362 -5.595 56 3HD2 LEU 6 3HD2 LEU 6 -2.152 11.009 -3.867 57 H LYS 7 H LYS 7 -2.581 6.627 -9.143 58 HA LYS 7 HA LYS 7 -1.500 4.403 -7.546 59 1HB LYS 7 2HB LYS 7 -3.092 4.111 -10.085 60 2HB LYS 7 1HB LYS 7 -2.785 2.901 -8.848 61 1HG LYS 7 2HG LYS 7 -4.756 3.404 -7.975 62 2HG LYS 7 1HG LYS 7 -4.090 4.974 -7.519 63 1HD LYS 7 2HD LYS 7 -6.060 5.434 -8.740 64 2HD LYS 7 1HD LYS 7 -4.721 5.766 -9.841 65 1HE LYS 7 2HE LYS 7 -5.187 3.147 -10.367 66 2HE LYS 7 1HE LYS 7 -6.812 3.702 -9.967 67 1HZ LYS 7 1HZ LYS 7 -5.996 3.861 -12.387 68 2HZ LYS 7 2HZ LYS 7 -5.151 5.228 -11.862 69 3HZ LYS 7 3HZ LYS 7 -6.836 5.174 -11.727 70 H GLY 8 H GLY 8 0.586 4.070 -7.961 71 1HA GLY 8 2HA GLY 8 1.532 4.427 -10.734 72 2HA GLY 8 1HA GLY 8 2.542 4.595 -9.306 73 H ILE 9 H ILE 9 2.338 2.765 -11.841 74 HA ILE 9 HA ILE 9 2.394 0.154 -10.546 75 HB ILE 9 HB ILE 9 2.080 1.116 -13.318 76 1HG1 ILE 9 2HG1 ILE 9 0.270 0.146 -11.898 77 2HG1 ILE 9 1HG1 ILE 9 0.487 -0.688 -13.434 78 1HG2 ILE 9 1HG2 ILE 9 3.652 -1.371 -12.703 79 2HG2 ILE 9 2HG2 ILE 9 4.073 -0.046 -13.787 80 3HG2 ILE 9 3HG2 ILE 9 2.772 -1.156 -14.216 81 1HD1 ILE 9 1HD1 ILE 9 0.166 -2.029 -11.225 82 2HD1 ILE 9 2HD1 ILE 9 1.889 -1.715 -11.019 83 3HD1 ILE 9 3HD1 ILE 9 1.315 -2.580 -12.444 84 H PHE 10 H PHE 10 4.224 -0.565 -9.706 85 HA PHE 10 HA PHE 10 6.766 0.597 -10.384 86 1HB PHE 10 2HB PHE 10 5.912 -1.594 -8.497 87 2HB PHE 10 1HB PHE 10 7.607 -1.213 -8.770 88 HD1 PHE 10 HD1 PHE 10 5.193 1.511 -8.849 89 HD2 PHE 10 HD2 PHE 10 7.839 -0.730 -6.381 90 HE1 PHE 10 HE1 PHE 10 5.070 3.266 -7.133 91 HE2 PHE 10 HE2 PHE 10 7.720 1.024 -4.661 92 HZ PHE 10 HZ PHE 10 6.334 3.023 -5.034 93 H THR 11 H THR 11 7.568 0.071 -12.338 94 HA THR 11 HA THR 11 7.274 -2.628 -13.366 95 HB THR 11 HB THR 11 8.710 -1.501 -15.277 96 HG1 THR 11 HG1 THR 11 9.205 0.442 -14.543 97 1HG2 THR 11 1HG2 THR 11 6.422 -0.199 -15.869 98 2HG2 THR 11 2HG2 THR 11 5.842 -1.379 -14.694 99 3HG2 THR 11 3HG2 THR 11 6.692 -1.920 -16.142 100 H LEU 12 H LEU 12 8.575 -4.082 -12.527 101 HA LEU 12 HA LEU 12 10.448 -5.163 -11.846 102 1HB LEU 12 2HB LEU 12 12.332 -3.515 -13.375 103 2HB LEU 12 1HB LEU 12 12.072 -5.247 -13.406 104 HG LEU 12 HG LEU 12 10.522 -3.149 -14.923 105 1HD1 LEU 12 1HD1 LEU 12 11.412 -4.196 -16.878 106 2HD1 LEU 12 2HD1 LEU 12 12.154 -5.475 -15.917 107 3HD1 LEU 12 3HD1 LEU 12 12.752 -3.820 -15.795 108 1HD2 LEU 12 1HD2 LEU 12 8.824 -4.556 -15.219 109 2HD2 LEU 12 2HD2 LEU 12 9.506 -5.542 -13.927 110 3HD2 LEU 12 3HD2 LEU 12 9.911 -5.890 -15.608 111 H LYS 13 H LYS 13 11.890 -5.064 -10.199 112 HA LYS 13 HA LYS 13 11.904 -2.986 -8.417 113 1HB LYS 13 2HB LYS 13 14.178 -3.955 -7.659 114 2HB LYS 13 1HB LYS 13 12.755 -4.983 -7.578 115 1HG LYS 13 2HG LYS 13 13.398 -6.125 -9.592 116 2HG LYS 13 1HG LYS 13 14.751 -5.017 -9.829 117 1HD LYS 13 2HD LYS 13 15.462 -7.176 -8.878 118 2HD LYS 13 1HD LYS 13 15.804 -5.822 -7.798 119 1HE LYS 13 2HE LYS 13 14.839 -7.875 -6.702 120 2HE LYS 13 1HE LYS 13 13.982 -6.368 -6.388 121 1HZ LYS 13 1HZ LYS 13 12.167 -7.074 -7.477 122 2HZ LYS 13 2HZ LYS 13 12.791 -8.617 -7.180 123 3HZ LYS 13 3HZ LYS 13 13.046 -7.878 -8.679 124 H ASP 14 H ASP 14 13.713 -3.260 -11.357 125 HA ASP 14 HA ASP 14 15.839 -1.541 -10.924 126 1HB ASP 14 2HB ASP 14 15.214 -2.947 -13.012 127 2HB ASP 14 1HB ASP 14 14.311 -1.520 -13.513 128 H LEU 15 H LEU 15 12.479 -0.769 -11.809 129 HA LEU 15 HA LEU 15 13.113 2.089 -11.572 130 1HB LEU 15 2HB LEU 15 11.157 0.516 -13.081 131 2HB LEU 15 1HB LEU 15 10.470 1.936 -12.317 132 HG LEU 15 HG LEU 15 11.908 3.400 -13.522 133 1HD1 LEU 15 1HD1 LEU 15 13.486 2.161 -15.260 134 2HD1 LEU 15 2HD1 LEU 15 13.479 0.931 -13.997 135 3HD1 LEU 15 3HD1 LEU 15 14.021 2.569 -13.630 136 1HD2 LEU 15 1HD2 LEU 15 10.879 1.209 -15.317 137 2HD2 LEU 15 2HD2 LEU 15 11.407 2.797 -15.874 138 3HD2 LEU 15 3HD2 LEU 15 10.014 2.658 -14.802 139 HA PRO 16 HA PRO 16 11.115 1.134 -7.487 140 1HB PRO 16 2HB PRO 16 12.682 2.772 -6.023 141 2HB PRO 16 1HB PRO 16 13.163 1.126 -6.453 142 1HG PRO 16 2HG PRO 16 13.926 3.722 -7.746 143 2HG PRO 16 1HG PRO 16 14.961 2.347 -7.311 144 1HD PRO 16 2HD PRO 16 14.079 2.733 -9.831 145 2HD PRO 16 1HD PRO 16 14.308 1.112 -9.145 146 H GLU 17 H GLU 17 9.773 2.692 -9.227 147 HA GLU 17 HA GLU 17 8.292 4.410 -9.364 148 1HB GLU 17 2HB GLU 17 8.166 3.621 -6.809 149 2HB GLU 17 1HB GLU 17 8.739 5.262 -6.555 150 1HG GLU 17 2HG GLU 17 6.380 4.736 -8.311 151 2HG GLU 17 1HG GLU 17 6.205 4.793 -6.557 152 H GLU 18 H GLU 18 10.532 5.745 -6.932 153 HA GLU 18 HA GLU 18 11.250 7.831 -8.865 154 1HB GLU 18 2HB GLU 18 9.568 8.510 -7.042 155 2HB GLU 18 1HB GLU 18 10.932 8.403 -5.937 156 1HG GLU 18 2HG GLU 18 11.637 9.953 -8.250 157 2HG GLU 18 1HG GLU 18 10.169 10.583 -7.506 158 H PHE 19 H PHE 19 12.171 5.997 -6.044 159 HA PHE 19 HA PHE 19 14.893 5.891 -6.829 160 1HB PHE 19 2HB PHE 19 14.473 8.263 -5.737 161 2HB PHE 19 1HB PHE 19 14.620 7.353 -4.237 162 HD1 PHE 19 HD1 PHE 19 16.399 7.486 -7.520 163 HD2 PHE 19 HD2 PHE 19 16.690 7.428 -3.275 164 HE1 PHE 19 HE1 PHE 19 18.850 7.616 -7.691 165 HE2 PHE 19 HE2 PHE 19 19.141 7.559 -3.438 166 HZ PHE 19 HZ PHE 19 20.224 7.653 -5.647 167 H ARG 20 H ARG 20 13.359 6.043 -3.610 168 HA ARG 20 HA ARG 20 14.053 3.203 -3.261 169 1HB ARG 20 2HB ARG 20 15.012 5.431 -1.799 170 2HB ARG 20 1HB ARG 20 13.922 4.554 -0.734 171 1HG ARG 20 2HG ARG 20 16.184 3.768 -0.444 172 2HG ARG 20 1HG ARG 20 15.190 2.494 -1.155 173 1HD ARG 20 2HD ARG 20 16.081 3.006 -3.360 174 2HD ARG 20 1HD ARG 20 17.032 4.328 -2.685 175 HE ARG 20 HE ARG 20 17.792 2.093 -1.283 176 1HH1 ARG 20 2HH1 ARG 20 17.767 3.053 -4.638 177 2HH1 ARG 20 1HH1 ARG 20 19.148 2.093 -5.052 178 1HH2 ARG 20 1HH2 ARG 20 19.603 0.825 -1.827 179 2HH2 ARG 20 2HH2 ARG 20 20.189 0.826 -3.457 180 HA PRO 21 HA PRO 21 9.656 3.221 -2.273 181 1HB PRO 21 2HB PRO 21 9.120 0.754 -3.143 182 2HB PRO 21 1HB PRO 21 9.454 2.070 -4.274 183 1HG PRO 21 2HG PRO 21 11.165 -0.214 -3.475 184 2HG PRO 21 1HG PRO 21 11.128 0.686 -4.999 185 1HD PRO 21 2HD PRO 21 12.939 1.023 -2.820 186 2HD PRO 21 1HD PRO 21 12.834 1.997 -4.297 187 H PHE 22 H PHE 22 8.222 1.518 -1.124 188 HA PHE 22 HA PHE 22 9.620 0.724 1.309 189 1HB PHE 22 2HB PHE 22 6.672 0.837 0.638 190 2HB PHE 22 1HB PHE 22 7.319 0.349 2.200 191 HD1 PHE 22 HD1 PHE 22 8.079 1.952 3.776 192 HD2 PHE 22 HD2 PHE 22 6.935 3.165 -0.140 193 HE1 PHE 22 HE1 PHE 22 8.101 4.302 4.501 194 HE2 PHE 22 HE2 PHE 22 6.957 5.519 0.578 195 HZ PHE 22 HZ PHE 22 7.540 6.089 2.902 196 H VAL 23 H VAL 23 8.035 -0.648 -1.465 197 HA VAL 23 HA VAL 23 7.738 -3.289 -0.420 198 HB VAL 23 HB VAL 23 7.473 -3.917 -2.860 199 1HG1 VAL 23 1HG1 VAL 23 5.743 -1.773 -1.643 200 2HG1 VAL 23 2HG1 VAL 23 5.526 -3.521 -1.541 201 3HG1 VAL 23 3HG1 VAL 23 5.300 -2.692 -3.081 202 1HG2 VAL 23 1HG2 VAL 23 7.235 -1.023 -3.491 203 2HG2 VAL 23 2HG2 VAL 23 7.619 -2.384 -4.545 204 3HG2 VAL 23 3HG2 VAL 23 8.848 -1.737 -3.458 205 H ASP 24 H ASP 24 10.427 -1.527 -1.521 206 HA ASP 24 HA ASP 24 11.997 -3.329 -2.872 207 1HB ASP 24 2HB ASP 24 13.936 -2.124 -1.995 208 2HB ASP 24 1HB ASP 24 12.654 -0.995 -2.421 209 H TYR 25 H TYR 25 11.358 -3.180 0.588 210 HA TYR 25 HA TYR 25 13.279 -5.039 1.425 211 1HB TYR 25 2HB TYR 25 12.142 -5.112 3.481 212 2HB TYR 25 1HB TYR 25 11.793 -3.506 2.857 213 HD1 TYR 25 HD1 TYR 25 9.615 -3.978 0.977 214 HD2 TYR 25 HD2 TYR 25 10.335 -5.737 4.783 215 HE1 TYR 25 HE1 TYR 25 7.207 -4.405 1.228 216 HE2 TYR 25 HE2 TYR 25 7.929 -6.172 5.044 217 HH TYR 25 HH TYR 25 5.728 -5.937 2.486 218 H LYS 26 H LYS 26 10.251 -5.440 -0.204 219 HA LYS 26 HA LYS 26 9.782 -8.156 0.437 220 1HB LYS 26 2HB LYS 26 8.388 -6.219 -0.894 221 2HB LYS 26 1HB LYS 26 8.904 -7.246 -2.224 222 1HG LYS 26 2HG LYS 26 7.904 -9.185 -1.078 223 2HG LYS 26 1HG LYS 26 7.328 -8.105 0.193 224 1HD LYS 26 2HD LYS 26 6.649 -7.449 -2.628 225 2HD LYS 26 1HD LYS 26 5.793 -8.782 -1.853 226 1HE LYS 26 2HE LYS 26 4.762 -7.413 -0.328 227 2HE LYS 26 1HE LYS 26 6.045 -6.205 -0.384 228 1HZ LYS 26 1HZ LYS 26 5.233 -5.757 -2.732 229 2HZ LYS 26 2HZ LYS 26 4.243 -5.227 -1.467 230 3HZ LYS 26 3HZ LYS 26 3.849 -6.637 -2.317 231 H ALA 27 H ALA 27 11.646 -6.544 -2.078 232 HA ALA 27 HA ALA 27 12.186 -8.838 -3.641 233 1HB ALA 27 1HB ALA 27 13.568 -6.183 -3.365 234 2HB ALA 27 2HB ALA 27 12.549 -6.762 -4.683 235 3HB ALA 27 3HB ALA 27 14.159 -7.443 -4.448 236 H GLY 28 H GLY 28 13.567 -7.576 -0.704 237 1HA GLY 28 2HA GLY 28 15.499 -9.815 -0.729 238 2HA GLY 28 1HA GLY 28 15.919 -8.228 -0.102 239 H LEU 29 H LEU 29 12.762 -9.624 0.421 240 HA LEU 29 HA LEU 29 13.098 -9.423 3.260 241 1HB LEU 29 2HB LEU 29 10.961 -9.175 1.659 242 2HB LEU 29 1HB LEU 29 10.756 -10.846 2.143 243 HG LEU 29 HG LEU 29 9.486 -9.242 3.546 244 1HD1 LEU 29 1HD1 LEU 29 10.454 -11.497 4.320 245 2HD1 LEU 29 2HD1 LEU 29 9.871 -10.368 5.542 246 3HD1 LEU 29 3HD1 LEU 29 11.601 -10.520 5.235 247 1HD2 LEU 29 1HD2 LEU 29 12.145 -8.387 4.657 248 2HD2 LEU 29 2HD2 LEU 29 10.548 -7.715 4.991 249 3HD2 LEU 29 3HD2 LEU 29 11.295 -7.471 3.411 250 H GLU 30 H GLU 30 13.764 -11.840 1.009 251 HA GLU 30 HA GLU 30 14.689 -13.662 2.920 252 1HB GLU 30 2HB GLU 30 13.032 -15.499 2.571 253 2HB GLU 30 1HB GLU 30 12.393 -14.124 3.461 254 1HG GLU 30 2HG GLU 30 11.706 -13.423 0.957 255 2HG GLU 30 1HG GLU 30 11.657 -15.180 0.817 256 H LYS 31 H LYS 31 15.785 -12.615 0.665 257 HA LYS 31 HA LYS 31 16.972 -13.176 -1.189 258 1HB LYS 31 2HB LYS 31 17.195 -15.315 0.441 259 2HB LYS 31 1HB LYS 31 16.424 -16.075 -0.944 260 1HG LYS 31 2HG LYS 31 18.258 -14.979 -2.343 261 2HG LYS 31 1HG LYS 31 19.078 -14.692 -0.806 262 1HD LYS 31 2HD LYS 31 19.974 -16.720 -1.472 263 2HD LYS 31 1HD LYS 31 18.661 -17.224 -0.406 264 1HE LYS 31 2HE LYS 31 17.290 -17.842 -2.201 265 2HE LYS 31 1HE LYS 31 18.256 -16.937 -3.365 266 1HZ LYS 31 1HZ LYS 31 18.533 -19.422 -3.384 267 2HZ LYS 31 2HZ LYS 31 19.320 -19.276 -1.894 268 3HZ LYS 31 3HZ LYS 31 19.965 -18.527 -3.267 269 H LYS 32 H LYS 32 14.414 -12.402 -1.674 270 HA LYS 32 HA LYS 32 12.908 -14.210 -3.247 271 1HB LYS 32 2HB LYS 32 12.061 -12.089 -2.170 272 2HB LYS 32 1HB LYS 32 12.870 -11.199 -3.452 273 1HG LYS 32 2HG LYS 32 10.475 -11.511 -3.882 274 2HG LYS 32 1HG LYS 32 11.485 -12.260 -5.120 275 1HD LYS 32 2HD LYS 32 10.871 -14.369 -4.537 276 2HD LYS 32 1HD LYS 32 10.699 -13.961 -2.828 277 1HE LYS 32 2HE LYS 32 8.769 -13.320 -5.053 278 2HE LYS 32 1HE LYS 32 8.532 -14.477 -3.744 279 1HZ LYS 32 1HZ LYS 32 8.292 -11.582 -3.726 280 2HZ LYS 32 2HZ LYS 32 9.015 -12.264 -2.357 281 3HZ LYS 32 3HZ LYS 32 7.461 -12.745 -2.820 282 H LYS 33 H LYS 33 15.810 -12.582 -3.885 283 HA LYS 33 HA LYS 33 17.153 -12.557 -5.722 284 1HB LYS 33 2HB LYS 33 15.828 -14.809 -6.131 285 2HB LYS 33 1HB LYS 33 15.096 -13.884 -7.436 286 1HG LYS 33 2HG LYS 33 17.014 -13.815 -8.651 287 2HG LYS 33 1HG LYS 33 18.051 -13.845 -7.225 288 1HD LYS 33 2HD LYS 33 18.430 -15.983 -7.792 289 2HD LYS 33 1HD LYS 33 16.840 -16.289 -7.089 290 1HE LYS 33 2HE LYS 33 16.334 -15.429 -9.696 291 2HE LYS 33 1HE LYS 33 17.719 -16.513 -9.831 292 1HZ LYS 33 1HZ LYS 33 15.315 -17.450 -9.910 293 2HZ LYS 33 2HZ LYS 33 15.400 -17.337 -8.225 294 3HZ LYS 33 3HZ LYS 33 16.517 -18.290 -9.065 295 H LEU 34 H LEU 34 17.344 -11.503 -7.835 296 HA LEU 34 HA LEU 34 15.679 -9.163 -7.940 297 1HB LEU 34 2HB LEU 34 17.970 -10.092 -9.670 298 2HB LEU 34 1HB LEU 34 17.151 -8.556 -9.879 299 HG LEU 34 HG LEU 34 19.258 -8.284 -8.676 300 1HD1 LEU 34 1HD1 LEU 34 17.539 -6.697 -8.179 301 2HD1 LEU 34 2HD1 LEU 34 18.371 -7.105 -6.679 302 3HD1 LEU 34 3HD1 LEU 34 16.788 -7.798 -7.025 303 1HD2 LEU 34 1HD2 LEU 34 19.125 -10.598 -7.629 304 2HD2 LEU 34 2HD2 LEU 34 18.078 -9.867 -6.412 305 3HD2 LEU 34 3HD2 LEU 34 19.734 -9.294 -6.611 306 H SER 35 H SER 35 13.626 -9.783 -8.566 307 HA SER 35 HA SER 35 13.268 -11.324 -10.998 308 1HB SER 35 2HB SER 35 10.772 -10.796 -10.409 309 2HB SER 35 1HB SER 35 11.673 -11.950 -9.426 310 HG SER 35 HG SER 35 11.549 -9.203 -8.770 311 H ASP 36 H ASP 36 14.136 -9.886 -12.538 312 HA ASP 36 HA ASP 36 13.406 -7.208 -12.860 313 1HB ASP 36 2HB ASP 36 14.173 -7.511 -15.222 314 2HB ASP 36 1HB ASP 36 15.324 -8.088 -14.019 315 H ASP 37 H ASP 37 11.636 -10.084 -13.503 316 HA ASP 37 HA ASP 37 9.773 -8.685 -15.273 317 1HB ASP 37 2HB ASP 37 10.748 -11.185 -15.473 318 2HB ASP 37 1HB ASP 37 9.292 -11.516 -14.541 319 H ASP 38 H ASP 38 10.143 -8.818 -12.069 320 HA ASP 38 HA ASP 38 7.406 -9.465 -11.345 321 1HB ASP 38 2HB ASP 38 9.942 -9.050 -9.918 322 2HB ASP 38 1HB ASP 38 8.530 -8.418 -9.080 323 H GLU 39 H GLU 39 6.049 -7.970 -10.169 324 HA GLU 39 HA GLU 39 6.653 -5.136 -10.481 325 1HB GLU 39 2HB GLU 39 4.249 -6.479 -11.719 326 2HB GLU 39 1HB GLU 39 4.399 -4.739 -11.512 327 1HG GLU 39 2HG GLU 39 6.184 -4.610 -13.042 328 2HG GLU 39 1HG GLU 39 6.412 -6.358 -13.039 329 H ILE 40 H ILE 40 5.156 -3.747 -9.307 330 HA ILE 40 HA ILE 40 3.430 -5.065 -7.361 331 HB ILE 40 HB ILE 40 5.586 -3.166 -6.439 332 1HG1 ILE 40 2HG1 ILE 40 5.473 -6.183 -6.193 333 2HG1 ILE 40 1HG1 ILE 40 6.581 -5.278 -7.220 334 1HG2 ILE 40 1HG2 ILE 40 4.866 -4.303 -4.211 335 2HG2 ILE 40 2HG2 ILE 40 3.393 -4.689 -5.099 336 3HG2 ILE 40 3HG2 ILE 40 3.883 -3.008 -4.891 337 1HD1 ILE 40 1HD1 ILE 40 6.486 -5.241 -4.215 338 2HD1 ILE 40 2HD1 ILE 40 7.548 -4.243 -5.207 339 3HD1 ILE 40 3HD1 ILE 40 7.713 -5.998 -5.229 340 H ALA 41 H ALA 41 1.572 -4.007 -7.427 341 HA ALA 41 HA ALA 41 1.452 -1.277 -8.386 342 1HB ALA 41 1HB ALA 41 -0.657 -3.290 -7.643 343 2HB ALA 41 2HB ALA 41 -0.228 -2.699 -9.249 344 3HB ALA 41 3HB ALA 41 -1.035 -1.629 -8.104 345 H ILE 42 H ILE 42 1.340 0.481 -7.155 346 HA ILE 42 HA ILE 42 0.788 0.139 -4.280 347 HB ILE 42 HB ILE 42 2.374 2.367 -5.557 348 1HG1 ILE 42 2HG1 ILE 42 3.495 0.177 -5.828 349 2HG1 ILE 42 1HG1 ILE 42 4.376 1.247 -4.742 350 1HG2 ILE 42 1HG2 ILE 42 1.740 3.260 -3.562 351 2HG2 ILE 42 2HG2 ILE 42 3.171 2.378 -3.030 352 3HG2 ILE 42 3HG2 ILE 42 1.567 1.687 -2.784 353 1HD1 ILE 42 1HD1 ILE 42 3.514 0.049 -2.825 354 2HD1 ILE 42 2HD1 ILE 42 4.315 -1.060 -3.938 355 3HD1 ILE 42 3HD1 ILE 42 2.554 -0.987 -3.881 356 H ILE 43 H ILE 43 -1.156 0.855 -3.718 357 HA ILE 43 HA ILE 43 -2.408 2.994 -5.285 358 HB ILE 43 HB ILE 43 -3.711 1.267 -3.181 359 1HG1 ILE 43 2HG1 ILE 43 -2.853 -0.142 -4.999 360 2HG1 ILE 43 1HG1 ILE 43 -4.612 -0.064 -5.042 361 1HG2 ILE 43 1HG2 ILE 43 -4.897 2.934 -5.396 362 2HG2 ILE 43 2HG2 ILE 43 -4.830 3.395 -3.695 363 3HG2 ILE 43 3HG2 ILE 43 -5.788 2.000 -4.194 364 1HD1 ILE 43 1HD1 ILE 43 -3.394 0.100 -7.253 365 2HD1 ILE 43 2HD1 ILE 43 -2.891 1.711 -6.740 366 3HD1 ILE 43 3HD1 ILE 43 -4.605 1.338 -6.921 367 H SER 44 H SER 44 -1.924 4.958 -4.528 368 HA SER 44 HA SER 44 -1.675 5.379 -1.646 369 1HB SER 44 2HB SER 44 0.127 6.392 -2.755 370 2HB SER 44 1HB SER 44 -0.891 6.986 -4.065 371 HG SER 44 HG SER 44 -0.272 8.150 -1.690 372 H ILE 45 H ILE 45 -3.518 5.779 -0.621 373 HA ILE 45 HA ILE 45 -5.204 7.958 -1.536 374 HB ILE 45 HB ILE 45 -7.287 6.688 -1.380 375 1HG1 ILE 45 2HG1 ILE 45 -5.609 4.181 -1.240 376 2HG1 ILE 45 1HG1 ILE 45 -6.302 4.940 0.190 377 1HG2 ILE 45 1HG2 ILE 45 -5.978 6.924 -3.532 378 2HG2 ILE 45 2HG2 ILE 45 -7.175 5.631 -3.483 379 3HG2 ILE 45 3HG2 ILE 45 -5.462 5.255 -3.290 380 1HD1 ILE 45 1HD1 ILE 45 -8.426 4.698 -1.584 381 2HD1 ILE 45 2HD1 ILE 45 -8.108 3.712 -0.157 382 3HD1 ILE 45 3HD1 ILE 45 -7.525 3.191 -1.738 383 H LYS 46 H LYS 46 -7.310 7.700 0.199 384 HA LYS 46 HA LYS 46 -6.436 8.776 2.549 385 1HB LYS 46 2HB LYS 46 -8.903 7.895 1.511 386 2HB LYS 46 1HB LYS 46 -8.759 7.162 3.102 387 1HG LYS 46 2HG LYS 46 -8.068 9.598 3.801 388 2HG LYS 46 1HG LYS 46 -8.963 10.026 2.342 389 1HD LYS 46 2HD LYS 46 -10.341 8.085 4.039 390 2HD LYS 46 1HD LYS 46 -10.056 9.637 4.828 391 1HE LYS 46 2HE LYS 46 -12.074 10.035 3.811 392 2HE LYS 46 1HE LYS 46 -10.960 10.605 2.569 393 1HZ LYS 46 1HZ LYS 46 -12.335 9.280 1.345 394 2HZ LYS 46 2HZ LYS 46 -12.624 8.192 2.607 395 3HZ LYS 46 3HZ LYS 46 -11.157 8.142 1.768 396 H GLY 47 H GLY 47 -7.848 5.512 2.640 397 1HA GLY 47 2HA GLY 47 -7.413 3.765 4.085 398 2HA GLY 47 1HA GLY 47 -5.775 3.973 3.484 399 H THR 48 H THR 48 -7.612 6.222 5.501 400 HA THR 48 HA THR 48 -7.102 7.204 7.491 401 HB THR 48 HB THR 48 -6.179 5.399 9.209 402 HG1 THR 48 HG1 THR 48 -7.361 3.758 7.231 403 1HG2 THR 48 1HG2 THR 48 -8.538 6.407 8.983 404 2HG2 THR 48 2HG2 THR 48 -8.335 4.880 9.840 405 3HG2 THR 48 3HG2 THR 48 -8.933 4.887 8.181 406 H GLN 49 H GLN 49 -5.214 7.876 5.783 407 HA GLN 49 HA GLN 49 -3.106 8.716 5.635 408 1HB GLN 49 2HB GLN 49 -3.616 9.306 8.060 409 2HB GLN 49 1HB GLN 49 -2.693 7.876 8.503 410 1HG GLN 49 2HG GLN 49 -0.737 8.814 7.334 411 2HG GLN 49 1HG GLN 49 -1.670 10.269 6.991 412 1HE2 GLN 49 1HE2 GLN 49 0.087 8.490 9.352 413 2HE2 GLN 49 2HE2 GLN 49 0.023 9.672 10.610 414 H SER 50 H SER 50 -3.023 6.638 4.290 415 HA SER 50 HA SER 50 -0.502 5.456 4.607 416 1HB SER 50 2HB SER 50 -2.039 4.297 6.420 417 2HB SER 50 1HB SER 50 -2.589 3.356 5.034 418 HG SER 50 HG SER 50 -0.647 2.461 4.843 419 H ASN 51 H ASN 51 -0.181 3.602 3.041 420 HA ASN 51 HA ASN 51 -1.977 3.928 0.726 421 1HB ASN 51 2HB ASN 51 0.091 3.409 -0.658 422 2HB ASN 51 1HB ASN 51 0.076 4.978 0.143 423 1HD2 ASN 51 1HD2 ASN 51 1.290 5.195 2.118 424 2HD2 ASN 51 2HD2 ASN 51 2.701 4.227 2.364 425 H HIS 52 H HIS 52 -2.687 2.122 -0.293 426 HA HIS 52 HA HIS 52 -2.161 -0.415 1.030 427 1HB HIS 52 2HB HIS 52 -4.078 0.169 -1.235 428 2HB HIS 52 1HB HIS 52 -4.055 -1.264 -0.212 429 HD1 HIS 52 HD1 HIS 52 -6.399 0.961 -0.599 430 HD2 HIS 52 HD2 HIS 52 -3.902 0.422 2.678 431 HE1 HIS 52 HE1 HIS 52 -7.624 1.968 1.354 432 HE2 HIS 52 HE2 HIS 52 -6.134 1.549 3.341 433 H VAL 53 H VAL 53 -0.834 -1.924 0.273 434 HA VAL 53 HA VAL 53 0.184 -1.628 -2.474 435 HB VAL 53 HB VAL 53 1.889 -1.422 -0.702 436 1HG1 VAL 53 1HG1 VAL 53 1.894 -4.275 -0.036 437 2HG1 VAL 53 2HG1 VAL 53 0.511 -3.380 0.597 438 3HG1 VAL 53 3HG1 VAL 53 2.151 -2.866 0.993 439 1HG2 VAL 53 1HG2 VAL 53 3.408 -2.361 -2.046 440 2HG2 VAL 53 2HG2 VAL 53 2.038 -2.874 -3.030 441 3HG2 VAL 53 3HG2 VAL 53 2.727 -3.974 -1.836 442 H LEU 54 H LEU 54 0.240 -3.372 -3.857 443 HA LEU 54 HA LEU 54 -0.794 -5.938 -2.905 444 1HB LEU 54 2HB LEU 54 -2.032 -4.206 -5.013 445 2HB LEU 54 1HB LEU 54 -2.184 -5.951 -5.108 446 HG LEU 54 HG LEU 54 -2.919 -4.709 -2.522 447 1HD1 LEU 54 1HD1 LEU 54 -4.624 -4.430 -4.992 448 2HD1 LEU 54 2HD1 LEU 54 -3.891 -3.115 -4.071 449 3HD1 LEU 54 3HD1 LEU 54 -5.152 -4.109 -3.340 450 1HD2 LEU 54 1HD2 LEU 54 -3.399 -6.915 -2.416 451 2HD2 LEU 54 2HD2 LEU 54 -3.603 -7.067 -4.161 452 3HD2 LEU 54 3HD2 LEU 54 -4.900 -6.389 -3.178 453 H PHE 55 H PHE 55 0.528 -7.487 -3.562 454 HA PHE 55 HA PHE 55 2.513 -7.007 -5.572 455 1HB PHE 55 2HB PHE 55 2.635 -8.499 -3.423 456 2HB PHE 55 1HB PHE 55 1.932 -9.731 -4.465 457 HD1 PHE 55 HD1 PHE 55 3.190 -10.683 -6.292 458 HD2 PHE 55 HD2 PHE 55 4.882 -7.685 -3.791 459 HE1 PHE 55 HE1 PHE 55 5.424 -11.214 -7.174 460 HE2 PHE 55 HE2 PHE 55 7.120 -8.211 -4.668 461 HZ PHE 55 HZ PHE 55 7.393 -9.977 -6.362 462 H LEU 56 H LEU 56 2.563 -7.649 -7.651 463 HA LEU 56 HA LEU 56 0.140 -8.906 -8.713 464 1HB LEU 56 2HB LEU 56 2.315 -7.235 -9.930 465 2HB LEU 56 1HB LEU 56 1.259 -8.203 -10.940 466 HG LEU 56 HG LEU 56 -0.684 -6.980 -10.174 467 1HD1 LEU 56 1HD1 LEU 56 1.264 -5.821 -8.235 468 2HD1 LEU 56 2HD1 LEU 56 -0.375 -6.416 -7.966 469 3HD1 LEU 56 3HD1 LEU 56 -0.120 -4.860 -8.758 470 1HD2 LEU 56 1HD2 LEU 56 -0.290 -4.956 -11.285 471 2HD2 LEU 56 2HD2 LEU 56 0.858 -6.086 -12.002 472 3HD2 LEU 56 3HD2 LEU 56 1.405 -4.917 -10.801 473 H SER 57 H SER 57 0.245 -11.051 -8.824 474 HA SER 57 HA SER 57 2.803 -12.351 -9.386 475 1HB SER 57 2HB SER 57 1.379 -13.121 -7.467 476 2HB SER 57 1HB SER 57 0.171 -13.644 -8.641 477 HG SER 57 HG SER 57 1.318 -15.359 -8.999 478 H SER 58 H SER 58 -0.473 -12.068 -10.667 479 HA SER 58 HA SER 58 0.525 -13.001 -13.256 480 1HB SER 58 2HB SER 58 -1.682 -14.224 -11.657 481 2HB SER 58 1HB SER 58 -1.854 -14.160 -13.411 482 HG SER 58 HG SER 58 -0.766 -16.070 -12.405 483 H TYR 59 H TYR 59 -0.068 -10.366 -12.270 484 HA TYR 59 HA TYR 59 -2.616 -9.488 -13.139 485 1HB TYR 59 2HB TYR 59 -0.660 -8.347 -11.679 486 2HB TYR 59 1HB TYR 59 -0.349 -7.576 -13.230 487 HD1 TYR 59 HD1 TYR 59 -3.322 -8.404 -11.109 488 HD2 TYR 59 HD2 TYR 59 -1.343 -5.524 -13.534 489 HE1 TYR 59 HE1 TYR 59 -5.129 -6.797 -10.663 490 HE2 TYR 59 HE2 TYR 59 -3.143 -3.907 -13.093 491 HH TYR 59 HH TYR 59 -4.880 -3.471 -11.514 492 H ASN 60 H ASN 60 -2.322 -7.408 -14.800 493 HA ASN 60 HA ASN 60 -2.440 -6.919 -17.012 494 1HB ASN 60 2HB ASN 60 -0.350 -6.938 -18.190 495 2HB ASN 60 1HB ASN 60 -0.018 -6.575 -16.501 496 1HD2 ASN 60 1HD2 ASN 60 0.326 -8.874 -19.064 497 2HD2 ASN 60 2HD2 ASN 60 1.457 -9.907 -18.267 498 H SER 61 H SER 61 -3.886 -7.933 -18.215 499 HA SER 61 HA SER 61 -3.209 -10.037 -19.940 500 1HB SER 61 2HB SER 61 -3.607 -11.068 -17.465 501 2HB SER 61 1HB SER 61 -5.251 -11.132 -18.099 502 HG SER 61 HG SER 61 -2.927 -12.258 -19.279 503 H VAL 62 H VAL 62 -5.989 -8.814 -18.081 504 HA VAL 62 HA VAL 62 -7.289 -8.051 -20.572 505 HB VAL 62 HB VAL 62 -9.472 -9.040 -19.695 506 1HG1 VAL 62 1HG1 VAL 62 -8.518 -9.976 -21.641 507 2HG1 VAL 62 2HG1 VAL 62 -8.877 -11.336 -20.576 508 3HG1 VAL 62 3HG1 VAL 62 -7.222 -10.745 -20.726 509 1HG2 VAL 62 1HG2 VAL 62 -9.355 -10.893 -18.184 510 2HG2 VAL 62 2HG2 VAL 62 -8.567 -9.514 -17.420 511 3HG2 VAL 62 3HG2 VAL 62 -7.594 -10.802 -18.130 512 H ASP 63 H ASP 63 -9.665 -7.160 -19.762 513 HA ASP 63 HA ASP 63 -8.950 -4.930 -18.067 514 1HB ASP 63 2HB ASP 63 -11.336 -5.637 -19.744 515 2HB ASP 63 1HB ASP 63 -11.460 -4.359 -18.538 516 H GLU 64 H GLU 64 -9.825 -7.985 -17.377 517 HA GLU 64 HA GLU 64 -11.784 -7.449 -15.324 518 1HB GLU 64 2HB GLU 64 -11.251 -9.640 -16.852 519 2HB GLU 64 1HB GLU 64 -10.438 -10.072 -15.353 520 1HG GLU 64 2HG GLU 64 -12.435 -9.959 -14.116 521 2HG GLU 64 1HG GLU 64 -13.285 -9.129 -15.419 522 H ILE 65 H ILE 65 -8.324 -7.972 -15.573 523 HA ILE 65 HA ILE 65 -8.025 -8.291 -12.715 524 HB ILE 65 HB ILE 65 -5.878 -8.891 -13.062 525 1HG1 ILE 65 2HG1 ILE 65 -5.054 -6.674 -13.663 526 2HG1 ILE 65 1HG1 ILE 65 -4.330 -7.895 -14.703 527 1HG2 ILE 65 1HG2 ILE 65 -5.729 -10.281 -14.857 528 2HG2 ILE 65 2HG2 ILE 65 -6.364 -9.081 -15.983 529 3HG2 ILE 65 3HG2 ILE 65 -7.457 -9.931 -14.891 530 1HD1 ILE 65 1HD1 ILE 65 -6.753 -6.811 -15.834 531 2HD1 ILE 65 2HD1 ILE 65 -5.137 -6.935 -16.526 532 3HD1 ILE 65 3HD1 ILE 65 -5.556 -5.562 -15.501 533 H ARG 66 H ARG 66 -8.025 -5.687 -14.988 534 HA ARG 66 HA ARG 66 -6.680 -3.821 -13.265 535 1HB ARG 66 2HB ARG 66 -6.946 -2.249 -14.962 536 2HB ARG 66 1HB ARG 66 -6.853 -3.760 -15.851 537 1HG ARG 66 2HG ARG 66 -8.636 -2.855 -16.906 538 2HG ARG 66 1HG ARG 66 -9.496 -3.629 -15.574 539 1HD ARG 66 2HD ARG 66 -10.006 -1.659 -14.581 540 2HD ARG 66 1HD ARG 66 -8.486 -0.906 -15.061 541 HE ARG 66 HE ARG 66 -10.360 -1.361 -17.214 542 1HH1 ARG 66 2HH1 ARG 66 -9.221 0.871 -14.780 543 2HH1 ARG 66 1HH1 ARG 66 -9.832 2.268 -15.600 544 1HH2 ARG 66 1HH2 ARG 66 -11.166 0.477 -18.288 545 2HH2 ARG 66 2HH2 ARG 66 -10.938 2.045 -17.589 546 H LYS 67 H LYS 67 -9.994 -4.715 -14.006 547 HA LYS 67 HA LYS 67 -11.260 -2.575 -12.659 548 1HB LYS 67 2HB LYS 67 -12.080 -4.788 -14.149 549 2HB LYS 67 1HB LYS 67 -12.757 -5.067 -12.550 550 1HG LYS 67 2HG LYS 67 -13.145 -2.589 -14.216 551 2HG LYS 67 1HG LYS 67 -14.321 -3.888 -13.996 552 1HD LYS 67 2HD LYS 67 -13.225 -2.633 -11.546 553 2HD LYS 67 1HD LYS 67 -14.328 -1.659 -12.520 554 1HE LYS 67 2HE LYS 67 -15.955 -2.694 -11.383 555 2HE LYS 67 1HE LYS 67 -15.613 -4.071 -12.429 556 1HZ LYS 67 1HZ LYS 67 -15.396 -5.073 -10.427 557 2HZ LYS 67 2HZ LYS 67 -14.940 -3.659 -9.620 558 3HZ LYS 67 3HZ LYS 67 -13.811 -4.496 -10.561 559 H GLU 68 H GLU 68 -9.941 -5.641 -11.623 560 HA GLU 68 HA GLU 68 -11.115 -5.761 -9.065 561 1HB GLU 68 2HB GLU 68 -8.850 -7.066 -10.448 562 2HB GLU 68 1HB GLU 68 -8.753 -7.040 -8.693 563 1HG GLU 68 2HG GLU 68 -11.384 -7.822 -9.537 564 2HG GLU 68 1HG GLU 68 -10.161 -8.837 -10.299 565 H LEU 69 H LEU 69 -7.887 -4.619 -10.076 566 HA LEU 69 HA LEU 69 -7.100 -3.677 -7.548 567 1HB LEU 69 2HB LEU 69 -5.526 -4.041 -9.389 568 2HB LEU 69 1HB LEU 69 -6.258 -2.726 -10.288 569 HG LEU 69 HG LEU 69 -5.588 -1.281 -8.223 570 1HD1 LEU 69 1HD1 LEU 69 -4.904 -3.391 -6.962 571 2HD1 LEU 69 2HD1 LEU 69 -3.791 -2.024 -6.923 572 3HD1 LEU 69 3HD1 LEU 69 -3.469 -3.392 -7.988 573 1HD2 LEU 69 1HD2 LEU 69 -4.630 -0.801 -10.312 574 2HD2 LEU 69 2HD2 LEU 69 -3.737 -2.321 -10.347 575 3HD2 LEU 69 3HD2 LEU 69 -3.261 -1.044 -9.227 576 H GLU 70 H GLU 70 -8.588 -1.978 -10.294 577 HA GLU 70 HA GLU 70 -8.674 0.574 -9.165 578 1HB GLU 70 2HB GLU 70 -9.283 -0.289 -11.568 579 2HB GLU 70 1HB GLU 70 -10.908 -0.405 -10.906 580 1HG GLU 70 2HG GLU 70 -10.689 2.005 -10.231 581 2HG GLU 70 1HG GLU 70 -9.202 2.052 -11.178 582 H GLU 71 H GLU 71 -10.743 -2.211 -8.738 583 HA GLU 71 HA GLU 71 -12.887 -0.902 -7.436 584 1HB GLU 71 2HB GLU 71 -12.994 -3.194 -8.423 585 2HB GLU 71 1HB GLU 71 -11.989 -3.769 -7.101 586 1HG GLU 71 2HG GLU 71 -13.809 -2.812 -5.568 587 2HG GLU 71 1HG GLU 71 -14.809 -2.771 -7.019 588 H ALA 72 H ALA 72 -9.898 -2.386 -6.292 589 HA ALA 72 HA ALA 72 -10.541 -1.975 -3.515 590 1HB ALA 72 1HB ALA 72 -8.739 -3.253 -3.067 591 2HB ALA 72 2HB ALA 72 -7.731 -2.444 -4.267 592 3HB ALA 72 3HB ALA 72 -8.880 -3.683 -4.772 593 H GLY 73 H GLY 73 -9.605 0.100 -5.941 594 1HA GLY 73 2HA GLY 73 -7.787 1.722 -4.380 595 2HA GLY 73 1HA GLY 73 -8.386 2.080 -5.990 596 H ALA 74 H ALA 74 -10.874 2.531 -5.985 597 HA ALA 74 HA ALA 74 -11.387 4.407 -3.774 598 1HB ALA 74 1HB ALA 74 -11.035 5.397 -6.048 599 2HB ALA 74 2HB ALA 74 -12.566 5.819 -5.282 600 3HB ALA 74 3HB ALA 74 -12.522 4.596 -6.553 601 H LYS 75 H LYS 75 -12.502 1.607 -5.324 602 HA LYS 75 HA LYS 75 -15.213 1.929 -4.265 603 1HB LYS 75 2HB LYS 75 -14.173 -0.292 -6.027 604 2HB LYS 75 1HB LYS 75 -15.852 0.100 -5.686 605 1HG LYS 75 2HG LYS 75 -15.886 1.856 -7.135 606 2HG LYS 75 1HG LYS 75 -14.168 2.201 -6.931 607 1HD LYS 75 2HD LYS 75 -13.530 0.638 -8.484 608 2HD LYS 75 1HD LYS 75 -14.962 -0.361 -8.224 609 1HE LYS 75 2HE LYS 75 -15.386 0.543 -10.305 610 2HE LYS 75 1HE LYS 75 -16.233 1.667 -9.241 611 1HZ LYS 75 1HZ LYS 75 -15.080 3.175 -10.424 612 2HZ LYS 75 2HZ LYS 75 -13.867 2.087 -10.874 613 3HZ LYS 75 3HZ LYS 75 -13.832 2.803 -9.343 614 H ILE 76 H ILE 76 -15.732 -0.905 -4.054 615 HA ILE 76 HA ILE 76 -15.351 -1.417 -1.415 616 HB ILE 76 HB ILE 76 -15.289 -3.544 -3.557 617 1HG1 ILE 76 2HG1 ILE 76 -17.832 -3.030 -2.203 618 2HG1 ILE 76 1HG1 ILE 76 -17.269 -1.655 -3.147 619 1HG2 ILE 76 1HG2 ILE 76 -14.907 -4.816 -1.738 620 2HG2 ILE 76 2HG2 ILE 76 -16.643 -4.625 -1.495 621 3HG2 ILE 76 3HG2 ILE 76 -15.511 -3.592 -0.621 622 1HD1 ILE 76 1HD1 ILE 76 -17.182 -4.309 -4.445 623 2HD1 ILE 76 2HD1 ILE 76 -17.551 -2.722 -5.121 624 3HD1 ILE 76 3HD1 ILE 76 -18.767 -3.583 -4.176 625 H ASN 77 H ASN 77 -13.688 -1.830 -0.117 626 HA ASN 77 HA ASN 77 -11.089 -2.447 -1.321 627 1HB ASN 77 2HB ASN 77 -10.222 -1.815 0.978 628 2HB ASN 77 1HB ASN 77 -10.988 -0.518 0.067 629 1HD2 ASN 77 1HD2 ASN 77 -13.064 0.180 0.673 630 2HD2 ASN 77 2HD2 ASN 77 -13.678 -0.109 2.262 631 H HIS 78 H HIS 78 -9.680 -3.644 0.563 632 HA HIS 78 HA HIS 78 -10.529 -6.321 0.487 633 1HB HIS 78 2HB HIS 78 -8.534 -5.293 2.492 634 2HB HIS 78 1HB HIS 78 -8.563 -6.849 1.670 635 HD1 HIS 78 HD1 HIS 78 -8.126 -6.628 -1.047 636 HD2 HIS 78 HD2 HIS 78 -6.838 -3.507 1.376 637 HE1 HIS 78 HE1 HIS 78 -6.439 -5.365 -2.418 638 HE2 HIS 78 HE2 HIS 78 -5.744 -3.425 -0.966 639 H THR 79 H THR 79 -10.195 -4.187 3.329 640 HA THR 79 HA THR 79 -11.095 -4.312 5.422 641 HB THR 79 HB THR 79 -12.973 -3.423 4.053 642 HG1 THR 79 HG1 THR 79 -13.884 -3.322 5.921 643 1HG2 THR 79 1HG2 THR 79 -13.595 -5.185 2.621 644 2HG2 THR 79 2HG2 THR 79 -14.936 -4.961 3.744 645 3HG2 THR 79 3HG2 THR 79 -13.812 -6.302 3.969 646 H THR 80 H THR 80 -9.884 -6.772 4.463 647 HA THR 80 HA THR 80 -10.467 -8.490 6.547 648 HB THR 80 HB THR 80 -12.625 -8.960 5.688 649 HG1 THR 80 HG1 THR 80 -10.996 -11.040 4.673 650 1HG2 THR 80 1HG2 THR 80 -11.328 -8.819 3.057 651 2HG2 THR 80 2HG2 THR 80 -12.961 -8.373 3.551 652 3HG2 THR 80 3HG2 THR 80 -12.564 -10.064 3.241 653 H LEU 81 H LEU 81 -9.340 -8.072 3.276 654 HA LEU 81 HA LEU 81 -7.404 -8.738 2.273 655 1HB LEU 81 2HB LEU 81 -6.709 -10.343 4.719 656 2HB LEU 81 1HB LEU 81 -5.624 -9.687 3.509 657 HG LEU 81 HG LEU 81 -7.251 -7.831 5.204 658 1HD1 LEU 81 1HD1 LEU 81 -6.317 -8.826 7.006 659 2HD1 LEU 81 2HD1 LEU 81 -4.933 -7.840 6.536 660 3HD1 LEU 81 3HD1 LEU 81 -5.004 -9.540 6.071 661 1HD2 LEU 81 1HD2 LEU 81 -6.069 -6.874 3.332 662 2HD2 LEU 81 2HD2 LEU 81 -4.570 -7.653 3.836 663 3HD2 LEU 81 3HD2 LEU 81 -5.281 -6.383 4.831 664 H LYS 82 H LYS 82 -9.966 -10.294 2.417 665 HA LYS 82 HA LYS 82 -9.236 -13.056 2.222 666 1HB LYS 82 2HB LYS 82 -11.578 -11.798 2.691 667 2HB LYS 82 1HB LYS 82 -11.758 -12.130 0.974 668 1HG LYS 82 2HG LYS 82 -10.891 -14.339 2.766 669 2HG LYS 82 1HG LYS 82 -12.582 -13.835 2.788 670 1HD LYS 82 2HD LYS 82 -12.957 -14.528 0.634 671 2HD LYS 82 1HD LYS 82 -11.273 -14.308 0.156 672 1HE LYS 82 2HE LYS 82 -11.946 -16.684 0.260 673 2HE LYS 82 1HE LYS 82 -10.624 -16.292 1.359 674 1HZ LYS 82 1HZ LYS 82 -12.234 -17.684 2.457 675 2HZ LYS 82 2HZ LYS 82 -13.483 -16.602 2.100 676 3HZ LYS 82 3HZ LYS 82 -12.251 -16.147 3.165 677 H ILE 83 H ILE 83 -9.525 -10.379 0.014 678 HA ILE 83 HA ILE 83 -9.737 -11.758 -2.409 679 HB ILE 83 HB ILE 83 -8.211 -9.190 -1.943 680 1HG1 ILE 83 2HG1 ILE 83 -11.140 -9.605 -2.589 681 2HG1 ILE 83 1HG1 ILE 83 -10.500 -9.060 -1.042 682 1HG2 ILE 83 1HG2 ILE 83 -9.311 -8.944 -4.386 683 2HG2 ILE 83 2HG2 ILE 83 -9.052 -10.687 -4.340 684 3HG2 ILE 83 3HG2 ILE 83 -7.693 -9.588 -4.104 685 1HD1 ILE 83 1HD1 ILE 83 -11.311 -7.482 -3.172 686 2HD1 ILE 83 2HD1 ILE 83 -9.549 -7.404 -3.197 687 3HD1 ILE 83 3HD1 ILE 83 -10.431 -6.960 -1.736 688 H LEU 84 H LEU 84 -6.776 -10.443 -0.905 689 HA LEU 84 HA LEU 84 -4.970 -11.643 -2.637 690 1HB LEU 84 2HB LEU 84 -3.360 -11.478 -0.659 691 2HB LEU 84 1HB LEU 84 -4.075 -9.991 -1.258 692 HG LEU 84 HG LEU 84 -5.834 -10.909 0.691 693 1HD1 LEU 84 1HD1 LEU 84 -4.369 -11.090 2.681 694 2HD1 LEU 84 2HD1 LEU 84 -2.976 -11.171 1.602 695 3HD1 LEU 84 3HD1 LEU 84 -4.199 -12.441 1.559 696 1HD2 LEU 84 1HD2 LEU 84 -5.684 -8.654 0.672 697 2HD2 LEU 84 2HD2 LEU 84 -3.957 -8.664 0.319 698 3HD2 LEU 84 3HD2 LEU 84 -4.522 -8.945 1.966 699 H GLU 85 H GLU 85 -6.574 -12.882 0.217 700 HA GLU 85 HA GLU 85 -5.063 -15.268 0.456 701 1HB GLU 85 2HB GLU 85 -6.681 -14.171 2.154 702 2HB GLU 85 1HB GLU 85 -7.947 -15.018 1.275 703 1HG GLU 85 2HG GLU 85 -7.425 -16.989 2.180 704 2HG GLU 85 1HG GLU 85 -5.691 -16.717 2.012 705 H GLY 86 H GLY 86 -7.686 -14.265 -1.589 706 1HA GLY 86 2HA GLY 86 -8.562 -16.874 -2.345 707 2HA GLY 86 1HA GLY 86 -8.918 -15.372 -3.186 708 H HIS 87 H HIS 87 -6.105 -14.663 -3.548 709 HA HIS 87 HA HIS 87 -4.783 -16.749 -4.953 710 1HB HIS 87 2HB HIS 87 -5.034 -15.888 -7.237 711 2HB HIS 87 1HB HIS 87 -6.587 -16.377 -6.568 712 HD1 HIS 87 HD1 HIS 87 -6.151 -14.278 -8.914 713 HD2 HIS 87 HD2 HIS 87 -6.933 -13.388 -4.930 714 HE1 HIS 87 HE1 HIS 87 -7.155 -11.973 -8.925 715 HE2 HIS 87 HE2 HIS 87 -7.573 -11.434 -6.499 716 H LEU 88 HN LEU 88 -3.359 -15.677 -3.323 717 HA LEU 88 HA LEU 88 -1.463 -14.034 -4.650 718 1HB LEU 88 2HB LEU 88 -3.546 -12.620 -3.479 719 2HB LEU 88 1HB LEU 88 -2.262 -12.527 -2.291 720 HG LEU 88 HG LEU 88 -2.093 -10.598 -3.673 721 1HD1 LEU 88 1HD1 LEU 88 -0.028 -12.684 -4.309 722 2HD1 LEU 88 2HD1 LEU 88 0.054 -11.382 -3.122 723 3HD1 LEU 88 3HD1 LEU 88 0.117 -11.010 -4.845 724 1HD2 LEU 88 1HD2 LEU 88 -1.854 -12.320 -6.121 725 2HD2 LEU 88 2HD2 LEU 88 -2.108 -10.577 -6.018 726 3HD2 LEU 88 3HD2 LEU 88 -3.404 -11.686 -5.566 Start of MODEL 13 1 1H LEU 1 1H LEU 1 -10.829 15.647 -8.526 2 2H LEU 1 2H LEU 1 -12.378 15.629 -7.785 3 3H LEU 1 3H LEU 1 -11.171 14.518 -7.282 4 HA LEU 1 HA LEU 1 -9.816 16.568 -6.741 5 1HB LEU 1 2HB LEU 1 -12.639 17.636 -6.866 6 2HB LEU 1 1HB LEU 1 -11.310 18.463 -6.077 7 HG LEU 1 HG LEU 1 -11.574 19.490 -8.192 8 1HD1 LEU 1 1HD1 LEU 1 -9.307 17.521 -8.456 9 2HD1 LEU 1 2HD1 LEU 1 -9.251 19.026 -7.536 10 3HD1 LEU 1 3HD1 LEU 1 -9.459 19.070 -9.287 11 1HD2 LEU 1 1HD2 LEU 1 -12.213 18.476 -10.093 12 2HD2 LEU 1 2HD2 LEU 1 -12.691 17.164 -9.016 13 3HD2 LEU 1 3HD2 LEU 1 -11.136 17.102 -9.846 14 H PHE 2 H PHE 2 -10.310 17.581 -4.438 15 HA PHE 2 HA PHE 2 -10.689 17.237 -2.222 16 1HB PHE 2 2HB PHE 2 -13.068 16.618 -3.335 17 2HB PHE 2 1HB PHE 2 -12.665 15.065 -2.614 18 HD1 PHE 2 HD1 PHE 2 -14.271 18.095 -2.066 19 HD2 PHE 2 HD2 PHE 2 -11.764 15.266 -0.112 20 HE1 PHE 2 HE1 PHE 2 -15.059 18.912 0.117 21 HE2 PHE 2 HE2 PHE 2 -12.547 16.077 2.075 22 HZ PHE 2 HZ PHE 2 -14.196 17.903 2.192 23 H ILE 3 H ILE 3 -11.310 13.988 -3.561 24 HA ILE 3 HA ILE 3 -9.671 12.738 -1.583 25 HB ILE 3 HB ILE 3 -10.856 11.603 -4.123 26 1HG1 ILE 3 2HG1 ILE 3 -12.335 10.483 -2.260 27 2HG1 ILE 3 1HG1 ILE 3 -11.823 11.868 -1.300 28 1HG2 ILE 3 1HG2 ILE 3 -10.529 9.410 -2.873 29 2HG2 ILE 3 2HG2 ILE 3 -9.420 10.299 -1.829 30 3HG2 ILE 3 3HG2 ILE 3 -9.089 10.164 -3.556 31 1HD1 ILE 3 1HD1 ILE 3 -13.261 13.206 -2.323 32 2HD1 ILE 3 2HD1 ILE 3 -13.970 11.754 -3.029 33 3HD1 ILE 3 3HD1 ILE 3 -12.749 12.662 -3.920 34 H ALA 4 H ALA 4 -7.529 12.857 -1.598 35 HA ALA 4 HA ALA 4 -6.078 13.258 -4.080 36 1HB ALA 4 1HB ALA 4 -5.678 14.255 -1.617 37 2HB ALA 4 2HB ALA 4 -4.402 14.101 -2.824 38 3HB ALA 4 3HB ALA 4 -4.581 12.875 -1.568 39 H THR 5 H THR 5 -6.156 11.337 -5.196 40 HA THR 5 HA THR 5 -4.826 9.046 -3.901 41 HB THR 5 HB THR 5 -6.185 7.806 -5.837 42 HG1 THR 5 HG1 THR 5 -7.250 9.546 -6.672 43 1HG2 THR 5 1HG2 THR 5 -8.127 7.573 -4.193 44 2HG2 THR 5 2HG2 THR 5 -7.155 8.577 -3.116 45 3HG2 THR 5 3HG2 THR 5 -6.530 7.027 -3.677 46 H LEU 6 H LEU 6 -3.589 7.659 -5.325 47 HA LEU 6 HA LEU 6 -2.855 8.721 -7.925 48 1HB LEU 6 2HB LEU 6 -1.411 9.704 -5.943 49 2HB LEU 6 1HB LEU 6 -0.593 8.158 -6.062 50 HG LEU 6 HG LEU 6 -0.160 8.643 -8.478 51 1HD1 LEU 6 1HD1 LEU 6 -0.625 11.517 -8.072 52 2HD1 LEU 6 2HD1 LEU 6 -2.075 10.531 -8.252 53 3HD1 LEU 6 3HD1 LEU 6 -0.841 10.520 -9.511 54 1HD2 LEU 6 1HD2 LEU 6 0.960 10.161 -6.196 55 2HD2 LEU 6 2HD2 LEU 6 1.408 10.694 -7.816 56 3HD2 LEU 6 3HD2 LEU 6 1.743 9.038 -7.309 57 H LYS 7 H LYS 7 -2.006 7.186 -9.300 58 HA LYS 7 HA LYS 7 -1.946 4.442 -8.235 59 1HB LYS 7 2HB LYS 7 -2.738 5.504 -10.943 60 2HB LYS 7 1HB LYS 7 -2.413 3.799 -10.656 61 1HG LYS 7 2HG LYS 7 -4.327 3.486 -9.480 62 2HG LYS 7 1HG LYS 7 -4.339 5.132 -8.846 63 1HD LYS 7 2HD LYS 7 -4.832 5.832 -11.276 64 2HD LYS 7 1HD LYS 7 -5.250 4.136 -11.524 65 1HE LYS 7 2HE LYS 7 -7.178 4.323 -10.389 66 2HE LYS 7 1HE LYS 7 -6.453 5.330 -9.137 67 1HZ LYS 7 1HZ LYS 7 -6.478 7.041 -11.156 68 2HZ LYS 7 2HZ LYS 7 -7.771 6.879 -10.079 69 3HZ LYS 7 3HZ LYS 7 -7.822 6.107 -11.583 70 H GLY 8 H GLY 8 0.328 4.958 -7.663 71 1HA GLY 8 2HA GLY 8 2.265 5.441 -9.685 72 2HA GLY 8 1HA GLY 8 2.592 4.855 -8.060 73 H ILE 9 H ILE 9 3.804 4.030 -10.587 74 HA ILE 9 HA ILE 9 3.162 1.167 -10.408 75 HB ILE 9 HB ILE 9 3.811 2.566 -13.002 76 1HG1 ILE 9 2HG1 ILE 9 1.126 1.402 -12.321 77 2HG1 ILE 9 1HG1 ILE 9 1.519 3.055 -11.860 78 1HG2 ILE 9 1HG2 ILE 9 2.529 -0.088 -12.943 79 2HG2 ILE 9 2HG2 ILE 9 4.203 -0.024 -12.391 80 3HG2 ILE 9 3HG2 ILE 9 3.785 0.546 -14.007 81 1HD1 ILE 9 1HD1 ILE 9 0.488 2.190 -14.282 82 2HD1 ILE 9 2HD1 ILE 9 2.177 2.566 -14.621 83 3HD1 ILE 9 3HD1 ILE 9 1.128 3.791 -13.909 84 H PHE 10 H PHE 10 4.930 0.505 -9.310 85 HA PHE 10 HA PHE 10 7.583 1.358 -10.228 86 1HB PHE 10 2HB PHE 10 7.240 -0.436 -7.869 87 2HB PHE 10 1HB PHE 10 8.408 0.851 -8.135 88 HD1 PHE 10 HD1 PHE 10 6.173 2.914 -8.918 89 HD2 PHE 10 HD2 PHE 10 6.750 0.264 -5.639 90 HE1 PHE 10 HE1 PHE 10 4.815 4.390 -7.491 91 HE2 PHE 10 HE2 PHE 10 5.393 1.734 -4.207 92 HZ PHE 10 HZ PHE 10 4.422 3.799 -5.132 93 H THR 11 H THR 11 8.158 0.146 -11.953 94 HA THR 11 HA THR 11 7.679 -2.745 -11.872 95 HB THR 11 HB THR 11 6.837 -1.888 -13.874 96 HG1 THR 11 HG1 THR 11 7.874 -3.512 -14.712 97 1HG2 THR 11 1HG2 THR 11 8.883 -0.624 -15.266 98 2HG2 THR 11 2HG2 THR 11 8.903 0.091 -13.656 99 3HG2 THR 11 3HG2 THR 11 7.421 0.107 -14.608 100 H LEU 12 H LEU 12 9.464 -3.877 -13.339 101 HA LEU 12 HA LEU 12 11.389 -4.989 -13.089 102 1HB LEU 12 2HB LEU 12 13.497 -3.534 -13.287 103 2HB LEU 12 1HB LEU 12 12.392 -3.649 -14.632 104 HG LEU 12 HG LEU 12 13.261 -1.413 -14.411 105 1HD1 LEU 12 1HD1 LEU 12 11.365 -0.625 -15.184 106 2HD1 LEU 12 2HD1 LEU 12 10.655 -0.625 -13.571 107 3HD1 LEU 12 3HD1 LEU 12 10.551 -2.066 -14.581 108 1HD2 LEU 12 1HD2 LEU 12 13.711 -0.541 -12.443 109 2HD2 LEU 12 2HD2 LEU 12 12.840 -1.834 -11.623 110 3HD2 LEU 12 3HD2 LEU 12 11.983 -0.381 -12.136 111 H LYS 13 H LYS 13 13.141 -5.604 -11.820 112 HA LYS 13 HA LYS 13 12.683 -5.793 -9.161 113 1HB LYS 13 2HB LYS 13 14.431 -7.160 -9.297 114 2HB LYS 13 1HB LYS 13 14.740 -6.558 -10.915 115 1HG LYS 13 2HG LYS 13 16.772 -6.333 -9.796 116 2HG LYS 13 1HG LYS 13 16.089 -4.708 -9.791 117 1HD LYS 13 2HD LYS 13 16.035 -4.654 -7.561 118 2HD LYS 13 1HD LYS 13 15.232 -6.222 -7.478 119 1HE LYS 13 2HE LYS 13 18.178 -5.638 -7.599 120 2HE LYS 13 1HE LYS 13 17.281 -6.465 -6.327 121 1HZ LYS 13 1HZ LYS 13 18.198 -8.225 -7.426 122 2HZ LYS 13 2HZ LYS 13 18.158 -7.470 -8.938 123 3HZ LYS 13 3HZ LYS 13 16.738 -8.101 -8.271 124 H ASP 14 H ASP 14 14.143 -3.063 -10.749 125 HA ASP 14 HA ASP 14 15.206 -1.945 -8.312 126 1HB ASP 14 2HB ASP 14 14.799 -0.450 -10.894 127 2HB ASP 14 1HB ASP 14 15.987 -0.147 -9.633 128 H LEU 15 H LEU 15 12.184 -1.987 -9.862 129 HA LEU 15 HA LEU 15 10.649 -0.011 -9.816 130 1HB LEU 15 2HB LEU 15 8.922 -1.077 -8.535 131 2HB LEU 15 1HB LEU 15 9.801 -2.273 -9.443 132 HG LEU 15 HG LEU 15 9.703 -3.438 -7.530 133 1HD1 LEU 15 1HD1 LEU 15 11.585 -3.179 -6.050 134 2HD1 LEU 15 2HD1 LEU 15 11.860 -1.539 -6.633 135 3HD1 LEU 15 3HD1 LEU 15 12.085 -2.908 -7.717 136 1HD2 LEU 15 1HD2 LEU 15 8.416 -2.599 -5.944 137 2HD2 LEU 15 2HD2 LEU 15 8.712 -0.958 -6.518 138 3HD2 LEU 15 3HD2 LEU 15 9.796 -1.687 -5.333 139 HA PRO 16 HA PRO 16 11.881 2.254 -6.047 140 1HB PRO 16 2HB PRO 16 13.470 4.112 -7.080 141 2HB PRO 16 1HB PRO 16 14.032 2.453 -6.860 142 1HG PRO 16 2HG PRO 16 13.360 3.887 -9.349 143 2HG PRO 16 1HG PRO 16 14.397 2.471 -9.116 144 1HD PRO 16 2HD PRO 16 11.607 2.569 -9.924 145 2HD PRO 16 1HD PRO 16 12.690 1.164 -9.849 146 H GLU 17 H GLU 17 9.419 2.608 -7.273 147 HA GLU 17 HA GLU 17 7.894 4.215 -8.057 148 1HB GLU 17 2HB GLU 17 7.596 5.835 -6.000 149 2HB GLU 17 1HB GLU 17 7.211 4.128 -5.869 150 1HG GLU 17 2HG GLU 17 8.927 3.697 -4.464 151 2HG GLU 17 1HG GLU 17 9.973 4.915 -5.191 152 H GLU 18 H GLU 18 9.554 6.616 -6.128 153 HA GLU 18 HA GLU 18 10.791 7.906 -8.382 154 1HB GLU 18 2HB GLU 18 8.425 8.604 -8.599 155 2HB GLU 18 1HB GLU 18 8.490 9.271 -6.974 156 1HG GLU 18 2HG GLU 18 9.743 11.064 -7.607 157 2HG GLU 18 1HG GLU 18 10.498 10.206 -8.948 158 H PHE 19 H PHE 19 11.224 6.900 -5.500 159 HA PHE 19 HA PHE 19 13.178 8.818 -4.781 160 1HB PHE 19 2HB PHE 19 11.340 10.142 -3.994 161 2HB PHE 19 1HB PHE 19 10.638 8.764 -3.156 162 HD1 PHE 19 HD1 PHE 19 14.165 9.932 -3.189 163 HD2 PHE 19 HD2 PHE 19 10.599 9.407 -0.928 164 HE1 PHE 19 HE1 PHE 19 15.376 10.562 -1.141 165 HE2 PHE 19 HE2 PHE 19 11.801 10.037 1.124 166 HZ PHE 19 HZ PHE 19 14.194 10.616 1.019 167 H ARG 20 H ARG 20 14.250 6.771 -4.930 168 HA ARG 20 HA ARG 20 15.319 4.979 -4.024 169 1HB ARG 20 2HB ARG 20 15.735 6.467 -2.134 170 2HB ARG 20 1HB ARG 20 14.169 6.060 -1.445 171 1HG ARG 20 2HG ARG 20 15.423 4.647 -0.218 172 2HG ARG 20 1HG ARG 20 15.205 3.603 -1.623 173 1HD ARG 20 2HD ARG 20 17.360 3.824 -2.292 174 2HD ARG 20 1HD ARG 20 17.479 5.487 -1.718 175 HE ARG 20 HE ARG 20 18.394 4.677 0.200 176 1HH1 ARG 20 2HH1 ARG 20 16.512 2.126 -1.257 177 2HH1 ARG 20 1HH1 ARG 20 16.964 0.946 -0.073 178 1HH2 ARG 20 1HH2 ARG 20 18.990 3.128 1.757 179 2HH2 ARG 20 2HH2 ARG 20 18.370 1.515 1.639 180 HA PRO 21 HA PRO 21 12.233 1.798 -4.213 181 1HB PRO 21 2HB PRO 21 14.274 0.044 -2.981 182 2HB PRO 21 1HB PRO 21 13.436 -0.119 -4.527 183 1HG PRO 21 2HG PRO 21 16.013 0.591 -4.405 184 2HG PRO 21 1HG PRO 21 14.922 1.263 -5.629 185 1HD PRO 21 2HD PRO 21 15.942 2.505 -3.107 186 2HD PRO 21 1HD PRO 21 15.678 3.240 -4.701 187 H PHE 22 H PHE 22 10.607 1.669 -2.817 188 HA PHE 22 HA PHE 22 11.181 1.516 0.055 189 1HB PHE 22 2HB PHE 22 8.853 2.465 -1.558 190 2HB PHE 22 1HB PHE 22 8.555 1.864 0.069 191 HD1 PHE 22 HD1 PHE 22 8.513 4.747 -1.420 192 HD2 PHE 22 HD2 PHE 22 10.940 2.823 1.497 193 HE1 PHE 22 HE1 PHE 22 9.148 6.941 -0.506 194 HE2 PHE 22 HE2 PHE 22 11.580 5.013 2.417 195 HZ PHE 22 HZ PHE 22 10.683 7.077 1.415 196 H VAL 23 H VAL 23 9.763 -0.238 -2.593 197 HA VAL 23 HA VAL 23 8.686 -2.294 -0.827 198 HB VAL 23 HB VAL 23 8.674 -2.380 -3.834 199 1HG1 VAL 23 1HG1 VAL 23 7.884 -4.409 -3.203 200 2HG1 VAL 23 2HG1 VAL 23 6.376 -3.502 -3.077 201 3HG1 VAL 23 3HG1 VAL 23 7.332 -3.829 -1.632 202 1HG2 VAL 23 1HG2 VAL 23 6.564 -1.231 -3.862 203 2HG2 VAL 23 2HG2 VAL 23 7.750 -0.210 -3.049 204 3HG2 VAL 23 3HG2 VAL 23 6.561 -1.105 -2.103 205 H ASP 24 H ASP 24 11.572 -1.618 -2.473 206 HA ASP 24 HA ASP 24 12.497 -4.006 -3.438 207 1HB ASP 24 2HB ASP 24 13.761 -1.893 -3.539 208 2HB ASP 24 1HB ASP 24 14.084 -2.007 -1.812 209 H TYR 25 H TYR 25 12.097 -3.050 -0.097 210 HA TYR 25 HA TYR 25 13.638 -5.046 1.124 211 1HB TYR 25 2HB TYR 25 12.571 -4.463 3.139 212 2HB TYR 25 1HB TYR 25 12.533 -2.982 2.189 213 HD1 TYR 25 HD1 TYR 25 10.655 -4.991 4.290 214 HD2 TYR 25 HD2 TYR 25 10.308 -2.821 0.647 215 HE1 TYR 25 HE1 TYR 25 8.220 -4.869 4.601 216 HE2 TYR 25 HE2 TYR 25 7.872 -2.692 0.949 217 HH TYR 25 HH TYR 25 6.115 -4.432 2.504 218 H LYS 26 H LYS 26 10.353 -5.071 -0.122 219 HA LYS 26 HA LYS 26 9.619 -7.591 0.964 220 1HB LYS 26 2HB LYS 26 8.118 -5.728 -0.046 221 2HB LYS 26 1HB LYS 26 8.486 -6.482 -1.590 222 1HG LYS 26 2HG LYS 26 7.610 -8.627 -0.669 223 2HG LYS 26 1HG LYS 26 7.093 -7.734 0.763 224 1HD LYS 26 2HD LYS 26 6.257 -6.590 -1.820 225 2HD LYS 26 1HD LYS 26 5.537 -8.148 -1.411 226 1HE LYS 26 2HE LYS 26 4.045 -6.940 -0.258 227 2HE LYS 26 1HE LYS 26 5.323 -6.787 0.947 228 1HZ LYS 26 1HZ LYS 26 4.635 -4.618 0.568 229 2HZ LYS 26 2HZ LYS 26 4.482 -4.835 -1.102 230 3HZ LYS 26 3HZ LYS 26 6.018 -4.748 -0.398 231 H ALA 27 H ALA 27 11.231 -6.558 -1.968 232 HA ALA 27 HA ALA 27 11.127 -9.062 -3.310 233 1HB ALA 27 1HB ALA 27 11.621 -7.468 -4.841 234 2HB ALA 27 2HB ALA 27 13.277 -7.903 -4.421 235 3HB ALA 27 3HB ALA 27 12.526 -6.486 -3.689 236 H GLY 28 H GLY 28 13.227 -7.657 -0.904 237 1HA GLY 28 2HA GLY 28 14.965 -10.040 -1.071 238 2HA GLY 28 1HA GLY 28 15.483 -8.476 -0.458 239 H LEU 29 H LEU 29 12.330 -9.468 0.479 240 HA LEU 29 HA LEU 29 12.838 -9.342 3.199 241 1HB LEU 29 2HB LEU 29 10.631 -10.160 1.495 242 2HB LEU 29 1HB LEU 29 10.694 -11.092 2.980 243 HG LEU 29 HG LEU 29 10.530 -8.084 2.779 244 1HD1 LEU 29 1HD1 LEU 29 8.545 -10.244 3.115 245 2HD1 LEU 29 2HD1 LEU 29 8.374 -8.642 2.396 246 3HD1 LEU 29 3HD1 LEU 29 8.355 -8.828 4.150 247 1HD2 LEU 29 1HD2 LEU 29 11.602 -8.238 4.765 248 2HD2 LEU 29 2HD2 LEU 29 11.135 -9.921 5.011 249 3HD2 LEU 29 3HD2 LEU 29 9.983 -8.628 5.345 250 H GLU 30 H GLU 30 13.392 -11.905 0.993 251 HA GLU 30 HA GLU 30 14.987 -13.376 2.748 252 1HB GLU 30 2HB GLU 30 12.756 -13.880 3.786 253 2HB GLU 30 1HB GLU 30 12.298 -14.674 2.286 254 1HG GLU 30 2HG GLU 30 13.829 -16.405 2.596 255 2HG GLU 30 1HG GLU 30 14.747 -15.500 3.798 256 H LYS 31 H LYS 31 15.151 -12.449 0.140 257 HA LYS 31 HA LYS 31 15.777 -13.054 -1.960 258 1HB LYS 31 2HB LYS 31 16.285 -15.788 -0.788 259 2HB LYS 31 1HB LYS 31 17.071 -15.056 -2.180 260 1HG LYS 31 2HG LYS 31 17.925 -13.289 -0.548 261 2HG LYS 31 1HG LYS 31 17.424 -14.404 0.724 262 1HD LYS 31 2HD LYS 31 19.001 -15.640 -1.416 263 2HD LYS 31 1HD LYS 31 19.867 -14.410 -0.493 264 1HE LYS 31 2HE LYS 31 18.311 -16.242 1.168 265 2HE LYS 31 1HE LYS 31 19.570 -17.042 0.227 266 1HZ LYS 31 1HZ LYS 31 19.814 -15.148 2.419 267 2HZ LYS 31 2HZ LYS 31 20.927 -14.968 1.159 268 3HZ LYS 31 3HZ LYS 31 20.817 -16.440 1.987 269 H LYS 32 H LYS 32 13.072 -13.142 -1.520 270 HA LYS 32 HA LYS 32 11.846 -15.564 -2.320 271 1HB LYS 32 2HB LYS 32 9.856 -14.132 -2.783 272 2HB LYS 32 1HB LYS 32 10.536 -13.907 -1.178 273 1HG LYS 32 2HG LYS 32 10.356 -11.730 -1.665 274 2HG LYS 32 1HG LYS 32 11.856 -11.989 -2.559 275 1HD LYS 32 2HD LYS 32 10.706 -11.120 -4.287 276 2HD LYS 32 1HD LYS 32 10.008 -12.737 -4.404 277 1HE LYS 32 2HE LYS 32 8.760 -10.742 -2.573 278 2HE LYS 32 1HE LYS 32 8.474 -10.608 -4.308 279 1HZ LYS 32 1HZ LYS 32 7.369 -12.448 -2.430 280 2HZ LYS 32 2HZ LYS 32 8.073 -13.256 -3.739 281 3HZ LYS 32 3HZ LYS 32 6.872 -12.097 -4.010 282 H LYS 33 H LYS 33 12.835 -12.675 -4.123 283 HA LYS 33 HA LYS 33 13.441 -14.069 -6.471 284 1HB LYS 33 2HB LYS 33 10.639 -13.458 -6.144 285 2HB LYS 33 1HB LYS 33 11.289 -12.599 -7.534 286 1HG LYS 33 2HG LYS 33 11.454 -15.567 -7.055 287 2HG LYS 33 1HG LYS 33 10.366 -14.750 -8.178 288 1HD LYS 33 2HD LYS 33 12.012 -14.352 -9.694 289 2HD LYS 33 1HD LYS 33 13.256 -14.171 -8.456 290 1HE LYS 33 2HE LYS 33 13.629 -16.170 -9.813 291 2HE LYS 33 1HE LYS 33 13.303 -16.583 -8.129 292 1HZ LYS 33 1HZ LYS 33 11.764 -17.172 -10.507 293 2HZ LYS 33 2HZ LYS 33 10.845 -16.655 -9.186 294 3HZ LYS 33 3HZ LYS 33 11.850 -18.007 -9.038 295 H LEU 34 H LEU 34 15.160 -12.807 -6.843 296 HA LEU 34 HA LEU 34 14.764 -9.893 -6.922 297 1HB LEU 34 2HB LEU 34 17.379 -11.385 -6.749 298 2HB LEU 34 1HB LEU 34 17.131 -9.661 -6.557 299 HG LEU 34 HG LEU 34 15.519 -11.079 -4.644 300 1HD1 LEU 34 1HD1 LEU 34 18.285 -12.054 -5.026 301 2HD1 LEU 34 2HD1 LEU 34 16.868 -12.877 -4.373 302 3HD1 LEU 34 3HD1 LEU 34 17.768 -11.739 -3.369 303 1HD2 LEU 34 1HD2 LEU 34 16.386 -8.700 -4.620 304 2HD2 LEU 34 2HD2 LEU 34 17.943 -9.373 -4.136 305 3HD2 LEU 34 3HD2 LEU 34 16.528 -9.598 -3.108 306 H SER 35 H SER 35 13.771 -11.022 -9.099 307 HA SER 35 HA SER 35 15.853 -11.001 -11.162 308 1HB SER 35 2HB SER 35 13.871 -12.771 -10.862 309 2HB SER 35 1HB SER 35 13.016 -11.586 -11.849 310 HG SER 35 HG SER 35 15.561 -12.603 -12.552 311 H ASP 36 H ASP 36 15.182 -9.960 -13.279 312 HA ASP 36 HA ASP 36 14.452 -7.223 -12.729 313 1HB ASP 36 2HB ASP 36 15.725 -8.701 -14.937 314 2HB ASP 36 1HB ASP 36 14.731 -7.337 -15.441 315 H ASP 37 H ASP 37 12.614 -9.887 -13.204 316 HA ASP 37 HA ASP 37 10.624 -8.551 -14.888 317 1HB ASP 37 2HB ASP 37 10.541 -11.388 -13.856 318 2HB ASP 37 1HB ASP 37 9.586 -10.692 -15.163 319 H ASP 38 H ASP 38 11.227 -7.871 -12.040 320 HA ASP 38 HA ASP 38 8.894 -8.745 -10.575 321 1HB ASP 38 2HB ASP 38 11.169 -8.309 -9.540 322 2HB ASP 38 1HB ASP 38 10.851 -6.592 -9.771 323 H GLU 39 H GLU 39 7.038 -7.652 -10.275 324 HA GLU 39 HA GLU 39 6.880 -4.850 -11.108 325 1HB GLU 39 2HB GLU 39 5.414 -7.149 -12.300 326 2HB GLU 39 1HB GLU 39 4.522 -5.651 -12.069 327 1HG GLU 39 2HG GLU 39 5.951 -4.455 -13.501 328 2HG GLU 39 1HG GLU 39 7.162 -5.736 -13.490 329 H ILE 40 H ILE 40 5.432 -3.622 -9.963 330 HA ILE 40 HA ILE 40 3.549 -4.910 -8.161 331 HB ILE 40 HB ILE 40 5.571 -2.980 -7.034 332 1HG1 ILE 40 2HG1 ILE 40 5.507 -5.997 -6.806 333 2HG1 ILE 40 1HG1 ILE 40 6.706 -5.057 -7.687 334 1HG2 ILE 40 1HG2 ILE 40 3.586 -4.805 -5.687 335 2HG2 ILE 40 2HG2 ILE 40 3.384 -3.069 -5.919 336 3HG2 ILE 40 3HG2 ILE 40 4.680 -3.676 -4.888 337 1HD1 ILE 40 1HD1 ILE 40 7.053 -3.927 -5.340 338 2HD1 ILE 40 2HD1 ILE 40 7.831 -5.456 -5.750 339 3HD1 ILE 40 3HD1 ILE 40 6.369 -5.447 -4.765 340 H ALA 41 H ALA 41 1.717 -3.786 -8.094 341 HA ALA 41 HA ALA 41 1.744 -1.020 -9.083 342 1HB ALA 41 1HB ALA 41 -0.256 -1.393 -10.056 343 2HB ALA 41 2HB ALA 41 -0.842 -2.387 -8.723 344 3HB ALA 41 3HB ALA 41 0.233 -3.083 -9.937 345 H ILE 42 H ILE 42 1.789 0.464 -7.534 346 HA ILE 42 HA ILE 42 0.399 -0.084 -5.001 347 HB ILE 42 HB ILE 42 2.559 1.950 -5.579 348 1HG1 ILE 42 2HG1 ILE 42 3.878 0.446 -4.002 349 2HG1 ILE 42 1HG1 ILE 42 2.606 -0.749 -4.226 350 1HG2 ILE 42 1HG2 ILE 42 1.567 2.945 -3.804 351 2HG2 ILE 42 2HG2 ILE 42 2.522 1.763 -2.910 352 3HG2 ILE 42 3HG2 ILE 42 0.819 1.451 -3.244 353 1HD1 ILE 42 1HD1 ILE 42 4.757 -0.851 -5.667 354 2HD1 ILE 42 2HD1 ILE 42 3.970 0.421 -6.603 355 3HD1 ILE 42 3HD1 ILE 42 3.187 -1.148 -6.414 356 H ILE 43 H ILE 43 -1.394 0.999 -4.536 357 HA ILE 43 HA ILE 43 -1.965 3.483 -6.021 358 HB ILE 43 HB ILE 43 -4.027 1.542 -4.978 359 1HG1 ILE 43 2HG1 ILE 43 -4.313 1.225 -7.576 360 2HG1 ILE 43 1HG1 ILE 43 -2.625 1.729 -7.617 361 1HG2 ILE 43 1HG2 ILE 43 -4.211 3.938 -6.796 362 2HG2 ILE 43 2HG2 ILE 43 -4.864 3.789 -5.164 363 3HG2 ILE 43 3HG2 ILE 43 -5.534 2.817 -6.475 364 1HD1 ILE 43 1HD1 ILE 43 -1.916 -0.143 -6.440 365 2HD1 ILE 43 2HD1 ILE 43 -3.152 -0.771 -7.530 366 3HD1 ILE 43 3HD1 ILE 43 -3.534 -0.492 -5.831 367 H SER 44 H SER 44 -1.508 5.068 -4.597 368 HA SER 44 HA SER 44 -1.936 4.823 -1.786 369 1HB SER 44 2HB SER 44 -1.470 7.365 -3.357 370 2HB SER 44 1HB SER 44 -1.165 7.101 -1.641 371 HG SER 44 HG SER 44 0.323 5.376 -2.460 372 H ILE 45 H ILE 45 -3.501 5.746 -0.493 373 HA ILE 45 HA ILE 45 -5.749 7.066 -1.842 374 HB ILE 45 HB ILE 45 -7.389 5.786 -0.605 375 1HG1 ILE 45 2HG1 ILE 45 -5.960 5.308 1.382 376 2HG1 ILE 45 1HG1 ILE 45 -6.817 3.892 0.785 377 1HG2 ILE 45 1HG2 ILE 45 -5.454 3.964 -2.025 378 2HG2 ILE 45 2HG2 ILE 45 -6.673 4.974 -2.800 379 3HG2 ILE 45 3HG2 ILE 45 -7.166 3.652 -1.742 380 1HD1 ILE 45 1HD1 ILE 45 -4.470 3.694 -0.558 381 2HD1 ILE 45 2HD1 ILE 45 -4.829 2.899 0.975 382 3HD1 ILE 45 3HD1 ILE 45 -3.949 4.425 0.959 383 H LYS 46 H LYS 46 -4.070 6.363 1.184 384 HA LYS 46 HA LYS 46 -4.926 8.969 2.181 385 1HB LYS 46 2HB LYS 46 -5.438 6.330 3.456 386 2HB LYS 46 1HB LYS 46 -5.040 7.690 4.498 387 1HG LYS 46 2HG LYS 46 -7.265 7.995 4.480 388 2HG LYS 46 1HG LYS 46 -6.925 8.830 2.962 389 1HD LYS 46 2HD LYS 46 -7.410 6.791 1.717 390 2HD LYS 46 1HD LYS 46 -7.708 5.927 3.226 391 1HE LYS 46 2HE LYS 46 -9.360 8.109 3.443 392 2HE LYS 46 1HE LYS 46 -9.440 7.735 1.721 393 1HZ LYS 46 1HZ LYS 46 -11.102 6.435 2.620 394 2HZ LYS 46 2HZ LYS 46 -10.224 6.060 4.016 395 3HZ LYS 46 3HZ LYS 46 -9.815 5.340 2.541 396 H GLY 47 H GLY 47 -2.958 9.916 2.042 397 1HA GLY 47 2HA GLY 47 -0.475 8.776 2.524 398 2HA GLY 47 1HA GLY 47 -0.837 10.486 2.722 399 H THR 48 H THR 48 -2.763 10.185 4.798 400 HA THR 48 HA THR 48 -1.044 10.136 7.052 401 HB THR 48 HB THR 48 -3.072 11.519 6.977 402 HG1 THR 48 HG1 THR 48 -2.446 11.071 9.026 403 1HG2 THR 48 1HG2 THR 48 -4.820 9.194 7.538 404 2HG2 THR 48 2HG2 THR 48 -4.411 9.546 5.860 405 3HG2 THR 48 3HG2 THR 48 -5.210 10.768 6.848 406 H GLN 49 H GLN 49 -3.139 7.796 5.526 407 HA GLN 49 HA GLN 49 -3.032 5.912 7.694 408 1HB GLN 49 2HB GLN 49 -4.154 5.930 4.934 409 2HB GLN 49 1HB GLN 49 -3.859 4.374 5.693 410 1HG GLN 49 2HG GLN 49 -5.307 6.371 7.312 411 2HG GLN 49 1HG GLN 49 -6.160 5.711 5.916 412 1HE2 GLN 49 1HE2 GLN 49 -6.013 3.274 5.739 413 2HE2 GLN 49 2HE2 GLN 49 -6.228 2.381 7.203 414 H SER 50 H SER 50 -2.097 5.274 4.320 415 HA SER 50 HA SER 50 0.598 4.978 4.481 416 1HB SER 50 2HB SER 50 -0.754 2.802 5.966 417 2HB SER 50 1HB SER 50 0.526 2.292 4.867 418 HG SER 50 HG SER 50 1.969 3.558 5.968 419 H ASN 51 H ASN 51 -1.442 5.363 2.537 420 HA ASN 51 HA ASN 51 -2.077 4.740 0.429 421 1HB ASN 51 2HB ASN 51 0.585 3.335 0.283 422 2HB ASN 51 1HB ASN 51 -0.290 4.144 -1.011 423 1HD2 ASN 51 1HD2 ASN 51 2.136 4.417 1.263 424 2HD2 ASN 51 2HD2 ASN 51 2.378 6.126 1.187 425 H HIS 52 H HIS 52 -1.560 2.559 -1.166 426 HA HIS 52 HA HIS 52 -2.271 0.185 0.381 427 1HB HIS 52 2HB HIS 52 -4.062 1.620 -1.494 428 2HB HIS 52 1HB HIS 52 -4.015 -0.132 -1.657 429 HD1 HIS 52 HD1 HIS 52 -3.477 0.822 1.797 430 HD2 HIS 52 HD2 HIS 52 -6.770 0.216 -0.664 431 HE1 HIS 52 HE1 HIS 52 -5.433 0.536 3.351 432 HE2 HIS 52 HE2 HIS 52 -7.431 0.297 1.836 433 H VAL 53 H VAL 53 -0.327 -0.744 -0.170 434 HA VAL 53 HA VAL 53 0.521 -0.904 -2.925 435 HB VAL 53 HB VAL 53 2.192 -0.693 -1.153 436 1HG1 VAL 53 1HG1 VAL 53 0.948 -3.234 -0.180 437 2HG1 VAL 53 2HG1 VAL 53 1.341 -1.767 0.716 438 3HG1 VAL 53 3HG1 VAL 53 2.629 -2.853 0.195 439 1HG2 VAL 53 1HG2 VAL 53 2.972 -3.356 -1.950 440 2HG2 VAL 53 2HG2 VAL 53 3.643 -1.797 -2.429 441 3HG2 VAL 53 3HG2 VAL 53 2.266 -2.470 -3.300 442 H LEU 54 H LEU 54 0.537 -2.696 -4.233 443 HA LEU 54 HA LEU 54 -0.592 -5.193 -3.224 444 1HB LEU 54 2HB LEU 54 -2.223 -3.423 -4.504 445 2HB LEU 54 1HB LEU 54 -1.653 -4.391 -5.850 446 HG LEU 54 HG LEU 54 -3.797 -5.193 -4.908 447 1HD1 LEU 54 1HD1 LEU 54 -1.451 -7.062 -4.623 448 2HD1 LEU 54 2HD1 LEU 54 -2.382 -6.750 -6.088 449 3HD1 LEU 54 3HD1 LEU 54 -3.140 -7.561 -4.718 450 1HD2 LEU 54 1HD2 LEU 54 -2.935 -4.569 -2.507 451 2HD2 LEU 54 2HD2 LEU 54 -2.349 -6.233 -2.522 452 3HD2 LEU 54 3HD2 LEU 54 -4.068 -5.900 -2.744 453 H PHE 55 H PHE 55 0.444 -6.919 -4.013 454 HA PHE 55 HA PHE 55 2.680 -6.586 -5.735 455 1HB PHE 55 2HB PHE 55 2.100 -8.401 -3.864 456 2HB PHE 55 1HB PHE 55 1.551 -9.301 -5.274 457 HD1 PHE 55 HD1 PHE 55 4.488 -7.316 -4.117 458 HD2 PHE 55 HD2 PHE 55 3.066 -10.626 -6.381 459 HE1 PHE 55 HE1 PHE 55 6.809 -7.990 -4.582 460 HE2 PHE 55 HE2 PHE 55 5.383 -11.307 -6.849 461 HZ PHE 55 HZ PHE 55 7.258 -9.988 -5.949 462 H LEU 56 H LEU 56 3.016 -7.314 -7.832 463 HA LEU 56 HA LEU 56 0.668 -8.241 -9.323 464 1HB LEU 56 2HB LEU 56 1.618 -5.629 -9.454 465 2HB LEU 56 1HB LEU 56 2.292 -6.399 -10.878 466 HG LEU 56 HG LEU 56 -0.006 -7.119 -11.518 467 1HD1 LEU 56 1HD1 LEU 56 -0.610 -5.824 -8.935 468 2HD1 LEU 56 2HD1 LEU 56 -1.413 -7.166 -9.753 469 3HD1 LEU 56 3HD1 LEU 56 -1.734 -5.507 -10.257 470 1HD2 LEU 56 1HD2 LEU 56 0.918 -4.318 -11.346 471 2HD2 LEU 56 2HD2 LEU 56 -0.773 -4.566 -11.776 472 3HD2 LEU 56 3HD2 LEU 56 0.501 -5.293 -12.755 473 H SER 57 H SER 57 1.107 -9.586 -11.046 474 HA SER 57 HA SER 57 3.860 -10.586 -11.160 475 1HB SER 57 2HB SER 57 1.223 -11.809 -11.989 476 2HB SER 57 1HB SER 57 2.784 -12.545 -12.353 477 HG SER 57 HG SER 57 1.392 -12.466 -10.001 478 H SER 58 H SER 58 1.291 -10.614 -13.612 479 HA SER 58 HA SER 58 2.416 -8.728 -15.347 480 1HB SER 58 2HB SER 58 3.249 -10.409 -17.102 481 2HB SER 58 1HB SER 58 4.296 -10.113 -15.714 482 HG SER 58 HG SER 58 4.097 -12.337 -16.112 483 H TYR 59 H TYR 59 1.044 -8.293 -17.011 484 HA TYR 59 HA TYR 59 -0.953 -10.275 -17.779 485 1HB TYR 59 2HB TYR 59 -1.604 -8.420 -15.866 486 2HB TYR 59 1HB TYR 59 -2.131 -7.619 -17.342 487 HD1 TYR 59 HD1 TYR 59 -2.341 -10.966 -15.690 488 HD2 TYR 59 HD2 TYR 59 -4.278 -8.033 -18.086 489 HE1 TYR 59 HE1 TYR 59 -4.392 -12.323 -15.680 490 HE2 TYR 59 HE2 TYR 59 -6.334 -9.380 -18.082 491 HH TYR 59 HH TYR 59 -6.410 -12.619 -16.949 492 H ASN 60 H ASN 60 0.214 -6.950 -18.233 493 HA ASN 60 HA ASN 60 0.565 -5.699 -20.100 494 1HB ASN 60 2HB ASN 60 1.728 -8.028 -20.655 495 2HB ASN 60 1HB ASN 60 0.463 -8.090 -21.879 496 1HD2 ASN 60 1HD2 ASN 60 2.079 -7.985 -23.482 497 2HD2 ASN 60 2HD2 ASN 60 2.842 -6.487 -23.883 498 H SER 61 H SER 61 -2.152 -6.324 -19.253 499 HA SER 61 HA SER 61 -3.517 -5.394 -21.618 500 1HB SER 61 2HB SER 61 -4.903 -7.721 -20.423 501 2HB SER 61 1HB SER 61 -4.809 -7.205 -22.107 502 HG SER 61 HG SER 61 -3.522 -8.896 -22.184 503 H VAL 62 H VAL 62 -5.529 -4.438 -21.171 504 HA VAL 62 HA VAL 62 -6.090 -4.074 -18.299 505 HB VAL 62 HB VAL 62 -7.131 -1.860 -19.066 506 1HG1 VAL 62 1HG1 VAL 62 -4.601 -0.970 -19.391 507 2HG1 VAL 62 2HG1 VAL 62 -4.298 -2.561 -18.692 508 3HG1 VAL 62 3HG1 VAL 62 -5.306 -1.396 -17.831 509 1HG2 VAL 62 1HG2 VAL 62 -7.010 -2.513 -21.505 510 2HG2 VAL 62 2HG2 VAL 62 -5.273 -2.220 -21.407 511 3HG2 VAL 62 3HG2 VAL 62 -6.407 -0.903 -21.109 512 H ASP 63 H ASP 63 -7.925 -4.994 -17.693 513 HA ASP 63 HA ASP 63 -10.413 -4.469 -18.853 514 1HB ASP 63 2HB ASP 63 -10.732 -7.052 -19.492 515 2HB ASP 63 1HB ASP 63 -10.224 -5.843 -20.665 516 H GLU 64 H GLU 64 -9.282 -7.628 -17.686 517 HA GLU 64 HA GLU 64 -11.219 -7.516 -15.533 518 1HB GLU 64 2HB GLU 64 -9.573 -9.605 -16.828 519 2HB GLU 64 1HB GLU 64 -9.903 -9.844 -15.117 520 1HG GLU 64 2HG GLU 64 -12.262 -9.802 -15.498 521 2HG GLU 64 1HG GLU 64 -12.029 -9.337 -17.183 522 H ILE 65 H ILE 65 -7.705 -7.660 -15.912 523 HA ILE 65 HA ILE 65 -7.052 -7.822 -13.181 524 HB ILE 65 HB ILE 65 -5.430 -8.291 -14.965 525 1HG1 ILE 65 2HG1 ILE 65 -4.500 -5.987 -13.238 526 2HG1 ILE 65 1HG1 ILE 65 -4.703 -7.637 -12.655 527 1HG2 ILE 65 1HG2 ILE 65 -5.670 -5.340 -15.486 528 2HG2 ILE 65 2HG2 ILE 65 -5.926 -6.674 -16.611 529 3HG2 ILE 65 3HG2 ILE 65 -4.299 -6.302 -16.041 530 1HD1 ILE 65 1HD1 ILE 65 -2.713 -6.585 -14.629 531 2HD1 ILE 65 2HD1 ILE 65 -3.069 -8.306 -14.486 532 3HD1 ILE 65 3HD1 ILE 65 -2.424 -7.421 -13.103 533 H ARG 66 H ARG 66 -7.894 -5.130 -15.240 534 HA ARG 66 HA ARG 66 -7.005 -3.098 -13.429 535 1HB ARG 66 2HB ARG 66 -7.401 -2.946 -15.991 536 2HB ARG 66 1HB ARG 66 -9.082 -2.672 -15.556 537 1HG ARG 66 2HG ARG 66 -7.442 -0.967 -13.971 538 2HG ARG 66 1HG ARG 66 -6.967 -0.805 -15.662 539 1HD ARG 66 2HD ARG 66 -9.718 -0.442 -14.487 540 2HD ARG 66 1HD ARG 66 -8.689 0.797 -15.201 541 HE ARG 66 HE ARG 66 -9.322 -1.337 -17.012 542 1HH1 ARG 66 2HH1 ARG 66 -10.424 1.700 -15.691 543 2HH1 ARG 66 1HH1 ARG 66 -11.433 2.068 -17.050 544 1HH2 ARG 66 1HH2 ARG 66 -10.649 -0.854 -18.799 545 2HH2 ARG 66 2HH2 ARG 66 -11.561 0.618 -18.813 546 H LYS 67 H LYS 67 -10.191 -4.409 -14.321 547 HA LYS 67 HA LYS 67 -11.717 -2.824 -12.595 548 1HB LYS 67 2HB LYS 67 -12.178 -4.953 -14.387 549 2HB LYS 67 1HB LYS 67 -12.868 -5.450 -12.848 550 1HG LYS 67 2HG LYS 67 -14.438 -3.785 -12.853 551 2HG LYS 67 1HG LYS 67 -13.463 -2.718 -13.865 552 1HD LYS 67 2HD LYS 67 -14.193 -5.201 -15.206 553 2HD LYS 67 1HD LYS 67 -15.595 -4.254 -14.705 554 1HE LYS 67 2HE LYS 67 -14.798 -3.716 -16.993 555 2HE LYS 67 1HE LYS 67 -14.798 -2.333 -15.900 556 1HZ LYS 67 1HZ LYS 67 -12.739 -2.938 -17.426 557 2HZ LYS 67 2HZ LYS 67 -12.329 -3.873 -16.078 558 3HZ LYS 67 3HZ LYS 67 -12.554 -2.205 -15.912 559 H GLU 68 H GLU 68 -9.878 -5.738 -12.028 560 HA GLU 68 HA GLU 68 -11.019 -6.343 -9.485 561 1HB GLU 68 2HB GLU 68 -9.795 -7.965 -10.977 562 2HB GLU 68 1HB GLU 68 -8.300 -7.166 -10.508 563 1HG GLU 68 2HG GLU 68 -8.172 -8.483 -8.744 564 2HG GLU 68 1HG GLU 68 -9.668 -7.782 -8.128 565 H LEU 69 H LEU 69 -7.863 -4.958 -10.414 566 HA LEU 69 HA LEU 69 -7.021 -4.367 -7.807 567 1HB LEU 69 2HB LEU 69 -5.955 -4.149 -10.353 568 2HB LEU 69 1HB LEU 69 -6.054 -2.485 -9.812 569 HG LEU 69 HG LEU 69 -4.888 -3.438 -7.653 570 1HD1 LEU 69 1HD1 LEU 69 -4.647 -5.678 -7.902 571 2HD1 LEU 69 2HD1 LEU 69 -3.163 -5.171 -8.708 572 3HD1 LEU 69 3HD1 LEU 69 -4.585 -5.591 -9.662 573 1HD2 LEU 69 1HD2 LEU 69 -3.180 -3.191 -10.101 574 2HD2 LEU 69 2HD2 LEU 69 -2.865 -2.625 -8.461 575 3HD2 LEU 69 3HD2 LEU 69 -4.061 -1.803 -9.462 576 H GLU 70 H GLU 70 -8.558 -2.252 -10.233 577 HA GLU 70 HA GLU 70 -8.609 0.098 -8.784 578 1HB GLU 70 2HB GLU 70 -10.356 0.838 -10.224 579 2HB GLU 70 1HB GLU 70 -9.327 -0.221 -11.176 580 1HG GLU 70 2HG GLU 70 -10.915 -2.019 -10.976 581 2HG GLU 70 1HG GLU 70 -11.918 -1.056 -9.893 582 H GLU 71 H GLU 71 -10.749 -2.683 -8.568 583 HA GLU 71 HA GLU 71 -12.708 -1.525 -6.905 584 1HB GLU 71 2HB GLU 71 -12.696 -3.791 -8.206 585 2HB GLU 71 1HB GLU 71 -11.980 -4.428 -6.732 586 1HG GLU 71 2HG GLU 71 -13.990 -4.625 -5.844 587 2HG GLU 71 1HG GLU 71 -14.221 -2.883 -5.977 588 H ALA 72 H ALA 72 -9.729 -3.305 -6.192 589 HA ALA 72 HA ALA 72 -10.121 -3.147 -3.344 590 1HB ALA 72 1HB ALA 72 -8.942 -5.044 -4.296 591 2HB ALA 72 2HB ALA 72 -7.884 -4.150 -3.204 592 3HB ALA 72 3HB ALA 72 -7.704 -3.970 -4.950 593 H GLY 73 H GLY 73 -8.624 -1.207 -5.791 594 1HA GLY 73 2HA GLY 73 -6.714 0.188 -4.322 595 2HA GLY 73 1HA GLY 73 -7.589 0.837 -5.700 596 H ALA 74 H ALA 74 -10.044 1.284 -5.006 597 HA ALA 74 HA ALA 74 -10.555 2.153 -2.377 598 1HB ALA 74 1HB ALA 74 -10.568 4.678 -3.088 599 2HB ALA 74 2HB ALA 74 -9.322 4.146 -4.217 600 3HB ALA 74 3HB ALA 74 -9.096 3.919 -2.483 601 H LYS 75 H LYS 75 -11.948 0.741 -4.350 602 HA LYS 75 HA LYS 75 -13.912 2.483 -5.533 603 1HB LYS 75 2HB LYS 75 -13.300 0.525 -6.776 604 2HB LYS 75 1HB LYS 75 -13.671 -0.519 -5.411 605 1HG LYS 75 2HG LYS 75 -15.415 -0.682 -7.057 606 2HG LYS 75 1HG LYS 75 -16.046 0.110 -5.612 607 1HD LYS 75 2HD LYS 75 -16.834 1.640 -7.057 608 2HD LYS 75 1HD LYS 75 -15.177 2.243 -7.062 609 1HE LYS 75 2HE LYS 75 -14.807 1.557 -9.167 610 2HE LYS 75 1HE LYS 75 -15.648 0.028 -8.915 611 1HZ LYS 75 1HZ LYS 75 -17.630 0.901 -9.569 612 2HZ LYS 75 2HZ LYS 75 -16.599 1.858 -10.509 613 3HZ LYS 75 3HZ LYS 75 -17.249 2.475 -9.074 614 H ILE 76 H ILE 76 -14.712 -0.436 -3.788 615 HA ILE 76 HA ILE 76 -16.753 1.069 -2.320 616 HB ILE 76 HB ILE 76 -17.377 -1.479 -1.711 617 1HG1 ILE 76 2HG1 ILE 76 -16.501 -1.735 -4.579 618 2HG1 ILE 76 1HG1 ILE 76 -15.415 -2.173 -3.265 619 1HG2 ILE 76 1HG2 ILE 76 -18.843 -1.302 -3.883 620 2HG2 ILE 76 2HG2 ILE 76 -18.176 0.331 -3.930 621 3HG2 ILE 76 3HG2 ILE 76 -19.092 -0.208 -2.523 622 1HD1 ILE 76 1HD1 ILE 76 -17.753 -3.469 -2.615 623 2HD1 ILE 76 2HD1 ILE 76 -16.335 -4.188 -3.379 624 3HD1 ILE 76 3HD1 ILE 76 -17.673 -3.608 -4.371 625 H ASN 77 H ASN 77 -15.209 -1.983 -1.388 626 HA ASN 77 HA ASN 77 -13.675 -0.845 0.724 627 1HB ASN 77 2HB ASN 77 -14.956 -1.829 2.602 628 2HB ASN 77 1HB ASN 77 -15.853 -0.565 1.766 629 1HD2 ASN 77 1HD2 ASN 77 -16.711 -2.885 3.408 630 2HD2 ASN 77 2HD2 ASN 77 -17.844 -3.737 2.421 631 H HIS 78 H HIS 78 -12.614 -2.507 2.050 632 HA HIS 78 HA HIS 78 -12.094 -4.879 0.442 633 1HB HIS 78 2HB HIS 78 -10.666 -4.192 2.996 634 2HB HIS 78 1HB HIS 78 -10.070 -5.099 1.610 635 HD1 HIS 78 HD1 HIS 78 -10.736 -1.580 2.760 636 HD2 HIS 78 HD2 HIS 78 -8.897 -3.578 -0.386 637 HE1 HIS 78 HE1 HIS 78 -9.481 0.186 1.483 638 HE2 HIS 78 HE2 HIS 78 -8.425 -1.036 -0.450 639 H THR 79 H THR 79 -11.545 -6.907 1.842 640 HA THR 79 HA THR 79 -13.696 -7.278 3.821 641 HB THR 79 HB THR 79 -14.378 -8.443 1.847 642 HG1 THR 79 HG1 THR 79 -14.424 -9.602 3.922 643 1HG2 THR 79 1HG2 THR 79 -11.742 -9.886 1.817 644 2HG2 THR 79 2HG2 THR 79 -12.160 -8.551 0.744 645 3HG2 THR 79 3HG2 THR 79 -13.074 -10.058 0.675 646 H THR 80 H THR 80 -11.374 -6.484 4.807 647 HA THR 80 HA THR 80 -9.769 -6.982 6.323 648 HB THR 80 HB THR 80 -11.277 -9.555 6.443 649 HG1 THR 80 HG1 THR 80 -11.227 -7.321 8.172 650 1HG2 THR 80 1HG2 THR 80 -8.812 -8.797 7.804 651 2HG2 THR 80 2HG2 THR 80 -9.536 -10.387 7.564 652 3HG2 THR 80 3HG2 THR 80 -10.105 -9.347 8.870 653 H LEU 81 H LEU 81 -9.977 -10.321 5.204 654 HA LEU 81 HA LEU 81 -7.594 -10.005 3.566 655 1HB LEU 81 2HB LEU 81 -7.697 -11.762 6.015 656 2HB LEU 81 1HB LEU 81 -6.482 -11.918 4.761 657 HG LEU 81 HG LEU 81 -6.851 -9.287 6.140 658 1HD1 LEU 81 1HD1 LEU 81 -6.592 -10.536 8.059 659 2HD1 LEU 81 2HD1 LEU 81 -4.919 -10.173 7.635 660 3HD1 LEU 81 3HD1 LEU 81 -5.600 -11.755 7.258 661 1HD2 LEU 81 1HD2 LEU 81 -4.779 -10.662 4.517 662 2HD2 LEU 81 2HD2 LEU 81 -4.248 -9.516 5.747 663 3HD2 LEU 81 3HD2 LEU 81 -5.335 -8.990 4.463 664 H LYS 82 H LYS 82 -10.413 -10.750 3.149 665 HA LYS 82 HA LYS 82 -10.469 -13.576 2.654 666 1HB LYS 82 2HB LYS 82 -12.406 -11.714 3.025 667 2HB LYS 82 1HB LYS 82 -12.432 -11.853 1.272 668 1HG LYS 82 2HG LYS 82 -12.640 -14.210 3.129 669 2HG LYS 82 1HG LYS 82 -14.034 -13.340 2.482 670 1HD LYS 82 2HD LYS 82 -12.202 -14.018 0.366 671 2HD LYS 82 1HD LYS 82 -12.634 -15.458 1.290 672 1HE LYS 82 2HE LYS 82 -14.803 -13.581 0.505 673 2HE LYS 82 1HE LYS 82 -14.104 -14.614 -0.740 674 1HZ LYS 82 1HZ LYS 82 -15.692 -16.010 0.012 675 2HZ LYS 82 2HZ LYS 82 -15.743 -15.328 1.560 676 3HZ LYS 82 3HZ LYS 82 -14.506 -16.407 1.153 677 H ILE 83 H ILE 83 -10.535 -10.722 0.510 678 HA ILE 83 HA ILE 83 -10.327 -12.093 -1.903 679 HB ILE 83 HB ILE 83 -9.417 -9.989 -2.847 680 1HG1 ILE 83 2HG1 ILE 83 -9.607 -8.894 -0.038 681 2HG1 ILE 83 1HG1 ILE 83 -8.091 -9.428 -0.757 682 1HG2 ILE 83 1HG2 ILE 83 -11.399 -8.547 -1.772 683 2HG2 ILE 83 2HG2 ILE 83 -11.875 -10.152 -1.217 684 3HG2 ILE 83 3HG2 ILE 83 -11.672 -9.839 -2.942 685 1HD1 ILE 83 1HD1 ILE 83 -9.266 -7.673 -2.603 686 2HD1 ILE 83 2HD1 ILE 83 -7.837 -7.406 -1.604 687 3HD1 ILE 83 3HD1 ILE 83 -9.428 -6.924 -1.016 688 H LEU 84 H LEU 84 -7.877 -11.224 0.430 689 HA LEU 84 HA LEU 84 -5.652 -11.769 -1.283 690 1HB LEU 84 2HB LEU 84 -5.920 -11.466 1.703 691 2HB LEU 84 1HB LEU 84 -4.389 -11.813 0.924 692 HG LEU 84 HG LEU 84 -5.136 -9.637 -0.488 693 1HD1 LEU 84 1HD1 LEU 84 -6.487 -8.198 0.587 694 2HD1 LEU 84 2HD1 LEU 84 -5.893 -8.663 2.180 695 3HD1 LEU 84 3HD1 LEU 84 -7.100 -9.657 1.364 696 1HD2 LEU 84 1HD2 LEU 84 -3.883 -9.014 2.108 697 2HD2 LEU 84 2HD2 LEU 84 -3.329 -8.680 0.467 698 3HD2 LEU 84 3HD2 LEU 84 -3.113 -10.286 1.161 699 H GLU 85 H GLU 85 -7.634 -13.619 0.918 700 HA GLU 85 HA GLU 85 -5.889 -15.903 0.945 701 1HB GLU 85 2HB GLU 85 -8.119 -15.039 2.429 702 2HB GLU 85 1HB GLU 85 -8.612 -16.537 1.654 703 1HG GLU 85 2HG GLU 85 -7.312 -17.783 2.968 704 2HG GLU 85 1HG GLU 85 -5.955 -16.665 2.846 705 H GLY 86 H GLY 86 -8.451 -14.719 -1.063 706 1HA GLY 86 2HA GLY 86 -8.684 -17.330 -2.398 707 2HA GLY 86 1HA GLY 86 -9.811 -15.994 -2.567 708 H HIS 87 H HIS 87 -7.366 -14.164 -2.828 709 HA HIS 87 HA HIS 87 -6.962 -14.688 -5.693 710 1HB HIS 87 2HB HIS 87 -8.008 -12.484 -4.749 711 2HB HIS 87 1HB HIS 87 -6.338 -12.061 -4.388 712 HD1 HIS 87 HD1 HIS 87 -6.334 -10.156 -6.125 713 HD2 HIS 87 HD2 HIS 87 -7.125 -13.907 -7.731 714 HE1 HIS 87 HE1 HIS 87 -6.135 -9.876 -8.617 715 HE2 HIS 87 HE2 HIS 87 -6.704 -12.137 -9.571 716 H LEU 88 HN LEU 88 -5.207 -13.368 -2.883 717 HA LEU 88 HA LEU 88 -2.656 -13.590 -4.116 718 1HB LEU 88 2HB LEU 88 -3.669 -12.376 -1.847 719 2HB LEU 88 1HB LEU 88 -2.637 -13.636 -1.199 720 HG LEU 88 HG LEU 88 -1.536 -11.870 -3.334 721 1HD1 LEU 88 1HD1 LEU 88 -1.177 -10.931 -0.564 722 2HD1 LEU 88 2HD1 LEU 88 -2.761 -10.640 -1.283 723 3HD1 LEU 88 3HD1 LEU 88 -1.309 -10.020 -2.069 724 1HD2 LEU 88 1HD2 LEU 88 -0.062 -12.633 -0.886 725 2HD2 LEU 88 2HD2 LEU 88 0.475 -12.575 -2.565 726 3HD2 LEU 88 3HD2 LEU 88 -0.492 -13.935 -1.995 Start of MODEL 14 1 1H LEU 1 1H LEU 1 -11.424 19.688 -1.909 2 2H LEU 1 2H LEU 1 -11.338 21.349 -1.483 3 3H LEU 1 3H LEU 1 -9.899 20.430 -1.659 4 HA LEU 1 HA LEU 1 -11.827 20.967 -3.814 5 1HB LEU 1 2HB LEU 1 -9.699 22.385 -4.525 6 2HB LEU 1 1HB LEU 1 -10.978 23.061 -3.535 7 HG LEU 1 HG LEU 1 -9.563 22.437 -1.514 8 1HD1 LEU 1 1HD1 LEU 1 -7.644 21.846 -3.733 9 2HD1 LEU 1 2HD1 LEU 1 -8.001 20.904 -2.285 10 3HD1 LEU 1 3HD1 LEU 1 -7.068 22.396 -2.159 11 1HD2 LEU 1 1HD2 LEU 1 -9.810 24.726 -2.565 12 2HD2 LEU 1 2HD2 LEU 1 -8.263 24.424 -3.357 13 3HD2 LEU 1 3HD2 LEU 1 -8.360 24.463 -1.596 14 H PHE 2 H PHE 2 -11.636 19.439 -5.303 15 HA PHE 2 HA PHE 2 -10.763 17.881 -6.711 16 1HB PHE 2 2HB PHE 2 -8.986 19.930 -6.800 17 2HB PHE 2 1HB PHE 2 -7.941 18.627 -6.246 18 HD1 PHE 2 HD1 PHE 2 -6.765 17.585 -7.905 19 HD2 PHE 2 HD2 PHE 2 -10.676 19.026 -8.758 20 HE1 PHE 2 HE1 PHE 2 -6.557 16.768 -10.217 21 HE2 PHE 2 HE2 PHE 2 -10.477 18.211 -11.071 22 HZ PHE 2 HZ PHE 2 -8.415 17.080 -11.803 23 H ILE 3 H ILE 3 -10.562 15.782 -6.299 24 HA ILE 3 HA ILE 3 -9.647 14.878 -3.739 25 HB ILE 3 HB ILE 3 -11.525 13.781 -4.895 26 1HG1 ILE 3 2HG1 ILE 3 -10.748 11.425 -4.558 27 2HG1 ILE 3 1HG1 ILE 3 -9.106 12.036 -4.387 28 1HG2 ILE 3 1HG2 ILE 3 -11.188 12.380 -6.822 29 2HG2 ILE 3 2HG2 ILE 3 -9.458 12.727 -6.819 30 3HG2 ILE 3 3HG2 ILE 3 -10.614 14.008 -7.186 31 1HD1 ILE 3 1HD1 ILE 3 -9.458 12.754 -2.293 32 2HD1 ILE 3 2HD1 ILE 3 -10.779 11.586 -2.330 33 3HD1 ILE 3 3HD1 ILE 3 -11.100 13.293 -2.638 34 H ALA 4 H ALA 4 -7.891 13.525 -3.290 35 HA ALA 4 HA ALA 4 -5.694 13.744 -5.228 36 1HB ALA 4 1HB ALA 4 -5.716 14.511 -2.644 37 2HB ALA 4 2HB ALA 4 -4.258 14.028 -3.512 38 3HB ALA 4 3HB ALA 4 -5.094 12.868 -2.479 39 H THR 5 H THR 5 -4.441 11.960 -5.779 40 HA THR 5 HA THR 5 -4.887 9.370 -4.659 41 HB THR 5 HB THR 5 -5.604 8.504 -7.049 42 HG1 THR 5 HG1 THR 5 -6.688 9.925 -8.239 43 1HG2 THR 5 1HG2 THR 5 -7.628 8.067 -6.201 44 2HG2 THR 5 2HG2 THR 5 -7.925 9.749 -5.761 45 3HG2 THR 5 3HG2 THR 5 -6.935 8.727 -4.719 46 H LEU 6 H LEU 6 -3.196 8.045 -5.061 47 HA LEU 6 HA LEU 6 -1.252 8.931 -7.093 48 1HB LEU 6 2HB LEU 6 -0.483 9.283 -4.769 49 2HB LEU 6 1HB LEU 6 -0.677 7.568 -4.462 50 HG LEU 6 HG LEU 6 0.980 7.377 -6.531 51 1HD1 LEU 6 1HD1 LEU 6 0.878 10.045 -6.451 52 2HD1 LEU 6 2HD1 LEU 6 2.311 9.154 -6.965 53 3HD1 LEU 6 3HD1 LEU 6 2.203 9.777 -5.319 54 1HD2 LEU 6 1HD2 LEU 6 2.853 7.683 -4.687 55 2HD2 LEU 6 2HD2 LEU 6 1.726 6.327 -4.650 56 3HD2 LEU 6 3HD2 LEU 6 1.449 7.732 -3.621 57 H LYS 7 H LYS 7 -0.989 7.543 -8.703 58 HA LYS 7 HA LYS 7 -1.294 4.667 -8.158 59 1HB LYS 7 2HB LYS 7 -3.297 5.572 -9.317 60 2HB LYS 7 1HB LYS 7 -2.265 6.091 -10.642 61 1HG LYS 7 2HG LYS 7 -1.912 3.281 -9.999 62 2HG LYS 7 1HG LYS 7 -3.575 3.678 -10.437 63 1HD LYS 7 2HD LYS 7 -1.326 4.711 -12.109 64 2HD LYS 7 1HD LYS 7 -1.838 3.030 -12.284 65 1HE LYS 7 2HE LYS 7 -3.408 3.765 -13.680 66 2HE LYS 7 1HE LYS 7 -4.210 4.471 -12.277 67 1HZ LYS 7 1HZ LYS 7 -2.066 6.042 -13.456 68 2HZ LYS 7 2HZ LYS 7 -3.557 6.540 -12.835 69 3HZ LYS 7 3HZ LYS 7 -3.467 5.884 -14.391 70 H GLY 8 H GLY 8 0.598 3.714 -8.477 71 1HA GLY 8 2HA GLY 8 2.130 4.395 -10.888 72 2HA GLY 8 1HA GLY 8 2.943 4.460 -9.332 73 H ILE 9 H ILE 9 3.816 2.807 -11.404 74 HA ILE 9 HA ILE 9 3.106 0.141 -10.369 75 HB ILE 9 HB ILE 9 2.466 0.528 -12.749 76 1HG1 ILE 9 2HG1 ILE 9 4.577 -1.581 -12.250 77 2HG1 ILE 9 1HG1 ILE 9 2.863 -1.728 -11.877 78 1HG2 ILE 9 1HG2 ILE 9 5.429 0.523 -13.282 79 2HG2 ILE 9 2HG2 ILE 9 4.418 1.968 -13.304 80 3HG2 ILE 9 3HG2 ILE 9 4.129 0.671 -14.463 81 1HD1 ILE 9 1HD1 ILE 9 2.612 -1.221 -14.446 82 2HD1 ILE 9 2HD1 ILE 9 2.949 -2.847 -13.854 83 3HD1 ILE 9 3HD1 ILE 9 4.257 -1.851 -14.492 84 H PHE 10 H PHE 10 4.618 -0.905 -9.343 85 HA PHE 10 HA PHE 10 7.456 -0.148 -9.718 86 1HB PHE 10 2HB PHE 10 5.796 -0.801 -7.341 87 2HB PHE 10 1HB PHE 10 7.428 -1.451 -7.345 88 HD1 PHE 10 HD1 PHE 10 8.379 -0.216 -5.617 89 HD2 PHE 10 HD2 PHE 10 6.363 1.806 -8.769 90 HE1 PHE 10 HE1 PHE 10 9.208 1.932 -4.762 91 HE2 PHE 10 HE2 PHE 10 7.198 3.963 -7.921 92 HZ PHE 10 HZ PHE 10 8.623 4.025 -5.905 93 H THR 11 H THR 11 8.449 -1.695 -10.956 94 HA THR 11 HA THR 11 7.462 -4.363 -11.171 95 HB THR 11 HB THR 11 10.131 -4.367 -12.020 96 HG1 THR 11 HG1 THR 11 10.162 -2.472 -13.325 97 1HG2 THR 11 1HG2 THR 11 8.442 -5.443 -13.292 98 2HG2 THR 11 2HG2 THR 11 9.162 -4.189 -14.301 99 3HG2 THR 11 3HG2 THR 11 7.588 -3.922 -13.550 100 H LEU 12 H LEU 12 7.687 -5.926 -9.710 101 HA LEU 12 HA LEU 12 8.656 -5.958 -7.282 102 1HB LEU 12 2HB LEU 12 7.903 -7.940 -8.913 103 2HB LEU 12 1HB LEU 12 9.606 -8.333 -8.763 104 HG LEU 12 HG LEU 12 9.280 -8.267 -6.251 105 1HD1 LEU 12 1HD1 LEU 12 7.342 -7.225 -5.716 106 2HD1 LEU 12 2HD1 LEU 12 6.723 -8.874 -5.815 107 3HD1 LEU 12 3HD1 LEU 12 6.514 -7.770 -7.174 108 1HD2 LEU 12 1HD2 LEU 12 7.714 -10.478 -6.548 109 2HD2 LEU 12 2HD2 LEU 12 9.460 -10.434 -6.789 110 3HD2 LEU 12 3HD2 LEU 12 8.375 -10.285 -8.172 111 H LYS 13 H LYS 13 10.884 -6.524 -10.017 112 HA LYS 13 HA LYS 13 13.131 -6.227 -8.164 113 1HB LYS 13 2HB LYS 13 13.553 -6.905 -11.036 114 2HB LYS 13 1HB LYS 13 14.449 -7.428 -9.619 115 1HG LYS 13 2HG LYS 13 11.810 -8.455 -10.616 116 2HG LYS 13 1HG LYS 13 13.334 -9.325 -10.485 117 1HD LYS 13 2HD LYS 13 13.204 -9.015 -8.003 118 2HD LYS 13 1HD LYS 13 11.590 -8.349 -8.225 119 1HE LYS 13 2HE LYS 13 12.550 -11.149 -8.697 120 2HE LYS 13 1HE LYS 13 11.218 -10.591 -7.690 121 1HZ LYS 13 1HZ LYS 13 10.517 -11.664 -9.790 122 2HZ LYS 13 2HZ LYS 13 11.242 -10.405 -10.653 123 3HZ LYS 13 3HZ LYS 13 9.941 -10.082 -9.621 124 H ASP 14 H ASP 14 11.941 -4.972 -11.272 125 HA ASP 14 HA ASP 14 13.888 -2.795 -11.160 126 1HB ASP 14 2HB ASP 14 12.053 -3.861 -13.283 127 2HB ASP 14 1HB ASP 14 12.729 -2.242 -13.432 128 H LEU 15 H LEU 15 11.889 -2.760 -9.176 129 HA LEU 15 HA LEU 15 9.874 -0.849 -9.972 130 1HB LEU 15 2HB LEU 15 9.246 -0.930 -7.548 131 2HB LEU 15 1HB LEU 15 9.123 -2.446 -8.411 132 HG LEU 15 HG LEU 15 11.480 -2.927 -7.428 133 1HD1 LEU 15 1HD1 LEU 15 10.740 -0.423 -6.113 134 2HD1 LEU 15 2HD1 LEU 15 12.318 -1.189 -6.297 135 3HD1 LEU 15 3HD1 LEU 15 11.233 -1.702 -5.004 136 1HD2 LEU 15 1HD2 LEU 15 9.128 -3.863 -6.818 137 2HD2 LEU 15 2HD2 LEU 15 9.320 -2.877 -5.367 138 3HD2 LEU 15 3HD2 LEU 15 10.493 -4.142 -5.737 139 HA PRO 16 HA PRO 16 12.665 1.895 -7.262 140 1HB PRO 16 2HB PRO 16 15.312 1.531 -7.434 141 2HB PRO 16 1HB PRO 16 14.321 0.612 -6.304 142 1HG PRO 16 2HG PRO 16 15.473 -0.216 -8.919 143 2HG PRO 16 1HG PRO 16 15.277 -1.155 -7.430 144 1HD PRO 16 2HD PRO 16 13.600 -1.264 -9.628 145 2HD PRO 16 1HD PRO 16 13.170 -1.796 -7.993 146 H GLU 17 H GLU 17 11.734 2.352 -9.718 147 HA GLU 17 HA GLU 17 13.062 3.036 -11.897 148 1HB GLU 17 2HB GLU 17 11.521 4.804 -12.291 149 2HB GLU 17 1HB GLU 17 10.673 3.594 -11.338 150 1HG GLU 17 2HG GLU 17 11.898 6.119 -10.246 151 2HG GLU 17 1HG GLU 17 10.189 5.886 -10.612 152 H GLU 18 H GLU 18 13.399 4.770 -8.849 153 HA GLU 18 HA GLU 18 15.213 6.694 -10.030 154 1HB GLU 18 2HB GLU 18 13.544 7.351 -8.290 155 2HB GLU 18 1HB GLU 18 14.438 6.372 -7.136 156 1HG GLU 18 2HG GLU 18 16.126 8.271 -8.548 157 2HG GLU 18 1HG GLU 18 14.823 9.043 -7.647 158 H PHE 19 H PHE 19 15.361 4.431 -7.337 159 HA PHE 19 HA PHE 19 17.859 3.341 -8.083 160 1HB PHE 19 2HB PHE 19 18.421 5.720 -7.197 161 2HB PHE 19 1HB PHE 19 18.110 5.024 -5.609 162 HD1 PHE 19 HD1 PHE 19 19.855 3.812 -8.677 163 HD2 PHE 19 HD2 PHE 19 20.066 4.584 -4.498 164 HE1 PHE 19 HE1 PHE 19 22.141 2.905 -8.630 165 HE2 PHE 19 HE2 PHE 19 22.355 3.681 -4.443 166 HZ PHE 19 HZ PHE 19 23.394 2.839 -6.512 167 H ARG 20 H ARG 20 16.210 4.204 -5.037 168 HA ARG 20 HA ARG 20 15.552 1.445 -4.522 169 1HB ARG 20 2HB ARG 20 16.727 1.599 -2.222 170 2HB ARG 20 1HB ARG 20 17.691 1.204 -3.637 171 1HG ARG 20 2HG ARG 20 18.915 3.069 -3.475 172 2HG ARG 20 1HG ARG 20 17.517 4.069 -3.077 173 1HD ARG 20 2HD ARG 20 18.553 4.188 -1.069 174 2HD ARG 20 1HD ARG 20 17.706 2.664 -0.806 175 HE ARG 20 HE ARG 20 20.053 1.886 -1.902 176 1HH1 ARG 20 2HH1 ARG 20 19.247 3.945 0.800 177 2HH1 ARG 20 1HH1 ARG 20 20.688 3.564 1.680 178 1HH2 ARG 20 1HH2 ARG 20 21.951 1.387 -0.746 179 2HH2 ARG 20 2HH2 ARG 20 22.224 2.112 0.804 180 HA PRO 21 HA PRO 21 12.486 4.286 -2.687 181 1HB PRO 21 2HB PRO 21 10.326 2.779 -3.225 182 2HB PRO 21 1HB PRO 21 11.113 3.751 -4.473 183 1HG PRO 21 2HG PRO 21 11.372 0.821 -3.912 184 2HG PRO 21 1HG PRO 21 11.180 1.649 -5.469 185 1HD PRO 21 2HD PRO 21 13.585 0.791 -4.510 186 2HD PRO 21 1HD PRO 21 13.407 2.181 -5.596 187 H PHE 22 H PHE 22 10.261 3.124 -1.478 188 HA PHE 22 HA PHE 22 11.476 2.042 0.925 189 1HB PHE 22 2HB PHE 22 9.424 2.587 2.008 190 2HB PHE 22 1HB PHE 22 9.783 3.918 0.916 191 HD1 PHE 22 HD1 PHE 22 8.538 4.113 -1.230 192 HD2 PHE 22 HD2 PHE 22 7.456 1.308 1.782 193 HE1 PHE 22 HE1 PHE 22 6.316 3.871 -2.259 194 HE2 PHE 22 HE2 PHE 22 5.233 1.060 0.758 195 HZ PHE 22 HZ PHE 22 4.660 2.342 -1.265 196 H VAL 23 H VAL 23 10.138 0.751 -1.856 197 HA VAL 23 HA VAL 23 9.047 -1.593 -0.474 198 HB VAL 23 HB VAL 23 8.715 -1.995 -3.226 199 1HG1 VAL 23 1HG1 VAL 23 6.479 -0.789 -1.727 200 2HG1 VAL 23 2HG1 VAL 23 7.224 -2.215 -1.006 201 3HG1 VAL 23 3HG1 VAL 23 6.558 -2.299 -2.636 202 1HG2 VAL 23 1HG2 VAL 23 7.420 0.097 -3.819 203 2HG2 VAL 23 2HG2 VAL 23 9.177 0.242 -3.824 204 3HG2 VAL 23 3HG2 VAL 23 8.243 0.879 -2.470 205 H ASP 24 H ASP 24 11.939 -0.611 -1.845 206 HA ASP 24 HA ASP 24 12.818 -2.794 -3.308 207 1HB ASP 24 2HB ASP 24 14.090 -0.692 -3.085 208 2HB ASP 24 1HB ASP 24 14.455 -1.097 -1.409 209 H TYR 25 H TYR 25 12.217 -2.546 0.082 210 HA TYR 25 HA TYR 25 13.874 -4.685 0.936 211 1HB TYR 25 2HB TYR 25 12.932 -4.380 3.034 212 2HB TYR 25 1HB TYR 25 12.666 -2.799 2.310 213 HD1 TYR 25 HD1 TYR 25 10.494 -1.928 2.102 214 HD2 TYR 25 HD2 TYR 25 11.006 -6.042 3.046 215 HE1 TYR 25 HE1 TYR 25 8.084 -2.116 2.552 216 HE2 TYR 25 HE2 TYR 25 8.596 -6.244 3.499 217 HH TYR 25 HH TYR 25 6.352 -4.068 2.520 218 H LYS 26 H LYS 26 10.651 -4.494 -0.400 219 HA LYS 26 HA LYS 26 9.831 -7.115 0.308 220 1HB LYS 26 2HB LYS 26 8.212 -5.405 -0.334 221 2HB LYS 26 1HB LYS 26 8.908 -5.321 -1.946 222 1HG LYS 26 2HG LYS 26 7.469 -6.865 -2.604 223 2HG LYS 26 1HG LYS 26 8.253 -8.017 -1.522 224 1HD LYS 26 2HD LYS 26 6.287 -6.126 -0.346 225 2HD LYS 26 1HD LYS 26 5.666 -7.444 -1.341 226 1HE LYS 26 2HE LYS 26 7.684 -8.078 0.751 227 2HE LYS 26 1HE LYS 26 6.036 -7.720 1.262 228 1HZ LYS 26 1HZ LYS 26 6.283 -9.592 -0.940 229 2HZ LYS 26 2HZ LYS 26 5.266 -9.635 0.411 230 3HZ LYS 26 3HZ LYS 26 6.872 -10.145 0.547 231 H ALA 27 H ALA 27 11.670 -5.790 -2.365 232 HA ALA 27 HA ALA 27 11.550 -8.157 -3.965 233 1HB ALA 27 1HB ALA 27 13.828 -6.310 -4.323 234 2HB ALA 27 2HB ALA 27 12.217 -5.625 -4.530 235 3HB ALA 27 3HB ALA 27 12.723 -6.998 -5.513 236 H GLY 28 H GLY 28 13.347 -7.242 -1.189 237 1HA GLY 28 2HA GLY 28 14.990 -9.664 -1.516 238 2HA GLY 28 1HA GLY 28 15.760 -8.148 -1.072 239 H LEU 29 H LEU 29 12.584 -9.015 0.122 240 HA LEU 29 HA LEU 29 13.415 -8.685 2.813 241 1HB LEU 29 2HB LEU 29 11.206 -8.804 3.373 242 2HB LEU 29 1HB LEU 29 11.067 -8.389 1.677 243 HG LEU 29 HG LEU 29 11.004 -11.079 1.484 244 1HD1 LEU 29 1HD1 LEU 29 10.038 -10.371 4.228 245 2HD1 LEU 29 2HD1 LEU 29 11.065 -11.710 3.718 246 3HD1 LEU 29 3HD1 LEU 29 9.341 -11.729 3.346 247 1HD2 LEU 29 1HD2 LEU 29 8.686 -9.240 2.066 248 2HD2 LEU 29 2HD2 LEU 29 8.549 -10.853 1.366 249 3HD2 LEU 29 3HD2 LEU 29 9.394 -9.580 0.487 250 H GLU 30 H GLU 30 13.682 -11.308 0.729 251 HA GLU 30 HA GLU 30 14.781 -12.976 2.738 252 1HB GLU 30 2HB GLU 30 12.178 -13.170 2.954 253 2HB GLU 30 1HB GLU 30 12.326 -14.195 1.533 254 1HG GLU 30 2HG GLU 30 13.816 -15.683 2.722 255 2HG GLU 30 1HG GLU 30 13.773 -14.630 4.135 256 H LYS 31 H LYS 31 15.854 -12.056 0.433 257 HA LYS 31 HA LYS 31 17.017 -12.703 -1.409 258 1HB LYS 31 2HB LYS 31 17.577 -14.603 0.197 259 2HB LYS 31 1HB LYS 31 16.364 -15.549 -0.655 260 1HG LYS 31 2HG LYS 31 17.602 -15.389 -2.708 261 2HG LYS 31 1HG LYS 31 18.762 -14.286 -1.965 262 1HD LYS 31 2HD LYS 31 18.309 -16.994 -0.782 263 2HD LYS 31 1HD LYS 31 19.343 -16.815 -2.200 264 1HE LYS 31 2HE LYS 31 21.022 -16.164 -0.904 265 2HE LYS 31 1HE LYS 31 20.061 -14.805 -0.325 266 1HZ LYS 31 1HZ LYS 31 20.893 -16.327 1.440 267 2HZ LYS 31 2HZ LYS 31 19.888 -17.538 0.819 268 3HZ LYS 31 3HZ LYS 31 19.214 -16.118 1.444 269 H LYS 32 H LYS 32 14.461 -11.940 -1.903 270 HA LYS 32 HA LYS 32 12.944 -13.822 -3.388 271 1HB LYS 32 2HB LYS 32 12.776 -11.003 -2.700 272 2HB LYS 32 1HB LYS 32 12.246 -11.302 -4.350 273 1HG LYS 32 2HG LYS 32 11.107 -13.296 -2.677 274 2HG LYS 32 1HG LYS 32 10.832 -11.719 -1.934 275 1HD LYS 32 2HD LYS 32 10.199 -11.101 -4.451 276 2HD LYS 32 1HD LYS 32 9.818 -12.824 -4.494 277 1HE LYS 32 2HE LYS 32 7.831 -12.229 -3.655 278 2HE LYS 32 1HE LYS 32 8.689 -12.029 -2.128 279 1HZ LYS 32 1HZ LYS 32 9.095 -9.678 -2.829 280 2HZ LYS 32 2HZ LYS 32 7.477 -10.055 -2.510 281 3HZ LYS 32 3HZ LYS 32 8.017 -9.929 -4.109 282 H LYS 33 H LYS 33 15.801 -12.147 -4.122 283 HA LYS 33 HA LYS 33 16.976 -11.736 -6.026 284 1HB LYS 33 2HB LYS 33 17.181 -13.596 -7.527 285 2HB LYS 33 1HB LYS 33 16.993 -14.222 -5.895 286 1HG LYS 33 2HG LYS 33 14.772 -14.899 -6.304 287 2HG LYS 33 1HG LYS 33 14.689 -13.976 -7.806 288 1HD LYS 33 2HD LYS 33 15.105 -16.002 -8.727 289 2HD LYS 33 1HD LYS 33 16.777 -15.567 -8.369 290 1HE LYS 33 2HE LYS 33 16.196 -16.674 -6.043 291 2HE LYS 33 1HE LYS 33 14.979 -17.509 -7.008 292 1HZ LYS 33 1HZ LYS 33 17.479 -18.369 -6.719 293 2HZ LYS 33 2HZ LYS 33 17.653 -17.457 -8.132 294 3HZ LYS 33 3HZ LYS 33 16.527 -18.717 -8.073 295 H LEU 34 H LEU 34 16.691 -11.936 -8.646 296 HA LEU 34 HA LEU 34 14.201 -10.482 -9.240 297 1HB LEU 34 2HB LEU 34 16.639 -10.103 -10.911 298 2HB LEU 34 1HB LEU 34 15.314 -8.997 -10.608 299 HG LEU 34 HG LEU 34 17.231 -8.076 -9.564 300 1HD1 LEU 34 1HD1 LEU 34 15.124 -9.195 -7.842 301 2HD1 LEU 34 2HD1 LEU 34 15.671 -7.532 -8.042 302 3HD1 LEU 34 3HD1 LEU 34 16.578 -8.640 -7.014 303 1HD2 LEU 34 1HD2 LEU 34 18.255 -10.536 -9.449 304 2HD2 LEU 34 2HD2 LEU 34 17.737 -10.374 -7.772 305 3HD2 LEU 34 3HD2 LEU 34 18.859 -9.204 -8.464 306 H SER 35 H SER 35 12.867 -11.545 -10.549 307 HA SER 35 HA SER 35 13.956 -13.666 -12.248 308 1HB SER 35 2HB SER 35 12.228 -14.475 -10.824 309 2HB SER 35 1HB SER 35 11.170 -13.119 -11.222 310 HG SER 35 HG SER 35 12.053 -15.052 -13.102 311 H ASP 36 H ASP 36 10.898 -12.032 -12.876 312 HA ASP 36 HA ASP 36 11.726 -10.272 -14.882 313 1HB ASP 36 2HB ASP 36 12.221 -12.758 -15.773 314 2HB ASP 36 1HB ASP 36 10.541 -12.605 -16.281 315 H ASP 37 H ASP 37 9.256 -12.345 -13.548 316 HA ASP 37 HA ASP 37 7.105 -10.876 -14.839 317 1HB ASP 37 2HB ASP 37 7.288 -13.322 -13.132 318 2HB ASP 37 1HB ASP 37 5.757 -12.455 -13.194 319 H ASP 38 H ASP 38 9.008 -9.703 -12.832 320 HA ASP 38 HA ASP 38 7.908 -9.219 -10.364 321 1HB ASP 38 2HB ASP 38 9.163 -6.977 -10.608 322 2HB ASP 38 1HB ASP 38 10.085 -8.466 -10.674 323 H GLU 39 H GLU 39 5.682 -8.884 -10.370 324 HA GLU 39 HA GLU 39 4.841 -6.282 -11.461 325 1HB GLU 39 2HB GLU 39 3.149 -8.781 -11.319 326 2HB GLU 39 1HB GLU 39 2.644 -7.219 -11.947 327 1HG GLU 39 2HG GLU 39 5.015 -8.556 -13.147 328 2HG GLU 39 1HG GLU 39 3.399 -9.137 -13.553 329 H ILE 40 H ILE 40 4.848 -5.065 -9.648 330 HA ILE 40 HA ILE 40 2.915 -5.774 -7.574 331 HB ILE 40 HB ILE 40 4.958 -6.575 -6.601 332 1HG1 ILE 40 2HG1 ILE 40 4.230 -3.863 -5.470 333 2HG1 ILE 40 1HG1 ILE 40 3.472 -5.399 -5.067 334 1HG2 ILE 40 1HG2 ILE 40 6.429 -5.198 -8.115 335 2HG2 ILE 40 2HG2 ILE 40 6.975 -5.361 -6.445 336 3HG2 ILE 40 3HG2 ILE 40 6.203 -3.868 -6.979 337 1HD1 ILE 40 1HD1 ILE 40 5.755 -6.138 -4.251 338 2HD1 ILE 40 2HD1 ILE 40 4.921 -4.917 -3.291 339 3HD1 ILE 40 3HD1 ILE 40 6.228 -4.445 -4.377 340 H ALA 41 H ALA 41 1.529 -4.134 -7.905 341 HA ALA 41 HA ALA 41 2.527 -1.446 -8.410 342 1HB ALA 41 1HB ALA 41 0.456 -2.736 -9.488 343 2HB ALA 41 2HB ALA 41 0.516 -0.980 -9.338 344 3HB ALA 41 3HB ALA 41 -0.377 -1.937 -8.156 345 H ILE 42 H ILE 42 1.637 0.398 -7.255 346 HA ILE 42 HA ILE 42 0.756 -0.158 -4.513 347 HB ILE 42 HB ILE 42 2.958 1.814 -5.126 348 1HG1 ILE 42 2HG1 ILE 42 3.325 -0.792 -3.664 349 2HG1 ILE 42 1HG1 ILE 42 3.516 -0.691 -5.411 350 1HG2 ILE 42 1HG2 ILE 42 1.536 2.314 -3.174 351 2HG2 ILE 42 2HG2 ILE 42 3.205 1.960 -2.727 352 3HG2 ILE 42 3HG2 ILE 42 1.953 0.740 -2.495 353 1HD1 ILE 42 1HD1 ILE 42 5.224 0.376 -3.247 354 2HD1 ILE 42 2HD1 ILE 42 5.115 1.306 -4.742 355 3HD1 ILE 42 3HD1 ILE 42 5.665 -0.370 -4.783 356 H ILE 43 H ILE 43 -0.628 1.374 -3.665 357 HA ILE 43 HA ILE 43 -1.063 3.840 -5.176 358 HB ILE 43 HB ILE 43 -3.629 3.310 -4.743 359 1HG1 ILE 43 2HG1 ILE 43 -2.959 1.036 -3.772 360 2HG1 ILE 43 1HG1 ILE 43 -4.241 1.041 -4.976 361 1HG2 ILE 43 1HG2 ILE 43 -1.894 2.546 -7.060 362 2HG2 ILE 43 2HG2 ILE 43 -2.965 3.935 -6.879 363 3HG2 ILE 43 3HG2 ILE 43 -3.642 2.324 -7.115 364 1HD1 ILE 43 1HD1 ILE 43 -1.855 -0.446 -4.968 365 2HD1 ILE 43 2HD1 ILE 43 -1.739 0.708 -6.296 366 3HD1 ILE 43 3HD1 ILE 43 -3.108 -0.398 -6.208 367 H SER 44 H SER 44 -2.292 5.443 -4.042 368 HA SER 44 HA SER 44 -2.562 5.013 -1.150 369 1HB SER 44 2HB SER 44 -1.373 6.958 -0.587 370 2HB SER 44 1HB SER 44 -0.392 6.230 -1.859 371 HG SER 44 HG SER 44 -1.063 8.619 -1.916 372 H ILE 45 H ILE 45 -4.222 6.155 -0.157 373 HA ILE 45 HA ILE 45 -5.991 7.655 -1.981 374 HB ILE 45 HB ILE 45 -6.917 6.097 0.428 375 1HG1 ILE 45 2HG1 ILE 45 -7.559 5.088 -2.273 376 2HG1 ILE 45 1HG1 ILE 45 -5.880 4.899 -1.779 377 1HG2 ILE 45 1HG2 ILE 45 -8.878 6.465 -1.619 378 2HG2 ILE 45 2HG2 ILE 45 -8.155 8.023 -1.214 379 3HG2 ILE 45 3HG2 ILE 45 -8.890 7.036 0.050 380 1HD1 ILE 45 1HD1 ILE 45 -6.617 3.716 0.231 381 2HD1 ILE 45 2HD1 ILE 45 -7.163 2.921 -1.244 382 3HD1 ILE 45 3HD1 ILE 45 -8.292 3.885 -0.293 383 H LYS 46 H LYS 46 -3.823 8.408 0.119 384 HA LYS 46 HA LYS 46 -3.472 10.058 1.648 385 1HB LYS 46 2HB LYS 46 -4.581 11.309 -0.289 386 2HB LYS 46 1HB LYS 46 -6.051 11.277 0.674 387 1HG LYS 46 2HG LYS 46 -4.948 13.387 0.974 388 2HG LYS 46 1HG LYS 46 -4.857 12.468 2.478 389 1HD LYS 46 2HD LYS 46 -2.660 12.844 2.450 390 2HD LYS 46 1HD LYS 46 -2.569 11.736 1.081 391 1HE LYS 46 2HE LYS 46 -3.259 13.913 -0.257 392 2HE LYS 46 1HE LYS 46 -2.524 14.709 1.134 393 1HZ LYS 46 1HZ LYS 46 -0.732 14.462 -0.242 394 2HZ LYS 46 2HZ LYS 46 -1.277 13.005 -0.905 395 3HZ LYS 46 3HZ LYS 46 -0.610 13.030 0.649 396 H GLY 47 H GLY 47 -5.056 7.729 2.444 397 1HA GLY 47 2HA GLY 47 -6.973 8.830 4.356 398 2HA GLY 47 1HA GLY 47 -6.733 7.128 3.992 399 H THR 48 H THR 48 -4.271 9.512 4.858 400 HA THR 48 HA THR 48 -2.736 9.571 6.529 401 HB THR 48 HB THR 48 -3.520 9.365 8.742 402 HG1 THR 48 HG1 THR 48 -5.400 8.127 9.228 403 1HG2 THR 48 1HG2 THR 48 -4.732 11.147 7.838 404 2HG2 THR 48 2HG2 THR 48 -5.925 10.163 8.685 405 3HG2 THR 48 3HG2 THR 48 -5.796 10.076 6.929 406 H GLN 49 H GLN 49 -3.131 7.050 4.858 407 HA GLN 49 HA GLN 49 -1.163 5.484 6.270 408 1HB GLN 49 2HB GLN 49 -3.863 4.808 6.592 409 2HB GLN 49 1HB GLN 49 -3.237 3.653 5.423 410 1HG GLN 49 2HG GLN 49 -1.460 3.036 6.970 411 2HG GLN 49 1HG GLN 49 -2.065 4.208 8.140 412 1HE2 GLN 49 1HE2 GLN 49 -2.263 2.444 9.612 413 2HE2 GLN 49 2HE2 GLN 49 -3.625 1.383 9.526 414 H SER 50 H SER 50 -1.731 6.953 3.640 415 HA SER 50 HA SER 50 -1.427 6.681 1.387 416 1HB SER 50 2HB SER 50 0.865 6.386 2.549 417 2HB SER 50 1HB SER 50 0.689 4.679 2.138 418 HG SER 50 HG SER 50 1.131 6.875 0.494 419 H ASN 51 H ASN 51 -3.423 4.895 2.478 420 HA ASN 51 HA ASN 51 -4.689 3.114 1.864 421 1HB ASN 51 2HB ASN 51 -4.598 4.199 -0.334 422 2HB ASN 51 1HB ASN 51 -3.111 3.336 -0.701 423 1HD2 ASN 51 1HD2 ASN 51 -3.756 2.119 -2.371 424 2HD2 ASN 51 2HD2 ASN 51 -5.010 0.932 -2.296 425 H HIS 52 H HIS 52 -2.585 1.553 -0.306 426 HA HIS 52 HA HIS 52 -0.949 0.159 1.519 427 1HB HIS 52 2HB HIS 52 -2.423 -2.063 0.731 428 2HB HIS 52 1HB HIS 52 -2.373 -1.359 2.339 429 HD1 HIS 52 HD1 HIS 52 -4.412 0.071 3.068 430 HD2 HIS 52 HD2 HIS 52 -4.794 -1.687 -0.678 431 HE1 HIS 52 HE1 HIS 52 -6.851 0.255 2.485 432 HE2 HIS 52 HE2 HIS 52 -7.043 -0.737 0.177 433 H VAL 53 H VAL 53 -0.148 -1.991 0.430 434 HA VAL 53 HA VAL 53 0.488 -1.286 -2.346 435 HB VAL 53 HB VAL 53 2.408 -1.578 -0.852 436 1HG1 VAL 53 1HG1 VAL 53 1.352 -4.378 -0.491 437 2HG1 VAL 53 2HG1 VAL 53 1.493 -3.130 0.747 438 3HG1 VAL 53 3HG1 VAL 53 2.945 -3.828 0.029 439 1HG2 VAL 53 1HG2 VAL 53 2.244 -2.442 -3.353 440 2HG2 VAL 53 2HG2 VAL 53 2.563 -3.993 -2.574 441 3HG2 VAL 53 3HG2 VAL 53 3.702 -2.659 -2.385 442 H LEU 54 H LEU 54 0.421 -2.872 -4.003 443 HA LEU 54 HA LEU 54 -1.292 -5.189 -3.379 444 1HB LEU 54 2HB LEU 54 -2.186 -3.171 -4.815 445 2HB LEU 54 1HB LEU 54 -1.279 -3.954 -6.096 446 HG LEU 54 HG LEU 54 -3.669 -4.580 -6.083 447 1HD1 LEU 54 1HD1 LEU 54 -2.082 -7.007 -5.341 448 2HD1 LEU 54 2HD1 LEU 54 -1.721 -6.102 -6.811 449 3HD1 LEU 54 3HD1 LEU 54 -3.316 -6.819 -6.586 450 1HD2 LEU 54 1HD2 LEU 54 -3.750 -4.487 -3.512 451 2HD2 LEU 54 2HD2 LEU 54 -3.148 -6.143 -3.581 452 3HD2 LEU 54 3HD2 LEU 54 -4.688 -5.732 -4.337 453 H PHE 55 H PHE 55 -0.485 -7.113 -3.859 454 HA PHE 55 HA PHE 55 2.013 -7.266 -5.363 455 1HB PHE 55 2HB PHE 55 1.549 -8.397 -3.071 456 2HB PHE 55 1HB PHE 55 0.660 -9.589 -4.012 457 HD1 PHE 55 HD1 PHE 55 3.963 -8.186 -3.283 458 HD2 PHE 55 HD2 PHE 55 1.801 -11.151 -5.437 459 HE1 PHE 55 HE1 PHE 55 6.066 -9.377 -3.746 460 HE2 PHE 55 HE2 PHE 55 3.899 -12.348 -5.903 461 HZ PHE 55 HZ PHE 55 6.035 -11.462 -5.056 462 H LEU 56 H LEU 56 1.802 -7.492 -7.505 463 HA LEU 56 HA LEU 56 -0.490 -8.951 -8.580 464 1HB LEU 56 2HB LEU 56 1.560 -7.709 -10.346 465 2HB LEU 56 1HB LEU 56 -0.168 -7.856 -10.579 466 HG LEU 56 HG LEU 56 0.729 -6.060 -8.392 467 1HD1 LEU 56 1HD1 LEU 56 1.600 -5.757 -11.158 468 2HD1 LEU 56 2HD1 LEU 56 2.140 -4.925 -9.699 469 3HD1 LEU 56 3HD1 LEU 56 0.700 -4.368 -10.551 470 1HD2 LEU 56 1HD2 LEU 56 -1.658 -6.524 -9.041 471 2HD2 LEU 56 2HD2 LEU 56 -1.332 -5.667 -10.549 472 3HD2 LEU 56 3HD2 LEU 56 -1.197 -4.822 -9.007 473 H SER 57 H SER 57 -0.282 -10.698 -10.008 474 HA SER 57 HA SER 57 2.211 -12.200 -9.664 475 1HB SER 57 2HB SER 57 0.133 -13.320 -8.961 476 2HB SER 57 1HB SER 57 -0.511 -13.147 -10.593 477 HG SER 57 HG SER 57 1.211 -14.463 -11.325 478 H SER 58 H SER 58 0.088 -10.847 -12.089 479 HA SER 58 HA SER 58 2.101 -10.694 -14.044 480 1HB SER 58 2HB SER 58 1.147 -13.259 -13.894 481 2HB SER 58 1HB SER 58 0.114 -12.566 -15.143 482 HG SER 58 HG SER 58 2.162 -11.802 -16.098 483 H TYR 59 H TYR 59 1.223 -9.946 -16.169 484 HA TYR 59 HA TYR 59 -1.413 -8.676 -15.839 485 1HB TYR 59 2HB TYR 59 0.680 -7.165 -15.640 486 2HB TYR 59 1HB TYR 59 0.817 -7.379 -17.383 487 HD1 TYR 59 HD1 TYR 59 -2.213 -6.941 -15.252 488 HD2 TYR 59 HD2 TYR 59 0.256 -5.324 -18.316 489 HE1 TYR 59 HE1 TYR 59 -3.835 -5.124 -15.592 490 HE2 TYR 59 HE2 TYR 59 -1.357 -3.502 -18.664 491 HH TYR 59 HH TYR 59 -3.917 -2.873 -16.490 492 H ASN 60 H ASN 60 -2.785 -8.764 -17.531 493 HA ASN 60 HA ASN 60 -1.989 -9.229 -20.216 494 1HB ASN 60 2HB ASN 60 -2.643 -11.558 -18.519 495 2HB ASN 60 1HB ASN 60 -3.460 -11.511 -20.079 496 1HD2 ASN 60 1HD2 ASN 60 -1.610 -13.465 -19.362 497 2HD2 ASN 60 2HD2 ASN 60 -0.219 -13.304 -20.373 498 H SER 61 H SER 61 -3.623 -8.749 -21.622 499 HA SER 61 HA SER 61 -5.644 -8.017 -22.372 500 1HB SER 61 2HB SER 61 -6.819 -9.357 -19.925 501 2HB SER 61 1HB SER 61 -7.671 -8.919 -21.404 502 HG SER 61 HG SER 61 -7.036 -10.725 -22.243 503 H VAL 62 H VAL 62 -7.858 -6.969 -21.176 504 HA VAL 62 HA VAL 62 -7.041 -5.128 -19.089 505 HB VAL 62 HB VAL 62 -7.868 -3.152 -20.473 506 1HG1 VAL 62 1HG1 VAL 62 -5.538 -3.436 -19.851 507 2HG1 VAL 62 2HG1 VAL 62 -5.662 -2.799 -21.491 508 3HG1 VAL 62 3HG1 VAL 62 -5.280 -4.500 -21.233 509 1HG2 VAL 62 1HG2 VAL 62 -8.892 -4.209 -22.324 510 2HG2 VAL 62 2HG2 VAL 62 -7.463 -5.190 -22.649 511 3HG2 VAL 62 3HG2 VAL 62 -7.426 -3.453 -22.948 512 H ASP 63 H ASP 63 -8.714 -6.303 -17.991 513 HA ASP 63 HA ASP 63 -11.172 -4.994 -17.905 514 1HB ASP 63 2HB ASP 63 -12.618 -6.939 -18.733 515 2HB ASP 63 1HB ASP 63 -11.838 -5.945 -19.961 516 H GLU 64 H GLU 64 -9.855 -8.291 -17.591 517 HA GLU 64 HA GLU 64 -11.262 -8.670 -15.081 518 1HB GLU 64 2HB GLU 64 -10.350 -10.929 -15.137 519 2HB GLU 64 1HB GLU 64 -11.095 -10.525 -16.678 520 1HG GLU 64 2HG GLU 64 -8.681 -9.858 -17.367 521 2HG GLU 64 1HG GLU 64 -8.211 -10.867 -16.000 522 H ILE 65 H ILE 65 -8.659 -6.930 -15.750 523 HA ILE 65 HA ILE 65 -7.222 -7.764 -13.318 524 HB ILE 65 HB ILE 65 -5.329 -6.319 -14.473 525 1HG1 ILE 65 2HG1 ILE 65 -6.929 -5.881 -16.441 526 2HG1 ILE 65 1HG1 ILE 65 -5.281 -6.358 -16.823 527 1HG2 ILE 65 1HG2 ILE 65 -4.326 -8.370 -15.271 528 2HG2 ILE 65 2HG2 ILE 65 -5.899 -9.168 -15.272 529 3HG2 ILE 65 3HG2 ILE 65 -5.168 -8.658 -13.749 530 1HD1 ILE 65 1HD1 ILE 65 -6.314 -8.759 -16.922 531 2HD1 ILE 65 2HD1 ILE 65 -6.482 -7.649 -18.279 532 3HD1 ILE 65 3HD1 ILE 65 -7.820 -7.875 -17.157 533 H ARG 66 H ARG 66 -8.336 -5.035 -15.260 534 HA ARG 66 HA ARG 66 -7.514 -3.064 -13.345 535 1HB ARG 66 2HB ARG 66 -8.074 -2.910 -15.962 536 2HB ARG 66 1HB ARG 66 -9.642 -2.437 -15.321 537 1HG ARG 66 2HG ARG 66 -8.818 -0.510 -14.358 538 2HG ARG 66 1HG ARG 66 -7.163 -1.121 -14.304 539 1HD ARG 66 2HD ARG 66 -6.887 0.220 -16.093 540 2HD ARG 66 1HD ARG 66 -7.597 -1.137 -16.965 541 HE ARG 66 HE ARG 66 -9.756 0.313 -16.234 542 1HH1 ARG 66 2HH1 ARG 66 -6.782 1.134 -17.866 543 2HH1 ARG 66 1HH1 ARG 66 -7.496 2.412 -18.791 544 1HH2 ARG 66 1HH2 ARG 66 -10.697 1.990 -17.451 545 2HH2 ARG 66 2HH2 ARG 66 -9.720 2.898 -18.556 546 H LYS 67 H LYS 67 -10.506 -4.761 -14.114 547 HA LYS 67 HA LYS 67 -12.276 -3.262 -12.560 548 1HB LYS 67 2HB LYS 67 -12.237 -5.977 -13.719 549 2HB LYS 67 1HB LYS 67 -13.318 -5.762 -12.350 550 1HG LYS 67 2HG LYS 67 -14.442 -3.941 -13.489 551 2HG LYS 67 1HG LYS 67 -13.324 -4.079 -14.847 552 1HD LYS 67 2HD LYS 67 -14.209 -6.133 -15.519 553 2HD LYS 67 1HD LYS 67 -14.972 -6.421 -13.954 554 1HE LYS 67 2HE LYS 67 -16.406 -4.374 -14.472 555 2HE LYS 67 1HE LYS 67 -15.812 -4.522 -16.126 556 1HZ LYS 67 1HZ LYS 67 -18.004 -5.659 -15.510 557 2HZ LYS 67 2HZ LYS 67 -17.042 -6.825 -14.751 558 3HZ LYS 67 3HZ LYS 67 -16.877 -6.545 -16.411 559 H GLU 68 H GLU 68 -10.330 -6.103 -11.683 560 HA GLU 68 HA GLU 68 -11.249 -6.199 -8.995 561 1HB GLU 68 2HB GLU 68 -9.802 -7.876 -10.622 562 2HB GLU 68 1HB GLU 68 -8.583 -7.315 -9.485 563 1HG GLU 68 2HG GLU 68 -11.219 -8.360 -8.531 564 2HG GLU 68 1HG GLU 68 -9.894 -9.449 -8.936 565 H LEU 69 H LEU 69 -8.357 -4.846 -10.538 566 HA LEU 69 HA LEU 69 -7.089 -4.010 -8.162 567 1HB LEU 69 2HB LEU 69 -6.850 -3.262 -11.049 568 2HB LEU 69 1HB LEU 69 -6.022 -2.298 -9.842 569 HG LEU 69 HG LEU 69 -5.643 -5.276 -10.033 570 1HD1 LEU 69 1HD1 LEU 69 -4.078 -5.095 -11.651 571 2HD1 LEU 69 2HD1 LEU 69 -3.592 -3.474 -11.154 572 3HD1 LEU 69 3HD1 LEU 69 -5.052 -3.700 -12.117 573 1HD2 LEU 69 1HD2 LEU 69 -4.949 -3.594 -8.058 574 2HD2 LEU 69 2HD2 LEU 69 -3.535 -3.434 -9.099 575 3HD2 LEU 69 3HD2 LEU 69 -4.010 -5.021 -8.492 576 H GLU 70 H GLU 70 -9.078 -2.189 -10.495 577 HA GLU 70 HA GLU 70 -9.058 0.277 -9.255 578 1HB GLU 70 2HB GLU 70 -10.181 -0.525 -11.474 579 2HB GLU 70 1HB GLU 70 -11.594 -0.778 -10.459 580 1HG GLU 70 2HG GLU 70 -11.199 1.659 -9.704 581 2HG GLU 70 1HG GLU 70 -10.204 1.773 -11.155 582 H GLU 71 H GLU 71 -10.850 -2.606 -8.433 583 HA GLU 71 HA GLU 71 -12.703 -1.464 -6.648 584 1HB GLU 71 2HB GLU 71 -11.745 -4.151 -7.320 585 2HB GLU 71 1HB GLU 71 -12.240 -3.984 -5.640 586 1HG GLU 71 2HG GLU 71 -14.422 -3.697 -6.163 587 2HG GLU 71 1HG GLU 71 -14.068 -2.891 -7.690 588 H ALA 72 H ALA 72 -9.496 -2.900 -6.117 589 HA ALA 72 HA ALA 72 -9.448 -2.539 -3.321 590 1HB ALA 72 1HB ALA 72 -7.812 -3.993 -3.883 591 2HB ALA 72 2HB ALA 72 -6.832 -2.526 -3.923 592 3HB ALA 72 3HB ALA 72 -7.480 -3.195 -5.421 593 H GLY 73 H GLY 73 -8.738 -0.406 -5.990 594 1HA GLY 73 2HA GLY 73 -7.185 1.524 -4.705 595 2HA GLY 73 1HA GLY 73 -8.253 1.835 -6.064 596 H ALA 74 H ALA 74 -10.677 1.832 -5.369 597 HA ALA 74 HA ALA 74 -11.497 2.493 -2.801 598 1HB ALA 74 1HB ALA 74 -10.353 4.443 -2.569 599 2HB ALA 74 2HB ALA 74 -11.787 5.067 -3.386 600 3HB ALA 74 3HB ALA 74 -10.314 4.757 -4.305 601 H LYS 75 H LYS 75 -12.710 1.019 -4.608 602 HA LYS 75 HA LYS 75 -14.759 2.657 -5.898 603 1HB LYS 75 2HB LYS 75 -13.403 0.327 -6.691 604 2HB LYS 75 1HB LYS 75 -15.071 -0.151 -6.407 605 1HG LYS 75 2HG LYS 75 -15.656 1.912 -7.849 606 2HG LYS 75 1HG LYS 75 -13.977 1.804 -8.382 607 1HD LYS 75 2HD LYS 75 -14.321 -0.440 -9.179 608 2HD LYS 75 1HD LYS 75 -15.950 -0.475 -8.501 609 1HE LYS 75 2HE LYS 75 -15.107 1.535 -10.572 610 2HE LYS 75 1HE LYS 75 -15.746 -0.050 -11.003 611 1HZ LYS 75 1HZ LYS 75 -17.416 1.781 -10.930 612 2HZ LYS 75 2HZ LYS 75 -17.185 1.868 -9.258 613 3HZ LYS 75 3HZ LYS 75 -17.795 0.452 -9.954 614 H ILE 76 H ILE 76 -14.938 -0.559 -4.505 615 HA ILE 76 HA ILE 76 -17.545 0.021 -3.406 616 HB ILE 76 HB ILE 76 -15.897 -2.504 -3.183 617 1HG1 ILE 76 2HG1 ILE 76 -18.235 -1.960 -5.014 618 2HG1 ILE 76 1HG1 ILE 76 -16.559 -1.756 -5.514 619 1HG2 ILE 76 1HG2 ILE 76 -17.447 -3.264 -1.790 620 2HG2 ILE 76 2HG2 ILE 76 -18.696 -2.963 -2.998 621 3HG2 ILE 76 3HG2 ILE 76 -18.265 -1.703 -1.843 622 1HD1 ILE 76 1HD1 ILE 76 -16.386 -4.241 -4.617 623 2HD1 ILE 76 2HD1 ILE 76 -16.913 -3.865 -6.258 624 3HD1 ILE 76 3HD1 ILE 76 -18.106 -4.227 -5.009 625 H ASN 77 H ASN 77 -14.958 -1.769 -1.762 626 HA ASN 77 HA ASN 77 -14.394 0.125 0.221 627 1HB ASN 77 2HB ASN 77 -15.632 -1.010 2.129 628 2HB ASN 77 1HB ASN 77 -16.618 -0.055 1.025 629 1HD2 ASN 77 1HD2 ASN 77 -15.491 -3.357 1.598 630 2HD2 ASN 77 2HD2 ASN 77 -16.933 -4.132 1.044 631 H HIS 78 H HIS 78 -13.261 -2.125 -1.406 632 HA HIS 78 HA HIS 78 -11.715 -3.786 -1.223 633 1HB HIS 78 2HB HIS 78 -11.010 -1.720 0.531 634 2HB HIS 78 1HB HIS 78 -10.782 -3.198 1.459 635 HD1 HIS 78 HD1 HIS 78 -9.208 -1.114 -1.078 636 HD2 HIS 78 HD2 HIS 78 -8.952 -5.073 0.158 637 HE1 HIS 78 HE1 HIS 78 -7.043 -1.976 -2.023 638 HE2 HIS 78 HE2 HIS 78 -6.944 -4.393 -1.321 639 H THR 79 H THR 79 -10.842 -5.562 0.341 640 HA THR 79 HA THR 79 -13.087 -6.606 1.933 641 HB THR 79 HB THR 79 -12.549 -8.859 1.174 642 HG1 THR 79 HG1 THR 79 -10.305 -8.462 0.759 643 1HG2 THR 79 1HG2 THR 79 -13.442 -8.803 -0.960 644 2HG2 THR 79 2HG2 THR 79 -12.687 -7.255 -1.342 645 3HG2 THR 79 3HG2 THR 79 -14.049 -7.320 -0.222 646 H THR 80 H THR 80 -10.089 -5.402 2.150 647 HA THR 80 HA THR 80 -8.593 -5.329 3.849 648 HB THR 80 HB THR 80 -9.084 -6.164 5.948 649 HG1 THR 80 HG1 THR 80 -9.657 -8.146 6.291 650 1HG2 THR 80 1HG2 THR 80 -11.239 -5.138 4.560 651 2HG2 THR 80 2HG2 THR 80 -11.093 -5.316 6.308 652 3HG2 THR 80 3HG2 THR 80 -11.876 -6.576 5.355 653 H LEU 81 H LEU 81 -9.453 -8.811 3.716 654 HA LEU 81 HA LEU 81 -6.835 -9.359 2.557 655 1HB LEU 81 2HB LEU 81 -7.688 -10.169 5.298 656 2HB LEU 81 1HB LEU 81 -6.664 -11.251 4.373 657 HG LEU 81 HG LEU 81 -5.967 -8.380 4.990 658 1HD1 LEU 81 1HD1 LEU 81 -4.710 -10.781 6.266 659 2HD1 LEU 81 2HD1 LEU 81 -6.147 -10.029 6.957 660 3HD1 LEU 81 3HD1 LEU 81 -4.662 -9.095 6.777 661 1HD2 LEU 81 1HD2 LEU 81 -3.642 -9.624 4.469 662 2HD2 LEU 81 2HD2 LEU 81 -4.597 -8.790 3.244 663 3HD2 LEU 81 3HD2 LEU 81 -4.719 -10.542 3.416 664 H LYS 82 H LYS 82 -9.948 -9.796 2.170 665 HA LYS 82 HA LYS 82 -10.181 -12.637 1.970 666 1HB LYS 82 2HB LYS 82 -11.884 -10.554 0.599 667 2HB LYS 82 1HB LYS 82 -12.313 -12.228 0.918 668 1HG LYS 82 2HG LYS 82 -12.237 -11.763 3.335 669 2HG LYS 82 1HG LYS 82 -11.892 -10.071 2.974 670 1HD LYS 82 2HD LYS 82 -14.089 -10.439 1.458 671 2HD LYS 82 1HD LYS 82 -14.418 -11.581 2.762 672 1HE LYS 82 2HE LYS 82 -14.109 -9.803 4.405 673 2HE LYS 82 1HE LYS 82 -13.747 -8.660 3.112 674 1HZ LYS 82 1HZ LYS 82 -16.019 -8.409 3.785 675 2HZ LYS 82 2HZ LYS 82 -16.328 -10.058 3.565 676 3HZ LYS 82 3HZ LYS 82 -15.993 -9.075 2.230 677 H ILE 83 H ILE 83 -9.811 -10.034 -0.434 678 HA ILE 83 HA ILE 83 -9.741 -11.581 -2.725 679 HB ILE 83 HB ILE 83 -8.585 -9.797 -3.828 680 1HG1 ILE 83 2HG1 ILE 83 -6.788 -9.518 -2.100 681 2HG1 ILE 83 1HG1 ILE 83 -7.446 -7.997 -2.694 682 1HG2 ILE 83 1HG2 ILE 83 -9.875 -7.820 -2.388 683 2HG2 ILE 83 2HG2 ILE 83 -10.780 -9.281 -1.998 684 3HG2 ILE 83 3HG2 ILE 83 -10.572 -8.797 -3.680 685 1HD1 ILE 83 1HD1 ILE 83 -7.156 -7.813 -0.345 686 2HD1 ILE 83 2HD1 ILE 83 -8.013 -9.327 -0.060 687 3HD1 ILE 83 3HD1 ILE 83 -8.886 -7.919 -0.664 688 H LEU 84 H LEU 84 -7.327 -11.190 -0.261 689 HA LEU 84 HA LEU 84 -5.128 -12.187 -1.754 690 1HB LEU 84 2HB LEU 84 -5.561 -11.147 0.829 691 2HB LEU 84 1HB LEU 84 -4.903 -12.755 1.062 692 HG LEU 84 HG LEU 84 -3.117 -11.944 -0.696 693 1HD1 LEU 84 1HD1 LEU 84 -4.326 -9.793 -1.084 694 2HD1 LEU 84 2HD1 LEU 84 -2.639 -9.605 -0.608 695 3HD1 LEU 84 3HD1 LEU 84 -3.924 -9.332 0.570 696 1HD2 LEU 84 1HD2 LEU 84 -2.367 -12.608 1.407 697 2HD2 LEU 84 2HD2 LEU 84 -3.269 -11.339 2.235 698 3HD2 LEU 84 3HD2 LEU 84 -1.837 -10.929 1.289 699 H GLU 85 H GLU 85 -7.303 -13.689 0.632 700 HA GLU 85 HA GLU 85 -6.208 -16.287 0.308 701 1HB GLU 85 2HB GLU 85 -8.343 -17.032 1.424 702 2HB GLU 85 1HB GLU 85 -7.406 -15.845 2.321 703 1HG GLU 85 2HG GLU 85 -8.900 -14.099 1.732 704 2HG GLU 85 1HG GLU 85 -9.736 -15.125 0.567 705 H GLY 86 H GLY 86 -8.295 -14.382 -1.600 706 1HA GLY 86 2HA GLY 86 -9.613 -16.617 -2.889 707 2HA GLY 86 1HA GLY 86 -9.781 -14.918 -3.307 708 H HIS 87 H HIS 87 -6.939 -14.404 -3.582 709 HA HIS 87 HA HIS 87 -5.591 -16.135 -5.268 710 1HB HIS 87 2HB HIS 87 -6.067 -14.922 -7.493 711 2HB HIS 87 1HB HIS 87 -7.247 -16.098 -6.925 712 HD1 HIS 87 HD1 HIS 87 -6.767 -12.432 -7.481 713 HD2 HIS 87 HD2 HIS 87 -9.738 -15.042 -6.205 714 HE1 HIS 87 HE1 HIS 87 -8.887 -11.079 -7.460 715 HE2 HIS 87 HE2 HIS 87 -10.660 -12.661 -6.623 716 H LEU 88 HN LEU 88 -4.140 -14.996 -3.763 717 HA LEU 88 HA LEU 88 -2.612 -13.045 -5.133 718 1HB LEU 88 2HB LEU 88 -4.740 -11.984 -3.682 719 2HB LEU 88 1HB LEU 88 -3.348 -11.753 -2.640 720 HG LEU 88 HG LEU 88 -2.211 -10.714 -4.702 721 1HD1 LEU 88 1HD1 LEU 88 -3.979 -9.602 -6.183 722 2HD1 LEU 88 2HD1 LEU 88 -5.069 -10.857 -5.595 723 3HD1 LEU 88 3HD1 LEU 88 -3.608 -11.301 -6.476 724 1HD2 LEU 88 1HD2 LEU 88 -3.074 -8.549 -4.166 725 2HD2 LEU 88 2HD2 LEU 88 -3.035 -9.501 -2.682 726 3HD2 LEU 88 3HD2 LEU 88 -4.563 -9.244 -3.524 Start of MODEL 15 1 1H LEU 1 1H LEU 1 -14.127 20.780 -6.996 2 2H LEU 1 2H LEU 1 -13.103 19.792 -7.954 3 3H LEU 1 3H LEU 1 -12.515 21.269 -7.310 4 HA LEU 1 HA LEU 1 -12.583 20.475 -5.146 5 1HB LEU 1 2HB LEU 1 -13.334 18.084 -4.764 6 2HB LEU 1 1HB LEU 1 -14.591 19.261 -5.085 7 HG LEU 1 HG LEU 1 -14.892 17.031 -6.194 8 1HD1 LEU 1 1HD1 LEU 1 -15.560 19.517 -7.060 9 2HD1 LEU 1 2HD1 LEU 1 -16.110 18.010 -7.789 10 3HD1 LEU 1 3HD1 LEU 1 -14.726 18.862 -8.470 11 1HD2 LEU 1 1HD2 LEU 1 -12.791 17.908 -8.143 12 2HD2 LEU 1 2HD2 LEU 1 -13.560 16.331 -7.972 13 3HD2 LEU 1 3HD2 LEU 1 -12.399 16.882 -6.765 14 H PHE 2 H PHE 2 -11.312 18.443 -4.263 15 HA PHE 2 HA PHE 2 -9.280 17.668 -6.245 16 1HB PHE 2 2HB PHE 2 -8.464 18.255 -3.424 17 2HB PHE 2 1HB PHE 2 -7.496 18.289 -4.893 18 HD1 PHE 2 HD1 PHE 2 -7.556 20.225 -6.376 19 HD2 PHE 2 HD2 PHE 2 -9.751 20.156 -2.731 20 HE1 PHE 2 HE1 PHE 2 -7.844 22.665 -6.508 21 HE2 PHE 2 HE2 PHE 2 -10.043 22.596 -2.857 22 HZ PHE 2 HZ PHE 2 -9.090 23.854 -4.748 23 H ILE 3 H ILE 3 -7.954 15.803 -5.537 24 HA ILE 3 HA ILE 3 -8.870 14.145 -3.399 25 HB ILE 3 HB ILE 3 -10.686 13.737 -5.009 26 1HG1 ILE 3 2HG1 ILE 3 -10.419 11.232 -5.120 27 2HG1 ILE 3 1HG1 ILE 3 -8.775 11.445 -4.528 28 1HG2 ILE 3 1HG2 ILE 3 -8.967 12.242 -6.873 29 2HG2 ILE 3 2HG2 ILE 3 -8.833 13.999 -6.949 30 3HG2 ILE 3 3HG2 ILE 3 -10.399 13.223 -7.183 31 1HD1 ILE 3 1HD1 ILE 3 -11.263 12.306 -3.074 32 2HD1 ILE 3 2HD1 ILE 3 -9.606 12.407 -2.476 33 3HD1 ILE 3 3HD1 ILE 3 -10.349 10.832 -2.755 34 H ALA 4 H ALA 4 -7.089 13.194 -2.700 35 HA ALA 4 HA ALA 4 -4.798 12.894 -4.452 36 1HB ALA 4 1HB ALA 4 -4.617 11.850 -1.709 37 2HB ALA 4 2HB ALA 4 -5.007 13.565 -1.837 38 3HB ALA 4 3HB ALA 4 -3.539 12.937 -2.586 39 H THR 5 H THR 5 -5.327 11.220 -5.847 40 HA THR 5 HA THR 5 -5.225 8.557 -4.645 41 HB THR 5 HB THR 5 -6.989 7.815 -6.325 42 HG1 THR 5 HG1 THR 5 -8.121 9.291 -7.362 43 1HG2 THR 5 1HG2 THR 5 -8.789 9.306 -4.866 44 2HG2 THR 5 2HG2 THR 5 -7.389 9.168 -3.801 45 3HG2 THR 5 3HG2 THR 5 -8.154 7.716 -4.445 46 H LEU 6 H LEU 6 -3.411 7.748 -5.472 47 HA LEU 6 HA LEU 6 -3.100 7.729 -8.378 48 1HB LEU 6 2HB LEU 6 -1.639 9.463 -6.773 49 2HB LEU 6 1HB LEU 6 -0.544 8.122 -7.048 50 HG LEU 6 HG LEU 6 -0.135 9.777 -8.726 51 1HD1 LEU 6 1HD1 LEU 6 -1.774 7.758 -10.199 52 2HD1 LEU 6 2HD1 LEU 6 -0.329 7.263 -9.318 53 3HD1 LEU 6 3HD1 LEU 6 -0.206 8.449 -10.618 54 1HD2 LEU 6 1HD2 LEU 6 -1.866 10.562 -10.250 55 2HD2 LEU 6 2HD2 LEU 6 -2.277 10.949 -8.580 56 3HD2 LEU 6 3HD2 LEU 6 -3.071 9.600 -9.393 57 H LYS 7 H LYS 7 -1.975 5.971 -9.191 58 HA LYS 7 HA LYS 7 -1.270 3.898 -7.219 59 1HB LYS 7 2HB LYS 7 -1.891 2.278 -9.100 60 2HB LYS 7 1HB LYS 7 -3.212 3.091 -8.271 61 1HG LYS 7 2HG LYS 7 -3.422 4.671 -10.097 62 2HG LYS 7 1HG LYS 7 -2.048 3.929 -10.919 63 1HD LYS 7 2HD LYS 7 -3.998 3.051 -11.943 64 2HD LYS 7 1HD LYS 7 -3.359 1.772 -10.908 65 1HE LYS 7 2HE LYS 7 -5.016 2.993 -9.175 66 2HE LYS 7 1HE LYS 7 -5.858 3.331 -10.687 67 1HZ LYS 7 1HZ LYS 7 -6.270 1.128 -11.057 68 2HZ LYS 7 2HZ LYS 7 -6.322 1.149 -9.368 69 3HZ LYS 7 3HZ LYS 7 -4.936 0.594 -10.162 70 H GLY 8 H GLY 8 0.920 4.319 -7.174 71 1HA GLY 8 2HA GLY 8 2.570 4.874 -9.349 72 2HA GLY 8 1HA GLY 8 3.106 4.140 -7.846 73 H ILE 9 H ILE 9 4.010 3.619 -10.567 74 HA ILE 9 HA ILE 9 3.309 0.760 -10.733 75 HB ILE 9 HB ILE 9 4.157 2.486 -13.060 76 1HG1 ILE 9 2HG1 ILE 9 1.383 1.401 -12.657 77 2HG1 ILE 9 1HG1 ILE 9 1.846 2.949 -11.956 78 1HG2 ILE 9 1HG2 ILE 9 4.653 0.431 -13.843 79 2HG2 ILE 9 2HG2 ILE 9 2.914 0.342 -14.121 80 3HG2 ILE 9 3HG2 ILE 9 3.614 -0.382 -12.673 81 1HD1 ILE 9 1HD1 ILE 9 0.693 3.070 -14.169 82 2HD1 ILE 9 2HD1 ILE 9 2.117 2.311 -14.879 83 3HD1 ILE 9 3HD1 ILE 9 2.256 3.884 -14.096 84 H PHE 10 H PHE 10 4.950 -0.422 -10.037 85 HA PHE 10 HA PHE 10 7.697 0.512 -10.522 86 1HB PHE 10 2HB PHE 10 6.668 -1.469 -8.476 87 2HB PHE 10 1HB PHE 10 8.347 -0.978 -8.663 88 HD1 PHE 10 HD1 PHE 10 5.052 0.774 -8.376 89 HD2 PHE 10 HD2 PHE 10 9.078 0.449 -7.033 90 HE1 PHE 10 HE1 PHE 10 4.680 2.643 -6.824 91 HE2 PHE 10 HE2 PHE 10 8.706 2.319 -5.474 92 HZ PHE 10 HZ PHE 10 6.508 3.416 -5.369 93 H THR 11 H THR 11 8.592 -0.416 -12.252 94 HA THR 11 HA THR 11 7.804 -3.152 -12.961 95 HB THR 11 HB THR 11 8.750 -2.658 -15.175 96 HG1 THR 11 HG1 THR 11 9.246 -0.078 -14.109 97 1HG2 THR 11 1HG2 THR 11 7.286 -0.537 -15.657 98 2HG2 THR 11 2HG2 THR 11 6.665 -0.878 -14.042 99 3HG2 THR 11 3HG2 THR 11 6.549 -2.100 -15.308 100 H LEU 12 H LEU 12 9.084 -4.762 -12.498 101 HA LEU 12 HA LEU 12 10.913 -5.998 -11.971 102 1HB LEU 12 2HB LEU 12 11.535 -4.547 -14.255 103 2HB LEU 12 1HB LEU 12 12.916 -4.284 -13.207 104 HG LEU 12 HG LEU 12 12.207 -7.080 -13.221 105 1HD1 LEU 12 1HD1 LEU 12 12.223 -5.683 -15.824 106 2HD1 LEU 12 2HD1 LEU 12 11.431 -7.183 -15.342 107 3HD1 LEU 12 3HD1 LEU 12 13.154 -7.177 -15.720 108 1HD2 LEU 12 1HD2 LEU 12 14.678 -5.959 -14.455 109 2HD2 LEU 12 2HD2 LEU 12 14.476 -7.371 -13.421 110 3HD2 LEU 12 3HD2 LEU 12 14.411 -5.752 -12.725 111 H LYS 13 H LYS 13 12.333 -6.178 -10.310 112 HA LYS 13 HA LYS 13 12.410 -4.315 -8.281 113 1HB LYS 13 2HB LYS 13 13.896 -6.755 -8.955 114 2HB LYS 13 1HB LYS 13 14.800 -5.634 -7.944 115 1HG LYS 13 2HG LYS 13 13.692 -7.114 -6.483 116 2HG LYS 13 1HG LYS 13 12.807 -5.589 -6.407 117 1HD LYS 13 2HD LYS 13 11.114 -7.177 -6.567 118 2HD LYS 13 1HD LYS 13 11.308 -6.629 -8.233 119 1HE LYS 13 2HE LYS 13 13.028 -8.883 -7.486 120 2HE LYS 13 1HE LYS 13 11.302 -9.235 -7.427 121 1HZ LYS 13 1HZ LYS 13 12.969 -8.502 -9.730 122 2HZ LYS 13 2HZ LYS 13 11.329 -8.091 -9.746 123 3HZ LYS 13 3HZ LYS 13 11.792 -9.710 -9.596 124 H ASP 14 H ASP 14 14.283 -4.436 -11.190 125 HA ASP 14 HA ASP 14 16.476 -2.855 -10.439 126 1HB ASP 14 2HB ASP 14 15.199 -3.654 -13.000 127 2HB ASP 14 1HB ASP 14 16.264 -2.250 -13.046 128 H LEU 15 H LEU 15 13.335 -1.950 -11.874 129 HA LEU 15 HA LEU 15 13.987 0.855 -11.806 130 1HB LEU 15 2HB LEU 15 12.299 -0.594 -13.319 131 2HB LEU 15 1HB LEU 15 11.172 -0.004 -12.112 132 HG LEU 15 HG LEU 15 12.946 2.037 -13.298 133 1HD1 LEU 15 1HD1 LEU 15 12.212 1.994 -15.428 134 2HD1 LEU 15 2HD1 LEU 15 10.622 1.374 -14.982 135 3HD1 LEU 15 3HD1 LEU 15 11.996 0.275 -15.095 136 1HD2 LEU 15 1HD2 LEU 15 10.925 3.361 -13.210 137 2HD2 LEU 15 2HD2 LEU 15 11.162 2.535 -11.669 138 3HD2 LEU 15 3HD2 LEU 15 9.970 1.929 -12.820 139 HA PRO 16 HA PRO 16 12.374 1.112 -7.606 140 1HB PRO 16 2HB PRO 16 13.911 3.152 -6.809 141 2HB PRO 16 1HB PRO 16 14.566 1.524 -7.009 142 1HG PRO 16 2HG PRO 16 14.945 3.927 -8.685 143 2HG PRO 16 1HG PRO 16 15.996 2.516 -8.488 144 1HD PRO 16 2HD PRO 16 14.134 3.051 -10.601 145 2HD PRO 16 1HD PRO 16 15.162 1.622 -10.389 146 H GLU 17 H GLU 17 10.827 2.132 -9.659 147 HA GLU 17 HA GLU 17 9.144 3.604 -10.052 148 1HB GLU 17 2HB GLU 17 8.287 3.510 -7.925 149 2HB GLU 17 1HB GLU 17 9.769 4.084 -7.178 150 1HG GLU 17 2HG GLU 17 7.857 5.654 -7.008 151 2HG GLU 17 1HG GLU 17 9.284 6.338 -7.786 152 H GLU 18 H GLU 18 11.493 5.517 -8.148 153 HA GLU 18 HA GLU 18 12.298 7.019 -10.429 154 1HB GLU 18 2HB GLU 18 10.011 7.935 -9.890 155 2HB GLU 18 1HB GLU 18 10.692 8.527 -8.381 156 1HG GLU 18 2HG GLU 18 10.752 10.360 -9.817 157 2HG GLU 18 1HG GLU 18 12.404 9.744 -9.818 158 H PHE 19 H PHE 19 12.302 6.578 -6.978 159 HA PHE 19 HA PHE 19 15.080 7.081 -6.795 160 1HB PHE 19 2HB PHE 19 14.610 9.388 -6.943 161 2HB PHE 19 1HB PHE 19 13.209 9.254 -5.886 162 HD1 PHE 19 HD1 PHE 19 13.442 10.095 -3.774 163 HD2 PHE 19 HD2 PHE 19 16.875 8.543 -5.754 164 HE1 PHE 19 HE1 PHE 19 14.834 10.725 -1.846 165 HE2 PHE 19 HE2 PHE 19 18.273 9.169 -3.828 166 HZ PHE 19 HZ PHE 19 17.253 10.261 -1.871 167 H ARG 20 H ARG 20 15.082 5.136 -5.738 168 HA ARG 20 HA ARG 20 14.975 3.670 -3.994 169 1HB ARG 20 2HB ARG 20 16.059 5.863 -3.008 170 2HB ARG 20 1HB ARG 20 14.563 5.931 -2.085 171 1HG ARG 20 2HG ARG 20 15.301 4.401 -0.665 172 2HG ARG 20 1HG ARG 20 15.663 3.283 -1.980 173 1HD ARG 20 2HD ARG 20 17.831 4.264 -2.295 174 2HD ARG 20 1HD ARG 20 17.467 5.546 -1.141 175 HE ARG 20 HE ARG 20 17.949 4.103 0.575 176 1HH1 ARG 20 2HH1 ARG 20 17.624 2.287 -2.388 177 2HH1 ARG 20 1HH1 ARG 20 18.214 0.814 -1.695 178 1HH2 ARG 20 1HH2 ARG 20 18.725 2.165 1.487 179 2HH2 ARG 20 2HH2 ARG 20 18.838 0.744 0.505 180 HA PRO 21 HA PRO 21 10.506 3.597 -3.345 181 1HB PRO 21 2HB PRO 21 10.086 1.099 -4.100 182 2HB PRO 21 1HB PRO 21 10.570 2.310 -5.295 183 1HG PRO 21 2HG PRO 21 12.192 0.159 -4.019 184 2HG PRO 21 1HG PRO 21 12.264 0.790 -5.673 185 1HD PRO 21 2HD PRO 21 13.924 1.528 -3.501 186 2HD PRO 21 1HD PRO 21 13.829 2.323 -5.082 187 H PHE 22 H PHE 22 9.108 2.532 -1.851 188 HA PHE 22 HA PHE 22 10.500 1.487 0.485 189 1HB PHE 22 2HB PHE 22 7.529 1.946 0.238 190 2HB PHE 22 1HB PHE 22 8.505 1.897 1.702 191 HD1 PHE 22 HD1 PHE 22 6.846 3.996 -0.514 192 HD2 PHE 22 HD2 PHE 22 10.445 3.724 1.741 193 HE1 PHE 22 HE1 PHE 22 7.074 6.444 -0.592 194 HE2 PHE 22 HE2 PHE 22 10.679 6.173 1.668 195 HZ PHE 22 HZ PHE 22 8.991 7.535 0.501 196 H VAL 23 H VAL 23 9.626 0.109 -2.241 197 HA VAL 23 HA VAL 23 8.293 -2.236 -1.102 198 HB VAL 23 HB VAL 23 8.874 -1.589 -3.995 199 1HG1 VAL 23 1HG1 VAL 23 8.009 -3.976 -2.707 200 2HG1 VAL 23 2HG1 VAL 23 8.264 -3.671 -4.425 201 3HG1 VAL 23 3HG1 VAL 23 6.690 -3.352 -3.696 202 1HG2 VAL 23 1HG2 VAL 23 6.795 -0.637 -4.217 203 2HG2 VAL 23 2HG2 VAL 23 7.239 -0.099 -2.597 204 3HG2 VAL 23 3HG2 VAL 23 6.144 -1.466 -2.804 205 H ASP 24 H ASP 24 11.357 -1.134 -2.203 206 HA ASP 24 HA ASP 24 12.636 -3.292 -3.236 207 1HB ASP 24 2HB ASP 24 13.633 -1.034 -2.796 208 2HB ASP 24 1HB ASP 24 13.846 -1.512 -1.114 209 H TYR 25 H TYR 25 11.810 -2.813 0.163 210 HA TYR 25 HA TYR 25 13.334 -4.933 1.198 211 1HB TYR 25 2HB TYR 25 12.224 -4.589 3.206 212 2HB TYR 25 1HB TYR 25 12.020 -3.028 2.419 213 HD1 TYR 25 HD1 TYR 25 9.815 -2.523 1.293 214 HD2 TYR 25 HD2 TYR 25 10.363 -5.884 3.841 215 HE1 TYR 25 HE1 TYR 25 7.377 -2.704 1.570 216 HE2 TYR 25 HE2 TYR 25 7.928 -6.078 4.124 217 HH TYR 25 HH TYR 25 5.811 -5.222 2.471 218 H LYS 26 H LYS 26 9.973 -4.841 0.047 219 HA LYS 26 HA LYS 26 9.416 -7.549 0.601 220 1HB LYS 26 2HB LYS 26 7.366 -7.045 -0.165 221 2HB LYS 26 1HB LYS 26 7.958 -5.398 -0.308 222 1HG LYS 26 2HG LYS 26 8.566 -5.859 -2.658 223 2HG LYS 26 1HG LYS 26 7.871 -7.473 -2.490 224 1HD LYS 26 2HD LYS 26 6.376 -4.882 -2.096 225 2HD LYS 26 1HD LYS 26 6.313 -5.884 -3.547 226 1HE LYS 26 2HE LYS 26 5.496 -6.763 -0.780 227 2HE LYS 26 1HE LYS 26 4.388 -6.254 -2.053 228 1HZ LYS 26 1HZ LYS 26 4.507 -8.635 -1.994 229 2HZ LYS 26 2HZ LYS 26 6.193 -8.610 -2.124 230 3HZ LYS 26 3HZ LYS 26 5.237 -8.095 -3.421 231 H ALA 27 H ALA 27 11.194 -5.994 -1.917 232 HA ALA 27 HA ALA 27 11.051 -8.112 -3.825 233 1HB ALA 27 1HB ALA 27 13.285 -6.849 -4.557 234 2HB ALA 27 2HB ALA 27 12.589 -5.600 -3.526 235 3HB ALA 27 3HB ALA 27 11.675 -6.216 -4.903 236 H GLY 28 H GLY 28 12.985 -7.446 -1.009 237 1HA GLY 28 2HA GLY 28 14.364 -10.010 -1.431 238 2HA GLY 28 1HA GLY 28 15.312 -8.580 -1.053 239 H LEU 29 H LEU 29 12.149 -9.413 0.285 240 HA LEU 29 HA LEU 29 13.137 -9.040 2.951 241 1HB LEU 29 2HB LEU 29 10.934 -9.108 3.647 242 2HB LEU 29 1HB LEU 29 10.798 -8.484 2.016 243 HG LEU 29 HG LEU 29 10.203 -11.298 2.930 244 1HD1 LEU 29 1HD1 LEU 29 8.337 -10.077 3.483 245 2HD1 LEU 29 2HD1 LEU 29 7.956 -10.554 1.828 246 3HD1 LEU 29 3HD1 LEU 29 8.561 -8.931 2.162 247 1HD2 LEU 29 1HD2 LEU 29 9.682 -11.853 0.676 248 2HD2 LEU 29 2HD2 LEU 29 11.309 -11.172 0.683 249 3HD2 LEU 29 3HD2 LEU 29 9.946 -10.194 0.142 250 H GLU 30 H GLU 30 13.298 -11.633 0.885 251 HA GLU 30 HA GLU 30 14.069 -13.410 2.996 252 1HB GLU 30 2HB GLU 30 11.558 -13.621 2.924 253 2HB GLU 30 1HB GLU 30 11.724 -14.253 1.291 254 1HG GLU 30 2HG GLU 30 11.648 -16.207 2.429 255 2HG GLU 30 1HG GLU 30 13.386 -15.919 2.492 256 H LYS 31 H LYS 31 15.534 -12.375 0.943 257 HA LYS 31 HA LYS 31 16.983 -12.943 -0.713 258 1HB LYS 31 2HB LYS 31 16.258 -15.672 0.338 259 2HB LYS 31 1HB LYS 31 17.419 -15.455 -0.965 260 1HG LYS 31 2HG LYS 31 18.667 -13.903 0.611 261 2HG LYS 31 1HG LYS 31 17.625 -14.541 1.885 262 1HD LYS 31 2HD LYS 31 18.682 -16.533 1.926 263 2HD LYS 31 1HD LYS 31 18.897 -16.568 0.174 264 1HE LYS 31 2HE LYS 31 20.479 -14.657 1.843 265 2HE LYS 31 1HE LYS 31 20.971 -16.346 1.730 266 1HZ LYS 31 1HZ LYS 31 20.656 -14.440 -0.524 267 2HZ LYS 31 2HZ LYS 31 20.994 -16.087 -0.707 268 3HZ LYS 31 3HZ LYS 31 22.108 -15.077 0.067 269 H LYS 32 H LYS 32 14.495 -12.241 -1.572 270 HA LYS 32 HA LYS 32 13.450 -14.166 -3.433 271 1HB LYS 32 2HB LYS 32 12.754 -11.453 -2.525 272 2HB LYS 32 1HB LYS 32 12.357 -11.787 -4.205 273 1HG LYS 32 2HG LYS 32 11.115 -13.797 -3.468 274 2HG LYS 32 1HG LYS 32 11.439 -13.339 -1.795 275 1HD LYS 32 2HD LYS 32 9.495 -12.228 -1.922 276 2HD LYS 32 1HD LYS 32 10.413 -11.027 -2.832 277 1HE LYS 32 2HE LYS 32 9.774 -12.097 -4.921 278 2HE LYS 32 1HE LYS 32 8.906 -13.347 -4.034 279 1HZ LYS 32 1HZ LYS 32 7.277 -11.842 -3.366 280 2HZ LYS 32 2HZ LYS 32 7.565 -11.422 -4.979 281 3HZ LYS 32 3HZ LYS 32 8.223 -10.488 -3.733 282 H LYS 33 H LYS 33 15.937 -11.803 -3.495 283 HA LYS 33 HA LYS 33 17.402 -11.154 -5.108 284 1HB LYS 33 2HB LYS 33 16.371 -13.723 -6.065 285 2HB LYS 33 1HB LYS 33 16.951 -12.680 -7.357 286 1HG LYS 33 2HG LYS 33 19.103 -12.463 -6.197 287 2HG LYS 33 1HG LYS 33 18.517 -13.550 -4.936 288 1HD LYS 33 2HD LYS 33 19.603 -15.066 -6.249 289 2HD LYS 33 1HD LYS 33 18.022 -15.100 -7.032 290 1HE LYS 33 2HE LYS 33 19.458 -14.868 -8.829 291 2HE LYS 33 1HE LYS 33 18.987 -13.200 -8.505 292 1HZ LYS 33 1HZ LYS 33 21.431 -13.637 -8.870 293 2HZ LYS 33 2HZ LYS 33 21.441 -14.396 -7.358 294 3HZ LYS 33 3HZ LYS 33 21.033 -12.758 -7.479 295 H LEU 34 H LEU 34 17.367 -10.660 -7.694 296 HA LEU 34 HA LEU 34 14.922 -9.070 -8.109 297 1HB LEU 34 2HB LEU 34 17.550 -8.473 -9.426 298 2HB LEU 34 1HB LEU 34 16.188 -7.402 -9.155 299 HG LEU 34 HG LEU 34 16.826 -7.882 -6.603 300 1HD1 LEU 34 1HD1 LEU 34 19.440 -7.672 -6.674 301 2HD1 LEU 34 2HD1 LEU 34 19.252 -8.535 -8.201 302 3HD1 LEU 34 3HD1 LEU 34 18.658 -9.253 -6.704 303 1HD2 LEU 34 1HD2 LEU 34 16.872 -5.744 -8.220 304 2HD2 LEU 34 2HD2 LEU 34 18.600 -5.909 -7.902 305 3HD2 LEU 34 3HD2 LEU 34 17.470 -5.716 -6.561 306 H SER 35 H SER 35 13.694 -10.382 -9.366 307 HA SER 35 HA SER 35 14.879 -11.739 -11.651 308 1HB SER 35 2HB SER 35 12.375 -11.968 -10.106 309 2HB SER 35 1HB SER 35 12.204 -12.247 -11.839 310 HG SER 35 HG SER 35 13.894 -13.800 -11.655 311 H ASP 36 H ASP 36 13.045 -11.714 -13.576 312 HA ASP 36 HA ASP 36 12.693 -8.864 -14.246 313 1HB ASP 36 2HB ASP 36 13.110 -9.455 -16.597 314 2HB ASP 36 1HB ASP 36 14.488 -9.862 -15.579 315 H ASP 37 H ASP 37 10.804 -10.755 -12.996 316 HA ASP 37 HA ASP 37 8.638 -10.428 -14.939 317 1HB ASP 37 2HB ASP 37 9.733 -12.881 -14.579 318 2HB ASP 37 1HB ASP 37 8.498 -12.900 -13.324 319 H ASP 38 H ASP 38 9.677 -9.377 -12.168 320 HA ASP 38 HA ASP 38 7.212 -9.780 -10.637 321 1HB ASP 38 2HB ASP 38 9.813 -9.829 -9.811 322 2HB ASP 38 1HB ASP 38 9.364 -8.168 -9.431 323 H GLU 39 H GLU 39 5.833 -8.140 -10.139 324 HA GLU 39 HA GLU 39 6.539 -5.418 -10.958 325 1HB GLU 39 2HB GLU 39 5.063 -6.903 -12.638 326 2HB GLU 39 1HB GLU 39 3.779 -6.305 -11.596 327 1HG GLU 39 2HG GLU 39 4.504 -4.005 -12.042 328 2HG GLU 39 1HG GLU 39 5.756 -4.624 -13.119 329 H ILE 40 H ILE 40 5.812 -3.870 -9.605 330 HA ILE 40 HA ILE 40 3.881 -4.673 -7.526 331 HB ILE 40 HB ILE 40 6.144 -2.742 -7.051 332 1HG1 ILE 40 2HG1 ILE 40 7.074 -4.960 -7.595 333 2HG1 ILE 40 1HG1 ILE 40 7.326 -4.549 -5.903 334 1HG2 ILE 40 1HG2 ILE 40 3.860 -3.130 -5.643 335 2HG2 ILE 40 2HG2 ILE 40 5.373 -2.545 -4.954 336 3HG2 ILE 40 3HG2 ILE 40 4.954 -4.255 -4.837 337 1HD1 ILE 40 1HD1 ILE 40 5.076 -5.889 -5.609 338 2HD1 ILE 40 2HD1 ILE 40 6.639 -6.701 -5.687 339 3HD1 ILE 40 3HD1 ILE 40 5.609 -6.635 -7.116 340 H ALA 41 H ALA 41 2.348 -3.190 -6.932 341 HA ALA 41 HA ALA 41 2.393 -0.573 -8.271 342 1HB ALA 41 1HB ALA 41 0.369 -2.711 -8.511 343 2HB ALA 41 2HB ALA 41 0.839 -1.456 -9.658 344 3HB ALA 41 3HB ALA 41 -0.243 -1.069 -8.320 345 H ILE 42 H ILE 42 2.385 0.932 -6.743 346 HA ILE 42 HA ILE 42 1.127 0.357 -4.163 347 HB ILE 42 HB ILE 42 2.826 2.747 -4.863 348 1HG1 ILE 42 2HG1 ILE 42 3.679 0.106 -3.655 349 2HG1 ILE 42 1HG1 ILE 42 4.099 0.683 -5.264 350 1HG2 ILE 42 1HG2 ILE 42 3.182 2.261 -2.224 351 2HG2 ILE 42 2HG2 ILE 42 1.513 1.735 -2.438 352 3HG2 ILE 42 3HG2 ILE 42 1.983 3.378 -2.878 353 1HD1 ILE 42 1HD1 ILE 42 5.110 1.558 -2.610 354 2HD1 ILE 42 2HD1 ILE 42 5.089 2.710 -3.946 355 3HD1 ILE 42 3HD1 ILE 42 5.991 1.202 -4.096 356 H ILE 43 H ILE 43 -0.864 1.045 -3.805 357 HA ILE 43 HA ILE 43 -1.815 3.444 -5.230 358 HB ILE 43 HB ILE 43 -3.534 1.255 -4.065 359 1HG1 ILE 43 2HG1 ILE 43 -2.685 1.686 -6.939 360 2HG1 ILE 43 1HG1 ILE 43 -2.142 0.375 -5.896 361 1HG2 ILE 43 1HG2 ILE 43 -5.012 2.461 -5.975 362 2HG2 ILE 43 2HG2 ILE 43 -4.038 3.820 -5.413 363 3HG2 ILE 43 3HG2 ILE 43 -5.036 2.918 -4.272 364 1HD1 ILE 43 1HD1 ILE 43 -4.494 -0.392 -5.737 365 2HD1 ILE 43 2HD1 ILE 43 -3.829 -0.452 -7.369 366 3HD1 ILE 43 3HD1 ILE 43 -4.931 0.847 -6.913 367 H SER 44 H SER 44 -1.343 5.042 -3.786 368 HA SER 44 HA SER 44 -2.318 4.724 -1.034 369 1HB SER 44 2HB SER 44 -0.801 7.123 -1.327 370 2HB SER 44 1HB SER 44 -0.394 5.674 -0.409 371 HG SER 44 HG SER 44 0.968 5.129 -1.911 372 H ILE 45 H ILE 45 -3.489 6.402 -0.031 373 HA ILE 45 HA ILE 45 -4.628 8.459 -1.776 374 HB ILE 45 HB ILE 45 -6.860 7.865 -0.419 375 1HG1 ILE 45 2HG1 ILE 45 -5.422 5.226 -0.770 376 2HG1 ILE 45 1HG1 ILE 45 -5.960 5.938 0.746 377 1HG2 ILE 45 1HG2 ILE 45 -6.483 6.142 -2.780 378 2HG2 ILE 45 2HG2 ILE 45 -6.111 7.852 -3.000 379 3HG2 ILE 45 3HG2 ILE 45 -7.711 7.361 -2.444 380 1HD1 ILE 45 1HD1 ILE 45 -7.815 4.754 0.541 381 2HD1 ILE 45 2HD1 ILE 45 -7.380 4.253 -1.092 382 3HD1 ILE 45 3HD1 ILE 45 -8.248 5.766 -0.836 383 H LYS 46 H LYS 46 -6.303 9.750 -0.193 384 HA LYS 46 HA LYS 46 -4.565 10.832 1.830 385 1HB LYS 46 2HB LYS 46 -6.040 12.649 1.964 386 2HB LYS 46 1HB LYS 46 -6.087 12.172 0.277 387 1HG LYS 46 2HG LYS 46 -8.188 11.856 2.384 388 2HG LYS 46 1HG LYS 46 -8.304 12.603 0.795 389 1HD LYS 46 2HD LYS 46 -8.107 10.400 -0.254 390 2HD LYS 46 1HD LYS 46 -7.996 9.650 1.339 391 1HE LYS 46 2HE LYS 46 -10.263 11.053 1.651 392 2HE LYS 46 1HE LYS 46 -10.334 10.759 -0.086 393 1HZ LYS 46 1HZ LYS 46 -11.217 9.046 1.765 394 2HZ LYS 46 2HZ LYS 46 -9.652 8.451 1.523 395 3HZ LYS 46 3HZ LYS 46 -10.718 8.585 0.215 396 H GLY 47 H GLY 47 -4.884 8.400 2.719 397 1HA GLY 47 2HA GLY 47 -7.159 8.215 4.515 398 2HA GLY 47 1HA GLY 47 -5.901 7.007 4.294 399 H THR 48 H THR 48 -4.716 10.167 4.765 400 HA THR 48 HA THR 48 -3.547 11.144 6.443 401 HB THR 48 HB THR 48 -4.593 11.316 8.544 402 HG1 THR 48 HG1 THR 48 -4.702 9.167 9.132 403 1HG2 THR 48 1HG2 THR 48 -6.568 12.121 7.926 404 2HG2 THR 48 2HG2 THR 48 -7.130 10.548 7.361 405 3HG2 THR 48 3HG2 THR 48 -6.157 11.569 6.303 406 H GLN 49 H GLN 49 -2.952 8.302 5.565 407 HA GLN 49 HA GLN 49 -0.664 7.849 7.048 408 1HB GLN 49 2HB GLN 49 -2.850 7.165 8.597 409 2HB GLN 49 1HB GLN 49 -2.361 5.624 7.908 410 1HG GLN 49 2HG GLN 49 -0.250 5.716 8.896 411 2HG GLN 49 1HG GLN 49 -0.378 7.444 9.218 412 1HE2 GLN 49 1HE2 GLN 49 -0.740 7.944 11.248 413 2HE2 GLN 49 2HE2 GLN 49 -1.553 6.964 12.416 414 H SER 50 H SER 50 -1.487 7.744 4.362 415 HA SER 50 HA SER 50 -0.972 6.522 2.501 416 1HB SER 50 2HB SER 50 0.649 5.369 4.354 417 2HB SER 50 1HB SER 50 -0.360 3.994 3.913 418 HG SER 50 HG SER 50 0.964 3.857 2.284 419 H ASN 51 H ASN 51 -1.439 3.787 1.962 420 HA ASN 51 HA ASN 51 -4.169 3.266 2.808 421 1HB ASN 51 2HB ASN 51 -4.296 4.760 0.806 422 2HB ASN 51 1HB ASN 51 -3.503 3.499 -0.127 423 1HD2 ASN 51 1HD2 ASN 51 -6.107 3.570 2.284 424 2HD2 ASN 51 2HD2 ASN 51 -7.246 2.688 1.332 425 H HIS 52 H HIS 52 -3.521 1.679 -0.088 426 HA HIS 52 HA HIS 52 -2.451 -0.648 1.359 427 1HB HIS 52 2HB HIS 52 -4.272 -0.881 -1.024 428 2HB HIS 52 1HB HIS 52 -3.898 -2.093 0.197 429 HD1 HIS 52 HD1 HIS 52 -6.762 -0.737 -0.745 430 HD2 HIS 52 HD2 HIS 52 -4.719 -0.293 2.847 431 HE1 HIS 52 HE1 HIS 52 -8.501 -0.058 0.938 432 HE2 HIS 52 HE2 HIS 52 -7.257 0.121 3.122 433 H VAL 53 H VAL 53 -1.140 -2.107 0.149 434 HA VAL 53 HA VAL 53 0.045 -0.916 -2.273 435 HB VAL 53 HB VAL 53 1.589 -0.744 -0.372 436 1HG1 VAL 53 1HG1 VAL 53 0.569 -3.107 0.470 437 2HG1 VAL 53 2HG1 VAL 53 2.080 -2.409 1.054 438 3HG1 VAL 53 3HG1 VAL 53 2.106 -3.629 -0.219 439 1HG2 VAL 53 1HG2 VAL 53 2.141 -2.192 -2.834 440 2HG2 VAL 53 2HG2 VAL 53 3.299 -2.552 -1.553 441 3HG2 VAL 53 3HG2 VAL 53 3.039 -0.884 -2.064 442 H LEU 54 H LEU 54 -0.699 -2.107 -3.919 443 HA LEU 54 HA LEU 54 -0.900 -5.014 -3.605 444 1HB LEU 54 2HB LEU 54 -2.377 -3.007 -5.084 445 2HB LEU 54 1HB LEU 54 -1.866 -4.316 -6.131 446 HG LEU 54 HG LEU 54 -2.960 -5.936 -4.630 447 1HD1 LEU 54 1HD1 LEU 54 -4.444 -3.826 -3.203 448 2HD1 LEU 54 2HD1 LEU 54 -2.771 -4.073 -2.704 449 3HD1 LEU 54 3HD1 LEU 54 -3.912 -5.416 -2.653 450 1HD2 LEU 54 1HD2 LEU 54 -5.197 -5.466 -5.296 451 2HD2 LEU 54 2HD2 LEU 54 -4.133 -4.866 -6.567 452 3HD2 LEU 54 3HD2 LEU 54 -4.860 -3.740 -5.423 453 H PHE 55 H PHE 55 -0.653 -5.925 -6.130 454 HA PHE 55 HA PHE 55 1.630 -4.926 -7.506 455 1HB PHE 55 2HB PHE 55 2.852 -7.254 -7.012 456 2HB PHE 55 1HB PHE 55 3.138 -5.815 -6.041 457 HD1 PHE 55 HD1 PHE 55 3.371 -6.315 -3.822 458 HD2 PHE 55 HD2 PHE 55 0.484 -8.447 -6.109 459 HE1 PHE 55 HE1 PHE 55 2.681 -7.540 -1.803 460 HE2 PHE 55 HE2 PHE 55 -0.212 -9.676 -4.093 461 HZ PHE 55 HZ PHE 55 0.887 -9.221 -1.937 462 H LEU 56 H LEU 56 2.083 -6.079 -9.433 463 HA LEU 56 HA LEU 56 -0.087 -7.906 -10.216 464 1HB LEU 56 2HB LEU 56 1.688 -6.200 -11.966 465 2HB LEU 56 1HB LEU 56 0.374 -7.219 -12.521 466 HG LEU 56 HG LEU 56 -0.427 -4.983 -12.530 467 1HD1 LEU 56 1HD1 LEU 56 -1.721 -6.955 -11.252 468 2HD1 LEU 56 2HD1 LEU 56 -2.393 -5.341 -11.485 469 3HD1 LEU 56 3HD1 LEU 56 -1.629 -5.765 -9.953 470 1HD2 LEU 56 1HD2 LEU 56 0.089 -4.586 -9.622 471 2HD2 LEU 56 2HD2 LEU 56 -0.085 -3.395 -10.910 472 3HD2 LEU 56 3HD2 LEU 56 1.402 -4.330 -10.771 473 H SER 57 H SER 57 0.491 -9.968 -10.234 474 HA SER 57 HA SER 57 3.278 -10.714 -10.601 475 1HB SER 57 2HB SER 57 2.404 -13.033 -10.098 476 2HB SER 57 1HB SER 57 2.166 -11.852 -8.810 477 HG SER 57 HG SER 57 0.104 -12.159 -8.989 478 H SER 58 H SER 58 0.131 -11.391 -12.107 479 HA SER 58 HA SER 58 1.536 -11.939 -14.620 480 1HB SER 58 2HB SER 58 -0.246 -13.786 -14.986 481 2HB SER 58 1HB SER 58 1.131 -14.146 -13.945 482 HG SER 58 HG SER 58 -1.331 -13.173 -12.945 483 H TYR 59 H TYR 59 0.791 -9.721 -14.996 484 HA TYR 59 HA TYR 59 -2.067 -9.335 -15.335 485 1HB TYR 59 2HB TYR 59 -0.424 -7.573 -14.451 486 2HB TYR 59 1HB TYR 59 0.097 -7.390 -16.123 487 HD1 TYR 59 HD1 TYR 59 -2.577 -6.760 -13.719 488 HD2 TYR 59 HD2 TYR 59 -1.405 -6.424 -17.795 489 HE1 TYR 59 HE1 TYR 59 -4.421 -5.182 -14.113 490 HE2 TYR 59 HE2 TYR 59 -3.246 -4.844 -18.201 491 HH TYR 59 HH TYR 59 -5.429 -4.270 -17.216 492 H ASN 60 H ASN 60 -3.146 -9.284 -17.242 493 HA ASN 60 HA ASN 60 -1.604 -10.017 -19.632 494 1HB ASN 60 2HB ASN 60 -4.315 -10.693 -18.641 495 2HB ASN 60 1HB ASN 60 -4.155 -10.476 -20.381 496 1HD2 ASN 60 1HD2 ASN 60 -2.165 -11.921 -17.818 497 2HD2 ASN 60 2HD2 ASN 60 -1.918 -13.427 -18.629 498 H SER 61 H SER 61 -4.855 -8.662 -19.674 499 HA SER 61 HA SER 61 -4.423 -5.999 -20.093 500 1HB SER 61 2HB SER 61 -4.566 -6.064 -22.732 501 2HB SER 61 1HB SER 61 -3.004 -6.150 -21.917 502 HG SER 61 HG SER 61 -4.527 -8.335 -22.902 503 H VAL 62 H VAL 62 -6.451 -7.535 -19.080 504 HA VAL 62 HA VAL 62 -8.657 -6.973 -20.953 505 HB VAL 62 HB VAL 62 -9.904 -8.835 -19.781 506 1HG1 VAL 62 1HG1 VAL 62 -8.978 -9.070 -22.034 507 2HG1 VAL 62 2HG1 VAL 62 -8.892 -10.587 -21.139 508 3HG1 VAL 62 3HG1 VAL 62 -7.443 -9.603 -21.347 509 1HG2 VAL 62 1HG2 VAL 62 -8.440 -10.589 -18.752 510 2HG2 VAL 62 2HG2 VAL 62 -8.595 -9.110 -17.804 511 3HG2 VAL 62 3HG2 VAL 62 -7.133 -9.406 -18.745 512 H ASP 63 H ASP 63 -10.671 -6.358 -19.995 513 HA ASP 63 HA ASP 63 -10.444 -4.458 -17.956 514 1HB ASP 63 2HB ASP 63 -12.944 -4.470 -17.964 515 2HB ASP 63 1HB ASP 63 -12.231 -4.305 -19.566 516 H GLU 64 H GLU 64 -11.112 -7.873 -17.835 517 HA GLU 64 HA GLU 64 -12.337 -8.080 -15.343 518 1HB GLU 64 2HB GLU 64 -11.510 -9.855 -17.246 519 2HB GLU 64 1HB GLU 64 -10.374 -10.189 -15.946 520 1HG GLU 64 2HG GLU 64 -11.927 -11.169 -14.674 521 2HG GLU 64 1HG GLU 64 -13.152 -9.965 -15.070 522 H ILE 65 H ILE 65 -8.890 -8.012 -16.171 523 HA ILE 65 HA ILE 65 -8.076 -8.195 -13.410 524 HB ILE 65 HB ILE 65 -6.370 -7.444 -15.783 525 1HG1 ILE 65 2HG1 ILE 65 -7.474 -9.580 -16.220 526 2HG1 ILE 65 1HG1 ILE 65 -5.763 -9.833 -15.891 527 1HG2 ILE 65 1HG2 ILE 65 -5.331 -6.938 -13.671 528 2HG2 ILE 65 2HG2 ILE 65 -4.548 -8.352 -14.377 529 3HG2 ILE 65 3HG2 ILE 65 -5.704 -8.549 -13.060 530 1HD1 ILE 65 1HD1 ILE 65 -7.963 -10.210 -13.877 531 2HD1 ILE 65 2HD1 ILE 65 -6.255 -10.594 -13.668 532 3HD1 ILE 65 3HD1 ILE 65 -7.227 -11.501 -14.827 533 H ARG 66 H ARG 66 -8.546 -5.683 -15.804 534 HA ARG 66 HA ARG 66 -7.186 -3.599 -14.488 535 1HB ARG 66 2HB ARG 66 -7.877 -3.464 -16.838 536 2HB ARG 66 1HB ARG 66 -9.566 -3.457 -16.348 537 1HG ARG 66 2HG ARG 66 -8.651 -1.363 -14.923 538 2HG ARG 66 1HG ARG 66 -7.575 -1.293 -16.321 539 1HD ARG 66 2HD ARG 66 -9.320 -0.015 -17.077 540 2HD ARG 66 1HD ARG 66 -9.813 -1.605 -17.657 541 HE ARG 66 HE ARG 66 -10.828 -0.964 -15.047 542 1HH1 ARG 66 2HH1 ARG 66 -11.376 -0.661 -18.479 543 2HH1 ARG 66 1HH1 ARG 66 -13.087 -0.451 -18.315 544 1HH2 ARG 66 1HH2 ARG 66 -13.077 -0.683 -14.827 545 2HH2 ARG 66 2HH2 ARG 66 -14.052 -0.461 -16.241 546 H LYS 67 H LYS 67 -10.538 -4.720 -14.312 547 HA LYS 67 HA LYS 67 -11.404 -2.664 -12.543 548 1HB LYS 67 2HB LYS 67 -12.875 -4.089 -14.040 549 2HB LYS 67 1HB LYS 67 -12.658 -5.389 -12.875 550 1HG LYS 67 2HG LYS 67 -13.669 -4.005 -11.136 551 2HG LYS 67 1HG LYS 67 -13.880 -2.696 -12.300 552 1HD LYS 67 2HD LYS 67 -15.254 -4.293 -13.680 553 2HD LYS 67 1HD LYS 67 -15.193 -5.409 -12.314 554 1HE LYS 67 2HE LYS 67 -16.600 -4.152 -11.047 555 2HE LYS 67 1HE LYS 67 -16.041 -2.632 -11.742 556 1HZ LYS 67 1HZ LYS 67 -18.117 -2.784 -12.642 557 2HZ LYS 67 2HZ LYS 67 -18.103 -4.474 -12.717 558 3HZ LYS 67 3HZ LYS 67 -17.231 -3.570 -13.851 559 H GLU 68 H GLU 68 -9.999 -5.842 -12.124 560 HA GLU 68 HA GLU 68 -10.602 -6.285 -9.435 561 1HB GLU 68 2HB GLU 68 -9.197 -7.630 -11.366 562 2HB GLU 68 1HB GLU 68 -7.918 -7.151 -10.259 563 1HG GLU 68 2HG GLU 68 -8.538 -9.218 -9.455 564 2HG GLU 68 1HG GLU 68 -9.454 -8.117 -8.427 565 H LEU 69 H LEU 69 -7.857 -4.592 -10.911 566 HA LEU 69 HA LEU 69 -6.659 -3.944 -8.391 567 1HB LEU 69 2HB LEU 69 -5.405 -4.175 -10.542 568 2HB LEU 69 1HB LEU 69 -6.155 -2.686 -11.086 569 HG LEU 69 HG LEU 69 -5.087 -1.510 -9.158 570 1HD1 LEU 69 1HD1 LEU 69 -2.985 -2.973 -8.394 571 2HD1 LEU 69 2HD1 LEU 69 -4.162 -4.264 -8.626 572 3HD1 LEU 69 3HD1 LEU 69 -4.509 -2.944 -7.509 573 1HD2 LEU 69 1HD2 LEU 69 -4.098 -2.020 -11.594 574 2HD2 LEU 69 2HD2 LEU 69 -2.836 -2.756 -10.606 575 3HD2 LEU 69 3HD2 LEU 69 -3.246 -1.055 -10.388 576 H GLU 70 H GLU 70 -8.781 -2.309 -10.674 577 HA GLU 70 HA GLU 70 -8.668 0.265 -9.569 578 1HB GLU 70 2HB GLU 70 -9.861 -0.738 -11.736 579 2HB GLU 70 1HB GLU 70 -11.255 -0.721 -10.666 580 1HG GLU 70 2HG GLU 70 -11.517 1.463 -10.916 581 2HG GLU 70 1HG GLU 70 -9.827 1.774 -10.519 582 H GLU 71 H GLU 71 -10.837 -2.463 -8.890 583 HA GLU 71 HA GLU 71 -12.418 -1.165 -6.964 584 1HB GLU 71 2HB GLU 71 -13.109 -3.400 -6.264 585 2HB GLU 71 1HB GLU 71 -13.076 -3.281 -8.018 586 1HG GLU 71 2HG GLU 71 -11.185 -4.620 -8.196 587 2HG GLU 71 1HG GLU 71 -10.741 -4.383 -6.508 588 H ALA 72 H ALA 72 -9.332 -2.818 -6.761 589 HA ALA 72 HA ALA 72 -9.255 -2.722 -3.875 590 1HB ALA 72 1HB ALA 72 -7.165 -3.466 -5.916 591 2HB ALA 72 2HB ALA 72 -8.158 -4.564 -4.957 592 3HB ALA 72 3HB ALA 72 -6.935 -3.565 -4.170 593 H GLY 73 H GLY 73 -8.320 -0.702 -6.521 594 1HA GLY 73 2HA GLY 73 -6.256 0.790 -5.375 595 2HA GLY 73 1HA GLY 73 -7.366 1.381 -6.602 596 H ALA 74 H ALA 74 -9.700 1.733 -5.552 597 HA ALA 74 HA ALA 74 -9.717 2.675 -2.859 598 1HB ALA 74 1HB ALA 74 -8.661 4.619 -3.336 599 2HB ALA 74 2HB ALA 74 -10.289 5.104 -3.810 600 3HB ALA 74 3HB ALA 74 -9.130 4.586 -5.035 601 H LYS 75 H LYS 75 -11.305 1.013 -4.692 602 HA LYS 75 HA LYS 75 -13.814 2.511 -4.821 603 1HB LYS 75 2HB LYS 75 -12.654 0.775 -6.621 604 2HB LYS 75 1HB LYS 75 -13.875 -0.221 -5.842 605 1HG LYS 75 2HG LYS 75 -15.255 2.081 -6.352 606 2HG LYS 75 1HG LYS 75 -14.171 1.975 -7.739 607 1HD LYS 75 2HD LYS 75 -16.028 -0.203 -6.778 608 2HD LYS 75 1HD LYS 75 -16.302 0.846 -8.171 609 1HE LYS 75 2HE LYS 75 -13.849 -0.118 -8.757 610 2HE LYS 75 1HE LYS 75 -14.522 -1.483 -7.867 611 1HZ LYS 75 1HZ LYS 75 -16.344 -1.598 -9.378 612 2HZ LYS 75 2HZ LYS 75 -14.924 -1.558 -10.295 613 3HZ LYS 75 3HZ LYS 75 -15.880 -0.170 -10.156 614 H ILE 76 H ILE 76 -13.104 -0.871 -4.206 615 HA ILE 76 HA ILE 76 -15.081 -0.857 -2.043 616 HB ILE 76 HB ILE 76 -15.376 -2.534 -3.828 617 1HG1 ILE 76 2HG1 ILE 76 -15.082 -4.577 -2.055 618 2HG1 ILE 76 1HG1 ILE 76 -15.022 -3.190 -0.971 619 1HG2 ILE 76 1HG2 ILE 76 -13.833 -4.385 -4.072 620 2HG2 ILE 76 2HG2 ILE 76 -12.787 -3.708 -2.825 621 3HG2 ILE 76 3HG2 ILE 76 -12.997 -2.858 -4.355 622 1HD1 ILE 76 1HD1 ILE 76 -17.190 -3.233 -2.979 623 2HD1 ILE 76 2HD1 ILE 76 -17.194 -2.664 -1.310 624 3HD1 ILE 76 3HD1 ILE 76 -17.287 -4.391 -1.652 625 H ASN 77 H ASN 77 -14.576 -1.337 0.037 626 HA ASN 77 HA ASN 77 -11.898 -1.037 0.897 627 1HB ASN 77 2HB ASN 77 -12.784 -1.543 3.145 628 2HB ASN 77 1HB ASN 77 -13.774 -0.355 2.302 629 1HD2 ASN 77 1HD2 ASN 77 -15.699 -0.703 3.237 630 2HD2 ASN 77 2HD2 ASN 77 -16.562 -2.199 3.180 631 H HIS 78 H HIS 78 -10.909 -2.664 2.490 632 HA HIS 78 HA HIS 78 -11.076 -5.348 1.287 633 1HB HIS 78 2HB HIS 78 -8.772 -3.710 2.238 634 2HB HIS 78 1HB HIS 78 -8.675 -5.458 2.422 635 HD1 HIS 78 HD1 HIS 78 -10.486 -4.244 -0.560 636 HD2 HIS 78 HD2 HIS 78 -6.623 -5.406 0.436 637 HE1 HIS 78 HE1 HIS 78 -9.303 -4.592 -2.752 638 HE2 HIS 78 HE2 HIS 78 -6.946 -5.225 -2.125 639 H THR 79 H THR 79 -12.891 -5.565 2.882 640 HA THR 79 HA THR 79 -12.034 -5.932 5.645 641 HB THR 79 HB THR 79 -14.806 -6.569 4.756 642 HG1 THR 79 HG1 THR 79 -13.668 -3.984 4.778 643 1HG2 THR 79 1HG2 THR 79 -13.517 -6.019 7.214 644 2HG2 THR 79 2HG2 THR 79 -15.210 -6.418 6.918 645 3HG2 THR 79 3HG2 THR 79 -14.685 -4.734 6.905 646 H THR 80 H THR 80 -12.121 -7.877 6.738 647 HA THR 80 HA THR 80 -12.256 -10.126 7.103 648 HB THR 80 HB THR 80 -13.451 -11.569 5.746 649 HG1 THR 80 HG1 THR 80 -13.004 -9.975 3.457 650 1HG2 THR 80 1HG2 THR 80 -15.413 -10.560 5.547 651 2HG2 THR 80 2HG2 THR 80 -14.799 -9.410 4.357 652 3HG2 THR 80 3HG2 THR 80 -14.588 -9.095 6.080 653 H LEU 81 H LEU 81 -10.782 -8.999 4.104 654 HA LEU 81 HA LEU 81 -8.763 -9.430 3.158 655 1HB LEU 81 2HB LEU 81 -7.994 -10.908 5.660 656 2HB LEU 81 1HB LEU 81 -6.946 -10.074 4.529 657 HG LEU 81 HG LEU 81 -8.951 -8.377 5.878 658 1HD1 LEU 81 1HD1 LEU 81 -6.549 -9.254 7.446 659 2HD1 LEU 81 2HD1 LEU 81 -8.111 -10.056 7.616 660 3HD1 LEU 81 3HD1 LEU 81 -7.956 -8.339 7.991 661 1HD2 LEU 81 1HD2 LEU 81 -5.990 -7.961 5.689 662 2HD2 LEU 81 2HD2 LEU 81 -7.282 -6.762 5.750 663 3HD2 LEU 81 3HD2 LEU 81 -7.035 -7.719 4.289 664 H LYS 82 H LYS 82 -11.057 -11.511 3.402 665 HA LYS 82 HA LYS 82 -9.712 -14.028 3.083 666 1HB LYS 82 2HB LYS 82 -12.529 -13.076 3.008 667 2HB LYS 82 1HB LYS 82 -12.163 -14.575 2.165 668 1HG LYS 82 2HG LYS 82 -11.171 -15.449 4.267 669 2HG LYS 82 1HG LYS 82 -11.717 -13.983 5.081 670 1HD LYS 82 2HD LYS 82 -13.555 -15.210 5.522 671 2HD LYS 82 1HD LYS 82 -14.008 -14.771 3.874 672 1HE LYS 82 2HE LYS 82 -13.534 -16.847 3.043 673 2HE LYS 82 1HE LYS 82 -12.304 -17.173 4.263 674 1HZ LYS 82 1HZ LYS 82 -14.090 -18.566 4.786 675 2HZ LYS 82 2HZ LYS 82 -15.243 -17.353 4.538 676 3HZ LYS 82 3HZ LYS 82 -14.223 -17.286 5.886 677 H ILE 83 H ILE 83 -10.628 -11.436 1.003 678 HA ILE 83 HA ILE 83 -10.678 -12.960 -1.419 679 HB ILE 83 HB ILE 83 -10.445 -10.697 -2.523 680 1HG1 ILE 83 2HG1 ILE 83 -10.947 -9.538 0.203 681 2HG1 ILE 83 1HG1 ILE 83 -9.301 -9.770 -0.378 682 1HG2 ILE 83 1HG2 ILE 83 -12.707 -10.417 -0.651 683 2HG2 ILE 83 2HG2 ILE 83 -12.609 -11.941 -1.534 684 3HG2 ILE 83 3HG2 ILE 83 -12.682 -10.415 -2.414 685 1HD1 ILE 83 1HD1 ILE 83 -10.033 -8.436 -2.426 686 2HD1 ILE 83 2HD1 ILE 83 -9.808 -7.564 -0.909 687 3HD1 ILE 83 3HD1 ILE 83 -11.433 -7.973 -1.460 688 H LEU 84 H LEU 84 -8.262 -11.243 0.433 689 HA LEU 84 HA LEU 84 -6.241 -11.263 -1.564 690 1HB LEU 84 2HB LEU 84 -6.505 -10.447 1.202 691 2HB LEU 84 1HB LEU 84 -4.978 -11.267 0.939 692 HG LEU 84 HG LEU 84 -5.287 -9.438 -1.197 693 1HD1 LEU 84 1HD1 LEU 84 -5.897 -7.425 -0.331 694 2HD1 LEU 84 2HD1 LEU 84 -5.422 -7.858 1.311 695 3HD1 LEU 84 3HD1 LEU 84 -6.931 -8.474 0.637 696 1HD2 LEU 84 1HD2 LEU 84 -3.555 -9.221 1.260 697 2HD2 LEU 84 2HD2 LEU 84 -3.264 -8.484 -0.315 698 3HD2 LEU 84 3HD2 LEU 84 -3.194 -10.237 -0.136 699 H GLU 85 H GLU 85 -7.006 -13.391 1.177 700 HA GLU 85 HA GLU 85 -4.835 -15.174 0.618 701 1HB GLU 85 2HB GLU 85 -6.105 -16.710 2.201 702 2HB GLU 85 1HB GLU 85 -5.569 -15.172 2.862 703 1HG GLU 85 2HG GLU 85 -7.635 -14.631 3.416 704 2HG GLU 85 1HG GLU 85 -8.190 -14.879 1.762 705 H GLY 86 H GLY 86 -7.832 -14.621 -0.835 706 1HA GLY 86 2HA GLY 86 -8.118 -17.373 -1.785 707 2HA GLY 86 1HA GLY 86 -9.267 -16.065 -2.029 708 H HIS 87 H HIS 87 -7.126 -14.204 -2.920 709 HA HIS 87 HA HIS 87 -6.858 -15.292 -5.638 710 1HB HIS 87 2HB HIS 87 -6.878 -13.086 -6.475 711 2HB HIS 87 1HB HIS 87 -8.115 -13.108 -5.225 712 HD1 HIS 87 HD1 HIS 87 -4.405 -12.224 -5.404 713 HD2 HIS 87 HD2 HIS 87 -7.939 -10.938 -3.636 714 HE1 HIS 87 HE1 HIS 87 -3.796 -10.158 -4.108 715 HE2 HIS 87 HE2 HIS 87 -5.970 -9.341 -3.132 716 H LEU 88 HN LEU 88 -5.067 -14.002 -2.942 717 HA LEU 88 HA LEU 88 -2.572 -14.585 -4.394 718 1HB LEU 88 2HB LEU 88 -2.810 -12.179 -4.168 719 2HB LEU 88 1HB LEU 88 -3.090 -12.342 -2.445 720 HG LEU 88 HG LEU 88 -0.714 -13.435 -2.435 721 1HD1 LEU 88 1HD1 LEU 88 -0.866 -13.106 -5.097 722 2HD1 LEU 88 2HD1 LEU 88 0.653 -13.122 -4.201 723 3HD1 LEU 88 3HD1 LEU 88 -0.093 -11.586 -4.646 724 1HD2 LEU 88 1HD2 LEU 88 -1.060 -11.463 -1.216 725 2HD2 LEU 88 2HD2 LEU 88 -1.360 -10.513 -2.670 726 3HD2 LEU 88 3HD2 LEU 88 0.269 -11.083 -2.310 Start of MODEL 16 1 1H LEU 1 1H LEU 1 -7.855 19.663 -7.586 2 2H LEU 1 2H LEU 1 -6.857 19.272 -6.245 3 3H LEU 1 3H LEU 1 -7.508 20.853 -6.403 4 HA LEU 1 HA LEU 1 -8.635 19.496 -4.756 5 1HB LEU 1 2HB LEU 1 -9.724 20.966 -7.001 6 2HB LEU 1 1HB LEU 1 -10.878 19.786 -6.411 7 HG LEU 1 HG LEU 1 -9.571 21.465 -4.354 8 1HD1 LEU 1 1HD1 LEU 1 -11.495 22.557 -6.390 9 2HD1 LEU 1 2HD1 LEU 1 -9.917 23.194 -5.931 10 3HD1 LEU 1 3HD1 LEU 1 -11.265 23.277 -4.798 11 1HD2 LEU 1 1HD2 LEU 1 -12.365 20.461 -4.869 12 2HD2 LEU 1 2HD2 LEU 1 -11.912 21.470 -3.495 13 3HD2 LEU 1 3HD2 LEU 1 -11.212 19.861 -3.678 14 H PHE 2 H PHE 2 -10.937 18.169 -5.071 15 HA PHE 2 HA PHE 2 -11.848 16.107 -5.368 16 1HB PHE 2 2HB PHE 2 -11.758 16.677 -7.755 17 2HB PHE 2 1HB PHE 2 -10.110 16.066 -7.846 18 HD1 PHE 2 HD1 PHE 2 -9.879 14.011 -8.815 19 HD2 PHE 2 HD2 PHE 2 -13.424 14.855 -6.615 20 HE1 PHE 2 HE1 PHE 2 -10.739 11.769 -9.349 21 HE2 PHE 2 HE2 PHE 2 -14.289 12.613 -7.145 22 HZ PHE 2 HZ PHE 2 -12.947 11.067 -8.514 23 H ILE 3 H ILE 3 -11.461 13.973 -4.794 24 HA ILE 3 HA ILE 3 -9.137 13.436 -3.336 25 HB ILE 3 HB ILE 3 -11.064 11.407 -4.477 26 1HG1 ILE 3 2HG1 ILE 3 -11.745 11.709 -1.855 27 2HG1 ILE 3 1HG1 ILE 3 -11.273 13.355 -2.269 28 1HG2 ILE 3 1HG2 ILE 3 -8.924 10.493 -3.629 29 2HG2 ILE 3 2HG2 ILE 3 -10.325 9.956 -2.702 30 3HG2 ILE 3 3HG2 ILE 3 -9.273 11.217 -2.059 31 1HD1 ILE 3 1HD1 ILE 3 -12.996 12.152 -4.269 32 2HD1 ILE 3 2HD1 ILE 3 -13.135 13.696 -3.428 33 3HD1 ILE 3 3HD1 ILE 3 -13.738 12.222 -2.671 34 H ALA 4 H ALA 4 -7.194 13.463 -4.307 35 HA ALA 4 HA ALA 4 -6.700 12.550 -6.945 36 1HB ALA 4 1HB ALA 4 -4.565 12.782 -4.856 37 2HB ALA 4 2HB ALA 4 -5.350 14.216 -5.517 38 3HB ALA 4 3HB ALA 4 -4.473 13.119 -6.585 39 H THR 5 H THR 5 -7.271 10.449 -7.294 40 HA THR 5 HA THR 5 -6.644 8.337 -5.482 41 HB THR 5 HB THR 5 -7.164 7.001 -7.747 42 HG1 THR 5 HG1 THR 5 -7.197 9.086 -8.883 43 1HG2 THR 5 1HG2 THR 5 -8.786 6.527 -6.277 44 2HG2 THR 5 2HG2 THR 5 -9.701 7.718 -7.202 45 3HG2 THR 5 3HG2 THR 5 -8.899 8.191 -5.703 46 H LEU 6 H LEU 6 -4.399 8.519 -5.143 47 HA LEU 6 HA LEU 6 -2.448 8.545 -7.150 48 1HB LEU 6 2HB LEU 6 -2.432 8.676 -4.429 49 2HB LEU 6 1HB LEU 6 -1.757 7.080 -4.692 50 HG LEU 6 HG LEU 6 0.021 8.026 -6.065 51 1HD1 LEU 6 1HD1 LEU 6 -1.590 10.505 -5.746 52 2HD1 LEU 6 2HD1 LEU 6 -0.742 9.881 -7.160 53 3HD1 LEU 6 3HD1 LEU 6 0.164 10.644 -5.854 54 1HD2 LEU 6 1HD2 LEU 6 -0.437 9.041 -3.302 55 2HD2 LEU 6 2HD2 LEU 6 0.963 9.617 -4.209 56 3HD2 LEU 6 3HD2 LEU 6 0.760 7.892 -3.898 57 H LYS 7 H LYS 7 -1.644 7.028 -8.459 58 HA LYS 7 HA LYS 7 -2.042 4.204 -7.814 59 1HB LYS 7 2HB LYS 7 -2.970 5.565 -10.340 60 2HB LYS 7 1HB LYS 7 -2.714 3.829 -10.239 61 1HG LYS 7 2HG LYS 7 -4.637 3.492 -9.163 62 2HG LYS 7 1HG LYS 7 -4.379 4.866 -8.087 63 1HD LYS 7 2HD LYS 7 -5.772 6.137 -9.272 64 2HD LYS 7 1HD LYS 7 -4.914 5.770 -10.771 65 1HE LYS 7 2HE LYS 7 -6.834 4.765 -11.359 66 2HE LYS 7 1HE LYS 7 -6.248 3.446 -10.346 67 1HZ LYS 7 1HZ LYS 7 -7.748 5.583 -9.037 68 2HZ LYS 7 2HZ LYS 7 -7.720 3.924 -8.708 69 3HZ LYS 7 3HZ LYS 7 -8.621 4.511 -10.014 70 H GLY 8 H GLY 8 0.293 4.631 -7.366 71 1HA GLY 8 2HA GLY 8 2.026 5.091 -9.628 72 2HA GLY 8 1HA GLY 8 2.527 4.703 -7.987 73 H ILE 9 H ILE 9 3.082 3.642 -10.853 74 HA ILE 9 HA ILE 9 2.528 0.808 -10.324 75 HB ILE 9 HB ILE 9 3.494 2.030 -12.908 76 1HG1 ILE 9 2HG1 ILE 9 0.686 1.267 -12.067 77 2HG1 ILE 9 1HG1 ILE 9 1.278 2.907 -12.316 78 1HG2 ILE 9 1HG2 ILE 9 3.955 -0.131 -13.305 79 2HG2 ILE 9 2HG2 ILE 9 2.213 -0.288 -13.529 80 3HG2 ILE 9 3HG2 ILE 9 2.942 -0.696 -11.978 81 1HD1 ILE 9 1HD1 ILE 9 0.633 2.766 -14.422 82 2HD1 ILE 9 2HD1 ILE 9 0.184 1.074 -14.206 83 3HD1 ILE 9 3HD1 ILE 9 1.830 1.496 -14.678 84 H PHE 10 H PHE 10 4.095 -0.572 -9.855 85 HA PHE 10 HA PHE 10 6.873 0.395 -9.881 86 1HB PHE 10 2HB PHE 10 5.322 -1.486 -8.159 87 2HB PHE 10 1HB PHE 10 7.043 -1.784 -8.355 88 HD1 PHE 10 HD1 PHE 10 7.896 -1.237 -6.239 89 HD2 PHE 10 HD2 PHE 10 5.299 1.484 -8.226 90 HE1 PHE 10 HE1 PHE 10 8.362 0.463 -4.522 91 HE2 PHE 10 HE2 PHE 10 5.760 3.186 -6.513 92 HZ PHE 10 HZ PHE 10 7.293 2.668 -4.654 93 H THR 11 H THR 11 8.216 -0.414 -11.376 94 HA THR 11 HA THR 11 7.396 -2.812 -12.847 95 HB THR 11 HB THR 11 7.786 -0.817 -14.190 96 HG1 THR 11 HG1 THR 11 9.299 -1.750 -15.626 97 1HG2 THR 11 1HG2 THR 11 9.371 0.455 -13.018 98 2HG2 THR 11 2HG2 THR 11 10.179 -0.071 -14.494 99 3HG2 THR 11 3HG2 THR 11 10.523 -0.879 -12.965 100 H LEU 12 H LEU 12 8.675 -4.516 -13.251 101 HA LEU 12 HA LEU 12 9.981 -6.217 -12.468 102 1HB LEU 12 2HB LEU 12 12.483 -5.501 -12.739 103 2HB LEU 12 1HB LEU 12 11.426 -5.600 -14.125 104 HG LEU 12 HG LEU 12 11.060 -3.081 -13.815 105 1HD1 LEU 12 1HD1 LEU 12 13.717 -3.060 -12.486 106 2HD1 LEU 12 2HD1 LEU 12 12.283 -3.312 -11.492 107 3HD1 LEU 12 3HD1 LEU 12 12.433 -1.851 -12.468 108 1HD2 LEU 12 1HD2 LEU 12 12.922 -2.579 -15.193 109 2HD2 LEU 12 2HD2 LEU 12 12.438 -4.231 -15.578 110 3HD2 LEU 12 3HD2 LEU 12 13.845 -3.940 -14.557 111 H LYS 13 H LYS 13 12.683 -5.629 -11.210 112 HA LYS 13 HA LYS 13 11.731 -5.702 -8.477 113 1HB LYS 13 2HB LYS 13 13.677 -7.093 -9.739 114 2HB LYS 13 1HB LYS 13 14.637 -5.811 -9.013 115 1HG LYS 13 2HG LYS 13 13.740 -6.382 -6.813 116 2HG LYS 13 1HG LYS 13 12.777 -7.669 -7.543 117 1HD LYS 13 2HD LYS 13 14.733 -8.676 -6.622 118 2HD LYS 13 1HD LYS 13 14.922 -8.669 -8.377 119 1HE LYS 13 2HE LYS 13 15.971 -6.284 -7.036 120 2HE LYS 13 1HE LYS 13 16.786 -7.783 -6.592 121 1HZ LYS 13 1HZ LYS 13 16.352 -6.873 -9.385 122 2HZ LYS 13 2HZ LYS 13 17.253 -8.216 -8.888 123 3HZ LYS 13 3HZ LYS 13 17.790 -6.656 -8.520 124 H ASP 14 H ASP 14 13.900 -3.721 -10.461 125 HA ASP 14 HA ASP 14 14.821 -1.991 -8.485 126 1HB ASP 14 2HB ASP 14 15.346 -2.218 -11.086 127 2HB ASP 14 1HB ASP 14 14.214 -0.873 -11.182 128 H LEU 15 H LEU 15 11.719 -2.242 -9.948 129 HA LEU 15 HA LEU 15 10.267 -0.181 -10.133 130 1HB LEU 15 2HB LEU 15 8.711 -1.043 -8.195 131 2HB LEU 15 1HB LEU 15 8.910 -1.937 -9.686 132 HG LEU 15 HG LEU 15 10.614 -3.356 -8.542 133 1HD1 LEU 15 1HD1 LEU 15 11.242 -1.737 -6.797 134 2HD1 LEU 15 2HD1 LEU 15 10.785 -3.305 -6.131 135 3HD1 LEU 15 3HD1 LEU 15 9.657 -1.952 -6.052 136 1HD2 LEU 15 1HD2 LEU 15 7.945 -3.329 -7.148 137 2HD2 LEU 15 2HD2 LEU 15 9.021 -4.708 -7.379 138 3HD2 LEU 15 3HD2 LEU 15 8.212 -3.979 -8.766 139 HA PRO 16 HA PRO 16 11.544 2.338 -6.548 140 1HB PRO 16 2HB PRO 16 12.925 4.244 -7.775 141 2HB PRO 16 1HB PRO 16 13.626 2.645 -7.503 142 1HG PRO 16 2HG PRO 16 12.651 3.868 -10.015 143 2HG PRO 16 1HG PRO 16 13.870 2.606 -9.779 144 1HD PRO 16 2HD PRO 16 11.089 2.292 -10.462 145 2HD PRO 16 1HD PRO 16 12.314 1.026 -10.245 146 H GLU 17 H GLU 17 9.006 2.399 -7.661 147 HA GLU 17 HA GLU 17 7.193 3.727 -8.126 148 1HB GLU 17 2HB GLU 17 7.460 4.206 -5.776 149 2HB GLU 17 1HB GLU 17 8.701 5.398 -6.109 150 1HG GLU 17 2HG GLU 17 6.378 6.141 -7.550 151 2HG GLU 17 1HG GLU 17 5.895 5.753 -5.899 152 H GLU 18 H GLU 18 9.397 6.415 -7.563 153 HA GLU 18 HA GLU 18 9.691 7.070 -10.330 154 1HB GLU 18 2HB GLU 18 7.325 7.767 -9.730 155 2HB GLU 18 1HB GLU 18 8.039 8.950 -8.644 156 1HG GLU 18 2HG GLU 18 9.274 9.869 -10.638 157 2HG GLU 18 1HG GLU 18 8.269 8.823 -11.637 158 H PHE 19 H PHE 19 11.326 6.621 -7.962 159 HA PHE 19 HA PHE 19 13.112 8.813 -8.245 160 1HB PHE 19 2HB PHE 19 11.140 9.318 -6.415 161 2HB PHE 19 1HB PHE 19 12.405 8.637 -5.397 162 HD1 PHE 19 HD1 PHE 19 14.843 9.617 -6.644 163 HD2 PHE 19 HD2 PHE 19 11.126 11.588 -6.010 164 HE1 PHE 19 HE1 PHE 19 16.001 11.788 -6.627 165 HE2 PHE 19 HE2 PHE 19 12.277 13.762 -5.991 166 HZ PHE 19 HZ PHE 19 14.718 13.864 -6.301 167 H ARG 20 H ARG 20 12.273 6.427 -5.706 168 HA ARG 20 HA ARG 20 14.752 5.009 -6.237 169 1HB ARG 20 2HB ARG 20 15.882 6.061 -4.614 170 2HB ARG 20 1HB ARG 20 14.433 6.856 -4.024 171 1HG ARG 20 2HG ARG 20 13.951 5.111 -2.531 172 2HG ARG 20 1HG ARG 20 15.069 4.006 -3.330 173 1HD ARG 20 2HD ARG 20 16.811 5.893 -2.671 174 2HD ARG 20 1HD ARG 20 15.611 6.215 -1.419 175 HE ARG 20 HE ARG 20 16.224 4.270 -0.378 176 1HH1 ARG 20 2HH1 ARG 20 17.491 4.259 -3.629 177 2HH1 ARG 20 1HH1 ARG 20 18.454 2.840 -3.383 178 1HH2 ARG 20 1HH2 ARG 20 17.489 2.403 -0.051 179 2HH2 ARG 20 2HH2 ARG 20 18.452 1.786 -1.351 180 HA PRO 21 HA PRO 21 12.372 1.431 -5.242 181 1HB PRO 21 2HB PRO 21 14.752 0.285 -3.931 182 2HB PRO 21 1HB PRO 21 13.856 -0.292 -5.338 183 1HG PRO 21 2HG PRO 21 16.287 0.799 -5.585 184 2HG PRO 21 1HG PRO 21 15.025 1.060 -6.803 185 1HD PRO 21 2HD PRO 21 15.965 2.886 -4.625 186 2HD PRO 21 1HD PRO 21 15.533 3.265 -6.306 187 H PHE 22 H PHE 22 10.884 1.570 -3.681 188 HA PHE 22 HA PHE 22 11.752 1.939 -0.904 189 1HB PHE 22 2HB PHE 22 9.493 2.858 -2.444 190 2HB PHE 22 1HB PHE 22 8.936 1.977 -1.025 191 HD1 PHE 22 HD1 PHE 22 10.082 5.082 -2.257 192 HD2 PHE 22 HD2 PHE 22 10.013 2.648 1.233 193 HE1 PHE 22 HE1 PHE 22 10.501 7.069 -0.868 194 HE2 PHE 22 HE2 PHE 22 10.432 4.630 2.628 195 HZ PHE 22 HZ PHE 22 10.675 6.844 1.578 196 H VAL 23 H VAL 23 9.223 0.073 -2.609 197 HA VAL 23 HA VAL 23 8.989 -1.832 -0.501 198 HB VAL 23 HB VAL 23 7.565 -3.107 -2.042 199 1HG1 VAL 23 1HG1 VAL 23 6.104 -0.925 -2.675 200 2HG1 VAL 23 2HG1 VAL 23 7.175 -0.252 -1.447 201 3HG1 VAL 23 3HG1 VAL 23 6.161 -1.644 -1.066 202 1HG2 VAL 23 1HG2 VAL 23 8.236 -3.005 -4.192 203 2HG2 VAL 23 2HG2 VAL 23 8.873 -1.370 -4.029 204 3HG2 VAL 23 3HG2 VAL 23 7.142 -1.624 -4.255 205 H ASP 24 H ASP 24 11.332 -1.441 -2.878 206 HA ASP 24 HA ASP 24 11.945 -3.952 -3.803 207 1HB ASP 24 2HB ASP 24 13.171 -1.902 -4.437 208 2HB ASP 24 1HB ASP 24 13.922 -1.867 -2.844 209 H TYR 25 H TYR 25 12.266 -2.699 -0.580 210 HA TYR 25 HA TYR 25 14.095 -4.535 0.479 211 1HB TYR 25 2HB TYR 25 13.434 -3.766 2.597 212 2HB TYR 25 1HB TYR 25 13.117 -2.398 1.539 213 HD1 TYR 25 HD1 TYR 25 10.639 -2.389 0.528 214 HD2 TYR 25 HD2 TYR 25 11.806 -4.332 4.128 215 HE1 TYR 25 HE1 TYR 25 8.311 -2.313 1.316 216 HE2 TYR 25 HE2 TYR 25 9.482 -4.264 4.925 217 HH TYR 25 HH TYR 25 7.090 -4.133 3.621 218 H LYS 26 H LYS 26 10.615 -4.725 -0.038 219 HA LYS 26 HA LYS 26 10.101 -7.071 1.408 220 1HB LYS 26 2HB LYS 26 8.362 -5.552 0.466 221 2HB LYS 26 1HB LYS 26 8.742 -6.165 -1.137 222 1HG LYS 26 2HG LYS 26 7.797 -8.224 -0.725 223 2HG LYS 26 1HG LYS 26 7.976 -8.071 1.024 224 1HD LYS 26 2HD LYS 26 6.320 -5.983 0.464 225 2HD LYS 26 1HD LYS 26 5.812 -7.168 -0.742 226 1HE LYS 26 2HE LYS 26 6.153 -7.942 2.133 227 2HE LYS 26 1HE LYS 26 4.667 -7.176 1.572 228 1HZ LYS 26 1HZ LYS 26 5.807 -9.779 0.749 229 2HZ LYS 26 2HZ LYS 26 4.622 -8.994 -0.169 230 3HZ LYS 26 3HZ LYS 26 4.286 -9.464 1.421 231 H ALA 27 H ALA 27 11.185 -6.577 -1.920 232 HA ALA 27 HA ALA 27 11.057 -9.271 -2.735 233 1HB ALA 27 1HB ALA 27 13.134 -7.418 -3.817 234 2HB ALA 27 2HB ALA 27 11.427 -7.084 -4.110 235 3HB ALA 27 3HB ALA 27 12.137 -8.602 -4.660 236 H GLY 28 H GLY 28 13.388 -7.459 -0.886 237 1HA GLY 28 2HA GLY 28 15.256 -9.730 -0.940 238 2HA GLY 28 1HA GLY 28 15.647 -8.099 -0.415 239 H LEU 29 H LEU 29 12.645 -9.122 0.776 240 HA LEU 29 HA LEU 29 13.293 -8.918 3.438 241 1HB LEU 29 2HB LEU 29 11.062 -10.035 1.902 242 2HB LEU 29 1HB LEU 29 11.246 -10.734 3.498 243 HG LEU 29 HG LEU 29 11.072 -7.763 3.033 244 1HD1 LEU 29 1HD1 LEU 29 8.814 -7.794 3.098 245 2HD1 LEU 29 2HD1 LEU 29 8.753 -9.232 4.117 246 3HD1 LEU 29 3HD1 LEU 29 9.048 -9.391 2.385 247 1HD2 LEU 29 1HD2 LEU 29 11.834 -7.887 5.156 248 2HD2 LEU 29 2HD2 LEU 29 11.280 -9.548 5.373 249 3HD2 LEU 29 3HD2 LEU 29 10.136 -8.212 5.509 250 H GLU 30 H GLU 30 13.847 -11.560 1.315 251 HA GLU 30 HA GLU 30 15.604 -12.863 3.067 252 1HB GLU 30 2HB GLU 30 14.362 -14.883 3.610 253 2HB GLU 30 1HB GLU 30 13.534 -13.473 4.256 254 1HG GLU 30 2HG GLU 30 11.820 -13.610 2.696 255 2HG GLU 30 1HG GLU 30 12.766 -14.620 1.604 256 H LYS 31 H LYS 31 15.739 -12.052 0.454 257 HA LYS 31 HA LYS 31 16.201 -12.688 -1.681 258 1HB LYS 31 2HB LYS 31 17.714 -14.564 -1.888 259 2HB LYS 31 1HB LYS 31 18.100 -13.668 -0.427 260 1HG LYS 31 2HG LYS 31 17.103 -15.329 0.952 261 2HG LYS 31 1HG LYS 31 16.414 -16.157 -0.445 262 1HD LYS 31 2HD LYS 31 18.292 -17.313 -0.785 263 2HD LYS 31 1HD LYS 31 19.281 -15.854 -0.702 264 1HE LYS 31 2HE LYS 31 18.343 -17.579 1.582 265 2HE LYS 31 1HE LYS 31 20.000 -17.318 1.040 266 1HZ LYS 31 1HZ LYS 31 18.295 -15.626 2.679 267 2HZ LYS 31 2HZ LYS 31 19.277 -14.823 1.560 268 3HZ LYS 31 3HZ LYS 31 19.973 -15.838 2.721 269 H LYS 32 H LYS 32 13.585 -13.131 -0.980 270 HA LYS 32 HA LYS 32 12.518 -15.649 -1.441 271 1HB LYS 32 2HB LYS 32 11.292 -13.561 -0.706 272 2HB LYS 32 1HB LYS 32 11.263 -13.076 -2.395 273 1HG LYS 32 2HG LYS 32 10.270 -15.786 -1.885 274 2HG LYS 32 1HG LYS 32 9.316 -14.493 -1.156 275 1HD LYS 32 2HD LYS 32 9.756 -13.495 -3.647 276 2HD LYS 32 1HD LYS 32 9.667 -15.226 -3.979 277 1HE LYS 32 2HE LYS 32 7.509 -15.343 -2.854 278 2HE LYS 32 1HE LYS 32 7.602 -13.624 -2.472 279 1HZ LYS 32 1HZ LYS 32 6.419 -13.445 -4.358 280 2HZ LYS 32 2HZ LYS 32 6.937 -14.931 -4.976 281 3HZ LYS 32 3HZ LYS 32 7.929 -13.567 -5.112 282 H LYS 33 H LYS 33 12.585 -13.052 -3.890 283 HA LYS 33 HA LYS 33 13.638 -14.780 -5.909 284 1HB LYS 33 2HB LYS 33 10.727 -14.477 -5.625 285 2HB LYS 33 1HB LYS 33 11.331 -14.155 -7.245 286 1HG LYS 33 2HG LYS 33 12.640 -16.450 -6.672 287 2HG LYS 33 1HG LYS 33 11.145 -16.681 -5.763 288 1HD LYS 33 2HD LYS 33 11.316 -15.963 -8.689 289 2HD LYS 33 1HD LYS 33 10.998 -17.577 -8.052 290 1HE LYS 33 2HE LYS 33 9.069 -16.329 -6.769 291 2HE LYS 33 1HE LYS 33 9.253 -15.162 -8.079 292 1HZ LYS 33 1HZ LYS 33 7.577 -16.830 -8.587 293 2HZ LYS 33 2HZ LYS 33 8.721 -18.064 -8.423 294 3HZ LYS 33 3HZ LYS 33 8.874 -16.932 -9.671 295 H LEU 34 H LEU 34 15.049 -13.334 -6.672 296 HA LEU 34 HA LEU 34 14.177 -10.582 -7.154 297 1HB LEU 34 2HB LEU 34 16.971 -11.610 -7.535 298 2HB LEU 34 1HB LEU 34 16.445 -9.970 -7.212 299 HG LEU 34 HG LEU 34 16.437 -12.265 -5.252 300 1HD1 LEU 34 1HD1 LEU 34 18.004 -9.703 -5.129 301 2HD1 LEU 34 2HD1 LEU 34 18.639 -11.175 -5.863 302 3HD1 LEU 34 3HD1 LEU 34 18.205 -11.160 -4.154 303 1HD2 LEU 34 1HD2 LEU 34 14.538 -10.552 -5.101 304 2HD2 LEU 34 2HD2 LEU 34 15.789 -9.405 -4.624 305 3HD2 LEU 34 3HD2 LEU 34 15.499 -10.847 -3.652 306 H SER 35 H SER 35 12.849 -11.226 -8.981 307 HA SER 35 HA SER 35 14.239 -12.186 -11.347 308 1HB SER 35 2HB SER 35 11.936 -12.990 -10.726 309 2HB SER 35 1HB SER 35 11.337 -11.372 -11.090 310 HG SER 35 HG SER 35 12.818 -12.890 -12.961 311 H ASP 36 H ASP 36 13.851 -11.048 -13.440 312 HA ASP 36 HA ASP 36 14.308 -8.181 -13.062 313 1HB ASP 36 2HB ASP 36 14.725 -9.808 -15.575 314 2HB ASP 36 1HB ASP 36 15.330 -8.188 -15.239 315 H ASP 37 H ASP 37 11.899 -10.351 -14.103 316 HA ASP 37 HA ASP 37 10.519 -8.223 -15.593 317 1HB ASP 37 2HB ASP 37 10.556 -11.186 -15.829 318 2HB ASP 37 1HB ASP 37 9.034 -10.373 -16.175 319 H ASP 38 H ASP 38 10.656 -8.584 -12.630 320 HA ASP 38 HA ASP 38 8.252 -9.613 -11.623 321 1HB ASP 38 2HB ASP 38 10.453 -8.716 -10.439 322 2HB ASP 38 1HB ASP 38 9.499 -7.242 -10.307 323 H GLU 39 H GLU 39 6.605 -8.151 -10.454 324 HA GLU 39 HA GLU 39 6.026 -5.649 -11.774 325 1HB GLU 39 2HB GLU 39 4.604 -8.158 -12.446 326 2HB GLU 39 1HB GLU 39 3.596 -6.741 -12.185 327 1HG GLU 39 2HG GLU 39 5.114 -5.551 -13.838 328 2HG GLU 39 1HG GLU 39 5.741 -7.150 -14.239 329 H ILE 40 H ILE 40 5.441 -4.358 -10.185 330 HA ILE 40 HA ILE 40 3.534 -5.321 -8.174 331 HB ILE 40 HB ILE 40 5.929 -3.641 -7.442 332 1HG1 ILE 40 2HG1 ILE 40 5.504 -6.617 -7.089 333 2HG1 ILE 40 1HG1 ILE 40 6.707 -5.853 -8.122 334 1HG2 ILE 40 1HG2 ILE 40 5.244 -4.413 -5.129 335 2HG2 ILE 40 2HG2 ILE 40 3.744 -4.975 -5.868 336 3HG2 ILE 40 3HG2 ILE 40 4.167 -3.264 -5.923 337 1HD1 ILE 40 1HD1 ILE 40 7.991 -6.371 -6.319 338 2HD1 ILE 40 2HD1 ILE 40 6.661 -6.177 -5.176 339 3HD1 ILE 40 3HD1 ILE 40 7.457 -4.755 -5.850 340 H ALA 41 H ALA 41 2.447 -3.526 -7.016 341 HA ALA 41 HA ALA 41 2.644 -0.901 -8.239 342 1HB ALA 41 1HB ALA 41 0.675 -0.841 -9.350 343 2HB ALA 41 2HB ALA 41 -0.114 -1.961 -8.240 344 3HB ALA 41 3HB ALA 41 0.976 -2.573 -9.484 345 H ILE 42 H ILE 42 2.032 0.718 -6.912 346 HA ILE 42 HA ILE 42 0.932 -0.048 -4.289 347 HB ILE 42 HB ILE 42 2.458 2.477 -4.921 348 1HG1 ILE 42 2HG1 ILE 42 3.868 0.478 -5.312 349 2HG1 ILE 42 1HG1 ILE 42 4.421 1.428 -3.936 350 1HG2 ILE 42 1HG2 ILE 42 1.827 1.137 -2.295 351 2HG2 ILE 42 2HG2 ILE 42 0.987 2.541 -2.955 352 3HG2 ILE 42 3HG2 ILE 42 2.692 2.658 -2.515 353 1HD1 ILE 42 1HD1 ILE 42 2.559 -0.613 -3.115 354 2HD1 ILE 42 2HD1 ILE 42 4.207 -0.302 -2.571 355 3HD1 ILE 42 3HD1 ILE 42 3.923 -1.297 -3.999 356 H ILE 43 H ILE 43 -1.031 0.686 -3.751 357 HA ILE 43 HA ILE 43 -2.205 2.804 -5.426 358 HB ILE 43 HB ILE 43 -3.708 0.739 -3.823 359 1HG1 ILE 43 2HG1 ILE 43 -3.055 0.766 -6.779 360 2HG1 ILE 43 1HG1 ILE 43 -2.380 -0.342 -5.588 361 1HG2 ILE 43 1HG2 ILE 43 -4.456 3.027 -5.520 362 2HG2 ILE 43 2HG2 ILE 43 -5.316 2.280 -4.173 363 3HG2 ILE 43 3HG2 ILE 43 -5.380 1.547 -5.775 364 1HD1 ILE 43 1HD1 ILE 43 -4.097 -1.713 -5.823 365 2HD1 ILE 43 2HD1 ILE 43 -4.672 -0.690 -7.139 366 3HD1 ILE 43 3HD1 ILE 43 -5.245 -0.415 -5.494 367 H SER 44 H SER 44 -2.613 4.681 -4.515 368 HA SER 44 HA SER 44 -3.170 4.799 -1.630 369 1HB SER 44 2HB SER 44 -1.797 7.164 -2.702 370 2HB SER 44 1HB SER 44 -1.506 6.274 -1.209 371 HG SER 44 HG SER 44 -0.638 5.521 -3.806 372 H ILE 45 H ILE 45 -4.733 6.287 -1.008 373 HA ILE 45 HA ILE 45 -5.851 8.053 -3.051 374 HB ILE 45 HB ILE 45 -7.620 6.120 -1.555 375 1HG1 ILE 45 2HG1 ILE 45 -7.951 5.258 -4.005 376 2HG1 ILE 45 1HG1 ILE 45 -6.367 5.978 -4.277 377 1HG2 ILE 45 1HG2 ILE 45 -8.083 8.317 -3.516 378 2HG2 ILE 45 2HG2 ILE 45 -8.969 7.914 -2.045 379 3HG2 ILE 45 3HG2 ILE 45 -9.175 6.932 -3.495 380 1HD1 ILE 45 1HD1 ILE 45 -6.971 3.447 -3.218 381 2HD1 ILE 45 2HD1 ILE 45 -6.271 4.397 -1.909 382 3HD1 ILE 45 3HD1 ILE 45 -5.388 4.193 -3.422 383 H LYS 46 H LYS 46 -4.632 9.358 -1.319 384 HA LYS 46 HA LYS 46 -4.621 10.736 0.506 385 1HB LYS 46 2HB LYS 46 -6.330 11.765 -0.987 386 2HB LYS 46 1HB LYS 46 -7.575 10.887 -0.110 387 1HG LYS 46 2HG LYS 46 -6.111 12.209 1.856 388 2HG LYS 46 1HG LYS 46 -6.270 13.372 0.540 389 1HD LYS 46 2HD LYS 46 -8.340 13.799 1.233 390 2HD LYS 46 1HD LYS 46 -8.785 12.149 0.799 391 1HE LYS 46 2HE LYS 46 -9.106 11.658 2.937 392 2HE LYS 46 1HE LYS 46 -7.434 12.082 3.301 393 1HZ LYS 46 1HZ LYS 46 -9.220 14.334 2.976 394 2HZ LYS 46 2HZ LYS 46 -8.033 14.053 4.147 395 3HZ LYS 46 3HZ LYS 46 -9.563 13.349 4.308 396 H GLY 47 H GLY 47 -5.076 7.888 1.071 397 1HA GLY 47 2HA GLY 47 -7.005 7.732 3.195 398 2HA GLY 47 1HA GLY 47 -5.830 6.500 2.759 399 H THR 48 H THR 48 -5.670 9.850 3.990 400 HA THR 48 HA THR 48 -4.320 10.790 5.573 401 HB THR 48 HB THR 48 -4.329 9.519 7.766 402 HG1 THR 48 HG1 THR 48 -4.568 7.435 6.582 403 1HG2 THR 48 1HG2 THR 48 -6.196 11.080 6.909 404 2HG2 THR 48 2HG2 THR 48 -6.520 10.021 8.281 405 3HG2 THR 48 3HG2 THR 48 -7.106 9.588 6.675 406 H GLN 49 H GLN 49 -2.525 10.357 4.008 407 HA GLN 49 HA GLN 49 -0.448 9.594 3.447 408 1HB GLN 49 2HB GLN 49 1.165 9.603 5.300 409 2HB GLN 49 1HB GLN 49 0.087 10.991 5.368 410 1HG GLN 49 2HG GLN 49 -1.124 10.085 7.178 411 2HG GLN 49 1HG GLN 49 -0.383 8.499 6.974 412 1HE2 GLN 49 1HE2 GLN 49 1.222 8.027 8.285 413 2HE2 GLN 49 2HE2 GLN 49 2.202 9.159 9.146 414 H SER 50 H SER 50 -2.065 7.537 3.103 415 HA SER 50 HA SER 50 -0.439 5.273 3.965 416 1HB SER 50 2HB SER 50 -2.672 5.762 5.392 417 2HB SER 50 1HB SER 50 -3.368 4.802 4.085 418 HG SER 50 HG SER 50 -1.635 3.254 4.577 419 H ASN 51 H ASN 51 -0.717 3.383 2.654 420 HA ASN 51 HA ASN 51 -2.327 3.635 0.248 421 1HB ASN 51 2HB ASN 51 -0.272 3.018 -1.154 422 2HB ASN 51 1HB ASN 51 -0.387 4.685 -0.595 423 1HD2 ASN 51 1HD2 ASN 51 1.362 1.735 -0.441 424 2HD2 ASN 51 2HD2 ASN 51 2.658 2.300 0.552 425 H HIS 52 H HIS 52 -1.620 1.568 -1.218 426 HA HIS 52 HA HIS 52 -1.531 -0.739 0.613 427 1HB HIS 52 2HB HIS 52 -3.136 -0.664 -1.942 428 2HB HIS 52 1HB HIS 52 -3.199 -1.871 -0.662 429 HD1 HIS 52 HD1 HIS 52 -3.974 -0.680 1.778 430 HD2 HIS 52 HD2 HIS 52 -5.195 1.063 -1.790 431 HE1 HIS 52 HE1 HIS 52 -5.951 0.756 2.373 432 HE2 HIS 52 HE2 HIS 52 -6.620 1.866 0.213 433 H VAL 53 H VAL 53 -0.075 -2.265 0.142 434 HA VAL 53 HA VAL 53 1.355 -2.048 -2.421 435 HB VAL 53 HB VAL 53 2.325 -3.382 0.109 436 1HG1 VAL 53 1HG1 VAL 53 4.225 -3.910 -0.982 437 2HG1 VAL 53 2HG1 VAL 53 4.210 -2.433 -1.945 438 3HG1 VAL 53 3HG1 VAL 53 3.198 -3.799 -2.410 439 1HG2 VAL 53 1HG2 VAL 53 3.622 -0.896 -0.756 440 2HG2 VAL 53 2HG2 VAL 53 3.184 -1.447 0.861 441 3HG2 VAL 53 3HG2 VAL 53 1.968 -0.698 -0.174 442 H LEU 54 H LEU 54 0.266 -3.404 -3.768 443 HA LEU 54 HA LEU 54 -0.167 -6.167 -2.853 444 1HB LEU 54 2HB LEU 54 -1.742 -4.325 -4.455 445 2HB LEU 54 1HB LEU 54 -1.506 -5.858 -5.271 446 HG LEU 54 HG LEU 54 -2.498 -7.056 -3.417 447 1HD1 LEU 54 1HD1 LEU 54 -2.567 -4.353 -2.102 448 2HD1 LEU 54 2HD1 LEU 54 -1.794 -5.830 -1.524 449 3HD1 LEU 54 3HD1 LEU 54 -3.553 -5.711 -1.560 450 1HD2 LEU 54 1HD2 LEU 54 -3.848 -5.591 -5.205 451 2HD2 LEU 54 2HD2 LEU 54 -4.449 -4.859 -3.717 452 3HD2 LEU 54 3HD2 LEU 54 -4.638 -6.592 -3.986 453 H PHE 55 H PHE 55 0.523 -7.894 -4.099 454 HA PHE 55 HA PHE 55 2.631 -7.240 -6.026 455 1HB PHE 55 2HB PHE 55 3.352 -8.652 -4.196 456 2HB PHE 55 1HB PHE 55 2.036 -9.782 -4.495 457 HD1 PHE 55 HD1 PHE 55 4.286 -8.184 -6.978 458 HD2 PHE 55 HD2 PHE 55 3.157 -11.767 -4.976 459 HE1 PHE 55 HE1 PHE 55 5.743 -9.479 -8.481 460 HE2 PHE 55 HE2 PHE 55 4.613 -13.067 -6.474 461 HZ PHE 55 HZ PHE 55 5.907 -11.924 -8.229 462 H LEU 56 H LEU 56 2.490 -7.760 -8.130 463 HA LEU 56 HA LEU 56 0.078 -9.199 -9.003 464 1HB LEU 56 2HB LEU 56 1.792 -7.416 -10.717 465 2HB LEU 56 1HB LEU 56 0.168 -7.990 -11.045 466 HG LEU 56 HG LEU 56 0.793 -6.130 -8.760 467 1HD1 LEU 56 1HD1 LEU 56 1.345 -4.672 -10.398 468 2HD1 LEU 56 2HD1 LEU 56 -0.407 -4.529 -10.539 469 3HD1 LEU 56 3HD1 LEU 56 0.485 -5.575 -11.644 470 1HD2 LEU 56 1HD2 LEU 56 -1.290 -6.991 -8.334 471 2HD2 LEU 56 2HD2 LEU 56 -1.668 -7.214 -10.043 472 3HD2 LEU 56 3HD2 LEU 56 -1.710 -5.599 -9.335 473 H SER 57 H SER 57 0.276 -11.093 -10.015 474 HA SER 57 HA SER 57 2.974 -12.047 -10.634 475 1HB SER 57 2HB SER 57 1.495 -14.251 -10.964 476 2HB SER 57 1HB SER 57 2.044 -13.720 -9.374 477 HG SER 57 HG SER 57 -0.103 -14.038 -9.141 478 H SER 58 H SER 58 1.724 -10.163 -12.388 479 HA SER 58 HA SER 58 1.446 -9.788 -14.612 480 1HB SER 58 2HB SER 58 2.664 -11.084 -16.107 481 2HB SER 58 1HB SER 58 3.472 -11.453 -14.585 482 HG SER 58 HG SER 58 1.573 -13.021 -15.979 483 H TYR 59 H TYR 59 -0.271 -9.829 -15.957 484 HA TYR 59 HA TYR 59 -1.890 -12.179 -16.298 485 1HB TYR 59 2HB TYR 59 -3.987 -10.852 -15.523 486 2HB TYR 59 1HB TYR 59 -2.986 -11.651 -14.319 487 HD1 TYR 59 HD1 TYR 59 -3.899 -10.212 -12.570 488 HD2 TYR 59 HD2 TYR 59 -1.789 -8.562 -15.877 489 HE1 TYR 59 HE1 TYR 59 -3.666 -8.090 -11.355 490 HE2 TYR 59 HE2 TYR 59 -1.550 -6.435 -14.670 491 HH TYR 59 HH TYR 59 -2.577 -5.212 -12.869 492 H ASN 60 H ASN 60 -0.394 -10.230 -17.910 493 HA ASN 60 HA ASN 60 -0.586 -8.923 -19.772 494 1HB ASN 60 2HB ASN 60 -1.980 -9.868 -21.506 495 2HB ASN 60 1HB ASN 60 -1.260 -11.177 -20.576 496 1HD2 ASN 60 1HD2 ASN 60 -4.175 -9.509 -21.398 497 2HD2 ASN 60 2HD2 ASN 60 -5.271 -10.647 -20.698 498 H SER 61 H SER 61 -2.632 -8.033 -21.329 499 HA SER 61 HA SER 61 -3.916 -6.112 -19.544 500 1HB SER 61 2HB SER 61 -4.590 -5.244 -22.011 501 2HB SER 61 1HB SER 61 -3.067 -4.827 -21.225 502 HG SER 61 HG SER 61 -2.434 -5.610 -23.140 503 H VAL 62 H VAL 62 -6.045 -6.066 -19.147 504 HA VAL 62 HA VAL 62 -8.074 -6.938 -20.858 505 HB VAL 62 HB VAL 62 -7.153 -9.184 -20.433 506 1HG1 VAL 62 1HG1 VAL 62 -7.317 -8.276 -17.647 507 2HG1 VAL 62 2HG1 VAL 62 -6.255 -9.468 -18.397 508 3HG1 VAL 62 3HG1 VAL 62 -7.894 -9.918 -17.927 509 1HG2 VAL 62 1HG2 VAL 62 -9.206 -10.246 -20.131 510 2HG2 VAL 62 2HG2 VAL 62 -9.648 -8.649 -20.736 511 3HG2 VAL 62 3HG2 VAL 62 -9.790 -9.011 -19.017 512 H ASP 63 H ASP 63 -10.208 -6.959 -19.817 513 HA ASP 63 HA ASP 63 -10.616 -4.813 -18.127 514 1HB ASP 63 2HB ASP 63 -12.903 -5.662 -17.839 515 2HB ASP 63 1HB ASP 63 -12.382 -5.779 -19.518 516 H GLU 64 H GLU 64 -9.696 -8.044 -17.315 517 HA GLU 64 HA GLU 64 -10.650 -8.223 -14.694 518 1HB GLU 64 2HB GLU 64 -8.217 -9.408 -16.024 519 2HB GLU 64 1HB GLU 64 -8.672 -9.787 -14.369 520 1HG GLU 64 2HG GLU 64 -10.743 -10.103 -16.462 521 2HG GLU 64 1HG GLU 64 -9.423 -11.271 -16.431 522 H ILE 65 H ILE 65 -7.506 -7.062 -15.889 523 HA ILE 65 HA ILE 65 -6.491 -6.339 -13.360 524 HB ILE 65 HB ILE 65 -4.804 -5.056 -14.564 525 1HG1 ILE 65 2HG1 ILE 65 -5.871 -5.758 -17.232 526 2HG1 ILE 65 1HG1 ILE 65 -6.733 -4.481 -16.384 527 1HG2 ILE 65 1HG2 ILE 65 -3.864 -6.864 -15.887 528 2HG2 ILE 65 2HG2 ILE 65 -5.438 -7.657 -15.951 529 3HG2 ILE 65 3HG2 ILE 65 -4.595 -7.494 -14.410 530 1HD1 ILE 65 1HD1 ILE 65 -3.804 -4.521 -17.062 531 2HD1 ILE 65 2HD1 ILE 65 -4.612 -3.261 -16.128 532 3HD1 ILE 65 3HD1 ILE 65 -5.054 -3.529 -17.814 533 H ARG 66 H ARG 66 -8.693 -4.761 -15.517 534 HA ARG 66 HA ARG 66 -8.341 -2.130 -14.418 535 1HB ARG 66 2HB ARG 66 -9.504 -3.142 -16.710 536 2HB ARG 66 1HB ARG 66 -10.892 -2.642 -15.754 537 1HG ARG 66 2HG ARG 66 -8.832 -0.625 -15.715 538 2HG ARG 66 1HG ARG 66 -9.287 -1.042 -17.367 539 1HD ARG 66 2HD ARG 66 -11.392 -0.526 -15.305 540 2HD ARG 66 1HD ARG 66 -10.585 0.820 -16.104 541 HE ARG 66 HE ARG 66 -11.518 0.125 -18.165 542 1HH1 ARG 66 2HH1 ARG 66 -12.654 -1.776 -15.457 543 2HH1 ARG 66 1HH1 ARG 66 -14.036 -2.375 -16.305 544 1HH2 ARG 66 1HH2 ARG 66 -13.334 -0.675 -19.273 545 2HH2 ARG 66 2HH2 ARG 66 -14.423 -1.754 -18.465 546 H LYS 67 H LYS 67 -10.466 -4.862 -13.872 547 HA LYS 67 HA LYS 67 -12.129 -3.384 -12.010 548 1HB LYS 67 2HB LYS 67 -12.617 -5.521 -13.643 549 2HB LYS 67 1HB LYS 67 -12.386 -6.315 -12.092 550 1HG LYS 67 2HG LYS 67 -14.303 -5.501 -11.235 551 2HG LYS 67 1HG LYS 67 -14.151 -3.956 -12.075 552 1HD LYS 67 2HD LYS 67 -14.655 -5.347 -14.203 553 2HD LYS 67 1HD LYS 67 -15.268 -6.552 -13.070 554 1HE LYS 67 2HE LYS 67 -16.168 -3.686 -13.007 555 2HE LYS 67 1HE LYS 67 -16.947 -4.890 -14.030 556 1HZ LYS 67 1HZ LYS 67 -17.727 -4.387 -11.558 557 2HZ LYS 67 2HZ LYS 67 -16.591 -5.594 -11.228 558 3HZ LYS 67 3HZ LYS 67 -17.885 -5.915 -12.268 559 H GLU 68 H GLU 68 -9.609 -5.846 -11.945 560 HA GLU 68 HA GLU 68 -9.768 -6.526 -9.230 561 1HB GLU 68 2HB GLU 68 -8.331 -7.490 -11.250 562 2HB GLU 68 1HB GLU 68 -7.102 -6.437 -10.562 563 1HG GLU 68 2HG GLU 68 -8.245 -7.854 -8.416 564 2HG GLU 68 1HG GLU 68 -7.957 -9.023 -9.705 565 H LEU 69 H LEU 69 -7.558 -4.232 -10.834 566 HA LEU 69 HA LEU 69 -6.456 -3.222 -8.445 567 1HB LEU 69 2HB LEU 69 -6.380 -2.551 -11.299 568 2HB LEU 69 1HB LEU 69 -6.190 -1.163 -10.243 569 HG LEU 69 HG LEU 69 -4.264 -2.185 -9.175 570 1HD1 LEU 69 1HD1 LEU 69 -4.954 -4.530 -10.920 571 2HD1 LEU 69 2HD1 LEU 69 -4.747 -4.484 -9.169 572 3HD1 LEU 69 3HD1 LEU 69 -3.347 -4.306 -10.227 573 1HD2 LEU 69 1HD2 LEU 69 -4.361 -1.837 -12.117 574 2HD2 LEU 69 2HD2 LEU 69 -2.905 -2.555 -11.428 575 3HD2 LEU 69 3HD2 LEU 69 -3.436 -0.958 -10.900 576 H GLU 70 H GLU 70 -8.976 -1.895 -10.589 577 HA GLU 70 HA GLU 70 -9.548 0.399 -9.117 578 1HB GLU 70 2HB GLU 70 -10.409 -0.149 -11.410 579 2HB GLU 70 1HB GLU 70 -11.554 -1.253 -10.662 580 1HG GLU 70 2HG GLU 70 -12.891 0.557 -10.814 581 2HG GLU 70 1HG GLU 70 -12.139 0.929 -9.264 582 H GLU 71 H GLU 71 -10.492 -2.922 -8.623 583 HA GLU 71 HA GLU 71 -12.585 -2.465 -6.775 584 1HB GLU 71 2HB GLU 71 -10.933 -4.778 -7.621 585 2HB GLU 71 1HB GLU 71 -11.685 -4.897 -6.036 586 1HG GLU 71 2HG GLU 71 -13.366 -4.055 -8.335 587 2HG GLU 71 1HG GLU 71 -12.895 -5.750 -8.209 588 H ALA 72 H ALA 72 -9.109 -3.055 -6.394 589 HA ALA 72 HA ALA 72 -9.219 -2.900 -3.526 590 1HB ALA 72 1HB ALA 72 -6.783 -3.036 -3.632 591 2HB ALA 72 2HB ALA 72 -6.840 -2.820 -5.381 592 3HB ALA 72 3HB ALA 72 -7.533 -4.267 -4.649 593 H GLY 73 H GLY 73 -8.808 -0.661 -6.141 594 1HA GLY 73 2HA GLY 73 -7.419 1.408 -4.892 595 2HA GLY 73 1HA GLY 73 -8.597 1.623 -6.178 596 H ALA 74 H ALA 74 -10.966 1.156 -5.231 597 HA ALA 74 HA ALA 74 -11.493 1.919 -2.568 598 1HB ALA 74 1HB ALA 74 -11.903 4.164 -2.634 599 2HB ALA 74 2HB ALA 74 -12.239 4.166 -4.364 600 3HB ALA 74 3HB ALA 74 -10.575 4.065 -3.789 601 H LYS 75 H LYS 75 -12.577 -0.103 -3.732 602 HA LYS 75 HA LYS 75 -15.124 0.661 -4.947 603 1HB LYS 75 2HB LYS 75 -13.373 -1.471 -5.366 604 2HB LYS 75 1HB LYS 75 -14.753 -2.188 -4.550 605 1HG LYS 75 2HG LYS 75 -15.336 -2.384 -6.768 606 2HG LYS 75 1HG LYS 75 -16.149 -0.889 -6.304 607 1HD LYS 75 2HD LYS 75 -14.018 0.287 -7.130 608 2HD LYS 75 1HD LYS 75 -13.644 -1.246 -7.920 609 1HE LYS 75 2HE LYS 75 -16.381 -0.343 -8.378 610 2HE LYS 75 1HE LYS 75 -15.165 0.783 -8.980 611 1HZ LYS 75 1HZ LYS 75 -15.457 -0.632 -10.752 612 2HZ LYS 75 2HZ LYS 75 -15.671 -2.002 -9.784 613 3HZ LYS 75 3HZ LYS 75 -14.126 -1.341 -9.986 614 H ILE 76 H ILE 76 -16.968 -0.965 -4.225 615 HA ILE 76 HA ILE 76 -17.765 -0.204 -1.674 616 HB ILE 76 HB ILE 76 -19.618 -1.681 -1.883 617 1HG1 ILE 76 2HG1 ILE 76 -18.562 -3.774 -2.427 618 2HG1 ILE 76 1HG1 ILE 76 -19.715 -3.408 -3.703 619 1HG2 ILE 76 1HG2 ILE 76 -19.085 0.227 -3.673 620 2HG2 ILE 76 2HG2 ILE 76 -20.568 -0.729 -3.703 621 3HG2 ILE 76 3HG2 ILE 76 -19.223 -1.151 -4.764 622 1HD1 ILE 76 1HD1 ILE 76 -17.745 -4.261 -4.714 623 2HD1 ILE 76 2HD1 ILE 76 -16.726 -3.138 -3.813 624 3HD1 ILE 76 3HD1 ILE 76 -17.817 -2.533 -5.059 625 H ASN 77 H ASN 77 -17.029 -0.768 0.245 626 HA ASN 77 HA ASN 77 -16.039 -1.919 1.938 627 1HB ASN 77 2HB ASN 77 -18.143 -3.364 1.233 628 2HB ASN 77 1HB ASN 77 -16.903 -4.521 0.757 629 1HD2 ASN 77 1HD2 ASN 77 -16.269 -5.887 2.254 630 2HD2 ASN 77 2HD2 ASN 77 -16.412 -5.667 3.962 631 H HIS 78 H HIS 78 -13.880 -1.790 1.827 632 HA HIS 78 HA HIS 78 -12.465 -3.978 0.503 633 1HB HIS 78 2HB HIS 78 -12.439 -2.111 -1.104 634 2HB HIS 78 1HB HIS 78 -11.728 -1.067 0.123 635 HD1 HIS 78 HD1 HIS 78 -9.314 -0.776 -0.267 636 HD2 HIS 78 HD2 HIS 78 -10.593 -4.580 -1.345 637 HE1 HIS 78 HE1 HIS 78 -7.256 -1.973 -1.078 638 HE2 HIS 78 HE2 HIS 78 -8.056 -4.269 -1.738 639 H THR 79 H THR 79 -12.327 -4.636 2.760 640 HA THR 79 HA THR 79 -9.835 -4.046 3.898 641 HB THR 79 HB THR 79 -10.745 -1.930 4.570 642 HG1 THR 79 HG1 THR 79 -9.573 -2.626 6.234 643 1HG2 THR 79 1HG2 THR 79 -13.191 -2.988 4.539 644 2HG2 THR 79 2HG2 THR 79 -12.787 -1.511 5.413 645 3HG2 THR 79 3HG2 THR 79 -12.874 -3.048 6.272 646 H THR 80 H THR 80 -11.380 -6.324 3.232 647 HA THR 80 HA THR 80 -11.897 -7.513 5.874 648 HB THR 80 HB THR 80 -13.878 -7.647 4.574 649 HG1 THR 80 HG1 THR 80 -12.589 -10.144 4.226 650 1HG2 THR 80 1HG2 THR 80 -13.603 -9.085 2.347 651 2HG2 THR 80 2HG2 THR 80 -12.056 -8.239 2.333 652 3HG2 THR 80 3HG2 THR 80 -13.563 -7.322 2.369 653 H LEU 81 H LEU 81 -9.821 -7.565 3.165 654 HA LEU 81 HA LEU 81 -7.952 -8.768 2.690 655 1HB LEU 81 2HB LEU 81 -7.632 -8.567 5.186 656 2HB LEU 81 1HB LEU 81 -8.355 -10.157 5.333 657 HG LEU 81 HG LEU 81 -6.395 -10.658 3.513 658 1HD1 LEU 81 1HD1 LEU 81 -4.395 -9.527 4.835 659 2HD1 LEU 81 2HD1 LEU 81 -5.608 -8.272 5.085 660 3HD1 LEU 81 3HD1 LEU 81 -5.161 -8.752 3.448 661 1HD2 LEU 81 1HD2 LEU 81 -5.581 -12.024 5.120 662 2HD2 LEU 81 2HD2 LEU 81 -7.064 -11.556 5.952 663 3HD2 LEU 81 3HD2 LEU 81 -5.544 -10.751 6.339 664 H LYS 82 H LYS 82 -10.821 -9.811 2.322 665 HA LYS 82 HA LYS 82 -10.519 -12.671 2.328 666 1HB LYS 82 2HB LYS 82 -12.653 -10.738 1.614 667 2HB LYS 82 1HB LYS 82 -12.703 -12.297 0.803 668 1HG LYS 82 2HG LYS 82 -12.429 -12.143 3.776 669 2HG LYS 82 1HG LYS 82 -14.007 -11.977 3.003 670 1HD LYS 82 2HD LYS 82 -13.651 -14.145 1.879 671 2HD LYS 82 1HD LYS 82 -12.114 -14.310 2.729 672 1HE LYS 82 2HE LYS 82 -13.661 -13.888 4.837 673 2HE LYS 82 1HE LYS 82 -14.894 -14.533 3.755 674 1HZ LYS 82 1HZ LYS 82 -14.148 -16.460 4.640 675 2HZ LYS 82 2HZ LYS 82 -12.597 -15.866 4.961 676 3HZ LYS 82 3HZ LYS 82 -13.014 -16.337 3.390 677 H ILE 83 H ILE 83 -10.916 -10.233 -0.248 678 HA ILE 83 HA ILE 83 -10.501 -11.923 -2.417 679 HB ILE 83 HB ILE 83 -9.630 -9.814 -3.585 680 1HG1 ILE 83 2HG1 ILE 83 -10.770 -8.225 -1.357 681 2HG1 ILE 83 1HG1 ILE 83 -9.167 -8.898 -1.086 682 1HG2 ILE 83 1HG2 ILE 83 -11.764 -9.302 -4.112 683 2HG2 ILE 83 2HG2 ILE 83 -12.257 -9.144 -2.426 684 3HG2 ILE 83 3HG2 ILE 83 -12.115 -10.742 -3.156 685 1HD1 ILE 83 1HD1 ILE 83 -8.206 -7.430 -2.455 686 2HD1 ILE 83 2HD1 ILE 83 -9.716 -6.527 -2.321 687 3HD1 ILE 83 3HD1 ILE 83 -9.457 -7.616 -3.684 688 H LEU 84 H LEU 84 -8.201 -10.374 -0.278 689 HA LEU 84 HA LEU 84 -5.890 -10.913 -1.843 690 1HB LEU 84 2HB LEU 84 -6.128 -9.235 0.064 691 2HB LEU 84 1HB LEU 84 -5.967 -10.600 1.153 692 HG LEU 84 HG LEU 84 -3.854 -10.249 -0.906 693 1HD1 LEU 84 1HD1 LEU 84 -4.503 -7.989 0.280 694 2HD1 LEU 84 2HD1 LEU 84 -2.817 -8.449 0.042 695 3HD1 LEU 84 3HD1 LEU 84 -3.584 -8.692 1.612 696 1HD2 LEU 84 1HD2 LEU 84 -4.098 -12.070 0.936 697 2HD2 LEU 84 2HD2 LEU 84 -3.476 -10.810 2.003 698 3HD2 LEU 84 3HD2 LEU 84 -2.520 -11.348 0.623 699 H GLU 85 H GLU 85 -7.647 -12.652 0.652 700 HA GLU 85 HA GLU 85 -5.702 -14.745 0.891 701 1HB GLU 85 2HB GLU 85 -7.849 -13.908 2.398 702 2HB GLU 85 1HB GLU 85 -8.445 -15.402 1.686 703 1HG GLU 85 2HG GLU 85 -5.807 -15.225 3.106 704 2HG GLU 85 1HG GLU 85 -7.319 -15.582 3.939 705 H GLY 86 H GLY 86 -8.084 -13.969 -1.398 706 1HA GLY 86 2HA GLY 86 -8.417 -16.756 -2.243 707 2HA GLY 86 1HA GLY 86 -9.356 -15.386 -2.816 708 H HIS 87 H HIS 87 -6.914 -13.755 -3.267 709 HA HIS 87 HA HIS 87 -6.025 -15.114 -5.725 710 1HB HIS 87 2HB HIS 87 -5.839 -13.012 -6.801 711 2HB HIS 87 1HB HIS 87 -7.379 -12.978 -5.953 712 HD1 HIS 87 HD1 HIS 87 -7.783 -10.857 -4.762 713 HD2 HIS 87 HD2 HIS 87 -3.724 -11.695 -5.065 714 HE1 HIS 87 HE1 HIS 87 -6.611 -8.895 -3.710 715 HE2 HIS 87 HE2 HIS 87 -4.156 -9.385 -3.986 716 H LEU 88 HN LEU 88 -4.994 -13.317 -2.903 717 HA LEU 88 HA LEU 88 -2.198 -13.481 -3.721 718 1HB LEU 88 2HB LEU 88 -3.596 -11.568 -2.358 719 2HB LEU 88 1HB LEU 88 -2.819 -12.433 -1.046 720 HG LEU 88 HG LEU 88 -1.412 -10.602 -1.636 721 1HD1 LEU 88 1HD1 LEU 88 -0.005 -12.801 -3.060 722 2HD1 LEU 88 2HD1 LEU 88 -0.478 -13.048 -1.379 723 3HD1 LEU 88 3HD1 LEU 88 0.581 -11.704 -1.809 724 1HD2 LEU 88 1HD2 LEU 88 -1.832 -11.560 -4.447 725 2HD2 LEU 88 2HD2 LEU 88 -0.457 -10.544 -4.014 726 3HD2 LEU 88 3HD2 LEU 88 -2.100 -9.953 -3.770 Start of MODEL 17 1 1H LEU 1 1H LEU 1 -6.524 17.485 -5.830 2 2H LEU 1 2H LEU 1 -5.983 19.095 -5.586 3 3H LEU 1 3H LEU 1 -7.273 18.776 -6.672 4 HA LEU 1 HA LEU 1 -7.235 18.664 -3.748 5 1HB LEU 1 2HB LEU 1 -7.864 20.643 -5.420 6 2HB LEU 1 1HB LEU 1 -9.398 19.794 -5.453 7 HG LEU 1 HG LEU 1 -8.495 20.142 -2.729 8 1HD1 LEU 1 1HD1 LEU 1 -8.106 22.352 -2.526 9 2HD1 LEU 1 2HD1 LEU 1 -9.187 22.775 -3.854 10 3HD1 LEU 1 3HD1 LEU 1 -7.558 22.192 -4.194 11 1HD2 LEU 1 1HD2 LEU 1 -10.902 20.626 -4.384 12 2HD2 LEU 1 2HD2 LEU 1 -10.759 21.538 -2.881 13 3HD2 LEU 1 3HD2 LEU 1 -10.731 19.775 -2.849 14 H PHE 2 H PHE 2 -9.522 18.137 -2.918 15 HA PHE 2 HA PHE 2 -11.135 16.578 -2.552 16 1HB PHE 2 2HB PHE 2 -12.283 17.264 -4.474 17 2HB PHE 2 1HB PHE 2 -11.035 16.658 -5.554 18 HD1 PHE 2 HD1 PHE 2 -12.845 14.952 -2.783 19 HD2 PHE 2 HD2 PHE 2 -12.088 15.167 -6.965 20 HE1 PHE 2 HE1 PHE 2 -14.140 12.886 -3.120 21 HE2 PHE 2 HE2 PHE 2 -13.381 13.104 -7.311 22 HZ PHE 2 HZ PHE 2 -14.409 11.960 -5.388 23 H ILE 3 H ILE 3 -10.300 14.938 -1.428 24 HA ILE 3 HA ILE 3 -9.207 13.016 -0.890 25 HB ILE 3 HB ILE 3 -11.234 12.410 -2.574 26 1HG1 ILE 3 2HG1 ILE 3 -10.324 9.917 -2.017 27 2HG1 ILE 3 1HG1 ILE 3 -9.361 10.868 -0.890 28 1HG2 ILE 3 1HG2 ILE 3 -9.428 12.337 -4.438 29 2HG2 ILE 3 2HG2 ILE 3 -10.651 11.070 -4.363 30 3HG2 ILE 3 3HG2 ILE 3 -9.028 10.767 -3.742 31 1HD1 ILE 3 1HD1 ILE 3 -11.247 11.642 0.242 32 2HD1 ILE 3 2HD1 ILE 3 -11.581 9.939 -0.068 33 3HD1 ILE 3 3HD1 ILE 3 -12.334 11.181 -1.068 34 H ALA 4 H ALA 4 -7.800 11.106 -2.067 35 HA ALA 4 HA ALA 4 -5.891 12.273 -3.927 36 1HB ALA 4 1HB ALA 4 -4.101 12.412 -2.557 37 2HB ALA 4 2HB ALA 4 -4.605 11.033 -1.579 38 3HB ALA 4 3HB ALA 4 -5.341 12.616 -1.319 39 H THR 5 H THR 5 -6.800 10.610 -5.273 40 HA THR 5 HA THR 5 -6.072 7.865 -4.532 41 HB THR 5 HB THR 5 -7.568 7.154 -6.324 42 HG1 THR 5 HG1 THR 5 -8.078 9.906 -6.759 43 1HG2 THR 5 1HG2 THR 5 -9.579 8.855 -5.445 44 2HG2 THR 5 2HG2 THR 5 -8.466 8.717 -4.084 45 3HG2 THR 5 3HG2 THR 5 -9.166 7.266 -4.801 46 H LEU 6 H LEU 6 -3.815 8.209 -4.929 47 HA LEU 6 HA LEU 6 -3.051 8.662 -7.717 48 1HB LEU 6 2HB LEU 6 -0.738 8.752 -6.814 49 2HB LEU 6 1HB LEU 6 -1.810 9.966 -6.145 50 HG LEU 6 HG LEU 6 -1.792 7.579 -4.502 51 1HD1 LEU 6 1HD1 LEU 6 0.587 8.164 -3.647 52 2HD1 LEU 6 2HD1 LEU 6 0.828 8.784 -5.280 53 3HD1 LEU 6 3HD1 LEU 6 0.399 7.091 -5.035 54 1HD2 LEU 6 1HD2 LEU 6 -0.668 10.110 -3.508 55 2HD2 LEU 6 2HD2 LEU 6 -1.946 9.093 -2.843 56 3HD2 LEU 6 3HD2 LEU 6 -2.304 10.208 -4.161 57 H LYS 7 H LYS 7 -2.466 7.059 -9.027 58 HA LYS 7 HA LYS 7 -2.069 4.391 -7.857 59 1HB LYS 7 2HB LYS 7 -3.957 4.473 -9.360 60 2HB LYS 7 1HB LYS 7 -2.983 5.230 -10.612 61 1HG LYS 7 2HG LYS 7 -3.429 2.834 -11.014 62 2HG LYS 7 1HG LYS 7 -1.710 3.224 -10.922 63 1HD LYS 7 2HD LYS 7 -1.840 2.535 -8.478 64 2HD LYS 7 1HD LYS 7 -3.426 1.863 -8.861 65 1HE LYS 7 2HE LYS 7 -2.032 0.745 -10.832 66 2HE LYS 7 1HE LYS 7 -0.722 0.952 -9.671 67 1HZ LYS 7 1HZ LYS 7 -2.048 -0.264 -8.040 68 2HZ LYS 7 2HZ LYS 7 -1.755 -1.202 -9.416 69 3HZ LYS 7 3HZ LYS 7 -3.273 -0.491 -9.186 70 H GLY 8 H GLY 8 0.015 3.890 -7.658 71 1HA GLY 8 2HA GLY 8 1.884 4.817 -9.744 72 2HA GLY 8 1HA GLY 8 2.338 4.437 -8.089 73 H ILE 9 H ILE 9 3.787 3.347 -10.105 74 HA ILE 9 HA ILE 9 3.306 0.526 -9.679 75 HB ILE 9 HB ILE 9 1.967 0.969 -11.690 76 1HG1 ILE 9 2HG1 ILE 9 4.496 -0.599 -12.246 77 2HG1 ILE 9 1HG1 ILE 9 3.069 -1.212 -11.416 78 1HG2 ILE 9 1HG2 ILE 9 4.570 1.862 -12.919 79 2HG2 ILE 9 2HG2 ILE 9 3.189 2.892 -12.542 80 3HG2 ILE 9 3HG2 ILE 9 3.046 1.642 -13.779 81 1HD1 ILE 9 1HD1 ILE 9 2.281 -1.873 -13.370 82 2HD1 ILE 9 2HD1 ILE 9 3.633 -1.114 -14.211 83 3HD1 ILE 9 3HD1 ILE 9 2.173 -0.185 -13.868 84 H PHE 10 H PHE 10 5.175 -0.543 -9.475 85 HA PHE 10 HA PHE 10 7.646 0.861 -10.222 86 1HB PHE 10 2HB PHE 10 6.883 -0.946 -8.003 87 2HB PHE 10 1HB PHE 10 8.505 -1.169 -8.650 88 HD1 PHE 10 HD1 PHE 10 10.110 -0.145 -7.385 89 HD2 PHE 10 HD2 PHE 10 6.347 1.782 -7.878 90 HE1 PHE 10 HE1 PHE 10 10.908 1.752 -6.034 91 HE2 PHE 10 HE2 PHE 10 7.139 3.682 -6.530 92 HZ PHE 10 HZ PHE 10 9.421 3.666 -5.605 93 H THR 11 H THR 11 9.145 -0.066 -11.550 94 HA THR 11 HA THR 11 8.358 -2.605 -12.812 95 HB THR 11 HB THR 11 10.179 -1.597 -14.534 96 HG1 THR 11 HG1 THR 11 8.842 0.679 -13.506 97 1HG2 THR 11 1HG2 THR 11 7.564 -0.320 -14.883 98 2HG2 THR 11 2HG2 THR 11 7.527 -2.071 -14.672 99 3HG2 THR 11 3HG2 THR 11 8.483 -1.359 -15.972 100 H LEU 12 H LEU 12 9.396 -4.212 -11.865 101 HA LEU 12 HA LEU 12 11.014 -5.480 -10.917 102 1HB LEU 12 2HB LEU 12 13.018 -5.747 -12.197 103 2HB LEU 12 1HB LEU 12 11.672 -5.512 -13.292 104 HG LEU 12 HG LEU 12 13.262 -3.107 -12.571 105 1HD1 LEU 12 1HD1 LEU 12 14.249 -5.132 -14.570 106 2HD1 LEU 12 2HD1 LEU 12 14.936 -4.907 -12.961 107 3HD1 LEU 12 3HD1 LEU 12 15.002 -3.597 -14.139 108 1HD2 LEU 12 1HD2 LEU 12 12.313 -2.266 -14.417 109 2HD2 LEU 12 2HD2 LEU 12 11.223 -3.649 -14.320 110 3HD2 LEU 12 3HD2 LEU 12 12.643 -3.719 -15.360 111 H LYS 13 H LYS 13 12.251 -5.460 -9.166 112 HA LYS 13 HA LYS 13 12.655 -3.355 -7.546 113 1HB LYS 13 2HB LYS 13 14.579 -4.598 -6.538 114 2HB LYS 13 1HB LYS 13 13.125 -5.563 -6.760 115 1HG LYS 13 2HG LYS 13 14.951 -5.679 -9.031 116 2HG LYS 13 1HG LYS 13 15.652 -6.275 -7.526 117 1HD LYS 13 2HD LYS 13 14.086 -7.972 -7.316 118 2HD LYS 13 1HD LYS 13 12.917 -7.157 -8.360 119 1HE LYS 13 2HE LYS 13 15.453 -8.564 -9.169 120 2HE LYS 13 1HE LYS 13 13.796 -9.004 -9.580 121 1HZ LYS 13 1HZ LYS 13 13.871 -6.567 -10.586 122 2HZ LYS 13 2HZ LYS 13 14.344 -7.927 -11.471 123 3HZ LYS 13 3HZ LYS 13 15.512 -6.953 -10.734 124 H ASP 14 H ASP 14 14.653 -4.172 -10.299 125 HA ASP 14 HA ASP 14 16.911 -2.647 -9.778 126 1HB ASP 14 2HB ASP 14 16.320 -4.249 -11.764 127 2HB ASP 14 1HB ASP 14 15.784 -2.767 -12.548 128 H LEU 15 H LEU 15 13.797 -1.660 -11.158 129 HA LEU 15 HA LEU 15 14.743 1.115 -11.265 130 1HB LEU 15 2HB LEU 15 13.216 -0.373 -13.015 131 2HB LEU 15 1HB LEU 15 12.019 0.602 -12.185 132 HG LEU 15 HG LEU 15 14.429 1.660 -13.664 133 1HD1 LEU 15 1HD1 LEU 15 13.130 2.007 -15.469 134 2HD1 LEU 15 2HD1 LEU 15 11.690 2.334 -14.506 135 3HD1 LEU 15 3HD1 LEU 15 12.198 0.670 -14.795 136 1HD2 LEU 15 1HD2 LEU 15 13.264 2.863 -11.562 137 2HD2 LEU 15 2HD2 LEU 15 12.215 3.434 -12.860 138 3HD2 LEU 15 3HD2 LEU 15 13.951 3.740 -12.930 139 HA PRO 16 HA PRO 16 12.233 1.381 -7.465 140 1HB PRO 16 2HB PRO 16 13.808 3.011 -6.089 141 2HB PRO 16 1HB PRO 16 14.261 1.318 -6.331 142 1HG PRO 16 2HG PRO 16 15.247 3.764 -7.745 143 2HG PRO 16 1HG PRO 16 16.160 2.353 -7.182 144 1HD PRO 16 2HD PRO 16 15.276 2.747 -9.786 145 2HD PRO 16 1HD PRO 16 15.720 1.181 -9.082 146 H GLU 17 H GLU 17 10.939 2.567 -9.270 147 HA GLU 17 HA GLU 17 9.614 4.331 -9.810 148 1HB GLU 17 2HB GLU 17 8.967 4.779 -7.648 149 2HB GLU 17 1HB GLU 17 10.603 5.103 -7.103 150 1HG GLU 17 2HG GLU 17 9.234 7.110 -7.068 151 2HG GLU 17 1HG GLU 17 10.560 7.263 -8.218 152 H GLU 18 H GLU 18 12.488 5.891 -8.376 153 HA GLU 18 HA GLU 18 13.455 6.757 -10.907 154 1HB GLU 18 2HB GLU 18 11.531 8.279 -10.616 155 2HB GLU 18 1HB GLU 18 12.253 8.869 -9.126 156 1HG GLU 18 2HG GLU 18 14.170 9.708 -10.376 157 2HG GLU 18 1HG GLU 18 13.465 9.101 -11.873 158 H PHE 19 H PHE 19 13.636 6.814 -7.447 159 HA PHE 19 HA PHE 19 16.516 7.100 -7.639 160 1HB PHE 19 2HB PHE 19 14.733 9.136 -6.383 161 2HB PHE 19 1HB PHE 19 16.286 8.803 -5.625 162 HD1 PHE 19 HD1 PHE 19 18.373 9.282 -6.811 163 HD2 PHE 19 HD2 PHE 19 14.585 10.286 -8.469 164 HE1 PHE 19 HE1 PHE 19 19.478 10.789 -8.411 165 HE2 PHE 19 HE2 PHE 19 15.683 11.793 -10.075 166 HZ PHE 19 HZ PHE 19 18.132 12.046 -10.047 167 H ARG 20 H ARG 20 14.529 7.625 -4.763 168 HA ARG 20 HA ARG 20 15.961 5.644 -3.310 169 1HB ARG 20 2HB ARG 20 13.426 7.118 -2.580 170 2HB ARG 20 1HB ARG 20 14.418 6.180 -1.470 171 1HG ARG 20 2HG ARG 20 15.796 8.314 -2.973 172 2HG ARG 20 1HG ARG 20 14.628 8.830 -1.754 173 1HD ARG 20 2HD ARG 20 16.327 8.607 -0.311 174 2HD ARG 20 1HD ARG 20 16.001 6.879 -0.429 175 HE ARG 20 HE ARG 20 17.970 6.623 -1.562 176 1HH1 ARG 20 2HH1 ARG 20 17.106 10.005 -1.569 177 2HH1 ARG 20 1HH1 ARG 20 18.609 10.516 -2.257 178 1HH2 ARG 20 1HH2 ARG 20 19.949 7.295 -2.467 179 2HH2 ARG 20 2HH2 ARG 20 20.224 8.978 -2.767 180 HA PRO 21 HA PRO 21 13.240 2.253 -4.348 181 1HB PRO 21 2HB PRO 21 14.671 0.293 -3.258 182 2HB PRO 21 1HB PRO 21 15.283 1.177 -4.662 183 1HG PRO 21 2HG PRO 21 16.032 1.440 -1.784 184 2HG PRO 21 1HG PRO 21 17.061 1.524 -3.224 185 1HD PRO 21 2HD PRO 21 16.041 3.712 -1.815 186 2HD PRO 21 1HD PRO 21 16.706 3.757 -3.458 187 H PHE 22 H PHE 22 11.345 2.084 -3.277 188 HA PHE 22 HA PHE 22 11.382 1.833 -0.358 189 1HB PHE 22 2HB PHE 22 9.841 3.419 -1.947 190 2HB PHE 22 1HB PHE 22 8.776 2.036 -1.721 191 HD1 PHE 22 HD1 PHE 22 11.122 3.986 0.434 192 HD2 PHE 22 HD2 PHE 22 7.234 2.330 -0.063 193 HE1 PHE 22 HE1 PHE 22 10.479 4.845 2.647 194 HE2 PHE 22 HE2 PHE 22 6.582 3.189 2.150 195 HZ PHE 22 HZ PHE 22 8.206 4.449 3.508 196 H VAL 23 H VAL 23 9.255 0.508 -2.899 197 HA VAL 23 HA VAL 23 8.401 -1.719 -1.504 198 HB VAL 23 HB VAL 23 7.383 -0.965 -3.606 199 1HG1 VAL 23 1HG1 VAL 23 9.871 -0.853 -4.625 200 2HG1 VAL 23 2HG1 VAL 23 8.412 -0.929 -5.613 201 3HG1 VAL 23 3HG1 VAL 23 9.334 -2.397 -5.288 202 1HG2 VAL 23 1HG2 VAL 23 8.293 -3.816 -3.915 203 2HG2 VAL 23 2HG2 VAL 23 6.764 -3.100 -4.424 204 3HG2 VAL 23 3HG2 VAL 23 7.112 -3.311 -2.707 205 H ASP 24 H ASP 24 11.490 -1.155 -2.899 206 HA ASP 24 HA ASP 24 12.461 -3.567 -3.662 207 1HB ASP 24 2HB ASP 24 13.626 -1.171 -2.420 208 2HB ASP 24 1HB ASP 24 14.583 -2.634 -2.214 209 H TYR 25 H TYR 25 11.877 -2.548 -0.325 210 HA TYR 25 HA TYR 25 13.207 -4.719 0.899 211 1HB TYR 25 2HB TYR 25 12.072 -4.090 2.933 212 2HB TYR 25 1HB TYR 25 12.555 -2.627 2.085 213 HD1 TYR 25 HD1 TYR 25 9.614 -4.899 2.482 214 HD2 TYR 25 HD2 TYR 25 11.002 -0.937 1.790 215 HE1 TYR 25 HE1 TYR 25 7.300 -4.070 2.604 216 HE2 TYR 25 HE2 TYR 25 8.694 -0.101 1.910 217 HH TYR 25 HH TYR 25 6.550 -0.725 2.789 218 H LYS 26 H LYS 26 9.974 -4.338 -0.392 219 HA LYS 26 HA LYS 26 8.933 -6.740 0.744 220 1HB LYS 26 2HB LYS 26 7.922 -4.572 -0.763 221 2HB LYS 26 1HB LYS 26 7.598 -6.022 -1.704 222 1HG LYS 26 2HG LYS 26 6.886 -6.696 0.901 223 2HG LYS 26 1HG LYS 26 6.305 -5.044 0.680 224 1HD LYS 26 2HD LYS 26 4.518 -6.034 -0.261 225 2HD LYS 26 1HD LYS 26 5.564 -6.191 -1.673 226 1HE LYS 26 2HE LYS 26 4.562 -8.321 -1.240 227 2HE LYS 26 1HE LYS 26 6.271 -8.421 -0.821 228 1HZ LYS 26 1HZ LYS 26 3.927 -8.573 0.893 229 2HZ LYS 26 2HZ LYS 26 5.248 -7.724 1.522 230 3HZ LYS 26 3HZ LYS 26 5.431 -9.336 1.042 231 H ALA 27 H ALA 27 10.716 -5.925 -2.133 232 HA ALA 27 HA ALA 27 10.226 -8.376 -3.517 233 1HB ALA 27 1HB ALA 27 11.451 -7.486 -5.196 234 2HB ALA 27 2HB ALA 27 12.700 -6.880 -4.108 235 3HB ALA 27 3HB ALA 27 11.188 -5.991 -4.296 236 H GLY 28 H GLY 28 12.464 -7.313 -1.074 237 1HA GLY 28 2HA GLY 28 13.761 -9.966 -1.200 238 2HA GLY 28 1HA GLY 28 14.662 -8.500 -0.846 239 H LEU 29 H LEU 29 11.455 -8.904 0.441 240 HA LEU 29 HA LEU 29 12.297 -8.507 3.085 241 1HB LEU 29 2HB LEU 29 10.057 -8.771 3.722 242 2HB LEU 29 1HB LEU 29 9.993 -8.098 2.105 243 HG LEU 29 HG LEU 29 9.821 -10.683 1.456 244 1HD1 LEU 29 1HD1 LEU 29 8.206 -11.681 3.169 245 2HD1 LEU 29 2HD1 LEU 29 8.861 -10.489 4.292 246 3HD1 LEU 29 3HD1 LEU 29 9.925 -11.691 3.562 247 1HD2 LEU 29 1HD2 LEU 29 8.234 -8.966 0.810 248 2HD2 LEU 29 2HD2 LEU 29 7.543 -8.964 2.433 249 3HD2 LEU 29 3HD2 LEU 29 7.380 -10.390 1.408 250 H GLU 30 H GLU 30 12.305 -11.316 1.175 251 HA GLU 30 HA GLU 30 13.130 -12.887 3.489 252 1HB GLU 30 2HB GLU 30 10.592 -13.183 2.471 253 2HB GLU 30 1HB GLU 30 11.484 -14.438 1.623 254 1HG GLU 30 2HG GLU 30 12.362 -14.857 4.127 255 2HG GLU 30 1HG GLU 30 10.754 -14.219 4.465 256 H LYS 31 H LYS 31 14.708 -11.737 1.512 257 HA LYS 31 HA LYS 31 16.369 -12.186 0.023 258 1HB LYS 31 2HB LYS 31 16.567 -14.017 2.025 259 2HB LYS 31 1HB LYS 31 16.440 -15.074 0.626 260 1HG LYS 31 2HG LYS 31 18.286 -13.444 -0.329 261 2HG LYS 31 1HG LYS 31 18.593 -13.182 1.389 262 1HD LYS 31 2HD LYS 31 19.935 -14.982 1.145 263 2HD LYS 31 1HD LYS 31 18.424 -15.870 1.342 264 1HE LYS 31 2HE LYS 31 19.156 -16.853 -0.571 265 2HE LYS 31 1HE LYS 31 18.304 -15.481 -1.281 266 1HZ LYS 31 1HZ LYS 31 21.174 -15.987 -1.082 267 2HZ LYS 31 2HZ LYS 31 20.661 -14.379 -0.968 268 3HZ LYS 31 3HZ LYS 31 20.284 -15.292 -2.341 269 H LYS 32 H LYS 32 13.850 -12.211 -1.069 270 HA LYS 32 HA LYS 32 13.497 -14.540 -2.725 271 1HB LYS 32 2HB LYS 32 11.934 -12.282 -1.974 272 2HB LYS 32 1HB LYS 32 12.020 -12.312 -3.730 273 1HG LYS 32 2HG LYS 32 11.435 -14.852 -3.389 274 2HG LYS 32 1HG LYS 32 10.792 -14.262 -1.855 275 1HD LYS 32 2HD LYS 32 9.073 -13.183 -2.844 276 2HD LYS 32 1HD LYS 32 10.050 -12.684 -4.227 277 1HE LYS 32 2HE LYS 32 9.956 -15.248 -4.800 278 2HE LYS 32 1HE LYS 32 8.512 -15.199 -3.790 279 1HZ LYS 32 1HZ LYS 32 8.991 -14.009 -6.409 280 2HZ LYS 32 2HZ LYS 32 8.030 -13.123 -5.336 281 3HZ LYS 32 3HZ LYS 32 7.581 -14.694 -5.774 282 H LYS 33 H LYS 33 13.917 -14.763 -4.892 283 HA LYS 33 HA LYS 33 15.607 -12.669 -6.095 284 1HB LYS 33 2HB LYS 33 15.999 -15.526 -5.786 285 2HB LYS 33 1HB LYS 33 16.091 -15.052 -7.477 286 1HG LYS 33 2HG LYS 33 17.672 -13.755 -5.270 287 2HG LYS 33 1HG LYS 33 18.272 -15.056 -6.299 288 1HD LYS 33 2HD LYS 33 17.352 -13.292 -8.152 289 2HD LYS 33 1HD LYS 33 17.904 -12.200 -6.880 290 1HE LYS 33 2HE LYS 33 20.029 -12.545 -7.433 291 2HE LYS 33 1HE LYS 33 19.830 -14.291 -7.289 292 1HZ LYS 33 1HZ LYS 33 20.542 -13.480 -9.524 293 2HZ LYS 33 2HZ LYS 33 19.022 -12.759 -9.695 294 3HZ LYS 33 3HZ LYS 33 19.147 -14.438 -9.535 295 H LEU 34 H LEU 34 14.475 -11.574 -7.557 296 HA LEU 34 HA LEU 34 12.694 -13.084 -9.357 297 1HB LEU 34 2HB LEU 34 12.266 -10.172 -8.980 298 2HB LEU 34 1HB LEU 34 11.103 -11.445 -9.293 299 HG LEU 34 HG LEU 34 10.615 -10.673 -7.126 300 1HD1 LEU 34 1HD1 LEU 34 12.215 -12.824 -6.032 301 2HD1 LEU 34 2HD1 LEU 34 11.429 -13.285 -7.541 302 3HD1 LEU 34 3HD1 LEU 34 10.464 -12.683 -6.193 303 1HD2 LEU 34 1HD2 LEU 34 13.267 -11.109 -5.930 304 2HD2 LEU 34 2HD2 LEU 34 12.083 -9.833 -5.643 305 3HD2 LEU 34 3HD2 LEU 34 13.153 -9.745 -7.043 306 H SER 35 H SER 35 12.599 -12.419 -11.543 307 HA SER 35 HA SER 35 15.060 -11.109 -12.448 308 1HB SER 35 2HB SER 35 13.854 -13.452 -13.268 309 2HB SER 35 1HB SER 35 13.356 -12.305 -14.511 310 HG SER 35 HG SER 35 15.669 -11.729 -14.593 311 H ASP 36 H ASP 36 14.353 -10.298 -14.962 312 HA ASP 36 HA ASP 36 13.113 -7.808 -14.454 313 1HB ASP 36 2HB ASP 36 14.683 -8.881 -16.481 314 2HB ASP 36 1HB ASP 36 13.141 -8.565 -17.269 315 H ASP 37 H ASP 37 11.098 -8.502 -13.511 316 HA ASP 37 HA ASP 37 8.950 -8.437 -15.358 317 1HB ASP 37 2HB ASP 37 9.921 -11.057 -14.555 318 2HB ASP 37 1HB ASP 37 8.236 -10.822 -14.098 319 H ASP 38 H ASP 38 10.041 -9.175 -12.090 320 HA ASP 38 HA ASP 38 7.720 -9.000 -10.645 321 1HB ASP 38 2HB ASP 38 10.101 -9.427 -9.817 322 2HB ASP 38 1HB ASP 38 10.267 -7.676 -9.727 323 H GLU 39 H GLU 39 6.209 -7.543 -11.336 324 HA GLU 39 HA GLU 39 6.939 -4.694 -11.216 325 1HB GLU 39 2HB GLU 39 4.950 -4.284 -12.599 326 2HB GLU 39 1HB GLU 39 6.068 -5.393 -13.385 327 1HG GLU 39 2HG GLU 39 4.368 -7.057 -11.982 328 2HG GLU 39 1HG GLU 39 3.311 -5.782 -12.588 329 H ILE 40 H ILE 40 6.173 -3.512 -9.588 330 HA ILE 40 HA ILE 40 4.001 -4.646 -7.957 331 HB ILE 40 HB ILE 40 5.742 -2.428 -6.964 332 1HG1 ILE 40 2HG1 ILE 40 7.354 -4.044 -7.803 333 2HG1 ILE 40 1HG1 ILE 40 7.319 -4.112 -6.044 334 1HG2 ILE 40 1HG2 ILE 40 4.414 -2.781 -5.213 335 2HG2 ILE 40 2HG2 ILE 40 5.282 -4.297 -4.969 336 3HG2 ILE 40 3HG2 ILE 40 3.786 -4.278 -5.901 337 1HD1 ILE 40 1HD1 ILE 40 6.364 -6.103 -8.036 338 2HD1 ILE 40 2HD1 ILE 40 5.613 -6.043 -6.442 339 3HD1 ILE 40 3HD1 ILE 40 7.346 -6.333 -6.591 340 H ALA 41 H ALA 41 2.571 -3.045 -6.881 341 HA ALA 41 HA ALA 41 2.199 -0.587 -8.441 342 1HB ALA 41 1HB ALA 41 0.338 -1.334 -9.393 343 2HB ALA 41 2HB ALA 41 -0.378 -1.576 -7.800 344 3HB ALA 41 3HB ALA 41 0.520 -2.882 -8.572 345 H ILE 42 H ILE 42 2.168 1.089 -7.104 346 HA ILE 42 HA ILE 42 1.379 0.664 -4.308 347 HB ILE 42 HB ILE 42 2.801 3.063 -5.460 348 1HG1 ILE 42 2HG1 ILE 42 3.961 0.620 -4.099 349 2HG1 ILE 42 1HG1 ILE 42 4.160 1.049 -5.795 350 1HG2 ILE 42 1HG2 ILE 42 2.850 2.160 -2.609 351 2HG2 ILE 42 2HG2 ILE 42 1.515 3.134 -3.222 352 3HG2 ILE 42 3HG2 ILE 42 3.162 3.761 -3.278 353 1HD1 ILE 42 1HD1 ILE 42 5.976 1.603 -3.936 354 2HD1 ILE 42 2HD1 ILE 42 4.998 3.064 -3.805 355 3HD1 ILE 42 3HD1 ILE 42 5.719 2.621 -5.352 356 H ILE 43 H ILE 43 -0.487 1.433 -3.576 357 HA ILE 43 HA ILE 43 -1.772 3.653 -5.023 358 HB ILE 43 HB ILE 43 -3.243 1.300 -3.834 359 1HG1 ILE 43 2HG1 ILE 43 -2.644 1.953 -6.729 360 2HG1 ILE 43 1HG1 ILE 43 -1.969 0.610 -5.810 361 1HG2 ILE 43 1HG2 ILE 43 -4.129 3.862 -4.382 362 2HG2 ILE 43 2HG2 ILE 43 -5.134 2.430 -4.163 363 3HG2 ILE 43 3HG2 ILE 43 -4.646 2.924 -5.783 364 1HD1 ILE 43 1HD1 ILE 43 -4.923 0.897 -6.195 365 2HD1 ILE 43 2HD1 ILE 43 -3.988 -0.543 -5.789 366 3HD1 ILE 43 3HD1 ILE 43 -3.900 0.138 -7.414 367 H SER 44 H SER 44 -2.668 5.231 -3.787 368 HA SER 44 HA SER 44 -2.886 4.793 -0.897 369 1HB SER 44 2HB SER 44 -1.809 7.430 -1.738 370 2HB SER 44 1HB SER 44 -1.461 6.477 -0.296 371 HG SER 44 HG SER 44 -0.360 5.014 -1.894 372 H ILE 45 H ILE 45 -4.716 5.554 -0.072 373 HA ILE 45 HA ILE 45 -6.075 7.810 -1.326 374 HB ILE 45 HB ILE 45 -7.498 5.188 -0.833 375 1HG1 ILE 45 2HG1 ILE 45 -7.833 5.649 -3.464 376 2HG1 ILE 45 1HG1 ILE 45 -6.248 6.382 -3.245 377 1HG2 ILE 45 1HG2 ILE 45 -9.227 6.582 -2.288 378 2HG2 ILE 45 2HG2 ILE 45 -8.398 7.930 -1.510 379 3HG2 ILE 45 3HG2 ILE 45 -9.177 6.690 -0.528 380 1HD1 ILE 45 1HD1 ILE 45 -5.236 4.393 -2.824 381 2HD1 ILE 45 2HD1 ILE 45 -6.535 3.847 -3.883 382 3HD1 ILE 45 3HD1 ILE 45 -6.689 3.671 -2.135 383 H LYS 46 H LYS 46 -5.167 8.636 0.743 384 HA LYS 46 HA LYS 46 -5.508 9.461 2.831 385 1HB LYS 46 2HB LYS 46 -8.123 8.879 1.851 386 2HB LYS 46 1HB LYS 46 -8.065 8.420 3.547 387 1HG LYS 46 2HG LYS 46 -6.811 10.896 3.454 388 2HG LYS 46 1HG LYS 46 -8.178 11.041 2.347 389 1HD LYS 46 2HD LYS 46 -8.476 9.891 5.107 390 2HD LYS 46 1HD LYS 46 -8.585 11.626 4.800 391 1HE LYS 46 2HE LYS 46 -10.803 10.733 4.790 392 2HE LYS 46 1HE LYS 46 -10.373 11.143 3.130 393 1HZ LYS 46 1HZ LYS 46 -10.034 8.405 4.194 394 2HZ LYS 46 2HZ LYS 46 -10.092 8.905 2.579 395 3HZ LYS 46 3HZ LYS 46 -11.497 8.923 3.520 396 H GLY 47 H GLY 47 -7.550 6.584 3.243 397 1HA GLY 47 2HA GLY 47 -7.439 4.944 4.869 398 2HA GLY 47 1HA GLY 47 -5.852 4.692 4.161 399 H THR 48 H THR 48 -6.917 7.510 6.004 400 HA THR 48 HA THR 48 -6.184 8.426 7.952 401 HB THR 48 HB THR 48 -5.077 5.836 8.929 402 HG1 THR 48 HG1 THR 48 -7.805 6.313 8.361 403 1HG2 THR 48 1HG2 THR 48 -6.980 7.782 10.207 404 2HG2 THR 48 2HG2 THR 48 -5.227 7.803 10.409 405 3HG2 THR 48 3HG2 THR 48 -6.166 6.423 10.982 406 H GLN 49 H GLN 49 -4.503 8.614 5.787 407 HA GLN 49 HA GLN 49 -2.395 9.293 5.272 408 1HB GLN 49 2HB GLN 49 -2.530 10.245 7.638 409 2HB GLN 49 1HB GLN 49 -1.620 8.828 8.148 410 1HG GLN 49 2HG GLN 49 0.267 9.463 6.890 411 2HG GLN 49 1HG GLN 49 -0.644 10.683 6.000 412 1HE2 GLN 49 1HE2 GLN 49 -0.550 9.995 9.465 413 2HE2 GLN 49 2HE2 GLN 49 0.032 11.551 9.939 414 H SER 50 H SER 50 -2.630 7.042 4.254 415 HA SER 50 HA SER 50 -0.164 5.643 4.699 416 1HB SER 50 2HB SER 50 -1.030 3.508 5.313 417 2HB SER 50 1HB SER 50 -1.769 4.669 6.414 418 HG SER 50 HG SER 50 -3.243 3.114 5.465 419 H ASN 51 H ASN 51 -0.443 3.406 3.297 420 HA ASN 51 HA ASN 51 -1.969 3.858 0.883 421 1HB ASN 51 2HB ASN 51 0.118 3.618 -0.549 422 2HB ASN 51 1HB ASN 51 -0.089 5.168 0.260 423 1HD2 ASN 51 1HD2 ASN 51 1.434 5.860 1.638 424 2HD2 ASN 51 2HD2 ASN 51 2.848 4.967 2.067 425 H HIS 52 H HIS 52 -2.281 2.004 -0.322 426 HA HIS 52 HA HIS 52 -1.577 -0.470 1.043 427 1HB HIS 52 2HB HIS 52 -3.361 -0.054 -1.365 428 2HB HIS 52 1HB HIS 52 -3.224 -1.523 -0.404 429 HD1 HIS 52 HD1 HIS 52 -4.443 -1.575 1.864 430 HD2 HIS 52 HD2 HIS 52 -4.895 1.996 -0.211 431 HE1 HIS 52 HE1 HIS 52 -6.288 -0.342 3.044 432 HE2 HIS 52 HE2 HIS 52 -6.603 1.777 1.718 433 H VAL 53 H VAL 53 -0.826 -2.336 -0.195 434 HA VAL 53 HA VAL 53 0.688 -1.655 -2.614 435 HB VAL 53 HB VAL 53 1.892 -3.261 -0.359 436 1HG1 VAL 53 1HG1 VAL 53 3.358 -1.991 -2.641 437 2HG1 VAL 53 2HG1 VAL 53 2.590 -3.567 -2.826 438 3HG1 VAL 53 3HG1 VAL 53 3.848 -3.336 -1.612 439 1HG2 VAL 53 1HG2 VAL 53 1.909 -1.171 0.596 440 2HG2 VAL 53 2HG2 VAL 53 1.987 -0.341 -0.957 441 3HG2 VAL 53 3HG2 VAL 53 3.423 -1.131 -0.307 442 H LEU 54 H LEU 54 0.865 -3.282 -4.100 443 HA LEU 54 HA LEU 54 -0.164 -5.931 -3.382 444 1HB LEU 54 2HB LEU 54 -1.819 -4.222 -4.582 445 2HB LEU 54 1HB LEU 54 -0.980 -4.800 -6.009 446 HG LEU 54 HG LEU 54 -3.087 -6.017 -5.548 447 1HD1 LEU 54 1HD1 LEU 54 -0.966 -6.996 -6.653 448 2HD1 LEU 54 2HD1 LEU 54 -2.260 -8.091 -6.164 449 3HD1 LEU 54 3HD1 LEU 54 -0.817 -7.927 -5.163 450 1HD2 LEU 54 1HD2 LEU 54 -2.478 -5.878 -2.960 451 2HD2 LEU 54 2HD2 LEU 54 -1.817 -7.476 -3.304 452 3HD2 LEU 54 3HD2 LEU 54 -3.519 -7.138 -3.621 453 H PHE 55 H PHE 55 1.013 -7.549 -4.196 454 HA PHE 55 HA PHE 55 3.220 -6.876 -5.980 455 1HB PHE 55 2HB PHE 55 2.962 -8.583 -3.776 456 2HB PHE 55 1HB PHE 55 3.116 -9.656 -5.163 457 HD1 PHE 55 HD1 PHE 55 4.681 -6.506 -3.899 458 HD2 PHE 55 HD2 PHE 55 5.236 -10.329 -5.686 459 HE1 PHE 55 HE1 PHE 55 7.116 -6.152 -3.893 460 HE2 PHE 55 HE2 PHE 55 7.672 -9.981 -5.682 461 HZ PHE 55 HZ PHE 55 8.615 -7.890 -4.784 462 H LEU 56 H LEU 56 2.861 -7.024 -8.092 463 HA LEU 56 HA LEU 56 0.858 -8.875 -9.114 464 1HB LEU 56 2HB LEU 56 2.534 -7.001 -10.761 465 2HB LEU 56 1HB LEU 56 0.963 -7.680 -11.147 466 HG LEU 56 HG LEU 56 1.071 -5.948 -8.750 467 1HD1 LEU 56 1HD1 LEU 56 0.729 -3.994 -10.477 468 2HD1 LEU 56 2HD1 LEU 56 1.761 -5.008 -11.485 469 3HD1 LEU 56 3HD1 LEU 56 2.338 -4.447 -9.916 470 1HD2 LEU 56 1HD2 LEU 56 -0.868 -5.558 -10.939 471 2HD2 LEU 56 2HD2 LEU 56 -1.121 -5.642 -9.195 472 3HD2 LEU 56 3HD2 LEU 56 -0.913 -7.124 -10.128 473 H SER 57 H SER 57 1.936 -10.852 -8.754 474 HA SER 57 HA SER 57 4.534 -11.361 -9.844 475 1HB SER 57 2HB SER 57 3.075 -12.570 -7.915 476 2HB SER 57 1HB SER 57 2.752 -13.655 -9.267 477 HG SER 57 HG SER 57 4.867 -14.145 -9.400 478 H SER 58 H SER 58 1.246 -11.711 -10.957 479 HA SER 58 HA SER 58 2.239 -12.364 -13.614 480 1HB SER 58 2HB SER 58 -0.058 -14.011 -12.638 481 2HB SER 58 1HB SER 58 1.134 -14.376 -13.886 482 HG SER 58 HG SER 58 1.927 -15.565 -12.320 483 H TYR 59 H TYR 59 1.524 -10.390 -14.345 484 HA TYR 59 HA TYR 59 -1.348 -9.822 -14.091 485 1HB TYR 59 2HB TYR 59 0.552 -8.131 -13.460 486 2HB TYR 59 1HB TYR 59 0.630 -7.861 -15.198 487 HD1 TYR 59 HD1 TYR 59 -2.054 -8.191 -12.608 488 HD2 TYR 59 HD2 TYR 59 -0.538 -6.025 -15.941 489 HE1 TYR 59 HE1 TYR 59 -3.944 -6.625 -12.442 490 HE2 TYR 59 HE2 TYR 59 -2.423 -4.454 -15.785 491 HH TYR 59 HH TYR 59 -4.027 -3.665 -14.095 492 H ASN 60 H ASN 60 -2.154 -11.141 -15.710 493 HA ASN 60 HA ASN 60 -1.387 -10.369 -18.449 494 1HB ASN 60 2HB ASN 60 -2.125 -12.721 -19.088 495 2HB ASN 60 1HB ASN 60 -0.612 -12.596 -18.196 496 1HD2 ASN 60 1HD2 ASN 60 -4.082 -13.096 -17.721 497 2HD2 ASN 60 2HD2 ASN 60 -3.919 -14.194 -16.398 498 H SER 61 H SER 61 -3.271 -11.346 -19.975 499 HA SER 61 HA SER 61 -5.388 -11.033 -20.742 500 1HB SER 61 2HB SER 61 -7.152 -11.751 -19.393 501 2HB SER 61 1HB SER 61 -5.765 -12.552 -18.655 502 HG SER 61 HG SER 61 -5.795 -11.104 -17.009 503 H VAL 62 H VAL 62 -7.511 -9.638 -20.183 504 HA VAL 62 HA VAL 62 -6.775 -7.054 -19.053 505 HB VAL 62 HB VAL 62 -7.748 -5.902 -21.097 506 1HG1 VAL 62 1HG1 VAL 62 -5.447 -5.646 -20.746 507 2HG1 VAL 62 2HG1 VAL 62 -5.578 -6.216 -22.410 508 3HG1 VAL 62 3HG1 VAL 62 -5.110 -7.334 -21.128 509 1HG2 VAL 62 1HG2 VAL 62 -8.634 -8.165 -21.966 510 2HG2 VAL 62 2HG2 VAL 62 -6.997 -8.395 -22.579 511 3HG2 VAL 62 3HG2 VAL 62 -7.958 -7.020 -23.125 512 H ASP 63 H ASP 63 -8.796 -5.508 -19.423 513 HA ASP 63 HA ASP 63 -11.004 -5.059 -19.074 514 1HB ASP 63 2HB ASP 63 -11.312 -7.004 -20.741 515 2HB ASP 63 1HB ASP 63 -11.668 -7.983 -19.321 516 H GLU 64 H GLU 64 -10.266 -8.234 -17.600 517 HA GLU 64 HA GLU 64 -11.737 -7.551 -15.220 518 1HB GLU 64 2HB GLU 64 -11.133 -9.913 -16.426 519 2HB GLU 64 1HB GLU 64 -9.928 -9.880 -15.146 520 1HG GLU 64 2HG GLU 64 -11.433 -10.468 -13.639 521 2HG GLU 64 1HG GLU 64 -12.481 -9.126 -14.093 522 H ILE 65 H ILE 65 -8.349 -7.885 -16.153 523 HA ILE 65 HA ILE 65 -7.208 -7.592 -13.609 524 HB ILE 65 HB ILE 65 -5.167 -6.841 -14.812 525 1HG1 ILE 65 2HG1 ILE 65 -5.618 -7.284 -17.453 526 2HG1 ILE 65 1HG1 ILE 65 -7.143 -6.539 -16.988 527 1HG2 ILE 65 1HG2 ILE 65 -6.080 -9.134 -16.421 528 2HG2 ILE 65 2HG2 ILE 65 -6.233 -9.305 -14.673 529 3HG2 ILE 65 3HG2 ILE 65 -4.660 -8.962 -15.392 530 1HD1 ILE 65 1HD1 ILE 65 -6.131 -4.538 -16.414 531 2HD1 ILE 65 2HD1 ILE 65 -5.239 -5.049 -17.847 532 3HD1 ILE 65 3HD1 ILE 65 -4.540 -5.278 -16.246 533 H ARG 66 H ARG 66 -8.431 -5.246 -15.898 534 HA ARG 66 HA ARG 66 -7.291 -2.968 -14.586 535 1HB ARG 66 2HB ARG 66 -8.248 -3.325 -17.057 536 2HB ARG 66 1HB ARG 66 -9.698 -2.674 -16.306 537 1HG ARG 66 2HG ARG 66 -8.460 -0.691 -15.611 538 2HG ARG 66 1HG ARG 66 -6.995 -1.346 -16.346 539 1HD ARG 66 2HD ARG 66 -7.783 0.082 -17.988 540 2HD ARG 66 1HD ARG 66 -8.428 -1.477 -18.499 541 HE ARG 66 HE ARG 66 -10.284 -0.131 -16.841 542 1HH1 ARG 66 2HH1 ARG 66 -8.957 -0.084 -20.068 543 2HH1 ARG 66 1HH1 ARG 66 -10.371 0.623 -20.774 544 1HH2 ARG 66 1HH2 ARG 66 -12.145 0.799 -17.767 545 2HH2 ARG 66 2HH2 ARG 66 -12.181 1.126 -19.468 546 H LYS 67 H LYS 67 -10.486 -4.503 -14.639 547 HA LYS 67 HA LYS 67 -11.664 -2.590 -12.869 548 1HB LYS 67 2HB LYS 67 -12.502 -5.103 -14.189 549 2HB LYS 67 1HB LYS 67 -13.332 -4.707 -12.691 550 1HG LYS 67 2HG LYS 67 -13.477 -2.331 -13.933 551 2HG LYS 67 1HG LYS 67 -13.458 -3.408 -15.330 552 1HD LYS 67 2HD LYS 67 -15.277 -3.988 -13.030 553 2HD LYS 67 1HD LYS 67 -15.724 -2.756 -14.214 554 1HE LYS 67 2HE LYS 67 -15.632 -4.350 -16.000 555 2HE LYS 67 1HE LYS 67 -14.956 -5.580 -14.932 556 1HZ LYS 67 1HZ LYS 67 -17.613 -4.380 -14.438 557 2HZ LYS 67 2HZ LYS 67 -16.980 -5.819 -13.817 558 3HZ LYS 67 3HZ LYS 67 -17.417 -5.724 -15.448 559 H GLU 68 H GLU 68 -10.175 -5.758 -12.504 560 HA GLU 68 HA GLU 68 -10.913 -6.263 -9.848 561 1HB GLU 68 2HB GLU 68 -9.880 -7.920 -11.400 562 2HB GLU 68 1HB GLU 68 -8.344 -7.085 -11.212 563 1HG GLU 68 2HG GLU 68 -8.020 -7.859 -9.094 564 2HG GLU 68 1HG GLU 68 -9.745 -8.002 -8.762 565 H LEU 69 H LEU 69 -8.181 -4.486 -11.210 566 HA LEU 69 HA LEU 69 -6.911 -4.006 -8.704 567 1HB LEU 69 2HB LEU 69 -6.202 -3.716 -11.347 568 2HB LEU 69 1HB LEU 69 -6.389 -2.053 -10.825 569 HG LEU 69 HG LEU 69 -4.739 -2.360 -9.082 570 1HD1 LEU 69 1HD1 LEU 69 -5.097 -5.212 -9.776 571 2HD1 LEU 69 2HD1 LEU 69 -4.799 -4.450 -8.213 572 3HD1 LEU 69 3HD1 LEU 69 -3.468 -4.689 -9.347 573 1HD2 LEU 69 1HD2 LEU 69 -2.796 -2.583 -10.426 574 2HD2 LEU 69 2HD2 LEU 69 -4.041 -1.864 -11.447 575 3HD2 LEU 69 3HD2 LEU 69 -3.647 -3.576 -11.608 576 H GLU 70 H GLU 70 -9.051 -2.104 -10.789 577 HA GLU 70 HA GLU 70 -9.033 0.286 -9.376 578 1HB GLU 70 2HB GLU 70 -10.952 -1.055 -11.211 579 2HB GLU 70 1HB GLU 70 -11.550 0.305 -10.272 580 1HG GLU 70 2HG GLU 70 -9.098 1.142 -11.314 581 2HG GLU 70 1HG GLU 70 -9.906 0.286 -12.627 582 H GLU 71 H GLU 71 -10.892 -2.655 -8.831 583 HA GLU 71 HA GLU 71 -12.574 -1.598 -6.807 584 1HB GLU 71 2HB GLU 71 -12.560 -3.902 -8.228 585 2HB GLU 71 1HB GLU 71 -11.906 -4.477 -6.700 586 1HG GLU 71 2HG GLU 71 -13.841 -3.761 -5.513 587 2HG GLU 71 1HG GLU 71 -14.462 -2.912 -6.927 588 H ALA 72 H ALA 72 -9.497 -3.354 -6.736 589 HA ALA 72 HA ALA 72 -9.380 -3.231 -3.843 590 1HB ALA 72 1HB ALA 72 -8.372 -5.170 -4.449 591 2HB ALA 72 2HB ALA 72 -6.951 -4.126 -4.484 592 3HB ALA 72 3HB ALA 72 -7.792 -4.520 -5.983 593 H GLY 73 H GLY 73 -9.102 -0.859 -5.943 594 1HA GLY 73 2HA GLY 73 -6.581 0.246 -4.946 595 2HA GLY 73 1HA GLY 73 -7.522 0.873 -6.290 596 H ALA 74 H ALA 74 -9.914 1.455 -5.439 597 HA ALA 74 HA ALA 74 -9.554 3.053 -2.989 598 1HB ALA 74 1HB ALA 74 -10.215 4.966 -3.974 599 2HB ALA 74 2HB ALA 74 -11.357 4.149 -5.042 600 3HB ALA 74 3HB ALA 74 -9.637 4.162 -5.434 601 H LYS 75 H LYS 75 -11.307 0.589 -4.348 602 HA LYS 75 HA LYS 75 -13.913 1.310 -3.370 603 1HB LYS 75 2HB LYS 75 -13.003 -0.510 -5.202 604 2HB LYS 75 1HB LYS 75 -13.381 -1.545 -3.833 605 1HG LYS 75 2HG LYS 75 -15.310 -1.468 -5.193 606 2HG LYS 75 1HG LYS 75 -15.648 -0.474 -3.775 607 1HD LYS 75 2HD LYS 75 -15.873 1.388 -5.001 608 2HD LYS 75 1HD LYS 75 -14.447 1.023 -5.975 609 1HE LYS 75 2HE LYS 75 -16.274 1.014 -7.470 610 2HE LYS 75 1HE LYS 75 -15.871 -0.679 -7.186 611 1HZ LYS 75 1HZ LYS 75 -17.666 -0.615 -5.427 612 2HZ LYS 75 2HZ LYS 75 -18.191 -0.544 -7.034 613 3HZ LYS 75 3HZ LYS 75 -18.150 0.863 -6.097 614 H ILE 76 H ILE 76 -14.609 -1.253 -2.212 615 HA ILE 76 HA ILE 76 -14.388 -0.794 0.461 616 HB ILE 76 HB ILE 76 -14.348 -3.556 -0.759 617 1HG1 ILE 76 2HG1 ILE 76 -16.952 -2.593 0.061 618 2HG1 ILE 76 1HG1 ILE 76 -16.245 -1.519 -1.141 619 1HG2 ILE 76 1HG2 ILE 76 -15.717 -4.051 1.329 620 2HG2 ILE 76 2HG2 ILE 76 -15.150 -2.494 1.934 621 3HG2 ILE 76 3HG2 ILE 76 -13.990 -3.767 1.553 622 1HD1 ILE 76 1HD1 ILE 76 -15.773 -3.701 -2.446 623 2HD1 ILE 76 2HD1 ILE 76 -17.405 -3.033 -2.428 624 3HD1 ILE 76 3HD1 ILE 76 -16.997 -4.395 -1.384 625 H ASN 77 H ASN 77 -13.142 -1.852 2.164 626 HA ASN 77 HA ASN 77 -10.327 -1.738 1.595 627 1HB ASN 77 2HB ASN 77 -11.646 -2.532 4.196 628 2HB ASN 77 1HB ASN 77 -10.009 -1.924 3.968 629 1HD2 ASN 77 1HD2 ASN 77 -13.042 -1.114 4.918 630 2HD2 ASN 77 2HD2 ASN 77 -12.967 0.598 4.700 631 H HIS 78 H HIS 78 -10.995 -3.704 0.039 632 HA HIS 78 HA HIS 78 -10.846 -5.928 -0.467 633 1HB HIS 78 2HB HIS 78 -8.650 -5.833 1.607 634 2HB HIS 78 1HB HIS 78 -8.784 -6.961 0.262 635 HD1 HIS 78 HD1 HIS 78 -6.723 -4.373 1.095 636 HD2 HIS 78 HD2 HIS 78 -9.109 -5.017 -2.245 637 HE1 HIS 78 HE1 HIS 78 -5.738 -2.940 -0.723 638 HE2 HIS 78 HE2 HIS 78 -7.255 -3.276 -2.706 639 H THR 79 H THR 79 -12.699 -5.291 1.717 640 HA THR 79 HA THR 79 -13.865 -6.261 3.422 641 HB THR 79 HB THR 79 -14.070 -7.744 1.205 642 HG1 THR 79 HG1 THR 79 -15.194 -8.878 3.497 643 1HG2 THR 79 1HG2 THR 79 -13.540 -9.952 3.113 644 2HG2 THR 79 2HG2 THR 79 -12.183 -9.262 2.224 645 3HG2 THR 79 3HG2 THR 79 -13.550 -9.950 1.350 646 H THR 80 H THR 80 -13.722 -8.750 4.667 647 HA THR 80 HA THR 80 -11.621 -8.296 6.519 648 HB THR 80 HB THR 80 -13.778 -9.273 7.173 649 HG1 THR 80 HG1 THR 80 -12.899 -10.958 8.459 650 1HG2 THR 80 1HG2 THR 80 -14.689 -10.868 5.940 651 2HG2 THR 80 2HG2 THR 80 -13.510 -11.976 6.645 652 3HG2 THR 80 3HG2 THR 80 -13.169 -11.188 5.104 653 H LEU 81 H LEU 81 -10.034 -8.382 4.559 654 HA LEU 81 HA LEU 81 -8.366 -9.429 3.395 655 1HB LEU 81 2HB LEU 81 -8.337 -10.595 6.141 656 2HB LEU 81 1HB LEU 81 -7.230 -11.231 4.938 657 HG LEU 81 HG LEU 81 -7.304 -8.282 5.301 658 1HD1 LEU 81 1HD1 LEU 81 -6.530 -10.215 7.396 659 2HD1 LEU 81 2HD1 LEU 81 -7.094 -8.550 7.536 660 3HD1 LEU 81 3HD1 LEU 81 -5.417 -8.879 7.097 661 1HD2 LEU 81 1HD2 LEU 81 -5.729 -8.764 3.745 662 2HD2 LEU 81 2HD2 LEU 81 -5.432 -10.381 4.384 663 3HD2 LEU 81 3HD2 LEU 81 -4.728 -8.975 5.182 664 H LYS 82 H LYS 82 -11.054 -10.625 3.043 665 HA LYS 82 HA LYS 82 -10.635 -13.463 2.830 666 1HB LYS 82 2HB LYS 82 -12.862 -11.799 2.929 667 2HB LYS 82 1HB LYS 82 -12.870 -12.418 1.284 668 1HG LYS 82 2HG LYS 82 -12.865 -14.036 3.822 669 2HG LYS 82 1HG LYS 82 -14.202 -13.840 2.687 670 1HD LYS 82 2HD LYS 82 -12.266 -14.744 1.028 671 2HD LYS 82 1HD LYS 82 -11.815 -15.557 2.527 672 1HE LYS 82 2HE LYS 82 -14.500 -15.664 1.158 673 2HE LYS 82 1HE LYS 82 -13.309 -16.961 1.235 674 1HZ LYS 82 1HZ LYS 82 -13.987 -15.993 3.832 675 2HZ LYS 82 2HZ LYS 82 -14.046 -17.570 3.225 676 3HZ LYS 82 3HZ LYS 82 -15.358 -16.527 2.996 677 H ILE 83 H ILE 83 -10.763 -10.717 0.601 678 HA ILE 83 HA ILE 83 -10.590 -12.130 -1.801 679 HB ILE 83 HB ILE 83 -11.063 -9.717 -1.693 680 1HG1 ILE 83 2HG1 ILE 83 -8.612 -10.401 -3.332 681 2HG1 ILE 83 1HG1 ILE 83 -10.283 -10.703 -3.802 682 1HG2 ILE 83 1HG2 ILE 83 -8.127 -9.357 -1.123 683 2HG2 ILE 83 2HG2 ILE 83 -9.405 -9.204 0.082 684 3HG2 ILE 83 3HG2 ILE 83 -9.346 -8.092 -1.286 685 1HD1 ILE 83 1HD1 ILE 83 -9.121 -7.976 -3.297 686 2HD1 ILE 83 2HD1 ILE 83 -10.725 -8.349 -3.930 687 3HD1 ILE 83 3HD1 ILE 83 -9.289 -8.724 -4.886 688 H LEU 84 H LEU 84 -8.062 -11.012 0.400 689 HA LEU 84 HA LEU 84 -5.867 -11.737 -1.210 690 1HB LEU 84 2HB LEU 84 -6.178 -11.406 1.768 691 2HB LEU 84 1HB LEU 84 -4.643 -11.820 1.028 692 HG LEU 84 HG LEU 84 -5.262 -9.632 -0.420 693 1HD1 LEU 84 1HD1 LEU 84 -6.868 -9.507 2.051 694 2HD1 LEU 84 2HD1 LEU 84 -7.121 -8.730 0.488 695 3HD1 LEU 84 3HD1 LEU 84 -5.962 -8.053 1.632 696 1HD2 LEU 84 1HD2 LEU 84 -3.317 -10.336 1.293 697 2HD2 LEU 84 2HD2 LEU 84 -4.074 -9.036 2.216 698 3HD2 LEU 84 3HD2 LEU 84 -3.459 -8.724 0.592 699 H GLU 85 H GLU 85 -7.684 -13.477 1.280 700 HA GLU 85 HA GLU 85 -6.082 -15.816 1.226 701 1HB GLU 85 2HB GLU 85 -8.813 -15.137 2.242 702 2HB GLU 85 1HB GLU 85 -8.344 -16.828 2.129 703 1HG GLU 85 2HG GLU 85 -6.207 -15.943 3.407 704 2HG GLU 85 1HG GLU 85 -7.338 -14.691 3.919 705 H GLY 86 H GLY 86 -8.454 -14.553 -0.914 706 1HA GLY 86 2HA GLY 86 -9.161 -17.113 -2.064 707 2HA GLY 86 1HA GLY 86 -9.680 -15.532 -2.629 708 H HIS 87 H HIS 87 -6.953 -14.468 -2.803 709 HA HIS 87 HA HIS 87 -5.391 -16.105 -4.508 710 1HB HIS 87 2HB HIS 87 -5.773 -14.720 -6.604 711 2HB HIS 87 1HB HIS 87 -7.062 -15.839 -6.170 712 HD1 HIS 87 HD1 HIS 87 -6.266 -12.186 -6.366 713 HD2 HIS 87 HD2 HIS 87 -9.486 -14.650 -5.457 714 HE1 HIS 87 HE1 HIS 87 -8.271 -10.671 -6.287 715 HE2 HIS 87 HE2 HIS 87 -10.193 -12.170 -5.651 716 H LEU 88 HN LEU 88 -4.176 -15.046 -2.650 717 HA LEU 88 HA LEU 88 -2.466 -13.058 -3.720 718 1HB LEU 88 2HB LEU 88 -4.698 -11.913 -2.761 719 2HB LEU 88 1HB LEU 88 -3.762 -11.988 -1.281 720 HG LEU 88 HG LEU 88 -3.414 -9.839 -2.268 721 1HD1 LEU 88 1HD1 LEU 88 -0.973 -9.887 -2.701 722 2HD1 LEU 88 2HD1 LEU 88 -1.048 -11.648 -2.720 723 3HD1 LEU 88 3HD1 LEU 88 -1.449 -10.765 -1.248 724 1HD2 LEU 88 1HD2 LEU 88 -2.575 -11.283 -4.779 725 2HD2 LEU 88 2HD2 LEU 88 -2.569 -9.538 -4.525 726 3HD2 LEU 88 3HD2 LEU 88 -4.095 -10.419 -4.552 Start of MODEL 18 1 1H LEU 1 1H LEU 1 -11.801 17.985 -7.566 2 2H LEU 1 2H LEU 1 -12.136 19.492 -8.316 3 3H LEU 1 3H LEU 1 -12.913 19.072 -6.844 4 HA LEU 1 HA LEU 1 -10.009 19.410 -7.163 5 1HB LEU 1 2HB LEU 1 -11.888 21.377 -7.374 6 2HB LEU 1 1HB LEU 1 -11.595 21.377 -5.645 7 HG LEU 1 HG LEU 1 -10.205 23.022 -6.834 8 1HD1 LEU 1 1HD1 LEU 1 -9.115 22.527 -4.913 9 2HD1 LEU 1 2HD1 LEU 1 -7.930 21.874 -6.045 10 3HD1 LEU 1 3HD1 LEU 1 -9.076 20.796 -5.248 11 1HD2 LEU 1 1HD2 LEU 1 -8.758 20.695 -8.071 12 2HD2 LEU 1 2HD2 LEU 1 -8.553 22.416 -8.402 13 3HD2 LEU 1 3HD2 LEU 1 -10.023 21.588 -8.917 14 H PHE 2 H PHE 2 -10.826 17.181 -5.950 15 HA PHE 2 HA PHE 2 -9.931 17.523 -3.276 16 1HB PHE 2 2HB PHE 2 -12.601 18.035 -3.507 17 2HB PHE 2 1HB PHE 2 -12.617 16.309 -3.164 18 HD1 PHE 2 HD1 PHE 2 -10.314 18.950 -1.919 19 HD2 PHE 2 HD2 PHE 2 -13.364 16.136 -0.981 20 HE1 PHE 2 HE1 PHE 2 -10.015 19.430 0.475 21 HE2 PHE 2 HE2 PHE 2 -13.071 16.611 1.415 22 HZ PHE 2 HZ PHE 2 -11.395 18.260 2.146 23 H ILE 3 H ILE 3 -9.455 15.546 -2.248 24 HA ILE 3 HA ILE 3 -8.810 13.367 -2.153 25 HB ILE 3 HB ILE 3 -11.204 13.044 -3.964 26 1HG1 ILE 3 2HG1 ILE 3 -12.186 12.021 -1.915 27 2HG1 ILE 3 1HG1 ILE 3 -10.714 12.437 -1.041 28 1HG2 ILE 3 1HG2 ILE 3 -9.295 10.983 -2.921 29 2HG2 ILE 3 2HG2 ILE 3 -9.951 11.170 -4.546 30 3HG2 ILE 3 3HG2 ILE 3 -10.982 10.580 -3.242 31 1HD1 ILE 3 1HD1 ILE 3 -12.686 13.985 -0.758 32 2HD1 ILE 3 2HD1 ILE 3 -12.403 14.494 -2.422 33 3HD1 ILE 3 3HD1 ILE 3 -11.154 14.738 -1.201 34 H ALA 4 H ALA 4 -6.890 12.942 -3.004 35 HA ALA 4 HA ALA 4 -6.674 12.697 -5.932 36 1HB ALA 4 1HB ALA 4 -4.806 13.972 -6.036 37 2HB ALA 4 2HB ALA 4 -4.250 13.483 -4.435 38 3HB ALA 4 3HB ALA 4 -5.511 14.705 -4.595 39 H THR 5 H THR 5 -6.768 10.498 -6.063 40 HA THR 5 HA THR 5 -5.432 8.747 -4.268 41 HB THR 5 HB THR 5 -5.845 7.143 -6.361 42 HG1 THR 5 HG1 THR 5 -7.648 7.918 -7.531 43 1HG2 THR 5 1HG2 THR 5 -8.426 7.934 -5.245 44 2HG2 THR 5 2HG2 THR 5 -7.185 7.581 -4.041 45 3HG2 THR 5 3HG2 THR 5 -7.615 6.369 -5.247 46 H LEU 6 H LEU 6 -3.539 7.590 -4.511 47 HA LEU 6 HA LEU 6 -1.679 8.674 -6.513 48 1HB LEU 6 2HB LEU 6 -1.393 7.731 -3.723 49 2HB LEU 6 1HB LEU 6 -0.075 7.330 -4.807 50 HG LEU 6 HG LEU 6 0.286 9.426 -3.526 51 1HD1 LEU 6 1HD1 LEU 6 0.958 10.795 -5.482 52 2HD1 LEU 6 2HD1 LEU 6 0.095 9.663 -6.523 53 3HD1 LEU 6 3HD1 LEU 6 1.482 9.114 -5.583 54 1HD2 LEU 6 1HD2 LEU 6 -1.584 10.913 -5.256 55 2HD2 LEU 6 2HD2 LEU 6 -1.110 11.200 -3.582 56 3HD2 LEU 6 3HD2 LEU 6 -2.309 9.963 -3.959 57 H LYS 7 H LYS 7 -0.568 7.358 -7.893 58 HA LYS 7 HA LYS 7 -0.778 4.469 -7.626 59 1HB LYS 7 2HB LYS 7 -1.637 5.765 -10.206 60 2HB LYS 7 1HB LYS 7 -1.796 4.079 -9.734 61 1HG LYS 7 2HG LYS 7 -3.340 4.938 -7.882 62 2HG LYS 7 1HG LYS 7 -3.382 6.443 -8.803 63 1HD LYS 7 2HD LYS 7 -5.230 5.284 -9.606 64 2HD LYS 7 1HD LYS 7 -3.988 4.931 -10.808 65 1HE LYS 7 2HE LYS 7 -3.990 2.745 -10.327 66 2HE LYS 7 1HE LYS 7 -4.021 3.037 -8.589 67 1HZ LYS 7 1HZ LYS 7 -6.382 3.183 -10.385 68 2HZ LYS 7 2HZ LYS 7 -6.393 3.392 -8.707 69 3HZ LYS 7 3HZ LYS 7 -6.010 1.883 -9.368 70 H GLY 8 H GLY 8 0.954 3.410 -8.451 71 1HA GLY 8 2HA GLY 8 2.665 4.692 -10.416 72 2HA GLY 8 1HA GLY 8 3.378 4.484 -8.824 73 H ILE 9 H ILE 9 3.756 3.266 -11.637 74 HA ILE 9 HA ILE 9 3.338 0.442 -11.096 75 HB ILE 9 HB ILE 9 4.751 1.654 -13.469 76 1HG1 ILE 9 2HG1 ILE 9 2.279 0.980 -14.392 77 2HG1 ILE 9 1HG1 ILE 9 1.884 1.548 -12.773 78 1HG2 ILE 9 1HG2 ILE 9 5.009 -0.797 -12.973 79 2HG2 ILE 9 2HG2 ILE 9 4.334 -0.414 -14.556 80 3HG2 ILE 9 3HG2 ILE 9 3.275 -0.960 -13.256 81 1HD1 ILE 9 1HD1 ILE 9 1.945 3.618 -13.533 82 2HD1 ILE 9 2HD1 ILE 9 2.479 3.054 -15.117 83 3HD1 ILE 9 3HD1 ILE 9 3.666 3.423 -13.866 84 H PHE 10 H PHE 10 4.728 -0.401 -9.667 85 HA PHE 10 HA PHE 10 7.562 0.333 -9.812 86 1HB PHE 10 2HB PHE 10 5.924 -1.057 -7.689 87 2HB PHE 10 1HB PHE 10 7.677 -0.939 -7.618 88 HD1 PHE 10 HD1 PHE 10 8.362 0.598 -6.074 89 HD2 PHE 10 HD2 PHE 10 4.928 1.467 -8.430 90 HE1 PHE 10 HE1 PHE 10 8.177 2.790 -4.982 91 HE2 PHE 10 HE2 PHE 10 4.740 3.667 -7.345 92 HZ PHE 10 HZ PHE 10 6.364 4.330 -5.618 93 H THR 11 H THR 11 9.139 -1.110 -10.335 94 HA THR 11 HA THR 11 8.241 -3.746 -11.273 95 HB THR 11 HB THR 11 10.602 -3.677 -12.380 96 HG1 THR 11 HG1 THR 11 10.155 -0.902 -12.041 97 1HG2 THR 11 1HG2 THR 11 8.073 -2.733 -13.249 98 2HG2 THR 11 2HG2 THR 11 9.399 -3.398 -14.205 99 3HG2 THR 11 3HG2 THR 11 9.322 -1.664 -13.886 100 H LEU 12 H LEU 12 8.577 -5.367 -9.943 101 HA LEU 12 HA LEU 12 9.395 -5.998 -7.704 102 1HB LEU 12 2HB LEU 12 9.345 -7.719 -9.405 103 2HB LEU 12 1HB LEU 12 10.918 -7.223 -9.995 104 HG LEU 12 HG LEU 12 11.660 -7.758 -7.518 105 1HD1 LEU 12 1HD1 LEU 12 9.018 -8.411 -7.296 106 2HD1 LEU 12 2HD1 LEU 12 10.307 -9.004 -6.250 107 3HD1 LEU 12 3HD1 LEU 12 9.762 -9.976 -7.615 108 1HD2 LEU 12 1HD2 LEU 12 12.573 -9.711 -8.313 109 2HD2 LEU 12 2HD2 LEU 12 12.185 -8.881 -9.820 110 3HD2 LEU 12 3HD2 LEU 12 11.123 -10.151 -9.214 111 H LYS 13 H LYS 13 12.348 -5.977 -9.668 112 HA LYS 13 HA LYS 13 13.954 -5.342 -7.406 113 1HB LYS 13 2HB LYS 13 14.766 -5.257 -10.311 114 2HB LYS 13 1HB LYS 13 15.820 -5.449 -8.916 115 1HG LYS 13 2HG LYS 13 13.801 -7.493 -8.922 116 2HG LYS 13 1HG LYS 13 14.650 -7.463 -10.467 117 1HD LYS 13 2HD LYS 13 15.854 -8.946 -9.056 118 2HD LYS 13 1HD LYS 13 16.803 -7.461 -9.152 119 1HE LYS 13 2HE LYS 13 16.551 -8.496 -6.853 120 2HE LYS 13 1HE LYS 13 16.150 -6.785 -6.992 121 1HZ LYS 13 1HZ LYS 13 13.986 -8.717 -7.350 122 2HZ LYS 13 2HZ LYS 13 13.954 -7.176 -6.655 123 3HZ LYS 13 3HZ LYS 13 14.570 -8.484 -5.779 124 H ASP 14 H ASP 14 12.922 -3.516 -10.264 125 HA ASP 14 HA ASP 14 14.214 -1.113 -9.242 126 1HB ASP 14 2HB ASP 14 12.958 -1.906 -11.836 127 2HB ASP 14 1HB ASP 14 13.066 -0.193 -11.438 128 H LEU 15 H LEU 15 12.097 -2.112 -7.642 129 HA LEU 15 HA LEU 15 9.575 -1.121 -8.008 130 1HB LEU 15 2HB LEU 15 11.240 -1.789 -5.688 131 2HB LEU 15 1HB LEU 15 10.003 -0.603 -5.331 132 HG LEU 15 HG LEU 15 9.597 -3.216 -5.059 133 1HD1 LEU 15 1HD1 LEU 15 7.177 -2.093 -6.153 134 2HD1 LEU 15 2HD1 LEU 15 8.011 -0.941 -5.112 135 3HD1 LEU 15 3HD1 LEU 15 7.572 -2.530 -4.492 136 1HD2 LEU 15 1HD2 LEU 15 8.332 -2.859 -7.730 137 2HD2 LEU 15 2HD2 LEU 15 8.771 -4.338 -6.873 138 3HD2 LEU 15 3HD2 LEU 15 10.019 -3.352 -7.630 139 HA PRO 16 HA PRO 16 10.683 3.186 -6.253 140 1HB PRO 16 2HB PRO 16 13.144 3.728 -5.370 141 2HB PRO 16 1HB PRO 16 11.979 2.845 -4.375 142 1HG PRO 16 2HG PRO 16 14.235 1.778 -6.038 143 2HG PRO 16 1HG PRO 16 13.772 1.343 -4.384 144 1HD PRO 16 2HD PRO 16 13.069 -0.130 -6.564 145 2HD PRO 16 1HD PRO 16 12.092 -0.052 -5.085 146 H GLU 17 H GLU 17 10.928 2.469 -8.881 147 HA GLU 17 HA GLU 17 13.059 3.093 -10.417 148 1HB GLU 17 2HB GLU 17 10.862 2.441 -11.315 149 2HB GLU 17 1HB GLU 17 10.232 4.036 -10.927 150 1HG GLU 17 2HG GLU 17 10.877 4.762 -12.908 151 2HG GLU 17 1HG GLU 17 12.553 4.420 -12.482 152 H GLU 18 H GLU 18 11.126 5.343 -8.578 153 HA GLU 18 HA GLU 18 12.063 7.721 -9.759 154 1HB GLU 18 2HB GLU 18 11.204 7.463 -6.892 155 2HB GLU 18 1HB GLU 18 11.063 8.864 -7.944 156 1HG GLU 18 2HG GLU 18 9.469 7.494 -9.342 157 2HG GLU 18 1HG GLU 18 9.475 6.319 -8.028 158 H PHE 19 H PHE 19 12.849 6.512 -6.543 159 HA PHE 19 HA PHE 19 15.644 6.644 -6.890 160 1HB PHE 19 2HB PHE 19 15.446 8.653 -4.923 161 2HB PHE 19 1HB PHE 19 16.108 8.797 -6.544 162 HD1 PHE 19 HD1 PHE 19 12.662 8.602 -5.094 163 HD2 PHE 19 HD2 PHE 19 15.383 10.661 -7.637 164 HE1 PHE 19 HE1 PHE 19 10.897 10.214 -5.671 165 HE2 PHE 19 HE2 PHE 19 13.622 12.277 -8.219 166 HZ PHE 19 HZ PHE 19 11.375 12.055 -7.236 167 H ARG 20 H ARG 20 13.976 7.790 -3.992 168 HA ARG 20 HA ARG 20 15.269 6.121 -2.223 169 1HB ARG 20 2HB ARG 20 13.917 8.147 -1.653 170 2HB ARG 20 1HB ARG 20 12.466 7.178 -1.869 171 1HG ARG 20 2HG ARG 20 12.910 7.258 0.452 172 2HG ARG 20 1HG ARG 20 13.346 5.638 -0.096 173 1HD ARG 20 2HD ARG 20 15.600 6.011 0.161 174 2HD ARG 20 1HD ARG 20 15.442 7.755 -0.043 175 HE ARG 20 HE ARG 20 15.222 7.934 2.215 176 1HH1 ARG 20 2HH1 ARG 20 14.389 4.671 1.301 177 2HH1 ARG 20 1HH1 ARG 20 14.192 4.130 2.932 178 1HH2 ARG 20 1HH2 ARG 20 14.965 7.224 4.364 179 2HH2 ARG 20 2HH2 ARG 20 14.518 5.579 4.673 180 HA PRO 21 HA PRO 21 13.082 2.278 -2.904 181 1HB PRO 21 2HB PRO 21 14.803 0.770 -1.403 182 2HB PRO 21 1HB PRO 21 15.140 1.290 -3.052 183 1HG PRO 21 2HG PRO 21 16.415 2.119 -0.595 184 2HG PRO 21 1HG PRO 21 16.860 2.516 -2.260 185 1HD PRO 21 2HD PRO 21 15.364 4.106 -0.302 186 2HD PRO 21 1HD PRO 21 16.155 4.619 -1.805 187 H PHE 22 H PHE 22 11.164 2.189 -1.837 188 HA PHE 22 HA PHE 22 11.184 2.038 1.090 189 1HB PHE 22 2HB PHE 22 9.699 3.721 0.211 190 2HB PHE 22 1HB PHE 22 8.944 2.559 -0.874 191 HD1 PHE 22 HD1 PHE 22 6.902 1.729 -0.259 192 HD2 PHE 22 HD2 PHE 22 9.612 2.974 2.775 193 HE1 PHE 22 HE1 PHE 22 5.207 1.230 1.454 194 HE2 PHE 22 HE2 PHE 22 7.924 2.476 4.494 195 HZ PHE 22 HZ PHE 22 5.717 1.602 3.834 196 H VAL 23 H VAL 23 8.837 0.632 -1.158 197 HA VAL 23 HA VAL 23 8.652 -1.769 0.371 198 HB VAL 23 HB VAL 23 6.686 -1.000 -0.745 199 1HG1 VAL 23 1HG1 VAL 23 6.694 -1.163 -3.340 200 2HG1 VAL 23 2HG1 VAL 23 8.437 -0.966 -3.158 201 3HG1 VAL 23 3HG1 VAL 23 7.342 0.272 -2.546 202 1HG2 VAL 23 1HG2 VAL 23 7.560 -3.413 -2.315 203 2HG2 VAL 23 2HG2 VAL 23 5.931 -2.977 -1.801 204 3HG2 VAL 23 3HG2 VAL 23 7.126 -3.486 -0.607 205 H ASP 24 H ASP 24 10.930 -0.783 -1.885 206 HA ASP 24 HA ASP 24 11.406 -3.002 -3.461 207 1HB ASP 24 2HB ASP 24 13.526 -2.130 -3.868 208 2HB ASP 24 1HB ASP 24 12.643 -0.703 -3.338 209 H TYR 25 H TYR 25 11.912 -2.548 -0.061 210 HA TYR 25 HA TYR 25 13.743 -4.548 0.517 211 1HB TYR 25 2HB TYR 25 13.028 -4.395 2.748 212 2HB TYR 25 1HB TYR 25 12.643 -2.813 2.084 213 HD1 TYR 25 HD1 TYR 25 10.194 -2.606 1.105 214 HD2 TYR 25 HD2 TYR 25 11.409 -5.489 3.985 215 HE1 TYR 25 HE1 TYR 25 7.854 -2.866 1.822 216 HE2 TYR 25 HE2 TYR 25 9.075 -5.758 4.710 217 HH TYR 25 HH TYR 25 6.585 -3.620 3.727 218 H LYS 26 H LYS 26 10.277 -4.735 -0.112 219 HA LYS 26 HA LYS 26 9.777 -7.359 0.656 220 1HB LYS 26 2HB LYS 26 8.280 -5.434 -0.493 221 2HB LYS 26 1HB LYS 26 8.545 -6.465 -1.893 222 1HG LYS 26 2HG LYS 26 7.840 -8.259 0.064 223 2HG LYS 26 1HG LYS 26 6.829 -6.858 0.421 224 1HD LYS 26 2HD LYS 26 5.625 -7.073 -1.488 225 2HD LYS 26 1HD LYS 26 7.008 -7.652 -2.419 226 1HE LYS 26 2HE LYS 26 5.335 -9.402 -2.185 227 2HE LYS 26 1HE LYS 26 6.817 -9.838 -1.334 228 1HZ LYS 26 1HZ LYS 26 5.802 -9.754 0.658 229 2HZ LYS 26 2HZ LYS 26 4.400 -10.017 -0.251 230 3HZ LYS 26 3HZ LYS 26 4.807 -8.450 0.240 231 H ALA 27 H ALA 27 11.086 -6.139 -2.409 232 HA ALA 27 HA ALA 27 11.247 -8.609 -3.741 233 1HB ALA 27 1HB ALA 27 13.365 -6.578 -4.216 234 2HB ALA 27 2HB ALA 27 11.693 -6.117 -4.536 235 3HB ALA 27 3HB ALA 27 12.401 -7.500 -5.371 236 H GLY 28 H GLY 28 13.182 -7.146 -1.264 237 1HA GLY 28 2HA GLY 28 15.025 -9.452 -1.369 238 2HA GLY 28 1HA GLY 28 15.534 -7.840 -0.886 239 H LEU 29 H LEU 29 12.489 -9.281 0.067 240 HA LEU 29 HA LEU 29 12.981 -8.803 2.824 241 1HB LEU 29 2HB LEU 29 10.740 -8.687 1.783 242 2HB LEU 29 1HB LEU 29 10.791 -10.419 1.515 243 HG LEU 29 HG LEU 29 11.265 -9.797 4.303 244 1HD1 LEU 29 1HD1 LEU 29 9.828 -7.825 3.555 245 2HD1 LEU 29 2HD1 LEU 29 9.252 -8.779 4.922 246 3HD1 LEU 29 3HD1 LEU 29 8.540 -9.009 3.324 247 1HD2 LEU 29 1HD2 LEU 29 9.677 -11.614 2.634 248 2HD2 LEU 29 2HD2 LEU 29 8.939 -11.194 4.181 249 3HD2 LEU 29 3HD2 LEU 29 10.546 -11.918 4.138 250 H GLU 30 H GLU 30 15.054 -10.275 2.189 251 HA GLU 30 HA GLU 30 16.263 -11.962 3.172 252 1HB GLU 30 2HB GLU 30 13.981 -12.131 4.654 253 2HB GLU 30 1HB GLU 30 13.999 -13.708 3.878 254 1HG GLU 30 2HG GLU 30 15.628 -14.441 5.194 255 2HG GLU 30 1HG GLU 30 16.601 -12.997 4.921 256 H LYS 31 H LYS 31 16.341 -11.994 0.665 257 HA LYS 31 HA LYS 31 16.625 -13.234 -1.214 258 1HB LYS 31 2HB LYS 31 17.608 -14.781 0.615 259 2HB LYS 31 1HB LYS 31 16.138 -15.720 0.399 260 1HG LYS 31 2HG LYS 31 18.029 -16.586 -0.911 261 2HG LYS 31 1HG LYS 31 16.666 -16.101 -1.921 262 1HD LYS 31 2HD LYS 31 17.804 -14.382 -2.867 263 2HD LYS 31 1HD LYS 31 18.718 -14.038 -1.397 264 1HE LYS 31 2HE LYS 31 20.168 -14.870 -3.183 265 2HE LYS 31 1HE LYS 31 20.136 -15.973 -1.808 266 1HZ LYS 31 1HZ LYS 31 19.801 -16.749 -4.329 267 2HZ LYS 31 2HZ LYS 31 18.186 -16.500 -3.891 268 3HZ LYS 31 3HZ LYS 31 19.145 -17.577 -3.007 269 H LYS 32 H LYS 32 14.128 -12.208 -0.919 270 HA LYS 32 HA LYS 32 12.031 -14.093 -1.138 271 1HB LYS 32 2HB LYS 32 11.554 -11.792 -0.556 272 2HB LYS 32 1HB LYS 32 12.226 -11.226 -2.078 273 1HG LYS 32 2HG LYS 32 9.758 -11.217 -2.025 274 2HG LYS 32 1HG LYS 32 10.426 -12.222 -3.313 275 1HD LYS 32 2HD LYS 32 10.158 -14.184 -1.730 276 2HD LYS 32 1HD LYS 32 9.209 -13.106 -0.705 277 1HE LYS 32 2HE LYS 32 8.611 -14.026 -3.506 278 2HE LYS 32 1HE LYS 32 7.657 -14.286 -2.045 279 1HZ LYS 32 1HZ LYS 32 7.585 -11.695 -2.044 280 2HZ LYS 32 2HZ LYS 32 6.524 -12.575 -3.023 281 3HZ LYS 32 3HZ LYS 32 7.907 -11.873 -3.696 282 H LYS 33 H LYS 33 13.343 -11.989 -3.699 283 HA LYS 33 HA LYS 33 13.823 -14.031 -5.558 284 1HB LYS 33 2HB LYS 33 11.310 -14.177 -5.437 285 2HB LYS 33 1HB LYS 33 11.246 -12.548 -6.095 286 1HG LYS 33 2HG LYS 33 11.173 -13.513 -8.094 287 2HG LYS 33 1HG LYS 33 12.887 -13.866 -7.866 288 1HD LYS 33 2HD LYS 33 12.492 -16.063 -7.284 289 2HD LYS 33 1HD LYS 33 10.846 -15.733 -6.741 290 1HE LYS 33 2HE LYS 33 10.535 -16.894 -8.734 291 2HE LYS 33 1HE LYS 33 10.362 -15.206 -9.212 292 1HZ LYS 33 1HZ LYS 33 12.985 -15.587 -9.558 293 2HZ LYS 33 2HZ LYS 33 11.835 -15.785 -10.782 294 3HZ LYS 33 3HZ LYS 33 12.401 -17.131 -9.930 295 H LEU 34 H LEU 34 15.301 -13.182 -6.864 296 HA LEU 34 HA LEU 34 15.256 -10.277 -7.315 297 1HB LEU 34 2HB LEU 34 17.650 -11.979 -7.877 298 2HB LEU 34 1HB LEU 34 17.576 -10.278 -7.467 299 HG LEU 34 HG LEU 34 18.512 -11.298 -5.580 300 1HD1 LEU 34 1HD1 LEU 34 17.163 -10.472 -3.989 301 2HD1 LEU 34 2HD1 LEU 34 15.788 -11.454 -4.497 302 3HD1 LEU 34 3HD1 LEU 34 16.169 -9.960 -5.353 303 1HD2 LEU 34 1HD2 LEU 34 16.394 -13.300 -5.127 304 2HD2 LEU 34 2HD2 LEU 34 18.133 -13.401 -4.852 305 3HD2 LEU 34 3HD2 LEU 34 17.482 -13.610 -6.479 306 H SER 35 H SER 35 13.552 -11.807 -8.834 307 HA SER 35 HA SER 35 14.870 -12.086 -11.439 308 1HB SER 35 2HB SER 35 13.490 -13.988 -10.640 309 2HB SER 35 1HB SER 35 12.082 -12.927 -10.603 310 HG SER 35 HG SER 35 13.621 -13.331 -12.942 311 H ASP 36 H ASP 36 15.040 -9.986 -12.151 312 HA ASP 36 HA ASP 36 13.190 -7.943 -11.880 313 1HB ASP 36 2HB ASP 36 14.943 -8.335 -14.308 314 2HB ASP 36 1HB ASP 36 14.343 -6.815 -13.652 315 H ASP 37 H ASP 37 11.126 -8.911 -12.140 316 HA ASP 37 HA ASP 37 10.005 -8.554 -14.718 317 1HB ASP 37 2HB ASP 37 10.746 -11.302 -13.883 318 2HB ASP 37 1HB ASP 37 9.149 -11.105 -14.595 319 H ASP 38 H ASP 38 9.681 -9.993 -11.507 320 HA ASP 38 HA ASP 38 6.986 -10.318 -11.247 321 1HB ASP 38 2HB ASP 38 9.180 -10.109 -9.496 322 2HB ASP 38 1HB ASP 38 7.971 -8.985 -8.884 323 H GLU 39 H GLU 39 5.201 -9.070 -10.898 324 HA GLU 39 HA GLU 39 5.528 -6.206 -11.417 325 1HB GLU 39 2HB GLU 39 3.917 -7.929 -12.669 326 2HB GLU 39 1HB GLU 39 2.837 -7.465 -11.362 327 1HG GLU 39 2HG GLU 39 2.243 -5.877 -12.846 328 2HG GLU 39 1HG GLU 39 3.612 -5.037 -12.120 329 H ILE 40 H ILE 40 5.000 -4.678 -9.981 330 HA ILE 40 HA ILE 40 3.338 -5.317 -7.678 331 HB ILE 40 HB ILE 40 6.079 -4.122 -7.279 332 1HG1 ILE 40 2HG1 ILE 40 5.117 -6.928 -6.681 333 2HG1 ILE 40 1HG1 ILE 40 6.263 -6.484 -7.941 334 1HG2 ILE 40 1HG2 ILE 40 5.272 -5.023 -4.864 335 2HG2 ILE 40 2HG2 ILE 40 3.725 -4.565 -5.575 336 3HG2 ILE 40 3HG2 ILE 40 5.020 -3.375 -5.440 337 1HD1 ILE 40 1HD1 ILE 40 7.767 -7.065 -6.383 338 2HD1 ILE 40 2HD1 ILE 40 6.653 -6.783 -5.046 339 3HD1 ILE 40 3HD1 ILE 40 7.488 -5.425 -5.797 340 H ALA 41 H ALA 41 1.976 -3.683 -7.314 341 HA ALA 41 HA ALA 41 2.779 -0.982 -8.176 342 1HB ALA 41 1HB ALA 41 0.528 -2.577 -9.025 343 2HB ALA 41 2HB ALA 41 1.141 -1.057 -9.675 344 3HB ALA 41 3HB ALA 41 0.003 -1.045 -8.327 345 H ILE 42 H ILE 42 2.231 0.720 -6.874 346 HA ILE 42 HA ILE 42 0.912 0.060 -4.319 347 HB ILE 42 HB ILE 42 3.113 2.097 -4.667 348 1HG1 ILE 42 2HG1 ILE 42 4.235 0.221 -3.105 349 2HG1 ILE 42 1HG1 ILE 42 3.187 -0.814 -4.068 350 1HG2 ILE 42 1HG2 ILE 42 3.011 2.460 -2.392 351 2HG2 ILE 42 2HG2 ILE 42 2.238 0.907 -2.071 352 3HG2 ILE 42 3HG2 ILE 42 1.311 2.223 -2.792 353 1HD1 ILE 42 1HD1 ILE 42 5.556 -0.485 -4.891 354 2HD1 ILE 42 2HD1 ILE 42 5.071 1.156 -5.316 355 3HD1 ILE 42 3HD1 ILE 42 4.266 -0.223 -6.065 356 H ILE 43 H ILE 43 -0.699 1.389 -3.666 357 HA ILE 43 HA ILE 43 -1.030 3.972 -5.014 358 HB ILE 43 HB ILE 43 -3.453 3.557 -5.295 359 1HG1 ILE 43 2HG1 ILE 43 -2.825 0.646 -4.802 360 2HG1 ILE 43 1HG1 ILE 43 -3.475 1.697 -3.549 361 1HG2 ILE 43 1HG2 ILE 43 -2.357 3.320 -7.298 362 2HG2 ILE 43 2HG2 ILE 43 -3.102 1.730 -7.137 363 3HG2 ILE 43 3HG2 ILE 43 -1.399 1.950 -6.738 364 1HD1 ILE 43 1HD1 ILE 43 -4.797 1.094 -6.183 365 2HD1 ILE 43 2HD1 ILE 43 -5.453 2.103 -4.895 366 3HD1 ILE 43 3HD1 ILE 43 -5.214 0.376 -4.628 367 H SER 44 H SER 44 -2.427 5.454 -3.914 368 HA SER 44 HA SER 44 -2.792 4.821 -1.057 369 1HB SER 44 2HB SER 44 -1.011 6.608 -1.857 370 2HB SER 44 1HB SER 44 -2.431 7.646 -1.973 371 HG SER 44 HG SER 44 -2.729 7.511 0.167 372 H ILE 45 H ILE 45 -4.497 6.210 0.003 373 HA ILE 45 HA ILE 45 -6.573 7.176 -1.796 374 HB ILE 45 HB ILE 45 -8.306 5.810 -0.507 375 1HG1 ILE 45 2HG1 ILE 45 -5.861 4.112 0.046 376 2HG1 ILE 45 1HG1 ILE 45 -6.768 5.014 1.255 377 1HG2 ILE 45 1HG2 ILE 45 -8.439 4.470 -2.301 378 2HG2 ILE 45 2HG2 ILE 45 -6.792 3.869 -2.103 379 3HG2 ILE 45 3HG2 ILE 45 -7.076 5.421 -2.892 380 1HD1 ILE 45 1HD1 ILE 45 -7.171 2.451 0.855 381 2HD1 ILE 45 2HD1 ILE 45 -8.231 3.051 -0.420 382 3HD1 ILE 45 3HD1 ILE 45 -8.501 3.539 1.253 383 H LYS 46 H LYS 46 -4.970 8.602 -0.010 384 HA LYS 46 HA LYS 46 -5.045 10.096 1.709 385 1HB LYS 46 2HB LYS 46 -7.378 10.349 0.213 386 2HB LYS 46 1HB LYS 46 -7.942 10.321 1.879 387 1HG LYS 46 2HG LYS 46 -5.811 12.167 0.823 388 2HG LYS 46 1HG LYS 46 -7.512 12.593 1.025 389 1HD LYS 46 2HD LYS 46 -7.388 12.477 3.353 390 2HD LYS 46 1HD LYS 46 -5.906 11.521 3.318 391 1HE LYS 46 2HE LYS 46 -4.816 13.432 3.673 392 2HE LYS 46 1HE LYS 46 -5.211 13.852 2.007 393 1HZ LYS 46 1HZ LYS 46 -6.341 14.851 4.491 394 2HZ LYS 46 2HZ LYS 46 -7.443 14.593 3.234 395 3HZ LYS 46 3HZ LYS 46 -6.129 15.632 3.005 396 H GLY 47 H GLY 47 -5.346 7.188 2.336 397 1HA GLY 47 2HA GLY 47 -7.142 6.894 4.513 398 2HA GLY 47 1HA GLY 47 -5.783 5.841 4.146 399 H THR 48 H THR 48 -6.566 8.998 5.558 400 HA THR 48 HA THR 48 -5.769 10.078 7.387 401 HB THR 48 HB THR 48 -4.958 8.878 9.202 402 HG1 THR 48 HG1 THR 48 -3.366 7.533 9.046 403 1HG2 THR 48 1HG2 THR 48 -5.844 6.336 8.173 404 2HG2 THR 48 2HG2 THR 48 -6.964 7.635 7.762 405 3HG2 THR 48 3HG2 THR 48 -6.530 7.345 9.447 406 H GLN 49 H GLN 49 -3.093 7.953 6.335 407 HA GLN 49 HA GLN 49 -1.601 9.925 5.054 408 1HB GLN 49 2HB GLN 49 -1.596 10.516 7.690 409 2HB GLN 49 1HB GLN 49 -0.210 9.437 7.624 410 1HG GLN 49 2HG GLN 49 0.362 11.007 5.536 411 2HG GLN 49 1HG GLN 49 -0.564 12.145 6.513 412 1HE2 GLN 49 1HE2 GLN 49 1.763 13.048 6.289 413 2HE2 GLN 49 2HE2 GLN 49 2.814 12.692 7.613 414 H SER 50 H SER 50 -1.955 7.556 4.137 415 HA SER 50 HA SER 50 0.628 6.392 3.995 416 1HB SER 50 2HB SER 50 0.282 4.287 5.052 417 2HB SER 50 1HB SER 50 -0.245 5.503 6.214 418 HG SER 50 HG SER 50 -2.398 5.105 5.506 419 H ASN 51 H ASN 51 0.227 3.974 2.973 420 HA ASN 51 HA ASN 51 -1.974 4.059 1.071 421 1HB ASN 51 2HB ASN 51 -0.216 3.525 -0.779 422 2HB ASN 51 1HB ASN 51 -0.487 5.200 -0.307 423 1HD2 ASN 51 1HD2 ASN 51 1.533 2.415 0.559 424 2HD2 ASN 51 2HD2 ASN 51 2.978 3.327 0.815 425 H HIS 52 H HIS 52 -2.044 2.045 -0.270 426 HA HIS 52 HA HIS 52 -1.040 -0.234 1.304 427 1HB HIS 52 2HB HIS 52 -3.494 -0.163 -0.461 428 2HB HIS 52 1HB HIS 52 -2.989 -1.484 0.586 429 HD1 HIS 52 HD1 HIS 52 -3.923 2.188 0.992 430 HD2 HIS 52 HD2 HIS 52 -4.264 -1.453 2.965 431 HE1 HIS 52 HE1 HIS 52 -5.278 2.667 3.055 432 HE2 HIS 52 HE2 HIS 52 -5.424 0.460 4.264 433 H VAL 53 H VAL 53 0.118 -1.789 0.312 434 HA VAL 53 HA VAL 53 0.729 -1.385 -2.526 435 HB VAL 53 HB VAL 53 2.642 -1.404 -0.981 436 1HG1 VAL 53 1HG1 VAL 53 2.569 -4.289 -0.496 437 2HG1 VAL 53 2HG1 VAL 53 1.311 -3.382 0.346 438 3HG1 VAL 53 3HG1 VAL 53 3.009 -2.965 0.583 439 1HG2 VAL 53 1HG2 VAL 53 3.081 -3.930 -2.423 440 2HG2 VAL 53 2HG2 VAL 53 3.975 -2.412 -2.490 441 3HG2 VAL 53 3HG2 VAL 53 2.478 -2.594 -3.403 442 H LEU 54 H LEU 54 0.072 -2.777 -4.033 443 HA LEU 54 HA LEU 54 -0.847 -5.441 -3.177 444 1HB LEU 54 2HB LEU 54 -2.109 -3.811 -5.378 445 2HB LEU 54 1HB LEU 54 -2.678 -5.336 -4.726 446 HG LEU 54 HG LEU 54 -2.470 -3.031 -2.856 447 1HD1 LEU 54 1HD1 LEU 54 -4.447 -3.259 -5.095 448 2HD1 LEU 54 2HD1 LEU 54 -3.537 -1.848 -4.555 449 3HD1 LEU 54 3HD1 LEU 54 -4.868 -2.467 -3.577 450 1HD2 LEU 54 1HD2 LEU 54 -3.928 -4.220 -1.609 451 2HD2 LEU 54 2HD2 LEU 54 -3.313 -5.566 -2.570 452 3HD2 LEU 54 3HD2 LEU 54 -4.833 -4.788 -3.012 453 H PHE 55 H PHE 55 -0.110 -7.126 -4.329 454 HA PHE 55 HA PHE 55 1.771 -6.567 -6.482 455 1HB PHE 55 2HB PHE 55 1.232 -9.359 -5.596 456 2HB PHE 55 1HB PHE 55 2.757 -8.588 -6.017 457 HD1 PHE 55 HD1 PHE 55 1.302 -10.183 -3.464 458 HD2 PHE 55 HD2 PHE 55 3.061 -6.391 -4.262 459 HE1 PHE 55 HE1 PHE 55 1.824 -9.926 -1.073 460 HE2 PHE 55 HE2 PHE 55 3.586 -6.127 -1.873 461 HZ PHE 55 HZ PHE 55 2.968 -7.896 -0.275 462 H LEU 56 H LEU 56 1.431 -7.022 -8.582 463 HA LEU 56 HA LEU 56 -1.220 -7.977 -9.331 464 1HB LEU 56 2HB LEU 56 0.913 -7.008 -11.215 465 2HB LEU 56 1HB LEU 56 -0.820 -7.061 -11.474 466 HG LEU 56 HG LEU 56 0.522 -5.246 -9.473 467 1HD1 LEU 56 1HD1 LEU 56 -0.363 -4.726 -12.302 468 2HD1 LEU 56 2HD1 LEU 56 1.263 -4.572 -11.639 469 3HD1 LEU 56 3HD1 LEU 56 -0.007 -3.458 -11.130 470 1HD2 LEU 56 1HD2 LEU 56 -2.151 -4.682 -10.588 471 2HD2 LEU 56 2HD2 LEU 56 -1.525 -4.440 -8.957 472 3HD2 LEU 56 3HD2 LEU 56 -2.040 -6.045 -9.476 473 H SER 57 H SER 57 -0.792 -10.185 -8.698 474 HA SER 57 HA SER 57 1.225 -11.711 -10.040 475 1HB SER 57 2HB SER 57 -0.710 -12.140 -7.928 476 2HB SER 57 1HB SER 57 -0.701 -13.495 -9.055 477 HG SER 57 HG SER 57 0.884 -13.958 -7.632 478 H SER 58 H SER 58 -2.272 -12.356 -10.036 479 HA SER 58 HA SER 58 -2.118 -13.533 -12.652 480 1HB SER 58 2HB SER 58 -4.761 -12.884 -11.448 481 2HB SER 58 1HB SER 58 -4.214 -14.362 -12.239 482 HG SER 58 HG SER 58 -2.920 -14.724 -10.320 483 H TYR 59 H TYR 59 -1.289 -11.579 -13.721 484 HA TYR 59 HA TYR 59 -3.503 -9.818 -14.539 485 1HB TYR 59 2HB TYR 59 -1.193 -9.029 -13.168 486 2HB TYR 59 1HB TYR 59 -0.911 -8.555 -14.839 487 HD1 TYR 59 HD1 TYR 59 -3.014 -8.040 -11.879 488 HD2 TYR 59 HD2 TYR 59 -2.256 -6.841 -15.891 489 HE1 TYR 59 HE1 TYR 59 -4.428 -6.055 -11.547 490 HE2 TYR 59 HE2 TYR 59 -3.667 -4.852 -15.569 491 HH TYR 59 HH TYR 59 -5.757 -4.483 -12.959 492 H ASN 60 H ASN 60 -3.966 -10.883 -16.425 493 HA ASN 60 HA ASN 60 -1.918 -10.685 -18.516 494 1HB ASN 60 2HB ASN 60 -3.640 -13.118 -17.998 495 2HB ASN 60 1HB ASN 60 -2.610 -12.894 -19.410 496 1HD2 ASN 60 1HD2 ASN 60 -2.654 -13.323 -15.939 497 2HD2 ASN 60 2HD2 ASN 60 -1.026 -13.880 -15.794 498 H SER 61 H SER 61 -5.300 -11.760 -18.130 499 HA SER 61 HA SER 61 -6.014 -10.418 -20.606 500 1HB SER 61 2HB SER 61 -8.191 -11.499 -20.332 501 2HB SER 61 1HB SER 61 -6.896 -12.678 -20.130 502 HG SER 61 HG SER 61 -8.819 -11.962 -18.394 503 H VAL 62 H VAL 62 -7.069 -8.535 -20.766 504 HA VAL 62 HA VAL 62 -7.262 -6.778 -18.590 505 HB VAL 62 HB VAL 62 -8.710 -5.395 -20.152 506 1HG1 VAL 62 1HG1 VAL 62 -6.167 -5.353 -19.934 507 2HG1 VAL 62 2HG1 VAL 62 -6.867 -4.660 -21.398 508 3HG1 VAL 62 3HG1 VAL 62 -6.143 -6.269 -21.442 509 1HG2 VAL 62 1HG2 VAL 62 -9.221 -7.729 -21.403 510 2HG2 VAL 62 2HG2 VAL 62 -7.915 -7.108 -22.413 511 3HG2 VAL 62 3HG2 VAL 62 -9.376 -6.150 -22.171 512 H ASP 63 H ASP 63 -9.515 -5.536 -18.336 513 HA ASP 63 HA ASP 63 -11.630 -5.542 -17.498 514 1HB ASP 63 2HB ASP 63 -11.650 -7.690 -19.430 515 2HB ASP 63 1HB ASP 63 -12.687 -8.087 -18.064 516 H GLU 64 H GLU 64 -10.632 -8.958 -17.224 517 HA GLU 64 HA GLU 64 -11.663 -9.290 -14.628 518 1HB GLU 64 2HB GLU 64 -11.154 -11.142 -16.215 519 2HB GLU 64 1HB GLU 64 -9.440 -10.863 -15.939 520 1HG GLU 64 2HG GLU 64 -10.223 -11.172 -13.409 521 2HG GLU 64 1HG GLU 64 -11.461 -12.140 -14.206 522 H ILE 65 H ILE 65 -8.615 -8.087 -15.799 523 HA ILE 65 HA ILE 65 -7.460 -8.129 -13.115 524 HB ILE 65 HB ILE 65 -5.385 -7.392 -14.171 525 1HG1 ILE 65 2HG1 ILE 65 -6.994 -7.434 -16.735 526 2HG1 ILE 65 1HG1 ILE 65 -6.325 -6.005 -15.953 527 1HG2 ILE 65 1HG2 ILE 65 -5.610 -9.728 -14.055 528 2HG2 ILE 65 2HG2 ILE 65 -5.078 -9.397 -15.703 529 3HG2 ILE 65 3HG2 ILE 65 -6.772 -9.764 -15.382 530 1HD1 ILE 65 1HD1 ILE 65 -4.390 -6.279 -16.985 531 2HD1 ILE 65 2HD1 ILE 65 -5.140 -7.570 -17.923 532 3HD1 ILE 65 3HD1 ILE 65 -4.266 -7.950 -16.438 533 H ARG 66 H ARG 66 -8.494 -5.873 -15.621 534 HA ARG 66 HA ARG 66 -7.591 -3.501 -14.432 535 1HB ARG 66 2HB ARG 66 -8.522 -3.856 -16.789 536 2HB ARG 66 1HB ARG 66 -10.117 -3.722 -16.061 537 1HG ARG 66 2HG ARG 66 -9.443 -1.484 -15.183 538 2HG ARG 66 1HG ARG 66 -7.961 -1.626 -16.131 539 1HD ARG 66 2HD ARG 66 -9.032 -1.308 -18.106 540 2HD ARG 66 1HD ARG 66 -10.504 -2.110 -17.560 541 HE ARG 66 HE ARG 66 -10.036 0.417 -16.280 542 1HH1 ARG 66 2HH1 ARG 66 -11.391 -1.149 -19.089 543 2HH1 ARG 66 1HH1 ARG 66 -12.490 0.143 -19.434 544 1HH2 ARG 66 1HH2 ARG 66 -11.482 2.116 -16.731 545 2HH2 ARG 66 2HH2 ARG 66 -12.542 1.997 -18.096 546 H LYS 67 H LYS 67 -10.753 -5.116 -14.215 547 HA LYS 67 HA LYS 67 -11.901 -3.239 -12.441 548 1HB LYS 67 2HB LYS 67 -12.574 -6.114 -13.059 549 2HB LYS 67 1HB LYS 67 -13.531 -5.125 -11.965 550 1HG LYS 67 2HG LYS 67 -13.971 -3.545 -13.781 551 2HG LYS 67 1HG LYS 67 -13.019 -4.549 -14.876 552 1HD LYS 67 2HD LYS 67 -14.659 -6.087 -15.099 553 2HD LYS 67 1HD LYS 67 -15.158 -5.948 -13.411 554 1HE LYS 67 2HE LYS 67 -15.693 -3.669 -15.251 555 2HE LYS 67 1HE LYS 67 -16.702 -5.108 -15.379 556 1HZ LYS 67 1HZ LYS 67 -16.730 -4.722 -12.751 557 2HZ LYS 67 2HZ LYS 67 -17.877 -4.050 -13.797 558 3HZ LYS 67 3HZ LYS 67 -16.568 -3.119 -13.267 559 H GLU 68 H GLU 68 -9.922 -6.080 -11.967 560 HA GLU 68 HA GLU 68 -10.401 -6.529 -9.244 561 1HB GLU 68 2HB GLU 68 -8.308 -7.254 -11.193 562 2HB GLU 68 1HB GLU 68 -7.790 -7.253 -9.513 563 1HG GLU 68 2HG GLU 68 -10.331 -8.630 -10.168 564 2HG GLU 68 1HG GLU 68 -8.824 -9.389 -10.680 565 H LEU 69 H LEU 69 -7.925 -4.540 -10.838 566 HA LEU 69 HA LEU 69 -6.721 -3.617 -8.457 567 1HB LEU 69 2HB LEU 69 -5.698 -3.546 -10.736 568 2HB LEU 69 1HB LEU 69 -6.794 -2.238 -11.141 569 HG LEU 69 HG LEU 69 -5.729 -1.065 -9.059 570 1HD1 LEU 69 1HD1 LEU 69 -3.269 -2.521 -9.804 571 2HD1 LEU 69 2HD1 LEU 69 -4.410 -3.374 -8.765 572 3HD1 LEU 69 3HD1 LEU 69 -3.751 -1.817 -8.260 573 1HD2 LEU 69 1HD2 LEU 69 -5.556 -0.262 -11.352 574 2HD2 LEU 69 2HD2 LEU 69 -4.249 -1.403 -11.666 575 3HD2 LEU 69 3HD2 LEU 69 -4.017 -0.090 -10.511 576 H GLU 70 H GLU 70 -9.099 -2.083 -10.624 577 HA GLU 70 HA GLU 70 -9.429 0.297 -9.236 578 1HB GLU 70 2HB GLU 70 -11.187 -1.315 -11.038 579 2HB GLU 70 1HB GLU 70 -11.887 0.048 -10.175 580 1HG GLU 70 2HG GLU 70 -9.363 0.440 -11.705 581 2HG GLU 70 1HG GLU 70 -10.897 0.346 -12.570 582 H GLU 71 H GLU 71 -10.737 -2.885 -8.608 583 HA GLU 71 HA GLU 71 -12.705 -2.168 -6.730 584 1HB GLU 71 2HB GLU 71 -11.229 -4.659 -7.421 585 2HB GLU 71 1HB GLU 71 -12.053 -4.611 -5.869 586 1HG GLU 71 2HG GLU 71 -14.159 -4.278 -6.891 587 2HG GLU 71 1HG GLU 71 -13.421 -3.956 -8.459 588 H ALA 72 H ALA 72 -9.278 -2.989 -6.388 589 HA ALA 72 HA ALA 72 -9.306 -2.679 -3.528 590 1HB ALA 72 1HB ALA 72 -7.677 -4.017 -5.212 591 2HB ALA 72 2HB ALA 72 -7.231 -3.558 -3.569 592 3HB ALA 72 3HB ALA 72 -6.720 -2.562 -4.932 593 H GLY 73 H GLY 73 -8.951 -0.595 -6.237 594 1HA GLY 73 2HA GLY 73 -7.309 1.413 -5.180 595 2HA GLY 73 1HA GLY 73 -8.533 1.651 -6.417 596 H ALA 74 H ALA 74 -10.864 1.595 -5.464 597 HA ALA 74 HA ALA 74 -11.072 2.658 -2.781 598 1HB ALA 74 1HB ALA 74 -11.997 4.788 -3.378 599 2HB ALA 74 2HB ALA 74 -11.895 4.400 -5.096 600 3HB ALA 74 3HB ALA 74 -10.421 4.620 -4.153 601 H LYS 75 H LYS 75 -12.140 0.351 -3.616 602 HA LYS 75 HA LYS 75 -14.940 0.886 -4.303 603 1HB LYS 75 2HB LYS 75 -13.341 -0.952 -5.368 604 2HB LYS 75 1HB LYS 75 -13.897 -1.888 -3.988 605 1HG LYS 75 2HG LYS 75 -15.559 -2.485 -5.362 606 2HG LYS 75 1HG LYS 75 -16.246 -0.921 -4.923 607 1HD LYS 75 2HD LYS 75 -14.458 -1.405 -7.304 608 2HD LYS 75 1HD LYS 75 -16.220 -1.339 -7.369 609 1HE LYS 75 2HE LYS 75 -14.524 0.907 -6.301 610 2HE LYS 75 1HE LYS 75 -15.009 0.788 -7.991 611 1HZ LYS 75 1HZ LYS 75 -17.360 0.498 -6.794 612 2HZ LYS 75 2HZ LYS 75 -16.739 2.002 -7.257 613 3HZ LYS 75 3HZ LYS 75 -16.588 1.482 -5.654 614 H ILE 76 H ILE 76 -16.630 -0.249 -3.110 615 HA ILE 76 HA ILE 76 -16.545 0.217 -0.372 616 HB ILE 76 HB ILE 76 -18.343 -1.804 -1.702 617 1HG1 ILE 76 2HG1 ILE 76 -19.786 0.527 -1.555 618 2HG1 ILE 76 1HG1 ILE 76 -18.185 1.116 -1.991 619 1HG2 ILE 76 1HG2 ILE 76 -18.506 -0.188 0.822 620 2HG2 ILE 76 2HG2 ILE 76 -18.616 -1.937 0.623 621 3HG2 ILE 76 3HG2 ILE 76 -19.933 -0.901 0.072 622 1HD1 ILE 76 1HD1 ILE 76 -18.454 -0.936 -3.724 623 2HD1 ILE 76 2HD1 ILE 76 -18.891 0.735 -4.078 624 3HD1 ILE 76 3HD1 ILE 76 -20.129 -0.410 -3.562 625 H ASN 77 H ASN 77 -15.811 -0.886 1.332 626 HA ASN 77 HA ASN 77 -14.831 -2.504 2.593 627 1HB ASN 77 2HB ASN 77 -17.023 -3.681 1.513 628 2HB ASN 77 1HB ASN 77 -15.759 -4.745 0.902 629 1HD2 ASN 77 1HD2 ASN 77 -13.973 -4.600 3.028 630 2HD2 ASN 77 2HD2 ASN 77 -14.683 -5.372 4.402 631 H HIS 78 H HIS 78 -12.690 -2.141 2.180 632 HA HIS 78 HA HIS 78 -11.480 -3.514 -0.113 633 1HB HIS 78 2HB HIS 78 -11.005 -1.103 0.126 634 2HB HIS 78 1HB HIS 78 -10.300 -1.407 1.710 635 HD1 HIS 78 HD1 HIS 78 -7.988 -0.545 0.975 636 HD2 HIS 78 HD2 HIS 78 -9.370 -3.771 -1.251 637 HE1 HIS 78 HE1 HIS 78 -6.004 -1.352 -0.340 638 HE2 HIS 78 HE2 HIS 78 -6.841 -3.361 -1.610 639 H THR 79 H THR 79 -11.490 -3.384 3.380 640 HA THR 79 HA THR 79 -9.167 -4.835 3.924 641 HB THR 79 HB THR 79 -10.876 -5.627 5.921 642 HG1 THR 79 HG1 THR 79 -12.526 -4.355 4.784 643 1HG2 THR 79 1HG2 THR 79 -10.207 -3.287 6.938 644 2HG2 THR 79 2HG2 THR 79 -9.111 -3.277 5.557 645 3HG2 THR 79 3HG2 THR 79 -9.033 -4.588 6.735 646 H THR 80 H THR 80 -12.321 -6.314 4.516 647 HA THR 80 HA THR 80 -13.062 -8.430 4.356 648 HB THR 80 HB THR 80 -13.675 -8.191 2.187 649 HG1 THR 80 HG1 THR 80 -13.297 -10.181 1.720 650 1HG2 THR 80 1HG2 THR 80 -12.333 -7.619 0.311 651 2HG2 THR 80 2HG2 THR 80 -10.849 -7.831 1.234 652 3HG2 THR 80 3HG2 THR 80 -11.947 -6.505 1.620 653 H LEU 81 H LEU 81 -9.903 -8.632 2.701 654 HA LEU 81 HA LEU 81 -8.045 -9.864 3.206 655 1HB LEU 81 2HB LEU 81 -9.323 -9.781 5.689 656 2HB LEU 81 1HB LEU 81 -9.048 -11.487 5.393 657 HG LEU 81 HG LEU 81 -6.854 -9.435 5.175 658 1HD1 LEU 81 1HD1 LEU 81 -6.199 -9.942 7.415 659 2HD1 LEU 81 2HD1 LEU 81 -7.483 -11.141 7.575 660 3HD1 LEU 81 3HD1 LEU 81 -7.885 -9.428 7.442 661 1HD2 LEU 81 1HD2 LEU 81 -5.391 -11.216 5.080 662 2HD2 LEU 81 2HD2 LEU 81 -6.765 -11.831 4.162 663 3HD2 LEU 81 3HD2 LEU 81 -6.530 -12.329 5.837 664 H LYS 82 H LYS 82 -11.156 -10.979 2.594 665 HA LYS 82 HA LYS 82 -10.485 -13.770 2.282 666 1HB LYS 82 2HB LYS 82 -12.902 -12.097 2.019 667 2HB LYS 82 1HB LYS 82 -12.822 -13.463 0.915 668 1HG LYS 82 2HG LYS 82 -12.085 -14.331 3.533 669 2HG LYS 82 1HG LYS 82 -13.610 -13.447 3.616 670 1HD LYS 82 2HD LYS 82 -14.695 -14.934 2.203 671 2HD LYS 82 1HD LYS 82 -13.187 -15.523 1.502 672 1HE LYS 82 2HE LYS 82 -13.067 -17.164 2.996 673 2HE LYS 82 1HE LYS 82 -13.234 -16.026 4.332 674 1HZ LYS 82 1HZ LYS 82 -15.683 -16.085 3.876 675 2HZ LYS 82 2HZ LYS 82 -15.031 -17.527 4.476 676 3HZ LYS 82 3HZ LYS 82 -15.398 -17.385 2.830 677 H ILE 83 H ILE 83 -11.336 -11.107 0.073 678 HA ILE 83 HA ILE 83 -10.843 -12.486 -2.316 679 HB ILE 83 HB ILE 83 -10.534 -10.233 -3.341 680 1HG1 ILE 83 2HG1 ILE 83 -11.299 -8.428 -1.454 681 2HG1 ILE 83 1HG1 ILE 83 -10.296 -9.505 -0.488 682 1HG2 ILE 83 1HG2 ILE 83 -12.793 -9.576 -3.111 683 2HG2 ILE 83 2HG2 ILE 83 -12.905 -10.266 -1.492 684 3HG2 ILE 83 3HG2 ILE 83 -12.767 -11.326 -2.895 685 1HD1 ILE 83 1HD1 ILE 83 -8.604 -9.193 -2.458 686 2HD1 ILE 83 2HD1 ILE 83 -8.755 -7.976 -1.190 687 3HD1 ILE 83 3HD1 ILE 83 -9.544 -7.730 -2.748 688 H LEU 84 H LEU 84 -8.721 -10.790 -0.107 689 HA LEU 84 HA LEU 84 -6.432 -10.723 -1.773 690 1HB LEU 84 2HB LEU 84 -6.607 -9.298 0.184 691 2HB LEU 84 1HB LEU 84 -6.694 -10.699 1.235 692 HG LEU 84 HG LEU 84 -4.323 -11.174 0.037 693 1HD1 LEU 84 1HD1 LEU 84 -3.996 -8.281 0.491 694 2HD1 LEU 84 2HD1 LEU 84 -4.827 -8.746 -0.994 695 3HD1 LEU 84 3HD1 LEU 84 -3.203 -9.350 -0.666 696 1HD2 LEU 84 1HD2 LEU 84 -3.462 -9.701 2.099 697 2HD2 LEU 84 2HD2 LEU 84 -4.195 -11.293 2.294 698 3HD2 LEU 84 3HD2 LEU 84 -5.164 -9.840 2.537 699 H GLU 85 H GLU 85 -7.751 -13.084 0.478 700 HA GLU 85 HA GLU 85 -5.500 -14.810 0.503 701 1HB GLU 85 2HB GLU 85 -8.370 -15.035 1.290 702 2HB GLU 85 1HB GLU 85 -7.440 -16.516 1.113 703 1HG GLU 85 2HG GLU 85 -6.585 -14.215 2.849 704 2HG GLU 85 1HG GLU 85 -7.539 -15.580 3.429 705 H GLY 86 H GLY 86 -8.168 -14.361 -1.693 706 1HA GLY 86 2HA GLY 86 -7.288 -16.732 -3.217 707 2HA GLY 86 1HA GLY 86 -8.902 -16.045 -3.292 708 H HIS 87 H HIS 87 -6.441 -13.697 -3.212 709 HA HIS 87 HA HIS 87 -6.687 -13.340 -6.126 710 1HB HIS 87 2HB HIS 87 -7.740 -11.528 -4.868 711 2HB HIS 87 1HB HIS 87 -6.248 -11.257 -3.974 712 HD1 HIS 87 HD1 HIS 87 -7.167 -11.376 -7.677 713 HD2 HIS 87 HD2 HIS 87 -4.952 -9.122 -4.978 714 HE1 HIS 87 HE1 HIS 87 -6.166 -9.505 -9.026 715 HE2 HIS 87 HE2 HIS 87 -4.905 -8.103 -7.354 716 H LEU 88 HN LEU 88 -4.501 -13.301 -3.377 717 HA LEU 88 HA LEU 88 -2.219 -12.975 -5.197 718 1HB LEU 88 2HB LEU 88 -2.642 -12.458 -2.290 719 2HB LEU 88 1HB LEU 88 -1.024 -12.837 -2.848 720 HG LEU 88 HG LEU 88 -1.248 -10.455 -2.747 721 1HD1 LEU 88 1HD1 LEU 88 -0.571 -9.860 -4.921 722 2HD1 LEU 88 2HD1 LEU 88 -1.514 -11.156 -5.656 723 3HD1 LEU 88 3HD1 LEU 88 -0.075 -11.540 -4.712 724 1HD2 LEU 88 1HD2 LEU 88 -3.755 -10.910 -4.342 725 2HD2 LEU 88 2HD2 LEU 88 -2.957 -9.340 -4.262 726 3HD2 LEU 88 3HD2 LEU 88 -3.572 -10.092 -2.790 Start of MODEL 19 1 1H LEU 1 1H LEU 1 -9.691 19.219 -4.862 2 2H LEU 1 2H LEU 1 -10.285 20.119 -3.526 3 3H LEU 1 3H LEU 1 -11.317 19.765 -4.852 4 HA LEU 1 HA LEU 1 -10.061 17.675 -3.223 5 1HB LEU 1 2HB LEU 1 -12.374 17.616 -2.130 6 2HB LEU 1 1HB LEU 1 -11.266 18.879 -1.624 7 HG LEU 1 HG LEU 1 -13.122 19.581 -3.820 8 1HD1 LEU 1 1HD1 LEU 1 -14.024 18.674 -1.158 9 2HD1 LEU 1 2HD1 LEU 1 -14.875 18.693 -2.702 10 3HD1 LEU 1 3HD1 LEU 1 -14.724 20.177 -1.760 11 1HD2 LEU 1 1HD2 LEU 1 -11.957 21.428 -3.215 12 2HD2 LEU 1 2HD2 LEU 1 -11.715 20.870 -1.560 13 3HD2 LEU 1 3HD2 LEU 1 -13.264 21.566 -2.039 14 H PHE 2 H PHE 2 -9.924 16.326 -5.014 15 HA PHE 2 HA PHE 2 -12.514 15.409 -6.053 16 1HB PHE 2 2HB PHE 2 -10.026 16.018 -7.644 17 2HB PHE 2 1HB PHE 2 -11.330 15.012 -8.266 18 HD1 PHE 2 HD1 PHE 2 -10.041 18.223 -8.244 19 HD2 PHE 2 HD2 PHE 2 -13.744 16.144 -7.960 20 HE1 PHE 2 HE1 PHE 2 -11.229 20.242 -8.999 21 HE2 PHE 2 HE2 PHE 2 -14.937 18.159 -8.714 22 HZ PHE 2 HZ PHE 2 -13.680 20.211 -9.236 23 H ILE 3 H ILE 3 -10.321 14.495 -4.062 24 HA ILE 3 HA ILE 3 -9.339 12.551 -3.394 25 HB ILE 3 HB ILE 3 -11.434 11.227 -5.115 26 1HG1 ILE 3 2HG1 ILE 3 -11.967 11.542 -2.242 27 2HG1 ILE 3 1HG1 ILE 3 -11.945 13.059 -3.135 28 1HG2 ILE 3 1HG2 ILE 3 -11.256 9.407 -3.491 29 2HG2 ILE 3 2HG2 ILE 3 -9.991 10.291 -2.639 30 3HG2 ILE 3 3HG2 ILE 3 -9.712 9.719 -4.284 31 1HD1 ILE 3 1HD1 ILE 3 -13.468 10.960 -4.459 32 2HD1 ILE 3 2HD1 ILE 3 -13.899 12.634 -4.110 33 3HD1 ILE 3 3HD1 ILE 3 -14.091 11.396 -2.868 34 H ALA 4 H ALA 4 -7.378 12.923 -4.530 35 HA ALA 4 HA ALA 4 -7.061 11.735 -7.163 36 1HB ALA 4 1HB ALA 4 -5.223 13.026 -7.393 37 2HB ALA 4 2HB ALA 4 -4.685 12.742 -5.738 38 3HB ALA 4 3HB ALA 4 -5.950 13.927 -6.062 39 H THR 5 H THR 5 -6.881 9.585 -7.209 40 HA THR 5 HA THR 5 -5.711 8.092 -5.048 41 HB THR 5 HB THR 5 -6.157 6.126 -6.477 42 HG1 THR 5 HG1 THR 5 -7.190 6.481 -8.482 43 1HG2 THR 5 1HG2 THR 5 -8.169 6.219 -5.569 44 2HG2 THR 5 2HG2 THR 5 -8.706 7.085 -7.010 45 3HG2 THR 5 3HG2 THR 5 -8.166 7.983 -5.590 46 H LEU 6 H LEU 6 -3.576 8.140 -4.773 47 HA LEU 6 HA LEU 6 -1.722 8.647 -6.865 48 1HB LEU 6 2HB LEU 6 -1.631 8.788 -4.149 49 2HB LEU 6 1HB LEU 6 -0.709 7.325 -4.436 50 HG LEU 6 HG LEU 6 -0.027 9.774 -6.000 51 1HD1 LEU 6 1HD1 LEU 6 1.685 10.016 -3.953 52 2HD1 LEU 6 2HD1 LEU 6 0.264 9.441 -3.082 53 3HD1 LEU 6 3HD1 LEU 6 0.167 10.907 -4.056 54 1HD2 LEU 6 1HD2 LEU 6 2.287 8.623 -5.299 55 2HD2 LEU 6 2HD2 LEU 6 1.358 8.136 -6.716 56 3HD2 LEU 6 3HD2 LEU 6 1.226 7.216 -5.217 57 H LYS 7 H LYS 7 -1.602 7.202 -8.484 58 HA LYS 7 HA LYS 7 -1.458 4.347 -7.843 59 1HB LYS 7 2HB LYS 7 -2.756 5.740 -9.865 60 2HB LYS 7 1HB LYS 7 -1.362 5.039 -10.675 61 1HG LYS 7 2HG LYS 7 -2.188 2.887 -9.328 62 2HG LYS 7 1HG LYS 7 -3.731 3.729 -9.491 63 1HD LYS 7 2HD LYS 7 -3.036 3.981 -11.981 64 2HD LYS 7 1HD LYS 7 -1.920 2.662 -11.622 65 1HE LYS 7 2HE LYS 7 -3.857 1.618 -12.444 66 2HE LYS 7 1HE LYS 7 -3.937 1.420 -10.693 67 1HZ LYS 7 1HZ LYS 7 -5.634 2.980 -12.464 68 2HZ LYS 7 2HZ LYS 7 -5.261 3.701 -10.980 69 3HZ LYS 7 3HZ LYS 7 -6.014 2.188 -11.018 70 H GLY 8 H GLY 8 0.473 3.428 -7.653 71 1HA GLY 8 2HA GLY 8 2.742 4.641 -9.110 72 2HA GLY 8 1HA GLY 8 2.889 3.859 -7.543 73 H ILE 9 H ILE 9 3.291 3.475 -10.824 74 HA ILE 9 HA ILE 9 2.848 0.598 -10.845 75 HB ILE 9 HB ILE 9 3.970 2.323 -13.054 76 1HG1 ILE 9 2HG1 ILE 9 1.207 1.363 -13.300 77 2HG1 ILE 9 1HG1 ILE 9 1.436 2.524 -11.996 78 1HG2 ILE 9 1HG2 ILE 9 2.836 0.304 -14.336 79 2HG2 ILE 9 2HG2 ILE 9 3.167 -0.526 -12.816 80 3HG2 ILE 9 3HG2 ILE 9 4.488 0.207 -13.725 81 1HD1 ILE 9 1HD1 ILE 9 1.399 4.176 -13.456 82 2HD1 ILE 9 2HD1 ILE 9 1.157 3.013 -14.760 83 3HD1 ILE 9 3HD1 ILE 9 2.790 3.490 -14.295 84 H PHE 10 H PHE 10 4.463 0.170 -9.208 85 HA PHE 10 HA PHE 10 7.254 0.529 -9.999 86 1HB PHE 10 2HB PHE 10 6.076 -0.624 -7.459 87 2HB PHE 10 1HB PHE 10 7.766 -0.226 -7.727 88 HD1 PHE 10 HD1 PHE 10 6.313 2.319 -9.397 89 HD2 PHE 10 HD2 PHE 10 6.636 0.877 -5.404 90 HE1 PHE 10 HE1 PHE 10 5.898 4.584 -8.552 91 HE2 PHE 10 HE2 PHE 10 6.224 3.149 -4.553 92 HZ PHE 10 HZ PHE 10 5.852 5.005 -6.126 93 H THR 11 H THR 11 7.343 -0.966 -11.740 94 HA THR 11 HA THR 11 6.919 -3.788 -11.038 95 HB THR 11 HB THR 11 5.621 -3.242 -12.932 96 HG1 THR 11 HG1 THR 11 8.002 -4.328 -14.010 97 1HG2 THR 11 1HG2 THR 11 7.820 -1.480 -13.609 98 2HG2 THR 11 2HG2 THR 11 6.127 -1.423 -14.096 99 3HG2 THR 11 3HG2 THR 11 7.266 -2.438 -14.981 100 H LEU 12 H LEU 12 8.287 -5.382 -11.833 101 HA LEU 12 HA LEU 12 10.326 -6.366 -11.621 102 1HB LEU 12 2HB LEU 12 11.710 -6.015 -13.532 103 2HB LEU 12 1HB LEU 12 10.037 -5.890 -14.027 104 HG LEU 12 HG LEU 12 11.047 -3.276 -13.376 105 1HD1 LEU 12 1HD1 LEU 12 12.956 -3.050 -14.547 106 2HD1 LEU 12 2HD1 LEU 12 12.487 -4.252 -15.749 107 3HD1 LEU 12 3HD1 LEU 12 13.128 -4.769 -14.190 108 1HD2 LEU 12 1HD2 LEU 12 10.605 -3.475 -16.122 109 2HD2 LEU 12 2HD2 LEU 12 9.463 -2.927 -14.896 110 3HD2 LEU 12 3HD2 LEU 12 9.482 -4.620 -15.390 111 H LYS 13 H LYS 13 12.869 -5.527 -12.095 112 HA LYS 13 HA LYS 13 13.656 -4.492 -9.633 113 1HB LYS 13 2HB LYS 13 15.210 -4.526 -12.224 114 2HB LYS 13 1HB LYS 13 15.901 -4.280 -10.625 115 1HG LYS 13 2HG LYS 13 14.585 -6.769 -11.684 116 2HG LYS 13 1HG LYS 13 16.282 -6.545 -11.257 117 1HD LYS 13 2HD LYS 13 15.615 -7.538 -9.331 118 2HD LYS 13 1HD LYS 13 15.147 -5.888 -8.916 119 1HE LYS 13 2HE LYS 13 13.385 -7.577 -8.451 120 2HE LYS 13 1HE LYS 13 12.876 -6.307 -9.561 121 1HZ LYS 13 1HZ LYS 13 12.490 -8.882 -10.034 122 2HZ LYS 13 2HZ LYS 13 14.003 -8.700 -10.770 123 3HZ LYS 13 3HZ LYS 13 12.699 -7.745 -11.271 124 H ASP 14 H ASP 14 12.631 -2.892 -12.497 125 HA ASP 14 HA ASP 14 13.753 -0.328 -11.731 126 1HB ASP 14 2HB ASP 14 13.440 -1.175 -14.146 127 2HB ASP 14 1HB ASP 14 11.737 -0.780 -13.925 128 H LEU 15 H LEU 15 11.594 -1.952 -10.239 129 HA LEU 15 HA LEU 15 9.221 -0.423 -10.301 130 1HB LEU 15 2HB LEU 15 8.621 -1.674 -8.278 131 2HB LEU 15 1HB LEU 15 9.190 -2.712 -9.564 132 HG LEU 15 HG LEU 15 11.453 -2.687 -8.381 133 1HD1 LEU 15 1HD1 LEU 15 10.654 -2.371 -5.764 134 2HD1 LEU 15 2HD1 LEU 15 9.883 -1.016 -6.589 135 3HD1 LEU 15 3HD1 LEU 15 11.629 -1.235 -6.695 136 1HD2 LEU 15 1HD2 LEU 15 10.325 -4.210 -6.482 137 2HD2 LEU 15 2HD2 LEU 15 10.513 -4.727 -8.159 138 3HD2 LEU 15 3HD2 LEU 15 8.970 -4.076 -7.603 139 HA PRO 16 HA PRO 16 11.502 1.489 -6.275 140 1HB PRO 16 2HB PRO 16 13.798 2.388 -7.956 141 2HB PRO 16 1HB PRO 16 13.765 1.940 -6.249 142 1HG PRO 16 2HG PRO 16 14.754 0.251 -8.016 143 2HG PRO 16 1HG PRO 16 13.698 -0.347 -6.720 144 1HD PRO 16 2HD PRO 16 13.072 0.151 -9.602 145 2HD PRO 16 1HD PRO 16 12.559 -1.187 -8.557 146 H GLU 17 H GLU 17 9.501 2.461 -7.692 147 HA GLU 17 HA GLU 17 8.545 4.264 -8.787 148 1HB GLU 17 2HB GLU 17 8.384 4.655 -6.389 149 2HB GLU 17 1HB GLU 17 9.934 5.475 -6.400 150 1HG GLU 17 2HG GLU 17 7.793 6.884 -6.349 151 2HG GLU 17 1HG GLU 17 9.080 7.354 -7.455 152 H GLU 18 H GLU 18 11.060 3.731 -10.032 153 HA GLU 18 HA GLU 18 12.683 4.689 -11.326 154 1HB GLU 18 2HB GLU 18 10.486 5.351 -12.399 155 2HB GLU 18 1HB GLU 18 10.674 6.919 -11.625 156 1HG GLU 18 2HG GLU 18 13.075 6.212 -13.030 157 2HG GLU 18 1HG GLU 18 11.679 6.099 -14.100 158 H PHE 19 H PHE 19 12.705 5.431 -8.455 159 HA PHE 19 HA PHE 19 14.639 7.552 -8.651 160 1HB PHE 19 2HB PHE 19 12.028 7.996 -7.198 161 2HB PHE 19 1HB PHE 19 13.468 8.969 -6.917 162 HD1 PHE 19 HD1 PHE 19 10.463 8.880 -8.603 163 HD2 PHE 19 HD2 PHE 19 14.561 9.838 -9.229 164 HE1 PHE 19 HE1 PHE 19 9.831 10.338 -10.480 165 HE2 PHE 19 HE2 PHE 19 13.937 11.300 -11.108 166 HZ PHE 19 HZ PHE 19 11.569 11.551 -11.736 167 H ARG 20 H ARG 20 12.613 6.637 -5.885 168 HA ARG 20 HA ARG 20 15.012 5.485 -4.623 169 1HB ARG 20 2HB ARG 20 13.129 7.479 -3.707 170 2HB ARG 20 1HB ARG 20 13.185 6.118 -2.596 171 1HG ARG 20 2HG ARG 20 14.837 7.419 -1.725 172 2HG ARG 20 1HG ARG 20 15.781 6.439 -2.848 173 1HD ARG 20 2HD ARG 20 15.673 8.212 -4.511 174 2HD ARG 20 1HD ARG 20 14.675 9.184 -3.431 175 HE ARG 20 HE ARG 20 17.508 8.942 -3.379 176 1HH1 ARG 20 2HH1 ARG 20 14.718 9.373 -1.328 177 2HH1 ARG 20 1HH1 ARG 20 15.602 10.191 -0.085 178 1HH2 ARG 20 1HH2 ARG 20 18.674 10.018 -1.742 179 2HH2 ARG 20 2HH2 ARG 20 17.846 10.558 -0.319 180 HA PRO 21 HA PRO 21 12.661 1.681 -4.681 181 1HB PRO 21 2HB PRO 21 14.668 0.703 -2.766 182 2HB PRO 21 1HB PRO 21 14.281 0.115 -4.384 183 1HG PRO 21 2HG PRO 21 16.568 1.425 -3.864 184 2HG PRO 21 1HG PRO 21 15.721 1.591 -5.412 185 1HD PRO 21 2HD PRO 21 15.765 3.451 -3.065 186 2HD PRO 21 1HD PRO 21 15.838 3.822 -4.801 187 H PHE 22 H PHE 22 10.799 1.734 -3.582 188 HA PHE 22 HA PHE 22 10.863 2.093 -0.672 189 1HB PHE 22 2HB PHE 22 9.298 3.374 -2.404 190 2HB PHE 22 1HB PHE 22 8.295 1.944 -2.187 191 HD1 PHE 22 HD1 PHE 22 8.257 5.099 -1.286 192 HD2 PHE 22 HD2 PHE 22 8.632 1.315 0.623 193 HE1 PHE 22 HE1 PHE 22 7.345 6.059 0.788 194 HE2 PHE 22 HE2 PHE 22 7.721 2.268 2.700 195 HZ PHE 22 HZ PHE 22 7.075 4.643 2.785 196 H VAL 23 H VAL 23 8.869 0.178 -2.932 197 HA VAL 23 HA VAL 23 8.535 -1.889 -0.942 198 HB VAL 23 HB VAL 23 7.266 -3.063 -2.771 199 1HG1 VAL 23 1HG1 VAL 23 5.428 -1.272 -2.819 200 2HG1 VAL 23 2HG1 VAL 23 6.526 -0.317 -1.823 201 3HG1 VAL 23 3HG1 VAL 23 5.950 -1.881 -1.248 202 1HG2 VAL 23 1HG2 VAL 23 7.539 -0.472 -4.274 203 2HG2 VAL 23 2HG2 VAL 23 6.791 -1.974 -4.817 204 3HG2 VAL 23 3HG2 VAL 23 8.540 -1.884 -4.610 205 H ASP 24 H ASP 24 10.983 -1.153 -3.042 206 HA ASP 24 HA ASP 24 11.655 -3.590 -4.226 207 1HB ASP 24 2HB ASP 24 12.702 -1.177 -4.441 208 2HB ASP 24 1HB ASP 24 13.807 -1.778 -3.208 209 H TYR 25 H TYR 25 11.879 -2.538 -0.934 210 HA TYR 25 HA TYR 25 13.889 -4.325 -0.070 211 1HB TYR 25 2HB TYR 25 13.304 -3.724 2.136 212 2HB TYR 25 1HB TYR 25 12.963 -2.290 1.178 213 HD1 TYR 25 HD1 TYR 25 11.212 -5.344 2.469 214 HD2 TYR 25 HD2 TYR 25 10.969 -1.207 1.522 215 HE1 TYR 25 HE1 TYR 25 8.927 -5.277 3.373 216 HE2 TYR 25 HE2 TYR 25 8.681 -1.127 2.418 217 HH TYR 25 HH TYR 25 6.793 -2.786 2.798 218 H LYS 26 H LYS 26 10.395 -4.631 -0.423 219 HA LYS 26 HA LYS 26 10.146 -7.118 0.891 220 1HB LYS 26 2HB LYS 26 7.967 -7.243 -0.025 221 2HB LYS 26 1HB LYS 26 8.271 -5.534 0.247 222 1HG LYS 26 2HG LYS 26 7.749 -5.128 -1.861 223 2HG LYS 26 1HG LYS 26 9.122 -6.105 -2.380 224 1HD LYS 26 2HD LYS 26 7.549 -7.363 -3.384 225 2HD LYS 26 1HD LYS 26 7.310 -8.032 -1.769 226 1HE LYS 26 2HE LYS 26 5.836 -5.551 -2.428 227 2HE LYS 26 1HE LYS 26 5.315 -7.027 -3.240 228 1HZ LYS 26 1HZ LYS 26 5.068 -8.078 -1.072 229 2HZ LYS 26 2HZ LYS 26 4.106 -6.693 -1.185 230 3HZ LYS 26 3HZ LYS 26 5.547 -6.650 -0.303 231 H ALA 27 H ALA 27 11.275 -6.223 -2.256 232 HA ALA 27 HA ALA 27 10.968 -8.756 -3.514 233 1HB ALA 27 1HB ALA 27 13.150 -6.999 -4.430 234 2HB ALA 27 2HB ALA 27 11.534 -6.292 -4.431 235 3HB ALA 27 3HB ALA 27 11.852 -7.769 -5.341 236 H GLY 28 H GLY 28 13.402 -7.319 -1.455 237 1HA GLY 28 2HA GLY 28 14.940 -9.837 -1.644 238 2HA GLY 28 1HA GLY 28 15.725 -8.271 -1.517 239 H LEU 29 H LEU 29 12.814 -8.972 0.269 240 HA LEU 29 HA LEU 29 14.194 -8.483 2.745 241 1HB LEU 29 2HB LEU 29 11.901 -7.630 2.235 242 2HB LEU 29 1HB LEU 29 11.318 -9.280 2.323 243 HG LEU 29 HG LEU 29 10.982 -7.788 4.372 244 1HD1 LEU 29 1HD1 LEU 29 10.655 -9.685 5.482 245 2HD1 LEU 29 2HD1 LEU 29 12.372 -10.091 5.452 246 3HD1 LEU 29 3HD1 LEU 29 11.342 -10.511 4.082 247 1HD2 LEU 29 1HD2 LEU 29 13.858 -8.493 4.909 248 2HD2 LEU 29 2HD2 LEU 29 12.786 -7.478 5.874 249 3HD2 LEU 29 3HD2 LEU 29 13.348 -6.919 4.298 250 H GLU 30 H GLU 30 13.348 -11.231 0.923 251 HA GLU 30 HA GLU 30 14.408 -12.954 3.002 252 1HB GLU 30 2HB GLU 30 11.972 -12.921 3.427 253 2HB GLU 30 1HB GLU 30 11.691 -13.477 1.782 254 1HG GLU 30 2HG GLU 30 13.490 -15.304 2.881 255 2HG GLU 30 1HG GLU 30 12.310 -14.984 4.151 256 H LYS 31 H LYS 31 15.477 -12.142 0.566 257 HA LYS 31 HA LYS 31 16.325 -12.851 -1.426 258 1HB LYS 31 2HB LYS 31 17.691 -14.725 -1.226 259 2HB LYS 31 1HB LYS 31 17.480 -14.213 0.440 260 1HG LYS 31 2HG LYS 31 15.407 -16.036 -0.073 261 2HG LYS 31 1HG LYS 31 16.863 -16.729 -0.784 262 1HD LYS 31 2HD LYS 31 17.786 -15.813 1.618 263 2HD LYS 31 1HD LYS 31 16.147 -16.323 2.027 264 1HE LYS 31 2HE LYS 31 17.554 -18.202 2.371 265 2HE LYS 31 1HE LYS 31 16.655 -18.504 0.885 266 1HZ LYS 31 1HZ LYS 31 18.759 -19.055 0.241 267 2HZ LYS 31 2HZ LYS 31 19.505 -17.914 1.244 268 3HZ LYS 31 3HZ LYS 31 18.754 -17.418 -0.189 269 H LYS 32 H LYS 32 13.567 -12.866 -1.395 270 HA LYS 32 HA LYS 32 12.244 -15.143 -2.223 271 1HB LYS 32 2HB LYS 32 11.183 -12.939 -1.781 272 2HB LYS 32 1HB LYS 32 11.807 -12.360 -3.319 273 1HG LYS 32 2HG LYS 32 10.261 -14.848 -3.480 274 2HG LYS 32 1HG LYS 32 9.348 -13.433 -2.953 275 1HD LYS 32 2HD LYS 32 10.518 -12.273 -4.975 276 2HD LYS 32 1HD LYS 32 10.758 -13.927 -5.542 277 1HE LYS 32 2HE LYS 32 8.732 -13.120 -6.507 278 2HE LYS 32 1HE LYS 32 8.301 -14.292 -5.263 279 1HZ LYS 32 1HZ LYS 32 7.814 -11.431 -5.361 280 2HZ LYS 32 2HZ LYS 32 8.259 -12.044 -3.849 281 3HZ LYS 32 3HZ LYS 32 6.901 -12.663 -4.646 282 H LYS 33 H LYS 33 14.568 -13.250 -3.967 283 HA LYS 33 HA LYS 33 15.586 -13.533 -5.978 284 1HB LYS 33 2HB LYS 33 15.901 -15.839 -5.249 285 2HB LYS 33 1HB LYS 33 14.298 -16.265 -5.831 286 1HG LYS 33 2HG LYS 33 16.002 -17.020 -7.375 287 2HG LYS 33 1HG LYS 33 14.998 -15.776 -8.121 288 1HD LYS 33 2HD LYS 33 17.104 -14.400 -6.893 289 2HD LYS 33 1HD LYS 33 17.844 -15.805 -7.664 290 1HE LYS 33 2HE LYS 33 16.267 -15.060 -9.662 291 2HE LYS 33 1HE LYS 33 16.425 -13.492 -8.873 292 1HZ LYS 33 1HZ LYS 33 18.205 -13.456 -10.280 293 2HZ LYS 33 2HZ LYS 33 18.472 -15.124 -10.196 294 3HZ LYS 33 3HZ LYS 33 18.945 -14.127 -8.914 295 H LEU 34 H LEU 34 15.019 -12.540 -7.782 296 HA LEU 34 HA LEU 34 12.718 -13.366 -9.310 297 1HB LEU 34 2HB LEU 34 11.936 -10.879 -9.362 298 2HB LEU 34 1HB LEU 34 11.410 -11.941 -8.072 299 HG LEU 34 HG LEU 34 12.102 -9.614 -7.380 300 1HD1 LEU 34 1HD1 LEU 34 13.917 -11.403 -5.914 301 2HD1 LEU 34 2HD1 LEU 34 12.250 -11.959 -6.057 302 3HD1 LEU 34 3HD1 LEU 34 12.597 -10.390 -5.331 303 1HD2 LEU 34 1HD2 LEU 34 14.921 -10.593 -7.657 304 2HD2 LEU 34 2HD2 LEU 34 14.335 -8.956 -7.365 305 3HD2 LEU 34 3HD2 LEU 34 14.134 -9.695 -8.953 306 H SER 35 H SER 35 12.734 -12.577 -11.444 307 HA SER 35 HA SER 35 15.336 -11.503 -12.257 308 1HB SER 35 2HB SER 35 14.919 -13.508 -13.417 309 2HB SER 35 1HB SER 35 13.228 -13.098 -13.699 310 HG SER 35 HG SER 35 14.192 -12.670 -15.598 311 H ASP 36 H ASP 36 12.244 -11.277 -13.973 312 HA ASP 36 HA ASP 36 12.262 -8.370 -13.668 313 1HB ASP 36 2HB ASP 36 11.988 -8.034 -16.095 314 2HB ASP 36 1HB ASP 36 13.541 -8.769 -15.709 315 H ASP 37 H ASP 37 10.568 -10.831 -12.959 316 HA ASP 37 HA ASP 37 8.059 -10.054 -14.261 317 1HB ASP 37 2HB ASP 37 9.116 -12.548 -13.129 318 2HB ASP 37 1HB ASP 37 7.445 -12.217 -12.685 319 H ASP 38 H ASP 38 9.770 -9.776 -11.309 320 HA ASP 38 HA ASP 38 7.723 -9.639 -9.427 321 1HB ASP 38 2HB ASP 38 10.439 -9.321 -9.368 322 2HB ASP 38 1HB ASP 38 9.888 -7.678 -9.057 323 H GLU 39 H GLU 39 5.924 -8.593 -10.330 324 HA GLU 39 HA GLU 39 6.211 -5.749 -10.966 325 1HB GLU 39 2HB GLU 39 4.835 -7.655 -12.284 326 2HB GLU 39 1HB GLU 39 3.573 -7.079 -11.204 327 1HG GLU 39 2HG GLU 39 3.677 -4.895 -12.082 328 2HG GLU 39 1HG GLU 39 5.192 -5.226 -12.919 329 H ILE 40 H ILE 40 5.770 -4.273 -9.478 330 HA ILE 40 HA ILE 40 3.918 -4.987 -7.296 331 HB ILE 40 HB ILE 40 6.099 -2.937 -7.010 332 1HG1 ILE 40 2HG1 ILE 40 7.182 -5.058 -7.598 333 2HG1 ILE 40 1HG1 ILE 40 7.471 -4.656 -5.908 334 1HG2 ILE 40 1HG2 ILE 40 4.116 -4.248 -5.253 335 2HG2 ILE 40 2HG2 ILE 40 4.758 -2.606 -5.216 336 3HG2 ILE 40 3HG2 ILE 40 5.710 -3.940 -4.564 337 1HD1 ILE 40 1HD1 ILE 40 5.852 -6.262 -5.190 338 2HD1 ILE 40 2HD1 ILE 40 6.968 -7.044 -6.310 339 3HD1 ILE 40 3HD1 ILE 40 5.358 -6.574 -6.854 340 H ALA 41 H ALA 41 2.539 -3.354 -6.504 341 HA ALA 41 HA ALA 41 2.447 -0.800 -7.881 342 1HB ALA 41 1HB ALA 41 1.172 -2.414 -9.317 343 2HB ALA 41 2HB ALA 41 0.243 -1.026 -8.752 344 3HB ALA 41 3HB ALA 41 0.033 -2.599 -7.983 345 H ILE 42 H ILE 42 2.290 0.585 -6.250 346 HA ILE 42 HA ILE 42 0.773 -0.171 -3.860 347 HB ILE 42 HB ILE 42 2.607 2.196 -4.263 348 1HG1 ILE 42 2HG1 ILE 42 3.286 -0.147 -2.537 349 2HG1 ILE 42 1HG1 ILE 42 3.501 -0.297 -4.279 350 1HG2 ILE 42 1HG2 ILE 42 1.438 2.901 -2.463 351 2HG2 ILE 42 2HG2 ILE 42 2.520 1.804 -1.605 352 3HG2 ILE 42 3HG2 ILE 42 0.895 1.276 -2.043 353 1HD1 ILE 42 1HD1 ILE 42 5.546 0.493 -3.808 354 2HD1 ILE 42 2HD1 ILE 42 5.024 1.257 -2.307 355 3HD1 ILE 42 3HD1 ILE 42 4.729 2.055 -3.851 356 H ILE 43 H ILE 43 -1.291 0.398 -3.848 357 HA ILE 43 HA ILE 43 -2.095 2.881 -5.203 358 HB ILE 43 HB ILE 43 -3.896 0.650 -4.259 359 1HG1 ILE 43 2HG1 ILE 43 -2.970 1.157 -7.089 360 2HG1 ILE 43 1HG1 ILE 43 -2.204 -0.020 -6.028 361 1HG2 ILE 43 1HG2 ILE 43 -4.819 2.985 -4.606 362 2HG2 ILE 43 2HG2 ILE 43 -5.601 1.689 -5.512 363 3HG2 ILE 43 3HG2 ILE 43 -4.460 2.766 -6.318 364 1HD1 ILE 43 1HD1 ILE 43 -3.648 -1.467 -6.902 365 2HD1 ILE 43 2HD1 ILE 43 -4.684 -0.189 -7.536 366 3HD1 ILE 43 3HD1 ILE 43 -4.846 -0.704 -5.857 367 H SER 44 H SER 44 -2.951 4.545 -4.088 368 HA SER 44 HA SER 44 -3.985 4.170 -1.409 369 1HB SER 44 2HB SER 44 -2.281 6.291 -0.941 370 2HB SER 44 1HB SER 44 -2.021 4.632 -0.410 371 HG SER 44 HG SER 44 -0.586 4.331 -1.971 372 H ILE 45 H ILE 45 -5.697 5.436 -1.163 373 HA ILE 45 HA ILE 45 -6.253 7.518 -3.089 374 HB ILE 45 HB ILE 45 -7.896 6.823 -0.655 375 1HG1 ILE 45 2HG1 ILE 45 -9.198 5.560 -2.632 376 2HG1 ILE 45 1HG1 ILE 45 -7.556 5.401 -3.245 377 1HG2 ILE 45 1HG2 ILE 45 -8.254 8.518 -3.041 378 2HG2 ILE 45 2HG2 ILE 45 -8.926 8.680 -1.418 379 3HG2 ILE 45 3HG2 ILE 45 -9.646 7.549 -2.562 380 1HD1 ILE 45 1HD1 ILE 45 -7.442 4.707 -0.536 381 2HD1 ILE 45 2HD1 ILE 45 -7.302 3.642 -1.935 382 3HD1 ILE 45 3HD1 ILE 45 -8.877 3.920 -1.190 383 H LYS 46 H LYS 46 -5.172 7.237 0.200 384 HA LYS 46 HA LYS 46 -4.906 10.163 0.336 385 1HB LYS 46 2HB LYS 46 -5.299 8.672 2.880 386 2HB LYS 46 1HB LYS 46 -5.770 10.310 2.457 387 1HG LYS 46 2HG LYS 46 -7.150 7.885 1.342 388 2HG LYS 46 1HG LYS 46 -7.641 8.668 2.845 389 1HD LYS 46 2HD LYS 46 -7.559 10.817 1.260 390 2HD LYS 46 1HD LYS 46 -7.908 9.589 0.043 391 1HE LYS 46 2HE LYS 46 -9.522 10.341 2.462 392 2HE LYS 46 1HE LYS 46 -10.008 10.370 0.768 393 1HZ LYS 46 1HZ LYS 46 -10.982 8.490 1.911 394 2HZ LYS 46 2HZ LYS 46 -9.454 7.936 2.378 395 3HZ LYS 46 3HZ LYS 46 -9.885 7.947 0.743 396 H GLY 47 H GLY 47 -3.439 10.505 2.536 397 1HA GLY 47 2HA GLY 47 -1.076 8.780 2.093 398 2HA GLY 47 1HA GLY 47 -0.961 10.508 2.385 399 H THR 48 H THR 48 -3.190 10.221 4.429 400 HA THR 48 HA THR 48 -1.446 9.336 6.616 401 HB THR 48 HB THR 48 -2.168 11.642 6.793 402 HG1 THR 48 HG1 THR 48 -3.669 10.085 8.622 403 1HG2 THR 48 1HG2 THR 48 -4.801 10.539 6.119 404 2HG2 THR 48 2HG2 THR 48 -4.119 12.137 5.814 405 3HG2 THR 48 3HG2 THR 48 -4.788 11.751 7.400 406 H GLN 49 H GLN 49 -4.497 8.739 5.063 407 HA GLN 49 HA GLN 49 -5.244 6.831 7.164 408 1HB GLN 49 2HB GLN 49 -6.742 8.481 5.244 409 2HB GLN 49 1HB GLN 49 -7.347 6.840 5.418 410 1HG GLN 49 2HG GLN 49 -8.560 7.946 7.012 411 2HG GLN 49 1HG GLN 49 -7.203 7.345 7.964 412 1HE2 GLN 49 1HE2 GLN 49 -7.895 10.152 5.895 413 2HE2 GLN 49 2HE2 GLN 49 -7.282 11.330 7.000 414 H SER 50 H SER 50 -5.733 6.881 3.634 415 HA SER 50 HA SER 50 -5.469 4.029 3.493 416 1HB SER 50 2HB SER 50 -6.659 5.988 1.909 417 2HB SER 50 1HB SER 50 -5.328 5.385 0.923 418 HG SER 50 HG SER 50 -6.148 3.292 1.192 419 H ASN 51 H ASN 51 -3.828 2.821 2.662 420 HA ASN 51 HA ASN 51 -1.629 3.733 1.210 421 1HB ASN 51 2HB ASN 51 -1.369 4.769 3.661 422 2HB ASN 51 1HB ASN 51 -0.659 3.188 3.970 423 1HD2 ASN 51 1HD2 ASN 51 1.160 4.784 4.394 424 2HD2 ASN 51 2HD2 ASN 51 2.212 5.109 3.064 425 H HIS 52 H HIS 52 -2.509 1.701 0.321 426 HA HIS 52 HA HIS 52 -1.386 -0.658 1.687 427 1HB HIS 52 2HB HIS 52 -3.131 -1.979 0.493 428 2HB HIS 52 1HB HIS 52 -3.791 -0.818 1.640 429 HD1 HIS 52 HD1 HIS 52 -4.798 1.418 0.551 430 HD2 HIS 52 HD2 HIS 52 -4.040 -1.714 -2.072 431 HE1 HIS 52 HE1 HIS 52 -6.088 1.963 -1.537 432 HE2 HIS 52 HE2 HIS 52 -5.680 0.013 -3.080 433 H VAL 53 H VAL 53 -0.523 -2.337 0.366 434 HA VAL 53 HA VAL 53 0.230 -1.511 -2.357 435 HB VAL 53 HB VAL 53 2.155 -1.117 -0.914 436 1HG1 VAL 53 1HG1 VAL 53 2.249 -4.045 -0.269 437 2HG1 VAL 53 2HG1 VAL 53 1.394 -2.899 0.764 438 3HG1 VAL 53 3HG1 VAL 53 3.126 -2.713 0.487 439 1HG2 VAL 53 1HG2 VAL 53 2.505 -1.950 -3.213 440 2HG2 VAL 53 2HG2 VAL 53 2.571 -3.596 -2.583 441 3HG2 VAL 53 3HG2 VAL 53 3.801 -2.421 -2.113 442 H LEU 54 H LEU 54 -0.378 -2.972 -3.810 443 HA LEU 54 HA LEU 54 -0.958 -5.703 -2.917 444 1HB LEU 54 2HB LEU 54 -2.003 -3.926 -5.033 445 2HB LEU 54 1HB LEU 54 -1.878 -5.622 -5.460 446 HG LEU 54 HG LEU 54 -3.383 -4.565 -3.067 447 1HD1 LEU 54 1HD1 LEU 54 -4.708 -5.793 -5.430 448 2HD1 LEU 54 2HD1 LEU 54 -4.202 -4.106 -5.523 449 3HD1 LEU 54 3HD1 LEU 54 -5.327 -4.621 -4.268 450 1HD2 LEU 54 1HD2 LEU 54 -2.352 -7.049 -3.383 451 2HD2 LEU 54 2HD2 LEU 54 -3.930 -7.243 -4.145 452 3HD2 LEU 54 3HD2 LEU 54 -3.820 -6.690 -2.474 453 H PHE 55 H PHE 55 -0.308 -7.512 -4.214 454 HA PHE 55 HA PHE 55 2.184 -7.007 -5.700 455 1HB PHE 55 2HB PHE 55 2.582 -8.257 -3.648 456 2HB PHE 55 1HB PHE 55 1.358 -9.438 -4.100 457 HD1 PHE 55 HD1 PHE 55 4.327 -7.894 -5.760 458 HD2 PHE 55 HD2 PHE 55 2.230 -11.452 -4.738 459 HE1 PHE 55 HE1 PHE 55 6.048 -9.232 -6.903 460 HE2 PHE 55 HE2 PHE 55 3.947 -12.796 -5.877 461 HZ PHE 55 HZ PHE 55 5.860 -11.686 -6.961 462 H LEU 56 H LEU 56 2.475 -7.921 -7.687 463 HA LEU 56 HA LEU 56 0.485 -9.789 -8.711 464 1HB LEU 56 2HB LEU 56 0.489 -8.281 -10.858 465 2HB LEU 56 1HB LEU 56 -0.623 -7.971 -9.541 466 HG LEU 56 HG LEU 56 1.827 -6.509 -9.122 467 1HD1 LEU 56 1HD1 LEU 56 1.675 -6.787 -11.717 468 2HD1 LEU 56 2HD1 LEU 56 2.045 -5.216 -11.005 469 3HD1 LEU 56 3HD1 LEU 56 0.411 -5.565 -11.569 470 1HD2 LEU 56 1HD2 LEU 56 0.397 -4.819 -8.550 471 2HD2 LEU 56 2HD2 LEU 56 -0.671 -6.208 -8.346 472 3HD2 LEU 56 3HD2 LEU 56 -0.768 -5.226 -9.809 473 H SER 57 H SER 57 1.360 -11.279 -10.018 474 HA SER 57 HA SER 57 4.200 -11.081 -10.602 475 1HB SER 57 2HB SER 57 3.366 -13.173 -9.656 476 2HB SER 57 1HB SER 57 2.244 -13.357 -11.005 477 HG SER 57 HG SER 57 4.285 -14.550 -11.152 478 H SER 58 H SER 58 1.244 -11.863 -12.441 479 HA SER 58 HA SER 58 2.526 -10.680 -14.812 480 1HB SER 58 2HB SER 58 2.108 -13.342 -14.595 481 2HB SER 58 1HB SER 58 0.557 -12.847 -15.271 482 HG SER 58 HG SER 58 3.128 -12.328 -16.356 483 H TYR 59 H TYR 59 1.164 -9.588 -16.256 484 HA TYR 59 HA TYR 59 -1.625 -9.221 -15.428 485 1HB TYR 59 2HB TYR 59 0.043 -7.389 -14.589 486 2HB TYR 59 1HB TYR 59 -0.012 -6.832 -16.258 487 HD1 TYR 59 HD1 TYR 59 -1.874 -5.614 -17.081 488 HD2 TYR 59 HD2 TYR 59 -2.065 -7.432 -13.238 489 HE1 TYR 59 HE1 TYR 59 -3.939 -4.367 -16.598 490 HE2 TYR 59 HE2 TYR 59 -4.132 -6.190 -12.747 491 HH TYR 59 HH TYR 59 -5.106 -3.561 -14.323 492 H ASN 60 H ASN 60 -3.049 -8.938 -17.075 493 HA ASN 60 HA ASN 60 -2.035 -8.464 -19.775 494 1HB ASN 60 2HB ASN 60 -3.343 -10.352 -20.677 495 2HB ASN 60 1HB ASN 60 -2.098 -10.900 -19.558 496 1HD2 ASN 60 1HD2 ASN 60 -5.477 -10.606 -20.161 497 2HD2 ASN 60 2HD2 ASN 60 -6.017 -11.529 -18.803 498 H SER 61 H SER 61 -4.286 -8.747 -21.236 499 HA SER 61 HA SER 61 -6.057 -6.723 -20.059 500 1HB SER 61 2HB SER 61 -6.800 -6.399 -22.462 501 2HB SER 61 1HB SER 61 -5.125 -5.964 -22.126 502 HG SER 61 HG SER 61 -4.984 -7.196 -23.904 503 H VAL 62 H VAL 62 -7.792 -7.585 -19.114 504 HA VAL 62 HA VAL 62 -9.487 -9.369 -20.648 505 HB VAL 62 HB VAL 62 -9.757 -10.816 -18.499 506 1HG1 VAL 62 1HG1 VAL 62 -7.409 -11.061 -20.372 507 2HG1 VAL 62 2HG1 VAL 62 -9.026 -11.726 -20.600 508 3HG1 VAL 62 3HG1 VAL 62 -7.987 -12.350 -19.318 509 1HG2 VAL 62 1HG2 VAL 62 -6.962 -9.737 -18.139 510 2HG2 VAL 62 2HG2 VAL 62 -7.639 -11.116 -17.273 511 3HG2 VAL 62 3HG2 VAL 62 -8.327 -9.508 -17.047 512 H ASP 63 H ASP 63 -9.459 -6.613 -19.329 513 HA ASP 63 HA ASP 63 -11.035 -5.217 -18.472 514 1HB ASP 63 2HB ASP 63 -12.899 -7.596 -18.420 515 2HB ASP 63 1HB ASP 63 -13.345 -5.892 -18.403 516 H GLU 64 H GLU 64 -11.494 -8.392 -16.889 517 HA GLU 64 HA GLU 64 -12.172 -7.399 -14.375 518 1HB GLU 64 2HB GLU 64 -11.485 -9.640 -13.528 519 2HB GLU 64 1HB GLU 64 -12.562 -9.712 -14.915 520 1HG GLU 64 2HG GLU 64 -10.640 -10.124 -16.376 521 2HG GLU 64 1HG GLU 64 -9.576 -10.082 -14.971 522 H ILE 65 H ILE 65 -9.027 -8.212 -15.757 523 HA ILE 65 HA ILE 65 -7.413 -7.962 -13.529 524 HB ILE 65 HB ILE 65 -5.641 -7.119 -15.156 525 1HG1 ILE 65 2HG1 ILE 65 -6.557 -7.788 -17.594 526 2HG1 ILE 65 1HG1 ILE 65 -8.045 -7.158 -16.902 527 1HG2 ILE 65 1HG2 ILE 65 -7.125 -9.699 -15.421 528 2HG2 ILE 65 2HG2 ILE 65 -5.551 -9.382 -14.691 529 3HG2 ILE 65 3HG2 ILE 65 -5.731 -9.361 -16.445 530 1HD1 ILE 65 1HD1 ILE 65 -7.374 -5.104 -17.329 531 2HD1 ILE 65 2HD1 ILE 65 -5.876 -5.734 -18.012 532 3HD1 ILE 65 3HD1 ILE 65 -5.964 -5.338 -16.299 533 H ARG 66 H ARG 66 -8.531 -5.404 -15.722 534 HA ARG 66 HA ARG 66 -7.246 -3.341 -14.165 535 1HB ARG 66 2HB ARG 66 -8.234 -1.792 -15.768 536 2HB ARG 66 1HB ARG 66 -7.455 -3.128 -16.606 537 1HG ARG 66 2HG ARG 66 -9.572 -4.159 -17.054 538 2HG ARG 66 1HG ARG 66 -10.411 -2.964 -16.063 539 1HD ARG 66 2HD ARG 66 -9.073 -2.595 -18.726 540 2HD ARG 66 1HD ARG 66 -10.745 -2.260 -18.278 541 HE ARG 66 HE ARG 66 -8.524 -0.500 -18.021 542 1HH1 ARG 66 2HH1 ARG 66 -11.552 -1.398 -16.534 543 2HH1 ARG 66 1HH1 ARG 66 -11.800 0.155 -15.810 544 1HH2 ARG 66 1HH2 ARG 66 -8.850 1.544 -17.069 545 2HH2 ARG 66 2HH2 ARG 66 -10.267 1.826 -16.114 546 H LYS 67 H LYS 67 -10.486 -4.644 -14.581 547 HA LYS 67 HA LYS 67 -11.930 -2.657 -13.240 548 1HB LYS 67 2HB LYS 67 -12.996 -4.427 -14.560 549 2HB LYS 67 1HB LYS 67 -12.485 -5.627 -13.379 550 1HG LYS 67 2HG LYS 67 -14.085 -5.039 -11.881 551 2HG LYS 67 1HG LYS 67 -14.092 -3.348 -12.383 552 1HD LYS 67 2HD LYS 67 -15.654 -3.693 -13.982 553 2HD LYS 67 1HD LYS 67 -15.030 -5.292 -14.395 554 1HE LYS 67 2HE LYS 67 -16.739 -4.577 -12.015 555 2HE LYS 67 1HE LYS 67 -17.239 -5.498 -13.432 556 1HZ LYS 67 1HZ LYS 67 -15.698 -6.341 -11.125 557 2HZ LYS 67 2HZ LYS 67 -15.145 -6.926 -12.612 558 3HZ LYS 67 3HZ LYS 67 -16.734 -7.233 -12.122 559 H GLU 68 H GLU 68 -10.101 -5.404 -12.031 560 HA GLU 68 HA GLU 68 -11.011 -5.135 -9.328 561 1HB GLU 68 2HB GLU 68 -9.858 -7.161 -10.652 562 2HB GLU 68 1HB GLU 68 -8.422 -6.474 -9.905 563 1HG GLU 68 2HG GLU 68 -10.191 -6.560 -7.817 564 2HG GLU 68 1HG GLU 68 -10.598 -8.013 -8.729 565 H LEU 69 H LEU 69 -8.092 -4.193 -11.104 566 HA LEU 69 HA LEU 69 -6.663 -3.143 -8.930 567 1HB LEU 69 2HB LEU 69 -6.031 -3.586 -11.469 568 2HB LEU 69 1HB LEU 69 -6.417 -1.882 -11.616 569 HG LEU 69 HG LEU 69 -4.753 -1.454 -9.761 570 1HD1 LEU 69 1HD1 LEU 69 -3.643 -4.156 -10.402 571 2HD1 LEU 69 2HD1 LEU 69 -4.823 -3.953 -9.107 572 3HD1 LEU 69 3HD1 LEU 69 -3.284 -3.093 -9.042 573 1HD2 LEU 69 1HD2 LEU 69 -4.428 -1.534 -12.428 574 2HD2 LEU 69 2HD2 LEU 69 -3.218 -2.718 -11.938 575 3HD2 LEU 69 3HD2 LEU 69 -3.150 -1.074 -11.304 576 H GLU 70 H GLU 70 -8.666 -1.456 -11.349 577 HA GLU 70 HA GLU 70 -8.480 1.099 -10.253 578 1HB GLU 70 2HB GLU 70 -9.717 0.001 -12.434 579 2HB GLU 70 1HB GLU 70 -11.092 0.445 -11.433 580 1HG GLU 70 2HG GLU 70 -10.585 2.703 -11.511 581 2HG GLU 70 1HG GLU 70 -8.905 2.411 -11.957 582 H GLU 71 H GLU 71 -10.616 -1.579 -9.471 583 HA GLU 71 HA GLU 71 -12.244 -0.038 -7.670 584 1HB GLU 71 2HB GLU 71 -12.097 -2.881 -8.535 585 2HB GLU 71 1HB GLU 71 -12.855 -2.546 -6.984 586 1HG GLU 71 2HG GLU 71 -14.007 -0.688 -8.644 587 2HG GLU 71 1HG GLU 71 -13.837 -2.101 -9.684 588 H ALA 72 H ALA 72 -9.374 -2.000 -7.451 589 HA ALA 72 HA ALA 72 -9.378 -2.550 -4.705 590 1HB ALA 72 1HB ALA 72 -7.031 -2.993 -4.930 591 2HB ALA 72 2HB ALA 72 -6.951 -2.055 -6.422 592 3HB ALA 72 3HB ALA 72 -7.850 -3.571 -6.380 593 H GLY 73 H GLY 73 -8.562 0.338 -6.488 594 1HA GLY 73 2HA GLY 73 -7.393 1.613 -4.141 595 2HA GLY 73 1HA GLY 73 -7.514 2.306 -5.751 596 H ALA 74 H ALA 74 -10.373 1.669 -5.982 597 HA ALA 74 HA ALA 74 -11.501 3.476 -3.956 598 1HB ALA 74 1HB ALA 74 -12.567 4.835 -5.524 599 2HB ALA 74 2HB ALA 74 -12.306 3.685 -6.835 600 3HB ALA 74 3HB ALA 74 -10.949 4.606 -6.186 601 H LYS 75 H LYS 75 -11.830 0.912 -3.553 602 HA LYS 75 HA LYS 75 -14.006 -0.302 -4.913 603 1HB LYS 75 2HB LYS 75 -12.099 -1.170 -3.146 604 2HB LYS 75 1HB LYS 75 -13.545 -1.178 -2.147 605 1HG LYS 75 2HG LYS 75 -14.350 -2.355 -4.526 606 2HG LYS 75 1HG LYS 75 -12.731 -2.995 -4.240 607 1HD LYS 75 2HD LYS 75 -13.499 -3.498 -1.877 608 2HD LYS 75 1HD LYS 75 -15.136 -3.140 -2.434 609 1HE LYS 75 2HE LYS 75 -14.218 -4.869 -4.353 610 2HE LYS 75 1HE LYS 75 -13.467 -5.497 -2.886 611 1HZ LYS 75 1HZ LYS 75 -15.430 -6.549 -2.696 612 2HZ LYS 75 2HZ LYS 75 -16.266 -5.433 -3.655 613 3HZ LYS 75 3HZ LYS 75 -15.949 -5.082 -2.031 614 H ILE 76 H ILE 76 -15.717 -1.241 -3.015 615 HA ILE 76 HA ILE 76 -17.345 1.099 -2.516 616 HB ILE 76 HB ILE 76 -17.998 -1.770 -1.848 617 1HG1 ILE 76 2HG1 ILE 76 -19.264 -0.672 -4.234 618 2HG1 ILE 76 1HG1 ILE 76 -17.512 -0.746 -4.392 619 1HG2 ILE 76 1HG2 ILE 76 -20.341 -0.585 -2.433 620 2HG2 ILE 76 2HG2 ILE 76 -19.455 0.790 -1.774 621 3HG2 ILE 76 3HG2 ILE 76 -19.666 -0.668 -0.805 622 1HD1 ILE 76 1HD1 ILE 76 -18.120 -3.196 -3.334 623 2HD1 ILE 76 2HD1 ILE 76 -17.836 -2.846 -5.039 624 3HD1 ILE 76 3HD1 ILE 76 -19.483 -2.880 -4.407 625 H ASN 77 H ASN 77 -16.386 -1.694 -0.506 626 HA ASN 77 HA ASN 77 -16.582 0.048 1.854 627 1HB ASN 77 2HB ASN 77 -16.517 -2.974 1.776 628 2HB ASN 77 1HB ASN 77 -16.870 -1.959 3.172 629 1HD2 ASN 77 1HD2 ASN 77 -18.867 -0.986 3.353 630 2HD2 ASN 77 2HD2 ASN 77 -20.211 -1.424 2.359 631 H HIS 78 H HIS 78 -14.404 -1.886 -0.029 632 HA HIS 78 HA HIS 78 -12.147 -2.158 0.039 633 1HB HIS 78 2HB HIS 78 -12.489 0.406 0.764 634 2HB HIS 78 1HB HIS 78 -11.755 -0.206 2.243 635 HD1 HIS 78 HD1 HIS 78 -9.438 0.708 2.090 636 HD2 HIS 78 HD2 HIS 78 -10.638 -1.145 -1.430 637 HE1 HIS 78 HE1 HIS 78 -7.393 0.657 0.628 638 HE2 HIS 78 HE2 HIS 78 -8.160 -0.409 -1.523 639 H THR 79 H THR 79 -10.256 -2.368 1.850 640 HA THR 79 HA THR 79 -9.429 -3.935 3.294 641 HB THR 79 HB THR 79 -9.857 -2.215 4.874 642 HG1 THR 79 HG1 THR 79 -9.755 -3.502 6.520 643 1HG2 THR 79 1HG2 THR 79 -12.104 -1.569 4.351 644 2HG2 THR 79 2HG2 THR 79 -12.004 -1.987 6.062 645 3HG2 THR 79 3HG2 THR 79 -12.724 -3.119 4.918 646 H THR 80 H THR 80 -9.865 -5.895 2.343 647 HA THR 80 HA THR 80 -12.225 -7.314 3.390 648 HB THR 80 HB THR 80 -12.743 -7.202 1.137 649 HG1 THR 80 HG1 THR 80 -12.868 -9.295 1.164 650 1HG2 THR 80 1HG2 THR 80 -9.951 -7.815 0.244 651 2HG2 THR 80 2HG2 THR 80 -10.515 -6.164 0.500 652 3HG2 THR 80 3HG2 THR 80 -11.303 -7.189 -0.698 653 H LEU 81 H LEU 81 -9.024 -7.898 1.947 654 HA LEU 81 HA LEU 81 -7.300 -9.237 2.553 655 1HB LEU 81 2HB LEU 81 -8.858 -9.138 5.075 656 2HB LEU 81 1HB LEU 81 -7.685 -10.431 4.915 657 HG LEU 81 HG LEU 81 -7.115 -7.473 4.743 658 1HD1 LEU 81 1HD1 LEU 81 -5.947 -7.751 6.805 659 2HD1 LEU 81 2HD1 LEU 81 -6.192 -9.497 6.773 660 3HD1 LEU 81 3HD1 LEU 81 -7.567 -8.417 7.009 661 1HD2 LEU 81 1HD2 LEU 81 -4.697 -8.552 4.887 662 2HD2 LEU 81 2HD2 LEU 81 -5.499 -8.252 3.345 663 3HD2 LEU 81 3HD2 LEU 81 -5.514 -9.870 4.046 664 H LYS 82 H LYS 82 -10.490 -10.630 3.246 665 HA LYS 82 HA LYS 82 -9.836 -13.316 3.139 666 1HB LYS 82 2HB LYS 82 -12.214 -13.641 2.328 667 2HB LYS 82 1HB LYS 82 -12.027 -12.741 3.827 668 1HG LYS 82 2HG LYS 82 -12.371 -10.653 2.657 669 2HG LYS 82 1HG LYS 82 -12.458 -11.506 1.115 670 1HD LYS 82 2HD LYS 82 -14.692 -11.011 1.841 671 2HD LYS 82 1HD LYS 82 -14.429 -12.750 1.983 672 1HE LYS 82 2HE LYS 82 -15.561 -12.035 3.954 673 2HE LYS 82 1HE LYS 82 -13.891 -12.382 4.400 674 1HZ LYS 82 1HZ LYS 82 -13.752 -9.779 3.805 675 2HZ LYS 82 2HZ LYS 82 -14.017 -10.378 5.364 676 3HZ LYS 82 3HZ LYS 82 -15.325 -9.869 4.421 677 H ILE 83 H ILE 83 -10.644 -11.138 0.451 678 HA ILE 83 HA ILE 83 -10.584 -13.078 -1.580 679 HB ILE 83 HB ILE 83 -10.013 -11.109 -3.097 680 1HG1 ILE 83 2HG1 ILE 83 -10.581 -9.470 -0.631 681 2HG1 ILE 83 1HG1 ILE 83 -8.941 -9.830 -1.157 682 1HG2 ILE 83 1HG2 ILE 83 -12.282 -11.877 -2.801 683 2HG2 ILE 83 2HG2 ILE 83 -12.257 -10.114 -2.841 684 3HG2 ILE 83 3HG2 ILE 83 -12.430 -10.959 -1.303 685 1HD1 ILE 83 1HD1 ILE 83 -11.019 -8.372 -2.771 686 2HD1 ILE 83 2HD1 ILE 83 -9.361 -8.706 -3.270 687 3HD1 ILE 83 3HD1 ILE 83 -9.672 -7.633 -1.905 688 H LEU 84 H LEU 84 -8.049 -11.214 -0.032 689 HA LEU 84 HA LEU 84 -5.979 -11.848 -1.855 690 1HB LEU 84 2HB LEU 84 -6.213 -10.209 0.324 691 2HB LEU 84 1HB LEU 84 -5.199 -11.490 0.959 692 HG LEU 84 HG LEU 84 -3.766 -11.089 -1.172 693 1HD1 LEU 84 1HD1 LEU 84 -5.453 -8.608 -1.046 694 2HD1 LEU 84 2HD1 LEU 84 -5.132 -9.650 -2.432 695 3HD1 LEU 84 3HD1 LEU 84 -3.851 -8.625 -1.783 696 1HD2 LEU 84 1HD2 LEU 84 -3.243 -10.555 1.261 697 2HD2 LEU 84 2HD2 LEU 84 -3.737 -8.904 0.888 698 3HD2 LEU 84 3HD2 LEU 84 -2.376 -9.630 0.035 699 H GLU 85 H GLU 85 -7.322 -13.465 0.952 700 HA GLU 85 HA GLU 85 -5.272 -15.415 1.217 701 1HB GLU 85 2HB GLU 85 -7.864 -14.852 2.418 702 2HB GLU 85 1HB GLU 85 -7.605 -16.577 2.196 703 1HG GLU 85 2HG GLU 85 -6.365 -16.612 4.020 704 2HG GLU 85 1HG GLU 85 -5.214 -15.523 3.248 705 H GLY 86 H GLY 86 -7.985 -15.053 -0.900 706 1HA GLY 86 2HA GLY 86 -8.133 -17.836 -1.636 707 2HA GLY 86 1HA GLY 86 -8.977 -16.504 -2.408 708 H HIS 87 H HIS 87 -6.504 -14.974 -2.868 709 HA HIS 87 HA HIS 87 -5.187 -16.700 -4.851 710 1HB HIS 87 2HB HIS 87 -5.289 -14.982 -6.533 711 2HB HIS 87 1HB HIS 87 -6.919 -15.267 -5.939 712 HD1 HIS 87 HD1 HIS 87 -7.928 -13.397 -4.360 713 HD2 HIS 87 HD2 HIS 87 -4.345 -12.415 -6.221 714 HE1 HIS 87 HE1 HIS 87 -7.710 -10.904 -4.124 715 HE2 HIS 87 HE2 HIS 87 -5.585 -10.321 -5.347 716 H LEU 88 HN LEU 88 -4.271 -15.925 -2.242 717 HA LEU 88 HA LEU 88 -1.657 -15.062 -2.915 718 1HB LEU 88 2HB LEU 88 -3.309 -12.943 -2.736 719 2HB LEU 88 1HB LEU 88 -2.852 -13.098 -1.050 720 HG LEU 88 HG LEU 88 -0.479 -13.261 -2.627 721 1HD1 LEU 88 1HD1 LEU 88 -2.113 -10.796 -3.199 722 2HD1 LEU 88 2HD1 LEU 88 -1.830 -12.102 -4.351 723 3HD1 LEU 88 3HD1 LEU 88 -0.476 -11.142 -3.755 724 1HD2 LEU 88 1HD2 LEU 88 -1.111 -10.797 -1.129 725 2HD2 LEU 88 2HD2 LEU 88 0.306 -11.843 -1.053 726 3HD2 LEU 88 3HD2 LEU 88 -1.177 -12.306 -0.219 Start of MODEL 20 1 1H LEU 1 1H LEU 1 -10.770 19.077 -0.996 2 2H LEU 1 2H LEU 1 -12.472 18.864 -1.041 3 3H LEU 1 3H LEU 1 -11.802 20.443 -1.094 4 HA LEU 1 HA LEU 1 -12.367 20.051 -3.241 5 1HB LEU 1 2HB LEU 1 -9.510 19.111 -2.943 6 2HB LEU 1 1HB LEU 1 -10.219 19.800 -4.390 7 HG LEU 1 HG LEU 1 -8.963 21.543 -3.448 8 1HD1 LEU 1 1HD1 LEU 1 -10.656 23.175 -2.636 9 2HD1 LEU 1 2HD1 LEU 1 -11.833 21.862 -2.592 10 3HD1 LEU 1 3HD1 LEU 1 -11.113 22.348 -4.125 11 1HD2 LEU 1 1HD2 LEU 1 -10.191 21.555 -0.777 12 2HD2 LEU 1 2HD2 LEU 1 -8.520 21.839 -1.265 13 3HD2 LEU 1 3HD2 LEU 1 -9.125 20.190 -1.111 14 H PHE 2 H PHE 2 -11.489 18.499 -5.216 15 HA PHE 2 HA PHE 2 -13.061 16.201 -5.066 16 1HB PHE 2 2HB PHE 2 -11.705 15.499 -7.136 17 2HB PHE 2 1HB PHE 2 -12.620 17.000 -7.229 18 HD1 PHE 2 HD1 PHE 2 -9.218 15.704 -6.464 19 HD2 PHE 2 HD2 PHE 2 -11.569 18.947 -7.900 20 HE1 PHE 2 HE1 PHE 2 -7.166 16.909 -7.090 21 HE2 PHE 2 HE2 PHE 2 -9.522 20.158 -8.530 22 HZ PHE 2 HZ PHE 2 -7.316 19.139 -8.126 23 H ILE 3 H ILE 3 -12.197 13.941 -5.535 24 HA ILE 3 HA ILE 3 -10.551 13.148 -3.340 25 HB ILE 3 HB ILE 3 -11.438 11.439 -5.664 26 1HG1 ILE 3 2HG1 ILE 3 -12.869 11.762 -3.025 27 2HG1 ILE 3 1HG1 ILE 3 -13.293 12.702 -4.453 28 1HG2 ILE 3 1HG2 ILE 3 -9.713 10.411 -4.323 29 2HG2 ILE 3 2HG2 ILE 3 -11.254 9.609 -4.019 30 3HG2 ILE 3 3HG2 ILE 3 -10.612 10.758 -2.846 31 1HD1 ILE 3 1HD1 ILE 3 -13.162 9.880 -5.044 32 2HD1 ILE 3 2HD1 ILE 3 -14.474 11.030 -5.295 33 3HD1 ILE 3 3HD1 ILE 3 -14.291 10.227 -3.736 34 H ALA 4 H ALA 4 -8.414 12.955 -3.274 35 HA ALA 4 HA ALA 4 -6.923 13.007 -5.807 36 1HB ALA 4 1HB ALA 4 -6.303 13.979 -3.052 37 2HB ALA 4 2HB ALA 4 -6.173 14.822 -4.596 38 3HB ALA 4 3HB ALA 4 -4.990 13.586 -4.163 39 H THR 5 H THR 5 -6.418 11.018 -6.460 40 HA THR 5 HA THR 5 -5.772 8.960 -4.492 41 HB THR 5 HB THR 5 -5.624 7.605 -6.769 42 HG1 THR 5 HG1 THR 5 -5.922 9.569 -8.003 43 1HG2 THR 5 1HG2 THR 5 -7.673 6.764 -6.347 44 2HG2 THR 5 2HG2 THR 5 -8.411 8.354 -6.154 45 3HG2 THR 5 3HG2 THR 5 -7.454 7.662 -4.845 46 H LEU 6 H LEU 6 -3.941 7.452 -5.099 47 HA LEU 6 HA LEU 6 -1.728 8.789 -6.458 48 1HB LEU 6 2HB LEU 6 -1.964 8.777 -3.667 49 2HB LEU 6 1HB LEU 6 -0.781 7.536 -4.029 50 HG LEU 6 HG LEU 6 0.317 9.385 -5.512 51 1HD1 LEU 6 1HD1 LEU 6 -1.816 10.843 -4.836 52 2HD1 LEU 6 2HD1 LEU 6 -0.238 11.553 -5.172 53 3HD1 LEU 6 3HD1 LEU 6 -0.744 11.278 -3.506 54 1HD2 LEU 6 1HD2 LEU 6 0.635 9.998 -2.635 55 2HD2 LEU 6 2HD2 LEU 6 1.850 9.639 -3.861 56 3HD2 LEU 6 3HD2 LEU 6 0.916 8.331 -3.135 57 H LYS 7 H LYS 7 -1.852 7.215 -8.059 58 HA LYS 7 HA LYS 7 -1.222 4.466 -7.210 59 1HB LYS 7 2HB LYS 7 -2.596 5.482 -9.701 60 2HB LYS 7 1HB LYS 7 -2.094 3.812 -9.477 61 1HG LYS 7 2HG LYS 7 -3.839 3.338 -8.165 62 2HG LYS 7 1HG LYS 7 -3.711 4.859 -7.280 63 1HD LYS 7 2HD LYS 7 -5.804 4.873 -8.420 64 2HD LYS 7 1HD LYS 7 -4.737 5.994 -9.266 65 1HE LYS 7 2HE LYS 7 -4.523 4.621 -11.099 66 2HE LYS 7 1HE LYS 7 -4.864 3.158 -10.173 67 1HZ LYS 7 1HZ LYS 7 -7.033 5.082 -10.358 68 2HZ LYS 7 2HZ LYS 7 -7.072 3.394 -10.448 69 3HZ LYS 7 3HZ LYS 7 -6.620 4.303 -11.801 70 H GLY 8 H GLY 8 0.309 3.263 -8.462 71 1HA GLY 8 2HA GLY 8 1.880 4.526 -10.495 72 2HA GLY 8 1HA GLY 8 2.714 4.497 -8.949 73 H ILE 9 H ILE 9 3.774 3.210 -11.136 74 HA ILE 9 HA ILE 9 3.309 0.366 -10.515 75 HB ILE 9 HB ILE 9 4.454 1.485 -13.075 76 1HG1 ILE 9 2HG1 ILE 9 2.206 0.601 -13.987 77 2HG1 ILE 9 1HG1 ILE 9 1.659 0.658 -12.315 78 1HG2 ILE 9 1HG2 ILE 9 5.256 -0.640 -13.074 79 2HG2 ILE 9 2HG2 ILE 9 3.649 -0.966 -13.722 80 3HG2 ILE 9 3HG2 ILE 9 3.983 -1.239 -12.012 81 1HD1 ILE 9 1HD1 ILE 9 2.900 3.079 -13.524 82 2HD1 ILE 9 2HD1 ILE 9 1.694 2.949 -12.244 83 3HD1 ILE 9 3HD1 ILE 9 1.234 2.661 -13.922 84 H PHE 10 H PHE 10 4.843 -0.375 -9.217 85 HA PHE 10 HA PHE 10 7.604 0.598 -9.556 86 1HB PHE 10 2HB PHE 10 6.013 -0.288 -7.193 87 2HB PHE 10 1HB PHE 10 7.743 -0.610 -7.187 88 HD1 PHE 10 HD1 PHE 10 6.371 2.358 -8.845 89 HD2 PHE 10 HD2 PHE 10 8.135 0.818 -5.294 90 HE1 PHE 10 HE1 PHE 10 6.792 4.652 -8.062 91 HE2 PHE 10 HE2 PHE 10 8.559 3.107 -4.505 92 HZ PHE 10 HZ PHE 10 7.887 5.028 -5.887 93 H THR 11 H THR 11 8.785 -0.768 -10.750 94 HA THR 11 HA THR 11 8.146 -3.559 -10.980 95 HB THR 11 HB THR 11 10.560 -3.411 -12.148 96 HG1 THR 11 HG1 THR 11 10.757 -1.314 -13.059 97 1HG2 THR 11 1HG2 THR 11 8.945 -2.098 -14.015 98 2HG2 THR 11 2HG2 THR 11 7.866 -3.119 -13.064 99 3HG2 THR 11 3HG2 THR 11 9.258 -3.828 -13.881 100 H LEU 12 H LEU 12 9.039 -5.259 -9.924 101 HA LEU 12 HA LEU 12 10.193 -5.065 -7.466 102 1HB LEU 12 2HB LEU 12 10.018 -7.177 -9.501 103 2HB LEU 12 1HB LEU 12 11.321 -7.389 -8.348 104 HG LEU 12 HG LEU 12 9.433 -8.594 -7.539 105 1HD1 LEU 12 1HD1 LEU 12 10.598 -6.437 -6.106 106 2HD1 LEU 12 2HD1 LEU 12 9.959 -7.958 -5.485 107 3HD1 LEU 12 3HD1 LEU 12 8.901 -6.556 -5.641 108 1HD2 LEU 12 1HD2 LEU 12 7.379 -7.001 -6.930 109 2HD2 LEU 12 2HD2 LEU 12 7.500 -7.865 -8.464 110 3HD2 LEU 12 3HD2 LEU 12 7.966 -6.166 -8.370 111 H LYS 13 H LYS 13 11.831 -4.864 -10.551 112 HA LYS 13 HA LYS 13 14.464 -5.034 -9.384 113 1HB LYS 13 2HB LYS 13 13.684 -4.129 -12.161 114 2HB LYS 13 1HB LYS 13 15.288 -4.614 -11.627 115 1HG LYS 13 2HG LYS 13 12.866 -6.317 -12.088 116 2HG LYS 13 1HG LYS 13 14.477 -6.461 -12.795 117 1HD LYS 13 2HD LYS 13 14.733 -8.092 -11.256 118 2HD LYS 13 1HD LYS 13 15.052 -6.746 -10.161 119 1HE LYS 13 2HE LYS 13 13.308 -7.346 -8.931 120 2HE LYS 13 1HE LYS 13 12.246 -7.068 -10.310 121 1HZ LYS 13 1HZ LYS 13 11.819 -9.246 -9.954 122 2HZ LYS 13 2HZ LYS 13 13.334 -9.568 -9.275 123 3HZ LYS 13 3HZ LYS 13 13.170 -9.444 -10.955 124 H ASP 14 H ASP 14 12.907 -2.463 -11.303 125 HA ASP 14 HA ASP 14 14.532 -0.488 -9.886 126 1HB ASP 14 2HB ASP 14 13.913 -0.711 -12.533 127 2HB ASP 14 1HB ASP 14 12.690 0.435 -11.996 128 H LEU 15 H LEU 15 12.714 -1.568 -8.231 129 HA LEU 15 HA LEU 15 10.158 -0.573 -8.105 130 1HB LEU 15 2HB LEU 15 12.118 -1.242 -5.925 131 2HB LEU 15 1HB LEU 15 10.495 -0.698 -5.561 132 HG LEU 15 HG LEU 15 11.199 -3.169 -7.146 133 1HD1 LEU 15 1HD1 LEU 15 10.829 -2.656 -4.298 134 2HD1 LEU 15 2HD1 LEU 15 11.576 -4.025 -5.119 135 3HD1 LEU 15 3HD1 LEU 15 9.825 -3.963 -4.924 136 1HD2 LEU 15 1HD2 LEU 15 8.838 -3.678 -7.074 137 2HD2 LEU 15 2HD2 LEU 15 9.080 -2.106 -7.831 138 3HD2 LEU 15 3HD2 LEU 15 8.518 -2.203 -6.165 139 HA PRO 16 HA PRO 16 11.641 3.419 -6.042 140 1HB PRO 16 2HB PRO 16 14.426 3.706 -5.806 141 2HB PRO 16 1HB PRO 16 13.314 3.213 -4.535 142 1HG PRO 16 2HG PRO 16 15.315 1.628 -5.718 143 2HG PRO 16 1HG PRO 16 14.023 1.069 -4.646 144 1HD PRO 16 2HD PRO 16 14.199 0.972 -7.616 145 2HD PRO 16 1HD PRO 16 13.414 -0.155 -6.492 146 H GLU 17 H GLU 17 11.401 3.044 -8.756 147 HA GLU 17 HA GLU 17 12.823 3.780 -10.751 148 1HB GLU 17 2HB GLU 17 10.378 3.955 -10.800 149 2HB GLU 17 1HB GLU 17 10.466 5.493 -9.953 150 1HG GLU 17 2HG GLU 17 12.125 5.778 -12.179 151 2HG GLU 17 1HG GLU 17 10.694 4.930 -12.761 152 H GLU 18 H GLU 18 11.994 6.312 -8.389 153 HA GLU 18 HA GLU 18 13.850 8.166 -9.539 154 1HB GLU 18 2HB GLU 18 12.041 8.188 -7.161 155 2HB GLU 18 1HB GLU 18 13.298 9.408 -7.308 156 1HG GLU 18 2HG GLU 18 11.686 9.052 -9.721 157 2HG GLU 18 1HG GLU 18 10.781 9.611 -8.315 158 H PHE 19 H PHE 19 13.634 6.902 -6.266 159 HA PHE 19 HA PHE 19 16.325 5.982 -6.154 160 1HB PHE 19 2HB PHE 19 15.711 8.558 -4.683 161 2HB PHE 19 1HB PHE 19 17.177 7.605 -4.494 162 HD1 PHE 19 HD1 PHE 19 15.472 10.109 -6.426 163 HD2 PHE 19 HD2 PHE 19 18.754 7.401 -6.423 164 HE1 PHE 19 HE1 PHE 19 16.518 11.382 -8.252 165 HE2 PHE 19 HE2 PHE 19 19.807 8.669 -8.250 166 HZ PHE 19 HZ PHE 19 18.688 10.663 -9.167 167 H ARG 20 H ARG 20 14.069 7.561 -3.900 168 HA ARG 20 HA ARG 20 14.437 6.175 -1.627 169 1HB ARG 20 2HB ARG 20 11.759 6.959 -2.775 170 2HB ARG 20 1HB ARG 20 12.058 6.566 -1.088 171 1HG ARG 20 2HG ARG 20 13.845 8.623 -2.117 172 2HG ARG 20 1HG ARG 20 12.140 9.070 -2.199 173 1HD ARG 20 2HD ARG 20 13.370 9.680 -0.066 174 2HD ARG 20 1HD ARG 20 11.852 8.803 0.124 175 HE ARG 20 HE ARG 20 13.021 7.104 1.095 176 1HH1 ARG 20 2HH1 ARG 20 15.251 9.049 -0.756 177 2HH1 ARG 20 1HH1 ARG 20 16.650 8.185 -0.215 178 1HH2 ARG 20 1HH2 ARG 20 14.862 5.963 1.804 179 2HH2 ARG 20 2HH2 ARG 20 16.429 6.433 1.237 180 HA PRO 21 HA PRO 21 13.244 2.015 -3.013 181 1HB PRO 21 2HB PRO 21 15.045 0.659 -1.599 182 2HB PRO 21 1HB PRO 21 15.527 1.580 -3.028 183 1HG PRO 21 2HG PRO 21 15.842 2.261 -0.141 184 2HG PRO 21 1HG PRO 21 16.952 2.553 -1.490 185 1HD PRO 21 2HD PRO 21 15.183 4.420 -0.393 186 2HD PRO 21 1HD PRO 21 15.987 4.553 -1.969 187 H PHE 22 H PHE 22 11.227 1.915 -2.019 188 HA PHE 22 HA PHE 22 11.140 1.428 0.872 189 1HB PHE 22 2HB PHE 22 9.389 2.729 -1.028 190 2HB PHE 22 1HB PHE 22 8.520 1.482 -0.140 191 HD1 PHE 22 HD1 PHE 22 10.477 4.585 0.191 192 HD2 PHE 22 HD2 PHE 22 7.964 1.760 2.141 193 HE1 PHE 22 HE1 PHE 22 10.238 6.120 2.099 194 HE2 PHE 22 HE2 PHE 22 7.719 3.289 4.052 195 HZ PHE 22 HZ PHE 22 8.858 5.473 4.034 196 H VAL 23 H VAL 23 9.181 0.208 -1.835 197 HA VAL 23 HA VAL 23 8.650 -2.260 -0.575 198 HB VAL 23 HB VAL 23 7.916 -2.981 -2.913 199 1HG1 VAL 23 1HG1 VAL 23 6.022 -1.178 -2.844 200 2HG1 VAL 23 2HG1 VAL 23 6.788 -0.726 -1.321 201 3HG1 VAL 23 3HG1 VAL 23 6.174 -2.363 -1.548 202 1HG2 VAL 23 1HG2 VAL 23 8.296 -0.059 -3.531 203 2HG2 VAL 23 2HG2 VAL 23 7.733 -1.331 -4.615 204 3HG2 VAL 23 3HG2 VAL 23 9.407 -1.319 -4.063 205 H ASP 24 H ASP 24 11.501 -1.203 -1.980 206 HA ASP 24 HA ASP 24 12.499 -3.284 -3.462 207 1HB ASP 24 2HB ASP 24 14.721 -2.608 -2.721 208 2HB ASP 24 1HB ASP 24 13.724 -1.185 -3.005 209 H TYR 25 H TYR 25 11.863 -3.164 -0.053 210 HA TYR 25 HA TYR 25 13.410 -5.360 0.773 211 1HB TYR 25 2HB TYR 25 12.367 -5.118 2.821 212 2HB TYR 25 1HB TYR 25 12.082 -3.527 2.127 213 HD1 TYR 25 HD1 TYR 25 10.512 -6.817 2.788 214 HD2 TYR 25 HD2 TYR 25 9.882 -2.741 1.745 215 HE1 TYR 25 HE1 TYR 25 8.094 -7.109 3.133 216 HE2 TYR 25 HE2 TYR 25 7.463 -3.021 2.086 217 HH TYR 25 HH TYR 25 5.919 -5.804 2.132 218 H LYS 26 H LYS 26 10.307 -5.127 -0.790 219 HA LYS 26 HA LYS 26 9.451 -7.784 -0.252 220 1HB LYS 26 2HB LYS 26 7.802 -6.162 -0.876 221 2HB LYS 26 1HB LYS 26 8.657 -5.773 -2.361 222 1HG LYS 26 2HG LYS 26 6.667 -7.120 -2.780 223 2HG LYS 26 1HG LYS 26 8.138 -7.963 -3.266 224 1HD LYS 26 2HD LYS 26 7.989 -8.951 -0.834 225 2HD LYS 26 1HD LYS 26 6.285 -8.520 -0.995 226 1HE LYS 26 2HE LYS 26 7.157 -9.822 -3.386 227 2HE LYS 26 1HE LYS 26 7.616 -10.803 -1.995 228 1HZ LYS 26 1HZ LYS 26 5.234 -10.943 -3.120 229 2HZ LYS 26 2HZ LYS 26 4.912 -9.719 -1.998 230 3HZ LYS 26 3HZ LYS 26 5.474 -11.223 -1.469 231 H ALA 27 H ALA 27 11.488 -6.312 -2.679 232 HA ALA 27 HA ALA 27 11.504 -8.602 -4.409 233 1HB ALA 27 1HB ALA 27 12.142 -6.016 -4.813 234 2HB ALA 27 2HB ALA 27 12.692 -7.335 -5.846 235 3HB ALA 27 3HB ALA 27 13.750 -6.702 -4.584 236 H GLY 28 H GLY 28 13.005 -7.851 -1.451 237 1HA GLY 28 2HA GLY 28 14.779 -10.167 -1.805 238 2HA GLY 28 1HA GLY 28 15.472 -8.655 -1.238 239 H LEU 29 H LEU 29 12.251 -9.608 -0.276 240 HA LEU 29 HA LEU 29 12.896 -9.410 2.469 241 1HB LEU 29 2HB LEU 29 10.656 -9.744 2.900 242 2HB LEU 29 1HB LEU 29 10.623 -9.093 1.273 243 HG LEU 29 HG LEU 29 10.354 -12.011 2.005 244 1HD1 LEU 29 1HD1 LEU 29 8.096 -11.823 1.765 245 2HD1 LEU 29 2HD1 LEU 29 8.212 -10.441 0.675 246 3HD1 LEU 29 3HD1 LEU 29 8.455 -10.220 2.408 247 1HD2 LEU 29 1HD2 LEU 29 10.560 -10.570 -0.603 248 2HD2 LEU 29 2HD2 LEU 29 9.593 -12.038 -0.480 249 3HD2 LEU 29 3HD2 LEU 29 11.313 -12.080 -0.093 250 H GLU 30 H GLU 30 13.325 -11.936 0.275 251 HA GLU 30 HA GLU 30 14.446 -13.652 2.222 252 1HB GLU 30 2HB GLU 30 12.114 -14.112 2.768 253 2HB GLU 30 1HB GLU 30 11.769 -14.484 1.085 254 1HG GLU 30 2HG GLU 30 13.909 -16.140 1.840 255 2HG GLU 30 1HG GLU 30 12.741 -16.194 3.159 256 H LYS 31 H LYS 31 15.887 -12.972 0.329 257 HA LYS 31 HA LYS 31 17.031 -13.447 -1.568 258 1HB LYS 31 2HB LYS 31 17.695 -15.678 -1.836 259 2HB LYS 31 1HB LYS 31 17.297 -15.554 -0.131 260 1HG LYS 31 2HG LYS 31 15.738 -17.130 -0.288 261 2HG LYS 31 1HG LYS 31 15.009 -16.384 -1.709 262 1HD LYS 31 2HD LYS 31 16.424 -17.525 -3.182 263 2HD LYS 31 1HD LYS 31 17.569 -17.936 -1.902 264 1HE LYS 31 2HE LYS 31 16.449 -19.939 -2.287 265 2HE LYS 31 1HE LYS 31 15.618 -19.270 -0.883 266 1HZ LYS 31 1HZ LYS 31 13.891 -18.433 -2.360 267 2HZ LYS 31 2HZ LYS 31 14.049 -20.110 -2.506 268 3HZ LYS 31 3HZ LYS 31 14.686 -19.095 -3.699 269 H LYS 32 H LYS 32 14.438 -12.540 -1.960 270 HA LYS 32 HA LYS 32 13.433 -14.074 -4.246 271 1HB LYS 32 2HB LYS 32 11.903 -13.281 -2.372 272 2HB LYS 32 1HB LYS 32 12.153 -11.651 -2.983 273 1HG LYS 32 2HG LYS 32 10.982 -12.059 -4.931 274 2HG LYS 32 1HG LYS 32 11.200 -13.806 -4.819 275 1HD LYS 32 2HD LYS 32 9.775 -13.587 -2.659 276 2HD LYS 32 1HD LYS 32 9.288 -12.035 -3.345 277 1HE LYS 32 2HE LYS 32 8.656 -13.277 -5.436 278 2HE LYS 32 1HE LYS 32 8.929 -14.773 -4.546 279 1HZ LYS 32 1HZ LYS 32 6.918 -12.676 -3.949 280 2HZ LYS 32 2HZ LYS 32 7.260 -13.966 -2.911 281 3HZ LYS 32 3HZ LYS 32 6.623 -14.265 -4.449 282 H LYS 33 H LYS 33 15.898 -12.468 -4.333 283 HA LYS 33 HA LYS 33 15.305 -10.102 -5.850 284 1HB LYS 33 2HB LYS 33 17.511 -11.064 -4.451 285 2HB LYS 33 1HB LYS 33 18.023 -11.101 -6.132 286 1HG LYS 33 2HG LYS 33 18.178 -8.876 -6.256 287 2HG LYS 33 1HG LYS 33 16.668 -8.627 -5.380 288 1HD LYS 33 2HD LYS 33 17.932 -9.234 -3.277 289 2HD LYS 33 1HD LYS 33 19.408 -9.140 -4.239 290 1HE LYS 33 2HE LYS 33 19.154 -7.038 -3.172 291 2HE LYS 33 1HE LYS 33 18.726 -6.803 -4.865 292 1HZ LYS 33 1HZ LYS 33 16.538 -7.484 -3.079 293 2HZ LYS 33 2HZ LYS 33 16.588 -6.376 -4.356 294 3HZ LYS 33 3HZ LYS 33 17.227 -5.955 -2.847 295 H LEU 34 H LEU 34 14.073 -10.840 -7.606 296 HA LEU 34 HA LEU 34 15.310 -12.736 -9.446 297 1HB LEU 34 2HB LEU 34 12.647 -11.364 -9.760 298 2HB LEU 34 1HB LEU 34 13.207 -12.812 -10.570 299 HG LEU 34 HG LEU 34 11.890 -13.835 -9.046 300 1HD1 LEU 34 1HD1 LEU 34 13.099 -14.783 -7.319 301 2HD1 LEU 34 2HD1 LEU 34 13.998 -13.300 -6.995 302 3HD1 LEU 34 3HD1 LEU 34 14.367 -14.260 -8.428 303 1HD2 LEU 34 1HD2 LEU 34 10.703 -12.211 -8.007 304 2HD2 LEU 34 2HD2 LEU 34 12.136 -11.269 -7.594 305 3HD2 LEU 34 3HD2 LEU 34 11.714 -12.695 -6.646 306 H SER 35 H SER 35 14.526 -11.983 -11.885 307 HA SER 35 HA SER 35 16.052 -9.519 -12.324 308 1HB SER 35 2HB SER 35 15.702 -12.036 -13.810 309 2HB SER 35 1HB SER 35 15.671 -10.589 -14.817 310 HG SER 35 HG SER 35 17.768 -11.789 -13.615 311 H ASP 36 H ASP 36 15.234 -8.664 -14.728 312 HA ASP 36 HA ASP 36 12.905 -7.212 -14.178 313 1HB ASP 36 2HB ASP 36 14.625 -6.485 -15.792 314 2HB ASP 36 1HB ASP 36 14.151 -7.790 -16.876 315 H ASP 37 H ASP 37 11.231 -8.591 -13.592 316 HA ASP 37 HA ASP 37 9.668 -9.603 -15.773 317 1HB ASP 37 2HB ASP 37 11.221 -11.494 -15.401 318 2HB ASP 37 1HB ASP 37 10.695 -11.579 -13.723 319 H ASP 38 H ASP 38 10.151 -9.554 -12.261 320 HA ASP 38 HA ASP 38 7.315 -9.744 -11.746 321 1HB ASP 38 2HB ASP 38 9.645 -10.250 -10.275 322 2HB ASP 38 1HB ASP 38 8.886 -8.880 -9.473 323 H GLU 39 H GLU 39 6.122 -8.122 -10.546 324 HA GLU 39 HA GLU 39 7.164 -5.408 -10.578 325 1HB GLU 39 2HB GLU 39 4.557 -5.981 -11.978 326 2HB GLU 39 1HB GLU 39 5.474 -4.482 -11.965 327 1HG GLU 39 2HG GLU 39 7.291 -5.708 -13.196 328 2HG GLU 39 1HG GLU 39 6.152 -7.041 -13.383 329 H ILE 40 H ILE 40 5.469 -3.858 -9.661 330 HA ILE 40 HA ILE 40 3.704 -5.206 -7.738 331 HB ILE 40 HB ILE 40 5.467 -2.887 -6.961 332 1HG1 ILE 40 2HG1 ILE 40 5.844 -5.838 -6.402 333 2HG1 ILE 40 1HG1 ILE 40 6.873 -4.834 -7.418 334 1HG2 ILE 40 1HG2 ILE 40 3.638 -4.720 -5.427 335 2HG2 ILE 40 2HG2 ILE 40 3.506 -2.973 -5.626 336 3HG2 ILE 40 3HG2 ILE 40 4.813 -3.653 -4.658 337 1HD1 ILE 40 1HD1 ILE 40 7.004 -3.442 -5.134 338 2HD1 ILE 40 2HD1 ILE 40 8.118 -4.745 -5.551 339 3HD1 ILE 40 3HD1 ILE 40 6.746 -5.063 -4.489 340 H ALA 41 H ALA 41 2.076 -3.779 -6.798 341 HA ALA 41 HA ALA 41 1.496 -1.422 -8.463 342 1HB ALA 41 1HB ALA 41 -0.412 -3.598 -7.632 343 2HB ALA 41 2HB ALA 41 0.040 -3.124 -9.269 344 3HB ALA 41 3HB ALA 41 -0.929 -2.038 -8.272 345 H ILE 42 H ILE 42 1.597 0.306 -7.193 346 HA ILE 42 HA ILE 42 0.732 0.061 -4.392 347 HB ILE 42 HB ILE 42 1.936 2.309 -4.153 348 1HG1 ILE 42 2HG1 ILE 42 2.082 2.443 -6.764 349 2HG1 ILE 42 1HG1 ILE 42 3.413 3.042 -5.783 350 1HG2 ILE 42 1HG2 ILE 42 4.231 1.006 -4.261 351 2HG2 ILE 42 2HG2 ILE 42 3.158 -0.376 -4.486 352 3HG2 ILE 42 3HG2 ILE 42 3.009 0.633 -3.046 353 1HD1 ILE 42 1HD1 ILE 42 4.824 1.398 -6.456 354 2HD1 ILE 42 2HD1 ILE 42 3.786 1.475 -7.879 355 3HD1 ILE 42 3HD1 ILE 42 3.531 0.218 -6.668 356 H ILE 43 H ILE 43 -0.905 1.257 -3.605 357 HA ILE 43 HA ILE 43 -2.011 3.417 -5.249 358 HB ILE 43 HB ILE 43 -3.771 1.312 -3.998 359 1HG1 ILE 43 2HG1 ILE 43 -3.184 1.607 -6.943 360 2HG1 ILE 43 1HG1 ILE 43 -2.301 0.485 -5.912 361 1HG2 ILE 43 1HG2 ILE 43 -5.544 2.488 -4.747 362 2HG2 ILE 43 2HG2 ILE 43 -4.709 3.031 -6.202 363 3HG2 ILE 43 3HG2 ILE 43 -4.411 3.836 -4.661 364 1HD1 ILE 43 1HD1 ILE 43 -4.555 -0.500 -5.308 365 2HD1 ILE 43 2HD1 ILE 43 -3.973 -0.783 -6.949 366 3HD1 ILE 43 3HD1 ILE 43 -5.205 0.443 -6.650 367 H SER 44 H SER 44 -2.366 5.178 -4.073 368 HA SER 44 HA SER 44 -2.744 4.868 -1.167 369 1HB SER 44 2HB SER 44 -0.614 6.089 -2.334 370 2HB SER 44 1HB SER 44 -1.713 7.457 -2.151 371 HG SER 44 HG SER 44 -0.964 5.673 -0.073 372 H ILE 45 H ILE 45 -4.705 5.423 -0.515 373 HA ILE 45 HA ILE 45 -6.459 6.965 -2.210 374 HB ILE 45 HB ILE 45 -7.017 6.033 0.604 375 1HG1 ILE 45 2HG1 ILE 45 -6.292 4.120 -0.748 376 2HG1 ILE 45 1HG1 ILE 45 -8.016 4.024 -0.403 377 1HG2 ILE 45 1HG2 ILE 45 -9.175 6.594 0.254 378 2HG2 ILE 45 2HG2 ILE 45 -9.123 6.162 -1.455 379 3HG2 ILE 45 3HG2 ILE 45 -8.467 7.708 -0.917 380 1HD1 ILE 45 1HD1 ILE 45 -8.602 4.540 -2.593 381 2HD1 ILE 45 2HD1 ILE 45 -7.217 3.462 -2.763 382 3HD1 ILE 45 3HD1 ILE 45 -7.010 5.202 -2.963 383 H LYS 46 H LYS 46 -4.737 7.411 0.830 384 HA LYS 46 HA LYS 46 -4.759 10.250 0.545 385 1HB LYS 46 2HB LYS 46 -6.833 8.983 2.164 386 2HB LYS 46 1HB LYS 46 -5.874 10.137 3.081 387 1HG LYS 46 2HG LYS 46 -6.474 11.919 1.677 388 2HG LYS 46 1HG LYS 46 -7.087 10.835 0.427 389 1HD LYS 46 2HD LYS 46 -8.747 10.071 2.279 390 2HD LYS 46 1HD LYS 46 -8.321 11.606 3.041 391 1HE LYS 46 2HE LYS 46 -10.277 11.964 1.720 392 2HE LYS 46 1HE LYS 46 -8.924 12.745 0.903 393 1HZ LYS 46 1HZ LYS 46 -9.030 11.322 -0.823 394 2HZ LYS 46 2HZ LYS 46 -10.637 11.143 -0.329 395 3HZ LYS 46 3HZ LYS 46 -9.480 9.998 0.130 396 H GLY 47 H GLY 47 -2.808 10.826 1.222 397 1HA GLY 47 2HA GLY 47 -1.053 9.167 2.623 398 2HA GLY 47 1HA GLY 47 -0.851 10.900 2.420 399 H THR 48 H THR 48 -3.409 11.451 3.811 400 HA THR 48 HA THR 48 -2.332 11.446 6.493 401 HB THR 48 HB THR 48 -4.963 12.535 5.473 402 HG1 THR 48 HG1 THR 48 -2.503 13.871 5.915 403 1HG2 THR 48 1HG2 THR 48 -3.479 12.966 8.045 404 2HG2 THR 48 2HG2 THR 48 -5.136 12.406 7.817 405 3HG2 THR 48 3HG2 THR 48 -4.710 14.076 7.444 406 H GLN 49 H GLN 49 -4.760 9.736 4.681 407 HA GLN 49 HA GLN 49 -6.029 8.619 7.023 408 1HB GLN 49 2HB GLN 49 -6.980 9.080 4.575 409 2HB GLN 49 1HB GLN 49 -6.431 7.428 4.323 410 1HG GLN 49 2HG GLN 49 -8.603 7.096 4.966 411 2HG GLN 49 1HG GLN 49 -7.759 6.944 6.506 412 1HE2 GLN 49 1HE2 GLN 49 -8.992 9.611 4.508 413 2HE2 GLN 49 2HE2 GLN 49 -9.829 10.410 5.791 414 H SER 50 H SER 50 -4.483 7.047 4.215 415 HA SER 50 HA SER 50 -2.601 5.571 5.660 416 1HB SER 50 2HB SER 50 -4.995 4.596 6.350 417 2HB SER 50 1HB SER 50 -4.751 3.669 4.870 418 HG SER 50 HG SER 50 -2.822 2.884 5.731 419 H ASN 51 H ASN 51 -1.668 3.759 4.350 420 HA ASN 51 HA ASN 51 -2.028 4.313 1.478 421 1HB ASN 51 2HB ASN 51 0.368 3.477 1.287 422 2HB ASN 51 1HB ASN 51 0.152 5.034 2.079 423 1HD2 ASN 51 1HD2 ASN 51 1.897 2.353 2.226 424 2HD2 ASN 51 2HD2 ASN 51 2.190 2.245 3.925 425 H HIS 52 H HIS 52 -1.297 2.434 0.066 426 HA HIS 52 HA HIS 52 -1.902 -0.162 1.288 427 1HB HIS 52 2HB HIS 52 -3.141 0.764 -1.308 428 2HB HIS 52 1HB HIS 52 -3.445 -0.754 -0.470 429 HD1 HIS 52 HD1 HIS 52 -5.230 -0.756 1.306 430 HD2 HIS 52 HD2 HIS 52 -4.266 3.068 0.001 431 HE1 HIS 52 HE1 HIS 52 -6.955 0.759 2.331 432 HE2 HIS 52 HE2 HIS 52 -6.413 3.053 1.442 433 H VAL 53 H VAL 53 -0.852 -1.900 0.386 434 HA VAL 53 HA VAL 53 0.846 -1.391 -1.957 435 HB VAL 53 HB VAL 53 2.248 -1.137 0.047 436 1HG1 VAL 53 1HG1 VAL 53 1.694 -4.035 0.641 437 2HG1 VAL 53 2HG1 VAL 53 0.861 -2.708 1.449 438 3HG1 VAL 53 3HG1 VAL 53 2.609 -2.881 1.610 439 1HG2 VAL 53 1HG2 VAL 53 3.704 -3.343 -0.582 440 2HG2 VAL 53 2HG2 VAL 53 3.697 -1.848 -1.517 441 3HG2 VAL 53 3HG2 VAL 53 2.669 -3.196 -2.002 442 H LEU 54 H LEU 54 0.508 -2.870 -3.472 443 HA LEU 54 HA LEU 54 -0.176 -5.610 -2.657 444 1HB LEU 54 2HB LEU 54 -1.531 -3.953 -4.780 445 2HB LEU 54 1HB LEU 54 -1.717 -5.691 -4.647 446 HG LEU 54 HG LEU 54 -2.554 -3.647 -2.590 447 1HD1 LEU 54 1HD1 LEU 54 -3.950 -5.129 -4.742 448 2HD1 LEU 54 2HD1 LEU 54 -4.247 -3.515 -4.097 449 3HD1 LEU 54 3HD1 LEU 54 -4.793 -4.936 -3.205 450 1HD2 LEU 54 1HD2 LEU 54 -3.565 -5.600 -1.437 451 2HD2 LEU 54 2HD2 LEU 54 -1.802 -5.625 -1.456 452 3HD2 LEU 54 3HD2 LEU 54 -2.709 -6.657 -2.560 453 H PHE 55 H PHE 55 0.645 -7.242 -3.927 454 HA PHE 55 HA PHE 55 2.607 -6.392 -5.948 455 1HB PHE 55 2HB PHE 55 3.033 -9.113 -5.280 456 2HB PHE 55 1HB PHE 55 4.053 -7.733 -4.896 457 HD1 PHE 55 HD1 PHE 55 4.010 -6.727 -2.703 458 HD2 PHE 55 HD2 PHE 55 1.500 -10.032 -3.645 459 HE1 PHE 55 HE1 PHE 55 3.567 -7.067 -0.307 460 HE2 PHE 55 HE2 PHE 55 1.052 -10.378 -1.250 461 HZ PHE 55 HZ PHE 55 2.085 -8.894 0.422 462 H LEU 56 H LEU 56 2.700 -7.407 -7.947 463 HA LEU 56 HA LEU 56 0.267 -8.893 -8.669 464 1HB LEU 56 2HB LEU 56 2.171 -7.503 -10.546 465 2HB LEU 56 1HB LEU 56 0.570 -8.117 -10.913 466 HG LEU 56 HG LEU 56 0.937 -5.934 -8.888 467 1HD1 LEU 56 1HD1 LEU 56 0.359 -4.397 -10.852 468 2HD1 LEU 56 2HD1 LEU 56 0.947 -5.706 -11.876 469 3HD1 LEU 56 3HD1 LEU 56 2.026 -4.953 -10.702 470 1HD2 LEU 56 1HD2 LEU 56 -1.348 -5.376 -9.582 471 2HD2 LEU 56 2HD2 LEU 56 -1.229 -7.032 -8.987 472 3HD2 LEU 56 3HD2 LEU 56 -1.324 -6.723 -10.721 473 H SER 57 H SER 57 0.466 -10.996 -9.001 474 HA SER 57 HA SER 57 3.022 -12.270 -9.145 475 1HB SER 57 2HB SER 57 0.661 -13.116 -8.231 476 2HB SER 57 1HB SER 57 0.546 -13.764 -9.866 477 HG SER 57 HG SER 57 2.511 -14.854 -9.499 478 H SER 58 H SER 58 0.403 -11.656 -11.447 479 HA SER 58 HA SER 58 2.303 -12.186 -13.621 480 1HB SER 58 2HB SER 58 -0.299 -13.514 -13.125 481 2HB SER 58 1HB SER 58 0.011 -13.019 -14.789 482 HG SER 58 HG SER 58 0.913 -14.986 -14.670 483 H TYR 59 H TYR 59 -1.152 -11.406 -13.764 484 HA TYR 59 HA TYR 59 -2.256 -9.712 -14.822 485 1HB TYR 59 2HB TYR 59 -1.564 -8.586 -12.744 486 2HB TYR 59 1HB TYR 59 -0.069 -8.075 -13.521 487 HD1 TYR 59 HD1 TYR 59 -0.255 -5.739 -13.501 488 HD2 TYR 59 HD2 TYR 59 -3.500 -8.075 -14.956 489 HE1 TYR 59 HE1 TYR 59 -1.367 -3.693 -14.288 490 HE2 TYR 59 HE2 TYR 59 -4.620 -6.035 -15.748 491 HH TYR 59 HH TYR 59 -4.328 -3.309 -14.854 492 H ASN 60 H ASN 60 -1.956 -10.162 -16.987 493 HA ASN 60 HA ASN 60 -0.153 -8.358 -18.387 494 1HB ASN 60 2HB ASN 60 0.606 -10.282 -19.872 495 2HB ASN 60 1HB ASN 60 1.297 -10.228 -18.253 496 1HD2 ASN 60 1HD2 ASN 60 0.868 -11.842 -16.829 497 2HD2 ASN 60 2HD2 ASN 60 -0.013 -13.271 -17.236 498 H SER 61 H SER 61 -1.793 -7.275 -19.362 499 HA SER 61 HA SER 61 -3.488 -6.818 -20.806 500 1HB SER 61 2HB SER 61 -1.886 -7.886 -22.391 501 2HB SER 61 1HB SER 61 -2.693 -9.430 -22.112 502 HG SER 61 HG SER 61 -3.812 -8.731 -23.783 503 H VAL 62 H VAL 62 -5.040 -7.112 -19.111 504 HA VAL 62 HA VAL 62 -7.066 -9.017 -19.804 505 HB VAL 62 HB VAL 62 -7.170 -9.880 -17.365 506 1HG1 VAL 62 1HG1 VAL 62 -6.336 -10.987 -19.664 507 2HG1 VAL 62 2HG1 VAL 62 -6.363 -11.848 -18.125 508 3HG1 VAL 62 3HG1 VAL 62 -4.861 -11.132 -18.709 509 1HG2 VAL 62 1HG2 VAL 62 -5.082 -8.247 -16.943 510 2HG2 VAL 62 2HG2 VAL 62 -4.220 -9.734 -17.335 511 3HG2 VAL 62 3HG2 VAL 62 -5.373 -9.709 -16.001 512 H ASP 63 H ASP 63 -8.886 -7.903 -19.637 513 HA ASP 63 HA ASP 63 -9.070 -5.456 -18.213 514 1HB ASP 63 2HB ASP 63 -11.426 -5.464 -18.904 515 2HB ASP 63 1HB ASP 63 -10.369 -5.877 -20.250 516 H GLU 64 H GLU 64 -9.797 -8.757 -17.417 517 HA GLU 64 HA GLU 64 -11.638 -8.420 -15.354 518 1HB GLU 64 2HB GLU 64 -10.921 -10.598 -16.367 519 2HB GLU 64 1HB GLU 64 -9.431 -10.482 -15.443 520 1HG GLU 64 2HG GLU 64 -10.405 -11.348 -13.660 521 2HG GLU 64 1HG GLU 64 -11.670 -10.121 -13.701 522 H ILE 65 H ILE 65 -8.098 -8.781 -15.050 523 HA ILE 65 HA ILE 65 -8.032 -8.147 -12.298 524 HB ILE 65 HB ILE 65 -5.772 -7.834 -14.276 525 1HG1 ILE 65 2HG1 ILE 65 -6.656 -10.263 -12.700 526 2HG1 ILE 65 1HG1 ILE 65 -6.722 -10.078 -14.449 527 1HG2 ILE 65 1HG2 ILE 65 -5.809 -8.245 -11.289 528 2HG2 ILE 65 2HG2 ILE 65 -5.309 -6.789 -12.150 529 3HG2 ILE 65 3HG2 ILE 65 -4.360 -8.269 -12.295 530 1HD1 ILE 65 1HD1 ILE 65 -4.848 -11.420 -13.990 531 2HD1 ILE 65 2HD1 ILE 65 -4.296 -10.346 -12.704 532 3HD1 ILE 65 3HD1 ILE 65 -4.214 -9.824 -14.387 533 H ARG 66 H ARG 66 -7.756 -6.203 -15.214 534 HA ARG 66 HA ARG 66 -6.829 -3.827 -14.042 535 1HB ARG 66 2HB ARG 66 -6.954 -4.357 -16.509 536 2HB ARG 66 1HB ARG 66 -8.677 -4.020 -16.422 537 1HG ARG 66 2HG ARG 66 -7.944 -1.744 -15.444 538 2HG ARG 66 1HG ARG 66 -6.371 -2.142 -16.136 539 1HD ARG 66 2HD ARG 66 -7.071 -1.774 -18.235 540 2HD ARG 66 1HD ARG 66 -8.618 -2.573 -17.960 541 HE ARG 66 HE ARG 66 -8.060 0.241 -17.775 542 1HH1 ARG 66 2HH1 ARG 66 -10.180 -2.331 -16.741 543 2HH1 ARG 66 1HH1 ARG 66 -11.509 -1.271 -16.411 544 1HH2 ARG 66 1HH2 ARG 66 -9.808 1.637 -17.341 545 2HH2 ARG 66 2HH2 ARG 66 -11.298 0.981 -16.751 546 H LYS 67 H LYS 67 -10.072 -5.142 -14.435 547 HA LYS 67 HA LYS 67 -11.327 -2.772 -13.349 548 1HB LYS 67 2HB LYS 67 -12.464 -4.079 -15.085 549 2HB LYS 67 1HB LYS 67 -12.482 -5.482 -14.027 550 1HG LYS 67 2HG LYS 67 -13.672 -3.390 -12.580 551 2HG LYS 67 1HG LYS 67 -14.349 -3.325 -14.208 552 1HD LYS 67 2HD LYS 67 -14.132 -5.973 -12.864 553 2HD LYS 67 1HD LYS 67 -15.400 -4.864 -12.335 554 1HE LYS 67 2HE LYS 67 -15.735 -4.679 -14.985 555 2HE LYS 67 1HE LYS 67 -15.080 -6.314 -14.896 556 1HZ LYS 67 1HZ LYS 67 -17.548 -5.261 -13.653 557 2HZ LYS 67 2HZ LYS 67 -16.833 -6.701 -13.127 558 3HZ LYS 67 3HZ LYS 67 -17.381 -6.563 -14.721 559 H GLU 68 H GLU 68 -10.304 -5.921 -12.243 560 HA GLU 68 HA GLU 68 -11.756 -5.937 -9.806 561 1HB GLU 68 2HB GLU 68 -10.679 -7.928 -10.951 562 2HB GLU 68 1HB GLU 68 -9.139 -7.347 -10.331 563 1HG GLU 68 2HG GLU 68 -11.403 -7.769 -8.443 564 2HG GLU 68 1HG GLU 68 -10.501 -9.161 -9.043 565 H LEU 69 H LEU 69 -8.329 -5.223 -10.501 566 HA LEU 69 HA LEU 69 -7.643 -4.434 -7.899 567 1HB LEU 69 2HB LEU 69 -6.135 -4.939 -9.931 568 2HB LEU 69 1HB LEU 69 -6.387 -3.258 -10.362 569 HG LEU 69 HG LEU 69 -5.516 -2.696 -8.022 570 1HD1 LEU 69 1HD1 LEU 69 -5.394 -4.551 -6.736 571 2HD1 LEU 69 2HD1 LEU 69 -3.791 -4.667 -7.466 572 3HD1 LEU 69 3HD1 LEU 69 -5.126 -5.621 -8.113 573 1HD2 LEU 69 1HD2 LEU 69 -4.298 -2.495 -10.242 574 2HD2 LEU 69 2HD2 LEU 69 -3.503 -4.012 -9.824 575 3HD2 LEU 69 3HD2 LEU 69 -3.297 -2.595 -8.794 576 H GLU 70 H GLU 70 -8.554 -2.449 -10.714 577 HA GLU 70 HA GLU 70 -8.414 0.051 -9.535 578 1HB GLU 70 2HB GLU 70 -9.924 -1.119 -11.803 579 2HB GLU 70 1HB GLU 70 -10.511 0.419 -11.183 580 1HG GLU 70 2HG GLU 70 -8.239 1.353 -11.490 581 2HG GLU 70 1HG GLU 70 -7.753 -0.170 -12.232 582 H GLU 71 H GLU 71 -10.793 -2.455 -9.155 583 HA GLU 71 HA GLU 71 -12.858 -0.874 -8.035 584 1HB GLU 71 2HB GLU 71 -12.399 -3.639 -8.611 585 2HB GLU 71 1HB GLU 71 -12.976 -3.500 -6.957 586 1HG GLU 71 2HG GLU 71 -14.961 -2.401 -7.654 587 2HG GLU 71 1HG GLU 71 -14.352 -2.215 -9.298 588 H ALA 72 H ALA 72 -10.235 -2.794 -6.611 589 HA ALA 72 HA ALA 72 -10.933 -2.296 -3.915 590 1HB ALA 72 1HB ALA 72 -9.382 -4.101 -4.867 591 2HB ALA 72 2HB ALA 72 -8.928 -3.346 -3.338 592 3HB ALA 72 3HB ALA 72 -8.134 -2.855 -4.835 593 H GLY 73 H GLY 73 -9.547 -0.289 -6.292 594 1HA GLY 73 2HA GLY 73 -7.968 1.342 -4.534 595 2HA GLY 73 1HA GLY 73 -8.393 1.710 -6.198 596 H ALA 74 H ALA 74 -10.820 2.247 -6.480 597 HA ALA 74 HA ALA 74 -11.586 4.060 -4.285 598 1HB ALA 74 1HB ALA 74 -12.043 5.711 -5.746 599 2HB ALA 74 2HB ALA 74 -12.659 4.602 -6.972 600 3HB ALA 74 3HB ALA 74 -10.920 4.824 -6.777 601 H LYS 75 H LYS 75 -12.475 1.244 -5.820 602 HA LYS 75 HA LYS 75 -15.344 1.690 -5.429 603 1HB LYS 75 2HB LYS 75 -14.117 0.561 -7.523 604 2HB LYS 75 1HB LYS 75 -14.320 -0.876 -6.531 605 1HG LYS 75 2HG LYS 75 -16.219 -0.867 -7.854 606 2HG LYS 75 1HG LYS 75 -16.779 -0.141 -6.346 607 1HD LYS 75 2HD LYS 75 -17.626 1.410 -7.762 608 2HD LYS 75 1HD LYS 75 -15.995 2.074 -7.636 609 1HE LYS 75 2HE LYS 75 -15.446 0.576 -9.645 610 2HE LYS 75 1HE LYS 75 -17.191 0.429 -9.843 611 1HZ LYS 75 1HZ LYS 75 -17.380 2.544 -10.551 612 2HZ LYS 75 2HZ LYS 75 -15.756 2.343 -10.980 613 3HZ LYS 75 3HZ LYS 75 -16.157 3.128 -9.537 614 H ILE 76 H ILE 76 -15.630 -1.336 -5.166 615 HA ILE 76 HA ILE 76 -16.177 -1.628 -2.546 616 HB ILE 76 HB ILE 76 -14.872 -3.816 -4.168 617 1HG1 ILE 76 2HG1 ILE 76 -17.757 -2.910 -4.053 618 2HG1 ILE 76 1HG1 ILE 76 -16.695 -2.868 -5.455 619 1HG2 ILE 76 1HG2 ILE 76 -15.482 -5.269 -2.574 620 2HG2 ILE 76 2HG2 ILE 76 -17.032 -4.473 -2.303 621 3HG2 ILE 76 3HG2 ILE 76 -15.573 -3.850 -1.534 622 1HD1 ILE 76 1HD1 ILE 76 -17.905 -5.259 -4.112 623 2HD1 ILE 76 2HD1 ILE 76 -16.568 -5.386 -5.256 624 3HD1 ILE 76 3HD1 ILE 76 -18.111 -4.706 -5.774 625 H ASN 77 H ASN 77 -15.147 -1.879 -0.649 626 HA ASN 77 HA ASN 77 -12.499 -1.117 -0.306 627 1HB ASN 77 2HB ASN 77 -14.017 -2.901 1.599 628 2HB ASN 77 1HB ASN 77 -12.736 -1.756 1.987 629 1HD2 ASN 77 1HD2 ASN 77 -13.244 0.545 1.314 630 2HD2 ASN 77 2HD2 ASN 77 -14.841 1.106 1.657 631 H HIS 78 H HIS 78 -10.952 -2.637 1.057 632 HA HIS 78 HA HIS 78 -10.198 -4.753 -0.754 633 1HB HIS 78 2HB HIS 78 -8.868 -4.098 1.871 634 2HB HIS 78 1HB HIS 78 -8.158 -4.864 0.454 635 HD1 HIS 78 HD1 HIS 78 -9.424 -1.492 1.615 636 HD2 HIS 78 HD2 HIS 78 -7.003 -3.142 -1.333 637 HE1 HIS 78 HE1 HIS 78 -8.341 0.462 0.463 638 HE2 HIS 78 HE2 HIS 78 -6.808 -0.563 -1.253 639 H THR 79 H THR 79 -11.830 -4.474 2.281 640 HA THR 79 HA THR 79 -12.777 -5.987 3.684 641 HB THR 79 HB THR 79 -13.764 -7.899 2.743 642 HG1 THR 79 HG1 THR 79 -11.875 -7.877 0.637 643 1HG2 THR 79 1HG2 THR 79 -13.332 -6.215 0.296 644 2HG2 THR 79 2HG2 THR 79 -14.449 -5.784 1.591 645 3HG2 THR 79 3HG2 THR 79 -14.699 -7.266 0.669 646 H THR 80 H THR 80 -10.274 -5.642 4.356 647 HA THR 80 HA THR 80 -8.481 -6.528 5.437 648 HB THR 80 HB THR 80 -8.855 -8.411 6.791 649 HG1 THR 80 HG1 THR 80 -10.901 -9.293 5.047 650 1HG2 THR 80 1HG2 THR 80 -11.691 -8.187 6.697 651 2HG2 THR 80 2HG2 THR 80 -10.975 -6.587 6.507 652 3HG2 THR 80 3HG2 THR 80 -10.564 -7.577 7.908 653 H LEU 81 H LEU 81 -7.412 -9.105 5.520 654 HA LEU 81 HA LEU 81 -6.094 -9.203 2.989 655 1HB LEU 81 2HB LEU 81 -5.957 -11.182 5.262 656 2HB LEU 81 1HB LEU 81 -4.814 -11.032 3.940 657 HG LEU 81 HG LEU 81 -5.308 -8.846 5.956 658 1HD1 LEU 81 1HD1 LEU 81 -2.822 -10.443 6.028 659 2HD1 LEU 81 2HD1 LEU 81 -4.278 -11.202 6.671 660 3HD1 LEU 81 3HD1 LEU 81 -3.717 -9.669 7.338 661 1HD2 LEU 81 1HD2 LEU 81 -3.106 -9.305 3.947 662 2HD2 LEU 81 2HD2 LEU 81 -3.170 -7.989 5.119 663 3HD2 LEU 81 3HD2 LEU 81 -4.379 -8.089 3.839 664 H LYS 82 H LYS 82 -9.051 -10.392 3.937 665 HA LYS 82 HA LYS 82 -9.244 -12.975 3.048 666 1HB LYS 82 2HB LYS 82 -11.029 -11.054 3.835 667 2HB LYS 82 1HB LYS 82 -11.467 -11.278 2.146 668 1HG LYS 82 2HG LYS 82 -11.136 -13.630 3.964 669 2HG LYS 82 1HG LYS 82 -12.638 -12.705 3.936 670 1HD LYS 82 2HD LYS 82 -13.052 -13.240 1.685 671 2HD LYS 82 1HD LYS 82 -11.393 -13.781 1.423 672 1HE LYS 82 2HE LYS 82 -13.329 -15.148 3.283 673 2HE LYS 82 1HE LYS 82 -13.092 -15.617 1.601 674 1HZ LYS 82 1HZ LYS 82 -10.678 -15.407 3.196 675 2HZ LYS 82 2HZ LYS 82 -11.125 -16.575 2.057 676 3HZ LYS 82 3HZ LYS 82 -11.728 -16.659 3.636 677 H ILE 83 H ILE 83 -8.928 -10.063 1.127 678 HA ILE 83 HA ILE 83 -9.694 -11.148 -1.363 679 HB ILE 83 HB ILE 83 -8.211 -9.310 -2.322 680 1HG1 ILE 83 2HG1 ILE 83 -8.130 -8.247 0.484 681 2HG1 ILE 83 1HG1 ILE 83 -6.841 -9.292 -0.105 682 1HG2 ILE 83 1HG2 ILE 83 -10.552 -8.897 -0.523 683 2HG2 ILE 83 2HG2 ILE 83 -10.440 -8.755 -2.277 684 3HG2 ILE 83 3HG2 ILE 83 -9.757 -7.498 -1.245 685 1HD1 ILE 83 1HD1 ILE 83 -6.374 -7.725 -1.900 686 2HD1 ILE 83 2HD1 ILE 83 -6.275 -6.934 -0.326 687 3HD1 ILE 83 3HD1 ILE 83 -7.691 -6.688 -1.349 688 H LEU 84 H LEU 84 -6.683 -11.196 0.429 689 HA LEU 84 HA LEU 84 -5.031 -12.110 -1.678 690 1HB LEU 84 2HB LEU 84 -4.809 -12.276 1.320 691 2HB LEU 84 1HB LEU 84 -3.592 -12.962 0.261 692 HG LEU 84 HG LEU 84 -3.734 -10.444 -0.734 693 1HD1 LEU 84 1HD1 LEU 84 -4.817 -10.374 1.997 694 2HD1 LEU 84 2HD1 LEU 84 -4.995 -9.225 0.671 695 3HD1 LEU 84 3HD1 LEU 84 -3.536 -9.210 1.662 696 1HD2 LEU 84 1HD2 LEU 84 -1.629 -11.277 -0.307 697 2HD2 LEU 84 2HD2 LEU 84 -2.025 -11.726 1.351 698 3HD2 LEU 84 3HD2 LEU 84 -1.771 -10.031 0.933 699 H GLU 85 H GLU 85 -6.971 -13.740 0.769 700 HA GLU 85 HA GLU 85 -6.130 -16.370 0.180 701 1HB GLU 85 2HB GLU 85 -7.720 -15.242 2.089 702 2HB GLU 85 1HB GLU 85 -8.919 -16.036 1.078 703 1HG GLU 85 2HG GLU 85 -8.468 -17.959 2.061 704 2HG GLU 85 1HG GLU 85 -6.808 -17.871 1.472 705 H GLY 86 H GLY 86 -8.326 -14.184 -1.370 706 1HA GLY 86 2HA GLY 86 -9.787 -16.171 -2.831 707 2HA GLY 86 1HA GLY 86 -9.789 -14.440 -3.135 708 H HIS 87 H HIS 87 -6.927 -14.200 -3.470 709 HA HIS 87 HA HIS 87 -5.913 -15.968 -5.398 710 1HB HIS 87 2HB HIS 87 -6.171 -14.586 -7.438 711 2HB HIS 87 1HB HIS 87 -7.709 -15.188 -6.830 712 HD1 HIS 87 HD1 HIS 87 -7.055 -12.525 -8.601 713 HD2 HIS 87 HD2 HIS 87 -8.172 -12.739 -4.605 714 HE1 HIS 87 HE1 HIS 87 -8.073 -10.289 -8.067 715 HE2 HIS 87 HE2 HIS 87 -8.832 -10.478 -5.672 716 H LEU 88 HN LEU 88 -4.244 -15.431 -3.803 717 HA LEU 88 HA LEU 88 -2.357 -13.605 -4.869 718 1HB LEU 88 2HB LEU 88 -4.143 -12.256 -3.424 719 2HB LEU 88 1HB LEU 88 -3.106 -12.782 -2.112 720 HG LEU 88 HG LEU 88 -2.508 -10.543 -2.879 721 1HD1 LEU 88 1HD1 LEU 88 -0.805 -12.515 -2.263 722 2HD1 LEU 88 2HD1 LEU 88 -0.286 -10.872 -2.640 723 3HD1 LEU 88 3HD1 LEU 88 -0.224 -12.123 -3.881 724 1HD2 LEU 88 1HD2 LEU 88 -1.436 -11.537 -5.449 725 2HD2 LEU 88 2HD2 LEU 88 -2.108 -9.961 -5.031 726 3HD2 LEU 88 3HD2 LEU 88 -3.183 -11.323 -5.346
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